# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-12T18:51:15+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 21 21 21' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1000001","48.48","","21.72","","10.74","","90","","90","","90","","11309.1","","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C107 H142 N14 O26 -","- C107 H142 N14 O26 -","- C428 H568 N56 O104 -","4","1","","Bachet, Bernard; Soyer, Alain; Billy, Isabelle; Mornon, Jean-Paul","Pristinamycin complex solved using Shake-and-Bake","","","","","","","","","","1.5418","CuKα","","","0.0771","","","","0.0827","","","","","","5.0878","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000006","10.93","0.0009","12.7162","0.0011","15.7085","0.0013","90","","90","","90","","2183.3","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","tetracycline hydrochloride","","","- C22 H25 Cl N2 O8 -","- C22 H25 Cl N2 O8 -","- C88 H100 Cl4 N8 O32 -","4","1","","Armel Le Bail","","Personal Communication to COD","","","","","","","","","0.6883","synchrotron","","0.0633","0.0502","","","0.1116","0.1161","","","","","","0.969","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1000129","13.7168","0.0003","5.6054","0.0002","4.9329","0.0001","90","","90","","90","","379.3","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Barium catena-pentafluoroaluminate - α","","- Al Ba F5 -","- Al Ba F5 -","- Al4 Ba4 F20 -","4","1","","Le Bail, A.; Ferey, G.; Mercier, A.-M.; de Kozak, A.; Samouel, M.","Structure determination of β- and γ-BaAlF~5~ by X-ray and neutron powder diffraction: a model for the α→ β ←→ γ transitions","Journal of Solid State Chemistry","1990","89","","282","291","10.1016/0022-4596(90)90269-4","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","189449","2020-10-21","18:00:00",""
"1000136","7.1362","0.0002","9.9084","0.0003","12.9414","0.0004","90","","90","","90","","915.1","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dipotassium tecto-titanotrisilicate hydrate","","- H2 K2 O10 Si3 Ti -","- H2 K2 O10 Si3 Ti -","- H8 K8 O40 Si12 Ti4 -","4","1","","Dadachov, M S; Le Bail, A","Structure of zeolitic K2 Ti Si3 O9 . (H2 O) determined ab initio from powder diffraction data","European Journal of Solid State Inorganic Chemistry","1997","34","","381","390","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000306","5.4053","0.0003","9.3103","0.0005","10.3823","0.0008","90","","90","","90","","522.5","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sodium strontium iron(III) hexafluoride","","- F6 Fe Na Sr -","- F6 Fe Na Sr -","- F24 Fe4 Na4 Sr4 -","4","1","","Hemon, A.; Courbion, G.","Synthesis and crystal structures of β-NaSrCrF~6~ and NaSrFeF~6~. Structural correlations with A~2~MF~6~ compounds","European Journal of Solid State and Inorganic Chemistry","1992","29","","519","531","","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","200144","2020-10-21","18:00:00",""
"1000349","9.593","0.002","9.742","0.002","9.981","0.002","90","","90","","90","","932.8","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ammonium oxonium gallium phosphate hydroxide fluoride *","","- F0.5 Ga H4.43 N0.93 O4.57 P -","- F0.5 Ga H8.86 N0.93 O4.57 P -","- F4 Ga8 H70.88 N7.44 O36.56 P8 -","8","2","","Ferey, G; Loiseau, T; Lacorre, P; Taulelle, F","Oxyfluorinated microporous compounds. I. Crystal structure of (NH~4~)~0.93~(H~3~O)~0.07~GaPO~4~(OH)~0.5~ F~0.5~: reexamination of the structure of AlPO~4~-CJ2","Journal of Solid State Chemistry","1993","105","","179","190","10.1006/jssc.1993.1206","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000350","9.416","0.008","9.563","0.005","9.933","0.004","90","","90","","90","","894.4","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ammonium oxonium alumimium phosphate hydroxide fluoride *","","- Al F0.675 H4.205 N0.88 O4.445 P -","- Al F0.675 H8.41 N0.88 O4.445 P -","- Al8 F5.4 H67.28 N7.04 O35.56 P8 -","8","2","","Ferey, G; Loiseau, T; Lacorre, P; Taulelle, F","Oxyfluorinated microporous compounds. I. Crystal structure of (NH~4~)~0.93~(H~3~O)~0.07~GaPO~4~(OH)~0.5~ F~0.5~: reexamination of the structure of AlPO~4~-CJ2","Journal of Solid State Chemistry","1993","105","","179","190","10.1006/jssc.1993.1206","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000488","12.026","0.001","12.199","0.001","4.666","0.001","90","","90","","90","","684.5","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Strontium dialuminium bis(phosphate(V)) difluoride","","- Al2 F2 O8 P2 Sr -","- Al2 F2 O8 P2 Sr -","- Al8 F8 O32 P8 Sr4 -","4","1","","Le Meins, J.-M.; Courbion, G.","Hydrothermal synthesis and crystal structure of SrAl~2~(PO~4~)~2~F~2~: a new three-dimensional framework with channels delimited by a helical anionic border","European Journal of Solid State and Inorganic Chemistry","1998","35","10-11","639","653","10.1016/S0992-4361(99)80005-8","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","182184","2020-10-21","18:00:00",""
"1001209","5.285","0.002","6.569","0.001","17.351","0.003","90","","90","","90","","602.4","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phosphorus tungsten oxide (4/8/32)","","- O32 P4 W8 -","- O32 P4 W8 -","- O32 P4 W8 -","1","0.25","","Giroult, J P; Goreaud, M; Labbe, P H; Raveau, B","P~4~ W~8~ O~32~: A mixed-valence tunnel structure built up of Re O~3~ - type slabs connected through P O~4~ tetrahedra","Acta Crystallographica B (24,1968-38,1982)","1981","37","","2139","2142","10.1107/S0567740881008248","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001335","5.2927","0.0007","6.5604","0.0007","23.549","0.003","90","","90","","90","","817.7","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phosphorus tungsten oxide (1/3/11)","","- O11 P W3 -","- O11 P W3 -","- O44 P4 W12 -","4","1","","Labbe, P; Goreaud, M; Raveau, B","Monophosphate tungsten bronzes with pentagonal tunnels (P O~2~)~4~ (W O~3~)~2m~: Structure of two even-m members P~4~ W~12~ O~44~ (m=6) and P~4~ W~16~ O~56~ (m=8)","Journal of Solid State Chemistry","1986","61","","324","331","10.1016/0022-4596(86)90038-1","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001336","5.2943","0.0005","6.5534","0.0004","29.7","0.004","90","","90","","90","","1030.5","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phosphorus tungsten oxide (1/4/14)","","- O14 P W4 -","- O14 P W4 -","- O56 P4 W16 -","4","1","","Labbe, P; Goreaud, M; Raveau, B","Monophosphate tungsten bronzes with pentagonal tunnels (P O~2~)~4~ (W O~3~)~2m~: Structure of two even-m members P~4~ W~12~ O~44~ (m=6) and P~4~ W~16~ O~56~ (m=8)","Journal of Solid State Chemistry","1986","61","","324","331","10.1016/0022-4596(86)90038-1","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001593","7.8654","0.0005","10.0104","0.0007","16.2715","0.0008","90","","90","","90","","1281.1","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Potassium tecto-vanadatophosphate *","","- K O17 P4 V3 -","- K O17 P4 V3 -","- K4 O68 P16 V12 -","4","1","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Raveau, B","A new mixed-valence vanadium phosphate with an intersecting tunnel structure: KV~3~P~4~O~17~","Journal of Solid State Chemistry","1992","97","","131","140","10.1016/0022-4596(92)90017-P","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001821","5.312","0.001","6.5557","0.0008","42.196","0.008","90","","90","","90","","1469.4","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phosphorus tungsten oxide (4/24/80)","","- O80 P4 W24 -","- O80 P4 W24 -","- O80 P4 W24 -","1","0.25","","Roussel, P; Mather, G; Domenges, B; Groult, D; Labbe, P","Structural investigation of P4 W24 O80: A new monophosphate tungsten bronze","Acta Crystallographica B (39,1983-)","1998","54","","365","375","","","","","","","0.0284","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004030","9.976","0.004","10.359","0.006","12.98","0.01","90","","90","","90","","1341.4","1.4","293","2","293","2","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H17 N O10 P2 Zn -","- C5 H17 N O10 P2 Zn -","- C20 H68 N4 O40 P8 Zn4 -","4","1","","Simon, A.; Josien, L.; Gramlich, V.; Patarin, J.","Synthesis and characterization of Mu-19, a new zincophosphate with a three dimensional 12-membered ring channel system","Microporous and Mesoporous Materials","2001","47","2-3","135","146","10.1016/S1387-1811(01)00312-2","","","0.71073","MoKα","","0.0233","0.0222","","0.0572","0.0569","","","","1.126","1.159","1.159","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1004043","9.886","0.003","6.617","0.002","10.322","0.003","90","","90","","90","","675.2","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Sodium tetrachloroaluminate","","- Al Cl4 Na -","- Al Cl4 Na -","- Al4 Cl16 Na4 -","4","1","","Mairesse, G; Barbier, P; Wignacourt, J P","Comparison of the crystal structures of alkaline (M = Li, Na, K, Rb, Cs) and Pseudo-alkaline (M = N O, N H~4~) Tetrachloroaluminates, M Al Cl~4~","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1573","1580","10.1107/S0567740879007160","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004059","10.322","0.003","9.886","0.003","6.167","0.002","90","","90","","90","","629.3","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Sodium tetrachloroaluminate","","- Al Cl4 Na -","- Al Cl4 Na -","- Al4 Cl16 Na4 -","4","1","","Wallart, F; Lorriaux-Rubbens, A; Mairesse, G; Barbier, P; Wignacourt, J P","Etude Structurale du Tetrachloroaluminate de Sodium: Comparaison des Spectres de Diffusion Raman de la Famille des M Al Cl~4~ (M= Li, Na, K, Rb, Cs, NO, NH~4~) a l'Etat Solide","Journal of Raman Spectroscopy","1980","9","","55","61","10.1002/jrs.1250090113","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004069","10.322","0.003","9.886","0.003","6.167","0.002","90","","90","","90","","629.3","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","SODIUM TETRACHLOROALUMINATE","","- Al Cl4 Na -","- Al Cl4 Na -","- Al4 Cl16 Na4 -","4","1","","Wallart, F; Lorriaux-Rubbens, A; Mairesse, G; Barbier, P; Wignacourt, J P","Etude structurale du tetrachloroaluminate de sodium. Comparaison des spectres de diffusion raman de la famille des M Al Cl~4~ (M=Li, Na, K, Rb, Cs, No, Nh~4~,) a l'etat solide","Journal of Raman Spectroscopy","1980","9","","55","61","10.1002/jrs.1250090113","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004124","5.2099","0.0003","8.248","0.001","10.206","0.002","90","","90","","90","","438.6","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Thallium(I) triborate","","- B3 O5 Tl -","- B3 O5 Tl -","- B12 O20 Tl4 -","4","1","","Touboul, M; Betourne, E; Nowogrocki, G","Crystal structure of thallium triborate, Tl B3 O5","Journal of Solid State Chemistry","1997","131","","370","373","10.1006/jssc.1997.7399","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1005021","6.159","0.001","10.305","0.002","15.292","0.003","90","","90","","90","","970.6","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentabarium disilicon nitride","","- Ba5 N6 Si2 -","- Ba5 N6 Si2 -","- Ba20 N24 Si8 -","4","1","","Yamane, H; DiSalvo, F J","Preparation and crystal structure of a new barium silicon nitride, Ba5 Si2 N6","Journal of Alloys Compd.","1996","240","","33","36","10.1016/0925-8388(96)02242-6","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007050","4.51","0.002","13.44","0.02","8.36","0.05","90","","90","","90","","506.7","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Barium catena-phosphate","","- Ba O6 P2 -","- Ba O6 P2 -","- Ba4 O24 P8 -","4","1","","Grenier, J C; Martin, C; Durif, A; Tranqui, D; Guitel, J C","Une nouvelle forme du metaphosphate de baryum Ba (P O~3~)~2~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1967","90","","24","31","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007151","11.164","0.006","12.46","0.01","5.622","0.002","90","","90","","90","","782","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Mercury potassium trimetaphosphate","","- Hg K O9 P3 -","- Hg K O9 P3 -","- Hg4 K4 O36 P12 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Structure of mercury potassium trimetaphosphate","Acta Crystallographica C (39,1983-)","1986","42","","930","931","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007221","14.038","0.003","13.906","0.008","9.961","0.002","90","","90","","90","","1944.5","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triguanidinium phosphate - guanidinium chloride - water (1/1/2)","","- C4 H28 Cl N12 O6 P -","- C4 H28 Cl N12 O6 P -","- C16 H112 Cl4 N48 O24 P4 -","4","1","","Averbuch-Pouchot, M.-T.; Durif, A.","Synthesis and crystal structure of an adduct between guanidinium monophosphate and guanidinium chloride: [C(NH2)3]3PO4 · [C(NH2)3]Cl · 2H2O","Comptes Rendus de l'Academie des Sciences, Serie II: Mecanique, Physique, Chimie, Sciences de la Terre et de l'Univers","1993","317","9","1179","1184","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","199772","2020-10-21","18:00:00",""
"1007241","8.703","","8.197","","8.613","","90","","90","","90","","614.4","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Lithium copper catena-phosphate","","- Cu Li O9 P3 -","- Cu Li O9 P3 -","- Cu4 Li4 O36 P12 -","4","1","","Laugt, M; Durif, A","Etude systematique des phosphates condenses","Seminaire de Chimie de l'Etat Solide 1971-72","1972","1972","","157","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007263","7.855","0.001","8.61","0.002","11.399","0.004","90","","90","","90","","770.9","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Beryllium potassium tris(phosphate(V))","","- Be K O9 P3 -","- Be K O9 P3 -","- Be4 K4 O36 P12 -","4","1","","Durif, A; Averbuch-Pouchot, M T; Guitel, J C","Crystal structure of a beryllium-potassium polyphosphate: Be K (P O3)3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1986","177","","139","142","","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008047","4.891","0.001","9.553","0.002","8.786","0.002","90","","90","","90","","410.5","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Iron vanadium oxide hydroxide *","","- Fe H0.5 O6 V2 -","- Fe H0.5 O6 V2 -","- Fe4 H2 O24 V8 -","4","1","","Muller, J; Joubert, J C; Marezio, M","Synthese et structure cristalline d'un nouvel oxyde mixte Fe V~2~ O~6~ H~0.5~. Relation avec la structure type Diaspore","Journal of Solid State Chemistry","1979","27","","367","382","10.1016/0022-4596(79)90179-8","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008552","7.275","0.002","9.452","0.001","13.569","0.002","90","","90","","90","","933","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dicaesium oxotitanium diphosphate","","- Cs2 O8 P2 Ti -","- Cs2 O8 P2 Ti -","- Cs8 O32 P8 Ti4 -","4","1","","Protas, J; Menaert, B; Marnier, G; Boulanger, B","Structure cristalline de Cs~2~TiO(P~2~O~7~)","Acta Crystallographica C (39,1983-)","1991","47","","698","701","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010147","10.15","","12.07","","4.31","","90","","90","","90","","528","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Arsenic bromide","","- As Br3 -","- As Br3 -","- As4 Br12 -","4","1","","Braekken, H","Die Kristallstruktur von Arsen- und Antimontribromid","Kongelige Norske Videnskapers Selskab, Forhandlinger","1935","8","","3","3","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010763","19.48","0.02","4.15","0.05","7.86","0.03","90","","90","","90","","635.4","","","","","","","","","","","","from Binnenthal, Switzerland","3","P 21 21 21","P 2ac 2ab","19","","Lead diarsenic sulfide","Sartorite","- As2 Pb S4 -","","","4","1","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1011223","5.16","","8.53","","4.92","","90","","90","","90","","216.6","","","","","","","","","","","","synthetic by precipitation","3","P 21 21 21","P 2ac 2ab","19","","Zinc hydroxide","Wuelfingite","- H2 O2 Zn -","- H2 O2 Zn -","- H8 O8 Zn4 -","4","1","","Corey, R B; Wyckoff, R W G","The crystal structure of zinc hydroxide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","86","","8","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011297","11.86","","12.08","","6.81","","90","","90","","90","","975.7","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Nickel sulfate(VI) heptahydrate","Morenosite","- H14 Ni O11 S -","- H14 Ni O11 S -","- H56 Ni4 O44 S4 -","4","1","","Beevers, C A; Schwartz, C M","The crystal structure of nickel sulphate heptahydrate Ni S O4 (H2 O)7","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","91","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1100089","11.868","0.01","11.996","0.01","6.857","0.007","90","","90","","90","","976.2","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Magnesium sulfate heptahydrate","Epsomite","- H14 Mg O11 S -","- H14 Mg O11 S -","- H56 Mg4 O44 S4 -","4","1","","Ferraris, Giovanni; Jones, Derry W.; Yerkess, Jack","Refinement of the crystal structure of magnesium sulphate heptahydrate (epsomite) by neutron diffraction","Journal of the Chemical Society, Dalton Transactions: Inorganic Chemistry (1972-1999)","1973","1973","8","816","821","10.1039/dt9730000816","","","","","","","","","","","","","","","","","","","","","has coordinates","200381","2020-10-21","18:00:00",""
"1100091","11.868","0.01","11.996","0.01","6.857","0.007","90","","90","","90","","976.2","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Magnesium sulfate heptahydrate","Epsomite","- H14 Mg O11 S -","- H14 Mg O11 S -","- H56 Mg4 O44 S4 -","4","1","","Baur, W H","On the Crystal Chemistry of Salt Hydrates. IV. The Refinement of the Crystal Structure of Mg S O4 (H2 O)7 (Epsomite)","Acta Crystallographica (1,1948-23,1967)","1964","17","","1361","1369","10.1107/S0365110X64003449","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1100101","11.887","0.002","12.013","0.002","6.861","0.001","90","","90","","90","","979.7","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","Magnesium sulfate heptahydrate","Epsomite","- H14 Mg O11 S -","- H14 Mg O11 S -","- H56 Mg4 O44 S4 -","4","1","","Calleri, M.; Gavetti, A.; Ivaldi, G.; Rubbo, M.","Synthetic epsomite, MgSO~4~ . 7H~2~O: absolute configuration and surface features of the complementary {111} forms","Acta Crystallographica Section B","1984","40","3","218","222","10.1107/S0108768184002019","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1100173","9.3531","0.0011","10.5002","0.0013","15.9","0.002","90","","90","","90","","1561.53","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O4 -","- C15 H22 N2 O4 -","- C60 H88 N8 O16 -","4","1","","Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus","Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone","European Journal of Organic Chemistry","1999","1999","11","2977","2990","10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3","","","","","","","","","","","","","","","","","","","","","has coordinates","177980","2020-10-21","18:00:00",""
"1100183","8.52","0.001","12.123","0.001","24.105","0.001","90","","90","","90","","2489.76","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Menthan-7-yl 2,4,7-trimethyl-2,4-trimethylene-5-pentane lactam-7-carboxylate d ichloromethane solvate","","- C23 H39 Cl2 N O3 -","- C23 H39 Cl2 N O3 -","- C92 H156 Cl8 N4 O12 -","4","1","","T.Bach; H.Bergmann; K.Harms","","Angew.Chem.,Int.Ed.Engl.","2000","39","","2302","","10.1002/1521-3773(20000703)39:13<2302::AID-ANIE2302>3.0.CO;2-6","","","","","","","6.08","","","6.08","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100189","7.6041","0.0008","15.9342","0.0011","16.4592","0.0011","90","","90","","90","","1994.28","","","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ent-1,5,7-Trimethyl-7-(5',6',7',8'-tetrahydro-1'-oxa-3'-azacyclopenta(b)naphthalen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one hydrate","","- C22 H28.66 N2 O2.33 -","- C26 H38 N2 O3 -","- C104 H152 N8 O12 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt","Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution","Synthesis","2001","2001","9","1395","1405","10.1055/s-2001-15231","","","","","","","3.05","","","3.05","","","","","","","","","","","has coordinates","178092","2020-10-21","18:00:00",""
"1100190","7.6183","0.0002","16.092","0.0006","16.4887","0.0006","90","","90","","90","","2021.41","","","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ent-1,5,7-Trimethyl-7-(5',6',7',8'-tetrahydro-1'-oxa-3'-azacyclopenta(b)naphthalen-2'-yl)-3-azabicyclo(3.3.1)nonan-2-one hydrate","","- C22 H28.66 N2 O2.33 -","- C26 H38 N2 O3 -","- C104 H152 N8 O12 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Grosch, Benjamin; Harms, Klaus; Herdtweck, Eberhardt","Synthesis of Enantiomerically Pure 1,5,7-Trimethyl-3-azabicyclo[3.3.1]nonan-2-ones as Chiral Host Compounds for Enantioselective Photochemical Reactions in Solution","Synthesis","2001","2001","9","1395","1405","10.1055/s-2001-15231","","","","","","","3.06","","","3.06","","","","","","","","","","","has coordinates","178092","2020-10-21","18:00:00",""
"1100208","7.121","0.001","12.333","0.002","12.571","0.002","90","","90","","90","","1104.03","","","","223","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aminotriethylphosphonium iodide","","- C6 H17 I N P -","- C6 H17 I N P -","- C24 H68 I4 N4 P4 -","4","1","","Chitsaz, S.; Folkerts, H.; Grebe, J.; Gröb, T.; Harms, K.; Hiller, W.; Krieger, M.; Massa, W.; Merle, J.; Möhlen, M.; Neumüller, B.; Dehnicke, K.","Die Kristallstrukturen einer Serie von Verbindungen mit Kationen des Typs [R~3~PNH~2~]^+^, [R3PN(H)SiMe~3~]^+^ und [R3PN(SiMe~3~)~2~]^+^","Zeitschrift für Anorganische und Allgemeine Chemie","2000","626","3","775","783","10.1002/(sici)1521-3749(200003)626:3<775::aid-zaac775>3.0.co;2-h","","","","","","","5.76","","","5.76","","","","","","","","","","","has coordinates","177560","2020-10-21","18:00:00",""
"1100249","7.2624","0.0004","8.541","0.0005","30.4681","0.0018","90","","90","","90","","1889.88","","","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Neomenthyloxycarbonyl-7-azatricyclo(4.2.2.1^2,5^)undec-3,9-dien-8-one","","- C21 H29 N O3 -","- C21 H29 N O3 -","- C84 H116 N4 O12 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Harms, Klaus","Enantioselective Photochemical Reactions of 2-Pyridones in Solution","Organic Letters","2001","3","4","601","603","10.1021/ol007004t","","","","","","","3.44","","","3.44","","","","","","","","","","","has coordinates","177549","2020-10-21","18:00:00",""
"1100250","10.0153","0.001","16.3832","0.0016","17.871","0.002","90","","90","","90","","2932.32","","","","193","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,2,2',2',2'',2'',2''',2''',5,5',5'',5'''-Dodecamethyl-4,4':6',4'':6'',4'''-qu ater-1,3-dioxane","","- C28 H50 O8 -","- C28 H50 O8 -","- C112 H200 O32 -","4","1","","K.Harms","","Private Communication","2002","","","","","","","","","","","","6.84","","","6.84","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100264","5.753","0.001","8.297","0.001","25.098","0.002","90","","90","","90","","1197.99","","","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(S)-4-Aminophenyl-4-methylphenylsulfoxide","","- C13 H13 N O S -","- C13 H13 N O S -","- C52 H52 N4 O4 S4 -","4","1","","Reichardt, Christian; Erfurt, Hans-Peter; Harms, Klaus; Schäfer, Gerhard","Syntheses, Absolute Configurations, and UV/Vis Spectroscopic Properties of New Chiral Tri- and Pentamethinium Streptocyanine Dyes with 4-Aminophenyl 4-Methylphenyl Sulfoxide Endgroups","European Journal of Organic Chemistry","2002","2002","3","439","452","10.1002/1099-0690(20022)2002:3<439::AID-EJOC439>3.0.CO;2-B","","","","","","","4.79","","","4.79","","","","","","","","","","","has coordinates","176878","2020-10-21","18:00:00",""
"1100277","6.056","0.001","14.434","0.006","21.298","0.004","90","","90","","90","","1861.71","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O8 -","- C19 H24 O8 -","- C76 H96 O32 -","4","1","","Harms, K.; Sheldrick, G. M.; Glüsenkamp, K.-H.; Tietze, L.-F.","An enantiospecific hetero Diels-Alder product","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","9","1268","1269","10.1107/S0108270186092636","","","","","","","","","","","","","","","","","","","","","has coordinates","176922","2020-10-21","18:00:00",""
"1100282","8.424","0.001","14.773","0.002","22.165","0.002","90","","90","","90","","2758.38","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 O7 -","- C31 H32 O7 -","- C124 H128 O28 -","4","1","","Harms, K.; Sheldrick, G. M.; Glüsenkamp, K. H.; Tietze, L. F.","Structure of a photolysis product","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","9","1269","1271","10.1107/S0108270186092624","","","","","","","","","","","","","","","","","","","","","has coordinates","176916","2020-10-21","18:00:00",""
"1100284","7.779","0.006","9.332","0.003","19.627","0.009","90","","90","","90","","1424.8","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Harms, K.; Sheldrick, G. M.; Tietze, L.-F.","Stereochemistry of a hetero-Diels-Alder product","Acta Crystallographica, Section C: Crystal Structure Communications","1986","42","11","1664","1665","10.1107/S0108270186091035","","","","","","","","","","","","","","","","","","","","","has coordinates","176923","2020-10-21","18:00:00",""
"1100292","8.116","0.004","9.684","0.004","13.998","0.006","90","","90","","90","","1100.18","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","1","","Harms, K.; Jones, P. G.; Sheldrick, G. M.; Tietze, L. F.; Uzar, H. C.","Methyl (1S,5S,6S,7R)-6-formyl-7-methyl-2,8-dioxabicyclo[3.3.1]non-3-ene-4-carboxylate","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3156","3157","10.1107/S0567740880011120","","","","","","","","","","","","","","","","","","","","","has coordinates","176912","2020-10-21","18:00:00",""
"1100309","7.44","0.002","11.609","0.002","12.295","0.003","90","","90","","90","","1061.93","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 Cl N O -","- C9 H20 Cl N O -","- C36 H80 Cl4 N4 O4 -","4","1","","Harms, K.; Sheldrick, G. M.; Fischer, R.; Tietze, L. F.","[(1RS,2RS,3SR)-3-Hydroxy-2-methylcyclopentyl]trimethylammonium chloride","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1980","36","12","3206","3208","10.1107/S0567740880011338","","","","","","","","","","","","","","","","","","","","","has coordinates","176910","2020-10-21","18:00:00",""
"1100312","15.141","0.002","15.338","0.002","20.827","0.002","90","","90","","90","","4836.71","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H64 Li2 N2 O2 -","- C56 H64 Li2 N2 O2 -","- C224 H256 Li8 N8 O8 -","4","1","","Ahlbrecht, Hubertus; Boche, Gernot; Harms, Klaus; Marsch, Michael; Sommer, Horst","Chirale Homoenolat-Äquivalente, IV. Kristallstruktur einer chiralen 1-Aminoallyllithium-Verbindung: dimeres, intramolekular chelatisiertes (3S)-3-Lithio-1-[(S)-2-(methoxymethyl)pyrrolidino]-1,3-diphenylpropen","Chemische Berichte","1990","123","9","1853","1858","10.1002/cber.19901230917","","","","","","","","","","","","","","","","","","","","","has coordinates","177149","2020-10-21","18:00:00",""
"1100314","9.939","0.002","8.52","0.002","23.674","0.001","90","","90","","90","","2004.72","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O4 -","- C20 H28 N2 O4 -","- C80 H112 N8 O16 -","4","1","","Priepke, Henning; Brückner, Reinhard; Harms, Klaus","Asymmetric Induction in the Wittig-Still Rearrangement of Ethers Containing an Allylic Stereocenter ‒ Diastereocontrol by Allylic Nitrogen","Chemische Berichte","1990","123","3","555","563","10.1002/cber.19901230323","","","","","","","","","","","","","","","","","","","","","has coordinates","177562","2020-10-21","18:00:00",""
"1100319","9.695","0.004","12.819","0.003","13.696","0.006","90","","90","","90","","1702.14","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cl4 O2 Sn -","- C12 H16 Cl4 O2 Sn -","- C48 H64 Cl16 O8 Sn4 -","4","1","","Reetz, M. T.; Harms, K.; Reif, W.","An X-ray structural analysis of a chiral α-alkoxy-ketone/SnCl~4~ chelate","Tetrahedron Letters","1988","29","46","5881","5884","10.1016/s0040-4039(00)82215-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176932","2020-10-21","18:00:00",""
"1100324","15.595","0.002","18.672","0.004","19.023","0.005","90","","90","","90","","5539.3","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H71 Co N6 O14 -","- C54 H71 Co N6 O15 -","- C216 H284 Co4 N24 O60 -","4","1","","Battersby, A. R.; Grgurina, I.; Raithby, P. R.; Egert, E.; Harms, K.; Sheldrick, G. M.","Structure of dicyano-15-norcobyrinic acid heptamethyl ester","Acta Crystallographica, Section C: Crystal Structure Communications","1989","45","10","1589","1593","10.1107/S0108270189002969","","","","","","","","","","","","","","","","","","","","","has coordinates","176924","2020-10-21","18:00:00",""
"1100329","9.466","0.003","12.907","0.003","21.268","0.003","90","","90","","90","","2598.47","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 Li N3 O -","- C28 H44 Li N3 O -","- C112 H176 Li4 N12 O4 -","4","1","","Boche, Gernot; Marsch, Michael; Harbach, Jürgen; Harms, Klaus; Ledig, Burkhard; Schubert, Frank; Lohrenz, John C. W.; Ahlbrecht, Hubertus","[α-(Dimethylamino)benzyllithium‒Diethyl Ether]~2~, (S)-α-(Methylpivaloylamino)benzyllithium ‒ (‒)-Sparteine, and [3-Iodo-2-lithio-1-methylindole ‒ 2 Tetrahydrofuran]~2~: Crystal Structure Investigations of α-Lithiated Amines","Chemische Berichte","1993","126","8","1887","1894","10.1002/cber.19931260820","","","","","","","","","","","","","","","","","","","","","has coordinates","177573","2020-10-21","18:00:00",""
"1100341","13.312","0.001","13.874","0.001","15.717","0.001","90","","90","","90","","2902.78","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 N5 Na O -","- C26 H46 N7 Na3 O -","- C104 H184 N28 Na12 O4 -","4","1","","Hiller, Wolfgang; Frey, Stephanie; Strähle, Joachim; Boche, Gernot; Zarges, Wolfgang; Harms, Klaus; Marsch, Michael; Wollert, René; Dehnicke, Kurt","Die Kristallstrukturen von {Li~3~(12-Krone-4)~2~[HC(CN)~2~]~3~}, {Na(15-Krone-5)-[HC(CN)~2~]} und {Na[N(nBu)~4~][HC(CN)~2~]~2~ · THF}","Chemische Berichte","1992","125","1","87","92","10.1002/cber.19921250114","","","","","","","","","","","","","","","","","","","","","has coordinates","177568","2020-10-21","18:00:00",""
"1100352","9.095","0.001","10.164","0.001","22.41","0.002","90","","90","","90","","2071.62","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","","Reetz, Manfred T.; Kayser, Frank; Harms, Klaus","Cycloaddition reactions of λ-amino α,β-didehydro amino acid esters: a test case for the principle of 1,3-allylic strain","Tetrahedron Letters","1992","33","24","3453","3456","10.1016/s0040-4039(00)92661-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176933","2020-10-21","18:00:00",""
"1100353","11.137","0.002","11.26","0.002","18.646","0.004","90","","90","","90","","2338.26","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H38 N2 O5 -","- C20 H38 N2 O5 -","- C80 H152 N8 O20 -","4","1","","Reetz, Manfred T.; Kanand, Jürgen; Griebenow, Nils; Harms, Klaus","Stereoselective Nucleophilic Addition Reactions of Reactive Pseudopeptides","Angewandte Chemie, International Edition in English","1992","31","12","1626","1629","10.1002/anie.199216261","","","","","","","","","","","","","","","","","","","","","has coordinates","176968","2020-10-21","18:00:00",""
"1100357","11.886","0.001","13.827","0.002","18.591","0.003","90","","90","","90","","3055.39","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H51 Li N3 O2 Si -","- C28 H51 Li N3 O2 Si -","- C112 H204 Li4 N12 O8 Si4 -","4","1","","Marsch, Michael; Harms, Klaus; Zschage, Oliver; Hoppe, Dieter; Boche, Gernot","η^1^-(1S, 2E)-1-(N,N-diisopropylcarbamoyloxy)-3-trimethylsilylallyllithium(—)-Sparteine: Structure of a Chiral, Carbamoyloxy-substituted Allyllithium Compound","Angewandte Chemie, International Edition in English","1991","30","3","321","323","10.1002/anie.199103211","","","","","","","","","","","","","","","","","","","","","has coordinates","177280","2020-10-21","18:00:00",""
"1100379","10.31","0.002","18.718","0.002","23.545","0.004","90","","90","","90","","4543.77","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C208 H224 N16 O16 -","8","2","","Reetz, Manfred T.; Röhrig, Dirk; Harms, Klaus; Frenking, Gernot","Stereoselective synthesis of β-amino hydroxylamines","Tetrahedron Letters","1994","35","47","8765","8768","10.1016/s0040-4039(00)78492-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176942","2020-10-21","18:00:00",""
"1100382","10.966","0.0007","11.597","0.0005","19.015","0.0009","90","","90","","90","","2418.19","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 Li N2 -","- C28 H41 Li N2 -","- C112 H164 Li4 N8 -","4","1","","Hoppe, Inga; Marsch, Michael; Harms, Klaus; Boche, Gernot; Hoppe, Dieter","Generation of Enantiomerically Enriched Lithium Indenides by Means of(‒)-Sparteine: Structure, Stereoselective Substitution, and Solvent Effects","Angewandte Chemie, International Edition in English","1995","34","19","2158","2160","10.1002/anie.199521581","","","","","","","","","","","","","","","","","","","","","has coordinates","177375","2020-10-21","18:00:00",""
"1100388","5.728","0.001","6.275","0.001","20.725","0.002","90","","90","","90","","744.92","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 Cl N O2 -","- C8 H4 Cl N O2 -","- C32 H16 Cl4 N4 O8 -","4","1","","Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt; Magull, Jörg","μ~2~-Chlorokomplexe von Succinimid und N-Chlorsuccinimid. Die Kristallstrukturen von PPh~4~[Cl(Succinimid)~2~], PPh~4~[[Cl(N-Cl-Succinimid)~2~] und N-Chlorphthalimid / μ~2~-Chloro Complexes of Succinimide and N-Chlorosuccinimide. The Crystal Structures of PPh~4~[Cl(Succinimide)~2~], PPh~4~[Cl(N-Cl-Succinimide)~2~] and N-Chlorophthalimide}","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1994","49","4","506","512","10.1515/znb-1994-0413","","","","","","","","","","","","","","","","","","","","","has coordinates","177083","2020-10-21","18:00:00",""
"1100403","7.601","0.002","17.345","0.003","19.01","0.006","90","","90","","90","","2506.27","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Li O2 -","- C29 H35 Li O2 -","- C116 H140 Li4 O8 -","4","1","","Dem'yanov, Piotr; Boche, Gernot; Marsch, Michael; Harms, Klaus; Fyodorova, Galina; Petrosyan, Valery","Crystal Structure of η^3^-lithio-1,3,3-triphenylpropyne-(diethyl ether)~2~ and [1-lithio-1-(2-methoxyphenyl)-3,3-diphenylallene‒diethyl ether]~2~: Propargyl- versus allenyl-type structures","Liebigs Annalen","1995","1995","3","457","460","10.1002/jlac.199519950361","","","","","","","","","","","","","","","","","","","","","has coordinates","177966","2020-10-21","18:00:00",""
"1100409","12.614","0.001","21.611","0.001","22.789","0.001","90","","90","","90","","6212.31","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H64 O4 P4 Pd -","- C76 H64 O4 P4 Pd -","- C304 H256 O16 P16 Pd4 -","4","1","","Bolm, Carsten; Kaufmann, Daniel; Gessler, Simon; Harms, Klaus","Crystal structure of a new chiral Pd(0) / diphosphine complex and its use in enantioselective allylic alkylations","Journal of Organometallic Chemistry","1995","502","1-2","47","52","10.1016/0022-328x(95)05687-k","","","","","","","","","","","","","","","","","","","","","has coordinates","178084","2020-10-21","18:00:00",""
"1100416","9.109","0.001","9.436","0.001","19.077","0.001","90","","90","","90","","1639.72","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O -","- C17 H26 N2 O -","- C68 H104 N8 O4 -","4","1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100418","12.78","0.004","13.9","0.003","16.427","0.005","90","","90","","90","","2918.13","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 Cl2 O6 P2 Sn -","- C23 H36 Cl2 O7 P2 Sn2 -","- C92 H144 Cl8 O28 P8 Sn8 -","4","1","","Grigoriev, E. V.; Yashina, N. S.; Prischenko, A. A.; Livantsov, M. V.; Petrosyan, V. S.; Massa, W.; Harms, K.; Wocadlo, S.; Pellerito, L.","Organotin(IV) complexes with tetraethyl ethylene- and propylene-diphosphonates","Applied Organometallic Chemistry","1995","9","1","11","22","10.1002/aoc.590090104","","","","","","","","","","","","","","","","","","","","","has coordinates","177942","2020-10-21","18:00:00",""
"1100428","11.348","0.001","12.175","0.001","18.923","0.002","90","","90","","90","","2614.44","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O5 S2 V -","- C28 H26 N2 O5 S2 V -","- C112 H104 N8 O20 S8 V4 -","4","1","","Bolm, Carsten; Bienewald, Frank; Harms, Klaus","Syntheses and Vanadium Complex of Salen-like Bissulfoximines","Synlett","1996","1996","8","775","776","10.1055/s-1996-5512","","","","","","","","","","","","","","","","","","","","","has coordinates","178091","2020-10-21","18:00:00",""
"1100442","5.291","0.001","13.453","0.001","16.941","0.001","90","","90","","90","","1205.86","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","1","","Aurich, Hans Günter; Biesemeier, Frank; Geiger, Michael; Harms, Klaus","Bicyclic and Tricyclic Compounds with β-Amino Alcohol Groups as Chiral Ligands in the Enantioselective Reaction of Diethylzinc with Aldehydes","Liebigs Annalen/Recueil","1997","1997","2","423","434","10.1002/jlac.199719970222","","","","","","","","","","","","","","","","","","","","","has coordinates","177967","2020-10-21","18:00:00",""
"1100448","8.344","0.001","11.263","0.004","22.134","0.003","90","","90","","90","","2080.12","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O5 V -","- C22 H24 N2 O5 V -","- C88 H96 N8 O20 V4 -","4","1","","Boln, Carsten; Luong, Thi Kim Khanh; Harms, Klaus","Bis[2-(oxazolinyl)phenolato]oxovanadium(IV) Complexes: Syntheses, Crystal Structures and Catalyses","Chemische Berichte/Recueil","1997","130","7","887","890","10.1002/cber.19971300712","","","","","","","","","","","","","","","","","","","","","has coordinates","177581","2020-10-21","18:00:00",""
"1100449","10.09","0.001","11.779","0.003","19.825","0.003","90","","90","","90","","2356.2","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 N2 O5 V -","- C24 H28 N2 O5 V -","- C96 H112 N8 O20 V4 -","4","1","","Boln, Carsten; Luong, Thi Kim Khanh; Harms, Klaus","Bis[2-(oxazolinyl)phenolato]oxovanadium(IV) Complexes: Syntheses, Crystal Structures and Catalyses","Chemische Berichte/Recueil","1997","130","7","887","890","10.1002/cber.19971300712","","","","","","","","","","","","","","","","","","","","","has coordinates","177581","2020-10-21","18:00:00",""
"1100450","11.7956","0.001","19.3126","0.001","21.937","0.005","90","","90","","90","","4997.33","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H80 B3 Li O4 Si2 -","- C48 H88 B3 Li O4 Si2 -","- C192 H352 B12 Li4 O16 Si8 -","4","1","","Unverzagt, Markus; Subramanian, Govindan; Hofmann, Matthias; von Ragué Schleyer, Paul; Berger, Stefan; Harms, Klaus; Massa, Werner; Berndt, Armin","Carbene Analogues of Boron Stabilized by Neighboring B‒B Moieties: Doubly Aromatic Bishomotriboriranides","Angewandte Chemie, International Edition in English","1997","36","1314","1469","1472","10.1002/anie.199714691","","","","","","","","","","","","","","","","","","","","","has coordinates","177012","2020-10-21","18:00:00",""
"1100462","10.29","0.001","16.86","0.002","18.136","0.003","90","","90","","90","","3146.4","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","2","","Hoppe, I.; Hoppe, D.; Marsch, M.; Harms, K.; Boche, G.","Crystal structure of (1R)-1-methyl-1-(α-methylbenzyl-carboxamido)-indene, C~19~H~19~NO","Zeitschrift für Kristallographie","1996","211","5","331","332","10.1524/zkri.1996.211.5.331","","","","","","","","","","","","","","","","","","","","","has coordinates","178093","2020-10-21","18:00:00",""
"1100489","6.53","0.001","10.34","0.002","11.245","0.002","90","","90","","90","","759.26","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H9 I Pb -","- C3 H9 I2 Pb2 -","- C12 H36 I8 Pb8 -","4","1","","Hillwig, Ralf; Kunkel, Frank; Harms, Klaus; Neumüller, Bernhard; Dehnicke, Kurt","Die Kristallstrukturen von Trimethylbleiiodid und Diphenylbismutchlorid / Crystal Structures of Trimethyllead Iodide and Diphenylbismuth Chloride","Zeitschrift für Naturforschung, B: A Journal of Chemical Sciences","1997","52","1","149","152","10.1515/znb-1997-0129","","","","","","","","","","","","","","","","","","","","","has coordinates","177085","2020-10-21","18:00:00",""
"1100505","14.858","0.001","16.2","0.001","18.192","0.001","90","","90","","90","","4378.81","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H71 B2 Li3 O2 Si2 -","- C49 H95 B2 Li3 O2 Si2 -","- C196 H380 B8 Li12 O8 Si8 -","4","1","","Scheschkewitz, David; Menzel, Matthias; Hofmann, Matthias; Schleyer, Paul Ragué; Geiseler, Gertraud; Massa, Werner; Harms, Klaus; Berndt, Armin","A Five-Membered Ring with Three Negative Charges and Solvent-Free Lithium Counterions","Angewandte Chemie, International Edition","1999","38","19","2936","2939","10.1002/(sici)1521-3773(19991004)38:19<2936::aid-anie2936>3.0.co;2-9","","","","","","","","","","","","","","","","","","","","","has coordinates","177014","2020-10-21","18:00:00",""
"1100506","8.919","","15.543","0.001","21.796","0.001","90","","90","","90","","3021.54","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 N O6 P -","- C36 H46 N O6 P -","- C144 H184 N4 O24 P4 -","4","1","","Breit, Bernhard; Dauber, Mario; Harms, Klaus","Substrate-Directed Diastereoselective Hydroformylation: Key Step for the Assembly of Polypropionate Subunits","Chemistry - A European Journal","1999","5","10","2819","2827","10.1002/(sici)1521-3765(19991001)5:10<2819::aid-chem2819>3.0.co;2-z","","","","","","","","","","","","","","","","","","","","","has coordinates","177551","2020-10-21","18:00:00",""
"1100516","6.376","0.001","18.155","0.002","19.422","0.001","90","","90","","90","","2248.22","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O2 -","- C25 H32 N2 O2 -","- C100 H128 N8 O8 -","4","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework","Tetrahedron","1999","55","5","1249","1270","10.1016/s0040-4020(98)01117-x","","","","","","","","","","","","","","","","","","","","","has coordinates","178054","2020-10-21","18:00:00",""
"1100517","7.515","0.001","13.748","0.001","18.678","0.001","90","","90","","90","","1929.74","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of enantiopure β-amino alcohols with a 3-oxa-2,7-diazabicyclo[3.3.0]octane framework","Tetrahedron","1999","55","5","1249","1270","10.1016/s0040-4020(98)01117-x","","","","","","","","","","","","","","","","","","","","","has coordinates","178054","2020-10-21","18:00:00",""
"1100530","7.984","0.001","10.045","0.001","18.978","0.002","90","","90","","90","","1522.02","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C64 H100 N4 O12 -","4","1","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Effect of the substitution pattern on the oxidation of the isoxazolidine moiety in bi- and tricyclic compounds","Tetrahedron","1998","54","40","12249","12264","10.1016/s0040-4020(98)00765-0","","","","","","","","","","","","","","","","","","","","","has coordinates","178053","2020-10-21","18:00:00",""
"1100536","6.47","0.001","13.708","0.001","17.352","0.001","90","","90","","90","","1538.96","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Bach, Thorsten; Schröder, Jürgen; Brandl, Trixie; Hecht, Jürgen; Harms, Klaus","Facial diastereoselectivity in the photocycloaddition of chiral N-acyl enamines to benzaldehyde","Tetrahedron","1998","54","18","4507","4520","10.1016/s0040-4020(98)00161-6","","","","","","","","","","","","","","","","","","","","","has coordinates","178052","2020-10-21","18:00:00",""
"1100537","6.373","0.001","14.8","0.001","17.892","0.001","90","","90","","90","","1687.58","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Bach, Thorsten; Schröder, Jürgen; Brandl, Trixie; Hecht, Jürgen; Harms, Klaus","Facial diastereoselectivity in the photocycloaddition of chiral N-acyl enamines to benzaldehyde","Tetrahedron","1998","54","18","4507","4520","10.1016/s0040-4020(98)00161-6","","","","","","","","","","","","","","","","","","","","","has coordinates","178052","2020-10-21","18:00:00",""
"1100552","5.9843","0.0004","15.9963","0.0011","21.462","0.002","90","","90","","90","","2054.49","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N O2 -","- C27 H29 N O2 -","- C108 H116 N4 O8 -","4","1","","Aurich, Hans Günter; Soeberdt, Michael; Harms, Klaus","Formation of Chiral N-Oxides from 2-Azabicyclo[3.3.0]octanes","European Journal of Organic Chemistry","1999","1999","5","1249","1252","10.1002/(sici)1099-0690(199905)1999:5<1249::aid-ejoc1249>3.0.co;2-p","","","","","","","","","","","","","","","","","","","","","has coordinates","177976","2020-10-21","18:00:00",""
"1100580","15.423","0.002","19.946","0.004","26.039","0.006","90","","90","","90","","8010.3","","","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H131 Lu2 N6 Na O6 Si9 -","- C51 H131 Lu2 N6 Na O6 Si9 -","- C204 H524 Lu8 N24 Na4 O24 Si36 -","4","1","","Karl, M.; Seybert, G.; Massa, W.; Harms, K.; Agarwal, S.; Maleika, R.; Stelter, W.; Greiner, A.; Neumüller, W.; Heitz, B.; Dehnicke, K.","Amidometallate von Seltenerdelementen. Synthese und Kristallstrukturen von [Na(12-Krone-4)~2~][M{N(SiMe~3~)~2~}~3~(OSiMe~3~)] (M = Sm, Yb), [Na(THF)~3~Sm{N(SiMe~3~)~2~}~3~(C≡C-Ph)], [Na(THF)~6~][Lu~2~(μ-NH~2~)(μ-NSiMe~3~){N(SiMe~3~)~2~}~4~] sowie von [NaN(SiMe~3~)~2~(THF)]~2~. Anwendungen der Seltenerdkomplexe als Polymerisationskatalysatoren","Zeitschrift für anorganische und allgemeine Chemie","1999","625","8","1301","1309","10.1002/(sici)1521-3749(199908)625:8<1301::aid-zaac1301>3.0.co;2-0","","","","","","","","","","","","","","","","","","","","","has coordinates","178218","2020-10-21","18:00:00",""
"1100583","5.968","0.001","8.448","0.001","21.719","0.001","90","","90","","90","","1095.02","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 N2 O4 -","- C10 H16 N2 O4 -","- C40 H64 N8 O16 -","4","1","","Baskaran, Subramanian; Aurich, Hans Günter; Biesemeier, Frank; Harms, Klaus","Cycloadducts from highly functionalized nitrones and oximes as ligands in the enantioselective addition of diethylzinc to benzaldehyde","Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999)","1998","","22","3717","3724","10.1039/a806744i","","","","","","","","","","","","","","","","","","","","","has coordinates","177461","2020-10-21","18:00:00",""
"1100609","12.546","0.004","14.113","0.005","20.899","0.009","90","","90","","90","","3700.41","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H54 B3 I3 N5 P3 -","- C22 H54 B3 I3 N5 P3 -","- C88 H216 B12 I12 N20 P12 -","4","1","","Möhlen, Michael; Neumüller, Bernhard; Harms, Klaus; Krautscheid, Harald; Fenske, Dieter; Diedenhofen, Michael; Frenking, Gernot; Dehnicke, Kurt","Tri(phosphorano)borazinium-Ionen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1998","624","7","1105","1110","10.1002/(sici)1521-3749(199807)624:7<1105::aid-zaac1105>3.0.co;2-t","","","","","","","","","","","","","","","","","","","","","has coordinates","177971","2020-10-21","18:00:00",""
"1100634","9.75","0.002","10.525","0.002","15.035","0.003","90","","90","","90","","1542.87","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O -","- C17 H24 N2 O -","- C68 H96 N8 O4 -","4","1","","Aurich, Hans Günter; Geiger, Michael; Gentes, Christian; Harms, Klaus; Köster, Heiner","Formation of enantiopure tricyclic compounds by intramolecular 1,3-dipolar cycloaddition of nitrones","Tetrahedron","1998","54","13","3181","3196","10.1016/s0040-4020(98)00064-7","","","","","","","","","","","","","","","","","","","","","has coordinates","178051","2020-10-21","18:00:00",""
"1100645","8.0799","0.0013","12.969","0.0015","14.451","0.0018","90","","90","","90","","1514.29","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 S -","- C15 H21 N O4 S -","- C60 H84 N4 O16 S4 -","4","1","","Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus","Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone","European Journal of Organic Chemistry","1999","1999","11","2977","2990","10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3","","","","","","","","","","","","","","","","","","","","","has coordinates","177980","2020-10-21","18:00:00",""
"1100646","8.455","0.001","11.6555","0.001","14.3828","0.001","90","","90","","90","","1417.39","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C56 H76 N4 O16 S4 -","4","1","","Schrey, Anna; Osterkamp, Frank; Straudi, Alrun; Rickert, Corry; Wagner, Holger; Koert, Ulrich; Herrschaft, Bernhard; Harms, Klaus","Synthesis of Enantiomerically Pure Amino Acids Containing 2,5-Disubstituted THF Rings in the Molecular Backbone","European Journal of Organic Chemistry","1999","1999","11","2977","2990","10.1002/(sici)1099-0690(199911)1999:11<2977::aid-ejoc2977>3.0.co;2-3","","","","","","","","","","","","","","","","","","","","","has coordinates","177980","2020-10-21","18:00:00",""
"1100650","14.21","0.01","6.28","0.01","8.73","0.01","90","","90","","90","","778","2","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C32 H32 N8 O8 -","4","1","","Azumaya, Isao; Okamoto, Iwao; Takayanagi, Hiroaki","Spontaneous Optical Resolution of 1,2-Bis(formylamino)benzene in Crystals","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x3","x4","10.2116/analscix.19.x3","","","1.5418","CuKα","","","0.0606","","","","0.0984","","","","","","1.307","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100652","14.5558","0.0005","30.2416","0.0006","6.2872","0.0003","90","","90","","90","","2767.6","0.2","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 O3 -","- C28 H50 O3 -","- C112 H200 O12 -","4","1","","Fujii, Isao; Hirayama, Noriaki","Structure of 7-α-hydroxycholesterol","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x7","x8","10.2116/analscix.19.x7","","","1.5418","CuKα","","","0.0676","","","","0.1447","","","","","","1.546","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1100681","8.8162","0.0006","16.942","0.0015","4.8651","0.0003","90","","90","","90","","726.67","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Scorbamic acid","","","- C6 H9 N O5 -","- C6 H9 N O5 -","- C24 H36 N4 O20 -","4","1","","Imai, Tokiko; Yoshihiro, Yokoyama; Sekine, Akiko; Uekusa, Hidediro; Ohashi, Yuji","The Structure of 2-Amino-2-deoxyascorbic acid and 2-Amino-2-deoxyerythorbic acid","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x65","x66","10.2116/analscix.19.x65","","","0.7107","MoKα","","0.0444","0.0421","","","0.1233","0.128","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100682","8.3338","0.0013","10.294","0.002","8.029","0.002","90","","90","","90","","688.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Erythroscorbamic acid","","","- C6 H9 N O5 -","- C6 H9 N O5 -","- C24 H36 N4 O20 -","4","1","","Imai, Tokiko; Yoshihiro, Yokoyama; Sekine, Akiko; Uekusa, Hidediro; Ohashi, Yuji","The Structure of 2-Amino-2-deoxyascorbic acid and 2-Amino-2-deoxyerythorbic acid","Analytical Sciences: X-ray Structure Analysis Online","2003","19","","x65","x66","10.2116/analscix.19.x65","","","0.7107","MoKα","","0.0455","0.0439","","","0.1249","0.1262","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1100729","15.023","0.003","15.582","0.003","16.554","0.003","90","","90","","90","","3875.1","1.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H34 Cl2 Hg I2 N4 O3 -","- C37 H34 Cl2 Hg I2 N4 O3 -","- C148 H136 Cl8 Hg4 I8 N16 O12 -","4","1","","Tara J. Burchell; Richard J. Puddephatt","Self-Assembly of Chiral Coordination Polymers and Macrocycles: A Metal Template Effect on the Polymer-Macrocycle Equilibrium","Inorganic Chemistry","2005","44","","3718","3730","10.1021/ic050097w","","","0.71073","MoKα","","0.0689","0.0465","","","0.1014","0.1096","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100765","9.392","0.004","12.838","0.005","19.134","0.008","90","","90","","90","","2307.1","1.6","230","2","230","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 B N6 S2 Zn -","- C20 H25 B N6 S2 Zn -","- C80 H100 B4 N24 S8 Zn4 -","4","1","","Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp","Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes","Inorganic Chemistry","2005","44","10","3518","3523","10.1021/ic0484147","","","0.71073","MoKα","","0.0451","0.0333","","","0.0719","0.0777","","","","","","1.067","","","","has coordinates","175230","2020-10-21","18:00:00",""
"1100823","10.0582","0.0005","10.9779","0.0006","28.1698","0.0015","90","","90","","90","","3110.5","0.3","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H51 Si2 Y -","- C31 H51 Si2 Y -","- C124 H204 Si8 Y4 -","4","1","","Evans, William J.; Kozimor, Stosh A.; Brady, Jason C.; Davis, Benjamin L.; Nyce, Gregory W.; Seibel, Christopher A.; Ziller, Joseph W.; Doedens, Robert J.","Metallocene Allyl Reactivity in the Presence of Alkenes Tethered to Cyclopentadienyl Ligands","Organometallics","2005","24","10","2269","2278","10.1021/om049286x","","","0.71073","MoKα","","0.0681","0.0426","","","0.0861","0.0968","","","","","","1.024","","","","has coordinates","282633","2023-04-14","12:39:59",""
"1100844","10.7245","0.0002","13.8487","0.0004","15.4083","0.0004","90","","90","","90","","2288.45","0.1","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Cl2 N2 O P2 Ru -","- C16 H36 Cl2 N2 O P2 Ru -","- C64 H144 Cl8 N8 O4 P8 Ru4 -","4","1","","Major, Quinn; Lough, Alan J.; Gusev, Dmitry G.","Substituents Effects in POP Pincer Complexes of Ruthenium","Organometallics","2005","24","10","2492","2501","10.1021/om050053v","","","0.71073","MoKα","","0.0493","0.036","","","0.0751","0.0815","","","","","","1.085","","","","has coordinates,has disorder","282777","2023-04-20","11:56:40",""
"1100854","9.705","0.004","13.701","0.004","19.123","0.006","90","","90","","90","","2542.8","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 B8 Cl Ru2 -","- C20 H39 B8 Cl Ru2 -","- C80 H156 B32 Cl4 Ru8 -","4","1","","Ghosh, Sundargopal; Fehlner, Thomas P.; Beatty, Alicia M.; Noll, Bruce C.","Insertion of B-X (X = Cl, SMe~2~) Moieties into Ruthenaborane Frameworks: Synthesis and Characterization of (η^5^-C~5~Me~5~Ru)~2~(μ-H)B~4~H~m~Cl~n~, (m, n = 4, 3; 5, 2; 7, 2), closo-1-(SMe~2~)-2,3-(η^5^-C~5~Me~5~Ru)~2~(μ~3~-H)B~5~HCl~3~, and closo-2,3-(η^5^-C~5~Me~5~Ru)~2~B~6~H~3~Cl~3~","Organometallics","2005","24","10","2473","2480","10.1021/om050083y","","","0.71073","MoKα","","0.0476","0.0451","","","0.1095","0.1108","","","","","","1.219","","","","has coordinates,has disorder","200397","2020-10-21","18:00:00",""
"1100907","10.7589","0.0009","17.8696","0.0017","22.667","0.0018","90","","90","","90","","4357.9","0.7","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acidd","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C204 H180 N12 O48 -","12","3","","Brady, Fiona; Gallagher, John F.","Intermolecular O-H...O hydrogen bonding in the three independent molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic acid","Acta Crystallographica, Section C","2000","56","","1407","1410","10.1107/S010827010001163X","","","0.7107","MoKα","","0.086","0.045","","","","0.116","","","","","","1.02","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100946","8.697","0.006","13.905","0.006","21.176","0.008","90","","90","","90","","2561","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Ce Cu N5 O13 -","- C20 H22 Ce Cu N5 O13 -","- C80 H88 Ce4 Cu4 N20 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0568","0.0347","","","0.0731","0.0889","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100947","8.619","0.005","13.8698","0.001","21.1269","0.0015","90","","90","","90","","2525.6","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu N5 O13 Pr -","- C20 H22 Cu N5 O13 Pr -","- C80 H88 Cu4 N20 O52 Pr4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0331","0.0273","","","0.0718","0.0837","","","","","","1.182","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100948","8.601","0.003","13.786","0.002","21.1483","0.0016","90","","90","","90","","2507.6","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu Eu N5 O13 -","- C20 H22 Cu Eu N5 O13 -","- C80 H88 Cu4 Eu4 N20 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.037","0.0302","","","0.0775","0.0817","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100949","8.611","0.003","13.814","0.005","21.244","0.006","90","","90","","90","","2527","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu N5 O13 Tb -","- C20 H22 Cu N5 O13 Tb -","- C80 H88 Cu4 N20 O52 Tb4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0393","0.0289","","","0.067","0.0809","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100950","8.587","0.0003","13.758","0.0005","21.1665","0.0007","90","","90","","90","","2500.61","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu Dy N5 O13 -","- C20 H22 Cu Dy N5 O13 -","- C80 H88 Cu4 Dy4 N20 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0264","0.0205","","","0.0441","0.0452","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100951","8.583","0.003","13.749","0.003","21.191","0.003","90","","90","","90","","2500.7","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu Ho N5 O13 -","- C20 H22 Cu Ho N5 O13 -","- C80 H88 Cu4 Ho4 N20 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0723","0.0456","","","0.1003","0.1152","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100952","8.566","0.003","13.735","0.003","21.1786","0.0019","90","","90","","90","","2491.7","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu N5 O13 Tm -","- C20 H22 Cu N5 O13 Tm -","- C80 H88 Cu4 N20 O52 Tm4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0468","0.0306","","","0.07","0.0803","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100953","8.576","0.003","13.705","0.003","21.114","0.003","90","","90","","90","","2481.6","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu N5 O13 Yb -","- C20 H22 Cu N5 O13 Yb -","- C80 H88 Cu4 N20 O52 Yb4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0518","0.0447","","","0.1137","0.1332","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100954","8.6323","0.0012","13.822","0.002","21.176","0.003","90","","90","","90","","2526.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Ce N5 Ni O13 -","- C20 H22 Ce N5 Ni O13 -","- C80 H88 Ce4 N20 Ni4 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0292","0.025","","","0.0659","0.0707","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100955","8.6215","0.0015","13.776","0.004","21.179","0.003","90","","90","","90","","2515.4","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N5 Nd Ni O13 -","- C20 H22 N5 Nd Ni O13 -","- C80 H88 N20 Nd4 Ni4 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0389","0.029","","","0.0689","0.0762","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100956","8.617","0.004","21.215","0.003","13.754","0.003","90","","90","","90","","2514.4","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Eu N5 Ni O13 -","- C20 H22 Eu N5 Ni O13 -","- C80 H88 Eu4 N20 Ni4 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0327","0.0277","","","0.0744","0.0796","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100957","8.607","0.003","21.24","0.004","13.742","0.003","90","","90","","90","","2512.2","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N5 Ni O13 Tb -","- C20 H22 N5 Ni O13 Tb -","- C80 H88 N20 Ni4 O52 Tb4 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0316","0.0265","","","0.0659","0.0698","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100958","8.601","0.004","13.71","0.004","21.252","0.005","90","","90","","90","","2506","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Er N5 Ni O13 -","- C20 H22 Er N5 Ni O13 -","- C80 H88 Er4 N20 Ni4 O52 -","4","1","","Rajesh Koner; Hsin-Huang Lin; Ho-Hsiang Wei; Sasankasekhar Mohanta","Syntheses, Structures, and Magnetic Properties of Diphenoxo-Bridged MIILnIII Complexes Derived from N,N'-Ethylenebis(3-ethoxysalicylaldiimine) (M = Cu or Ni; Ln = Ce-Yb): Observation of Surprisingly Strong Exchange Interactions","Inorganic Chemistry","2005","44","","3524","3536","10.1021/ic048196h","","","0.71073","MoKα","","0.0331","0.0253","","","0.0607","0.0705","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101056","6.8078","0.0001","9.3184","0.0002","17.5481","0.0003","90","","90","","90","","1113.21","0.03","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Whitby, Richard J.; Hunter, Rupert","","private communication","","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101107","8.749","0.001","14.213","0.001","21.2","0.002","90","","90","","90","","2636.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Cl2 Cu N8 O15 -","- C16 H22 Cl2 Cu N8 O15 -","- C64 H88 Cl8 Cu4 N32 O60 -","4","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Crystal structure of the Λ-[4M] enantiomer of cis-diaqua-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-N^5^,O^4^) copper(II) perchlorate monohydrate","Journal of Chemical Crystallography","1999","29","5","571","574","10.1023/A:1009548803103","","","","","","","0.0471","","","0.1263","","","","","","","","","","","has coordinates","174895","2020-10-21","18:00:00",""
"1101129","7.2294","0.0007","11.54","0.001","14.67","0.002","90","","90","","90","","1223.9","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C48 H56 N8 O12 -","4","1","","Raj P. Sharma; Paramjit Singh; Kuldip K. Bhasin; Miguel Quirós; Juan M. Salas; J. F. Hansen","Synthesis, spectroscopic and X-ray structural study of 4-p-methoxy-phenylimino-3-hydroxyimino-2-pentanone","Journal of Chemical Cristallography","1996","26","6","407","412","10.1007/BF01665820","","","","","","","0.051","","","0.092","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"1101141","13.362","0.002","13.566","0.003","22.532","0.003","90","","90","","90","","4084.4","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 Cu N3 O5.5 -","- C5 H8 Cu N3 O5.5 -","- C80 H128 Cu16 N48 O88 -","16","4","","Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas; René Faure; Gerardo Álvarez de Cienfuegos","Spectral and magnetic properties, and biological activity of several coordination compounds of dinegative isoorotato and 2-thioisoorotato ligands. Crystal structure of the tetrameric complex [Cu~4~(isoorotato^2-^)~4~(NH~3~)~4(H~2~O)~2~].4H~2~O","Inorganica Chimica Acta","1996","241","","61","69","10.1016/0020-1693(95)04741-7","","","","","","","0.0829","","","0.2212","","","","","","","","","","","has coordinates","198667","2020-10-21","18:00:00",""
"1501555","8.0541","0.0002","9.6501","0.0002","21.099","0.0005","90","","90","","90","","1639.87","0.07","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 Ag F3 O4 S3 -","- C9 H18 Ag F3 O4 S3 -","- C36 H72 Ag4 F12 O16 S12 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.045","0.0395","","","0.1165","0.1193","","","","","","1.063","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501565","8.0049","0.0004","8.5815","0.0004","32.3805","0.0016","90","","90","","90","","2224.35","0.19","296","2","296","2","","","","","","","Synthesized by the authors. See text","2","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 -","- C16 H14 -","- C128 H112 -","8","2","","Hung Dang; Thierry Maris; Ji-Hyun Yi; Federico Rosei; Antonio Nancy; James D. Wuest","Ensuring Homology between 2D and 3D Molecular Crystals","Langmuir","2007","23","","11980","11985","10.1021/la702885y","","","1.54178","CuKα","","0.0461","0.0418","","","0.0906","0.0912","","","","","","1.118","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501646","9.2173","0.0005","9.9916","0.0008","22.5665","0.0017","90","","90","","90","","2078.3","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl N O4 -","- C26 H20 Cl N O4 -","- C104 H80 Cl4 N4 O16 -","4","1","","Kotani, Hiroaki; Ohkubo, Kei; Fukuzumi, Shunichi","Formation of a long-lived electron-transfer state of a naphthalene‒quinolinium ion dyad and the π-dimer radical cation","Faraday Discussions","2012","155","","89","","10.1039/c1fd00084e","","","0.7107","MoKα","","0.0798","0.0653","","","0.1852","0.2084","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501660","11.2339","0.0002","11.6808","0.0003","16.4783","0.0005","90","","90","","90","","2162.3","0.09","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","","Trapella, Claudio; Pela, Michela; Del Zoppo, Luisa; Calo, Girolamo; Camarda, Valeria; Ruzza, Chiara; Cavazzini, Alberto; Costa, Valentina; Bertolasi, Valerio; Reinscheid, Rainer K.; Salvadori, Severo; Guerrini, Remo","Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68).","Journal of medicinal chemistry","2011","54","8","2738","2744","10.1021/jm200138r","","","0.71073","MoKα","","0.0527","0.0365","","","0.0813","0.0904","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501661","8.6598","0.0004","21.3183","0.001","23.6397","0.001","90","","90","","90","","4364.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 Br4 N2 O7 -","- C46 H36 Br4 N2 O7 -","- C184 H144 Br16 N8 O28 -","4","1","","Magedov, Igor V.; Frolova, Liliya; Manpadi, Madhuri; Bhoga, Uma devi; Tang, Hong; Evdokimov, Nikolai M.; George, Olivia; Georgiou, Kathy Hadje; Renner, Steffen; Getlik, Matthäus; Kinnibrugh, Tiffany L.; Fernandes, Manuel A.; Van slambrouck, Severine; Steelant, Wim F. A.; Shuster, Charles B.; Rogelj, Snezna; van Otterlo, Willem A. L.; Kornienko, Alexander","Anticancer properties of an important drug lead podophyllotoxin can be efficiently mimicked by diverse heterocyclic scaffolds accessible via one-step synthesis.","Journal of medicinal chemistry","2011","54","12","4234","4246","10.1021/jm200410r","","","0.71073","MoKα","","0.0767","0.0467","","","0.1127","0.1245","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501664","6.5913","0.0008","15.0012","0.0018","20.319","0.003","90","","90","","90","","2009.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br N O4 Si -","- C17 H24 Br N O4 Si -","- C68 H96 Br4 N4 O16 Si4 -","4","1","","Xin, Qisheng; Fan, Houxing; Guo, Bin; He, Huili; Gao, Suo; Wang, Hui; Huang, Yanqin; Yang, Yushe","Design, synthesis, and structure-activity relationship studies of highly potent novel benzoxazinyl-oxazolidinone antibacterial agents.","Journal of medicinal chemistry","2011","54","21","7493","7502","10.1021/jm200614t","","","0.71073","MoKα","","0.0636","0.0413","","","0.0824","0.0867","","","","","","0.825","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501666","8.1766","0.0004","10.4313","0.0004","23.7612","0.001","90","","90","","90","","2026.65","0.15","150","0.2","150","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 F3 N O3 -","- C21 H30 F3 N O3 -","- C84 H120 F12 N4 O12 -","4","1","","Woods, James R.; Mo, Huaping; Bieberich, Andrew A.; Alavanja, Tanja; Colby, David A.","Fluorinated amino-derivatives of the sesquiterpene lactone, parthenolide, as (19)f NMR probes in deuterium-free environments.","Journal of medicinal chemistry","2011","54","22","7934","7941","10.1021/jm201114t","","","1.54184","CU-Kα","","0.041","0.039","","","0.096","0.098","","","","","","1.065","","","","has coordinates","288505","2023-12-22","15:11:59",""
"1501682","11.905","0.003","17.238","0.005","7.529","0.001","90","","90","","90","","1545.1","0.6","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O3 V -","- C17 H16 N2 O3 V -","- C68 H64 N8 O12 V4 -","4","1","","Matsuoka, Naoki; Tsuchimoto, Masanobu; Yoshioka, Naoki","Theoretical study of magnetic properties of oxovanadium(IV) complex self-assemblies with tetradentate Schiff base ligands.","The journal of physical chemistry. B","2011","115","26","8465","8473","10.1021/jp111779k","","","0.71073","MoKα","","","0.0302","","","","0.0787","","","","","","1.102","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501683","8.1037","0.0016","10.127","0.002","12.519","0.003","90","","90","","90","","1027.4","0.4","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 O2 -","- C14 H10 O2 -","- C56 H40 O8 -","4","1","","Zhu, Xiao-Qing; Zhou, Jian; Wang, Chun-Hua; Li, Xiu-Tao; Jing, Sha","Actual structure, thermodynamic driving force, and mechanism of benzofuranone-typical compounds as antioxidants in solution.","The journal of physical chemistry. B","2011","115","13","3588","3603","10.1021/jp200095g","","","0.71073","MoKα","","0.0329","0.0297","","","0.0658","0.0674","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501698","8.0586","0.0013","14.782","0.002","20.24","0.003","90","","90","","90","","2411","0.6","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 F3 N Si -","- C27 H26 F3 N Si -","- C108 H104 F12 N4 Si4 -","4","1","","Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro","Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State","The Journal of Physical Chemistry C","2011","115","22","11265","","10.1021/jp201168x","","","0.71073","MoKα","","0.087","0.0746","","","0.2021","0.214","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501725","6.0806","0.0005","12.2086","0.0009","15.577","0.0012","90","","90","","90","","1156.37","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-chloro-benzanilide","","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","","Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki","Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.","The journal of physical chemistry. A","2011","115","26","7834","7848","10.1021/jp203771c","","","0.71073","MoKα","","0.0961","0.0593","","","0.1844","0.2057","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501747","10.517","0.002","14.329","0.003","20.204","0.004","90","","90","","90","","3044.7","1.1","200","0.1","200","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","pentaguanidinium diethoxysolfo-fluoro-sulfate","pentaguanidinium diethoxysolfo-fluoro-sulfate","","- C9 H40 F N15 O12 S3 -","- C9 H40 F N15 O12 S3 -","- C36 H160 F4 N60 O48 S12 -","4","1","","Szafrański, Marek","Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F.","The journal of physical chemistry. B","2011","115","34","10277","10284","10.1021/jp204557d","","","0.71073","MoKα","","0.0934","0.0364","","","0.0933","0.1094","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501793","9.1472","0.0003","11.3899","0.0005","32.6773","0.001","90","","90","","90","","3404.5","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 F6 O6 P2 Pd S2 -","- C26 H44 F6 O6 P2 Pd S2 -","- C104 H176 F24 O24 P8 Pd4 S8 -","4","1","","Stempfle, Florian; Quinzler, Dorothee; Heckler, Ilona; Mecking, Stefan","Long-Chain Linear C19and C23Monomers and Polycondensates from Unsaturated Fatty Acid Esters","Macromolecules","2011","44","11","4159","","10.1021/ma200627e","","","0.71073","MoKα","","0.029","0.0253","","","0.0601","0.0607","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501799","9.393","0.001","14.905","0.001","19.192","0.001","90","","90","","90","","2686.9","0.4","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O9 -","- C28 H38 O9 -","- C112 H152 O36 -","4","1","","Tang, Wen-Zhao; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan; Liu, Yun-Bao; Su, Dong-Min; Liu, Jing","Dimeric prenylated C6-C3 compounds from the stem bark of Illicium oligandrum.","Journal of natural products","2011","74","5","1268","1271","10.1021/np100651n","","","0.71073","MoKα","","0.0484","0.0463","","","0.1237","0.1264","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501801","7.7877","0.0011","13.9979","0.0013","15.583","0.0016","90","","90","","90","","1698.7","0.3","120","2","120","2","","","","","","","'natural product isolated from the brown alga Dilophus Spiralis'","3","P 21 21 21","P 2ac 2ab","19","(1R,3E,7S,8S,11S,12S)-7,8-epoxy-14-oxo-3,18-dolabelladiene","(1aS,4E,6aR,9S,9aS,11aS)-9-isopropenyl-4,6a,11a-trimethyl-2,3,6,6a,8,9,9a, 10,11,11a-decahydrocyclopenta[5,6]cycloundeca[1,2-b]oxiren-7(1aH)-one","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","","Ioannou, Efstathia; Quesada, Antonio; Rahman, M. Mukhlesur; Gibbons, Simon; Vagias, Constantinos; Roussis, Vassilios","Dolabellanes with antibacterial activity from the brown alga Dilophus spiralis.","Journal of natural products","2011","74","2","213","222","10.1021/np1006586","","","0.71073","MoKα","","0.0722","0.045","","","0.0939","0.108","","","","","","0.994","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501803","10.534","0.002","14.952","0.003","33.511","0.007","90","","90","","90","","5278.1","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H79 N6 O13.5 -","- C49 H79 N6 O13.5 -","- C196 H316 N24 O54 -","4","1","","Montaser, Rana; Abboud, Khalil A.; Paul, Valerie J.; Luesch, Hendrik","Pitiprolamide, a proline-rich dolastatin 16 analogue from the marine cyanobacterium Lyngbya majuscula from Guam.","Journal of natural products","2011","74","1","109","112","10.1021/np1006839","","","0.71073","MoKα","","0.1639","0.0499","","","0.0626","0.0812","","","","","","0.727","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501811","7.7118","0.0012","10.43","0.003","25.351","0.007","90","","90","","90","","2039.1","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 N O3 -","- C22 H33 N O3 -","- C88 H132 N4 O12 -","4","1","","Chou, Bo-Hon; Yang, Li-Ming; Chang, Shwu-Fen; Hsu, Feng-Lin; Wang, Li-Hsuan; Lin, Wen-Kuang; Liu, Pan-Chun; Lin, Shwu-Jiuan","Transformation of isosteviol lactam by fungi and the suppressive effects of its transformed products on LPS-induced iNOS expression in macrophages.","Journal of natural products","2011","74","6","1379","1385","10.1021/np100915q","","","1.54178","CuKα","","0.153","0.0611","","","0.1239","0.165","","","","","","0.976","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501813","11.373","0.003","11.703","0.002","15.508","0.003","90","","90","","90","","2064.1","0.8","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O7 -","- C22 H34 O7 -","- C88 H136 O28 -","4","1","","Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K.","Labdane diterpenoids from Leonurus sibiricus.","Journal of natural products","2011","74","4","831","836","10.1021/np100956k","","","1.54178","CuKα","","0.075","0.052","","","0.119","0.131","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501814","11.3687","0.0009","11.7108","0.0009","15.5053","0.0011","90","","90","","90","","2064.3","0.3","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O7 -","- C22 H34 O7 -","- C88 H136 O28 -","4","1","","Wu, Hankui; Fronczek, Frank R.; Ferreira, Daneel; Burandt, Jr, Charles L; Zjawiony, Jordan K.","Labdane diterpenoids from Leonurus sibiricus.","Journal of natural products","2011","74","4","831","836","10.1021/np100956k","","","1.54178","CuKα","","0.0315","0.0313","","","0.0735","0.0736","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1501815","12.491","0.0002","13.4647","0.0002","34.3327","0.0005","90","","90","","90","","5774.33","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O9 -","- C32 H40 O9 -","- C256 H320 O72 -","8","2","","Najmuldeen, Ibrahim A.; Hadi, A Hamid A; Awang, Khalijah; Mohamad, Khalit; Ketuly, Kamal Aziz; Mukhtar, Mat Ropi; Chong, Soon-Lim; Chan, Gomathi; Nafiah, Mohd Azlan; Weng, Ng Seik; Shirota, Osamu; Hosoya, Takahiro; Nugroho, Alfarius E.; Morita, Hiroshi","Chisomicines A-C, limonoids from Chisocheton ceramicus.","Journal of natural products","2011","74","5","1313","1317","10.1021/np200013g","","","0.71073","MoKα","","0.0573","0.0479","","","0.122","0.1288","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501819","6.5336","0.0005","14.5778","0.001","23.6095","0.0016","90","","90","","90","","2248.7","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O3 -","- C27 H38 O3 -","- C108 H152 O12 -","4","1","","Chao, Chih-Hua; Chou, Kuei-Ju; Wen, Zhi-Hong; Wang, Guey-Horng; Wu, Yang-Chang; Dai, Chang-Feng; Sheu, Jyh-Horng","Paraminabeolides A-F, cytotoxic and anti-inflammatory marine withanolides from the soft coral Paraminabea acronocephala.","Journal of natural products","2011","74","5","1132","1141","10.1021/np2000705","","","0.71073","mokα","","0.0385","0.037","","","0.0886","0.0894","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501821","6.1059","0.0001","12.3606","0.0002","34.9384","0.0006","90","","90","","90","","2636.89","0.08","293","2","293","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C27.5 H48 O5.5 -","- C27.5 H48 O5.5 -","- C110 H192 O22 -","4","1","","Challinor, Victoria L.; Stuthe, Julia M. U.; Bernhardt, Paul V.; Lehmann, Reginald P.; Kitching, William; De Voss, James J.","Structure and absolute configuration of helosides A and B, new saponins from Chamaelirium luteum.","Journal of natural products","2011","74","7","1557","1560","10.1021/np200100a","","x-ray","1.54184","CuKα","","0.0637","0.0593","","","0.1813","0.1866","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501822","11.9928","0.0003","12.0355","0.0003","12.1352","0.0009","90","","90","","90","","1751.59","0.14","153","","153","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Chemical constituents of a marine fungus, Arthrinium sacchari.","Journal of natural products","2011","74","7","1645","1649","10.1021/np200108h","","","1.54187","CuKα","","","0.0425","","","","0.1015","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501823","11.3885","0.0003","11.8068","0.0005","12.5872","0.0009","90","","90","","90","","1692.5","0.15","153","","153","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Tsukada, Mariko; Fukai, Miyuki; Miki, Kazuhiko; Shiraishi, Takeshi; Suzuki, Toshihiro; Nishio, Kazuto; Sugita, Takashi; Ishino, Masahiro; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Chemical constituents of a marine fungus, Arthrinium sacchari.","Journal of natural products","2011","74","7","1645","1649","10.1021/np200108h","","","1.54187","CuKα","","","0.0415","","","","0.1015","","","","","","1.117","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501825","10.9434","0.0002","12.4201","0.0002","22.1019","0.0004","90","","90","","90","","3004.05","0.09","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O5 -","- C16 H24 O5 -","- C128 H192 O40 -","8","2","","Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang","Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala.","Journal of natural products","2011","74","5","1230","1235","10.1021/np200164k","","","1.54178","CuKα","","0.0391","0.0361","","","0.0912","0.0928","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501827","7.3125","0.0002","12.4303","0.0005","13.9596","0.0007","90","","90","","90","","1268.88","0.09","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Li, Hanxiang; Huang, Hongbo; Shao, Changlun; Huang, Huarong; Jiang, Jieyi; Zhu, Xun; Liu, Yayue; Liu, Lan; Lu, Yongjun; Li, Mengfeng; Lin, Yongcheng; She, Zhigang","Cytotoxic norsesquiterpene peroxides from the endophytic fungus Talaromyces flavus isolated from the mangrove plant Sonneratia apetala.","Journal of natural products","2011","74","5","1230","1235","10.1021/np200164k","","","1.54178","CuKα","","0.0265","0.0258","","","0.0661","0.0666","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501829","8.0495","0.0003","17.7248","0.0006","19.2463","0.0007","90","","90","","90","","2745.98","0.17","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C120 H184 O16 -","4","1","","Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung","Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa.","Journal of natural products","2011","74","8","1744","1750","10.1021/np2002435","","x-ray","0.71073","MoKα","","0.0569","0.0444","","","0.1066","0.1109","","","","","","0.934","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501830","11.1004","0.0002","12.7518","0.0003","20.9205","0.0004","90","","90","","90","","2961.3","0.1","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","1","","Cheng, Shi-Yie; Wang, Chao-Min; Hsu, Yuan-Man; Huang, Tsurng-Juhn; Chou, Shen-Chieh; Lin, En-Hung; Chou, Chang-Hung","Oleanane-type triterpenoids from the leaves and twigs of Fatsia polycarpa.","Journal of natural products","2011","74","8","1744","1750","10.1021/np2002435","","x-ray","0.71073","MoKα","","0.0616","0.0519","","","0.1487","0.1534","","","","","","1.009","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501833","9.873","0.002","14.759","0.004","15.008","0.003","90","","90","","90","","2186.9","0.9","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C96 H152 O20 -","4","1","","Ciavatta, Maria Letizia; Manzo, Emiliano; Mollo, Ernesto; Mattia, Carlo Andrea; Tedesco, Consiglia; Irace, Carlo; Guo, Yue-Wei; Li, Xiu-Bao; Cimino, Guido; Gavagnin, Margherita","Tritoniopsins A-D, cladiellane-based diterpenes from the South China Sea nudibranch Tritoniopsis elegans and its prey Cladiella krempfi.","Journal of natural products","2011","74","9","1902","1907","10.1021/np200342k","","","1.54178","CuKα","","0.0985","0.0691","","","0.1886","0.2781","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501836","8.4601","0.0017","11.033","0.002","18.202","0.004","90","","90","","90","","1699","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O10 -","- C14.92 H20.56 O10 -","- C59.68 H82.24 O40 -","4","1","","Yu, Yang; Song, Weixia; Zhu, Chenggen; Lin, Sheng; Zhao, Feng; Wu, Xiuli; Yue, Zhenggang; Liu, Bo; Wang, Sujuan; Yuan, Shaopeng; Hou, Qi; Shi, Jiangong","Homosecoiridoids from the flower buds of Lonicera japonica.","Journal of natural products","2011","74","10","2151","2160","10.1021/np2004566","","","1.54178","CuKα","","0.0864","0.0658","","","0.1517","0.1682","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501837","8.8119","0.0005","11.8088","0.0004","25.8659","0.0015","90","","90","","90","","2691.6","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","1","","Rateb, Mostafa E.; Houssen, Wael E.; Harrison, William T. A.; Deng, Hai; Okoro, Chinyere K.; Asenjo, Juan A.; Andrews, Barbara A.; Bull, Alan T.; Goodfellow, Michael; Ebel, Rainer; Jaspars, Marcel","Diverse metabolic profiles of a Streptomyces strain isolated from a hyper-arid environment.","Journal of natural products","2011","74","9","1965","1971","10.1021/np200470u","","","0.71073","MoKα","","0.0627","0.0444","","","0.0863","0.0939","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501838","10.2388","0.0005","12.9739","0.0008","30.5211","0.0016","90","","90","","90","","4054.3","0.4","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H56 O15 -","- C39 H56 O15 -","- C156 H224 O60 -","4","1","","Xu, Jing; Guo, Yuanqiang; Xie, Chunfeng; Li, Yushan; Gao, Jie; Zhang, Tiejun; Hou, Wenbin; Fang, Lingzhi; Gui, Liping","Bioactive myrsinol diterpenoids from the roots of Euphorbia prolifera.","Journal of natural products","2011","74","10","2224","2230","10.1021/np200591h","","","1.54187","CuKα","","0.052","0.0503","","","0.1106","0.1132","","","","","","1.113","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501846","7.541","0.008","10.852","0.011","36.43","0.04","90","","90","","90","","2981","5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 O4 -","- C32 H52 O4 -","- C128 H208 O16 -","4","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.1295","0.0833","","","0.2153","0.2472","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501847","7.299","0.005","16.568","0.012","23.238","0.017","90","","90","","90","","2810","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O5 -","- C31 H46 O5 -","- C124 H184 O20 -","4","1","","Huang, Hong-Li; Wang, Chun-Ming; Wang, Zhen-Hua; Yao, Ming-Jun; Han, Guang-Tian; Yuan, Ji-Cheng; Gao, Kun; Yuan, Cheng-Shan","Tirucallane-type triterpenoids from Dysoxylum lenticellatum.","Journal of natural products","2011","74","10","2235","2242","10.1021/np2006296","","","0.71073","MoKα","","0.1234","0.0572","","","0.1087","0.1358","","","","","","1.008","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501848","10.389","0.0002","10.4473","0.0002","23.0709","0.0004","90","","90","","90","","2504.05","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Alstoumerine","","","- C22 H26 Cl6 N2 O2 -","- C22 H26 Cl6 N2 O2 -","- C88 H104 Cl24 N8 O8 -","4","1","","Lim, Siew-Huah; Tan, Shin-Jowl; Low, Yun-Yee; Kam, Toh-Seok","Lumutinines A-D, linearly fused macroline-macroline and macroline-sarpagine bisindoles from Alstonia macrophylla.","Journal of natural products","2011","74","12","2556","2562","10.1021/np200730j","","","0.71073","MoKα","","0.0493","0.0397","","","0.0827","0.0867","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501857","12.0135","0.0003","12.644","0.0003","13.0635","0.0004","90","","90","","90","","1984.33","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Fe O6 S -","- C20 H20 Fe O6 S -","- C80 H80 Fe4 O24 S4 -","4","1","","Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S.","Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.","Organic letters","2011","13","1","58","61","10.1021/ol102472g","","","1.54178","CuKα","","0.0237","0.0232","","","0.0613","0.0615","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501858","6.1275","0.0001","9.7503","0.0001","35.2888","0.0005","90","","90","","90","","2108.33","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Fe O6 S -","- C21 H22 Fe O6 S -","- C84 H88 Fe4 O24 S4 -","4","1","","Paley, Robert S.; Laupheimer, Madeleine C.; Erskine, Nathaniel A. K.; Rablen, Paul R.; Pike, Robert D.; Jones, James S.","Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.","Organic letters","2011","13","1","58","61","10.1021/ol102472g","","","1.54178","CuKα","","0.0307","0.0272","","","0.0656","0.0667","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501864","11.15","0.007","11.305","0.008","31.2","0.03","90","","90","","90","","3933","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O2 S -","- C23 H20 O2 S -","- C184 H160 O16 S8 -","8","2","","Antczak, Monika I.; Cai, Feng; Ready, Joseph M.","Asymmetric synthesis of tertiary benzylic alcohols.","Organic letters","2011","13","2","184","187","10.1021/ol102567h","","","0.71069","MoKα","","0.1914","0.0709","","","0.1861","0.2301","","","","","","0.847","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501870","5.4202","0.0011","10.233","0.002","18.723","0.004","90","","90","","90","","1038.5","0.4","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 O2 -","- C11 H18 O2 -","- C44 H72 O8 -","4","1","","Chen, Yan; Ju, Tong","Enantioselective synthesis of A key A-ring intermediate for the preparation of 1α,25-dihydroxyvitamin D(3).","Organic letters","2011","13","1","86","89","10.1021/ol102586w","","","0.71073","MoKα","","0.0389","0.0362","","","0.0877","0.0908","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501876","7.5957","0.0013","11.494","0.002","21.526","0.004","90","","90","","90","","1879.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C84 H80 Br4 N4 O16 -","4","1","","Jin, Zhichao; Wang, Xiao; Huang, Huicai; Liang, Xinmiao; Ye, Jinxing","Diastereo- and enantioselective synthesis of oxazine and oxazolidine derivatives with a chiral quaternary carbon center under multifunctional catalysis.","Organic letters","2011","13","4","564","567","10.1021/ol102643a","","","0.71073","MoKα","","0.0879","0.0449","","","0.0897","0.0966","","","","","","0.811","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501894","8.007","0.0002","15.022","0.0006","17.487","0.0007","90","","90","","90","","2103.36","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 N2 O3 S -","- C25 H20 N2 O3 S -","- C100 H80 N8 O12 S4 -","4","1","","Barroso, Santiago; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R","Highly enantioselective nitrone cycloadditions with 2-alkenoyl pyridine N-oxides catalyzed by Cu(II)-BOX complexes.","Organic letters","2011","13","3","402","405","10.1021/ol102716e","","","0.71073","MoKα","","0.0722","0.05","","","0.1409","0.1678","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501904","10.3366","0.0001","10.93","0.0001","23.5701","0.0003","90","","90","","90","","2662.93","0.05","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O10 -","- C28 H38 O10 -","- C112 H152 O40 -","4","1","","Lin, Yu-Chi; Lo, I-Wen; Chen, Shun-Ying; Lin, Pi-Han; Chien, Ching-Te; Chang, Sui-yuan; Shen, Ya-Ching","Schinarisanlactone A, a new bisnortriterpenoid from Schisandra arisanensis.","Organic letters","2011","13","3","446","449","10.1021/ol102772j","","","1.54178","CuKα","","0.0591","0.0523","","","0.1432","0.1484","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501909","11.083","0.001","12.964","0.001","14.977","0.001","90","","90","","90","","2151.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C112 H96 O8 -","4","1","","Wen, Bo; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of 1,4-naphthoquinone methides via acid-catalyzed cascade cyclizations of benzannulated enediynyl alcohols.","Organic letters","2011","13","1","168","171","10.1021/ol102793a","","","0.71073","MoKα","","0.0512","0.0429","","","0.1104","0.1177","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501910","6.1374","0.0004","11.8458","0.0007","30.2363","0.0018","90","","90","","90","","2198.3","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O2 -","- C29 H26 O2 -","- C116 H104 O8 -","4","1","","Wen, Bo; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of 1,4-naphthoquinone methides via acid-catalyzed cascade cyclizations of benzannulated enediynyl alcohols.","Organic letters","2011","13","1","168","171","10.1021/ol102793a","","","0.71073","MoKα","","0.047","0.0421","","","0.1089","0.1136","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501930","8.98499","0.00016","16.8485","0.0003","23.4132","0.0004","90","","90","","90","","3544.37","0.11","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-5,5'-Bis(diphenylphosphanyl)-1,3,6,8,1',3',6',8'-octahydro- [4,4']bi[2,7-dioxaasindacenyl]","","- C44 H36 O4 P2 -","- C44 H36 O4 P2 -","- C176 H144 O16 P8 -","4","1","","Mori, Fumiya; Fukawa, Naohiro; Noguchi, Keiichi; Tanaka, Ken","Asymmetric synthesis of axially chiral biaryl diphosphine ligands by rhodium-catalyzed enantioselective intramolecular double [2 + 2 + 2] cycloaddition.","Organic letters","2011","13","3","362","365","10.1021/ol102927y","","","1.54187","CuKα","","0.0322","0.0319","","","0.0822","0.0826","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501935","7.659","0.003","14.452","0.005","26.66","0.009","90","","90","","90","","2950.9","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl N2 -","- C19 H15 Cl N2 -","- C152 H120 Cl8 N16 -","8","2","","Li, Shaoyu; Wu, Jie","Synthesis of H-pyrazolo[5,1-a]isoquinolines via copper(II)-catalyzed oxidation of an aliphatic C-H bond of tertiary amine in air.","Organic letters","2011","13","4","712","715","10.1021/ol102939r","","","0.71073","MoKα","","0.0765","0.0598","","","0.117","0.1253","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501949","5.93358","0.00011","17.3531","0.0004","18.7692","0.0014","90","","90","","90","","1932.59","0.16","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O2 S Si -","- C18 H25 N O2 S Si -","- C72 H100 N4 O8 S4 Si4 -","4","1","","Yazaki, Ryo; Kumagai, Naoya; Shibasaki, Masakatsu","Enantioselective synthesis of a GPR40 agonist AMG 837 via catalytic asymmetric conjugate addition of terminal alkyne to α,β-unsaturated thioamide.","Organic letters","2011","13","5","952","955","10.1021/ol102998w","","","1.54187","CuKα","","","0.0313","","","","0.0793","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501950","5.57254","0.0001","11.2226","0.0002","32.524","0.002","90","","90","","90","","2034","0.14","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","1","","Buesking, Andrew W.; Baguley, Tyler D.; Ellman, Jonathan A.","Asymmetric synthesis of amines by the Knochel-type MgCl2-enhanced addition of benzyl zinc reagents to N-tert-butanesulfinyl aldimines.","Organic letters","2011","13","5","964","967","10.1021/ol103002t","","","1.54187","CuKα","","","0.0691","","","","0.2016","","","","","","1.118","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501951","8.7454","0.0002","10.5113","0.0003","18.0667","0.0013","90","","90","","90","","1660.79","0.13","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 F N O S -","- C16 H26 F N O S -","- C64 H104 F4 N4 O4 S4 -","4","1","","Buesking, Andrew W.; Baguley, Tyler D.; Ellman, Jonathan A.","Asymmetric synthesis of amines by the Knochel-type MgCl2-enhanced addition of benzyl zinc reagents to N-tert-butanesulfinyl aldimines.","Organic letters","2011","13","5","964","967","10.1021/ol103002t","","","1.54187","CuKα","","","0.0769","","","","0.2081","","","","","","1.12","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501956","7.74","0.006","13.342","0.01","24.64","0.018","90","","90","","90","","2545","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Br Cl2 N2 O3 -","- C25 H23 Br Cl2 N2 O3 -","- C100 H92 Br4 Cl8 N8 O12 -","4","1","","Jia, Zhen-Xin; Luo, Yong-Chun; Xu, Peng-Fei","Highly enantioselective synthesis of polysubstituted tetrahydroquinolines via organocatalytic Michael/Aza-Henry tandem reactions.","Organic letters","2011","13","5","832","835","10.1021/ol103069d","","","0.71073","MoKα","","0.1635","0.0498","","","0.1063","0.1426","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501964","11.4404","0.0003","12.2759","0.0003","14.3996","0.0004","90","","90","","90","","2022.3","0.09","1","","1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 I2 N O5 -","- C16 H27 I2 N O5 -","- C64 H108 I8 N4 O20 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of polyhydroxylated pyrrolizidines via transannular iodoamination with concomitant N-debenzylation.","Organic letters","2011","13","7","1594","1597","10.1021/ol103090z","","","0.71073","MoKα","","0.0439","0.0377","","0.0898","0.0842","0.0898","","","","","","0.8829","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501971","10.3923","0.0008","10.6376","0.0008","15.6535","0.0014","90","","90","","90","","1730.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 B O6 -","- C17 H23 B O6 -","- C68 H92 B4 O24 -","4","1","","Hager, Anastasia; Mazunin, Dmitry; Mayer, Peter; Trauner, Dirk","Synthetic studies toward A-74528.","Organic letters","2011","13","6","1386","1389","10.1021/ol103117j","","","0.71073","MoKα","","0.0896","0.044","","","0.085","0.0922","","","","","","0.803","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501980","8.0356","0.0007","11.0921","0.001","17.5466","0.0016","90","","90","","90","","1564","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O5 -","- C15 H20 Cl N O5 -","- C60 H80 Cl4 N4 O20 -","4","1","","Emerson, Christopher R.; Zakharov, Lev N.; Blakemore, Paul R.","Iterative stereospecific reagent-controlled homologation using a functionalized α-chloroalkyllithium: synthesis of cyclic targets related to epibatidine.","Organic letters","2011","13","6","1318","1321","10.1021/ol103170y","","","0.71073","MoKα","","0.03","0.0291","","","0.0777","0.0788","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501987","5.8373","0.0004","18.1668","0.0013","21.7172","0.0015","90","","90","","90","","2303","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N2 O4 -","- C23 H27 Cl N2 O4 -","- C92 H108 Cl4 N8 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.0849","0.0556","","","0.1318","0.1464","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501988","5.8869","0.0004","12.4397","0.0009","30.019","0.002","90","","90","","90","","2198.3","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br N2 O4 -","- C23 H25 Br N2 O4 -","- C92 H100 Br4 N8 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Hsu, Che-Sheng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Dynamic kinetic asymmetric synthesis of five contiguous stereogenic centers by sequential organocatalytic stetter and Michael-aldol reaction: enantioselective synthesis of fully substituted cyclopentanols bearing a quaternary stereocenter.","Organic letters","2011","13","6","1338","1341","10.1021/ol200006e","","","0.71073","MoKα","","0.0524","0.035","","","0.0766","0.089","","","","","","0.966","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502021","8.466","0.005","9.68","0.003","16.183","0.007","90","","90","","90","","1326.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Kumar, Arepalli Sateesh; Nagarajan, Rajagopal","Synthesis of α-carbolines via Pd-catalyzed amidation and Vilsmeier-Haack reaction of 3-acetyl-2-chloroindoles.","Organic letters","2011","13","6","1398","1401","10.1021/ol2000827","","","0.71073","MoKα","","0.1142","0.0514","","","0.0881","0.1021","","","","","","0.829","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502027","8.4428","0.0006","10.0656","0.0007","32.412","0.002","90","","90","","90","","2754.4","0.3","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Br O4 -","- C29 H41 Br O4 -","- C116 H164 Br4 O16 -","4","1","","Lin, Hongkun; Pochapsky, Susan S.; Krauss, Isaac J.","A short asymmetric route to the bromophycolide A and D skeleton.","Organic letters","2011","13","5","1222","1225","10.1021/ol200099n","","","0.71073","MoKα","","0.0427","0.0331","","0.0673","0.0657","0.0673","","","","","","0.9653","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502028","8.3737","0.0003","12.6257","0.0005","21.4999","0.0008","90","","90","","90","","2273.05","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H20 N2 O -","- C34 H20 N2 O -","- C136 H80 N8 O4 -","4","1","","Chen, Jinshui; Captain, Burjor; Takenaka, Norito","Helical chiral 2,2'-bipyridine N-monoxides as catalysts in the enantioselective propargylation of aldehydes with allenyltrichlorosilane.","Organic letters","2011","13","7","1654","1657","10.1021/ol200102c","","","0.71073","MoKα","","0.045","0.0391","","","0.106","0.1122","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502049","5.1827","0.0001","8.0456","0.0002","20.4481","0.0005","90","","90","","90","","852.64","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C32 H40 N8 O12 -","4","1","","Hovey, M. Todd; Eklund, Emily J.; Pike, Robert D.; Mainkar, Anshul A.; Scheerer, Jonathan R.","Synthesis of (±)-acetylnorloline via stereoselective tethered aminohydroxylation.","Organic letters","2011","13","5","1246","1249","10.1021/ol200155p","","","1.54178","CuKα","","0.0383","0.0319","","","0.0794","0.0833","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502051","7.7364","0.0015","13.139","0.003","24.286","0.005","90","","90","","90","","2468.6","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Br N2 O3 S3 -","- C22 H25 Br N2 O3 S3 -","- C88 H100 Br4 N8 O12 S12 -","4","1","","Liu, Xiaodong; Deng, Leijiao; Song, Hongjin; Jia, Huazhen; Wang, Rui","Asymmetric aza-Mannich addition: synthesis of modified chiral 2-(ethylthio)-thiazolone derivatives with anticancer potency.","Organic letters","2011","13","6","1494","1497","10.1021/ol200185h","","","0.71073","MoKα","","0.0645","0.0386","","","0.0737","0.0827","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502053","16.1277","0.0006","18.8951","0.0006","20.979","0.0015","90","","90","","90","","6393","0.6","123.1","","123.1","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C70 H72 Br Li N2 O8.5 P2 Ru -","- C70 H68 Br Li N2 O8.5 P2 Ru -","- C280 H272 Br4 Li4 N8 O34 P8 Ru4 -","4","1","","Kurono, Nobuhito; Yoshikawa, Tatsuya; Yamasaki, Mikio; Ohkuma, Takeshi","Enantioselective hydrocyanation of aldehydes catalyzed by [Li{Ru(phgly)2(binap)}]X (X = Cl, Br).","Organic letters","2011","13","5","1254","1257","10.1021/ol200187d","","","0.71075","MoKα","","","0.0465","","","","0.1113","","","","","","1.003","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502067","10.8154","0.0003","10.8724","0.0004","15.4707","0.0005","90","","90","","90","","1819.19","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 N O4 S -","- C16 H29 N O4 S -","- C64 H116 N4 O16 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0304","0.0274","","","0.0718","0.074","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502068","5.6398","0.0005","15.691","0.0017","20.963","0.002","90","","90","","90","","1855.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 S -","- C17 H29 N O4 S -","- C68 H116 N4 O16 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0592","0.0353","","","0.0717","0.0817","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502070","12.1844","0.0003","12.7928","0.0003","13.5732","0.0004","90","","90","","90","","2115.69","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 I N O2 S -","- C23 H20 I N O2 S -","- C92 H80 I4 N4 O8 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.027","0.0239","","","0.0562","0.058","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502071","8.0511","0.0002","14.6698","0.0004","16.0269","0.0005","90","","90","","90","","1892.91","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O2 S -","- C21 H22 Br N O2 S -","- C84 H88 Br4 N4 O8 S4 -","4","1","","Brichacek, Matthew; Villalobos, Mauricio Navarro; Plichta, Alexandra; Njardarson, Jon T.","Stereospecific ring expansion of chiral vinyl aziridines.","Organic letters","2011","13","5","1110","1113","10.1021/ol200263g","","","0.71073","MoKα","","0.0395","0.0299","","","0.0603","0.0628","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502088","5.8014","0.0003","8.9652","0.0004","26.0067","0.001","90","","90","","90","","1352.63","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-1-phenylpropan-1-one","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Rohr, Kerstin; Mahrwald, Rainer","Stereoselective direct amine-catalyzed decarboxylative aldol addition.","Organic letters","2011","13","7","1878","1880","10.1021/ol200412r","","","0.71073","MoKα","","0.0493","0.0413","","","0.1085","0.12","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502089","6.224","0.003","17.136","0.007","49.434","0.019","90","","90","","90","","5272","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O4 S -","- C16 H18 Br N O4 S -","- C192 H216 Br12 N12 O48 S12 -","12","3","","Terada, Masahiro; Ando, Kenichi","Enantioselective direct vinylogous Michael addition of functionalized furanones to nitroalkenes catalyzed by an axially chiral guanidine base.","Organic letters","2011","13","8","2026","2029","10.1021/ol200415u","","","0.71073","MoKα","","0.0861","0.0698","","","0.1491","0.1569","","","","","","1.146","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502091","8.3963","0.0004","11.4021","0.0005","26.4261","0.0012","90","","90","","90","","2529.9","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N O4 -","- C30 H33 N O4 -","- C120 H132 N4 O16 -","4","1","","Anwar, Shaik; Chang, Hui-Ju; Chen, Kwunmin","Organocatalytic synthesis of multiple substituted bicyclo[4.4.0]decalin system.","Organic letters","2011","13","9","2200","2203","10.1021/ol200424x","","","0.71073","MoKα","","0.0682","0.0459","","","0.1055","0.1231","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502092","8.39","0.005","22.555","0.015","23.123","0.017","90","","90","","90","","4376","5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 Cl2 N4 O12 -","- C47 H50 Cl2 N4 O12 -","- C188 H200 Cl8 N16 O48 -","4","1","","Anwar, Shaik; Chang, Hui-Ju; Chen, Kwunmin","Organocatalytic synthesis of multiple substituted bicyclo[4.4.0]decalin system.","Organic letters","2011","13","9","2200","2203","10.1021/ol200424x","","","0.71073","MoKα","","0.2795","0.0986","","","0.1819","0.2462","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502095","9.5185","0.0003","10.7567","0.0004","16.0768","0.0005","90","","90","","90","","1646.07","0.1","93.1","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O4 -","- C16 H24 N2 O4 -","- C64 H96 N8 O16 -","4","1","","Takita, Satoshi; Yokoshima, Satoshi; Fukuyama, Tohru","A practical synthesis of (-)-kainic acid.","Organic letters","2011","13","8","2068","2070","10.1021/ol200434a","","","1.54187","CuKα","","","0.0348","","","","0.0933","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502103","11.01","0.005","18.968","0.008","33.023","0.015","90","","90","","90","","6896","5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C67 H92 B4 N2 O15 -","- C67 H92 B4 N2 O15 -","- C268 H368 B16 N8 O60 -","4","1","","Teraoka, Takuro; Hiroto, Satoru; Shinokubo, Hiroshi","Iridium-catalyzed direct tetraborylation of perylene bisimides.","Organic letters","2011","13","10","2532","2535","10.1021/ol2004534","","","0.71073","MoKα","","0.2252","0.0918","","","0.224","0.3186","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502104","10.7654","0.0002","19.089","0.0003","23.5235","0.0003","90","","90","","90","","4834.1","0.13","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25.5 H29.5 N1.5 O3.5 P -","- C25.5 H29.5 N1.5 O3.5 P -","- C204 H236 N12 O28 P8 -","8","2","","Ingle, Gajendrasingh K.; Liang, Yuxue; Mormino, Michael G.; Li, Guilong; Fronczek, Frank R.; Antilla, Jon C.","Chiral magnesium BINOL phosphate-catalyzed phosphination of imines: access to enantioenriched α-amino phosphine oxides.","Organic letters","2011","13","8","2054","2057","10.1021/ol200456y","","","1.54178","CuKα","","0.03","0.028","","","0.068","0.07","","","","","","1.03","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502108","8.8027","0.0002","9.9264","0.0002","13.7092","0.0003","90","","90","","90","","1197.9","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","0.71073","MoKα","","0.0258","0.0245","","","","0.0632","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502110","10.7398","0.0003","8.2057","0.0002","25.488","0.0009","90","","90","","90","","2246.2","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O5 Si -","- C22 H31 N O5 Si -","- C88 H124 N4 O20 Si4 -","4","1","","Egan, Ben A.; Paradowski, Michael; Thomas, Lynne H.; Marquez, Rodolfo","Regiocontrolled rearrangement of isobenzofurans.","Organic letters","2011","13","8","2086","2089","10.1021/ol200498k","","","1.54184","CuKα","","0.0534","0.0391","","","0.0854","0.0919","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502111","12.146","0.0016","12.8011","0.0015","18.387","0.003","90","","90","","90","","2858.9","0.7","220","2","220","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","2","","Ushakov, Dmitry B.; Navickas, Vaidotas; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Sasse, Florenz; Maier, Martin E.","Total synthesis and biological evaluation of (-)-9-deoxy-englerin A.","Organic letters","2011","13","8","2090","2093","10.1021/ol200499t","","","0.71073","MoKα","","0.0433","0.03","","","0.0546","0.0567","","","","","","0.851","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502112","7.5572","0.0008","8.5747","0.0009","17.595","0.003","90","","90","","90","","1140.2","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Ushakov, Dmitry B.; Navickas, Vaidotas; Ströbele, Markus; Maichle-Mössmer, Cäcilia; Sasse, Florenz; Maier, Martin E.","Total synthesis and biological evaluation of (-)-9-deoxy-englerin A.","Organic letters","2011","13","8","2090","2093","10.1021/ol200499t","","","0.71073","MoKα","","0.0559","0.0504","","","0.1219","0.1251","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502133","10.774","0.0006","14.2273","0.0008","19.8345","0.0011","90","","90","","90","","3040.3","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Br N2 O7 -","- C32 H29 Br N2 O7 -","- C128 H116 Br4 N8 O28 -","4","1","","Duan, Shu-Wen; An, Jing; Chen, Jia-Rong; Xiao, Wen-Jing","Facile synthesis of enantioenriched Cγ-tetrasubstituted α-amino acid derivatives via an asymmetric nucleophilic addition/protonation cascade.","Organic letters","2011","13","9","2290","2293","10.1021/ol200550y","","","0.71073","MoKα","","0.0752","0.0438","","","0.1119","0.126","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502143","9.6818","0.0004","14.3637","0.0005","15.1077","0.0006","90","","90","","90","","2100.97","0.14","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Bentley, Scott A.; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Conjugate addition of lithium N-phenyl-N-(α-methylbenzyl)amide: application to the asymmetric synthesis of (R)-(-)-angustureine.","Organic letters","2011","13","10","2544","2547","10.1021/ol200625h","","","0.71073","MoKα","","0.0399","0.0362","","0.0904","0.0883","0.0904","","","","","","1.0132","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502146","8.066","0.005","8.898","0.005","34.816","0.005","90","0.005","90","0.005","90","0.005","2499","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O8 -","- C24 H25 Br N2 O8 -","- C96 H100 Br4 N8 O32 -","4","1","","Cheng, Mou-Nuo; Wang, Hao; Gong, Liu-Zhu","Asymmetic organocatalytic 1,3-dipolar cycloaddition of azomethine ylide to methyl 2-(2-nitrophenyl)acrylate for the synthesis of diastereoisomers of spirotryprostatin A.","Organic letters","2011","13","9","2418","2421","10.1021/ol200652j","","","0.71073","MoKα","","0.092","0.0499","","","0.1274","0.132","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502154","8.9833","0.0002","10.722","0.0003","13.0616","0.0004","90","","90","","90","","1258.08","0.06","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl N -","- C13 H18 Cl N -","- C52 H72 Cl4 N4 -","4","1","","Yoshida, Akiko; Hattori, Gaku; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic amination of nonaromatic propargylic esters with amines.","Organic letters","2011","13","9","2460","2463","10.1021/ol200703g","","","0.71075","MoKα","","","0.0229","","","","0.062","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502155","10.1029","0.0002","12.3851","0.0002","30.521","0.0006","90","","90","","90","","3818.95","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C192 H168 O36 -","12","3","","Hodgson, David M.; Talbot, Eric P. A.; Clark, Barry P.","Stereoselective synthesis of β-(hydroxymethylaryl/alkyl)-α-methylene-γ-butyrolactones.","Organic letters","2011","13","10","2594","2597","10.1021/ol200711f","","","1.54178","CuKα","","0.0404","0.0364","","","0.0964","0.1004","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502171","10.3359","0.0006","14.861","0.001","19.5709","0.0011","90","","90","","90","","3006.1","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 N O3 -","- C38 H39 N O3 -","- C152 H156 N4 O12 -","4","1","","Luan, Yi; Schaus, Scott E.","Multicomponent Mannich reactions with boron enolates derived from diazo esters and 9-BBN.","Organic letters","2011","13","9","2510","2513","10.1021/ol200766t","","","0.71073","MoKα","","0.0665","0.0437","","","0.084","0.0929","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502187","5.7541","0.0003","12.5905","0.0007","28.0403","0.0015","90","","90","","90","","2031.44","0.19","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C88 H88 Br8 O16 -","8","2","","Tan, Chong Kiat; Zhou, Ling; Yeung, Ying-Yeung","Aminothiocarbamate-catalyzed asymmetric bromolactonization of 1,2-disubstituted olefinic acids.","Organic letters","2011","13","10","2738","2741","10.1021/ol200840e","","","0.71073","MoKα","","0.0438","0.0352","","","0.0783","0.0811","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502189","6.4067","0.0002","13.1037","0.0004","21.1126","0.0006","90","","90","","90","","1772.43","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O2 S -","- C21 H22 O2 S -","- C84 H88 O8 S4 -","4","1","","Thaler, Tobias; Guo, Li-Na; Steib, Andreas K.; Raducan, Mihai; Karaghiosoff, Konstantin; Mayer, Peter; Knochel, Paul","Sulfoxide-alkene hybrids: a new class of chiral ligands for the Hayashi-Miyaura reaction.","Organic letters","2011","13","12","3182","3185","10.1021/ol200841x","","","0.71073","MoKα","","0.0373","0.0316","","","0.072","0.075","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502199","8.4887","0.0013","10.4646","0.0016","16.491","0.003","90","","90","","90","","1464.9","0.4","571","2","571","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Wang, Peng-Cheng; Ran, Xin-Hui; Luo, Huai-Rong; Hu, Jiang-Miao; Chen, Rui; Ma, Qing-Yun; Dai, Hao-Fu; Liu, Yu-Qing; Xie, Ming-Jin; Zhou, Jun; Zhao, You-Xing","Volvalerelactones A and B, two new sesquiterpenoid lactones with an unprecedented skeleton from Valeriana officinalis var. latifolia.","Organic letters","2011","13","12","3036","3039","10.1021/ol200878w","","","0.71073","MoKα","","0.0996","0.0542","","","0.1007","0.1191","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502200","13.27","0.004","13.618","0.005","16.073","0.005","90","","90","","90","","2904.6","1.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O6 -","- C30 H46 O6 -","- C120 H184 O24 -","4","1","","Wang, Peng-Cheng; Ran, Xin-Hui; Luo, Huai-Rong; Hu, Jiang-Miao; Chen, Rui; Ma, Qing-Yun; Dai, Hao-Fu; Liu, Yu-Qing; Xie, Ming-Jin; Zhou, Jun; Zhao, You-Xing","Volvalerelactones A and B, two new sesquiterpenoid lactones with an unprecedented skeleton from Valeriana officinalis var. latifolia.","Organic letters","2011","13","12","3036","3039","10.1021/ol200878w","","","0.71073","MoKα","","0.3375","0.0803","","","0.1159","0.1805","","","","","","0.898","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502204","5.8864","0.0002","13.4539","0.0004","20.4973","0.0006","90","","90","","90","","1623.28","0.09","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 S -","- C15 H21 N O4 S -","- C60 H84 N4 O16 S4 -","4","1","","Churches, Quentin I.; White, Jonathan M.; Hutton, Craig A.","Synthesis of β,γ-dihydroxyhomotyrosines by a tandem Petasis-asymmetric dihydroxylation approach.","Organic letters","2011","13","11","2900","2903","10.1021/ol200917s","","","1.5418","CuKα","","0.0356","0.035","","","0.0949","0.0954","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502206","8.6811","0.0003","13.9912","0.0004","48.0454","0.0015","90","","90","","90","","5835.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O3 Se -","- C23 H19 N O3 Se -","- C276 H228 N12 O36 Se12 -","12","3","","Marcos, Vanesa; Alemán, Jose; Ruano, Jose L Garcia; Marini, Francesca; Tiecco, Marcello","Asymmetric synthesis of α-alkyl α-selenocarbonyl compounds catalyzed by bifunctional organocatalysts.","Organic letters","2011","13","12","3052","3055","10.1021/ol200923p","","","1.54178","CuKα","","0.0287","0.0277","","","0.0673","0.0679","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502208","10.487","0.0008","11.7829","0.0008","12.0638","0.0008","90","","90","","90","","1490.69","0.18","293","2","292.85","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","","Zhou, Lin; Lin, Lili; Ji, Jie; Xie, Mingsheng; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric vinylogous Mannich-type (AVM) reaction of nonactivated α-angelica lactone.","Organic letters","2011","13","12","3056","3059","10.1021/ol200939t","","","0.7107","MoKα","","0.065","0.0475","","","0.1031","0.1146","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502213","8.7316","0.0008","11.9598","0.0011","16.9623","0.0015","90","","90","","90","","1771.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O7 -","- C17 H25 N O7 -","- C68 H100 N4 O28 -","4","1","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","0.71073","MoKα","","0.0504","0.0397","","","0.1089","0.1215","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502215","9.897","0.006","11.401","0.008","24.683","0.016","90","","90","","90","","2785","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O8 -","- C31 H29 N O8 -","- C124 H116 N4 O32 -","4","1","","Shing, Tony K. M.; So, King H.","Facile and enantiospecific syntheses of (6S,7R)-6-chloro-7-benzyloxy-, (7S)-halo-, and (7S)-hydroxy-cocaine and natural (-)-cocaine from D-(-)-ribose.","Organic letters","2011","13","11","2916","2919","10.1021/ol2009686","","","0.71073","MoKα","","0.1712","0.0781","","","0.1676","0.2127","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502219","10.3798","0.0009","14.597","0.0014","18.4891","0.0018","90","","90","","90","","2801.4","0.5","293","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Cl F O4 -","- C30 H32 Cl F O4 -","- C120 H128 Cl4 F4 O16 -","4","1","","Shibatomi, Kazutaka; Narayama, Akira; Soga, Yoshinori; Muto, Tsubasa; Iwasa, Seiji","Enantioselective gem-chlorofluorination of active methylene compounds using a chiral spiro oxazoline ligand.","Organic letters","2011","13","11","2944","2947","10.1021/ol201007e","","","0.71069","MoKα","","0.0785","0.0631","","","0.147","0.1569","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502223","7.2964","0.0003","13.4415","0.0006","27.0296","0.0012","90","","90","","90","","2650.9","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 F6 N3 O3 -","- C30 H25 F6 N3 O3 -","- C120 H100 F24 N12 O12 -","4","1","","Knight, John D.; Sauer, Scott J.; Coltart, Don M.","Asymmetric total synthesis of the antimalarial drug (+)-mefloquine hydrochloride via chiral N-amino cyclic carbamate hydrazones.","Organic letters","2011","13","12","3118","3121","10.1021/ol2010193","","","0.71073","MoKα","","0.0459","0.0428","","","0.1002","0.1018","","","","","","1.111","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502226","10.792","0.009","15.356","0.012","17.73","0.014","90","","90","","90","","2938","4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 N2 O8 S -","- C29 H32 N2 O8 S -","- C116 H128 N8 O32 S4 -","4","1","","Yao, Ming; Lu, Chong-Dao","Three-component reactions of sulfonylimidates, silyl glyoxylates and N-tert-butanesulfinyl aldimines: an efficient, diastereoselective, and enantioselective synthesis of Cyclic N-sulfonylamidines.","Organic letters","2011","13","10","2782","2785","10.1021/ol201029b","","","0.71073","MoKα","","0.109","0.0509","","","0.0994","0.1218","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502266","5.8247","0.0005","13.4193","0.0012","19.193","0.0017","90","","90","","90","","1500.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.0409","0.0386","","","0.1066","0.1084","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502267","5.5936","0.0005","13.6523","0.0012","20.192","0.0017","90","","90","","90","","1542","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Wang, Lu; Li, Guijie; Liu, Yuanhong","Gold-catalyzed deacylative cycloisomerization reactions of 3-acylindole/ynes: a new approach for carbazole synthesis.","Organic letters","2011","13","15","3786","3789","10.1021/ol2012154","","","0.71073","MoKα","","0.04","0.0363","","","0.0875","0.0897","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502273","9.928","0.003","10.295","0.003","17.911","0.005","90","","90","","90","","1830.7","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Shacklady-McAtee, Danielle M; Dasgupta, Srimoyee; Watson, Mary P.","Nickel(0)-catalyzed cyclization of N-benzoylaminals for isoindolinone synthesis.","Organic letters","2011","13","13","3490","3493","10.1021/ol201248c","","","0.71073","MoKα","","0.1002","0.0474","","","0.0819","0.098","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502275","12.1885","0.0002","21.5857","0.0004","23.1276","0.0004","90","","90","","90","","6084.81","0.18","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O2 S -","- C22 H28 N2 O2 S -","- C264 H336 N24 O24 S12 -","12","3","","Hatcher, John M.; Kohler, Mark C.; Coltart, Don M.","Catalytic asymmetric addition of thiols to nitrosoalkenes leading to chiral non-racemic α-sulfenyl ketones.","Organic letters","2011","13","15","3810","3813","10.1021/ol2012633","","","0.71073","MoKα","","0.0582","0.0449","","","0.0987","0.1048","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502276","6.3321","0.0001","9.3119","0.0001","21.7921","0.0004","90","","90","","90","","1284.95","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O3 -","- C13 H14 Br N O3 -","- C52 H56 Br4 N4 O12 -","4","1","","Kwiatkowski, Piotr; Dudziński, Krzysztof; Łyżwa, Dawid","Effect of high pressure on the organocatalytic asymmetric Michael reaction: highly enantioselective synthesis of γ-nitroketones with quaternary stereogenic centers.","Organic letters","2011","13","14","3624","3627","10.1021/ol201275h","","","0.71073","MoKα","","0.0176","0.0166","","","0.0409","0.0418","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502277","9.1006","0.0001","10.0753","0.0002","14.3954","0.0002","90","","90","","90","","1319.93","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Kwiatkowski, Piotr; Dudziński, Krzysztof; Łyżwa, Dawid","Effect of high pressure on the organocatalytic asymmetric Michael reaction: highly enantioselective synthesis of γ-nitroketones with quaternary stereogenic centers.","Organic letters","2011","13","14","3624","3627","10.1021/ol201275h","","","0.71073","MoKα","","0.0173","0.0161","","","0.0399","0.0406","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502279","8.5637","0.0013","12.1843","0.0018","15.3","0.002","90","","90","","90","","1596.4","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Kuang, Yulong; Liu, Xiaohua; Chang, Lu; Wang, Min; Lin, Lili; Feng, Xiaoming","Catalytic asymmetric conjugate allylation of coumarins.","Organic letters","2011","13","15","3814","3817","10.1021/ol201312y","","","1.54186","CuKα","","0.0352","0.0338","","","0.0718","0.0726","","","","","","1.15","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502290","11.1986","0.0002","12.092","0.0002","23.6","0.0004","90","","90","","90","","3195.76","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O14 -","- C29 H36 O14 -","- C116 H144 O56 -","4","1","","Shi, Yi-Ming; Li, Xing-Yao; Li, Xiao-Nian; Luo, Xiao; Xue, Yong-Bo; Liang, Cheng-Qin; Zou, Juan; Kong, Ling-Mei; Li, Yan; Pu, Jian-Xin; Xiao, Wei-Lie; Sun, Han-Dong","Schicagenins A-C: three cagelike nortriterpenoids from leaves and stems of Schisandra chinensis.","Organic letters","2011","13","15","3848","3851","10.1021/ol201366d","","","1.54178","CuKα","","0.0538","0.0527","","","0.1589","0.1606","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502291","9.1634","0.0018","15.94","0.003","28.513","0.006","90","","90","","90","","4164.7","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H43 Cl3 N2 O18 -","- C34 H43 Cl3 N2 O18 -","- C136 H172 Cl12 N8 O72 -","4","1","","Jung, Michael E.; Koch, Pierre","An efficient synthesis of the protected carbohydrate moiety of Brasilicardin A.","Organic letters","2011","13","14","3710","3713","10.1021/ol2013704","","","0.71073","MoKα","","0.077","0.0503","","","0.0992","0.1074","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502294","5.9124","0.0001","11.5275","0.0002","30.0634","0.0004","90","","90","","90","","2048.98","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C96 H104 N8 O24 -","4","1","","Zhao, Bing-Xin; Wang, Ying; Zhang, Dong-Mei; Jiang, Ren-Wang; Wang, Guo-Cai; Shi, Jun-Min; Huang, Xiao-Jun; Chen, Wei-Min; Che, Chun-Tao; Ye, Wen-Cai","Flueggines A and B, two new dimeric indolizidine alkaloids from Flueggea virosa.","Organic letters","2011","13","15","3888","3891","10.1021/ol201410z","","","1.54184","CuKα","","0.0242","0.0236","","","0.0597","0.0601","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502299","7.9106","0.0002","11.5982","0.0003","22.2085","0.0006","90","","90","","90","","2037.6","0.09","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N3 O8 -","- C19 H23 N3 O8 -","- C76 H92 N12 O32 -","4","1","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0262","0.026","","","0.0662","0.0664","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502301","6.8458","0.0002","8.1555","0.0003","27.3235","0.0009","90","","90","","90","","1525.5","0.09","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N3 O7 -","- C13 H17 N3 O7 -","- C52 H68 N12 O28 -","4","1","","Williams, David E.; Dalisay, Doralyn S.; Patrick, Brian O.; Matainaho, Teatulohi; Andrusiak, Kerry; Deshpande, Raamesh; Myers, Chad L.; Piotrowski, Jeff S.; Boone, Charles; Yoshida, Minoru; Andersen, Raymond J.","Padanamides A and B, highly modified linear tetrapeptides produced in culture by a Streptomyces sp. isolated from a marine sediment.","Organic letters","2011","13","15","3936","3939","10.1021/ol2014494","","","1.54178","CuKα","","0.0233","0.0232","","","0.0626","0.0627","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502316","5.176","0.0002","9.5637","0.0004","44.8293","0.0018","90","","90","","90","","2219.13","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N O5 S -","- C23 H24 Cl N O5 S -","- C92 H96 Cl4 N4 O20 S4 -","4","1","","Medeiros, Matthew R.; Schaus, Scott E.; Porco, Jr, John A","A cycloisomerization/Friedel-Crafts alkylation strategy for the synthesis of pyrano[3,4-b]indoles.","Organic letters","2011","13","15","4012","4015","10.1021/ol201532k","","","1.54178","CuKα","","0.039","0.0384","","","0.1022","0.1027","","","","","","1.145","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502322","9.0867","0.0018","12.11","0.002","13.383","0.003","90","","90","","90","","1472.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Hao, Hong-Dong; Li, Yun; Han, Wei-Bo; Wu, Yikang","A hydrogen peroxide based access to qinghaosu (artemisinin).","Organic letters","2011","13","16","4212","4215","10.1021/ol2015434","","","0.71073","MoKα","","0.0489","0.0432","","","0.1077","0.1119","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502325","6.0225","0.0001","19.0267","0.0004","21.5818","0.0004","90","","90","","90","","2473.02","0.08","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O7 -","- C26 H30 N2 O7 -","- C104 H120 N8 O28 -","4","1","","Varga, Szilárd; Jakab, Gergely; Drahos, László; Holczbauer, Tamás; Czugler, Mátyás; Soós, Tibor","Double diastereocontrol in bifunctional thiourea organocatalysis: iterative Michael-Michael-Henry sequence regulated by the configuration of chiral catalysts.","Organic letters","2011","13","20","5416","5419","10.1021/ol201559j","","","1.54187","CuKα","","0.0989","0.0539","","","0.1157","0.1688","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502334","7.6826","0.0007","11.6731","0.0011","21.484","0.002","90","","90","","90","","1926.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br O3 -","- C24 H17 Br O3 -","- C96 H68 Br4 O12 -","4","1","","Rong, Zi-Qiang; Jia, Min-Qiang; You, Shu-Li","Enantioselective N-heterocyclic carbene-catalyzed Michael addition to α,β-unsaturated aldehydes by redox oxidation.","Organic letters","2011","13","15","4080","4083","10.1021/ol201595f","","","0.71073","MoKα","","0.0334","0.0287","","","0.069","0.0707","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502344","10.4782","0.0017","12.795","0.002","12.858","0.002","90","","90","","90","","1723.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Jin, Weiwei; Du, Wangming; Yang, Qin; Yu, Haifeng; Chen, Jiping; Yu, Zhengkun","Regio- and stereoselective synthesis of multisubstituted olefins and conjugate dienes by using α-oxo ketene dithioacetals as the building blocks.","Organic letters","2011","13","16","4272","4275","10.1021/ol201620g","","","0.71073","MoKα","","0.0405","0.032","","","0.0663","0.0691","","","","","","0.941","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502350","7.43712","0.00009","8.62914","0.00009","36.4793","0.0004","90","","90","","90","","2341.09","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 O4 S -","- C28 H32 O4 S -","- C112 H128 O16 S4 -","4","1","","Soni, Rina; Collinson, John-Michael; Clarkson, Guy C.; Wills, Martin","An unexpected directing effect in the asymmetric transfer hydrogenation of α,α-disubstituted ketones.","Organic letters","2011","13","16","4304","4307","10.1021/ol201643v","","","1.54184","CuKα","","0.0335","0.0333","","","0.0839","0.0841","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502363","10.1874","0.0005","10.7672","0.0006","11.9335","0.0006","90","","90","","90","","1308.98","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Carroll, William R.; Zhao, Chen; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","A molecular balance for measuring aliphatic CH-π interactions.","Organic letters","2011","13","16","4320","4323","10.1021/ol201657p","","","0.71073","MoKα","","0.0337","0.0325","","","0.0867","0.0879","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502375","7.1044","0.0006","9.9689","0.0009","17.0887","0.0015","90","","90","","90","","1210.27","0.18","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Zhu, Xi; Lin, Aijun; Shi, Yan; Guo, Jingyu; Zhu, Chengjian; Cheng, Yixiang","Enantioselective synthesis of polycyclic coumarin derivatives catalyzed by an in situ formed primary amine-imine catalyst.","Organic letters","2011","13","16","4382","4385","10.1021/ol201715h","","","0.71073","MoKα","","0.0444","0.0338","","","0.0845","0.0907","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502380","5.8701","0.0005","13.7261","0.0011","26.946","0.002","90","","90","","90","","2171.1","0.3","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11106a","","","- C25 H29 N O4 -","- C25 H29 N O4 -","- C100 H116 N4 O16 -","4","1","","Buchanan, Grant S.; Dai, Huifang; Hsung, Richard P.; Gerasyuto, Aleksey I.; Scheinebeck, Casi M.","Asymmetric aza-[3+3] annulation in the synthesis of indolizidines: an unexpected reversal of regiochemistry.","Organic letters","2011","13","16","4402","4405","10.1021/ol2017438","","","0.71073","MoKα","","0.0674","0.0389","","","0.0772","0.0904","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502383","10.1866","0.0015","13.017","0.002","22.877","0.004","90","","90","","90","","3033.5","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 S2 -","- C33 H39 N O4 S2 -","- C132 H156 N4 O16 S8 -","4","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0646","0.0592","","","0.1218","0.1249","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502384","8.7786","0.0018","14.075","0.003","24.58","0.005","90","","90","","90","","3037.1","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 S2 -","- C33 H39 N O4 S2 -","- C132 H156 N4 O16 S8 -","4","1","","Zhang, Wei; Sato, Kasumi; Kato, Atsushi; Jia, Yue-Mei; Hu, Xiang-Guo; Wilson, Francis X.; van Well, Renate; Horne, Graeme; Fleet, George W. J.; Nash, Robert J.; Yu, Chu-Yi","Synthesis of fully substituted polyhydroxylated pyrrolizidines via Cope-House cyclization.","Organic letters","2011","13","16","4414","4417","10.1021/ol201749c","","","0.71073","MoKα","","0.0672","0.0582","","","0.1045","0.1093","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502393","8.6914","0.0013","12.794","0.002","22.586","0.004","90","","90","","90","","2511.5","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O7 S -","- C26 H25 N O7 S -","- C104 H100 N4 O28 S4 -","4","1","","Peng, Jing; Huang, Xin; Jiang, Lin; Cui, Hai-Lei; Chen, Ying-Chun","Tertiary amine-catalyzed chemoselective and asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates of isatins with propargyl sulfones.","Organic letters","2011","13","17","4584","4587","10.1021/ol201776h","","","0.71073","MoKα","","0.0423","0.0363","","","0.0762","0.0788","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1502399","8.14","0.005","11.896","0.007","12.943","0.007","90","","90","","90","","1253.3","1.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl N O -","- C13 H12 Cl N O -","- C52 H48 Cl4 N4 O4 -","4","1","","Zhang, Xinying; Jia, Xuefei; Fang, Liangliang; Liu, Nan; Wang, Jianji; Fan, Xuesen","Tandem reactions of 1,2-allenic ketones leading to substituted benzenes and α,β-unsaturated nitriles.","Organic letters","2011","13","19","5024","5027","10.1021/ol201789z","","","0.71073","MoKα","","0.0485","0.0358","","","0.0836","0.0925","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502400","9.389","0.0005","15.1811","0.0007","44.014","0.0019","90","","90","","90","","6273.6","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 Br N O3 -","- C38 H42 Br N O3 -","- C304 H336 Br8 N8 O24 -","8","2","","Zhang, Zhihui; Baubet, Valérie; Ventocilla, Christian; Xiang, Chaomei; Dahmane, Nadia; Winkler, Jeffrey D.","Stereoselective synthesis of F-ring saturated estrone-derived inhibitors of Hedgehog signaling based on cyclopamine.","Organic letters","2011","13","18","4786","4789","10.1021/ol2017966","","","0.71073","MoKα","","0.058","0.041","","","0.0817","0.0874","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502413","7.1962","0.0002","9.5745","0.0003","21.0083","0.0006","90","","90","","90","","1447.47","0.07","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Ito, Yuji; Takahashi, Kazunori; Nagase, Hiromasa; Honda, Toshio","Integral stereocontrolled synthesis of a spiro-norlignan, sequosempervirin A: revision of absolute configuration.","Organic letters","2011","13","17","4640","4643","10.1021/ol2018533","","","1.54187","CuKα","","","0.049","","","","0.1155","","","","","","1.071","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502419","6.662","","10.282","","27.01","","90","","90","","90","","1850.15","","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Sau, Míriam; Rodríguez-Escrich, Carles; Pericàs, Miquel A","Copper-free intramolecular alkyne-azide cycloadditions leading to seven-membered heterocycles.","Organic letters","2011","13","19","5044","5047","10.1021/ol201869y","","","0.71073","MoKα","","0.0356","0.034","","","0.0929","0.0944","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502423","15.8758","0.0008","20.1039","0.001","21.5485","0.0011","90","","90","","90","","6877.5","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C66.5 H44 Cl3 F6 Fe2 N2 O17 S2 -","- C66.5 H44 Cl3 F6 Fe2 N2 O17 S2 -","- C266 H176 Cl12 F24 Fe8 N8 O68 S8 -","4","1","","Li, Yang; Cao, Rui; Lippard, Stephen J.","Design and synthesis of a novel triptycene-based ligand for modeling carboxylate-bridged diiron enzyme active sites.","Organic letters","2011","13","19","5052","5055","10.1021/ol201882v","","","0.71073","MoKα","","0.0878","0.082","","","0.2238","0.2311","","","","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502425","9.768","0.002","10.747","0.002","22.023","0.004","90","","90","","90","","2311.9","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Dong, Shunxi; Liu, Xiaohua; Zhang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric synthesis of 3,4-diaminochroman-2-ones promoted by guanidine and bisguanidium salt.","Organic letters","2011","13","19","5060","5063","10.1021/ol2018888","","","1.54178","CuKα","","0.0306","0.029","","","0.0654","0.0694","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502426","11.19","0.002","13.078","0.003","16.013","0.003","90","","90","","90","","2343.4","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Dong, Shunxi; Liu, Xiaohua; Zhang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric synthesis of 3,4-diaminochroman-2-ones promoted by guanidine and bisguanidium salt.","Organic letters","2011","13","19","5060","5063","10.1021/ol2018888","","","1.54178","CuKα","","0.0325","0.0296","","","0.0687","0.0794","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502434","8.857","0.0001","11.004","0.0001","19.2087","0.0002","90","","90","","90","","1872.13","0.03","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O7 -","- C18 H20 N2 O7 -","- C72 H80 N8 O28 -","4","1","","Shi, Feng; Luo, Shi-Wei; Tao, Zhong-Lin; He, Long; Yu, Jie; Tu, Shu-Jiang; Gong, Liu-Zhu","The catalytic asymmetric 1,3-dipolar cycloaddition of ynones with azomethine ylides.","Organic letters","2011","13","17","4680","4683","10.1021/ol201898x","","","1.54184","CuKα","","0.04","0.0395","","","0.1209","0.1222","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502441","8.3121","0.0006","8.8281","0.0005","27.683","0.002","90","","90","","90","","2031.4","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O12 -","- C17 H22 O12 -","- C68 H88 O48 -","4","1","","Bigovic, Miljan; Maslak, Veselin; Tokic-Vujosevic, Zorana; Divjakovic, Vladimir; Saicic, Radomir N.","A useful synthetic equivalent of a hydroxyacetone enolate.","Organic letters","2011","13","17","4720","4723","10.1021/ol2019357","","","0.71073","MoKα","","0.0637","0.0417","","","0.0886","0.0938","","","","","","0.942","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502449","6.6019","0.0001","7.9218","0.0001","18.1666","0.0004","90","","90","","90","","950.09","0.03","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 N2 O4 S2 -","- C6 H12 N2 O4 S2 -","- C24 H48 N8 O16 S8 -","4","1","","Woolven, Holly; González-Rodríguez, Carlos; Marco, Isabel; Thompson, Amber L.; Willis, Michael C.","DABCO-bis(sulfur dioxide), DABSO, as a convenient source of sulfur dioxide for organic synthesis: utility in sulfonamide and sulfamide preparation.","Organic letters","2011","13","18","4876","4878","10.1021/ol201957n","","","0.71073","MoKα","","0.0385","0.0364","","0.0983","0.0946","0.0983","","","","","","0.9777","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502453","5.6443","0.0001","8.8426","0.0002","33.8277","0.0006","90","","90","","90","","1688.35","0.06","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-(-)-1-(4-Bromobenzylidene)-2-isopropenyl-1,2- dihydronaphtho[2,1-b]furan [(S)-(-)-3k]","","- C22 H17 Br O -","- C22 H17 Br O -","- C88 H68 Br4 O4 -","4","1","","Okamoto, Ryuichi; Okazaki, Eri; Noguchi, Keiichi; Tanaka, Ken","Rhodium-catalyzed olefin isomerization/enantioselective intramolecular Alder-ene reaction cascade.","Organic letters","2011","13","18","4894","4897","10.1021/ol201986e","","","1.54187","CuKα","","0.0202","0.0198","","","0.0506","0.0509","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502455","9.896","0.002","11.39","0.002","12.46","0.003","90","","90","","90","","1404.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N3 O -","- C18 H13 N3 O -","- C72 H52 N12 O4 -","4","1","","Chen, Weiliang; Cai, Yunfei; Fu, Xuan; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Enantioselective one-pot synthesis of 2-amino-4-(indol-3-yl)-4H-chromenes.","Organic letters","2011","13","18","4910","4913","10.1021/ol2019949","","","1.54178","CuKα","","0.0458","0.0415","","","0.0842","0.0853","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502461","8.786","0.0002","10.5897","0.0002","29.0329","0.0005","90","","90","","90","","2701.25","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H31 N3 O6 -","- C31 H31 N3 O6 -","- C124 H124 N12 O24 -","4","1","","Yang, Zhicai; Jin, Xiaomin; Guaciaro, Michael; Molino, Bruce F.; Mocek, Ursula; Reategui, Ricardo; Rhea, Joshua; Morley, Tim","The revised structure, total synthesis, and absolute configuration of streptophenazine A.","Organic letters","2011","13","20","5436","5439","10.1021/ol202005u","","x-ray","1.54178","CuKα","","0.0334","0.0323","","","0.0855","0.0864","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502466","5.8404","0.0003","12.8879","0.0005","18.2216","0.0006","90","","90","","90","","1371.55","0.1","293","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O3 S -","- C12 H21 N O3 S -","- C48 H84 N4 O12 S4 -","4","1","","Ruan, Shu-Tang; Luo, Jie-Min; Du, Yu; Huang, Pei-Qiang","Asymmetric vinylogous Mannich reactions: a versatile approach to functionalized heterocycles.","Organic letters","2011","13","18","4938","4941","10.1021/ol2020384","","","0.71073","MoKα","","0.0635","0.0433","","","0.0672","0.0711","","","","","","0.925","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502470","23.426","0.002","18.992","0.002","6.205","0.0004","90","","90","","90","","2760.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,Z)-1-(4-bromophenyl)-4,4-dimethyl-3-[(5-oxofuran- 2(5H)-ylidene)]pentyl (1R,2S,5R)-2-isopropyl-5-methyl cyclohexyl carbonate","","- C28 H37 Br O5 -","- C28 H37 Br O5 -","- C112 H148 Br4 O20 -","4","1","","Curti, Claudio; Battistini, Lucia; Sartori, Andrea; Lodola, Alessio; Mor, Marco; Rassu, Gloria; Pelosi, Giorgio; Zanardi, Franca; Casiraghi, Giovanni","Catalytic, asymmetric hypervinylogous Mukaiyama aldol reactions of extended furan-based silyl enolates.","Organic letters","2011","13","17","4738","4741","10.1021/ol2020626","","","1.5418","CuKα","","0.0677","0.0483","","","0.1395","0.1558","","","","","","0.953","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502479","9.6259","0.0005","12.6135","0.0008","17.7779","0.0011","90","","90","","90","","2158.5","0.2","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 O4 -","- C28 H22 O4 -","- C112 H88 O16 -","4","1","","Biswas, Anup; De Sarkar, Suman; Fröhlich, Roland; Studer, Armido","Highly stereoselective synthesis of 1,2,3-trisubstituted indanes via oxidative N-heterocyclic carbene-catalyzed cascades.","Organic letters","2011","13","18","4966","4969","10.1021/ol202108a","","","1.54178","CuKα","","0.0919","0.0551","","","0.1235","0.1527","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502483","7.8299","0.0014","8.1023","0.0014","21.225","0.004","90","","90","","90","","1346.5","0.4","173","2","173","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 -","- C18 H20 -","- C72 H80 -","4","1","","García-García, Patricia; Martínez, Alberto; Sanjuán, Ana M; Fernández-Rodríguez, Manuel A; Sanz, Roberto","Gold(I)-catalyzed tandem cyclization-selective migration reaction of 1,3-dien-5-ynes: regioselective synthesis of highly substituted benzenes.","Organic letters","2011","13","18","4970","4973","10.1021/ol202129n","","","0.71073","MoKα","","0.0678","0.0583","","","0.1425","0.1543","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502491","8.974","0.009","14.304","0.014","24.8","0.02","90","","90","","90","","3183","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 N2 O10 -","- C32 H34 N2 O10 -","- C128 H136 N8 O40 -","4","1","","Sun, Deqian; Zhao, Qiwu; Li, Chaozhong","Total synthesis of (+)-decursivine.","Organic letters","2011","13","19","5302","5305","10.1021/ol2021669","","","0.71073","MoKα","","0.0694","0.0495","","","0.1036","0.1118","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502492","12.793","0.016","13.184","0.016","21.65","0.03","90","","90","","90","","3652","8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 N2 O9 S -","- C40 H40 N2 O9 S -","- C160 H160 N8 O36 S4 -","4","1","","Sun, Deqian; Zhao, Qiwu; Li, Chaozhong","Total synthesis of (+)-decursivine.","Organic letters","2011","13","19","5302","5305","10.1021/ol2021669","","","0.71073","MoKα","","0.2325","0.0664","","","0.0868","0.1368","","","","","","0.842","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502500","7.1319","0.0001","10.2706","0.0001","24.8328","0.0002","90","","90","","90","","1818.98","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N3 O7 -","- C19 H21 N3 O7 -","- C76 H84 N12 O28 -","4","1","","Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming","Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.","Organic letters","2011","13","22","5948","5951","10.1021/ol202245s","","","1.54178","CuKα","","0.0295","0.0282","","","0.0733","0.0747","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502502","7.2572","0.0009","10.3636","0.0012","25.073","0.003","90","","90","","90","","1885.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N3 O7 -","- C19 H21 N3 O7 -","- C76 H84 N12 O28 -","4","1","","Fu, Peng; Liu, Peipei; Li, Xia; Wang, Yi; Wang, Shuxia; Hong, Kui; Zhu, Weiming","Cyclic bipyridine glycosides from the marine-derived actinomycete Actinoalloteichus cyanogriseus WH1-2216-6.","Organic letters","2011","13","22","5948","5951","10.1021/ol202245s","","","0.71073","MoKα","","0.0641","0.038","","","0.0799","0.0938","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502503","10.1002","0.0002","13.2118","0.0003","16.2598","0.0003","90","","90","","90","","2169.74","0.08","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 O4 -","- C27 H26 O4 -","- C108 H104 O16 -","4","1","","Lv, Hui; Mo, Junming; Fang, Xinqiang; Chi, Yonggui Robin","Formal Diels-Alder reactions of chalcones and formylcyclopropanes catalyzed by chiral N-heterocyclic carbenes.","Organic letters","2011","13","19","5366","5369","10.1021/ol202250s","","","0.71073","MoKα","","0.0425","0.0361","","","0.0982","0.1077","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502508","10.3717","0.0002","16.0215","0.0003","24.5159","0.0004","90","","90","","90","","4073.81","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","- C176 H208 N16 O32 -","4","1","","Zhong, Cheng; Wang, Yikai; Hung, Alvin W.; Schreiber, Stuart L.; Young, Damian W.","Diastereoselective control of intramolecular aza-Michael reactions using achiral catalysts.","Organic letters","2011","13","20","5556","5559","10.1021/ol202276h","","","1.54178","CuKα","","0.027","0.0268","","","0.0678","0.068","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502514","10.1786","0.0002","10.4497","0.0002","19.1308","0.0004","90","","90","","90","","2034.82","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Br N2 O2 -","- C22 H23 Br N2 O2 -","- C88 H92 Br4 N8 O8 -","4","1","","Lee, Yunmi; Klausen, Rebekka S.; Jacobsen, Eric N.","Thiourea-catalyzed enantioselective iso-Pictet-Spengler reactions.","Organic letters","2011","13","20","5564","5567","10.1021/ol202300t","","","0.71073","MoKα","","0.0245","0.0222","","","0.0569","0.0579","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502515","10.5196","0.0003","11.1008","0.0003","16.8401","0.0004","90","","90","","90","","1966.52","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C80 H112 N8 O12 -","4","1","","Lee, Yunmi; Klausen, Rebekka S.; Jacobsen, Eric N.","Thiourea-catalyzed enantioselective iso-Pictet-Spengler reactions.","Organic letters","2011","13","20","5564","5567","10.1021/ol202300t","","","1.54178","CuKα","","0.093","0.0834","","","0.1637","0.1698","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502526","7.8787","0.0015","11.789","0.002","26.185","0.005","90","","90","","90","","2432.1","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Br N O5 -","- C25 H26 Br N O5 -","- C100 H104 Br4 N4 O20 -","4","1","","Teng, Huai-Long; Luo, Fei-Long; Tao, Hai-Yan; Wang, Chun-Jiang","A facile Cu(I)/BINAP-catalyzed asymmetric approach to functionalized pyroglutamate derivatives bearing a unique quaternary stereogenic center.","Organic letters","2011","13","20","5600","5603","10.1021/ol202326j","","","0.71073","MoKα","","0.1036","0.042","","","0.0908","0.1116","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502527","5.296","0.002","12.43","0.005","20.001","0.008","90","","90","","90","","1316.7","0.9","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-5-chloro-1-methyl-3-hydroxy-3-(1-methyl-1H-pyrrol-2-yl)-indolin-2-one","","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C56 H52 Cl4 N8 O8 -","4","1","","Gutierrez, Elisa G.; Wong, Casey J.; Sahin, Aziza H.; Franz, Annaliese K.","Enantioselective and regioselective indium(III)-catalyzed addition of pyrroles to isatins.","Organic letters","2011","13","21","5754","5757","10.1021/ol202329s","","","0.71073","MoKα","","0.0698","0.0505","","","0.1171","0.1356","","","","","","1.196","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502528","9.6671","0.0002","10.0197","0.0002","16.6629","0.0004","90","","90","","90","","1613.99","0.06","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C76 H60 N4 O20 -","4","1","","Hong, Bor-Cherng; Kotame, Prakash; Lee, Gene-Hsiang","Asymmetric synthesis of 3,4-dihydrocoumarin motif with an all-carbon quaternary stereocenter via a Michael-acetalization sequence with bifunctional amine-thiourea organocatalysts.","Organic letters","2011","13","21","5758","5761","10.1021/ol202331j","","","0.71073","MoKα","","0.0597","0.0356","","","0.0838","0.0919","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502533","8.631","0.0011","12.0157","0.0014","22.767","0.003","90","","90","","90","","2361.1","0.5","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Br N2 -","- C29 H25 Br N2 -","- C116 H100 Br4 N8 -","4","1","","Cheng, Dao-Juan; Wu, Hai-Bian; Tian, Shi-Kai","Catalytic asymmetric Pictet-Spengler-type reaction for the synthesis of optically active indolo[3,4-cd][1]benzazepines.","Organic letters","2011","13","20","5636","5639","10.1021/ol202361t","","","0.71073","MoKα","","0.0578","0.0444","","","0.1074","0.1152","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502537","9.01","0.005","12.674","0.005","15.667","0.005","90","0.005","90","0.005","90","0.005","1789.1","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N2 O2 S -","- C20 H23 N2 O2 S -","- C80 H92 N8 O8 S4 -","4","1","","Ghorai, Manas K.; Sahoo, Ashis K.; Kumar, Sarvesh","Synthetic route to chiral tetrahydroquinoxalines via ring-opening of activated aziridines.","Organic letters","2011","13","22","5972","5975","10.1021/ol2023906","","","0.71069","MoKα","","0.1186","0.0871","","","0.2279","0.298","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502538","5.7256","0.0018","16.786","0.005","17.572","0.006","90","","90","","90","","1688.8","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br O -","- C21 H17 Br O -","- C84 H68 Br4 O4 -","4","1","","Turner, Heather M.; Patel, Jignesh; Niljianskul, Nootaree; Chong, J. Michael","Binaphthol-catalyzed asymmetric conjugate arylboration of enones.","Organic letters","2011","13","21","5796","5799","10.1021/ol202391r","","","0.71073","MoKα","","0.0428","0.0328","","","0.0758","0.0803","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502545","8.0247","0.0005","9.3837","0.0006","21.6308","0.0013","90","","90","","90","","1628.83","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N3 O2 S -","- C15 H23 N3 O2 S -","- C60 H92 N12 O8 S4 -","4","1","","Zhou, Ling; Chen, Jie; Zhou, Jing; Yeung, Ying-Yeung","N-Bromosuccinimide promoted one-pot synthesis of guanidine: scope and mechanism.","Organic letters","2011","13","21","5804","5807","10.1021/ol202402y","","","0.71073","MoKα","","0.0352","0.0339","","","0.0879","0.0889","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502553","8.4312","0.0002","8.9716","0.0002","28.7625","0.001","90","","90","","90","","2175.63","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 S2 -","- C22 H24 O4 S2 -","- C88 H96 O16 S8 -","4","1","","Hong, Wan Pyo; Noshi, Mohammad N.; El-Awa, Ahmad; Fuchs, Philip L.","Synthesis of the C1-C20 and C15-C27 segments of aplyronine A.","Organic letters","2011","13","24","6342","6345","10.1021/ol2024746","","","0.71073","MO-Kα","","0.069","0.048","","","0.104","0.114","","","","","","1.054","","","","has coordinates","288193","2023-12-08","17:12:22",""
"1502577","7.0739","0.0009","13.657","0.0016","14.9355","0.0018","90","","90","","90","","1442.9","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Mondal, Sujit; Yadav, Ram Naresh; Ghosh, Subrata","Influence of diene substituent position on the stereochemical outcome in IMDA reaction of decatrienones. An asymmetric synthesis of C10-epi-dihydro-epi-deoxy arteannuin B.","Organic letters","2011","13","22","6078","6081","10.1021/ol202562w","","","0.71073","MoKα","","0.0336","0.0316","","","0.0738","0.0754","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502591","6.3501","0.0004","14.4176","0.0008","16.3945","0.001","90","","90","","90","","1500.97","0.16","223.1","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Calter, Michael A.; Korotkov, Alexander","Catalytic, asymmetric, interrupted Feist-Bénary reactions of α-tosyloxyacetophenones.","Organic letters","2011","13","23","6328","6330","10.1021/ol2026697","","","0.71075","MoKα","","","0.0462","","","","0.1081","","","","","","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502594","7.6443","0.0015","9.925","0.002","31.114","0.006","90","","90","","90","","2360.6","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N2 O4 S -","- C27 H24 N2 O4 S -","- C108 H96 N8 O16 S4 -","4","1","","Wang, Xiao-Na; Shen, Li-Tao; Ye, Song","NHC-catalyzed enantioselective [2 + 2] and [2 + 2 + 2] cycloadditions of ketenes with isothiocyanates.","Organic letters","2011","13","24","6382","6385","10.1021/ol202688h","","","0.71073","MoKα","","0.0508","0.0466","","","0.0883","0.0906","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502597","8.03","0.004","9.784","0.005","27.646","0.013","90","","90","","90","","2172","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C112 H92 N4 O12 -","4","1","","Zheng, Danqing; Li, Shaoyu; Luo, Yong; Wu, Jie","An efficient route to tetrahydroindeno[2,1-b]pyrroles via a base-promoted reaction of (E)-2-alkynylphenylchalcone with 2-isocyanoacetate.","Organic letters","2011","13","24","6402","6405","10.1021/ol202708f","","","0.71073","MoKα","","0.0969","0.0547","","","0.1099","0.1228","","","","","","0.918","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502618","9.6319","0.0002","10.4594","0.0003","16.7964","0.0005","90","","90","","90","","1692.13","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Fustero, Santos; Rodríguez, Elsa; Herrera, Lidia; Asensio, Amparo; Maestro, Miguel A.; Barrio, Pablo","Intramolecular Michael reaction of tert-butylsulfinyl ketimines: asymmetric synthesis of 3-substituted indanones.","Organic letters","2011","13","24","6564","6567","10.1021/ol2028948","","","0.71073","MoKα","","0.0378","0.0324","","","0.0982","0.1138","","","","","","0.683","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502620","6.3728","0.0001","12.4132","0.0001","15.5812","0.0002","90","","90","","90","","1232.58","0.03","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","RajanBabu 1717","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Lim, Hwan Jung; RajanBabu, T. V.","Ethylene in organic synthesis: a new route to anticholenergic pyrrolidinoindolines, and other molecules with all carbon-quaternary centers via asymmetric hydrovinylation.","Organic letters","2011","13","24","6596","6599","10.1021/ol203052y","","x-ray","0.71073","MoKα","","0.0442","0.0328","","","0.0724","0.0798","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502622","6.9608","0.0002","15.583","0.0007","31.3056","0.0013","90","","90","","90","","3395.7","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N O2.5 -","- C18 H25 Cl N O2.5 -","- C144 H200 Cl8 N8 O20 -","8","2","","Shevchenko, Anna; Belle, David Din; Tiittanen, Saara; Karjalainen, Arto; Tolvanen, Arto; Tanninen, Veli Pekka; Haarala, Jorma; Mäkelä, Mikko; Yliruusi, Jouko; Miroshnyk, Inna","Coupling Polymorphism/Solvatomorphism and Physical Stability Evaluation with Early Salt Synthesis Optimization of an Investigational Drug","Organic Process Research & Development","2011","15","3","666","","10.1021/op200026f","","","0.71073","MoKα","","0.1111","0.0685","","","0.1217","0.1352","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502625","8.00672","0.00011","15.303","0.0003","23.6473","0.0004","90","","90","","90","","2897.43","0.08","183","2","183","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23.6 H23 Br0.2 F2.4 N7 O8.6 Re -","- C23.6 H23 Br0.2 F2.4 N7 O8.6 Re -","- C94.4 H92 Br0.8 F9.6 N28 O34.4 Re4 -","4","1","","Struthers, Harriet; Viertl, David; Kosinski, Marek; Spingler, Bernhard; Buchegger, Franz; Schibli, Roger","Charge dependent substrate activity of C3' and N3 functionalized, organometallic technetium and rhenium-labeled thymidine derivatives toward human thymidine kinase 1.","Bioconjugate chemistry","2010","21","4","622","634","10.1021/bc900380n","","","0.7107","MoKα","","0.0522","0.036","","","0.0504","0.0523","","","","","","0.877","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1502658","11.1695","0.0008","11.2252","0.0008","20.0044","0.0014","90","","90","","90","","2508.1","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl3 N4 O2 -","- C27 H23 Cl3 N4 O2 -","- C108 H92 Cl12 N16 O8 -","4","1","","Yan, Lin; Huo, Pei; Debenham, John S.; Madsen-Duggan, Christina B; Lao, Julie; Chen, Richard Z.; Xiao, Jing Chen; Shen, Chun-Pyn; Stribling, D. Sloan; Shearman, Lauren P.; Strack, Alison M.; Tsou, Nancy; Ball, Richard G.; Wang, Junying; Tong, Xinchun; Bateman, Thomas J.; Reddy, Vijay B. G.; Fong, Tung M.; Hale, Jeffrey J.","Discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (MK-5596) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity.","Journal of medicinal chemistry","2010","53","10","4028","4037","10.1021/jm100023j","","","0.71073","MoKα","","","0.043","","","0.09","0.096","","","","","","1.174","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502672","7.2672","0.0002","11.8653","0.0003","33.6544","0.0009","90","","90","","90","","2901.94","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H52 O3 -","- C33 H52 O3 -","- C132 H208 O12 -","4","1","","Genet, Cédric; Strehle, Axelle; Schmidt, Céline; Boudjelal, Geoffrey; Lobstein, Annelise; Schoonjans, Kristina; Souchet, Michel; Auwerx, Johan; Saladin, Régis; Wagner, Alain","Structure-activity relationship study of betulinic acid, a novel and selective TGR5 agonist, and its synthetic derivatives: potential impact in diabetes.","Journal of medicinal chemistry","2010","53","1","178","190","10.1021/jm900872z","","","0.71073","MoKα","","0.0698","0.0469","","","0.1286","0.1463","","","","","","1.095","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502677","8.4016","0.0005","13.4207","0.0009","22.13","0.002","90","","90","","90","","2495.3","0.3","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 N2 O2 -","- C24 H42 N2 O2 -","- C96 H168 N8 O8 -","4","1","","Corvis, Yohann; Négrier, Philippe; Lazerges, Mathieu; Massip, Stéphane; Léger, Jean-Michel; Espeau, Philippe","Lidocaine/L-menthol binary system: cocrystallization versus solid-state immiscibility.","The journal of physical chemistry. B","2010","114","16","5420","5426","10.1021/jp101303j","","","1.5418","CuKα","","0.0705","0.0485","","","0.1151","0.1225","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502700","4.909","0.001","11.892","0.002","23.014","0.005","90","","90","","90","","1343.5","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dilithium and thallium(I) propanoate","Dilithium and thallium(I) tripropanoate","","- C9 H15 Li2 O6 Tl -","- C9 H15 Li2 O6 Tl -","- C36 H60 Li8 O24 Tl4 -","4","1","","Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A","Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase.","The journal of physical chemistry. B","2010","114","31","10075","10085","10.1021/jp1031702","","","0.9786","Synchrotron","","0.0558","0.052","","","0.128","0.1316","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502736","6.1987","0.0015","16.054","0.003","20.033","0.003","90","","90","","90","","1993.6","0.7","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J.","Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases.","The journal of physical chemistry. A","2010","114","47","12522","12530","10.1021/jp108104g","","","0.71073","MoKα","","0.119","0.0724","","","0.1514","0.1771","","","","","","1.073","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1502756","5.404","0.0001","16.068","0.0003","20.4562","0.0004","90","","90","","90","","1776.24","0.06","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 N4 O2 -","- C22 H14 N4 O2 -","- C88 H56 N16 O8 -","4","1","","Yang, Chih-Chiang; Hsu, Chia-Jung; Chou, Pi-Tai; Cheng, Hsu Chun; Su, Yuhlong Oliver; Leung, Man-kit","Excited state luminescence of multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes in an electron-donating matrix: exciplex or electroplex?","The journal of physical chemistry. B","2010","114","2","756","768","10.1021/jp9093063","","","0.71073","MoKα","","0.073","0.0518","","","0.1328","0.152","","","","","","1.119","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502773","13.032","0.004","14.817","0.005","17.543","0.006","90","","90","","90","","3387.5","1.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H53 Mg N3 O2 Si2 -","- C30 H53 Mg N3 O2 Si2 -","- C120 H212 Mg4 N12 O8 Si8 -","4","1","","Wang, Liying; Ma, Haiyan","Highly Active Magnesium Initiators for Ring-Opening Polymerization ofrac-Lactide","Macromolecules","2010","43","16","6535","","10.1021/ma101263g","","","0.71073","MoKα","","0.1103","0.0463","","","0.0633","0.0735","","","","","","0.744","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502777","28.29","0.03","29.3","0.03","8.01","0.008","90","","90","","90","","6639","12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C57 H116 O40 -","- C42 H49 O35 -","- C168 H196 O140 -","4","1","","Nishiyama, Yoshiharu; Mazeau, Karim; Morin, Morgane; Cardoso, Mateus B.; Chanzy, Henri; Putaux, Jean-Luc","Molecular and Crystal Structure of 7-Fold V-Amylose Complexed with 2-Propanol","Macromolecules","2010","43","20","8628","","10.1021/ma101794w","","","0.02508","","","0.3641","0.3419","","","0.5942","0.6098","","","","","","99.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502792","5.7411","0.0011","9.4947","0.0019","24.665","0.005","90","","90","","90","","1344.5","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O5 -","- C15 H14 O5 -","- C60 H56 O20 -","4","1","","Lin, Jie; Liu, Shuchun; Sun, Bingda; Niu, Shubin; Li, Erwei; Liu, Xingzhong; Che, Yongsheng","Polyketides from the ascomycete fungus Leptosphaeria sp.","Journal of natural products","2010","73","5","905","910","10.1021/np1000335","","","0.71073","MoKα","","0.0455","0.0441","","","0.1084","0.1094","","","","","","1.098","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502794","9.1827","0.0005","18.1165","0.0013","18.6612","0.0008","90","","90","","90","","3104.4","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O13 -","- C30 H48 O13 -","- C120 H192 O52 -","4","1","","Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, Yi-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Hwang, Tsong-Long; Shen, Ya-Ching","Nortriterpene lactones from the fruits of Schisandra arisanensis.","Journal of natural products","2010","73","7","1228","1233","10.1021/np100048h","","","1.54178","CuKα","","0.0904","0.0634","","","0.1578","0.1742","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502799","8.9941","0.0015","12.14","0.002","18.745","0.003","90","","90","","90","","2046.7","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Wei, Xiaomei; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G.","Dolabellane-type diterpenoids with antiprotozoan activity from a southwestern Caribbean gorgonian octocoral of the genus Eunicea.","Journal of natural products","2010","73","5","925","934","10.1021/np100074r","","","0.71073","MoKα","","0.1405","0.0656","","","0.13","0.146","","","","","","1.263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502804","7.3526","0.0001","12.4749","0.0003","13.9626","0.0003","90","","90","","90","","1280.69","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Chokpaiboon, Supichar; Sommit, Damrong; Teerawatananond, Thapong; Muangsin, Nongnuj; Bunyapaiboonsri, Taridaporn; Pudhom, Khanitha","Cytotoxic nor-chamigrane and chamigrane endoperoxides from a basidiomycetous fungus.","Journal of natural products","2010","73","5","1005","1007","10.1021/np100103j","","","0.71073","MoKα","","0.0533","0.0422","","","0.1158","0.1274","","","","","","1.059","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502806","7.2621","0.0012","8.0445","0.0013","28.318","0.005","90","","90","","90","","1654.3","0.5","153","2","153","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Zein, Ahmed L.; Dawe, Louise N.; Georghiou, Paris E.","Enantioselective total synthesis and X-ray structures of the tetrahydroprotoberberine alkaloids (-)-(S)-tetrahydropalmatrubine and (-)-(S)-corytenchine.","Journal of natural products","2010","73","8","1427","1430","10.1021/np1001169","","","0.71075","MoKα","","0.0326","0.0325","","","0.0843","0.0844","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502810","10.0323","0.0004","10.9812","0.0005","22.4456","0.001","90","","90","","90","","2472.76","0.19","293","2","293","2","","","1013.25","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 O10 -","- C27 H36 O10 -","- C108 H144 O40 -","4","1","","Sarigaputi, Chanin; Nuanyai, Thanesuan; Teerawatananond, Thapong; Pengpreecha, Somchai; Muangsin, Nongnuj; Pudhom, Khanitha","Xylorumphiins A-D, mexicanolide limonoids from the seed kernels of Xylocarpus rumphii.","Journal of natural products","2010","73","8","1456","1459","10.1021/np100423w","","","0.71073","MoKα","","0.069","0.0428","","","0.0854","0.0933","","","","","","0.888","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502811","9.547","0.004","12.328","0.005","13.064","0.005","90","","90","","90","","1537.6","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl O6 -","- C14 H19 Cl O6 -","- C56 H76 Cl4 O24 -","4","1","","Lin, Sheng; Shen, Yun-Heng; Zhang, Zhong-Xiao; Li, Hui-Liang; Shan, Lei; Liu, Run-Hui; Xu, Xi-Ke; Zhang, Wei-Dong","Revision of the Structures of 1,5-Dihydroxy-3,8-epoxyvalechlorine, Volvaltrate B, and Valeriotetrate C fromValeriana jatamansiandV. officinalis","Journal of Natural Products","2010","73","10","1723","","10.1021/np100426j","","","0.71073","MoKα","","0.0424","0.0376","","","0.0882","0.0905","","","","","","0.989","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502812","7.6054","0.0003","10.8888","0.0004","38.7397","0.0015","90","","90","","90","","3208.2","0.2","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 O3 -","- C18 H28 O3 -","- C144 H224 O24 -","8","2","","Hu, Wei-Min; Li, Min-Yi; Li, Jun; Xiao, Qiang; Feng, Gang; Wu, Jun","Dolabranes from the Chinese Mangrove,Ceriops tagal","Journal of Natural Products","2010","73","10","1701","","10.1021/np100484w","","","0.71073","MoKα","","0.0427","0.0385","","","0.0953","0.1018","","","","","","1.065","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502814","7.8037","0.0001","11.7086","0.0002","18.3534","0.0003","90","","90","","90","","1676.96","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Alstolucine B","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Tan, Shin-Jowl; Low, Yun-Yee; Choo, Yeun-Mun; Abdullah, Zanariah; Etoh, Tadahiro; Hayashi, Masahiko; Komiyama, Kanki; Kam, Toh-Seok","Strychnan and secoangustilobine A type alkaloids from Alstonia spatulata. Revision of the C-20 configuration of scholaricine.","Journal of natural products","2010","73","11","1891","1897","10.1021/np100552b","","","0.71073","MoKα","","0.0384","0.035","","","0.0917","0.0941","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502815","10.4901","0.0003","18.5736","0.0005","21.1075","0.0005","90","","90","","90","","4112.56","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Scholaricine","","","- C44 H58 N4 O11 -","- C44 H58 N4 O11 -","- C176 H232 N16 O44 -","4","1","","Tan, Shin-Jowl; Low, Yun-Yee; Choo, Yeun-Mun; Abdullah, Zanariah; Etoh, Tadahiro; Hayashi, Masahiko; Komiyama, Kanki; Kam, Toh-Seok","Strychnan and secoangustilobine A type alkaloids from Alstonia spatulata. Revision of the C-20 configuration of scholaricine.","Journal of natural products","2010","73","11","1891","1897","10.1021/np100552b","","","0.71073","MoKα","","0.0839","0.0592","","","0.1509","0.1641","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502825","7.4147","0.0008","10.7871","0.0013","27.001","0.003","90","","90","","90","","2159.6","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O6 -","- C22 H36 O6 -","- C88 H144 O24 -","4","1","","Wang, Rui; Chen, Wen-Hao; Shi, Yan-Ping","ent-kaurane and ent-pimarane diterpenoids from Siegesbeckia pubescens.","Journal of natural products","2010","73","1","17","21","10.1021/np9005579","","","0.71073","MoKα","","0.0519","0.0448","","","0.1189","0.1222","","","","","","1.252","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502827","6.9521","0.0009","14.5835","0.0019","17.382","0.002","90","","90","","90","","1762.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Feng, Tao; Cai, Xiang-Hai; Liu, Ya-Ping; Li, Yan; Wang, Yuan-Yuan; Luo, Xiao-Dong","Melodinines A-G, monoterpenoid indole alkaloids from Melodinus henryi.","Journal of natural products","2010","73","1","22","26","10.1021/np900595v","","","0.71073","MoKα","","0.067","0.0505","","","0.1378","0.1529","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502828","6.164","","10.0724","0.0001","22.85","0.0001","90","","90","","90","","1418.67","0.015","120","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Zhu, Qin; Tang, Chun-Ping; Ke, Chang-Qiang; Li, Xi-Qiang; Liu, Jin; Gan, Li-She; Weiss, Hans-Christoph; Gesing, Ernst-Rudolf; Ye, Yang","Constituents of Trigonostemon chinensis.","Journal of natural products","2010","73","1","40","44","10.1021/np9006074","","","1.5418","CuKα","","0.0287","0.0285","","","0.0757","0.0757","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502829","9.294","0.0014","11.4297","0.0018","15.266","0.002","90","","90","","90","","1621.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C80 H64 N8 O12 -","4","1","","Zhu, Qin; Tang, Chun-Ping; Ke, Chang-Qiang; Li, Xi-Qiang; Liu, Jin; Gan, Li-She; Weiss, Hans-Christoph; Gesing, Ernst-Rudolf; Ye, Yang","Constituents of Trigonostemon chinensis.","Journal of natural products","2010","73","1","40","44","10.1021/np9006074","","","0.71073","MoKα","","0.0798","0.0451","","","0.0653","0.0734","","","","","","0.876","","","","has coordinates","287926","2023-12-01","07:54:23",""
"1502833","9.31894","0.00017","11.1351","0.0002","22.591","0.0007","90","","90","","90","","2344.21","0.09","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O13 -","- C23 H28 O13 -","- C92 H112 O52 -","4","1","","Shimokawa, Yoko; Akao, Yusuke; Hirasawa, Yusuke; Awang, Khalijah; Hadi, A Hamid A; Sato, Seizo; Aoyama, Chihiro; Takeo, Jiro; Shiro, Motoo; Morita, Hiroshi","Gneyulins A and B, stilbene trimers, and noidesols A and B, dihydroflavonol-C-glucosides, from the bark of Gnetum gnemonoides.","Journal of natural products","2010","73","4","763","767","10.1021/np9007987","","","1.54187","CuKα","","","0.0471","","","","0.1","","","","","","0.902","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502834","6.7386","0.0003","9.6557","0.0005","27.6093","0.0013","90","","90","","90","","1796.42","0.15","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O8 -","- C19 H24 O8 -","- C76 H96 O32 -","4","1","","Xu, Liangxiong; He, Zhengxiang; Xue, Jinghua; Chen, Xiaoping; Wei, Xiaoyi","beta-Resorcylic acid lactones from a Paecilomyces fungus.","Journal of natural products","2010","73","5","885","889","10.1021/np900853n","","","0.71073","MoKα","","0.0387","0.0346","","","0.0946","0.0976","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502835","6.5866","0.0013","10.932","0.002","24.192","0.005","90","","90","","90","","1741.9","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Feng, Tao; Li, Yan; Liu, Ya-Ping; Cai, Xiang-Hai; Wang, Yuan-Yuan; Luo, Xiao-Dong","Melotenine A, a cytotoxic monoterpenoid indole alkaloid from Melodinus tenuicaudatus.","Organic letters","2010","12","5","968","971","10.1021/ol1000022","","","0.71073","MoKα","","0.1489","0.0549","","","0.1028","0.1376","","","","","","0.914","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502836","6.7271","0.0008","8.4431","0.001","33.243","0.004","90","","90","","90","","1888.1","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Cl O4 -","- C22 H19 Cl O4 -","- C88 H76 Cl4 O16 -","4","1","","Cui, Hai-Lei; Huang, Ji-Rong; Lei, Jie; Wang, Zhao-Feng; Chen, Shi; Wu, Li; Chen, Ying-Chun","Direct asymmetric allylic alkylation of butenolides with Morita-Baylis-Hillman carbonates.","Organic letters","2010","12","4","720","723","10.1021/ol100014m","","","0.71073","MoKα","","0.0332","0.0298","","","0.0681","0.0697","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502838","10.4314","0.0007","15.4544","0.0012","17.8219","0.0016","90","","90","","90","","2873.1","0.4","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 O10 -","- C29 H40 O10 -","- C116 H160 O40 -","4","1","","Cheng, Yuan-Bin; Liao, Tzu-Ching; Lo, I-Wen; Chen, Yu-Chen; Kuo, Yuh-Chi; Chen, Shun-Ying; Chien, Ching-Te; Shen, Ya-Ching","Arisandilactone A, a new triterpenoid from the fruits of Schisandra arisanensis.","Organic letters","2010","12","5","1016","1019","10.1021/ol100024r","","","1.54178","CuKα","","0.2458","0.0754","","","0.1662","0.2451","","","","","","0.744","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502839","7.6052","0.0004","13.5568","0.0007","16.9736","0.0009","90","","90","","90","","1750.02","0.16","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Schultz, Danielle M.; Wolfe, John P.","Synthesis of polycyclic nitrogen heterocycles via alkene aminopalladation/carbopalladation cascade reactions.","Organic letters","2010","12","5","1028","1031","10.1021/ol100033s","","","0.71073","MoKα","","0.0399","0.0346","","","0.0819","0.0852","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502842","5.86","0.0006","15.3822","0.0015","18.6383","0.0018","90","","90","","90","","1680.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br N2 O4 -","- C14 H19 Br N2 O4 -","- C56 H76 Br4 N8 O16 -","4","1","","Li, Qing; Ding, Chang-Hua; Hou, Xue-Long; Dai, Li-Xin","Diastereo- and enantioselective synthesis of alpha,gamma-diaminobutyric acid derivatives via Cu-catalyzed asymmetric Michael reaction.","Organic letters","2010","12","5","1080","1083","10.1021/ol100060t","","","0.71073","MoKα","","0.0907","0.0462","","","0.0898","0.1022","","","","","","0.922","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502843","7.6814","0.0001","12.1284","0.0001","27.7022","0.0003","90","","90","","90","","2580.82","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O6 -","- C28 H40 O6 -","- C112 H160 O24 -","4","1","","Wang, Cui-Fang; Liu, Jie-Qing; Yan, Yu-Xin; Chen, Jian-Chao; Lu, Yang; Guo, Yong-Hui; Qiu, Ming-Hua","Three new triterpenoids containing four-membered ring from the fruiting body of Ganoderma sinense.","Organic letters","2010","12","8","1656","1659","10.1021/ol100062b","","","1.54178","CuKα","","0.0432","0.0406","","","0.1111","0.1144","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502846","9.5125","0.0001","10.8526","0.0001","16.4229","0.0002","90","","90","","90","","1695.42","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C84 H60 N4 O16 -","4","1","","Mondal, Mukulesh; Ibrahim, Ahmad A.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Phosphine-catalyzed asymmetric synthesis of beta-lactones from arylketoketenes and aromatic aldehydes.","Organic letters","2010","12","8","1664","1667","10.1021/ol100075m","","","1.54178","CuKα","","0.0274","0.0266","","","0.0687","0.0694","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502851","8.7615","0.0011","9.7378","0.0012","26.004","0.003","90","","90","","90","","2218.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O7 S -","- C23 H25 N O7 S -","- C92 H100 N4 O28 S4 -","4","1","","Sriramurthy, Vardhineedi; Kwon, Ohyun","Diphosphine-catalyzed mixed double-Michael reaction: a unified synthesis of indolines, dihydropyrrolopyridines, benzimidazolines, tetrahydroquinolines, tetrahydroisoquinolines, dihydrobenzo-1,4-oxazines, and dihydrobenzo-3,1-oxazines.","Organic letters","2010","12","5","1084","1087","10.1021/ol100078w","","","0.71073","MoKα","","0.039","0.0334","","","0.0787","0.081","","","","","","1.241","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502853","7.649","0.003","11.673","0.004","24.726","0.004","90","","90","","90","","2207.7","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dimethyl 2-((3S)-2-acetyl-1-(ethoxycarbonyl)-3-(hydroxymethyl) -2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)malonate","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C88 H104 N8 O32 -","4","1","","Rannoux, Claire; Roussi, Fanny; Retailleau, Pascal; Guéritte, Françoise","Direct and selective functionalization of a tetrahydro-beta-carboline at position 4.","Organic letters","2010","12","6","1240","1243","10.1021/ol100094s","","","0.71069","MoKα","","0.0583","0.042","","","0.0988","0.1081","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502855","6.78085","0.00012","16.122","0.0003","18.0004","0.0003","90","","90","","90","","1967.82","0.06","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O5 S -","- C21 H26 N2 O5 S -","- C84 H104 N8 O20 S4 -","4","1","","Hashimoto, Takuya; Nakatsu, Hiroki; Watanabe, Shogo; Maruoka, Keiji","Stereoselective synthesis of trisubstituted aziridines with N-alpha-diazoacyl camphorsultam.","Organic letters","2010","12","8","1668","1671","10.1021/ol100104v","","","1.54187","CuKα","","","0.0301","","","","0.0761","","","","","","1.151","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502863","6.5394","0.0011","7.6922","0.0012","28.463","0.005","90","","90","","90","","1431.8","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O S Si -","- C13 H20 O S Si -","- C52 H80 O4 S4 Si4 -","4","1","","Smith, 3rd, Amos B; Tong, Rongbiao","Benzyl and phenylthiomethyl silanes: a new class of bifunctional linchpins for type II anion relay chemistry (ARC).","Organic letters","2010","12","6","1260","1263","10.1021/ol100130x","","","0.71073","MoKα","","0.0331","0.0309","","","0.0684","0.0698","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502864","6.5761","0.0011","7.7174","0.0014","29.566","0.006","90","","90","","90","","1500.5","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O S Si -","- C14 H22 O S Si -","- C56 H88 O4 S4 Si4 -","4","1","","Smith, 3rd, Amos B; Tong, Rongbiao","Benzyl and phenylthiomethyl silanes: a new class of bifunctional linchpins for type II anion relay chemistry (ARC).","Organic letters","2010","12","6","1260","1263","10.1021/ol100130x","","","0.71073","MoKα","","0.0362","0.0338","","","0.0773","0.0796","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502870","11.123","0.002","13.112","0.003","21.321","0.004","90","","90","","90","","3109.6","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 B2 F4 N2 O2 -","- C40 H28 B2 F4 N2 O2 -","- C160 H112 B8 F16 N8 O8 -","4","1","","Zhou, Ying; Kim, Ji Whan; Kim, Min Jung; Son, Won-Joon; Han, Su Jung; Kim, Ha Na; Han, Seungwu; Kim, Youngmee; Lee, Chongmok; Kim, Sung-Jin; Kim, Dong Ha; Kim, Jang-Joo; Yoon, Juyoung","Novel bi-nuclear boron complex with pyrene ligand: red-light emitting as well as electron transporting material in organic light-emitting diodes.","Organic letters","2010","12","6","1272","1275","10.1021/ol100160d","","","0.71073","MoKα","","0.1108","0.0352","","","0.0478","0.0525","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502871","10.7635","0.0012","10.9523","0.0012","25.753","0.003","90","","90","","90","","3035.9","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Br N2 O2 -","- C34 H31 Br N2 O2 -","- C136 H124 Br4 N8 O8 -","4","1","","Zheng, Bao-Hui; Ding, Chang-Hua; Hou, Xue-Long; Dai, Li-Xin","Ag-Catalyzed diastereo- and enantioselective synthesis of beta-substituted tryptophans from sulfonylindoles.","Organic letters","2010","12","8","1688","1691","10.1021/ol100161n","","","0.71073","MoKα","","0.1164","0.0437","","","0.0866","0.1074","","","","","","0.888","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502885","5.91964","0.00011","8.88008","0.00016","37.613","0.003","90","","90","","90","","1977.2","0.17","153.1","","153.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O2 -","- C23 H24 Br N O2 -","- C92 H96 Br4 N4 O8 -","4","1","","Kawato, Yuji; Takahashi, Noriko; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric conjugate addition of alpha-cyanoketones for the construction of a quaternary stereogenic center.","Organic letters","2010","12","7","1484","1487","10.1021/ol100183s","","","1.54187","CuKα","","","0.0251","","","","0.0617","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502886","7.55942","0.00017","11.8178","0.0003","33.4709","0.0008","90","","90","","90","","2990.15","0.12","93.1","","93.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C152 H136 N8 O16 -","8","2","","Kawato, Yuji; Takahashi, Noriko; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric conjugate addition of alpha-cyanoketones for the construction of a quaternary stereogenic center.","Organic letters","2010","12","7","1484","1487","10.1021/ol100183s","","","1.54187","CuKα","","","0.0553","","","","0.146","","","","","","1.057","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502898","11.1591","0.0001","15.2961","0.0001","18.7549","0.0002","90","","90","","90","","3201.29","0.05","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 O13 -","- C31 H42 O13 -","- C124 H168 O52 -","4","1","","Wang, Sujuan; Lin, Sheng; Zhu, Chenggen; Yang, Yongchun; Li, Shuai; Zhang, Jianjun; Chen, Xiaoguang; Shi, Jiangong","Highly acylated diterpenoids with a new 3,4-secograyanane skeleton from the flower buds of Rhododendron molle.","Organic letters","2010","12","7","1560","1563","10.1021/ol1002797","","","1.54178","CuKα","","0.0357","0.0353","","","0.097","0.0975","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1502909","10.478","0.003","10.566","0.003","28.685","0.008","90","","90","","90","","3175.7","1.6","123.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 Fe N3 P S -","- C36 H36 Fe N3 P S -","- C144 H144 Fe4 N12 P4 S4 -","4","1","","Oura, Ichiro; Shimizu, Kenta; Ogata, Kenichi; Fukuzawa, Shin-Ichi","Highly endo-selective and enantioselective 1,3-dipolar cycloaddition of azomethine ylide with alpha-enones catalyzed by a silver(I)/ThioClickFerrophos complex.","Organic letters","2010","12","8","1752","1755","10.1021/ol100336q","","","0.7107","MoKα","","","0.062","","","","0.1965","","","","","","1.08","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502910","8.817","0.002","9.476","0.002","21.33","0.005","90","","90","","90","","1782.1","0.7","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O3 -","- C20 H20 Cl N O3 -","- C80 H80 Cl4 N4 O12 -","4","1","","Oura, Ichiro; Shimizu, Kenta; Ogata, Kenichi; Fukuzawa, Shin-Ichi","Highly endo-selective and enantioselective 1,3-dipolar cycloaddition of azomethine ylide with alpha-enones catalyzed by a silver(I)/ThioClickFerrophos complex.","Organic letters","2010","12","8","1752","1755","10.1021/ol100336q","","","0.7107","MoKα","","","0.0442","","","","0.1057","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502913","7.0476","0.0002","11.747","0.0004","18.4424","0.0006","90","","90","","90","","1526.81","0.08","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-7-isopropyl-3-phenyl-2,3-dihydroimidazo[5,1-b]oxazolium iodide","","","- C15 H19 I N2 O -","- C15 H19 I N2 O -","- C60 H76 I4 N8 O4 -","4","1","","Yoshida, Kazuhiro; Horiuchi, Shingo; Takeichi, Tomoko; Shida, Hiroaki; Imamoto, Tsuneo; Yanagisawa, Akira","Bicyclic imidazoles for modular synthesis of chiral imidazolium salts.","Organic letters","2010","12","8","1764","1767","10.1021/ol1003737","","","0.71073","MoKα","","0.0164","0.0158","","","0.0343","0.0345","","","","","","1.372","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502914","9.2702","0.0007","15.574","0.0012","22.6712","0.0017","90","","90","","90","","3273.1","0.4","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(R,R)-2,6-Bis(5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazolium-2-yl)lutidine]chloronickel tetrafluoroborate","","","- C32 H31 B Cl3 F4 N5 Ni -","- C32 H31 B Cl3 F4 N5 Ni -","- C128 H124 B4 Cl12 F16 N20 Ni4 -","4","1","","Yoshida, Kazuhiro; Horiuchi, Shingo; Takeichi, Tomoko; Shida, Hiroaki; Imamoto, Tsuneo; Yanagisawa, Akira","Bicyclic imidazoles for modular synthesis of chiral imidazolium salts.","Organic letters","2010","12","8","1764","1767","10.1021/ol1003737","","","0.71073","MoKα","","0.0773","0.053","","","0.1322","0.1445","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502926","7.3472","0.0003","9.8722","0.0004","26.8795","0.001","90","","90","","90","","1949.65","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Talnetant","3-Hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Rohbogner, Christoph J.; Wirth, Stefan; Knochel, Paul","Phosphorodiamidate-directed metalation of N-heterocycles using Mg- and Zn-TMP bases.","Organic letters","2010","12","9","1984","1987","10.1021/ol100453x","","x-ray","0.71073","MoKα","","0.0413","0.0297","","","0.0597","0.0619","","","","","","0.932","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502937","6.792","0.0001","12.2189","0.0002","13.1263","0.0002","90","","90","","90","","1089.36","0.03","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Mukherjee, Santanu; Scopton, Alex P.; Corey, E. J.","Enantioselective pathway for the synthesis of laurenditerpenol.","Organic letters","2010","12","8","1836","1838","10.1021/ol1004802","","","0.71073","MoKα","","0.0329","0.0313","","","0.0873","0.0885","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502941","7.9647","0.0019","10.191","0.002","24.5","0.006","90","","90","","90","","1988.6","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O5 S -","- C19 H20 Br N O5 S -","- C76 H80 Br4 N4 O20 S4 -","4","1","","Samarakoon, Thiwanka B.; Hur, Moon Y.; Kurtz, Ryan D.; Hanson, Paul R.","A formal [4 + 4] complementary ambiphile pairing reaction: a new cyclization pathway for ortho-quinone methides.","Organic letters","2010","12","10","2182","2185","10.1021/ol100495w","","","0.71073","MoKα","","0.0964","0.058","","","0.0966","0.1071","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502944","9.573","0.0007","14.186","0.001","16.8432","0.0012","90","","90","","90","","2287.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 S2 -","- C22 H30 O4 S2 -","- C88 H120 O16 S8 -","4","1","","Chen, Qing-An; Dong, Xiang; Chen, Mu-Wang; Wang, Duo-Sheng; Zhou, Yong-Gui; Li, Yu-Xue","Highly effective and diastereoselective synthesis of axially chiral bis-sulfoxide ligands via oxidative aryl coupling.","Organic letters","2010","12","9","1928","1931","10.1021/ol100536e","","","0.71073","MoKα","","0.0469","0.0408","","","0.094","0.0965","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502994","9.6941","0.0003","14.7085","0.0004","21.8771","0.0006","90","","90","","90","","3119.36","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N O6 -","- C16 H16 Cl N O6 -","- C128 H128 Cl8 N8 O48 -","8","2","","Tan, Bin; Lu, Yunpeng; Zeng, Xiaofei; Chua, Pei Juan; Zhong, Guofu","Facile domino access to chiral bicyclo[3.2.1]octanes and discovery of a new catalytic activation mode.","Organic letters","2010","12","12","2682","2685","10.1021/ol1007795","","","0.71073","MoKα","","0.036","0.0286","","","0.0837","0.1025","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502995","9.3739","0.0001","10.249","0.0001","16.2713","0.0002","90","","90","","90","","1563.23","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Yao, Weijun; Pan, Lianjie; Wu, Yihua; Ma, Cheng","Asymmetric synthesis of spiro-3,4-dihydropyrans via a domino organocatalytic sequence.","Organic letters","2010","12","10","2422","2425","10.1021/ol1007873","","","1.54184","CuKα","","0.0292","0.0278","","","0.0715","0.0725","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503001","8.9418","0.0002","12.138","0.0002","29.4256","0.0007","90","","90","","90","","3193.72","0.12","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Br N2 O5 -","- C29 H25 Br N2 O5 -","- C116 H100 Br4 N8 O20 -","4","1","","Liao, Yu-Hua; Liu, Xiong-Li; Wu, Zhi-Jun; Cun, Lin-Feng; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly diastereo- and enantioselective Michael additions of 3-substituted oxindoles to maleimides catalyzed by chiral bifunctional thiourea-tertiary amine.","Organic letters","2010","12","13","2896","2899","10.1021/ol100822k","","","0.71073","MoKα","","0.0691","0.0383","","","0.096","0.099","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503009","6.3188","0.001","19.093","0.003","25.261","0.004","90","","90","","90","","3047.6","0.8","184","2","184","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O5 S2 -","- C31 H29 N O5 S2 -","- C124 H116 N4 O20 S8 -","4","1","","Jiang, Kun; Jia, Zhi-Jun; Yin, Xiang; Wu, Li; Chen, Ying-Chun","Asymmetric quadruple aminocatalytic domino reactions to fused carbocycles incorporating a spirooxindole motif.","Organic letters","2010","12","12","2766","2769","10.1021/ol100857s","","","0.71073","MoKα","","0.1704","0.0967","","","0.2466","0.292","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503012","6.454","0.005","14.297","0.012","16.313","0.015","90","","90","","90","","1505","2","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O3 S -","- C17 H16 O3 S -","- C68 H64 O12 S4 -","4","1","","Woods, Philip A.; Morrill, Louis C.; Lebl, Tomas; Slawin, Alexandra M. Z.; Bragg, Ryan A.; Smith, Andrew D.","Isothiourea-mediated stereoselective C-acylation of silyl ketene acetals.","Organic letters","2010","12","11","2660","2663","10.1021/ol1008747","","","0.71073","MoKα","","0.1621","0.1384","","","0.2697","0.2918","","","","","","1.18","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503018","9.1592","0.0003","11.2121","0.0003","17.3903","0.0004","90","","90","","90","","1785.88","0.09","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br N3 O4 -","- C18 H16 Br N3 O4 -","- C72 H64 Br4 N12 O16 -","4","1","","Chen, Wen-Bing; Wu, Zhi-Jun; Pei, Qing-Lan; Cun, Lin-Feng; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly enantioselective construction of spiro[4H-pyran-3,3'-oxindoles] through a domino Knoevenagel/Michael/cyclization sequence catalyzed by cupreine.","Organic letters","2010","12","14","3132","3135","10.1021/ol1009224","","","0.71073","MoKα","","0.0534","0.0283","","","0.0497","0.0513","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503020","7.3374","0.0001","7.4795","0.0001","25.3435","0.0005","90","","90","","90","","1390.85","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1'R,2'S,3a'R,4'S,7a'S)-1'-hydroxy-3a',4'-dimethyl-4-methylenedecahydro-2H-spiro[furan-3,2'-inden]-2-one","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Phillips, Eric M.; Roberts, John M.; Scheidt, Karl A.","Catalytic enantioselective total syntheses of bakkenolides I, J, and S: application of a carbene-catalyzed desymmetrization.","Organic letters","2010","12","12","2830","2833","10.1021/ol100938j","","","0.71073","MoKα","","0.0412","0.0361","","","0.0946","0.0975","","","","","","1.068","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503021","10.8049","0.0002","17.5738","0.0003","21.5909","0.0004","90","","90","","90","","4099.75","0.13","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 Cl N2 O12 S2 -","- C41 H39 Cl N2 O12 S2 -","- C164 H156 Cl4 N8 O48 S8 -","4","1","","Mascitti, Vincent; Préville, Cathy","Stereoselective synthesis of a dioxa-bicyclo[3.2.1]octane SGLT2 inhibitor.","Organic letters","2010","12","13","2940","2943","10.1021/ol100940w","","","1.54178","CuKα","","0.0341","0.0314","","","0.0859","0.0887","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503024","6.8545","0.0019","15.086","0.004","25.353","0.007","90","","90","","90","","2621.7","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H46 O4 Si2 -","- C21 H46 O4 Si2 -","- C84 H184 O16 Si8 -","4","1","","Paudyal, Mahesh P.; Rath, Nigam P.; Spilling, Christopher D.","A formal synthesis of the C1-C9 fragment of amphidinolide C employing the Tamaru reaction.","Organic letters","2010","12","13","2954","2957","10.1021/ol100959a","","","0.71073","MoKα","","0.1681","0.0772","","","0.1759","0.2151","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503067","9.682","0.0003","9.9137","0.0004","19.0085","0.0007","90","","90","","90","","1824.52","0.11","153.1","","153.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","","Xu, Yingjie; Matsunaga, Shigeki; Shibasaki, Masakatsu","syn-Selective catalytic asymmetric 1,4-addition of alpha-ketoanilides to nitroalkenes under dinuclear nickel catalysis.","Organic letters","2010","12","14","3246","3249","10.1021/ol101185p","","","1.54187","CuKα","","","0.0311","","","","0.08","","","","","","1.109","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503070","10.8594","0.0005","21.0813","0.0008","23.1923","0.001","90","","90","","90","","5309.4","0.4","296.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H52 Cl2 N2 O2 P2 Ru -","- C53 H52 Cl2 N2 O2 P2 Ru -","- C212 H208 Cl8 N8 O8 P8 Ru4 -","4","1","","Arai, Noriyoshi; Akashi, Masaya; Sugizaki, Satoshi; Ooka, Hirohito; Inoue, Tsutomu; Ohkuma, Takeshi","Asymmetric hydrogenation of bicyclic ketones catalyzed by BINAP/IPHAN-Ru(II) complex.","Organic letters","2010","12","15","3380","3383","10.1021/ol101200z","","","0.71075","MoKα","","","0.0492","","","","0.1513","","","","","","0.961","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503077","7.387","0.001","11.854","0.001","15.835","0.002","90","","90","","90","","1386.6","0.3","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","guaianolide","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Navickas, Vaidotas; Ushakov, Dmitry B.; Maier, Martin E.; Ströbele, Markus; Meyer, H-Jürgen","Synthesis of the guaianolide ring system via cycloaddition of a bicyclic carbonyl ylide with allyl propiolate.","Organic letters","2010","12","15","3418","3421","10.1021/ol1012185","","","0.71073","MoKα","","0.0526","0.0405","","","0.0801","0.0833","","","","","","0.937","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503079","6.4749","0.0002","8.5245","0.0002","23.9058","0.0006","90","","90","","90","","1319.49","0.06","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O -","- C16 H22 O -","- C64 H88 O4 -","4","1","","Butler, Jeffrey D.; Conrad, Wayne E.; Lodewyk, Michael W.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Synthesis of substituted chromanones: an organocatalytic aldol/oxa-Michael reaction.","Organic letters","2010","12","15","3410","3413","10.1021/ol101221c","","","1.54178","CuKα","","0.0336","0.0335","","","0.09","0.09","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503083","8.3995","0.0011","12.2643","0.0016","17.383","0.002","90","","90","","90","","1790.7","0.4","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Ignatenko, Vasily A.; Deligonul, Nihal; Viswanathan, Rajesh","Branch-selective synthesis of oxindole and indene scaffolds: transition metal-controlled intramolecular aryl amidation leading to c3 reverse-prenylated oxindoles.","Organic letters","2010","12","16","3594","3597","10.1021/ol1012372","","","0.71073","MoKα","","0.0493","0.0385","","","0.0831","0.0867","","","","","","1.343","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503102","10.613","0.003","10.756","0.003","33.591","0.008","90","","90","","90","","3834.5","1.8","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H55 Cl2 N O10 -","- C36 H51 Cl2 N O10 -","- C144 H204 Cl8 N4 O40 -","4","1","","Igarashi, Yasuhiro; Kim, Youngju; In, Yasuko; Ishida, Toshimasa; Kan, Yukiko; Fujita, Tsuyoshi; Iwashita, Takashi; Tabata, Hirokazu; Onaka, Hiroyasu; Furumai, Tamotsu","Alchivemycin A, a bioactive polycyclic polyketide with an unprecedented skeleton from Streptomyces sp.","Organic letters","2010","12","15","3402","3405","10.1021/ol1012982","","","0.71073","MoKα","","0.1058","0.087","","","0.2069","0.2197","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503116","8.274","0.0009","10.2749","0.0011","23.741","0.003","90","","90","","90","","2018.3","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","10026a","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Li, Hongyan; Hsung, Richard P.; DeKorver, Kyle A.; Wei, Yonggang","Copper-catalyzed Ficini [2 + 2] cycloaddition of ynamides.","Organic letters","2010","12","17","3780","3783","10.1021/ol101418d","","","0.71073","MoKα","","0.0504","0.0371","","","0.0838","0.0911","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503117","5.7619","0.0001","19.3032","0.0002","29.1369","0.0005","90","","90","","90","","3240.7","0.09","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 Cl3 N2 O6 S -","- C33 H33 Cl3 N2 O6 S -","- C132 H132 Cl12 N8 O24 S4 -","4","1","","Li, Meiling; Dixon, Darren J.","Stereoselective spirolactam synthesis via palladium catalyzed arylative allene carbocyclization cascades.","Organic letters","2010","12","17","3784","3787","10.1021/ol101425y","","","0.71073","MoKα","","0.088","0.0517","","0.133","0.1024","0.133","","","","","","0.9472","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503121","12.247","0.002","15.641","0.003","77.051","0.015","90","","90","","90","","14760","5","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-{L-Leu-L-Leu-[(1S,3S)-Ac5c(OM)]}3-OMe","","- C63 H115 N9 O17 -","- C63 H115 N9 O17 -","- C504 H920 N72 O136 -","8","2","","Nagano, Masanobu; Doi, Mitsunobu; Kurihara, Masaaki; Suemune, Hiroshi; Tanaka, Masakazu","Stabilized alpha-helix-catalyzed enantioselective epoxidation of alpha,beta-unsaturated ketones.","Organic letters","2010","12","15","3564","3566","10.1021/ol101435w","","","0.71073","MoKα","","0.0948","0.083","","","0.219","0.2274","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503147","10.7868","0.0007","11.377","0.0007","12.9981","0.0008","90","","90","","90","","1595.15","0.17","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F4 N2 O2 -","- C16 H17 F4 N2 O2 -","- C64 H68 F16 N8 O8 -","4","1","","Zeika, Olaf; Li, Yongjun; Jockusch, Steffen; Parkin, Gerard; Sattler, Aaron; Sattler, Wesley; Turro, Nicholas J.","Synthesis of polynitroxides based on nucleophilic aromatic substitution.","Organic letters","2010","12","16","3696","3699","10.1021/ol101529u","","","0.71073","MoKα","","0.0419","0.0337","","","0.0871","0.0923","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503150","6.8149","0.001","14.637","0.002","14.679","0.002","90","","90","","90","","1464.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O2 -","- C17 H15 Br O2 -","- C68 H60 Br4 O8 -","4","1","","Shao, Cheng; Yu, Hong-Jie; Wu, Nuo-Yi; Feng, Chen-Guo; Lin, Guo-Qiang","C1-symmetric dicyclopentadienes as new chiral diene ligands for asymmetric rhodium-catalyzed arylation of N-tosylarylimines.","Organic letters","2010","12","17","3820","3823","10.1021/ol101531r","","","0.71073","MoKα","","0.0725","0.037","","","0.0739","0.0812","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503155","11.937","0.004","14.935","0.004","19.399","0.007","90","","90","","90","","3458.4","1.9","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H37 N4 Ni O4 -","- C42 H37 N4 Ni O4 -","- C168 H148 N16 Ni4 O16 -","4","1","","Dong, Zhenzhen; Plampin, 3rd, James N; Yap, Glenn P. A.; Fox, Joseph M.","Minimalist end groups for control of absolute helicity in salen- and salophen-based metallofoldamers.","Organic letters","2010","12","18","4002","4005","10.1021/ol101583v","","","0.71073","MoKα","","0.0458","0.0403","","","0.0985","0.1032","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503163","12.8063","0.0005","13.3599","0.0005","48.7876","0.0019","90","","90","","90","","8347.1","0.6","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 N2 O7.5 -","- C46 H45 N2 O7.5 -","- C368 H360 N16 O60 -","8","2","","Wiedner, Susan D.; Vedejs, Edwin","Aziridinomitosanes via lactam cyclization.","Organic letters","2010","12","18","4030","4033","10.1021/ol101595u","","","0.71073","MoKα","","0.0667","0.062","","","0.1791","0.1833","","","","","","1.146","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503167","9.1204","0.0004","11.6853","0.0004","14.1079","0.0006","90","","90","","90","","1503.54","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","","Zhao, Fu-Wei; Sun, Qian-Yun; Yang, Fu-Mei; Hu, Guang-Wan; Luo, Ji-Feng; Tang, Gui-Hua; Wang, Yue-Hu; Long, Chun-Lin","Palhinine A, a novel alkaloid from Palhinhaea cernua.","Organic letters","2010","12","17","3922","3925","10.1021/ol101602n","","","1.54178","CuKα","","0.0327","0.0318","","","0.0906","0.0918","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503172","10.26","0.001","8.486","0.001","30.754","0.003","90","","90","","90","","2677.6","0.5","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Br N O3 P S -","- C31 H27 Br N O3 P S -","- C124 H108 Br4 N4 O12 P4 S4 -","4","1","","Xie, Peizhong; Huang, You; Chen, Ruyu","Phosphine-catalyzed domino reaction: highly stereoselective synthesis of trans-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allylic carbonates.","Organic letters","2010","12","17","3768","3771","10.1021/ol101611v","","","0.71075","MoKα","","0.0637","0.0538","","","0.094","0.101","","","","","","0.842","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503182","10.6109","0.0009","11.3274","0.001","22.798","0.002","90","","90","","90","","2740.2","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 N3 O5 S -","- C29 H25 N3 O5 S -","- C116 H100 N12 O20 S4 -","4","1","","Peng, Jing; Huang, Xin; Cui, Hai-Lei; Chen, Ying-Chun","Organocatalytic and electrophilic approach to oxindoles with C3-quaternary stereocenters.","Organic letters","2010","12","19","4260","4263","10.1021/ol101668z","","","0.71073","MoKα","","0.0674","0.0415","","","0.0914","0.1021","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503184","4.5421","0.0009","10.033","0.002","37.818","0.008","90","","90","","90","","1723.4","0.6","155","2","155","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C84 H84 N4 O8 S4 -","4","1","","Sabala, Rocío; Hernández-García, Luis; Ortiz, Aurelio; Romero, Moisés; Olivo, Horacio F.","Diastereoselective conjugate addition of organocuprates to chiral N-enoyl oxazolidinethiones.","Organic letters","2010","12","19","4268","4270","10.1021/ol101687e","","","0.71073","MoKα","","0.1316","0.0568","","","0.0871","0.1083","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503205","6.6549","0.0005","13.8696","0.0011","21.4953","0.0018","90","","90","","90","","1984","0.3","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Br2 N O4 -","- C20 H25 Br2 N O4 -","- C80 H100 Br8 N4 O16 -","4","1","","Chen, Peiling; Carroll, Patrick J.; Sieburth, Scott McN","Tetraquinanes via [4 + 4] photocycloaddition/transannular ring closure.","Organic letters","2010","12","20","4510","4512","10.1021/ol101802s","","","0.71069","MoKα","","0.0462","0.0392","","","0.0843","0.0907","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503206","7.4039","0.0005","13.4534","0.001","17.6386","0.0013","90","","90","","90","","1756.9","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Chen, Peiling; Carroll, Patrick J.; Sieburth, Scott McN","Tetraquinanes via [4 + 4] photocycloaddition/transannular ring closure.","Organic letters","2010","12","20","4510","4512","10.1021/ol101802s","","","0.71069","MoKα","","0.0401","0.037","","","0.085","0.0886","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503207","8.573","0.0004","9.9838","0.0004","16.5361","0.0007","90","","90","","90","","1415.34","0.11","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Br2 Cl3 N O2 -","- C10 H10 Br2 Cl3 N O2 -","- C40 H40 Br8 Cl12 N4 O8 -","4","1","","Bae, Ju-Yeon; Lee, Hyo-Jun; Youn, Seok-Ho; Kwon, Su-Hyun; Cho, Chang-Woo","Organocatalytic asymmetric synthesis of chiral pyrrolizines by cascade conjugate addition-aldol reactions.","Organic letters","2010","12","19","4352","4355","10.1021/ol101811c","","","0.71073","MoKα","","0.0716","0.0384","","","0.0586","0.0857","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503235","5.616","0.005","11.22","0.003","27.785","0.009","90","","90","","90","","1750.8","1.7","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl N O3 -","- C18 H26 Cl N O3 -","- C72 H104 Cl4 N4 O12 -","4","1","","Thamapipol, Sirinporn; Bernardinelli, Gérald; Besnard, Céline; Kündig, E Peter","Chiral ruthenium Lewis acid catalyzed intramolecular Diels-Alder reactions.","Organic letters","2010","12","24","5604","5607","10.1021/ol1019103","","","0.71073","MoKα","","0.0351","0.0302","","0.0789","0.0768","0.0789","","","","","","0.9952","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503236","8.2656","0.0011","8.4095","0.0011","32.003","0.004","90","","90","","90","","2224.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Br N2 O3 -","- C25 H23 Br N2 O3 -","- C100 H92 Br4 N8 O12 -","4","1","","Fang, Huihui; Wu, Xiaoyu; Nie, Linlin; Dai, Xiaoyang; Chen, Jie; Cao, Weiguo; Zhao, Gang","Diastereoselective syntheses of indoloquinolizidines by a Pictet-Spengler/lactamization cascade.","Organic letters","2010","12","23","5366","5369","10.1021/ol101922h","","","0.71073","MoKα","","0.0721","0.0457","","","0.0954","0.1013","","","","","","0.87","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503247","12.076","0.0008","15.9699","0.001","28.376","0.0015","90","","90","","90","","5472.4","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H71 Co N7 O14 -","- C54 H69 Co N7 O14 -","- C216 H276 Co4 N28 O56 -","4","1","","ó Proinsias, Keith; Sessler, Jonathan L.; Kurcoń, Sylwester; Gryko, Dorota","New hydrophobic vitamin B12 derivatives via ring-opening reactions of c-lactone.","Organic letters","2010","12","20","4674","4677","10.1021/ol102008n","","","1.54178","CuKα","","0.1054","0.06","","","0.1351","0.1613","","","","","","0.978","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503262","8.713","0.0002","16.661","0.0004","19.286","0.0005","90","","90","","90","","2799.7","0.12","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl2 N O P Pd -","- C27.03 H36.07 Cl2 N O P Pd -","- C108.12 H144.28 Cl8 N4 O4 P4 Pd4 -","4","1","","Dugal-Tessier, Julien; Dake, Gregory R.; Gates, Derek P.","Chiral phosphaalkene-oxazoline ligands for the palladium-catalyzed asymmetric allylic alkylation.","Organic letters","2010","12","20","4667","4669","10.1021/ol1020652","","","0.71069","MoKα","","0.0291","0.0264","","","0.0596","0.0606","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503264","9.212","0.004","10.137","0.004","25.14","0.011","90","","90","","90","","2347.6","1.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 N2 O5 -","- C26 H34 N2 O5 -","- C104 H136 N8 O20 -","4","1","","Nilson, Mark G.; Funk, Raymond L.","Total synthesis of (-)-nakadomarin A.","Organic letters","2010","12","21","4912","4915","10.1021/ol102079z","","","0.71073","MoKα","","0.1394","0.0936","","","0.131","0.2033","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503266","7.8779","0.0009","11.7191","0.0014","20.476","0.002","90","","90","","90","","1890.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl O6 -","- C20 H17 Cl O6 -","- C80 H68 Cl4 O24 -","4","1","","Liu, Chunliang; Zhang, Xinshuai; Wang, Rui; Wang, Wei","""One-pot"" access to 4H-chromenes with formation of a chiral quaternary stereogenic center by a highly enantioselective iminium-allenamine involved oxa-Michael-aldol cascade.","Organic letters","2010","12","21","4948","4951","10.1021/ol102096s","","","0.71073","MoKα","","0.0462","0.0356","","","0.08","0.0852","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503274","11.1759","0.0002","13.5506","0.0002","15.9913","0.0002","90","","90","","90","","2421.72","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Psiguadials A","","","- C30 H34 O5 -","- C30 H34 O5 -","- C120 H136 O20 -","4","1","","Shao, Meng; Wang, Ying; Liu, Zhong; Zhang, Dong-Mei; Cao, Hui-Hui; Jiang, Ren-Wang; Fan, Chun-Lin; Zhang, Xiao-Qi; Chen, He-Ru; Yao, Xin-Sheng; Ye, Wen-Cai","Psiguadials A and B, two novel meroterpenoids with unusual skeletons from the leaves of Psidium guajava.","Organic letters","2010","12","21","5040","5043","10.1021/ol102179u","","","1.54178","CuKα","","0.0427","0.0405","","","0.1124","0.1136","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503276","6.2378","0.0002","10.0382","0.0003","26.6925","0.001","90","","90","","90","","1671.39","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O5 -","- C16 H18 Br N O5 -","- C64 H72 Br4 N4 O20 -","4","1","","Shi, Zugui; Tan, Bin; Leong, Wendy Wen Yi; Zeng, Xiaofei; Lu, Min; Zhong, Guofu","Catalytic asymmetric formal [4 + 1] annulation leading to optically active cis-isoxazoline N-oxides.","Organic letters","2010","12","23","5402","5405","10.1021/ol102181r","","","0.71073","MoKα","","0.0582","0.0396","","","0.0853","0.1048","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503296","8.1021","0.0002","9.1077","0.0002","22.0686","0.0005","90","","90","","90","","1628.48","0.07","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Garnsey, Michelle R.; Lim, Daniel; Yost, Julianne M.; Coltart, Don M.","Development of a strategy for the asymmetric synthesis of polycyclic polyprenylated acylphloroglucinols via N-amino cyclic carbamate hydrazones: application to the total synthesis of (+)-clusianone.","Organic letters","2010","12","22","5234","5237","10.1021/ol1022728","","","0.71073","MoKα","","0.0433","0.0395","","","0.0979","0.1004","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503303","6.1289","0.0007","14.4426","0.0017","21.1","0.003","90","","90","","90","","1867.7","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O3 -","- C19 H26 N2 O3 -","- C76 H104 N8 O12 -","4","1","","Krow, Grant R.; Liu, Nian; Sender, Matthew; Lin, Guoliang; Centafont, Ryan; Sonnet, Philip E.; DeBrosse, Charles; Ross, 3rd, Charles W; Carroll, Patrick J.; Shoulders, Matthew D.; Raines, Ronald T.","Oligomers of a 5-carboxy-methanopyrrolidine β-amino acid. A search for order.","Organic letters","2010","12","23","5438","5441","10.1021/ol1022917","","","0.71069","MoKα","","0.0544","0.0342","","","0.0618","0.0678","","","","","","0.828","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503305","15.3881","0.0012","16.3157","0.0009","20.469","0.0011","90","","90","","90","","5139.1","0.6","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H64 B2 N2 Si -","- C60 H64 B2 N2 Si -","- C240 H256 B8 N8 Si4 -","4","1","","Murphy, Stephen K.; Baik, Chul; Lu, Jia-Sheng; Wang, Suning","Single boryl isomerization in silyl-bridged photochromic diboryl dyes.","Organic letters","2010","12","22","5266","5269","10.1021/ol102319t","","","0.71073","MoKα","","0.1597","0.0744","","","0.1529","0.1983","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503306","10.2709","0.0003","10.5742","0.0003","19.7677","0.0006","90","","90","","90","","2146.9","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 F5 N O3 S -","- C20 H26 F5 N O3 S -","- C80 H104 F20 N4 O12 S4 -","4","1","","Fustero, Santos; Moscardó, Javier; Sánchez-Roselló, María; Rodríguez, Elsa; Barrio, Pablo","Tandem nucleophilic addition-intramolecular aza-Michael reaction: facile synthesis of chiral fluorinated isoindolines.","Organic letters","2010","12","23","5494","5497","10.1021/ol102341n","","","1.54178","CuKα","","0.0254","0.0248","","","0.0636","0.064","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503314","5.5207","0.0004","10.1453","0.0008","38.011","0.003","90","","90","","90","","2129","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O8 -","- C20 H28 O7.99 -","- C80 H112 O31.96 -","4","1","","Afarinkia, Kamyar; Haji Abdullahi, Mohamed; Scowen, Ian J.","A synthesis of carbasugar-sugar pseudodisaccharides via a cycloaddition-cycloreversion reaction of 2H-pyran-2-ones.","Organic letters","2010","12","23","5564","5566","10.1021/ol102358s","","","0.71073","MoKα","","0.1279","0.0496","","","0.1109","0.1324","","","","","","0.935","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503320","7.3388","0.0008","15.918","0.0018","29.55","0.003","90","","90","","90","","3452","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br2 N O -","- C20 H17 Br2 N O -","- C160 H136 Br16 N8 O8 -","8","2","","Li, Le; Seidel, Daniel","Catalytic enantioselective Friedländer condensations: facile access to quinolines with remote stereogenic centers.","Organic letters","2010","12","21","5064","5067","10.1021/ol1023932","","","0.71073","MoKα","","0.0475","0.0338","","","0.0743","0.0791","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503323","11.9314","0.0004","14.6278","0.0005","17.7556","0.0007","90","","90","","90","","3098.89","0.19","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H31 Fe N2 P S -","- C37 H31 Fe N2 P S -","- C148 H124 Fe4 N8 P4 S4 -","4","1","","Zhang, Cheng; Yu, Sai-Bo; Hu, Xiang-Ping; Wang, Dao-Yong; Zheng, Zhuo","New chiral ferrocenyl P,S-ligands for highly diastereo-/enantioselective catalytic [3 + 2] cycloaddition of azomethine ylides with cyclic and acyclic enones.","Organic letters","2010","12","23","5542","5545","10.1021/ol1024647","","","0.71073","MoKα","","0.0466","0.036","","","0.0753","0.0796","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503326","11.846","0.0008","13.2656","0.0009","15.6468","0.0011","90","","90","","90","","2458.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl4 Pd -","- C25 H28 Cl4 Pd -","- C100 H112 Cl16 Pd4 -","4","1","","Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang","Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.","Organic letters","2010","12","23","5546","5549","10.1021/ol102521q","","","0.71073","MoKα","","0.0335","0.0321","","","0.075","0.0757","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503327","9.9003","0.0007","10.2094","0.0007","35.051","0.003","90","","90","","90","","3542.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H38 Cl4 Rh2 -","- C41 H36 Cl4 Rh2 -","- C164 H144 Cl16 Rh8 -","4","1","","Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang","Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.","Organic letters","2010","12","23","5546","5549","10.1021/ol102521q","","","0.71073","MoKα","","0.0497","0.0396","","","0.0888","0.0928","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503328","5.318","0.0006","13.1826","0.0014","20.997","0.002","90","","90","","90","","1472","0.3","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","1","","Zhang, Shu-Sheng; Wang, Zhi-Qian; Xu, Ming-Hua; Lin, Guo-Qiang","Chiral diene as the ligand for the synthesis of axially chiral compounds via palladium-catalyzed Suzuki-Miyaura coupling reaction.","Organic letters","2010","12","23","5546","5549","10.1021/ol102521q","","","0.71073","MoKα","","0.086","0.0386","","","0.0629","0.0738","","","","","","0.857","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503335","11.0811","0.0004","12.4394","0.0004","12.5442","0.0004","90","","90","","90","","1729.12","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 O3 -","- C24 H16 O3 -","- C96 H64 O12 -","4","1","","Sánchez-Larios, Eduardo; Holmes, Janice M.; Daschner, Crystal L.; Gravel, Michel","NHC-catalyzed spiro bis-indane formation via domino Stetter-aldol-Michael and Stetter-aldol-aldol reactions.","Organic letters","2010","12","24","5772","5775","10.1021/ol102685u","","","1.54184","CuKα","","0.0406","0.0401","","","0.1079","0.1085","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503340","5.8079","0.0002","7.6752","0.0002","24.1411","0.0006","90","","90","","90","","1076.13","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-Bromo-1-furan-3-yl-1-phenyl-ethanol","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Zhou, Shuangliu; Chen, Chi-Ren; Gau, Han-Mou","Highly enantioselective 3-furylation of ketones using (3-furyl)titanium nucleophile.","Organic letters","2010","12","1","48","51","10.1021/ol902454n","","","0.71073","MoKα","","0.0277","0.0236","","","0.057","0.0577","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503352","7.7658","0.0013","13.523","0.002","13.641","0.002","90","","90","","90","","1432.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Han, Xiuling; Lu, Xiyan","Control of chemoselectivity by counteranions of cationic palladium complexes: a convenient enantioselective synthesis of dihydrocoumarins.","Organic letters","2010","12","1","108","111","10.1021/ol902538n","","","0.71073","MoKα","","0.0629","0.0442","","","0.098","0.1044","","","","","","0.952","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503353","7.5789","0.0001","15.4126","0.0002","15.8221","0.0003","90","","90","","90","","1848.19","0.05","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N O2 P -","- C19 H24 N O2 P -","- C76 H96 N4 O8 P4 -","4","1","","Popovici, Cristinel; Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; García-Granda, Santiago; Iglesias, María José; López Ortiz, Fernando","Enantioselective desymmetrization of diphenylphosphinamides via (-)-sparteine-mediated ortho-lithiation. Synthesis of P-chiral ligands.","Organic letters","2010","12","3","428","431","10.1021/ol902545q","","","1.5418","CuKα","","0.0457","0.034","","","0.0757","0.0812","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503365","7.2691","0.0001","8.1601","0.0001","14.8411","0.0002","90","","90","","90","","880.32","0.02","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","","Rodrigues, Alessandro; Lee, Ernest E.; Batey, Robert A.","Enantioselective palladium(II)-catalyzed formal [3,3]-sigmatropic rearrangement of 2-allyloxypyridines and related heterocycles.","Organic letters","2010","12","2","260","263","10.1021/ol9025759","","","1.54178","CuKα","","0.0273","0.0266","","","0.0716","0.0724","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503367","6.916","0.002","12.246","0.004","26.475","0.008","90","","90","","90","","2242.3","1.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 O5 -","- C24 H28 O5 -","- C96 H112 O20 -","4","1","","Bow, William F.; Basak, Ashok K.; Jolit, Anais; Vicic, David A.; Tius, Marcus A.","Enamine-iminium ion Nazarov cyclization of alpha-ketoenones.","Organic letters","2010","12","3","440","443","10.1021/ol9025765","","","0.71075","MoKα","","0.212","0.0964","","","0.1207","0.1455","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503368","9.2436","0.0017","15.171","0.003","24.757","0.005","90","","90","","90","","3471.8","1.2","150","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H56 Cl2 O2 Rh2 -","- C34 H56 Cl2 O2 Rh2 -","- C136 H224 Cl8 O8 Rh8 -","4","1","","Brown, M. Kevin; Corey, E. J.","Catalytic enantioselective formation of chiral-bridged dienes which are themselves ligands for enantioselective catalysis.","Organic letters","2010","12","1","172","175","10.1021/ol9025793","","","0.71073","MoKα","","0.0529","0.0413","","","0.0875","0.0935","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503372","16.816","0.003","16.811","0.003","38.298","0.007","90","","90","","90","","10827","3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compd-2","","","- C46 H40 S12 Si4 -","- C46 H40 S12 Si4 -","- C368 H320 S96 Si32 -","8","2","","Wang, Zhihua; Shi, Jianwu; Wang, Jiange; Li, Chunli; Tian, Xinyong; Cheng, Yanxiang; Wang, Hua","Syntheses and Crystal Structures of Benzohexathia[7]helicene and Naphthalene Cored Double Helicene","Organic Letters","2010","12","3","456","459","10.1021/ol902613g","","","0.71073","MoKα","","0.0774","0.0459","","","0.1172","0.1439","","","","","","0.886","","","","has coordinates","210330","2020-10-21","18:00:00",""
"1503375","13.018","0.0004","17.4743","0.0007","25.6126","0.001","90","","90","","90","","5826.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","AG03-p34","toste16","","- C69 H48 Au Cl3 N O2 P -","- C69 H48 Au Cl3 N O2 P -","- C276 H192 Au4 Cl12 N4 O8 P4 -","4","1","","González, Ana Z; Toste, F. Dean","Gold(I)-catalyzed enantioselective [4 + 2]-cycloaddition of allene-dienes.","Organic letters","2010","12","1","200","203","10.1021/ol902622b","","","1.54178","CuKα","","0.0525","0.0404","","","0.0829","0.0871","","","","","","1.017","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1503406","8.4937","0.0005","13.0651","0.0008","15.3562","0.0009","90","","90","","90","","1704.09","0.18","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Chen, Cheng-Hui; Chen, Yu-Kai; Sha, Chin-Kang","Enantioselective total synthesis of otteliones A and B.","Organic letters","2010","12","7","1377","1379","10.1021/ol902776d","","","0.71073","MoKα","","0.0713","0.0433","","","0.0981","0.1123","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503407","8.6362","0.0002","9.5751","0.0002","30.8559","0.0006","90","","90","","90","","2551.55","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H35 I O2 Si2 -","- C19 H35 I O2 Si2 -","- C76 H140 I4 O8 Si8 -","4","1","","Chen, Cheng-Hui; Chen, Yu-Kai; Sha, Chin-Kang","Enantioselective total synthesis of otteliones A and B.","Organic letters","2010","12","7","1377","1379","10.1021/ol902776d","","","0.71073","MoKα","","0.0197","0.0178","","","0.0478","0.0579","","","","","","1.193","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503408","6.9488","0.0003","12.9267","0.0009","21.5644","0.0012","90","","90","","90","","1937.02","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O3 S -","- C22 H26 O3 S -","- C88 H104 O12 S4 -","4","1","","Lecea, Mercedes; Hernández-Torres, Gloria; Urbano, Antonio; Carreño, M Carmen; Colobert, Françoise","Enantioselective total synthesis of the natural gamma-tocopherol metabolite (S)-gamma-CEHC [(S)-LLU-alpha].","Organic letters","2010","12","3","580","583","10.1021/ol9027804","","","0.71073","MoKα","","0.0401","0.0385","","","0.0998","0.1013","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503411","7.1436","0.0015","9.869","0.002","20.461","0.004","90","","90","","90","","1442.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09103a","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","","Hayashi, Ryuji; Feltenberger, John B.; Hsung, Richard P.","Torquoselective ring closures of chiral amido trienes derived from allenamides. A tandem allene isomerization-pericyclic ring-closure-intramolecular Diels-Alder cycloaddition.","Organic letters","2010","12","6","1152","1155","10.1021/ol902821w","","","0.71073","MoKα","","0.0465","0.033","","","0.0762","0.0849","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503412","6.3398","0.0007","10.8464","0.0013","34.702","0.004","90","","90","","90","","2386.2","0.5","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","09166a","","","- C27 H30 N2 O4 S -","- C27 H30 N2 O4 S -","- C108 H120 N8 O16 S4 -","4","1","","Hayashi, Ryuji; Feltenberger, John B.; Hsung, Richard P.","Torquoselective ring closures of chiral amido trienes derived from allenamides. A tandem allene isomerization-pericyclic ring-closure-intramolecular Diels-Alder cycloaddition.","Organic letters","2010","12","6","1152","1155","10.1021/ol902821w","","","0.71073","MoKα","","0.0587","0.0404","","","0.0857","0.0945","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503414","10.7996","0.0006","11.8516","0.0007","17.5643","0.001","90","","90","","90","","2248.1","0.2","298","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br2 N O4 -","- C26 H19 Br2 N O4 -","- C104 H76 Br8 N4 O16 -","4","1","","Hong, Bor-Cherng; Kotame, Prakash; Tsai, Chih-Wei; Liao, Ju-Hsiou","Enantioselective total synthesis of (+)-conicol via cascade three-component organocatalysis.","Organic letters","2010","12","4","776","779","10.1021/ol902840x","","","0.71073","MoKα","","0.107","0.0656","","","0.1029","0.1155","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503418","10.2696","0.0003","12.6091","0.0003","17.8108","0.0005","90","","90","","90","","2306.33","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H40 O3 Si -","- C21 H40 O3 Si -","- C84 H160 O12 Si4 -","4","1","","Schöttner, Elisabeth; Wiechoczek, Maren; Jones, Peter G.; Lindel, Thomas","Enantiospecific synthesis of the cubitane skeleton.","Organic letters","2010","12","4","784","787","10.1021/ol902854t","","","1.54184","CuKα","","0.0258","0.0256","","","0.0687","0.0688","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503436","7.9402","0.0002","11.7992","0.0003","15.7954","0.0004","90","","90","","90","","1479.84","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Xiao, Jian; Xu, Feng-Xia; Lu, Yun-Peng; Loh, Teck-Peng","Chemzymes: a new class of structurally rigid tricyclic amphibian organocatalyst inspired by natural product.","Organic letters","2010","12","6","1220","1223","10.1021/ol9029758","","","0.71073","MoKα","","0.071","0.0512","","","0.1272","0.149","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503438","6.3734","0.0002","12.5913","0.0003","26.0483","0.0006","90","","90","","90","","2090.36","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C92 H112 N8 O12 -","4","1","","Caille, Seb; Boni, Jerome; Cox, Geoffrey B.; Faul, Margaret M.; Franco, Pilar; Khattabi, Saab; Klingensmith, Liane M.; Larrow, Jay F.; Lee, James K.; Martinelli, Michael J.; Miller, Larry M.; Moniz, George A.; Sakai, Kenichi; Tedrow, Jason S.; Hansen, Karl B.","Comparison of Large-Scale Routes to Manufacture Chiralexo-2-Norbornyl Thiourea","Organic Process Research & Development","2010","14","1","133","","10.1021/op9002328","","x-ray","0.71073","MoKα","","0.0775","0.0417","","","0.0737","0.0844","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503460","5.68762","0.0001","13.586","0.0003","24.108","0.0017","90","","90","","90","","1862.87","0.14","123.1","","123.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Fukai, Miyuki; Tsukada, Mariko; Miki, Kazuhiko; Suzuki, Toshihiro; Sugita, Takashi; Kinoshita, Kaoru; Takahashi, Kunio; Shiro, Motoo; Koyama, Kiyotaka","Hypoxylonols C-F, Benzo[j]fluoranthenes from Hypoxylon truncatum.","Journal of natural products","2012","75","1","22","25","10.1021/np2004193","","","1.54187","CuKα","","","0.0313","","","","0.0792","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503463","11.5565","0.0007","14.6892","0.001","22.021","0.0015","90","","90","","90","","3738.2","0.4","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H53 N O8 -","- C41 H53 N O8 -","- C164 H212 N4 O32 -","4","1","","Long, Christophe; Beck, Joséphine; Cantagrel, Frédéric; Marcourt, Laurence; Vendier, Laure; David, Bruno; Plisson, Fabien; Derguini, Fadila; Vandenberghe, Isabelle; Aussagues, Yannick; Ausseil, Frédéric; Lavaud, Catherine; Sautel, François; Massiot, Georges","Proteasome Inhibitors from Neoboutonia melleri.","Journal of natural products","2012","75","1","34","47","10.1021/np200441h","","","0.71073","MoKα","","0.0558","0.0394","","","0.0972","0.1086","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503466","12.48","0.003","13.14","0.003","21.92","0.004","90","","90","","90","","3594.6","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Metacridamide A","","","- C37 H55 N O6 -","- C37 H55 N O6 -","- C148 H220 N4 O24 -","4","1","","Krasnoff, Stuart B.; Englich, Ulrich; Miller, Paula G.; Shuler, Michael L.; Glahn, Raymond P.; Donzelli, Bruno G. G.; Gibson, Donna M.","Metacridamides A and B, Macrocycles from Conidia of the Entomopathogenic Fungus Metarhizium acridum.","Journal of natural products","2012","75","2","175","180","10.1021/np2007044","","","0.9177","Synchrotron","","0.0531","0.0497","","","0.1287","0.1315","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503469","5.6703","0.001","10.858","0.002","23.955","0.004","90","","90","","90","","1474.9","0.4","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O7 -","- C16 H20 O7 -","- C64 H80 O28 -","4","1","","Zheng, Cai-Juan; Shao, Chang-Lun; Guo, Zhi-Yong; Chen, Jian-Feng; Deng, Dong-Sheng; Yang, Kai-Lin; Chen, Yi-Yan; Fu, Xiu-Mei; She, Zhi-Gang; Lin, Yong-Cheng; Wang, Chang-Yun","Bioactive Hydroanthraquinones and Anthraquinone Dimers from a Soft Coral-Derived Alternaria sp. Fungus.","Journal of natural products","2012","75","2","189","197","10.1021/np200766d","","","0.71073","MoKα","","0.0487","0.0357","","","0.0813","0.0879","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503494","6.1676","0.0009","13.819","0.002","26.298","0.004","90","","90","","90","","2241.4","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N3 O4 -","- C25 H27 N3 O4 -","- C100 H108 N12 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou","Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives.","Organic letters","2012","14","2","448","451","10.1021/ol202877m","","","0.71073","MoKα","","0.1173","0.0561","","","0.1179","0.1533","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503495","5.7843","0.0007","21.111","0.003","21.215","0.003","90","","90","","90","","2590.6","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Br N3 O4 -","- C25 H26 Br N3 O4 -","- C100 H104 Br4 N12 O16 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Ding, Chun-Feng; Liao, Ju-Hsiou","Organocatalytic Michael-Knoevenagel-hetero-Diels-Alder reactions: an efficient asymmetric one-pot strategy to isochromene pyrimidinedione derivatives.","Organic letters","2012","14","2","448","451","10.1021/ol202877m","","","0.71073","MoKα","","0.0863","0.0526","","","0.1334","0.1466","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503500","7.2587","0.0007","10.3598","0.001","16.6645","0.0016","90","","90","","90","","1253.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N3 O3 -","- C12 H10 Br N3 O3 -","- C48 H40 Br4 N12 O12 -","4","1","","Liu, Lu; Wu, Deyan; Zheng, Shu; Li, Tengfei; Li, Xiangmin; Wang, Sinan; Li, Jian; Li, Hao; Wang, Wei","Synthesis of highly functionalized chiral 3,3'-disubstituted oxindoles via an organocatalytic enantioselective Michael addition of nitroalkanes to indolylidenecyanoacetates.","Organic letters","2012","14","1","134","137","10.1021/ol202931e","","","0.71073","MoKα","","0.0519","0.0452","","","0.1124","0.1168","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503501","6.9954","0.0004","11.7795","0.0007","29.5906","0.0017","90","","90","","90","","2438.3","0.2","293","2","292","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bicyclo[4.2.0]octa-2,4-diene derivative","","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Kim, Keunsoo; Lauher, Joseph W.; Parker, Kathlyn A.","Asymmetric induction in 8π electrocyclizations. Design of a removable chiral auxiliary.","Organic letters","2012","14","1","138","141","10.1021/ol202932x","","","0.7107","MoKα","","0.1397","0.0364","","","0.0624","0.075","","","","","","0.966","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503506","8.3674","0.0005","10.8816","0.001","28.719","0.002","90","","90","","90","","2614.9","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C120 H168 O20 -","4","1","","Farimani, M. Moridi; Taheri, Salman; Ebrahimi, Samad N.; Bahadori, M. Babak; Khavasi, Hamid R.; Zimmermann, Stefanie; Brun, Reto; Hamburger, Matthias","Hydrangenone, a new isoprenoid with an unprecedented skeleton from Salvia hydrangea.","Organic letters","2012","14","1","166","169","10.1021/ol202953b","","","0.71073","MoKα","","0.1237","0.0691","","","0.109","0.1231","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503513","6.0151","0.0012","10.963","0.002","20.032","0.004","90","","90","","90","","1321","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N O5 -","- C16 H11 N O5 -","- C64 H44 N4 O20 -","4","1","","Gidron, Ori; Shimon, Linda J. W.; Leitus, Gregory; Bendikov, Michael","Reactivity of long conjugated systems: selectivity of Diels-Alder cycloaddition in oligofurans.","Organic letters","2012","14","2","502","505","10.1021/ol202987e","","","0.71073","MoKα","","0.0562","0.0381","","","0.0846","0.0926","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503516","11.68976","0.00018","14.9507","0.0002","18.3439","0.0003","90","","90","","90","","3205.97","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 N2 O2 -","- C38 H46 N2 O2 -","- C152 H184 N8 O8 -","4","1","","Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda","Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones.","Organic letters","2012","14","1","218","221","10.1021/ol203011u","","","1.54184","CuKα","","0.0403","0.0365","","0.0936","0.0894","0.0936","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503522","5.938","0.0001","7.9686","0.0002","27.9472","0.0006","90","","90","","90","","1322.39","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Trost, Barry M.; Bringley, Dustin A.; Seng, Pamela S.","Enantioselective palladium-catalyzed [3 + 2] cycloadditions of trimethylenemethane with nitroalkenes.","Organic letters","2012","14","1","234","237","10.1021/ol2030179","","","1.54178","CuKα","","0.0356","0.0318","","","0.0785","0.0808","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503528","6.0812","0.0004","13.6176","0.0008","15.5864","0.0009","90","","90","","90","","1290.73","0.14","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Denmark, Scott E.; Burk, Matthew T.","Enantioselective bromocycloetherification by Lewis base/chiral Brønsted acid cooperative catalysis.","Organic letters","2012","14","1","256","259","10.1021/ol203033k","","","1.54178","CuKα","","0.0317","0.0305","","","0.0828","0.0838","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503529","6.152","0.0014","9.748","0.0013","26.381","0.004","90","","90","","90","","1582.1","0.5","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C80 H72 N8 -","4","1","","Broman, Søren Lindbæk; Petersen, Anne Ugleholdt; Tortzen, Christian Gregers; Vibenholt, Johan; Bond, Andrew D.; Nielsen, Mogens Brøndsted","A bis(heptafulvenyl)-dicyanoethylene thermoswitch with two sites for ring closure.","Organic letters","2012","14","1","318","321","10.1021/ol2030586","","","0.71073","MoKα","","0.0599","0.0456","","","0.1033","0.1104","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503533","9.1136","0.0006","11.9642","0.0008","13.0996","0.0008","90","","90","","90","","1428.34","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C48 H76 N4 O24 -","4","1","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0628","0.047","","","0.1203","0.1302","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503534","9.6167","0.0007","11.4223","0.0008","15.7554","0.0011","90","","90","","90","","1730.6","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 S -","- C14 H25 N O6 S -","- C56 H100 N4 O24 S4 -","4","1","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0659","0.0459","","","0.0958","0.1045","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503535","6.5524","0.0002","10.82","0.0003","28.23","0.0009","90","","90","","90","","2001.42","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O6 S -","- C17 H29 N O6 S -","- C68 H116 N4 O24 S4 -","4","1","","Aydillo, Carlos; Avenoza, Alberto; Busto, Jesús H; Jiménez-Osés, Gonzalo; Peregrina, Jesús M; Zurbano, María M","A biomimetic approach to lanthionines.","Organic letters","2012","14","1","334","337","10.1021/ol203068s","","","0.71073","MoKα","","0.0575","0.0463","","","0.1095","0.1164","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503557","6.8265","0.0005","9.4699","0.0008","24.772","0.002","90","","90","","90","","1601.4","0.2","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 B N O4 S -","- C13 H28 B N O4 S -","- C52 H112 B4 N4 O16 S4 -","4","1","","De Vries, Timothy S.; Majumder, Supriyo; Sandelin, Angela M.; Wang, Guoqiang; Vedejs, Edwin","Mechanistic variations in ionic hydrogenation of unsaturated phosphine and amine boranes.","Organic letters","2012","14","3","688","691","10.1021/ol2031203","","","0.71073","MoKα","","0.0332","0.033","","","0.0892","0.0893","","","","","","1.171","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503558","7.0668","0.0011","17.519","0.004","24.193","0.004","90","","90","","90","","2995.2","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N5 O11 P -","- C26 H36 N5 O11 P -","- C104 H144 N20 O44 P4 -","4","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Enantioselective Synthesis of Quaternary α-Aminophosphonates via Conjugate Addition of α-Nitrophosphonates to Enones (§).","Organic letters","2012","14","4","980","983","10.1021/ol203132h","","","0.71073","MoKα","","0.4075","0.0971","","","0.1366","0.2165","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503569","8.6577","0.0009","12.786","0.001","33.474","0.004","90","","90","","90","","3705.5","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C168 H160 N16 O40 -","8","2","","Guyonnet, Mathieu; Baudoin, Olivier","Synthesis of tricyclic nitrogen heterocycles by a sequence of palladium-catalyzed N-H and C(sp3)-H arylations.","Organic letters","2012","14","1","398","401","10.1021/ol2031763","","","1.5418","CuKα","","0.0442","0.0431","","0.1194","0.1179","0.1194","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503573","8.0662","0.0003","8.5553","0.0003","18.2403","0.0006","90","","90","","90","","1258.74","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","Liu, Yu; Ma, Shengming","Benzofurans or Isochromenes via the Ring-Opening Cyclization of Cyclopropene Derivatives with Organolithiums.","Organic letters","2012","14","3","720","723","10.1021/ol2032009","","","0.71073","MoKα","","0.0342","0.031","","","0.0751","0.0775","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503580","7.601","0.003","12.967","0.005","13.991","0.005","90","","90","","90","","1379","0.9","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Seki, Tomoaki; Tanaka, Shinji; Kitamura, Masato","Enantioselective synthesis of pyrrolidine-, piperidine-, and azepane-type N-heterocycles with α-alkenyl substitution: the CpRu-catalyzed dehydrative intramolecular N-allylation approach.","Organic letters","2012","14","2","608","611","10.1021/ol203218d","","","0.7107","MoKα","","","0.0318","","","","0.099","","","","","","0.471","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503581","7.521","0.002","16.456","0.005","23.063","0.007","90","","90","","90","","2854.4","1.4","103","2","103","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 -","- C22 H14 -","- C176 H112 -","8","2","","Kawasumi, Katsuaki; Mochida, Kenji; Kajino, Tomonori; Segawa, Yasutomo; Itami, Kenichiro","Pd(OAc)2/o-chloranil/M(OTf)n: a catalyst for the direct C-H arylation of polycyclic aromatic hydrocarbons with boryl-, silyl-, and unfunctionalized arenes.","Organic letters","2012","14","1","418","421","10.1021/ol203235w","","","0.7107","MoKα","","0.1377","0.0974","","","0.2133","0.2403","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503587","7.0822","0.0007","12.7318","0.001","17.576","0.0014","90","","90","","90","","1584.8","0.2","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O3 -","- C19 H22 O3 -","- C76 H88 O12 -","4","1","","Mahendar, Lodi; Krishna, Jonnada; Reddy, Alavala Gopi Krishna; Ramulu, Bokka Venkat; Satyanarayana, Gedu","A domino palladium-catalyzed C-C and C-O bonds formation via dual O-H bond activation: synthesis of 6,6-dialkyl-6H-benzo[c]chromenes.","Organic letters","2012","14","2","628","631","10.1021/ol2032625","","","1.5418","CuKα","","0.0996","0.0928","","","0.3066","0.3088","","","","","","2.264","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503601","5.9241","0.0006","15.5212","0.0015","18.2461","0.0017","90","","90","","90","","1677.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl O3 -","- C21 H17 Cl O3 -","- C84 H68 Cl4 O12 -","4","1","","Liu, Guansai; Wilkerson, Phillip D.; Toth, Christopher A.; Xu, Hao","Highly enantioselective cyclizations of conjugated trienes with low catalyst loadings: a robust chiral N-heterocyclic carbene enabled by acetic Acid cocatalyst.","Organic letters","2012","14","3","858","861","10.1021/ol203375y","","","0.71073","MoKα","","0.0277","0.0268","","","0.0719","0.0726","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503605","9.815","0.001","11.972","0.001","24.772","0.003","90","","90","","90","","2910.8","0.5","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C112 H184 N8 O32 -","8","2","","André, Christophe; Legrand, Baptiste; Deng, Cheng; Didierjean, Claude; Pickaert, Guillaume; Martinez, Jean; Averlant-Petit, Marie Christine; Amblard, Muriel; Calmes, Monique","(S)-ABOC: A Rigid Bicyclic β-Amino Acid as Turn Inducer.","Organic letters","2012","14","4","960","963","10.1021/ol203406v","","x-ray","0.71073","MoKα","","0.0956","0.0502","","","0.0911","0.109","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503616","11.1228","0.0007","18.7458","0.0011","20.9423","0.0013","90","","90","","90","","4366.6","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C128 H200 Cl24 N16 O40 -","8","2","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0448","0.0391","","","0.1002","0.1049","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503617","9.8718","0.0007","10.072","0.0008","16.2663","0.0012","90","","90","","90","","1617.3","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C56 H100 N4 O20 -","4","1","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.0553","0.0545","","","0.1793","0.1799","","","","","","1.211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503618","11.21","0.006","18.823","0.009","20.925","0.01","90","","90","","90","","4415","4","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Cl3 N2 O5 -","- C16 H25 Cl3 N2 O5 -","- C128 H200 Cl24 N16 O40 -","8","2","","Sankar, Kuppusamy; Rahman, Hasibur; Das, Pragna P.; Bhimireddy, Eswar; Sridhar, B.; Mohapatra, Debendra K.","Practical syntheses of proposed and revised manzacidin B and their congeners.","Organic letters","2012","14","4","1082","1085","10.1021/ol203466m","","","0.71073","MoKα","","0.113","0.0748","","","0.1418","0.1576","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503620","6.03188","0.00017","12.4097","0.0004","25.1549","0.0006","90","","90","","90","","1882.94","0.09","123","0.1","123","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Kemppainen, Eeva K.; Sahoo, Gokarneswar; Valkonen, Arto; Pihko, Petri M.","Mukaiyama-Michael reactions with acrolein and methacrolein: a catalytic enantioselective synthesis of the c17-c28 fragment of pectenotoxins.","Organic letters","2012","14","4","1086","1089","10.1021/ol203486p","","","1.54184","CuKα","","0.0444","0.0373","","","0.0883","0.0914","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503637","7.8004","0.0007","11.6387","0.0011","30.824","0.003","90","","90","","90","","2798.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C136 H112 N16 O8 -","8","2","","Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke","Modular synthesis of oxazolines and their derivatives.","Journal of combinatorial chemistry","2009","11","2","220","227","10.1021/cc8001537","","","0.71073","MoKα","","0.0849","0.0614","","","0.1328","0.1449","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503665","10.2116","0.0002","10.8607","0.0003","13.1256","0.0004","90","","90","","90","","1455.7","0.07","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C56 H96 N8 O8 -","4","1","","Fox, David J.; Reckless, Jill; Lingard, Hannah; Warren, Stuart; Grainger, David J.","Highly potent, orally available anti-inflammatory broad-spectrum chemokine inhibitors.","Journal of medicinal chemistry","2009","52","11","3591","3595","10.1021/jm900133w","","","0.71073","MoKα","","0.0523","0.0402","","","0.082","0.0879","","","","","","1.102","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503669","9.8274","0.0008","11.5318","0.0009","17.6885","0.0015","90","","90","","90","","2004.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O8 S -","- C21 H24 O8 S -","- C84 H96 O32 S4 -","4","1","","Li, Zheng; Zhou, Zhao-Li; Miao, Ze-Hong; Lin, Li-Ping; Feng, Hui-Jin; Tong, Lin-Jiang; Ding, Jian; Li, Yuan-Chao","Design and synthesis of novel C14-hydroxyl substituted triptolide derivatives as potential selective antitumor agents.","Journal of medicinal chemistry","2009","52","16","5115","5123","10.1021/jm900342g","","","0.71073","MoKα","","0.0508","0.0433","","","0.094","0.097","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503678","10.074","0.005","10.771","0.003","13.494","0.007","90","","90","","90","","1464.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Cedrón, Juan C; Oberti, Juan C.; Estévez-Braun, Ana; Ravelo, Angel G.; Del Arco-Aguilar, Marcelino; López, Matías","Pancratium canariense as an important source of amaryllidaceae alkaloids.","Journal of natural products","2009","72","1","112","116","10.1021/np800459d","","","0.71073","MoKα","","0.0463","0.0436","","","0.1144","0.1169","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503686","11.605","0.007","12.335","0.007","20.051","0.011","90","","90","","90","","2870","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C120 H208 O16 -","8","2","","Ma, Wen-Hui; Huang, Hai; Zhou, Pei; Chen, Dao-Feng","Schisanwilsonenes A-C, anti-HBV Carotane sesquiterpenoids from the fruits of Schisandra wilsoniana.","Journal of natural products","2009","72","4","676","678","10.1021/np8007864","","","0.71073","MoKα","","0.1769","0.0917","","","0.1832","0.2105","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503687","7.222","0.003","15.037","0.007","24.038","0.011","90","","90","","90","","2610","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O4 -","- C30 H46 O4 -","- C120 H184 O16 -","4","1","","Li, Yong-Li; Yang, Xian-Wen; Li, Su-Mei; Shen, Yun-Heng; Zeng, Hua-Wu; Liu, Xiao-Hua; Tang, Jian; Zhang, Wei-Dong","Terpenoid constituents of Abies chensiensis with potential anti-inflammatory activity.","Journal of natural products","2009","72","6","1065","1068","10.1021/np800790h","","","0.71073","MoKα","","0.0875","0.0566","","","0.1271","0.1457","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503688","10.04377","0.00018","12.165","0.0002","19.2375","0.0007","90","","90","","90","","2350.49","0.1","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 Br O4 -","- C27 H33 Br O4 -","- C108 H132 Br4 O16 -","4","1","","Matsuno, Yosuke; Deguchi, Jun; Hosoya, Takahiro; Hirasawa, Yusuke; Hirobe, Chieko; Shiro, Motoo; Morita, Hiroshi","Sucutiniranes C-F, cassane-type diterpenes from Bowdichia nitida.","Journal of natural products","2009","72","5","976","979","10.1021/np900023d","","","1.54187","CuKα","","","0.0198","","","","0.0502","","","","","","1.073","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503689","5.481","0.001","9.784","0.001","24.207","0.001","90","","90","","90","","1298.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N0 O7 -","- C12 H18 O7 -","- C48 H72 O28 -","4","1","","Yu, Yong-Ming; Yang, Jun-Shan; Peng, Chao-Zhong; Caer, Valerie; Cong, Pu-Zhu; Zou, Zhong-Mei; Lu, Yang; Yang, Shi-Ying; Gu, Yu-Cheng","Lactones from Angiopteris caudatiformis.","Journal of natural products","2009","72","5","921","924","10.1021/np900027m","","","0.71073","MoKα","","0.039","0.0347","","","0.0933","0.0965","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503690","8.4483","0.0017","15.923","0.003","23.947","0.005","90","","90","","90","","3221.4","1.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H37 F3 O9 -","- C37 H37 F3 O9 -","- C148 H148 F12 O36 -","4","1","","Li, Yan; Ye, Dezan; Chen, Xulin; Lu, Xinhua; Shao, Zongze; Zhang, Hua; Che, Yongsheng","Breviane spiroditerpenoids from an extreme-tolerant Penicillium sp. isolated from a deep sea sediment sample.","Journal of natural products","2009","72","5","912","916","10.1021/np900116m","","","0.71073","MoKα","","0.0555","0.054","","","0.1171","0.1177","","","","","","1.225","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503696","7.2899","0.0004","11.7817","0.0006","36.3289","0.0017","90","","90","","90","","3120.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 O5 S -","- C32 H52 O5 S -","- C128 H208 O20 S4 -","4","1","","Chen, Wen-Hao; Qi, Huan-Yang; Shi, Yan-Ping","24-Hydroxyoleanane-type triterpenes from the aerial parts and roots of Oxytropis falcata.","Journal of natural products","2009","72","8","1410","1413","10.1021/np900199x","","","0.71073","MoKα","","0.0705","0.0635","","","0.1753","0.1823","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503699","11.856","0.002","13.164","0.003","17.373","0.004","90","","90","","90","","2711.4","1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O9 -","- C26 H36 O9 -","- C104 H144 O36 -","4","1","","Lin, Yu-Chi; Abd El-Razek, Mohamed H; Hwang, Tsong-Long; Chiang, Michael Y.; Kuo, Yao-Haur; Dai, Chang-Feng; Shen, Ya-Ching","Asterolaurins A-F, xenicane diterpenoids from the Taiwanese soft coral Asterospicularia laurae.","Journal of natural products","2009","72","11","1911","1916","10.1021/np900231e","","","0.71073","MoKα","","0.0637","0.0448","","","0.1087","0.1193","","","","","","1.043","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503701","12.406","0.001","13.593","0.001","16.49","0.001","90","","90","","90","","2780.8","0.3","293","2","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 O12 -","- C29 H38 O12 -","- C116 H152 O48 -","4","1","","Xiao, Wei-Lie; Gong, Yan-Qing; Wang, Rui-Rui; Weng, Zhi-Ying; Luo, Xiao; Li, Xiao-Nian; Yang, Guang-Yu; He, Fei; Pu, Jian-Xin; Yang, Liu-Meng; Zheng, Yong-Tang; Lu, Yang; Sun, Han-Dong","Bioactive Nortriterpenoids from Schisandra grandiflora.","Journal of natural products","2009","72","9","1678","1681","10.1021/np900292e","","","0.71073","MoKα","","0.0605","0.053","","","0.1369","0.1434","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503702","10.825","0.001","11.335","0.001","22.723","0.002","90","","90","","90","","2788.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 O11 -","- C29 H36 O11 -","- C116 H144 O44 -","4","1","","Xiao, Wei-Lie; Gong, Yan-Qing; Wang, Rui-Rui; Weng, Zhi-Ying; Luo, Xiao; Li, Xiao-Nian; Yang, Guang-Yu; He, Fei; Pu, Jian-Xin; Yang, Liu-Meng; Zheng, Yong-Tang; Lu, Yang; Sun, Han-Dong","Bioactive Nortriterpenoids from Schisandra grandiflora.","Journal of natural products","2009","72","9","1678","1681","10.1021/np900292e","","","0.71073","MoKα","","0.0428","0.0394","","","0.101","0.1041","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503703","8.8804","0.0004","16.4376","0.0008","22.1252","0.001","90","","90","","90","","3229.7","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O11 -","- C35 H44 O11 -","- C140 H176 O44 -","4","1","","Li, Min-Yi; Yang, Sheng-Xin; Pan, Jian-Yu; Xiao, Qiang; Satyanandamurty, Tirumani; Wu, Jun","Moluccensins A-G, phragmalins with a conjugated C-30 carbonyl group from a Krishna mangrove, Xylocarpus moluccensis.","Journal of natural products","2009","72","9","1657","1662","10.1021/np9003504","","","0.71073","MoKα","","0.0502","0.0374","","","0.0918","0.0994","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503705","6.646","0.002","17.261","0.005","22.793","0.006","90","","90","","90","","2614.7","1.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 O4 -","- C29 H40 O4 -","- C116 H160 O16 -","4","1","","Ma, Wai S.; Mutka, Tina; Vesley, Brian; Amsler, Margaret O.; McClintock, James B.; Amsler, Charles D.; Perman, Jason A.; Singh, Maya P.; Maiese, William M.; Zaworotko, Michael J.; Kyle, Dennis E.; Baker, Bill J.","Norselic acids A-E, highly oxidized anti-infective steroids that deter mesograzer predation, from the Antarctic sponge Crella sp.","Journal of natural products","2009","72","10","1842","1846","10.1021/np900382x","","","1.54178","CuKα","","0.0948","0.0629","","","0.1586","0.1825","","","","","","1.056","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503712","9.1208","0.0018","12.849","0.003","17.357","0.004","90","","90","","90","","2034.1","0.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Br N2 O2 -","- C24 H19 Br N2 O2 -","- C96 H76 Br4 N8 O8 -","4","1","","Kim, Yongju; Kim, Jonghoon; Park, Seung Bum","Regioselective synthesis of tetrasubstituted pyrroles by 1,3-dipolar cycloaddition and spontaneous decarboxylation.","Organic letters","2009","11","1","17","20","10.1021/ol8022193","","","0.71073","MoKα","","0.0824","0.0482","","","0.0968","0.1081","","","","","","1.002","","","","has coordinates","211176","2020-10-21","18:00:00",""
"1503715","10.1053","0.001","10.393","0.001","12.6745","0.0012","90","","90","","90","","1331.1","0.2","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C52 H96 O16 -","4","1","","Ramirez, Armando P.; Thomas, Andrew M.; Woerpel, K. A.","Preparation of bicyclic 1,2,4-trioxanes from gamma,delta-unsaturated ketones.","Organic letters","2009","11","3","507","510","10.1021/ol8022853","","","0.71073","MoKα","","0.0348","0.0328","","","0.086","0.0888","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503718","9.1374","0.0004","16.5065","0.0008","18.0121","0.0009","90","","90","","90","","2716.7","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cis-(Dibromo)-[(2S,3S)-bis(diphenylphosphino)butane]-palladium(ii)","","- C28 H28 Br2 P2 Pd -","- C28 H28 Br2 P2 Pd -","- C112 H112 Br8 P8 Pd4 -","4","1","","Rubio-Pérez, Laura; Pérez-Flores, F Javier; Sharma, Pankaj; Velasco, Luis; Cabrera, Armando","Stable preformed chiral palladium catalysts for the one-pot asymmetric reductive amination of ketones.","Organic letters","2009","11","2","265","268","10.1021/ol802336m","","","0.71073","MoKα","","0.0408","0.034","","","0.0687","0.071","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503722","6.1369","0.0012","16.452","0.003","17.008","0.003","90","","90","","90","","1717.2","0.6","150","1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Martins, Andrew; Lemouzy, Sébastien; Lautens, Mark","Bifunctional reactivity of Cu(I): sequential ring opening/N-arylation.","Organic letters","2009","11","1","181","183","10.1021/ol802357e","","","0.71073","MoKα","","0.0806","0.055","","","0.1332","0.1475","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503731","11.549","0.003","13.094","0.003","14.467","0.003","90","","90","","90","","2187.7","0.9","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N O P S -","- C23 H24 N O P S -","- C92 H96 N4 O4 P4 S4 -","4","1","","Meng, Xiangtai; Huang, You; Chen, Ruyu","Bifunctional phosphine-catalyzed domino reaction: highly stereoselective synthesis of cis-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allenes.","Organic letters","2009","11","1","137","140","10.1021/ol802453c","","","0.71073","MoKα","","0.0615","0.04","","","0.0957","0.1082","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503733","6.4397","0.0002","15.3604","0.0004","31.2247","0.001","90","","90","","90","","3088.63","0.16","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O5 -","- C15 H24 O5 -","- C120 H192 O40 -","8","2","","Zheng, Yongbiao; Shen, Yuemao","Clavicorolides A and B, sesquiterpenoids from the fermentation products of edible fungus Clavicorona pyxidata.","Organic letters","2009","11","1","109","112","10.1021/ol8024549","","","0.71073","MoKα","","0.0432","0.0363","","","0.0838","0.086","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503734","7.6492","0.0018","11.685","0.003","23.902","0.006","90","","90","","90","","2136.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Br O6 -","- C22 H24 Br O6 -","- C88 H96 Br4 O24 -","4","1","","Zheng, Yongbiao; Shen, Yuemao","Clavicorolides A and B, sesquiterpenoids from the fermentation products of edible fungus Clavicorona pyxidata.","Organic letters","2009","11","1","109","112","10.1021/ol8024549","","","0.71073","MoKα","","0.0821","0.0498","","","0.0863","0.0929","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503739","5.9303","0.0003","10.3195","0.0007","39.85","0.003","90","","90","","90","","2438.7","0.3","150","1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C112 H144 N8 O8 -","4","1","","Kim, Hyunwoo; Staikova, Mima; Lough, Alan J.; Chin, Jik","Stereospecific synthesis of alkyl-substituted vicinal diamines from the mother diamine: overcoming the ""intrinsic barrier"" to the diaza-Cope rearrangement reaction.","Organic letters","2009","11","1","157","160","10.1021/ol802496r","","","0.71073","MoKα","","0.0799","0.0514","","","0.1223","0.1411","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503740","9.7907","0.0001","18.3356","0.0002","22.0661","0.0002","90","","90","","90","","3961.27","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C176 H224 N16 O16 -","8","2","","Kim, Hyunwoo; Staikova, Mima; Lough, Alan J.; Chin, Jik","Stereospecific synthesis of alkyl-substituted vicinal diamines from the mother diamine: overcoming the ""intrinsic barrier"" to the diaza-Cope rearrangement reaction.","Organic letters","2009","11","1","157","160","10.1021/ol802496r","","","1.54178","CuKα","","0.0251","0.0246","","","0.0648","0.0653","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503741","11.3462","0.001","20.7132","0.0017","24.828","0.002","90","","90","","90","","5835","0.8","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H80 N4 O12 -","- C66 H80 N4 O12 -","- C264 H320 N16 O48 -","4","1","","Nagase, Hiroshi; Watanabe, Akio; Harada, Masaya; Nakajima, Mayumi; Hasebe, Ko; Mochizuki, Hidenori; Yoza, Kenji; Fujii, Hideaki","Novel synthesis of a 1,3,5-trioxazatriquinane skeleton using a nitrogen clamp.","Organic letters","2009","11","3","539","542","10.1021/ol8024988","","","0.71073","MoKα","","0.0903","0.0512","","","0.1011","0.1153","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503747","14.3528","0.0007","15.0877","0.0007","15.1959","0.0006","90","","90","","90","","3290.7","0.3","193","2","193","2","","","","","","","chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","JYW02157","Dichloro(6-methyl-2-((α-methyl)benzyliminomethyl)pyridine-N,N')iron(II)","","- C15 H16 Cl2 Fe N2 -","- C15 H16 Cl2 Fe N2 -","- C120 H128 Cl16 Fe8 N16 -","8","2","","Moreau, Benoît; Wu, Jessica Y.; Ritter, Tobias","Iron-catalyzed 1,4-addition of alpha-olefins to dienes.","Organic letters","2009","11","2","337","339","10.1021/ol802524r","","","0.71073","MoKα","","0.0944","0.0464","","","0.0849","0.1029","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503749","10.7995","0.0007","17.4049","0.0012","22.8146","0.0016","90","","90","","90","","4288.3","0.5","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H63 N3 O -","- C51 H63 N3 O -","- C204 H252 N12 O4 -","4","1","","Simonovic, Stevan; Frison, Jean-Cédric; Koyuncu, Hasan; Whitwood, Adrian C.; Douthwaite, Richard E.","Addition of N-heterocyclic carbenes to imines: phenoxide assisted deprotonation of an imidazolium moiety and generation of breslow intermediates derived from imines.","Organic letters","2009","11","1","245","247","10.1021/ol802572n","","","0.71073","MoKα","","0.0698","0.0475","","","0.0887","0.0972","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503760","10.3629","0.0019","14.474","0.003","15.641","0.003","90","","90","","90","","2346","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O2 -","- C28 H34 N2 O2 -","- C112 H136 N8 O8 -","4","1","","Han, Chong; Rangarajan, Sathish; Voukides, Alicia C.; Beeler, Aaron B.; Johnson, Richard; Porco, Jr, John A","Reaction discovery employing macrocycles: transannular cyclizations of macrocyclic bis-lactams.","Organic letters","2009","11","2","413","416","10.1021/ol802729f","","","0.71073","MoKα","","0.0718","0.0498","","","0.1118","0.1237","","","","","","0.927","","","","has coordinates","287880","2023-11-30","10:41:25",""
"1503764","6.108","0.002","17.021","0.006","17.923","0.007","90","","90","","90","","1863.4","1.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O3 -","- C21 H21 Br O3 -","- C84 H84 Br4 O12 -","4","1","","Kaeobamrung, Juthanat; Bode, Jeffrey W.","Stereodivergency of triazolium and imidazolium-derived NHCs for catalytic, enantioselective cyclopentane synthesis.","Organic letters","2009","11","3","677","680","10.1021/ol802739d","","","0.71073","MoKα","","0.2082","0.0568","","","0.1177","0.155","","","","","","0.778","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503765","6.843","0.003","15.583","0.007","17.024","0.007","90","","90","","90","","1815.3","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Br O5 -","- C18 H21 Br O5 -","- C72 H84 Br4 O20 -","4","1","","Kaeobamrung, Juthanat; Bode, Jeffrey W.","Stereodivergency of triazolium and imidazolium-derived NHCs for catalytic, enantioselective cyclopentane synthesis.","Organic letters","2009","11","3","677","680","10.1021/ol802739d","","","0.71073","MoKα","","0.2654","0.0673","","","0.1332","0.1715","","","","","","0.756","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503766","6.9519","0.0007","9.6821","0.001","27.119","0.003","90","","90","","90","","1825.4","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Br O5 -","- C18 H21 Br O5 -","- C72 H84 Br4 O20 -","4","1","","Kaeobamrung, Juthanat; Bode, Jeffrey W.","Stereodivergency of triazolium and imidazolium-derived NHCs for catalytic, enantioselective cyclopentane synthesis.","Organic letters","2009","11","3","677","680","10.1021/ol802739d","","","0.71073","MoKα","","0.0456","0.039","","","0.1036","0.1088","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503768","4.6217","0.0003","11.4672","0.0006","21.6268","0.0012","90","","90","","90","","1146.18","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O S -","- C14 H11 N O S -","- C56 H44 N4 O4 S4 -","4","1","","Kaeothip, Sophon; Pornsuriyasak, Papapida; Rath, Nigam P.; Demchenko, Alexei V.","Unexpected orthogonality of S-benzoxazolyl and S-thiazolinyl glycosides: application to expeditious oligosaccharide assembly.","Organic letters","2009","11","4","799","802","10.1021/ol802740b","","","0.71073","MoKα","","0.0366","0.0322","","","0.0745","0.0766","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503785","8.9946","0.0005","19.779","0.001","22.9368","0.0012","90","","90","","90","","4080.6","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 F6 N4 O9 Pd S2 -","- C38 H32 F6 N4 O8.8 Pd S2 -","- C152 H128 F24 N16 O35.2 Pd4 S8 -","4","1","","Ma, Guang-Ning; Zhang, Tao; Shi, Min","Catalytic enantioselective arylation of N-tosylarylimines with arylboronic acids using C2-symmetric cationic N-heterocyclic carbene Pd(2+) diaquo complexes.","Organic letters","2009","11","4","875","878","10.1021/ol802861s","","","0.71073","MoKα","","0.0806","0.0507","","","0.0966","0.1174","","","","","","0.873","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503786","17.0749","0.0005","24.0641","0.0006","24.8996","0.0006","90","","90","","90","","10231","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H36 O11 -","- C39 H36 O11 -","- C468 H432 O132 -","12","3","","Gong, Hegui; Andrews, R. Stephen; Zuccarello, Joseph L.; Lee, Stephen J.; Gagné, Michel R","Sn-free Ni-catalyzed reductive coupling of glycosyl bromides with activated alkenes.","Organic letters","2009","11","4","879","882","10.1021/ol8028737","","","0.71073","MoKα","","0.1268","0.0661","","","0.1615","0.2006","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503789","17.984","0.004","19.53","0.004","28.447","0.006","90","","90","","90","","9991","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 O17 S4 -","- C45 H58 O17 S4 -","- C360 H464 O136 S32 -","8","2","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.068","0.0444","","","0.0947","0.1","","","","","","0.913","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503803","7.7558","0.0002","11.4466","0.0002","16.8079","0.0003","90","","90","","90","","1492.16","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C76 H56 O16 -","4","1","","Zhou, Zaichun; Cao, Chenzhong; Yin, Zhiqing; Liu, Qiuhua","Bis(zinc porphyrin) bridged by benzo orthocarbonates as a conformational switch under regulation of DABCO and a Cu+ ion.","Organic letters","2009","11","8","1781","1784","10.1021/ol802976h","","","0.71073","MoKα","","0.0352","0.0275","","","0.0594","0.0643","","","","","","1.065","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503806","9.6622","0.0003","10.4643","0.0003","15.9542","0.0006","90","","90","","90","","1613.1","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","","Silvanus, Andrew C.; Heffernan, Stephen J.; Liptrot, David J.; Kociok-Köhn, Gabriele; Andrews, Benjamin I.; Carbery, David R.","Stereoselective double Friedel-Crafts alkylation of indoles with divinyl ketones.","Organic letters","2009","11","5","1175","1178","10.1021/ol900014a","","","0.71073","MoKα","","0.0638","0.0512","","","0.1184","0.1268","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503812","6.8172","0.0007","10.3242","0.001","29.214","0.003","90","","90","","90","","2056.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Cl N2 O4 -","- C22 H19 Cl N2 O4 -","- C88 H76 Cl4 N8 O16 -","4","1","","Xia, Ji-Bao; You, Shu-Li","Synthesis of 3-haloindolizines by copper(II) halide mediated direct functionalization of indolizines.","Organic letters","2009","11","5","1187","1190","10.1021/ol9000872","","","0.71073","MoKα","","0.0615","0.049","","","0.1193","0.1251","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503822","8.6297","0.0005","10.2315","0.0004","16.3301","0.0009","90","","90","","90","","1441.86","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 S2 -","- C14 H20 O4 S2 -","- C56 H80 O16 S8 -","4","1","","Beye, Garrison E.; Goodman, Jonathan M.; Ward, Dale E.","Synthetic studies on siphonariid polypropionates: synthesis and isomerization of the caloundrin B trioxaadamantane ring system.","Organic letters","2009","11","6","1373","1376","10.1021/ol900192q","","","0.71073","MoKα","","0.0585","0.0446","","","0.0831","0.0921","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503839","5.5253","0.0003","8.5106","0.0004","30.7793","0.001","90","","90","","90","","1447.35","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br N O3 -","- C14 H16 Br N O3 -","- C56 H64 Br4 N4 O12 -","4","1","","Tan, Bin; Zeng, Xiaofei; Lu, Yunpeng; Chua, Pei Juan; Zhong, Guofu","Rational design of organocatalyst: highly stereoselective Michael addition of cyclic ketones to nitroolefins.","Organic letters","2009","11","9","1927","1930","10.1021/ol900330p","","","0.71073","MoKα","","0.0539","0.036","","","0.0828","0.1008","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503840","10.0965","0.0003","13.5161","0.0005","15.1758","0.0005","90","","90","","90","","2070.97","0.12","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 I N O -","- C24 H26 I N O -","- C96 H104 I4 N4 O4 -","4","1","","Pira, Silvain L.; Wallace, Timothy W.; Graham, Jonathan P.","Enantioselective route to 5-methyl- and 5,7-dimethyl-6,7-dihydro-5H-dibenz[c,e]azepine: secondary amines with switchable axial chirality.","Organic letters","2009","11","7","1663","1666","10.1021/ol900333c","","x-ray","0.71073","MoKα","","0.1163","0.0756","","","0.1616","0.184","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503842","8.1083","0.0005","10.844","0.0006","27.2736","0.0016","90","","90","","90","","2398.1","0.2","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O4 S -","- C24 H40 N2 O4 S -","- C96 H160 N8 O16 S4 -","4","1","","Paderes, Monissa C.; Chemler, Sherry R.","Diastereoselective pyrrolidine synthesis via copper promoted intramolecular aminooxygenation of alkenes: formal synthesis of (+)-monomorine.","Organic letters","2009","11","9","1915","1918","10.1021/ol9003492","","","0.71073","MoKα","","0.0305","0.0255","","","0.0618","0.0649","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503851","9.234","0.0003","9.606","0.0003","17.638","0.0006","90","","90","","90","","1564.52","0.09","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C64 H88 O24 -","4","1","","Jones, Regan A.; Krische, Michael J.","Asymmetric total synthesis of the iridoid beta-glucoside (+)-geniposide via phosphine organocatalysis.","Organic letters","2009","11","8","1849","1851","10.1021/ol900360h","","","0.71073","MoKα","","0.0575","0.0415","","","0.0885","0.0957","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503852","4.266","0.0005","14.4142","0.0016","20.684","0.002","90","","90","","90","","1271.9","0.2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 Cl2 N O4 -","- C13 H7 Cl2 N O4 -","- C52 H28 Cl8 N4 O16 -","4","1","","Jones, Regan A.; Krische, Michael J.","Asymmetric total synthesis of the iridoid beta-glucoside (+)-geniposide via phosphine organocatalysis.","Organic letters","2009","11","8","1849","1851","10.1021/ol900360h","","","0.7107","MoKα","","0.161","0.0702","","","0.0895","0.1108","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503857","9.15783","0.00017","17.0989","0.0003","17.1807","0.0003","90","","90","","90","","2690.31","0.08","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2,2-Dimethylpropyl)-3-bromo-4-(2-methoxynaphthalen-1-yl)- 5,6,7,8-tetrahydro-1H-quinolin-2-one","","- C31 H34 Br N O2 -","- C31 H34 Br N O2 -","- C124 H136 Br4 N4 O8 -","4","1","","Imase, Hidetomo; Suda, Takeshi; Shibata, Yu; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken","Highly enantioselective construction of axial chirality by palladium-catalyzed cycloisomerization of N-alkenyl arylethynylamides.","Organic letters","2009","11","8","1805","1808","10.1021/ol900373z","","","1.54187","CuKα","","0.0392","0.0338","","","0.0801","0.0855","","","","","","1.198","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503863","8.7153","0.0007","9.8625","0.0009","24.055","0.002","90","","90","","90","","2067.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C92 H96 N8 O20 -","4","1","","Medimagh, Raouf; Marque, Sylvain; Prim, Damien; Marrot, Jérôme; Chatti, Saber","Concise synthesis of tricyclic isoindolinones via one-pot cascade multicomponent sequences.","Organic letters","2009","11","8","1817","1820","10.1021/ol9003965","","","0.71073","MoKα","","0.0702","0.0399","","","0.106","0.1295","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503867","11.524","0.015","13.1","0.013","13.534","0.011","90","","90","","90","","2043","4","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br O3 -","- C24 H23 Br O3 -","- C96 H92 Br4 O12 -","4","1","","Tomizawa, Masaki; Shibuya, Masatoshi; Iwabuchi, Yoshiharu","Highly enantioselective organocatalytic oxidative kinetic resolution of secondary alcohols using chirally modified AZADOs.","Organic letters","2009","11","8","1829","1831","10.1021/ol900441f","","","0.71075","MoKα","","0.0507","0.0363","","","0.0871","0.0957","","","","","","0.951","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503873","7.382","0.0013","12.748","0.002","15.264","0.003","90","","90","","90","","1436.4","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 I N2 O3 -","- C11 H19 I N2 O3 -","- C44 H76 I4 N8 O12 -","4","1","","Estarellas, Carolina; Rotger, M. Carmen; Capó, Magdalena; Quiñonero, David; Frontera, Antonio; Costa, Antoni; Deyà, Pere M.","Anion-π interactions in four-membered rings","Organic Letters","2009","11","9","1987","1990","10.1021/ol900470r","","","0.71073","MoKα","","0.0255","0.0232","","","0.0487","0.0497","","","","","","0.957","","","","has coordinates","218666","2020-10-21","18:00:00",""
"1503877","9.0429","0.0009","14.936","0.002","19.4631","0.0018","90","","90","","90","","2628.8","0.5","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cl2 O4 P2 Pt -","- C24 H34 Cl2 O4 P2 Pt -","- C96 H136 Cl8 O16 P8 Pt4 -","4","1","","Morisaki, Yasuhiro; Imoto, Hiroaki; Tsurui, Kazuhiko; Chujo, Yoshiki","Practical synthesis of P-stereogenic diphosphacrowns.","Organic letters","2009","11","11","2241","2244","10.1021/ol900504e","","","0.71075","MoKα","","0.0219","0.0198","","","0.0581","0.06","","","","","","0.509","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503878","9.2921","0.0016","14.879","0.002","18.8246","0.0018","90","","90","","90","","2602.6","0.6","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cl2 O4 P2 Pd -","- C24 H34 Cl2 O4 P2 Pd -","- C96 H136 Cl8 O16 P8 Pd4 -","4","1","","Morisaki, Yasuhiro; Imoto, Hiroaki; Tsurui, Kazuhiko; Chujo, Yoshiki","Practical synthesis of P-stereogenic diphosphacrowns.","Organic letters","2009","11","11","2241","2244","10.1021/ol900504e","","","0.71075","MoKα","","0.0308","0.0278","","","0.0826","0.0905","","","","","","0.748","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503895","8.7523","0.0006","10.4027","0.0007","27.1256","0.0019","90","","90","","90","","2469.7","0.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Cl2 N O P Pd -","- C26 H28 Cl2 N O P Pd -","- C104 H112 Cl8 N4 O4 P4 Pd4 -","4","1","","Bélanger, Etienne; Pouliot, Marie-France; Paquin, Jean-François","Use of 5,5-(dimethyl)-i-Pr-PHOX as a practical equivalent to t-Bu-PHOX in asymmetric catalysis.","Organic letters","2009","11","10","2201","2204","10.1021/ol9005618","","","0.71073","MoKα","","0.0206","0.0191","","","0.0457","0.0464","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503896","10.466","0.0006","11.7421","0.0007","27.8012","0.0017","90","","90","","90","","3416.6","0.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl8 N O P Pd -","- C28 H32 Cl8 N O P Pd -","- C112 H128 Cl32 N4 O4 P4 Pd4 -","4","1","","Bélanger, Etienne; Pouliot, Marie-France; Paquin, Jean-François","Use of 5,5-(dimethyl)-i-Pr-PHOX as a practical equivalent to t-Bu-PHOX in asymmetric catalysis.","Organic letters","2009","11","10","2201","2204","10.1021/ol9005618","","","0.71073","MoKα","","0.0497","0.0468","","","0.1213","0.1229","","","","","","1.122","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503904","10.795","0.002","12.833","0.003","13.549","0.003","90","","90","","90","","1877","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br O5 -","- C20 H23 Br O5 -","- C80 H92 Br4 O20 -","4","1","","Calter, Michael A.; Wang, Jun","Catalytic, asymmetric Michael reactions of cyclic diketones with beta,gamma-unsaturated alpha-ketoesters.","Organic letters","2009","11","10","2205","2208","10.1021/ol900586f","","","0.71073","MoKα","","0.0746","0.043","","","0.0716","0.0799","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503905","5.8676","0.0002","8.9556","0.0003","27.5262","0.0008","90","","90","","90","","1446.44","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Ruppel, Joshua V.; Gauthier, Ted J.; Snyder, Nicole L.; Perman, Jason A.; Zhang, X. Peter","Asymmetric Co(II)-catalyzed cyclopropanation with succinimidyl diazoacetate: general synthesis of chiral cyclopropyl carboxamides.","Organic letters","2009","11","11","2273","2276","10.1021/ol9005882","","","1.54178","CuKα","","0.052","0.0392","","","0.1048","0.1103","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503919","7.6848","0.0017","10.09","0.002","17.842","0.004","90","","90","","90","","1383.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09032a","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Hayashi, Ryuji; Hsung, Richard P.; Feltenberger, John B.; Lohse, Andrew G.","Regio- and stereoselective isomerizations of allenamides: synthesis of 2-amido-dienes and their tandem isomerization-electrocyclic ring-closure.","Organic letters","2009","11","10","2125","2128","10.1021/ol900647s","","","0.71073","MoKα","","0.0357","0.0297","","","0.0784","0.084","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503924","6.7893","0.0002","10.428","0.0002","23.669","0.0005","90","","90","","90","","1675.74","0.07","100","2","100","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","6-(1-hydroxy-1-methyl-ethyl)-3,3-dimethyl- 7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid","","","- C12 H18 Cl3 N O4 S -","- C12 H18 Cl3 N O4 S -","- C48 H72 Cl12 N4 O16 S4 -","4","1","","Testero, Sebastian A.; O'Daniel, Peter I; Shi, Qicun; Lee, Mijoon; Hesek, Dusan; Ishiwata, Akihiro; Noll, Bruce C.; Mobashery, Shahriar","Regiospecific syntheses of 6alpha-(1R-Hydroxyoctyl)penicillanic acid and 6beta-(1R-hydroxyoctyl)penicillanic acid as mechanistic probes of class D beta-lactamases.","Organic letters","2009","11","12","2515","2518","10.1021/ol900668k","","x-ray","1.54178","CuKα","","0.0236","0.0234","","","0.0605","0.0606","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503926","10.102","0.0003","12.1513","0.0004","16.7878","0.0005","90","","90","","90","","2060.74","0.11","100","2","100","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","Benzhydryl 6,6-dibromopenicillanate","","","- C21 H19 Br2 N O3 S -","- C21 H19 Br2 N O3 S -","- C84 H76 Br8 N4 O12 S4 -","4","1","","Testero, Sebastian A.; O'Daniel, Peter I; Shi, Qicun; Lee, Mijoon; Hesek, Dusan; Ishiwata, Akihiro; Noll, Bruce C.; Mobashery, Shahriar","Regiospecific syntheses of 6alpha-(1R-Hydroxyoctyl)penicillanic acid and 6beta-(1R-hydroxyoctyl)penicillanic acid as mechanistic probes of class D beta-lactamases.","Organic letters","2009","11","12","2515","2518","10.1021/ol900668k","","x-ray","1.54178","CuKα","","0.0301","0.03","","","0.0762","0.0763","","","","","","1.137","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503933","9.1658","0.0011","10.0683","0.0012","20.92","0.002","90","","90","","90","","1930.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0691","0.0527","","","0.1433","0.1604","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503934","10.3321","0.0009","12.9156","0.0011","14.6989","0.0012","90","","90","","90","","1961.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C72 H104 N8 O20 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0688","0.0464","","","0.113","0.1272","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503936","8.1499","0.0005","11.39","0.0007","21.5007","0.0014","90","","90","","90","","1995.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0485","0.0402","","","0.1061","0.1136","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503937","8.5922","0.0006","15.1199","0.0011","15.2994","0.0011","90","","90","","90","","1987.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0547","0.0423","","","0.106","0.1149","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503955","12.3403","0.0004","14.6166","0.0004","15.2085","0.0005","90","","90","","90","","2743.21","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 N2 O4 -","- C31 H42 N2 O4 -","- C124 H168 N8 O16 -","4","1","","Xiao, Jian; Loh, Teck-Peng","Design, synthesis and optical resolution of new bifunctional ligand: 1,1'-dimethyl-octahydro-8,8'-biquinoline-7,7'-diol.","Organic letters","2009","11","13","2876","2879","10.1021/ol900790z","","","0.71073","MoKα","","0.0596","0.0421","","","0.1068","0.1319","","","","","","1.184","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503962","9.4608","0.0005","13.0758","0.0006","14.0284","0.0008","90","","90","","90","","1735.42","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2,2,2-Trichloro-acetyl)-carbamic acid (1R,2S,3S,4S,7R,8S)- 4-methoxymethyl-11-oxatricyclo[6.2.1.0^2,7^]undeca-5,9- dien-3-yl ester","","- C15 H16 Cl3 N O5 -","- C15 H16 Cl3 N O5 -","- C60 H64 Cl12 N4 O20 -","4","1","","Gromov, Alexey; Enev, Valentin; Mulzer, Johann","A desymmetrization approach toward highly oxygenated cis-decalins.","Organic letters","2009","11","13","2884","2886","10.1021/ol900834c","","","0.71073","MoKα","","0.0304","0.0276","","","0.0758","0.0779","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503963","6.9194","0.0002","7.8312","0.0002","30.9251","0.0009","90","","90","","90","","1675.74","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1aR,2R,3R,3aS,7aR,7bS)-3-(4-Methoxy-benzyloxy)-2- methoxymethyl-1a,3,3a,7,7a,7b-hexahydro-2H-1-oxa- cyclopropa[a]naphthalen-4-one","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Gromov, Alexey; Enev, Valentin; Mulzer, Johann","A desymmetrization approach toward highly oxygenated cis-decalins.","Organic letters","2009","11","13","2884","2886","10.1021/ol900834c","","","0.71073","MoKα","","0.0339","0.031","","","0.081","0.083","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503965","9.7999","0.0001","10.2406","0.0001","11.7764","0.0002","90","","90","","90","","1181.84","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Zoute, Ludivine; Kociok-Köhn, Gabriele; Frost, Christopher G.","Rhodium-catalyzed 1,4-additions to enantiopure acceptors: asymmetric synthesis of functionalized pyrrolizidinones.","Organic letters","2009","11","12","2491","2494","10.1021/ol900843a","","","0.71073","MoKα","","0.0363","0.0329","","","0.0854","0.0878","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503967","9.5509","0.0002","11.1823","0.0003","20.0306","0.0003","90","","90","","90","","2139.29","0.08","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-Arboricine","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C96 H120 N8 O12 -","4","1","","Wanner, Martin J.; Boots, Rowan N. A.; Eradus, Bram; de Gelder, René; van Maarseveen, Jan H.; Hiemstra, Henk","Organocatalytic enantioselective total synthesis of (-)-arboricine.","Organic letters","2009","11","12","2579","2581","10.1021/ol900888e","","","1.54184","CuKα","","0.0286","0.0277","","0.0711","0.0703","0.0711","","","1.062","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503972","7.711","0.0005","10.5025","0.0007","20.8344","0.0014","90","","90","","90","","1687.27","0.19","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","","Majetich, George; Grove, Jeremy L.","Total synthesis of (+)-19-deoxyicetexone, (-)-icetexone, and (+)-5-epi-icetexone.","Organic letters","2009","11","13","2904","2907","10.1021/ol9009128","","","0.71073","MoKα","","0.0544","0.0482","","","0.1411","0.1481","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503973","7.747","0.003","10.338","0.004","20.948","0.009","90","","90","","90","","1677.7","1.2","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Majetich, George; Grove, Jeremy L.","Total synthesis of (+)-19-deoxyicetexone, (-)-icetexone, and (+)-5-epi-icetexone.","Organic letters","2009","11","13","2904","2907","10.1021/ol9009128","","","0.71073","MoKα","","0.1035","0.0462","","","0.1112","0.1437","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503977","8.0696","0.0002","11.8879","0.0002","22.2809","0.0004","90","","90","","90","","2137.42","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-[4-Phenyl-3-(toluene-4-sulfonyl)-3,4-dihydro-benzo[e][1,3] thiazin-2-ylidene]-acetic acid methyl ester","","- C24 H21 N O4 S2 -","- C24 H21 N O4 S2 -","- C96 H84 N4 O16 S8 -","4","1","","Spitz, Cédric; Lohier, Jean-François; Reboul, Vincent; Metzner, Patrick","Catalytic generation of cesium acetylide by CsF: synthesis of 1,3-benzothiazines from cyclic sulfenamides.","Organic letters","2009","11","13","2776","2779","10.1021/ol9009333","","","0.71073","MoKα","","0.0423","0.0347","","","0.0898","0.0981","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503982","6.93904","0.00015","8.06968","0.00017","10.42331","0.00018","90","","90","","90","","583.66","0.02","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O2 -","- C5 H10 N2 O2 -","- C20 H40 N8 O8 -","4","1","","Sharma, Rojita; Bulger, Paul G.; McNevin, Michael; Dormer, Peter G.; Ball, Richard G.; Streckfuss, Eric; Cuff, James F.; Yin, Jingjun; Chen, Cheng-yi","A cascade approach to cyclic aminonitrones: reaction discovery, mechanism, and scope.","Organic letters","2009","11","15","3194","3197","10.1021/ol9010147","","","1.5418","CuKα","","","0.026","","","0.07","0.07","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503990","7.4009","0.0004","9.1172","0.0004","26.7217","0.0013","90","","90","","90","","1803.06","0.15","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0348","0.0292","","","0.0745","0.0784","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503997","11.528","0.002","16.331","0.003","16.484","0.003","90","","90","","90","","3103.3","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H35 Cl O11 -","- C33 H35 Cl O11 -","- C132 H140 Cl4 O44 -","4","1","","Liu, Ling; Li, Yan; Liu, Shuchun; Zheng, Zhihui; Chen, Xulin; Zhang, Hua; Guo, Liangdong; Che, Yongsheng","Chloropestolide A, an antitumor metabolite with an unprecedented spiroketal skeleton from Pestalotiopsis fici.","Organic letters","2009","11","13","2836","2839","10.1021/ol901039m","","","0.71073","MoKα","","0.0663","0.0556","","","0.108","0.1131","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504003","9.5718","0.0014","12.1385","0.0018","14.436","0.002","90","","90","","90","","1677.3","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Br O3 -","- C17 H19 Br O3 -","- C68 H76 Br4 O12 -","4","1","","Liu, Yan-kai; Ma, Chao; Jiang, Kun; Liu, Tian-Yu; Chen, Ying-Chun","Asymmetric tandem Michael addition-Wittig reaction to cyclohexenone annulation.","Organic letters","2009","11","13","2848","2851","10.1021/ol9010568","","","0.71073","MoKα","","0.0322","0.0269","","","0.0343","0.0352","","","","","","0.982","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504005","9.43737","0.0001","16.8839","0.0003","5.68402","0.0001","90","","90","","90","","905.69","0.02","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","T-FT","2-(thiophen-2-yl)thieno[3,2-b]furan","","- C10 H6 O S2 -","- C10 H6 O S2 -","- C40 H24 O4 S8 -","4","1","","Henssler, John T.; Matzger, Adam J.","Facile and scalable synthesis of the fused-ring heterocycles thieno[3,2-b]thiophene and thieno[3,2-b]furan.","Organic letters","2009","11","14","3144","3147","10.1021/ol9010745","","","1.54187","CuKα","","0.0496","0.0491","","","0.132","0.1325","","","","","","1.16","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504011","6.2529","0.0003","8.6287","0.0003","18.3445","0.0007","90","","90","","90","","989.77","0.07","200","2","200","2","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Duplessis, Martin; Waltz, Marie-Eve; Bencheqroun, Mohammed; Cardinal-David, Benoit; Guindon, Yvan","Stereoselective quaternary center construction via atom-transfer radical cyclization using silicon tethers on acyclic precursors.","Organic letters","2009","11","14","3148","3151","10.1021/ol901126y","","","1.54178","CuKα","","0.06","0.0365","","","0.0645","0.0697","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504015","9.951","0.002","10.141","0.002","22.1","0.005","90","","90","","90","","2230.2","0.8","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br N2 O4 S -","- C23 H21 Br N2 O4 S -","- C92 H84 Br4 N8 O16 S4 -","4","1","","Wang, Xiao; Chen, Yong-Fei; Niu, Liang-Feng; Xu, Peng-Fei","Diastereo- and enantioselective Aza-MBH-type reaction of nitroalkenes to N-tosylimines catalyzed by bifunctional organocatalysts.","Organic letters","2009","11","15","3310","3313","10.1021/ol9011458","","","0.71073","MoKα","","0.0749","0.0363","","","0.0604","0.0686","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504027","7.8567","0.0004","11.2624","0.0006","14.7834","0.0009","90","","90","","90","","1308.11","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Castaldi, M. Paola; Troast, Dawn M.; Porco, Jr, John A","Stereoselective synthesis of spirocyclic oxindoles via Prins cyclizations.","Organic letters","2009","11","15","3362","3365","10.1021/ol901201k","","","0.71073","MoKα","","0.0498","0.0427","","","0.1079","0.1115","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504030","7.6811","0.0004","8.0373","0.0004","20.7516","0.0012","90","","90","","90","","1281.11","0.12","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Zhang, Yun; Panek, James S.","Stereocontrolled synthesis of spirooxindoles through Lewis acid-promoted [5 + 2]-annulation of chiral silyl alcohols.","Organic letters","2009","11","15","3366","3369","10.1021/ol901202t","","","0.71073","MoKα","","0.0416","0.0365","","","0.0928","0.0964","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504032","9.0322","0.0004","10.4795","0.0007","29.1191","0.0015","90","","90","","90","","2756.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Br N O2 -","- C15 H16 Br N O2 -","- C120 H128 Br8 N8 O16 -","8","2","","Zhang, Yun; Panek, James S.","Stereocontrolled synthesis of spirooxindoles through Lewis acid-promoted [5 + 2]-annulation of chiral silyl alcohols.","Organic letters","2009","11","15","3366","3369","10.1021/ol901202t","","","0.71073","MoKα","","0.0738","0.0404","","","0.0707","0.0797","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504033","6.7633","0.0002","10.5401","0.0004","24.4877","0.0009","90","","90","","90","","1745.63","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Zhang, Yun; Panek, James S.","Stereocontrolled synthesis of spirooxindoles through Lewis acid-promoted [5 + 2]-annulation of chiral silyl alcohols.","Organic letters","2009","11","15","3366","3369","10.1021/ol901202t","","","0.71073","MoKα","","0.0477","0.0396","","","0.0944","0.0982","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504041","9.7307","0.0006","10.9784","0.0006","33.3226","0.0017","90","","90","","90","","3559.8","0.3","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H40 Fe N2 O P2 -","- C41 H38 Fe N2 O P2 -","- C164 H152 Fe4 N8 O4 P8 -","4","1","","Wang, Dao-Yong; Hu, Xiang-Ping; Hou, Chuan-Jin; Deng, Jun; Yu, Sai-Bo; Duan, Zheng-Chao; Huang, Jia-Di; Zheng, Zhuo","Enantioselective Rh-catalyzed hydrogenation of 3-aryl-2-phosphonomethylpropenoates by a new class of chiral ferrocenyl diphosphine ligands.","Organic letters","2009","11","15","3226","3229","10.1021/ol9012469","","","0.71073","MoKα","","0.0496","0.0372","","","0.0788","0.084","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504044","6.3632","0.0016","11.501","0.003","16.661","0.004","90","","90","","90","","1219.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(3S,4S,5S)-3-(4-Nitro)benzoyloxy-4,5-epoxycyclohex-1-ene","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Tan, Qitao; Hayashi, Masahiko","Asymmetric desymmetrization of 4,5-epoxycyclohex-1-ene by enantioselective allylic oxidation.","Organic letters","2009","11","15","3314","3317","10.1021/ol901284v","","","0.71073","MoKα","","0.1012","0.0397","","","0.0737","0.0917","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504047","6.252","0.003","14.188","0.007","18.445","0.009","90","","90","","90","","1636.1","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H29 N O3 S -","- C13 H29 N O3 S -","- C52 H116 N4 O12 S4 -","4","1","","Wang, Bing; Wang, Yong-Jun","SmI2-promoted intramolecular asymmetric pinacol-type ketone-tert-butanesulfinyl imine reductive coupling: stereoselectivity and mechanism.","Organic letters","2009","11","15","3410","3413","10.1021/ol901296u","","","0.71073","MoKα","","0.0485","0.0387","","","0.0924","0.0974","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504048","6.51","0.004","14.258","0.009","18.556","0.012","90","","90","","90","","1722.4","1.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H31 N O3 S -","- C14 H31 N O3 S -","- C56 H124 N4 O12 S4 -","4","1","","Wang, Bing; Wang, Yong-Jun","SmI2-promoted intramolecular asymmetric pinacol-type ketone-tert-butanesulfinyl imine reductive coupling: stereoselectivity and mechanism.","Organic letters","2009","11","15","3410","3413","10.1021/ol901296u","","","0.71073","MoKα","","0.0664","0.0508","","","0.1135","0.1211","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504053","7.277","0.0015","12.449","0.003","15.738","0.003","90","","90","","90","","1425.7","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 Cl Ir N2 -","- C13 H22 Cl Ir N2 -","- C52 H88 Cl4 Ir4 N8 -","4","1","","Snead, David R.; Ghiviriga, Ion; Abboud, Khalil A.; Hong, Sukwon","A new route to acyclic diaminocarbenes via lithium-halogen exchange.","Organic letters","2009","11","15","3274","3277","10.1021/ol9013156","","","0.71073","MoKα","","0.032","0.0296","","","0.0652","0.0659","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504054","6.195","0.0007","7.802","0.0008","35.452","0.004","90","","90","","90","","1713.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Br N O -","- C22 H16 Br N O -","- C88 H64 Br4 N4 O4 -","4","1","","Li, Yi; Shi, Fu-Qiang; He, Qing-Li; You, Shu-Li","N-heterocyclic carbene-catalyzed cross-coupling of aldehydes with arylsulfonyl indoles.","Organic letters","2009","11","15","3182","3185","10.1021/ol9013238","","","0.71073","MoKα","","0.0572","0.038","","","0.0671","0.0703","","","","","","0.839","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504066","7.6034","0.0003","12.7414","0.0005","13.9945","0.0005","90","","90","","90","","1355.76","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Li, Cheng; Li, Xinyu; Hong, Ran","Synthetic study on tetrapetalones: stereoselective cyclization of N-acyliminium ion to construct substituted 1-benzazepines.","Organic letters","2009","11","18","4036","4039","10.1021/ol901349b","","","0.71073","MoKα","","0.0324","0.0301","","","0.0753","0.0769","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504067","6.5177","0.0001","15.986","0.0003","18.6727","0.0003","90","","90","","90","","1945.55","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Concellón, José M; Tuya, Paula; del Solar, Virginia; García-Granda, Santiago; Díaz, M Rosario","Efficient and highly selective synthesis of enantiopure cis- or trans-3,4-disubstituted 1,2,3,4-tetrahydroisoquinolines.","Organic letters","2009","11","16","3750","3753","10.1021/ol901388e","","","1.5418","CuKα","","0.0342","0.0303","","","0.0787","0.082","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504070","17.639","0.002","16.204","0.002","16.203","0.002","90","","90","","90","","4631.2","1","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 F6 Mn N4 O6 S2 -","- C42 H40 F6 Mn N4 O6 S2 -","- C168 H160 F24 Mn4 N16 O24 S8 -","4","1","","Wu, Mei; Wang, Bin; Wang, Shoufeng; Xia, Chungu; Sun, Wei","Asymmetric epoxidation of olefins with chiral bioinspired manganese complexes.","Organic letters","2009","11","16","3622","3625","10.1021/ol901400m","","","0.71073","MoKα","","0.1773","0.098","","","0.2181","0.2385","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504074","10.4248","0.0011","11.0694","0.0012","20.658","0.002","90","","90","","90","","2383.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H24 O -","- C33 H24 O -","- C132 H96 O4 -","4","1","","Chen, Yifeng; Lu, Yuhua; Li, Guijie; Liu, Yuanhong","Gold-catalyzed cascade Friedel-Crafts/furan-alkyne cycloisomerizations for the highly efficient synthesis of arylated (Z)-enones or -enals.","Organic letters","2009","11","17","3838","3841","10.1021/ol901408u","","","0.71073","MoKα","","0.0591","0.0415","","","0.0938","0.1003","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504102","10.0514","0.0003","10.6807","0.0003","17.5467","0.0005","90","","90","","90","","1883.74","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Eisch, John J.; Manchanayakage, Renuka N.; Rheingold, Arnold L.","Attempted generation of the potentially aromatic 6,7-diphenyldibenzo[e,g][1,4]diazocine dianion leads with profound rearrangement to the isomeric n-(2-amino-1,2-diphenylethenyl)carbazole dianions.","Organic letters","2009","11","18","4060","4063","10.1021/ol901503s","","","1.54178","CuKα","","0.0353","0.032","","","0.0799","0.0824","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504108","9.3504","0.0012","18.666","0.002","20.153","0.003","90","","90","","90","","3517.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 N2 O13 -","- C30 H48 N2 O13 -","- C120 H192 N8 O52 -","4","1","","Gao, Zheng-Xi; Wang, Meng; Wang, Shaozhong; Yao, Zhu-Jun","Efficient synthesis of 4-amido-N(5)-acetyl-4-deoxyneuraminic acid and its application to the C-4 modification of sialic acids.","Organic letters","2009","11","16","3678","3681","10.1021/ol901511x","","","0.71073","MoKα","","0.1417","0.064","","","0.1432","0.1651","","","","","","0.812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504127","5.2032","0.0002","12.4052","0.0004","20.7454","0.0007","90","","90","","90","","1339.05","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O2 -","- C15 H15 Cl O2 -","- C60 H60 Cl4 O8 -","4","1","","Marqués-López, Eugenia; Herrera, Raquel P.; Marks, Timo; Jacobs, Wiebke C.; Könning, Daniel; de Figueiredo, Renata M.; Christmann, Mathias","Crossed intramolecular Rauhut-Currier-type reactions via dienamine activation.","Organic letters","2009","11","18","4116","4119","10.1021/ol901614t","","","0.71073","MoKα","","0.0425","0.0281","","","0.0584","0.0599","","","","","","0.922","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504134","6.2776","0.0001","8.4084","0.0002","12.6034","0.0003","90","","90","","90","","665.27","0.02","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cl O3 -","- C6 H7 Cl O3 -","- C24 H28 Cl4 O12 -","4","1","","Pinkerton, David M.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic access to versatile epoxyquinol synthons.","Organic letters","2009","11","19","4290","4293","10.1021/ol9016657","","","0.71073","MoKα","","0.0264","0.0244","","0.0514","0.0494","0.0514","","","","","","0.9564","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504135","6.4569","0.0002","8.5563","0.0003","12.5272","0.0004","90","","90","","90","","692.09","0.04","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Br O3 -","- C6 H7 Br O3 -","- C24 H28 Br4 O12 -","4","1","","Pinkerton, David M.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic access to versatile epoxyquinol synthons.","Organic letters","2009","11","19","4290","4293","10.1021/ol9016657","","","0.71073","MoKα","","0.0238","0.0211","","0.0319","0.0309","0.0319","","","","","","1.0812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504136","6.8869","0.0002","8.8262","0.0003","12.2911","0.0005","90","","90","","90","","747.12","0.05","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 I O3 -","- C6 H7 I O3 -","- C24 H28 I4 O12 -","4","1","","Pinkerton, David M.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic access to versatile epoxyquinol synthons.","Organic letters","2009","11","19","4290","4293","10.1021/ol9016657","","","0.71073","MoKα","","0.0236","0.0197","","0.0375","0.0356","0.0375","","","","","","0.9681","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504137","6.2109","0.0006","15.5608","0.0013","21.4507","0.0018","90","","90","","90","","2073.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O4 -","- C25 H25 N O4 -","- C100 H100 N4 O16 -","4","1","","Nibbs, Antoinette E.; Baize, Amanda-Lauren; Herter, Rachel M.; Scheidt, Karl A.","Catalytic asymmetric alkylation of substituted isoflavanones.","Organic letters","2009","11","17","4010","4013","10.1021/ol901676f","","","1.54178","CuKα","","0.1792","0.0568","","","0.0932","0.1198","","","","","","0.765","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504163","5.7231","0.0001","12.9531","0.0002","20.0245","0.0003","90","","90","","90","","1484.45","0.04","90","1","90","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","Gregg, Timothy M.; Farrugia, Mark K.; Frost, John R.","Rhodium-mediated enantioselective cyclopropanation of allenes.","Organic letters","2009","11","19","4434","4436","10.1021/ol9017968","","x-ray","0.71073","MoKα","","0.0153","0.0147","","","0.0391","0.0392","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504177","5.7776","0.0007","16.337","0.002","20.021","0.003","90","","90","","90","","1889.8","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09105a","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","1","","Li, Hongyan; Hsung, Richard P.","Highly substituted 2-amido-furans from Rh(II)-catalyzed cyclopropenations of ynamides.","Organic letters","2009","11","19","4462","4465","10.1021/ol901860b","","","0.71073","MoKα","","0.0547","0.0346","","","0.0766","0.0872","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504182","9.268","0.003","13.934","0.005","19.073","0.006","90","","90","","90","","2463.1","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl N2 O7 -","- C24 H36 Cl N2 O7 -","- C96 H144 Cl4 N8 O28 -","4","1","","Feng, Tao; Cai, Xiang-Hai; Li, Yan; Wang, Yuan-Yuan; Liu, Ya-Ping; Xie, Ming-Jin; Luo, Xiao-Dong","Melohenines A and B, two unprecedented alkaloids from Melodinus henryi","Organic Letters","2009","11","21","4834","4837","10.1021/ol9018826","","","0.71073","MoKα","","0.2274","0.0817","","","0.1638","0.2339","","","","","","0.973","","","","has coordinates","218689","2020-10-21","18:00:00",""
"1504183","7.9717","0.0012","12.2181","0.0018","17.265","0.003","90","","90","","90","","1681.6","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Feng, Tao; Cai, Xiang-Hai; Li, Yan; Wang, Yuan-Yuan; Liu, Ya-Ping; Xie, Ming-Jin; Luo, Xiao-Dong","Melohenines A and B, two unprecedented alkaloids from Melodinus henryi","Organic Letters","2009","11","21","4834","4837","10.1021/ol9018826","","","0.71073","MoKα","","0.09","0.0489","","","0.1207","0.1529","","","","","","0.75","","","","has coordinates","218689","2020-10-21","18:00:00",""
"1504186","7.8053","0.0004","9.4883","0.0005","18.9039","0.0009","90","","90","","90","","1400","0.12","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0496","0.0417","","","0.1019","0.1066","","","","","","1.037","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504188","9.597","0.0005","9.9935","0.0005","14.1873","0.0008","90","","90","","90","","1360.67","0.12","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0549","0.0379","","","0.0784","0.084","","","","","","0.928","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504189","7.7249","0.0001","9.6338","0.0002","22.5067","0.0004","90","","90","","90","","1674.95","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0369","0.0333","","","0.0854","0.0881","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504190","7.7635","0.0001","9.7864","0.0002","21.0195","0.0004","90","","90","","90","","1596.99","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.033","0.0318","","","0.0818","0.0829","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504191","6.1894","0.0001","8.9465","0.0002","28.8255","0.0005","90","","90","","90","","1596.17","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.037","0.0359","","","0.093","0.094","","","","","","1.066","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504192","8.2864","0.0002","10.0771","0.0002","17.1744","0.0003","90","","90","","90","","1434.11","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0373","0.037","","","0.0903","0.0907","","","","","","1.091","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504193","11.0321","0.0002","11.6526","0.0003","11.9913","0.0004","90","","90","","90","","1541.51","0.07","175","","175","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0381","0.036","","","0.0945","0.0965","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504197","9.355","0.001","11.918","0.001","17.31","0.002","90","","90","","90","","1929.9","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3aR,7S,7aS)-Di-tert.butyl-7-hydroxy-4-oxo-2,3,3a,4-tetrahydro-1-H- indo-1,2(7H,7aH)-dicarboxylat","","- C18 H27 N O6 -","- C18 H27 N O6 -","- C72 H108 N4 O24 -","4","1","","Gross, Ulrike; Nieger, Martin; Bräse, Stefan","Stereoselective synthesis of the epicoccin core.","Organic letters","2009","11","20","4740","4742","10.1021/ol901919c","","","0.71073","MoKα","","0.0453","0.0382","","","0.0866","0.0905","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504200","8.1737","0.0007","10.9997","0.0008","29.222","0.002","90","","90","","90","","2627.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N O11 -","- C22 H35 N O11 -","- C88 H140 N4 O44 -","4","1","","Balthaser, Bradley R.; McDonald, Frank E.","Brønsted acid-promoted glycosylations of disaccharide glycal substructures of the saccharomicins.","Organic letters","2009","11","21","4850","4853","10.1021/ol901923x","","","1.54178","CuKα","","0.0515","0.0404","","","0.0995","0.1071","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504213","10.0245","0.0006","12.5364","0.0008","17.6378","0.0011","90","","90","","90","","2216.6","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O10 -","- C21 H28 O10 -","- C84 H112 O40 -","4","1","","Afarinkia, Kamyar; Abdullahi, Mohamed Haji; Scowen, Ian J.","A new, general method for the synthesis of carbasugar-sugar pseudodisaccharides.","Organic letters","2009","11","22","5182","5184","10.1021/ol901960y","","","0.71073","MoKα","","0.0626","0.0437","","","0.1004","0.1095","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504214","6.5381","0.0009","13.0869","0.0016","28.301","0.003","90","","90","","90","","2421.5","0.5","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 O5 Si -","- C25 H40 O5 Si -","- C100 H160 O20 Si4 -","4","1","","Krawczuk, Paul J.; Schöne, Niklas; Baran, Phil S.","A synthesis of the carbon skeleton of maoecrystal V.","Organic letters","2009","11","21","4774","4776","10.1021/ol901963v","","","1.54178","CuKα","","0.1147","0.0957","","","0.249","0.2631","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504224","22.7128","0.0017","8.0293","0.0005","8.0067","0.0005","90","","90","","90","","1460.16","0.17","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C60 H76 N4 O16 S4 -","4","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.1239","0.0591","","","0.1251","0.1596","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504228","8.0984","0.0002","13.6158","0.0003","19.1081","0.0006","90","","90","","90","","2106.98","0.1","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O4 S -","- C23 H29 N O4 S -","- C92 H116 N4 O16 S4 -","4","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0677","0.0439","","","0.1009","0.1151","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504230","7.76","0.0003","8.8993","0.0003","27.238","0.001","90","","90","","90","","1881.02","0.12","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0865","0.0494","","","0.1002","0.1165","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504231","7.144","0.0003","11.902","0.0002","30.0352","0.0012","90","","90","","90","","2553.83","0.15","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 Cl N2 O4 S -","- C26 H37 Cl N2 O4 S -","- C104 H148 Cl4 N8 O16 S4 -","4","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0703","0.0452","","","0.0976","0.1098","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504232","7.1052","0.0002","11.8008","0.0003","28.9702","0.0007","90","","90","","90","","2429.07","0.11","150","1","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl N2 O4 S -","- C26 H31 Cl N2 O4 S -","- C104 H124 Cl4 N8 O16 S4 -","4","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0502","0.039","","","0.0915","0.0969","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504242","12.5109","0.0004","15.341","0.0005","17.9478","0.0006","90","","90","","90","","3444.72","0.19","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl2 N O -","- C20 H17 Cl2 N O -","- C160 H136 Cl16 N8 O8 -","8","2","","Oinen, Mark Emil; Yu, Robert T.; Rovis, Tomislav","Excess substrate is a spectator ligand in a rhodium-catalyzed asymmetric [2 + 2 + 2] cycloaddition of alkenyl isocyanates with tolanes.","Organic letters","2009","11","21","4934","4937","10.1021/ol9020805","","","0.71073","MoKα","","0.0897","0.0501","","","0.1001","0.1157","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504244","6.0566","0.0005","11.2097","0.0009","30.664","0.002","90","","90","","90","","2081.9","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O4 S2 -","- C23 H21 N O4 S2 -","- C92 H84 N4 O16 S8 -","4","1","","Moreno-Clavijo, Elena; Carmona, Ana T.; Reissig, Hans-Ulrich; Moreno-Vargas, Antonio J; Alvarez, Eleuterio; Robina, Inmaculada","Allenyl sulfones and allenyl sulfides in the synthesis of 3-pyrrolines. A novel nucleophilic [3 + 2] cycloaddition on allenyl sulfones giving rearranged cycloadducts.","Organic letters","2009","11","21","4778","4781","10.1021/ol902097d","","","0.71073","MoKα","","0.1243","0.06","","","0.11","0.1303","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504245","5.9508","0.0014","11.729","0.002","31.384","0.006","90","","90","","90","","2190.5","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O5 S2 -","- C24 H23 N O5 S2 -","- C96 H92 N4 O20 S8 -","4","1","","Moreno-Clavijo, Elena; Carmona, Ana T.; Reissig, Hans-Ulrich; Moreno-Vargas, Antonio J; Alvarez, Eleuterio; Robina, Inmaculada","Allenyl sulfones and allenyl sulfides in the synthesis of 3-pyrrolines. A novel nucleophilic [3 + 2] cycloaddition on allenyl sulfones giving rearranged cycloadducts.","Organic letters","2009","11","21","4778","4781","10.1021/ol902097d","","","0.71073","MoKα","","0.0837","0.0585","","","0.1225","0.1626","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504249","11.422","0.003","16.075","0.004","17.832","0.005","90","","90","","90","","3274.1","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Cl2 Cu N9 O8 -","- C30 H27 Cl2 Cu N9 O8 -","- C120 H108 Cl8 Cu4 N36 O32 -","4","1","","Brotherton, Wendy S.; Michaels, Heather A.; Simmons, J. Tyler; Clark, Ronald J.; Dalal, Naresh S.; Zhu, Lei","Apparent copper(II)-accelerated azide-alkyne cycloaddition.","Organic letters","2009","11","21","4954","4957","10.1021/ol9021113","","","0.71073","MoKα","","0.0283","0.0259","","","0.0581","0.0591","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504265","5.8261","0.0004","11.6473","0.0007","28.0478","0.0017","90","","90","","90","","1903.3","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C84 H80 Br4 N4 O16 -","4","1","","Hong, Bor-Cherng; Jan, Rei-Hau; Tsai, Chih-Wei; Nimje, Roshan Y.; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic enantioselective cascade Michael-Michael-Wittig reactions of phosphorus ylides: one-pot synthesis of the all-cis trisubstituted cyclohexenecarboxylates via the [1 + 2 + 3] annulation.","Organic letters","2009","11","22","5246","5249","10.1021/ol9021832","","","0.71073","MoKα","","0.0465","0.0414","","","0.0935","0.0958","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504270","10.9019","0.0009","13.4448","0.0011","18.6462","0.0016","90","","90","","90","","2733","0.4","150","1","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24.26 Cl2.74 F N2 Ni O4 -","- C27 H24.261 Cl2.739 F N2 Ni O4 -","- C108 H97.044 Cl10.956 F4 N8 Ni4 O16 -","4","1","","Kim, Hyunwoo; Chin, Jik","Stereospecific synthesis of alpha-substituted syn-alpha,beta-diamino acids by the diaza-Cope rearrangement.","Organic letters","2009","11","22","5258","5260","10.1021/ol9021904","","","0.71073","MoKα","","0.1221","0.0718","","","0.1655","0.1961","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504272","13.662","0.0003","20.5772","0.0004","24.4019","0.0004","90","","90","","90","","6860","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(<i>cR</i>)-11,17,23-tri-tert-butyl-5-((<i>S</i>)-4-isopropyl-4,5-dihydrooxazol-2-yl)-4-diphenylphosphoryl- 25,26,27,28-tetrapropoxycalix[4]arene","","","- C73 H98 Cl2 N O7 P -","- C73 H98 Cl2 N O7 P -","- C292 H392 Cl8 N4 O28 P4 -","4","1","","Herbert, Simon A.; Arnott, Gareth E.","An asymmetric ortholithiation approach to inherently chiral calix[4]arenes.","Organic letters","2009","11","21","4986","4989","10.1021/ol902238p","","","0.71073","MoKα","","0.076","0.0548","","","0.1293","0.1423","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504277","4.9426","0.0001","12.8163","0.0004","23.5105","0.0006","90","","90","","90","","1489.29","0.07","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 I N O3 -","- C15 H16 I N O3 -","- C60 H64 I4 N4 O12 -","4","1","","Pal, Ujjwal; Ranatunga, Sujeewa; Ariyarathna, Yamuna; Del Valle, Juan R.","Total synthesis of the putative structure of lucentamycin A.","Organic letters","2009","11","22","5298","5301","10.1021/ol902251c","","","0.71073","MoKα","","0.0354","0.0249","","","0.0419","0.0446","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504286","9.3413","0.0003","10.0343","0.0002","16.9972","0.0004","90","","90","","90","","1593.21","0.07","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Gharpure, Santosh J.; Shukla, Manoj K.; Vijayasree, U.","Stereoselective synthesis of donor-acceptor substituted cyclopropafuranones by intramolecular cyclopropanation of vinylogous carbonates: divergent synthesis of tetrahydrofuran-3-one, tetrahydropyran-3-one, and lactones.","Organic letters","2009","11","23","5466","5469","10.1021/ol902301h","","","0.71073","MoKα","","0.0655","0.0426","","","0.1145","0.1365","","","","","","0.766","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504287","6.1758","0.0004","9.0571","0.0008","12.9827","0.001","90","","90","","90","","726.19","0.1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 O4 -","- C7 H8 O4 -","- C28 H32 O16 -","4","1","","Gharpure, Santosh J.; Shukla, Manoj K.; Vijayasree, U.","Stereoselective synthesis of donor-acceptor substituted cyclopropafuranones by intramolecular cyclopropanation of vinylogous carbonates: divergent synthesis of tetrahydrofuran-3-one, tetrahydropyran-3-one, and lactones.","Organic letters","2009","11","23","5466","5469","10.1021/ol902301h","","","0.71073","MoKα","","0.0988","0.0472","","","0.1155","0.148","","","","","","0.838","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504294","7.621","0.0015","8.393","0.0017","22.728","0.005","90","","90","","90","","1453.8","0.5","301","2","301","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N O -","- C18 H14 Cl N O -","- C72 H56 Cl4 N4 O4 -","4","1","","He, Wei; Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan","Pd(II)/(t)Bu-quinolineoxazoline: an air-stable and modular chiral catalyst system for enantioselective oxidative cascade cyclization.","Organic letters","2009","11","24","5626","5628","10.1021/ol902348t","","","0.71073","MoKα","","0.0469","0.0309","","","0.0836","0.095","","","","","","0.72","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504302","10.2195","0.0005","13.6892","0.0007","23.5232","0.0011","90","","90","","90","","3290.8","0.3","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 Br Cl3 N O Si -","- C32 H43 Br Cl3 N O Si -","- C128 H172 Br4 Cl12 N4 O4 Si4 -","4","1","","Dunn, Travis B.; Ellis, J. Michael; Kofink, Christiane C.; Manning, James R.; Overman, Larry E.","Asymmetric construction of rings A-D of daphnicyclidin-type alkaloids.","Organic letters","2009","11","24","5658","5661","10.1021/ol902373m","","","0.71073","MoKα","","0.0229","0.0218","","","0.0529","0.0533","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1504304","6.2054","0.0001","10.304","0.0002","21.8082","0.0006","90","","90","","90","","1394.43","0.05","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Presset, Marc; Coquerel, Yoann; Rodriguez, Jean","Microwave-assisted domino and multicomponent reactions with cyclic acylketenes: expeditious syntheses of oxazinones and oxazindiones.","Organic letters","2009","11","24","5706","5709","10.1021/ol9024056","","x-ray","0.71073","MoKα","","0.0642","0.0415","","","0.1176","0.1497","","","","","","1.189","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504306","9.5398","0.0018","10.677","0.002","30.01","0.006","90","","90","","90","","3056.7","1","153","","153","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ketone 25","","- C30 H55 N O4 Si -","- C30 H55 N O4 Si -","- C120 H220 N4 O16 Si4 -","4","1","","Nakayama, Atsushi; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","First asymmetric total syntheses of fawcettimine-type Lycopodium alkaloids, lycoposerramine-C and phlegmariurine-A.","Organic letters","2009","11","23","5554","5557","10.1021/ol902437t","","","0.71073","MoKα","","0.0372","0.0321","","","0.0799","0.0897","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504311","6.7916","0.0006","8.2807","0.0007","23.6999","0.0019","90","","90","","90","","1332.86","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl F3 O3 -","- C13 H12 Cl F3 O3 -","- C52 H48 Cl4 F12 O12 -","4","1","","Zhao, Jun-Feng; Tjan, Teguh-Budiono W; Tan, Boon-Hong; Loh, Teck-Peng","Highly enantioselective ketone-ene reactions of trifluoropyruvate: significant counterion effect of the In(III)-pybox complex.","Organic letters","2009","11","24","5714","5716","10.1021/ol902507x","","","0.71073","MoKα","","0.0538","0.0407","","","0.1175","0.1318","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504312","6.8098","0.0004","8.2633","0.0006","23.9486","0.0018","90","","90","","90","","1347.62","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br F3 O3 -","- C13 H12 Br F3 O3 -","- C52 H48 Br4 F12 O12 -","4","1","","Zhao, Jun-Feng; Tjan, Teguh-Budiono W; Tan, Boon-Hong; Loh, Teck-Peng","Highly enantioselective ketone-ene reactions of trifluoropyruvate: significant counterion effect of the In(III)-pybox complex.","Organic letters","2009","11","24","5714","5716","10.1021/ol902507x","","","0.71073","MoKα","","0.1231","0.049","","","0.09","0.1143","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504315","9.0929","0.0009","12.3452","0.0012","22.031","0.002","90","","90","","90","","2473.1","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N3 O5 S -","- C28 H25 N3 O5 S -","- C112 H100 N12 O20 S4 -","4","1","","Roy, Bhairab Nath; Singh, Girij Pal; Srivastava, Dhananjai; Jadhav, Harishchandra S.; Saini, Manmeet B.; Aher, Umesh P.","A Novel Method for Large-Scale Synthesis of Lamivudine through Cocrystal Formation of Racemic Lamivudine with (S)-(−)-1,1′-Bi(2-naphthol) [(S)-(BINOL)]","Organic Process Research & Development","2009","13","3","450","","10.1021/op800228h","","","0.71073","MoKα","","0.0321","0.0292","","","0.077","0.0798","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504318","6.0017","0.0002","12.0689","0.0003","29.9339","0.0008","90","","90","","90","","2168.23","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O7 S -","- C21 H33 N O7 S -","- C84 H132 N4 O28 S4 -","4","1","","Kopach, Michael E.; Singh, Utpal K.; Kobierski, Michael E.; Trankle, William G.; Murray, Michael M.; Pietz, Mark A.; Forst, Mindy B.; Stephenson, Gregory A.; Mancuso, Vincent; Giard, Thierry; Vanmarsenille, Michel; DeFrance, Thierry","Practical Synthesis of Chiral 2-Morpholine: (4-Benzylmorpholin-2-(S)-yl)-(tetrahydropyran-4-yl)methanone Mesylate, a Useful Pharmaceutical Intermediate","Organic Process Research & Development","2009","13","2","209","","10.1021/op800247w","","","1.54178","CuKα","","0.0781","0.0608","","","0.165","0.1737","","","","","","1.065","","","","has coordinates","198667","2020-10-21","18:00:00",""
"1504342","5.3438","0.0003","10.7546","0.0006","32.137","0.003","90","","90","","90","","1846.9","0.2","200","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Cl N2 O5 -","- C20 H15 Cl N2 O5 -","- C80 H60 Cl4 N8 O20 -","4","1","","Crosignani, Stefano; Page, Patrick; Missotten, Marc; Colovray, Véronique; Cleva, Christophe; Arrighi, Jean-François; Atherall, John; Macritchie, Jackie; Martin, Thierry; Humbert, Yves; Gaudet, Marilène; Pupowicz, Doris; Maio, Maurizio; Pittet, Pierre-André; Golzio, Lucia; Giachetti, Claudio; Rocha, Cynthia; Bernardinelli, Gérald; Filinchuk, Yaroslav; Scheer, Alexander; Schwarz, Matthias K.; Chollet, André","Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases.","Journal of medicinal chemistry","2008","51","7","2227","2243","10.1021/jm701383e","","","0.71073","MoKα","","","0.057","","","","0.056","","","","","","1.88","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504343","5.32926","0.00007","10.77905","0.00018","31.3253","0.0005","90","","90","","90","","1799.46","0.05","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Cl F N2 O5 -","- C20 H14 Cl F N2 O5 -","- C80 H56 Cl4 F4 N8 O20 -","4","1","","Crosignani, Stefano; Page, Patrick; Missotten, Marc; Colovray, Véronique; Cleva, Christophe; Arrighi, Jean-François; Atherall, John; Macritchie, Jackie; Martin, Thierry; Humbert, Yves; Gaudet, Marilène; Pupowicz, Doris; Maio, Maurizio; Pittet, Pierre-André; Golzio, Lucia; Giachetti, Claudio; Rocha, Cynthia; Bernardinelli, Gérald; Filinchuk, Yaroslav; Scheer, Alexander; Schwarz, Matthias K.; Chollet, André","Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases.","Journal of medicinal chemistry","2008","51","7","2227","2243","10.1021/jm701383e","","","0.71","synchrotron","","0.0526","0.0374","","","0.0827","0.0883","","","","","","1.138","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504360","7.639","0.006","10.518","0.008","11.3","0.009","90","","90","","90","","907.9","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Fe O -","- C11 H10 Fe O -","- C44 H40 Fe4 O4 -","4","1","","Lousada, Claudio M.; Pinto, Susana S.; Lopes, José N Canongia; da Piedade, M. Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas","Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)].","The journal of physical chemistry. A","2008","112","13","2977","2987","10.1021/jp7107818","","","0.71073","MoKα","","0.0988","0.0541","","","0.1169","0.1371","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504389","6.7999","0.0015","11.638","0.003","18.583","0.005","90","","90","","90","","1470.6","0.6","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C48 H88 O44 -","4","1","","Nagase, H.; Ogawa, N.; Endo, T.; Shiro, M.; Ueda, H.; Sakurai, M.","Crystal structure of an anhydrous form of trehalose: structure of water channels of trehalose polymorphism.","The journal of physical chemistry. B","2008","112","30","9105","9111","10.1021/jp800936z","","","1.54187","CuKα","","","0.0954","","","","0.2628","","","","","","1.24","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504390","7.5969","0.001","12.2305","0.001","17.887","0.005","90","","90","","90","","1662","0.5","298.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 O13 -","- C12 H26 O13 -","- C48 H104 O52 -","4","1","","Nagase, H.; Ogawa, N.; Endo, T.; Shiro, M.; Ueda, H.; Sakurai, M.","Crystal structure of an anhydrous form of trehalose: structure of water channels of trehalose polymorphism.","The journal of physical chemistry. B","2008","112","30","9105","9111","10.1021/jp800936z","","","1.54187","CuKα","","","0.0282","","","","0.0749","","","","","","1.076","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504411","10.1077","0.0002","12.2492","0.0004","12.9943","0.0003","90","","90","","90","","1608.84","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Au Cl P -","- C18 H15 Au Cl P -","- C72 H60 Au4 Cl4 P4 -","4","1","","Borissova, Alexandra O.; Korlyukov, Alexander A.; Antipin, Mikhail Yu; Lyssenko, Konstantin A.","Estimation of dissociation energy in donor-acceptor complex AuCl x PPh3 via topological analysis of the experimental electron density distribution function.","The journal of physical chemistry. A","2008","112","46","11519","11522","10.1021/jp807258d","","","0.71073","MoKα","","0.0315","0.023","","","0.0437","0.0463","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504417","12.127","0.005","20.474","0.006","10.506","0.004","90","","90","","90","","2608.5","1.7","113.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 N2 O6 -","- C27 H42 N2 O6 -","- C108 H168 N8 O24 -","4","1","","Katsumata, Toru; Qu, Jinqing; Shiotsuki, Masashi; Satoh, Masaharu; Wada, Jun; Igarashi, Jun; Mizoguchi, Kenji; Masuda, Toshio","Synthesis, Characterization, and Charge/Discharge Properties of Polynorbornenes Carrying 2,2,6,6-Tetramethylpiperidine-1-oxy Radicals at High Density","Macromolecules","2008","41","4","1175","","10.1021/ma7020425","","","0.71075","MoKα","","","0.0875","","","","0.1089","","","","","","1.036","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504443","7.5554","0.0011","9.0441","0.0013","22.351","0.003","90","","90","","90","","1527.3","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Fotso, Serge; Mahmud, Taifo; Zabriskie, T. Mark; Santosa, Dwi Andreas; Sulastri,; Proteau, Philip J.","Angucyclinones from an Indonesian Streptomyces sp.","Journal of natural products","2008","71","1","61","65","10.1021/np0704102","","","0.71073","MoKα","","0.0304","0.03","","","0.0816","0.0821","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504446","12.1841","0.0002","14.0401","0.0002","20.8894","0.0004","90","","90","","90","","3573.47","0.1","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C160 H240 O32 -","8","2","","Chou, Bo-Hon; Yang, Li-Ming; Chang, Shwu-Fen; Hsu, Feng-Lin; Lo, Chia-Hsin; Liaw, Jia-Horng; Liu, Pan-Chun; Lin, Shwu-Jiuan","Microbial transformation of isosteviol lactone and evaluation of the transformation products on androgen response element.","Journal of natural products","2008","71","4","602","607","10.1021/np070585b","","","0.71073","MoKα","","0.0567","0.0447","","","0.1228","0.1343","","","","","","1.037","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504447","7.127","0.0008","13.9423","0.0016","14.4961","0.0016","90","","90","","90","","1440.4","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O7 -","- C12 H20 O7 -","- C48 H80 O28 -","4","1","","Wu, Shao-Hua; Chen, You-Wei; Shao, Shi-Cheng; Wang, Li-Dong; Li, Zhi-Ying; Yang, Li-Yuan; Li, Shao-Lan; Huang, Rong","Ten-membered lactones from Phomopsis sp., an endophytic fungus of Azadirachta indica.","Journal of natural products","2008","71","4","731","734","10.1021/np070624j","","","0.71073","MoKα","","0.0889","0.0498","","","0.0905","0.1061","","","","","","1.024","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504448","7.5444","0.0007","9.8302","0.0009","16.6997","0.0015","90","","90","","90","","1238.5","0.2","571","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O6 -","- C12 H16 O6 -","- C48 H64 O24 -","4","1","","Wu, Shao-Hua; Chen, You-Wei; Shao, Shi-Cheng; Wang, Li-Dong; Li, Zhi-Ying; Yang, Li-Yuan; Li, Shao-Lan; Huang, Rong","Ten-membered lactones from Phomopsis sp., an endophytic fungus of Azadirachta indica.","Journal of natural products","2008","71","4","731","734","10.1021/np070624j","","","0.71073","MoKα","","0.044","0.0365","","","0.0832","0.0879","","","","","","1.024","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504449","7.8919","0.0004","12.0853","0.0009","43.592","0.003","90","","90","","90","","4157.6","0.5","298","","","","","","","","","","Phyllanthus acutissima","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H53 Br O9 -","- C47 H53 Br O9 -","- C188 H212 Br4 O36 -","4","1","","Tuchinda, Patoomratana; Kornsakulkarn, Jittra; Pohmakotr, Manat; Kongsaeree, Palangpon; Prabpai, Samran; Yoosook, Chalobon; Kasisit, Jitra; Napaswad, Chanita; Sophasan, Samaisukh; Reutrakul, Vichai","Dichapetalin-type triterpenoids and lignans from the aerial parts of Phyllanthus acutissima.","Journal of natural products","2008","71","4","655","663","10.1021/np7007347","","","0.71073","MoKα","","0.0585","0.0476","","","0.1106","0.1183","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504451","6.465","0.002","10.184","0.004","25.525","0.009","90","","90","","90","","1680.6","1","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O6 -","- C16 H24 O6 -","- C64 H96 O24 -","4","1","","Li, Erwei; Tian, Renrong; Liu, Shuchun; Chen, Xulin; Guo, Liangdong; Che, Yongsheng","Pestalotheols A-D, bioactive metabolites from the plant endophytic fungus Pestalotiopsis theae.","Journal of natural products","2008","71","4","664","668","10.1021/np700744t","","","0.71073","MoKα","","0.1042","0.0524","","","0.1156","0.1339","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504452","6.415","0.003","19.316","0.007","26.196","0.008","90","","90","","90","","3246","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H45 N O5 -","- C37 H45 N O5 -","- C148 H180 N4 O20 -","4","1","","Yang, Cheng-Hui; Cheng, Ming-Jen; Chiang, Michael Y.; Kuo, Yueh-Hsiung; Wang, Chyi-Jia; Chen, Ih-Sheng","Dihydrobenzo[c]phenanthridine alkaloids from stem bark of Zanthoxylum nitidum.","Journal of natural products","2008","71","4","669","673","10.1021/np700745f","","","0.71073","MoKα","","0.0832","0.0426","","","0.1003","0.116","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504456","9.801","0.004","11.207","0.004","26.272","0.01","90","","90","","90","","2885.7","1.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 Br O5 -","- C32 H39 Br O5 -","- C128 H156 Br4 O20 -","4","1","","Du, Lin; Zhu, Tianjiao; Fang, Yuchun; Gu, Qianqun; Zhu, Weiming","Unusual C25 steroid isomers with bicyclo[4.4.1]A/B rings from a volcano ash-derived fungus Penicillium citrinum.","Journal of natural products","2008","71","8","1343","1351","10.1021/np8000442","","","0.71073","MoKα","","0.1059","0.0428","","","0.0724","0.0806","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504457","9.772","0.004","11.108","0.005","26.28","0.011","90","","90","","90","","2853","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 Br O5 -","- C32 H39 Br O5 -","- C128 H156 Br4 O20 -","4","1","","Du, Lin; Zhu, Tianjiao; Fang, Yuchun; Gu, Qianqun; Zhu, Weiming","Unusual C25 steroid isomers with bicyclo[4.4.1]A/B rings from a volcano ash-derived fungus Penicillium citrinum.","Journal of natural products","2008","71","8","1343","1351","10.1021/np8000442","","","0.71073","MoKα","","0.0945","0.0455","","","0.0973","0.1113","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504458","6.6828","0.0013","10.1709","0.0016","33.541","0.003","90","","90","","90","","2279.8","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 O4 -","- C25 H36 O4 -","- C100 H144 O16 -","4","1","","Du, Lin; Zhu, Tianjiao; Fang, Yuchun; Gu, Qianqun; Zhu, Weiming","Unusual C25 steroid isomers with bicyclo[4.4.1]A/B rings from a volcano ash-derived fungus Penicillium citrinum.","Journal of natural products","2008","71","8","1343","1351","10.1021/np8000442","","","0.71073","MoKα","","0.0768","0.0487","","","0.1016","0.1096","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504459","8.799","0.002","14.981","0.003","15.655","0.003","90","","90","","90","","2063.6","0.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N O5 -","- C23 H35 N O5 -","- C92 H140 N4 O20 -","4","1","","Li, Chun-Shun; Di, Ying-Tong; Mu, Shu-Zhen; He, Hong-Ping; Zhang, Qiang; Fang, Xin; Zhang, Yu; Li, Shun-Lin; Lu, Yang; Gong, Yan-Qing; Hao, Xiao-Jiang","Daphniphyllum and diterpenoid alkaloids from Daphniphyllum longeracemosum.","Journal of natural products","2008","71","7","1202","1206","10.1021/np8001332","","","0.71073","MoKα","","0.0399","0.0368","","","0.0993","0.1026","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504461","7.817","0.001","12.2016","0.0001","26.9623","0.0001","90","","90","","90","","2571.7","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 O6 -","- C30 H34 O6 -","- C120 H136 O24 -","4","1","","He, Lan; Hou, Jing; Gan, Maoluo; Shi, Jiangong; Chantrapromma, Suchada; Fun, Hoong-Kun; Williams, Ian D.; Sung, Herman H.-Y.","Cadinane sesquiterpenes from the leaves of Eupatorium adenophorum.","Journal of natural products","2008","71","8","1485","1488","10.1021/np800242w","","","1.54184","CuKα","","0.0285","0.0281","","","0.0732","0.0735","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504462","5.5585","0.0001","14.6312","0.0002","17.8717","0.0002","90","","90","","90","","1453.46","0.04","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","He, Lan; Hou, Jing; Gan, Maoluo; Shi, Jiangong; Chantrapromma, Suchada; Fun, Hoong-Kun; Williams, Ian D.; Sung, Herman H.-Y.","Cadinane sesquiterpenes from the leaves of Eupatorium adenophorum.","Journal of natural products","2008","71","8","1485","1488","10.1021/np800242w","","","1.54184","CuKα","","0.0302","0.0281","","","0.0762","0.0779","","","","","","1.056","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504472","10.4487","0.0014","10.725","0.0015","15.021","0.002","90","","90","","90","","1683.3","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","","Burns, Aaron C.; Forsyth, Craig J.","Intramolecular Diels-Alder/Tsuji allylation assembly of the functionalized trans-decalin of salvinorin A.","Organic letters","2008","10","1","97","100","10.1021/ol7024058","","","0.71073","MoKα","","0.0501","0.047","","","0.1327","0.1355","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504483","13.3273","0.0004","16.5368","0.0005","26.0268","0.0007","90","","90","","90","","5736.1","0.3","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,2'R)-4,4'-Dioxo-5,5'-bis-(triisopropylsilanyl)-3,4,3',4'-tetrahydro- 2H,2'H-['2,2']bipyridinyl-1,1'-dicarboxylic acid bis-[(1S,2R)- 2-(1-methyl-1-phenylethyl)-cyclohexyl] ester","","- C60 H92 N2 O6 Si2 -","- C60 H92 N2 O6 Si2 -","- C240 H368 N8 O24 Si8 -","4","1","","Bharathi, Pandi; Comins, Daniel L.","Asymmetric synthesis of C2-symmetric vicinal diamines via reductive dimerization of N-acylpyridinium and related salts.","Organic letters","2008","10","2","221","223","10.1021/ol702595d","","","0.7107","MoKα","","0.0398","0.0348","","","0.0805","0.0833","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504493","9.4513","0.0007","10.0331","0.0008","24.638","0.002","90","","90","","90","","2336.3","0.3","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N3 O S -","- C27 H29 N3 O S -","- C108 H116 N12 O4 S4 -","4","1","","Boratyński, Przemysław J; Turowska-Tyrk, Ilona; Skarzewski, Jacek","Stereoselective C9 arylation and vinylation of Cinchona alkaloids.","Organic letters","2008","10","3","385","388","10.1021/ol7026625","","","0.71073","MoKα","","0.0634","0.0496","","","0.1395","0.1529","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504501","7.8071","0.001","8.0417","0.001","14.2852","0.0018","90","","90","","90","","896.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 Br N O -","- C10 H8 Br N O -","- C40 H32 Br4 N4 O4 -","4","1","","Foltz, Carole; Bellemin-Laponnaz, Stéphane; Enders, Markus; Wadepohl, Hubert; Gade, Lutz H.","Thermal rearrangement of 2-bromooxazolines to 2-bromoisocyanates.","Organic letters","2008","10","2","305","308","10.1021/ol7027509","","x-ray","0.71073","MoKα","","0.0408","0.0314","","","0.0681","0.0711","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504502","5.1912","0.0007","11.6401","0.0015","21.277","0.003","90","","90","","90","","1285.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 N2 O -","- C14 H20 N2 O -","- C56 H80 N8 O4 -","4","1","","Foltz, Carole; Bellemin-Laponnaz, Stéphane; Enders, Markus; Wadepohl, Hubert; Gade, Lutz H.","Thermal rearrangement of 2-bromooxazolines to 2-bromoisocyanates.","Organic letters","2008","10","2","305","308","10.1021/ol7027509","","x-ray","0.71073","MoKα","","0.0615","0.0429","","","0.0961","0.1048","","","","","","1.088","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504503","9.0694","0.0005","11.7804","0.0006","19.4812","0.0011","90","","90","","90","","2081.4","0.2","","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound_5","","","- C24 H18 Br2 N2 -","- C24 H18 Br2 N2 -","- C96 H72 Br8 N8 -","4","1","","Jen, Wendy S.; Truppo, Matthew D.; Amos, Deborah; Devine, Paul; McNevin, Michael; Biba, Mirlinda; Campos, Kevin R.","Copper-catalyzed synthesis of enantioenriched tetraarylethanes.","Organic letters","2008","10","5","741","744","10.1021/ol7027543","","","","MoKα","","","0.02","","","","0.0512","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504504","8.7335","0.0006","9.1351","0.0006","13.4992","0.0009","90","","90","","90","","1076.99","0.13","","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound_12","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C48 H40 Br4 N4 O4 -","4","1","","Jen, Wendy S.; Truppo, Matthew D.; Amos, Deborah; Devine, Paul; McNevin, Michael; Biba, Mirlinda; Campos, Kevin R.","Copper-catalyzed synthesis of enantioenriched tetraarylethanes.","Organic letters","2008","10","5","741","744","10.1021/ol7027543","","","","MoKα","","","0.0235","","","","0.0552","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504512","6.2765","0.0008","12.3831","0.0016","19.332","0.002","90","","90","","90","","1502.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07130a","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Lu, Ting; Song, Zhenlei; Hsung, Richard P.","A mutually pi-facial selective cyclopropanation of chiral enamides using dirhodium(II) carbenoids.","Organic letters","2008","10","4","541","544","10.1021/ol702824s","","","0.71073","MoKα","","0.0491","0.0375","","","0.0869","0.0912","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504513","6.0884","0.0005","16.1018","0.0013","21.8321","0.0018","90","","90","","90","","2140.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07226a","","","- C22 H31 N O4 -","- C22 H31 N O4 -","- C88 H124 N4 O16 -","4","1","","Lu, Ting; Song, Zhenlei; Hsung, Richard P.","A mutually pi-facial selective cyclopropanation of chiral enamides using dirhodium(II) carbenoids.","Organic letters","2008","10","4","541","544","10.1021/ol702824s","","","0.71073","MoKα","","0.0422","0.0362","","","0.0979","0.1023","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504518","10.204","0.001","10.835","0.001","27.774","0.003","90","","90","","90","","3070.7","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 N2 O5 -","- C38 H36 N2 O5 -","- C152 H144 N8 O20 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Tuning mechanism in a two-component columnar host system composed of 1,2-diphenylethylenediamine and 1,1'-binaphthyl-2,2'-dicarboxylic acid.","Organic letters","2008","10","3","469","471","10.1021/ol7028433","","","0.71073","MoKα","","0.1169","0.0671","","","0.1287","0.1547","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504521","13.092","0.0005","14.424","0.0014","27.58","0.002","90","","90","","90","","5208.2","0.7","153","2","153","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","FeC60CH2COOEt5Cp","","- C85 H40 Fe O10 -","- C85 H40 Fe O10 -","- C340 H160 Fe4 O40 -","4","1","","Nakae, Takahiro; Matsuo, Yutaka; Nakamura, Eiichi","Synthesis of C5-symmetric functionalized [60]fullerenes by copper-mediated 5-fold addition of Reformatsky reagents.","Organic letters","2008","10","4","621","623","10.1021/ol702874w","","x-ray","0.71073","MoKα","","0.0985","0.0856","","","0.2101","0.2325","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504527","5.5191","0.0002","10.5983","0.0004","45.4937","0.0017","90","","90","","90","","2661.07","0.17","150","2","150","2","","","","","","","Pedro Cintas","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O7 S2 -","- C27 H26 N2 O7 S2 -","- C108 H104 N8 O28 S8 -","4","1","","Cantillo, David; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Stepwise cycloadditions of mesoionic systems: thionation of thioisomünchnones by isothiocyanates.","Organic letters","2008","10","6","1079","1082","10.1021/ol702929k","","","0.71073","MoKα","","0.1154","0.0493","","","0.0763","0.0898","","","","","","0.916","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504529","15.739","0.002","17.218","0.002","22.561","0.003","90","","90","","90","","6113.9","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H83 N9 O11 S2 -","- C57 H83 N9 O11 S2 -","- C228 H332 N36 O44 S8 -","4","1","","Kwan, Jason C.; Rocca, James R.; Abboud, Khalil A.; Paul, Valerie J.; Luesch, Hendrik","Total structure determination of grassypeptolide, a new marine cyanobacterial cytotoxin.","Organic letters","2008","10","5","789","792","10.1021/ol702946d","","","0.71073","MoKα","","0.1283","0.0743","","","0.1581","0.182","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504530","8.6266","0.0011","14.8226","0.0019","17.985","0.002","90","","90","","90","","2299.7","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H11 Br Cl4 N2 O4 -","- C22 H11 Br Cl4 N2 O4 -","- C88 H44 Br4 Cl16 N8 O16 -","4","1","","Hughes, Chambers C.; Prieto-Davo, Alejandra; Jensen, Paul R.; Fenical, William","The marinopyrroles, antibiotics of an unprecedented structure class from a marine Streptomyces sp.","Organic letters","2008","10","4","629","631","10.1021/ol702952n","","","0.71073","MoKα","","0.0567","0.0507","","","0.1236","0.1276","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504531","11.422","0.005","11.628","0.002","22.718","0.005","90","","90","","90","","3017.3","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 N O8 S -","- C27 H41 N O8 S -","- C108 H164 N4 O32 S4 -","4","1","","Hjelmgaard, Thomas; Faure, Sophie; Lemoine, Pascale; Viossat, Bernard; Aitken, David J.","Rapid assembly of the polyhydroxylated beta-amino acid constituents of microsclerodermins C, D, and E.","Organic letters","2008","10","5","841","844","10.1021/ol702962z","","","0.71073","MoKα","","0.1707","0.0402","","","0.0861","0.1122","","","","","","0.909","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504540","4.8545","0.0006","14.9915","0.0016","22.48","0.003","90","","90","","90","","1636","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 S2 -","- C17 H15 N O3 S2 -","- C68 H60 N4 O12 S8 -","4","1","","Osorio-Lozada, Antonio; Olivo, Horacio F.","Indene-based thiazolidinethione chiral auxiliary for propionate and acetate aldol additions.","Organic letters","2008","10","4","617","620","10.1021/ol702980p","","","0.71073","MoKα","","0.0792","0.0478","","","0.0868","0.0984","","","","","","1.167","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504541","4.7392","0.0006","11.8411","0.0013","29.781","0.004","90","","90","","90","","1671.2","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O3 S2 -","- C16 H21 N O3 S2 -","- C64 H84 N4 O12 S8 -","4","1","","Osorio-Lozada, Antonio; Olivo, Horacio F.","Indene-based thiazolidinethione chiral auxiliary for propionate and acetate aldol additions.","Organic letters","2008","10","4","617","620","10.1021/ol702980p","","","0.71073","MoKα","","0.076","0.0569","","","0.1113","0.1191","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504542","8.674","0.002","10.289","0.003","29.529","0.008","90","","90","","90","","2635.4","1.2","123.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O12 -","- C27 H36 O12 -","- C108 H144 O48 -","4","1","","Iida, Motoo; Ooi, Takashi; Kito, Keijiro; Yoshida, Sanae; Kanoh, Kaneo; Shizuri, Yoshikazu; Kusumi, Takenori","Three new polyketide-terpenoid hybrids from Penicillium sp.","Organic letters","2008","10","5","845","848","10.1021/ol7029867","","","0.7107","MoKα","","","0.047","","","","0.129","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504545","6.339","0.0013","13.53","0.003","36.211","0.007","90","","90","","90","","3105.7","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 O6 Si -","- C33 H48 O6 Si -","- C132 H192 O24 Si4 -","4","1","","Li, Jialiang; Todaro, Louis J.; Mootoo, David R.","Synthesis of the AB subunit of angelmicin B through a tandem alkoxy radical fragmentation-etherification sequence.","Organic letters","2008","10","7","1337","1340","10.1021/ol703036y","","","0.71073","MoKα","","0.0897","0.0578","","","0.1037","0.1155","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504552","9.419","0.002","12.174","0.003","13.334","0.003","90","","90","","90","","1529","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07029","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","1","","Al-Rashid, Ziyad F; Hsung, Richard P.","Reactive intermediates from DMDO oxidation of ynamides. Trapping of a de novo chiral push-pull carbene via cyclopropanation.","Organic letters","2008","10","4","661","663","10.1021/ol703083k","","","0.71073","MoKα","","0.0332","0.03","","","0.0699","0.0718","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504553","10.2183","0.0009","10.4772","0.0009","12.5802","0.0011","90","","90","","90","","1346.8","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07221","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Al-Rashid, Ziyad F; Hsung, Richard P.","Reactive intermediates from DMDO oxidation of ynamides. Trapping of a de novo chiral push-pull carbene via cyclopropanation.","Organic letters","2008","10","4","661","663","10.1021/ol703083k","","","0.71073","MoKα","","0.0323","0.0296","","","0.0772","0.0799","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504558","6.3471","0.0007","9.1849","0.0011","28.994","0.003","90","","90","","90","","1690.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F3 N2 O4 -","- C16 H19 F3 N2 O4 -","- C64 H76 F12 N8 O16 -","4","1","","Abid, Mohammed; Teixeira, Liliana; Török, Béla","Triflic acid-catalyzed highly stereoselective friedel-crafts aminoalkylation of indoles and pyrroles.","Organic letters","2008","10","5","933","935","10.1021/ol703095d","","","0.71073","MoKα","","0.0804","0.054","","","0.1404","0.1567","","","","","","0.968","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504566","10.838","0.004","16.454","0.006","22.53","0.009","90","","90","","90","","4018","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H45 N2 O9 -","- C38 H45 N2 O9 -","- C152 H180 N8 O36 -","4","1","","Deng, Zhang-Shuang; Li, Jian-Xin; Teng, Peng; Li, Peng; Sun, Xiao-Ru","Biocatalyzed cross-coupling of sinomenine and guaiacol by Antrodiella semisupina.","Organic letters","2008","10","6","1119","1122","10.1021/ol800024u","","","0.71073","MoKα","","0.1152","0.1073","","","0.3028","0.3148","","","","","","1.376","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504570","10.7896","0.0002","11.2493","0.0002","41.8746","0.0008","90","","90","","90","","5082.55","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 S2 -","- C24 H30 N2 O4 S2 -","- C192 H240 N16 O32 S16 -","8","2","","Ohno, Hiroaki; Okano, Akinori; Kosaka, Shohei; Tsukamoto, Koji; Ohata, Miyo; Ishihara, Kotaro; Maeda, Hatsuo; Tanaka, Tetsuaki; Fujii, Nobutaka","Direct construction of bicyclic heterocycles by palladium-catalyzed domino cyclization of propargyl bromides.","Organic letters","2008","10","6","1171","1174","10.1021/ol800063d","","","1.54178","CuKα","","0.0716","0.0494","","","0.0951","0.1216","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504575","7.339","0.004","9.993","0.005","20.287","0.01","90","","90","","90","","1487.8","1.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","tf09-115","(E)-Ethyl 1-(2-iodo-1-phenylvinyl)-2-oxocyclopentanecarboxylate","","- C16 H17 I O3 -","- C16 H17 I O3 -","- C64 H68 I4 O12 -","4","1","","Tsuji, Hayato; Fujimoto, Taisuke; Endo, Kohei; Nakamura, Masaharu; Nakamura, Eiichi","Stereoselective synthesis of trisubstituted E-iodoalkenes by indium-catalyzed syn-addition of 1,3-dicarbonyl compounds to 1-iodoalkynes.","Organic letters","2008","10","6","1219","1221","10.1021/ol800105r","","","0.7107","MoKα","","0.0159","0.0155","","","0.0365","0.0366","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504584","9.0773","0.0013","10.2119","0.0014","12.5888","0.0017","90","","90","","90","","1166.9","0.3","123.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Ohtsuki, Keiko; Matsuo, Kazumasa; Yoshikawa, Takashi; Moriya, Chihiro; Tomita-Yokotani, Kaori; Shishido, Kozo; Shindo, Mitsuru","Total synthesis of (+)- and (-)-sundiversifolide via intramolecular acylation and determination of the absolute configuration.","Organic letters","2008","10","6","1247","1250","10.1021/ol8001333","","","1.54187","CuKα","","","0.047","","","","0.1447","","","","","","1.116","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504588","8.9648","0.001","9.3633","0.0011","24.021","0.003","90","","90","","90","","2016.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br N O3 S -","- C17 H24 Br N O3 S -","- C68 H96 Br4 N4 O12 S4 -","4","1","","Sun, Xing-Wen; Liu, Min; Xu, Ming-Hua; Lin, Guo-Qiang","Remarkable salt effect on In-mediated allylation of N-tert-butanesulfinyl imines in aqueous media: highly practical asymmetric synthesis of chiral homoallylic amines and isoindolinones.","Organic letters","2008","10","6","1259","1262","10.1021/ol8001514","","","0.71073","MoKα","","0.1008","0.06","","","0.118","0.137","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504601","13.6286","0.0005","16.304","0.0005","34.1699","0.0011","90","","90","","90","","7592.6","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H88 N4 O39.5 -","- C66 H88 N4 O39.5 -","- C264 H352 N16 O158 -","4","1","","Maniam, Subashani; Cieslinski, Marta M.; Lincoln, Stephen F.; Onagi, Hideki; Steel, Peter J.; Willis, Anthony C.; Easton, Christopher J.","Molecular fibers and wires in solid-state and solution self-assemblies of cyclodextrin [2]rotaxanes.","Organic letters","2008","10","10","1885","1888","10.1021/ol8002145","","","0.71073","MoKα","","0.0735","0.0643","","","0.1603","0.1689","","","","","","1.041","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504602","13.832","0.0003","22.7978","0.0005","24.1251","0.0005","90","","90","","90","","7607.6","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H90 N2 O39 -","- C68 H90 N2 O39 -","- C272 H360 N8 O156 -","4","1","","Maniam, Subashani; Cieslinski, Marta M.; Lincoln, Stephen F.; Onagi, Hideki; Steel, Peter J.; Willis, Anthony C.; Easton, Christopher J.","Molecular fibers and wires in solid-state and solution self-assemblies of cyclodextrin [2]rotaxanes.","Organic letters","2008","10","10","1885","1888","10.1021/ol8002145","","","0.71073","MoKα","","0.0593","0.0546","","","0.1597","0.1662","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504604","4.668","0.002","13.096","0.006","24.086","0.011","90","","90","","90","","1472.4","1.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Adams, Harry; Gilmore, Nathan J.; Jones, Simon; Muldowney, Mark P.; von Reuss, Stephan H.; Vemula, Ramesh","Asymmetric synthesis of corsifuran A by an enantioselective oxazaborolidine reduction.","Organic letters","2008","10","7","1457","1460","10.1021/ol800239q","","","0.71073","MoKα","","0.0673","0.0444","","","0.0896","0.0979","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504605","4.656","0.002","13.095","0.006","23.986","0.011","90","","90","","90","","1462.4","1.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Adams, Harry; Gilmore, Nathan J.; Jones, Simon; Muldowney, Mark P.; von Reuss, Stephan H.; Vemula, Ramesh","Asymmetric synthesis of corsifuran A by an enantioselective oxazaborolidine reduction.","Organic letters","2008","10","7","1457","1460","10.1021/ol800239q","","","0.71073","MoKα","","0.0419","0.0311","","","0.0618","0.0651","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504609","9.2007","0.0001","11.5462","0.0001","16.0967","0.0001","90","","90","","90","","1710","0.03","123","","123","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br N2 -","- C19 H23 Br N2 -","- C76 H92 Br4 N8 -","4","1","","Maity, Prantik; König, Burkhard","Synthesis and structure of 1,4-dipiperazino benzenes: chiral terphenyl-type peptide helix mimetics.","Organic letters","2008","10","7","1473","1476","10.1021/ol8002749","","x-ray","1.54184","CuKα","","0.0307","0.0266","","","0.0616","0.0626","","","","","","1.008","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504615","7.9661","0.0015","8.8334","0.0017","18.602","0.003","90","","90","","90","","1309","0.4","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O3 S -","- C13 H17 N O3 S -","- C52 H68 N4 O12 S4 -","4","1","","Unthank, Matthew G.; Tavassoli, Bahareh; Aggarwal, Varinder K.","Epoxy-annulations by reactions of alpha-amido ketones with vinyl sulfonium salts. Reagent versus substrate control and kinetic resolution.","Organic letters","2008","10","7","1501","1504","10.1021/ol800318h","","x-ray","0.71074","MoKα","","0.1353","0.0552","","","0.0864","0.1047","","","","","","0.974","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504633","9.2887","0.0002","11.1807","0.0002","18.0546","0.0004","90","","90","","90","","1875.05","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl O2 -","- C24 H19 Cl O2 -","- C96 H76 Cl4 O8 -","4","1","","Lee, Gon-Ann; Chen, Ko Chou","The general synthesis and trapping of 3-substituted 1-chlorocyclopropenes.","Organic letters","2008","10","9","1843","1845","10.1021/ol8004479","","","0.71073","MoKα","","0.0438","0.0368","","","0.0928","0.1012","","","","","","1.082","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504635","8.2148","0.0007","13.1032","0.0012","16.4021","0.0018","90","","90","","90","","1765.5","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl O2 -","- C23 H17 Cl O2 -","- C92 H68 Cl4 O8 -","4","1","","Lee, Gon-Ann; Chen, Ko Chou","The general synthesis and trapping of 3-substituted 1-chlorocyclopropenes.","Organic letters","2008","10","9","1843","1845","10.1021/ol8004479","","","0.71073","MoKα","","0.1838","0.0856","","","0.1806","0.2353","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504642","5.4766","0.0001","11.8487","0.0001","26.9318","0.0001","90","","90","","90","","1747.62","0.04","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Maji, Modhu Sudan; Fröhlich, Roland; Studer, Armido","Desymmetrization of metallated cyclohexadienes with chiral N-tert-butanesulfinyl imines.","Organic letters","2008","10","9","1847","1850","10.1021/ol800478q","","","1.54178","CuKα","","0.0645","0.051","","","0.1103","0.1201","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504643","6.6973","0.0001","14.2845","0.0001","19.4795","0.0001","90","","90","","90","","1863.56","0.03","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O2 S -","- C18 H27 N O2 S -","- C72 H108 N4 O8 S4 -","4","1","","Maji, Modhu Sudan; Fröhlich, Roland; Studer, Armido","Desymmetrization of metallated cyclohexadienes with chiral N-tert-butanesulfinyl imines.","Organic letters","2008","10","9","1847","1850","10.1021/ol800478q","","","1.54178","CuKα","","0.0667","0.0491","","","0.099","0.1137","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504656","7.9587","0.0008","11.5873","0.0013","40.157","0.004","90","","90","","90","","3703.3","0.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H59 Br O3 Si -","- C38 H59 Br O3 Si -","- C152 H236 Br4 O12 Si4 -","4","1","","Zhao, Yu-Jun; Loh, Teck-Peng","Asymmetric total synthesis of antiochic acid.","Organic letters","2008","10","11","2143","2145","10.1021/ol800499p","","","0.71073","MoKα","","0.0875","0.0679","","","0.1814","0.1968","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504657","7.8424","0.0004","14.4807","0.0007","17.6474","0.0009","90","","90","","90","","2004.1","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Br O -","- C24 H27 Br O -","- C96 H108 Br4 O4 -","4","1","","Zhao, Yu-Jun; Loh, Teck-Peng","Asymmetric total synthesis of antiochic acid.","Organic letters","2008","10","11","2143","2145","10.1021/ol800499p","","","0.71073","MoKα","","0.0734","0.0449","","","0.098","0.1205","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504660","7.6455","0.0013","10.2121","0.0017","22.5","0.004","90","","90","","90","","1756.7","0.5","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Ueda, Tohru; Inada, Mitsuhide; Okamoto, Iwao; Morita, Nobuyoshi; Tamura, Osamu","Synthesis of maremycins A and D1 via cycloaddition of a nitrone with (E)-3-ethylidene-1-methylindolin-2-one.","Organic letters","2008","10","10","2043","2046","10.1021/ol800515w","","","0.71073","MoKα","","0.0306","0.0295","","","0.0738","0.0747","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504665","7.2909","0.0013","7.3802","0.0013","25.433","0.005","90","","90","","90","","1368.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Hong, Bor-Cherng; Nimje, Roshan Y.; Sadani, Amit A.; Liao, Ju-Hsiou","Organocatalytic enantioselective domino Michael-aldol condensation of 5-oxoalkanal and alpha,beta-unsaturated aldehydes. Efficient assembly of densely functionalized cyclohexenes.","Organic letters","2008","10","12","2345","2348","10.1021/ol8005369","","","0.71073","MoKα","","0.1056","0.0755","","","0.1348","0.1496","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504666","7.974","0.003","13.082","0.005","17.527","0.006","90","","90","","90","","1828.3","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O2 S -","- C22 H20 O2 S -","- C88 H80 O8 S4 -","4","1","","Arroyo, Yolanda; Meana, Angela; Sanz-Tejedor, M Ascensión; Ruano, José Luis García","Stereoselective alkylidenation of ketones with 2-(p-toluenesulfinyl)benzyl iodide: synthesis of enantiomerically pure trisubstituted epoxides.","Organic letters","2008","10","11","2151","2154","10.1021/ol8005387","","","0.71073","MoKα","","0.0327","0.0278","","","0.0661","0.069","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504667","9.2897","0.0013","11.0292","0.0016","20.409","0.003","90","","90","","90","","2091.1","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O3 S -","- C25 H24 O3 S -","- C100 H96 O12 S4 -","4","1","","Arroyo, Yolanda; Meana, Angela; Sanz-Tejedor, M Ascensión; Ruano, José Luis García","Stereoselective alkylidenation of ketones with 2-(p-toluenesulfinyl)benzyl iodide: synthesis of enantiomerically pure trisubstituted epoxides.","Organic letters","2008","10","11","2151","2154","10.1021/ol8005387","","","0.71073","MoKα","","0.0611","0.0402","","","0.0806","0.0916","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504668","7.302","0.002","11.179","0.003","35.809","0.006","90","","90","","90","","2923.1","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","p-nitrobenzoyl ester","","","- C30 H39 N O8 -","- C30 H39 N O8 -","- C120 H156 N4 O32 -","4","1","","Corbu, Andrei; Aquino, Maurizio; Pratap, T. V.; Retailleau, Pascal; Arseniyadis, Siméon","Enantioselective synthesis of iridal, the parent molecule of the iridal triterpenoid class.","Organic letters","2008","10","9","1787","1790","10.1021/ol8005425","","","0.71069","MoKα","","0.0599","0.0406","","","0.0944","0.1057","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504672","6.5252","0.0003","11.736","0.0005","26.8237","0.0012","90","","90","","90","","2054.15","0.16","160","1","160","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O5 -","- C21 H34 O5 -","- C84 H136 O20 -","4","1","","Palomo, Claudio; Oiarbide, Mikel; García, Jesús M; Bañuelos, Patricia; Odriozola, José M; Razkin, Jesús; Linden, Anthony","Catalytic Michael reactions of ketoesters with a camphor-derived acrylate equivalent: stereoselective access to all-carbon quaternary centers.","Organic letters","2008","10","13","2637","2640","10.1021/ol800564d","","","0.71073","MoKα","","0.0917","0.0535","","","0.0991","0.1159","","","","","","1.135","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1504678","9.995","0.002","22.542","0.005","26.464","0.005","90","","90","","90","","5963","2","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H44 Cl N O12 S4 -","- C80 H44 Cl N O12 S4 -","- C320 H176 Cl4 N4 O48 S16 -","4","1","","Yao, Jiayao; Xiao, Zuo; Gan, Liangbing; Yang, Dazhi; Wang, Zheming","Towards the rational synthesis of norfullerenes. controlled deletion of one carbon atom from C60 and preparation of 2,5,9-trioxo-1-nor(C60-Ih)[5,6]fullerene C59(O)3 derivatives.","Organic letters","2008","10","10","2003","2006","10.1021/ol800611r","","","0.71073","MoKα","","0.1499","0.0791","","","0.1565","0.1795","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504686","9.5369","0.0003","10.9797","0.0004","19.7388","0.0006","90","","90","","90","","2066.9","0.12","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 O7 -","- C18 H28 N2 O7 -","- C72 H112 N8 O28 -","4","1","","Sohtome, Yoshihiro; Kato, Yuko; Handa, Shinya; Aoyama, Naohiro; Nagawa, Keita; Matsunaga, Shigeki; Shibasaki, Masakatsu","Stereodivergent catalytic doubly diastereoselective nitroaldol reactions using heterobimetallic complexes.","Organic letters","2008","10","11","2231","2234","10.1021/ol800653d","","","1.54187","CuKα","","","0.0609","","","","0.1913","","","","","","0.521","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504703","7.9458","0.0006","9.34","0.0007","12.556","0.0012","90","","90","","90","","931.83","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O2 -","- C12 H12 O2 -","- C48 H48 O8 -","4","1","","Birbaum, Frédéric; Neels, Antonia; Bochet, Christian G.","Photochemistry of allenyl salicylaldehydes.","Organic letters","2008","10","15","3175","3178","10.1021/ol800806a","","","0.71073","MoKα","","0.0388","0.0368","","","0.0978","0.0991","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504705","6.752","0.003","10.198","0.005","17.425","0.009","90","","90","","90","","1199.8","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O2 -","- C11 H20 O2 -","- C44 H80 O8 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Highly sterically hindered olefins: a case of E- and Z-di-tert-butyl alpha,beta-unsaturated acids.","Organic letters","2008","10","11","2303","2305","10.1021/ol800808g","","","0.71073","MoKα","","0.102","0.0757","","","0.2035","0.2287","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504712","9.7437","0.0006","9.9574","0.0005","17.4514","0.0012","90","","90","","90","","1693.17","0.18","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Shaabani, Ahmad; Soleimani, Ebrahim; Rezayan, Ali Hossein; Sarvary, Afshin; Khavasi, Hamid Reza","Novel isocyanide-based four-component reaction: a facile synthesis of fully substituted 3,4-dihydrocoumarin derivatives.","Organic letters","2008","10","12","2581","2584","10.1021/ol800856e","","","0.71073","MoKα","","0.0696","0.0572","","","0.1101","0.1145","","","","","","1.232","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504730","5.563","0.002","9.19","0.002","30.584","0.006","90","","90","","90","","1563.6","0.7","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","acetic acid (E)-(3R,6R,7S,10S)-7,10-dihydroxy-3,7-dimethyl-12-oxo- oxacyclododec-4-en-6-yl ester (4)","","- C15 H24 O6 -","- C15 H24 O6 -","- C60 H96 O24 -","4","1","","Skaanderup, Philip R.; Jensen, Thomas","Synthesis of the macrocyclic core of (-)-pladienolide B.","Organic letters","2008","10","13","2821","2824","10.1021/ol800946x","","","1.54178","CuKα","","0.0278","0.0271","","","0.0673","0.0679","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504736","7.355","0.0007","13.6917","0.0012","14.3079","0.0013","90","","90","","90","","1440.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl4 O5 -","- C12 H12 Cl4 O5 -","- C48 H48 Cl16 O20 -","4","1","","Khan, Faiz Ahmed; Sudheer, Ch","A chiral pool approach to the synthesis of optically active tetrahalo norbornyl building blocks.","Organic letters","2008","10","14","3029","3032","10.1021/ol800990m","","","0.71073","MoKα","","0.0572","0.0442","","","0.0917","0.1145","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504752","12.4","0.002","18.888","0.003","21.458","0.003","90","","90","","90","","5025.7","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 O2 -","- C12 H22 O2 -","- C192 H352 O32 -","16","4","","Corbu, Andrei; Perez, Manuel; Aquino, Maurizio; Retailleau, Pascal; Arseniyadis, Simeon","Total synthesis and structural confirmation of ent-galbanic acid and marneral.","Organic letters","2008","10","13","2853","2856","10.1021/ol8010216","","","0.7107","MoKα","","0.0688","0.0442","","","0.1078","0.1238","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504756","13.7407","0.0002","15.7646","0.0002","17.2946","0.0002","90","","90","","90","","3746.3","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H37 F3 N O4 P -","- C43 H37 F3 N O4 P -","- C172 H148 F12 N4 O16 P4 -","4","1","","Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; Torre-Fernández, Laura; García-Granda, Santiago; López-Ortiz, Fernando","Asymmetric deprotonation-substitution of N-Pop-benzylamines using [RLi/(-)-sparteine]. Enantioselective sequential reactions and synthesis of N-heterocycles.","Organic letters","2008","10","15","3195","3198","10.1021/ol801027p","","","1.54184","CuKα","","0.0396","0.034","","","0.081","0.0839","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504780","7.8235","0.0007","18.7193","0.0018","20.708","0.002","90","","90","","90","","3032.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O2 -","- C17 H16 N2 O2 -","- C136 H128 N16 O16 -","8","2","","Lu, Zheng; Zheng, Suqing; Zhang, Xumu; Lu, Xiyan","An unexpected phosphine-catalyzed [3 + 2] annulation. Synthesis of highly functionalized cyclopentenes.","Organic letters","2008","10","15","3267","3270","10.1021/ol8011452","","","0.71073","MoKα","","0.143","0.0673","","","0.1678","0.2047","","","","","","0.938","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504847","5.271","0.002","15.344","0.006","17.466","0.006","90","","90","","90","","1412.6","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br O4 -","- C14 H13 Br O4 -","- C56 H52 Br4 O16 -","4","1","","He, Ming; Beahm, Brendan J.; Bode, Jeffrey W.","Chiral NHC-catalyzed oxodiene Diels-Alder reactions with alpha-chloroaldehyde bisulfite salts.","Organic letters","2008","10","17","3817","3820","10.1021/ol801502h","","","0.71073","MoKα","","0.2382","0.0544","","","0.1118","0.1457","","","","","","0.745","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504848","5.5454","0.0017","18.341","0.005","18.463","0.005","90","","90","","90","","1877.8","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br O4 -","- C21 H19 Br O4 -","- C84 H76 Br4 O16 -","4","1","","He, Ming; Beahm, Brendan J.; Bode, Jeffrey W.","Chiral NHC-catalyzed oxodiene Diels-Alder reactions with alpha-chloroaldehyde bisulfite salts.","Organic letters","2008","10","17","3817","3820","10.1021/ol801502h","","","0.71073","MoKα","","0.2831","0.0521","","","0.1083","0.1602","","","","","","0.669","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504849","9.5418","0.0003","13.7866","0.0004","15.7652","0.0005","90","","90","","90","","2073.9","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","1","","Movassaghi, Mohammad; Schmidt, Michael A.; Ashenhurst, James A.","Stereoselective oxidative rearrangement of 2-aryl tryptamine derivatives.","Organic letters","2008","10","18","4009","4012","10.1021/ol8015176","","","0.71073","MoKα","","0.0308","0.0301","","","0.0804","0.0813","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504852","8.548","0.009","25.63","0.03","27.7","0.03","90","","90","","90","","6069","12","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 Br N O3 Si -","- C27 H42 Br N O3 Si -","- C216 H336 Br8 N8 O24 Si8 -","8","2","","Nishimura, Takahiro; Tsurumaki, Eiji; Kawamoto, Takahiro; Guo, Xun-Xiang; Hayashi, Tamio","Rhodium-catalyzed asymmetric ring-opening alkynylation of azabenzonorbornadienes.","Organic letters","2008","10","18","4057","4060","10.1021/ol801549t","","","0.71075","MoKα","","0.1895","0.0661","","","0.1555","0.1937","","","","","","0.851","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504869","6.287","0.0003","12.6614","0.0005","22.687","0.0009","90","","90","","90","","1805.94","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","BJA-978","","","- C22 H22 B Fe P -","- C22 H22 B Fe P -","- C88 H88 B4 Fe4 P4 -","4","1","","Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.","Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.","Organic letters","2008","10","20","4425","4428","10.1021/ol801616s","","","1.54178","CuKα","","0.0547","0.0492","","","0.1323","0.1355","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504870","9.9633","0.001","12.6914","0.0012","23.225","0.002","90","","90","","90","","2936.8","0.5","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 B P -","- C17 H16 B P -","- C136 H128 B8 P8 -","8","2","","Anderson, Brian J.; Guino-o, Marites A; Glueck, David S.; Golen, James A.; DiPasquale, Antonio G.; Liable-Sands, Louise M; Rheingold, Arnold L.","Platinum-catalyzed enantioselective tandem alkylation/arylation of primary phosphines. Asymmetric synthesis of P-stereogenic 1-phosphaacenaphthenes.","Organic letters","2008","10","20","4425","4428","10.1021/ol801616s","","","0.71073","MoKα","","0.0643","0.0438","","","0.0974","0.1097","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504873","6.3608","0.0001","14.1828","0.0003","14.8678","0.0004","90","","90","","90","","1341.28","0.05","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Willis, Anthony C.","A formal total synthesis of platencin.","Organic letters","2008","10","20","4465","4468","10.1021/ol801647h","","","0.71073","MoKα","","0.0342","0.0288","","0.0339","0.0324","0.0324","","","","","","1.1453","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504876","7.1731","0.0001","11.4468","0.0003","12.9869","0.0003","90","","90","","90","","1066.34","0.04","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O -","- C13 H18 O -","- C52 H72 O4 -","4","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Willis, Anthony C.","A formal total synthesis of platencin.","Organic letters","2008","10","20","4465","4468","10.1021/ol801647h","","","0.71073","MoKα","","0.0354","0.0301","","0.0398","0.0364","0.0364","","","","","","1.1162","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504881","6.1336","0.0007","11.728","0.0014","14.5571","0.0017","90","","90","","90","","1047.2","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","1","","Feng, Chen-Guo; Wang, Zhi-Qian; Shao, Cheng; Xu, Ming-Hua; Lin, Guo-Qiang","Highly practical catalytic asymmetric 1,4-addition of arylboronic acids in water using new hydrophilic chiral bicyclo[3.3.0] diene ligands.","Organic letters","2008","10","18","4101","4104","10.1021/ol801665z","","","0.71073","MoKα","","0.0564","0.0392","","","0.0616","0.0655","","","","","","0.893","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504882","9.7534","0.001","9.9312","0.001","28.882","0.003","90","","90","","90","","2797.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl2 O8 Rh2 -","- C28 H28 Cl2 O8 Rh2 -","- C112 H112 Cl8 O32 Rh8 -","4","1","","Feng, Chen-Guo; Wang, Zhi-Qian; Shao, Cheng; Xu, Ming-Hua; Lin, Guo-Qiang","Highly practical catalytic asymmetric 1,4-addition of arylboronic acids in water using new hydrophilic chiral bicyclo[3.3.0] diene ligands.","Organic letters","2008","10","18","4101","4104","10.1021/ol801665z","","","0.71073","MoKα","","0.0501","0.047","","","0.1192","0.1206","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504892","10.227","0.001","7.534","0.001","29.237","0.002","90","","90","","90","","2252.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Cl N O6 -","- C22 H24 Cl N O6 -","- C88 H96 Cl4 N4 O24 -","4","1","","Vara, Yosu; Bello, Tamara; Aldaba, Eneko; Arrieta, Ana; Pizarro, José L; Arriortua, María I; Lopez, Xabier; Cossío, Fernando P","Trans-stereoselectivity in the reaction between homophthalic anhydride and imines.","Organic letters","2008","10","21","4759","4762","10.1021/ol801757r","","","0.71073","MoKα","","0.0449","0.0327","","","0.077","0.0816","","","","","","0.936","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504895","10.5581","0.0006","10.9515","0.0008","12.6633","0.0008","90","","90","","90","","1464.22","0.16","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Matveenko, Maria; Banwell, Martin G.; Willis, Anthony C.","A chemoenzymatic total synthesis of the structure assigned to the alkaloid (+)-montabuphine.","Organic letters","2008","10","20","4693","4696","10.1021/ol801815k","","","0.71073","MoKα","","0.0486","0.0328","","0.0672","0.0635","0.0672","","","","","","0.8184","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504900","9.3234","0.0002","9.6424","0.0002","16.4602","0.0004","90","","90","","90","","1479.77","0.06","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O7 -","- C13 H22 O7 -","- C52 H88 O28 -","4","1","","Bridgwood, Katy L.; Tzschucke, C. Christoph; O'Brien, Matthew; Wittrock, Sven; Goodman, Jonathan M.; Davies, John E.; Logan, Angus W. J.; Hüttl, Matthias R M; Ley, Steven V.","Enantiopure 2-substituted glyceraldehyde derivatives by aza-Claisen rearrangement or C-alkylation of enamines.","Organic letters","2008","10","20","4537","4540","10.1021/ol8018242","","","0.71073","MoKα","","0.0448","0.0373","","","0.092","0.0974","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504902","6.1878","0.0002","10.3959","0.0003","24.2681","0.0007","90","","90","","90","","1561.11","0.08","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Bridgwood, Katy L.; Tzschucke, C. Christoph; O'Brien, Matthew; Wittrock, Sven; Goodman, Jonathan M.; Davies, John E.; Logan, Angus W. J.; Hüttl, Matthias R M; Ley, Steven V.","Enantiopure 2-substituted glyceraldehyde derivatives by aza-Claisen rearrangement or C-alkylation of enamines.","Organic letters","2008","10","20","4537","4540","10.1021/ol8018242","","","0.71073","MoKα","","0.0419","0.0338","","","0.0758","0.0808","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504909","13.8439","0.0005","14.6436","0.0006","37.648","0.0014","90","","90","","90","","7632.2","0.5","150","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 F12 N2 O6 S2 -","- C36 H36 F12 N2 O6 S2 -","- C288 H288 F96 N16 O48 S16 -","8","2","","Wang, Chun-Jiang; Gao, Feng; Liang, Gang","Axial 4,4',6,6'-tetrakis-trifluoromethyl-biphenyl-2,2'-diamine (TF-BIPHAM): resolution and applications in asymmetric hydrogenation.","Organic letters","2008","10","21","4711","4714","10.1021/ol8018677","","","0.71073","MoKα","","0.1067","0.0886","","","0.1961","0.1936","","","","","","1.109","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504910","8.2102","0.0007","10.2452","0.0013","13.693","0.0014","90","","90","","90","","1151.8","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cl N O -","- C12 H16 Cl N O -","- C48 H64 Cl4 N4 O4 -","4","1","","Kise, Naoki; Mano, Toshiyuki; Sakurai, Toshihiko","Electroreductive intramolecular coupling of 1-indolealkanones.","Organic letters","2008","10","20","4617","4620","10.1021/ol801876k","","","0.71075","MoKα","","0.033","0.0293","","","0.0712","0.0729","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504911","8.018","0.0005","10.5735","0.0008","14.6209","0.0008","90","","90","","90","","1239.54","0.14","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl N O -","- C13 H18 Cl N O -","- C52 H72 Cl4 N4 O4 -","4","1","","Kise, Naoki; Mano, Toshiyuki; Sakurai, Toshihiko","Electroreductive intramolecular coupling of 1-indolealkanones.","Organic letters","2008","10","20","4617","4620","10.1021/ol801876k","","","0.71075","MoKα","","0.0408","0.0329","","","0.0735","0.0757","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504912","5.9797","0.0001","14.9321","0.0003","27.3603","0.0006","90","","90","","90","","2442.99","0.08","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br N O3 S2 -","- C25 H24 Br N O3 S2 -","- C100 H96 Br4 N4 O12 S8 -","4","1","","Viso, Alma; Fernández de la Pradilla, Roberto; Ureña, Mercedes; Colomer, Ignacio","Highly diastereoselective addition of lithio vinyl sulfoxides to N-sulfinimines: an entry to enantiopure 3-sulfinyl-2,5-cis-dihydropyrroles.","Organic letters","2008","10","21","4775","4778","10.1021/ol801878f","","","1.54178","CuKα","","0.0264","0.0251","","","0.0676","0.0689","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504919","12.333","0.003","16.695","0.004","18.865","0.004","90","","90","","90","","3884.3","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 F3 N O2 -","- C22 H20 F3 N O2 -","- C176 H160 F24 N8 O16 -","8","2","","Thillaye du Boullay, Olivier; Alba, Aurélie; Oukhatar, Fatima; Martin-Vaca, Blanca; Bourissou, Didier","(1-Naphthyl)(trifluoromethyl) O-carboxy anhydride as a chiral derivatizing agent: eclipsed conformation enforced by hydrogen bonding.","Organic letters","2008","10","20","4669","4672","10.1021/ol801930m","","","0.71073","MoKα","","0.1438","0.0457","","","0.0541","0.0706","","","","","","0.732","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504926","8.04577","0.00015","8.2527","0.00015","18.717","0.0003","90","","90","","90","","1242.8","0.04","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Tabata, Hidetsugu; Akiba, Kumi; Lee, Shoukou; Takahashi, Hideyo; Natsugari, Hideaki","Atropisomeric properties of the dibenzo[b,d]azepin-6-one nucleus.","Organic letters","2008","10","21","4871","4874","10.1021/ol801968b","","","1.54187","CuKα","","","0.029","","","","0.0683","","","","","","1.228","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504927","8.04449","0.00015","8.25073","0.00015","18.716","0.0003","90","","90","","90","","1242.24","0.04","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O -","- C16 H15 N O -","- C64 H60 N4 O4 -","4","1","","Tabata, Hidetsugu; Akiba, Kumi; Lee, Shoukou; Takahashi, Hideyo; Natsugari, Hideaki","Atropisomeric properties of the dibenzo[b,d]azepin-6-one nucleus.","Organic letters","2008","10","21","4871","4874","10.1021/ol801968b","","","1.54187","CuKα","","","0.032","","","","0.0808","","","","","","0.715","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504930","7.221","0.005","10.099","0.003","20.92","0.013","90","","90","","90","","1525.6","1.5","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C64 H92 N4 O20 -","4","1","","Lévesque, François; Bélanger, Guillaume","A versatile cascade of intramolecular Vilsmeier-Haack and azomethine ylide 1,3-dipolar cycloaddition toward tricyclic cores of alkaloids.","Organic letters","2008","10","21","4939","4942","10.1021/ol802010n","","","0.71073","MoKα","","0.1234","0.0514","","","0.0841","0.0992","","","","","","0.958","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504934","7.0712","0.0002","13.0588","0.0003","17.1676","0.0003","90","","90","","90","","1585.28","0.06","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Alden-Danforth, Ethan; Scerba, Michael T.; Lectka, Thomas","Asymmetric cycloadditions of o-quinone methides employing chiral ammonium fluoride precatalysts.","Organic letters","2008","10","21","4951","4953","10.1021/ol802029e","","","1.54178","CuKα","","0.034","0.0332","","","0.0892","0.09","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504936","5.3538","0.0001","13.5189","0.0003","20.0587","0.0005","90","","90","","90","","1451.8","0.06","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","1","","Petersen, Kimberly S.; Posner, Gary H.","Asymmetric, organocatalytic, three-step synthesis of gamma-hydroxy-(E)-alpha,beta-unsaturated sulfones and esters.","Organic letters","2008","10","20","4685","4687","10.1021/ol8020513","","","0.71073","MoKα","","0.0623","0.0469","","","0.0984","0.1026","","","","","","0.984","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504943","6.31022","0.00014","8.28482","0.00018","20.7306","0.0005","90","","90","","90","","1083.78","0.04","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Chen, I-Hon; Oisaki, Kounosuke; Kanai, Motomu; Shibasaki, Masakatsu","Cu(I)-catalyzed hetero-Diels-Alder reaction between Danishefsky-type siloxy dienes and ketones.","Organic letters","2008","10","22","5151","5154","10.1021/ol802134a","","","1.54187","CuKα","","","0.0644","","","","0.2311","","","","","","0.953","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504946","9.814","0.005","14.667","0.005","21.883","0.005","90","0.005","90","0.005","90","0.005","3150","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 Br2 N2 O5 -","- C31 H34 Br2 N2 O5 -","- C124 H136 Br8 N8 O20 -","4","1","","Liu, Wei-Jun; Chen, Xiao-Hua; Gong, Liu-Zhu","Direct assembly of aldehydes, amino esters, and anilines into chiral imidazolidines via Brønsted acid catalyzed asymmetric 1,3-dipolar cycloadditions.","Organic letters","2008","10","23","5357","5360","10.1021/ol802177s","","","1.54184","CuKα","","0.0495","0.0481","","","0.0966","0.0971","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504955","6.1454","0.0001","11.2662","0.0003","27.9745","0.0007","90","","90","","90","","1936.82","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","","Reynolds, Troy E.; Binkley, Michael S.; Scheidt, Karl A.","Highly selective alpha-acylvinyl anion additions to imines.","Organic letters","2008","10","22","5227","5230","10.1021/ol802227t","","","0.71073","MoKα","","0.0505","0.0388","","","0.1003","0.1263","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504959","7.5488","0.0005","11.1814","0.0008","39.297","0.003","90","","90","","90","","3316.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C168 H120 N24 O8 -","8","2","","Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong","Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.","Organic letters","2008","10","23","5389","5392","10.1021/ol802246q","","","0.71073","MoKα","","0.0988","0.0586","","","0.1461","0.1721","","","","","","1.037","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504975","6.4058","0.0008","11.0838","0.0014","28.504","0.004","90","","90","","90","","2023.8","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 O6 S Si -","- C18 H28 O6 S Si -","- C72 H112 O24 S4 Si4 -","4","1","","Mortimer, Anne J Price; Aliev, Abil E.; Tocher, Derek A.; Porter, Michael J.","Synthesis of the tagetitoxin core via photo-Stevens rearrangement.","Organic letters","2008","10","23","5477","5480","10.1021/ol802297h","","","0.71073","MoKα","","0.0595","0.0485","","","0.1083","0.1148","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504977","6.0675","0.0012","7.6494","0.0015","30.672","0.006","90","","90","","90","","1423.6","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O4 -","- C15 H15 Cl O4 -","- C60 H60 Cl4 O16 -","4","1","","Hu, Bao; Xing, Siyang; Wang, Zhongwen","Lewis acid catalyzed ring-opening intramolecular Friedel-Crafts alkylation of methylenecyclopropane 1,1-diesters.","Organic letters","2008","10","23","5481","5484","10.1021/ol802301e","","","0.71073","MoKα","","0.0358","0.034","","","0.0874","0.0892","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504995","6.5256","0.0001","10.4668","0.0002","20.1731","0.0005","90","","90","","90","","1377.87","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.0526","0.0391","","","0.1056","0.138","","","","","","1.347","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504996","10.4888","0.0017","12.241","0.002","12.347","0.002","90","","90","","90","","1585.3","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Avetta, Jr, Christopher T; Konkol, Leah C.; Taylor, Carla N.; Dugan, Karen C.; Stern, Charlotte L.; Thomson, Regan J.","Diastereoselective oxidative carbon-carbon bond formation via silyl bis-enol ethers.","Organic letters","2008","10","24","5621","5624","10.1021/ol802516z","","","0.71073","MoKα","","0.0392","0.0365","","","0.0954","0.0979","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504999","7.9047","0.0005","13.4494","0.0008","18.2343","0.0011","90","","90","","90","","1938.6","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N5 -","- C21 H27 N5 -","- C84 H108 N20 -","4","1","","Crawford, Jason B.; Chen, Gang; Gauthier, David; Wilson, Trevor; Carpenter, Bryon; Baird, Ian R.; McEachern, Ernie; Kaller, Alan; Harwig, Curtis; Atsma, Bem; Skerlj, Renato T.; Bridger, Gary J.","AMD070, a CXCR4 Chemokine Receptor Antagonist: Practical Large-Scale Laboratory Synthesis","Organic Process Research & Development","2008","12","5","823","","10.1021/op8000993","","","0.71069","MoKα","","0.0523","0.0373","","","0.0756","0.0806","","","","","","0.904","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505001","8.9232","0.0006","10.3244","0.0007","12.4802","0.0008","90","","90","","90","","1149.76","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br N3 O -","- C10 H12 Br N3 O -","- C40 H48 Br4 N12 O4 -","4","1","","Loeppky, Richard N.; Shi, Jianzheng; Barnes, Charles L.; Geddam, Sailaja","A diazonium ion cascade from the nitrosation of tolazoline, an imidazoline-containing drug.","Chemical research in toxicology","2008","21","2","295","307","10.1021/tx700317g","","","0.71073","MoKα","","0.0313","0.0238","","","0.0565","0.0588","","","","","","1.014","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505005","15.4764","0.0013","16.426","0.002","30.614","0.002","90","","90","","90","","7782.5","1.3","200","","200","","","","","","","","acetonitrile,water","5","P 21 21 21","P 2ac 2ab","19","","imido-di(3,3'-di(2,4,6-triethylphenyl)-1,1'-binaphthyl-2,2'-dioxy-phosphate) mono-hydrate acetonitrile solute","","- C90 H91 N2 O7 P2 -","- C90 H91 N2 O7 P2 -","- C360 H364 N8 O28 P8 -","4","1","","Čorić, Ilija; List, Benjamin","Asymmetric spiroacetalization catalysed by confined Brønsted acids.","Nature","2012","483","7389","315","319","10.1038/nature10932","","","0.71073","MoKα","","0.1271","0.0718","","","0.1431","0.165","","","","","","1.107","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1505031","6.3428","0.0007","10.563","0.002","31.962","0.006","90","","90","","90","","2141.4","0.6","103","1","103","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O8 -","- C23 H32 O8 -","- C92 H128 O32 -","4","1","","Simpson, Denise S.; Katavic, Peter L.; Lozama, Anthony; Harding, Wayne W.; Parrish, Damon; Deschamps, Jeffrey R.; Dersch, Christina M.; Partilla, John S.; Rothman, Richard B.; Navarro, Hernan; Prisinzano, Thomas E.","Synthetic studies of neoclerodane diterpenes from Salvia divinorum: preparation and opioid receptor activity of salvinicin analogues.","Journal of medicinal chemistry","2007","50","15","3596","3603","10.1021/jm070393d","","","0.71073","MoKα","","0.0443","0.0414","","","0.1203","0.123","","","","","","1.007","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505033","8.6763","0.0005","14.897","0.0009","20.9747","0.0013","90","","90","","90","","2711","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N O6 -","- C28 H35 N O6 -","- C112 H140 N4 O24 -","4","1","","Vyavahare, Vinod P.; Chakraborty, Chaitali; Maity, Biswanath; Chattopadhyay, Subrata; Puranik, Vedavati G.; Dhavale, Dilip D.","Synthesis of 1-deoxy-1-hydroxymethyl- and 1-deoxy-1-epi-hydroxymethyl castanospermine as new potential immunomodulating agents.","Journal of medicinal chemistry","2007","50","22","5519","5523","10.1021/jm070660f","","","0.71073","MoKα","","0.1195","0.0508","","","0.1051","0.1269","","","","","","0.987","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505065","3.759","0.0008","10.307","0.002","17.29","0.004","90","","90","","90","","669.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","","Kolev, Tsonko; Koleva, Bojidarka B.; Spiteller, Michael; Mayer-Figge, Heike; Sheldrick, William S.","2-amino-4-nitroaniline, a known compound with unexpected properties.","The journal of physical chemistry. A","2007","111","40","10084","10089","10.1021/jp068761x","","","0.71073","MoKα","","0.0471","0.0388","","","0.1037","0.1085","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505134","5.7","0.002","19.459","0.008","20.815","0.008","90","","90","","90","","2308.7","1.5","103.15","","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H13 F5 I2 O4 -","- C23 H13 F5 I2 O4 -","- C92 H52 F20 I8 O16 -","4","1","","Sakakibara, Ken; Nakano, Koji; Nozaki, Kyoko","Regioregular Polymerization of Fluorine-Containing Epoxides","Macromolecules","2007","40","17","6136","","10.1021/ma070428j","","","0.7107","MoKα","","0.0643","0.0569","","","0.0947","0.0982","","","","","","1.161","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505216","13.0624","0.0002","29.0453","0.0005","58.4559","0.0011","90","","90","","90","","22178.2","0.7","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 N O4 -","- C19 H29 N O4 -","- C912 H1392 N48 O192 -","48","12","","Stadler, Marc; Bitzer, Jens; Mayer-Bartschmid, Anke; Müller, Hartwig; Benet-Buchholz, Jordi; Gantner, Florian; Tichy, Hans-Volker; Reinemer, Peter; Bacon, Kevin B.","Cinnabaramides A-G: analogues of lactacystin and salinosporamide from a terrestrial streptomycete.","Journal of natural products","2007","70","2","246","252","10.1021/np060162u","","","1.54178","CuKα","","0.1039","0.0781","","","0.1832","0.1989","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505219","7.631","0.0003","12.049","0.0005","14.522","0.0007","90","","90","","90","","1335.24","0.1","298","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Harinantenaina, Liva; Asakawa, Yoshinori; De Clercq, Erik","Cinnamacrins A-C, cinnafragrin D, and cytostatic metabolites with alpha-glucosidase inhibitory activity from Cinnamosma macrocarpa.","Journal of natural products","2007","70","2","277","282","10.1021/np060435l","","","0.71073","MoKα","","0.0624","0.0576","","","0.154","0.1652","","","","","","1.174","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505222","11.0682","0.0006","17.38","0.001","29.355","0.002","90","","90","","90","","5646.9","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40.5 Cl O4.75 -","- C25 H39 Cl O4.75 -","- C200 H312 Cl8 O38 -","8","2","","Nguyen, Hung Phi; Zhang, Dahai; Lee, Uk; Kang, Jung Sook; Choi, Hong Dae; Son, Byeng Wha","Dehydroxychlorofusarielin B, an antibacterial polyoxygenated decalin derivative from the marine-derived fungus Aspergillus sp.","Journal of natural products","2007","70","7","1188","1190","10.1021/np060552g","","","0.71073","MoKα","","0.2537","0.105","","","0.2329","0.3119","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505227","9.186","0.0018","10.212","0.002","54.792","0.011","90","","90","","90","","5139.9","1.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 N O8 -","- C26 H43 N O8 -","- C208 H344 N8 O64 -","8","2","","Gao, Feng; Chen, Qiao-Hong; Wang, Feng-Peng","C19-diterpenoid alkaloids from Aconitum hemsleyanum var. circinatum.","Journal of natural products","2007","70","5","876","879","10.1021/np0700117","","","0.71073","MoKα","","0.0647","0.0621","","","0.1358","0.1391","","","","","","1.099","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505228","10.6156","0.0007","11.2307","0.0007","21.7108","0.0014","90","","90","","90","","2588.4","0.3","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","withametelin I","","","- C28 H40 O8 -","- C28 H40 O8 -","- C112 H160 O32 -","4","1","","Pan, Yuanhu; Wang, Xiaochuan; Hu, Xianming","Cytotoxic withanolides from the flowers of Datura metel.","Journal of natural products","2007","70","7","1127","1132","10.1021/np070096b","","","0.71073","MoKα","","0.0394","0.033","","","0.0614","0.064","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505229","7.687","0.002","14.383","0.004","16.341","0.005","90","","90","","90","","1806.7","0.9","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Wang, Qi; Mu, Qing; Shibano, Makio; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Chen, Dao-Feng","Eremophilane sesquiterpenes from Ligularia macrophylla.","Journal of natural products","2007","70","8","1259","1262","10.1021/np070113x","","","0.71073","MoKα","","0.0429","0.0368","","","0.0914","0.0944","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505231","12.667","0.003","23.829","0.005","8.134","0.004","90","0.03","90","0.03","90","0.02","2455.2","1.4","268","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","N134xvii","Numata 134-XVII (amagata)","","- C28 H40 O3 -","- C28 H40 O3 -","- C112 H160 O12 -","4","1","","Amagata, Taro; Tanaka, Makoto; Yamada, Takeshi; Doi, Mitsunobu; Minoura, Katsuhiko; Ohishi, Hirofumi; Yamori, Takao; Numata, Atsushi","Variation in cytostatic constituents of a sponge-derived Gymnascella dankaliensis by manipulating the carbon source.","Journal of natural products","2007","70","11","1731","1740","10.1021/np070165m","","","1.5418","CuKα","","0.0746","0.0625","","","0.1504","0.1599","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505232","22.038","0.006","34.524","0.01","6.446","0.002","90","","90","","90","","4904","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","gymnasterone D","","","- C28 H38 O2 -","- C28 H38 O2 -","- C224 H304 O16 -","8","2","","Amagata, Taro; Tanaka, Makoto; Yamada, Takeshi; Doi, Mitsunobu; Minoura, Katsuhiko; Ohishi, Hirofumi; Yamori, Takao; Numata, Atsushi","Variation in cytostatic constituents of a sponge-derived Gymnascella dankaliensis by manipulating the carbon source.","Journal of natural products","2007","70","11","1731","1740","10.1021/np070165m","","","1.54178","CuKα","","0.1966","0.1012","","0.3157","0.23","","","","1.168","1.284","1.284","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505233","7.5523","0.0012","11.1218","0.0014","22.853","0.003","90","","90","","90","","1919.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O7 S3 -","- C18 H20 N2 O7 S3 -","- C72 H80 N8 O28 S12 -","4","1","","Zhang, Yonggang; Liu, Shuchun; Che, Yongsheng; Liu, Xingzhong","Epicoccins A-D, epipolythiodioxopiperazines from a Cordyceps-colonizing isolate of Epicoccum nigrum.","Journal of natural products","2007","70","9","1522","1525","10.1021/np070239u","","","0.7107","MoKα","","0.0414","0.0375","","","0.0751","0.0799","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505246","9.6762","0.001","11.9288","0.0013","19.077","0.002","90","","90","","90","","2202","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Shing, Tony K. M.; Wong, Wai F.; Ikeno, Taketo; Yamada, Tohru","trans-acetonide controlled endo-selective intramolecular nitrone-alkene cycloaddition of hept-6-enoses: a facile entry to calystegines, tropanes, and hydroxylated aminocycloheptanes.","Organic letters","2007","9","2","207","209","10.1021/ol062621o","","","0.71073","MoKα","","0.1418","0.0545","","","0.1338","0.1916","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505247","8.3847","0.0017","10.637","0.002","22.556","0.005","90","","90","","90","","2011.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H33 N O4 Si -","- C17 H33 N O4 Si -","- C68 H132 N4 O16 Si4 -","4","1","","Shing, Tony K. M.; Wong, Wai F.; Ikeno, Taketo; Yamada, Tohru","trans-acetonide controlled endo-selective intramolecular nitrone-alkene cycloaddition of hept-6-enoses: a facile entry to calystegines, tropanes, and hydroxylated aminocycloheptanes.","Organic letters","2007","9","2","207","209","10.1021/ol062621o","","","0.71073","MoKα","","0.2339","0.0666","","","0.1517","0.2074","","","","","","0.941","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505251","6.2966","0.0001","12.3168","0.0003","26.7947","0.0007","90","","90","","90","","2078.04","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-(1R,2S,6R,7R,10R)-1,10-dibromotricyclo[5.2.2.0^2,6^]undeca-4,8-diene","","- C11 H12 Br2 -","- C11 H12 Br2 -","- C88 H96 Br16 -","8","2","","Su, Kuan-Jen; Mieusset, Jean-Luc; Arion, Vladimir B.; Brecker, Lothar; Brinker, Udo H.","Cope rearrangement versus a novel tandem retro-Diels-Alder-Diels-Alder reaction with role reversal.","Organic letters","2007","9","1","113","115","10.1021/ol0626793","","","0.71073","MoKα","","0.0409","0.0261","","","0.0435","0.0473","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505258","16.382","0.002","17.248","0.002","6.272","0.003","90","","90","","90","","1772.2","0.9","203.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 S -","- C23 H20 S -","- C92 H80 S4 -","4","1","","Hua, Ruimao; Takeda, Hideaki; Onozawa, Shun-ya; Abe, Yoshimoto; Tanaka, Masato","Nickel-catalyzed thioallylation of alkynes with allyl phenyl sulfides.","Organic letters","2007","9","2","263","266","10.1021/ol062686r","","","0.7107","MoKα","","","0.0412","","","","0.1035","","","","","","1.078","","","","has coordinates,has disorder","201954","2020-10-21","18:00:00",""
"1505260","6.751","","11.662","","23.577","","90","","90","","90","","1856.22","","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Xu, Gang; Hou, Ai-Jun; Zheng, Yong-Tang; Zhao, Yu; Li, Xiao-Li; Peng, Li-Yan; Zhao, Qin-Shi","Przewalskin B, a novel diterpenoid with an unprecedented skeleton from Salvia przewalskii maxim.","Organic letters","2007","9","2","291","293","10.1021/ol062748d","","","0.71073","MoKα","","0.1436","0.0752","","","0.1421","0.1671","","","","","","0.91","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505263","6.0896","0.0011","22.401","0.004","26.176","0.005","90","","90","","90","","3570.8","1.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 O6 -","- C42 H48 O6 -","- C168 H192 O24 -","4","1","","Ko, Haye Min; Lee, Dong Gil; Kim, Min Ah; Kim, Hak Joong; Park, Jaejoon; Lah, Myoung Soo; Lee, Eun","Total synthesis of (-)-blepharocalyxin D.","Organic letters","2007","9","1","141","144","10.1021/ol0627956","","","0.71073","MoKα","","0.1181","0.0691","","","0.1265","0.1417","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505267","7.848","0.0002","12.7189","0.0003","15.2177","0.0004","90","","90","","90","","1519","0.07","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Cl Ir N O -","- C15 H19 Cl Ir N O -","- C60 H76 Cl4 Ir4 N4 O4 -","4","1","","Fujita, Ken-ichi; Tanino, Nobuhide; Yamaguchi, Ryohei","Ligand-promoted dehydrogenation of alcohols catalyzed by Cp*Ir complexes. A new catalytic system for oxidant-free oxidation of alcohols.","Organic letters","2007","9","1","109","111","10.1021/ol062806v","","","0.71075","MoKα","","","0.0334","","","","0.0374","","","","","","1.089","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505268","11.7745","0.0002","16.8129","0.0003","19.8021","0.0004","90","","90","","90","","3920.09","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 O7 S -","- C47 H50 O7 S -","- C188 H200 O28 S4 -","4","1","","Yakovenko, Anton V.; Boyko, Vyacheslav I.; Danylyuk, Oksana; Suwinska, Kinga; Lipkowski, Janusz; Kalchenko, Vitaly I.","Diastereoselective lower rim (1S)-camphorsulfonylation as the shortest way to the inherently chiral calix[4]arene.","Organic letters","2007","9","7","1183","1185","10.1021/ol0628513","","","0.71073","MoKα","","0.0487","0.0346","","","0.0675","0.0698","","","","","","0.961","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505276","8.6357","0.0017","9.0665","0.0018","15.412","0.003","90","","90","","90","","1206.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","","Shing, Tony K. M.; Wong, Wai F.; Cheng, Hau M.; Kwok, Wun S.; So, King H.","Intramolecular nitrile oxide-alkene cycloaddition of sugar derivatives with unmasked hydroxyl group(s).","Organic letters","2007","9","5","753","756","10.1021/ol062873p","","","0.71073","MoKα","","0.0861","0.0487","","","0.1319","0.1497","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505277","8.0623","0.0012","10.3743","0.0016","15.809","0.002","90","","90","","90","","1322.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","","Shing, Tony K. M.; Wong, Wai F.; Cheng, Hau M.; Kwok, Wun S.; So, King H.","Intramolecular nitrile oxide-alkene cycloaddition of sugar derivatives with unmasked hydroxyl group(s).","Organic letters","2007","9","5","753","756","10.1021/ol062873p","","","0.71073","MoKα","","0.0863","0.0419","","","0.101","0.1241","","","","","","0.998","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505281","8.6266","0.0017","14.638","0.003","19.114","0.004","90","","90","","90","","2413.6","0.9","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N2 O3 -","- C26 H36 N2 O3 -","- C104 H144 N8 O12 -","4","1","","Sünnemann, Hans Wolf; Hofmeister, Anja; Magull, Jörg; Banwell, Martin G.; de Meijere, Armin","Stille/Diels-Alder reaction sequences: diversity-oriented access to novel steroids.","Organic letters","2007","9","3","517","520","10.1021/ol062878m","","","0.71073","MoKα","","0.0413","0.0341","","","0.0715","0.0738","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505282","5.9811","0.0002","11.312","0.0003","33.5143","0.001","90","","90","","90","","2267.52","0.12","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O6 -","- C26 H36 O6 -","- C104 H144 O24 -","4","1","","Sünnemann, Hans Wolf; Hofmeister, Anja; Magull, Jörg; Banwell, Martin G.; de Meijere, Armin","Stille/Diels-Alder reaction sequences: diversity-oriented access to novel steroids.","Organic letters","2007","9","3","517","520","10.1021/ol062878m","","","0.71073","MoKα","","0.0282","0.026","","","0.0652","0.0662","","","","","","0.996","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505292","7.3631","0.0007","7.7051","0.0007","41.717","0.004","90","","90","","90","","2366.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 B Br N -","- C12 H13 B Br N -","- C96 H104 B8 Br8 N8 -","8","2","","Pan, Jun; Kampf, Jeff W.; Ashe, 3rd, Arthur J","Electrophilic aromatic substitution reactions of 1,2-dihydro-1,2-azaborines.","Organic letters","2007","9","4","679","681","10.1021/ol062968r","","","0.71073","MoKα","","0.0326","0.031","","","0.0719","0.0724","","","","","","1.24","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505303","12.8832","0.0008","14.0578","0.0009","20.2839","0.0013","90","","90","","90","","3673.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cl2 I2 N4 Pd -","- C37 H36 Cl2 I2 N4 Pd -","- C148 H144 Cl8 I8 N16 Pd4 -","4","1","","Chen, Tao; Jiang, Jia-Jun; Xu, Qin; Shi, Min","Axially chiral NHC-Pd(II) complexes in the oxidative kinetic resolution of secondary alcohols using molecular oxygen as a terminal oxidant.","Organic letters","2007","9","5","865","868","10.1021/ol063061w","","","0.71073","MoKα","","0.0741","0.0543","","","0.1246","0.1327","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505305","6.5707","0.0006","8.7506","0.0008","15.3161","0.0014","90","","90","","90","","880.64","0.14","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","1","","Clark, J. Stephen; Grainger, Damian M.; Ehkirch, Alexandra A.-C.; Blake, Alexander J.; Wilson, Claire","Synthesis of the fused polyether core of hemibrevetoxin B by two-directional ring-closing metathesis.","Organic letters","2007","9","6","1033","1036","10.1021/ol0630651","","","0.71073","MoKα","","0.0313","0.0303","","","0.079","0.08","","","","","","1.13","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505308","9.695","0.0017","10.0104","0.0017","15.698","0.003","90","","90","","90","","1523.5","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","1","","Clark, J. Stephen; Grainger, Damian M.; Ehkirch, Alexandra A.-C.; Blake, Alexander J.; Wilson, Claire","Synthesis of the fused polyether core of hemibrevetoxin B by two-directional ring-closing metathesis.","Organic letters","2007","9","6","1033","1036","10.1021/ol0630651","","","0.71073","MoKα","","0.0454","0.0396","","","0.1055","0.1112","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505312","6.5872","0.0002","9.5697","0.0002","20.8343","0.0005","90","","90","","90","","1313.34","0.06","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-hydroxy-4-[(1-phenylthio)cyclobutyl]-2-butanone","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C56 H72 O8 S4 -","4","1","","Bernard, Angela M.; Frongia, Angelo; Guillot, Regis; Piras, Pier P.; Secci, Francesco; Spiga, Marco","l-Proline-catalyzed direct intermolecular asymmetric aldol reactions of 1-phenylthiocycloalkyl carboxaldehydes with ketones. Easy access to spiro- and fused-cyclobutyl tetrahydrofurans and cyclopentanones.","Organic letters","2007","9","3","541","544","10.1021/ol063084a","","x-ray","0.71073","MoKα","","0.0339","0.0288","","","0.0736","0.0761","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505315","9.635","0.002","10.304","0.002","19.145","0.004","90","","90","","90","","1900.7","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 O Si -","- C24 H22 O Si -","- C96 H88 O4 Si4 -","4","1","","Shen, Ruichao; Corey, E. J.","Studies of the stereochemistry of [2+2]-photocycloaddition reactions of 2-cyclohexenones with olefins.","Organic letters","2007","9","6","1057","1059","10.1021/ol063092r","","","0.71073","MoKα","","0.0407","0.0392","","","0.1005","0.1012","","","","","","1.082","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505322","9.4071","0.0012","11.3293","0.0016","12.9898","0.0016","90","","90","","90","","1384.4","0.3","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 B P -","- C15 H18 B P -","- C60 H72 B4 P4 -","4","1","","Brunker, Tim J.; Anderson, Brian J.; Blank, Natalia F.; Glueck, David S.; Rheingold, Arnold L.","Enantioselective synthesis of P-stereogenic benzophospholanes via palladium-catalyzed intramolecular cyclization.","Organic letters","2007","9","6","1109","1112","10.1021/ol0700512","","","0.71073","MoKα","","0.0478","0.0428","","","0.1105","0.1139","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505327","6.5548","0.0002","11.6014","0.0004","22.6301","0.0008","90","","90","","90","","1720.9","0.1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl2 N2 O -","- C18 H22 Cl2 N2 O -","- C72 H88 Cl8 N8 O4 -","4","1","","Miller, Kenneth A.; Martin, Stephen F.","Concise, enantioselective total synthesis of (-)-alstonerine.","Organic letters","2007","9","6","1113","1116","10.1021/ol0700761","","","0.71073","MoKα","","0.0638","0.0456","","","0.102","0.1115","","","","","","1.084","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505347","6.0929","0.0004","15.5857","0.0011","22.3343","0.0016","90","","90","","90","","2120.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C80 H128 O32 -","8","2","","Knapp, Spencer; Yu, Younong","Synthesis of the oxygenated pactamycin core.","Organic letters","2007","9","7","1359","1362","10.1021/ol0702472","","","0.71073","MoKα","","0.062","0.0475","","","0.1059","0.1136","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505356","4.9615","0.0015","9.864","0.003","46.603","0.015","90","","90","","90","","2280.8","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GRp-Cl","","","- C29 H23 Cl N2 O -","- C29 H23 Cl N2 O -","- C116 H92 Cl4 N8 O4 -","4","1","","Rowland, Gerald B.; Rowland, Emily B.; Liang, Yuxue; Perman, Jason A.; Antilla, Jon C.","The highly enantioselective addition of indoles to N-acyl imines with use of a chiral phosphoric acid catalyst.","Organic letters","2007","9","14","2609","2611","10.1021/ol0703579","","","0.71073","MoKα","","0.0912","0.0737","","","0.1512","0.1628","","","","","","1.167","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505357","8.7778","0.0004","14.5771","0.0006","18.0574","0.0008","90","","90","","90","","2310.53","0.17","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Aza-5,5-dimethyl-10-ethoxycarbonyltricyclo[10.4.0.0(superscript 3,8)] hexadeca-3(8),10,12,14,16-pentaen-7-one","","- C24 H31 N O5 -","- C24 H31 N O5 -","- C96 H124 N4 O20 -","4","1","","Basavaiah, Deevi; Aravindu, Kunche","The Baylis-Hillman acetates as a valuable source for one-pot multistep synthesis: a facile synthesis of functionalized tri-/tetracyclic frameworks containing azocine moiety.","Organic letters","2007","9","13","2453","2456","10.1021/ol070380u","","","0.71073","MoKα","","0.0595","0.0494","","","0.1445","0.1525","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505377","8.5183","0.0008","10.7917","0.001","16.3","0.0015","90","","90","","90","","1498.4","0.2","100","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Br2 O5 -","- C13 H18 Br2 O5 -","- C52 H72 Br8 O20 -","4","1","","Khan, Faiz Ahmed; Rao, G. Hari Mangeswara; Satapathy, Rashmirekha; Parasuraman, Karuppasamy","Serendipitously discovered diazomethane-mediated novel molecular rearrangements of norbornyl alpha-ketohemiketals.","Organic letters","2007","9","8","1581","1584","10.1021/ol070442g","","","0.71073","MoKα","","0.0526","0.0421","","","0.0898","0.1116","","","","","","1.122","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505386","9.6672","0.0004","15.3296","0.0007","22.8756","0.0011","90","","90","","90","","3390","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H42 O6 S3 -","- C39 H42 O6 S3 -","- C156 H168 O24 S12 -","4","1","","Lélias-Vanderperre, Anne; Chambron, Jean-Claude; Espinosa, Enrique; Terrier, Peran; Leize-Wagner, Emmanuelle","Macrotricycles featuring a pi-basic tetrahedral cavity: preference for NH4+ detected by electrospray ionization mass spectrometry.","Organic letters","2007","9","16","2961","2964","10.1021/ol070498a","","","0.71073","MoKα","","0.029","0.0268","","","0.0663","0.0675","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505401","4.5818","0.0013","13.616","0.004","36.927","0.01","90","","90","","90","","2303.7","1.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O6 -","- C26 H32 O6 -","- C104 H128 O24 -","4","1","","Clark, J. Stephen; Conroy, Joanne; Blake, Alexander J.","Rapid synthesis of the A-E fragment of ciguatoxin CTX3C.","Organic letters","2007","9","11","2091","2094","10.1021/ol0706096","","","0.7848","synchrotron","","0.0601","0.0448","","","0.103","0.113","","","","","","1.11","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505405","8.7448","0.0002","13.9102","0.0003","14.4931","0.0003","90","","90","","90","","1762.97","0.07","220","2","220","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Cl3 N O4 S2 -","- C13 H16 Cl3 N O4 S2 -","- C52 H64 Cl12 N4 O16 S8 -","4","1","","Zajac, Marian; Peters, René","Catalytic asymmetric formation of beta-sultams.","Organic letters","2007","9","10","2007","2010","10.1021/ol070644c","","","0.7107","MoKα","","0.0335","0.0305","","","0.0803","0.0827","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505408","9.857","0.003","12.751","0.005","31.634","0.009","90","","90","","90","","3976","2","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N4 O6 -","- C17 H24 N4 O6 -","- C136 H192 N32 O48 -","8","2","","Snyder, Seth E.; Volkers, Phillip I.; Engebretson, David A.; Lee, Wonjae; Pirkle, William H.; Carey, James R.","Strong enantioselective self-recognition of a small chiral molecule.","Organic letters","2007","9","12","2341","2343","10.1021/ol070703m","","","0.71073","MoKα","","0.0988","0.0587","","","0.1526","0.1976","","","","","","1.106","","","","has coordinates","189977","2020-10-21","18:00:00",""
"1505412","11.0209","0.0002","12.2273","0.0002","31.3304","0.0004","90","","90","","90","","4221.95","0.12","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H66 O11 S Si2 -","- C36 H66 O11 S Si2 -","- C144 H264 O44 S4 Si8 -","4","1","","Kim, Youngsoon; Fuchs, Philip L.","Lactol-directed osmylation. Stereodivergent synthesis of four C-19,20 apoptolidin diols from a single allylic hemiacetal.","Organic letters","2007","9","13","2445","2448","10.1021/ol0707564","","","0.71073","MO-Kα","","0.056","0.044","","","0.09","0.095","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505414","6.725","","13.858","","16.061","","90","","90","","90","","1496.81","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 I N O4 -","- C14 H16 I N O4 -","- C56 H64 I4 N4 O16 -","4","1","","Pattarozzi, Mariella; Zonta, Cristiano; Broxterman, Quirinus B.; Kaptein, Bernard; De Zorzi, Rita; Randaccio, Lucio; Scrimin, Paolo; Licini, Giulia","Stereoselective iodocyclization of (S)-allylalanine derivatives: gamma-lactone vs cyclic carbamate formation.","Organic letters","2007","9","12","2365","2368","10.1021/ol070764k","","","0.71073","MoKα","","0.0627","0.0536","","","0.1444","0.1534","","","","","","1.069","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505416","6.0607","0.0008","15.52","0.002","20.018","0.003","90","","90","","90","","1882.9","0.4","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cmc0546b","","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C80 H120 N8 O12 -","4","1","","Song, Zhenlei; Hsung, Richard P.","A formal total synthesis of (+)-zincophorin. Observation of an unusual urea-directed Stork-Crabtree hydrogenation.","Organic letters","2007","9","11","2199","2202","10.1021/ol070791a","","","0.49594","synchrotron","","0.0463","0.044","","","0.1211","0.1228","","","","","","1.128","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505420","9.848","0.0007","9.704","0.0007","30.58","0.002","90","","90","","90","","2922.4","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 F2 O7 -","- C31 H34 F2 O7 -","- C124 H136 F8 O28 -","4","1","","Moreno, Benjamin; Quehen, Cindy; Rose-Hélène, Maureen; Leclerc, Eric; Quirion, Jean-Charles","Addition of difluoromethyl radicals to glycals: a new route to alpha-CF2-D-glycosides.","Organic letters","2007","9","13","2477","2480","10.1021/ol070835f","","x-ray","0.71073","MoKα","","0.0604","0.042","","","0.073","0.0769","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505425","6.1304","0.0006","10.4292","0.001","11.9236","0.0011","90","","90","","90","","762.34","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 Cl N O3 -","- C5 H8 Cl N O3 -","- C20 H32 Cl4 N4 O12 -","4","1","","Thomas, P. J.; Axtell, Alex T.; Klosin, Jerzy; Peng, Wei; Rand, Cynthia L.; Clark, Thomas P.; Landis, Clark R.; Abboud, Khalil A.","Asymmetric hydroformylation of vinyl acetate: application in the synthesis of optically active isoxazolines and imidazoles.","Organic letters","2007","9","14","2665","2668","10.1021/ol070900l","","","0.71073","MoKα","","0.0325","0.0319","","","0.0787","0.0793","","","","","","1.084","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505433","6.195","0.0011","17.387","0.003","19.004","0.003","90","","90","","90","","2047","0.6","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O6 -","- C25 H24 O6 -","- C100 H96 O24 -","4","1","","Takikawa, Hiroshi; Suzuki, Keisuke","Modified chiral triazolium salts for enantioselective benzoin cyclization of enolizable keto-aldehydes: synthesis of (+)-sappanone B.","Organic letters","2007","9","14","2713","2716","10.1021/ol070929p","","x-ray","0.71073","MoKα","","0.1234","0.0508","","","0.0842","0.0986","","","","","","0.841","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505434","6.3","0.001","13.636","0.002","21.235","0.004","90","","90","","90","","1824.2","0.5","223.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O5 -","- C21 H24 O5 -","- C84 H96 O20 -","4","1","","Takikawa, Hiroshi; Suzuki, Keisuke","Modified chiral triazolium salts for enantioselective benzoin cyclization of enolizable keto-aldehydes: synthesis of (+)-sappanone B.","Organic letters","2007","9","14","2713","2716","10.1021/ol070929p","","","1.5419","CuKα","","","0.0667","","","","0.1814","","","","","","1.877","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505470","10.055","0.002","10.084","0.002","20.606","0.002","90","","90","","90","","2089.3","0.6","294","2","294","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N2 O4 S -","- C23 H26 N2 O4 S -","- C92 H104 N8 O16 S4 -","4","1","","Amat, Mercedes; Santos, Maria M. M.; Gómez, Antonia M; Jokic, Danica; Molins, Elies; Bosch, Joan","Enantioselective spirocyclizations from tryptophanol-derived oxazolopiperidone lactams.","Organic letters","2007","9","15","2907","2910","10.1021/ol0712327","","x-ray","0.71073","MoKα","","0.0584","0.0377","","","0.0898","0.0991","","","","","","1.076","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505476","10.917","0.002","13.554","0.003","38.189","0.007","90","","90","","90","","5650.8","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49.5 H61.5 Br4 Cl4.5 O4.5 -","- C49.5 H61.5 Br4 Cl4.5 O4.5 -","- C198 H246 Br16 Cl18 O18 -","4","1","","Columbus, Ishay; Biali, Silvio E.","The nucleophilic substitution route. A facile method for the fourfold functionalization of the methylene bridges of calix[4]arene.","Organic letters","2007","9","15","2927","2929","10.1021/ol0713178","","","0.71073","MoKα","","0.0958","0.0648","","","0.1811","0.1896","","","","","","0.988","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505486","11.7543","0.0007","13.8627","0.0009","8.3208","0.0006","90","","90","","90","","1355.84","0.15","200.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Tanaka, Masahiro; Ubukata, Minoru; Matsuo, Takafumi; Yasue, Katsutaka; Matsumoto, Katsuya; Kajimoto, Yasuyuki; Ogo, Takashi; Inaba, Takashi","One-step synthesis of heteroaromatic-fused pyrrolidines via cyclopropane ring-opening reaction: application to the PKCbeta inhibitor JTT-010.","Organic letters","2007","9","17","3331","3334","10.1021/ol071336h","","","1.54178","CuKα","","","0.0327","","","","0.1113","","","","","","1.056","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505500","9.6096","0.0004","11.4063","0.0005","24.2743","0.0011","90","","90","","90","","2660.7","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,4S,5R,8S)-4,8-bis(dimethylbenzylammonium)-2,6-dioxabicyclo [3.3.0] octane iodide‒water (1/1)","","- C24 H36 I2 N2 O3 -","- C24 H36 I2 N2 O3 -","- C96 H144 I8 N8 O12 -","4","1","","Kumar, Vineet; Olsen, Carl E.; Schäffer, Susan J C; Parmar, Virinder S.; Malhotra, Sanjay V.","Synthesis and applications of novel bis(ammonium) chiral ionic liquids derived from isomannide.","Organic letters","2007","9","20","3905","3908","10.1021/ol071390y","","","0.71073","MoKα","","0.0211","0.0206","","","0.0481","0.0488","","","","","","1.125","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505507","8.525","0.0009","12.077","0.0014","25.174","0.003","90","","90","","90","","2591.8","0.5","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CG-712","","","- C28 H36 N2 O7 -","- C28 H36 N2 O7 -","- C112 H144 N8 O28 -","4","1","","Gilley, Cynthia B.; Buller, Matthew J.; Kobayashi, Yoshihisa","New entry to convertible isocyanides for the Ugi reaction and its application to the stereocontrolled formal total synthesis of the proteasome inhibitor omuralide.","Organic letters","2007","9","18","3631","3634","10.1021/ol701446y","","","0.71073","MoKα","","0.0506","0.0427","","","0.0899","0.0928","","","","","","1.09","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1505520","8.0014","0.0001","8.2641","0.0002","28.8922","0.0006","90","","90","","90","","1910.48","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O9 -","- C20 H19 N O9 -","- C80 H76 N4 O36 -","4","1","","Matveenko, Maria; Kokas, Okanya J.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic approaches to lycorine-type Amaryllidaceae alkaloids: total syntheses of ent-lycoricidine, 3-epi-ent-lycoricidine, and 4-deoxy-3-epi-ent-lycoricidine.","Organic letters","2007","9","18","3683","3685","10.1021/ol701552r","","","0.71073","MoKα","","0.0428","0.029","","0.0389","0.0339","0.0339","","","","","","1.1637","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505521","5.849","0.0001","16.363","0.0004","20.729","0.0005","90","","90","","90","","1983.91","0.08","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","1","","Hong, Young-Taek; Cho, Chang-Woo; Skucas, Eduardas; Krische, Michael J.","Enantioselective reductive coupling of 1,3-enynes to glyoxalates mediated by hydrogen: asymmetric synthesis of beta,gamma-unsaturated alpha-hydroxy esters.","Organic letters","2007","9","19","3745","3748","10.1021/ol7015548","","","0.71073","MoKα","","0.1029","0.0525","","","0.1014","0.1175","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505533","5.826","0.0001","10.946","0.0003","28.979","0.0007","90","","90","","90","","1848.03","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H32 O5 S -","- C16 H32 O5 S -","- C64 H128 O20 S4 -","4","1","","Colobert, Françoise; Choppin, Sabine; Ferreiro-Mederos, Leticia; Obringer, Michel; Arratta, Sandra Luengo; Urbano, Antonio; Carreño, M Carmen","Polysubstituted oxygen heterocycles by a Reformatsky-type reaction/reductive cyclization approach from enantiopure beta-ketosulfoxides.","Organic letters","2007","9","22","4451","4454","10.1021/ol701670g","","","0.71073","MoKα","","0.0508","0.0399","","","0.0767","0.0808","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505534","9.8046","0.0008","14.0001","0.0012","26.276","0.002","90","","90","","90","","3606.8","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","07026","","","- C38 H47 N O10 S -","- C38 H47 N O10 S -","- C152 H188 N4 O40 S4 -","4","1","","Oppenheimer, Jossian; Hsung, Richard P.; Figueroa, Ruth; Johnson, Whitney L.","Stereochemical control of both C-C and C-N axial chirality in the synthesis of chiral N,O-biaryls.","Organic letters","2007","9","20","3969","3972","10.1021/ol701692m","","","0.71073","MoKα","","0.0531","0.0442","","","0.1204","0.1306","","","","","","1.017","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505537","7.1088","0.001","8.1024","0.0011","22.341","0.003","90","","90","","90","","1286.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Shi, Min; Tang, Xiang-Ying; Yang, Yong-Hua","Lewis acid mediated reactions of 1-cyclopropyl-2-arylethanones with allenic esters: a facile synthetic protocol for the preparation of dihydrofuro[2,3-h]chromen-2-one derivatives.","Organic letters","2007","9","20","4017","4020","10.1021/ol701713y","","","0.71073","MoKα","","0.0526","0.0399","","","0.0852","0.0886","","","","","","0.918","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505544","7.1777","0.0003","10.2206","0.0005","18.6229","0.0009","90","","90","","90","","1366.18","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","00135M","","","- C14 H16 Br N O3 -","- C14 H16 Br N O3 -","- C56 H64 Br4 N4 O12 -","4","1","","Ko, Changhong; Hsung, Richard P.; Al-Rashid, Ziyad F; Feltenberger, John B.; Lu, Ting; Yang, Jin-Haek; Wei, Yonggang; Zificsak, Craig A.","A stereoselective intramolecular halo-etherification of chiral enamides in the synthesis of halogenated cyclic ethers.","Organic letters","2007","9","22","4459","4462","10.1021/ol701768n","","","0.71073","MoKα","","0.0272","0.0248","","","0.0566","0.0578","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505561","12.5267","0.001","12.6609","0.001","21.3678","0.0017","90","","90","","90","","3388.9","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 N O5 S -","- C36 H45 N O5 S -","- C144 H180 N4 O20 S4 -","4","1","","Harmata, Michael; Chen, Yugang; Barnes, Charles L.","Benzothiazines in organic synthesis. Stereoselectivity in the intermolecular Michael addition reactions of benzothiazines.","Organic letters","2007","9","23","4701","4704","10.1021/ol701863y","","","0.71073","MoKα","","0.0387","0.0332","","","0.0782","0.081","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505569","6.3792","0.0005","9.5181","0.0009","22.6948","0.0019","90","","90","","90","","1378","0.2","150","2","150","2","","","","","","","Ralph Lumby, reaction RJL2/6MAD","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","Lumby, Ralph J. R.; Joensuu, Pekka M.; Lam, Hon Wai","Diastereoselective intermolecular cobalt-catalyzed reductive aldol reactions of alpha,beta-unsaturated amides with ketones.","Organic letters","2007","9","21","4367","4370","10.1021/ol701980e","","","0.71073","MoKα","","0.0551","0.0345","","","0.0637","0.0683","","","","","","0.949","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1505578","11.1746","0.0003","11.3015","0.0003","14.1456","0.0005","90","","90","","90","","1786.44","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Br N2 O2 S -","- C16 H25 Br N2 O2 S -","- C64 H100 Br4 N8 O8 S4 -","4","1","","Zhao, Baoguo; Yuan, Weicheng; Du, Haifeng; Shi, Yian","Cu(I)-catalyzed intermolecular diamination of activated terminal olefins.","Organic letters","2007","9","24","4943","4945","10.1021/ol702061s","","","0.71073","MoKα","","0.1145","0.0642","","","0.1294","0.1525","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505581","5.1439","0.0005","12.3424","0.0012","15.4385","0.0015","90","","90","","90","","980.16","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Cl N O -","- C10 H12 Cl N O -","- C40 H48 Cl4 N4 O4 -","4","1","","Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.","New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.","Organic letters","2007","9","25","5171","5174","10.1021/ol702097q","","","0.71073","MoKα","","0.0496","0.0448","","","0.0994","0.102","","","","","","1.084","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505584","8.1991","0.0007","8.786","0.0008","23.326","0.002","90","","90","","90","","1680.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Cl N O8 -","- C14 H20 Cl N O8 -","- C56 H80 Cl4 N4 O32 -","4","1","","Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.","New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.","Organic letters","2007","9","25","5171","5174","10.1021/ol702097q","","","0.71073","MoKα","","0.0527","0.0468","","","0.0992","0.102","","","","","","1.098","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505585","8.3733","0.0008","9.3073","0.0009","22.912","0.0002","90","","90","","90","","1785.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Cl N O8 -","- C14 H20 Cl N O8 -","- C56 H80 Cl4 N4 O32 -","4","1","","Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.","New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.","Organic letters","2007","9","25","5171","5174","10.1021/ol702097q","","","0.71073","MoKα","","0.0711","0.0559","","","0.1099","0.1157","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505587","13.4998","0.0002","14.643","0.0002","16.4422","0.0003","90","","90","","90","","3250.25","0.09","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 N O5 -","- C35 H49 N O5 -","- C140 H196 N4 O20 -","4","1","","Pettersson, Martin; Knueppel, Daniel; Martin, Stephen F.","Concise, stereoselective approach to the spirooxindole ring system of citrinadin A.","Organic letters","2007","9","22","4623","4626","10.1021/ol702132v","","","0.71073","MoKα","","0.0667","0.0487","","","0.1127","0.123","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505596","8.4962","0.0016","9.3365","0.0018","23.868","0.004","90","","90","","90","","1893.3","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br N O6 -","- C22 H18 Br N O6 -","- C88 H72 Br4 N4 O24 -","4","1","","Su, Shun; Porco, Jr, John A","1,2-dihydroisoquinolines as templates for cascade reactions to access isoquinoline alkaloid frameworks.","Organic letters","2007","9","24","4983","4986","10.1021/ol702176h","","","0.71073","MoKα","","0.1035","0.0465","","","0.0831","0.0897","","","","","","0.828","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505623","5.3133","0.0008","8.0571","0.0011","36.533","0.005","90","","90","","90","","1564","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","","Nasveschuk, Christopher G.; Frein, Jeffrey D.; Jui, Nathan T.; Rovis, Tomislav","A diastereoselective intermolecular heck reaction of 1,3-dioxepins.","Organic letters","2007","9","24","5099","5102","10.1021/ol702294u","","","0.71073","MoKα","","0.2461","0.0861","","","0.1656","0.2244","","","","","","0.937","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505642","6.8425","0.0009","15.5174","0.0019","26.14","0.003","90","","90","","90","","2775.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H19 F2 N3 O12 -","- C28 H19 F2 N3 O12 -","- C112 H76 F8 N12 O48 -","4","1","","Yang, Yan-Yan; Xu, Jun; You, Zheng-Wei; Xu, Xiu-Hua; Qiu, Xiao-Long; Qing, Feng-Ling","Synthesis of 3',3'-difluoro-2'- hydroxymethyl-4',5'-unsaturated carbocyclic nucleosides.","Organic letters","2007","9","26","5437","5440","10.1021/ol7023955","","","0.71073","MoKα","","0.1057","0.0604","","","0.1261","0.1461","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505649","5.3752","0.0004","8.487","0.0006","21.9878","0.0016","90","","90","","90","","1003.07","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N O S -","- C10 H12 N O S -","- C40 H48 N4 O4 S4 -","4","1","","Harmata, Michael; Zheng, Pinguan","A stereospecific synthesis of chiral cyclic sulfinamides.","Organic letters","2007","9","25","5251","5253","10.1021/ol7024394","","","0.71073","MoKα","","0.031","0.0303","","","0.0837","0.0843","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505650","6.9809","0.0013","9.8145","0.0018","29.979","0.005","90","","90","","90","","2054","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O2 S -","- C21 H31 N O2 S -","- C84 H124 N4 O8 S4 -","4","1","","Harmata, Michael; Zheng, Pinguan","A stereospecific synthesis of chiral cyclic sulfinamides.","Organic letters","2007","9","25","5251","5253","10.1021/ol7024394","","","0.71073","MoKα","","0.0835","0.0549","","","0.1081","0.1193","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505655","6.3427","0.0001","11.2959","0.0002","16.3905","0.0004","90","","90","","90","","1174.32","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Okamoto, Iwao; Yamasaki, Ryu; Sawamura, Mika; Kato, Takako; Nagayama, Naomi; Takeya, Tetsuya; Tamura, Osamu; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Tanatani, Aya","Redox-induced conformational alteration of n,n-diarylamides.","Organic letters","2007","9","26","5545","5547","10.1021/ol702504x","","","0.71073","MoKα","","0.0593","0.0457","","","0.1279","0.1418","","","","","","0.953","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505656","11.58","0.01","15.72","0.03","6.701","0.007","90","","90","","90","","1220","3","298.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Okamoto, Iwao; Yamasaki, Ryu; Sawamura, Mika; Kato, Takako; Nagayama, Naomi; Takeya, Tetsuya; Tamura, Osamu; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Tanatani, Aya","Redox-induced conformational alteration of n,n-diarylamides.","Organic letters","2007","9","26","5545","5547","10.1021/ol702504x","","","0.7107","MoKα","","","0.0589","","","","0.1601","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505658","11.978","0.014","14.62","0.03","14.881","0.018","90","","90","","90","","2606","7","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Fe N3 P -","- C32 H28 Fe N3 P -","- C128 H112 Fe4 N12 P4 -","4","1","","Fukuzawa, Shin-ichi; Oki, Hiroshi; Hosaka, Mitsuteru; Sugasawa, Jun; Kikuchi, Satoshi","ClickFerrophos: new chiral ferrocenyl phosphine ligands synthesized by click chemistry and the use of their metal complexes as catalysts for asymmetric hydrogenation and allylic substitution.","Organic letters","2007","9","26","5557","5560","10.1021/ol702519f","","","0.7107","MoKα","","","0.0544","","","","0.0545","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505659","10.135","0.018","10.972","0.011","23.73","0.02","90","","90","","90","","2639","6","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Fe N3 P -","- C32 H28 Fe N3 P -","- C128 H112 Fe4 N12 P4 -","4","1","","Fukuzawa, Shin-ichi; Oki, Hiroshi; Hosaka, Mitsuteru; Sugasawa, Jun; Kikuchi, Satoshi","ClickFerrophos: new chiral ferrocenyl phosphine ligands synthesized by click chemistry and the use of their metal complexes as catalysts for asymmetric hydrogenation and allylic substitution.","Organic letters","2007","9","26","5557","5560","10.1021/ol702519f","","","0.7107","MoKα","","","0.0402","","","","0.0712","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505661","5.881","0.0009","9.0184","0.0015","36.938","0.009","90","","90","","90","","1959.1","0.7","103.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 Cl N -","- C27 H18 Cl N -","- C108 H72 Cl4 N4 -","4","1","","Matsuzawa, Hiroshi; Kanao, Keiichiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Remarkable effect of N-substituent on enantioselective ruthenium-catalyzed propargylation of indoles with propargylic alcohols.","Organic letters","2007","9","26","5561","5564","10.1021/ol7025203","","","0.7107","MoKα","","","0.0503","","","","0.0892","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505677","5.888","0.0012","10.699","0.003","17.013","0.002","90","","90","","90","","1071.7","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari","Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines","Journal of Combinatorial Chemistry","2006","8","3","344","","10.1021/cc050138j","","","0.71073","MoKα","","0.0461","0.0363","","","0.0844","0.0874","","","","","","1.139","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505681","11.054","0.007","20.276","0.012","21.194","0.013","90","","90","","90","","4750","5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 Br2 N2 O15 -","- C45 H54 Br2 N2 O15 -","- C180 H216 Br8 N8 O60 -","4","1","","Jiang, Yi; Alcaraz, Ana A.; Chen, Jian-Min; Kobayashi, Hisayoshi; Lu, Yang J.; Snyder, James P.","Diastereomers of dibromo-7-epi-10-deacetylcephalomannine: crowded and cytotoxic taxanes exhibit halogen bonds.","Journal of medicinal chemistry","2006","49","6","1891","1899","10.1021/jm0509243","","","0.71073","MoKα","","0.1251","0.0528","","","0.1005","0.1229","","","","","","0.923","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505767","7.9022","0.0009","9.2228","0.001","24.589","0.003","90","","90","","90","","1792.1","0.4","100","0.1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O3 -","- C19 H28 N2 O3 -","- C76 H112 N8 O12 -","4","1","","Parrish, Damon; Zhurova, Elizabeth A.; Kirschbaum, Kristin; Pinkerton, A. Alan","Experimental Charge Density Study of Estrogens: 17β-Estradiol·Urea","The Journal of Physical Chemistry B","2006","110","51","26442","26447","10.1021/jp065638x","","","0.71073","MoKα","","","0.0168","","","","0.0142","","","","","","1.0955","","","","has coordinates","191009","2020-10-21","18:00:00",""
"1505769","10.4158","0.0008","22.2961","0.0016","24.9796","0.0018","90","","90","","90","","5801.1","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72 H62 N2 O3 -","- C72 H60 N2 O3 -","- C288 H240 N8 O12 -","4","1","","Hasegawa, Takashi; Morino, Kazuhide; Tanaka, Yoshie; Katagiri, Hiroshi; Furusho, Yoshio; Yashima, Eiji","Temperature-Driven Switching of Helical Chirality of Poly[(4-carboxyphenyl)acetylene] Induced by a Single Amidine Enantiomer and Memory of the Diastereomeric Macromolecular Helicity","Macromolecules","2006","39","2","482","","10.1021/ma052206w","","","0.71073","MoKα","","0.0678","0.0553","","","0.1549","0.1666","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505773","5.7878","0.0006","10.102","0.001","24.868","0.002","90","","90","","90","","1454","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Fe -","- C20 H14 Fe -","- C80 H56 Fe4 -","4","1","","Li, Zhen; Lam, Jacky W. Y.; Dong, Yongqiang; Dong, Yuping; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Construction of Hyperbranched Polyphenylenes Containing Ferrocenyl Units by Alkyne Polycyclotrimerization","Macromolecules","2006","39","19","6458","","10.1021/ma0601823","","","0.71073","MoKα","","0.0418","0.0398","","","0.0937","0.0946","","","","","","1.125","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505791","11.714","0.001","18.289","0.001","20.855","0.001","90","","90","","90","","4467.9","0.5","173","","173","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H69 Al2 Nd O3 -","- C42 H69 Al2 Nd O3 -","- C168 H276 Al8 Nd4 O12 -","4","1","","Fischbach, Andreas; Meermann, Christian; Eickerling, Georg; Scherer, Wolfgang; Anwander, Reiner","Discrete Lanthanide Aryl(alk)oxide Trimethylaluminum Adducts as Isoprene Polymerization Catalysts","Macromolecules","2006","39","20","6811","","10.1021/ma061149j","","","0.56087","AgKα","","0.0557","0.0436","","","0.0759","0.0795","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505796","7.477","0.0015","11.075","0.002","33.972","0.007","90","","90","","90","","2813.1","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","14-benzyl-6,11-dihydroxy-5,7,13-trimethyl-12-methylene- 5,6,7,8,10a,11,12,13,13a,14,15,16-dodecahydro-2H- oxacyclododecino[2,3-d]isoindole-2,16-dione","","- C29 H38 N O6 -","- C29 H38 N O6 -","- C116 H152 N4 O24 -","4","1","","Liu, Rui; Gu, Qianqun; Zhu, Weiming; Cui, Chengbin; Fan, Guotao; Fang, Yuchun; Zhu, Tianjiao; Liu, Hongbing","10-Phenyl-[12]-cytochalasins Z7, Z8, and Z9 from the marine-derived fungus Spicaria elegans.","Journal of natural products","2006","69","6","871","875","10.1021/np050201m","","","0.71073","MoKα","","0.0832","0.081","","","0.1092","0.1119","","","","","","1.132","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505797","6.8007","0.0007","11.2573","0.0011","24.747","0.002","90","","90","","90","","1894.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Zhang, Hua; Yang, Sheng-Ping; Fan, Cheng-Qi; Ding, Jian; Yue, Jian-Min","Daphniyunnines A-E, alkaloids from Daphniphyllum yunnanense.","Journal of natural products","2006","69","4","553","557","10.1021/np050490e","","","0.71073","MoKα","","0.064","0.0502","","","0.1012","0.1066","","","","","","0.922","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505798","6.382","0.002","19.008","0.007","20.534","0.008","90","","90","","90","","2491","1.5","93","1","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Br O8 -","- C28 H29 Br O8 -","- C112 H116 Br4 O32 -","4","1","","Tidgewell, Kevin; Harding, Wayne W.; Lozama, Anthony; Cobb, Howard; Shah, Kushal; Kannan, Pavitra; Dersch, Christina M.; Parrish, Damon; Deschamps, Jeffrey R.; Rothman, Richard B.; Prisinzano, Thomas E.","Synthesis of salvinorin A analogues as opioid receptor probes.","Journal of natural products","2006","69","6","914","918","10.1021/np060094b","","","0.71073","MoKα","","0.2137","0.0685","","","0.096","0.1311","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505799","7.913","0.0016","9.484","0.0019","26.271","0.005","90","","90","","90","","1971.6","0.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl(1S,3S,10S,14S,18S)-20-hydroxy-18- (hydroxymethyl)-14-methyl-12-azahexacyclo [10.6.1.11,4.07,20.010,18.015,19]icosane-3-carboxylate","","- C23 H35 N O4 -","- C23 H35 N O4 -","- C92 H140 N4 O16 -","4","1","","Mu, Shu-Zhen; Wang, Ye; He, Hong-Ping; Yang, Xian-Wen; Wang, Yue-Hu; Di, Ying-Tong; Lu, Yang; Chang, Ying; Hao, Xiao-Jiang","Daphnioldhanins A-C, alkaloids from Daphniphyllum oldhami","Journal of natural products","2006","69","7","1065","1069","10.1021/np060131z","","","0.71073","MoKα","","0.0749","0.0749","","","0.1806","0.1806","","","","","","1.39","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505806","6.0723","0.0004","12.0285","0.0006","25.741","0.002","90","","90","","90","","1880.1","0.2","298","","","","","","","","","","natural Product","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C88 H80 O24 -","4","1","","Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Thinapong, Pongchan; Sophasan, Samaisukh; Santisuk, Thawatchai; Reutrakul, Vichai","Cytotoxic styryl-lactones from the leaves and twigs of Polyalthia crassa.","Journal of natural products","2006","69","12","1728","1733","10.1021/np060323u","","","0.71073","MoKα","","0.0763","0.0505","","","0.1055","0.1175","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505811","9.015","0.006","9.235","0.006","32.8","0.02","90","","90","","90","","2731","3","100","2","373","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 B2 P2 -","- C31 H36 B2 P2 -","- C124 H144 B8 P8 -","4","1","","Vandyck, Koen; Matthys, Bavo; Willen, Mario; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Johan","Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand.","Organic letters","2006","8","3","363","366","10.1021/ol0522788","","","1.54178","CuKα","","0.0629","0.0484","","","0.1002","0.1041","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505815","7.3574","0.0015","15.976","0.003","16.707","0.003","90","","90","","90","","1963.8","0.6","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 B Fe N O P -","- C20 H25 B Fe N O P -","- C80 H100 B4 Fe4 N4 O4 P4 -","4","1","","Vinci, Daniele; Mateus, Nuno; Wu, Xiaofeng; Hancock, Fred; Steiner, Alexander; Xiao, Jianliang","Oxazaphospholidine-oxide as an efficient ortho-directing group for the diastereoselective deprotonation of ferrocene.","Organic letters","2006","8","2","215","218","10.1021/ol0523704","","","0.71073","MoKα","","0.0672","0.0351","","","0.0469","0.0517","","","","","","0.76","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505822","11.681","0.005","19.082","0.009","6.506","0.002","90","","90","","90","","1450.2","1","253","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O S2 -","- C15 H24 O S2 -","- C60 H96 O4 S8 -","4","1","","Ishii, Akihiko; Ohishi, Masayuki; Matsumoto, Kimiyo; Takayanagi, Toshiyuki","Synthesis and properties of a dithiirane trans-1,2-dioxide, a three-membered vic-disulfoxide.","Organic letters","2006","8","1","91","94","10.1021/ol052570f","","","1.54178","CuKα","","0.052","0.0516","","","0.1351","0.1355","","","","","","1.076","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505841","7.873","0.002","8.231","0.002","18.935","0.005","90","","90","","90","","1227","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R,4S,5S)-9-(4-hydroxymethyl-3-oxabicyclo[3.2.0]hept-2-yl)adenine","","- C12 H15 N5 O2 -","- C12 H15 N5 O2 -","- C48 H60 N20 O8 -","4","1","","Alibés, Ramon; Alvárez-Larena, Angel; de March, Pedro; Figueredo, Marta; Font, Josep; Parella, Teodor; Rustullet, Albert","Synthesis and conformational analysis of new cyclobutane-fused nucleosides.","Organic letters","2006","8","3","491","494","10.1021/ol052794y","","","0.71069","MoKα","","0.0348","0.0291","","","0.0752","0.0762","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505850","7.553","0.001","10.746","0.002","13.435","0.002","90","","90","","90","","1090.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O4 S -","- C10 H12 O4 S -","- C40 H48 O16 S4 -","4","1","","Tang, Zhuo; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu","Design of highly enantioselective organocatalysts based on molecular recognition.","Organic letters","2006","8","7","1263","1266","10.1021/ol0529391","","","0.71073","MoKα","","0.0478","0.0359","","","0.0826","0.086","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505852","4.5846","0.0005","11.1492","0.0013","30.445","0.004","90","","90","","90","","1556.2","0.3","568","2","568","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Ghosh, Rina; Chakraborty, Arijit; Maiti, Dilip K.; Puranik, Vedavati G.","Crystal or low molecular mass organogel based on sugar-derived chiral pyrano[2,3-b]naphtho[1,2-e]pyrans.","Organic letters","2006","8","6","1061","1064","10.1021/ol052963e","","","0.71073","MoKα","","0.0891","0.0453","","","0.095","0.1102","","","","","","0.978","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505869","8.3022","0.0007","14.6332","0.0012","26.376","0.002","90","","90","","90","","3204.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","05294","","","- C36 H45 N O4 Si -","- C36 H45 N O4 Si -","- C144 H180 N4 O16 Si4 -","4","1","","Swidorski, Jacob J.; Wang, Jiashi; Hsung, Richard P.","A concise total synthesis of (-)-cylindricine C through a stereoselective intramolecular aza-[3 + 3] annulation strategy.","Organic letters","2006","8","4","777","780","10.1021/ol053059p","","","0.71073","MoKα","","0.0694","0.0399","","","0.0831","0.0971","","","","","","1.017","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505873","9.435","0.001","11.465","0.001","19.104","0.002","90","","90","","90","","2066.5","0.4","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 16","","","- C18 H31 N O3 S2 -","- C18 H31 N O3 S2 -","- C72 H124 N4 O12 S8 -","4","1","","Velázquez, Francisco; Arasappan, Ashok; Chen, Kevin; Sannigrahi, Mousumi; Venkatraman, Srikanth; McPhail, Andrew T.; Chan, Tze-Ming; Shih, Neng-Yang; Njoroge, F. George","Stereoselective synthesis of beta-substituted beta-amino sulfones and sulfonamides via addition of sulfonyl anions to chiral N-sulfinyl imines.","Organic letters","2006","8","4","789","792","10.1021/ol053132b","","","1.5418","CuKα","","0.075","0.064","","0.166","0.162","","","","1.02","1.02","1.02","","","","","has coordinates","288155","2023-12-07","17:20:21",""
"1505875","15.5946","0.0005","18.5492","0.0006","6.2256","0.0003","90","","90","","90","","1800.86","0.12","253","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro","Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.","Organic letters","2006","8","5","963","965","10.1021/ol053141k","","","0.7107","MoKα","","","0.07","","","","0.148","","","","","","0.978","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505885","6.7041","0.0011","12.864","0.002","23.295","0.004","90","","90","","90","","2009","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05114","(2R,5R,1'R)-2-tert-Butyl-5-(2',2'-dimethyl-1-(2S-carboxy-1-pyrrolidinyl) propyl-1-aza-3-oxabicyclo[3.3.0]octan-4-one (16)","","- C20 H34 N2 O4 -","- C20 H34 N2 O4 -","- C80 H136 N8 O16 -","4","1","","Vartak, Ashish P.; Johnson, Rodney L.","Concerted synthesis of a spirobicyclic type-VI beta-turn mimic of Pro-Pro-Pro-NH2.","Organic letters","2006","8","5","983","986","10.1021/ol0600335","","","0.71073","MoKα","","0.0482","0.0361","","","0.0849","0.0907","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505893","7.9496","0.0008","12.7043","0.0013","13.1705","0.0013","90","","90","","90","","1330.1","0.2","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Shim, Sang Hee; Swenson, Dale C.; Gloer, James B.; Dowd, Patrick F.; Wicklow, Donald T.","Penifulvin A: a sesquiterpenoid-derived metabolite containing a novel dioxa[5,5,5,6]fenestrane ring system from a fungicolous isolate of Penicillium griseofulvum.","Organic letters","2006","8","6","1225","1228","10.1021/ol060107c","","","0.71069","MoKα","","0.0487","0.0355","","","0.0793","0.0842","","","","","","1.098","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505920","9.754","0.002","12.086","0.002","13.614","0.003","90","","90","","90","","1604.9","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 F N O5 -","- C16 H18 F N O5 -","- C64 H72 F4 N4 O20 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0435","0.0357","","","0.0935","0.0981","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505921","9.6137","0.0019","11.512","0.002","13.536","0.003","90","","90","","90","","1498.1","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O4 -","- C16 H18 F N O4 -","- C64 H72 F4 N4 O16 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0668","0.038","","","0.0704","0.0777","","","","","","0.952","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505922","6.3666","0.0004","15.3404","0.0009","17.1852","0.0013","90","","90","","90","","1678.41","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0455","0.0331","","","0.0785","0.0835","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505934","7.3633","0.0003","12.2983","0.0005","32.9857","0.0014","90","","90","","90","","2987.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H49 N O5 -","- C31.014 H49 N O5 -","- C124.056 H196 N4 O20 -","4","1","","Nichols, Paul J.; Demattei, John A.; Barnett, Bradley R.; Lefur, Nicole A.; Chuang, Tsung-Hsun; Piscopio, Anthony D.; Koch, Kevin","Preparation of pyrrolidine-based PDE4 inhibitors via enantioselective conjugate addition of alpha-substituted malonates to aromatic nitroalkenes.","Organic letters","2006","8","7","1495","1498","10.1021/ol060398p","","","0.71073","MoKα","","0.1544","0.1017","","","0.2608","0.2973","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505945","5.3345","0.0009","15.737","0.002","17.134","0.003","90","","90","","90","","1438.4","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0526","0.0394","","","0.0708","0.0752","","","","","","0.801","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505947","8.4101","0.0017","8.6372","0.0018","20.288","0.004","90","","90","","90","","1473.7","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0992","0.0954","","","0.1676","0.1688","","","","","","1.398","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505949","8.4676","0.0015","10.3486","0.0019","18.041","0.003","90","","90","","90","","1580.9","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.1014","0.0867","","","0.1285","0.132","","","","","","1.4","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505950","8.6105","0.0016","9.7462","0.0018","18.86","0.003","90","","90","","90","","1582.7","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.074","0.0723","","","0.1307","0.1314","","","","","","1.429","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505958","8.064","0.0001","14.0827","0.0002","28.0965","0.0006","90","","90","","90","","3190.72","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C108 H192 O16 S4 Si8 -","4","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.068","0.037","","","0.075","0.084","","","","","","0.959","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505959","10.3367","0.0008","10.7685","0.0007","28.627","0.002","90","","90","","90","","3186.5","0.4","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C108 H192 O16 S4 Si8 -","4","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.112","0.097","","","0.205","0.216","","","","","","1.095","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505970","4.9719","0.0009","14.74","0.003","26.89","0.005","90","","90","","90","","1970.7","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O -","- C25 H24 N2 O -","- C100 H96 N8 O4 -","4","1","","Evans, David A.; Fandrick, Keith R.","Catalytic enantioselective pyrrole alkylations of alpha,beta-unsaturated 2-acyl imidazoles.","Organic letters","2006","8","11","2249","2252","10.1021/ol060576e","","","0.71073","MoKα","","0.0843","0.0588","","","0.0786","0.0849","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505973","11.126","0.014","12.092","0.009","8.986","0.005","90","","90","","90","","1208.9","1.9","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 5","","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71073","Mo-Kα","","0.0542","0.054","","","0.1276","0.1279","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505974","8.9878","0.0019","11.288","0.004","12.302","0.003","90","","90","","90","","1248.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 7","","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71069","Mo-Kα","","0.0174","0.0167","","","0.0416","0.0418","","","","","","1.119","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505976","11.487","0.004","11.553","","20.483","0.007","90","","90","","90","","2718.3","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cl2 N2 O5 -","- C25 H32 Cl2 N2 O5 -","- C100 H128 Cl8 N8 O20 -","4","1","","Cho, Ji Young; Kwon, Hak Cheol; Williams, Philip G.; Jensen, Paul R.; Fenical, William","Azamerone, a terpenoid phthalazinone from a marine-derived bacterium related to the genus Streptomyces (Actinomycetales).","Organic letters","2006","8","12","2471","2474","10.1021/ol060630r","","","0.71073","MoKα","","0.0703","0.0507","","","0.1199","0.1294","","","","","","1.077","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505982","6.9258","0.0008","8.8531","0.0011","17.129","0.002","90","","90","","90","","1050.3","0.2","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N -","- C14 H15 N -","- C56 H60 N4 -","4","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0771","0.0593","","","0.1492","0.1699","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506005","8.804","0.002","11.544","0.003","20.381","0.011","90","","90","","90","","2071.4","1.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br F3 N O P -","- C21 H18 Br F3 N O P -","- C84 H72 Br4 F12 N4 O4 P4 -","4","1","","Lauzon, Caroline; Charette, André B","Catalytic asymmetric synthesis of alpha,alpha,alpha-trifluoromethylamines by the copper-catalyzed nucleophilic addition of diorganozinc reagents to imines.","Organic letters","2006","8","13","2743","2745","10.1021/ol0607847","","","1.54178","CuKα","","0.0749","0.0298","","","0.0379","0.0473","","","","","","0.501","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506015","10.455","0.002","17.755","0.004","22.107","0.004","90","","90","","90","","4103.7","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H46 N6 O4 Zn -","- C48.7 H44 N6 O4 Zn -","- C194.8 H176 N24 O16 Zn4 -","4","1","","Atkins, Jeffery M.; Moteki, Shin A.; Dimagno, Stephen G.; Takacs, James M.","Single enantiomer, chiral donor-acceptor metal complexes from bisoxazoline pseudoracemates.","Organic letters","2006","8","13","2759","2762","10.1021/ol060836s","","","0.71073","MoKα","","0.0591","0.0554","","","0.1374","0.1397","","","","","","1.096","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506019","9.697","0.002","11.333","0.003","31.449","0.009","90","","90","","90","","3456.1","1.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O3 -","- C20.001 H28 O3 -","- C160.008 H224 O24 -","8","2","","Pan, Li; Zhou, Ping; Zhang, Xiaofeng; Peng, Shulin; Ding, Lisheng; Qiu, Samuel X.","Skeleton-rearranged pentacyclic diterpenoids possessing a cyclobutane ring from Euphorbia wallichii.","Organic letters","2006","8","13","2775","2778","10.1021/ol0608552","","","0.71073","MoKα","","0.0983","0.0498","","","0.0981","0.1099","","","","","","0.901","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506025","10.699","0.002","16.752","0.003","9.5269","0.0018","90","","90","","90","","1707.5","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","1","","Xie, Ling-Hai; Liu, Feng; Tang, Chao; Hou, Xiao-Ya; Hua, Yu-Ran; Fan, Qu-Li; Huang, Wei","Unexpected one-pot method to synthesize spiro[fluorene-9,9'-xanthene] building blocks for blue-light-emitting materials.","Organic letters","2006","8","13","2787","2790","10.1021/ol060871z","","","0.71073","MoKα","","0.0402","0.0338","","","0.0882","0.0923","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506028","9.9053","0.0002","13.1534","0.0003","17.1989","0.0004","90","","90","","90","","2240.82","0.09","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C104 H112 N8 O8 -","4","1","","Focken, Thilo; Charette, André B","Stereoselective synthesis of pyridinones: application to the synthesis of (-)-barrenazines.","Organic letters","2006","8","14","2985","2988","10.1021/ol0609006","","","1.54178","CuKα","","0.0284","0.028","","","0.0727","0.073","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506036","8.5273","0.0007","12.8564","0.001","20.441","0.0016","90","","90","","90","","2241","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","06013","","","- C23 H27 N O8 -","- C23 H27 N O8 -","- C92 H108 N4 O32 -","4","1","","Sydorenko, Nadiya; Hsung, Richard P.; Vera, Eymi L.","Torquoselective 6pi-electron electrocyclic ring closure of 1-azatrienes containing acyclic chirality at the C-terminus.","Organic letters","2006","8","12","2611","2614","10.1021/ol060932t","","","0.71073","MoKα","","0.0377","0.0288","","","0.0646","0.07","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506037","10.458","0.0003","17.824","0.0005","21.122","0.0007","90","","90","","90","","3937.2","0.2","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37.4 H45.85 Cl2.95 N2 O7 -","- C37.4 H45.85 Cl2.95 N2 O7 -","- C149.6 H183.4 Cl11.8 N8 O28 -","4","1","","McCubbin, J. Adam; Maddess, Matthew L.; Lautens, Mark","Total synthesis of cryptophycin analogues via a scaffold approach.","Organic letters","2006","8","14","2993","2996","10.1021/ol0609356","","","0.71073","MoKα","","0.1032","0.0479","","","0.0953","0.1167","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506051","5.763","0.0002","17.0035","0.0008","25.3668","0.0011","90","","90","","90","","2485.72","0.18","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 I N2 O5 -","- C26 H27 I N2 O5 -","- C104 H108 I4 N8 O20 -","4","1","","Surprenant, Simon; Lubell, William D.","From macrocycle dipeptide lactams to azabicyclo[X.Y.0]alkanone amino acids: a transannular cyclization route for peptide mimic synthesis.","Organic letters","2006","8","13","2851","2854","10.1021/ol0609863","","","1.54178","CuKα","","0.0661","0.0354","","","0.0565","0.0627","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506053","6.5081","0.0013","11.812","0.002","27.375","0.006","90","","90","","90","","2104.4","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O -","- C24 H40 N2 O -","- C96 H160 N8 O4 -","4","1","","Pelegrí, Adela Sanchez; Elsegood, Mark R. J.; McKee, Vickie; Weaver, George W.","Unexpected ring expansion of an enantiopure imidazoline carbene ligand.","Organic letters","2006","8","14","3049","3051","10.1021/ol0609917","","","0.71073","MoKα","","0.1109","0.0974","","","0.2399","0.2486","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506057","9.914","0.001","14.093","0.001","38.171","0.001","90","","90","","90","","5333.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Br N O3 -","- C27 H34 Br N O3 -","- C216 H272 Br8 N8 O24 -","8","2","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","1.54178","CuKα","","0.0512","0.0478","","","0.1277","0.1315","","","","","","1.043","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506065","5.3977","0.0006","12.8158","0.0013","24.189","0.003","90","","90","","90","","1673.3","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl N2 O -","- C17 H25 Cl N2 O -","- C68 H100 Cl4 N8 O4 -","4","1","","Iden, Hassan S.; Lubell, William D.","1,4-Diazepinone and pyrrolodiazepinone syntheses via homoallylic ketones from cascade addition of vinyl Grignard reagent to alpha-aminoacyl-beta-amino esters.","Organic letters","2006","8","16","3425","3428","10.1021/ol061036k","","","1.54178","CuKα","","0.0741","0.0429","","","0.0915","0.1067","","","","","","0.998","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506097","10.5522","0.0006","13.1153","0.0006","21.9409","0.0011","90","","90","","90","","3036.5","0.3","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6'-Bis-acetoxymethyl-2,3,2',3'-tetrahydro-1H,1'H-[5,5']biindenyl- 4,7,4',7'-tetracarboxylic acid tetraethyl ester","","- C32 H34 O12 -","- C32 H34 O12 -","- C128 H136 O48 -","4","1","","Nishida, Goushi; Suzuki, Nanami; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Synthesis of Tetra-ortho-Substituted Axially Chiral Biaryls through Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition.","Organic letters","2006","8","16","3489","3492","10.1021/ol0611550","","","1.54187","CuKα","","0.0525","0.0405","","","0.1061","0.1176","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506115","7.346","0.0008","15.884","0.002","16.299","0.002","90","","90","","90","","1901.8","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl N O3 -","- C21 H28 Cl N O3 -","- C84 H112 Cl4 N4 O12 -","4","1","","Chen, Peiling; Chen, Yanping; Carroll, Patrick J.; Sieburth, Scott McN","Novel reaction pathways for 2-pyridone [4+4] photoadducts.","Organic letters","2006","8","15","3367","3370","10.1021/ol061266z","","","0.71069","MoKα","","0.0379","0.0306","","","0.0593","0.0618","","","","","","0.897","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506122","7.5688","0.0003","9.5287","0.0004","33.9726","0.0014","90","","90","","90","","2450.13","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Phenyl-N'-[(1R,3S)-3-[[[(phenylamino)thioxomethyl]amino] methyl]-3,5,5-trimethylcyclohexyl]thiourea","","- C24 H32 N4 S2 -","- C24 H32 N4 S2 -","- C96 H128 N16 S8 -","4","1","","Berkessel, Albrecht; Roland, Katrin; Neudörfl, Jörg M","Asymmetric Morita-Baylis-Hillman reaction catalyzed by isophoronediamine-derived bis(thio)urea organocatalysts.","Organic letters","2006","8","19","4195","4198","10.1021/ol061298m","","","0.71073","MoKα","","0.0825","0.0403","","","0.0709","0.0967","","","","","","0.973","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506135","9.1848","0.0009","10.3498","0.0003","18.4659","0.0005","90","","90","","90","","1755.38","0.19","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N O3 -","- C18 H24 N O3 -","- C72 H96 N4 O12 -","4","1","","Matsumura, Yoshihiro; Ogura, Kanako; Kouchi, Yoshimi; Iwasaki, Fumiaki; Onomura, Osamu","New efficient organic activators for highly enantioselective reduction of aromatic ketones by trichlorosilane.","Organic letters","2006","8","17","3789","3792","10.1021/ol0613822","","","0.7107","MoKα","","","0.0416","","","","0.0901","","","","","","1.306","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506136","6.365","0.003","14.361","0.004","19.468","0.007","90","","90","","90","","1779.5","1.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Boukouvalas, John; Pouliot, Martin; Robichaud, Joël; MacNeil, Stephen; Snieckus, Victor","Asymmetric total synthesis of (-)-panacene and correction of its relative configuration.","Organic letters","2006","8","16","3597","3599","10.1021/ol061385e","","","1.54178","CuKα","","0.0867","0.0423","","","0.0923","0.106","","","","","","0.759","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506155","6.3696","0.0002","7.2069","0.0002","29.1029","0.001","90","","90","","90","","1335.97","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,3aR,5aR,7aS,10aS,10bS,10cR)-2-methoxy-2,3,3a,7a,8, 10a,10b,10c-octahydro-5aH-1,9-dioxa- dicyclopenta[a,h]naphthalen-10-one","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Felzmann, Wolfgang; Arion, Vladimir B.; Mieusset, Jean-Luc; Mulzer, Johann","A tether controlled exo-selective trans-annular Diels-Alder (TADA) reaction.","Organic letters","2006","8","17","3849","3851","10.1021/ol061510m","","","0.71073","MoKα","","0.0481","0.0388","","","0.0948","0.1003","","","","","","1.093","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506157","7.103","0.001","13.709","0.001","14.869","0.001","90","","90","","90","","1447.9","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O5 -","- C17 H14 N2 O5 -","- C68 H56 N8 O20 -","4","1","","Das, Suven; Fröhlich, Roland; Pramanik, Animesh","Synthesis and fluorescent properties of a new class of heterocycles of isoindole fused imidazoles with phenolic subunits.","Organic letters","2006","8","19","4263","4266","10.1021/ol061520n","","","1.54178","CuKα","","0.0271","0.027","","","0.0724","0.0725","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506165","6.126","0.002","7.3524","0.0013","29.508","0.005","90","","90","","90","","1329.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H20 B Na O9 -","- C7 H20 B Na O9 -","- C28 H80 B4 Na4 O36 -","4","1","","Cammidge, Andrew N.; Goddard, Victoria H. M.; Gopee, Hemant; Harrison, Nicola L.; Hughes, David L.; Schubert, Christopher J.; Sutton, Benjamin M.; Watts, Gary L.; Whitehead, Andrew J.","Aryl trihydroxyborates: easily isolated discrete species convenient for direct application in coupling reactions.","Organic letters","2006","8","18","4071","4074","10.1021/ol061564w","","","0.71069","Mo-Kα","","0.042","0.0351","","","0.0802","0.0846","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506168","6.072","0.004","15.035","0.004","22.423","0.006","90","0.02","90","0.04","90","0.04","2047.1","1.6","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O6 -","- C23 H26 O6 -","- C92 H104 O24 -","4","1","","Xu, Gang; Hou, Ai-Jun; Wang, Rui-Rui; Liang, Guang-Yu; Zheng, Yong-Tang; Liu, Ze-Yuan; Li, Xiao-Li; Zhao, Yu; Huang, Sheng-Xiong; Peng, Li-Yan; Zhao, Qin-Shi","Przewalskin A: A new C23 terpenoid with a 6/6/7 carbon ring skeleton from Salvia przewalskii maxim.","Organic letters","2006","8","20","4453","4456","10.1021/ol061609t","","","0.71073","MoKα","","0.1322","0.0508","","","0.1281","0.1625","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506182","6.1879","0.0006","6.6386","0.0006","30.879","0.003","90","","90","","90","","1268.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N5 O5 -","- C11 H15 N5 O5 -","- C44 H60 N20 O20 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.032","0.0312","","","0.0806","0.0812","","","","","","1.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506185","6.986","0.007","11.755","0.011","25.4","0.02","90","","90","","90","","2086","3","142","2","142","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C96 H108 N4 O24 -","4","1","","Feldman, Ken S.; Karatjas, Andrew G.","Extending Pummerer reaction chemistry. Asymmetric synthesis of spirocyclic oxindoles via chiral indole-2-sulfoxides.","Organic letters","2006","8","18","4137","4140","10.1021/ol0617244","","","0.71073","MoKα","","0.125","0.0981","","","0.2659","0.2782","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506203","5.5389","0.0005","8.4692","0.0008","27.111","0.003","90","","90","","90","","1271.8","0.2","138","","138","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O -","- C13 H14 Br N O -","- C52 H56 Br4 N4 O4 -","4","1","","Wender, Paul A.; Horan, Joshua C.","Synthesis and PKC binding of a new class of a-ring diversifiable bryostatin analogues utilizing a double asymmetric hydrogenation and cross-coupling strategy.","Organic letters","2006","8","20","4581","4584","10.1021/ol0618149","","","0.71073","MoKα","","0.0299","0.0271","","","0.0618","0.0625","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506205","6.0107","0.0003","15.0074","0.0007","25.3448","0.0011","90","","90","","90","","2286.23","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Br O5 -","- C28 H23 Br O5 -","- C112 H92 Br4 O20 -","4","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0456","0.0333","","","0.0685","0.0727","","","","","","0.982","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506209","10.447","0.002","11.215","0.002","37.269","0.008","90","","90","","90","","4366.6","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O3 -","- C25 H31 N O3 -","- C200 H248 N8 O24 -","8","2","","Lebeuf, Raphaël; Robert, Frédéric; Schenk, Kurt; Landais, Yannick","Desymmetrization of cyclohexa-2,5-dienes through a diastereoselective protonation-hydroamination cascade.","Organic letters","2006","8","21","4755","4758","10.1021/ol0618353","","","0.71073","MoKα","","0.0635","0.0463","","","0.061","0.0618","","","","","","2.765","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506229","5.982","0.001","11.036","0.003","20.476","0.013","90","","90","","90","","1351.8","1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl3 O -","- C13 H15 Cl3 O -","- C52 H60 Cl12 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.0922","0.0553","","","0.1408","0.17","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506238","7.7751","0.0017","15.225","0.003","32.622","0.007","90","","90","","90","","3861.7","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","06036b","","","- C15 H27 N O6 Si -","- C15 H27 N O6 Si -","- C120 H216 N8 O48 Si8 -","8","2","","Hoye, Thomas R.; Dvornikovs, Vadims; Sizova, Elena","Silylative Dieckmann-like cyclizations of ester-imides (and diesters).","Organic letters","2006","8","23","5191","5194","10.1021/ol061988q","","","0.71073","MoKα","","0.0905","0.0532","","","0.1128","0.1308","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506254","9.4787","0.0001","9.6895","0.0001","27.4742","0.0003","90","","90","","90","","2523.34","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Parquette 1058","","","- C27 H22 Cl Cu N5 O4 -","- C27 H22 Cl Cu N5 O4 -","- C108 H88 Cl4 Cu4 N20 O16 -","4","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0288","0.0248","","0.062","","0.0607","","","1.046","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506255","10.0378","0.0001","17.8225","0.0001","19.2315","0.0002","90","","90","","90","","3440.49","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Parquette 1057","","","- C28 H23 Cl4 N5 Ni O4 -","- C28 H23 Cl4 N5 Ni O4 -","- C112 H92 Cl16 N20 Ni4 O16 -","4","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0457","0.0391","","0.0993","","0.0961","","","1.042","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506264","6.4308","0.0003","14.8616","0.0007","29.0316","0.0014","90","","90","","90","","2774.6","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Cl3 F3 N2 O6 S -","- C23 H26 Cl3 F3 N2 O6 S -","- C92 H104 Cl12 F12 N8 O24 S4 -","4","1","","Arnott, Gareth; Clayden, Jonathan; Hamilton, Stuart D.","Azabicyclic amino acids by stereoselective dearomatizing cyclization of the enolates of N-nicotinoyl glycine derivatives.","Organic letters","2006","8","23","5325","5328","10.1021/ol062126s","","","0.71073","MoKα","","0.0299","0.0284","","","0.0733","0.0744","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506283","8.463","0.0017","9.365","0.0019","26.305","0.005","90","","90","","90","","2084.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N3 O3 -","- C23 H22 N4 O5 -","- C92 H88 N16 O20 -","4","1","","Jiao, Rui H.; Xu, Shu; Liu, Jun Y.; Ge, Hui M.; Ding, Hui; Xu, Chen; Zhu, Hai L.; Tan, Ren X.","Chaetominine, a cytotoxic alkaloid produced by endophytic Chaetomium sp. IFB-E015.","Organic letters","2006","8","25","5709","5712","10.1021/ol062257t","","","0.71073","MoKα","","0.1707","0.1026","","","0.2805","0.3484","","","","","","1.154","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506292","9.6694","0.0001","13.3238","0.0002","13.8318","0.0002","90","","90","","90","","1781.99","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F3 O6 -","- C17 H21 F3 O6 -","- C68 H84 F12 O24 -","4","1","","Sterk, Damjan; Stephan, Michel; Mohar, Barbara","Highly enantioselective transfer hydrogenation of fluoroalkyl ketones.","Organic letters","2006","8","26","5935","5938","10.1021/ol062358r","","","0.71073","MoKα","","0.0571","0.0443","","","0.103","0.1132","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506293","6.6648","0.0001","8.1816","0.0002","18.7439","0.0004","90","","90","","90","","1022.08","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F3 N O -","- C9 H10 F3 N O -","- C36 H40 F12 N4 O4 -","4","1","","Sterk, Damjan; Stephan, Michel; Mohar, Barbara","Highly enantioselective transfer hydrogenation of fluoroalkyl ketones.","Organic letters","2006","8","26","5935","5938","10.1021/ol062358r","","","0.71073","MoKα","","0.0538","0.0416","","","0.1018","0.111","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506295","5.1126","0.0006","13.096","0.002","14.347","0.002","90","","90","","90","","960.6","0.2","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Shibahara, Fumitoshi; Kitagawa, Asumi; Yamaguchi, Eiji; Murai, Toshiaki","Synthesis of 2-azaindolizines by using an iodine-mediated oxidative desulfurization promoted cyclization of N-2-pyridylmethyl thioamides and an investigation of their photophysical properties.","Organic letters","2006","8","24","5621","5624","10.1021/ol0623623","","","0.7107","MoKα","","","0.071","","","","0.1425","","","","","","1.081","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506312","5.762","0.003","9.213","0.004","38.396","0.018","90","","90","","90","","2038.3","1.7","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 -","- C26 H26 N2 -","- C104 H104 N8 -","4","1","","Williams, Amie L.; Srinivasan, Jayasree M.; Johnston, Jeffrey N.","Synthesis of an advanced intermediate en route to the mitomycin natural products.","Organic letters","2006","8","26","6047","6049","10.1021/ol0624676","","","0.71073","MoKα","","0.094","0.0638","","","0.1416","0.1577","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506313","8.6454","0.0012","10.7876","0.0017","13.704","0.002","90","","90","","90","","1278.1","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5R,6S)-2,6,7-Trimethyl-5-phenyl-1,4-dioxa-7-azaspiro[2.5]octan-8-one","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Pansare, Sunil V.; Adsool, Vikrant A.","Enantioselective synthesis of functionalized medium-sized oxacycles.","Organic letters","2006","8","25","5897","5899","10.1021/ol062484v","","","0.7107","MoKα","","0.0496","0.0446","","","0.1072","0.1103","","","","","","1.072","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506321","5.9829","0.0011","7.272","0.0014","41.691","0.008","90","","90","","90","","1813.9","0.6","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br F3 O4 -","- C18 H16 Br F3 O4 -","- C72 H64 Br4 F12 O16 -","4","1","","Zhao, Jun-Ling; Liu, Li; Sui, Yong; Liu, Yu-Liang; Wang, Dong; Chen, Yong-Jun","Catalytic and highly enantioselective Friedel-Crafts alkylation of aromatic ethers with trifluoropyruvate under solvent-free conditions.","Organic letters","2006","8","26","6127","6130","10.1021/ol0626037","","","0.71073","MoKα","","0.0578","0.051","","","0.1723","0.1776","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506322","9.8623","0.0007","10.1661","0.0008","24.4608","0.0017","90","","90","","90","","2452.5","0.3","173","","173","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl2 Cu N6 O2 -","- C22 H30 Cl2 Cu N6 O2 -","- C88 H120 Cl8 Cu4 N24 O8 -","4","1","","Rasappan, Ramesh; Hager, Markus; Gissibl, Anja; Reiser, Oliver","Highly enantioselective michael additions of indole to benzylidene malonate using simple bis(oxazoline) ligands: importance of metal/ligand ratio.","Organic letters","2006","8","26","6099","6102","10.1021/ol062697k","","","0.71073","MoKα","","0.039","0.0344","","","0.0806","0.0817","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506327","7.2693","0.0003","9.9472","0.0004","34.2689","0.0015","90","","90","","90","","2477.96","0.18","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[2(picolylamine-N-acetate)ethyl]-alpha-D-glucofuranosyl rhenium-tricarbonyl","","","- C22 H27 N2 O11 Re -","- C22 H27 N2 O11 Re -","- C88 H108 N8 O44 Re4 -","4","1","","Dumas, Cécile; Petrig, Jeannine; Frei, Luzia; Spingler, Bernhard; Schibli, Roger","Functionalization of Glucose at Position C-3 for Transition Metal Coordination: Organo-Rhenium Complexes with Carbohydrate Skeletons","Bioconjugate Chemistry","2005","16","2","421","","10.1021/bc049744i","","","0.71073","MoKα","","0.0344","0.0304","","","0.0707","0.0721","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506347","10.405","0.002","16.508","0.003","20.85","0.004","90","","90","","90","","3581.3","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6,19-epoxyprogesterone","6,19-epoxypregn-4-ene-3,20-dione","","- C21 H28 O3 -","- C21 H28 O3 -","- C168 H224 O24 -","8","2","","Veleiro, Adriana S.; Pecci, Adali; Monteserín, María C; Baggio, Ricardo; Garland, María T; Lantos, Carlos P.; Burton, Gerardo","6,19-Sulfur-bridged progesterone analogues with antiimmunosuppressive activity.","Journal of medicinal chemistry","2005","48","18","5675","5683","10.1021/jm049266x","","","0.71073","MoKα","","0.141","0.057","","","0.09","0.115","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506348","11.153","0.002","12.65","0.003","12.94","0.004","90","","90","","90","","1825.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6,19-epithioprogesterone","6,19-epithiopregn-4-ene-3,20-dione","","- C21 H28 O2 S -","- C21 H28 O2 S -","- C84 H112 O8 S4 -","4","1","","Veleiro, Adriana S.; Pecci, Adali; Monteserín, María C; Baggio, Ricardo; Garland, María T; Lantos, Carlos P.; Burton, Gerardo","6,19-Sulfur-bridged progesterone analogues with antiimmunosuppressive activity.","Journal of medicinal chemistry","2005","48","18","5675","5683","10.1021/jm049266x","","","0.71073","MoKα","","0.134","0.057","","","0.1","0.127","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506366","10.2149","0.0005","12.5025","0.0004","15.0057","0.0006","90","","90","","90","","1916.4","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 F6 N2 P -","- C19 H21 F6 N2 P -","- C76 H84 F24 N8 P4 -","4","1","","Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton","Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution.","The journal of physical chemistry. B","2005","109","10","4341","4349","10.1021/jp0452709","","","0.71073","MoKα","","0.0897","0.0436","","","0.0734","0.0814","","","","","","0.883","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506368","10.7207","0.0003","10.8545","0.0002","15.4841","0.0004","90","","90","","90","","1801.85","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 B F4 N2 -","- C19 H21 B F4 N2 -","- C76 H84 B4 F16 N8 -","4","1","","Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton","Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution.","The journal of physical chemistry. B","2005","109","10","4341","4349","10.1021/jp0452709","","","0.71069","MoKα","","0.053","0.0464","","","0.1166","0.121","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506388","36.813","0.003","6.2947","0.0005","7.5555","0.0006","90","","90","","90","","1750.8","0.2","298","2","298","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 -","- C24 H22 -","- C96 H88 -","4","1","","Bhongale, Chetan Jagdish; Chang, Chih-Wei; Lee, Chi-Shen; Diau, Eric Wei-Guang; Hsu, Chain-Shu","Relaxation dynamics and structural characterization of organic nanoparticles with enhanced emission.","The journal of physical chemistry. B","2005","109","28","13472","13482","10.1021/jp0502297","","","0.71073","MoKα","","0.0486","0.043","","","0.1099","0.1186","","","","","","1.102","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506401","9.123","0.0007","11.4591","0.0008","15.5695","0.0012","90","","90","","90","","1627.7","0.2","100","2","100","2","","","","","","","synthesized","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 B F2 N2 -","- C19 H19 B F2 N2 -","- C76 H76 B4 F8 N8 -","4","1","","Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey","Structural control of the photodynamics of boron-dipyrrin complexes.","The journal of physical chemistry. B","2005","109","43","20433","20443","10.1021/jp0525078","","x-ray","0.71073","MoKα","","0.0432","0.0352","","","0.089","0.0928","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506414","7.483","0.001","7.636","0.002","18.212","0.003","90","","90","","90","","1040.6","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Bromo-3-(1'H-indol-3'-yl)-maleimide","","- C12 H7 Br N2 O2 -","- C12 H7 Br N2 O2 -","- C48 H28 Br4 N8 O8 -","4","1","","Kaletas, Basak Kükrer; Joshi, Hem C.; van der Zwan, Gert; Fanti, Marianna; Zerbetto, Francesco; Goubitz, Kees; De Cola, Luisa; König, Burkhard; Williams, René M","Asymmetric indolylmaleimide derivatives and their complexation with zinc(II)-cyclen.","The journal of physical chemistry. A","2005","109","42","9443","9455","10.1021/jp054651z","","","1.5418","CuKα","","0.088","0.087","","0.127","","0.126","","","0.938","","","0.951","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506424","11.9852","0.001","18.9242","0.0016","19.5947","0.0016","90","","90","","90","","4444.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H69 Li O5 -","- C45 H69 Li O5 -","- C180 H276 Li4 O20 -","4","1","","Hsueh, Mao-Lin; Huang, Bor-Hunn; Wu, Jincai; Lin, Chu-Chieh","Synthesis, Characterization, and Catalytic Studies of Lithium Complexes: Efficient Initiators for Ring-Opening Polymerization ofl-Lactide","Macromolecules","2005","38","23","9482","","10.1021/ma050600o","","","0.71073","MoKα","","0.1619","0.0527","","","0.1119","0.1366","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506425","12.901","0.008","13.359","0.009","16.323","0.011","90","","90","","90","","2813","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Cl6 N2 O4 Sn -","- C24 H26 Cl6 N2 O4 Sn -","- C96 H104 Cl24 N8 O16 Sn4 -","4","1","","Darensbourg, Donald. J.; Ganguly, Poulomi; Billodeaux, Damon","Ring-Opening Polymerization of Trimethylene Carbonate Using Aluminum(III) and Tin(IV) Salen Chloride Catalysts","Macromolecules","2005","38","13","5406","","10.1021/ma050666j","","","0.71073","MoKα","","0.0524","0.0422","","","0.1045","0.1149","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506439","9.5032","0.0002","11.2533","0.0003","19.2625","0.0006","90","","90","","90","","2059.98","0.09","293","","293","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","methyl (1E,4E)-6α,8β-diacetoxy-7βH-germacra-1(10),4-dien-14-oate","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime","Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities.","Journal of natural products","2005","68","4","523","531","10.1021/np0496183","","x-ray","0.71073","MoKα","","0.0765","0.063","","","0.1638","0.1762","","","","","","1.217","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506440","9.039","0.001","14.621","0.001","14.866","0.001","90","","90","","90","","1964.7","0.3","293","","293","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","(1E)-1β,10α-epoxy-6α,8β-diacetoxy-7βH-germacra-4-ene-14-al","","- C19 H28 O6 -","- C19 H28 O6 -","- C76 H112 O24 -","4","1","","Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime","Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities.","Journal of natural products","2005","68","4","523","531","10.1021/np0496183","","x-ray","0.71073","MoKα","","0.0882","0.0711","","","0.1782","0.1932","","","","","","1.121","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506441","9.698","0.001","13.617","0.001","14.946","0.001","90","","90","","90","","1973.7","0.3","293","","293","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","1β,10α,4α,Diepoxy-6α,8β-diacetoxy-7βH-germacra-14-al","","- C19 H28 O7 -","- C19 H28 O7 -","- C76 H112 O28 -","4","1","","Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime","Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities.","Journal of natural products","2005","68","4","523","531","10.1021/np0496183","","x-ray","0.71073","MoKα","","0.0745","0.0637","","","0.1682","0.1801","","","","","","1.178","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506442","5.441","0.001","14.886","0.003","17.243","0.003","90","","90","","90","","1396.6","0.5","293","","293","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","15-hydroxy-10(14)-oplopen-4-one","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime","Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities.","Journal of natural products","2005","68","4","523","531","10.1021/np0496183","","x-ray","0.71073","MoKα","","0.0411","0.0352","","","0.1115","0.1171","","","","","","0.984","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506444","11.213","0.002","14.543","0.003","16.498","0.003","90","","90","","90","","2690.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","puqienine A","","","- C28 H49 N O4 -","- C28 H49 N O4 -","- C112 H196 N4 O16 -","4","1","","Jiang, Yan; Li, Huijun; Li, Ping; Cai, Zhaohui; Ye, Wencai","Steroidal alkaloids from the bulbs of Fritillaria puqiensis.","Journal of natural products","2005","68","2","264","267","10.1021/np0497649","","","0.71073","MoKα","","0.2021","0.0666","","","0.1594","0.2176","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506454","9.2385","0.0002","12.0517","0.0003","16.415","0.0005","90","","90","","90","","1827.64","0.08","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F6 N2 P Ru -","- C16 H17 F6 N2 P Ru -","- C64 H68 F24 N8 P4 Ru4 -","4","1","","Sortais, Jean-Baptiste; Ritleng, Vincent; Voelklin, Adeline; Holuigue, Alexandre; Smail, Hakima; Barloy, Laurent; Sirlin, Claude; Verzijl, Gerard K. M.; Boogers, Jeroen A. F.; de Vries, André H M; de Vries, Johannes G.; Pfeffer, Michel","Cycloruthenated primary and secondary amines as efficient catalyst precursors for asymmetric transfer hydrogenation.","Organic letters","2005","7","7","1247","1250","10.1021/ol047353d","","","0.71073","Mo-Kα","","0.071","0.036","","0.123","","0.044","","","3.376","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506456","10.052","0.004","10.322","0.004","17.378","0.009","90","","90","","90","","1803.1","1.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M.","Transtaganolides A-D: novel metabolites from Thapsia transtagana.","Organic letters","2005","7","5","881","884","10.1021/ol047421w","","","0.71073","MoKα","","0.0605","0.0553","","","0.1338","0.1377","","","","","","1.139","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506461","11.35","0.001","11.4769","0.001","14.7702","0.0013","90","","90","","90","","1924","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 O6 -","- C18 H28 N2 O6 -","- C72 H112 N8 O24 -","4","1","","Otte, Ryan D.; Sakata, Tomoyo; Guzei, Ilia A.; Lee, Daesung","Reactivity of Mitsunobu reagent toward carbonyl compounds.","Organic letters","2005","7","3","495","498","10.1021/ol0475008","","","0.71073","MoKα","","0.0642","0.0632","","","0.1768","0.178","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506466","6.4992","0.0001","14.9706","0.0004","34.8326","0.0006","90","","90","","90","","3389.1","0.12","150","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C152 H136 N8 O32 S8 -","8","2","","Pemberton, Nils; Emtenäs, Hans; Boström, Dan; Domaille, Peter J.; Greenberg, William A.; Levin, Michael D.; Zhu, Zuolin; Almqvist, Fredrik","Cycloaddition of delta2-thiazolines and acyl ketenes under acidic conditions results in bicyclic 1,3-oxazinones and not 6-acylpenams as earlier reported.","Organic letters","2005","7","6","1019","1021","10.1021/ol047528j","","","0.71073","MoKα","","0.0665","0.0567","","","0.1444","0.1601","","","","","","1.198","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506483","12.0167","0.0016","13.6419","0.0019","29.948","0.004","90","","90","","90","","4909.4","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O3 -","- C27 H40 O3 -","- C216 H320 O24 -","8","2","","Zhang, Guang-Wen; Ma, Xiang-Quan; Kurihara, Hiroshi; Zhang, Cui-Xian; Yao, Xin-Sheng; Su, Jing-Yu; Zeng, Long-Mei","New hemiketal steroid from the soft coral Cladiella sp.","Organic letters","2005","7","6","991","994","10.1021/ol0477475","","","0.71073","MoKα","","0.057","0.0456","","","0.12","0.1299","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506484","9.8972","0.0004","12.4672","0.0005","21.6365","0.0008","90","","90","","90","","2669.74","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 N2 O3 -","- C31 H30 N2 O3 -","- C124 H120 N8 O12 -","4","1","","Wipf, Peter; Xiao, Jingbo","Convergent approach to (E)-alkene and cyclopropane peptide isosteres.","Organic letters","2005","7","1","103","106","10.1021/ol0477529","","","0.71073","MoKα","","0.1328","0.0935","","","0.1546","0.169","","","","","","1.134","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506491","8.2443","0.0005","16.1149","0.0007","15.7912","0.0007","90","","90","","90","","2097.96","0.18","148","","148","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R)-3-Methyl-N-[(((1R,2S)-2-(1-methyl-1-phenylethyl)cyclohexyl)oxy)carbonyl) -2,3-dihydro-isoindol-1-one","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","","Comins, Daniel L.; Schilling, Stefan; Zhang, Yanchen","Asymmetric synthesis of 3-substituted isoindolinones: application to the total synthesis of (+)-lennoxamine.","Organic letters","2005","7","1","95","98","10.1021/ol047824w","","","0.71073","MolybdenumKα","","0.031","0.031","","0.033","","0.033","","","","","","1.26","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506492","7.9727","0.0008","12.991","0.0013","15.0747","0.0015","90","","90","","90","","1561.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Br O3 -","- C13 H19 Br O3 -","- C52 H76 Br4 O12 -","4","1","","Vaz, Belén; Alvarez, Rosana; Brückner, Reinhard; de Lera, Angel R.","The Stille reaction in the synthesis of carotenoid butenolides: synthesis of 6'-epi-peridinin.","Organic letters","2005","7","4","545","548","10.1021/ol0478281","","","0.71073","MoKα","","0.1335","0.0463","","","0.1053","0.1223","","","","","","0.783","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506500","12.425","0.0009","21.493","0.001","5.9427","0.0004","90","","90","","90","","1587","0.17","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C68 H68 Br4 O12 -","4","1","","Itoh, Kennosuke; Hasegawa, Masayuki; Tanaka, Junji; Kanemasa, Shuji","Enantioselective enol lactone synthesis under double catalytic conditions.","Organic letters","2005","7","6","979","981","10.1021/ol047872g","","","0.7107","MoKα","","0.0722","0.0513","","","0.1304","0.1466","","","","","","0.94","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506505","6.8995","0.0011","16.674","0.003","21.421","0.003","90","","90","","90","","2464.3","0.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl N3 O6 -","- C21 H28 Cl N3 O6 -","- C84 H112 Cl4 N12 O24 -","4","1","","Liu, Xiaofeng; Li, Hongming; Deng, Li","Highly enantioselective amination of alpha-substituted alpha-cyanoacetates with chiral catalysts accessible from both quinine and quinidine.","Organic letters","2005","7","2","167","169","10.1021/ol048190w","","","0.71073","MoKα","","0.0768","0.0366","","","0.0401","0.0436","","","","","","0.844","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506512","5.9008","0.0002","9.6079","0.0003","17.7589","0.0006","90","","90","","90","","1006.83","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","1","","Fernández, Inmaculada; Valdivia, Victoria; Gori, Beatrice; Alcudia, Felipe; Alvarez, Eleuterio; Khiar, Noureddine","The isopropylsulfinyl group: a useful chiral controller for the asymmetric aziridination of sulfinylimines and the organocatalytic allylation of hydrazones.","Organic letters","2005","7","7","1307","1310","10.1021/ol050080h","","","0.71073","MoKα","","0.0248","0.024","","","0.0648","0.0657","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506513","5.9295","0.0006","12.3312","0.0012","16.883","0.0016","90","","90","","90","","1234.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Fe O S -","- C13 H16 Fe O S -","- C52 H64 Fe4 O4 S4 -","4","1","","Fernández, Inmaculada; Valdivia, Victoria; Gori, Beatrice; Alcudia, Felipe; Alvarez, Eleuterio; Khiar, Noureddine","The isopropylsulfinyl group: a useful chiral controller for the asymmetric aziridination of sulfinylimines and the organocatalytic allylation of hydrazones.","Organic letters","2005","7","7","1307","1310","10.1021/ol050080h","","","0.71073","MoKα","","0.055","0.0373","","","0.069","0.0742","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506522","4.9575","0.0006","15.1933","0.0018","18.374","0.002","90","","90","","90","","1383.9","0.3","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.0595","0.0505","","","0.1272","0.1348","","","","","","0.982","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506527","10.4318","0.0005","14.7988","0.0006","35.7592","0.0015","90","","90","","90","","5520.4","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 N2 O5 -","- C30 H32 N2 O5 -","- C240 H256 N16 O40 -","8","2","","Wipf, Peter; Stephenson, Corey R. J.","Three-component synthesis of alpha,beta-cyclopropyl-gamma-amino acids.","Organic letters","2005","7","6","1137","1140","10.1021/ol0501525","","","0.71073","MoKα","","0.135","0.0673","","","0.1393","0.1639","","","","","","0.95","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506528","5.3668","0.0003","14.348","0.0007","23.0874","0.0011","90","","90","","90","","1777.8","0.16","571","2","571","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","","Wipf, Peter; Stephenson, Corey R. J.","Three-component synthesis of alpha,beta-cyclopropyl-gamma-amino acids.","Organic letters","2005","7","6","1137","1140","10.1021/ol0501525","","","0.71073","MoKα","","0.1031","0.0432","","","0.0849","0.1043","","","","","","0.955","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506541","6.854","0.003","14.08","0.004","20.093","0.009","90","","90","","90","","1939.1","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","","Jeffery, David W.; Perkins, Michael V.; White, Jonathan M.","Synthesis of the putative structure of tridachiahydropyrone.","Organic letters","2005","7","8","1581","1584","10.1021/ol050236d","","","1.5418","CuKα","","0.3284","0.1065","","","0.1767","0.2657","","","","","","0.974","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506544","6.4269","0.0008","16.553","0.002","18.276","0.002","90","","90","","90","","1944.3","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S(S),S) N-(1-dimethylphenylsilylphenylmethylene)-t-butanesulfinamide","","- C19 H27 N O S Si -","- C19 H27 N O S Si -","- C76 H108 N4 O4 S4 Si4 -","4","1","","Ballweg, David M.; Miller, Rebecca C.; Gray, Danielle L.; Scheidt, Karl A.","Stereoselective synthesis of alpha-silylamines by the direct addition of silyl anions to activated imines.","Organic letters","2005","7","7","1403","1406","10.1021/ol050244u","","","0.71073","MoKα","","0.1208","0.062","","","0.1144","0.1353","","","","","","0.966","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506545","6.5692","0.0013","15.207","0.003","20.303","0.004","90","","90","","90","","2028.2","0.7","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R(S),R)-1-dimethylphenyl-2,2-dimethylpropyl)-t-butanesulfinamide","","- C17 H33 N O2 S Si -","- C17 H33 N O2 S Si -","- C68 H132 N4 O8 S4 Si4 -","4","1","","Ballweg, David M.; Miller, Rebecca C.; Gray, Danielle L.; Scheidt, Karl A.","Stereoselective synthesis of alpha-silylamines by the direct addition of silyl anions to activated imines.","Organic letters","2005","7","7","1403","1406","10.1021/ol050244u","","","0.71073","MoKα","","0.147","0.0592","","","0.1058","0.1279","","","","","","0.877","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506554","18.059","0.004","18.096","0.004","21.949","0.004","90","","90","","90","","7173","3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C81.6 H89.4 B N2 O2 P2 Ru -","- C81.6 H81 B N2 O2 P2 Ru -","- C326.4 H324 B4 N8 O8 P8 Ru4 -","4","1","","Guo, Rongwei; Chen, Xuanhua; Elpelt, Christian; Song, Datong; Morris, Robert H.","Applications of ruthenium hydride borohydride complexes containing phosphinite and diamine ligands to asymmetric catalytic reactions.","Organic letters","2005","7","9","1757","1759","10.1021/ol050336j","","","0.71073","MoKα","","0.2101","0.0624","","","0.09","0.1216","","","","","","0.927","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506568","9.6285","0.0009","10.2351","0.0009","15.0732","0.0013","90","","90","","90","","1485.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 F2 N O2 -","- C6 H11 F2 N O2 -","- C48 H88 F16 N8 O16 -","8","2","","Wang, Ruo-Wen; Qing, Feng-Ling","Highly stereocontrolled synthesis of gem-difluoromethylenated azasugars: D- and L-1,4,6-trideoxy-4,4-difluoronojirimycin.","Organic letters","2005","7","11","2189","2192","10.1021/ol050558h","","","0.71073","MoKα","","0.0435","0.0413","","","0.0978","0.0994","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506575","12.335","0.003","19.218","0.003","8.483","0.002","90","","90","","90","","2010.9","0.8","183","1","183","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl2 F5 O2 P2 Rh -","- C14 H18 Cl2 F5 O2 P2 Rh -","- C56 H72 Cl8 F20 O8 P8 Rh4 -","4","1","","Kashiwabara, Taigo; Kataoka, Kyoko; Hua, Ruimao; Shimada, Shigeru; Tanaka, Masato","CO-retentive addition reactions of fluorinated acid chlorides to alkynes.","Organic letters","2005","7","11","2241","2244","10.1021/ol050632w","","","0.7107","MoKα","","0.0474","0.0468","","","0.1571","0.1578","","","","","","1.094","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506586","6.2725","0.0001","10.1448","0.0003","31.1819","0.0005","90","","90","","90","","1984.21","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 F7 N2 O2 S -","- C21 H13 F7 N2 O2 S -","- C84 H52 F28 N8 O8 S4 -","4","1","","Carreño, M Carmen; García, Isabel; Ribagorda, María; Merino, Estíbaliz; Pieraccini, Silvia; Spada, Gian Piero","Enantiopure sulfinyl azobenzenes as chiroptical switches.","Organic letters","2005","7","14","2869","2872","10.1021/ol050789o","","","1.54178","CuKα","","0.0466","0.0442","","","0.1093","0.1116","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506592","6.1898","0.0011","13.115","0.002","18.506","0.003","90","","90","","90","","1502.3","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F5 N O -","- C17 H14 F5 N O -","- C68 H56 F20 N4 O4 -","4","1","","Dilman, Alexander D.; Belyakov, Pavel A.; Korlyukov, Alexander A.; Struchkova, Marina I.; Tartakovsky, Vladimir A.","Synthesis of pentafluorophenylmethylamines via silicon Mannich reaction.","Organic letters","2005","7","14","2913","2915","10.1021/ol050845l","","","0.71073","MoKα","","0.0709","0.0527","","","0.1112","0.1178","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506601","7.5381","0.0009","8.2908","0.001","17.803","0.002","90","","90","","90","","1112.6","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C40 H60 N4 O16 -","4","1","","Reddy, Leleti Rajender; Saravanan, P.; Fournier, Jean-François; Subba Reddy, B. V.; Corey, E. J.","Simple enantiospecific syntheses of the C(2)-diastereomers of omuralide and 3-methylomuralide.","Organic letters","2005","7","13","2703","2705","10.1021/ol050874w","","","0.71073","MoKα","","0.0419","0.0367","","","0.0995","0.1019","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506602","6.4186","0.001","11.8863","0.0013","31.835","0.003","90","","90","","90","","2428.8","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[(2S,4S,5R)-5-phenyl-4-(phenylsulfonyl) tetrahydro-2-furanyl]methyl (-)-camphanate","[(2S,4S,5R)-5-phenyl-4-(phenylsulfonyl)tetrahydro-2-furanyl] methyl(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo [2.2.1]heptane-1-carboxylate","","- C27 H30 O7 S -","- C27 H30 O7 S -","- C108 H120 O28 S4 -","4","1","","Makosza, Mieczysław; Barbasiewicz, Michał; Krajewski, Dariusz","Diastereoselective synthesis of tetrahydrofurans via reaction of gamma,delta-epoxycarbanions with aldehydes.","Organic letters","2005","7","14","2945","2948","10.1021/ol0509080","","","0.71073","MoKα","","0.052","0.0383","","","0.0676","0.0718","","","","","","0.962","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506603","6.0067","0.0004","11.6597","0.001","35.632","0.005","90","","90","","90","","2495.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[(2S,4R,5S)-5-phenyl-4-(phenylsulfonyl) tetrahydro-2-furanyl]methyl (-)-camphanate","[(2S,4R,5S)-5-phenyl-4-(phenylsulfonyl)tetrahydro-2-furanyl] methyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1] heptane-1-carboxylate","","- C27 H30 O7 S -","- C27 H30 O7 S -","- C108 H120 O28 S4 -","4","1","","Makosza, Mieczysław; Barbasiewicz, Michał; Krajewski, Dariusz","Diastereoselective synthesis of tetrahydrofurans via reaction of gamma,delta-epoxycarbanions with aldehydes.","Organic letters","2005","7","14","2945","2948","10.1021/ol0509080","","","1.54184","CuKα","","0.1378","0.0553","","","0.1235","0.1545","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506606","7.566","0.0014","12.748","0.002","13.632","0.003","90","","90","","90","","1314.8","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","1","","Koo, Bonsuk; McDonald, Frank E.","Synthesis of the branched C-glycoside substructure of altromycin B.","Organic letters","2005","7","17","3621","3624","10.1021/ol050975u","","","1.54178","CuKα","","0.0366","0.0336","","","0.0814","0.0842","","","","","","1.148","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506607","8.2807","0.0005","12.6741","0.0008","15.0669","0.0009","90","","90","","90","","1581.28","0.17","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Koo, Bonsuk; McDonald, Frank E.","Synthesis of the branched C-glycoside substructure of altromycin B.","Organic letters","2005","7","17","3621","3624","10.1021/ol050975u","","","0.71073","MoKα","","0.0408","0.0375","","","0.0835","0.0849","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506610","9.0617","0.0001","9.9837","0.0001","18.1625","0.0002","90","","90","","90","","1643.15","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Cl N3 -","- C17 H22 Cl N3 -","- C68 H88 Cl4 N12 -","4","1","","King, H. Dalton; Meng, Zhaoxing; Denhart, Derek; Mattson, Ronald; Kimura, Roy; Wu, Dedong; Gao, Qi; Macor, John E.","Enantioselective synthesis of a highly potent selective serotonin reuptake inhibitor. An application of imidazolidinone catalysis to the alkylation of indoles with an alpha,beta-disubstituted alpha,beta-unsaturated aldehyde.","Organic letters","2005","7","16","3437","3440","10.1021/ol051000c","","","1.54178","CuKα","","0.0275","0.0272","","","0.0743","0.0746","","","","","","1.056","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506613","7.2933","0.001","8.2345","0.0012","24.418","0.003","90","","90","","90","","1466.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 O5 -","- C16 H15 N3 O5 -","- C64 H60 N12 O20 -","4","1","","Su, Shun; Acquilano, Dayle E.; Arumugasamy, Jeevanandam; Beeler, Aaron B.; Eastwood, Erin L.; Giguere, Joshua R.; Lan, Ping; Lei, Xiaoguang; Min, Geanna K.; Yeager, Adam R.; Zhou, Ya; Panek, James S.; Snyder, John K.; Schaus, Scott E.; Porco, Jr, John A","Convergent synthesis of a complex oxime library using chemical domain shuffling.","Organic letters","2005","7","13","2751","2754","10.1021/ol051023r","","","0.71073","MoKα","","0.085","0.0519","","","0.0941","0.1045","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506619","6.3731","0.0006","18.988","0.002","21.365","0.002","90","","90","","90","","2585.4","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Cl2 O8 -","- C28 H28 Cl2 O8 -","- C112 H112 Cl8 O32 -","4","1","","Harding, Wayne W.; Tidgewell, Kevin; Schmidt, Matthew; Shah, Kushal; Dersch, Christina M.; Snyder, John; Parrish, Damon; Deschamps, Jeffrey R.; Rothman, Richard B.; Prisinzano, Thomas E.","Salvinicins A and B, new neoclerodane diterpenes from Salvia divinorum.","Organic letters","2005","7","14","3017","3020","10.1021/ol0510522","","","1.54178","CuKα","","0.0882","0.0579","","","0.147","0.1677","","","","","","0.997","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506623","5.9338","0.0005","8.0456","0.0007","24.269","0.002","90","","90","","90","","1158.63","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","04359","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Shen, Lichun; Hsung, Richard P.; Zhang, Yanshi; Antoline, Jennifer E.; Zhang, Xuejun","Copper-catalyzed stereospecific N-allenylations of amides. Syntheses of optically enriched chiral allenamides.","Organic letters","2005","7","14","3081","3084","10.1021/ol051094q","","","0.71073","MoKα","","0.0496","0.0361","","","0.0809","0.0869","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506625","8.8004","0.0003","12.0028","0.0004","26.0589","0.0008","90","","90","","90","","2752.59","0.16","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 O6 -","- C32 H30 O6 -","- C128 H120 O24 -","4","1","","Andrus, Merritt B.; Liu, Jing; Ye, Zhifeng; Cannon, John F.","Asymmetric glycolate aldol reactions using cinchonium phase-transfer catalysts.","Organic letters","2005","7","18","3861","3864","10.1021/ol051096a","","","1.54178","CuKα","","0.0624","0.0323","","","0.0823","0.116","","","","","","1.281","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506633","8.9507","0.0008","25.614","0.002","30.16","0.003","90","","90","","90","","6914.6","1.1","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br O -","- C16 H19 Br O -","- C320 H380 Br20 O20 -","20","5","","Li, Wei-Dong Z; Yang, Yu-Rong","Unusual cyclopropanation of 9-bromocamphor derivatives: a novel formal C(1)-C(7) bond cleavage of camphor.","Organic letters","2005","7","14","3107","3110","10.1021/ol051141e","","","0.71073","MoKα","","0.1065","0.0427","","","0.0541","0.0628","","","","","","0.908","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506634","7.2349","0.0015","7.3055","0.0015","44.21","0.009","90","","90","","90","","2336.7","0.8","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 Br O2 -","- C11 H19 Br O2 -","- C88 H152 Br8 O16 -","8","2","","Li, Wei-Dong Z; Yang, Yu-Rong","Unusual cyclopropanation of 9-bromocamphor derivatives: a novel formal C(1)-C(7) bond cleavage of camphor.","Organic letters","2005","7","14","3107","3110","10.1021/ol051141e","","","0.71073","MoKα","","0.0921","0.0647","","","0.1417","0.149","","","","","","1.084","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506636","6.3088","0.0002","12.2906","0.0007","15.0145","0.0009","90","","90","","90","","1164.21","0.1","200","1","200","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O -","- C14 H20 O -","- C56 H80 O4 -","4","1","","Mazzola, Jr, Robert D; White, Timothy D.; Vollmer-Snarr, Heidi R; West, F. G.","Stereoselective Nazarov cyclizations of bridged bicyclic dienones.","Organic letters","2005","7","13","2799","2801","10.1021/ol051169q","","","0.71073","MoKα","","0.0814","0.0537","","","0.113","0.1281","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506643","6.2361","0.0012","9.666","0.002","25.314","0.005","90","","90","","90","","1525.9","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C56 H100 N4 O20 -","4","1","","Cren, Sylvaine; Wilson, Claire; Thomas, Neil R.","A rapid synthesis of hexofuranose-like iminosugars using ring-closing metathesis.","Organic letters","2005","7","16","3521","3523","10.1021/ol051232b","","","0.71073","MoKα","","0.059","0.0536","","","0.1374","0.1419","","","","","","1.165","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506648","6.8895","0.0014","7.8323","0.0016","16.708","0.004","90","","90","","90","","901.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 O4 P -","- C8 H11 O4 P -","- C32 H44 O16 P4 -","4","1","","Whitehead, Alan; McReynolds, Matthew D.; Moore, Joel D.; Hanson, Paul R.","Multivalent activation in temporary phosphate tethers: a new tether for small molecule synthesis.","Organic letters","2005","7","15","3375","3378","10.1021/ol0512886","","","0.71073","MoKα","","0.0296","0.0292","","","0.0994","0.1012","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506661","10.8949","0.0002","12.1414","0.0002","15.7917","0.0003","90","","90","","90","","2088.92","0.07","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 O5 -","- C26 H22 O5 -","- C104 H88 O20 -","4","1","","Magnus, Philip; Stent, Matthew A. H.","Stereospecific synthesis of (+/-)-1,2-anhydro methyl rocaglate.","Organic letters","2005","7","18","3853","3855","10.1021/ol0513793","","","0.71073","MoKα","","0.0829","0.0418","","","0.0794","0.0929","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506665","9.8803","0.0002","13.2759","0.0002","20.8422","0.0004","90","","90","","90","","2733.87","0.09","173.2","","","","","","","","","","Peters group","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Fe N2 O -","- C34 H32 Fe N2 O -","- C136 H128 Fe4 N8 O4 -","4","1","","Peters, René; Fischer, Daniel F.","Preparation and diastereoselective ortho-metalation of chiral ferrocenyl imidazolines: remarkable influence of LDA as metalation additive.","Organic letters","2005","7","19","4137","4140","10.1021/ol051437k","","","0.71073","MoKα","","0.0535","0.0445","","","0.1221","0.1324","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506671","9.3588","0.0008","12.8978","0.0012","28.84","0.003","90","","90","","90","","3481.2","0.6","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 Si2 -","- C42 H40 Si2 -","- C168 H160 Si8 -","4","1","","Hinrichs, Heino; Fischer, Axel K.; Jones, Peter G.; Hopf, Henning; Haley, Michael M.","[2.2]paracyclophane/dehydroannulene hybrids: probing the aromaticity of the dehydro[14]annulene framework.","Organic letters","2005","7","17","3793","3795","10.1021/ol0514552","","","0.71073","MoKα","","0.0381","0.0326","","","0.0822","0.0845","","","","","","1.017","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506683","5.198","0.0002","7.6164","0.0002","48.4186","0.0016","90","","90","","90","","1916.89","0.11","220","2","220","2","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 O3 -","- C19 H36 O3 -","- C76 H144 O12 -","4","1","","Hanessian, Stephen; Giroux, Simon; Buffat, Maxime","Total synthesis and structural confirmation of (+)-longicin.","Organic letters","2005","7","18","3989","3992","10.1021/ol051483k","","","1.54178","CuKα","","0.1315","0.1064","","","0.2888","0.3094","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506691","10.47","0.002","17.247","0.004","17.307","0.004","90","","90","","90","","3125.2","1.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Br N O4 -","- C35 H48 Br N O4 -","- C140 H192 Br4 N4 O16 -","4","1","","Johannes, Jeffrey W.; Wenglowsky, Steve; Kishi, Yoshito","Biomimetic macrocycle-forming Diels-Alder reaction of an iminium dienophile: synthetic studies directed toward gymnodimine.","Organic letters","2005","7","18","3997","4000","10.1021/ol051553n","","","0.71073","MoKα","","0.0546","0.039","","","0.0724","0.0775","","","","","","0.997","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506695","10.605","0.002","15","0.003","21.184","0.004","90","","90","","90","","3369.8","1.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3aS,5R,6S,6aS)-5-(tert-butyldimethylsilyloxy)-6- (trityloxymethyl)-1,3a,4,5,6,6a-hexahydropentalen- 2-yl trifluoromethanesulfonate","","- C35 H41 F3 O5 S Si -","- C35 H41 F3 O5 S Si -","- C140 H164 F12 O20 S4 Si4 -","4","1","","Sheddan, Neil A.; Mulzer, Johann","Access to isocarbacyclin derivatives via substrate-controlled enolate formation: total synthesis of 15-deoxy-16-(m-tolyl)- 17,18,19,20-tetranorisocarbacyclin","Organic letters","2005","7","23","5115","5118","10.1021/ol0515762","","","0.71073","MoKα","","0.0499","0.04","","","0.0987","0.1051","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506700","7.418","0.0002","9.0469","0.0003","18.673","0.0006","90","","90","","90","","1253.14","0.07","150","2","150","2","","","","","","","Hon Lam, reaction PJC16A","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O3 -","- C13 H15 Cl O3 -","- C52 H60 Cl4 O12 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.","Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones.","Organic letters","2005","7","19","4225","4228","10.1021/ol051649h","","","0.71073","MoKα","","0.0432","0.0361","","","0.0918","0.0944","","","","","","1.078","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1506701","6.604","0.001","15.346","0.002","19.811","0.003","90","","90","","90","","2007.7","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O S2 -","- C22 H26 O S2 -","- C88 H104 O4 S8 -","4","1","","Xie, Xingang; Yue, Guoren; Tang, Shouchu; Huo, Xing; Liang, Qiren; She, Xuegong; Pan, Xinfu","Highly diastereoselective formation of 1,2,3-trisubstituted cyclopropane derivatives.","Organic letters","2005","7","18","4057","4059","10.1021/ol051653t","","","0.71073","MoKα","","0.053","0.0374","","","0.0756","0.0788","","","","","","0.885","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506714","6.1206","0.0005","12.592","0.001","14.007","0.001","90","","90","","90","","1079.53","0.15","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Dong, Lin; Xu, Yan-Jun; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu","Asymmetric nitroallylation of arylboronic acids with nitroallyl acetates catalyzed by chiral rhodium complexes and its application in a concise total synthesis of optically pure (+)-gamma-lycorane.","Organic letters","2005","7","19","4285","4288","10.1021/ol051795n","","","0.71073","MoKα","","0.0543","0.0327","","","0.0652","0.07","","","","","","0.961","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506733","8.4","0.006","16.96","0.01","22.39","0.01","90","","90","","90","","3190","3","98.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 Bi Br3 N2 O6 -","- C24 H37 Bi Br3 N2 O6 -","- C96 H148 Bi4 Br12 N8 O24 -","4","1","","Kobayashi, Shü; Ogino, Tsuyoshi; Shimizu, Haruka; Ishikawa, Shunpei; Hamada, Tomoaki; Manabe, Kei","Bismuth triflate-chiral bipyridine complexes as water-compatible chiral Lewis acids.","Organic letters","2005","7","21","4729","4731","10.1021/ol051965w","","","0.7107","MoKα","","","0.051","","","","0.132","","","","","","1.007","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506738","10.3478","0.0005","9.7922","0.0005","18.2446","0.0012","90","","90","","90","","1848.68","0.18","148","","148","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Compound: 1-[(4R)-3-((2S)-1-methylpyrrolidin-2-yl)-4-phenyl- (1,4-dihydropyridyl)]-2,2-dimethylpropan-1-one","","- C21 H28 N2 O -","- C21 H28 N2 O -","- C84 H112 N8 O4 -","4","1","","Comins, Daniel L.; King, Laura S.; Smith, Emilie D.; Février, Florence C","Synthesis of C-4 substituted nicotine derivatives via an N-acylpyridinium salt of (S)-nicotine.","Organic letters","2005","7","22","5059","5062","10.1021/ol0520469","","","0.71073","MolybdenumKα","","0.029","0.029","","0.033","0.033","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506744","13.3595","0.0019","13.797","0.002","16.4","0.002","90","","90","","90","","3022.9","0.7","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 Cl3 Cr N2 O3 -","- C26 H42 Cl3 Cr N2 O3 -","- C104 H168 Cl12 Cr4 N8 O12 -","4","1","","Namba, Kosuke; Wang, Jiashi; Cui, Sheng; Kishi, Yoshito","Surprisingly efficient catalytic Cr-mediated coupling reactions.","Organic letters","2005","7","24","5421","5424","10.1021/ol052085k","","x-ray","0.71073","MoKα","","0.0854","0.0697","","","0.1555","0.164","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506745","13.7216","0.0002","14.7569","0.0002","15.8442","0.0003","90","","90","","90","","3208.26","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 Br3 O6 -","- C29 H45 Br3 O6 -","- C116 H180 Br12 O24 -","4","1","","Kubanek, Julia; Prusak, Anne C.; Snell, Terry W.; Giese, Rachel A.; Hardcastle, Kenneth I.; Fairchild, Craig R.; Aalbersberg, William; Raventos-Suarez, Carmen; Hay, Mark E.","Antineoplastic diterpene-benzoate macrolides from the Fijian red alga Callophycus serratus.","Organic letters","2005","7","23","5261","5264","10.1021/ol052121f","","","1.54178","CuKα","","0.0338","0.0322","","","0.0803","0.0812","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506746","11.924","0.003","13.948","0.003","21.755","0.005","90","","90","","90","","3618.2","1.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30.5 H51 Br3 O7.5 -","- C30.5 H51 Br3 O7.5 -","- C122 H204 Br12 O30 -","4","1","","Kubanek, Julia; Prusak, Anne C.; Snell, Terry W.; Giese, Rachel A.; Hardcastle, Kenneth I.; Fairchild, Craig R.; Aalbersberg, William; Raventos-Suarez, Carmen; Hay, Mark E.","Antineoplastic diterpene-benzoate macrolides from the Fijian red alga Callophycus serratus.","Organic letters","2005","7","23","5261","5264","10.1021/ol052121f","","","1.54178","CuKα","","0.1265","0.1174","","","0.2729","0.2797","","","","","","1.117","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506747","10.4525","0.0002","21.2119","0.0004","24.7104","0.0004","90","","90","","90","","5478.73","0.17","296.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Cl10 Fe N8 O6 -","- C43 H52 Cl10 Fe N8 O6 -","- C172 H208 Cl40 Fe4 N32 O24 -","4","1","","Moriuchi, Toshiyuki; Nagai, Takayoshi; Hirao, Toshikazu","Chirality organization of ferrocenes bearing dipeptide chains of heterochiral sequence.","Organic letters","2005","7","23","5265","5268","10.1021/ol052134t","","","0.7107","MoKα","","","0.0979","","","","0.2677","","","","","","2.033","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506748","21.0852","0.0005","24.6133","0.0007","10.401","0.0002","90","","90","","90","","5397.9","0.2","277.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Cl10 Fe N8 O6 -","- C43 H52 Cl10 Fe N8 O6 -","- C172 H208 Cl40 Fe4 N32 O24 -","4","1","","Moriuchi, Toshiyuki; Nagai, Takayoshi; Hirao, Toshikazu","Chirality organization of ferrocenes bearing dipeptide chains of heterochiral sequence.","Organic letters","2005","7","23","5265","5268","10.1021/ol052134t","","","0.7107","MoKα","","","0.096","","","","0.2639","","","","","","2.113","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506761","9.153","0.001","12.666","0.002","15.801","0.002","90","","90","","90","","1831.8","0.4","288","2","288","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N3 O2 -","- C21 H16 Cl N3 O2 -","- C84 H64 Cl4 N12 O8 -","4","1","","Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen","Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.","Organic letters","2005","7","23","5293","5296","10.1021/ol052283b","","","0.71073","MoKα","","0.0716","0.046","","","0.1045","0.1138","","","","","","0.966","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506766","9.686","0.004","23.733","0.009","25.31","0.009","90","","90","","90","","5818","4","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 Fe2 N2 O4 -","- C34 H40 Fe2 N2 O4 -","- C272 H320 Fe16 N16 O32 -","8","2","","Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi","Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.","Organic letters","2005","7","26","5809","5812","10.1021/ol0523291","","","0.7107","MoKα","","","0.053","","","","0.054","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506768","11.484","0.005","12.169","0.006","18.868","0.009","90","","90","","90","","2637","2","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Fe2 N2 O2 -","- C30 H40 Fe2 N2 O2 -","- C120 H160 Fe8 N8 O8 -","4","1","","Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi","Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.","Organic letters","2005","7","26","5809","5812","10.1021/ol0523291","","","0.7107","MoKα","","","0.061","","","","0.062","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506779","14.219","0.009","17.256","0.01","19.305","0.012","90","","90","","90","","4737","5","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Cl10 N2 O2 Rh S -","- C40 H41 Cl10 N2 O2 Rh S -","- C160 H164 Cl40 N8 O8 Rh4 S4 -","4","1","","Matharu, Daljit S.; Morris, David J.; Kawamoto, Aparecida M.; Clarkson, Guy J.; Wills, Martin","A stereochemically well-defined rhodium(III) catalyst for asymmetric transfer hydrogenation of ketones.","Organic letters","2005","7","24","5489","5491","10.1021/ol052559f","","","0.71073","MoKα","","0.13","0.057","","","0.1279","0.1641","","","","","","0.973","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506784","6.4784","0.0005","9.8027","0.0009","26.807","0.003","90","","90","","90","","1702.4","0.3","150","","150","","","","","","","","G. Murray","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C68 H92 N4 O20 -","4","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0743","0.0442","","0.1042","0.0905","0.1042","","","","","","0.941","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506786","9.757","0.003","10.425","0.003","11.465","0.004","90","","90","","90","","1166.2","0.6","207","2","207","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C52 H80 O8 -","4","1","","Lavigne, Roch M. A.; Riou, Maxime; Girardin, Mélina; Morency, Louis; Barriault, Louis","Synthesis of highly functionalized bicyclo[m.n.1]alkanones via a cationic reaction cascade.","Organic letters","2005","7","26","5921","5923","10.1021/ol0527072","","","0.71073","MoKα","","0.0415","0.0368","","","0.0835","0.0854","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506791","6.1214","0.0007","10.1587","0.0012","31.893","0.004","90","","90","","90","","1983.3","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1S trans, αR)","","","- C21 H19 Cl2 N O3 -","- C21 H19 Cl2 N O3 -","- C84 H76 Cl8 N4 O12 -","4","1","","Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.","Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.","Chemical research in toxicology","2005","18","3","516","527","10.1021/tx049773h","","","0.71073","MoKα","","0.0284","0.0254","","","0.0626","0.065","","","","","","1.069","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506792","6.1223","0.0008","10.1589","0.0013","31.893","0.004","90","","90","","90","","1983.6","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1R trans, αS)","","","- C21 H19 Cl2 N O3 -","- C21 H19 Cl2 N O3 -","- C84 H76 Cl8 N4 O12 -","4","1","","Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.","Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.","Chemical research in toxicology","2005","18","3","516","527","10.1021/tx049773h","","","0.71073","MoKα","","0.0303","0.027","","","0.0674","0.0701","","","","","","1.037","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506793","5.7009","0.0006","18.4406","0.0019","19.793","0.002","90","","90","","90","","2080.8","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2R,αS","","","- C24 H22 Cl N O3 -","- C24 H22 Cl N O3 -","- C96 H88 Cl4 N4 O12 -","4","1","","Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.","Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.","Chemical research in toxicology","2005","18","3","516","527","10.1021/tx049773h","","","0.71073","MoKα","","0.0432","0.0322","","","0.0725","0.0802","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506801","5.2746","0.0003","16.1821","0.0008","20.485","0.001","90","","90","","90","","1748.48","0.16","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(4-Methoxyphenyl)-2,6-diphenylpyrimidine","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C92 H72 N8 O4 -","4","1","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.0576","0.0492","","","0.1266","0.1313","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506804","9.907","0.0004","10.077","0.0003","19.678","0.0004","90","","90","","90","","1964.51","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 F N2 O3 -","- C19 H27 F N2 O3 -","- C76 H108 F4 N8 O12 -","4","1","","Saitton, Stina; Del Tredici, Andria L.; Mohell, Nina; Vollinga, Roeland C.; Boström, Dan; Kihlberg, Jan; Luthman, Kristina","Design, synthesis and evaluation of a PLG tripeptidomimetic based on a pyridine scaffold.","Journal of medicinal chemistry","2004","47","26","6595","6602","10.1021/jm049484q","","x-ray","0.71073","MoKα","","0.0668","0.0423","","","0.0862","0.0939","","","","","","0.983","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506823","5.655","0.001","10.644","0.001","12.35","0.001","90","","90","","90","","743.37","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","tetrafluorophthalonitrile","3,4,5,6-tetrafluoro-1,2-benzenedicarbonitrile","","- C8 F4 N2 -","- C8 F4 N2 -","- C32 F16 N8 -","4","1","","Hibbs, David E.; Overgaard, Jacob; Platts, James A.; Waller, Mark P.; Hursthouse, Michael B.","Experimental and Theoretical Charge Density Studies of Tetrafluorophthalonitrile and Tetrafluoroisophthalonitrile","The Journal of Physical Chemistry B","2004","108","11","3663","","10.1021/jp037700l","","","0.7107","MoKα","","0.031","0.031","","","","","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506848","17.547","0.002","25.181","0.002","9.817","0.001","90","","90","","90","","4337.7","0.7","193.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H34 Cl4 N5 Rh -","- C50 H34 Cl4 N5 Rh -","- C200 H136 Cl16 N20 Rh4 -","4","1","","Ikeda, Taichi; Asakawa, Masumi; Goto, Midori; Miyake, Koji; Ishida, Takao; Shimizu, Toshimi","STM Observation of Alkyl-Chain-Assisted Self-Assembled Monolayers of Pyridine-Coordinated Porphyrin Rhodium Chlorides","Langmuir","2004","20","13","5454","","10.1021/la049577a","","","0.7107","MoKα","","","0.056","","","","0.1549","","","","","","1.197","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506855","4.7799","0.0006","9.3152","0.0009","24.7353","0.0019","90","","90","","90","","1101.36","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 O S -","- C10 H12 N2 O S -","- C40 H48 N8 O4 S4 -","4","1","","Vriezema, Dennis M.; Kros, Alexander; de Gelder, René; Cornelissen, Jeroen J. L. M.; Rowan, Alan E.; Nolte, Roeland J. M.","Electroformed Giant Vesicles from Thiophene-Containing Rod−Coil Diblock Copolymers","Macromolecules","2004","37","12","4736","","10.1021/ma035789n","","","0.71073","MoKα","","0.1477","0.0606","","0.1728","0.1336","0.1728","","","1.035","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506869","10.044","0.002","10.216","0.002","21.784","0.004","90","","90","","90","","2235.2","0.7","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O5 -","- C25 H26 O5 -","- C100 H104 O20 -","4","1","","Ma, Chun-Hui; Chen, Bin; Qi, Hua-Yi; Li, Bo-Gang; Zhang, Guo-Lin","Two pyranocoumarins from the seeds of Calophyllum polyanthum.","Journal of natural products","2004","67","9","1598","1600","10.1021/np0499158","","","0.71073","MoKα","","0.1146","0.0365","","","0.0606","0.07","","","","","","0.801","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506870","4.054","0.001","16.202","0.006","23.979","0.009","90","","90","","90","","1575","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Benyahia, Samira; Benayache, Samir; Benayache, Fadila; Quintana, José; López, Matías; León, Francisco; Hernández, Juan C; Estévez, Francisco; Bermejo, Jaime","Isolation from Eucalyptus occidentalis and identification of a new kaempferol derivative that induces apoptosis in human myeloid leukemia cells.","Journal of natural products","2004","67","4","527","531","10.1021/np049960f","","","0.71073","MoKα","","0.081","0.0548","","","0.1173","0.129","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506878","6.0993","0.0006","9.9481","0.001","13.1235","0.0013","90","","90","","90","","796.29","0.14","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","","Du, Yanming; Creighton, Christopher J.; Tounge, Brett A.; Reitz, Allen B.","Noncovalent self-assembly of bicyclo[4.2.2]diketopiperazines: influence of saturation in the bridging carbacyclic ring.","Organic letters","2004","6","3","309","312","10.1021/ol036101u","","","0.71073","MoKα","","0.0668","0.0415","","","0.0764","0.0827","","","","","","0.969","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506883","19.0887","0.0014","27.889","0.002","28.778","0.002","90","","90","","90","","15320.4","1.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C153 H186 Cl2 O8 P8 Pt4 -","- C153 H185 Cl2 O8 P8 Pt4 -","- C612 H740 Cl8 O32 P32 Pt16 -","4","1","","Hua, Jiang; Lin, Wenbin","Chiral metallacyclophanes: self-assembly, characterization, and application in asymmetric catalysis.","Organic letters","2004","6","6","861","864","10.1021/ol036111v","","","0.71073","MoKα","","0.1825","0.0759","","","0.1766","0.2403","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506907","6.8014","0.0001","12.835","0.0002","21.757","0.0003","90","","90","","90","","1899.3","0.05","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl Hg N O4 S -","- C18 H26 Cl Hg N O4 S -","- C72 H104 Cl4 Hg4 N4 O16 S4 -","4","1","","Nguyen, Giang; Perlmutter, Patrick; Rose, Mark L.; Vounatsos, Filisaty","A new nucleophilic addition/ring-closure sequence. Enantioselective synthesis of 3-deoxy-8-oxatropanes.","Organic letters","2004","6","6","893","895","10.1021/ol036404o","","","0.7107","MoKα","","0.0465","0.0382","","0.0358","","0.0351","","","2.553","","","2.676","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506911","9.245","0.001","11.945","0.001","32.509","0.001","90","","90","","90","","3590","0.5","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H45 N O2 Si Sn -","- C37 H45 N O2 Si Sn -","- C148 H180 N4 O8 Si4 Sn4 -","4","1","","Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter","Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates.","Organic letters","2004","6","5","783","786","10.1021/ol0364677","","","0.71073","MoKα","","0.0682","0.0396","","","0.0607","0.0677","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506912","9.895","0.001","11.67","0.001","22.943","0.001","90","","90","","90","","2649.3","0.4","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 N O3 Si -","- C24 H39 N O3 Si -","- C96 H156 N4 O12 Si4 -","4","1","","Reuber, Jenny; Fröhlich, Roland; Hoppe, Dieter","Highly enantioenriched homoenolate reagents by asymmetric gamma-deprotonation of achiral 1-silyl-substituted 1-alkenyl carbamates.","Organic letters","2004","6","5","783","786","10.1021/ol0364677","","","0.71073","MoKα","","0.0774","0.047","","","0.1048","0.1166","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506918","6.3768","0.0005","8.3652","0.0006","23.9945","0.0018","90","","90","","90","","1279.94","0.17","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O9 -","- C11 H14 O9 -","- C44 H56 O36 -","4","1","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0361","0.0355","","","0.0885","0.089","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506920","8.3616","0.0006","10.4148","0.0007","11.2854","0.0007","90","","90","","90","","982.78","0.11","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 O8 -","- C8 H10 O8 -","- C32 H40 O32 -","4","1","","Kelly, T. Ross; Cai, Xiaolu; Tu, Bin; Elliott, Eric L.; Grossmann, Gilles; Laurent, Pierre","Asymmetric synthesis of the AB ring system of lactonamycin.","Organic letters","2004","6","26","4953","4956","10.1021/ol047922h","","","0.71073","MoKα","","0.0348","0.034","","","0.0935","0.0942","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506929","8.729","0.008","11.35","0.01","20.09","0.02","90","","90","","90","","1990","3","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","1","","Takano, Masashi; Umino, Akinori; Nakada, Masahisa","Synthetic studies on cyathins: enantioselective total synthesis of (+)-allocyathin B2.","Organic letters","2004","6","26","4897","4900","10.1021/ol048010i","","","0.7107","MoKα","","","0.032","","","","0.082","","","","","","0.954","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506950","10.6312","0.0006","13.4978","0.0009","24.4697","0.0016","90","","90","","90","","3511.3","0.4","243","2","243","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 B F9 N2 O4 P S2 -","- C27 H43 B F9 N2 O4 P S2 -","- C108 H172 B4 F36 N8 O16 P4 S8 -","4","1","","Duncan, Andrew P.; Leighton, James L.","Enantioselective Cu-catalyzed conjugate addition of diethylzinc to acyclic aliphatic enones.","Organic letters","2004","6","22","4117","4119","10.1021/ol048191o","","","0.71073","MoKα","","0.0779","0.0526","","","0.1346","0.1472","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506959","6.9465","0.0003","13.0021","0.0005","20.3093","0.0008","90","","90","","90","","1834.32","0.13","158","2","158","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O3 S -","- C19 H26 N2 O3 S -","- C76 H104 N8 O12 S4 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.036","0.0307","","","0.0703","0.0729","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506960","7.9972","0.0004","11.8432","0.0005","14.5588","0.0006","90","","90","","90","","1378.9","0.11","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N3 O S -","- C13 H21 N3 O S -","- C52 H84 N12 O4 S4 -","4","1","","Overman, Larry E.; Velthuisen, Emile J.","Stereocontrolled construction of either stereoisomer of 12-oxatricyclo[6.3.1.0(2,7)]dodecanes using Prins-pinacol reactions.","Organic letters","2004","6","21","3853","3856","10.1021/ol0482745","","","0.71073","MoKα","","0.0252","0.024","","","0.0623","0.0634","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506968","9.4372","0.0008","20.8127","0.0016","36.61","0.003","90","","90","","90","","7190.7","1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N O4 -","- C17 H18 Br N O4 -","- C272 H288 Br16 N16 O64 -","16","4","","Andreana, Peter R.; Liu, Chang C.; Schreiber, Stuart L.","Stereochemical control of the Passerini reaction.","Organic letters","2004","6","23","4231","4233","10.1021/ol0482893","","","0.71073","MoKα","","0.142","0.0622","","","0.0992","0.1229","","","","","","0.986","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506975","6.4665","0.0004","17.5592","0.001","23.0312","0.0013","90","","90","","90","","2615.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 F3 N O5 S -","- C28 H30 F3 N O5 S -","- C112 H120 F12 N4 O20 S4 -","4","1","","Peelen, Timothy J.; Chi, Yonggui; English, Emily Payne; Gellman, Samuel H.","Synthesis of 4,4-disubstituted 2-aminocyclopentanecarboxylic acid derivatives and their incorporation into 12-helical beta-peptides.","Organic letters","2004","6","24","4411","4414","10.1021/ol0483293","","","0.71073","MoKα","","0.0314","0.0281","","","0.0791","0.0827","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506978","8.134","0.0002","12.218","0.0007","18.929","0.0009","90","","90","","90","","1881.19","0.15","298","","","","","","","","","","Nakamura laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.04","0.039","","0.091","0.091","0.091","","","0.235","0.234","0.234","0.234","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506979","6.368","0.0003","8.179","0.0003","38.824","0.0009","90","","90","","90","","2022.1","0.13","298","","","","","","","","","","Nakamura laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O7 -","- C21 H24 O7 -","- C84 H96 O28 -","4","1","","Isobe, Hiroyuki; Sato, Sota; Tanaka, Takatsugu; Tokuyama, Hidetoshi; Nakamura, Eiichi","Thermal and palladium-catalyzed [3 + 2] synthesis of cyclopentadienone acetals from cyclopropenone acetals and acetylenes.","Organic letters","2004","6","20","3569","3571","10.1021/ol0483450","","","0.71073","MoKα","","0.044","0.042","","0.094","0.094","0.094","","","0.297","0.294","0.294","0.294","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506987","13.4279","0.0002","16.455","0.0002","17.0828","0.0002","90","","90","","90","","3774.55","0.08","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H50 N2 O3 Si2 -","- C40 H50 N2 O3 Si2 -","- C160 H200 N8 O12 Si8 -","4","1","","Palomo, Claudio; Aizpurua, Jesus M.; Ganboa, Iñaki; Benito, Ana; Cuerdo, Lourdes; Fratila, Raluca M.; Jimenez, Azucena; Loinaz, Iraida; Miranda, José I; Pytlewska, Kinga R.; Micle, Andreea; Linden, Anthony","Synthesis of type II beta-turn surrogate dipeptides based on syn-alpha-amino-alpha,beta-dialkyl-beta-lactams.","Organic letters","2004","6","24","4443","4446","10.1021/ol048348c","","","0.71073","MoKα","","0.0721","0.0419","","","0.0858","0.0978","","","","","","1.014","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506992","8.66","0.001","13.115","0.001","23.23","0.001","90","","90","","90","","2638.4","0.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C112 H156 N4 O16 -","4","1","","Gudimalla, Nagaraju; Fröhlich, Roland; Hoppe, Dieter","Stereoselective synthesis of Baylis-Hillman-type adducts via allenolates generated by acyl migration.","Organic letters","2004","6","22","4005","4008","10.1021/ol0483908","","","1.54178","CuKα","","0.0714","0.0564","","","0.1411","0.1524","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507003","8.2637","0.0004","8.5345","0.0004","21.871","0.001","90","","90","","90","","1542.49","0.13","169.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 N2 O2 S2 -","- C14 H28 N2 O2 S2 -","- C56 H112 N8 O8 S8 -","4","1","","Schenkel, Laurie B.; Ellman, Jonathan A.","Self-condensation of N-tert-butanesulfinyl aldimines: application to the rapid asymmetric synthesis of biologically important amine-containing compounds.","Organic letters","2004","6","20","3621","3624","10.1021/ol048458j","","","0.7107","MoKα","","","0.0335","","","","0.0432","","","","","","1.953","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507012","6.2915","0.001","16.082","0.003","30.679","0.005","90","","90","","90","","3104.1","0.9","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H54 O2 -","- C35 H54 O2 -","- C140 H216 O8 -","4","1","","Chen, Shui-Ling; Hu, Qi-Ying; Loh, Teck-Peng","Highly efficient chemical kinetic resolution of bishomoallylic alcohols: synthesis of (R)-sulcatol.","Organic letters","2004","6","19","3365","3367","10.1021/ol048608q","","","0.71073","MoKα","","0.1117","0.083","","","0.1702","0.1836","","","","","","1.102","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507027","9.2256","0.0004","16.5536","0.0008","21.0141","0.001","90","","90","","90","","3209.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Fe N2 O3 P -","- C37 H35 Fe N2 O3 P -","- C148 H140 Fe4 N8 O12 P4 -","4","1","","Hou, Xue-Long; Sun, Na","Construction of chiral quaternary carbon centers by Pd-catalyzed asymmetric allylic substitution with P,N-1,1'-ferrocene ligands.","Organic letters","2004","6","24","4399","4401","10.1021/ol048729q","","","0.71073","MoKα","","0.0995","0.0362","","","0.0482","0.0539","","","","","","0.645","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507033","10.9208","0.0019","19.911","0.004","7.9921","0.0014","90","","90","","90","","1737.8","0.6","206","2","206","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C76 H120 O16 -","4","1","","Sauer, Effiette L. O.; Barriault, Louis","Studies toward the total synthesis of Wiedemannic acid.","Organic letters","2004","6","19","3329","3332","10.1021/ol0487635","","","0.71073","MoKα","","0.0887","0.0646","","","0.1373","0.1455","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507034","10.848","0.0003","11.075","0.0002","44.85","0.0015","90","","90","","90","","5388.4","0.3","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O3 S -","- C32 H30 N2 O3 S -","- C256 H240 N16 O24 S8 -","8","2","","Scott, Mark E.; Han, Wooseok; Lautens, Mark","A highly diastereoselective MgI2-mediated ring expansion of methylenecyclopropanes.","Organic letters","2004","6","19","3309","3312","10.1021/ol048769u","","","0.71073","MoKα","","0.0604","0.0441","","","0.0983","0.108","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507046","5.8657","0.0002","13.2154","0.0004","30.0592","0.001","90","","90","","90","","2330.12","0.13","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4:15,16-Dibenzo-5,14-dioxa-bicyclo[16.3.1]docosa-1,3,15,17-tetraen-22-one","","- C28 H32 O3 -","- C28 H32 O3 -","- C112 H128 O12 -","4","1","","Higham, Luke T.; Kreher, Ulf P.; Raston, Colin L.; Scott, Janet L.; Strauss, Christopher R.","A new family of macrocycles produced by sequential Claisen-Schmidt condensations.","Organic letters","2004","6","19","3257","3259","10.1021/ol048922k","","","0.71073","MoKα","","0.1755","0.0627","","","0.12","0.1505","","","","","","0.901","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507055","11.856","0.0003","24.0874","0.0006","24.6255","0.0007","90","","90","","90","","7032.6","0.3","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C71 H72 Cl2 N2 P2 Ru Si2 -","- C71 H72 Cl2 N2 P2 Ru Si2 -","- C284 H288 Cl8 N8 P8 Ru4 Si8 -","4","1","","Hu, Aiguo; Ngo, Helen L.; Lin, Wenbin","4,4'-Disubstituted BINAPs for highly enantioselective Ru-catalyzed asymmetric hydrogenation of ketones.","Organic letters","2004","6","17","2937","2940","10.1021/ol048993j","","","0.71073","MoKα","","0.0692","0.0615","","","0.1763","0.1835","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507065","8.6888","0.0012","16.996","0.002","43.583","0.006","90","","90","","90","","6436.1","1.5","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72.1 H84.4 N6 O6.1 -","- C72.1 H78 N6 O6.1 -","- C288.4 H312 N24 O24.4 -","4","1","","Gao, Jian; Zingaro, Ralph A.; Reibenspies, Joseph H.; Martell, Arthur E.","Direct observation of enantioselective synergism at trimetallic centers.","Organic letters","2004","6","14","2453","2455","10.1021/ol049156k","","","0.71073","MoKα","","0.1372","0.0603","","","0.144","0.1575","","","","","","0.832","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507072","18.0215","0.0002","24.0218","0.0003","36.5073","0.0004","90","","90","","90","","15804.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61.75 H66.5 Br4 Cl11.5 O16 -","- C61.75 H66.5 Br4 Cl11.5 O16 -","- C494 H532 Br32 Cl92 O128 -","8","2","","Nummelin, Sami; Falabu, Deszö; Shivanyuk, Alexander; Rissanen, Kari","Alkoxy-, acyloxy-, and bromomethylation of resorcinarenes.","Organic letters","2004","6","17","2869","2872","10.1021/ol049179z","","","0.71073","MoKα","","0.1125","0.0785","","","0.2057","0.2279","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507085","9.0453","0.0007","9.5125","0.0008","35.549","0.003","90","","90","","90","","3058.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Br N2 O7 -","- C31.8 H31 Br N2 O7 -","- C127.2 H124 Br4 N8 O28 -","4","1","","Ma, Shengming; Jiao, Ning; Zheng, Zilong; Ma, Zhichao; Lu, Zhan; Ye, Longwu; Deng, Youqian; Chen, Guofei","Cu- and Pd-catalyzed asymmetric one-pot tandem addition-cyclization reaction of 2-(2',3'-alkadienyl)-beta-keto esters, organic halides, and dibenzyl azodicarboxylate: an effective protocol for the enantioselective synthesis of pyrazolidine derivatives.","Organic letters","2004","6","13","2193","2196","10.1021/ol0493498","","","0.71073","MoKα","","0.1458","0.0629","","","0.1517","0.1777","","","","","","0.791","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507086","8.9635","0.0009","10.2834","0.0011","32.786","0.004","90","","90","","90","","3022.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Br N2 O7 -","- C32 H31 Br N2 O7 -","- C128 H124 Br4 N8 O28 -","4","1","","Ma, Shengming; Jiao, Ning; Zheng, Zilong; Ma, Zhichao; Lu, Zhan; Ye, Longwu; Deng, Youqian; Chen, Guofei","Cu- and Pd-catalyzed asymmetric one-pot tandem addition-cyclization reaction of 2-(2',3'-alkadienyl)-beta-keto esters, organic halides, and dibenzyl azodicarboxylate: an effective protocol for the enantioselective synthesis of pyrazolidine derivatives.","Organic letters","2004","6","13","2193","2196","10.1021/ol0493498","","","0.71073","MoKα","","0.1077","0.0469","","","0.0813","0.0928","","","","","","0.797","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507089","5.8532","0.0004","14.5436","0.001","19.3274","0.0014","90","","90","","90","","1645.3","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methoxyphenyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-methanol","","- C20 H16 N2 O2 S -","- C20 H16 N2 O2 S -","- C80 H64 N8 O8 S4 -","4","1","","Therkelsen, Frans D.; Rottländer, Mario; Thorup, Niels; Pedersen, Erik Bjerregaard","4-metalated condensed pyrimidines: their preparation and reaction with aldehydes under Barbier-type conditions.","Organic letters","2004","6","12","1991","1994","10.1021/ol049432v","","","0.71073","MoKα","","0.0387","0.0367","","","0.0973","0.0985","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507091","7.407","0.001","7.833","0.001","30.59","0.002","90","","90","","90","","1774.8","0.3","133.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Nagao, Yoshimitsu; Tanaka, Satoru; Ueki, Akiharu; Kumazawa, Masunori; Goto, Satoru; Ooi, Takashi; Sano, Shigeki; Shiro, Motoo","New ring-expansion reactions of hydroxy propenoyl cyclic compounds under palladium(0)/phosphine-catalyzed conditions","Organic Letters","2004","6","13","2133","2136","10.1021/ol049450c","","","0.7107","MoKα","","","0.0419","","","","0.1155","","","","","","1.337","","","","has coordinates","275141","2022-05-06","20:13:42",""
"1507092","12.2613","0.0005","12.4185","0.0005","23.9133","0.0011","90","","90","","90","","3641.2","0.3","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 Cl N4 O2 Pd -","- C41 H45 Cl N4 O2 Pd -","- C164 H180 Cl4 N16 O8 Pd4 -","4","1","","Takenaka, Kazuhiro; Uozumi, Yasuhiro","Development of chiral pincer palladium complexes bearing a pyrroloimidazolone unit. Catalytic use for asymmetric Michael addition.","Organic letters","2004","6","11","1833","1835","10.1021/ol0494515","","","0.7107","MoKα","","","0.023","","","","0.06","","","","","","0.94","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507094","11.188","0.002","25.291","0.002","29.152","0.005","90","","90","","90","","8249","2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H124 N2 O36 -","- C70.988 H124 N2 O35.994 -","- C283.952 H496 N8 O143.976 -","4","1","","Mieusset, Jean-Luc; Krois, Daniel; Pacar, Mirjana; Brecker, Lothar; Giester, Gerald; Brinker, Udo H.","Supramolecular recognition and structural elucidation of inclusion complexes of an achiral carbene precursor in beta- and permethylated beta-cyclodextrin.","Organic letters","2004","6","12","1967","1970","10.1021/ol049478o","","","0.71073","MoKα","","0.0689","0.0517","","","0.1241","0.1366","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507120","9.21","0.002","14.639","0.003","17.498","0.004","90","","90","","90","","2359.2","0.9","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","","Stierle, Donald B.; Stierle, Andrea A.; Hobbs, J. David; Stokken, Janalee; Clardy, Jon","Berkeleydione and berkeleytrione, new bioactive metabolites from an acid mine organism.","Organic letters","2004","6","6","1049","1052","10.1021/ol049852k","","","0.71073","MoKα","","0.0565","0.0449","","","0.1055","0.1121","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507122","8.732","0.0005","13.9621","0.0013","21.7439","0.0014","90","","90","","90","","2651","0.3","173","","173","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N5 O7 -","- C23 H35 N5 O7 -","- C92 H140 N20 O28 -","4","1","","Bonauer, Christoph; Zabel, Manfred; König, Burkhard","Synthesis and peptide binding properties of methoxypyrrole amino acids (MOPAS).","Organic letters","2004","6","9","1349","1352","10.1021/ol049855x","","","0.71073","MoKα","","0.0794","0.0743","","","0.1988","0.2022","","","","","","1.11","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507149","9.626","0.0003","10.836","0.0004","17.7861","0.0006","90","","90","","90","","1855.22","0.11","100","2","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 N O6 -","- C15 H27 N O6 -","- C60 H108 N4 O24 -","4","1","","Wong, Margaret L.; Guzei, Ilia A.; Kiessling, Laura L.","An Asymmetric Synthesis of l-Pyrrolysine.","Organic letters","2012","14","6","1378","1381","10.1021/ol300045c","","","1.54178","Cu-Kα","","0.0274","0.0273","","","0.0729","0.073","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507150","5.9069","0.0005","7.8185","0.0009","30.936","0.003","90","","90","","90","","1428.7","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-4-((4S,5R)-5-(4-bromophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl)oxazolidin-2-one","","- C14 H16 Br N O4 -","- C14 H16 Br N O4 -","- C56 H64 Br4 N4 O16 -","4","1","","Jiang, Chao; Covell, Dustin J.; Stepan, Antonia F.; Plummer, Mark S.; White, M. Christina","Sequential Allylic C-H Amination/Vinylic C-H Arylation: A Strategy for Unnatural Amino Acid Synthesis from α-Olefins.","Organic letters","2012","14","6","1386","1389","10.1021/ol300063t","","","0.71073","MoKα","","0.0774","0.0464","","","0.0915","0.1018","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507154","10.243","0.0004","10.5955","0.0005","23.2804","0.0009","90","","90","","90","","2526.61","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 O9 -","- C27 H36 O9 -","- C108 H144 O36 -","4","1","","Luo, Xiao; Shi, Yi-Ming; Luo, Rong-Hua; Luo, Shi-Hong; Li, Xiao-Nian; Wang, Rui-Rui; Li, Sheng-Hong; Zheng, Yong-Tang; Du, Xue; Xiao, Wei-Lie; Pu, Jian-Xin; Sun, Han-Dong","Schilancitrilactones A-C: three unique nortriterpenoids from Schisandra lancifolia.","Organic Letters","2012","14","5","1286","1289","10.1021/ol300099e","","","1.54178","CuKα","","0.0341","0.0341","","","0.0872","0.0872","","","","","","1.103","","","","has coordinates","218683","2020-10-21","18:00:00",""
"1507155","5.2405","0.0005","8.5569","0.0007","27.083","0.002","90","","90","","90","","1214.47","0.18","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Abdelkafi, Hajer; Herson, Patrick; Nay, Bastien","Asymmetric synthesis of the oxygenated polycyclic system of (+)-harringtonolide.","Organic letters","2012","14","5","1270","1273","10.1021/ol300133x","","","0.71073","MoKα","","0.0428","0.0395","","0.1089","0.1069","0.1089","","","","","","1.0788","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507156","6.2522","0.0005","7.9375","0.0006","18.4228","0.0016","90","","90","","90","","914.27","0.13","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Abdelkafi, Hajer; Herson, Patrick; Nay, Bastien","Asymmetric synthesis of the oxygenated polycyclic system of (+)-harringtonolide.","Organic letters","2012","14","5","1270","1273","10.1021/ol300133x","","","0.71073","MoKα","","0.0551","0.0524","","0.1316","0.129","0.1314","","","","","","0.9096","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507160","5.5479","0.0012","8.1165","0.0003","25.0347","0.0008","90","","90","","90","","1127.3","0.2","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","","Fujita, Morifumi; Mori, Kazuhiro; Shimogaki, Mio; Sugimura, Takashi","Asymmetric Synthesis of 4,8-Dihydroxyisochroman-1-one Polyketide Metabolites Using Chiral Hypervalent Iodine(III).","Organic letters","2012","14","5","1294","1297","10.1021/ol300185u","","","0.71069","MoKα","","","0.0691","","","","0.066","","","","","","1.35","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507161","4.4554","0.0016","11.569","0.004","20.465","0.007","90","","90","","90","","1054.9","0.6","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 Br O3 -","- C11 H9 Br O3 -","- C44 H36 Br4 O12 -","4","1","","Fujita, Morifumi; Mori, Kazuhiro; Shimogaki, Mio; Sugimura, Takashi","Asymmetric Synthesis of 4,8-Dihydroxyisochroman-1-one Polyketide Metabolites Using Chiral Hypervalent Iodine(III).","Organic letters","2012","14","5","1294","1297","10.1021/ol300185u","","","0.71075","MoKα","","","0.0474","","","","0.1467","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507162","7.087","0.0004","13.3538","0.0015","30.334","0.002","90","","90","","90","","2870.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29.5 Cl2 N O5.25 -","- C33 H29.5 Cl2 N O5.25 -","- C132 H118 Cl8 N4 O21 -","4","1","","Liu, Yankai; Nappi, Manuel; Escudero-Adán, Eduardo C; Melchiorre, Paolo","Multicatalytic Asymmetric Synthesis of Complex Tetrahydrocarbazoles via a Diels-Alder/Benzoin Reaction Sequence.","Organic letters","2012","14","5","1310","1313","10.1021/ol300192p","","","0.71073","MoKα","","0.0372","0.0331","","","0.0871","0.0919","","","","","","1.122","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507165","9.3849","0.0003","11.4951","0.0005","31.3337","0.0008","90","","90","","90","","3380.3","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H18 B F15 Si -","- C37 H18 B F15 Si -","- C148 H72 B4 F60 Si4 -","4","1","","Liedtke, René; Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","1,1-carboboration route to substituted naphthalenes.","Organic letters","2012","14","6","1448","1451","10.1021/ol300193e","","","1.54178","CuKα","","0.0925","0.0879","","","0.2453","0.2533","","","","","","1.059","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507166","5.2757","0.0001","9.3605","0.0002","31.0792","0.0006","90","","90","","90","","1534.79","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O7 S -","- C12 H16 N2 O7 S -","- C48 H64 N8 O28 S4 -","4","1","","Turcotte, Stéphane; Bouayad-Gervais, Samir H; Lubell, William D.","N-Aminosulfamide Peptide Mimic Synthesis by Alkylation of Aza-sulfurylglycinyl Peptides.","Organic letters","2012","14","5","1318","1321","10.1021/ol3001987","","","1.54178","CuKα","","0.0292","0.029","","","0.0805","0.0807","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507176","7.8925","0.0002","14.7158","0.0005","15.8394","0.0006","90","","90","","90","","1839.66","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Lyżwa, Dawid; Dudziński, Krzysztof; Kwiatkowski, Piotr","High-pressure accelerated asymmetric organocatalytic friedel-crafts alkylation of indoles with enones: application to quaternary stereogenic centers construction.","Organic letters","2012","14","6","1540","1543","10.1021/ol300274u","","","0.71073","MoKα","","0.0401","0.0328","","","0.0766","0.0802","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507192","13.3486","0.0006","14.6574","0.0006","20.1067","0.0014","90","","90","","90","","3934","0.4","185","2","185","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-[(2R,5aR,9aS)-9a-((R)]-(3,5-dimethoxyphenyl)(methoxymethoxy) methyl)-2,6,7,8,9,9a-hexahydro-1H-2,5a-epoxybenzo[d]oxepine","","- C21 H28 O6 -","- C21 H28 O6 -","- C168 H224 O48 -","8","2","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.0477","0.039","","","0.0952","0.1118","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507203","6.7785","0.0002","8.1193","0.0003","30.163","0.002","90","","90","","90","","1660.07","0.14","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","((2S,2aS,6aS,8R,12bR)-10-methoxy-9,11-dimethyl-2,3,4,5,6,7,8,12b -octahydro-2a,8-epoxynaphtho[1,2-c]isobenzofuran-2-yl)methanol","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Castillo, Rafael R.; Aquino, Maurizio; Gandara, Zoila; Safir, Imad; Elkhayat, Zobida; Retailleau, Pascal; Arseniyadis, Siméon","Diverging Pathways to Topologically Complex Polycyclic Bis-acetals and Their Ring System Interchange.","Organic letters","2012","14","6","1628","1631","10.1021/ol300388b","","","1.54187","CuKα","","0.0936","0.0689","","","0.1508","0.1871","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507205","7.895","0.003","12.619","0.005","15.784","0.006","90","","90","","90","","1572.5","1.1","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C72 H88 O20 -","4","1","","Ogura, Akihiro; Yamada, Kohei; Yokoshima, Satoshi; Fukuyama, Tohru","Total synthesis of (-)-anisatin.","Organic letters","2012","14","6","1632","1635","10.1021/ol300390k","","","1.54187","CuKα","","","0.034","","","","0.0894","","","","","","0.894","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507218","6.1356","0.0002","9.5362","0.0003","11.899","0.0004","90","","90","","90","","696.21","0.04","173","2","173","2","","","","","","","Prof. A. Sykes - USD","5","P 21 21 21","P 2ac 2ab","19","p-ClC6H4NHCHO","","","- C7 H6 Cl N O -","- C7 H6 Cl N O -","- C28 H24 Cl4 N4 O4 -","4","1","","Tam, Cheok N.; Cowan, John A.; Schultz, Arthur J.; Young, Jr., Victor G.; Trouw, Frans R.; Sykes, Andrew G.","Neutron and X-ray Diffraction, Inelastic Neutron Scattering, and Solid-State13C NMR Investigations of Polymorphicp-Chlorophenylformamide: Absence of Proton Transfer along the Intermolecular N‒H⋯O Hydrogen Bond","The Journal of Physical Chemistry B","2003","107","31","7601","7606","10.1021/jp034271i","","","0.71073","MoKα","","0.0585","0.0531","","0.1562","0.1495","","","","1.077","1.094","1.094","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507219","6.0873","0.001","9.571","0.003","12.076","0.004","90","","90","","90","","703.6","0.3","20","2","20","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","p-ClC6H4NHCHO","","","- C7 H6 Cl N O -","- C7 H6 Cl N O -","- C28 H24 Cl4 N4 O4 -","4","1","","Tam, Cheok N.; Cowan, John A.; Schultz, Arthur J.; Young, Jr., Victor G.; Trouw, Frans R.; Sykes, Andrew G.","Neutron and X-ray Diffraction, Inelastic Neutron Scattering, and Solid-State13C NMR Investigations of Polymorphicp-Chlorophenylformamide: Absence of Proton Transfer along the Intermolecular N‒H⋯O Hydrogen Bond","The Journal of Physical Chemistry B","2003","107","31","7601","7606","10.1021/jp034271i","","neutron","","neutron","","0.094","0.09","","","0.094","0.096","","","3.05","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507220","9.5704","0.0002","11.9479","0.0001","18.4555","0.0002","90","","90","","90","","2110.32","0.05","173","2","173","2","","","","","","","Prof. A. Sykes - USD","5","P 21 21 21","P 2ac 2ab","19","p-ClC6H4NHCHO","","","- C7 H6 Cl N O -","- C7 H6 Cl N O -","- C84 H72 Cl12 N12 O12 -","12","3","","Tam, Cheok N.; Cowan, John A.; Schultz, Arthur J.; Young, Jr., Victor G.; Trouw, Frans R.; Sykes, Andrew G.","Neutron and X-ray Diffraction, Inelastic Neutron Scattering, and Solid-State13C NMR Investigations of Polymorphicp-Chlorophenylformamide: Absence of Proton Transfer along the Intermolecular N‒H⋯O Hydrogen Bond","The Journal of Physical Chemistry B","2003","107","31","7601","7606","10.1021/jp034271i","","","0.71073","MoKα","","0.0715","0.0451","","0.1367","0.1184","","","","1.041","1.177","1.177","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507239","9.65","0.0019","12.945","0.003","13.57","0.003","90","","90","","90","","1695.2","0.6","297","1","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2","1,1'-bis(1-methylbenzimidazol-2-yl) -1''-(methoxy)ethane","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C76 H80 N16 O4 -","4","1","","Stibrany, Robert T.; Schulz, Donald N.; Kacker, Smita; Patil, Abhimanyu O.; Baugh, Lisa S.; Rucker, Steven P.; Zushma, Stephen; Berluche, Enock; Sissano, Joseph A.","Polymerization and Copolymerization of Olefins and Acrylates by Bis(benzimidazole) Copper Catalysts","Macromolecules","2003","36","23","8584","","10.1021/ma034548c","","","0.71073","MoKα","","0.0436","0.0341","","","0.089","0.095","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507247","10.111","0.002","10.227","0.002","17.082","0.004","90","","90","","90","","1766.4","0.6","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 F6 N O3 -","- C13 H17 F6 N O3 -","- C52 H68 F24 N4 O12 -","4","1","","Gierasch, Tiffany Malinky; Shi, Zhangjie; Verdine, Gregory L.","Extensively stereodiversified scaffolds for use in diversity-oriented library synthesis.","Organic letters","2003","5","5","621","624","10.1021/ol027116f","","","0.71073","MoKα","","0.0947","0.0749","","","0.2122","0.2263","","","","","","1.172","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507259","7.905","0.0016","11.582","0.002","12.2","0.002","90","","90","","90","","1117","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O S -","- C12 H15 N O S -","- C48 H60 N4 O4 S4 -","4","1","","Williams, Andrew J.; Chakthong, Suda; Gray, Diane; Lawrence, Ron M.; Gallagher, Timothy","1,2-cyclic sulfamidates as versatile precursors to thiomorpholines and piperazines.","Organic letters","2003","5","6","811","814","10.1021/ol027418h","","","0.71073","MoKα","","0.0378","0.0355","","","0.0833","0.0844","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507283","7.141","0.001","8.937","0.001","20.605","0.003","90","","90","","90","","1315","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O6 -","- C13 H17 N O6 -","- C52 H68 N4 O24 -","4","1","","Cardona, Francesca; Goti, Andrea; Brandi, Alberto","Nitrone cycloadditions to isolevoglucosenone: ready access to a new class of directly linked (1‒>3)-imino-C-disaccharides.","Organic letters","2003","5","9","1475","1478","10.1021/ol0342507","","","1.54178","CuKα","","0.0512","0.0508","","","0.1249","0.1259","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507284","5.593","","8.325","","36.586","0.001","90","0.002","90","0.003","90","0.004","1703.51","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O6 -","- C16 H25 N O6 -","- C64 H100 N4 O24 -","4","1","","Cardona, Francesca; Goti, Andrea; Brandi, Alberto","Nitrone cycloadditions to isolevoglucosenone: ready access to a new class of directly linked (1‒>3)-imino-C-disaccharides.","Organic letters","2003","5","9","1475","1478","10.1021/ol0342507","","","1.54178","CuKα","","0.042","0.0408","","","0.1154","0.1176","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507290","17.3667","0.0012","29.873","0.002","8.521","0.0006","90","","90","","90","","4420.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C208 H208 O32 -","8","2","","Ma, Shengming; Yu, Zhanqian","Efficient synthesis of bibutenolide derivatives through oxidative dimeric cyclization-coupling reaction of 2,3-allenoic acids.","Organic letters","2003","5","9","1507","1510","10.1021/ol0342812","","","0.71073","MoKα","","0.0778","0.0433","","","0.0774","0.0853","","","","","","0.851","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507308","10.4026","0.0018","21.482","0.004","25.657","0.005","90","","90","","90","","5733.5","1.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S,S)-1b","","- C33 H28 F6 S2 -","- C33 H28 F6 S2 -","- C264 H224 F48 S16 -","8","2","","Yamamoto, Satoshi; Matsuda, Kenji; Irie, Masahiro","Diastereoselective cyclization in chiral diarylethene crystals: polymorphism and selectivity.","Organic letters","2003","5","10","1769","1772","10.1021/ol034440h","","","0.71073","MoKα","","0.3307","0.0802","","","0.1793","0.2835","","","","","","0.825","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507323","4.7958","0.0005","16.711","0.002","17.195","0.002","90","","90","","90","","1378.1","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Su, Qibin; Beeler, Aaron B.; Lobkovsky, Emil; Porco, Jr, John A; Panek, James S.","Stereochemical diversity through cyclodimerization: synthesis of polyketide-like macrodiolides.","Organic letters","2003","5","12","2149","2152","10.1021/ol034608z","","","0.71073","MoKα","","0.0624","0.0431","","","0.0933","0.1036","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507340","9.712","0.0005","10.309","0.001","19.36","0.0015","90","","90","","90","","1938.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Organic crystal MJ-630 K338 Methyl 2,3-O-(1-methylethylidene)-5,5-di- C-phenyl-α-L-lyxofuranoside (12).","","- C21 H24 O5 -","- C21 H24 O5 -","- C84 H96 O20 -","4","1","","Jeselnik, Marjan; Leban, Ivan; Polanc, Slovenko; Kocevar, Marijan","D-Gulonolactone as a synthon for L-noviose: first preparation of 4-O-demethyl-L-noviofuranose and related derivatives.","Organic letters","2003","5","15","2651","2653","10.1021/ol034796t","","","0.71073","MoKα","","0.0485","0.0371","","","0.1011","0.1259","","","","","","1.119","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507344","9.0609","0.0013","9.6281","0.0014","24.8","0.004","90","","90","","90","","2163.5","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O10 -","- C23 H24 O10 -","- C92 H96 O40 -","4","1","","Marrero, Jeffrey; Rodríguez, Abimael D; Baran, Peter; Raptis, Raphael G.","Isolation and structure of providencin: a highly oxygenated diterpene possessing a unique bicyclo[12.2.0]hexadecane ring system from the sea plume Pseudopterogorgia kallos.","Organic letters","2003","5","14","2551","2554","10.1021/ol034833g","","","0.71073","MoKα","","0.1244","0.0436","","","0.0829","0.1046","","","","","","0.914","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507348","6.6975","0.0003","14.1282","0.0013","15.0059","0.0011","90","","90","","90","","1419.91","0.18","298","","","","","","","","","","Dioscorea membranacea Pierre","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O6 -","- C17 H14 O6 -","- C68 H56 O24 -","4","1","","Itharat, Arunporn; Plubrukarn, Anuchit; Kongsaeree, Palangpon; Bui, Tam; Keawpradub, Niwat; Houghton, Peter J.","Dioscorealides and dioscoreanone, novel cytotoxic naphthofuranoxepins, and 1,4-phenanthraquinone from Dioscorea membranacea Pierre.","Organic letters","2003","5","16","2879","2882","10.1021/ol034926y","","","0.71073","MoKα","","0.0463","0.0395","","","0.0993","0.1063","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507351","6.334","0.002","10.812","0.004","31.745","0.012","90","","90","","90","","2174","1.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O6 S Si -","- C16 H28 N2 O6 S Si -","- C64 H112 N8 O24 S4 Si4 -","4","1","","Hale, Karl J.; Domostoj, Mathias M.; Tocher, Derek A.; Irving, Ed; Scheinmann, Feodor","Enantiospecific formal total synthesis of the tumor and GSK-3 beta inhibiting alkaloid, (-)-agelastatin A.","Organic letters","2003","5","16","2927","2930","10.1021/ol035036l","","","0.71073","MoKα","","0.1326","0.1119","","","0.2249","0.2344","","","","","","1.117","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507353","9.661","0.006","10.475","0.007","12.72","0.008","90","","90","","90","","1287.3","1.4","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O -","- C15 H18 N O -","- C60 H72 N4 O4 -","4","1","","Chao, Wenchun; Waldman, Jacob H.; Weinreb, Steven M.","Studies of intramolecular cyclizations of N-acyliminium ions derived from acyclic ketones: unanticipated stereochemical and structural results.","Organic letters","2003","5","16","2915","2918","10.1021/ol035046m","","","0.71073","MoKα","","0.0774","0.0679","","","0.1714","0.1789","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507364","9.2287","0.0003","9.9625","0.0003","23.3118","0.0006","90","","90","","90","","2143.31","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 Si -","- C21 H27 N O3 Si -","- C84 H108 N4 O12 Si4 -","4","1","","Shin, Dong-Yun; Jung, Jae-Kyung; Seo, Seung-Yong; Lee, Yong-Sil; Paek, Seung-Mann; Chung, Young Keun; Shin, Dong Mok; Suh, Young-Ger","Stereoselective formation of N-acyliminium ion via chiral N,O-acetal TMS ether and its application to the synthesis of beta-amino acids.","Organic letters","2003","5","20","3635","3638","10.1021/ol035289e","","","0.71073","MoKα","","0.0855","0.0522","","","0.1128","0.1294","","","","","","1.102","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507375","6.436","0.003","10.506","0.004","12.647","0.005","90","","90","","90","","855.1","0.6","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C32 H44 N4 O12 -","4","1","","Parker, Kathlyn A.; Chang, Wonsuk","A synthesis of L-vancosamine derivatives from non-carbohydrate precursors by a short sequence based on the Marshall, McDonald, and Du Bois reactions.","Organic letters","2003","5","21","3891","3893","10.1021/ol035479p","","","0.71073","MoKα","","0.3521","0.0892","","","0.1443","0.2084","","","","","","0.655","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507382","7.8245","0.0007","10.4867","0.0009","17.601","0.001","90","","90","","90","","1444.2","0.2","93.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","","Hirasawa, Yusuke; Morita, Hiroshi; Shiro, Motoo; Kobayashi, Jun'ichi","Sieboldine A, a novel tetracyclic alkaloid from Lycopodium sieboldii, inhibiting acetylcholinesterase.","Organic letters","2003","5","21","3991","3993","10.1021/ol035560s","","","0.7107","MoKα","","","0.0316","","","","0.0776","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507383","13.329","0.001","15.113","0.001","7.459","0.002","90","","90","","90","","1502.5","0.4","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O4 -","- C16 H27 N O4 -","- C64 H108 N4 O16 -","4","1","","Hirasawa, Yusuke; Morita, Hiroshi; Shiro, Motoo; Kobayashi, Jun'ichi","Sieboldine A, a novel tetracyclic alkaloid from Lycopodium sieboldii, inhibiting acetylcholinesterase.","Organic letters","2003","5","21","3991","3993","10.1021/ol035560s","","","0.7107","MoKα","","","0.0322","","","","0.0902","","","","","","1.313","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507385","7.206","0.002","7.726","0.002","16.364","0.005","90","","90","","90","","911","0.4","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Jang, Doo Ok; Kim, Dwight D.; Pyun, Do Kyu; Beak, Peter","Synthesis of highly enantioenriched all-carbon quaternary centers: conjugate additions of chiral organolithium nucleophiles to alpha,alpha-dinitrile beta,beta-disubstituted olefins.","Organic letters","2003","5","22","4155","4157","10.1021/ol035601k","","","0.71073","MoKα","","0.0364","0.032","","","0.0808","0.083","","","","","","1.088","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507402","8.26","0.001","16.714","0.003","26.608","0.006","90","","90","","90","","3673.4","1.1","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 N3 O7 -","- C41 H45 N3 O7 -","- C164 H180 N12 O28 -","4","1","","Sello, Jason K.; Andreana, Peter R.; Lee, Daesung; Schreiber, Stuart L.","Stereochemical control of skeletal diversity.","Organic letters","2003","5","22","4125","4127","10.1021/ol035773h","","","0.71073","MoKα","","0.1155","0.0534","","","0.1121","0.1364","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507403","9.4799","0.0005","17.1466","0.0009","23.3272","0.0013","90","","90","","90","","3791.8","0.4","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 N3 O8 -","- C41 H43 N3 O8 -","- C164 H172 N12 O32 -","4","1","","Sello, Jason K.; Andreana, Peter R.; Lee, Daesung; Schreiber, Stuart L.","Stereochemical control of skeletal diversity.","Organic letters","2003","5","22","4125","4127","10.1021/ol035773h","","","0.71073","MoKα","","0.0897","0.0718","","","0.1741","0.1864","","","","","","1.082","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507404","13.6681","0.0018","14.992","0.002","17.274","0.002","90","","90","","90","","3539.7","0.8","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 N3 O7 -","- C40 H41 N3 O7 -","- C160 H164 N12 O28 -","4","1","","Sello, Jason K.; Andreana, Peter R.; Lee, Daesung; Schreiber, Stuart L.","Stereochemical control of skeletal diversity.","Organic letters","2003","5","22","4125","4127","10.1021/ol035773h","","","0.71073","MoKα","","0.092","0.063","","","0.1433","0.1567","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507415","9.378","0.0011","10.968","0.0012","13.966","0.001","90","","90","","90","","1436.5","0.3","293","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","White, James D.; Wang, Guoqiang; Quaranta, Laura","Studies on the synthesis of gymnodimine. construction of the spiroimine portion via Diels-Alder cycloaddition.","Organic letters","2003","5","26","4983","4986","10.1021/ol035939e","","","1.54184","CuKα","","0.037","0.034","","","0.091","0.0933","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507449","7.9615","0.0002","9.9599","0.0002","38.3334","0.001","90","","90","","90","","3039.68","0.13","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","2","","Siu, Tung; Yudin, Andrei K.","Electrochemical Imination of Sulfoxides Using N-Aminophthalimide","Organic Letters","2002","4","11","1839","","10.1021/ol0257530","","","0.71073","MoKα","","0.0614","0.0418","","","0.0862","0.0936","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507451","5.9581","0.0011","13.713","0.003","15.466","0.003","90","","90","","90","","1263.6","0.4","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7R,8aR)-7-phenyl-8a-(trifluoromethyl)hexahydroindolizin-5(1H)-one","","- C12 H18 F3 N O -","- C12 H18 F3 N O -","- C48 H72 F12 N4 O4 -","4","1","","Okano, Takashi; Fumoto, Masataka; Kusukawa, Takahiro; Fujita, Makoto","Synthesis of Optically Active Trifluoromethylated Indolizidine Derivatives via Stereoselective Radical Cyclization","Organic Letters","2002","4","9","1571","","10.1021/ol025792b","","","0.71073","MoKα","","0.1136","0.0421","","","0.1005","0.1332","","","","","","0.597","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507455","9.322","0.002","9.454","0.002","27.584","0.004","90","","90","","90","","2431","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O7 -","- C22 H38 O7 -","- C88 H152 O28 -","4","1","","Salomon, Christine E.; Williams, David H.; Lobkovsky, Emil; Clardy, Jon C.; Faulkner, D. John","Relative and Absolute Stereochemistry of the Didemnaketals, Metabolites of a Palauan Ascidian,Didemnumsp.","Organic Letters","2002","4","10","1699","","10.1021/ol025904z","","","1.54178","CuKα","","0.0742","0.054","","0.1493","0.1332","","","","1.042","1.082","1.082","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507460","11.468","0.005","12.686","0.004","20.298","0.004","90","","90","","90","","2953","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 Br N3 O6 -","- C27 H39 Br N3 O6 -","- C108 H156 Br4 N12 O24 -","4","1","","Gralla, Gabriele; Wibbeling, Birgit; Hoppe, Dieter","Synthesis of an Ethynyl Carbamate and Application for Enantioselective Cyclocarbolithiation","Organic Letters","2002","4","13","2193","","10.1021/ol0260674","","","1.54178","CuKα","","0.234","0.0676","","","0.1269","0.1818","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507461","12.36","0.004","13.93","0.01","10.496","0.008","90","","90","","90","","1807","2","298","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl3 N O2 -","- C19 H18 Cl3 N O2 -","- C76 H72 Cl12 N4 O8 -","4","1","","Mita, Tsuyoshi; Ohtsuki, Natsuki; Ikeno, Taketo; Yamada, Tohru","Enantioselective 1,3-Dipolar Cycloaddition of Nitrones Catalyzed by Optically Active Cationic Cobalt(III) Complexes","Organic Letters","2002","4","15","2457","","10.1021/ol026079p","","","0.71073","MoKα","","","0.032","","","","0.085","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507467","7.1993","0.0003","10.0365","0.0004","31.1705","0.0013","90","","90","","90","","2252.25","0.16","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 O2 -","- C26 H40 O2 -","- C104 H160 O8 -","4","1","","Loh, Teck-Peng; Hu, Qi-Ying; Ma, Li-Ting","Stereocontrolled Synthesis of Linear 22R-Homoallylic Sterols via a Triflic Acid-Catalyzed 2-Oxonia Cope Rearrangement","Organic Letters","2002","4","14","2389","","10.1021/ol026136e","","","0.71073","MoKα","","0.0421","0.0346","","","0.0746","0.0782","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507475","8.9674","0.0001","20.8342","0.0002","23.2481","0.0003","90","","90","","90","","4343.41","0.09","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C58 H42 N2 O4 -","- C58 H42 N2 O4 -","- C232 H168 N8 O16 -","4","1","","Shimada, Toyoshi; Kina, Asato; Ikeda, Syushiro; Hayashi, Tamio","A Novel Axially Chiral 2,2‘-BipyridineN,N‘-Dioxide. Its Preparation and Use for Asymmetric Allylation of Aldehydes with Allyl(trichloro)silane as a Highly Efficient Catalyst","Organic Letters","2002","4","16","2799","","10.1021/ol026376u","","","0.7107","MoKα","","","0.072","","","","0.044","","","","","","1.129","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507480","6.7036","0.0004","15.5557","0.0007","22.4024","0.0013","90","","90","","90","","2336.1","0.2","298","2","298","2","","","","","","","slow evaporation of DMF solution of 2; see text","4","P 21 21 21","P 2ac 2ab","19","UCS1025B N,N-dimrthylformamide solvate","(2aR,7R,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7,7b-dihydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione N,N-dimethylformamide solvate","","- C23 H32 N2 O7 -","- C23 H32 N2 O7 -","- C92 H128 N8 O28 -","4","1","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.0629","0.0493","","0.1305","0.1191","","","","1.039","1.065","1.065","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507481","6.7479","0.0003","13.9428","0.0007","22.927","0.0009","90","","90","","90","","2157.08","0.17","294","2","294","2","","","","","","","slow evaporation of acetonitrile solution of 2; see text","4","P 21 21 21","P 2ac 2ab","19","UCS1025B acetonitrile solvate","(2aR,7R,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7,7b-dihydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione acetonitrile solvate","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","1","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.0526","0.0498","","0.1448","0.1411","","","","1.075","1.089","1.089","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507483","6.723","0.0003","9.4873","0.0002","31.0788","0.0012","90","","90","","90","","1982.3","0.12","295","2","295","2","","","","","","","slow evaporation of DMSO solution of 5; see text","5","P 21 21 21","P 2ac 2ab","19","","(2aR,7S,7aS,7bR)-7-bromo-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione","","- C20 H24 Br N O5 -","- C20 H24 Br N O5 -","- C80 H96 Br4 N4 O20 -","4","1","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.0865","0.0561","","0.1467","0.1262","","","","1.042","1.076","1.076","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507496","10.5029","0.0008","19.6289","0.0015","20.4634","0.0015","90","","90","","90","","4218.7","0.6","123","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","tetrakis(bicyclo[2.2.2]octeno)fluorene radical cation","","","- C39 H46 Cl10 Sb -","- C39 H46 Cl10 Sb -","- C156 H184 Cl40 Sb4 -","4","1","","Nishinaga, Tohru; Inoue, Ryota; Matsuura, Akira; Komatsu, Koichi","Radical Cation and Dication of Fluorene Fully Annelated with Bicyclo[2.2.2]octene Units: Importance of the Quinoidal Resonance Structure in the Cationic Fluorene","Organic Letters","2002","4","23","4117","","10.1021/ol026841n","","","0.71073","MoKα","","0.0444","0.0392","","","0.0942","0.096","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507509","23.455","0.003","8.073","0.003","5.524","0.002","90","","90","","90","","1046","0.6","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","diphenyldisulphide","diphenyldisulphide","","- C12 H10 S2 -","- C12 H10 S2 -","- C48 H40 S8 -","4","1","","Shimizu, Toshio; Isono, Hiromi; Yasui, Masanori; Iwasaki, Fujiko; Kamigata, Nobumasa","Solid State Optical Activity of Dichalcogenides: Isolation by Chiral Crystallization and Determination of Absolute Configuration","Organic Letters","2001","3","23","3639","","10.1021/ol010172g","","","0.71073","MoKα","","0.0193","0.019","","","0.0551","0.0554","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507522","6.4313","0.0001","11.6244","0.0001","22.4048","0.0003","90","","90","","90","","1674.98","0.04","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O5 S -","- C16 H26 O5 S -","- C64 H104 O20 S4 -","4","1","","Yu, Ming; Lynch, Vincent; Pagenkopf, Brian L.","Intramolecular Cyclopropanation of Glycals: Studies toward the Synthesis of Canadensolide, Sporothriolide, and Xylobovide","Organic Letters","2001","3","16","2563","","10.1021/ol016239h","","","0.71073","MoKα","","0.0566","0.0524","","","0.1425","0.1443","","","","","","1.135","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507525","6.563","0.0004","10.748","0.0006","22.495","0.0012","90","","90","","90","","1586.78","0.16","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N3 O5 -","- C14 H21 N3 O5 -","- C56 H84 N12 O20 -","4","1","","Hughes, Freddie; Grossman, Robert B.","A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines","Organic Letters","2001","3","18","2911","","10.1021/ol016395o","","","0.71073","MoKα","","0.054","0.0435","","","0.0865","0.0897","","","","","","1.092","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507537","4.752","0.0004","13.15","0.0004","15.353","0.0011","90","","90","","90","","959.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H6 O S3 -","- C10 H6 O S3 -","- C40 H24 O4 S12 -","4","1","","Grainger, Richard S.; Procopio, Alberto; Steed, Jonathan W.","A Novel Recyclable Sulfur Monoxide Transfer Reagent","Organic Letters","2001","3","22","3565","","10.1021/ol016678g","","","0.71073","MoKα","","0.0512","0.0402","","","0.089","0.0935","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507551","7.5911","0.0007","13.9115","0.0011","14.3428","0.001","90","","90","","90","","1514.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DIVER-7B","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C76 H80 N8 O4 -","4","1","","Ellis, Keisha K.; Wilke, Burkhardt; Zhang, Yuegang; Diver, Steven T.","A New Method for the Synthesis of Imidazolidinone- and Benzimidazolone-Containing [2.2]Cyclophanes","Organic Letters","2000","2","24","3785","","10.1021/ol0064866","","","0.71073","MoKα","","0.0471","0.0358","","","0.0705","0.0748","","","","","","0.954","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507575","5.7228","0.0004","9.7296","0.0005","19.324","0.0014","90","","90","","90","","1075.97","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O -","- C13 H16 O -","- C52 H64 O4 -","4","1","","Kolb, Andreas; Hirner, Sebastian; Harms, Klaus; Zezschwitz, Paultheo von","Kinetic Resolution of Chiral Cyclohex-2-enones by Rhodium(I)/binap-Catalyzed 1,2- and 1,4-Additions.","Organic letters","2012","14","8","1978","1981","10.1021/ol300387f","","","0.71073","MoKα","","0.0364","0.029","","","0.0674","0.0688","","","","","","0.949","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507581","5.8929","0.0007","11.5325","0.0014","29.228","0.004","90","","90","","90","","1986.3","0.4","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl N O2 S -","- C22 H22 Cl N O2 S -","- C88 H88 Cl4 N4 O8 S4 -","4","1","","Yeh, Ming-Chang P; Fang, Cheng-Wei; Lin, Hsin-Hui","Facile Synthesis of Azaspirocycles via Iron Trichloride-Promoted Cyclization/Chlorination of Cyclic 8-Aryl-5-aza-5-tosyl-2-en-7-yn-1-ols.","Organic letters","2012","14","7","1830","1833","10.1021/ol300434m","","","0.71073","MoKα","","0.0581","0.0428","","","0.0971","0.1093","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507591","11.5888","0.0001","20.8645","0.0002","29.5473","0.0003","90","","90","","90","","7144.38","0.12","100","2","100","1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H46 Cl2 N6 Rh2 -","- C37 H46 Cl2 N6 Rh2 -","- C296 H368 Cl16 N48 Rh16 -","8","2","","Aizpurua, Jesus M.; Sagartzazu-Aizpurua, Maialen; Monasterio, Zaira; Azcune, Itxaso; Mendicute, Claudio; Miranda, Jose I.; García-Lecina, Eva; Altube, Ainhoa; Fratila, Raluca M.","Introducing Axial Chirality into Mesoionic 4,4'-Bis(1,2,3-triazole) Dicarbenes.","Organic letters","2012","14","7","1866","1868","10.1021/ol3004657","","x-ray","1.54184","CuKα","","0.0425","0.0379","","","0.0797","0.0828","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507592","12.2404","0.0001","16.9563","0.0001","17.6791","0.0001","90","","90","","90","","3669.33","0.04","100","1","100","1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 Cl2 N6 Rh2 -","- C38 H48 Cl2 N6 Rh2 -","- C152 H192 Cl8 N24 Rh8 -","4","1","","Aizpurua, Jesus M.; Sagartzazu-Aizpurua, Maialen; Monasterio, Zaira; Azcune, Itxaso; Mendicute, Claudio; Miranda, Jose I.; García-Lecina, Eva; Altube, Ainhoa; Fratila, Raluca M.","Introducing Axial Chirality into Mesoionic 4,4'-Bis(1,2,3-triazole) Dicarbenes.","Organic letters","2012","14","7","1866","1868","10.1021/ol3004657","","x-ray","1.54184","CuKα","","0.0168","0.0167","","","0.0421","0.0422","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507593","8.6356","0.0006","14.1494","0.001","17.9588","0.0013","90","","90","","90","","2194.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O3 S2 -","- C22 H25 N O3 S2 -","- C88 H100 N4 O12 S8 -","4","1","","Yu, Feng; Hu, Haoxiang; Gu, Xiaodong; Ye, Jinxing","Asymmetric Michael Addition of Substituted Rhodanines to α,β-Unsaturated Ketones Catalyzed by Bulky Primary Amines.","Organic letters","2012","14","8","2038","2041","10.1021/ol300489q","","","0.71073","MoKα","","0.046","0.0388","","","0.0985","0.1036","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507595","8.9067","0.0008","12.3031","0.0011","16.8821","0.0016","90","","90","","90","","1849.9","0.3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 S2 -","- C20 H19 N O2 S2 -","- C80 H76 N4 O8 S8 -","4","1","","Yu, Feng; Hu, Haoxiang; Gu, Xiaodong; Ye, Jinxing","Asymmetric Michael Addition of Substituted Rhodanines to α,β-Unsaturated Ketones Catalyzed by Bulky Primary Amines.","Organic letters","2012","14","8","2038","2041","10.1021/ol300489q","","","0.71073","MoKα","","0.0252","0.0234","","","0.0635","0.0651","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507597","8.0505","0.0009","10.4346","0.0011","15.117","0.0016","90","","90","","90","","1269.9","0.2","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-5-bromo-3-hydroxy-1-methyl-3-(2-methylallyl)indolin-2-one","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C52 H56 Br4 N4 O8 -","4","1","","Hanhan, Nadine V.; Tang, Yng C.; Tran, Ngon T.; Franz, Annaliese K.","Scandium(III)-Catalyzed Enantioselective Allylation of Isatins Using Allylsilanes.","Organic letters","2012","14","9","2218","2221","10.1021/ol300496v","","","0.71073","MoKα","","0.0242","0.0211","","","0.0476","0.0486","","","","","","1.009","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507615","7.3341","0.0003","10.3949","0.0004","14.8921","0.0008","90","","90","","90","","1135.33","0.09","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Kobayakawa, Yu; Mori, Yusuke; Okajima, Hideki; Terada, Yasuhiko; Nakada, Masahisa","Asymmetric and Highly Stereoselective Synthesis of the DEF-Ring Moiety of (-)-FR182877 and Its Derivative Inducing Mitotic Arrest.","Organic letters","2012","14","8","2086","2089","10.1021/ol300615w","","","0.71075","MoKα","","","0.0359","","","","0.103","","","","","","0.871","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507616","7.1902","0.0003","11.3975","0.0004","18.3499","0.0006","90","","90","","90","","1503.78","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Lian, Yajing; Davies, Huw M. L.","Rh(2)(S-biTISP)(2)-Catalyzed Asymmetric Functionalization of Indoles and Pyrroles with Vinylcarbenoids.","Organic letters","2012","14","7","1934","1937","10.1021/ol300632p","","","1.54178","CuKα","","0.0377","0.0353","","","0.1136","0.1172","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507618","7.158","0.006","13.583","0.012","21.526","0.019","90","","90","","90","","2093","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Br N3 O2 -","- C23 H18 Br N3 O2 -","- C92 H72 Br4 N12 O8 -","4","1","","Gu, Peiming; Su, Yan; Wu, Xiu-Ping; Sun, Jian; Liu, Wanyi; Xue, Ping; Li, Rui","Enantioselective Preparation of cis-β-Azidocyclopropane Esters by Cyclopropanation of Azido Alkenes Using a Chiral Dirhodium Catalyst.","Organic letters","2012","14","9","2246","2249","10.1021/ol3006437","","","0.71073","MoKα","","0.0774","0.0374","","","0.0685","0.0799","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507630","10.7151","0.001","12.2558","0.0012","13.2521","0.0013","90","","90","","90","","1740.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N2 O3 -","- C23 H18 N2 O3 -","- C92 H72 N8 O12 -","4","1","","Lima, Heather M.; Sivappa, Rasapalli; Yousufuddin, Muhammed; Lovely, Carl J.","Total synthesis of 7'-desmethylkealiiquinone.","Organic letters","2012","14","9","2274","2277","10.1021/ol300704w","","","0.71073","MoKα","","0.0566","0.0473","","","0.1089","0.1239","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507634","8.0559","0.0003","14.2981","0.0005","21.0979","0.0007","90","","90","","90","","2430.14","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O3 P -","- C29 H27 O3 P -","- C116 H108 O12 P4 -","4","1","","Wang, Shouliang; Li, Jinjin; Miao, Tingting; Wu, Wenhao; Li, Qing; Zhuang, Yue; Zhou, Zhongyuan; Qiu, Liqin","Highly Efficient Synthesis of a Class of Novel Chiral-Bridged Atropisomeric Monophosphine Ligands via Simple Desymmetrization and Their Applications in Asymmetric Suzuki-Miyaura Coupling Reaction.","Organic letters","2012","14","8","1966","1969","10.1021/ol300721p","","","0.71073","MoKα","","0.0859","0.0499","","","0.0992","0.1139","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507638","7.7671","0.0009","13.4242","0.0016","19.659","0.002","90","","90","","90","","2049.8","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Br N O4 -","- C24 H20 Br N O4 -","- C96 H80 Br4 N4 O16 -","4","1","","Suzuki, Yuta; Nemoto, Tetsuhiro; Kakugawa, Kazumi; Hamajima, Akinari; Hamada, Yasumasa","Asymmetric synthesis of chiral 9,10-dihydrophenanthrenes using pd-catalyzed asymmetric intramolecular friedel-crafts allylic alkylation of phenols.","Organic letters","2012","14","9","2350","2353","10.1021/ol300770w","","","0.71073","MoKα","","0.0538","0.033","","","0.0739","0.0984","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507645","8.5429","0.0003","11.8569","0.0003","18.4536","0.0005","90","","90","","90","","1869.21","0.1","93.1","","93","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C88 H88 O20 -","4","1","","Shintani, Ryo; Ito, Tomoaki; Hayashi, Tamio","Palladium-Catalyzed Synthesis of 4-Oxaspiro[2.4]heptanes via Central Attack of Oxygen Nucleophiles to π-Allylpalladium Intermediates.","Organic letters","2012","14","9","2410","2413","10.1021/ol300852v","","","1.54187","CuKα","","","0.0352","","","","0.0845","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507661","14.5059","0.0002","14.8002","0.0002","22.4594","0.0003","90","","90","","90","","4821.81","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Perhentinine dimethyl diiodide salt","","","- C45 H58 I2 N4 O5 -","- C45 H66 I1.851 N4 O9 -","- C180 H264 I7.404 N16 O36 -","4","1","","Lim, Siew-Huah; Low, Yun-Yee; Tan, Shin-Jowl; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Perhentidines a-C: macroline-macroline bisindoles from alstonia and the absolute configuration of perhentinine and macralstonine.","Journal of natural products","2012","75","5","942","950","10.1021/np300120p","","","0.71073","MoKα","","0.0695","0.0634","","","0.1921","0.1989","","","","","","1.591","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507663","8.9034","0.0002","10.554","0.0002","23.8579","0.0005","90","","90","","90","","2241.84","0.08","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-ethyl 5-(4-bromophenyl)-4-((2-(t-butyl)phenyl)(hydroxy)amino) -5-oxopentanoate","","","- C23 H28 Br N O4 -","- C23 H28 Br N O4 -","- C92 H112 Br4 N4 O16 -","4","1","","Yanagisawa, Akira; Fujinami, Takeo; Oyokawa, Yu; Sugita, Takuya; Yoshida, Kazuhiro","Catalytic enantioselective N-nitroso aldol reaction of γ,δ-unsaturated δ-lactones.","Organic letters","2012","14","10","2434","2437","10.1021/ol300146k","","","1.54178","CuKα","","0.0575","0.0564","","","0.1395","0.1411","","","","","","1.087","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507670","7.0219","0.0001","13.942","0.0002","19.6816","0.0003","90","","90","","90","","1926.82","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","","Margrey, Kaila A.; Chinn, Alex J.; Laws, Stephen W.; Pike, Robert D.; Scheerer, Jonathan R.","Efficient entry to the [2.2.2]-diazabicyclic ring system via diastereoselective domino reaction sequence.","Organic letters","2012","14","10","2458","2461","10.1021/ol3007056","","","1.54178","CuKα","","0.0239","0.0238","","","0.0643","0.0644","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507679","9.3506","0.0003","10.3827","0.0004","23.164","0.0008","90","","90","","90","","2248.86","0.14","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 6-(5-bromo-1H-indol-3-yl)-5-formyl-4-(3-methoxyphenyl)-3-nitrohex-(2E)-enoate","","- C24 H23 Br N2 O6 -","- C24 H23 Br N2 O6 -","- C96 H92 Br4 N8 O24 -","4","1","","Roy, Suparna; Chen, Kwunmin","Three-component organocascade kinetic resolution of racemic nitroallylic acetates via sequential iminium/enamine asymmetric catalysis.","Organic letters","2012","14","10","2496","2499","10.1021/ol300783e","","","0.71073","MoKα","","0.0615","0.0381","","","0.0804","0.0932","","","","","","0.71","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507683","8.60756","0.00004","13.28654","0.00006","16.01937","0.00007","90","","90","","90","","1832.05","0.014","121","2","121","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Low, Darryl W.; Pattison, Graham; Wieczysty, Martin D.; Churchill, Gwydion H.; Lam, Hon Wai","Enantioselective Rh(I)-catalyzed cyclization of arylboron compounds onto ketones.","Organic letters","2012","14","10","2548","2551","10.1021/ol300845q","","","1.54184","CuKα","","0.0246","0.0245","","","0.0674","0.0674","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507698","11.4323","0.0006","14.1887","0.0008","16.0973","0.0009","90","","90","","90","","2611.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CE-OHPHENYLIMINE","","","- C30 H32 N2 O6 -","- C30 H32 N2 O6 -","- C120 H128 N8 O24 -","4","1","","Basa, Prem N.; Bhowmick, Arundhati; Horn, Lashawn Medicine; Sykes, Andrew G.","Zinc(II) Mediated Imine-Enamine Tautomerization.","Organic letters","2012","14","11","2698","2701","10.1021/ol300874c","","","0.71073","MoKα","","0.0527","0.0424","","","0.1069","0.1132","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507700","9.0786","0.0004","16.4153","0.0006","23.8705","0.0009","90","","90","","90","","3557.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 N4 O7 -","- C34 H52 N4 O7 -","- C136 H208 N16 O28 -","4","1","","Guo, Li; Zhang, Weicheng; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","New preorganized γ-amino acids as foldamer building blocks.","Organic letters","2012","14","10","2582","2585","10.1021/ol3008815","","","0.71073","MoKα","","0.0361","0.033","","","0.0893","0.0925","","","","","","0.837","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507717","8.3264","0.0004","9.6521","0.0005","15.9753","0.0009","90","","90","","90","","1283.89","0.12","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Wang, Guowei; Wang, Baomin; Qi, Shuai; Zhao, Jinfeng; Zhou, Yuhan; Qu, Jingping","Highly Enantio- and Diastereoselective Vinylogous Aldol Reaction by LiCl-Assisted BINOL-Titanium Species.","Organic letters","2012","14","11","2734","2737","10.1021/ol300946j","","","0.71073","MoKα","","0.0382","0.0293","","","0.0658","0.0684","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507718","7.384","0.0003","11.9448","0.0005","19.0988","0.0006","90","","90","","90","","1684.52","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 B Br N O3 -","- C17 H19 B Br N O3 -","- C68 H76 B4 Br4 N4 O12 -","4","1","","Niu, Liting; Yang, Haijun; Wang, Ruji; Fu, Hua","Metal-free ortho C-H borylation of 2-phenoxypyridines under mild conditions.","Organic letters","2012","14","10","2618","2621","10.1021/ol300950r","","","0.71073","MoKα","","0.0287","0.0251","","","0.0508","0.0519","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507721","8.3871","0.0008","12.0103","0.0012","25.88","0.003","90","","90","","90","","2606.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O -","- C17 H15 N O -","- C136 H120 N8 O8 -","8","2","","Richmond, Edward; Duguet, Nicolas; Slawin, Alexandra M. Z.; Lébl, Tomáš; Smith, Andrew D.","Asymmetric pericyclic cascade approach to spirocyclic oxindoles.","Organic letters","2012","14","11","2762","2765","10.1021/ol300982f","","","1.54178","CuKα","","0.0477","0.0414","","","0.1013","0.1081","","","","","","1.238","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507725","10.5245","0.0018","16.382","0.003","22.095","0.004","90","","90","","90","","3809.5","1.2","100","2","100","2","","","101.325","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","Alpa-gamma helix","Penta Peptide","","- C36 H52 Cl2 N5 O6 -","- C36 H52 Cl2 N5 O6 -","- C144 H208 Cl8 N20 O24 -","4","1","","Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Hybrid Peptides: Direct Transformation of α/α, β-Unsaturated γ-Hybrid Peptides to α/γ-Hybrid Peptide 12-Helices.","Organic letters","2012","14","11","2770","2773","10.1021/ol300987d","","x-ray","0.71073","MoKα","","0.092","0.0511","","","0.118","0.1428","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507741","5.7593","0.0002","8.8488","0.0003","36.9618","0.0011","90","","90","","90","","1883.68","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","11-Gorgiacerol","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Weinstabl, Harald; Gaich, Tanja; Mulzer, Johann","Application of the rodriguez-pattenden photo-ring contraction: total synthesis and configurational reassignment of 11-gorgiacerol and 11-epigorgiacerol.","Organic letters","2012","14","11","2834","2837","10.1021/ol301068h","","","0.71073","MoKα","","0.0963","0.0603","","","0.1257","0.1369","","","","","","0.979","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507749","10.8231","0.0002","11.2308","0.0002","19.5924","0.0004","90","","90","","90","","2381.5","0.08","93.1","","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O5 Si -","- C23 H34 O5 Si -","- C92 H136 O20 Si4 -","4","1","","Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio","Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.","Organic letters","2012","14","11","2902","2905","10.1021/ol301191u","","","1.54187","CuKα","","","0.0417","","","","0.1045","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507750","6.33447","0.00014","8.09469","0.00016","34.4211","0.0007","90","","90","","90","","1764.96","0.06","93.1","","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O5 Si -","- C17 H24 O5 Si -","- C68 H96 O20 Si4 -","4","1","","Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio","Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.","Organic letters","2012","14","11","2902","2905","10.1021/ol301191u","","","1.54187","CuKα","","","0.0428","","","","0.1086","","","","","","1.113","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507751","6.70836","0.00013","11.9909","0.0002","17.7089","0.0003","90","","90","","90","","1424.49","0.04","93.1","","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 Si -","- C15 H20 O3 Si -","- C60 H80 O12 Si4 -","4","1","","Shintani, Ryo; Moriya, Kohei; Hayashi, Tamio","Palladium-Catalyzed Desymmetrization of Silacyclobutanes with Alkynes: Enantioselective Synthesis of Silicon-Stereogenic 1-Sila-2-cyclohexenes and Mechanistic Considerations.","Organic letters","2012","14","11","2902","2905","10.1021/ol301191u","","","1.54187","CuKα","","","0.0349","","","","0.0918","","","","","","1.082","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507805","4.632","0.003","11.982","0.007","29.48","0.02","90","","90","","90","","1636.2","1.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Cimmino, Alessio; Andolfi, Anna; Zonno, Maria C.; Troise, Ciro; Santini, Antonello; Tuzi, Angela; Vurro, Maurizio; Ash, Gavin; Evidente, Antonio","Phomentrioloxin: A Phytotoxic Pentasubstituted Geranylcyclohexentriol Produced by Phomopsis sp., a Potential Mycoherbicide for Carthamus lanatus Biocontrol.","Journal of natural products","2012","75","6","1130","1137","10.1021/np300200j","","","0.71073","MoKα","","0.0897","0.0546","","","0.1037","0.1161","","","","","","1.095","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507808","7.031","0.005","7.138","0.008","17.97","0.012","90","","90","","90","","901.9","1.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N2 O3 -","- C10 H8 N2 O3 -","- C40 H32 N8 O12 -","4","1","","Chen, Minghua; Gan, Lishe; Lin, Sheng; Wang, Xiaoliang; Li, Li; Li, Yuhuan; Zhu, Chenggen; Wang, Yanan; Jiang, Bingya; Jiang, Jiandong; Yang, Yongchun; Shi, Jiangong","Alkaloids from the Root of Isatis indigotica.","Journal of natural products","2012","75","6","1167","1176","10.1021/np3002833","","","1.54178","CuKα","","0.0364","0.0346","","","0.0935","0.0991","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507819","11.148","0.0001","18.6856","0.0002","26.1462","0.0003","90","","90","","90","","5446.44","0.1","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H24.5 Cl1.5 N2 O2 -","- C34.5 H24.5 Cl1.5 N2 O2 -","- C276 H196 Cl12 N16 O16 -","8","2","","Takaishi, Kazuto; Kawamoto, Masuki; Muranaka, Atsuya; Uchiyama, Masanobu","Fusion of photochromic reaction and synthetic reaction: photoassisted cyclization to highly strained chiral azobenzenophanes.","Organic letters","2012","14","13","3252","3255","10.1021/ol300992d","","","0.71073","MoKα","","0.1006","0.0713","","","0.1631","0.1797","","","","","","1.059","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507850","9.706","0.003","10.487","0.004","21.638","0.007","90","","90","","90","","2202.5","1.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O4 -","- C26 H32 O4 -","- C104 H128 O16 -","4","1","","Parnes, Regev; Kshirsagar, Umesh A.; Werbeloff, Aviya; Regev, Clil; Pappo, Doron","Ligand-controlled iron-catalyzed coupling of α-substituted β-ketoesters with phenols.","Organic letters","2012","14","13","3324","3327","10.1021/ol301297k","","","0.71073","MoKα","","0.1052","0.0626","","","0.1297","0.1508","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507867","10.1186","0.0003","12.1557","0.0003","16.747","0.0004","90","","90","","90","","2059.86","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O6 -","- C23 H30 N2 O6 -","- C92 H120 N8 O24 -","4","1","","Li, Li-Mei; Yang, Tai; Liu, Yang; Liu, Jin; Li, Min-Hui; Wang, Yan-Tang; Yang, Shu-Xia; Zou, Qiang; Li, Guo-You","Calophyline A, a new rearranged monoterpenoid indole alkaloid from Winchia calophylla.","Organic letters","2012","14","13","3450","3453","10.1021/ol301400e","","","0.7107","MoKα","","0.0479","0.0421","","","0.1003","0.1059","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507952","7.1086","0.0002","12.1687","0.0005","12.6313","0.0005","90","","90","","90","","1092.64","0.07","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 Br2 N4 O -","- C7 H12 Br2 N4 O -","- C28 H48 Br8 N16 O4 -","4","1","","Cakmak, Mesut; Mayer, Peter; Trauner, Dirk","An efficient synthesis of loline alkaloids.","Nature chemistry","2011","3","7","543","545","10.1038/nchem.1072","","","0.71073","MoKα","","0.0277","0.0221","","","0.0329","0.0333","","","","","","0.887","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507953","6.333","0.0001","10.3246","0.0002","26.9497","0.0004","90","","90","","90","","1762.12","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N4 O5 S -","- C16 H20 N4 O5 S -","- C64 H80 N16 O20 S4 -","4","1","","Cakmak, Mesut; Mayer, Peter; Trauner, Dirk","An efficient synthesis of loline alkaloids.","Nature chemistry","2011","3","7","543","545","10.1038/nchem.1072","","","0.71073","MoKα","","0.0332","0.029","","","0.0673","0.0698","","","","","","1.089","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507955","10.1997","0.0004","12.253","0.0005","24.807","0.001","90","","90","","90","","3100.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 I2 O8 Si -","- C27 H42 I2 O8 Si -","- C108 H168 I8 O32 Si4 -","4","1","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","0.71073","MoKα","","0.0314","0.0293","","","0.0678","0.0685","","","","","","1.156","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507958","10.5239","0.0011","14.5191","0.0015","22.649","0.002","90","","90","","90","","3460.7","0.6","171","","171","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 Br O8 Si -","- C33 H47 Br O8 Si -","- C132 H188 Br4 O32 Si4 -","4","1","","Wender, Paul A.; Buschmann, Nicole; Cardin, Nathan B.; Jones, Lisa R.; Kan, Cindy; Kee, Jung-Min; Kowalski, John A.; Longcore, Kate E.","Gateway synthesis of daphnane congeners and their protein kinase C affinities and cell-growth activities.","Nature chemistry","2011","3","8","615","619","10.1038/nchem.1074","","","0.71073","MoKα","","0.051","0.0374","","","0.082","0.0871","","","","","","0.979","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507980","19.1682","0.0012","36.703","0.002","40.905","0.003","90","","90","","90","","28778","3","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","C3(Cl)2","","","- C246 H375 Cl3 Fe N51 Na O52 -","- C246 H375 Cl3 Fe N51 Na O52 -","- C984 H1500 Cl12 Fe4 N204 Na4 O208 -","4","1","","Ousaka, Naoki; Takeyama, Yuki; Iida, Hiroki; Yashima, Eiji","Chiral information harvesting in dendritic metallopeptides.","Nature chemistry","2011","3","11","856","861","10.1038/nchem.1146","","","0.71073","MoKα","","0.1644","0.1096","","","0.2812","0.3283","","","","","","1.173","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508007","6.5955","0.0002","7.882","0.0002","29.1769","0.0008","90","","90","","90","","1516.78","0.07","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O -","- C17 H26 O -","- C68 H104 O4 -","4","1","","Thaler, Tobias; Haag, Benjamin; Gavryushin, Andrei; Schober, Katrin; Hartmann, Evelyn; Gschwind, Ruth M.; Zipse, Hendrik; Mayer, Peter; Knochel, Paul","Highly diastereoselective Csp₃-Csp₂ Negishi cross-coupling with 1,2-, 1,3- and 1,4-substituted cycloalkylzinc compounds.","Nature chemistry","2010","2","2","125","130","10.1038/nchem.505","","","0.71073","MoKα","","0.054","0.0386","","","0.0896","0.0972","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508011","10.2994","0.0003","12.6537","0.0004","13.9603","0.0004","90","","90","","90","","1819.38","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","1","","Streuff, Jan; White, David E.; Virgil, Scott C.; Stoltz, Brian M.","A palladium-catalysed enolate alkylation cascade for the formation of adjacent quaternary and tertiary stereocentres.","Nature chemistry","2010","2","3","192","196","10.1038/nchem.518","","","1.54178","CuKα","","0.0311","0.0293","","","0.0643","0.065","","","","","","1.975","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508035","13.582","0.0002","14.3581","0.0002","20.6839","0.0003","90","","90","","90","","4033.6","0.1","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","6b","","","- C37 H57 F3 Fe N2 O3 P3 S Si -","- C37 H58 F3 Fe N2 O3 P3 S Si -","- C148 H232 F12 Fe4 N8 O12 P12 S4 Si4 -","4","1","","Lee, Yunho; Mankad, Neal P.; Peters, Jonas C.","Triggering N(2) uptake via redox-induced expulsion of coordinated NH(3) and N(2) silylation at trigonal bipyramidal iron.","Nature chemistry","2010","2","7","558","565","10.1038/nchem.660","","","1.54178","CuKα","","0.0239","0.0233","","","0.059","0.0592","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508084","10.2485","0.0005","11.2076","0.0004","18.7161","0.0007","90","","90","","90","","2149.75","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br N2 O3 -","- C25 H21 Br N2 O3 -","- C100 H84 Br4 N8 O12 -","4","1","","Antonchick, Andrey P.; Gerding-Reimers, Claas; Catarinella, Mario; Schürmann, Markus; Preut, Hans; Ziegler, Slava; Rauh, Daniel; Waldmann, Herbert","Highly enantioselective synthesis and cellular evaluation of spirooxindoles inspired by natural products.","Nature chemistry","2010","2","9","735","740","10.1038/nchem.730","","","0.71073","MoKα","","0.0296","0.0248","","","0.0554","0.056","","","","","","0.972","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508164","9.8261","0.0002","11.6102","0.0002","14.6754","0.0003","90","","90","","90","","1674.21","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O -","- C20 H30 O -","- C80 H120 O4 -","4","1","","Mendoza, Abraham; Ishihara, Yoshihiro; Baran, Phil S.","Scalable enantioselective total synthesis of taxanes.","Nature chemistry","2012","4","1","21","25","10.1038/nchem.1196","","","1.54178","CuKα","","0.0438","0.0427","","","0.1119","0.1127","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508203","11.4778","0.0002","16.5221","0.0003","27.708","0.0004","90","","90","","90","","5254.47","0.15","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H62 Au2 Cl2 P2 -","- C60 H62 Au2 Cl2 P2 -","- C240 H248 Au8 Cl8 P8 -","4","1","","Felix, Ryan J.; Weber, Dieter; Gutierrez, Osvaldo; Tantillo, Dean J.; Gagné, Michel R","A gold-catalysed enantioselective Cope rearrangement of achiral 1,5-dienes.","Nature chemistry","2012","4","5","405","409","10.1038/nchem.1327","","","1.54184","CuKα","","0.0252","0.0247","","","0.0621","0.0625","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508214","8.2208","0.0003","14.6103","0.0006","17.4739","0.0008","90","","90","","90","","2098.76","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diboronates","(2R)-6,9-dimethyl-2,4-diphenylbenzo[j]-8-aza-1,3,5,2,4-trioxadiboraciclo undec-8-ene","","- C23 H23 B2 N O3 -","- C23 H23 B2 N O3 -","- C92 H92 B8 N4 O12 -","4","1","","Riveraa, Jose Maria; Mendeza, Enrique; Colorado-Peraltab, Raul; Rinconc, Susana; Farfanb, Norberto; Santillan, Rosa","Synthesis, characterization and X-ray studies of new six-seven membered rings [4.5.0] heterobicyclic system of monomeric boronates","Inorganica Chimica Acta","2012","390","","26","32","10.1016/j.ica.2012.03.055","","","0.71073","MoKα","","0.1191","0.0538","","","0.1106","0.1288","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508224","8.6025","0.0001","10.2951","0.0002","27.5041","0.0004","90","","90","","90","","2435.86","0.07","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B2 F8 Fe2 N4 O4 -","- C20 H22 B2 F8 Fe2 N4 O4 -","- C80 H88 B8 F32 Fe8 N16 O16 -","4","1","","Mthiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Bala, Muhammad D.","Reactions of N-heterocyclic ligands with substitutionally labile organometallic complexes, [(eta5-C5R5)Fe(CO)2E]BF4","Inorganica Chimica Acta","2012","390","","83","94","10.1016/j.ica.2012.04.003","","","0.71073","MoKα","","0.0314","0.0284","","","0.0705","0.0715","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508234","5.9123","0.0003","15.7609","0.0007","17.3746","0.0007","90","","90","","90","","1619.02","0.13","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 S -","- C17 H24 O3 S -","- C68 H96 O12 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.0291","0.0283","","","0.0764","0.0775","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508237","8.724","0.003","11.713","0.004","22.823","0.007","90","","90","","90","","2332.2","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O2 S -","- C27 H35 N O2 S -","- C108 H140 N4 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","0.71073","MoKα","","0.1016","0.0715","","","0.1643","0.1882","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508238","7.4983","0.0003","9.7183","0.0003","32.9845","0.0012","90","","90","","90","","2403.6","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O2 S -","- C27 H35 N O2 S -","- C108 H140 N4 O8 S4 -","4","1","","Voica, Ana-Florina; Mendoza, Abraham; Gutekunst, Will R.; Fraga, Jorge Otero; Baran, Phil S.","Guided desaturation of unactivated aliphatics.","Nature chemistry","2012","4","8","629","635","10.1038/nchem.1385","","","1.54178","CuKα","","0.0356","0.0353","","","0.0897","0.0901","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508250","11.8917","0.0003","15.9353","0.0005","26.8697","0.0006","90","","90","","90","","5091.7","0.2","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71 Cr O7 U -","- C52 H71 Cr O7 U -","- C208 H284 Cr4 O28 U4 -","4","1","","Arnold, Polly L.; Mansell, Stephen M.; Maron, Laurent; McKay, David","Spontaneous reduction and C-H borylation of arenes mediated by uranium(III) disproportionation.","Nature chemistry","2012","4","8","668","674","10.1038/nchem.1392","","","0.71073","MoKα","","0.0333","0.0279","","","0.0495","0.0508","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508252","9.958","0.0012","11.116","0.0016","18.302","0.002","90","","90","","90","","2025.9","0.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl O5 -","- C20 H29 Cl O5 -","- C80 H116 Cl4 O20 -","4","1","","Xu, Jing; Jin, Da-Qing; Liu, Cuizhou; Xie, Chunfeng; Guo, Yuanqiang; Fang, Lingzhi","Isolation, Characterization, and NO Inhibitory Activities of Sesquiterpenes from Blumea balsamifera.","Journal of agricultural and food chemistry","2012","60","32","8051","8058","10.1021/jf302530u","","","0.71075","MoKα","","0.0313","0.0275","","","0.0666","0.0674","","","","","","1.004","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508271","6.393","0.002","9.267","0.003","11.825","0.004","90","","90","","90","","700.6","0.4","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O3 -","- C7 H10 O3 -","- C28 H40 O12 -","4","1","","Darensbourg, Donald J.; Wei, Sheng-Hsuan","Depolymerization of Polycarbonates Derived from Carbon Dioxide and Epoxides to Provide Cyclic Carbonates. A Kinetic Study","Macromolecules","2012","45","15","5916","","10.1021/ma301110c","","","0.71073","MoKα","","0.0389","0.033","","","0.0799","0.0891","","","","","","0.479","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508273","10.6167","0.0002","10.7288","0.0002","21.4811","0.0004","90","","90","","90","","2446.79","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O8 -","- C27 H32 O8 -","- C108 H128 O32 -","4","1","","Li, Jun; Li, Min-Yi; Feng, Gang; Zhang, Jing; Karonen, Maarit; Sinkkonen, Jari; Satyanandamurty, Tirumani; Wu, Jun","Moluccensins R-Y, Limonoids from the Seeds of a Mangrove, Xylocarpus moluccensis.","Journal of natural products","2012","75","7","1277","1283","10.1021/np300053f","","","1.54184","CuKα","","0.0427","0.0405","","","0.1045","0.107","","","","","","1.068","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508275","6.234","0.0012","11.064","0.002","22.677","0.005","90","","90","","90","","1564.1","0.5","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O7 -","- C17 H18 O7 -","- C68 H72 O28 -","4","1","","Feng, Yu; Wang, Lin; Niu, Shubin; Li, Li; Si, Yikang; Liu, Xingzhong; Che, Yongsheng","Naphthalenones from a Perenniporia sp. Inhabiting the Larva of a Phytophagous Weevil, Euops chinesis.","Journal of natural products","2012","75","7","1339","1345","10.1021/np300263u","","","0.71073","MoKα","","0.0765","0.0387","","","0.0717","0.0814","","","","","","0.517","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508276","8.245","0.0002","10.6777","0.0003","36.1362","0.0014","90","","90","","90","","3181.35","0.17","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H50 O7 Si2 -","- C27 H47.552 O7 Si1.998 -","- C108 H190.208 O28 Si7.992 -","4","1","","Chambers, Jennifer M.; Huang, David C. S.; Lindqvist, Lisa M.; Savage, G. Paul; White, Jonathan M.; Rizzacasa, Mark A.","Total synthesis of 2‴,5‴-diepisilvestrol and its c1‴ epimer: key structure activity relationships at c1‴ and c2‴.","Journal of natural products","2012","75","8","1500","1504","10.1021/np300376f","","","1.5418","CuKα","","0.048","0.0436","","","0.1165","0.1208","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508281","9.2607","0.0009","10.5798","0.0011","20.273","0.002","90","","90","","90","","1986.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O2 S -","- C19 H28 N2 O2 S -","- C76 H112 N8 O8 S4 -","4","1","","Lin, Hua; Tan, Yu; Sun, Xing-Wen; Lin, Guo-Qiang","Highly Efficient Asymmetric Synthesis of Enantiopure Dihydro-1,2-oxazines: Dual-Organocatalyst-Promoted Asymmetric Cascade Reaction.","Organic letters","2012","14","15","3818","3821","10.1021/ol301218x","","","0.71073","MoKα","","0.0397","0.0332","","","0.0833","0.0889","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508284","7.14747","0.0001","15.2642","0.0002","19.1468","0.0003","90","","90","","90","","2088.92","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 B O5 -","- C25 H21 B O5 -","- C100 H84 B4 O20 -","4","1","","Husain, Syed Masood; Schätzle, Michael A; Röhr, Caroline; Lüdeke, Steffen; Müller, Michael","Biomimetic asymmetric synthesis of (R)-GTRI-02 and (3S,4R)-3,4-dihydroxy-3,4-dihydronaphthalen-1(2H)-ones.","Organic letters","2012","14","14","3600","3603","10.1021/ol301305p","","","0.7107","MoKα","","0.0682","0.0428","","","0.1032","0.1101","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508289","8.798","0.002","11.027","0.003","30.298","0.007","90","","90","","90","","2939.4","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N3 O4 -","- C33 H37 N3 O4 -","- C132 H148 N12 O16 -","4","1","","Ma, Ai-Jun; Tu, Yong-Qiang; Peng, Jin-Bao; Dou, Qing-Yun; Hou, Si-Hua; Zhang, Fu-Min; Wang, Shao-Hua","Total synthesis of (-)-FR901483.","Organic letters","2012","14","14","3604","3607","10.1021/ol301331t","","","0.71073","MoKα","","0.1322","0.0581","","","0.1113","0.1383","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508294","10.2613","0.0006","14.1399","0.001","16.2722","0.0009","90","","90","","90","","2361","0.3","147","2","147","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 O -","- C32 H32 O -","- C128 H128 O4 -","4","1","","Liu, Hongqiang; El-Salfiti, Mohamed; Chai, David I.; Auffret, Jérémy; Lautens, Mark","Modular and stereoselective synthesis of tetrasubstituted helical alkenes via a palladium-catalyzed domino reaction.","Organic letters","2012","14","14","3648","3651","10.1021/ol301495q","","","1.54178","CuKα","","0.0403","0.0376","","","0.0921","0.094","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508309","4.6748","0.0005","14.5081","0.0017","24.325","0.003","90","","90","","90","","1649.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br N2 O -","- C18 H13 Br N2 O -","- C72 H52 Br4 N8 O4 -","4","1","","Gao, Kai; Wu, Bo; Yu, Chang-Bin; Chen, Qing-An; Ye, Zhi-Shi; Zhou, Yong-Gui","Iridium catalyzed asymmetric hydrogenation of cyclic imines of benzodiazepinones and benzodiazepines.","Organic letters","2012","14","15","3890","3893","10.1021/ol301620z","","","0.71073","MoKα","","0.0784","0.0608","","","0.1545","0.1634","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508343","6.0667","0.0001","14.0644","0.0003","36.6","0.0008","90","","90","","90","","3122.88","0.11","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O3 S -","- C15 H16 Cl N O3 S -","- C120 H128 Cl8 N8 O24 S8 -","8","2","","Jackowski, Olivier; Wang, Jianping; Xie, Xiaomin; Ayad, Tahar; Zhang, Zhaoguo; Ratovelomanana-Vidal, Virginie","Enantioselective Rhodium-Catalyzed Synthesis of α-Chloromethylene-γ-Butyrolactams from N-Allylic Alkynamides.","Organic letters","2012","14","15","4006","4009","10.1021/ol3017935","","","1.54178","CuKα","","0.0246","0.0241","","","0.0653","0.0657","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508346","7.3411","0.0003","8.1629","0.0003","18.5968","0.0008","90","","90","","90","","1114.41","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","1","","Kabro, Anzhelika; Escudero-Adán, Eduardo C; Grushin, Vladimir V.; van Leeuwen, Piet W. N. M.","Biomass conversion to high value chemicals: from furfural to chiral hydrofuroins in two steps.","Organic letters","2012","14","15","4014","4017","10.1021/ol3018402","","","0.71073","MoKα","","0.0368","0.033","","","0.0886","0.0916","","","","","","1.137","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508354","9.401","0.0016","20.75","0.004","22.696","0.004","90","","90","","90","","4427.3","1.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H56 Cl4 N2 P2 Pd2 -","- C43 H56 Cl4 N2 P2 Pd2 -","- C172 H224 Cl16 N8 P8 Pd8 -","4","1","","Reynolds, Samantha C.; Hughes, Russell P.; Glueck, David S.; Rheingold, Arnold L.","Synthesis, Reactivity, and Resolution of a C(2)-Symmetric, P-Stereogenic Benzodiphosphetane, a Building Block for Chiral Bis(phosphines).","Organic letters","2012","14","16","4238","4241","10.1021/ol301935q","","","0.71073","MoKα","","0.0299","0.0272","","","0.0692","0.0711","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508355","7.9316","0.0005","11.5927","0.0007","19.0616","0.0012","90","","90","","90","","1752.69","0.19","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br N2 O5 -","- C16 H17 Br N2 O5 -","- C64 H68 Br4 N8 O20 -","4","1","","Chen, Guo-Ying; Zhong, Fangrui; Lu, Yixin","Asymmetric allylic alkylation of isatin-derived morita-baylis-hillman carbonates with nitroalkanes.","Organic letters","2012","14","15","3955","3957","10.1021/ol301962e","","","0.71073","MoKα","","0.0663","0.0403","","","0.086","0.0945","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508360","10.5822","0.0004","11.4387","0.0006","12.8091","0.0008","90","","90","","90","","1550.5","0.14","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 I N O3 -","- C13 H22 I N O3 -","- C52 H88 I4 N4 O12 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","1.5418","CuKα","","0.1224","0.0624","","0.1468","0.0738","0.0608","","","","","","0.9631","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508362","6.3402","0.0002","8.2496","0.0003","18.8623","0.0006","90","","90","","90","","986.58","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of the Tropane Alkaloid (+)-Pseudococaine via Ring-Closing Iodoamination.","Organic letters","2012","14","16","4278","4281","10.1021/ol3020607","","","0.71073","MoKα","","0.0478","0.0383","","0.105","0.093","0.105","","","","","","0.9422","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508365","5.0655","0.0006","8.4614","0.0008","46.856","0.005","90","","90","","90","","2008.3","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Alfonso, Ignacio; Bolte, Michael; Burguete, M. Isabel; Luis, Santiago V.","Crystal Structure of the N-Benzyloxycarbonyl-alanyl-phenylalanyl-methyl Ester: The Importance of the H-Bonding Pattern","Crystals","2011","1","3","163","170","10.3390/cryst1030163","","","0.71073","MoKα","","0.091","0.0416","","","0.0603","0.0697","","","","","","0.73","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508371","8.564","0.005","9.593","0.006","11.607","0.006","90","","90","","90","","953.6","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H17 N2 O4 P -","- C5 H17 N2 O4 P -","- C20 H68 N8 O16 P4 -","4","1","","Harrison, William T. A.","Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2 HPO3 H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2 HPO3 2 23H2O","Crystals","2011","1","4","236","243","10.3390/cryst1040236","","","0.71073","MoKα","","0.1598","0.0657","","","0.065","0.0811","","","","","","0.785","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508375","9.7945","0.0007","10.1945","0.0007","21.306","0.001","90","","90","","90","","2127.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2:5,6-Di-O-isopropylidene-3-O-tosyl-α-D-glucofuranose","","- C19 H26 O8 S -","- C19 H26 O8 S -","- C76 H104 O32 S4 -","4","1","","Mamat, Constantin; Peppel, Tim; Köckerling, Martin","The Molecular Structure of 1,2:5,6-Di-O-isopropylidene-3-O-toluenesulfonyl-α-D-glucofuranose","Crystals","2012","2","1","105","109","10.3390/cryst2010105","","","0.71073","MoKα","","0.066","0.0509","","","0.1228","0.1346","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508391","6.6491","0.0003","7.9627","0.0006","30.621","0.005","90","","90","","90","","1621.2","0.3","130","0.1","130","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl N2 O4 -","- C18 H13 Cl N2 O4 -","- C72 H52 Cl4 N8 O16 -","4","1","","Khan, Imtiaz; White, Jonathan M.","Simple and Efficient One-Pot Synthesis, Spectroscopic Characterization and Crystal Structure of Methyl 5-(4-Chlorobenzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate","Crystals","2012","2","3","967","973","10.3390/cryst2030967","","","0.7107","MoKα","","0.0354","0.031","","","0.0795","0.0819","","","","","","1.122","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508400","6.8921","0.0003","11.4302","0.0009","44.964","0.003","90","","90","","90","","3542.2","0.4","150.05","0.1","150.05","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Aegelinol","pyranocoumarin","","- C14 H14 O4 -","- C14 H14 O4 -","- C168 H168 O48 -","12","3","","Elasaad, Kossay; Alkhatib, Racha; Hennebelle, Thierry; Norberg, Bernadette; Wouters, Johan","Determination of the Absolute Configuration of Aegelinol by Crystallization of Its Inclusion Complex with beta-Cyclodextrin","Crystals","2012","2","4","1441","1454","10.3390/cryst2041441","","","0.71073","MoKα","","0.0522","0.0444","","","0.0956","0.1005","","","","","","1.097","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508436","13.264","0.0009","6.1681","0.0004","6.5148","0.0005","90","","90","","90","","533","0.06","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H3 Ni O7 S Tb -","- H3 Ni O7 S Tb -","- H12 Ni4 O28 S4 Tb4 -","4","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.0346","0.0339","","","0.0844","0.0848","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508437","13.256","0.0008","6.132","0.0004","6.4907","0.0004","90","","90","","90","","527.6","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Dy H3 Ni O7 S -","- Dy H3 Ni O7 S -","- Dy4 H12 Ni4 O28 S4 -","4","1","","Xiqu Wang; Lumei Liu; Allan J. Jacobson","Synthesis and structures of a series of novel rare earth transition metal sulfates","Journal of rare earths","2006","24","6","659","662","10.1016/S1002-0721(07)60004-0","","","0.71073","MoKα","","0.032","0.0316","","","0.0812","0.0814","","","","","","1.068","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508496","5.1024","0.0003","8.2922","0.0005","9.3064","0.0006","90","","90","","90","","393.75","0.04","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H4 N2 O -","- C3 H4 N2 O -","- C12 H16 N8 O4 -","4","1","","Laus, Gerhard; Kahlenberg, Volker","Crystal Structures of 1-Hydroxyimidazole and Its Salts","Crystals","2012","2","4","1492","1501","10.3390/cryst2041492","","","1.5418","CuKα","","0.0315","0.0301","","","0.0818","0.0829","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508551","9.0425","0.0015","14.736","0.002","20.513","0.003","90","","90","","90","","2733.4","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Al2 N2 O4 -","- C28 H36 Al2 N2 O4 -","- C112 H144 Al8 N8 O16 -","4","1","","Nishioka, Kiyoshi; Goto, Hidetoshi; Sugimoto, Hiroshi","Dual Catalyst System for Asymmetric Alternating Copolymerization of Carbon Dioxide and Cyclohexene Oxide with Chiral Aluminum Complexes: Lewis Base as Catalyst Activator and Lewis Acid as Monomer Activator","Macromolecules","2012","45","20","8172","","10.1021/ma301696d","","","0.71073","MoKα","","0.159","0.111","","","0.2644","0.2921","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508554","8.0388","0.0002","11.6016","0.0002","14.5562","0.0003","90","","90","","90","","1357.55","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.0312","0.0306","","","0.0819","0.0824","","","","","","1.063","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508555","6.1878","0.0001","12.2291","0.0002","18.9781","0.0002","90","","90","","90","","1436.1","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C60 H104 O16 -","4","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.0291","0.0285","","","0.0783","0.0791","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508557","7.9289","0.0002","9.7894","0.0002","19.0738","0.0004","90","","90","","90","","1480.49","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O4 -","- C15 H28 O4 -","- C60 H112 O16 -","4","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.0459","0.0419","","","0.1106","0.1158","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508558","7.2909","0.0002","7.7433","0.0001","24.0515","0.0004","90","","90","","90","","1357.84","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Zang, Le Yun; Wei, Wei; Guo, Ye; Wang, Ting; Jiao, Rui Hua; Ng, Seik Weng; Tan, Ren Xiang; Ge, Hui Ming","Sesquiterpenoids from the mangrove-derived endophytic fungus Diaporthe sp.","Journal of natural products","2012","75","10","1744","1749","10.1021/np3004112","","","1.54184","CuKα","","0.036","0.0355","","","0.0955","0.0962","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508563","8.8343","0.0002","12.0172","0.0004","17.6834","0.0004","90","","90","","90","","1877.33","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O5 -","- C21 H24 O5 -","- C84 H96 O20 -","4","1","","Wang, Guo-Cai; Li, Jia-Gui; Li, Guo-Qiang; Xu, Jiao-Jiao; Wu, Xia; Ye, Wen-Cai; Li, Yao-Lan","Clerodane Diterpenoids from Croton crassifolius.","Journal of natural products","2012","75","12","2188","2192","10.1021/np300636k","","","1.5418","CuKα","","0.0385","0.035","","","0.0865","0.0897","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508565","6.7585","0.0002","7.0786","0.0003","35.5061","0.0012","90","","90","","90","","1698.64","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Guo-Cai; Li, Jia-Gui; Li, Guo-Qiang; Xu, Jiao-Jiao; Wu, Xia; Ye, Wen-Cai; Li, Yao-Lan","Clerodane Diterpenoids from Croton crassifolius.","Journal of natural products","2012","75","12","2188","2192","10.1021/np300636k","","","1.5418","CuKα","","0.0326","0.0312","","","0.0858","0.0869","","","","","","1.08","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1508593","7.2279","0.0003","12.4336","0.0005","17.6522","0.0007","90","","90","","90","","1586.38","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Br N O5 -","- C16 H22 Br N O5 -","- C64 H88 Br4 N4 O20 -","4","1","","Navarro, Raul; Reisman, Sarah E.","Rapid construction of the aza-propellane core of acutumine via a photochemical [2 + 2] cycloaddition reaction.","Organic letters","2012","14","17","4354","4357","10.1021/ol3017963","","","0.71073","MoKα","","0.0728","0.049","","","0.0744","0.0768","","","","","","1.534","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508594","12.1329","0.0005","14.5974","0.0006","16.4163","0.0007","90","","90","","90","","2907.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C128 H184 N8 O32 -","8","2","","Navarro, Raul; Reisman, Sarah E.","Rapid construction of the aza-propellane core of acutumine via a photochemical [2 + 2] cycloaddition reaction.","Organic letters","2012","14","17","4354","4357","10.1021/ol3017963","","","0.71073","MoKα","","0.0649","0.042","","","0.0639","0.0649","","","","","","1.728","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1508602","9.47","0.003","10.14","0.003","25.192","0.007","90","","90","","90","","2419.1","1.2","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Fe N2 O4 -","- C28 H26 Fe N2 O4 -","- C112 H104 Fe4 N8 O16 -","4","1","","Imae, Kazumi; Konno, Takashi; Ogata, Kenichi; Fukuzawa, Shin-ichi","Silver/ThioClickFerrophos-catalyzed enantioselective conjugate addition and cycloaddition of glycine imino ester with nitroalkenes.","Organic letters","2012","14","17","4410","4413","10.1021/ol301916t","","","0.71075","MoKα","","","0.0417","","","","0.1351","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508603","8.53926","0.00015","10.9997","0.0002","27.0467","0.0005","90","","90","","90","","2540.48","0.08","198","","198","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O5 -","- C28 H30 N2 O5 -","- C112 H120 N8 O20 -","4","1","","Imae, Kazumi; Konno, Takashi; Ogata, Kenichi; Fukuzawa, Shin-ichi","Silver/ThioClickFerrophos-catalyzed enantioselective conjugate addition and cycloaddition of glycine imino ester with nitroalkenes.","Organic letters","2012","14","17","4410","4413","10.1021/ol301916t","","","1.54187","CuKα","","","0.0677","","","","0.0611","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508606","7.0392","0.0002","12.0912","0.0003","19.0161","0.0004","90","","90","","90","","1618.51","0.07","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Acortatarin B","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Wurst, Jacqueline M.; Verano, Alyssa L.; Tan, Derek S.","Stereoselective synthesis of acortatarins A and B.","Organic letters","2012","14","17","4442","4445","10.1021/ol3019456","","","1.54178","CuKα","","0.0362","0.0345","","","0.0853","0.0868","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508617","7.7247","0.0008","15.2035","0.0015","25.702","0.003","90","","90","","90","","3018.5","0.6","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 Cl N O4 S Si -","- C28 H42 Cl N O4 S Si -","- C112 H168 Cl4 N4 O16 S4 Si4 -","4","1","","Narumi, Tetsuo; Kobayakawa, Takuya; Aikawa, Haruo; Seike, Shunsuke; Tamamura, Hirokazu","Stereoselective formation of trisubstituted (Z)-chloroalkenes adjacent to a tertiary carbon stereogenic center by organocuprate-mediated reduction/alkylation.","Organic letters","2012","14","17","4490","4493","10.1021/ol301988d","","","1.54187","CuKα","","","0.0777","","","","0.1373","","","","","","1.256","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508620","8.5616","0.0003","13.1029","0.0003","13.4976","0.0004","90","","90","","90","","1514.18","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Cl N2 O5 -","- C14 H15 Cl N2 O5 -","- C56 H60 Cl4 N8 O20 -","4","1","","Jörres, Manuel; Schiffers, Ingo; Atodiresei, Iuliana; Bolm, Carsten","Asymmetric Michael additions of α-nitrocyclohexanone to aryl nitroalkenes catalyzed by natural amino acid-derived bifunctional thioureas.","Organic letters","2012","14","17","4518","4521","10.1021/ol302005f","","","1.54178","CuKα","","0.0368","0.0363","","","0.0957","0.0963","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508634","6.277","0.004","12.925","0.007","22.242","0.012","90","","90","","90","","1804.5","1.8","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","3-amino-6-methoxychroman-4-one","3-(2-trimethylsilylethansulfonyl)amido-6-methoxychroman-4-one","","- C15 H23 N O5 S Si -","- C15 H23 N O5 S Si -","- C60 H92 N4 O20 S4 Si4 -","4","1","","Fukunaga, Yasuaki; Uchida, Tatsuya; Ito, Yutaro; Matsumoto, Kenji; Katsuki, Tsutomu","Ru(CO)-salen-catalyzed synthesis of enantiopure aziridinyl ketones and formal asymmetric synthesis of (+)-PD 128907.","Organic letters","2012","14","17","4658","4661","10.1021/ol302095r","","x-ray","0.71073","MoKα","","0.0291","0.0272","","","0.0698","0.0709","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508635","6.0163","0.0004","11.5254","0.0008","24.3425","0.0018","90","","90","","90","","1687.9","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O3 S Si -","- C14 H25 N O3 S Si -","- C56 H100 N4 O12 S4 Si4 -","4","1","","Fukunaga, Yasuaki; Uchida, Tatsuya; Ito, Yutaro; Matsumoto, Kenji; Katsuki, Tsutomu","Ru(CO)-salen-catalyzed synthesis of enantiopure aziridinyl ketones and formal asymmetric synthesis of (+)-PD 128907.","Organic letters","2012","14","17","4658","4661","10.1021/ol302095r","","","0.71073","MoKα","","0.022","0.0214","","","0.0573","0.0577","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508644","10.7579","0.0003","11.8769","0.0003","13.9733","0.0004","90","","90","","90","","1785.38","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Mohanan, Kishor; Coquerel, Yoann; Rodriguez, Jean","Transition-metal-free α-arylation of β-keto amides via an interrupted insertion reaction of arynes.","Organic letters","2012","14","17","4686","4689","10.1021/ol302180v","","x-ray","0.71073","MoKα","","0.0916","0.059","","","0.152","0.1918","","","","","","1.234","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508645","8.2769","0.0003","12.3605","0.0004","13.4157","0.0004","90","","90","","90","","1372.51","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Ding, Jian-Hai; Feng, Tao; Li, Zheng-Hui; Yang, Xiao-Yan; Guo, Hua; Yin, Xia; Wang, Gang-Qiang; Liu, Ji-Kai","Trefolane A, a sesquiterpenoid with a new skeleton from cultures of the basidiomycete Tremella foliacea.","Organic letters","2012","14","18","4976","4978","10.1021/ol302184r","","","1.54178","CuKα","","0.0342","0.0342","","","0.0888","0.0888","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508646","5.927","0.005","12.535","0.005","24.978","0.005","90","","90","","90","","1855.7","1.8","293","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O5 S -","- C19 H27 N O5 S -","- C76 H108 N4 O20 S4 -","4","1","","Bardají, Nuria; Sánchez-Izquierdo, Francisco; Alibés, Ramón; Font, Josep; Busqué, Félix; Figueredo, Marta","Flexible approach to stemona alkaloids: total syntheses of (-)-stemospironine and three new diastereoisomeric analogs.","Organic letters","2012","14","18","4854","4857","10.1021/ol302185j","","","0.7379","MoKα","","0.1175","0.0638","","","0.1329","0.1581","","","","","","1.083","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508688","10.8909","0.0003","13.7047","0.0004","34.1253","0.0009","90","","90","","90","","5093.4","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 O12 -","- C30 H34 O6 -","- C240 H272 O48 -","8","2","","Shao, Meng; Wang, Ying; Jian, Yu-Qing; Huang, Xiao-Jun; Zhang, Dong-Mei; Tang, Qing-Fa; Jiang, Ren-Wang; Sun, Xue-Gang; Lv, Zhi-Ping; Zhang, Xiao-Qi; Ye, Wen-Cai","Guadial A and psiguadials C and D, three unusual meroterpenoids from Psidium guajava.","Organic letters","2012","14","20","5262","5265","10.1021/ol302423b","","","1.54184","CuKα","","0.0397","0.0355","","","0.0909","0.0942","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508695","5.7572","0.0001","11.6775","0.0002","19.3379","0.0004","90","","90","","90","","1300.08","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","","Yang, Xiao-Yan; Feng, Tao; Li, Zheng-Hui; Sheng, Yu; Yin, Xia; Leng, Ying; Liu, Ji-Kai","Conosilane A, an unprecedented sesquiterpene from the cultures of basidiomycete Conocybe siliginea.","Organic letters","2012","14","20","5382","5384","10.1021/ol302468a","","","1.54178","CuKα","","0.0357","0.0357","","","0.1106","0.1108","","","","","","1.165","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508708","8.6017","0.001","8.8242","0.0011","21.789","0.003","90","","90","","90","","1653.9","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C72 H72 O20 S4 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.1206","0.0748","","","0.1716","0.1999","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508709","8.548","0.0004","8.7031","0.0005","21.6417","0.0011","90","","90","","90","","1610.01","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C72 H72 O20 S4 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.051","0.0471","","","0.1016","0.1036","","","","","","1.131","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508710","8.5503","0.0002","8.7108","0.0002","21.6531","0.0005","90","","90","","90","","1612.72","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C72 H72 O20 S4 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.0542","0.0385","","","0.0909","0.0979","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508711","8.6054","0.0014","8.8177","0.0014","21.769","0.003","90","","90","","90","","1651.8","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 S -","- C18 H18 O5 S -","- C72 H72 O20 S4 -","4","1","","Hong, Bor-Cherng; Dange, Nitin S.; Yen, Po-Jen; Lee, Gene-Hsiang; Liao, Ju-Hsiou","Organocatalytic asymmetric anti-selective Michael reactions of aldehydes and the sequential reduction/lactonization/Pauson-Khand reaction for the enantioselective synthesis of highly functionalized hydropentalenes.","Organic letters","2012","14","20","5346","5349","10.1021/ol302527z","","","0.71073","MoKα","","0.0825","0.0622","","","0.1663","0.1854","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508718","6.9403","0.0002","14.831","0.0003","24.1141","0.0006","90","","90","","90","","2482.1","0.11","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N4 O9 -","- C23 H30 N4 O9 -","- C92 H120 N16 O36 -","4","1","","Asai, Teigo; Morita, Shuntaro; Shirata, Naoki; Taniguchi, Tohru; Monde, Kenji; Sakurai, Hiroaki; Ozeki, Tomoji; Oshima, Yoshiteru","Structural diversity of new C13-polyketides produced by Chaetomium mollipilium cultivated in the presence of a NAD(+)-dependent histone deacetylase inhibitor.","Organic letters","2012","14","21","5456","5459","10.1021/ol302539s","","","1.54186","CuKα","","0.0518","0.0502","","","0.1521","0.1541","","","","","","1.171","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508720","9.5047","0.0001","13.4605","0.0002","24.465","0.0004","90","","90","","90","","3130","0.08","150","","150","","","","","","","","syn","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 N O8 Si -","- C31 H43 N O8 Si -","- C124 H172 N4 O32 Si4 -","4","1","","Donohoe, Timothy J.; O'Riordan, Timothy J C; Peifer, Manuel; Jones, Christopher R.; Miles, Timothy J.","Asymmetric synthesis of the fully elaborated pyrrolidinone core of oxazolomycin A.","Organic letters","2012","14","21","5460","5463","10.1021/ol302541j","","","0.71073","MoKα","","0.0557","0.0516","","0.1453","0.1425","0.1453","","","","","","1.0441","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508731","7.4156","0.0005","8.8137","0.0006","13.4503","0.0009","90","","90","","90","","879.1","0.1","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-[1,2,3]Triazol-1-yl-1H-indole","","- C10 H8 N4 -","- C10 H8 N4 -","- C40 H32 N16 -","4","1","","Wu, Wen-Bin; Huang, Jing-Mei","Highly Regioselective C-N Bond Formation through C-H Azolation of Indoles Promoted by Iodine in Aqueous Media.","Organic letters","2012","14","23","5832","5835","10.1021/ol302609m","","","0.71073","MoKα","","0.0399","0.0368","","","0.0984","0.1007","","","","","","1.055","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508739","7.7343","0.0002","8.2695","0.0002","10.429","0.0003","90","","90","","90","","667.03","0.03","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars.","Organic letters","2012","14","22","5652","5655","10.1021/ol302619r","","","0.71073","MoKα","","0.0352","0.0323","","0.0809","0.0796","0.0809","","","","","","1.0848","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508740","5.7141","0.001","13.121","0.002","18.59","0.003","90","","90","","90","","1393.8","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Jacobsen, Christian Borch; Albrecht, Łukasz; Udmark, Jonas; Jørgensen, Karl Anker","Enantioselective formation of substituted 3,4-dihydrocoumarins by a multicatalytic one-pot process.","Organic letters","2012","14","21","5526","5529","10.1021/ol302627u","","","0.71073","MoKα","","0.0172","0.0165","","","0.0401","0.0403","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508752","6.3189","0.0009","13.2585","0.0019","17.498","0.003","90","","90","","90","","1466","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C68 H92 N4 O12 -","4","1","","Wang, Xiao-Jing; Liu, Yun-Bao; Li, Li; Yu, Shi-Shan; Lv, Hai-Ning; Ma, Shuang-Gang; Bao, Xiu-Qi; Zhang, Dan; Qu, Jing; Li, Yong","Lycojaponicumins D and E: two new alkaloids from Lycopodium japonicum.","Organic letters","2012","14","22","5688","5691","10.1021/ol302701y","","","1.54186","CuKα","","0.0354","0.0344","","","0.0788","0.0795","","","","","","1.107","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508754","9.784","","13.467","","16.619","","90","","90","","90","","2189.74","","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cl N O3 -","- C27 H24 Cl N O3 -","- C108 H96 Cl4 N4 O12 -","4","1","","Cassani, Carlo; Melchiorre, Paolo","Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins.","Organic letters","2012","14","21","5590","5593","10.1021/ol302711w","","","0.71073","MoKα","","0.0525","0.0416","","","0.1008","0.107","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508756","6.952","0.0008","12.8684","0.0013","23.405","0.003","90","","90","","90","","2093.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl N O3 -","- C26 H20 Cl N O3 -","- C104 H80 Cl4 N4 O12 -","4","1","","Cassani, Carlo; Melchiorre, Paolo","Direct catalytic enantioselective vinylogous aldol reaction of α-branched enals with isatins.","Organic letters","2012","14","21","5590","5593","10.1021/ol302711w","","","0.71073","MoKα","","0.0442","0.0385","","","0.0976","0.1016","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508769","10.7551","0.0008","10.8927","0.0006","17.419","0.0001","90","","90","","90","","2040.67","0.19","155","2","155","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N O -","- C29 H23 N O -","- C116 H92 N4 O4 -","4","1","","Xiao, You-Cai; Zhou, Qing-Qing; Dong, Lin; Liu, Tian-Yu; Chen, Ying-Chun","Asymmetric Diels-Alder Reaction of 2-Methyl-3-indolylmethanols via in Situ Generation of o-Quinodimethanes.","Organic letters","2012","14","23","5940","5943","10.1021/ol302853m","","","1.54184","CuKα","","0.0266","0.0265","","","0.0648","0.0649","","","","","","1.008","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508773","5.78493","0.00007","12.86729","0.00013","21.7765","0.0002","90","","90","","90","","1620.96","0.03","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Abels, Falko; Lindemann, Chris; Koch, Eva; Schneider, Christoph","A General Organocatalytic Approach toward the Enantioselective Total Synthesis of Indolizidine Based Alkaloids.","Organic letters","2012","14","23","5972","5975","10.1021/ol302871u","","","1.54184","CuKα","","0.0353","0.0351","","","0.094","0.0942","","","","","","1.012","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508774","5.9928","0.0001","12.5308","0.0003","22.425","0.0004","90","","90","","90","","1684","0.06","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Abels, Falko; Lindemann, Chris; Koch, Eva; Schneider, Christoph","A General Organocatalytic Approach toward the Enantioselective Total Synthesis of Indolizidine Based Alkaloids.","Organic letters","2012","14","23","5972","5975","10.1021/ol302871u","","","1.54184","CuKα","","0.0285","0.0276","","","0.0728","0.0734","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508775","9.6599","0.0004","10.661","0.0004","21.2315","0.0009","90","","90","","90","","2186.51","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O6 -","- C25 H24 N2 O6 -","- C100 H96 N8 O24 -","4","1","","Albertshofer, Klaus; Anderson, Kimberly E.; Barbas, 3rd, Carlos F","Assembly of Spirooxindole Derivatives via Organocatalytic Iminium-Enamine Cascade Reactions.","Organic letters","2012","14","23","5968","5971","10.1021/ol302876c","","","1.54178","CuKα","","0.0249","0.0248","","","0.069","0.0692","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508779","8.6754","0.0003","14.638","0.0005","21.7393","0.0008","90","","90","","90","","2760.68","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(iodo(naphthalen-2-yl)methylene)tetrahydros","","","- C15 H13 I Se -","- C15 H13 I Se -","- C120 H104 I8 Se8 -","8","2","","Gai, Rafaela M.; Schumacher, Ricardo F.; Back, Davi F.; Zeni, Gilson","Regioselective Formation of Tetrahydroselenophenes via 5-exo-dig-Cyclization of 1-Butylseleno-4-alkynes","Organic Letters","2012","14","23","6072","6075","10.1021/ol302919b","","","0.71073","MoKα","","0.046","0.0348","","","0.0809","0.0852","","","","","","1.049","","","","has coordinates","218597","2020-10-21","18:00:00",""
"1508786","7.6981","0.001","10.9144","0.0014","19.206","0.002","90","","90","","90","","1613.7","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","","Wang, Jun-Gang; Wang, Meng; Xiang, Jia-Chen; Zhu, Yan-Ping; Xue, Wei-Jian; Wu, An-Xin","Direct Synthesis of Substituted Naphthalenes from 1,3-Dicarbonyl Compounds and 1,2-Bis(halomethyl)benzenes Including a Novel Rearrangement Aromatization of Benzo[c]oxepine.","Organic letters","2012","14","23","6060","6063","10.1021/ol302950w","","","0.71073","MoKα","","0.0388","0.0328","","","0.0884","0.0932","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508800","6.173","0.002","10.624","0.003","16.08","0.004","90","","90","","90","","1054.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 I O2 -","- C9 H15 I O2 -","- C36 H60 I4 O8 -","4","1","","Fang, Chao; Paull, Daniel H.; Hethcox, J. Caleb; Shugrue, Christopher R.; Martin, Stephen F.","Enantioselective iodolactonization of disubstituted olefinic acids using a bifunctional catalyst.","Organic letters","2012","14","24","6290","6293","10.1021/ol3030555","","","0.71075","MoKα","","0.0972","0.0832","","","0.1598","0.1678","","","","","","1.113","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508805","11.849","0.002","17.116","0.003","22.974","0.004","90","","90","","90","","4659.3","1.4","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Cl4 Ir N2 O6 P2 -","- C48 H35 Ir N2 O10 P2 -","- C192 H140 Ir4 N8 O40 P8 -","4","1","","Schmitt, Daniel C.; Dechert-Schmitt, Anne-Marie R; Krische, Michael J.","Iridium-Catalyzed Allylation of Chiral β-Stereogenic Alcohols: Bypassing Discrete Formation of Epimerizable Aldehydes.","Organic letters","2012","14","24","6302","6305","10.1021/ol3030692","","","0.71075","MoKα","","0.0261","0.0252","","","0.0656","0.0659","","","","","","1.118","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508806","12.0018","0.0009","17.5679","0.0013","21.824","0.002","90","","90","","90","","4601.5","0.6","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H42 Cl4 Ir N O9 P2 -","- C51 H42 Cl4 Ir N O9 P2 -","- C204 H168 Cl16 Ir4 N4 O36 P8 -","4","1","","Schmitt, Daniel C.; Dechert-Schmitt, Anne-Marie R; Krische, Michael J.","Iridium-Catalyzed Allylation of Chiral β-Stereogenic Alcohols: Bypassing Discrete Formation of Epimerizable Aldehydes.","Organic letters","2012","14","24","6302","6305","10.1021/ol3030692","","","0.71075","MoKα","","0.0278","0.0269","","","0.0717","0.0719","","","","","","1.347","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508807","8.8732","0.0002","9.6183","0.0002","25.3162","0.0006","90","","90","","90","","2160.61","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O7 -","- C22 H27 N O7 -","- C88 H108 N4 O28 -","4","1","","Li, Meiling; Datta, Swarup; Barber, David M.; Dixon, Darren J.","Dual amine and palladium catalysis in diastereo- and enantioselective allene carbocyclization reactions.","Organic letters","2012","14","24","6350","6353","10.1021/ol303128s","","","0.71073","MoKα","","0.068","0.0402","","0.1211","0.0924","0.1211","","","","","","0.9568","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508811","7.267","0.0001","17.0474","0.0002","21.466","0.0003","90","","90","","90","","2659.28","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O5 -","- C30 H44 O5 -","- C120 H176 O20 -","4","1","","Liang, Cheng-Qin; Shi, Yi-Ming; Luo, Rong-Hua; Li, Xing-Yao; Gao, Zhong-Hua; Li, Xiao-Nian; Yang, Liu-Meng; Shang, Shan-Zhai; Li, Yan; Zheng, Yong-Tang; Zhang, Hong-Bin; Xiao, Wei-Lie; Sun, Han-Dong","Kadcoccitones A and B, Two New 6/6/5/5-Fused Tetracyclic Triterpenoids from Kadsura coccinea.","Organic letters","2012","14","24","6362","6365","10.1021/ol303168y","","","1.54178","CuKα","","0.0507","0.0506","","","0.1229","0.1231","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508814","5.0772","0.0002","14.0415","0.0005","20.6933","0.0006","90","","90","","90","","1475.26","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 F3 N2 O5 S -","- C13 H13 F3 N2 O5 S -","- C52 H52 F12 N8 O20 S4 -","4","1","","Fritz, Sven P.; West, Thomas H.; McGarrigle, Eoghan M.; Aggarwal, Varinder K.","Diastereoselective Synthesis of CF(3)-Substituted, Epoxide-Fused Heterocycles with β-(Trifluoromethyl)vinylsulfonium Salts.","Organic letters","2012","14","24","6370","6373","10.1021/ol303200n","","","0.71073","MoKα","","0.0313","0.0273","","","0.0655","0.0676","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508815","5.3129","0.0002","9.094","0.0003","16.9173","0.0005","90","","90","","90","","817.37","0.05","130","0.2","130","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O4 Se -","- C6 H12 O4 Se -","- C24 H48 O16 Se4 -","4","1","","Storkey, Corin; Pattison, David I.; White, Jonathan M.; Schiesser, Carl H.; Davies, Michael J.","Preventing protein oxidation with sugars: scavenging of hypohalous acids by 5-selenopyranose and 4-selenofuranose derivatives.","Chemical research in toxicology","2012","25","11","2589","2599","10.1021/tx3003593","","","1.5418","CuKα","","0.0247","0.0247","","","0.065","0.065","","","","","","1.119","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508839","9.8904","0.0001","10.0215","0.0001","15.205","0.0002","90","","90","","90","","1507.07","0.03","155","","155","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Wang, Shao-Juan; Bao, Li; Han, Jun-Jie; Wang, Quan-Xin; Yang, Xiao-Li; Wen, Hua-An; Guo, Liang-Dong; Li, Shao-Jie; Zhao, Feng; Liu, Hong-Wei","Pleurospiroketals A-E, Perhydrobenzannulated 5,5-Spiroketal Sesquiterpenes from the Edible Mushroom Pleurotus cornucopiae.","Journal of natural products","2013","76","1","45","50","10.1021/np3006524","","","1.5418","CuKα","","0.0331","0.0319","","","0.0812","0.0823","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508842","6.1191","0.0016","12.656","0.003","18.088","0.005","90","","90","","90","","1400.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Cao, Zhong-Yan; Zhou, Feng; Yu, Yi-Hua; Zhou, Jian","A Highly Diastereo- and Enantioselective Hg(II)-Catalyzed Cyclopropanation of Diazooxindoles and Alkenes.","Organic letters","2013","15","1","42","45","10.1021/ol302998m","","","0.71073","MoKα","","0.0384","0.028","","","0.0574","0.0609","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508846","12.8975","0.0007","14.6754","0.0008","16.4298","0.0009","90","","90","","90","","3109.8","0.3","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2a in manuscript","","","- C12.5 H20 Cl2 Ir N O2 -","- C12.5 H20 Cl2 Ir N O2 -","- C100 H160 Cl16 Ir8 N8 O16 -","8","2","","Wetzel, Alexander; Wöckel, Simone; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Selective Alkylation of Amines with Alcohols by Cp*-Iridium(III) Half-Sandwich Complexes.","Organic letters","2013","15","2","266","269","10.1021/ol303075h","","","0.71073","MoKα","","0.0193","0.0169","","","0.0341","0.0347","","","","","","1.048","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508849","9.0374","0.0003","15.0633","0.0006","19.6158","0.0011","90","","90","","90","","2670.4","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 N3 O3 S -","- C29 H31 N3 O3 S -","- C116 H124 N12 O12 S4 -","4","1","","Wang, Gang; Liu, Xiaohua; Huang, Tianyu; Kuang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric catalytic 1,3-dipolar cycloaddition reaction of nitrile imines for the synthesis of chiral spiro-pyrazoline-oxindoles.","Organic letters","2013","15","1","76","79","10.1021/ol303097j","","","0.7107","MoKα","","0.0925","0.0508","","","0.0761","0.0871","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508857","8.3771","0.0001","10.29","0.0002","31.168","0.0004","90","","90","","90","","2686.69","0.07","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Cl N2 O3 -","- C32 H29 Cl N2 O3 -","- C128 H116 Cl4 N8 O12 -","4","1","","Shi, Feng; Xing, Gui-Juan; Zhu, Ren-Yi; Tan, Wei; Tu, Shujiang","A Catalytic Asymmetric Isatin-Involved Povarov Reaction: Diastereo- and Enantioselective Construction of Spiro[indolin-3,2'-quinoline] Scaffold.","Organic letters","2013","15","1","128","131","10.1021/ol303154k","","","1.54184","CuKα","","0.0336","0.0306","","","0.0882","0.0904","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508865","8.1146","0.0008","9.2164","0.0009","35.493","0.004","90","","90","","90","","2654.4","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl N3 O3 -","- C25 H24 Cl N3 O3 -","- C100 H96 Cl4 N12 O12 -","4","1","","Hong, Bor-Cherng; Liao, Wei-Kai; Dange, Nitin S.; Liao, Ju-Hsiou","One-pot organocatalytic enantioselective domino double-Michael reaction and pictet-spengler-lactamization reaction. A facile entry to the ""inside yohimbane"" system with five contiguous stereogenic centers.","Organic letters","2013","15","3","468","471","10.1021/ol3032329","","","0.71073","MoKα","","0.0646","0.0526","","","0.1434","0.1487","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508891","6.385","0.0002","8.7697","0.0002","27.5194","0.0007","90","","90","","90","","1540.94","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O -","- C18 H26 N2 O -","- C72 H104 N8 O4 -","4","1","","Huang, Sheng-Dian; Zhang, Yu; Cao, Ming-Ming; Di, Ying-Tong; Tang, Gui-Hua; Peng, Zong-Gen; Jiang, Jian-Dong; He, Hong-Ping; Hao, Xiao-Jiang","Myriberine A, a New Alkaloid with an Unprecedented Heteropentacyclic Skeleton from Myrioneuron faberi.","Organic letters","2013","15","3","590","593","10.1021/ol3034065","","","1.54178","CuKα","","0.0398","0.0395","","","0.1019","0.1028","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508892","6.214","0.0003","15.5633","0.0009","45.916","0.003","90","","90","","90","","4440.6","0.4","140","","140","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 O -","- C25 H42 O -","- C200 H336 O8 -","8","2","","Chiba, Ryota; Minami, Atsushi; Gomi, Katsuya; Oikawa, Hideaki","Identification of Ophiobolin F Synthase by a Genome Mining Approach: A Sesterterpene Synthase from Aspergillus clavatus.","Organic letters","2013","15","3","594","597","10.1021/ol303408a","","","0.71075","MoKα","","","0.0816","","","","0.2334","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508924","7.3937","0.0003","10.5911","0.0005","10.6467","0.0005","90","","90","","90","","833.72","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,3R,5R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Kumar, Manjeet; Qadri, Masroor; Sharma, Parduman Raj; Kumar, Arvind; Andotra, Samar S.; Kaur, Tandeep; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Hamid, Abid; Johri, Sarojini; Taneja, Subhash C.; Vishwakarma, Ram A.; Riyaz-Ul-Hassan, Syed; Shah, Bhahwal Ali","Tubulin Inhibitors from an Endophytic Fungus Isolated from Cedrus deodara.","Journal of natural products","2013","76","2","194","199","10.1021/np3006666","","","0.71073","MoKα","","0.0419","0.0336","","","0.0797","0.0839","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508925","8.4382","0.0013","10.6416","0.0017","23.583","0.004","90","","90","","90","","2117.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O6 S -","- C22 H30 O6 S -","- C88 H120 O24 S4 -","4","1","","Saha, Mrinmoy; Carter, Rich G.","Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine.","Organic letters","2013","15","4","736","739","10.1021/ol303272w","","","0.71073","MoKα","","0.0303","0.0288","","","0.0722","0.0732","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508926","8.0743","0.0016","10.233","0.002","20.798","0.004","90","","90","","90","","1718.4","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 S -","- C19 H24 O5 S -","- C76 H96 O20 S4 -","4","1","","Saha, Mrinmoy; Carter, Rich G.","Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine.","Organic letters","2013","15","4","736","739","10.1021/ol303272w","","","0.71073","MoKα","","0.0339","0.0322","","","0.0824","0.0839","","","","","","1.069","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508927","8.0553","0.0009","10.1921","0.0011","21.862","0.002","90","","90","","90","","1794.9","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 S -","- C19 H26 O6 S -","- C76 H104 O24 S4 -","4","1","","Saha, Mrinmoy; Carter, Rich G.","Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine.","Organic letters","2013","15","4","736","739","10.1021/ol303272w","","","0.71073","MoKα","","0.0261","0.0257","","","0.0702","0.0707","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508936","11.84571","0.00019","13.0433","0.0002","17.6965","0.0003","90","","90","","90","","2734.24","0.08","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O7 -","- C32 H34 O7 -","- C128 H136 O28 -","4","1","","Liu, Ming-Li; Duan, Ying-Hui; Hou, Yun-Long; Li, Chang; Gao, Hao; Dai, Yi; Yao, Xin-Sheng","Nardoaristolones A and B, Two Terpenoids with Unusual Skeletons from Nardostachys chinensis Batal.","Organic letters","2013","15","5","1000","1003","10.1021/ol3034466","","","1.54184","CuKα","","0.0505","0.0499","","","0.1373","0.1379","","","","","","1.068","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508937","8.06899","0.00012","9.64395","0.00014","15.6052","0.0003","90","","90","","90","","1214.35","0.03","157","2","157","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Liu, Ming-Li; Duan, Ying-Hui; Hou, Yun-Long; Li, Chang; Gao, Hao; Dai, Yi; Yao, Xin-Sheng","Nardoaristolones A and B, Two Terpenoids with Unusual Skeletons from Nardostachys chinensis Batal.","Organic letters","2013","15","5","1000","1003","10.1021/ol3034466","","","1.54184","CuKα","","0.0262","0.026","","","0.0684","0.0686","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508938","8.10822","0.00015","13.8133","0.0003","15.9269","0.0003","90","","90","","90","","1783.83","0.06","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 O3 P -","- C20 H23 O3 P -","- C80 H92 O12 P4 -","4","1","","Sawada, Takashi; Nakada, Masahisa","Enantioselective Total Synthesis of (+)-Colletoic Acid via Catalytic Asymmetric Intramolecular Cyclopropanation of an α-Diazo-β-keto Diphenylphosphine Oxide.","Organic letters","2013","15","5","1004","1007","10.1021/ol303459x","","","1.54187","CuKα","","","0.0325","","","","0.0879","","","","","","1.134","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508939","10.963","0.003","11.569","0.004","17.41","0.005","90","","90","","90","","2208.1","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H36 N2 O2 S Si -","- C17 H36 N2 O2 S Si -","- C68 H144 N8 O8 S4 Si4 -","4","1","","Cornwall, Richard G.; Zhao, Baoguo; Shi, Yian","Catalytic asymmetric synthesis of cyclic sulfamides from conjugated dienes.","Organic letters","2013","15","4","796","799","10.1021/ol303469a","","","0.71073","MoKα","","0.036","0.0312","","","0.0857","0.0892","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508955","8.0877","0.0016","8.3009","0.0017","37.117","0.007","90","","90","","90","","2491.9","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O8 -","- C25 H28 N2 O8 -","- C100 H112 N8 O32 -","4","1","","Yang, Shouliang; Xi, Yumeng; Zhu, Rong; Wang, Lin; Chen, Jiahua; Yang, Zhen","Asymmetric Total Syntheses of Ansamacrolactams (+)-Q-1047H-A-A and (+)-Q-1047H-R-A.","Organic letters","2013","15","4","812","815","10.1021/ol400038h","","","0.71073","MoKα","","0.0578","0.0545","","","0.1208","0.1227","","","","","","1.181","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508956","7.2756","0.0003","14.0819","0.0006","19.2518","0.0008","90","","90","","90","","1972.43","0.14","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C96 H72 N8 O32 -","8","2","","Tsui, Gavin Chit; Ninnemann, Nina M.; Hosotani, Akihito; Lautens, Mark","Expedient Synthesis of Chiral Oxazolidinone Scaffolds via Rhodium-Catalyzed Asymmetric Ring-Opening with Sodium Cyanate.","Organic letters","2013","15","5","1064","1067","10.1021/ol4000668","","","1.54178","CuKα","","0.0263","0.026","","","0.0657","0.066","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508968","7.3452","0.0009","9.9405","0.0013","18.551","0.002","90","","90","","90","","1354.5","0.3","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C64 H60 Br4 O8 -","4","1","","Keilitz, Juliane; Newman, Stephen G.; Lautens, Mark","Enantioselective rh-catalyzed domino transformations of alkynylcyclohexadienones with organoboron reagents.","Organic letters","2013","15","5","1148","1151","10.1021/ol400363f","","","0.71073","MoKα","","0.0282","0.0227","","","0.0374","0.0381","","","","","","0.922","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508969","5.6434","0.0002","15.4253","0.0008","26.7211","0.0007","90","","90","","90","","2326.1","0.16","260","2","260","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 F3 N2 O4 -","- C22 H32 F3 N2 O4 -","- C88 H128 F12 N8 O16 -","4","1","","Christopher R. Jones; M. Khurram N. Qureshi; Fiona R. Truscott; Shang-Te Danny Hsu; Angus J. Morrison; Martin D. Smith","A Nonpeptidic Reverse Turn that Promotes Parallel Sheet Structure Stabilized by CH...O Hydrogen Bonds in a Cyclopropane γ-Peptide","Angewandte Chemie, International Edition","2008","47","","7099","7102","10.1002/anie.200802648","","","0.71073","MoKα","","0.1032","0.0923","","","0.2589","0.2753","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1509221","11.0684","","12.3127","","5.9109","","90","","90","","90","","805.549","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ag Ba (P O3)3","","- Ag Ba O9 P3 -","- Ag Ba O9 P3 -","- Ag4 Ba4 O36 P12 -","4","1","","Aouad, H.; Tanguy, B.; Maazaz, M.; Parent, C.; Gravereau, P.; Belharouak, I.; Mesnaoui, M.; le Flem, G.","Crystal structure and luminescence properties of silver in Ag M (P O3)3 (M = Mg, Zn, Ba) polyphosphates","Journal of Solid State Chemistry","1999","145","","97","103","10.1006/jssc.1999.8227","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509253","15.3067","0.0011","17.7804","0.0012","22.6353","0.0016","90","","90","","90","","6160.4","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H48 Cd2 Cl4 N24 O18 -","- C44 H48 Cd2 Cl4 N24 O18 -","- C176 H192 Cd8 Cl16 N96 O72 -","4","1","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71073","MoKα","","0.0468","0.0431","","","0.114","0.1171","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509259","11.416","0.002","21.06","0.002","6.571","0.002","90","","90","","90","","1579.8","0.6","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-μ-Bromo-(bromo-(guanosine-N~7~) mercury(ii))","","- C10 H13 Br2 Hg N5 O5 -","- C10 Br2 Hg N5 O5 -","- C40 Br8 Hg4 N20 O20 -","4","1","","Miguel Quirós; Juan M. Salas; M. Purificación Sánchez; René Faure","Complejos de Mercurio(II) con Nucleósidos de Purina: Estructura Cristalina del Complejo Catena-(μ-bromo)bromo Guanosina Mercurio(II)","Anales de Química","1990","86","","518","523","","","","","","","","0.088","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509283","5.855","","9.09","","13.885","","90","","90","","90","","738.987","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cs (Ag Se4)","","- Ag Cs Se4 -","- Ag Cs Se4 -","- Ag4 Cs4 Se16 -","4","1","","Schimek, G.L.; Emirdag, M.; Kolis, J.W.","Synthesis and characterisation of M Ag Se4 (M = Rb, Cs)","Journal of Chemical Crystallography","1998","28","","705","711","10.1023/A:1021704302492","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509310","6.87","","13.79","","4.17","","90","","90","","90","","395.055","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Ag Er Se2 -","- Ag Er Se2 -","- Ag4 Er4 Se8 -","4","1","","Julien-Pouzol, M.; Guittard, M.","Etude cristallochimique des combinaisons ternaires argent-terre rare-soufre ou selenium, situees le long des binaires Ag2 X - L2 X3","Annales de Chimie (Paris)","1973","1973","","139","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509374","7.0747","","7.7318","","8.4753","","90","","90","","90","","463.6","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ag Hg I S -","- Ag Hg I S -","- Ag4 Hg4 I4 S4 -","4","1","","Keller, H.L.; Beck, J.; Ewald, B.; Wimbert, L.; Rompel, M.","Ueber Muenzmetall-Quecksilber-Chalkogenidhalogenide. V. Solvothermalsynthese und Kristallstruktur der Hochdruckmodifikation von Ag Hg S I","Zeitschrift fuer Anorganische und Allgemeine Chemie","2004","630","","1031","1035","10.1002/zaac.200400083","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509428","12.3","","12.3","","13.48","","90","","90","","90","","2039.39","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","K3 Ag O2","","- Ag K3 O2 -","- Ag K3 O2 -","- Ag16 K48 O32 -","16","4","","Lecart, B.; Devalette, M.; Darriet, B.","Determination de la structure cristalline de K3 Ag O2","Revue de Chimie Minerale","1977","14","","423","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509462","14.53","","14.529","","14.533","","90","","90","","90","","3068.01","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ag Mn (P O3)3","","- Ag Mn O9 P3 -","- Ag Mn O9 P3 -","- Ag16 Mn16 O144 P48 -","16","4","","Balagina, G.M.; Murashova, E.V.; Chudinova, N.N.","Synthesis and crystal structure of the binary polyphosphate Ag Mn (P O3)3","Zhurnal Neorganicheskoi Khimii","2001","46","","1427","1430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509491","7.065","","8.255","","17.41","","90","","90","","90","","1015.38","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ag Ta (P O3)2 (P2 O7)","","- Ag O13 P4 Ta -","- Ag O13 P4 Ta -","- Ag4 O52 P16 Ta4 -","4","1","","Balagina, G.M.; Chudinova, N.N.; Murashova, E.V.","Synthesis and crystal structure of silver tantalum polydiphosphate","Neorganicheskie Materialy","1998","34","","1208","1212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509493","12.8","","12.848","","14.329","","90","","90","","90","","2356.47","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Rb3 Ag O2","","- Ag O2 Rb3 -","- Ag O2 Rb3 -","- Ag16 O32 Rb48 -","16","4","","Peters, E.M.; Friese, K.; Nuss, J.; Jansen, M.; Sofin, M.","Synthesis annd crystal structure of Rb3 Ag O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","2500","2504","10.1002/1521-3749(200211)628:11<2500::AID-ZAAC2500>3.0.CO;2-L","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509517","5.809","","8.927","","13.435","","90","","90","","90","","696.698","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Rb (Ag Se4)","","- Ag Rb Se4 -","- Ag Rb Se4 -","- Ag4 Rb4 Se16 -","4","1","","Kolis, J.W.; Emirdag, M.; Schimek, G.L.","Synthesis and characterisation of M Ag Se4 (M = Rb, Cs)","Journal of Chemical Crystallography","1998","28","","705","711","10.1023/A:1021704302492","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509695","4.527","","7.108","","9.959","","90","","90","","90","","320.46","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ag2 Si O3","","- Ag2 O3 Si -","- Ag2 O3 Si -","- Ag8 O12 Si4 -","4","1","","Eysel, W.; Heidebrecht, K.; Jansen, M.; Matthes, R.","Silber(I)-catena-Polysilicat: Kristallzuechtung und Strukturanalyse","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","601","","5","11","10.1002/zaac.19916010102","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509821","6.616","0.003","8.214","0.002","33.03","0.03","90","","90","","90","","1795","1.9","298","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cu N2 O5 -","- C18 H18 Cu N2 O5 -","- C72 H72 Cu4 N8 O20 -","4","1","","Angel García-Raso; Juan J. Fiol; Ferrán Bádenas; Miguel Quirós","X-ray Diffraction Structures of Two N-Salicylidine Tryptophanato Diaquocopper(II) Complexes: Erythro and Threo Isomers","Polyhedron","1996","15","","4407","4413","10.1016/0277-5387(96)00212-4","","","0.71073","MoKα","","","0.074","","","","0.07","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509822","6.15","0.002","9.426","0.002","28.448","0.004","90","","90","","90","","1649.1","0.7","298","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cu N2 O5 -","- C18 H18 Cu N2 O5 -","- C72 H72 Cu4 N8 O20 -","4","1","","Angel García-Raso; Juan J. Fiol; Ferrán Bádenas; Miguel Quirós","X-ray Diffraction Structures of Two N-Salicylidine Tryptophanato Diaquocopper(II) Complexes: Erythro and Threo Isomers","Polyhedron","1996","15","","4407","4413","10.1016/0277-5387(96)00212-4","","","0.71073","MoKα","","","0.057","","","","0.055","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510704","4.2473","","11.056","","14.7572","","90","","90","","90","","692.971","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ba3 (B N2)2","","- B2 Ba3 N4 -","- B2 Ba3 N4 -","- B8 Ba12 N16 -","4","1","","Reckeweg, O.; DiSalvo, F.J.; Somer, M.","Orthorhombic Ba3 (B N2)2: a new structure type for an alkaline earth metal nitrido borate","Journal of Alloys Compd.","2003","361","","102","107","10.1016/S0925-8388(03)00455-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510944","8.209","","10.092","","5.382","","90","","90","","90","","445.873","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Rb (B3 O5)","","- B3 O5 Rb -","- B3 O5 Rb -","- B12 O20 Rb4 -","4","1","","Filatov, S.K.; Bubnova, R.S.; Krzhizhanovskaya, M.G.; Kabalov, Yu.K.; Sokolova, E.V.","Crystal structure of the low temperature modification alpha-(Rb B3 O5)","Kristallografiya","2000","45","","629","634","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510945","8.438","","8.719","","6.24","","90","","90","","90","","459.083","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Rb (B3 O5)","","- B3 O5 Rb -","- B3 O5 Rb -","- B12 O20 Rb4 -","4","1","","Filatov, S.K.; Bannova, I.I.; Polyakova, I.G.; Fundamenskii, V.S.; Krzhizhanovskaya, M.G.; Bubnova, R.S.","Crystal structure and thermal expansion of the high temperature modification beta-(Rb B3 O5)","Kristallografiya","1998","43","","26","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511004","9.305","","12.128","","4.9255","","90","","90","","90","","555.848","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ba Zn2 (B O3)2","","- B2 Ba O6 Zn2 -","- B2 Ba O6 Zn2 -","- B8 Ba4 O24 Zn8 -","4","1","","Smith, R.W.; Keszler, D.A.","The noncentrosymmetric orthoborate BaZn2(BO3)2","Journal of Solid State Chemistry","1992","100","","325","330","10.1016/0022-4596(92)90107-7","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511385","11.6119","","12.2963","","12.3224","","90","","90","","90","","1759.43","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Ca (H2 O)7) (B12 H12) (H2 O)","","- B12 Ca H12 O8 -","- B12 Ca H12 O8 -","- B48 Ca4 H48 O32 -","4","1","","Schleid, T.; Tiritiris, I.","Dodekahydro-closo-dodekaborate der schweren Erdalkalimetalle aus waessriger Loesung: Ca (H2 O)7 (B12 H12) * (H2 O), Sr (H2 O)8 (B12 H12) und Ba (H2 O)6 (B12 H12)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2001","627","","1836","1845","10.1002/1521-3749(200108)627:8<1836::AID-ZAAC1836>3.0.CO;2-A","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511489","9.59","","16.659","","22.919","","90","","90","","90","","3661.53","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ba5 (B O3)2 (B2 O5)","","- B4 Ba5 O11 -","- B4 Ba5 O11 -","- B48 Ba60 O132 -","12","3","","Maksimov, B.A.; Fedorov, P.P.; Molchanov, V.N.; Kononova, N.G.; Furmanova, N.G.; Kokh, A.E.","Crystal structure of the novel barium borate Ba5 (B O3)2 (B2 O5)","Kristallografiya","2006","51","","248","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511689","11.531","","12.855","","16.803","","90","","90","","90","","2490.73","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cs2 Ca (B4 O5 (O H)4)2 (H2 O)8","","- B8 Ca Cs2 H11 O26 -","- B8 Ca Cs2 H11 O26 -","- B32 Ca4 Cs8 H44 O104 -","4","1","","Xia Shuping; Yu Kaibei; Yue Tao; Zhu Lixia","Crystal structure and thermal behaviour of Cs2 Ca (B4 O5 (O H)4)2 *8(H2 O)","Journal of Alloys Compd.","2004","372","","97","102","10.1016/j.jallcom.2003.09.136","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511773","3.996","0.001","23.193","0.005","29.483","0.006","90","","90","","90","","2732.5","1.1","","","292","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","bis(Dichloro-4,7-dihydro-5-methyl-7-oxo(1,2,4)triazolo(1,5a)pyrimidine- mercury) 4,7-dihydro-5-methyl-7-oxo(1,2,4)triazolo(1,5a)pyrimidine monohydrate","","- C18 H20 Cl4 Hg2 N12 O4 -","- C18 Cl4 Hg2 N12 O4 -","- C72 Cl16 Hg8 N48 O16 -","4","1","","Juan M. Salas; Jorge A.R. Navarro; M. Angustias Romero; Miguel Quirós","Mercury(II) Complexes of 4,7-Dihydro-5-methyl-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidine. Stabilization of Two Chemically Different Metal Coordination Environments by Hydrogen Bonding Assembly","Anales de Química, International Edition","1997","93","","55","59","","","","0.71073","MoKα","","","0.118","","","","0.281","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511843","8.379","0.006","9.018","0.006","19.545","0.014","90","","90","","90","","1476.9","1.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Ma, Yan-Yan; Zhao, Deng-Gao; Gao, Kun","Structural Investigation and Biological Activity of Sesquiterpene Lactones from the Traditional Chinese HerbInula racemosa","Journal of Natural Products","2013","76","4","564","","10.1021/np300742d","","","0.71073","MoKα","","0.0625","0.0455","","","0.0908","0.0999","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511850","17.5134","0.0004","17.8594","0.0003","24.2187","0.0005","90","","90","","90","","7575.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34.375 H52.25 Cl N8 O6.25 -","- C34.375 H52.25 Cl N8 O6.25 -","- C275 H418 Cl8 N64 O50 -","8","2","","Chouhan, Gagan; James, Keith","Efficient construction of proline-containing β-turn mimetic cyclic tetrapeptides via CuAAC macrocyclization.","Organic letters","2013","15","6","1206","1209","10.1021/ol303572t","","","1.54178","CuKα","","0.0594","0.0509","","","0.124","0.1309","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511856","6.5377","0.0006","8.3477","0.0007","34.271","0.003","90","","90","","90","","1870.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Cl N2 O2 -","- C21 H22 Cl N2 O2 -","- C84 H88 Cl4 N8 O8 -","4","1","","León, Brian; Fong, Jiunn C. N.; Peach, Kelly C.; Wong, Weng Ruh; Yildiz, Fitnat H.; Linington, Roger G.","Development of quinoline-based disruptors of biofilm formation against Vibrio cholerae.","Organic letters","2013","15","6","1234","1237","10.1021/ol400150z","","","0.71073","MoKα","","0.0463","0.0382","","","0.0985","0.1047","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511872","11.3088","0.0006","15.8114","0.0008","25.101","0.001","90","","90","","90","","4488.3","0.4","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C42 H60 N6 O12 -","- C42 H57 N6 O12 -","- C168 H228 N24 O48 -","4","1","","Ramesh, Veera V. E.; Kale, Sangram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Carboxamide versus Sulfonamide in Peptide Backbone Folding: A Case Study with a Hetero Foldamer","Organic Letters","2013","15","7","1504","","10.1021/ol4002762","","","0.71073","MoKα","","0.068","0.0617","","","0.1509","0.1555","","","","","","1.114","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511873","8.7784","0.0002","15.2539","0.0003","29.9127","0.0006","90","","90","","90","","4005.46","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C36 H50 N6 O11 S2 -","- C36 H49 N6 O11 S2 -","- C144 H196 N24 O44 S8 -","4","1","","Ramesh, Veera V. E.; Kale, Sangram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Carboxamide versus Sulfonamide in Peptide Backbone Folding: A Case Study with a Hetero Foldamer","Organic Letters","2013","15","7","1504","","10.1021/ol4002762","","","0.71073","MoKα","","0.0487","0.0428","","","0.0965","0.0997","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511889","6.49546","0.00006","11.74349","0.00013","21.65156","0.00019","90","","90","","90","","1651.57","0.03","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Yin, Hong; Luo, Jian-Guang; Shan, Si-Ming; Wang, Xiao-Bing; Luo, Jun; Yang, Ming-Hua; Kong, Ling-Yi","Amomaxins A and B, Two Unprecedented Rearranged Labdane Norditerpenoids with a Nine-Membered Ring fromAmomum maximum","Organic Letters","2013","15","7","1572","","10.1021/ol400348a","","","1.54184","CuKα","","0.0316","0.0303","","","0.0804","0.0819","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511890","6.945","0.003","17.2536","0.0005","20.6291","0.001","90","","90","","90","","2471.9","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O6 S -","- C27 H26 N2 O6 S -","- C108 H104 N8 O24 S4 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Goodman, Jonathan M.; Cobb, Alexander J. A.","Organocatalytic domino reaction of cyanosulfones: access to complex cyclohexane systems with quaternary carbon centers.","Organic letters","2013","15","6","1386","1389","10.1021/ol400356k","","","1.5418","CuKα","","0.041","0.0347","","","0.0814","0.085","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511895","9.7707","0.0001","12.1601","0.0002","14.4735","0.0002","90","","90","","90","","1719.64","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","2","","Newhouse, Timothy R.; Kaib, Philip S. J.; Gross, Andrew W.; Corey, E. J.","Versatile Approaches for the Synthesis of Fused-Ring γ-Lactones Utilizing Cyclopropane Intermediates","Organic Letters","2013","15","7","1591","","10.1021/ol400362t","","","1.54178","CuKα","","0.0263","0.0258","","","0.0665","0.067","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511910","7.199","0.003","14.568","0.005","20.83","0.008","90","","90","","90","","2184.5","1.4","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Si -","- C30 H22 Si -","- C120 H88 Si4 -","4","1","","Oyama, Hiromi; Nakano, Koji; Harada, Takunori; Kuroda, Reiko; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko","Facile Synthetic Route to Highly Luminescent Sila[7]helicene","Organic Letters","2013","15","9","2104","","10.1021/ol4005036","","","1.54187","CuKα","","0.1318","0.0998","","","0.2328","0.2671","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511926","8.1747","0.0002","13.5827","0.0004","18.6882","0.0006","90","","90","","90","","2075.03","0.1","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C92 H112 O20 -","4","1","","Schwartz, Brett D.; Matoušová, Eliška; White, Richard; Banwell, Martin G.; Willis, Anthony C.","A chemoenzymatic total synthesis of the protoilludane aryl ester (+)-armillarivin.","Organic letters","2013","15","8","1934","1937","10.1021/ol400583c","","","0.71073","MoKα","","0.0489","0.0403","","0.1024","0.0984","0.1024","","","","","","1.0115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511932","7.7284","0.0001","13.4661","0.0003","20.7179","0.0014","90","","90","","90","","2156.14","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C84 H96 N8 O24 S4 -","4","1","","Cheng, Tao; Meng, Sixuan; Huang, Yong","A Highly Diastereoselective and Enantioselective Synthesis of Polysubstituted Pyrrolidines via an Organocatalytic Dynamic Kinetic Resolution Cascade.","Organic letters","2013","15","8","1958","1961","10.1021/ol4006129","","","1.54187","CuKα","","0.0385","0.0335","","","0.0835","0.0888","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511947","9.1499","0.0008","14.4705","0.0013","18.7607","0.0017","90","","90","","90","","2484","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C108 H132 N12 O20 -","4","1","","Cai, Shengxin; Luan, Yepeng; Kong, Xianglan; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Isolation and Photoinduced Conversion of 6-epi-Stephacidins fromAspergillus taichungensis","Organic Letters","2013","15","9","2168","","10.1021/ol400694h","","","0.71073","MoKα","","0.0614","0.037","","","0.0656","0.0708","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511960","9.681","0.0002","12.7183","0.0002","19.2223","0.0004","90","","90","","90","","2366.76","0.08","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Br N2 O5 -","- C25 H27 Br N2 O5 -","- C100 H108 Br4 N8 O20 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Lorkin, Thomas J. A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of (-)-martinellic Acid.","Organic letters","2013","15","8","2050","2053","10.1021/ol4007508","","","0.71073","MoKα","","0.0468","0.0339","","0.0763","0.066","0.0763","","","","","","0.9336","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511961","6.8274","0.0001","11.2253","0.0002","27.9028","0.0005","90","","90","","90","","2138.46","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br N2 O4 -","- C23 H25 Br N2 O4 -","- C92 H100 Br4 N8 O16 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Lorkin, Thomas J. A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of (-)-martinellic Acid.","Organic letters","2013","15","8","2050","2053","10.1021/ol4007508","","","0.71073","MoKα","","0.0471","0.038","","0.0822","0.0766","0.0822","","","","","","0.9119","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511971","10.2524","0.001","13.6597","0.0014","17.1559","0.0018","90","","90","","90","","2402.6","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl N O5 S -","- C25 H24 Cl N O5 S -","- C100 H96 Cl4 N4 O20 S4 -","4","1","","Liu, Kang; Teng, Huai-Long; Yao, Lu; Tao, Hai-Yan; Wang, Chun-Jiang","Silver-Catalyzed Enantioselective Desymmetrization: Facile Access to Spirolactone-Pyrrolidines Containing a Spiro Quaternary Stereogenic Center","Organic Letters","2013","15","9","2250","","10.1021/ol400821q","","","0.71073","MoKα","","0.0521","0.0359","","","0.0957","0.1036","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512021","13.834","0.002","15.388","0.002","39.08","0.005","90","","90","","90","","8319.3","1.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C76 H128 N6 O4 Si4 Tm2 -","- C76 H128 N6 O4 Si4 Tm2 -","- C304 H512 N24 O16 Si16 Tm8 -","4","1","","Liu, Hui; He, Jianyun; Liu, Zhanxiong; Lin, Zhengguo; Du, Gaixia; Zhang, Shaowen; Li, Xiaofang","Quasi-Living trans-1,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Bearing a Chiral (S,S)-Bis(oxazolinylphenyl)amido Ligand","Macromolecules","2013","46","9","3257","","10.1021/ma4005549","","","0.71073","MoKα","","0.1066","0.0606","","","0.1224","0.1598","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512024","7.3486","0.0004","15.0738","0.0007","16.674","0.0008","90","","90","","90","","1847","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leuconodine A","","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","1","","Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.","Journal of natural products","2013","76","5","957","964","10.1021/np400214y","","","0.71073","MoKα","","0.1133","0.0512","","","0.1044","0.1263","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512025","8.0382","0.0005","14.5281","0.0009","15.2187","0.0008","90","","90","","90","","1777.24","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leuconodine B (scholarisine G)","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.","Journal of natural products","2013","76","5","957","964","10.1021/np400214y","","","0.71073","MoKα","","0.0801","0.0491","","","0.0988","0.1091","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512026","8.1326","0.0007","10.6116","0.0009","18.2366","0.0017","90","","90","","90","","1573.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","leuconodine E","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.","Journal of natural products","2013","76","5","957","964","10.1021/np400214y","","","0.71073","MoKα","","0.0654","0.0403","","","0.0858","0.0966","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512027","6.9763","0.0005","13.1038","0.001","17.5908","0.0013","90","","90","","90","","1608.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Cl N O -","- C16 H28 Cl N O -","- C64 H112 Cl4 N4 O4 -","4","1","","Dalton, Derek M.; Rovis, Tomislav","Catalytic, Asymmetric Indolizidinone Aza-Quaternary Stereocenter Synthesis: Expedient Synthesis of the Cylindricine Alkaloid Core","Organic Letters","2013","15","10","2346","","10.1021/ol400529k","","","0.71073","MoKα","","0","0.0599","","","0.1535","0.1661","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512028","5.61159","0.0001","11.5643","0.0003","24.3578","0.0004","90","","90","","90","","1580.68","0.06","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N2 O3 S -","- C13 H11 Br N2 O3 S -","- C52 H44 Br4 N8 O12 S4 -","4","1","","Simpson, Alain J.; Lam, Hon Wai","Enantioselective nickel-catalyzed Michael additions of 2-acetylazaarenes to nitroalkenes.","Organic letters","2013","15","11","2586","2589","10.1021/ol400578c","","","0.71073","MoKα","","0.0401","0.0305","","","0.0713","0.0744","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512047","10.096","0.002","11.421","0.003","20.313","0.004","90","","90","","90","","2342.2","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O2 S -","- C28 H25 N O2 S -","- C112 H100 N4 O8 S4 -","4","1","","Wang, Shaoyin; Chai, Zhuo; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Wei, Yun","A Novel Lewis Acid Catalyzed [3 + 3]-Annulation Strategy for the Syntheses of Tetrahydro-β-Carbolines and Tetrahydroisoquinolines.","Organic letters","2013","15","11","2628","2631","10.1021/ol4008525","","","0.71073","MoKα","","0.0357","0.0323","","","0.0827","0.0859","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512052","6.42235","0.00012","10.7946","0.0002","24.6088","0.0005","90","","90","","90","","1706.05","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","","Takechi, Sho; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α-Sulfanyl Lactones.","Organic letters","2013","15","11","2632","2635","10.1021/ol4008734","","","1.54187","CuKα","","","0.0309","","","","0.084","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512054","4.546","0.002","12.028","0.005","25.78","0.01","90","","90","","90","","1409.6","1","123.2","","123.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","Sakai, Takahiro; Soeta, Takahiro; Endo, Kohei; Fujinami, Shuhei; Ukaji, Yutaka","Magnesium‒Tartramide Complex Mediated Asymmetric Strecker-Type Reaction of Nitrones Using Cyanohydrin","Organic Letters","2013","15","10","2422","","10.1021/ol400898p","","","0.7107","MoKα","","","0.0615","","","","0.0796","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512074","10.0452","0.0016","10.5711","0.0017","20.709","0.003","90","","90","","90","","2199.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 I N2 O2 P -","- C22 H22 I N2 O2 P -","- C88 H88 I4 N8 O8 P4 -","4","1","","Casimiro, María; Roces, Laura; García-Granda, Santiago; Iglesias, María José; López Ortiz, Fernando","DirectedOrtho-Lithiation of Aminophosphazenes: An Efficient Route to the Stereoselective Synthesis ofP-Chiral Compounds","Organic Letters","2013","15","10","2378","","10.1021/ol400971q","","","0.71073","MoKα","","0.0449","0.0342","","","0.0496","0.0514","","","","","","0.762","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512075","6.2139","0.0007","15.0497","0.0017","26.986","0.003","90","","90","","90","","2523.7","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","12226a","","","- C27 H30 N2 O3 S2 -","- C27 H30 N2 O3 S2 -","- C108 H120 N8 O12 S8 -","4","1","","Wang, Xiao-Na; Hsung, Richard P.; Qi, Rui; Fox, Sierra K.; Lv, Ming-Can","A Highly Stereoselective Addition of Lithiated Ynamides to Ellman‒Davis ChiralN-tert-Butanesulfinyl Imines","Organic Letters","2013","15","10","2514","","10.1021/ol400989x","","","0.71073","MoKα","","0.0617","0.044","","","0.0892","0.0972","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512076","5.9941","0.0007","15.9821","0.0019","16.971","0.002","90","","90","","90","","1625.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","13013a","","","- C16 H20 N2 O3 S -","- C16 H20 N2 O3 S -","- C64 H80 N8 O12 S4 -","4","1","","Wang, Xiao-Na; Hsung, Richard P.; Qi, Rui; Fox, Sierra K.; Lv, Ming-Can","A Highly Stereoselective Addition of Lithiated Ynamides to Ellman‒Davis ChiralN-tert-Butanesulfinyl Imines","Organic Letters","2013","15","10","2514","","10.1021/ol400989x","","","0.71073","MoKα","","0.0541","0.0407","","","0.0861","0.0922","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512077","6.1458","0.0008","16.246","0.002","20.503","0.003","90","","90","","90","","2047.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","13045b","","","- C22 H24 N2 O3 S -","- C22 H24 N2 O3 S -","- C88 H96 N8 O12 S4 -","4","1","","Wang, Xiao-Na; Hsung, Richard P.; Qi, Rui; Fox, Sierra K.; Lv, Ming-Can","A Highly Stereoselective Addition of Lithiated Ynamides to Ellman‒Davis ChiralN-tert-Butanesulfinyl Imines","Organic Letters","2013","15","10","2514","","10.1021/ol400989x","","","1.54178","CuKα","","0.0516","0.0372","","","0.0769","0.0865","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512087","6.0852","0.0002","11.7873","0.0004","35.4794","0.0012","90","","90","","90","","2544.87","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C104 H160 O24 -","8","2","","Alam, Rauful; Raducan, Mihai,; Eriksson, Lars; Szabó, Kálmán J.","Selective Formation of Adjacent Stereocenters by Allylboration of Ketones under Mild Neutral Conditions","Organic Letters","2013","15","10","2546","","10.1021/ol401055m","","","0.71073","MoKα","","0.0547","0.0528","","","0.1277","0.1287","","","","","","1.24","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512135","3.8226","0.001","8.471","0.002","31.554","0.008","90","","90","","90","","1021.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cisdithiophenecyclopentadinitrile","7-dicyanomethylene-7H-cyclopenta-[1,2-b:4,3-b']dithiophene","","- C12 H4 N2 S2 -","- C12 H4 N2 S2 -","- C48 H16 N8 S8 -","4","1","","Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran","Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes","The Journal of Physical Chemistry C","2013","117","33","16759","","10.1021/jp4033029","","","0.71073","MoKα","","0.0368","0.0354","","","0.0896","0.0905","","","","","","0.922","","","","has coordinates","264555","2021-04-26","21:21:43",""
"1512136","3.8268","0.0003","14.7465","0.0012","17.3489","0.0014","90","","90","","90","","979.03","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Transdithiophenecyclopentadinitrile","4-dicyanomethylene-4H-cyclopenta[2,1-b:3,4-b']dithiophene","","- C12 H4 N2 S2 -","- C12 H4 N2 S2 -","- C48 H16 N8 S8 -","4","1","","Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran","Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes","The Journal of Physical Chemistry C","2013","117","33","16759","","10.1021/jp4033029","","","0.71073","MoKα","","0.0232","0.022","","","0.0584","0.0593","","","","","","1.034","","","","has coordinates","264555","2021-04-26","21:21:44",""
"1512142","6.617","0.0003","19.6403","0.001","20.1853","0.0009","90","","90","","90","","2623.3","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O5 -","- C30 H35 N O5 -","- C120 H140 N4 O20 -","4","1","","Childs, Scott L.; Kandi, Praveen; Lingireddy, Sreenivas Reddy","Formulation of a danazol cocrystal with controlled supersaturation plays an essential role in improving bioavailability.","Molecular pharmaceutics","2013","10","8","3112","3127","10.1021/mp400176y","","","1.54178","CuKα","","0.0409","0.0384","","","0.0996","0.1016","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512146","8.0315","0.0002","10.532","0.0002","15.8116","0.0003","90","","90","","90","","1337.47","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C52 H88 O16 -","4","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.04","0.0386","","","0.1","0.1022","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512148","8.6241","0.0002","9.7034","0.0002","15.9697","0.0003","90","","90","","90","","1336.39","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 O3 -","- C13 H24 O3 -","- C52 H96 O12 -","4","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.0301","0.0299","","","0.0858","0.0861","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512160","8.1683","0.0002","12.8017","0.0004","26.8302","0.0008","90","","90","","90","","2805.58","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 N O2 S -","- C30 H45 N O2 S -","- C120 H180 N4 O8 S4 -","4","1","","Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming","Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.","Journal of natural products","2013","76","7","1328","1336","10.1021/np400304q","","","1.54178","CuKα","","0.0456","0.0427","","","0.1183","0.122","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512161","8.1634","0.0005","12.7824","0.0008","26.7737","0.0017","90","","90","","90","","2793.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 N O2 S -","- C30 H46 N O2 S -","- C120 H184 N4 O8 S4 -","4","1","","Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming","Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.","Journal of natural products","2013","76","7","1328","1336","10.1021/np400304q","","","0.71073","MoKα","","0.105","0.0539","","","0.1073","0.1253","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512162","13.1252","0.0004","13.5105","0.0004","17.3945","0.0005","90","","90","","90","","3084.53","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C136 H160 O48 -","8","2","","Yin, Xia; Feng, Tao; Li, Zheng-Hui; Dong, Ze-Jun; Li, Yan; Liu, Ji Kai","Highly Oxygenated Meroterpenoids from Fruiting Bodies of the Mushroom Tricholoma terreum.","Journal of natural products","2013","76","7","1365","1368","10.1021/np400359y","","","1.54178","CuKα","","0.0353","0.0352","","","0.0966","0.0967","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512163","12.9578","0.0003","13.5937","0.0003","17.1115","0.0004","90","","90","","90","","3014.1","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C136 H160 O40 -","8","2","","Yin, Xia; Feng, Tao; Li, Zheng-Hui; Dong, Ze-Jun; Li, Yan; Liu, Ji Kai","Highly Oxygenated Meroterpenoids from Fruiting Bodies of the Mushroom Tricholoma terreum.","Journal of natural products","2013","76","7","1365","1368","10.1021/np400359y","","","1.54178","CuKα","","0.0915","0.0891","","","0.2688","0.273","","","","","","1.267","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512165","18.747","0.003","20.288","0.002","10.5886","0.0017","90","","90","","90","","4027.3","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 Cl3 N O9 -","- C36 H52 Cl3 N O9 -","- C144 H208 Cl12 N4 O36 -","4","1","","Kim, Youngju; In, Yasuko; Ishida, Toshimasa; Onaka, Hiroyasu; Igarashi, Yasuhiro","Biosynthetic Origin of Alchivemycin A, a New Polyketide fromStreptomycesand Absolute Configuration of Alchivemycin B","Organic Letters","2013","15","14","3514","","10.1021/ol401071j","","","1.5418","CuKα","","0.1713","0.1065","","","0.2675","0.2891","","","","","","1.188","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512172","7.8362","0.0006","10.7459","0.0008","18.6308","0.0013","90","","90","","90","","1568.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C68 H108 N4 O16 -","4","1","","Dong, Liao-Bin; Gao, Xiu; Liu, Fei; He, Juan; Wu, Xing-De; Li, Yan; Zhao, Qin-Shi","Isopalhinine A, a Unique PentacyclicLycopodiumAlkaloid fromPalhinhaea cernua","Organic Letters","2013","15","14","3570","","10.1021/ol401411m","","","0.71073","MoKα","","0.0324","0.0303","","","0.0789","0.0804","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512176","5.848","0.0002","11.0146","0.0003","29.0584","0.001","90","","90","","90","","1871.75","0.1","106.6","0.3","106.6","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 I N O3 -","- C19 H22 I N O3 -","- C76 H88 I4 N4 O12 -","4","1","","Yang, Wenqiang; Long, Yan; Zhang, Shasha; Zeng, Youlin; Cai, Qian","Copper-catalyzed enantioselective intramolecular N-arylation, an efficient method for kinetic resolutions.","Organic letters","2013","15","14","3598","3601","10.1021/ol401449b","","","1.5418","CuKα","","0.0398","0.0363","","","0.0891","0.0925","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512185","12.8289","0.0011","13.0818","0.0012","22.538","0.002","90","","90","","90","","3782.4","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 B Cl2 F4 O3 P2 Rh -","- C42 H36 B Cl2 F4 O3 P2 Rh -","- C168 H144 B4 Cl8 F16 O12 P8 Rh4 -","4","1","","Fernández-Pérez, Héctor; Benet-Buchholz, J; Vidal-Ferran, Anton","Small Bite-Angle P-OP Ligands for Asymmetric Hydroformylation and Hydrogenation.","Organic letters","2013","15","14","3634","3637","10.1021/ol401494x","","","0.71073","MoKα","","0.0576","0.0424","","","0.1035","0.1129","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512186","10.657","0.0012","16.6458","0.0019","22.554","0.003","90","","90","","90","","4001","0.8","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 B Cl2 F4 O3 P2 Rh -","- C42 H36 B Cl2 F4 O3 P2 Rh -","- C168 H144 B4 Cl8 F16 O12 P8 Rh4 -","4","1","","Fernández-Pérez, Héctor; Benet-Buchholz, J; Vidal-Ferran, Anton","Small Bite-Angle P-OP Ligands for Asymmetric Hydroformylation and Hydrogenation.","Organic letters","2013","15","14","3634","3637","10.1021/ol401494x","","","0.71073","MoKα","","0.0794","0.0739","","","0.207","0.2131","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512190","11.7377","0.0002","15.1357","0.0003","16.2481","0.0003","90","","90","","90","","2886.61","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cl P2 Pd -","- C34 H31 Cl P2 Pd -","- C136 H124 Cl4 P8 Pd4 -","4","1","","Ding, Boqiang; Zhang, Zhenfeng; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","Chemoselective Transfer Hydrogenation of α,β-Unsaturated Ketones Catalyzed by Pincer-Pd Complexes Using Alcohol as a Hydrogen Source","Organic Letters","2013","15","14","3690","","10.1021/ol401560q","","","0.71073","MoKα","","0.0366","0.0286","","","0.0579","0.0689","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512194","11.627","0.002","12.127","0.002","14.846","0.003","90","","90","","90","","2093.3","0.7","263","","263","","","","","","","","Chemical Synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O6 -","- C23 H30 O6 -","- C92 H120 O24 -","4","1","","Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Wild, Christopher; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","Overcoming Synthetic Challenges of Oridonin A-Ring Structural Diversification: Regio- and Stereoselective Installation of Azides and 1,2,3-Triazoles at the C-1, C-2, or C-3 Position","Organic Letters","2013","15","14","3718","","10.1021/ol4015865","","","1.5418","CuKα","","0.0408","0.039","","0.1006","0.0986","0.1006","","","","","","0.9072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512199","9.679","0.0007","11.8883","0.0008","22.4824","0.0016","90","","90","","90","","2587","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 N2 O7 S -","- C26 H22 Cl2 N2 O7 S -","- C104 H88 Cl8 N8 O28 S4 -","4","1","","Zhang, Yong-Qiang; Yuan, Yong-An; Liu, Guan-Sai; Xu, Hao","Iron(II)-Catalyzed Asymmetric Intramolecular Aminohydroxylation of Indoles.","Organic letters","2013","15","15","3910","3913","10.1021/ol401666e","","","0.71073","MoKα","","0.0572","0.0482","","","0.1153","0.1218","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512200","9.622","0.0013","18.082","0.002","19.975","0.003","90","","90","","90","","3475.4","0.8","172.3","","172.3","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 Cl5 N3 O7 S -","- C33 H26 Cl5 N3 O7 S -","- C132 H104 Cl20 N12 O28 S4 -","4","1","","Zhang, Yong-Qiang; Yuan, Yong-An; Liu, Guan-Sai; Xu, Hao","Iron(II)-Catalyzed Asymmetric Intramolecular Aminohydroxylation of Indoles.","Organic letters","2013","15","15","3910","3913","10.1021/ol401666e","","","0.71073","MoKα","","0.0706","0.0561","","","0.1352","0.1451","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512233","7.8181","0.0007","12.6128","0.001","21.2217","0.0018","90","","90","","90","","2092.6","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N3 O -","- C22 H35 N3 O -","- C88 H140 N12 O4 -","4","1","","Ramirez, Thomas A.; Wang, Qian; Zhu, Yingguang; Zheng, Huaiji; Peng, Xingao; Cornwall, Richard G.; Shi, Yian","Pd(0)-Catalyzed Sequential C-N Bond Formation via Allylic and Aromatic C-H Amination of α-Methylstyrenes with Diaziridinone.","Organic letters","2013","15","16","4210","4213","10.1021/ol401935c","","","0.71073","MoKα","","0.0435","0.0336","","","0.0787","0.0838","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512241","8.1965","0.0016","14.197","0.003","21.934","0.004","90","","90","","90","","2552.4","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 N O11 -","- C30 H25 N O11 -","- C120 H100 N4 O44 -","4","1","","Liu, Ling-Li; He, Li-Sheng; Xu, Ying; Han, Zhuang; Li, Yong-Xin; Zhong, Jia-Liang; Guo, Xian-Rong; Zhang, Xi-Xiang; Ko, Kam Ming; Qian, Pei-Yuan","Caspase-3-Dependent Apoptosis of Citreamicin ε-Induced HeLa Cells Is Associated with Reactive Oxygen Species Generation","Chemical Research in Toxicology","2013","26","7","1055","","10.1021/tx4000304","","","1.54178","CuKα","","0.0815","0.0471","","","0.1106","0.1308","","","","","","1.006","","","","has coordinates","287926","2023-12-01","07:54:24",""
"1512243","8.1709","0.0005","8.5167","0.0005","14.6277","0.0009","90","","90","","90","","1017.93","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 O5 -","- C9 H14 N2 O5 -","- C36 H56 N8 O20 -","4","1","","de la Fuente, Alex; Martin, Ruben; Mena-Barragán, Teresa; Verdaguer, Xavier; García Fernández, José M.; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective Synthesis of 2-Acetamido-1,2-dideoxyallonojirimycin (DAJNAc), a New Potent Hexosaminidase Inhibitor","Organic Letters","2013","15","14","3638","","10.1021/ol401517x","","","0.71073","MoKα","","0.033","0.0323","","","0.0859","0.0865","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512244","9.0351","0.0005","9.8044","0.0005","11.3371","0.0006","90","","90","","90","","1004.28","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 O5 -","- C9 H14 N2 O5 -","- C36 H56 N8 O20 -","4","1","","de la Fuente, Alex; Martin, Ruben; Mena-Barragán, Teresa; Verdaguer, Xavier; García Fernández, José M.; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective Synthesis of 2-Acetamido-1,2-dideoxyallonojirimycin (DAJNAc), a New Potent Hexosaminidase Inhibitor","Organic Letters","2013","15","14","3638","","10.1021/ol401517x","","","0.71073","MoKα","","0.0262","0.0257","","","0.0684","0.0689","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512263","16.1483","0.0011","18.7091","0.0012","18.8204","0.0012","90","","90","","90","","5686","0.6","","","","","","","","","","","hexane,aceticacid","5","P 21 21 21","P 2ac 2ab","19","","Title","","- C23 H38 N4 O7 S2 -","- C23 H38 N4 O7 S2 -","- C184 H304 N32 O56 S16 -","8","2","","Li, Fee; Bravo-Rodriguez, Kenny; Fernandez-Oliva, Miguel; Ramirez-Anguita, Juan M.; Merz, Klaus; Winter, Manuela; Lehmann, Christian W.; Sander, Wolfram; Sanchez-Garcia, Elsa","Stereochemistry Rules: A Single Stereocenter Changes the Conformation of a Cyclic Tetrapeptide","The Journal of Physical Chemistry B","2013","117","37","10785","","10.1021/jp406497r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512267","8.2715","0.0009","10.4269","0.0014","19.179","0.0018","90","","90","","90","","1654.1","0.3","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C24 H14 -","- C24 H14 -","- C96 H56 -","4","1","","Mondal, Snehasish; Chakraborty, Sourav; Bhowmick, Sourav; Das, Neeladri","Synthesis of Triptycene-Based Organosoluble, Thermally Stable, and Fluorescent Polymers: Efficient Host‒Guest Complexation with Fullerene","Macromolecules","2013","46","17","6824","","10.1021/ma401421k","","","1.54184","CuKα","","0.0401","0.037","","","0.0981","0.1017","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512268","6.0854","0.0001","13.6015","0.0002","22.6317","0.0003","90","","90","","90","","1873.24","0.05","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Li, De-Zheng; Tang, Chunping; Quinn, Ronald J.; Feng, Yunjiang; Ke, Chang-Qiang; Yao, Sheng; Ye, Yang","ent-Labdane Diterpenes from the Stems of Mallotus japonicus.","Journal of natural products","2013","76","9","1580","1585","10.1021/np400241p","","","1.54178","CuKα","","0.0471","0.0448","","","0.1299","0.1327","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512270","4.619","0.004","11.969","0.009","29.55","0.02","90","","90","","90","","1634","2","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic total synthesis of the phytotoxic geranylcyclohexentriol (-)-phomentrioloxin.","Journal of natural products","2013","76","8","1514","1518","10.1021/np4002866","","","0.71073","MoKα","","0.195","0.1214","","0.2917","0.2353","0.2917","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512272","12.2253","0.0002","16.6218","0.0002","18.6036","0.0003","90","","90","","90","","3780.37","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 O7 -","- C40 H62 O7 -","- C160 H248 O28 -","4","1","","Liu, Xia; Yang, Xing-Wei; Chen, Chao-Qun; Wu, Chun-Yan; Zhang, Jing-Jing; Ma, Jun-Zeng; Wang, Huan; Yang, Li-Xin; Xu, Gang","Bioactive Polyprenylated Acylphloroglucinol Derivatives from Hypericum cohaerens.","Journal of natural products","2013","76","9","1612","1618","10.1021/np400287r","","","1.54178","CuKα","","0.0423","0.0385","","","0.1019","0.1053","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512273","7.9551","0.0002","11.0331","0.0003","21.0769","0.0008","90","","90","","90","","1849.91","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Liu, Na; Li, Rui-Juan; Wang, Xiao-Ning; Zhu, Rong-Xiu; Wang, Lei; Lin, Zhao-Min; Zhao, Yu; Lou, Hong-Xiang","Highly Oxygenated ent-Pimarane-Type Diterpenoids from the Chinese Liverwort Pedinophyllum interruptum and Their Allelopathic Activities.","Journal of natural products","2013","76","9","1647","1653","10.1021/np4003178","","","0.71069","MoKα","","0.1006","0.0544","","","0.135","0.1625","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512274","8.9471","0.0005","19.6621","0.0008","20.863","0.0008","90","","90","","90","","3670.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","2","","Liu, Na; Li, Rui-Juan; Wang, Xiao-Ning; Zhu, Rong-Xiu; Wang, Lei; Lin, Zhao-Min; Zhao, Yu; Lou, Hong-Xiang","Highly Oxygenated ent-Pimarane-Type Diterpenoids from the Chinese Liverwort Pedinophyllum interruptum and Their Allelopathic Activities.","Journal of natural products","2013","76","9","1647","1653","10.1021/np4003178","","","0.71069","MoKα","","0.1714","0.0769","","","0.192","0.2431","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512275","10.1613","0.0019","12.298","0.002","20.717","0.004","90","","90","","90","","2588.9","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O5 -","- C30 H46 O5 -","- C120 H184 O20 -","4","1","","Moridi Farimani, Mahdi; Nejad Ebrahimi, Samad; Salehi, Peyman; Bahadori, Mir Babak; Sonboli, Ali; Khavasi, Hamid Reza; Zimmermann, Stefanie; Kaiser, Marcel; Hamburger, Matthias","Antitrypanosomal Triterpenoid with an ε-Lactone E-Ring from Salvia urmiensis.","Journal of natural products","2013","76","9","1806","1809","10.1021/np400337a","","","0.71073","MoKα","","0.0913","0.0561","","","0.1122","0.125","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512277","8.9991","0.0001","10.3062","0.0002","30.5548","0.0005","90","","90","","90","","2833.85","0.08","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O12 -","- C29 H46 O12 -","- C116 H184 O48 -","4","1","","Liu, Qian; Tang, Jin-Shan; Hu, Meng-Jie; Liu, Jie; Chen, Hai-Feng; Gao, Hao; Wang, Guang-Hui; Li, Shun-Lin; Hao, Xiao-Jiang; Zhang, Xiao-Kun; Yao, Xin-Sheng","Antiproliferative Cardiac Glycosides from the Latex of Antiaris toxicaria.","Journal of natural products","2013","76","9","1771","1780","10.1021/np4005147","","","1.5418","CuKα","","0.0385","0.0369","","","0.1029","0.1044","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512279","8.495","","14.253","","39.77","","90","","90","","90","","4815.32","","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 F6 N3 O5 -","- C25 H21 F6 N3 O5 -","- C200 H168 F48 N24 O40 -","8","2","","Zhao, Ji-Chen; Yu, Shun-Ming; Liu, Yun; Yao, Zhu-Jun","Biomimetic Synthesis of ent-(-)-Azonazine and Stereochemical Reassignment of Natural Product.","Organic letters","2013","15","17","4300","4303","10.1021/ol4015706","","","1.54178","CuKα","","0.0562","0.0487","","","0.1353","0.1434","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512282","11.0236","0.0002","12.9544","0.0002","13.4366","0.0002","90","","90","","90","","1918.8","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br Cl3 N2 O -","- C17 H18 Br Cl3 N2 O -","- C68 H72 Br4 Cl12 N8 O4 -","4","1","","Gregory, Alex W.; Jakubec, Pavol; Turner, Paul; Dixon, Darren J.","Gold and BINOL-Phosphoric Acid Catalyzed Enantioselective Hydroamination/N-Sulfonyliminium Cyclization Cascade.","Organic letters","2013","15","17","4330","4333","10.1021/ol401784h","","","0.71073","MoKα","","0.0374","0.0341","","0.0832","0.0808","0.0832","","","","","","1.0001","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512284","12.7926","0.0003","18.5331","0.0006","29.8781","0.001","90","","90","","90","","7083.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 N5 O2 S -","- C35 H33.5 N5 O2 S -","- C280 H268 N40 O16 S8 -","8","2","","Yang, Zheng; Hao, Likai; Yin, Bing; She, Mengyao; Obst, Martin; Kappler, Andreas; Li, Jianli","Six-Membered Spirocycle Triggered Probe for Visualizing Hg(2+) in Living Cells and Bacteria-EPS-Mineral Aggregates.","Organic letters","2013","15","17","4334","4337","10.1021/ol401795m","","","1.54178","CuKα","","0.0877","0.0705","","","0.1985","0.2134","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512294","10.4878","0.0009","13.5652","0.0012","18.2721","0.0015","90","","90","","90","","2599.6","0.4","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O6 S -","- C28 H29 N O6 S -","- C112 H116 N4 O24 S4 -","4","1","","Konno, Takashi; Watanabe, Sayo; Takahashi, Tatsuki; Tokoro, Yuichiro; Fukuzawa, Shin-Ichi","Silver/ThioClickFerrophos Complex as an Effective Catalyst for Asymmetric Conjugate Addition of Glycine Imino Ester to Unsaturated Malonates and α-Enones.","Organic letters","2013","15","17","4418","4421","10.1021/ol4019584","","","0.71075","MoKα","","","0.0552","","","","0.175","","","","","","0.834","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512333","6.7462","0.0002","9.3007","0.0003","32.0517","0.0009","90","","90","","90","","2011.06","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tabertinggine","","","- C20 H23 Cl3 N2 O2 -","- C20 H23 Cl3 N2 O2 -","- C80 H92 Cl12 N8 O8 -","4","1","","Nge, Choy-Eng; Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Voatinggine and Tabertinggine, Pentacyclic Indole Alkaloids Derived from an Iboga Precursor via a Common Cleavamine-Type Intermediate","Organic Letters","2013","15","18","4774","","10.1021/ol4021404","","","0.71073","MoKα","","0.0945","0.0588","","","0.1092","0.1228","","","","","","0.951","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512340","12.1342","0.0007","12.8992","0.0007","22.5938","0.0013","90","","90","","90","","3536.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 N O8 Se -","- C36 H51 N O8 Se -","- C144 H204 N4 O32 Se4 -","4","1","","Gui, Jinghan; Tian, Hailong; Tian, Weisheng","Synthesis of glaucogenin d, a structurally unique disecopregnane steroid with potential antiviral activity.","Organic letters","2013","15","18","4802","4805","10.1021/ol402193b","","","0.71073","MoKα","","0.0678","0.0506","","","0.1226","0.1318","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512344","8.9371","0.0012","12.7168","0.0017","20.942","0.003","90","","90","","90","","2380.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F N O3 -","- C12 H12 F N O3 -","- C96 H96 F8 N8 O24 -","8","2","","Gou, Quan; Deng, Bin; Zhang, Hongbin; Qin, Jun","Arylations of Substituted Enamides by Aryl Iodides: Regio- and Stereoselective Synthesis of (Z)-β-Amido-β-Arylacrylates.","Organic letters","2013","15","17","4604","4607","10.1021/ol402215f","","","0.71073","MoKα","","0.0913","0.047","","","0.1038","0.1264","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512347","8.7711","0.0003","11.3886","0.0003","20.3871","0.0006","90","","90","","90","","2036.48","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","13113a","","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C104 H108 N4 O12 -","4","1","","Fang, Li-Chao; Hsung, Richard P.; Ma, Zhi-Xiong; Presser, William R.","A Highly Stereoselective Diels‒Alder Cycloaddition of Enones with Chiral Cyclic 2-Amidodienes Derived from Allenamides","Organic Letters","2013","15","18","4842","","10.1021/ol402254p","","","1.54178","CuKα","","0.0267","0.0255","","","0.0623","0.063","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512378","8.0497","0.0004","15.5432","0.0008","21.3767","0.0011","90","","90","","90","","2674.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O11 -","- C29 H32 O11 -","- C116 H128 O44 -","4","1","","Shi, Yi-Ming; Wang, Xin-Bo; Li, Xiao-Nian; Luo, Xiao; Shen, Zi-Ying; Wang, Yi-Ping; Xiao, Wei-Lie; Sun, Han-Dong","Lancolides, Antiplatelet Aggregation Nortriterpenoids with Tricyclo[6.3.0.0(2,11)]undecane-Bridged System from Schisandra lancifolia.","Organic letters","2013","15","19","5068","5071","10.1021/ol402414z","","","1.54178","CuKα","","0.0366","0.0366","","","0.092","0.092","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512381","9.3094","0.0002","17.5159","0.0003","18.8567","0.0003","90","","90","","90","","3074.82","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O12 -","- C31 H46 O12 -","- C124 H184 O48 -","4","1","","Shi, Yi-Ming; Wang, Xin-Bo; Li, Xiao-Nian; Luo, Xiao; Shen, Zi-Ying; Wang, Yi-Ping; Xiao, Wei-Lie; Sun, Han-Dong","Lancolides, Antiplatelet Aggregation Nortriterpenoids with Tricyclo[6.3.0.0(2,11)]undecane-Bridged System from Schisandra lancifolia.","Organic letters","2013","15","19","5068","5071","10.1021/ol402414z","","","1.54178","CuKα","","0.0398","0.0393","","","0.1033","0.1037","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512385","7.3794","0.001","12.184","0.0016","21.074","0.003","90","","90","","90","","1894.8","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Liu, Ya-Ping; Lai, Ren; Yao, Yong-Gang; Zhang, Zhong-Kai; Pu, En-Tang; Cai, Xiang-Hai; Luo, Xiao-Dong","Induced Furoeudesmanes: A Defense Mechanism Against Stress in Laggera pterodonta , a Chinese Herbal Plant.","Organic letters","2013","15","19","4940","4943","10.1021/ol4024826","","","0.71073","MoKα","","0.1189","0.051","","","0.0998","0.1244","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512386","6.98498","0.00008","11.58675","0.00014","35.3323","0.0006","90","","90","","90","","2859.56","0.07","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 Cl N2 O3 Ru S -","- C31 H33 Cl N2 O3 Ru S -","- C124 H132 Cl4 N8 O12 Ru4 S4 -","4","1","","Soni, Rina; Jolley, Katherine E.; Clarkson, Guy J.; Wills, Martin","Direct Formation of Tethered Ru(II) Catalysts Using Arene Exchange.","Organic letters","2013","15","19","5110","5113","10.1021/ol4024979","","","1.54184","CuKα","","0.0293","0.028","","","0.0669","0.0678","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512387","7.5837","0.0001","10.223","0.0001","38.6764","0.0003","90","","90","","90","","2998.51","0.05","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Cl N2 O4 Ru S -","- C32 H35 Cl N2 O4 Ru S -","- C128 H140 Cl4 N8 O16 Ru4 S4 -","4","1","","Soni, Rina; Jolley, Katherine E.; Clarkson, Guy J.; Wills, Martin","Direct Formation of Tethered Ru(II) Catalysts Using Arene Exchange.","Organic letters","2013","15","19","5110","5113","10.1021/ol4024979","","","1.54178","CuKα","","0.0408","0.0393","","","0.0993","0.0997","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512391","9.3945","0.001","11.7375","0.0013","19.054","0.002","90","","90","","90","","2101","0.4","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl N2 O4 -","- C22 H21 Cl N2 O4 -","- C88 H84 Cl4 N8 O16 -","4","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","0.71073","MoKα","","0.0272","0.0262","","","0.0703","0.0713","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512392","7.7223","0.0005","10.6112","0.0007","29.009","0.002","90","","90","","90","","2377.1","0.3","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl N2 O4 -","- C27 H23 Cl N2 O4 -","- C108 H92 Cl4 N8 O16 -","4","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","0.71073","MoKα","","0.0355","0.0304","","","0.0694","0.0729","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512393","8.0023","0.0008","8.5569","0.0007","27.385","0.002","90","","90","","90","","1875.2","0.3","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","1.54178","CuKα","","0.0258","0.0258","","","0.0677","0.0677","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512394","6.3661","0.0001","16.2208","0.0004","18.3651","0.0004","90","","90","","90","","1896.44","0.07","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","1.54178","CuKα","","0.0243","0.0242","","","0.0639","0.064","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512454","11.21","0.008","14.566","0.009","17.044","0.01","90","","90","","90","","2783","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 F6 Fe N3 P -","- C24 H34 F6 Fe N3 P -","- C96 H136 F24 Fe4 N12 P4 -","4","1","","Dmitry S. Perekalin; Maria V. Babak; Eduard E. Karslyan; Yulia V. Nelyubina; Alexander R. Kudinov","Synthesis of iron complexes [(n5-indenyl)FeL3]+ from the readily available[(n5-indenyl)Fe(n6-indene)]+","Inorganica Chimica Acta","2012","392","","73","76","10.1016/j.ica.2012.06.018","","","0.71073","MoKα","","0.0508","0.0378","","","0.0466","0.0482","","","","","","0.974","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512560","6.1962","0.0002","12.5597","0.0004","30.5348","0.0011","90","","90","","90","","2376.29","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O4 -","- C28 H38 O4 -","- C112 H152 O16 -","4","1","","Huang, Chiung-Yao; Liaw, Chih-Chuang; Chen, Bo-Wei; Chen, Pei-Chin; Su, Jui-Hsin; Sung, Ping-Jyun; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng","Withanolide-Based Steroids from the Cultured Soft Coral Sinularia brassica.","Journal of natural products","2013","76","10","1902","1908","10.1021/np400454q","","","1.54178","CuKα","","0.0272","0.027","","","0.0685","0.0687","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512582","7.7991","0.0019","10.857","0.003","37.346","0.01","90","","90","","90","","3162.3","1.4","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Br N2 O10 S -","- C33 H31 Br N2 O10 S -","- C132 H124 Br4 N8 O40 S4 -","4","1","","Harada, Shinji; Morikawa, Takahiro; Nishida, Atsushi","Chiral Holmium Complex-Catalyzed Diels‒Alder Reaction of Silyloxyvinylindoles: Stereoselective Synthesis of Hydrocarbazoles","Organic Letters","2013","15","20","5314","","10.1021/ol402559z","","","0.71073","MoKα","","0.1348","0.0932","","","0.2081","0.2264","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512598","7.6333","0.0012","9.0831","0.0015","23.858","0.003","90","","90","","90","","1654.2","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 F3 N2 O4 -","- C18 H13 F3 N2 O4 -","- C72 H52 F12 N8 O16 -","4","1","","Cheerlavancha, Raju; Lawer, Aggie; Cagnes, Marina; Bhadbhade, Mohan; Hunter, Luke","Sequential Deoxyfluorination Approach for the Synthesis of Protected α,β,γ-Trifluoro-δ-amino Acids.","Organic letters","2013","15","21","5562","5565","10.1021/ol402756e","","","0.71073","MoKα","","0.0483","0.0377","","","0.0826","0.0881","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512610","9.0432","0.0015","10.8298","0.0019","17.173","0.003","90","","90","","90","","1681.9","0.5","228","2","228","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 N5 -","- C16 H29 N5 -","- C64 H116 N20 -","4","1","","Constantine A. Stewart; Diane A. Dickie; Richard A. Kemp","Investigation of metal cyclam complexes as potential catalysts for the production of dimethyl carbonate","Inorganica Chimica Acta","2012","392","","268","276","10.1016/j.ica.2012.03.025","","","0.71073","MoKα","","0.0683","0.0519","","","0.1466","0.1564","","","","","","1.081","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512615","10.0465","0.0003","14.0838","0.0004","16.2733","0.0005","90","","90","","90","","2302.56","0.12","228","2","228","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H29 Cl2 N5 O9 Zn -","- C14 H29 Cl2 N5 O9 Zn -","- C56 H116 Cl8 N20 O36 Zn4 -","4","1","","Constantine A. Stewart; Diane A. Dickie; Richard A. Kemp","Investigation of metal cyclam complexes as potential catalysts for the production of dimethyl carbonate","Inorganica Chimica Acta","2012","392","","268","276","10.1016/j.ica.2012.03.025","","","0.71073","MoKα","","0.0497","0.0399","","","0.1019","0.1085","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512626","8.4261","0.0019","10.766","0.004","19.767","0.005","90","","90","","90","","1793.2","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 Cl2 Cu N2 O6 -","- C12 H22 Cl2 Cu N2 O6 -","- C48 H88 Cl8 Cu4 N8 O24 -","4","1","","Takashi Tsuno; Daiki Kato; Henri Brunner; Hayato Ike","Synthesis and structural characterization of bis[(4S,5R)-4-methoxycarbonyl- 5-methyl-1,3-oxazolidine]copper(II) dichloride and bis[(4S,5R)-4- methoxycarbonyl-5-methyl-2-oxazoline]-[(4S,5R)-4-methoxycarbonyl-5-methyl-1,3- oxazolidine]ruthenium(III) trichloride","Inorganica Chimica Acta","2012","392","","331","334","10.1016/j.ica.2012.03.003","","x-ray","0.71073","MoKα","","0.0422","0.0358","","","0.0764","0.0794","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512631","10.321","0.003","5.3769","0.0017","15.617","0.004","90","","90","","90","","866.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N Se2 -","- C7 H9 N Se2 -","- C28 H36 N4 Se8 -","4","1","","Jaspreet S. Dhau; Amritpal Singh; Avtar Singh; Balwinder S. Sooch; Paula Brandao; Vitor Felix","Synthesis, characterization and X-ray structure of 3,4-lutidinyl-, 3-/4-picolyl- and pyridylselenium compounds","Inorganica Chimica Acta","2012","392","","335","344","10.1016/j.ica.2012.03.043","","","0.71073","MoKα","","0.0243","0.0213","","","0.048","0.0487","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512669","8.8858","0.0001","11.273","0.0002","21.7155","0.0003","90","","90","","90","","2175.23","0.05","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O2 -","- C11 H20 O2 -","- C88 H160 O16 -","8","2","","Malinka Stoyanova; Rositsa Nikolova; Boris Shivachev; Vladimir Dimitrov","Highly efficient synthesis of chiral aminoalcohols with camphane skeleton","Tetrahedron: Asymmetry","2013","24","","1426","","10.1016/j.tetasy.2013.08.015","","","1.54184","CuKα","","0.0406","0.0376","","","0.1127","0.1245","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512737","9.9449","0.0004","10.3521","0.0006","17.5131","0.0011","90","","90","","90","","1802.98","0.17","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(NH)2sal","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Katharina Butsch; Thomas Gunther; Axel Klein; Kathrin Stirnat; Albrecht Berkessel; Jorg Neudorfl","Redox chemistry of copper complexes with various salen type ligands","Inorganica Chimica Acta","2012","393","","237","246","","","","0.71073","MoKα","","0.0531","0.0342","","","0.0688","0.074","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512738","10.8776","0.0007","13.7904","0.0008","27.529","0.002","90","","90","","90","","4129.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Me2salF4","","","- C22 H22 F4 N2 O2 -","- C22 H22 F4 N2 O2 -","- C176 H176 F32 N16 O16 -","8","2","","Katharina Butsch; Thomas Gunther; Axel Klein; Kathrin Stirnat; Albrecht Berkessel; Jorg Neudorfl","Redox chemistry of copper complexes with various salen type ligands","Inorganica Chimica Acta","2012","393","","237","246","","","","0.71073","MoKα","","0.1427","0.0469","","","0.076","0.094","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512883","6.9147","0.0006","12.4968","0.0009","21.382","0.002","90","","90","","90","","1847.7","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O -","- C22 H24 N2 O -","- C88 H96 N8 O4 -","4","1","","Ana S.D. Ferreira; M. Fernanda N.N. Carvalho; Adelino M. Galvao; Luis F. Veiros","Tuning structure and properties of Pd and Pt camphor derived complexes","Inorganica Chimica Acta","2013","395","","169","175","10.1016/j.ica.2012.10.036","","","0.71073","MoKα","","0.0648","0.0471","","","0.1105","0.1506","","","","","","1.214","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512923","15.8","0.002","16.544","0.002","27.596","0.004","90","","90","","90","","7213.5","1.6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H72 N6 O12 Zr3 -","- C54 H72 N6 O12 Zr3 -","- C216 H288 N24 O48 Zr12 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized group 4 metal alkoxides modified with the pyridyl-based ligands 2-mercapto pyridine n-oxide and 3,3'-dihydroxy-2,2'-bipyridine","Polyhedron","2008","27","14","3079","3084","10.1016/j.poly.2008.06.037","","","0.71073","MoKα","","0.0354","0.0324","","","0.0799","0.0816","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512954","11.8","0.004","14.935","0.005","17.186","0.006","90","","90","","90","","3028.7","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cu Gd N5 O14 -","- C25 H32 Cu Gd N5 O14 -","- C100 H128 Cu4 Gd4 N20 O56 -","4","1","","Yan Sui; Dong-Sheng Liu; Rong-Hua Hu; Jian-Gen Huang","One-dimensional zigzag chain of Cu-Gd coordination polymers derived from chiral hexadentate Schiff base ligands: Synthesis, structure and magnetic properties","Inorganica Chimica Acta","2013","395","","225","229","10.1016/j.ica.2012.10.035","","","0.71073","MoKα","","0.0609","0.0593","","","0.1521","0.153","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512955","11.87","0.006","14.995","0.008","17.229","0.009","90","","90","","90","","3067","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cu Gd N5 O14 -","- C25 H32 Cu Gd N5 O14 -","- C100 H128 Cu4 Gd4 N20 O56 -","4","1","","Yan Sui; Dong-Sheng Liu; Rong-Hua Hu; Jian-Gen Huang","One-dimensional zigzag chain of Cu-Gd coordination polymers derived from chiral hexadentate Schiff base ligands: Synthesis, structure and magnetic properties","Inorganica Chimica Acta","2013","395","","225","229","10.1016/j.ica.2012.10.035","","","0.71073","MoKα","","0.1467","0.1001","","","0.1767","0.2148","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512964","19.628","0.001","30.001","0.002","37.205","0.001","90","","90","","90","","21908.5","1.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C245.2 H208 N8 O23.05 U3 -","- C245.2 H208 N8 O23.05 U3 -","- C980.8 H832 N32 O92.2 U12 -","4","1","","Giovanna Brancatelli; Andrea Pappalardo; Giuseppe Trusso Sfrazzetto; Anna Notti; Silvano Geremia","Mono- and dinuclear uranyl(VI) complexes with chiral Schiff base ligand","Inorganica Chimica Acta","2013","396","","25","29","10.1016/j.ica.2012.12.034","","","0.7","synchrotron","","0.0732","0.0611","","","0.16","0.171","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512965","7.4582","0.0002","7.4654","0.0002","41.4496","0.0012","90","","90","","90","","2307.85","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N8 O10 Zn -","- C18 H22 N8 O10 Zn -","- C72 H88 N32 O40 Zn4 -","4","1","","Konstantis F. Konidaris; Maria Giouli; Catherine P. Raptopoulou; Vassilis Psycharis; Ioannis I. Verginadis; Anastasios Vasiliadis; Amalia S. Afendra; Spyridon Karkabounas; Evy Manessi-Zoupa; Theocharis C. Stamatatos","Employment of pyridyl oximes and dioximes in zinc(II) chemistry: Synthesis, structural and spectroscopic characterization, and biological evaluation","Inorganica Chimica Acta","2013","396","","49","59","10.1016/j.ica.2012.09.039","","","1.54187","CuKα","","0.097","0.0833","","","0.2051","0.2261","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512966","7.0635","0.0001","7.0866","0.0001","50.7469","0.0012","90","","90","","90","","2540.2","0.08","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 N12 O14 Zn -","- C14 H24 N12 O14 Zn -","- C56 H96 N48 O56 Zn4 -","4","1","","Konstantis F. Konidaris; Maria Giouli; Catherine P. Raptopoulou; Vassilis Psycharis; Ioannis I. Verginadis; Anastasios Vasiliadis; Amalia S. Afendra; Spyridon Karkabounas; Evy Manessi-Zoupa; Theocharis C. Stamatatos","Employment of pyridyl oximes and dioximes in zinc(II) chemistry: Synthesis, structural and spectroscopic characterization, and biological evaluation","Inorganica Chimica Acta","2013","396","","49","59","10.1016/j.ica.2012.09.039","","","1.54178","CuKα","","0.0525","0.0475","","","0.1108","0.12","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512968","12.2553","0.0006","14.0872","0.0004","29.2874","0.0009","90","","90","","90","","5056.3","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H45 Cu O3 P2 S3 Zn -","- C57 H45 Cu O3 P2 S3 Zn -","- C228 H180 Cu4 O12 P8 S12 Zn4 -","4","1","","Suryabhan Singh; Jyotsna Chaturvedi; A.S. Aditya; N. Rajasekhar Reddy; Subrato Bhattacharya","Syntheses and structural studies of heterobimetallic thiocarboxylate complexes containing zinc and copper","Inorganica Chimica Acta","2013","396","","6","9","10.1016/j.ica.2012.11.022","","","0.71073","MoKα","","0.0685","0.0501","","","0.1127","0.1186","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512988","8.628","0.009","11.743","0.012","19.817","0.018","90","","90","","90","","2008","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cd N3 O9.5 S -","- C13 H13 Cd N3 O9.5 S -","- C52 H52 Cd4 N12 O38 S4 -","4","1","","Amal Cherian Kathalikkattil; P.S. Subramanian; Eringathodi Suresh","Structural diversity in two dimensional chiral coordination polymers involving 4,4'bipyridine and l-cysteate as bridging ligands with Zn and Cd metal centres: Synthesis, characterization and X-ray crystallographic studies","Inorganica Chimica Acta","2011","365","1","363","370","10.1016/j.ica.2010.09.049","","","0.71073","MoKα","","0.1066","0.0611","","","0.1082","0.125","","","","","","0.909","","","","has coordinates","288193","2023-12-08","17:12:23",""
"1513027","8.4769","0.0003","18.5949","0.0007","22.2123","0.0009","90","","90","","90","","3501.3","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-((Biphenyl-2,2'-dicarboxylato)-bis(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-copper(ii) monohydrate)","","- C34 H38 Cu N8 O5 -","- C34 H38 Cu N8 O5 -","- C136 H152 Cu4 N32 O20 -","4","1","","Jens Hunger","Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands","Inorganica Chimica Acta","2013","397","","60","68","10.1016/j.ica.2012.11.019","","","0.71073","MoKα","","0.0369","0.0315","","","0.0806","0.0822","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513029","11.1779","0.0009","13.3676","0.0014","16.3999","0.0018","90","","90","","90","","2450.5","0.4","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-((μ~2~-Biphenyl-2,2'-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-zinc(ii) hemihydrate)","","- C24 H23.21 N4 O4.61 Zn -","- C24 H23.21 N4 O4.605 Zn -","- C96 H92.84 N16 O18.42 Zn4 -","4","1","","Jens Hunger","Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands","Inorganica Chimica Acta","2013","397","","60","68","10.1016/j.ica.2012.11.019","","","0.71073","MoKα","","0.033","0.0243","","","0.0419","0.0425","","","","","","0.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513044","7.711","0.003","12.974","0.006","23.865","0.011","90","","90","","90","","2387.5","1.8","199","2","199","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,4bis(2hydroxyethyl)piperazinium MA MA acid","","","- C24 H34 Cl0 N2 O8 -","- C24 H34 N2 O8 -","- C96 H136 N8 O32 -","4","1","","Ivanova, Bojidarka","Matrixes in UV-MALDI Mass spectrometry – crystals of organic salts versus co-crystals of neutral polyfunctional carboxylic acids","Analytical Methods","2012","4","","2247","","10.1039/C2AY25090J","","","0.71073","MoKα","","0.1227","0.1047","","","0.2195","0.2338","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513050","5.1598","0.0007","9.1407","0.0012","20.19","0.003","90","","90","","90","","952.2","0.2","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 I N O -","- C8 H12 I N O -","- C32 H48 I4 N4 O4 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Salts of aromatic amines: Crystal structures, spectroscopic and non-linear optical properties","Spectrochimica Acta Part A","2010","77","","849","","10.1016/j.saa.2010.08.017","","","0.71073","MoKα","","0.0214","0.0197","","","0.048","0.049","","","","","","0.797","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513058","8.598","0.003","13.739","0.005","14.788","0.006","90","","90","","90","","1746.9","1.1","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1-(3-chlorpropyl)piperidinium 5-sulfosalicylicilate","","","- C15 H22 Cl N O6 S -","- C15 H22 Cl N O6 S -","- C60 H88 Cl4 N4 O24 S4 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study","Journal of Molecular Structure","2013","1036","","226","","10.1016/j.molstruc.2012.11.018","","","0.71073","MoKα","","0.1008","0.0886","","","0.205","0.2139","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513060","6.7864","0.0008","12.0208","0.0016","22.005","0.003","90","","90","","90","","1795.1","0.4","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H29 N5 O5 -","- C12 H29 N5 O5 -","- C48 H116 N20 O20 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Heptachloroepoxides - theoretical versus experimental study of the embedded samples in the matrixes of organic crystals","Journal of Inclusion Phenomena and Macrocyclic Chemistry","2013","76","","415","","10.1007/s10847-012-0213-x","","","0.71073","MoKα","","0.085","0.0582","","","0.154","0.1694","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513063","9.8714","0.0007","15.9402","0.0011","18.5446","0.0013","90","","90","","90","","2918","0.4","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 N O -","- C37 H37 N O -","- C148 H148 N4 O4 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Conformation, optical properties, and absolute configuration of 2',3'-Isopropylideneadenosines: theoretical vs. experimental study","Journal of Molecular Structure","2011","1004","","303","","10.1016/j.molstruc.2011.08.027","","","0.71073","MoKα","","0.0563","0.0469","","","0.1245","0.1313","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513093","12.577","0.005","16.012","0.006","16.519","0.006","90","","90","","90","","3327","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Cl3 N3 O2 Sc -","- C31 H39 Cl3 N3 O2 Sc -","- C124 H156 Cl12 N12 O8 Sc4 -","4","1","","Pan, Yu; Xu, Tieqi; Fu, Song; Yang, Guan-Wen; Lu, Xiao-Bing","Remarkable Stereochemistry Control in the Polymerization of α-Olefins Using a Simple Scandium Catalyst System","Macromolecules","2013","46","22","8790","","10.1021/ma401840f","","","0.71073","MoKα","","0.1332","0.0832","","","0.2243","0.2648","","","","","","1.044","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1513101","9.2491","0.0007","14.3509","0.0013","15.8699","0.0013","90","","90","","90","","2106.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O8 S -","- C20 H26 O8 S -","- C80 H104 O32 S4 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Lv, Cui-Ting; Li, Chun-Shun; Xu, Gang-Ming; Huang, Cai-Guo; Wang, Bin-Gui","Sulfur-Containing Cytotoxic Curvularin Macrolides from Penicillium sumatrense MA-92, a Fungus Obtained from the Rhizosphere of the Mangrove Lumnitzera racemosa.","Journal of natural products","2013","76","11","2145","2149","10.1021/np400614f","","","0.71073","MoKα","","0.1067","0.0683","","","0.1389","0.1671","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513102","7.0316","0.0002","9.5125","0.0004","21.7347","0.0008","90","","90","","90","","1453.79","0.09","150","","150","2","","","","","","","Phyllidia coelestis Bergh","4","P 21 21 21","P 2ac 2ab","19","1-formamido-abeo-pupukeanane","","","- C16 H27 N O -","- C16 H27 N O -","- C64 H108 N4 O4 -","4","1","","Jaisamut, Sunan; Prabpai, Samran; Tancharoen, Chompoonuch; Yuenyongsawad, Supreeya; Hannongbua, Supa; Kongsaeree, Palangpon; Plubrukarn, Anuchit","Bridged Tricyclic Sesquiterpenes from the Tubercle Nudibranch Phyllidia coelestis Bergh.","Journal of natural products","2013","76","11","2158","2161","10.1021/np4007074","","x-ray","0.71073","MoKα","","0.0533","0.0457","","","0.1062","0.1111","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513112","9.5078","0.0002","10.0045","0.0003","22.4594","0.0006","90","","90","","90","","2136.36","0.1","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl O6 -","- C22 H31 Cl O6 -","- C88 H124 Cl4 O24 -","4","1","","Igarashi, Yasuhiro; Zhou, Tao; Sato, Seizo; Matsumoto, Takashi; Yu, Linkai; Oku, Naoya","Akaeolide, a carbocyclic polyketide from marine-derived streptomyces.","Organic letters","2013","15","22","5678","5681","10.1021/ol402661r","","","1.54187","CuKα","","","0.0364","","","","0.0918","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513113","6.1571","0.0012","7.7921","0.0016","31.207","0.006","90","","90","","90","","1497.2","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Wang, Zhenjun; Ren, Jun; Wang, Zhongwen","Lewis acids promoted formal intramolecular [3 + 2] parallel and cross-cycloadditions of cyclopropane 1,1-diesters with allenes.","Organic letters","2013","15","22","5682","5685","10.1021/ol402662j","","","0.71073","MoKα","","0.0883","0.0734","","","0.2","0.2123","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513120","6.3073","0.0005","11.2135","0.0008","32.412","0.002","90","","90","","90","","2292.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27.58 Br O8.29 -","- C23 H27.584 Br O8.292 -","- C92 H110.336 Br4 O33.168 -","4","1","","Riley, Andrew P.; Day, Victor W.; Navarro, Hern A.; Prisinzano, Thomas E.","Palladium-Catalyzed Transformations of Salvinorin A, a Neoclerodane Diterpene fromSalvia divinorum","Organic Letters","2013","15","23","5936","","10.1021/ol4027528","","","1.54178","CuKα","","0.0305","0.0297","","","0.082","0.0828","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513121","6.2995","0.0003","20.109","0.0011","21.2319","0.0012","90","","90","","90","","2689.6","0.2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O2 -","- C34 H37 N O2 -","- C136 H148 N4 O8 -","4","1","","Kuwahara, Shunsuke; Nakamura, Masaya; Yamaguchi, Akira; Ikeda, Mari; Habata, Yoichi","Combination of a New Chiroptical Probe and Theoretical Calculations for Chirality Detection of Primary Amines","Organic Letters","2013","15","22","5738","","10.1021/ol402767a","","","0.71073","MoKα","","0.0489","0.0442","","","0.1016","0.1043","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513125","9.9583","0.0008","11.9802","0.0009","22.9491","0.0017","90","","90","","90","","2737.9","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cinchonine salt","Cinchonine, M.Rubin sample #4","","- C31 H35 Br N2 O3 -","- C31 H35 Br N2 O3 -","- C124 H140 Br4 N8 O12 -","4","1","","Ryabchuk, Pavel; Edwards, Andrew; Gerasimchuk, Nikolay; Rubina, Marina; Rubin, Michael","Dual Control of the Selectivity in the Formal Nucleophilic Substitution of Bromocyclopropanes en Route to Densely Functionalized, Chirally Rich Cyclopropyl Derivatives","Organic Letters","2013","15","23","6010","","10.1021/ol4027792","","","0.71073","MoKα","","0.0491","0.0356","","","0.0701","0.075","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513126","9.6721","0.0004","19.6189","0.0011","21.5843","0.0011","90","","90","","90","","4095.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Pasha","Chiral-(R)-substituted cyclopropane","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C184 H232 N8 O16 -","8","2","","Ryabchuk, Pavel; Edwards, Andrew; Gerasimchuk, Nikolay; Rubina, Marina; Rubin, Michael","Dual Control of the Selectivity in the Formal Nucleophilic Substitution of Bromocyclopropanes en Route to Densely Functionalized, Chirally Rich Cyclopropyl Derivatives","Organic Letters","2013","15","23","6010","","10.1021/ol4027792","","","1.2399","synchrotron","","0.0771","0.0723","","","0.1828","0.1874","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513141","8.6643","0.0006","16.9926","0.0012","19.039","0.0014","90","","90","","90","","2803.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C128 H184 N8 O24 -","8","2","","Zeng, Chen; Zheng, Changwu; Zhao, Jingyun; Zhao, Gang","Divergent Total Syntheses of (−)-Lycopladine D, (+)-Fawcettidine, and (+)-Lycoposerramine Q","Organic Letters","2013","15","22","5846","","10.1021/ol402906y","","","0.71073","MoKα","","0.054","0.0419","","","0.0954","0.1012","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513145","7.9684","0.0017","11.671","0.002","18.419","0.004","90","","90","","90","","1713","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O -","- C24 H18 O -","- C96 H72 O4 -","4","1","","Yin, Hui-Ying; Liu, Meng-Yuan; Shao, Li-Xiong","Two-Component, Three-Molecule Reactions between 2,3-Dihydroinden-1-ones and Aryl Chlorides Catalyzed by anN-Heterocyclic Carbene‒Palladium(II)‒1-Methylimidazole Complex","Organic Letters","2013","15","23","6042","","10.1021/ol4029447","","","0.71073","MoKα","","0.1004","0.0871","","","0.2374","0.2471","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513152","12.0469","0.0007","12.5034","0.001","15.3775","0.0008","90","","90","","90","","2316.3","0.3","99.1","","99.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O7 -","- C26 H30 O7 -","- C104 H120 O28 -","4","1","","Yuan, Yafei; Feng, Yu; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","A Botryane Metabolite with a New Hexacyclic Skeleton from an Entomogenous FungusHypocreasp.","Organic Letters","2013","15","23","6050","","10.1021/ol402953k","","","1.5418","CuKα","","0.0337","0.0325","","","0.0852","0.0864","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513167","7.5616","0.0012","13.63","0.003","14.338","0.003","90","","90","","90","","1477.7","0.5","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O8 -","- C14 H18 N2 O8 -","- C56 H72 N8 O32 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Noncentrosymmetric Crystals with Marked Nonlinear Optical Properties","Journal of Physical Chemistry A","2010","114","","5099","5103","10.1021/jp1002758","","","0.71073","MoKα","","0.089","0.0798","","","0.1894","0.1987","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513169","5.229","0.003","10.824","0.007","13.514","0.009","90","","90","","90","","764.9","0.8","206","2","206","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cis-bis(glycinato)Cu(II)","","","- C4 H8 Cu N2 O5 -","- C4 H8 Cu N2 O5 -","- C16 H32 Cu4 N8 O20 -","4","1","","Lamshöft, M.; Ivanova, B.","Review: Protonation and coordination ability of small peptides - theoretical and experimental approaches for elucidation","Journal of Coordination Chemistry","2011","64","14","2419","2442","10.1080/00958972.2011.598926","","","0.71073","MoKα","","0.0993","0.0755","","","0.1779","0.1996","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513196","10.4176","0.0014","16.197","0.002","21.507","0.003","90","","90","","90","","3629","0.8","123","2","123","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 Cl Fe N O3 P2 Pd S -","- C41 H32 Cl Fe N O3 P2 Pd S -","- C164 H128 Cl4 Fe4 N4 O12 P8 Pd4 S4 -","4","1","","Subhi A. Al-Jibori; Amina I.A. Al-Nassiry; Graeme Hogarth; Luca Salassa","Platinum and palladium bis(diphenylphosphino)ferrocene (dppf) complexes with heterocyclic N-acetamide ligands: Synthesis and molecular structures of [MCl(sac)(k2-dppf)] (M = Pt, Pd, sac = saccharinate), [PtCl(ata)(k2-dppf)] and [Pt(ata)2(k2-dppf)] (ataH = N-(2-thiazolyl)acetamide","Inorganica Chimica Acta","2013","398","","46","53","10.1016/j.ica.2012.12.010","","","0.71073","MoKα","","0.0511","0.0419","","","0.0866","0.0897","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513197","10.422","0.0009","16.2327","0.0015","21.504","0.002","90","","90","","90","","3638","0.6","123","2","123","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 Cl Fe N O3 P2 Pt S -","- C41 H32 Cl Fe N O3 P2 Pt S -","- C164 H128 Cl4 Fe4 N4 O12 P8 Pt4 S4 -","4","1","","Subhi A. Al-Jibori; Amina I.A. Al-Nassiry; Graeme Hogarth; Luca Salassa","Platinum and palladium bis(diphenylphosphino)ferrocene (dppf) complexes with heterocyclic N-acetamide ligands: Synthesis and molecular structures of [MCl(sac)(k2-dppf)] (M = Pt, Pd, sac = saccharinate), [PtCl(ata)(k2-dppf)] and [Pt(ata)2(k2-dppf)] (ataH = N-(2-thiazolyl)acetamide","Inorganica Chimica Acta","2013","398","","46","53","10.1016/j.ica.2012.12.010","","","0.71073","MoKα","","0.0404","0.0336","","","0.0624","0.0643","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513206","12.091","0.006","12.663","0.006","24.743","0.012","90","","90","","90","","3788","3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 N2 O9 P Ru -","- C41 H45 N2 O9 P Ru -","- C164 H180 N8 O36 P4 Ru4 -","4","1","","Soumik Mandal; Santanu Mandal; Dipravath K. Seth; Balaram Mukhopadhyay; Parna Gupta","Ruthenium and osmium complexes of novel carbohydrate derived salen ligands: Synthesis, characterization and in situ ligand reduction","Inorganica Chimica Acta","2013","398","","83","88","10.1016/j.ica.2012.12.016","","","0.71073","MoKα","","0.1499","0.069","","","0.0755","0.0944","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513207","13.595","0.006","16.977","0.007","19.141","0.008","90","","90","","90","","4418","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H45 N2 O6 Os P -","- C47 H45 N2 O6 Os P -","- C188 H180 N8 O24 Os4 P4 -","4","1","","Soumik Mandal; Santanu Mandal; Dipravath K. Seth; Balaram Mukhopadhyay; Parna Gupta","Ruthenium and osmium complexes of novel carbohydrate derived salen ligands: Synthesis, characterization and in situ ligand reduction","Inorganica Chimica Acta","2013","398","","83","88","10.1016/j.ica.2012.12.016","","","0.71073","MoKα","","0.078","0.045","","","0.0894","0.1021","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513210","9.4126","0.0014","14.233","0.002","37.401","0.005","90","","90","","90","","5010.6","1.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72 H114 N0 O73 -","- C72 H114 O73 -","- C144 H228 O146 -","2","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates ‒ experimental and theoretical gas ‒ and condense phase study","International Journal of Biological Macromolecules","2014","64","","383","391","10.1016/j.ijbiomac.2013.12.026","","","0.71073","MoKα","","0.0898","0.0646","","","0.1564","0.1695","","","","","","1.12","","","","has coordinates","202445","2020-10-21","18:00:00",""
"1513218","11.2384","0.0002","12.0287","0.0003","19.6185","0.0004","90","","90","","90","","2652.09","0.1","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 O12 -","- C26 H38 O12 -","- C104 H152 O48 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","1.54178","CuKα","","0.0352","0.0346","","","0.111","0.1118","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513219","11.6397","0.0002","11.7388","0.0002","19.9846","0.0003","90","","90","","90","","2730.62","0.08","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O11 -","- C28 H40 O11 -","- C112 H160 O44 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","1.54178","CuKα","","0.0345","0.0339","","","0.0912","0.092","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513220","11.3438","0.0008","14.0817","0.0009","16.2703","0.001","90","","90","","90","","2599","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","K4C521XC","","","- C26 H38 O12 -","- C26 H38 O12 -","- C104 H152 O48 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","0.71073","MoKα","","0.0421","0.0369","","","0.0874","0.0968","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513221","11.3539","0.0001","11.8861","0.0001","21.7292","0.0002","90","","90","","90","","2932.43","0.04","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O11 -","- C29 H44 O11 -","- C116 H176 O44 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","1.54178","CuKα","","0.0322","0.0318","","","0.0862","0.0865","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513224","8.4307","0.0002","11.7779","0.0003","23.1333","0.0005","90","","90","","90","","2297.04","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O8 -","- C23 H38 O8 -","- C92 H152 O32 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0294","0.0291","","","0.0792","0.0795","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513225","7.5784","0.0001","10.6565","0.0002","26.4145","0.0005","90","","90","","90","","2133.21","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O7 -","- C22 H32 O7 -","- C88 H128 O28 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.034","0.0335","","","0.0923","0.0928","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513227","7.5766","0.0002","10.629","0.0002","26.1402","0.0005","90","","90","","90","","2105.11","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O7 -","- C22 H32 O7 -","- C88 H128 O28 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0339","0.0336","","","0.0944","0.0949","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513228","6.7118","0.0001","13.4388","0.0002","23.6639","0.0004","90","","90","","90","","2134.45","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O7 -","- C23 H34 O7 -","- C92 H136 O28 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0348","0.0331","","","0.1081","0.1177","","","","","","1.209","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513294","10.1832","0.00018","14.6254","0.0003","16.1967","0.0003","90","","90","","90","","2412.23","0.08","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H18 Fe N4 -","- C32 H18 Fe N4 -","- C128 H72 Fe4 N16 -","4","1","","Michinobu, Tsuyoshi; Kumazawa, Hiroe; Noguchi, Keiichi; Shigehara, Kiyotaka","One-Step Synthesis of Donor−Acceptor type Conjugated Polymers from Ferrocene-Containing Poly(aryleneethynylene)s","Macromolecules","2009","42","16","5903","","10.1021/ma9013324","","","1.54187","CuKα","","0.0438","0.0367","","","0.0796","0.0874","","","","","","1.187","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513358","10.7324","0.0005","23.7833","0.0014","28.8248","0.0012","90","","90","","90","","7357.6","0.6","98.9","","98.9","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32.5 H52.5 Cl7.5 O3 -","- C32.5 H52.5 Cl7.5 O3 -","- C260 H420 Cl60 O24 -","8","2","","Zhou, Jian; Li, Chuang-Jun; Yang, Jing-Zhi; Ma, Jie; Li, Yan; Bao, Xiu-Qi; Chen, Xiao-Guang; Zhang, Dan; Zhang, Dong-Ming","Lupane Triterpenoids from the Stems of Euonymus carnosus.","Journal of natural products","2014","77","2","276","284","10.1021/np400851k","","","1.5418","CuKα","","0.0796","0.0636","","","0.1512","0.1659","","","","","","1.021","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513359","11.2107","0.0006","11.5443","0.0006","12.1199","0.0007","90","","90","","90","","1568.55","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-deoxyleuconoxine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0478","0.0379","","","0.0921","0.0985","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513361","7.1721","0.0004","26.1619","0.0013","27.9882","0.0015","90","","90","","90","","5251.6","0.5","298","2","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl2 N2 O3 -","- C19 H22 N2 O3.33333 -","- C228 H264 N24 O40 -","12","3","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MOKα","","0.1478","0.1079","","","0.2836","0.313","","","","","","1.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513363","8.8855","0.0004","11.394","0.0005","14.8635","0.0007","90","","90","","90","","1504.8","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6,7-dehydroleuconoxine","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0433","0.0374","","","0.0929","0.0965","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513364","8.1771","0.0001","10.8938","0.0002","19.8901","0.0003","90","","90","","90","","1771.8","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","leuconolam","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MoKα","","0.0331","0.031","","","0.0862","0.0891","","","","","","0.625","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513365","9.6652","0.0005","16.1799","0.0009","21.1959","0.0011","90","","90","","90","","3314.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C152 H176 N16 O24 -","8","2","","Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok","Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.","Journal of natural products","2014","77","2","327","338","10.1021/np400922x","","","0.71073","MOKα","","0.0409","0.0356","","","0.0877","0.0905","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513367","6.8307","0.0005","14.3712","0.0011","15.256","0.0011","90","","90","","90","","1497.61","0.19","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O8 -","- C15 H24 O8 -","- C60 H96 O32 -","4","1","","Fruhmann, Philipp; Mikula, Hannes; Wiesenberger, Gerlinde; Varga, Elisabeth; Lumpi, Daniel; Stöger, Berthold; Häubl, Georg; Lemmens, Marc; Berthiller, Franz; Krska, Rudolf; Adam, Gerhard; Hametner, Christian; Fröhlich, Johannes","Isolation and structure elucidation of pentahydroxyscirpene, a trichothecene fusarium mycotoxin.","Journal of natural products","2014","77","1","188","192","10.1021/np4008365","","x-ray","0.71073","MoKα","","0.0405","0.0362","","","0.0472","0.0476","","","","2.83","2.83","2.73","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513373","6.6087","0.0005","6.6339","0.0004","27.605","0.002","90","","90","","90","","1210.24","0.15","103.1","","103.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 O6 -","- C11 H18 O6 -","- C44 H72 O24 -","4","1","","Chen, Shenxi; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Dioxatricyclic and Oxabicyclic Polyketides from Trichocladium opacum.","Journal of natural products","2014","77","1","9","14","10.1021/np4004799","","","0.7107","MoKα","","0.1718","0.1693","","","0.4022","0.4033","","","","","","0.35","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513390","4.3991","0.0003","15.0875","0.0012","21.4552","0.0015","90","","90","","90","","1424.01","0.18","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H12 S -","- C22 H12 S -","- C88 H48 S4 -","4","1","","Zhang, Shiqian; Qiao, Xiaolan; Chen, Ying; Wang, Yuanyuan; Edkins, Robert M.; Liu, Zhiqiang; Li, Hongxiang; Fang, Qi","Synthesis, Structure, and Opto-electronic Properties of Regioisomeric Pyrene-Thienoacenes.","Organic letters","2014","16","2","342","345","10.1021/ol402971n","","","0.71073","MoKα","","0.0907","0.0562","","","0.1227","0.1394","","","","","","1.301","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513397","9.2966","0.0005","12.0684","0.0007","27.4671","0.0016","90","","90","","90","","3081.7","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H55 N5 -","- C35 H55 N5 -","- C140 H220 N20 -","4","1","","Cao, Ming-Ming; Huang, Sheng-Dian; Di, Ying-Tong; Yuan, Chun-Mao; Zuo, Guo-Ying; Gu, Yu-Cheng; Zhang, Yu; Hao, Xiao-Jiang","Myrifabine, the First Dimeric Myrioneuron Alkaloid from Myrioneuron faberi.","Organic letters","2014","16","2","528","531","10.1021/ol403408m","","","1.54178","CuKα","","0.0434","0.042","","","0.1127","0.1138","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513398","5.5837","0.0013","9.0762","0.0017","31.477","0.007","90","","90","","90","","1595.2","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3a","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C76 H64 N8 O8 -","4","1","","Zhou, Bing; Du, Juanjuan; Yang, Yaxi; Feng, Huijin; Li, Yuanchao","Rh(III)-Catalyzed C-H Amidation with N-Hydroxycarbamates: A New Entry to N-Carbamate-Protected Arylamines.","Organic letters","2014","16","2","592","595","10.1021/ol403477w","","","0.71073","MoKα","","0.1354","0.0563","","","0.0929","0.1173","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513413","7.799","0.004","10.222","0.005","20.921","0.01","90","","90","","90","","1667.9","1.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O3 -","- C17 H16 Cl N O3 -","- C68 H64 Cl4 N4 O12 -","4","1","","Liu, Le; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","PhICl2 and Wet DMF: An Efficient System for Regioselective Chloroformyloxylation/α-Chlorination of Alkenes/α,β-Unsaturated Compounds.","Organic letters","2014","16","2","436","439","10.1021/ol403321n","","","0.71073","MoKα","","0.0491","0.0424","","","0.1175","0.1253","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513418","10.727","0.002","10.905","0.002","26.433","0.005","90","","90","","90","","3092.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H18 Cl4 N6 O4 -","- C36 H18 Cl4 N6 O4 -","- C144 H72 Cl16 N24 O16 -","4","1","","Gao, Jing; Xiao, Chengyi; Jiang, Wei; Wang, Zhaohui","Cyano-Substituted Perylene Diimides with Linearly Correlated LUMO Levels.","Organic letters","2014","16","2","394","397","10.1021/ol403250r","","","0.71073","MoKα","","0.0838","0.0803","","","0.1854","0.1886","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513426","11.4547","0.0003","13.3323","0.0004","48.8967","0.0014","90","","90","","90","","7467.4","0.4","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H40 N O5 P -","- C46 H40 N O5 P -","- C368 H320 N8 O40 P8 -","8","2","","Morin, Marie S. T.; Arndtsen, Bruce A.","Chiral phosphorus-based 1,3-dipoles: a modular approach to enantioselective 1,3-dipolar cycloaddition and polycyclic 2-pyrroline synthesis.","Organic letters","2014","16","4","1056","1059","10.1021/ol4035512","","","1.54178","CuKα","","0.0974","0.0685","","","0.1531","0.1694","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513441","10.1265","0.0002","10.6178","0.0002","18.064","0.0003","90","","90","","90","","1942.26","0.06","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N3 O2 -","- C20 H29 N3 O2 -","- C80 H116 N12 O8 -","4","1","","Kapras, Vojtěch; Pohl, Radek; Císařová, Ivana; Jahn, Ullrich","Asymmetric Domino Aza-Michael Addition/[3 + 2] Cycloaddition Reactions as a Versatile Approach to α,β,γ-Triamino Acid Derivatives.","Organic letters","2014","16","4","1088","1091","10.1021/ol403660w","","","0.71073","MoKα","","0.0392","0.0341","","","0.0817","0.0847","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513442","8.2352","0.0002","9.944","0.0002","23.9419","0.0006","90","","90","","90","","1960.62","0.08","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N3 O2 -","- C20 H29 N3 O2 -","- C80 H116 N12 O8 -","4","1","","Kapras, Vojtěch; Pohl, Radek; Císařová, Ivana; Jahn, Ullrich","Asymmetric Domino Aza-Michael Addition/[3 + 2] Cycloaddition Reactions as a Versatile Approach to α,β,γ-Triamino Acid Derivatives.","Organic letters","2014","16","4","1088","1091","10.1021/ol403660w","","","0.71073","MoKα","","0.032","0.0304","","","0.0783","0.0797","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513444","5.86956","0.00007","16.1458","0.0002","22.8868","0.0003","90","","90","","90","","2168.95","0.05","100.3","0.6","100.3","0.6","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O3 S -","- C24 H29 N O3 S -","- C96 H116 N4 O12 S4 -","4","1","","Fustero, Santos; Lázaro, Rubén; Aiguabella, Nuria; Riera, Antoni; Simón-Fuentes, Antonio; Barrio, Pablo","Asymmetric allylation/Pauson-Khand reaction: a simple entry to polycyclic amines. Application to the synthesis of aminosteroid analogues","Organic Letters","2014","16","4","1224","1227","10.1021/ol500142c","","x-ray","1.54184","CuKα","","0.0261","0.0254","","","0.066","0.0666","","","","","","1.052","","","","has coordinates","218674","2020-10-21","18:00:00",""
"1513456","8.0051","0.0002","17.9833","0.0006","28.7749","0.001","90","","90","","90","","4142.4","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br N O4 -","- C24 H22 Br N O4 -","- C192 H176 Br8 N8 O32 -","8","2","","Viswambharan, Baby; Gori, Didier; Guillot, Régis; Kouklovsky, Cyrille; Alezra, Valérie","Substrate Control in Enantioselective and Diastereoselective Aldol Reaction by Memory of Chirality: A Rapid Access to Enantiopure β-Hydroxy Quaternary α-Amino Acids.","Organic letters","2014","16","3","788","791","10.1021/ol403523e","","x-ray","0.71073","MoKα","","0.0483","0.0353","","","0.0728","0.0758","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513460","9.2689","0.0003","11.8049","0.0003","29.331","0.0008","90","","90","","90","","3209.35","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N2 O4 S -","- C37 H36 N2 O4 S -","- C148 H144 N8 O16 S4 -","4","1","","Rao, V. U. Bhaskara; Jadhav, Amol P.; Garad, Dnyaneshwar; Singh, Ravi P.","Asymmetric Vinylogous Mannich Reaction of Silyloxy Furans with N-tert-Butanesulfinyl Ketimines.","Organic letters","2014","16","3","648","651","10.1021/ol4037117","","","0.71073","MoKα","","0.0551","0.0426","","","0.104","0.1109","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513490","9.75","0.002","11.39","0.003","17.892","0.004","90","","90","","90","","1987","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Br N2 O2 -","- C22 H23 Br N2 O2 -","- C88 H92 Br4 N8 O8 -","4","1","","Mittal, Nisha; Sun, Diana X.; Seidel, Daniel","Conjugate-base-stabilized brønsted acids: catalytic enantioselective pictet-spengler reactions with unmodified tryptamine.","Organic letters","2014","16","3","1012","1015","10.1021/ol403773a","","","0.71073","MoKα","","0.1579","0.0938","","","0.1992","0.225","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513503","7.8654","0.0006","14.273","0.001","22.07","0.0016","90","","90","","90","","2477.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O6 S -","- C26 H31 N O6 S -","- C104 H124 N4 O24 S4 -","4","1","","Wang, Pu-Sheng; Zhou, Xiao-Le; Gong, Liu-Zhu","An organocatalytic asymmetric allylic alkylation allows enantioselective total synthesis of hydroxymetasequirin-a and metasequirin-B tetramethyl ether diacetates.","Organic letters","2014","16","3","976","979","10.1021/ol4037055","","","0.71073","MoKα","","0.0468","0.0335","","","0.0743","0.0811","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513548","9.6305","0.0019","11.802","0.002","13.8","0.003","90","","90","","90","","1568.5","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Li, Xin; Lin, Mao-Hui; Han, Yu; Wang, Feng; Cheng, Jin-Pei","Asymmetric Diels-Alder reaction of 3-olefinic benzofuran-2-ones and polyenals: construction of chiral spirocyclic benzofuran-2-ones.","Organic letters","2014","16","1","114","117","10.1021/ol403094a","","","1.54178","CuKα","","0.0531","0.0497","","","0.1012","0.1033","","","","","","1.215","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513549","8.7505","0.0008","9.3028","0.0007","15.4206","0.0013","90","","90","","90","","1255.3","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Li, Xin; Lin, Mao-Hui; Han, Yu; Wang, Feng; Cheng, Jin-Pei","Asymmetric Diels-Alder reaction of 3-olefinic benzofuran-2-ones and polyenals: construction of chiral spirocyclic benzofuran-2-ones.","Organic letters","2014","16","1","114","117","10.1021/ol403094a","","","0.71073","MoKα","","0.0369","0.0366","","","0.096","0.0962","","","","","","1.145","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513596","8.9413","0.0006","15.7005","0.001","17.7436","0.0011","90","","90","","90","","2490.9","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 F6 Fe N4 O6 S2 -","- C17 H26 F6 Fe N4 O6 S2 -","- C68 H104 F24 Fe4 N16 O24 S8 -","4","1","","Spannring, Peter; Prat, Irene; Costas, Miquel; Lutz, Martin; Bruijnincx, Pieter C. A.; Weckhuysen, Bert. M.; Klein Gebbink, Robertus J. M.","Fe(6-Me-PyTACN)-catalyzed, one-pot oxidative cleavage of methyl oleate and oleic acid into carboxylic acids with H2O2 and NaIO4","Catalysis Science & Technology","2014","4","3","708","","10.1039/c3cy00851g","","","0.71073","MoKα","","0.029","0.025","","","0.0559","0.0576","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513600","9.3603","0.001","17.4152","0.0019","18.206","0.002","90","","90","","90","","2967.8","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 F6 Mn N4 O7 S2 -","- C22 H30 F6 Mn N4 O7 S2 -","- C88 H120 F24 Mn4 N16 O28 S8 -","4","1","","Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E.","Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins","Catalysis Science & Technology","2014","4","1","208","","10.1039/c3cy00528c","","","0.71073","MoKα","","0.0896","0.0814","","","0.1632","0.1661","","","","","","1.294","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513601","9.3527","0.0019","17.384","0.003","18.184","0.004","90","","90","","90","","2956.5","1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 F6 Mn N4 O7 S2 -","- C22 H30 F6 Mn N4 O7 S2 -","- C88 H120 F24 Mn4 N16 O28 S8 -","4","1","","Maity, Nabin Ch.; Kumar Bera, Prasanta; Ghosh, Debashis; Abdi, Sayed H. R.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Bajaj, Hari C.; Suresh, E.","Manganese complexes with non-porphyrin N4 ligands as recyclable catalyst for the asymmetric epoxidation of olefins","Catalysis Science & Technology","2014","4","1","208","","10.1039/c3cy00528c","","","0.71073","MoKα","","0.0843","0.0777","","","0.1693","0.1728","","","","","","1.234","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513626","12.232","0.005","12.893","0.005","23.252","0.005","90","0.005","90","0.005","90","0.005","3667","2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 K N3 Si2 Th -","- C38 H52 K N3 Si2 Th -","- C152 H208 K4 N12 Si8 Th4 -","4","1","","Arnold, Polly L.; Farnaby, Joy H.; White, Rebecca C.; Kaltsoyannis, Nikolas; Gardiner, Michael G.; Love, Jason B.","Switchable π-coordination and C‒H metallation in small-cavity macrocyclic uranium and thorium complexes","Chemical Science","2014","5","2","756","","10.1039/c3sc52072b","","","1.5418","CuKα","","0.0636","0.0617","","","0.1628","0.1645","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513644","6.4922","0.0013","12.393","0.002","17.163","0.003","90","","90","","90","","1380.9","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 B F5 N2 -","- C14 H14 B F5 N2 -","- C56 H56 B4 F20 N8 -","4","1","","Choi, Sohee; Bouffard, Jean; Kim, Youngmi","Aggregation-induced emission enhancement of a meso-trifluoromethyl BODIPY via J-aggregation","Chemical Science","2014","5","2","751","","10.1039/c3sc52495g","","","0.71073","MoKα","","0.1757","0.108","","","0.2822","0.334","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513654","8.9476","0.0018","15.748","0.003","32.247","0.006","90","","90","","90","","4543.8","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H26 F15 Ge N5 O -","- C46 H26 F15 Ge N5 O -","- C184 H104 F60 Ge4 N20 O4 -","4","1","","Fang, Huayi; Ling, Zhen; Lang, Ke; Brothers, Penelope J.; de Bruin, Bas; Fu, Xuefeng","Germanium(iii) corrole complex: reactivity and mechanistic studies of visible-light promoted N‒H bond activations","Chemical Science","2014","5","3","916","","10.1039/c3sc52326h","","","0.71073","MoKα","","0.0606","0.0549","","","0.1192","0.1234","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513666","5.1209","0.0001","13.4823","0.0002","26.8004","0.0005","90","","90","","90","","1850.34","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","RajanBabu 1696","","","- C21 H17 N5 O3 -","- C21 H17 N5 O3 -","- C84 H68 N20 O12 -","4","1","","Wu, Bin; Gallucci, Judith C.; Parquette, Jon R.; RajanBabu, T. V.","Bimetallic catalysis in the highly enantioselective ring‒opening reactions of aziridines","Chemical Science","2014","5","3","1102","","10.1039/c3sc52929k","","x-ray","0.71073","MoKα","","0.0597","0.0373","","","0.065","0.0712","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513735","5.7951","0.0001","12.7103","0.0002","16.8547","0.0003","90","","90","","90","","1241.47","0.04","110","","110","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C5 H4 F6 Li N O7 S2 -","- C5 H4 F6 Li N O7 S2 -","- C20 H16 F24 Li4 N4 O28 S8 -","4","1","","McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.","Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms","Energy & Environmental Science","2014","7","1","416","","10.1039/c3ee42351d","","","0.71073","MoKα","","0.0395","0.0332","","","0.0743","0.077","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513751","5.6471","0.0002","8.0554","0.0004","45.153","0.002","90","","90","","90","","2053.99","0.15","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C96 H100 N4 O20 -","4","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","1.5418","CuKα","","0.0366","0.0339","","","0.0841","0.0862","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513753","5.4293","0.0004","8.998","0.0006","39.35","0.003","90","","90","","90","","1922.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A.","Photooxygenation mechanisms in naproxen-amino acid linked systems.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","2","224","230","10.1039/c3pp50252j","","","0.71073","MoKα","","0.0617","0.0451","","","0.1046","0.1179","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513777","7.238","0.004","11.592","0.006","20.28","0.011","90","","90","","90","","1701.6","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O3 -","- C19 H26 N2 O3 -","- C76 H104 N8 O12 -","4","1","","McLeod, Michael C.; Singh, Gurpreet; Plampin, 3rd, James N; Rane, Digamber; Wang, Jenna L.; Day, Victor W.; Aubé, Jeffrey","Probing chemical space with alkaloid-inspired libraries.","Nature chemistry","2014","6","2","133","140","10.1038/nchem.1844","","","0.71073","MoKα","","0.0486","0.0446","","","0.1039","0.1055","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513788","7.704","0.002","12.588","0.003","26.614","0.007","90","","90","","90","","2581","1.1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N3 O6 S -","- C28 H25 N3 O6 S -","- C112 H100 N12 O24 S4 -","4","1","","Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi","Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.","Nature chemistry","2014","6","1","47","51","10.1038/nchem.1796","","","0.71073","MoKα","","0.0463","0.0451","","","0.1223","0.1235","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513789","10.901","0.002","11.15","0.002","18.652","0.004","90","","90","","90","","2267.1","0.8","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O8 S -","- C22 H23 N3 O8 S -","- C88 H92 N12 O32 S4 -","4","1","","Ohmatsu, Kohsuke; Imagawa, Naomichi; Ooi, Takashi","Ligand-enabled multiple absolute stereocontrol in metal-catalysed cycloaddition for construction of contiguous all-carbon quaternary stereocentres.","Nature chemistry","2014","6","1","47","51","10.1038/nchem.1796","","","0.71073","MoKα","","0.0357","0.0344","","","0.0873","0.0884","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513801","9.6767","0.0007","13.3568","0.001","14.8222","0.0011","90","","90","","90","","1915.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Cl N5 O2 -","- C21 H22 Cl N5 O2 -","- C84 H88 Cl4 N20 O8 -","4","1","","Xu, Renbo; Xia, Rui; Luo, Ming; Xu, Xiaoyong; Cheng, Jiagao; Shao, Xusheng; Li, Zhong","Design, Synthesis, Crystal Structures, and Insecticidal Activities of Eight-Membered Azabridge Neonicotinoid Analogues.","Journal of agricultural and food chemistry","2014","62","2","381","","10.1021/jf4046683","","","0.71073","MoKα","","0.0367","0.0331","","","0.0844","0.087","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513823","11.6577","0.0002","12.319","0.0002","18.3198","0.0003","90","","90","","90","","2630.93","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 O11 -","- C29 H34 O11 -","- C116 H136 O44 -","4","1","","Shi, Yi-Ming; Yang, Jie; Xu, Li; Li, Xiao-Nian; Shang, Shan-Zhai; Cao, Peng; Xiao, Wei-Lie; Sun, Han-Dong","Structural Characterization and Antioxidative Activity of Lancifonins: Unique Nortriterpenoids from Schisandra lancifolia.","Organic letters","2014","16","5","1370","1373","10.1021/ol5001186","","","1.54178","CuKα","","0.0278","0.0277","","","0.0688","0.0689","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513825","8.47047","0.0001","14.19176","0.00018","21.8094","0.0003","90","","90","","90","","2621.73","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 O6 -","- C28 H42 O6 -","- C112 H168 O24 -","4","1","","Xue, Jinghua; Wu, Ping; Xu, Liangxiong; Wei, Xiaoyi","Penicillitone, a Potent in Vitro Anti-inflammatory and Cytotoxic Rearranged Sterol with an Unusual Tetracycle Core Produced by Penicillium purpurogenum.","Organic letters","2014","16","5","1518","1521","10.1021/ol500418f","","","1.54184","CuKα","","0.0318","0.0307","","","0.0783","0.0793","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513830","9.373","0.003","12.818","0.005","27.701","0.011","90","","90","","90","","3328","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H49 I N2 O6 Si2 -","- C28 H49 I N2 O6 Si2 -","- C112 H196 I4 N8 O24 Si8 -","4","1","","Coste, Alexis; Bayle, Alexandre; Marrot, Jérome; Evano, Gwilherm","A Convergent Synthesis of the Fully Elaborated Macrocyclic Core of TMC-95A.","Organic letters","2014","16","5","1306","1309","10.1021/ol403675c","","","0.71073","MoKα","","0.0296","0.0253","","","0.069","0.0793","","","","","","1.273","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513833","8.90819","0.00016","9.29032","0.00017","48.8609","0.0009","90","","90","","90","","4043.72","0.13","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Br I N O -","- C23 H19 Br I N O -","- C184 H152 Br8 I8 N8 O8 -","8","2","","Tabata, Hidetsugu; Kayama, Susumu; Takahashi, Yuka; Tani, Norihiko; Wakamatsu, Shintaro; Tasaka, Tomohiko; Oshitari, Tetsuta; Natsugari, Hideaki; Takahashi, Hideyo","A complete gear system in N-benzoyl-carbazole derivatives.","Organic letters","2014","16","5","1514","1517","10.1021/ol500417t","","","1.54187","CuKα","","","0.0471","","","","0.0856","","","","","","1.268","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513834","9.87619","0.00018","13.817","0.0003","15.2234","0.0003","90","","90","","90","","2077.37","0.07","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Br I N O -","- C23 H19 Br I N O -","- C92 H76 Br4 I4 N4 O4 -","4","1","","Tabata, Hidetsugu; Kayama, Susumu; Takahashi, Yuka; Tani, Norihiko; Wakamatsu, Shintaro; Tasaka, Tomohiko; Oshitari, Tetsuta; Natsugari, Hideaki; Takahashi, Hideyo","A complete gear system in N-benzoyl-carbazole derivatives.","Organic letters","2014","16","5","1514","1517","10.1021/ol500417t","","","1.54187","CuKα","","","0.0392","","","","0.0811","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513865","13.0611","0.0005","16.5349","0.0007","22.6345","0.0009","90","","90","","90","","4888.2","0.3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H51 Cr N3 P3 -","- C45 H51 Cr N3 P3 -","- C180 H204 Cr4 N12 P12 -","4","1","","Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Powers, Tamara M.; Wilding, Matthew J. T.; Brozek, Carl K.; Foxman, Bruce M.; Thomas, Christine M.","A series of C3-symmetric heterobimetallic Cr‒M (M = Fe, Co and Cu) complexes","Chemical Science","2014","5","4","1617","","10.1039/c3sc52943f","","","0.71073","MoKα","","0.0513","0.0385","","0.0874","0.0841","0.0874","","","","","","0.9617","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513871","5.673","0.0011","8.3677","0.0017","31.795","0.006","90","","90","","90","","1509.3","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71073","MoKα","","0.0925","0.0834","","","0.1875","0.1904","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513872","6.6316","0.0013","9.2654","0.0019","26.038","0.005","90","","90","","90","","1599.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 O5 P -","- C17 H17 O5 P -","- C68 H68 O20 P4 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71073","MoKα","","0.0458","0.0397","","","0.0908","0.0962","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513875","16.527","0.003","18.866","0.004","26.157","0.005","90","","90","","90","","8156","3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H66 Cl2 O19 P4 Rh2 -","- C70 H61 Cl2 O19 P4 Rh2 -","- C280 H244 Cl8 O76 P16 Rh8 -","4","1","","Xu, Bin; Zhu, Shou-Fei; Zhang, Zhi-Chao; Yu, Zhi-Xiang; Ma, Yi; Zhou, Qi-Lin","Highly enantioselective S‒H bond insertion cooperatively catalyzed by dirhodium complexes and chiral spiro phosphoric acids","Chemical Science","2014","5","4","1442","","10.1039/c3sc52807c","","","0.71073","MoKα","","0.0514","0.0481","","","0.1192","0.1213","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513909","10.0289","0.0012","11.1264","0.0013","24.23","0.003","90","","90","","90","","2703.7","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","arai39","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C120 H104 N8 O24 S8 -","8","2","","Arai, Takayoshi; Yamamoto, Yushi","Diversity-Oriented Asymmetric Catalysis (DOAC): Stereochemically Divergent Synthesis of Thiochromanes Using an Imidazoline-Aminophenol-Nickel-Catalyzed Michael/Henry Reaction.","Organic letters","2014","16","6","1700","1703","10.1021/ol500361w","","","0.71073","MoKα","","0.0532","0.04","","","0.0915","0.106","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513912","7.8437","0.0015","13.259","0.002","16.12","0.002","90","","90","","90","","1676.5","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Ghavimi, Bahman; Magnus, Philip","Total synthesis of 8,14-dihydromorphinandienone alkaloids.","Organic letters","2014","16","6","1708","1711","10.1021/ol500368p","","","0.71075","MoKα","","0.0302","0.0289","","","0.0745","0.0753","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513916","7.407","0.002","11.2","0.003","17.505","0.005","90","","90","","90","","1452.2","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","","Li, Qiong; Zhang, Shu-Yu; He, Gang; Ai, Zhaoyan; Nack, William A.; Chen, Gong","Copper-catalyzed carboxamide-directed ortho amination of anilines with alkylamines at room temperature.","Organic letters","2014","16","6","1764","1767","10.1021/ol500464x","","","0.71073","MoKα","","0.0542","0.0441","","","0.1114","0.1184","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513918","7.071","0.003","11.759","0.004","17.021","0.006","90","","90","","90","","1415.3","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C60 H64 N16 O8 -","4","1","","Li, Qiong; Zhang, Shu-Yu; He, Gang; Ai, Zhaoyan; Nack, William A.; Chen, Gong","Copper-catalyzed carboxamide-directed ortho amination of anilines with alkylamines at room temperature.","Organic letters","2014","16","6","1764","1767","10.1021/ol500464x","","","0.71073","MoKα","","0.0547","0.046","","","0.11","0.1159","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513931","8.0659","0.0007","8.7522","0.0009","23.942","0.003","90","","90","","90","","1690.2","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 3-(p-chlorobenzoyl)-2-(2,3-dioxo-1H-indol-1-yl)propionate","","- C19 H14 Cl N O5 -","- C19 H14 Cl N O5 -","- C76 H56 Cl4 N4 O20 -","4","1","","Zari, Sergei; Kudrjashova, Marina; Pehk, Tõnis; Lopp, Margus; Kanger, Tõnis","Remote activation of the nucleophilicity of isatin.","Organic letters","2014","16","6","1740","1743","10.1021/ol500421k","","","0.71073","MoKα","","0.0462","0.0383","","","0.0933","0.0978","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513939","8.915","0.0005","11.1839","0.0005","25.103","0.0011","90","","90","","90","","2502.9","0.2","291.31","0.12","291.31","0.12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Br N O5 -","- C29 H24 Br N O5 -","- C116 H96 Br4 N4 O20 -","4","1","","Zhao, Shuai; Lin, Jun-Bing; Zhao, Yuan-Yuan; Liang, Yong-Min; Xu, Peng-Fei","Hydrogen-Bond-Directed Formal [5 + 1] Annulations of Oxindoles with Ester-Linked Bisenones: Facile Access to Chiral Spirooxindole δ-Lactones.","Organic letters","2014","16","6","1802","1805","10.1021/ol500547e","","","0.7107","MoKα","","0.0787","0.0447","","","0.0784","0.0899","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513945","6.5295","0.0006","16.1868","0.0015","22.781","0.002","90","","90","","90","","2407.8","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","13315a","","","- C27 H32 N2 O4 S -","- C27 H32 N2 O4 S -","- C108 H128 N8 O16 S4 -","4","1","","Fang, Li-Chao; Hsung, Richard P.","Stereoselective Synthesis of Isoquinuclidines through an Aza-[4 + 2] Cycloaddition of Chiral Cyclic 2-Amidodienes.","Organic letters","2014","16","6","1826","1829","10.1021/ol500390a","","","1.54178","CuKα","","0.0274","0.025","","","0.0626","0.0638","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514139","6.569","0.008","13.286","0.017","17.05","0.02","90","","90","","90","","1488","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Manna, Madhu Sudan; Mukherjee, Santanu","Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione","Chemical Science","2014","5","4","1627","","10.1039/c3sc53102c","","x-ray","0.71073","MoKα","","0.0696","0.0453","","","0.1209","0.1392","","","","","","0.909","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514140","6.465","0.005","16.927","0.005","29.143","0.005","90","","90","","90","","3189","3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Cl O4 -","- C18 H15 Cl O4 -","- C144 H120 Cl8 O32 -","8","2","","Manna, Madhu Sudan; Mukherjee, Santanu","Remarkable influence of secondary catalyst site on enantioselective desymmetrization of cyclopentenedione","Chemical Science","2014","5","4","1627","","10.1039/c3sc53102c","","","0.71073","MoKα","","0.0477","0.0387","","","0.0872","0.0913","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514174","8.227","0.0007","11.0537","0.0009","18.858","0.013","90","","90","","90","","1714.9","1.2","101.8","","101.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Feng, Yu; Ren, Fengxia; Niu, Shubin; Wang, Lin; Li, Li; Liu, Xingzhong; Che, Yongsheng","Guanacastane Diterpenoids from the Plant Endophytic Fungus Cercospora sp.","Journal of natural products","2014","77","4","873","881","10.1021/np4009688","","","0.7107","MoKα","","0.0527","0.0431","","","0.083","0.087","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514177","4.5279","0.0001","15.4658","0.0003","19.9377","0.0003","90","","90","","90","","1396.19","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang","Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB.","Journal of natural products","2014","77","4","800","806","10.1021/np400880w","","","1.54178","CuKα","","0.0278","0.0255","","","0.0714","0.073","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514179","8.3424","0.0018","11.46","0.002","16.107","0.003","90","","90","","90","","1539.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Li, Hanxiang; Jiang, Jieyi; Liu, Zhaoming; Lin, Shaoe; Xia, Guoping; Xia, Xuekui; Ding, Bo; He, Lei; Lu, Yongjun; She, Zhigang","Peniphenones A-D from the Mangrove Fungus Penicillium dipodomyicola HN4-3A as Inhibitors of Mycobacterium tuberculosis Phosphatase MptpB.","Journal of natural products","2014","77","4","800","806","10.1021/np400880w","","","0.71073","MoKα","","0.0597","0.0408","","","0.0814","0.0887","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514205","6.4163","0.0009","14.742","0.002","21.517","0.003","90","","90","","90","","2035.3","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","","Wang, Sha-Sha; Shi, Yong; Tian, Wei-Sheng","Highly efficient and scalable synthesis of clionamine d.","Organic letters","2014","16","8","2177","2179","10.1021/ol500727c","","","0.71073","MoKα","","0.0898","0.0475","","","0.0996","0.1139","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514207","9.1082","0.0008","9.9885","0.0008","27.957","0.002","90","","90","","90","","2543.5","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H31 N O3 -","- C31 H31 N O3 -","- C124 H124 N4 O12 -","4","1","","Curto, John M; Dickstein, Joshua S; Berritt, Simon; Kozlowski, Marisa C","Asymmetric Synthesis of α-Allyl-α-Aryl α-Amino Acids by Tandem Alkylation/π-Allylation of α-Iminoesters.","Organic letters","2014","16","7","1948","1951","10.1021/ol500506t","","","1.54178","CuKα","","0.0232","0.0229","","","0.0576","0.0579","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514223","10.1035","0.0004","10.4542","0.0005","15.8794","0.0007","90","","90","","90","","1677.25","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Li, Xu-Yang; Yang, Yuan-Feng; Peng, Xing-Rong; Li, Ming-Ming; Li, Liang-Qun; Deng, Xu; Qin, Hong-Bo; Liu, Jie-Qing; Qiu, Ming-Hua","One-step semisynthesis method of spirocurcasone and pyracurcasone from curcusones a and B.","Organic letters","2014","16","8","2196","2199","10.1021/ol500692j","","","1.54178","CuKα","","0.0428","0.0428","","","0.1179","0.1179","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514224","10.067","0.0002","10.4909","0.0003","15.8591","0.0004","90","","90","","90","","1674.91","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Li, Xu-Yang; Yang, Yuan-Feng; Peng, Xing-Rong; Li, Ming-Ming; Li, Liang-Qun; Deng, Xu; Qin, Hong-Bo; Liu, Jie-Qing; Qiu, Ming-Hua","One-step semisynthesis method of spirocurcasone and pyracurcasone from curcusones a and B.","Organic letters","2014","16","8","2196","2199","10.1021/ol500692j","","","1.54178","CuKα","","0.031","0.0301","","","0.0845","0.0939","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514245","6.327","0.002","7.943","0.003","14.558","0.007","90","","90","","90","","731.6","0.5","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","HTDI","","- C6 H F3 N4 -","- C6 H F3 N4 -","- C24 H4 F12 N16 -","4","1","","McOwen, Dennis W.; Delp, Samuel A.; Paillard, Elie; Herriot, Cristelle; Han, Sang-Don; Boyle, Paul D.; Sommer, Roger D.; Henderson, Wesley A.","Anion Coordination Interactions in Solvates with the Lithium Salts LiDCTA and LiTDI","The Journal of Physical Chemistry C","2014","118","15","7781","","10.1021/jp412601x","","","0.71073","MoKα","","0.0376","0.0326","","","0.0794","0.0817","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514262","10.48171","0.00011","13.11257","0.00016","30.7357","0.0004","90","","90","","90","","4224.38","0.09","99.3","","99.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C176 H272 O40 -","8","2","","Li, Hui; Li, Man-Man; Su, Xiao-Qin; Sun, Jing; Gu, Yu-Fan; Zeng, Ke-Wu; Zhang, Qian; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Li, Jun; Tu, Peng-Fei","Anti-inflammatory Labdane Diterpenoids from Lagopsis supina.","Journal of natural products","2014","77","4","1047","1053","10.1021/np5001329","","","1.5418","CuKα","","0.0372","0.0357","","","0.0911","0.0925","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514279","5.6981","0.0007","8.6185","0.0007","32.841","0.007","90","","90","","90","","1612.8","0.4","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","","Rawling, Michael J.; Rowley, Julian H.; Campbell, Matthew; Kennedy, Alan R.; Parkinson, John A.; Tomkinson, Nicholas C. O.","Mechanistic insights into the malonoyl peroxide syn-dihydroxylation of alkenes","Chemical Science","2014","5","5","1777","","10.1039/c3sc53256a","","","1.5418","CuKα","","0.0786","0.0626","","","0.1561","0.1667","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514284","13.2528","0.0002","14.7365","0.0002","18.3823","0.0003","90","","90","","90","","3590.06","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H31 Cl4 N O2 Pt S -","- C41 H31 Cl4 N O2 Pt S -","- C164 H124 Cl16 N4 O8 Pt4 S4 -","4","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.031","0.027","","","0.0719","0.0729","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514287","17.2805","0.0002","17.2812","0.0002","12.5128","0.0002","90","","90","","90","","3736.67","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H33 Cl5 N2 O2 Pt2 S2 -","- C37 H33 Cl5 N2 O2 Pt2 S2 -","- C148 H132 Cl20 N8 O8 Pt8 S8 -","4","1","","Shen, Chengshuo; Anger, Emmanuel; Srebro, Monika; Vanthuyne, Nicolas; Deol, Kirandeep K.; Jefferson, Jr, Truman D; Muller, Gilles; Gareth Williams, J. A.; Toupet, Loïc; Roussel, Christian; Autschbach, Jochen; Réau, Régis; Crassous, Jeanne","Straightforward access to mono- and bis-cycloplatinated helicenes that display circularly polarized phosphorescence using crystallization resolution methods.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1915","1927","10.1039/C3SC53442A","","","0.71073","MoKα","","0.0509","0.0312","","","0.0397","0.0415","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514293","11.5495","0.0011","21.268","0.002","28.17","0.003","90","","90","","90","","6919.5","1.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H62 Al Co N2 O8 -","- C66 H62 Al Co N2 O8 -","- C264 H248 Al4 Co4 N8 O32 -","4","1","","Mulzer, Michael; Ellis, W. Chadwick; Lobkovsky, Emil B.; Coates, Geoffrey W.","Enantioenriched β-lactone and aldol-type products from regiodivergent carbonylation of racemic cis-epoxides","Chemical Science","2014","5","5","1928","","10.1039/c4sc00075g","","","0.71073","MoKα","","0.0864","0.0576","","","0.137","0.1481","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514306","5.3717","0.0003","18.0674","0.0008","29.3071","0.001","90","","90","","90","","2844.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C120 H120 Br8 O32 -","8","2","","Johnston, Ryne C.; Cohen, Daniel T.; Eichman, Chad C.; Scheidt, Karl A.; Cheong, Paul Ha-Yeon","Catalytic Kinetic Resolution of a Dynamic Racemate: Highly Stereoselective β-Lactone Formation by N-Heterocyclic Carbene Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1974","1982","10.1039/C4SC00317A","","","1.54178","CuKα","","0.0868","0.056","","","0.136","0.1556","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514307","5.4193","0.0003","9.4004","0.0005","28.084","0.0014","90","","90","","90","","1430.7","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C60 H60 Br4 O16 -","4","1","","Johnston, Ryne C.; Cohen, Daniel T.; Eichman, Chad C.; Scheidt, Karl A.; Cheong, Paul Ha-Yeon","Catalytic Kinetic Resolution of a Dynamic Racemate: Highly Stereoselective β-Lactone Formation by N-Heterocyclic Carbene Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","5","1974","1982","10.1039/C4SC00317A","","","0.71073","MoKα","","0.0509","0.0337","","","0.083","0.0962","","","","","","0.584","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514316","14.7131","0.0016","16.7493","0.0018","27.433","0.003","90","","90","","90","","6760.4","1.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","none","","","- C38 H37 F N3 O4 S Sb -","- C38 H37 F N3 O4 S Sb -","- C304 H296 F8 N24 O32 S8 Sb8 -","8","2","","Hirai, Masato; Gabbaï, François P.","Lewis acidic stiborafluorenes for the fluorescence turn-on sensing of fluoride in drinking water at ppm concentrations","Chemical Science","2014","5","5","1886","","10.1039/c4sc00343h","","","0.71073","MoKα","","0.049","0.0391","","","0.0908","0.0957","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514334","13.5145","0.0004","22.4036","0.0007","22.9937","0.0008","90","","90","","90","","6961.9","0.4","200","1","200","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 I N O3 Si -","- C18 H34 I N O3 Si -","- C216 H408 I12 N12 O36 Si12 -","12","3","","Echeverria, Pierre-Georges; Prévost, Sébastien; Cornil, Johan; Férard, Charlène; Reymond, Sébastien; Guérinot, Amandine; Cossy, Janine; Ratovelomanana-Vidal, Virginie; Phansavath, Phannarath","Synthetic Strategy toward the C44-C65 Fragment of Mirabalin.","Organic letters","2014","16","9","2390","2393","10.1021/ol500720j","","","1.54178","CuKα","","0.1523","0.1146","","","0.2809","0.3152","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514338","10.1293","0.0009","10.9916","0.001","16.069","0.0015","90","","90","","90","","1789.1","0.3","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 N O3 -","- C16 H31 N O3 -","- C64 H124 N4 O12 -","4","1","","Beveridge, Ramsay E.; Batey, Robert A.","An Organotrifluoroborate-Based Convergent Total Synthesis of the Potent Cancer Cell Growth Inhibitory Depsipeptides Kitastatin and Respirantin.","Organic letters","2014","16","9","2322","2325","10.1021/ol500484f","","","0.71073","MoKα","","0.0421","0.0341","","","0.0784","0.0825","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514342","10.4173","0.0002","12.2196","0.0002","29.6743","0.0006","90","","90","","90","","3777.4","0.12","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 O4.5 -","- C20 H33 O4.5 -","- C160 H264 O36 -","8","2","","Liu, Cui-Ping; Xu, Jin-Biao; Zhao, Jin-Xin; Xu, Cheng-Hui; Dong, Lei; Ding, Jian; Yue, Jian-Min","Diterpenoids from Croton laui and Their Cytotoxic and Antimicrobial Activities.","Journal of natural products","2014","77","4","1013","1020","10.1021/np500042c","","","1.54178","CuKα","","0.0421","0.0395","","","0.1065","0.1087","","","","","","1.04","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514345","9.6196","0.0005","14.4057","0.0012","17.108","0.009","90","","90","","90","","2370.8","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br N2 O7 -","- C24 H23 Br N2 O7 -","- C96 H92 Br4 N8 O28 -","4","1","","Zhao, Yong-Long; Wang, Yao; Cao, Jian; Liang, Yong-Min; Xu, Peng-Fei","Organocatalytic Asymmetric Michael-Michael Cascade for the Construction of Highly Functionalized N-Fused Piperidinoindoline Derivatives.","Organic letters","2014","16","9","2438","2441","10.1021/ol5008185","","","0.71","MoKα","","0.0919","0.053","","","0.0798","0.0985","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514348","12.1923","0.0005","18.8559","0.0008","24.0835","0.001","90","","90","","90","","5536.7","0.4","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H78 N2 O17 -","- C56 H78 N2 O17 -","- C224 H312 N8 O68 -","4","1","","Yu, Guocan; Hua, Bin; Han, Chengyou","Proton Transfer in Host-Guest Complexation between a Difunctional Pillar[5]arene and Alkyldiamines.","Organic letters","2014","16","9","2486","2489","10.1021/ol500857w","","","0.71073","MoKα","","0.0523","0.0397","","","0.0912","0.0981","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514353","9.3781","0.0002","12.6568","0.0003","27.0482","0.0006","90","","90","","90","","3210.53","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 O4 -","- C34 H54 O4 -","- C136 H216 O16 -","4","1","","Yang, Xing-Wei; Ding, Yuanqing; Zhang, Jing-Jing; Liu, Xia; Yang, Li-Xin; Li, Xiao-Nian; Ferreira, Daneel; Walker, Larry A.; Xu, Gang","New Acylphloroglucinol Derivatives with Diverse Architectures from Hypericum henryi.","Organic letters","2014","16","9","2434","2437","10.1021/ol500808p","","","1.54178","CuKα","","0.0798","0.0794","","","0.2097","0.2106","","","","","","1.186","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514364","10.2134","0.0009","15.7979","0.0016","24.297","0.003","90","","90","","90","","3920.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H57 N5 O9 -","- C36 H57 N5 O9 -","- C144 H228 N20 O36 -","4","1","","Du, Feng-Yu; Zhang, Peng; Li, Xiao-Ming; Li, Chun-Shun; Cui, Chuan-Ming; Wang, Bin-Gui","Cyclohexadepsipeptides of the Isaridin Class from the Marine-Derived Fungus Beauveria felina EN-135.","Journal of natural products","2014","77","5","1164","","10.1021/np4011037","","","1.54178","CuKα","","0.2507","0.1008","","","0.1984","0.326","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514365","9.3052","0.0006","17.0969","0.0011","23.5305","0.0015","90","","90","","90","","3743.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H55 N5 O8 -","- C35 H55 N5 O8 -","- C140 H220 N20 O32 -","4","1","","Du, Feng-Yu; Zhang, Peng; Li, Xiao-Ming; Li, Chun-Shun; Cui, Chuan-Ming; Wang, Bin-Gui","Cyclohexadepsipeptides of the Isaridin Class from the Marine-Derived Fungus Beauveria felina EN-135.","Journal of natural products","2014","77","5","1164","","10.1021/np4011037","","","1.54178","CuKα","","0.1172","0.069","","","0.1566","0.195","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514393","5.1885","0.001","14.53","0.003","19.501","0.004","90","","90","","90","","1470.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl N O -","- C16 H20 Cl N O -","- C64 H80 Cl4 N4 O4 -","4","1","","Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D.","Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams","Chemical Science","2013","4","2","622","","10.1039/c2sc21240d","","x-ray","0.71073","MoKα","","0.0309","0.0273","","","0.0629","0.0648","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514394","7.8652","0.0018","13.56","0.003","19.207","0.004","90","","90","","90","","2048.5","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Cl N O4 -","- C24 H18 Cl N O4 -","- C96 H72 Cl4 N4 O16 -","4","1","","Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D.","Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams","Chemical Science","2013","4","2","622","","10.1039/c2sc21240d","","x-ray","0.71073","MoKα","","0.0357","0.0285","","","0.0599","0.0636","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514468","12.6611","0.0001","19.0777","0.0001","47.5848","0.0004","90","","90","","90","","11493.8","0.15","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C108 H116 Br6 Co4 N11 O16 -","- C108 H116 Br6 Co4 N11 O16 -","- C432 H464 Br24 Co16 N44 O64 -","4","1","","Zhu, Yuan-Yuan; Cui, Chang; Zhang, Yi-Quan; Jia, Jun-Hua; Guo, Xiao; Gao, Chen; Qian, Kang; Jiang, Shang-Da; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Zero-field slow magnetic relaxation from single Co(ii) ion: a transition metal single-molecule magnet with high anisotropy barrier","Chemical Science","2013","4","4","1802","","10.1039/c3sc21893g","","","0.71073","MoKα","","0.0681","0.045","","","0.1016","0.1078","","","","","","0.971","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1514506","8.6182","0.0001","12.4254","0.0001","20.8694","0.0002","90","","90","","90","","2234.79","0.04","150","","150","","","","","","","","synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br N2 O2 S -","- C26 H19 Br N2 O2 S -","- C104 H76 Br4 N8 O8 S4 -","4","1","","Li, Meiling; Woods, Philip A.; Smith, Martin D.","Cation-directed enantioselective synthesis of quaternary-substituted indolenines","Chemical Science","2013","4","7","2907","","10.1039/c3sc50592h","","","0.71073","MoKα","","0.0522","0.0419","","0.0804","0.0752","0.0804","","","","","","0.9781","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514511","11.3881","0.001","13.7611","0.0013","15.9461","0.0016","90","","90","","90","","2499","0.4","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O6 -","- C28 H40 O6 -","- C112 H160 O24 -","4","1","","Liffert, Raphael; Hoecker, Johannes; Jana, Chandan K.; Woods, Tom M.; Burch, Patrick; Jessen, Henning J.; Neuburger, Markus; Gademann, Karl","Withanolide A: synthesis and structural requirements for neurite outgrowth","Chemical Science","2013","4","7","2851","","10.1039/c3sc50653c","","","0.71073","MoKα","","0.0593","0.0394","","0.0673","0.0419","0.0405","","","","","","1.1096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514512","6.4731","0.0003","9.867","0.0004","41.104","0.0018","90","","90","","90","","2625.3","0.2","173.2","","173.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Br2 N O4 -","- C27 H29 Br2 N O4 -","- C108 H116 Br8 N4 O16 -","4","1","","Wang, Hengbin; Guptill, David M.; Alvarez, Adrian Varela; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-catalyzed enantioselective cyclopropanation of electron deficient alkenes.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2844","2850","10.1039/C3SC50425E","","","0.71073","MoKα","","0.0782","0.0687","","","0.1594","0.1629","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514513","6.0402","0.0002","15.4144","0.0004","20.729","0.0008","90","","90","","90","","1930","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O4 -","- C21 H21 Br O4 -","- C84 H84 Br4 O16 -","4","1","","Wang, Hengbin; Guptill, David M.; Alvarez, Adrian Varela; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-catalyzed enantioselective cyclopropanation of electron deficient alkenes.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2844","2850","10.1039/C3SC50425E","","","0.71073","MoKα","","0.0604","0.0382","","","0.0837","0.0916","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514533","6.939","0.004","18.9","0.009","19.529","0.011","90","","90","","90","","2561","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br2 N O6 -","- C27 H23 Br2 N O6 -","- C108 H92 Br8 N4 O24 -","4","1","","Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier","Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates","Chemical Science","2013","4","10","3857","","10.1039/c3sc51658j","","","0.71073","MoKα","","0.2205","0.0951","","","0.1869","0.2325","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514535","10.4149","0.0008","13.7246","0.0011","24.603","0.0019","90","","90","","90","","3516.8","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H60 O6 -","- C37 H59.6 O6 -","- C148 H238.4 O24 -","4","1","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","0.71073","MoKα","","0.0769","0.0516","","","0.1289","0.1432","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514537","9.3808","0.0007","13.5353","0.0011","32.994","0.003","90","","90","","90","","4189.3","0.6","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H71 Cl O5 Si -","- C41 H71 Cl O5 Si -","- C164 H284 Cl4 O20 Si4 -","4","1","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","0.71073","MoKα","","0.0465","0.0375","","","0.0899","0.0942","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514540","13.207","0.001","17.694","0.0014","21.9242","0.0017","90","","90","","90","","5123.3","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H77 N5 Ni -","- C56 H77 N5 Ni -","- C224 H308 N20 Ni4 -","4","1","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.0479","0.0428","","","0.0963","0.0984","","","","","","1.013","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514544","7.8057","0.0005","10.1854","0.0007","23.4262","0.0017","90","","90","","90","","1862.5","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl2 O4 -","- C19 H20 Cl2 O4 -","- C76 H80 Cl8 O16 -","4","1","","Hussain, Nusrah; Hussain, Mahmud M.; Carroll, Patrick J.; Walsh, Patrick J.","Chemo- and diastereoselective tandem dual oxidation of B(pin)-substituted allylic alcohols: synthesis of B(pin)-substituted epoxy alcohols, 2-keto-anti-1,3-diols and dihydroxy-tetrahydrofuran-3-ones","Chemical Science","2013","4","10","3946","","10.1039/c3sc51616d","","","0.71073","MoKα","","0.0601","0.0541","","","0.1496","0.154","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514552","10.7843","0.0001","14.0454","0.0002","19.3783","0.0002","90","","90","","90","","2935.23","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","RajanBabu 1913","","","- C29 H40 O9 Si -","- C29 H40 O9 Si -","- C116 H160 O36 Si4 -","4","1","","Gong, Wei; RajanBabu, T. V.","Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes","Chemical Science","2013","4","10","3979","","10.1039/c3sc51751a","","x-ray","0.71073","MoKα","","0.0457","0.0345","","","0.0751","0.0801","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514575","12.6878","0.0005","21.9927","0.0009","22.9089","0.001","90","","90","","90","","6392.5","0.5","120","1","120","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 Ce N O P4 Se8 -","- C60 H68 Ce N O P4 Se8 -","- C240 H272 Ce4 N4 O4 P16 Se32 -","4","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0341","0.0269","","","0.0461","0.0479","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514576","12.7053","0.0012","21.997","0.002","22.902","0.002","90","","90","","90","","6400.6","1","141","2","141","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 N O P4 Pu Se8 -","- C60 H68 N O P4 Pu Se8 -","- C240 H272 N4 O4 P16 Pu4 Se32 -","4","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0338","0.0261","","","0.0448","0.0464","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514582","11.118","0.003","16.129","0.005","26.837","0.008","90","","90","","90","","4812","2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C224 H224 N16 O32 -","8","2","","Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi","Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway","Chemical Science","2013","4","3","1308","","10.1039/c2sc22027j","","","0.71073","MoKα","","0.1417","0.0911","","","0.1854","0.2129","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514583","6.8101","0.0003","9.5015","0.0004","21.2601","0.0005","90","","90","","90","","1375.66","0.09","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H18 Ca N O8 P -","- C7 H18 Ca N O8 P -","- C28 H72 Ca4 N4 O32 P4 -","4","1","","Liang, Xiaoqiang; Zhang, Feng; Feng, Wei; Zou, Xiaoqin; Zhao, Chengji; Na, Hui; Liu, Cong; Sun, Fuxing; Zhu, Guangshan","From metal‒organic framework (MOF) to MOF‒polymer composite membrane: enhancement of low-humidity proton conductivity","Chemical Science","2013","4","3","983","","10.1039/c2sc21927a","","","0.71073","MoKα","","0.072","0.0576","","","0.105","0.1072","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514585","12.0547","0.0006","14.2387","0.0007","20.0505","0.0011","90","","90","","90","","3441.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","((IPr)AuNHiPr2)(BF4)","","","- C33 H51 Au B F4 N3 -","- C33 H51 Au B F4 N3 -","- C132 H204 Au4 B4 F16 N12 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0122","0.0118","","","0.0285","0.0286","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514619","10.8296","0.0002","22.4623","0.0002","24.9069","0.0003","90","","90","","90","","6058.8","0.14","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H88 Mg2 N4 O3 -","- C65 H88 Mg2 N4 O3 -","- C260 H352 Mg8 N16 O12 -","4","1","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","1.54184","CuKα","","0.0286","0.0283","","","0.073","0.0732","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514661","11.8916","0.0003","15.4391","0.0004","17.7101","0.0005","90","","90","","90","","3251.5","0.15","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H30 Br3 N O4 S -","- C34 H30 Br3 N O4 S -","- C136 H120 Br12 N4 O16 S4 -","4","1","","Chen, Xingkuan; Fang, Xinqiang; Chi, Yonggui Robin","cis-Enals in N-heterocyclic carbene-catalyzed reactions: distinct stereoselectivity and reactivity","Chemical Science","2013","4","6","2613","","10.1039/c3sc50666e","","","0.71073","MoKα","","0.0997","0.0493","","","0.103","0.1378","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514662","8.5561","0.0012","28.71","0.004","29.726","0.004","90","","90","","90","","7302.1","1.7","173.2","","173.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 Cl6 Ir N2 O3 -","- C32 H37 Cl6 Ir N2 O3 -","- C256 H296 Cl48 Ir8 N16 O24 -","8","2","","Owens, Clayton P.; Varela-Álvarez, Adrián; Boyarskikh, Vyacheslav; Musaev, Djamaladdin G.; Davies, Huw M. L.; Blakey, Simon B.","Iridium(iii)-bis(oxazolinyl)phenyl catalysts for enantioselective C‒H functionalization","Chemical Science","2013","4","6","2590","","10.1039/c3sc50886b","","","0.71073","MoKα","","0.0558","0.0465","","","0.1062","0.1102","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514678","6.2501","0.0001","10.0275","0.0002","30.1617","0.0007","90","","90","","90","","1890.32","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Cl3 I N O -","- C18 H15 Cl3 I N O -","- C72 H60 Cl12 I4 N4 O4 -","4","1","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","0.71073","MoKα","","0.0241","0.0206","","","0.0371","0.0378","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514680","9.9921","0.0004","17.5041","0.0006","18.6434","0.0007","90","","90","","90","","3260.8","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl4 F I N O -","- C12 H11 Cl4 F I N O -","- C96 H88 Cl32 F8 I8 N8 O8 -","8","2","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","1.54178","CuKα","","0.0678","0.056","","","0.1359","0.1442","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514681","11.2235","0.0016","11.7597","0.0017","20.531","0.003","90","","90","","90","","2709.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Cl3 N2 O -","- C13 H11 Cl3 N2 O -","- C104 H88 Cl24 N16 O8 -","8","2","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","0.71073","MoKα","","0.0386","0.0298","","","0.0578","0.0608","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514682","11.741","0.003","12.62","0.003","15.891","0.004","90","","90","","90","","2354.6","1","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Cl N2 O S -","- C28 H27 Cl N2 O S -","- C112 H108 Cl4 N8 O4 S4 -","4","1","","Robinson, Emily R. T.; Fallan, Charlene; Simal, Carmen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Anhydrides as α,β-unsaturated acyl ammonium precursors: isothiourea-promoted catalytic asymmetric annulation processes","Chemical Science","2013","4","5","2193","","10.1039/c3sc50199j","","","0.71075","MoKα","","","0.0499","","","","0.1148","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514700","8.2536","0.0003","12.3017","0.0005","17.9593","0.0007","90","","90","","90","","1823.47","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-tert-Butyl-2-cyano-2-((1R,3S)-3-hydroxycyclohexyl)-2-phenylacetate","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0343","0.025","","","0.0637","0.064","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514738","11.948","0.0006","15.878","0.0008","24.9404","0.0011","90","","90","","90","","4731.5","0.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H77 N2 Na O3 Zn -","- C47 H77 N2 Na O3 Zn -","- C188 H308 N8 Na4 O12 Zn4 -","4","1","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","0.71073","MoKα","","0.0928","0.0557","","","0.0895","0.101","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514745","7.934","0.002","10.719","0.003","18.419","0.005","90","","90","","90","","1566.4","0.7","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 S -","- C19 H20 N2 S -","- C76 H80 N8 S4 -","4","1","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","0.71075","MoKα","","","0.0482","","","","0.1333","","","","","","0.661","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514759","7.7537","0.0002","8.7833","0.0003","28.0793","0.001","90","","90","","90","","1912.29","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 I2 O2 -","- C18 H18 I2 O2 -","- C72 H72 I8 O8 -","4","1","","Gómez-Bengoa, Enrique; García, Jesús M.; Jiménez, Sandra; Lapuerta, Irati; Mielgo, Antonia; Odriozola, José M.; Otazo, Itziar; Razkin, Jesús; Urruzuno, Iñaki; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio","Asymmetric synthesis of propargylic alcohols via aldol reaction of aldehydes with ynals promoted by prolinol ether‒transition metal‒Brønsted acid cooperative catalysis","Chemical Science","2013","4","8","3198","","10.1039/c3sc51027a","","","0.71073","MoKα","","0.0235","0.0204","","","0.0485","0.0659","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514763","15.7224","0.0003","20.2138","0.0004","25.7426","0.0006","90","","90","","90","","8181.2","0.3","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","((Bicyclo[2.2.1]hepta-2,5-diene)((R)-bis-2,2'-(diphenylphosphino)-1,1' -binaphthalene)rhodium)((S,S)-bis-(1,1'-binaphthalen-2,2'-dioxo)boronate).","","- C98 H80 B Cl6 O5 P2 Rh -","- C98 H80 B Cl6 O5 P2 Rh -","- C392 H320 B4 Cl24 O20 P8 Rh4 -","4","1","","Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.","Chiral recognition in contact ion-pairs; observation, characterization and analysis","Chemical Science","2013","4","8","3140","","10.1039/c3sc51096d","","","0.71073","MoKα","","0.1012","0.055","","0.104","0.0578","0.0578","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514776","9.7839","0.0004","16.5231","0.0008","24.2524","0.0012","90","","90","","90","","3920.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 Cl2 N4 O7 S Si -","- C38 H42 Cl2 N4 O7 S Si -","- C152 H168 Cl8 N16 O28 S4 Si4 -","4","1","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.0544","0.0485","","","0.1186","0.1218","","","","","","1.1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514793","6.4122","0.0019","12.077","0.004","16.676","0.005","90","","90","","90","","1291.4","0.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Ozaki, Kyohei; Zhang, Hua; Ito, Hideto; Lei, Aiwen; Itami, Kenichiro","One-shot indole-to-carbazole π-extension by a Pd‒Cu‒Ag trimetallic system","Chemical Science","2013","4","9","3416","","10.1039/c3sc51447a","","","0.7107","MoKα","","0.0538","0.0477","","","0.0909","0.0942","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514797","7.6678","0.001","13.5683","0.0018","14.958","0.002","90","","90","","90","","1556.2","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","toste70","toste70","","- C14 H17 Br N2 O4 S -","- C14 H17 Br N2 O4 S -","- C56 H68 Br4 N8 O16 S4 -","4","1","","Miles, Dillon H.; Veguillas, Marcos; Toste, F. Dean","Gold(i)-catalyzed enantioselective bromocyclization reactions of allenes","Chemical Science","2013","4","9","3427","","10.1039/c3sc50811k","","","1.54178","CuKα","","0.0159","0.0159","","","0.0411","0.0411","","","","","","1.183","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1514849","8.4525","0.0004","15.486","0.001","46.184","0.003","90","","90","","90","","6045.3","0.6","100","2","100","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24.5 H33 Cl N4 O8 Pd2 S2 -","- C24.5 H33 Cl N4 O8 Pd2 S2 -","- C196 H264 Cl8 N32 O64 Pd16 S16 -","8","2","","Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C.","Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives","Chemical Science","2013","4","1","175","","10.1039/c2sc21162a","","x-ray","0.7107","MoKα","","0.1042","0.0713","","","0.1441","0.1588","","","","","","1.065","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1514850","9.8306","0.0005","17.0929","0.0008","24.3215","0.0012","90","","90","","90","","4086.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O6 S -","- C19 H24 N2 O6 S -","- C152 H192 N16 O48 S8 -","8","2","","Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C.","Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives","Chemical Science","2013","4","1","175","","10.1039/c2sc21162a","","","1.54178","CuKα","","0.0753","0.0546","","","0.1401","0.1548","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514875","9.807","0.002","10.079","0.002","29.603","0.006","90","","90","","90","","2926.1","1","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H27 N7 -","- C36 H27 N7 -","- C144 H108 N28 -","4","1","","Bahrenburg, Julia; Sievers, Claudia M.; Schönborn, Jan Boyke; Hartke, Bernd; Renth, Falk; Temps, Friedrich; Näther, Christian; Sönnichsen, Frank D","Photochemical properties of multi-azobenzene compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2013","12","3","511","518","10.1039/c2pp25291k","","","0.71073","MoKα","","0.0464","0.0337","","","0.0782","0.0838","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514904","7.35356","0.00014","22.3698","0.0004","28.078","0.0006","90","","90","","90","","4618.77","0.16","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 Na O7 S -","- C22 H33 Na O7 S -","- C176 H264 Na8 O56 S8 -","8","2","","Zhang, Tao; Wu, Ya; Gao, Lihong; Song, Zhongtai; Zhao, Li; Zhang, Yunxiao; Tao, Jingchao","A novel Na+ coordination mediated supramolecular organogel based on isosteviol: water-assisted self-assembly, in situ forming and selective gelation abilities","Soft Matter","2013","9","3","638","","10.1039/c2sm27062e","","","1.5418","CuKα","","0.065","0.0601","","","0.1561","0.1604","","","","","","1.001","","","","has coordinates,has disorder","282761","2023-04-20","06:45:55",""
"1514909","7.9153","0.0002","10.9871","0.0003","21.5221","0.0005","90","","90","","90","","1871.7","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N6 O9 S Zn -","- C12 H20 N6 O9 S Zn -","- C48 H80 N24 O36 S4 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Fonari, Marina S.","Mechanism of Nonlinear Optical Enhancement and Supramolecular Isomerism in 1D Polymeric Zn(II) and Cd(II) Sulfates with Pyridine-4-aldoxime Ligands","The Journal of Physical Chemistry C","2014","118","17","9217","","10.1021/jp5007395","","","0.71073","MoKα","","0.0392","0.0336","","","0.0723","0.0768","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514944","8.6711","0.0003","9.4306","0.0004","29.5986","0.0013","90","","90","","90","","2420.39","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 F3 N2 O4 -","- C26 H25 F3 N2 O4 -","- C104 H100 F12 N8 O16 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","0.71073","MoKα","","0.1087","0.0835","","0.2219","0.1962","0.2218","","","","","","0.9893","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514947","9.3165","0.0001","14.3322","0.0001","19.705","0.0001","90","","90","","90","","2631.13","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 N O4 S -","- C32 H29 N O4 S -","- C128 H116 N4 O16 S4 -","4","1","","Maciver, Eleanor E.; Knipe, Peter C.; Cridland, Andrew P.; Thompson, Amber L.; Smith, Martin D.","Catalytic enantioselective electrocyclic cascades","Chemical Science","2012","3","2","537","","10.1039/c1sc00697e","","","1.5418","CuKα","","0.0239","0.0237","","0.0621","0.0619","0.0621","","","","","","1.0057","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514963","10.064","0.0004","11.6546","0.0005","12.3944","0.0006","90","","90","","90","","1453.76","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-bis(5-methylpyrazol-3-yl)pyridine methanol solvate","","- C14 H17 N5 O -","- C14 H17 N5 O -","- C56 H68 N20 O4 -","4","1","","Roberts, Thomas D.; Tuna, Floriana; Malkin, Tamsin L.; Kilner, Colin A.; Halcrow, Malcolm A.","An iron(ii) complex exhibiting five anhydrous phases, two of which interconvert by spin-crossover with wide hysteresis","Chemical Science","2012","3","2","349","","10.1039/c1sc00584g","","","0.71073","MoKα","","0.0759","0.0646","","","0.1704","0.1836","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514976","7.95486","0.00005","10.00542","0.00006","20.80472","0.00017","90","","90","","90","","1655.88","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-Ethyl (2R,4S-dinitro-3R-phenyl-1S-cyclohexyl) acetate","","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","- C64 H80 N8 O24 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.5418","CuKα","","0.0214","0.0211","","","0.0559","0.0562","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514977","5.5811","0.0005","12.5943","0.0015","26.723","0.004","90","","90","","90","","1878.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2(R)-[3(R)-(4'-methoxy-phenyl)-2(R),4(S)-dinitro-1(R)cyclohexyl] propanoate","","- C18 H24 N2 O7 -","- C18 H24 N2 O7 -","- C72 H96 N8 O28 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Brown, Geoffrey D.; Cobb, Alexander J. A.","Organocatalytic enantioselective construction of nitrocyclohexanes containing multiple chiral centres via a cascade reaction","Chemical Science","2012","3","2","584","","10.1039/c1sc00592h","","","1.54184","CuKα","","0.0992","0.0512","","","0.0983","0.1169","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514986","10.6948","0.0001","14.0253","0.0002","18.4358","0.0002","90","","90","","90","","2765.33","0.06","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1763","","","- C28 H35 N O7 Si -","- C28 H35 N O7 Si -","- C112 H140 N4 O28 Si4 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0451","0.0397","","","0.0956","0.0978","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514988","10.1179","0.0001","13.7992","0.0001","21.5342","0.0002","90","","90","","90","","3006.58","0.05","210","2","210","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1842","","","- C29 H37 N O8 Si -","- C29 H37 N O8 Si -","- C116 H148 N4 O32 Si4 -","4","1","","Gong, Wei; Singidi, Ramakrishna Reddy; Gallucci, Judith C.; RajanBabu, T. V.","On the stereochemistry of acetylide additions to highly functionalized biphenylcarbaldehydes and multi-component cyclization of 1,n-diynes. Syntheses of dibenzocyclooctadiene lignans","Chemical Science","2012","3","4","1221","","10.1039/c2sc00920j","","x-ray","0.71073","MoKα","","0.0609","0.0395","","","0.0878","0.0958","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515044","9.5107","0.0004","10.1897","0.0005","27.7823","0.0013","90","","90","","90","","2692.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl N3 O5 -","- C29 H26 Cl N3 O5 -","- C116 H104 Cl4 N12 O20 -","4","1","","Zhong, Fangrui; Han, Xiaoyu; Wang, Youqing; Lu, Yixin","Highly enantioselective [4 + 2] annulations catalyzed by amino acid-based phosphines: Synthesis of functionalized cyclohexenes and 3-spirocyclohexene-2-oxindoles","Chemical Science","2012","3","4","1231","","10.1039/c2sc00963c","","","0.71073","MoKα","","0.051","0.0466","","","0.1076","0.1099","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515064","15.6077","0.0013","24.196","0.002","38.766","0.003","90","","90","","90","","14640","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C101.5 H146.5 O96 Pb14 -","- C102 H135 O96 Pb14 -","- C408 H540 O384 Pb56 -","4","1","","Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng","Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties","Chemical Science","2012","3","7","2282","","10.1039/c2sc20187a","","","0.71073","MoKα","","0.0344","0.0285","","","0.0609","0.063","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515069","9.824","0.004","20.306","0.008","36.358","0.013","90","","90","","90","","7253","5","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C84 H94 O12 -","- C84 H94 O12 -","- C336 H376 O48 -","4","1","","Ishii, Yuuki; Nakanishi, Yusuke; Omachi, Haruka; Matsuura, Sanae; Matsui, Katsuma; Shinohara, Hisanori; Segawa, Yasutomo; Itami, Kenichiro","Size-selective synthesis of [9]‒[11] and [13]cycloparaphenylenes","Chemical Science","2012","3","7","2340","","10.1039/c2sc20343j","","","0.71075","MoKα","","0.1016","0.0877","","","0.2429","0.2575","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515137","12.0562","0.0002","13.9646","0.0003","18.9224","0.0013","90","","90","","90","","3185.8","0.2","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H57 O4 Si2 -","- C29 H57 O4 Si2 -","- C116 H228 O16 Si8 -","4","1","","Shareef, Abdur-Rafay; Sherman, David H.; Montgomery, John","Nickel-Catalyzed Regiodivergent Approach to Macrolide Motifs.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","3","892","895","10.1039/C2SC00866A","","","1.54178","CuKα","","0.0581","0.0562","","","0.1452","0.1471","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515145","9.357","0.007","13.439","0.009","18.66","0.013","90","","90","","90","","2346","3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O S -","- C28 H29 N O S -","- C112 H116 N4 O4 S4 -","4","1","","Yamaguchi, Kazuya; Yamaguchi, Junichiro; Studer, Armido; Itami, Kenichiro","Hindered biaryls by C‒H coupling: bisoxazoline-Pd catalysis leading to enantioselective C‒H coupling","Chemical Science","2012","3","6","2165","","10.1039/c2sc20277h","","","0.7107","MoKα","","0.136","0.1054","","","0.2507","0.2823","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515147","8.712","0.002","12.244","0.003","16.51","0.003","90","","90","","90","","1761.1","0.7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br N2 O2 -","- C21 H15 Br N2 O2 -","- C84 H60 Br4 N8 O8 -","4","1","","Morrill, Louis C.; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D.","Catalytic asymmetric α-amination of carboxylic acids using isothioureas","Chemical Science","2012","3","6","2088","","10.1039/c2sc20171b","","","0.71073","MoKα","","0.0456","0.0379","","","0.065","0.0682","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515161","10.3551","0.0009","13.6824","0.0011","25.595","0.002","90","","90","","90","","3626.4","0.5","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 N10 O9 -","- C40 H34 N10 O9 -","- C160 H136 N40 O36 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0815","0.0621","","","0.1338","0.1426","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515162","10.5103","0.0013","13.662","0.0016","25.537","0.003","90","","90","","90","","3666.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.1167","0.0866","","","0.185","0.2012","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515163","10.5003","0.0013","13.6695","0.0017","25.51","0.003","90","","90","","90","","3661.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0764","0.0641","","","0.1579","0.1665","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515164","10.4183","0.001","13.6836","0.0013","25.671","0.002","90","","90","","90","","3659.7","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H33.25 Cl0.25 F N9 O8.75 -","- C40.89 H33.3 Cl0.26 F N9 O8.76 -","- C163.56 H133.2 Cl1.04 F4 N36 O35.04 -","4","1","","Zhao, Huaiqing; Ong, Wei Qiang; Zhou, Feng; Fang, Xiao; Chen, Xueyuan; Li, Sam F. Y.; Su, Haibin; Cho, Nam-Joon; Zeng, Huaqiang","Chiral crystallization of aromatic helical foldamers via complementarities in shape and end functionalities","Chemical Science","2012","3","6","2042","","10.1039/c2sc20219k","","","0.71073","MoKα","","0.0921","0.0719","","","0.1385","0.1469","","","","","","1.101","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515171","8.5206","0.0013","13.968","0.002","18.439","0.003","90","","90","","90","","2194.5","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N4 O2 S2 -","- C24 H24 N4 O2 S2 -","- C96 H96 N16 O8 S8 -","4","1","","Boyer, Nicolas; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Gliocladins B and C.","Chemical science (Royal Society of Chemistry : 2010)","2012","3","6","1798","1803","10.1039/C2SC20270K","","","0.71073","MoKα","","0.0356","0.032","","","0.077","0.0791","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515174","10.131","0.003","16.286","0.006","22.312","0.007","90","","90","","90","","3681","2","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Au N3 P -","- C18 H21 Au N3 P -","- C144 H168 Au8 N24 P8 -","8","2","","Köster, S. David; Alborzinia, Hamed; Can, Suzan; Kitanovic, Igor; Wölfl, Stefan; Rubbiani, Riccardo; Ott, Ingo; Riesterer, Phillip; Prokop, Aram; Merz, Klaus; Metzler-Nolte, Nils","A spontaneous gold(i)-azide alkyne cycloaddition reaction yields gold-peptide bioconjugates which overcome cisplatin resistance in a p53-mutant cancer cell line","Chemical Science","2012","3","6","2062","","10.1039/c2sc01127a","","","0.71073","MoKα","","0.082","0.0563","","","0.1136","0.1231","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515222","8.5307","0.0004","9.5523","0.0005","30.0128","0.0013","90","","90","","90","","2445.7","0.2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N4 O5 -","- C28 H28 N4 O5 -","- C112 H112 N16 O20 -","4","1","","Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M.","Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations","Chemical Science","2012","3","5","1623","","10.1039/c2sc20176c","","","0.71073","MoKα","","0.0562","0.0402","","","0.1084","0.1404","","","","","","1.183","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515223","10.6627","0.0004","13.0584","0.0005","17.7049","0.0006","90","","90","","90","","2465.19","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N3 O3.35 Pd -","- C26 H25 N3 O3.352 Pd -","- C104 H100 N12 O13.408 Pd4 -","4","1","","Stache, Erin E.; Seizert, Curtis A.; Ferreira, Eric M.","Molecular scaffolds with remote directing groups for selective palladium-catalyzed C‒H bond functionalizations","Chemical Science","2012","3","5","1623","","10.1039/c2sc20176c","","","0.71073","MoKα","","0.0263","0.0231","","","0.049","0.0504","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515226","8.45","0.0006","11.0814","0.0007","32.443","0.003","90","","90","","90","","3037.9","0.4","110","2","110","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 Fe N2 O4.41 P -","- C35 H33 Fe N2 O4.408 P -","- C140 H132 Fe4 N8 O17.632 P4 -","4","1","","Conde, Egoitz; Bello, Davide; de Cózar, Abel; Sánchez, Mirian; Vázquez, Miguel A.; Cossío, Fernando P.","Densely substituted unnatural l- and d-prolines as catalysts for highly enantioselective stereodivergent (3 + 2) cycloadditions and aldol reactions","Chemical Science","2012","3","5","1486","","10.1039/c2sc20199b","","x-ray","0.71073","MoKα","","0.0796","0.0549","","","0.1227","0.1319","","","","","","0.893","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515234","19.21","0.004","20.782","0.004","25.12","0.005","90","","90","","90","","10028","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C86 H109 F30 N16 O10 P -","- C86 H109 F30 N16 O10 P -","- C344 H436 F120 N64 O40 P4 -","4","1","","Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut","Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor","Chemical Science","2012","3","5","1522","","10.1039/c2sc00021k","","","0.71073","MoKα","","0.0701","0.0542","","","0.1036","0.1094","","","","","","1.482","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515246","5.4774","0.0013","10.39","0.002","25.084","0.006","90","","90","","90","","1427.5","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O3 S -","- C15 H15 N O3 S -","- C60 H60 N4 O12 S4 -","4","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi","Chiral ionic Brønsted acid‒achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins","Chemical Science","2012","3","11","3161","","10.1039/c2sc20698f","","","0.71073","MoKα","","0.0408","0.0392","","","0.0961","0.0972","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515247","5.5219","0.0008","12.136","0.0017","23.04","0.003","90","","90","","90","","1544","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Uraguchi, Daisuke; Kinoshita, Natsuko; Nakashima, Daisuke; Ooi, Takashi","Chiral ionic Brønsted acid‒achiral Brønsted base synergistic catalysis for asymmetric sulfa-Michael addition to nitroolefins","Chemical Science","2012","3","11","3161","","10.1039/c2sc20698f","","","0.71073","MoKα","","0.0334","0.0324","","","0.0833","0.0843","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515270","7.4734","0.0019","46.036","0.012","6.1199","0.0016","90","","90","","90","","2105.5","0.9","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O -","- C24 H25 Br N2 O -","- C96 H100 Br4 N8 O4 -","4","1","","Zhuo, Chun-Xiang; Liu, Wen-Bo; Wu, Qing-Feng; You, Shu-Li","Asymmetric dearomatization of pyrroles via Ir-catalyzed allylic substitution reaction: enantioselective synthesis of spiro-2H-pyrroles","Chemical Science","2012","3","1","205","","10.1039/c1sc00517k","","","0.71073","MoKα","","0.0819","0.075","","","0.1864","0.1938","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515297","10.8935","0.0002","14.4989","0.0002","15.1823","0.0003","90","","90","","90","","2397.95","0.07","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 Cl4 N2 O4 Pt -","- C18 H32 Cl4 N2 O4 Pt -","- C72 H128 Cl16 N8 O16 Pt4 -","4","1","","Kaluđerović, Goran N; Mijatović, Sanja A; Zmejkovski, Bojana B.; Bulatović, Mirna Z; Gómez-Ruiz, Santiago; Mojić, Marija K; Steinborn, Dirk; Miljković, Djordje M; Schmidt, Harry; Stošić-Grujičić, Stanislava D; Sabo, Tibor J.; Maksimović-Ivanić, Danijela D","Platinum(II/IV) complexes containing ethylenediamine-N,N'-di-2/3-propionate ester ligands induced caspase-dependent apoptosis in cisplatin-resistant colon cancer cells.","Metallomics : integrated biometal science","2012","4","9","979","987","10.1039/c2mt20058a","","","0.71073","MoKα","","0.0521","0.0397","","","0.0801","0.0824","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515298","9.659","0.0002","11.2079","0.0003","27.4126","0.0007","90","","90","","90","","2967.61","0.13","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N4 O P Pd S -","- C31 H33 N4 O P Pd S -","- C124 H132 N16 O4 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.","DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.","Metallomics : integrated biometal science","2012","4","1","101","113","10.1039/c1mt00144b","","x-ray","0.71073","MoKα","","0.1336","0.0484","","","0.0649","0.0842","","","","","","0.859","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515299","9.6836","0.0002","11.1912","0.0002","27.4533","0.0005","90","","90","","90","","2975.14","0.1","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N4 O P Pd S -","- C30 H31 N4 O2 P Pd S -","- C120 H124 N16 O8 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.","DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.","Metallomics : integrated biometal science","2012","4","1","101","113","10.1039/c1mt00144b","","x-ray","0.71073","MoKα","","0.093","0.0513","","","0.065","0.0716","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515300","9.8285","0.0002","11.3287","0.0002","27.6805","0.0007","90","","90","","90","","3082.06","0.11","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N4 O P Pd S -","- C32 H35 N4 O P Pd S -","- C128 H140 N16 O4 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.","DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.","Metallomics : integrated biometal science","2012","4","1","101","113","10.1039/c1mt00144b","","x-ray","0.71073","MoKα","","0.1061","0.043","","","0.0647","0.0756","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515321","6.4052","0.0004","7.0492","0.0005","29.396","0.002","90","","90","","90","","1327.27","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N -","- C17 H21 N -","- C68 H84 N4 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0546","0.0429","","","0.0889","0.0926","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515335","9.3233","0.0001","14.8844","0.0002","15.9251","0.0002","90","","90","","90","","2209.95","0.05","173","2","173","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 -","- C30 H20 -","- C120 H80 -","4","1","","Hu, Rongrong; Lam, Jacky W. Y.; Liu, Jianzhao; Sung, Herman H. Y.; Williams, Ian D.; Yue, Zhounan; Wong, Kam Sing; Yuen, Matthew M. F.; Tang, Ben Zhong","Hyperbranched conjugated poly(tetraphenylethene): synthesis, aggregation-induced emission, fluorescent photopatterning, optical limiting and explosive detection","Polymer Chemistry","2012","3","6","1481","","10.1039/c2py20057k","","","1.54178","CuKα","","0.0276","0.0253","","","0.0704","0.0716","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515391","6.8189","0.0016","9.465","0.002","33.233","0.008","90","","90","","90","","2144.9","0.9","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O3 S -","- C24 H27 N O3 S -","- C96 H108 N4 O12 S4 -","4","1","","Zhou, Zhi; Feng, Xin; Yin, Xiang; Chen, Ying-Chun","Direct Remote Asymmetric Bisvinylogous 1,4-Additions of Cyclic 2,5-Dienones to Nitroalkenes.","Organic letters","2014","16","9","2370","2373","10.1021/ol500700d","","","0.71073","MoKα","","0.0553","0.0487","","","0.1243","0.1304","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1515392","5.7785","0.0003","7.0086","0.0004","36.717","0.002","90","","90","","90","","1487.01","0.14","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N O4 S -","- C15 H12 Br N O4 S -","- C60 H48 Br4 N4 O16 S4 -","4","1","","Zhang, Heng-Xia; Nie, Jing; Cai, Hua; Ma, Jun-An","Cyclic Aldimines as Superior Electrophiles for Cu-Catalyzed Decarboxylative Mannich Reaction of β-Ketoacids with a Broad Scope and High Enantioselectivity.","Organic letters","2014","16","9","2542","2545","10.1021/ol500929d","","","0.71073","MoKα","","0.0262","0.0233","","","0.0552","0.0562","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515450","8.2299","0.0002","9.6964","0.0002","23.9162","0.0006","90","","90","","90","","1908.52","0.08","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","FL008t17cris","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0623","0.0428","","","0.0887","0.0979","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515451","8.2075","0.0003","9.8258","0.0004","24.0803","0.0007","90","","90","","90","","1941.96","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","HF250a784","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Faustino, Hélio; López, Fernando; Castedo, Luis; Mascareñas, José L.","Gold(i)-catalyzed intermolecular (4 + 2) cycloaddition of allenamides and acyclic dienes","Chemical Science","2011","2","4","633","","10.1039/c0sc00630k","","x-ray","0.71073","MoKα","","0.0701","0.0514","","","0.1023","0.111","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515474","7.8404","0.0007","10.9935","0.001","20.087","0.0018","90","","90","","90","","1731.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","","Yin, Qin; You, Shu-Li","Chiral phosphoric acid-catalysed Friedel‒Crafts alkylation reaction of indoles with racemic spiro indolin-3-ones","Chemical Science","2011","2","7","1344","","10.1039/c1sc00190f","","","0.71073","MoKα","","0.0764","0.0459","","","0.1043","0.1173","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515493","6.6796","0.0004","9.2556","0.0006","31.8029","0.0019","90","","90","","90","","1966.2","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Br N O6 -","- C19 H24 Br N O6 -","- C76 H96 Br4 N4 O24 -","4","1","","Bartelson, Keith J.; Singh, Ravi P.; Foxman, Bruce M.; Deng, Li","Catalytic Asymmetric [4 + 2] Additions with Aliphatic Nitroalkenes.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","10","1940","1944","10.1039/c1sc00326g","","","0.71073","MoKα","","0.0884","0.0826","","0.2147","0.2123","0.2147","","","","","","1.0277","","","","has coordinates","288252","2023-12-12","14:26:14",""
"1515500","7.298","0.0004","12.069","0.0004","16.9434","0.0005","90","","90","","90","","1492.37","0.11","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","","Khan, Hasan A.; Kou, Kevin G. M.; Dong, Vy M.","Nitrogen-directed ketone hydroacylation: Enantioselective synthesis of benzoxazecinones","Chemical Science","2011","2","3","407","","10.1039/c0sc00469c","","","0.71073","MoKα","","0.0544","0.0363","","","0.0771","0.0842","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515528","5.2071","0.0001","12.8881","0.0003","14.6972","0.0004","90","","90","","90","","986.32","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 N2 O2 S -","- C8 H14 N2 O2 S -","- C32 H56 N8 O8 S4 -","4","1","","Lu, Hongjian; Jiang, Huiling; Hu, Yang; Wojtas, Lukasz; Zhang, X. Peter","Chemoselective intramolecular allylic C‒H amination versus CC aziridination through Co(ii)-based metalloradical catalysis","Chemical Science","2011","2","12","2361","","10.1039/c1sc00366f","","","1.54178","CuKα","","0.0344","0.0333","","","0.0986","0.0997","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515530","6.0485","0.0004","16.8765","0.0013","27.927","0.002","90","","90","","90","","2850.7","0.4","100","2","100","2","","","","","","","Aakarash Saxena","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N O3 S Si -","- C30 H41 N O3 S Si -","- C120 H164 N4 O12 S4 Si4 -","4","1","","Saxena, Aakarsh; Lam, Hon Wai","Enantioselective rhodium-catalyzed arylation of electron-deficient alkenylarenes","Chemical Science","2011","2","12","2326","","10.1039/c1sc00521a","","","1.5418","CuKα","","0.049","0.0439","","","0.1088","0.113","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515532","11.0841","0.0002","13.3658","0.0002","17.321","0.0003","90","","90","","90","","2566.07","0.07","120","2","120","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N2 O9 -","- C27 H28 Cl2 N2 O9 -","- C108 H112 Cl8 N8 O36 -","4","1","","Adriaenssens, Louis; Severa, Lukáš; Koval, Dušan; Císařová, Ivana; Belmonte, Marta Martínez; Escudero-Adán, Eduardo C.; Novotná, Pavlína; Sázelová, Petra; Vávra, Jan; Pohl, Radek; Šaman, David; Urbanová, Marie; Kašička, Václav; Teplý, Filip","[6]Saddlequat: a [6]helquat captured on its racemization pathway","Chemical Science","2011","2","12","2314","","10.1039/c1sc00468a","","","1.54184","CuKα","","0.0305","0.0301","","","0.0904","0.0911","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515536","5.8343","0.0003","7.4644","0.0004","37.7001","0.0018","90","","90","","90","","1641.82","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Br O3 -","- C17 H21 Br O3 -","- C68 H84 Br4 O12 -","4","1","","Parr, Brendan T.; Li, Zhanjie; Davies, Huw M. L.","Asymmetric Synthesis of Highly Functionalized Cyclopentanes by a Rhodium- and Scandium-Catalyzed Five-Step Domino Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","12","2378","2382","10.1039/C1SC00434D","","","1.54178","CuKα","","0.0245","0.0243","","","0.0653","0.0654","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515567","13.3878","0.0003","13.7768","0.0003","19.6471","0.0004","90","","90","","90","","3623.73","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H58 Fe2 P4 -","- C34 H58 Fe2 P4 -","- C136 H232 Fe8 P16 -","4","1","","Walter, Marc D.; Grunenberg, Jörg; White, Peter S.","Reactivity studies on [Cp′FeI]2: From iron hydrides to P4-activation","Chemical Science","2011","2","11","2120","","10.1039/c1sc00413a","","","0.71073","MoKα","","0.0476","0.0388","","","0.0845","0.0879","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515572","4.7179","0.0003","13.9491","0.0009","18.8428","0.0012","90","","90","","90","","1240.05","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Br N2 -","- C16 H11 Br N2 -","- C64 H44 Br4 N8 -","4","1","","Vecchione, Matthew K.; Sun, Aaron X.; Seidel, Daniel","Divergent reactions of indoles with aminobenzaldehydes: indole ring-opening vs. annulation and facile synthesis of neocryptolepine","Chemical Science","2011","2","11","2178","","10.1039/c1sc00506e","","","0.71073","MoKα","","0.0382","0.0332","","","0.0722","0.0743","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515600","10.3614","0.0008","11.1748","0.0009","18.7204","0.0016","90","","90","","90","","2167.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O5 S -","- C22 H20 Br N O5 S -","- C88 H80 Br4 N4 O20 S4 -","4","1","","Gu, Qing; You, Shu-Li","Desymmetrization of cyclohexadienones via cinchonine derived thiourea-catalyzed enantioselective aza-Michael reaction and total synthesis of (-)-Mesembrine","Chemical Science","2011","2","8","1519","","10.1039/c1sc00083g","","","0.71073","MoKα","","0.0829","0.0364","","","0.0559","0.064","","","","","","0.848","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515608","7.2838","0.0007","9.555","0.0009","19.3652","0.0019","90","","90","","90","","1347.8","0.2","223.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","0.71075","MoKα","","","0.0606","","","","0.1412","","","","","","1.076","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515610","6.16325","0.00011","11.2731","0.0002","18.7642","0.0013","90","","90","","90","","1303.72","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","1.54187","CuKα","","","0.0336","","","","0.0832","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515611","6.14187","0.00012","11.3932","0.0002","18.2633","0.0004","90","","90","","90","","1277.98","0.04","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Dermenci, Alpay; Selig, Philipp S.; Domaoal, Robert A.; Spasov, Krasimir A.; Anderson, Karen S.; Miller, Scott J.","Quasi-Biomimetic Ring Contraction Catalyzed by a Cysteine-Based Nucleophile: Total Synthesis of Sch-642305, Some Analogs and their Putative anti-HIV Activities.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","8","1568","","10.1039/C1SC00221J","","","1.54187","CuKα","","","0.0378","","","","0.0987","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515618","7.0652","0.0001","11.0639","0.0002","22.775","0.0005","90","","90","","90","","1780.29","0.06","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 I N O3 -","- C19 H16 I N O3 -","- C76 H64 I4 N4 O12 -","4","1","","Leon, Rafael; Jawalekar, Anup; Redert, Thomas; Gaunt, Matthew J.","Catalytic enantioselective assembly of complex molecules containing embedded quaternary stereogenic centres from simple anisidine derivatives","Chemical Science","2011","2","8","1487","","10.1039/c1sc00218j","","","0.71073","MoKα","","0.0225","0.0212","","","0.0539","0.0548","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515629","6.24573","0.00008","7.2874","0.0001","37.2516","0.0005","90","","90","","90","","1695.51","0.04","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cl2 -","- C22 H16 Cl2 -","- C88 H64 Cl8 -","4","1","","Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes","Chemical Science","2011","2","9","1850","","10.1039/c1sc00300c","","x-ray","1.5418","CuKα","","0.0264","0.0258","","","0.0713","0.0717","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515648","6.4713","0.0002","12.2439","0.0003","21.5133","0.0006","90","","90","","90","","1704.58","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Kummer, David A.; Li, Derun; Dion, Amelie; Myers, Andrew G.","A practical, convergent route to the key precursor to the tetracycline antibiotics.","Chemical science (Royal Society of Chemistry : 2010)","2011","2","9","1710","1718","10.1039/C1SC00303H","","","1.54178","CuKα","","0.0257","0.0256","","","0.0695","0.0696","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515659","10.9724","0.0004","11.3362","0.0005","16.996","0.0007","90","","90","","90","","2114.05","0.15","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 B F10 N -","- C22 H20 B F10 N -","- C88 H80 B4 F40 N4 -","4","1","","Schwendemann, Sina; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Intramolecular frustrated N/B lewis pairs by enamine hydroboration","Chemical Science","2011","2","9","1842","","10.1039/c1sc00124h","","","1.54178","CuKα","","0.0397","0.0367","","","0.0893","0.0917","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515666","11.6507","0.0006","13.7877","0.0006","19.5448","0.0008","90","","90","","90","","3139.6","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 B F12 N2 O P -","- C30 H30 B F12 N2 O P -","- C120 H120 B4 F48 N8 O4 P4 -","4","1","","Neu, Rebecca C.; Otten, Edwin; Lough, Alan; Stephan, Douglas W.","The synthesis and exchange chemistry of frustrated Lewis pair‒nitrous oxide complexes","Chemical Science","2011","2","1","170","","10.1039/c0sc00398k","","","0.71073","MoKα","","0.0485","0.0367","","","0.0803","0.0856","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515687","14.7192","0.0007","20.6103","0.0009","21.1775","0.0009","90","","90","","90","","6424.6","0.5","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H88 Cl2 N8 O5 Zr2 -","- C64 H88 Cl2 N8 O5 Zr2 -","- C256 H352 Cl8 N32 O20 Zr8 -","4","1","","Nguyen, Andy I.; Zarkesh, Ryan A.; Lacy, David C.; Thorson, Megan K.; Heyduk, Alan F.","Catalytic nitrene transfer by a zirconium(iv) redox-active ligand complex","Chemical Science","2011","2","1","166","","10.1039/c0sc00414f","","","0.71073","MoKα","","0.0518","0.0376","","","0.0829","0.0892","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515738","8.7688","0.001","11.3647","0.0014","17.512","0.002","90","","90","","90","","1745.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N O -","- C20 H29 N O -","- C80 H116 N4 O4 -","4","1","","Ayitou, Anoklase Jean-Luc; Vallavoju, Nandini; Ugrinov, Angel; Sivaguru, J.","Enantiospecific 6π-photocyclization of atropisomeric α-substituted acrylanilides in the solid-state: role of crystalline confinement on enantiospecificity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1380","1383","10.1039/c1pp05057e","","","1.54178","CuKα","","0.0266","0.0261","","","0.0701","0.0705","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515739","8.7698","0.0005","11.3683","0.0007","17.5191","0.001","90","","90","","90","","1746.61","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N O -","- C20 H29 N O -","- C80 H116 N4 O4 -","4","1","","Ayitou, Anoklase Jean-Luc; Vallavoju, Nandini; Ugrinov, Angel; Sivaguru, J.","Enantiospecific 6π-photocyclization of atropisomeric α-substituted acrylanilides in the solid-state: role of crystalline confinement on enantiospecificity.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2011","10","9","1380","1383","10.1039/c1pp05057e","","","1.54178","CuKα","","0.0259","0.0253","","","0.0651","0.0656","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515757","9.5536","0.0009","9.8415","0.0011","17.0212","0.0017","90","","90","","90","","1600.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Li, Yi; Xu, Ming-Hua","Rhodium-catalyzed asymmetric tandem cyclization for efficient and rapid access to underexplored heterocyclic tertiary allylic alcohols containing a tetrasubstituted olefin.","Organic letters","2014","16","10","2712","2715","10.1021/ol500993h","","","0.71073","MoKα","","0.0373","0.0324","","","0.0817","0.0851","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515815","6.9199","0.0007","16.655","0.0016","18.415","0.0018","90","","90","","90","","2122.3","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09188a","","","- C24 H24 N2 O7 -","- C24 H24 N2 O7 -","- C96 H96 N8 O28 -","4","1","","Krenske, Elizabeth H.; Houk, K. N.; Lohse, Andrew G.; Antoline, Jennifer E.; Hsung, Richard P.","Stereoselectivity in Oxyallyl-Furan 4+3 Cycloadditions: Control of Intermediate Conformations and Dispersive Stabilisation with Evans' Oxazolidinones.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","3","387","392","10.1039/C0SC00280A","","","0.71073","MoKα","","0.0452","0.032","","","0.0738","0.0813","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515840","10.5979","0.0011","11.4345","0.0012","23.237","0.002","90","","90","","90","","2815.9","0.5","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N O9 -","- C26 H41 N O9 -","- C104 H164 N4 O36 -","4","1","","Yu, Shouyun; Ishida, Hiroshi; Juarez-Garcia, M. Elisa; Bode, Jeffrey W.","Unified synthesis of enantiopure β2h, β3h and β2,3-amino acids","Chemical Science","2010","1","5","637","","10.1039/c0sc00317d","","","0.71073","MoKα","","0.0502","0.0462","","","0.1224","0.1259","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515843","6.1269","0.0007","6.8919","0.0009","29.087","0.004","90","","90","","90","","1228.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br N4 O3 -","- C11 H11 Br N4 O3 -","- C44 H44 Br4 N16 O12 -","4","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0515","0.0464","","","0.1115","0.1133","","","","","","1.161","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515844","8.4061","0.0009","9.2037","0.001","17.3522","0.0018","90","","90","","90","","1342.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Br N2 O4 -","- C11 H13 Br N2 O4 -","- C44 H52 Br4 N8 O16 -","4","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0241","0.0224","","","0.0556","0.0561","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515845","10.3843","0.0011","10.7461","0.0011","14.0947","0.0015","90","","90","","90","","1572.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br N4 O4 -","- C14 H19 Br N4 O4 -","- C56 H76 Br4 N16 O16 -","4","1","","Movassaghi, Mohammad; Siegel, Dustin S.; Han, Sunkyu","Total synthesis of all (-)-Agelastatin alkaloids.","Chemical science (Royal Society of Chemistry : 2010)","2010","1","5","561","566","10.1039/c0sc00351d","","","0.71073","MoKα","","0.0328","0.0277","","","0.0625","0.0643","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515868","13.5137","0.0006","19.4816","0.0009","27.1434","0.0011","90","","90","","90","","7146","0.5","123","","123","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C68.95 H68.7 B Cl1.1 F24 Ir N O P -","- C68.95 H68.7 B Cl1.1 F24 Ir N O P -","- C275.8 H274.8 B4 Cl4.4 F96 Ir4 N4 O4 P4 -","4","1","","Woodmansee, David H.; Müller, Marc-André; Neuburger, Marcus; Pfaltz, Andreas","Chiral pyridyl phosphinites with large aryl substituents as efficient ligands for the asymmetric iridium-catalyzed hydrogenation of difficult substrates","Chemical Science","2010","1","1","72","","10.1039/c0sc00223b","","","0.71073","MoKα","","0.0314","0.0264","","0.0343","0.0285","0.0279","","","","","","1.1252","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515877","5.4272","0.0007","8.1299","0.0011","29.841","0.004","90","","90","","90","","1316.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 F3 O5 -","- C12 H13 F3 O5 -","- C48 H52 F12 O20 -","4","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0344","0.0294","","","0.0628","0.0651","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515878","5.3299","0.0002","7.8346","0.0004","26.1897","0.0012","90","","90","","90","","1093.62","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C44 H56 O20 -","4","1","","Kandur, Wynne V.; Richert, Kathleen J.; Rieder, Curtis J.; Thomas, Andrew M.; Hu, Chunhua; Ziller, Joseph W.; Woerpel, K. A.","Synthesis and Reactivity of 1,2-Dioxolanes from β,γ-Epoxy Ketones.","Organic letters","2014","16","10","2650","2653","10.1021/ol500835f","","","0.71073","MoKα","","0.0285","0.0269","","","0.0719","0.0732","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515901","5.8497","0.0016","8.507","0.003","24.476","0.007","90","","90","","90","","1218","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O -","- C14 H22 O -","- C56 H88 O4 -","4","1","","Terada, Takuma; Kurahashi, Takuya; Matsubara, Seijiro","Diastereoselective Construction of Trans-Fused Octalone Framework via Ruthenium-Porphyrin-Catalyzed Cycloaddition.","Organic letters","2014","16","10","2594","2597","10.1021/ol500625r","","","0.71075","MoKα","","","0.0856","","","","0.2216","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515938","9.917","0.001","11.1123","0.0011","28.247","0.003","90","","90","","90","","3112.8","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DA201109","2-[({[(naphthalen-1-yloxy)acetyl]amino}acetyl)amino]propanoic acid","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C136 H144 N16 O40 -","8","2","","Adams, Dave J.; Morris, Kyle; Chen, Lin; Serpell, Louise C.; Bacsa, John; Day, Graeme M.","The delicate balance between gelation and crystallisation: structural and computational investigations","Soft Matter","2010","6","17","4144","","10.1039/c0sm00409j","","","0.71073","MoKα","","0.0402","0.0346","","","0.074","0.0767","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515954","5.98","0.0007","8.0417","0.001","33.922","0.004","90","","90","","90","","1631.3","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 -","- C19 H24 N2 -","- C76 H96 N8 -","4","1","","Hoijemberg, Pablo Ariel; Karlen, Steven D.; Sanramé, Carlos Norberto; Aramendía, Pedro Francisco; García-Garibay, Miguel Angel","Photolysis of an asymmetrically substituted diazene in solution and in the crystalline state.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2009","8","7","961","969","10.1039/b902272d","","","0.71073","MoKα","","0.1086","0.0509","","","0.0913","0.1093","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515958","6.0019","0.0016","9.123","0.003","34.23","0.009","90","","90","","90","","1874.3","0.9","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 N2 S2 -","- C23 H16 N2 S2 -","- C92 H64 N8 S8 -","4","1","","Dufresne, Stéphane; Pérez Guarìn, Sergio Andrés; Bolduc, Andréanne; Bourque, Alex N.; Skene, W. G.","Conjugated fluorene-thiophenes prepared from azomethine connections. Part I. The effect of electronic and aryl groups on the spectroscopic and electrochemical properties.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2009","8","6","796","804","10.1039/b819735k","","","1.54178","CuKα","","0.039","0.0327","","","0.0767","0.079","","","","","","0.928","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515977","8.9976","0.0005","10.8156","0.0006","16.5526","0.0009","90","","90","","90","","1610.81","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang","One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers.","Organic letters","2014","16","10","2724","2727","10.1021/ol501011t","","","0.71073","MoKα","","0.0493","0.0415","","","0.0976","0.1025","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515979","7.3853","0.0002","10.1226","0.0002","17.8638","0.0003","90","","90","","90","","1335.47","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","","Jhuo, Dai-Huei; Hong, Bor-Cherng; Chang, Chun-Wei; Lee, Gene-Hsiang","One-pot organocatalytic enantioselective Michael-Michael-aldol-Henry reaction cascade. A facile entry to the steroid system with six contiguous stereogenic centers.","Organic letters","2014","16","10","2724","2727","10.1021/ol501011t","","","0.71073","MoKα","","0.0484","0.0395","","","0.0999","0.1045","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516003","7.1785","0.0005","10.0813","0.0015","17.096","0.002","90","","90","","90","","1237.2","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N5 O6 -","- C10 H17 N5 O6 -","- C40 H68 N20 O24 -","4","1","","Clinch, Keith; Watt, Derek K.; Dixon, Rachel A.; Baars, Sylvia M.; Gainsford, Graeme J.; Tiwari, Ashish; Schwarz, Günter; Saotome, Yas; Storek, Michael; Belaidi, Abdel A.; Santamaria-Araujo, Jose A","Synthesis of cyclic pyranopterin monophosphate, a biosynthetic intermediate in the molybdenum cofactor pathway.","Journal of medicinal chemistry","2013","56","4","1730","1738","10.1021/jm301855r","","","1.54178","CuKα","","0.0314","0.0283","","","0.072","0.0742","","","","","","1.071","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1516004","7.436","0.002","10.803","0.003","21.663","0.006","90","","90","","90","","1740.2","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Bautista, Elihú; Toscano, Alfredo; Calzada, Fernando; Díaz, Eduardo; Yépez-Mulia, Lilian; Ortega, Alfredo","Hydroxyclerodanes from Salvia shannoni.","Journal of natural products","2013","76","10","1970","1975","10.1021/np400606g","","","0.71073","MoKα","","0.0807","0.0521","","","0.1069","0.1186","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516005","7.47","0.0007","8.2128","0.0007","28.215","0.003","90","","90","","90","","1731","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","","Bautista, Elihú; Toscano, Alfredo; Calzada, Fernando; Díaz, Eduardo; Yépez-Mulia, Lilian; Ortega, Alfredo","Hydroxyclerodanes from Salvia shannoni.","Journal of natural products","2013","76","10","1970","1975","10.1021/np400606g","","","0.71073","MoKα","","0.0532","0.0442","","","0.1058","0.1097","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516006","9.581","0.0001","10.936","0.0001","26.3804","0.0002","90","","90","","90","","2764.08","0.04","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 N4 O7 -","- C29 H30 N4 O7 -","- C116 H120 N16 O28 -","4","1","","Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41.","Journal of natural products","2013","76","6","1133","1140","10.1021/np400200k","","","1.54184","CuKα","","0.0289","0.0281","","","0.0754","0.0763","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516007","12.4363","0.0002","13.6529","0.0002","15.6264","0.0002","90","","90","","90","","2653.23","0.07","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N5 O5 -","- C28 H31 N5 O5 -","- C112 H124 N20 O20 -","4","1","","Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41.","Journal of natural products","2013","76","6","1133","1140","10.1021/np400200k","","","1.54184","CuKα","","0.0437","0.0411","","","0.1203","0.1245","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516009","7.2956","0.0015","10.729","0.002","18.181","0.004","90","","90","","90","","1423.1","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Liu, Yue; Ma, JiangHao; Zhao, Qian; Liao, ChunRu; Ding, LiQin; Chen, LiXia; Zhao, Feng; Qiu, Feng","Guaiane-type sesquiterpenes from Curcuma phaeocaulis and their inhibitory effects on nitric oxide production.","Journal of natural products","2013","76","6","1150","1156","10.1021/np400202f","","","0.71073","MoKα","","0.0559","0.0465","","","0.1144","0.1193","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516010","9.003","0.003","8.28","0.005","18.182","0.005","90","","90","","90","","1355.4","1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 O3 -","- C15 H21 O3 -","- C60 H84 O12 -","4","1","","Zhang, Yan; Liu, Yun-Bao; Li, Yong; Ma, Shuang-Gang; Li, Li; Qu, Jing; Zhang, Dan; Chen, Xiao-Guang; Jiang, Jian-Dong; Yu, Shi-Shan","Sesquiterpenes and alkaloids from the roots of Alangium chinense.","Journal of natural products","2013","76","6","1058","1063","10.1021/np4000747","","","1.54187","CuKα","","0.0516","0.0455","","","0.124","0.1321","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516012","8.314","0.0002","10.5467","0.0003","20.9187","0.0006","90","","90","","90","","1834.26","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C80 H128 O8 -","4","1","","Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi","Diterpenoids from the twigs and leaves of Fokienia hodginsii.","Journal of natural products","2013","76","6","1032","1038","10.1021/np400010c","","","1.54178","CuKα","","0.0345","0.0343","","","0.0979","0.0981","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516013","8.063","0.0001","14.9648","0.0002","20.7157","0.0002","90","","90","","90","","2499.58","0.05","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O7 -","- C26 H34 O7 -","- C104 H136 O28 -","4","1","","Zhang, Yao; Wang, Jun-Song; Wei, Dan-Dan; Gu, Yu-Cheng; Wang, Xiao-Bing; Kong, Ling-Yi","Bioactive terpenoids from the fruits of Aphanamixis grandifolia.","Journal of natural products","2013","76","6","1191","1195","10.1021/np400126q","","","1.54184","CuKα","","0.0391","0.0385","","","0.1116","0.1128","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516014","6.4698","0.0002","15.2985","0.0003","26.1064","0.0005","90","","90","","90","","2583.97","0.11","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O9 -","- C28 H38 O9 -","- C112 H152 O36 -","4","1","","Zhang, Yao; Wang, Jun-Song; Wei, Dan-Dan; Gu, Yu-Cheng; Wang, Xiao-Bing; Kong, Ling-Yi","Bioactive terpenoids from the fruits of Aphanamixis grandifolia.","Journal of natural products","2013","76","6","1191","1195","10.1021/np400126q","","","1.54184","CuKα","","0.0335","0.0328","","","0.0889","0.0899","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516016","5.1687","0.0006","8.202","0.001","21.516","0.002","90","","90","","90","","912.14","0.18","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","L-cysteine ethyl ester hydrochloride","","- C5 H12 Cl N O2 S -","- C5 H12 Cl N O2 S -","- C20 H48 Cl4 N4 O8 S4 -","4","1","","Defonsi Lestard, M. E.; Díaz, S B; Puiatti, M.; Echeverría, G A; Piro, O. E.; Pierini, A. B.; Ben Altabef, A.; Tuttolomondo, M. E.","Vibrational and structural behavior of (L)-cysteine ethyl ester hydrochloride in the solid state and in aqueous solution.","The journal of physical chemistry. A","2013","117","51","14243","14252","10.1021/jp409252d","","","1.54184","CuKα","","0.0395","0.0375","","","0.1068","0.1095","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516021","7.3172","0.0001","23.8986","0.0003","40.6627","0.0005","90","","90","","90","","7110.72","0.16","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H63 O12 -","- C36.5 H63 O12 -","- C292 H504 O96 -","8","2","","Huang, Yu-Jie; Lu, Hui; Yu, Xue-Li; Zhang, Shu-Wei; Wang, Wen-Qiong; Fen, Lin-Yin; Xuan, Li-Jiang","Dammarane-Type Triterpenoids from Gentianella azurea.","Journal of natural products","2014","77","5","1201","","10.1021/np500077z","","","1.54178","CuKα","","0.0382","0.0344","","","0.086","0.089","","","","","","1.052","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516037","7.1622","0.0002","9.0664","0.0003","20.6429","0.0007","90","","90","","90","","1340.45","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 N4 O6 -","- C13 H8 N4 O6 -","- C52 H32 N16 O24 -","4","1","","McHugh, Callum J.; Kennedy, Alan R.; Smith, W. Ewen; Graham, Duncan","TNT stilbene derivatives as SERRS active species.","The Analyst","2007","132","10","986","988","10.1039/b712231d","","","0.71073","MoKα","","0.066","0.0422","","","0.0904","0.0997","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516050","10.5434","0.0006","11.509","0.0006","19.6411","0.001","90","","90","","90","","2383.3","0.2","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N2 O2 -","- C26 H36 N2 O2 -","- C104 H144 N8 O8 -","4","1","","Seo, Min-Seob; Lee, Ansoo; Kim, Hyunwoo","2,2'-dihydroxybenzil: a stereodynamic probe for primary amines controlled by steric strain.","Organic letters","2014","16","11","2950","2953","10.1021/ol501088v","","","1.54178","CuKα","","0.0239","0.0238","","","0.0624","0.0625","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516052","7.6345","0.001","13.862","0.002","13.927","0.002","90","","90","","90","","1473.9","0.4","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isophotosantonin","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Macías, Francisco A; Santana, Alejandro; Yamahata, Azusa; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G","Facile preparation of bioactive seco-guaianolides and guaianolides from Artemisia gorgonum and evaluation of their phytotoxicity.","Journal of natural products","2012","75","11","1967","1973","10.1021/np300639b","","","1.54178","CuKα","","0.0247","0.0245","","","0.0656","0.0659","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516053","7.3918","0.0002","29.704","0.001","32.1937","0.001","90","","90","","90","","7068.6","0.4","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15.8 H19.6 O4.4 -","- C15.8 H19.6 O4.4 -","- C316 H392 O88 -","20","5","","Macías, Francisco A; Santana, Alejandro; Yamahata, Azusa; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G","Facile preparation of bioactive seco-guaianolides and guaianolides from Artemisia gorgonum and evaluation of their phytotoxicity.","Journal of natural products","2012","75","11","1967","1973","10.1021/np300639b","","","1.54178","CuKα","","0.0291","0.0287","","","0.0769","0.0772","","","","","","1.041","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516054","9.0581","0.0004","9.5429","0.0004","15.5537","0.0007","90","","90","","90","","1344.47","0.1","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Macías, Francisco A; Santana, Alejandro; Yamahata, Azusa; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G","Facile preparation of bioactive seco-guaianolides and guaianolides from Artemisia gorgonum and evaluation of their phytotoxicity.","Journal of natural products","2012","75","11","1967","1973","10.1021/np300639b","","","1.54178","CuKα","","0.027","0.0267","","","0.0719","0.0721","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516069","5.2688","0.0002","7.4978","0.0005","52.786","0.002","90","","90","","90","","2085.28","0.18","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H38 O4 -","- C21 H38 O4 -","- C84 H152 O16 -","4","1","","Persich, Peter; Kerschbaumer, Julia; Helling, Sandra; Hildmann, Barbara; Wibbeling, Birgit; Haufe, Günter","Transannular O-heterocyclization: a useful tool for the total synthesis of Murisolin and 16,19-cis-Murisolin.","Organic letters","2012","14","22","5628","5631","10.1021/ol302820c","","","1.54178","CuKα","","0.0425","0.0367","","","0.098","0.1047","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516075","7.9485","0.0014","12.166","0.002","17.196","0.004","90","","90","","90","","1662.9","0.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.0535","","","","0.1663","","","","","","1.342","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516076","7.1383","0.0014","10.9101","0.0019","23.798","0.005","90","","90","","90","","1853.4","0.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C80 H88 N8 O24 -","4","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.044","","","","0.1214","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516078","7.4222","0.0011","9.96","0.0014","25.642","0.004","90","","90","","90","","1895.6","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C84 H112 N8 O12 -","4","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.0491","","","","0.1437","","","","","","1.184","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516079","7.9567","0.001","12.3012","0.0017","20.572","0.003","90","","90","","90","","2013.5","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C88 H104 N8 O16 -","4","1","","Lancefield, Christopher S.; Zhou, Linna; Lébl, Tomas; Slawin, Alexandra M. Z.; Westwood, Nicholas J.","The synthesis of melohenine B and a related natural product.","Organic letters","2012","14","24","6166","6169","10.1021/ol302859j","","","1.54187","CuKα","","","0.1641","","","","0.4045","","","","","","1.44","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516150","6.5465","0.0017","7.844","0.002","38.945","0.01","90","","90","","90","","1999.9","0.9","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O3 S -","- C23 H24 O3 S -","- C92 H96 O12 S4 -","4","1","","Ohmatsu, Kohsuke; Hara, Yoshiyuki; Ooi, Takashi","In situ generation of ion-paired chiral ligands: rapid identification of the optimal ligand for palladium-catalyzed asymmetric allylation","Chemical Science","2014","5","9","3645","","10.1039/C4SC01032A","","","0.71073","MoKα","","0.0559","0.0235","","","0.042","0.0426","","","","","","0.662","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516153","12.06","0.002","12.066","0.002","14.641","0.003","90","","90","","90","","2130.5","0.7","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C88 H88 Br8 O24 -","8","2","","Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L.","Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates.","Organic letters","2014","16","11","3036","3039","10.1021/ol5011505","","","0.71073","MoKα","","0.0528","0.0424","","","0.0832","0.0875","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516260","8.4097","0.0016","13.856","0.002","32.621","0.006","90","","90","","90","","3801.2","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H52 Li2 O2 Si2 Sn -","- C37 H52 Li2 O2 Si2 Sn -","- C148 H208 Li8 O8 Si8 Sn4 -","4","1","","Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Minoura, Mao; Herber, Rolfe H.; Saito, Masaichi","Enhancement of Stannylene Character in Stannole Dianion Equivalents Evidenced by NMR and Mössbauer Spectroscopy and Theoretical Studies of Newly Synthesized Silyl-Substituted Dilithiostannoles","Organometallics","2014","33","11","2910","","10.1021/om5003717","","","0.71073","MoKα","","0.0877","0.0675","","","0.1286","0.1371","","","","","","1.029","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516264","11.939","0.002","12.451","0.003","15.057","0.003","90","","90","","90","","2238.3","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl N2 O4 -","- C24 H25 Cl N2 O4 -","- C96 H100 Cl4 N8 O16 -","4","1","","Zhang, Han-Ming; Gao, Zhong-Hua; Ye, Song","Bifunctional N-Heterocyclic Carbene-Catalyzed Highly Enantioselective Synthesis of Spirocyclic Oxindolo-β-lactams.","Organic letters","2014","16","11","3079","3081","10.1021/ol501205v","","","0.71073","MoKα","","0.0406","0.0388","","","0.0851","0.0865","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516340","5.8815","0.0003","8.9902","0.0004","15.9025","0.0007","90","","90","","90","","840.86","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A.","General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis.","Organic letters","2014","16","11","3166","3169","10.1021/ol5014153","","","1.54178","CuKα","","0.0281","0.0269","","","0.0763","0.0772","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516344","4.75","0.019","18.89","0.005","10.333","0.01","90","","90","","90","","927","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 N4 O20 -","- C32 H52 N4 O20 -","- C32 H52 N4 O20 -","1","0.25","","Sikorski, Pawel; Hori, Ritsuko; Wada, Masahisa","Revisit of alpha-chitin crystal structure using high resolution X-ray diffraction data.","Biomacromolecules","2009","10","5","1100","1105","10.1021/bm801251e","","","0.7293","","","0.2715","0.2621","","","0.547","0.5582","","","","","","2.405","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516345","4.715","0.019","18.77","0.005","10.333","0.01","90","","90","","90","","914","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 N4 O20 -","- C32 H52 N4 O20 -","- C32 H52 N4 O20 -","1","0.25","","Sikorski, Pawel; Hori, Ritsuko; Wada, Masahisa","Revisit of alpha-chitin crystal structure using high resolution X-ray diffraction data.","Biomacromolecules","2009","10","5","1100","1105","10.1021/bm801251e","","","0.7293","","","0.2553","0.2505","","","0.5324","0.5374","","","","","","2.453","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516348","7.6786","0.0002","7.7348","0.0002","14.8561","0.0004","90","","90","","90","","882.34","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","","Nelyubina, Yulia V.; Antipin, Mikhail Yu; Lyssenko, Konstantin A.","Hydrogen bonds between zwitterions: intermediate between classical and charge-assisted ones. A case study.","The journal of physical chemistry. A","2009","113","15","3615","3620","10.1021/jp809898g","","","0.71073","MoKα","","0.0335","0.0298","","","0.0803","0.0836","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516362","15.831","0.003","22.374","0.004","25.304","0.005","90","","90","","90","","8963","3","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H128.5 Co N14 O29 P -","- C71.1 H126.3 Co N14 O28.8 P -","- C284.4 H505.2 Co4 N56 O115.2 P4 -","4","1","","Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter","Electron densities of three B12 vitamins.","The journal of physical chemistry. A","2009","113","29","8366","8378","10.1021/jp902433x","","","0.71073","MoKα","","0.07","0.034","","","","0.066","0.055","","","","","2.618","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516363","15.12","0.003","21.474","0.004","27.219","0.006","90","","90","","90","","8838","3","23","2","23","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C76 H132 Co N18 O30 P -","- C76 H132.4 Co N18 O29.747 P -","- C304 H529.6 Co4 N72 O118.988 P4 -","4","1","","Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter","Electron densities of three B12 vitamins.","The journal of physical chemistry. A","2009","113","29","8366","8378","10.1021/jp902433x","","","0.71073","MoKα","","0.063","0.048","","","","0.081","0.065","","","","","2.892","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516364","17.3","0.005","17.69","0.005","32.23","0.005","90","","90","","90","","9864","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C63 H91 Co N13 O28.25 P -","- C63 H90.6 Co N13 O27.7 P -","- C252 H362.4 Co4 N52 O110.8 P4 -","4","1","","Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter","Electron densities of three B12 vitamins.","The journal of physical chemistry. A","2009","113","29","8366","8378","10.1021/jp902433x","","","0.56","AgKα","","0.0837","0.0812","","","0.2433","0.2457","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516410","6.6825","0.0008","16.2052","0.0019","20.21","0.002","90","","90","","90","","2188.6","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl2 Cu N4 O6 -","- C20 H24 Cl2 Cu N4 O6 -","- C80 H96 Cl8 Cu4 N16 O24 -","4","1","","Offenbacher, Adam; White, Kimberly N.; Sen, Indranil; Oliver, Allen G.; Konopelski, Joseph P.; Barry, Bridgette A.; Einarsdóttir, Olöf","A spectroscopic investigation of a tridentate Cu-complex mimicking the tyrosine-histidine cross-link of cytochrome C oxidase.","The journal of physical chemistry. B","2009","113","20","7407","7417","10.1021/jp9010795","","","0.71073","MoKα","","0.0612","0.0409","","","0.0792","0.0872","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516433","9.0748","0.0016","12.493","0.002","19.025","0.003","90","","90","","90","","2156.9","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C120 H80 N8 -","4","1","","Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook","Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers","The Journal of Physical Chemistry C","2009","113","45","19686","","10.1021/jp907104j","","","0.71073","MoKα","","0.0786","0.036","","","0.0761","0.0948","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516444","10.7084","0.0014","15.3419","0.0019","15.984","0.002","90","","90","","90","","2626","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H38 Cl3 La O15 -","- C10 H38 Cl3 La O15 -","- C40 H152 Cl12 La4 O60 -","4","1","","Lindqvist-Reis, Patric; Walther, Clemens; Klenze, Reinhardt; Edelstein, Norman M.","Optical Spectra and Crystal-Field Levels of [Cm(H2O)9]3+Ions withC3hSymmetry in Isotypic Rare-Earth Triflate and Ethyl Sulfate Salts","The Journal of Physical Chemistry C","2009","113","1","449","","10.1021/jp808491k","","","0.71073","MoKα","","0.0559","0.0341","","","0.0737","0.0774","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516458","7.6766","0.0004","17.0877","0.0011","22.6809","0.0012","90","","90","","90","","2975.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C120 H168 N8 O16 S8 -","8","2","","Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo","Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.","Organic letters","2014","16","11","3162","3165","10.1021/ol501372u","","","0.71073","MoKα","","0.0406","0.0309","","","0.0626","0.0639","","","","","","0.859","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516459","9.7947","0.0004","9.9666","0.0005","16.9986","0.0007","90","","90","","90","","1659.4","0.13","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C76 H84 N4 O8 S4 -","4","1","","Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo","Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines.","Organic letters","2014","16","11","3162","3165","10.1021/ol501372u","","","0.71073","MoKα","","0.0268","0.0252","","","0.0625","0.0634","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516469","9.374","0.0003","14.5468","0.0004","19.7294","0.0005","90","","90","","90","","2690.33","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","TA523c","","","- C22 H34 N4 O4 Pd S -","- C22 H34 N4 O4 Pd S -","- C88 H136 N16 O16 Pd4 S4 -","4","1","","Poveda, Ana; Alonso, Inés; Fernández-Ibáñez, M. Ángeles","Experimental and computational studies on the mechanism of the Pd-catalyzed C(sp3)‒H γ-arylation of amino acid derivatives assisted by the 2-pyridylsulfonyl group","Chemical Science","2014","5","10","3873","","10.1039/C4SC00848K","","","0.71073","","","0.0201","0.018","","","0.0462","0.048","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516470","7.3028","0.0003","13.9746","0.0013","16.4665","0.0012","90","","90","","90","","1680.5","0.2","99.8","","99.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Chen, Shenxi; Zhang, Yang; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Cytotoxic Cleistanthane and Cassane Diterpenoids from the Entomogenous Fungus Paraconiothyrium hawaiiense.","Journal of natural products","2014","77","6","1513","1518","10.1021/np500302e","","","1.5418","CuKα","","0.035","0.0344","","","0.0882","0.0888","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516471","7.2054","0.0003","8.0628","0.0003","31.8423","0.0011","90","","90","","90","","1849.9","0.12","97.2","0.1","97.2","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Chen, Shenxi; Zhang, Yang; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","Cytotoxic Cleistanthane and Cassane Diterpenoids from the Entomogenous Fungus Paraconiothyrium hawaiiense.","Journal of natural products","2014","77","6","1513","1518","10.1021/np500302e","","x-ray","1.54184","CuKα","","0.0389","0.0369","","","0.0945","0.0967","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516493","11.2062","0.0013","12.595","0.0014","12.8803","0.0015","90","","90","","90","","1818","0.4","571","2","571","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O6 -","- C20 H23 N O6 -","- C80 H92 N4 O24 -","4","1","","Yan, Meng-Hong; Cheng, Pi; Jiang, Zhi-Yong; Ma, Yun-Bao; Zhang, Xue-Mei; Zhang, Feng-Xue; Yang, Liu-Meng; Zheng, Yong-Tang; Chen, Ji-Jun","Periglaucines A-D, anti-HBV and -HIV-1 alkaloids from Pericampylus glaucus.","Journal of natural products","2008","71","5","760","763","10.1021/np070479+","","","0.71073","MoKα","","0.0968","0.0577","","","0.1339","0.1522","","","","","","1.18","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516501","7.4232","0.0001","16.138","0.0001","16.7378","0.0001","90","","90","","90","","2005.11","0.03","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C92 H92 N4 O24 -","4","1","","Xiao, You-Cai; Yue, Cai-Zhen; Chen, Peng-Qiao; Chen, Ying-Chun","Asymmetric Dearomatic Diels-Alder Reactions of Diverse Heteroarenes via π-System Activation.","Organic letters","2014","16","12","3208","3211","10.1021/ol501217u","","","1.54184","CuKα","","0.0311","0.0295","","","0.0778","0.0792","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516522","7.495","0.0006","10.4454","0.0009","35.197","0.003","90","","90","","90","","2755.5","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O5 -","- C26 H31 N O5 -","- C104 H124 N4 O20 -","4","1","","Letort, Aurélien; Aouzal, Rémi; Ma, Cong; Long, De-Liang; Prunet, Joëlle","Highly efficient synthesis of the tricyclic core of taxol by cascade metathesis.","Organic letters","2014","16","12","3300","3303","10.1021/ol501304j","","","0.71073","MoKα","","0.1565","0.1164","","","0.2886","0.3085","","","","","","1.054","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1516524","8.9315","0.0015","9.1942","0.0012","21.867","0.003","90","","90","","90","","1795.7","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-3'-phenyl-10,11-dihydro-3'H-spiro[dibenzo[a,d][7]annulene-5,2'-furan]-5'(4'H)-one","","- C24 H20 O2 -","- C24 H20 O2 -","- C96 H80 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.","Organic letters","2014","16","12","3348","3351","10.1021/ol5013789","","","0.71075","MoKα","","0.062","0.0382","","","0.0679","0.0722","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516525","8.284","0.005","13.944","0.006","23.978","0.013","90","","90","","90","","2770","3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5S)-1-((R)-3-(5-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)- 3-phenylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one","","- C35 H34 N2 O3 -","- C35 H34 N2 O3 -","- C140 H136 N8 O12 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.","Organic letters","2014","16","12","3348","3351","10.1021/ol5013789","","","0.71075","MoKα","","0.1001","0.0619","","","0.1543","0.1788","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516565","13.3371","0.0004","19.9237","0.0006","34.7236","0.001","90","","90","","90","","9226.9","0.5","100","2","99.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H70 N O4 P -","- C52 H70 N O4 P -","- C416 H560 N8 O32 P8 -","8","2","","Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A.","Catalytic enantioselective synthesis of 2-aryl-chromenes","Chemical Science","2014","5","6","2277","","10.1039/c4sc00423j","","","1.54178","CuKα","","0.0357","0.0349","","","0.0937","0.0948","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516566","12.2225","0.0002","20.8872","0.0003","21.6966","0.0003","90","","90","","90","","5539.01","0.14","100","2","100.08","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C60 H69 B Cl2 F4 N O4 P Pd -","- C60 H69 B Cl2 F4 N O4 P Pd -","- C240 H276 B4 Cl8 F16 N4 O16 P4 Pd4 -","4","1","","Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A.","Catalytic enantioselective synthesis of 2-aryl-chromenes","Chemical Science","2014","5","6","2277","","10.1039/c4sc00423j","","","1.54178","CuKα","","0.0253","0.0234","","","0.052","0.0526","","","","","","0.919","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516574","7.7904","0.0014","14.7","0.003","19.469","0.003","90","","90","","90","","2229.6","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 I N3 O4 S -","- C22 H18 I N3 O4 S -","- C88 H72 I4 N12 O16 S4 -","4","1","","Tripathi, Chandra Bhushan; Mukherjee, Santanu","Catalytic enantioselective iodoaminocyclization of hydrazones.","Organic letters","2014","16","12","3368","3371","10.1021/ol5013982","","","0.71073","MoKα","","0.0973","0.0455","","","0.0901","0.1061","","","","","","0.935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516587","9.1581","0.0002","12.6857","0.0003","16.703","0.0003","90","","90","","90","","1940.5","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O5 -","- C22 H19 Br N2 O5 -","- C88 H76 Br4 N8 O20 -","4","1","","Han, Seo-Jung; Vogt, Florian; Krishnan, Shyam; May, Jeremy A.; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","A diastereodivergent synthetic strategy for the syntheses of communesin f and perophoramidine.","Organic letters","2014","16","12","3316","3319","10.1021/ol5013263","","","0.71073","MoKα","","0.0337","0.0252","","","0.0489","0.05","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1516596","9.1403","0.0002","12.3986","0.0003","15.0582","0.0004","90","","90","","90","","1706.5","0.07","292.11","0.1","292.11","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Chen, Jian-Jun; Chen, Chao-Jun; Yao, Xiao-Jun; Jin, Xiao-Jie; Gao, Kun","Eremophilane-Type Sesquiterpenoids with Diverse Skeletons from Ligularia sagitta.","Journal of natural products","2014","77","6","1329","1335","10.1021/np5003302","","","1.5418","CuKα","","0.035","0.0344","","","0.0954","0.0962","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516607","6.8751","0.0008","8.4919","0.001","22.997","0.003","90","","90","","90","","1342.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Br N O4 S -","- C11 H14 Br N O4 S -","- C44 H56 Br4 N4 O16 S4 -","4","1","","Chen, Ya-Jing; Chen, Ya-Heng; Feng, Chen-Guo; Lin, Guo-Qiang","Enantioselective Rhodium-Catalyzed Arylation of Cyclic N-Sulfamidate Alkylketimines: A New Access to Chiral β-Alkyl-β-aryl Amino Alcohols.","Organic letters","2014","16","12","3400","3403","10.1021/ol501464e","","","0.71073","MoKα","","0.0416","0.0325","","","0.0739","0.0765","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516618","11.2634","0.0003","15.8807","0.0005","21.1556","0.0014","90","","90","","90","","3784.1","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42.4 O13.2 -","- C35 H42.4 O13.2 -","- C140 H169.6 O52.8 -","4","1","","Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc","Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead.","Journal of natural products","2014","77","6","1505","1512","10.1021/np500271u","","","1.54187","CuKα","","0.0674","0.0447","","","0.0897","0.1055","","","","","","0.965","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516620","12.868","0.002","14.089","0.003","17.366","0.003","90","","90","","90","","3148.4","1","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 O13 -","- C30 H40 O13 -","- C120 H160 O52 -","4","1","","Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc","Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead.","Journal of natural products","2014","77","6","1505","1512","10.1021/np500271u","","","1.54187","CuKα","","0.1468","0.0998","","","0.1929","0.2318","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516621","13.373","0.0002","14.2814","0.0002","17.794","0.0012","90","","90","","90","","3398.4","0.2","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H44 O13 -","- C33 H44 O13 -","- C132 H176 O52 -","4","1","","Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc","Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead.","Journal of natural products","2014","77","6","1505","1512","10.1021/np500271u","","","1.54187","CuKα","","0.0393","0.033","","","0.0779","0.0893","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516627","5.6849","0.0008","7.6858","0.001","32.425","0.004","90","","90","","90","","1416.7","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 -","- C16 H14 Cl2 -","- C64 H56 Cl8 -","4","1","","Srinivas, Harathi D.; Zhou, Qi; Watson, Mary P.","Enantiospecific, nickel-catalyzed cross-couplings of allylic pivalates and arylboroxines.","Organic letters","2014","16","13","3596","3599","10.1021/ol5016724","","","1.54178","CuKα","","0.029","0.0288","","","0.0806","0.0807","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516628","6.5056","0.0006","8.2425","0.0008","21.78","0.002","90","","90","","90","","1167.9","0.19","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O4 S -","- C10 H15 N O4 S -","- C40 H60 N4 O16 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0259","0.0248","","","0.065","0.0658","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516629","8.4606","0.0003","9.8014","0.0003","14.3985","0.0005","90","","90","","90","","1194.01","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O4 S -","- C10 H15 N O4 S -","- C40 H60 N4 O16 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0352","0.0315","","","0.0786","0.0822","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516630","7.9045","0.0005","10.8117","0.0007","11.4208","0.0008","90","","90","","90","","976.03","0.11","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C32 H52 N4 O12 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0352","0.0306","","","0.0752","0.0787","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516632","6.4374","0.0004","11.8996","0.0007","12.6886","0.0007","90","","90","","90","","971.98","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O3 S -","- C8 H13 N O3 S -","- C32 H52 N4 O12 S4 -","4","1","","Choudhary, Amit; Newberry, Robert W.; Raines, Ronald T.","n→π* Interactions Engender Chirality in Carbonyl Groups.","Organic letters","2014","16","13","3421","3423","10.1021/ol5012967","","","0.71073","MoKα","","0.0237","0.0232","","","0.0637","0.0641","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516634","8.7505","0.0008","9.3028","0.0007","15.4206","0.0013","90","","90","","90","","1255.3","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C64 H56 O16 -","4","1","","Li, Xin; Lin, Mao-Hui; Han, Yu; Wang, Feng; Cheng, Jin-Pei","Correction to Asymmetric Diels-Alder Reaction of 3-Olefinic Benzofuran-2-ones and Polyenals: Construction of Chiral Spirocyclic Benzofuran-2-ones.","Organic letters","2014","16","14","3847","","10.1021/ol501615q","","","0.71073","MoKα","","0.0369","0.0366","","","0.096","0.0962","","","","","","1.144","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516654","9.332","0.0006","12.2796","0.0009","25.7432","0.0017","90","","90","","90","","2950","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H34 F6 N2 O10 S2 Zn -","- C19 H34 F6 N2 O10 S2 Zn -","- C76 H136 F24 N8 O40 S8 Zn4 -","4","1","","Monge, David; Martín-Zamora, Eloísa; Vazquez, Juan; Alcarazo, Manuel; Alvarez, Eleuterio; Fernandez, Rosario; Lassaletta, José M","Enantioselective conjugate addition of N,N-dialkylhydrazones to alpha-hydroxy enones.","Organic letters","2007","9","15","2867","2870","10.1021/ol071055+","","","0.71073","MoKα","","0.032","0.0264","","","0.0545","0.0562","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516705","5.9003","0.0003","14.002","0.0007","21.7297","0.001","90","","90","","90","","1795.22","0.15","180.01","0.1","180.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Yu, Yuanyuan; Wang, Chunyu; He, Xinze; Yao, Xiaotong; Zu, Liansuo","Efficient Assembly of Polysubstituted Pyrroles via a (3 + 2) Cycloaddition/Skeletal Rearrangement/Redox Isomerization Cascade Reaction.","Organic letters","2014","16","13","3580","3583","10.1021/ol501580b","","","0.7107","MoKα","","0.0538","0.042","","","0.098","0.1042","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516726","9.115","0.003","10.756","0.004","19.937","0.007","90","","90","","90","","1954.6","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C104 H92 N4 O8 -","4","1","","Marsh, Barrie J.; Adams, Harry; Barker, Mike D.; Kutama, Ibrahim U.; Jones, Simon","Enantioselective Catalytic Desymmetrization of Maleimides by Temporary Removal of an Internal Mirror Plane and Stereoablative Over-reduction: Synthesis of (R)-Pyrrolam A.","Organic letters","2014","16","14","3780","","10.1021/ol5016702","","","0.71073","MoKα","","0.0539","0.0442","","","0.1166","0.1248","","","","","","1.137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516727","8.755","0.003","11.955","0.003","19.235","0.005","90","","90","","90","","2013.3","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Marsh, Barrie J.; Adams, Harry; Barker, Mike D.; Kutama, Ibrahim U.; Jones, Simon","Enantioselective Catalytic Desymmetrization of Maleimides by Temporary Removal of an Internal Mirror Plane and Stereoablative Over-reduction: Synthesis of (R)-Pyrrolam A.","Organic letters","2014","16","14","3780","","10.1021/ol5016702","","","0.71073","MoKα","","0.1801","0.0754","","","0.1125","0.1477","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516743","10.6365","0.0012","16.1655","0.0019","18.138","0.002","90","","90","","90","","3118.7","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H36 N3 O P -","- C39 H36 N3 O P -","- C156 H144 N12 O4 P4 -","4","1","","Fekner, Tomasz; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis and application of quinazoline-oxazoline-containing (quinazox) ligands.","Organic letters","2006","8","22","5109","5112","10.1021/ol062023+","","","0.71073","MoKα","","0.0403","0.0378","","","0.0908","0.0924","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516744","10.9951","0.0015","16.296","0.002","18.095","0.003","90","","90","","90","","3242.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 N3 O P -","- C40 H38 N3 O P -","- C160 H152 N12 O4 P4 -","4","1","","Fekner, Tomasz; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis and application of quinazoline-oxazoline-containing (quinazox) ligands.","Organic letters","2006","8","22","5109","5112","10.1021/ol062023+","","","0.71073","MoKα","","0.0331","0.031","","","0.0752","0.0767","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516753","7.6565","0.0005","16.5845","0.0011","27.3457","0.0018","90","","90","","90","","3472.3","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H59 N O2 Si2 -","- C35 H59 N O2 Si2 -","- C140 H236 N4 O8 Si8 -","4","1","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. The total synthesis of (+)-nodulisporic acid F.","Organic letters","2006","8","8","1665","1668","10.1021/ol060290+","","","0.71069","MoKα","","0.0553","0.0498","","","0.1074","0.111","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516765","5.6661","0.0004","10.9417","0.0006","17.4225","0.0009","90","","90","","90","","1080.14","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O S -","- C11 H13 N O S -","- C44 H52 N4 O4 S4 -","4","1","","Guntreddi, Tirumaleswararao; Vanjari, Rajeshwer; Singh, Krishna Nand","Decarboxylative Thioamidation of Arylacetic and Cinnamic Acids: A New Approach to Thioamides.","Organic letters","2014","16","14","3624","","10.1021/ol501482g","","","0.71073","MoKα","","0.0847","0.0612","","","0.1526","0.174","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516798","6.2502","0.00011","7.11208","0.00013","31.0868","0.0006","90","","90","","90","","1381.87","0.04","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br O4 -","- C14 H15 Br O4 -","- C56 H60 Br4 O16 -","4","1","","Choi, Jae-Hoon; Suzuki, Tomohiro; Okumura, Hiroshi; Noguchi, Keiichi; Kondo, Mitsuru; Nagai, Kaoru; Hirai, Hirofumi; Kawagishi, Hirokazu","Endoplasmic Reticulum Stress Suppressive Compounds from the Edible Mushroom Mycoleptodonoides aitchisonii.","Journal of natural products","2014","77","7","1729","1733","10.1021/np500075m","","","1.54187","CuKα","","0.0254","0.0235","","","0.0594","0.0612","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516826","9.264","0.0001","10.161","0.0003","30.399","0.0007","90","","90","","90","","2861.5","0.11","298","2","298","2","","","","","","","Ganoderma sp. KM01","3","P 21 21 21","P 2ac 2ab","19","Ganodermalactone C","","","- C32 H46 O6 -","- C32 H46 O6 -","- C128 H184 O24 -","4","1","","Lakornwong, Waranya; Kanokmedhakul, Kwanjai; Kanokmedhakul, Somdej; Kongsaeree, Palangpon; Prabpai, Samran; Sibounnavong, Phoutthasone; Soytong, Kasem","Triterpene Lactones from Cultures of Ganoderma sp. KM01.","Journal of natural products","2014","77","7","1545","1553","10.1021/np400846k","","x-ray","0.71073","MoKα","","0.087","0.0538","","","0.1181","0.1334","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516828","7.13","0.0003","15.575","0.0011","22.969","0.0015","90","","90","","90","","2550.7","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ganodermalactone H","","","- C30 H36 O6 -","- C30 H36 O6 -","- C120 H144 O24 -","4","1","","Lakornwong, Waranya; Kanokmedhakul, Kwanjai; Kanokmedhakul, Somdej; Kongsaeree, Palangpon; Prabpai, Samran; Sibounnavong, Phoutthasone; Soytong, Kasem","Triterpene Lactones from Cultures of Ganoderma sp. KM01.","Journal of natural products","2014","77","7","1545","1553","10.1021/np400846k","","","0.71073","MoKα","","0.057","0.0425","","","0.0964","0.1097","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516862","8.682","0.0002","9.564","0.0002","16.611","0.0003","90","","90","","90","","1379.29","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly(u-(2-pyridinecarboxylato-N,O,O')-(N,N'-dimethylformamide-O)- aqua-(nitrato-O,O')calcium(II))","","- C9 H13 Ca N3 O7 -","- C9 H13 Ca N3 O7 -","- C36 H52 Ca4 N12 O28 -","4","1","","Barbara Barszcz; Joanna Masternak; Maciej Hodorowicz; Ewa Matczak-Jon; Agnieszka Jablonska-Wawrzycka; Katarzyna Stadnicka; Malgorzata Zienkiewicz; Karolina Krolewska; Julia Kazmierczak-Baranska","Synthesis, crystal structure and NMR investigation of novel Ca(II) complexes with heterocyclic alcohol, aldehyde and carboxylate ligands. Evaluation of Ca(II) and Cd(II) analogues for anticancer activity","Inorganica Chimica Acta","2013","399","","85","94","","","","0.71073","MoKα","","0.0244","0.0222","","","0.0556","0.0564","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516903","7.8518","0.0013","9.7379","0.0016","12.171","0.002","90","","90","","90","","930.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 N Na Ni O7 -","- C6 H8 N Na Ni O7 -","- C24 H32 N4 Na4 Ni4 O28 -","4","1","","Jing Jin; Yu Ding; Yuan-Yuan Gong; Sheng-Mei Cong; Yu-Xian Chi; Guang-Ning Zhang; Shu-Yun Niu","Synthesis, structure and surface photo-electric property of Ni(II) complexes","Inorganica Chimica Acta","2013","399","","227","235","","","","0.71073","MoKα","","0.0268","0.0244","","","0.0508","0.0519","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516973","5.3994","0.0012","14.277","0.004","20.499","0.005","90","","90","","90","","1580.2","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Mukherjee, Manjira; Pal, Siddhartha; Lohar, Somenath; Sen, Buddhadeb; Sen, Supriti; Banerjee, Samya; Banerjee, Snehasis; Chattopadhyay, Pabitra","A napthelene-pyrazol conjugate: Al(iii) ion-selective blue shifting chemosensor applicable as biomarker in aqueous solution.","The Analyst","2014","139","19","4828","4835","10.1039/c4an01039f","","","0.71073","MoKα","","0.2337","0.0683","","","0.114","0.1656","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517014","10.394","0.0001","15.2446","0.0002","18.0777","0.0002","90","","90","","90","","2864.45","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 F2 Ti -","- C32 H50 F2 Ti -","- C128 H200 F8 Ti4 -","4","1","","Vladimir V. Burlakov; Konstantin A. Lyssenko; Anke Spannenberg; Wolfgang Baumann; Perdita Arndt; Vladimir B. Shur; Uwe Rosenthal","Reactivity of functionalised decamethyltitanocenes: Synthesis and structure of chiral monocyclopentadienyl titanium halogenides","Inorganica Chimica Acta","2013","401","","76","80","","","","0.71073","MoKα","","0.034","0.0315","","","0.0837","0.0857","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517043","8.7076","0.0014","15.686","0.003","19.368","0.003","90","","90","","90","","2645.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N6 O6 Zn -","- C24 H24 N6 O6 Zn -","- C96 H96 N24 O24 Zn4 -","4","1","","Rui-Li Zhao; Ke-Fen Yue; Chun-sheng Zhou; Qiao-De-Mei Cheng; Jing-Tao Shi; Yong-Liang Liu; Yao-Yu Wang","A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane","Inorganica Chimica Acta","2013","402","","25","32","","","","0.71073","MoKα","","0.0857","0.0646","","","0.173","0.1975","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517085","9.1575","0.0014","13.84","0.002","14.879","0.002","90","","90","","90","","1885.8","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","1","","Nair, Vijay; Biju, A. T.; Abhilash, K. G.; Menon, Rajeev S.; Suresh, Eringathodi","Reaction of diaryl-1,2-diones with triphenylphosphine and diethyl azodicarboxylate leading to N,N-dicarboethoxy monohydrazones via a novel rearrangement.","Organic letters","2005","7","11","2121","2123","10.1021/ol050403+","","","0.71073","MoKα","","0.0473","0.0421","","","0.1099","0.1142","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517096","8.5556","0.0001","10.4982","0.0002","14.8086","0.0002","90","","90","","90","","1330.08","0.03","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Mo O5 -","- C12 H12 Mo O5 -","- C48 H48 Mo4 O20 -","4","1","","Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.","Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation","Catal. Sci. Technol.","2014","4","12","4219","","10.1039/C4CY00738G","","x-ray","0.71073","MoKα","","0.021","0.0208","","","0.0542","0.0544","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517098","7.417","0.0002","7.6621","0.0002","34.3794","0.0009","90","","90","","90","","1953.77","0.09","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Mo O5 -","- C20 H24 Mo O5 -","- C80 H96 Mo4 O20 -","4","1","","Grover, Nidhi; Pöthig, Alexander; Kühn, Fritz E.","Cyclopentadienyl molybdenum alkyl ester complexes as catalyst precursors for olefin epoxidation","Catal. Sci. Technol.","2014","4","12","4219","","10.1039/C4CY00738G","","x-ray","0.71073","MoKα","","0.0707","0.055","","","0.0905","0.0943","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517120","6.6803","0.0004","10.1921","0.0006","16.8279","0.001","90","","90","","90","","1145.75","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br N O -","- C13 H12 Br N O -","- C52 H48 Br4 N4 O4 -","4","1","","Du, Xiang-Wei; Ghosh, Avipsa; Stanley, Levi M.","Enantioselective synthesis of polycyclic nitrogen heterocycles by rh-catalyzed alkene hydroacylation: constructing six-membered rings in the absence of chelation assistance.","Organic letters","2014","16","15","4036","4039","10.1021/ol501869s","","","0.71073","MoKα","","0.0262","0.022","","","0.0497","0.0506","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517128","6.888","0.0003","12.1511","0.0008","12.551","0.0006","90","","90","","90","","1050.48","0.1","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Br2 V -","- C10 H10 Br2 V -","- C40 H40 Br8 V4 -","4","1","","Iva Klepalova; Jan Honzicek; Jaromir Vinklarek; Zdenka Padelkova; Lucie Sebestova; Martina Rezacova","Vanadocene and niobocene dihalides containing electron-withdrawing substituents in the cyclopentadienyl rings: Synthesis, characterization and cytotoxicity","Inorganica Chimica Acta","2013","402","","109","115","","","","0.71073","MoKα","","0.0531","0.0422","","","0.1019","0.1109","","","","","","1.148","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517134","11.4507","0.0009","15.4651","0.0013","28.495","0.002","90","","90","","90","","5046.1","0.7","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H52 N2 O6 Ti -","- C65 H52 N2 O6 Ti -","- C260 H208 N8 O24 Ti4 -","4","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71073","MoKα","","0.0584","0.0451","","","0.0947","0.1014","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517136","13.487","0.0012","18.25","0.0016","26.636","0.002","90","","90","","90","","6556.1","1","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H50 N2 O4 Ti -","- C62 H50 N2 O4 Ti -","- C248 H200 N8 O16 Ti4 -","4","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71075","MoKα","","0.0518","0.0484","","","0.1413","0.1452","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517137","10.021","0.002","10.7958","0.0016","34.202","0.005","90","","90","","90","","3700.1","1.1","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H55 N O4 Ti -","- C41 H55 N O4 Ti -","- C164 H220 N4 O16 Ti4 -","4","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","1.54187","CuKα","","0.0323","0.0298","","","0.07","0.0709","","","","","","1.003","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517139","14.426","0.004","17.398","0.004","34.21","0.008","90","","90","","90","","8586","4","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81 H58 N6 O4 Ti -","- C81 H58 N6 O4 Ti -","- C324 H232 N24 O16 Ti4 -","4","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71075","MoKα","","0.0983","0.0693","","","0.1448","0.1566","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517157","5.4679","0.0009","8.3878","0.0013","45.772","0.007","90","","90","","90","","2099.3","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O2 S -","- C24 H29 N O2 S -","- C96 H116 N4 O8 S4 -","4","1","","Harmata, Michael; Hong, Xuechuan; Barnes, Charles L.","Benzothiazines in synthesis. Toward the synthesis of pseudopteroxazole.","Organic letters","2004","6","13","2201","2203","10.1021/ol049334+","","","0.71073","MoKα","","0.1553","0.0671","","","0.1479","0.1932","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517165","12.936","0.0018","17.448","0.002","21.111","0.003","90","","90","","90","","4764.9","1.1","15","2","15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 Cl9 N2 O11 -","- C38 H53 Cl9 N2 O11 -","- C152 H212 Cl36 N8 O44 -","4","1","","Kim, Ki Hyun; Ramadhar, Timothy R.; Beemelmanns, Christine; Cao, Shugeng; Poulsen, Michael; Currie, Cameron R.; Clardy, Jon","Natalamycin A, an Ansamycin from a Termite-Associated Streptomyces sp.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","11","4333","4338","10.1039/C4SC01136H","","","0.41328","synchrotron","","0.0649","0.0635","","","0.184","0.1913","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517179","6.859","0.0005","7.8956","0.0006","18.6936","0.0013","90","","90","","90","","1012.37","0.13","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl O2 -","- C11 H11 Cl O2 -","- C44 H44 Cl4 O8 -","4","1","","Zhou, Lin; Liu, Xiaohua; Ji, Jie; Zhang, Yuheng; Wu, Wangbin; Liu, Yangbin; Lin, Lili; Feng, Xiaoming","Regio- and enantioselective baeyer-villiger oxidation: kinetic resolution of racemic 2-substituted cyclopentanones.","Organic letters","2014","16","15","3938","3941","10.1021/ol501737a","","","0.71073","MoKα","","0.0613","0.0427","","","0.0829","0.094","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517186","14.316","","14.631","","22.305","","90","","90","","90","","4671.95","","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H66 Lu N2 O P Si2 -","- C44 H66 Lu N2 O P Si2 -","- C176 H264 Lu4 N8 O4 P4 Si8 -","4","1","","Liu, Bo; Li, Lei; Sun, Guangping; Liu, Jingyao; Wang, Meiyan; Li, Shihui; Cui, Dongmei","3,4-Polymerization of Isoprene by Using NSN- and NPN-Ligated Rare Earth Metal Precursors: Switching of Stereo Selectivity and Mechanism","Macromolecules","2014","47","15","4971","","10.1021/ma501085c","","","0.71073","MoKα","","0.0711","0.0494","","","0.0982","0.106","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517194","8.2349","0.0003","12.5658","0.0004","12.99","0.0005","90","","90","","90","","1344.18","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Zhao, Depeng; Fañanás-Mastral, Martín; Chang, Mu-Chieh; Otten, Edwin; Feringa, Ben L.","Asymmetric synthesis of N,O-heterocycles via enantioselective iridium-catalysed intramolecular allylic amidation","Chem. Sci.","2014","5","11","4216","","10.1039/C4SC01940G","","","0.71073","MoKα","","0.0347","0.0325","","","0.082","0.0836","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517197","13.973","0.0015","16.4623","0.0017","22.216","0.002","90","","90","","90","","5110.3","0.9","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47.5 H40 Cl2 O7.5 P2 -","- C47.5 H44 Cl2 O7.5 P2 -","- C190 H176 Cl8 O30 P8 -","4","1","","Qiu, Liqin; Qi, Jianying; Pai, Cheng-Chao; Chan, Shusun; Zhou, Zhongyuan; Choi, Michael C. K.; Chan, Albert S. C.","Synthesis of novel diastereomeric diphosphine ligands and their applications in asymmetric hydrogenation reactions.","Organic letters","2002","4","26","4599","4602","10.1021/ol026817+","","","0.71073","MoKα","","0.1439","0.0643","","","0.1525","0.1769","","","","","","0.995","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517209","12.1107","0.0003","19.736","0.0008","20.335","0.0008","90","","90","","90","","4860.4","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 F6 N4 O4 Zn2 -","- C48 H54 F6 N4 O4 Zn2 -","- C192 H216 F24 N16 O16 Zn8 -","4","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0734","0.0434","","","0.0788","0.0909","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517212","13.5462","0.0005","19.2935","0.0007","20.7468","0.0007","90","","90","","90","","5422.3","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H60 F6 N4 O4 Zn2 -","- C58 H60 F6 N4 O4 Zn2 -","- C232 H240 F24 N16 O16 Zn8 -","4","1","","Ellis, W. Chadwick; Jung, Yukyung; Mulzer, Michael; Di Girolamo, Rocco; Lobkovsky, Emil B.; Coates, Geoffrey W.","Copolymerization of CO2and meso epoxides using enantioselective β-diiminate catalysts: a route to highly isotactic polycarbonates","Chemical Science","2014","5","10","4004","","10.1039/C4SC01686F","","","0.71073","MoKα","","0.0319","0.0271","","","0.0639","0.066","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517218","6.8426","0.0011","12.785","0.002","29.768","0.005","90","","90","","90","","2604.2","0.7","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C120 H144 O24 -","8","2","","Chuang, Hsiang-Yu; Isobe, Minoru","Novel synthesis of right segment of solanoeclepin a.","Organic letters","2014","16","16","4166","4169","10.1021/ol501858w","","","0.71073","MoKα","","0.0781","0.0522","","","0.1119","0.1241","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517219","7.2566","0.0004","10.5786","0.0006","19.4869","0.0008","90","","90","","90","","1495.91","0.13","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Chuang, Hsiang-Yu; Isobe, Minoru","Novel synthesis of right segment of solanoeclepin a.","Organic letters","2014","16","16","4166","4169","10.1021/ol501858w","","","0.71073","MoKα","","0.051","0.0413","","","0.1061","0.1238","","","","","","1.144","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517228","10.1386","0.0011","14.3557","0.0017","14.5248","0.0016","90","","90","","90","","2114","0.4","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl2 N O2 Pd S -","- C20 H23 Cl2 N O2 Pd S -","- C80 H92 Cl8 N4 O8 Pd4 S4 -","4","1","","Kondo, Hiroki; Yu, Feng; Yamaguchi, Junichiro; Liu, Guosheng; Itami, Kenichiro","Branch-Selective Allylic C-H Carboxylation of Terminal Alkenes by Pd/sox Catalyst.","Organic letters","2014","16","16","4212","4215","10.1021/ol5019135","","","0.71075","MoKα","","0.0258","0.0239","","","0.0479","0.0497","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517231","5.624","0.003","16.55","0.01","19.16","0.012","90","","90","","90","","1783.4","1.8","100","2","100","2","","","","","","","as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Clark, J. Stephen; Delion, Laetitia; Farrugia, Louis J.","Total synthesis of the purported structure of sclerophytin f.","Organic letters","2014","16","16","4300","4303","10.1021/ol5020152","","x-ray","0.71073","MoKα","","0.0701","0.044","","","0.0941","0.1027","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517237","6.2769","0.0001","19.0465","0.0002","20.3494","0.0004","90","","90","","90","","2432.83","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N O6 -","- C26 H35 N O6 -","- C104 H140 N4 O24 -","4","1","","Logan, Angus W. J.; Sprague, Simon J.; Foster, Robert W.; Marx, Léo B; Garzya, Vincenzo; Hallside, Michal S.; Thompson, Amber L.; Burton, Jonathan W.","Diastereoselective synthesis of fused lactone-pyrrolidinones; application to a formal synthesis of (-)-salinosporamide a.","Organic letters","2014","16","16","4078","4081","10.1021/ol501662t","","","0.6889","Synchrotron","","0.0425","0.0383","","0.0999","0.0921","0.0999","","","","","","0.9344","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517245","8.9059","0.0005","11.2218","0.0006","22.076","0.0011","90","","90","","90","","2206.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(OC-6-22)-((1R,2R)-diaminocyclohexane)bis(oxalato)platinum(IV)","","- C16 H28 N4 O10 Pt -","- C16 H28 N4 O10 Pt -","- C64 H112 N16 O40 Pt4 -","4","1","","Varbanov, Hristo P.; Göschl, Simone; Heffeter, Petra; Theiner, Sarah; Roller, Alexander; Jensen, Frank; Jakupec, Michael A.; Berger, Walter; Galanski, Markus; Keppler, Bernhard K.","A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs.","Journal of medicinal chemistry","2014","57","15","6751","6764","10.1021/jm500791c","","","0.71073","MoKα","","0.0552","0.0472","","","0.1056","0.1087","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517257","7.108","0.003","9.283","0.003","15.675","0.006","90","","90","","90","","1034.3","0.7","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Et-G1)1:LiBF4","","- C6 H14 B F4 Li O2 -","- C6 H14 B F4 Li O2 -","- C24 H56 B4 F16 Li4 O8 -","4","1","","Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes","The Journal of Physical Chemistry C","2014","118","32","18377","","10.1021/jp5046782","","","0.71073","MoKα","","0.0541","0.0326","","","0.055","0.0605","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517260","5.173","0.002","11.741","0.006","13.35","0.005","90","","90","","90","","810.8","0.6","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(MMA)1:LiBF4","","- C4 H8 B F4 Li O3 -","- C4 H8 B F4 Li O3 -","- C16 H32 B4 F16 Li4 O12 -","4","1","","Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes","The Journal of Physical Chemistry C","2014","118","32","18377","","10.1021/jp5046782","","","0.71073","MoKα","","0.0373","0.0299","","","0.0652","0.0683","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517261","4.9525","0.0015","9.1","0.003","15.704","0.002","90","","90","","90","","707.7","0.3","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(SN)1:LiBF4","","- C4 H4 B F4 Li N2 -","- C4 H4 B F4 Li N2 -","- C16 H16 B4 F16 Li4 N8 -","4","1","","Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes","The Journal of Physical Chemistry C","2014","118","32","18377","","10.1021/jp5046782","","","0.71073","MoKα","","0.0435","0.0297","","","0.0563","0.0588","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517267","8.4688","0.0001","9.616","0.0002","32.4284","0.0005","90","","90","","90","","2640.84","0.08","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O6 -","- C30 H38 O6 -","- C120 H152 O24 -","4","1","","Yang, Yong-Xun; Shan, Lei; Liu, Qing-Xin; Shen, Yun-Heng; Zhang, Jian-Ping; Ye, Ji; Xu, Xi-Ke; Li, Hui-Liang; Zhang, Wei-Dong","Carpedilactones A-D, Four New Isomeric Sesquiterpene Lactone Dimers with Potent Cytotoxicity from Carpesium faberi.","Organic letters","2014","16","16","4216","4219","10.1021/ol501923k","","","1.54178","CuKα","","0.0373","0.0366","","","0.0934","0.0941","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517270","12.4064","0.0002","17.4016","0.0003","25.8891","0.0005","90","","90","","90","","5589.23","0.17","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61 H54 Cl4 N4 O2 P2 Zn2 -","- C61 H54 Cl4 N4 O2 P2 Zn2 -","- C244 H216 Cl16 N16 O8 P8 Zn8 -","4","1","","Lippert, Cameron A.; Liu, Kun; Sarma, Moushumi; Parkin, Sean R.; Remias, Joseph E.; Brandewie, Christine M.; Odom, Susan A.; Liu, Kunlei","Improving carbon capture from power plant emissions with zinc- and cobalt-based catalysts","Catal. Sci. Technol.","2014","4","10","3620","","10.1039/C4CY00766B","","","1.54178","CuKα","","0.0341","0.0332","","","0.0918","0.0928","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517277","10.3994","0.0002","12.5671","0.0002","12.064","0.0002","90","","90","","90","","1576.65","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Codeine Monohydrate","(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol monohydrate","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","1.5418","CuKα","","0.0307","0.03","","","0.0782","0.0789","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517278","6.7621","0.0005","12.9315","0.0009","20.308","0.0014","90","","90","","90","","1775.8","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Codeine Hydrochloride Dihydrate","(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol hydrochloride dihydrate","","- C18 H26 Cl N O5 -","- C18 H26 Cl N O5 -","- C72 H104 Cl4 N4 O20 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","0.71073","MoKα","","0.0287","0.0257","","","0.0637","0.0647","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517279","7.14435","0.00017","13.2304","0.0003","16.5408","0.0004","90","","90","","90","","1563.48","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Codeine Hydrochloride Anhydrate I","(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol hydrochloride","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C72 H88 Cl4 N4 O12 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","0.71073","MoKα","","0.032","0.0298","","","0.0727","0.0739","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517280","7.08246","0.00018","13.1493","0.0003","18.0581","0.0005","90","","90","","90","","1681.74","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ethylmorphine Monohydrate","(5a,6a)-7,8-didehydro-4,5-epoxy-3-ethoxy-17-methylmorphinan-6-ol","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","0.71073","MoKα","","0.0334","0.0308","","","0.0725","0.0738","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517281","6.8715","0.0002","13.3924","0.0004","20.4176","0.0005","90","","90","","90","","1878.95","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ethylmorphine Hydrochloride Dihydrate","(5a,6a)-7,8-didehydro-4,5-epoxy-3-ethoxy-17-methylmorphinan-6-ol hydrochloride dihydrate","","- C19 H28 Cl N O5 -","- C19 H28 Cl N O5 -","- C76 H112 Cl4 N4 O20 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","1.5418","CuKα","","0.043","0.0397","","","0.1055","0.1085","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517284","7.37972","0.00012","14.8985","0.0002","16.3419","0.0003","90","","90","","90","","1796.74","0.05","105","7","105","7","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br N2 O3 -","- C22 H17 Br N2 O3 -","- C88 H68 Br4 N8 O12 -","4","1","","Ransborg, Lars Krogager; Overgaard, Mette; Hejmanowska, Joanna; Barfüsser, Sebastian; Jørgensen, Karl Anker; Albrecht, Lukasz","Asymmetric Formation of Bridged Benzoxazocines through an Organocatalytic Multicomponent Dienamine-Mediated One-Pot Cascade.","Organic letters","2014","16","16","4182","4185","10.1021/ol501882x","","x-ray","0.71073","MoKα","","0.0306","0.0284","","","0.0642","0.0653","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517285","5.5066","0.0001","14.1867","0.0002","20.951","0.0004","90","","90","","90","","1636.7","0.05","193","2","193","2","","","","","","","Schomaker Lab No. SCS2037","4","P 21 21 21","P 2ac 2ab","19","","4-methoxy-2-(1-(naphthalen-2-ylsulfonyl)ethyl)phenol","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C76 H72 O16 S4 -","4","1","","Van Hoveln, R. J.; Schmid, S. C.; Tretbar, M.; Buttke, C. T.; Schomaker, J. M.","Formal asymmetric hydrobromination of styrenes via copper-catalyzed 1,3-halogen migration","Chem. Sci.","2014","5","12","4763","","10.1039/C4SC02040E","","x-ray","1.54184","CuKα","K-L~3~","0.0282","0.0279","","","0.0755","0.0757","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517301","11.5105","0.0012","14.3683","0.0015","25.09","0.003","90","","90","","90","","4149.5","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H40 Br2 P2 Pd -","- C48 H40 Br2 P2 Pd -","- C192 H160 Br8 P8 Pd4 -","4","1","","Cabrera, Armando; Sharma, Pankaj; Pérez-Flores, F. Javier; Velasco, Luis; Arias, J. Luis; Rubio-Pérez, Laura","Diastereo- and enantioselective reductive amination of cycloaliphatic ketones by preformed chiral palladium complexes","Catalysis Science & Technology","2014","4","8","2626","","10.1039/c4cy00058g","","","0.71073","MoKα","","0.038","0.0297","","","0.0612","0.064","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517350","7.8669","0.0013","10.4681","0.0018","17.696","0.003","90","","90","","90","","1457.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C48 H72 N8 O24 -","4","1","","Jia, Xiangxiang; Li, Yan; Xiao, Longqiang; Liu, Lijian","Synthesis and characterization of fluorescent oligo(3,4,5-triethoxycarbonyl-2-pyrazoline)","Polymer Chemistry","2014","5","16","4781","","10.1039/C4PY00315B","","","0.71073","MoKα","","0.0574","0.0498","","","0.1358","0.1435","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517372","8.5098","0.0002","12.702","0.0003","25.9391","0.0004","90","","90","","90","","2803.8","0.1","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O4 -","- C30 H50 O4 -","- C120 H200 O16 -","4","1","","Wang, Hongmin; Ning, Ruonan; Shen, Yu; Chen, Zhenhua; Li, Jinlong; Zhang, Rujun; Leng, Ying; Zhao, Weimin","Lithocarpic Acids A-N, 3,4-seco-Cycloartane Derivatives from the Cupules of Lithocarpus polystachyus.","Journal of natural products","2014","77","8","1910","","10.1021/np500379f","","","1.54178","CuKα","","0.0504","0.0453","","","0.1196","0.1256","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517374","7.6982","0.0012","19.44","0.003","21.085","0.003","90","","90","","90","","3155.4","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O6 -","- C30 H48 O6 -","- C120 H192 O24 -","4","1","","Wang, Hongmin; Ning, Ruonan; Shen, Yu; Chen, Zhenhua; Li, Jinlong; Zhang, Rujun; Leng, Ying; Zhao, Weimin","Lithocarpic Acids A-N, 3,4-seco-Cycloartane Derivatives from the Cupules of Lithocarpus polystachyus.","Journal of natural products","2014","77","8","1910","","10.1021/np500379f","","","1.54178","CuKα","","0.1459","0.1279","","","0.3179","0.3386","","","","","","1.407","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517376","9.5101","0.0002","13.9479","0.0003","14.2836","0.0003","90","","90","","90","","1894.66","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O7 -","- C20 H30 O7 -","- C80 H120 O28 -","4","1","","Zeng, Junfen; Xue, Yongbo; Shu, Penghua; Qian, Huiqin; Sa, Rongjian; Xiang, Ming; Li, Xiao-Nian; Luo, Zengwei; Yao, Guangmin; Zhang, Yonghui","Diterpenoids with Immunosuppressive Activities from Cinnamomum cassia.","Journal of natural products","2014","77","8","1948","","10.1021/np500465g","","","1.54178","CuKα","","0.0332","0.033","","","0.084","0.0842","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517377","10.41133","0.00012","16.7811","0.00018","19.4871","0.0002","90","","90","","90","","3404.66","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C160 H208 N16 O8 -","8","2","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.0289","0.0281","","","0.0721","0.0729","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517378","12.5408","0.0001","12.5941","0.0001","21.8561","0.0003","90","","90","","90","","3451.95","0.06","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C160 H192 N16 O24 -","8","2","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.0339","0.0319","","","0.0763","0.0779","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517381","8.13883","0.00013","10.17692","0.00016","21.8799","0.0003","90","","90","","90","","1812.27","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C80 H112 N8 O12 -","4","1","","Tang, Ben-Qin; Wang, Wen-Jing; Huang, Xiao-Jun; Li, Guo-Qiang; Wang, Lei; Jiang, Ren-Wang; Yang, Ting-Ting; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Iboga-Type Alkaloids from Ervatamia officinalis.","Journal of natural products","2014","77","8","1839","","10.1021/np500240b","","","1.54178","CuKα","","0.0277","0.0275","","","0.0738","0.0742","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517382","7.2595","0.0007","7.5636","0.0005","36.246","0.003","90","","90","","90","","1990.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O7 S2 -","- C19 H20 N2 O7 S2 -","- C76 H80 N8 O28 S8 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Lv, Cui-Ting; Huang, Cai-Guo; Wang, Bin-Gui","Brocazines A-F, Cytotoxic Bisthiodiketopiperazine Derivatives from Penicillium brocae MA-231, an Endophytic Fungus Derived from the Marine Mangrove Plant Avicennia marina.","Journal of natural products","2014","77","8","1921","","10.1021/np500382k","","","0.71073","MoKα","","0.098","0.065","","","0.1352","0.1595","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517394","8.7271","0.0012","10.0996","0.0014","18.599","0.003","90","","90","","90","","1639.3","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O6 -","- C15 H26 O6 -","- C60 H104 O24 -","4","1","","Wu, Yi-Biao; Tang, Yu; Luo, Guo-Ying; Chen, Yang; Hsung, Richard P.","An Approach toward Constructing the Trioxadispiroketal Core in the DEF-Ring of (+)-Spirastrellolide A.","Organic letters","2014","16","17","4550","","10.1021/ol502103b","","","0.71075","MoKα","","0.0851","0.0545","","","0.1122","0.129","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517404","5.66941","0.00019","10.876","0.0004","23.9077","0.0007","90","","90","","90","","1474.16","0.09","110.02","0.1","110.02","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O7 -","- C16 H20 O7 -","- C64 H80 O28 -","4","1","","Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang","Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231.","Journal of natural products","2014","77","9","2021","2028","10.1021/np500340y","","","1.5418","CuKα","","0.033","0.0313","","","0.0765","0.0779","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517405","6.16471","0.00007","11.40078","0.00015","23.0795","0.0003","90","","90","","90","","1622.09","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O10 -","- C17 H20 O10 -","- C68 H80 O40 -","4","1","","Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang","Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231.","Journal of natural products","2014","77","9","2021","2028","10.1021/np500340y","","","1.5418","CuKα","","0.0283","0.0265","","","0.0653","0.0672","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517406","7.9773","0.0001","20.0228","0.0003","20.8545","0.0003","90","","90","","90","","3331.05","0.08","119.99","0.18","119.99","0.18","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C152 H160 O48 -","8","2","","Zhou, Xue-Ming; Zheng, Cai-Juan; Chen, Guang-Ying; Song, Xiao-Ping; Han, Chang-Ri; Li, Gao-Nan; Fu, Yan-Hui; Chen, Wen-Hao; Niu, Zhi-Gang","Bioactive Anthraquinone Derivatives from the Mangrove-Derived Fungus Stemphylium sp. 33231.","Journal of natural products","2014","77","9","2021","2028","10.1021/np500340y","","","1.54184","CuKα","","0.0335","0.0303","","","0.0704","0.0725","","","","","","1.036","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517408","6.1375","0.0012","7.7099","0.0015","20.954","0.004","90","","90","","90","","991.5","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl O2 -","- C11 H11 Cl O2 -","- C44 H44 Cl4 O8 -","4","1","","Lu, Aidang; Wang, Jinjin; Liu, Tengjiao; Han, Jian; Li, Yinhui; Su, Min; Chen, Jianxin; Zhang, Hui; Wang, Lizhong; Wang, Qingmin","Small Changes Result in Large Differences: Discovery of (-)-Incrustoporin Derivatives as Novel Antiviral and Antifungal Agents.","Journal of agricultural and food chemistry","2014","62","35","8799","8807","10.1021/jf503060k","","","0.71073","MoKα","","0.0422","0.0373","","","0.0854","0.0889","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517409","11.012","0.002","11.015","0.002","12.183","0.002","90","","90","","90","","1477.8","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C60 H92 N4 O12 -","4","1","","Long, Jing; Zhang, Shan-Feng; Wang, Pan-Pan; Zhang, Xue-Mei; Yang, Zhong-Jin; Zhang, Quan; Chen, Yue","Total syntheses of parthenolide and its analogues with macrocyclic stereocontrol.","Journal of medicinal chemistry","2014","57","16","7098","7112","10.1021/jm5009456","","","0.71073","MoKα","","0.0541","0.0424","","","0.0801","0.0856","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517410","6.1945","0.0019","10.289","0.002","21.907","0.005","90","","90","","90","","1396.2","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Long, Jing; Zhang, Shan-Feng; Wang, Pan-Pan; Zhang, Xue-Mei; Yang, Zhong-Jin; Zhang, Quan; Chen, Yue","Total syntheses of parthenolide and its analogues with macrocyclic stereocontrol.","Journal of medicinal chemistry","2014","57","16","7098","7112","10.1021/jm5009456","","","1.54187","CuKα","","0.0658","0.0618","","","0.1276","0.1322","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517411","12.1699","0.001","12.3165","0.0016","24.075","0.003","90","","90","","90","","3608.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H52 O12 -","- C37 H52 O12 -","- C148 H208 O48 -","4","1","","Sarigaputi, Chanin; Sommit, Damrong; Teerawatananond, Thapong; Pudhom, Khanitha","Weakly Anti-inflammatory Limonoids from the Seeds of Xylocarpus rumphii.","Journal of natural products","2014","77","9","2037","2043","10.1021/np5003687","","","0.71073","MoKα","","0.075","0.054","","","0.1545","0.1888","","","","","","0.774","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517420","8.7054","0.0003","15.5955","0.0005","38.4153","0.0012","90","","90","","90","","5215.5","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 Br Cl F3 N3 O4 -","- C27 H20 Br Cl F3 N3 O4 -","- C216 H160 Br8 Cl8 F24 N24 O32 -","8","2","","Zhao, Mei-Xin; Bi, Hong-Lei; Jiang, Rong-Hui; Xu, Xu-Wei; Shi, Min","Cinchona Alkaloid Squaramide/AgOAc Cooperatively Catalyzed Diastereo- and Enantioselective Mannich/Cyclization Cascade Reaction of Isocyanoacetates and Cyclic Trifluoromethyl Ketimines.","Organic letters","2014","16","17","4566","","10.1021/ol502123z","","","0.71073","MoKα","","0.0587","0.0391","","","0.0692","0.0759","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517428","17.4299","0.0011","17.8218","0.001","28.919","0.0016","90","","90","","90","","8983.2","0.9","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C92 H134 Cl Li2 N2 O11 Yb -","- C92 H134 Cl Li2 N2 O11 Yb -","- C368 H536 Cl4 Li8 N8 O44 Yb4 -","4","1","","Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming","Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.","Organic letters","2014","16","17","4516","","10.1021/ol5020398","","","0.71075","MoKα","","0.0578","0.05","","","0.0958","0.1018","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517429","17.533","0.0011","17.8098","0.0011","28.931","0.002","90","","90","","90","","9034","1","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C92 H134 Cl Li2 N2 O11 Y -","- C92 H134 Cl Li2 N2 O11 Y -","- C368 H536 Cl4 Li8 N8 O44 Y4 -","4","1","","Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming","Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.","Organic letters","2014","16","17","4516","","10.1021/ol5020398","","","0.71075","MoKα","","0.1091","0.0844","","","0.1658","0.1789","","","","","","1.114","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517430","17.6443","0.001","17.7644","0.0011","28.917","0.0017","90","","90","","90","","9063.8","0.9","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C92 H134 Cl Li2 N2 O11 Sm -","- C92 H134 Cl Li2 N2 O11 Sm -","- C368 H536 Cl4 Li8 N8 O44 Sm4 -","4","1","","Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming","Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.","Organic letters","2014","16","17","4516","","10.1021/ol5020398","","","0.71075","MoKα","","0.0796","0.0692","","","0.1372","0.1457","","","","","","1.125","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517431","17.7338","0.0013","17.7079","0.0014","28.905","0.002","90","","90","","90","","9077","1.2","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C92 H134 Cl Li2 N2 Nd O11 -","- C92 H134 Cl Li2 N2 Nd O11 -","- C368 H536 Cl4 Li8 N8 Nd4 O44 -","4","1","","Qian, Qinqin; Tan, Yufang; Zhao, Bei; Feng, Tao; Shen, Qi; Yao, Yingming","Asymmetric Epoxidation of Unsaturated Ketones Catalyzed by Heterobimetallic Rare Earth-Lithium Complexes Bearing Phenoxy-Functionalized Chiral Diphenylprolinolate Ligand.","Organic letters","2014","16","17","4516","","10.1021/ol5020398","","","0.71075","MoKα","","0.0697","0.0626","","","0.1325","0.1393","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517458","8.9943","0.0002","12.2511","0.0002","22.3616","0.0016","90","","90","","90","","2464.03","0.19","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O -","- C32 H32 N2 O -","- C128 H128 N8 O4 -","4","1","","Hopkins, B. A.; Wolfe, J. P.","Enantioselective Synthesis of Tetrahydroquinolines, Tetrahydroquinoxalines, and Tetrahydroisoquinolines via Pd-Catalyzed Alkene Carboamination Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2014","5","12","4840","4844","10.1039/C4SC01327A","","","1.54178","CuKα","","0.025","0.0248","","","0.0653","0.0654","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517461","7.0361","0.0007","14.3568","0.0014","15.7212","0.0016","90","","90","","90","","1588.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G","Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.","Organic letters","2014","16","17","4543","","10.1021/ol502305j","","","0.71073","MoKα","","0.0315","0.0293","","","0.0779","0.0801","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517462","9.1869","0.0003","9.663","0.0003","30.231","0.0008","90","","90","","90","","2683.7","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O12 -","- C30 H32 O12 -","- C120 H128 O48 -","4","1","","Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G","Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.","Organic letters","2014","16","17","4543","","10.1021/ol502305j","","","1.54178","CuKα","","0.0251","0.0249","","","0.0647","0.0648","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517463","7.5952","0.0008","13.8502","0.0015","19.741","0.002","90","","90","","90","","2076.7","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O9 -","- C21 H24 O9 -","- C84 H96 O36 -","4","1","","Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G","Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.","Organic letters","2014","16","17","4543","","10.1021/ol502305j","","","0.71073","MoKα","","0.0411","0.0359","","","0.0894","0.0932","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517464","8.3895","0.0002","14.3785","0.0003","19.2943","0.0004","90","","90","","90","","2327.44","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O9 -","- C24 H26 O9 -","- C96 H104 O36 -","4","1","","Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G","Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.","Organic letters","2014","16","17","4543","","10.1021/ol502305j","","","1.54178","CuKα","","0.0242","0.0235","","","0.0588","0.0594","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517497","6.5912","0.0007","8.2254","0.0009","16.8717","0.0015","90","","90","","90","","914.7","0.16","260","","260","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Br -","- C10 H15 Br -","- C40 H60 Br4 -","4","1","","Negrier, Philippe; Barrio, María; Tamarit, Josep Ll; Mondieig, Denise","Polymorphism in 2-x-adamantane derivatives (x = cl, br).","The journal of physical chemistry. B","2014","118","32","9595","9603","10.1021/jp505280d","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517499","8.637","0.0003","9.6961","0.0004","18.1885","0.0008","90","","90","","90","","1523.2","0.11","143","0.1","143","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O3 -","- C17 H14 Br N O3 -","- C68 H56 Br4 N4 O12 -","4","1","","Kuang, Yulong; Lu, Yan; Tang, Yu; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric Synthesis of Spiro-epoxyoxindoles by the Catalytic Darzens Reaction of Isatins with Phenacyl Bromides.","Organic letters","2014","16","16","4244","4247","10.1021/ol501941n","","","0.71073","MoKα","","0.0675","0.0543","","","0.1177","0.1247","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517504","7.359","0.003","12.959","0.003","19.109","0.005","90","","90","","90","","1822.3","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Li, Yong; Liu, Yun-Bao; Liu, Yang-Lan; Wang, Chen; Wu, Lian-Qiu; Li, Li; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan","Mollanol A, a Diterpenoid with a New C-Nor-D-homograyanane Skeleton from the Fruits of Rhododendron molle.","Organic letters","2014","16","16","4320","4323","10.1021/ol5020653","","","1.54178","CuKα","","0.1277","0.065","","","0.1366","0.195","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517505","6.8656","0.0002","15.7655","0.0005","20.081","0.002","90","","90","","90","","2173.6","0.2","99.8","0.2","99.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H38 O9 -","- C20 H38 O9 -","- C80 H152 O36 -","4","1","","Li, Yong; Liu, Yun-Bao; Liu, Yang-Lan; Wang, Chen; Wu, Lian-Qiu; Li, Li; Ma, Shuang-Gang; Qu, Jing; Yu, Shi-Shan","Mollanol A, a Diterpenoid with a New C-Nor-D-homograyanane Skeleton from the Fruits of Rhododendron molle.","Organic letters","2014","16","16","4320","4323","10.1021/ol5020653","","","1.5418","CuKα","","0.039","0.0382","","","0.1019","0.1028","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517511","10.3346","0.0001","10.9278","0.0002","18.3511","0.0004","90","","90","","90","","2072.47","0.06","200","","200","","","","","","","","from U of Wollongong","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C80 H96 N8 O16 S8 -","4","1","","Bailey, Stephen J.; Wales, Steven M.; Willis, Anthony C.; Keller, Paul A.","Ring-opening and -expansion of 2,2'-biaziridine: access to diverse enantiopure linear and bicyclic vicinal diamines.","Organic letters","2014","16","16","4344","4347","10.1021/ol502164b","","","0.71073","MoKα","","0.0389","0.0339","","0.0867","0.0837","0.0867","","","","","","0.9978","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517516","9.2697","0.0005","13.0695","0.0016","15.815","0.006","90","","90","","90","","1916","0.8","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Tc(mesitylene)2]PF6","","","- C18 H24 F6 P Tc -","- C18 H24 F6 P Tc -","- C72 H96 F24 P4 Tc4 -","4","1","","Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger","From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate","Chem. Sci.","2015","6","1","165","","10.1039/C4SC02461C","","","0.71073","MoKα","","0.0372","0.0336","","","0.0615","0.0642","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517593","9.7175","0.0004","18.0168","0.0008","26.7918","0.0011","90","","90","","90","","4690.7","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H48 Mn3 N4 O16 -","- C44 H48 Mn3 N4 O16 -","- C176 H192 Mn12 N16 O64 -","4","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0521","0.0487","","","0.1225","0.1247","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517659","5.6485","0.0002","11.8378","0.0003","21.6295","0.0006","90","","90","","90","","1446.27","0.07","100","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Iyer, Akila; Jockusch, Steffen; Sivaguru, J.","Dictating photoreactivity through restricted bond rotations: cross-photoaddition of atropisomeric acrylimide derivatives under UV/visible-light irradiation.","The journal of physical chemistry. A","2014","118","45","10596","10602","10.1021/jp505678b","","","1.54178","CuKα","","0.032","0.0307","","","0.0778","0.0786","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517681","10.57","0.002","21.277","0.004","23.103","0.005","90","","90","","90","","5195.8","1.8","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Ag5 F9 N12 O10 S4 -","- C40 H36 Ag5 F9 N12 O10 S4 -","- C160 H144 Ag20 F36 N48 O40 S16 -","4","1","","He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang","A macrocycle-assisted nanoparticlization process for bulk Ag2S","Chem. Sci.","2015","6","1","654","","10.1039/C4SC01884B","","","0.71073","MoKα","","0.1517","0.1363","","","0.3604","0.3768","","","","","","1.127","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517716","8.6454","0.0005","14.3954","0.0008","14.9911","0.0008","90","","90","","90","","1865.7","0.18","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 Cl2 Cu N4 O9 -","- C8 H24 Cl2 Cu N4 O9 -","- C32 H96 Cl8 Cu4 N16 O36 -","4","1","","Pankaj Kumar; Apurba Kalita; Biplab Mondal","Nitric oxide sensors based on copper(II) complexes of N-donor ligands","Inorganica Chimica Acta","2013","404","","88","96","","","","0.71073","MoKα","","0.0951","0.0735","","","0.1982","0.2114","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517758","7.7185","0.0004","8.1845","0.0004","43.553","0.003","90","","90","","90","","2751.3","0.3","295","0.2","295","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl2 N2 O2 P Re -","- C28 H26 Cl2 N2 O2 P Re -","- C112 H104 Cl8 N8 O8 P4 Re4 -","4","1","","B. Machura; M. Wolff; J. Palion; E. Benoist","Synthesis, spectroscopic characterization and X-ray crystal structures of mononuclear and binuclear oxidorhenium(V) complexes containing indazolyl moieties","Inorganica Chimica Acta","2013","404","","144","154","","","","0.71073","MoKα","","0.0752","0.0584","","","0.0951","0.0997","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517761","5.853","0.0003","12.4563","0.0006","15.4425","0.0008","90","","90","","90","","1125.86","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 Se2 -","- C9 H14 N2 Se2 -","- C36 H56 N8 Se8 -","4","1","","Jaspreet S. Dhau; Rupy Dhir; Amritpal Singh; Paula Brandao; Vitor Felix","Synthesis and characterization of 4-(dimethylaminopyridyl)chalcogenides (Se, Te): X-ray structure of bis(4-dimethylamino-2-pyridyl) diselenide, bis(4-dimethylamino-2-pyridylselenenyl)methane and 4-dimethylamino-2,6-bis(methylselenenyl)pyridine","Inorganica Chimica Acta","2013","404","","160","166","","","","0.71073","MoKα","","0.0272","0.0211","","","0.0486","0.05","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517763","9.0915","0.0003","14.2722","0.0004","18.4424","0.0006","90","","90","","90","","2393.01","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H19 N O5 P Re -","- C28 H19 N O5 P Re -","- C112 H76 N4 O20 P4 Re4 -","4","1","","Diana V. Aleksanyan; Valentina Yu. Aleksenko; Yulia V. Nelyubina; Andrei A. Vasil-ev; Rinat R. Aysin; Zinaida S. Klemenkova; Vladimir A. Kozlov; Pavel V. Petrovskii; Irina L. Odinets","Monoanionic salicylaldimine ligands with (thio)phosphoryl pendant arms: Synthesis and complexing features","Inorganica Chimica Acta","2013","404","","167","174","","","","0.71073","MoKα","","0.0188","0.0175","","","0.0364","0.0367","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517783","14.532","0.003","5.026","0.001","19.667","0.004","90","","90","","90","","1436.4","0.5","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H6 B Br2 F4 N2 Na -","- C12 H6 B Br2 F4 N2 Na -","- C48 H24 B4 Br8 F16 N8 Na4 -","4","1","","Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang","Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands","Inorganica Chimica Acta","2013","405","","1","8","","","","0.71073","MoKα","","0.055","0.0507","","","0.0993","0.1009","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517805","12.3961","0.0001","12.9688","0.0001","13.7957","0.0001","90","","90","","90","","2217.83","0.03","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","","Peng, Jixing; Gao, Huquan; Zhang, Xiaomin; Wang, Shuai; Wu, Chongming; Gu, Qianqun; Guo, Peng; Zhu, Tianjiao; Li, Dehai","Psychrophilins E-H and Versicotide C, Cyclic Peptides from the Marine-Derived Fungus Aspergillus versicolor ZLN-60.","Journal of natural products","2014","77","10","2218","2223","10.1021/np500469b","","","1.54184","CuKα","","0.0278","0.0272","","","0.0768","0.0774","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517818","9.05087","0.00007","13.52501","0.00011","18.54998","0.00014","90","","90","","90","","2270.76","0.03","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O6 -","- C22 H30 N2 O6 -","- C88 H120 N8 O24 -","4","1","","Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.","Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.","Organic letters","2014","16","19","5204","5207","10.1021/ol502586n","","","1.54184","CuKα","","0.0303","0.0295","","","0.0755","0.0763","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517819","11.7191","0.0002","14.4137","0.0003","22.2809","0.0004","90","","90","","90","","3763.59","0.12","99.9","0.14","99.9","0.14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C152 H208 N16 O32 -","8","2","","Antolak, Stephanie A.; Yao, Zhong-Ke; Richoux, Gary M.; Slebodnick, Carla; Carlier, Paul R.","Enantioselective Deprotonative Ring Contraction of N1-Methyl-N4-Boc-benzo[e][1,4]diazepine-2,5-diones.","Organic letters","2014","16","19","5204","5207","10.1021/ol502586n","","","1.54184","CuKα","","0.0402","0.0382","","","0.0922","0.094","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517829","7.9901","0.0002","12.9361","0.0003","15.1823","0.0004","90","","90","","90","","1569.25","0.07","296.7","0.9","296.7","0.9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N3 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","","Cai, Zhong-Jian; Lu, Xin-Mou; Zi, You; Yang, Chao; Shen, Ling-Jie; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBPB Mediated Oxidative Reaction of N-Tosylhydrazones with Anilines: Practical Construction of 1,4-Disubstituted 1,2,3-Triazoles under Metal-Free and Azide-Free Conditions.","Organic letters","2014","16","19","5108","5111","10.1021/ol502431b","","","0.71073","MoKα","","0.0725","0.0692","","","0.1871","0.1905","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517839","11.559","0.002","15.64","0.003","21.53","0.004","90","","90","","90","","3892.3","1.2","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H52 N6 O10 -","- C39 H52 N6 O10 -","- C156 H208 N24 O40 -","4","1","","Goodreid, Jordan D.; Wong, Keith; Leung, Elisa; McCaw, Shannon E.; Gray-Owen, Scott D; Lough, Alan; Houry, Walid A.; Batey, Robert A.","Total Synthesis and Antibacterial Testing of the A54556 Cyclic Acyldepsipeptides Isolated from Streptomyces hawaiiensis.","Journal of natural products","2014","77","10","2170","2181","10.1021/np500158q","","","1.54178","CuKα","","0.0336","0.033","","","0.089","0.0896","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517843","14.7651","0.0004","17.3362","0.0004","23.4491","0.0003","90","","90","","90","","6002.3","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H58 B2 F20 P2 -","- C63 H58 B2 F20 P2 -","- C252 H232 B8 F80 P8 -","4","1","","Erker, G.; Kehr, Gerald; Daniliuc, Constantin Gabriel; Mück-Lichtenfeld, Christian; Chen, Guo-Qiang; Moquist, Philip; Bussmann, Kathrin","α-CH Acidity of Alkyl-B(C6F5)2 Compounds ‒ the Role of Stabilized Borataalkene Formation in Frustrated Lewis Pair Chemistry","Chem. Sci.","2014","","","","","10.1039/C4SC01711K","","","1.54178","CuKα","","0.0352","0.0337","","","0.08","0.0812","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517860","7.366","0.004","8.121","0.004","36.109","0.017","90","","90","","90","","2160","1.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl2 N2 O S2 -","- C23 H16 Cl2 N2 O S2 -","- C92 H64 Cl8 N8 O4 S8 -","4","1","","Liu, Wenju; Li, Ziyong; Hu, Fang; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua","Chemical control of photochromism and a multiresponsive molecular switch based on a diarylethene derivative containing naphthol.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2014","13","12","1773","1780","10.1039/c4pp00093e","","","0.71073","MoKα","","0.0999","0.0721","","","0.1689","0.1774","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517897","9.7811","0.0007","12.2584","0.0008","17.0772","0.0013","90","","90","","90","","2047.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Alstonoxine E","","","- C19 H25 Cl3 N2 O3 -","- C19 H25 Cl3 N2 O3 -","- C76 H100 Cl12 N8 O12 -","4","1","","Tan, Shin-Jowl; Lim, Jun-Lee; Low, Yun-Yee; Sim, Kae-Shin; Lim, Siew-Huah; Kam, Toh-Seok","Oxidized Derivatives of Macroline, Sarpagine, and Pleiocarpamine Alkaloids from Alstonia angustifolia.","Journal of natural products","2014","77","9","2068","2080","10.1021/np500439u","","","0.71073","MoKα","","0.0672","0.0487","","","0.1142","0.1253","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517898","6.2545","0.0004","8.1557","0.0006","34.847","0.002","90","","90","","90","","1777.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Wang, Song; Li, Rui-Juan; Zhu, Rong-Xiu; Hu, Xiao-Yan; Guo, Yan-Xia; Zhou, Jin-Chuan; Lin, Zhao-Min; Zhang, Jiao-Zhen; Wu, Jing-Yi; Kang, Ya-Qi; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Yuan, Hui-Qing; Lou, Hong-Xiang","Notolutesins A-J, Dolabrane-Type Diterpenoids from the Chinese Liverwort Notoscyphus lutescens.","Journal of natural products","2014","77","9","2081","2087","10.1021/np5004559","","","0.71069","MoKα","","0.0553","0.0472","","","0.1409","0.1496","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517904","6.4278","0.0008","20.659","0.003","26.404","0.003","90","","90","","90","","3506.2","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H42 O5 -","- C46 H42 O5 -","- C184 H168 O20 -","4","1","","Spangler, Jillian E.; Lian, Yajing; Raikar, Sandeep N.; Davies, Huw M. L.","Synthesis of Complex Hexacyclic Compounds via a Tandem Rh(II)-Catalyzed Double-Cyclopropanation/Cope Rearrangement/Diels-Alder Reaction.","Organic letters","2014","16","18","4794","4797","10.1021/ol502257d","","","1.5418","CuKα","","0.03","0.0277","","","0.066","0.0679","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517905","6.0234","0.0001","10.8338","0.0003","37.8963","0.0008","90","","90","","90","","2472.97","0.1","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 Si -","- C27 H34 O3 Si -","- C108 H136 O12 Si4 -","4","1","","Spangler, Jillian E.; Lian, Yajing; Raikar, Sandeep N.; Davies, Huw M. L.","Synthesis of Complex Hexacyclic Compounds via a Tandem Rh(II)-Catalyzed Double-Cyclopropanation/Cope Rearrangement/Diels-Alder Reaction.","Organic letters","2014","16","18","4794","4797","10.1021/ol502257d","","","0.71073","MoKα","","0.0562","0.0432","","","0.0929","0.0985","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517906","8.049","0.002","14.884","0.005","16.221","0.007","90","","90","","90","","1943.3","1.2","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N2 O Se -","- C23 H18 N2 O Se -","- C92 H72 N8 O4 Se4 -","4","1","","Iwasaki, Masayuki; Tsuchiya, Yuta; Nakajima, Kiyohiko; Nishihara, Yasushi","Chelate-assisted direct selenation of aryl C-h bonds with diselenides catalyzed by palladium.","Organic letters","2014","16","18","4920","4923","10.1021/ol502439m","","","0.71075","MoKα","","0.0776","0.0559","","","0.1279","0.1402","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517936","9.3223","0.0002","15.4012","0.0003","19.5439","0.0003","90","","90","","90","","2806.01","0.09","120","2","120","2","","","","","","","Ali Al Hazmi","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 F3 O3 -","- C35 H33 F3 O3 -","- C140 H132 F12 O12 -","4","1","","Al Hazmi, Ali M.; Sheikh, Nadeem S.; Bataille, Carole J. R.; Al-Hadedi, Azzam A M; Watkin, Sam V.; Luker, Tim J.; Camp, Nicholas P.; Brown, Richard C. D.","trans-2-Tritylcyclohexanol as a Chiral Auxiliary in Permanganate-Mediated Oxidative Cyclization of 2-Methylenehept-5-enoates: Application to the Synthesis of trans-(+)-Linalool Oxide.","Organic letters","2014","16","19","5104","5107","10.1021/ol502454r","","","0.71073","MoKα","","0.0735","0.0581","","","0.1102","0.119","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517946","6.8338","0.0003","7.2865","0.0003","28.1501","0.0016","90","","90","","90","","1401.72","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","1","","Matviitsuk, Anastassia; Berndt, Falko; Mahrwald, Rainer","Four into one: organocatalyzed stereoselective conjugate addition of unprotected and unactivated carbohydrates.","Organic letters","2014","16","20","5474","5477","10.1021/ol5027443","","","0.71073","MoKα","","0.0548","0.0353","","","0.0506","0.0545","","","","","","0.893","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517950","7.2482","0.0001","13.3145","0.0001","20.2206","0.0002","90","","90","","90","","1951.41","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C84 H112 N8 O12 -","4","1","","Han, Wen Bo; Lu, Yan Hua; Zhang, Ai Hua; Zhang, Gao Fei; Mei, Ya Ning; Jiang, Nan; Lei, Xinxiang; Song, Yong Chun; Ng, Seik Weng; Tan, Ren Xiang","Curvulamine, a new antibacterial alkaloid incorporating two undescribed units from a curvularia species.","Organic letters","2014","16","20","5366","5369","10.1021/ol502572g","","","1.54184","CuKα","","0.039","0.037","","","0.1058","0.1086","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517960","6.28391","0.00008","7.30361","0.00008","24.7078","0.0003","90","","90","","90","","1133.97","0.02","294.2","0.2","294.2","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 F N4 O2 -","- C11 H9 F N4 O2 -","- C44 H36 F4 N16 O8 -","4","1","","Wu, Xiu-Ping; Su, Yan; Gu, Peiming","Catalytic Enantioselective Desymmetrization of 1,3-Diazido-2-propanol via Intramolecular Interception of Alkyl Azides with Diazo(aryl)acetates.","Organic letters","2014","16","20","5339","5341","10.1021/ol502608d","","","1.5418","CuKα","","0.0343","0.0341","","","0.093","0.0933","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517973","10.7291","0.0002","14.4847","0.0003","26.2864","0.0005","90","","90","","90","","4085.11","0.14","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Cl2 O4 P2 Rh2 -","- C41 H48 Cl2 O4 P2 Rh2 -","- C164 H192 Cl8 O16 P8 Rh8 -","4","1","","Sieber, Joshua D.; Chennamadhavuni, Divya; Fandrick, Keith R.; Qu, Bo; Han, Zhengxu S.; Savoie, Jolaine; Ma, Shengli; Samankumara, Lalith P.; Grinberg, Nelu; Lee, Heewon; Song, Jinhua J.; Senanayake, Chris H.","Development of New P-Chiral P,π-Dihydrobenzooxaphosphole Hybrid Ligands for Asymmetric Catalysis.","Organic letters","2014","16","20","5494","5497","10.1021/ol5027798","","","1.54178","CuKα","","0.0249","0.0227","","","0.0622","0.0729","","","","","","0.9677","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517977","7.3932","0.0007","10.0902","0.0009","28.435","0.003","90","","90","","90","","2121.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O5 S -","- C23 H31 N O5 S -","- C92 H124 N4 O20 S4 -","4","1","","Jiang, Shi-Zhi; Lei, Ting; Wei, Kun; Yang, Yu-Rong","Collective total synthesis of tetracyclic diquinane lycopodium alkaloids (+)-paniculatine, (-)-magellanine, (+)-magellaninone and analogues thereof.","Organic letters","2014","16","21","5612","5615","10.1021/ol502679v","","","0.71073","MoKα","","0.0383","0.0347","","","0.086","0.088","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517978","6.6647","0.0007","8.0882","0.0008","40.025","0.004","90","","90","","90","","2157.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O4 S -","- C23 H31 N O4 S -","- C92 H124 N4 O16 S4 -","4","1","","Jiang, Shi-Zhi; Lei, Ting; Wei, Kun; Yang, Yu-Rong","Collective total synthesis of tetracyclic diquinane lycopodium alkaloids (+)-paniculatine, (-)-magellanine, (+)-magellaninone and analogues thereof.","Organic letters","2014","16","21","5612","5615","10.1021/ol502679v","","","0.71073","MoKα","","0.0403","0.037","","","0.0861","0.0891","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518012","9.135","0.005","11.634","0.005","20.55","0.005","90","0.005","90","0.005","90","0.005","2184","1.6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 -","- C26 H21 N3 O2 -","- C104 H84 N12 O8 -","4","1","","Rout, Subhrajit; Ray, Sumit K.; Unhale, Rajshekhar A.; Singh, Vinod K.","Asymmetric direct vinylogous Michael addition to 2-enoylpyridine N-oxides catalyzed by bifunctional thio-urea.","Organic letters","2014","16","21","5568","5571","10.1021/ol5025794","","","0.71069","MoKα","","0.0656","0.047","","","0.0999","0.1097","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518064","5.9098","0.0001","14.8542","0.0002","15.2437","0.0002","90","","90","","90","","1338.17","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Huang, An-Cheng; Sumby, Christopher J.; Tiekink, Edward R. T.; Taylor, Dennis K.","Synthesis of guaia-4(5)-en-11-ol, guaia-5(6)-en-11-ol, aciphyllene, 1-epi-melicodenones C and E, and other guaiane-type sesquiterpenoids via the diastereoselective epoxidation of guaiol.","Journal of natural products","2014","77","11","2522","2536","10.1021/np500611z","","","1.54184","CuKα","","0.0297","0.029","","","0.0752","0.076","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518087","9.1808","0.0003","11.2481","0.0003","16.7513","0.0005","90","","90","","90","","1729.85","0.09","100.1","0.6","100.1","0.6","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tronoharine","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","","Sim, Dawn Su-Yin; Chong, Kam-Weng; Nge, Choy-Eng; Low, Yun-Yee; Sim, Kae-Shin; Kam, Toh-Seok","Cytotoxic vobasine, tacaman, and corynanthe-tryptamine bisindole alkaloids from Tabernaemontana and structure revision of tronoharine.","Journal of natural products","2014","77","11","2504","2512","10.1021/np500589u","","","0.71073","MoKα","","0.035","0.0327","","","0.0849","0.0868","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518109","9.1287","0.0002","14.7136","0.0003","22.5741","0.0004","90","","90","","90","","3032.06","0.11","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 Cl2 N3 O8 -","- C34 H25 Cl2 N3 O8 -","- C136 H100 Cl8 N12 O32 -","4","1","","Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic enantioselective Michael-Michael-Michael-aldol condensation reactions: control of five stereocenters in a quadruple-cascade asymmetric synthesis of highly functionalized hexahydrophenanthrenes.","Organic letters","2014","16","21","5756","5759","10.1021/ol502821e","","","0.71073","MoKα","","0.0639","0.0374","","","0.0782","0.0853","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518147","6.56098","0.00012","13.5445","0.0003","13.6122","0.0003","90","","90","","90","","1209.65","0.04","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F N2 O4 -","- C13 H9 F N2 O4 -","- C52 H36 F4 N8 O16 -","4","1","","Maeno, Mayaka; Tokunaga, Etsuko; Yamamoto, Takeshi; Suzuki, Toshiya; Ogino, Yoshiyuki; Ito, Emi; Shiro, Motoo; Asahi, Toru; Shibata, Norio","Self-disproportionation of enantiomers of thalidomide and its fluorinated analogue via gravity-driven achiral chromatography: mechanistic rationale and implications","Chem. Sci.","2015","6","2","1043","","10.1039/C4SC03047H","","","1.54187","CuKα","","","0.0271","","","","0.0692","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518151","5.9343","0.0012","11.372","0.002","23.049","0.005","90","","90","","90","","1555.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br N O3 -","- C18 H16 Br N O3 -","- C72 H64 Br4 N4 O12 -","4","1","","He, Ling; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang","Catalytic asymmetric difunctionalization of stable tertiary enamides with salicylaldehydes: highly efficient, enantioselective, and diastereoselective synthesis of diverse 4-chromanol derivatives.","Organic letters","2014","16","22","5972","5975","10.1021/ol5029964","","","0.71073","MoKα","","0.0379","0.0347","","","0.0776","0.0802","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518226","10.74","0.003","11.985","0.004","16.694","0.005","90","","90","","90","","2148.8","1.1","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(GBL)4:LiPF6","","","- C16 H24 F6 Li O8 P -","- C16 H24 F6 Li O8 P -","- C64 H96 F24 Li4 O32 P4 -","4","1","","Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.","Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters","The Journal of Physical Chemistry C","2014","118","45","25884","","10.1021/jp5079168","","","0.71073","MoKα","","0.146","0.066","","","0.1679","0.2056","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518229","5.0642","0.0002","9.9457","0.0003","14.6921","0.0005","90","","90","","90","","740","0.04","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(GBL)1:LiBF4","","","- C4 H6 B F4 Li O2 -","- C4 H6 B F4 Li O2 -","- C16 H24 B4 F16 Li4 O8 -","4","1","","Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.","Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters","The Journal of Physical Chemistry C","2014","118","45","25884","","10.1021/jp5079168","","","0.71073","MoKα","","0.058","0.0388","","","0.0937","0.1034","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518242","13.919","0.006","19.144","0.009","28.616","0.011","90","","90","","90","","7625","6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C81 H86 Cl6 N6 O8 Rh2 -","- C81 H86 Cl6 N6 O8 Rh2 -","- C324 H344 Cl24 N24 O32 Rh8 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0514","0.0358","","","0.0643","0.0682","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518243","13.1445","0.0005","13.6427","0.0006","22.5166","0.0008","90","","90","","90","","4037.8","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C39 H40 Cl2 F6 N4 O2 P Rh -","- C39 H40 Cl2 F6 N4 O2 P Rh -","- C156 H160 Cl8 F24 N16 O8 P4 Rh4 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0349","0.0287","","","0.056","0.0579","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518244","5.4571","0.0002","15.3289","0.0006","17.4084","0.0009","90","","90","","90","","1456.24","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C56 H72 N8 O20 -","4","1","","Wang, Chuanyong; Chen, Liang-An; Huo, Haohua; Shen, Xiaodong; Harms, Klaus; Gong, Lei; Meggers, Eric","Asymmetric Lewis acid catalysis directed by octahedral rhodium centrochirality","Chem. Sci.","2015","6","2","1094","","10.1039/C4SC03101F","","","0.71073","MoKα","","0.0343","0.0291","","","0.0646","0.0666","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518264","9.6417","0.0002","10.208","0.0002","14.8652","0.0003","90","","90","","90","","1463.07","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 F3 N O3 S -","- C15 H12 F3 N O3 S -","- C60 H48 F12 N4 O12 S4 -","4","1","","Kwiatkowski, Piotr; Cholewiak, Agnieszka; Kasztelan, Adrian","Efficient and highly enantioselective construction of trifluoromethylated quaternary stereogenic centers via high-pressure mediated organocatalytic conjugate addition of nitromethane to β,β-disubstituted enones.","Organic letters","2014","16","22","5930","5933","10.1021/ol502941d","","","0.71073","MoKα","","0.04","0.0323","","","0.0706","0.0746","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518265","9.1017","0.0004","10.9849","0.0005","14.3201","0.0007","90","","90","","90","","1431.74","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 F3 N2 O3 S -","- C14 H11 F3 N2 O3 S -","- C56 H44 F12 N8 O12 S4 -","4","1","","Kwiatkowski, Piotr; Cholewiak, Agnieszka; Kasztelan, Adrian","Efficient and highly enantioselective construction of trifluoromethylated quaternary stereogenic centers via high-pressure mediated organocatalytic conjugate addition of nitromethane to β,β-disubstituted enones.","Organic letters","2014","16","22","5930","5933","10.1021/ol502941d","","","0.71073","MoKα","","0.0505","0.0358","","","0.0647","0.0695","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518277","7.7539","0.0003","8.4364","0.0003","22.2865","0.0006","90","","90","","90","","1457.87","0.09","228","2","228","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl2 F O4 S -","- C12 H11 Cl2 F O4 S -","- C48 H44 Cl8 F4 O16 S4 -","4","1","","Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter","Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","2","1219","1224","10.1039/C4SC02610A","","","1.54178","CuKα","","0.0507","0.0417","","","0.0979","0.1036","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518279","7.58","0.0001","13.2149","0.0001","18.5282","0.0001","90","","90","","90","","1855.95","0.03","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Hesping, Lena; Biswas, Anup; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Studer, Armido","Stereoselective Lewis base catalyzed formal 1,3-dipolar cycloaddition of azomethine imines with mixed anhydrides","Chem. Sci.","2015","6","2","1252","","10.1039/C4SC02612H","","","1.54178","CuKα","","0.0402","0.0354","","","0.0789","0.0822","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518296","9.2055","0.0004","13.5568","0.0005","23.141","0.0008","90","","90","","90","","2887.93","0.19","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 Cl N3 O4 Si -","- C24 H38 Cl N3 O4 Si -","- C96 H152 Cl4 N12 O16 Si4 -","4","1","","Liu, Bin; Liu, Tong-Yu; Luo, Shi-Wei; Gong, Liu-Zhu","Asymmetric Hetero-Diels-Alder Reaction of Diazenes Catalyzed by Chiral Silver Phosphate: Water Participates in the Catalysis and Stereocontrol.","Organic letters","2014","16","23","6164","","10.1021/ol503047s","","","1.54184","CuKα","","0.134","0.1116","","","0.232","0.2464","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518303","5.3773","0.0013","25.658","0.007","14.111","0.004","90","","90","","90","","1946.9","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br N2 O2 -","- C23 H17 Br N2 O2 -","- C92 H68 Br4 N8 O8 -","4","1","","Fan, Yan-Sen; Jiang, Yi-Jun; An, Dong; Sha, Di; Antilla, Jon C.; Zhang, Suoqin","H8-BINOL Chiral Imidodiphosphoric Acids Catalyzed Enantioselective Synthesis of Dihydroindolo-/-pyrrolo[1,2-a]quinoxalines.","Organic letters","2014","16","23","6112","","10.1021/ol502965p","","","0.71073","MoKα","","0.0948","0.0616","","","0.1424","0.161","","","","","","0.974","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518306","7.86783","0.00013","16.1933","0.0003","18.4016","0.0003","90","","90","","90","","2344.48","0.07","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl2 N2 O7 S -","- C20 H22 Cl2 N2 O7 S -","- C80 H88 Cl8 N8 O28 S4 -","4","1","","Baumann, Marcus; Baxendale, Ian R.","Sustainable Synthesis of Thioimidazoles via Carbohydrate-Based Multicomponent Reactions.","Organic letters","2014","16","23","6076","","10.1021/ol502845h","","","0.71073","MoKα","","0.0361","0.0332","","","0.0791","0.0809","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518343","12.1648","0.0001","12.4912","0.0001","17.107","0.0002","90","","90","","90","","2599.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dibenzyl-6-(3-oxo-1,3-diphenylpropyl)piperazine-2,3,5-trione","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C132 H112 N8 O16 -","4","1","","Cabanillas, Alejandro; Davies, Christopher D.; Male, Louise; Simpkins, Nigel S.","Highly enantioselective access to diketopiperazines via cinchona alkaloid catalyzed Michael additions","Chem. Sci.","2015","6","2","1350","","10.1039/C4SC03218G","","","1.5418","CuKα","","0.0249","0.0243","","","0.0623","0.0629","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518375","7.4066","0.0002","9.4215","0.0003","17.4684","0.0005","90","","90","","90","","1218.97","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl O3 -","- C13 H13 Cl O3 -","- C52 H52 Cl4 O12 -","4","1","","Liou, Jing-Ru; Wu, Tung-Ying; Thang, Tran Dinh; Hwang, Tsong-Long; Wu, Chin-Chun; Cheng, Yuan-Bin; Chiang, Michael Y.; Lan, Yu-Hsuan; El-Shazly, Mohamed; Wu, Shwu-Li; Beerhues, Ludger; Yuan, Shyng-Shiou; Hou, Ming-Feng; Chen, Shu-Li; Chang, Fang-Rong; Wu, Yang-Chang","Bioactive 6S-Styryllactone Constituents of Polyalthia parviflora.","Journal of natural products","2014","77","12","2626","2632","10.1021/np5004577","","","1.54178","CuKα","","0.0222","0.0216","","","0.0568","0.057","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518376","8.3051","0.0002","9.8097","0.0002","15.5103","0.0003","90","","90","","90","","1263.63","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Liou, Jing-Ru; Wu, Tung-Ying; Thang, Tran Dinh; Hwang, Tsong-Long; Wu, Chin-Chun; Cheng, Yuan-Bin; Chiang, Michael Y.; Lan, Yu-Hsuan; El-Shazly, Mohamed; Wu, Shwu-Li; Beerhues, Ludger; Yuan, Shyng-Shiou; Hou, Ming-Feng; Chen, Shu-Li; Chang, Fang-Rong; Wu, Yang-Chang","Bioactive 6S-Styryllactone Constituents of Polyalthia parviflora.","Journal of natural products","2014","77","12","2626","2632","10.1021/np5004577","","","1.54178","CuKα","","0.0288","0.027","","","0.0661","0.0718","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518387","10.7249","0.0005","12.1181","0.0006","29.204","0.0013","90","","90","","90","","3795.5","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","criofolinine","","","- C21 H22 N2 O6 -","- C21 H22 N2 O6 -","- C168 H176 N16 O48 -","8","2","","Nge, Choy-Eng; Gan, Chew-Yan; Lim, Kuan-Hon; Ting, Kang-Nee; Low, Yun-Yee; Kam, Toh-Seok","Criofolinine and vernavosine, new pentacyclic indole alkaloids incorporating pyrroloazepine and pyridopyrimidine moieties derived from a common yohimbine precursor.","Organic letters","2014","16","24","6330","6333","10.1021/ol503072g","","","0.71073","MoKα","","0.0775","0.0492","","","0.1225","0.144","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518388","10.142","0.002","10.495","0.002","36.579","0.008","90","","90","","90","","3893.5","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C168 H240 O32 -","8","2","","Luo, Shi-Hong; Hugelshofer, Cedric L.; Hua, Juan; Jing, Shu-Xi; Li, Chun-Huan; Liu, Yan; Li, Xiao-Nian; Zhao, Xu; Magauer, Thomas; Li, Sheng-Hong","Unraveling the metabolic pathway in Leucosceptrum canum by isolation of new defensive leucosceptroid degradation products and biomimetic model synthesis.","Organic letters","2014","16","24","6416","6419","10.1021/ol503230s","","","0.71073","MoKα","","0.1577","0.0657","","","0.1122","0.1487","","","","","","0.981","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518394","11.7131","0.0004","13.2133","0.0004","38.0111","0.0012","90","","90","","90","","5882.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H43 O5.5 -","- C34.5 H43 O5.5 -","- C276 H344 O44 -","8","2","","Zhu, Hucheng; Chen, Chunmei; Yang, Jing; Li, Xiao-Nian; Liu, Junjun; Sun, Bin; Huang, Sheng-Xiong; Li, Dongyan; Yao, Guangmin; Luo, Zengwei; Li, Yan; Zhang, Jinwen; Xue, Yongbo; Zhang, Yonghui","Bioactive acylphloroglucinols with adamantyl skeleton from Hypericum sampsonii.","Organic letters","2014","16","24","6322","6325","10.1021/ol5030579","","","1.54178","CuKα","","0.0774","0.0587","","","0.1513","0.2009","","","","","","1.157","","","","has coordinates","182022","2020-10-21","18:00:00",""
"1518402","9.869","0.002","15.185","0.003","17.773","0.004","90","","90","","90","","2663.5","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O3 S -","- C31 H29 N O3 S -","- C124 H116 N4 O12 S4 -","4","1","","Yang, Qin; Xu, Tongyu; Yu, Zhengkun","Iron-mediated carboarylation/cyclization of propargylanilines with acetals: a concise route to indeno[2,1-c]quinolines.","Organic letters","2014","16","24","6310","6313","10.1021/ol503039j","","","0.71073","MoKα","","0.0957","0.054","","","0.1183","0.1384","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518409","5.9763","0.0005","11.5786","0.0008","29.273","0.003","90","","90","","90","","2025.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","TPP","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","1","","Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission","Chem. Sci.","2015","6","3","1932","","10.1039/C4SC03365E","","","0.71073","MoKα","","0.0528","0.0392","","","0.0894","0.0976","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518425","12.2942","0.0011","15.4624","0.0015","27.665","0.002","90","","90","","90","","5259.1","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H12 F25 Fe N6 O2 -","- C59 H12 F25 Fe N6 O2 -","- C236 H48 F100 Fe4 N24 O8 -","4","1","","Zhang, Kai; Wei, Pingchun; Li, Xin; Ågren, Hans; Xie, Yongshu","Oxidative ring closure and metal triggered ring opening: syntheses of macrocyclic and linear hexapyrroles.","Organic letters","2014","16","24","6354","6357","10.1021/ol503132r","","","0.71073","MoKα","","0.226","0.0873","","","0.1959","0.2841","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518432","10.336","0.002","14.852","0.003","4.924","0.001","90","","90","","90","","755.9","0.3","295","2","295","2","","","270000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0718","0.0642","","","0.1304","0.1331","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518433","10.26","0.002","14.837","0.003","4.8169","0.001","90","","90","","90","","733.3","0.3","295","2","295","2","","","880000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0571","0.0477","","","0.0928","0.0957","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518434","10.22","0.002","14.832","0.003","4.7689","0.001","90","","90","","90","","722.9","0.3","295","2","295","2","","","1120000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0728","0.0626","","","0.145","0.1538","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518435","10.218","0.002","14.823","0.003","4.7439","0.0009","90","","90","","90","","718.5","0.2","295","2","295","2","","","270000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0694","0.0616","","","0.1305","0.1346","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518436","10.181","0.002","14.808","0.003","4.693","0.0009","90","","90","","90","","707.5","0.2","295","2","295","2","","","1800000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0689","0.0612","","","0.1396","0.1428","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518437","10.11","0.002","14.808","0.003","4.5801","0.0009","90","","90","","90","","685.7","0.2","295","2","295","2","","","2600000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0595","0.0393","","","0.0688","0.072","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518438","10.06","0.002","14.798","0.003","4.537","0.0009","90","","90","","90","","675.4","0.2","295","2","295","2","","","3210000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0758","0.0541","","","0.099","0.1026","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518439","10.05","0.002","14.807","0.003","4.4206","0.0009","90","","90","","90","","657.8","0.2","295","2","295","2","","","4000000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0761","0.0543","","","0.1016","0.1075","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518440","10.04","0.002","14.796","0.003","4.3879","0.0009","90","","90","","90","","651.8","0.2","295","2","295","2","","","4200000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0548","0.0389","","","0.0656","0.0677","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518441","10.056","0.002","14.779","0.003","4.275","0.0009","90","","90","","90","","635.3","0.2","295","2","295","2","","","5150000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0843","0.0576","","","0.1034","0.1107","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518442","10.059","0.002","14.776","0.003","4.261","0.0009","90","","90","","90","","633.3","0.2","295","2","295","2","","","5230000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0826","0.0614","","","0.1223","0.1314","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518443","10.063","0.002","14.787","0.003","4.256","0.0009","90","","90","","90","","633.3","0.2","295","2","295","2","","","5330000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase I","α-D-glucopyranose, Phase I","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0866","0.0561","","","0.0949","0.104","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518444","9.714","0.011","14.99","0.02","4.262","0.019","90","","90","","90","","621","3","295","2","295","2","","","5540000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase II","α-D-glucopyranose, Phase II","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0887","0.0674","","","0.1408","0.1489","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518445","9.73","0.0019","14.987","0.003","4.234","0.0008","90","","90","","90","","617.4","0.2","295","2","295","2","","","5800000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase II","α-D-glucopyranose, Phase II","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0709","0.0538","","","0.0989","0.1032","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518446","9.694","0.0019","14.931","0.003","4.2234","0.0008","90","","90","","90","","611.3","0.2","295","2","295","2","","","6200000","","","","","3","P 21 21 21","P 2ac 2ab","19","α-D-glucose, Phase II","α-D-glucopyranose, Phase II","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Katrusiak, Andrzej","Transformable H-bonds and conformation in compressed glucose","Chem. Sci.","2015","6","3","1991","","10.1039/C4SC03588G","","","0.71073","MoKα","","0.0615","0.0523","","","0.1001","0.1023","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518455","7.788","0.0004","16.0615","0.001","20.7023","0.0012","90","","90","","90","","2589.6","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-butyl 3-((E)-(((S)-2-(methoxymethyl)pyrrolidin-1-yl)imino)methyl) -2-((R)-1-phenylethyl)-1H-indole-1-carboxylate","","- C29 H37 N3 O4 -","- C29 H37 N3 O4 -","- C116 H148 N12 O16 -","4","1","","Lee, Pin-Sheng; Yoshikai, Naohiko","Cobalt-catalyzed enantioselective directed C-h alkylation of indole with styrenes.","Organic letters","2015","17","1","22","25","10.1021/ol503119z","","","0.71073","MoKα","","0.0971","0.059","","","0.1014","0.1162","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518457","6.2688","0.0001","16.308","0.0001","18.2849","0.0002","90","","90","","90","","1869.29","0.04","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic Synthesis of the Enantiomer of 4,12-Dihydroxysterpurene, the Structure Assigned to a Metabolite Isolated from the Culture Broth of Stereum purpureum.","Organic letters","2015","17","1","166","169","10.1021/ol5034817","","","1.5418","CuKα","","0.0257","0.0252","","0.0656","0.0651","0.0656","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518458","9.0419","0.0001","12.2803","0.0002","19.0748","0.0002","90","","90","","90","","2118.01","0.05","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C96 H100 N4 O20 -","4","1","","Liu, Ze-Shui; Li, Wen-Ke; Kang, Tai-Ran; He, Long; Liu, Quan-Zhong","Palladium-catalyzed asymmetric cycloadditions of vinylcyclopropanes and in situ formed unsaturated imines: construction of structurally and optically enriched spiroindolenines.","Organic letters","2015","17","1","150","153","10.1021/ol503383x","","","1.54184","CuKα","","0.0303","0.0298","","","0.0823","0.0829","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518464","9.1452","0.0001","12.5627","0.0002","16.2841","0.0002","90","","90","","90","","1870.85","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O7 -","- C19 H26 O7 -","- C76 H104 O28 -","4","1","","Xu, Jin-Fang; Zhao, Hui-Jun; Wang, Xiao-Bing; Li, Zhong-Rui; Luo, Jun; Yang, Ming-Hua; Yang, Lei; Yu, Wen-Ying; Yao, He-Quan; Luo, Jian-Guang; Kong, Ling-Yi","(±)-Melicolones A and B, Rearranged Prenylated Acetophenone Stereoisomers with an Unusual 9-Oxatricyclo[3.2.1.1(3,8)]nonane Core from the Leaves of Melicope ptelefolia.","Organic letters","2015","17","1","146","149","10.1021/ol5033738","","","1.54184","CuKα","","0.0315","0.0304","","","0.0855","0.0868","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518518","11.167","0.001","13.257","0.001","14.878","0.001","90","","90","0.001","90","","2202.6","0.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Cl2 Fe N O Pt S -","- C21 H25 Cl2 Fe N O Pt S -","- C84 H100 Cl8 Fe4 N4 O4 Pt4 S4 -","4","1","","López, Concepción; Bosque, Ramón; Pujol, Marta; Simó, Jonathan; Sevilla, Eila; Font-Bardía, Mercè; Messeguer, Ramon; Calvis, Carme","Experimental and Theoretical Studies of the Factors Affecting the Cycloplatination of the Chiral Ferrocenylaldimine (SC)-[(η5-C5H5)Fe{(η5-C5H4)‒C(H)=N‒CH(Me)(C6H5)}]","Inorganics","2014","2","4","620","","10.3390/inorganics2040620","","","0.71069","MoKα","","0.0514","0.0418","","","0.1301","0.1414","","","","","","1.196","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518545","11.8282","0.0014","12.449","0.0015","13.6005","0.0016","90","","90","","90","","2002.7","0.4","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H34 Cl Mo P3 -","- C14 H34 Cl Mo P3 -","- C56 H136 Cl4 Mo4 P12 -","4","1","","Neary, Michelle C.; Parkin, Gerard","Dehydrogenation, disproportionation and transfer hydrogenation reactions of formic acid catalyzed by molybdenum hydride compounds","Chem. Sci.","2015","6","3","1859","","10.1039/C4SC03128H","","","0.71073","MoKα","","0.0926","0.055","","","0.0949","0.1069","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518567","8.9945","0.0002","12.4644","0.0002","17.7143","0.0003","90","","90","","90","","1985.97","0.06","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br N O3 -","- C24 H22 Br N O3 -","- C96 H88 Br4 N4 O12 -","4","1","","Oka, Junko; Okamoto, Ryuichi; Noguchi, Keiichi; Tanaka, Ken","Asymmetric dearomatization of 1-aminonaphthalene derivatives by gold-catalyzed intramolecular double C-C bond formation.","Organic letters","2015","17","3","676","679","10.1021/ol503698s","","","1.54187","CuKα","","0.027","0.0257","","","0.0686","0.0696","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518570","9.0807","0.0002","9.5935","0.0002","12.844","0.0002","90","","90","","90","","1118.91","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Scully, Stephen S.; Zheng, Shao-Liang; Wagner, Bridget K.; Schreiber, Stuart L.","Synthesis of Oxazocenones via Gold(I)-Catalyzed 8-Endo-Dig Hydroalkoxylation of Alkynamides.","Organic letters","2015","17","3","418","421","10.1021/ol503273v","","","1.54178","CuKα","","0.0242","0.0241","","","0.0629","0.063","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518583","8.0591","0.0004","9.6081","0.0005","15.5767","0.0008","90","","90","","90","","1206.14","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Homs, Anna; Muratore, Michael E.; Echavarren, Antonio M.","Enantioselective Total Synthesis of (-)-Nardoaristolone B via a Gold(I)-Catalyzed Oxidative Cyclization.","Organic letters","2015","17","3","461","463","10.1021/ol503531n","","","0.71073","MoKα","","0.0355","0.0331","","","0.0893","0.0915","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518604","11.9997","0.0004","12.0093","0.0004","16.8043","0.0005","90","","90","","90","","2421.63","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 N2 O2 Si -","- C23 H38 N2 O2 Si -","- C92 H152 N8 O8 Si4 -","4","1","","Xu, Xinfang; Deng, Yongming; Yim, David N.; Zavalij, Peter Y.; Doyle, Michael P.","Enantioselective cis-β-lactam synthesis by intramolecular C-H functionalization from enoldiazoacetamides and derivative donor-acceptor cyclopropenes.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","4","2196","2201","10.1039/C4SC03991B","","","0.71073","MoKα","","0.0358","0.0339","","","0.108","0.1087","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518617","12.9116","0.0006","15.1292","0.0007","18.7417","0.0009","90","","90","","90","","3661","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cl2 N4 O8 S2 -","- C37 H36 Cl2 N4 O8 S2 -","- C148 H144 Cl8 N16 O32 S8 -","4","1","","Liang, Kangjiang; Deng, Xu; Tong, Xiaogang; Li, Dashan; Ding, Ming; Zhou, Ankun; Xia, Chengfeng","Copper-Mediated Dimerization to Access 3a,3a'-Bispyrrolidinoindoline: Diastereoselective Synthesis of (+)-WIN 64821 and (-)-Ditryptophenaline.","Organic letters","2015","17","2","206","209","10.1021/ol5032365","","","0.71073","MoKα","","0.0411","0.0339","","","0.0918","0.0969","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518619","10.5861","0.0003","10.618","0.0003","17.0439","0.0004","90","","90","","90","","1915.79","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C96 H80 N8 O4 -","4","1","","Fu, Niankai; Zhang, Long; Luo, Sanzhong","Chiral Primary Amine Catalyzed Asymmetric Michael Addition of Malononitrile to α-Substituted Vinyl Ketone.","Organic letters","2015","17","2","382","385","10.1021/ol503566a","","","1.54178","CuKα","","0.0295","0.029","","","0.0751","0.0757","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518630","9.67492","0.00011","14.41358","0.00014","20.6293","0.00017","90","","90","","90","","2876.76","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 O8 -","- C34 H38 O8 -","- C136 H152 O32 -","4","1","","Wu, Taizong; Wang, Qian; Jiang, Cheng; Morris-Natschke, Susan L; Cui, Hui; Wang, Yan; Yan, Yuan; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong","neo-Clerodane Diterpenoids from Scutellaria barbata with Activity against Epstein-Barr Virus Lytic Replication.","Journal of natural products","2015","78","3","500","509","10.1021/np500988m","","","1.54184","CuKα","","0.0347","0.0322","","","0.0809","0.0831","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518631","9.60332","0.00009","9.87431","0.0001","26.75","0.0002","90","","90","","90","","2536.6","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O7 -","- C26 H36 O7 -","- C104 H144 O28 -","4","1","","Wu, Taizong; Wang, Qian; Jiang, Cheng; Morris-Natschke, Susan L; Cui, Hui; Wang, Yan; Yan, Yuan; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong","neo-Clerodane Diterpenoids from Scutellaria barbata with Activity against Epstein-Barr Virus Lytic Replication.","Journal of natural products","2015","78","3","500","509","10.1021/np500988m","","","1.54184","CuKα","","0.0326","0.0315","","","0.0827","0.0836","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518632","10.8914","0.0002","10.9342","0.0002","11.4227","0.0002","90","","90","","90","","1360.32","0.04","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Del Valle, Paulina; Figueroa, Mario; Mata, Rachel","Phytotoxic Eremophilane Sesquiterpenes from the Coprophilous Fungus Penicillium sp. G1-a14.","Journal of natural products","2015","78","2","339","342","10.1021/np5009224","","","1.54178","CuKα","","0.0331","0.0329","","","0.0868","0.087","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518634","6.3906","0.0003","7.7434","0.0003","38.9797","0.0017","90","","90","","90","","1928.91","0.14","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B F3 K N O -","- C20 H22 B F3 K N O -","- C80 H88 B4 F12 K4 N4 O4 -","4","1","","Hoang, Gia L.; Yang, Zhao-Di; Smith, Sean M.; Pal, Rhitankar; Miska, Judy L.; Pérez, Damaris E; Pelter, Libbie S. W.; Zeng, Xiao Cheng; Takacs, James M.","Enantioselective Desymmetrization via Carbonyl-Directed Catalytic Asymmetric Hydroboration and Suzuki-Miyaura Cross-Coupling.","Organic letters","2015","17","4","940","943","10.1021/ol503764d","","","1.54178","CuKα","","0.0252","0.024","","","0.0592","0.0596","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518635","8.447","0.0004","16.3195","0.0008","17.2927","0.0008","90","","90","","90","","2383.8","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 B F4 N2 O2 -","- C26 H29 B F4 N2 O2 -","- C104 H116 B4 F16 N8 O8 -","4","1","","Hoang, Gia L.; Yang, Zhao-Di; Smith, Sean M.; Pal, Rhitankar; Miska, Judy L.; Pérez, Damaris E; Pelter, Libbie S. W.; Zeng, Xiao Cheng; Takacs, James M.","Enantioselective Desymmetrization via Carbonyl-Directed Catalytic Asymmetric Hydroboration and Suzuki-Miyaura Cross-Coupling.","Organic letters","2015","17","4","940","943","10.1021/ol503764d","","","1.54178","CuKα","","0.0412","0.041","","","0.1083","0.1085","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518643","8.964","0.004","12.046","0.004","16.315","0.007","90","","90","","90","","1761.7","1.2","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Manna, Manash Kumar; Hossian, Asik; Jana, Ranjan","Merging C-h activation and alkene difunctionalization at room temperature: a palladium-catalyzed divergent synthesis of indoles and indolines.","Organic letters","2015","17","3","672","675","10.1021/ol5036968","","","0.71073","MoKα","","0.1216","0.0486","","","0.1067","0.1361","","","","","","0.916","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518646","9.052","0.0001","19.871","0.0003","22.2031","0.0003","90","","90","","90","","3993.72","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H56 N2 O7 Si2 -","- C34 H57 N2 O7 Si2 -","- C136 H228 N8 O28 Si8 -","4","1","","Gazvoda, Martin; Höferl-Prantz, Kathrin; Barth, Roland; Felzmann, Wolfgang; Pevec, Andrej; Košmrlj, Janez","Completely Stereocontrolled Aldol Reaction of Chiral β-Amino Acids.","Organic letters","2015","17","3","512","515","10.1021/ol503523h","","","1.54184","CuKα","","0.0614","0.0565","","","0.163","0.1692","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518648","11.0538","0.0002","12.5835","0.0002","15.8359","0.0002","90","","90","","90","","2202.7","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O7 -","- C22 H28 N2 O7 -","- C88 H112 N8 O28 -","4","1","","Gazvoda, Martin; Höferl-Prantz, Kathrin; Barth, Roland; Felzmann, Wolfgang; Pevec, Andrej; Košmrlj, Janez","Completely Stereocontrolled Aldol Reaction of Chiral β-Amino Acids.","Organic letters","2015","17","3","512","515","10.1021/ol503523h","","","1.54184","CuKα","","0.0403","0.0378","","","0.1068","0.1102","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518698","5.7161","0.0003","13.5777","0.0006","24.259","0.0012","90","","90","","90","","1882.78","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O3 -","- C22 H26 O3 -","- C88 H104 O12 -","4","1","","Fàbregas, Mireia; Gómez-Palomino, Alejandro; Pellicena, Miquel; Reina, Daniel F.; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Substrate-Controlled Michael Additions of Chiral Ketones to Enones.","Organic letters","2014","16","23","6220","","10.1021/ol503133j","","","1.54178","CuKα","","0.0333","0.0282","","","0.0687","0.071","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518708","12.882","0.004","21.1","0.006","22.706","0.006","90","","90","","90","","6172","3","","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H57 Cl3 La N15 O12 -","- C56 Cl3 La N15 O12 -","- C224 Cl12 La4 N60 O48 -","4","1","","Liu Jiacheng; Song Zhigang; Wang Liufang; Zhuang Jinzhong; Huang Xiaoying","Preparation and characterization of lanthanides(III) complexes with polybenzimidazole ligands. Crystal structure of bis[tris(N-methyl-1-benzimidazol-2-yl)-amine]lanthanum(III) perchlorate monoacetonitrile solvate","Acta Chemica Scandinavica","1999","53","","90","94","","","x-ray","0.71073","MoKα","","","0.06","","","0.065","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518712","6.0078","0.0002","15.1366","0.0005","20.0221","0.0007","90","","90","","90","","1820.76","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","","Parr, Brendan T.; Davies, Huw M. L.","Stereoselective synthesis of highly substituted cyclohexanes by a rhodium-carbene initiated domino sequence.","Organic letters","2015","17","4","794","797","10.1021/ol503508k","","","1.54178","CuKα","","0.0366","0.0358","","","0.0964","0.0974","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518713","6.2097","0.0001","14.9142","0.0002","23.193","0.0003","90","","90","","90","","2147.97","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 F3 O3 -","- C23 H27 F3 O3 -","- C92 H108 F12 O12 -","4","1","","Parr, Brendan T.; Davies, Huw M. L.","Stereoselective synthesis of highly substituted cyclohexanes by a rhodium-carbene initiated domino sequence.","Organic letters","2015","17","4","794","797","10.1021/ol503508k","","","1.54178","CuKα","","0.0416","0.0407","","","0.1058","0.1067","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518732","10.3987","0.001","18.7734","0.0018","27.849","0.003","90","","90","","90","","5436.7","0.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.63 H73.25 Cl3.25 N6 O10 -","- C48.625 H73.25 Cl3.25 N6 O10 -","- C194.5 H293 Cl13 N24 O40 -","4","1","","Pettit, George R.; Smith, Thomas H.; Arce, Pablo M.; Flahive, Erik J.; Anderson, Collin R.; Chapuis, Jean-Charles; Xu, Jun-Ping; Groy, Thomas L.; Belcher, Paul E.; Macdonald, Christian B.","Antineoplastic agents. 599. Total synthesis of dolastatin 16.","Journal of natural products","2015","78","3","476","485","10.1021/np500925y","","","0.71073","MoKα","","0.0677","0.0577","","","0.1536","0.1611","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518769","6.0367","0.0005","19.1261","0.0015","20.5025","0.0018","90","","90","","90","","2367.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 N3 O4 -","- C25 H33 N3 O4 -","- C100 H132 N12 O16 -","4","1","","Meng, Ling-Hong; Du, Feng-Yu; Li, Xiao-Ming; Pedpradab, Patchara; Xu, Gang-Ming; Wang, Bin-Gui","Rubrumazines A-C, Indolediketopiperazines of the Isoechinulin Class from Eurotium rubrum MA-150, a Fungus Obtained from Marine Mangrove-Derived Rhizospheric Soil.","Journal of natural products","2015","78","4","909","913","10.1021/np5007839","","","1.54178","CuKα","","0.2607","0.1021","","","0.1588","0.2663","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518772","9.6557","0.0002","10.7366","0.0003","25.0366","0.0004","90","","90","","90","","2595.53","0.1","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Br Cl3 N O2 -","- C28 H23 Br Cl3 N O2 -","- C112 H92 Br4 Cl12 N4 O8 -","4","1","","Saha, Satyajit; Schneider, Christoph","Directing Group Assisted Nucleophilic Substitution of Propargylic Alcohols via o-Quinone Methide Intermediates: Brønsted Acid Catalyzed, Highly Enantio- and Diastereoselective Synthesis of 7-Alkynyl-12a-acetamido-Substituted Benzoxanthenes.","Organic letters","2015","17","3","648","651","10.1021/ol503662g","","x-ray","0.71073","MoKα","","0.0425","0.034","","","0.0628","0.0662","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518773","7.3516","0.0002","9.5635","0.0002","29.4896","0.0005","90","","90","","90","","2073.33","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Saha, Satyajit; Schneider, Christoph","Directing Group Assisted Nucleophilic Substitution of Propargylic Alcohols via o-Quinone Methide Intermediates: Brønsted Acid Catalyzed, Highly Enantio- and Diastereoselective Synthesis of 7-Alkynyl-12a-acetamido-Substituted Benzoxanthenes.","Organic letters","2015","17","3","648","651","10.1021/ol503662g","","x-ray","0.71073","MoKα","","0.0354","0.0311","","","0.069","0.0711","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518775","10.734","0.007","12.344","0.004","13.282","0.005","90","","90","","90","","1759.9","1.4","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Gao, Chun; Han, Li; Zheng, Dan; Jin, Hongwei; Gai, Chunyan; Wang, Jianbin; Zhang, Hao; Zhang, Liangren; Fu, Hongzheng","Dimeric Abietane Diterpenoids and Sesquiterpenoid Lactones from Teucrium viscidum.","Journal of natural products","2015","78","4","630","638","10.1021/np500746n","","","1.54178","CuKα","","0.0325","0.0319","","","0.0856","0.0862","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518785","7.1546","0.0004","12.8526","0.0007","20.4294","0.0006","90","","90","","90","","1878.59","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 B N3 O4 -","- C17 H30 B N3 O4 -","- C68 H120 B4 N12 O16 -","4","1","","Chauvier, Clément; Tlili, Anis; Das Neves Gomes, Christophe; Thuéry, Pierre; Cantat, Thibault","Metal-free dehydrogenation of formic acid to H2and CO2using boron-based catalysts","Chem. Sci.","2015","6","5","2938","","10.1039/C5SC00394F","","","0.71073","MoKα","","0.0437","0.0378","","","0.0856","0.0882","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518842","5.9536","0.0018","7.269","0.002","31.978","0.011","90","","90","","90","","1383.9","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 F O2 S -","- C15 H13 F O2 S -","- C60 H52 F4 O8 S4 -","4","1","","Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang","Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.","Organic letters","2015","17","7","1692","1695","10.1021/acs.orglett.5b00461","","","0.71073","MoKα","","0.1027","0.0552","","","0.1143","0.1533","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518864","7.7656","0.0002","10.9811","0.0002","18.788","0.0005","90","","90","","90","","1602.14","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br O4 -","- C16 H19 Br O4 -","- C64 H76 Br4 O16 -","4","1","","Cen-Pacheco, Francisco; Santiago-Benítez, Adrián J; García, Celina; Álvarez-Méndez, Sergio J; Martín-Rodríguez, Alberto J; Norte, Manuel; Martín, Victor S; Gavín, José A; Fernández, José J; Daranas, Antonio Hernández","Oxasqualenoids from Laurencia viridis: Combined Spectroscopic-Computational Analysis and Antifouling Potential.","Journal of natural products","2015","78","4","712","721","10.1021/np5008922","","x-ray","1.54184","CuKα","","0.0291","0.0278","","","0.07","0.0713","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518868","6.2991","0.0002","10.5035","0.0004","24.7572","0.0009","90","","90","","90","","1638","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Zhao, Ming; Onakpa, Michael Monday; Chen, Wei-Lun; Santarsiero, Bernard D.; Swanson, Steven M.; Burdette, Joanna E.; Asuzu, Isaac Uzoma; Che, Chun-Tao","17-Norpimaranes and (9βH)-17-Norpimaranes from the Tuber of Icacina trichantha.","Journal of natural products","2015","78","4","789","796","10.1021/np5010328","","","1.54178","CuKα","","0.0331","0.033","","","0.0787","0.0788","","","","","","1.206","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518889","7.8619","0.0012","14.832","0.002","23.03","0.003","90","","90","","90","","2685.5","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 O9 -","- C30 H36 O9 -","- C120 H144 O36 -","4","1","","Yan, Ying; Zhang, Jian-Xin; Huang, Tao; Mao, Xin-Ying; Gu, Wei; He, Hong-Ping; Di, Ying-Tong; Li, Shun-Lin; Chen, Duo-Zhi; Zhang, Yu; Hao, Xiao-Jiang","Bioactive Limonoid Constituents of Munronia henryi.","Journal of natural products","2015","78","4","811","821","10.1021/np501057f","","","0.71073","MoKα","","0.1396","0.1315","","","0.2838","0.2878","","","","","","1.165","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518891","9.29143","0.00017","10.36338","0.00019","14.7858","0.0003","90","","90","","90","","1423.73","0.05","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 S -","- C16 H15 N O2 S -","- C64 H60 N4 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Tasaka, Tomohiko Tasaka; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl-1,5-benzothiazepine and Its S-Oxide as Vasopres-sin Receptor Ligands: Insight into the Active Stereochemistry around the 7-Membered Ring.","Journal of medicinal chemistry","2015","","","150324093458001","","10.1021/acs.jmedchem.5b00289","","","1.54187","CuKα","","","0.0308","","","","0.0468","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518892","7.822","0.0002","12.4501","0.0004","17.1803","0.0006","90","","90","","90","","1673.1","0.09","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Addo, Ermias Mekuria; Chai, Hee-Byung; Hymete, Ariaya; Yeshak, Mariamawit Yonathan; Slebodnick, Carla; Kingston, David G. I.; Rakotondraibe, L. Harinantenaina","Antiproliferative Constituents of the Roots of Ethiopian Podocarpus falcatus and Structure Revision of 2α-Hydroxynagilactone F and Nagilactone I.","Journal of natural products","2015","78","4","827","835","10.1021/np501062f","","x-ray","1.54184","CuKα","","0.0444","0.0408","","","0.1041","0.1074","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518893","7.7793","0.0001","11.7726","0.0001","19.7352","0.0003","90","","90","","90","","1807.4","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","1","","Addo, Ermias Mekuria; Chai, Hee-Byung; Hymete, Ariaya; Yeshak, Mariamawit Yonathan; Slebodnick, Carla; Kingston, David G. I.; Rakotondraibe, L. Harinantenaina","Antiproliferative Constituents of the Roots of Ethiopian Podocarpus falcatus and Structure Revision of 2α-Hydroxynagilactone F and Nagilactone I.","Journal of natural products","2015","78","4","827","835","10.1021/np501062f","","x-ray","1.54184","CuKα","","0.0356","0.0344","","","0.092","0.0931","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518894","7.1335","0.0001","8.3601","0.0001","26.2049","0.0005","90","","90","","90","","1562.78","0.04","99.9","0.14","99.9","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O7 -","- C18 H22 O7 -","- C72 H88 O28 -","4","1","","Addo, Ermias Mekuria; Chai, Hee-Byung; Hymete, Ariaya; Yeshak, Mariamawit Yonathan; Slebodnick, Carla; Kingston, David G. I.; Rakotondraibe, L. Harinantenaina","Antiproliferative Constituents of the Roots of Ethiopian Podocarpus falcatus and Structure Revision of 2α-Hydroxynagilactone F and Nagilactone I.","Journal of natural products","2015","78","4","827","835","10.1021/np501062f","","x-ray","1.54184","CuKα","","0.034","0.0323","","","0.0818","0.0834","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518935","6.1686","0.0013","16.856","0.004","18.745","0.004","90","","90","","90","","1949.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","","Shu, Wen-Ming; Zheng, Kai-Lu; Ma, Jun-Rui; Sun, Hui-Ying; Wang, Mei; Wu, An-Xin","Convenient Access to Polyfunctional Pyrazoles via a Highly Efficient and Regioselective Multicomponent Reaction","Organic Letters","2015","","","150331121648004","","10.1021/acs.orglett.5b00605","","","0.71073","MoKα","","0.0966","0.0501","","","0.1183","0.1433","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518948","5.7467","0.0001","9.4574","0.0001","27.5934","0.0004","90","","90","","90","","1499.67","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F3 N2 O -","- C17 H15 F3 N2 O -","- C68 H60 F12 N8 O4 -","4","1","","Chen, Zhang-Pei; Chen, Mu-Wang; Shi, Lei; Yu, Chang-Bin; Zhou, Yong-Gui","Pd-catalyzed asymmetric hydrogenation of fluorinated aromatic pyrazol-5-ols via capture of active tautomers","Chem. Sci.","2015","6","6","3415","","10.1039/C5SC00835B","","","1.54178","CuKα","","0.0445","0.0426","","","0.1187","0.1214","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518992","5.7471","0.0008","8.0541","0.0011","31.351","0.004","90","","90","","90","","1451.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Mao, Shuai; Gao, Ya-Ru; Zhu, Xue-Qing; Guo, Dong-Dong; Wang, Yong-Qiang","Copper-catalyzed radical reaction of N-tosylhydrazones: stereoselective synthesis of (e)-vinyl sulfones.","Organic letters","2015","17","7","1692","1695","10.1021/acs.orglett.5b00461","","","0.71073","MoKα","","0.0772","0.0517","","","0.1038","0.1162","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518996","9.8991","0.0011","10.1513","0.0011","17.5003","0.0019","90","","90","","90","","1758.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Yetra, Santhivardhana Reddy; Mondal, Santigopal; Suresh, Eringathodi; Biju, Akkattu T.","Enantioselective Synthesis of Functionalized Pyrazoles by NHC-Catalyzed Reaction of Pyrazolones with α,β-Unsaturated Aldehydes.","Organic letters","2015","17","6","1417","1420","10.1021/acs.orglett.5b00293","","","0.71073","MoKα","","0.0683","0.0612","","","0.1235","0.1261","","","","","","1.21","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518998","8.477","0.0004","8.5847","0.0005","17.547","0.0005","90","","90","","90","","1276.94","0.1","294.39","0.1","294.39","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Jiang, Liyin; Jia, Tao; Wang, Min; Liao, Jian; Cao, Peng","Pd-catalyzed enantioselective hydroalkoxylation of alkoxyallenes with phenol for construction of acyclic o,o-acetals.","Organic letters","2015","17","5","1070","1073","10.1021/acs.orglett.5b00146","","","1.54184","CuKα","","0.0469","0.044","","","0.1064","0.1086","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519004","6.215","0.0012","12.921","0.003","20.161","0.004","90","","90","","90","","1619","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Qin, Qixue; Yu, Shouyun","Visible-Light-Promoted Remote C(sp3)‒H Amidation and Chlorination","Organic Letters","2015","","","150408101742008","","10.1021/acs.orglett.5b00582","","","0.71073","MoKα","","0.119","0.0626","","","0.1329","0.1575","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519027","17.942","0.009","17.979","0.004","16.344","0.008","90","","90","","90","","5272","4","","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H68 Co N8 O6 Re6 S8 -","- C30 Co N8 O6 Re6 S8 -","- C120 Co4 N32 O24 Re24 S32 -","4","1","","Naumov, N. G.; Artemkina, S. B.; Virovets, A. V.; Fedorov, V. E.","Adjustment of dimensionality in covalent frameworks formed by Co2+ and rhenium cluster chalcocyanide [Re6S8(CN)6]4-","Solid State Sciences","1999","1","","473","482","","","x-ray","0.71073","MoKα","","","0.0331","","","0.07","","","","","","","0.789","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519110","6.4649","0.0004","7.6187","0.0004","21.2897","0.0013","90","","90","","90","","1048.61","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H0 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Tizzard, G; Threlfall, T; Ling, S; Coles, S","(E)-2,4,5-trifluoro-N-(4-fluorobenzylidene)aniline","Crystal Structure Report Archive","2011","","","1424","","","","","0.71073","MoKα","","0.0877","0.0541","","","0.1319","0.1728","","","","","","0.668","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519111","7.2921","0.0015","8.0475","0.0016","26.378","0.005","90","","90","","90","","1547.9","0.5","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C72 H96 O8 -","4","1","","Wood, Kenneth J; Fronckowiak, M; Duax, William L; Hursthouse, Michael B.; Lamond, Steven J.; Surplice, Luke","19-nor-4-androstene-3,17-dione","Crystal Structure Report Archive","1987","","","1231","","","","","0.71073","MoKα","","0.1015","0.0967","","","0.4215","0.4262","","","","","","2.266","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519125","10.543","0.0003","16.315","0.0007","18.895","0.0008","90","","90","","90","","3250.1","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 As I2 N O3 W -","- C28 H20 As I2 N O3 W -","- C112 H80 As4 I8 N4 O12 W4 -","4","1","","Baker, P; Hursthouse, Michael B.","C28H20NO3I2AsW","Crystal Structure Report Archive","1993","","","1023","","","","","0.71069","MoKα","","0.0583","0.0438","","","0.1246","0.1433","","","","","","0.495","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519126","7.9919","0.0004","22.982","0.006","8.845","0.003","90","","90","","90","","1624.6","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cl O8 -","- C13 H19 Cl O8 -","- C52 H76 Cl4 O32 -","4","1","","Sawden, Janette; Hursthouse, Michael B.","C13H19ClO8","Crystal Structure Report Archive","1993","","","1183","","","","","0.71069","MoKα","","0.0409","0.0316","","","0.0763","0.09","","","","","","0.406","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519185","8.028","0.003","10.396","0.002","24.955","0.002","90","","90","","90","","2082.7","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Br N O -","- C26 H26 Br N O -","- C104 H104 Br4 N4 O4 -","4","1","","Pelter, Andy; Hibbs, Dai E.; Hursthouse, Michael B","C26H26BrNO","Crystal Structure Report Archive","1997","","","791","","","","","0.71069","MoKα","","0.1004","0.0327","","0.0584","0.0468","","","","0.47","0.654","0.654","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519187","7.5921","0.0011","14.9902","0.0009","15.372","0.002","90","","90","","90","","1749.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Fe N2 -","- C22 H18 Fe N2 -","- C88 H72 Fe4 N8 -","4","1","","Tucker, J. H. R.; Hursthouse, Michael B.; Coles, Simon J.; Carr, J. D.","1-(2,2-bis(Pyrid-2-yl)ethenyl)ferrocene","Crystal Structure Report Archive","1997","","","90","","","","","0.71069","MoKα","","0.0541","0.0422","","0.0962","0.0937","","","","0.887","0.994","0.994","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519194","13.543","0.0005","14.991","0.0009","16.009","0.001","90","","90","","90","","3250.2","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 Cl4 Fe N P2 Pd -","- C27 H47 Cl4 Fe N P2 Pd -","- C108 H188 Cl16 Fe4 N4 P8 Pd4 -","4","1","","Butler, Ian R.; Light, Mark E.; Hursthouse, Michael B.","C27H47Cl4FeNP2Pd","Crystal Structure Report Archive","1998","","","745","","","","","0.71073","MoKα","","0.073","0.0538","","","0.1009","0.1108","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519243","8.5829","0.0017","15.587","0.003","25.277","0.005","90","","90","","90","","3381.6","1.1","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Cl8 N9 P6 S -","- C15 H25 Cl8 N9 P6 S -","- C60 H100 Cl32 N36 P24 S4 -","4","1","","Shaw, R. A.; Davies, David B.; Kilic, A.; Ibisoglu, H.; Coles, Simon J.; Hursthouse, Michael B.","(4,4,6,6-tetrachloro-2-[(2,4-dimethylphenyl)thio]-N-[4-(2,2,4,4- tetrachloro- 1,3,5,7,11-pentaaza-2?5,4?5,6?5-triphosphaspiro[5.5] undeca-1,3,5-trien-7-yl) butyl]-1,3,5,2?5,4?5,6?5- triazatriphosphinin-2-amine (C15H25Cl8N9P6S)","Crystal Structure Report Archive","2000","","","336","","","","","0.71073","MoKα","","0.0665","0.0453","","","0.1003","0.1127","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519288","8.342","0.0017","12.846","0.003","22.736","0.005","90","","90","","90","","2436.4","0.9","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O9 -","- C26 H30 O9 -","- C104 H120 O36 -","4","1","","Ward, Robert S.; Coles, Simon J.; Hursthouse, Michael B.","C26H30O9","Crystal Structure Report Archive","2000","","","105","","","","","0.71073","MoKα","","0.0658","0.0427","","","0.0957","0.105","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519291","10.9877","0.0007","11.9703","0.0008","22.4663","0.0018","90","","90","","90","","2954.9","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O11 S -","- C28 H32 N2 O11 S -","- C112 H128 N8 O44 S4 -","4","1","","Light, Mark E.; Jimenez, J. L.; Hursthouse, Michael B.; Cintas, P.; Babiano, R.; Avalos, M.; Arevalo, M. J.; Palacios, J. C.","5-Cyano-2-methyl-4-phenyl-1-(5,6,7-tris(acetoxy)-2,10-dioxa-3,9-dioxa-undeca- 4-yl)-2-aza-7-thiabicyclo[2.2.1]heptane-3-one","Crystal Structure Report Archive","2001","","","117","","","","","0.71073","MoKα","","0.3088","0.0848","","","0.1318","0.193","","","","","","0.904","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519305","11.4829","0.0003","14.5419","0.0003","15.7595","0.0004","90","","90","","90","","2631.57","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N2 O6 Si -","- C27 H36 N2 O6 Si -","- C108 H144 N8 O24 Si4 -","4","1","","Hursthouse, Michael B.; Light, Mark E.","((2R,5S)-2,5-bis(4-Nitrophenyl)perhydrofuro(2,3-b)furan-3-yl)triisopropylsilane","Crystal Structure Report Archive","2001","","","124","","","","","0.71073","MoKα","","0.0363","0.0307","","","0.0722","0.0738","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519311","8.4889","0.0002","11.535","0.0002","31.9275","0.0006","90","","90","","90","","3126.32","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 Cl N4 O12 -","- C26 H33 Cl N4 O12 -","- C104 H132 Cl4 N16 O48 -","4","1","","Palacios, J. C.; Light, Mark E.; Jimenez, J. L.; Hursthouse, Michael B.; Gordillo, R.; Clemente, F. R.; Cintas, P.; Babiano, R.; Avalos, M.","(1E,2Z)-1-(Chlorophenyl)-1,2-bis(ethoxycarbonyl)-D-glucosazone","Crystal Structure Report Archive","2001","","","118","","","","","0.71073","MoKα","","0.0784","0.0498","","","0.1105","0.1224","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519322","7.5556","0.0003","8.0446","0.0003","22.9549","0.0008","90","","90","","90","","1395.24","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Hursthouse, Michael B.; Light, Mark E.","(2S*)-2-Hydroxy-2-((2S*,5R*)-5-(1-hydroxy-1-methylethyl)tetrahydrofuran-2-yl)- 1-phenylethanone","Crystal Structure Report Archive","2001","","","110","","","","","0.71073","MoKα","","0.0565","0.0507","","","0.1298","0.1368","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519343","11.0425","0.0002","15.4028","0.0003","16.0274","0.0004","90","","90","","90","","2726.03","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 F6 N2 O4 Pd2 -","- C24 H24 F6 N2 O4 Pd2 -","- C96 H96 F24 N8 O16 Pd8 -","4","1","","Light, Mark E.; Hursthouse, Michael B.; Gelbrich, Thomas; Horton, Peter N.; Coles, Simon J.; Cazin, C. S. J.; Bedford, R. B.","bis(I(1/4)2-Trifluoroacetato-O,O')-bis(2-((isopropylimino)methyl)phenyl-C,N) -di-palladium","Crystal Structure Report Archive","2001","","","126","","","","","0.71073","MoKα","","0.0343","0.0296","","","0.0671","0.0688","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519388","11.295","0.005","12.39","0.004","16.088","0.003","90","","90","","90","","2251.4","1.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N5 O2 -","- C27 H25 N5 O2 -","- C108 H100 N20 O8 -","4","1","","Li, Qi; Xia, Tingting; Yao, Licheng; Deng, Haiteng; Liao, Xuebin","Enantioselective and diastereoselective azo-coupling/iminium-cyclizations: a unified strategy for the total syntheses of (−)-psychotriasine and (+)-pestalazine B","Chem. Sci.","2015","6","6","3599","","10.1039/C5SC00338E","","","0.71073","MoKα","","0.0602","0.0412","","","0.0739","0.0849","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519405","5.8732","0.0017","11.684","0.003","28.383","0.008","90","","90","","90","","1947.7","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C104 H80 O12 -","4","1","","Li, Guo-Tai; Gu, Qing; You, Shu-Li","Enantioselective annulation of enals with 2-naphthols by triazolium salts derived froml-phenylalanine","Chem. Sci.","2015","6","7","4273","","10.1039/C5SC00731C","","","0.71073","MoKα","","0.0688","0.0477","","","0.109","0.119","","","","","","1.013","","","","has coordinates","143335","2020-10-21","18:00:00",""
"1519409","6.2836","0.0003","12.6214","0.0007","37.0026","0.0017","90","","90","","90","","2934.6","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl O3 -","- C17 H17 Cl O3 -","- C136 H136 Cl8 O24 -","8","2","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0297","0.0279","","","0.0709","0.0716","","","","","","1.056","","","","has coordinates","138471","2020-10-21","18:00:00",""
"1519412","6.71816","0.00007","13.19234","0.00016","17.888","0.0002","90","","90","","90","","1585.38","0.03","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C72 H76 N4 O20 -","4","1","","Burns, Alan R.; Madec, Amaël G. E.; Low, Darryl W.; Roy, Iain D.; Lam, Hon Wai","Enantioselective synthesis of bicyclo[3.n.1]alkanes by chiral phosphoric acid-catalyzed desymmetrizing Michael cyclizations","Chem. Sci.","2015","6","6","3550","","10.1039/C5SC00753D","","x-ray","1.54184","CuKα","","0.0299","0.0295","","","0.0786","0.0789","","","","","","1.054","","","","has coordinates","138471","2020-10-21","18:00:00",""
"1519413","9.632","0.002","9.726","0.002","11.729","0.003","90","","90","","90","","1098.8","0.4","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Cl O3 -","- C12 H9 Cl O3 -","- C48 H36 Cl4 O12 -","4","1","","Yin, Qin; Wang, Shou-Guo; Liang, Xiao-Wei; Gao, De-Wei; Zheng, Jun; You, Shu-Li","Organocatalytic asymmetric chlorinative dearomatization of naphthols","Chem. Sci.","2015","6","7","4179","","10.1039/C5SC00494B","","","0.71073","MoKα","","0.0471","0.0437","","","0.1154","0.1182","","","","","","1.073","","","","has coordinates","143346","2020-10-21","18:00:00",""
"1519414","7.45","0.0009","7.796","0.0009","21.193","0.003","90","","90","","90","","1230.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Br Cl O3 -","- C12 H8 Br Cl O3 -","- C48 H32 Br4 Cl4 O12 -","4","1","","Yin, Qin; Wang, Shou-Guo; Liang, Xiao-Wei; Gao, De-Wei; Zheng, Jun; You, Shu-Li","Organocatalytic asymmetric chlorinative dearomatization of naphthols","Chem. Sci.","2015","6","7","4179","","10.1039/C5SC00494B","","","0.71073","MoKα","","0.0494","0.0386","","","0.0941","0.0988","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519418","7.9685","0.0007","11.0136","0.0009","16.1416","0.0014","90","","90","","90","","1416.6","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F S -","- C17 H17 F S -","- C68 H68 F4 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0286","0.0284","","","0.0709","0.0711","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519419","9.4841","0.0003","9.9993","0.0003","14.7157","0.0005","90","","90","","90","","1395.55","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F O S -","- C17 H17 F O S -","- C68 H68 F4 O4 S4 -","4","1","","Thiehoff, C.; Holland, M. C.; Daniliuc, C.; Houk, K. N.; Gilmour, R.","Can acyclic conformational control be achieved via a sulfur‒fluorine gauche effect?","Chem. Sci.","2015","6","6","3565","","10.1039/C5SC00871A","","","1.54178","CuKα","","0.0274","0.0265","","","0.0665","0.067","","","","","","1.048","","","","has coordinates","138472","2020-10-21","18:00:00",""
"1519440","8.7857","0.0006","16.2342","0.0007","17.0357","0.001","90","","90","","90","","2429.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Br O4 -","- C28 H27 Br O4 -","- C112 H108 Br4 O16 -","4","1","","Verrier, Charlie; Melchiorre, Paolo","Diastereodivergent organocatalysis for the asymmetric synthesis of chiral annulated furans","Chem. Sci.","2015","6","7","4242","","10.1039/C5SC01052G","","","0.71073","MoKα","","0.0456","0.0345","","","0.0694","0.0727","","","","","","1.037","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1519442","16.4315","0.0012","18.87","0.0014","30.286","0.002","90","","90","","90","","9390.5","1.2","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H87 Cl5 Cu5 N16 O48 P2 -","- C68 H87 Cl5 Cu5 N16 O48 P2 -","- C272 H348 Cl20 Cu20 N64 O192 P8 -","4","1","","Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni","Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion","Chem. Sci.","2015","6","7","4300","","10.1039/C5SC01089F","","","1.54178","CuKα","","0.0318","0.0291","","","0.071","0.0723","","","","","","1.025","","","","has coordinates","143364","2020-10-21","18:00:00",""
"1519469","8.2682","0.0002","13.1798","0.0004","16.1482","0.0005","90","","90","","90","","1759.72","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cl2 F4 N4 O3 P3 -","- C9 H15 Cl2 F4 N4 O3 P3 -","- C36 H60 Cl8 F16 N16 O12 P12 -","4","1","","Shaw, Robert. A.; Davies, David B.; Coles, Simon J.; Hursthouse, Michael B.","C9H15Cl2F4N4O3P3","Crystal Structure Report Archive","2002","","","874","","","","","0.71073","MoKα","","0.0408","0.0322","","","0.0746","0.0789","","","","","","0.918","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519481","9.7279","0.0002","10.2527","0.0002","20.2703","0.0004","90","","90","","90","","2021.7","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N O2 P -","- C22 H28 N O2 P -","- C88 H112 N4 O8 P4 -","4","1","","Hii, Mimi; Horton, Peter N.; Hursthouse, Michael B.","C22H28NO2P","Crystal Structure Report Archive","2002","","","888","","","","","0.71073","MoKα","","0.0497","0.0375","","","0.0783","0.0832","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519514","5.788","0.005","17.499","0.005","19.463","0.005","90","0.005","90","0.005","90","0.005","1971.3","1.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 O3 P -","- C23 H23 O3 P -","- C92 H92 O12 P4 -","4","1","","Hancock, P.; Hursthouse, Michael B.; Murphy, P. J.; Light, Mark E.","Ethyl 3-(diphenylphosphinoyl)-3-phenylpropionate","Crystal Structure Report Archive","2002","","","39","","","","","0.71069","MoKα","","0.1106","0.0552","","","0.0939","0.1102","","","","","","0.981","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519545","8.5458","0.0004","9.382","0.0005","38.281","0.002","90","","90","","90","","3069.2","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 F6 N2 P -","- C27 H39 F6 N2 P -","- C108 H156 F24 N8 P4 -","4","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C27H39F6N2P","Crystal Structure Report Archive","2003","","","961","","","","","0.71073","MoKα","","0.156","0.091","","","0.2445","0.2897","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519551","8.2378","0.0005","9.2872","0.0005","25.4354","0.0013","90","","90","","90","","1945.96","0.19","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O2 -","- C24 H25 N O2 -","- C96 H100 N4 O8 -","4","1","","Cunnigham, Ian; Coles, Simon J.; Hursthouse, Michael B.","C12H12.50N0.50O","Crystal Structure Report Archive","2003","","","885","","","","","0.71073","MoKα","","0.0987","0.0634","","","0.1711","0.1938","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519558","8.5353","0.0004","9.3386","0.0003","43.444","0.002","90","","90","","90","","3462.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H55 F6 N2 P -","- C31 H55 F6 N2 P -","- C124 H220 F24 N8 P4 -","4","1","","Butts, Craig; Coles, Simon J.; Hursthouse, Michael B.","C31H55F6N2P","Crystal Structure Report Archive","2003","","","995","","","","","0.71073","MoKα","","0.1411","0.0756","","","0.1952","0.2279","","","","","","1.028","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519587","13.648","0.003","17.348","0.003","33.734","0.008","90","","90","","90","","7987","3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H23 Cl2 N4 O6 P3 -","- C11 H23 Cl2 N4 O6 P3 -","- C176 H368 Cl32 N64 O96 P48 -","16","4","","Hursthouse, Michael B.; Coles, Simon J.","2,2-(3'-amino-1'-propanoxy)-4,6-oxy(tetraethyleneoxy)-4,6- dichlorocyclotriphosphazatriene","Crystal Structure Report Archive","2004","","","147","","","","","0.71073","MoKα","","0.1038","0.0613","","","0.119","0.1362","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519612","8.713","0.0006","11.51","0.0008","20.253","0.0013","90","","90","","90","","2031.1","0.2","122","1","122","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Schizine A","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C96 H100 N4 O20 -","4","1","","Liu, Xuemei; Frydenvang, Karla; Liu, Huizhen; Zhai, Lin; Chen, Ming; Olsen, Carl Erik; Christensen, Søren Brøgger","Iminolactones from Schizophyllum commune.","Journal of natural products","2015","78","5","1165","1168","10.1021/np500836y","","","0.71073","MoKα","","0.0431","0.035","","","0.078","0.0827","","","","","","1.092","","","","has coordinates","138266","2020-10-21","18:00:00",""
"1519615","6.3147","0.0002","23.2682","0.0009","25.4495","0.0011","90","","90","","90","","3739.3","0.2","290.92","0.1","290.92","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31.5 N0.5 O2 -","- C21 H31.5 N0.5 O2 -","- C168 H252 N4 O16 -","8","2","","Jiang, Kan; Chen, Lu-Lin; Wang, Shu-Fang; Wang, Yi; Li, Ya; Gao, Kun","Anti-inflammatory Terpenoids from the Leaves and Twigs of Dysoxylum gotadhora.","Journal of natural products","2015","78","5","1037","1044","10.1021/np5010196","","","1.54184","CuKα","","0.0641","0.0478","","","0.1146","0.1259","","","","","","1.054","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1519642","10.4709","0.0003","17.4983","0.0005","18.6976","0.0005","90","","90","","90","","3425.83","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H54 N4 Na O6 P -","- C32 H54 N4 Na O6 P -","- C128 H216 N16 Na4 O24 P4 -","4","1","","Heift, Dominikus; Benkő, Zoltán; Grützmacher, Hansjörg; Jupp, Andrew R.; Goicoechea, Jose M.","Cyclo-oligomerization of isocyanates with Na(PH2) or Na(OCP) as “P−” anion sources","Chem. Sci.","2015","6","7","4017","","10.1039/C5SC00963D","","","1.54178","CuKα","","0.046","0.0409","","","0.0926","0.1001","","","","","","1.173","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519658","10.409","0.0007","15.4718","0.0011","16.588","0.0011","90","","90","","90","","2671.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Br N O6 -","- C28 H28 Br N O6 -","- C112 H112 Br4 N4 O24 -","4","1","","Hu, Jiang-Lin; Wang, Lijia; Xu, Hao; Xie, Zuowei; Tang, Yong","Highly diastereoselective and enantioselective formal [4 + 3] cycloaddition of donor-acceptor cyclobutanes with nitrones.","Organic letters","2015","17","11","2680","2683","10.1021/acs.orglett.5b01077","","","0.71073","MoKα","","0.0661","0.0414","","","0.093","0.1023","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519681","13.574","0.004","8.584","0.003","5.429","0.002","90","","90","","90","","632.6","0.4","","","160","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O6 -","- C12 N2 O6 -","- C24 N4 O12 -","2","0.5","","Tanner, David; Railton, Craig J.; Pettersson, Ingrid; Sotofte, Inger","Synthesis, Structure and Reactivity of an Evans-type Bis(imide) Derived from a C2-Symmetric Bis(oxazolidinone). A Reluctant Chiral Auxiliary.","Acta Chemica Scandinavica","1999","53","","703","709","","","x-ray","0.71073","MoKα","","","0.0466","","","0.0977","","","","","","","","","","","has coordinates","136657","2020-10-21","18:00:00",""
"1519683","6.967","0.001","14.804","0.002","26.2","0.004","90","","90","","90","","2702.3","0.7","","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 B18 Ni -","- C20 B18 Ni -","- C80 B72 Ni4 -","4","1","","Schubert, David M.; Harwell, David E.; Knobler, Carolyn B.; Hawthorne, M. Frederick","Structural Characterization of Charge Transfer Complexes of the Nickel(IV) Bis(3,1,2-dicarbollyl) Sandwich Compound","Acta Chemica Scandinavica","1999","53","","721","730","","","x-ray","0.7107","MoKα","","","0.075","","","0.094","","","","","","","","","","","has coordinates","136667","2020-10-21","18:00:00",""
"1519695","8.099","0.003","13.445","0.004","16.407","0.005","90","","90","","90","","1786.6","1","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O2 -","- C23 H22 O2 -","- C92 H88 O8 -","4","1","","Mitra, Nirmal K.; Meudom, Rolande; Gorden, John D.; Merner, Bradley L.","A non-cross-coupling approach to arene-bridged macrocycles: synthesis, structure, and direct, regioselective functionalization of a cycloparaphenylene fragment.","Organic letters","2015","17","11","2700","2703","10.1021/acs.orglett.5b01102","","","0.71073","","","0.0587","0.0404","","","0.068","0.0721","","","","","","0.973","","","","has coordinates","140287","2020-10-21","18:00:00",""
"1519696","6.1061","0.0002","18.8064","0.0005","27.8827","0.0007","90","","90","","90","","3201.88","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 F O -","- C13 H13 F O -","- C156 H156 F12 O12 -","12","3","","Witten, Michael R.; Jacobsen, Eric N.","A Simple Primary Amine Catalyst for Enantioselective α-Hydroxylations and α-Fluorinations of Branched Aldehydes.","Organic letters","2015","17","11","2772","2775","10.1021/acs.orglett.5b01193","","","1.54178","CuKα","","0.0484","0.0418","","","0.1078","0.1114","","","","","","1.065","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1519698","5.5342","0.0002","11.1421","0.0004","14.6505","0.0006","90","","90","","90","","903.39","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 F O -","- C10 H13 F O -","- C40 H52 F4 O4 -","4","1","","Witten, Michael R.; Jacobsen, Eric N.","A Simple Primary Amine Catalyst for Enantioselective α-Hydroxylations and α-Fluorinations of Branched Aldehydes.","Organic letters","2015","17","11","2772","2775","10.1021/acs.orglett.5b01193","","","1.54178","CuKα","","0.0271","0.0258","","","0.067","0.0682","","","","","","1.056","","","","has coordinates","140290","2020-10-21","18:00:00",""
"1519715","8.0214","0.0014","18.267","0.003","21.084","0.004","90","","90","","90","","3089.4","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H29 N O4 -","- C42 H29 N O4 -","- C168 H116 N4 O16 -","4","1","","Hwang, Jungwun; Dial, Brent E.; Li, Ping; Kozik, Michael E.; Smith, Mark D.; Shimizu, Ken D.","How important are dispersion interactions to the strength of aromatic stacking interactions in solution?","Chem. Sci.","2015","6","7","4358","","10.1039/C5SC01370D","","","0.71073","MoKα","","0.0573","0.034","","","0.0364","0.0403","","","","","","0.804","","","","has coordinates","143352","2020-10-21","18:00:00",""
"1519729","8.0116","0.0001","8.3409","0.0001","12.2865","0.0002","90","","90","","90","","821.03","0.02","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 S3 -","- C7 H8 S3 -","- C28 H32 S12 -","4","1","","Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B.","C7H8S3","Crystal Structure Report Archive","2004","","","1003","","","","","0.71073","MoKα","","0.0202","0.0197","","","0.0495","0.05","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519744","11.6146","0.0002","13.342","0.0004","16.3699","0.0004","90","","90","","90","","2536.71","0.11","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N5 Ni O3 S2 -","- C24 H29 N5 Ni O3 S2 -","- C96 H116 N20 Ni4 O12 S8 -","4","1","","Smith, Paul D.; Coles, Simon J.; Hursthouse, Michael B.","C24H29N5NiO3S2","Crystal Structure Report Archive","2004","","","905","","","","","0.71073","MoKα","","0.0367","0.0334","","","0.0757","0.0781","","","","","","0.993","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519762","9.394","0.0005","10.5702","0.0006","19.7348","0.0008","90","","90","","90","","1959.6","0.17","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl2 N O P Pd -","- C19 H16 Cl2 N O P Pd -","- C76 H64 Cl8 N4 O4 P4 Pd4 -","4","1","","Menendez-Rodriguez, Lucia; Tomás-Mendivil, Eder; Francos, Javier; Najera, Carmen; Crochet, Pascale; Cadierno, Victorio","Palladium(II) complexes with a phosphino-oxime ligand: Synthesis, structure and applications to the catalytic rearrangement and dehydration of aldoximes","Catal. Sci. Technol.","2015","","","","","10.1039/C5CY00413F","","","1.54184","CuKα","","0.0467","0.0407","","","0.092","0.0953","","","","","","1.068","","","","has coordinates","137018","2020-10-21","18:00:00",""
"1519764","10.7542","0.0004","11.2346","0.0006","13.4066","0.0006","90","","90","","90","","1619.77","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","","Wang, Chao; Zhang, Li; Chen, Changpeng; Han, Jian; Yao, Yingming; Zhao, Yingsheng","Oxalyl amide assisted palladium-catalyzed synthesis of pyrrolidones via carbonylation of γ-C(sp3)‒H bonds of aliphatic amine substrates","Chem. Sci.","2015","6","8","4610","","10.1039/C5SC00519A","","","0.71073","MoKα","","0.0536","0.0407","","","0.0827","0.0885","","","","","","1.015","","","","has coordinates","153083","2020-10-21","18:00:00",""
"1519773","10.9213","0.0008","11.8985","0.0007","14.892","0.0011","90","","90","","90","","1935.2","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br2 I N6 -","- C18 H12.99 Br2 I N6 -","- C72 H51.96 Br8 I4 N24 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.","C18H13Br2I1N6","Crystal Structure Report Archive","2006","","","255","","","","","0.71073","MoKα","","0.0498","0.0441","","","0.1264","0.1303","","","","","","1.102","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519779","12.113","0.005","16.307","0.006","19.257","0.008","90","","90","","90","","3804","3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 N Ni S4 -","- C40 H52 N Ni S4 -","- C160 H208 N4 Ni4 S16 -","4","1","","Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Male, Louise; Harrington, Ross; Clegg, Bill; Huth, Susanne L.; Hursthouse, Michael B.","C40H52N1Ni1S4","Crystal Structure Report Archive","2006","","","232","","","","","0.6905","synchrotron","","0.0679","0.0529","","","0.122","0.1317","","","","","","0.986","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519804","7.3989","0.0003","11.2007","0.0004","20.2402","0.0007","90","","90","","90","","1677.36","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C80 H72 N8 O16 -","8","2","","Huth, Susanne L.; Hursthouse, Michael B.","1-Methyl-1H-indole-6-carboxylic acid","Crystal Structure Report Archive","2007","","","368","","","","","0.71073","MoKα","","0.0678","0.0465","","","0.1091","0.1212","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519813","6.5384","0.0009","7.6439","0.001","18.418","0.003","90","","90","","90","","920.5","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Huth, Susanne L.; Hursthouse, Michael B.","(1-Methyl-3-phenyl-1H-pyrazol-5-yl)methanol","Crystal Structure Report Archive","2007","","","364","","","","","0.71073","MoKα","","0.1113","0.0608","","","0.1241","0.142","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519828","11.756","0.0004","15.6189","0.0003","18.4464","0.0006","90","","90","","90","","3387.05","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 F6 N2 O P -","- C13 H19 F6 N2 O P -","- C104 H152 F48 N16 O8 P8 -","8","2","","Tomkinson, N.; Coles, Simon J.; Hursthouse, Michael B.","5-Benzyl-2,2,3-trimethyl-imidazolidin-4-one","Crystal Structure Report Archive","2007","","","308","","","","","0.71073","MoKα","","0.1229","0.0549","","","0.1265","0.1542","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519865","7.2319","0.0001","11.072","0.0003","18.1646","0.0005","90","","90","","90","","1454.47","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O2 Si -","- C13 H21 N O2 Si -","- C52 H84 N4 O8 Si4 -","4","1","","Taylor, P. G.; Male, Louise; Hursthouse, Michael B.","C13H21NO2Si","Crystal Structure Report Archive","2007","","","331","","","","","0.71073","MoKα","","0.0492","0.0457","","","0.1094","0.1123","","","","","","1.261","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519868","4.951","0.0001","7.8949","0.0003","18.7417","0.0007","90","","90","","90","","732.57","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dihydrothieno[3,4-B][1,4]dioxin-5-ylmethanol","","- C7 H8 O3 S -","- C7 H8 O3 S -","- C28 H32 O12 S4 -","4","1","","Hursthouse, Michael B.; Huth, Susanne. L.; Withnell, J.","2,3-Dihydrothieno[3,4-B][1,4]dioxin-5-ylmethanol","Crystal Structure Report Archive","2007","","","264","","","","","0.71073","MoKα","","0.0358","0.0312","","","0.0657","0.0683","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519883","5.2557","0.0001","10.3241","0.0004","24.6007","0.0009","90","","90","","90","","1334.84","0.08","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Collins, Ian; Welford, Amanda; Horton, Peter N.; Callear, Samantha K.; Hursthouse, Michael B.","C15H22O3","Crystal Structure Report Archive","2008","","","622","","","","","0.71073","MoKα","","0.0479","0.0392","","","0.0847","0.0887","","","","","","1.054","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519888","3.8114","0.0004","11.336","0.0014","18.3264","0.0017","90","","90","","90","","791.81","0.15","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-cyanophenyl)acetamide","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C36 H32 N8 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(2-cyanophenyl)acetamide","Crystal Structure Report Archive","2008","","","1365","","","","","0.71073","MoKα","","0.0673","0.0557","","","0.1262","0.1319","","","","","","1.089","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519900","4.7667","0.0001","18.4984","0.0004","18.6318","0.0004","90","","90","","90","","1642.88","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(3-chlorophenyl)acetamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","2","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-chlorophenyl)acetamide","Crystal Structure Report Archive","2008","","","1379","","","","","0.71073","MoKα","","0.0401","0.0349","","","0.0843","0.0876","","","","","","1.069","","","","has coordinates","137233","2020-10-21","18:00:00",""
"1519933","7.107","0.005","12.527","0.005","30.468","0.011","90","","90","","90","","2713","2","","","290","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O2 -","","","8","2","","Utley, James H. P.; Elinson, Mikhail; Gullu, Mustafa; Ludwig, Ralf; Motevalli, Majid","Electro-organic Reactions. Part 49. The Synthesis and Stereoselective Electrochemical Hydroxylation of 2,3-Dihydro-4H-furo[2,3-d]pyrido[1,2- a]pyrimidin-4-ones","Acta Chemica Scandinavica","1999","53","","901","909","","","x-ray","0.71069","MoKα","","","0.0945","","","0.2423","","","","","","","","","","","","188978","2020-10-21","18:00:00",""
"1519948","6.0084","0.0008","8.1526","0.0013","9.6903","0.0013","90","","90","","90","","474.67","0.12","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Methylimidazole","","- C4 H6 N2 -","- C4 H6 N2 -","- C16 H24 N8 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","2-Methylimidazole - C4H6N2","Crystal Structure Report Archive","2008","","","549","","","","","0.71073","MoKα","","0.0728","0.0534","","","0.1264","0.1332","","","","","","1.196","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519949","8.1972","0.001","14.34","0.002","14.6661","0.0015","90","","90","","90","","1724","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-pyrrolidinone-5-carboxylic acid","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Callear, Samantha K.; Hursthouse, Michael B.","2-Pyrrolidinone-5-carboxylic acid","Crystal Structure Report Archive","2008","","","551","","","","","0.71073","MoKα","","0.1088","0.0518","","","0.0942","0.1118","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519959","5.0003","0.0003","5.9383","0.0002","19.9866","0.001","90","","90","","90","","593.47","0.05","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","D-Tartaric Acid","","- C4 H6 O6 -","- C4 H6 O6 -","- C16 H24 O24 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","D-Tartaric Acid - C4H4O4","Crystal Structure Report Archive","2008","","","553","","","","","0.71073","MoKα","","0.0504","0.0406","","","0.0817","0.0873","","","","","","1.087","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519987","7.0493","0.0004","11.3995","0.0005","16.4313","0.0009","90","","90","","90","","1320.39","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Toluidinium aniline-4-sulphonate","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C52 H64 N8 O12 S4 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Toluidinium aniline-4-sulphonate","Crystal Structure Report Archive","2008","","","573","","","","","0.71073","MoKα","","0.1076","0.0809","","","0.1607","0.1764","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1519998","7.0685","0.0016","15.143","0.003","17.388","0.004","90","","90","","90","","1861.2","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N0 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Annam, S Ch V Appa Rao; Ankireddy, Madhu; Sura, Madhu Babu; Ponnapalli, Mangala Gowri; Sarma, Akella V. S.; S, Jeelani Basha","Epimeric Excolides from the Stems of Excoecaria agallocha and Structural Revision of Rhizophorin A.","Organic letters","2015","17","11","2840","2843","10.1021/acs.orglett.5b01257","","","0.71073","MoKα","","0.0455","0.0395","","","0.0925","0.0961","","","","","","1.062","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520022","5.8119","0.0015","10.51","0.003","18.411","0.005","90","","90","","90","","1124.6","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Sai, Masahiro; Yamamoto, Hisashi","Chiral Brønsted Acid as a True Catalyst: Asymmetric Mukaiyama Aldol and Hosomi-Sakurai Allylation Reactions.","Journal of the American Chemical Society","2015","137","22","7091","7094","10.1021/jacs.5b04168","","","0.71075","MoKα","","","0.0613","","","","0.1186","","","","","","1.036","","","","has coordinates","140108","2020-10-21","18:00:00",""
"1520033","7.9622","0.0004","12.3209","0.0007","21.0198","0.0011","90","","90","","90","","2062.07","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 O P -","- C28 H23 O P -","- C112 H92 O4 P4 -","4","1","","Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M.","Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides","Catal. Sci. Technol.","2015","5","7","3822","","10.1039/C5CY00627A","","","0.71073","MoKα","","0.05","0.0407","","","0.1006","0.1058","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520051","5.9077","0.0007","7.4479","0.0009","21.752","0.003","90","","90","","90","","957.1","0.2","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4PAzP 170","4-pyridylazophenyl","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71075","MoKα","","0.0923","0.0496","","","0.1091","0.1285","","","","","","1.04","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520052","5.911","0.009","7.496","0.011","21.82","0.03","90","","90","","90","","967","2","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4PAzP 290","4-pyridylazophenyl","","- C11 H9 N3 -","- C11 H9 N3 -","- C44 H36 N12 -","4","1","","Hutchins, Kristin M.; Groeneman, Ryan H.; Reinheimer, Eric W.; Swenson, Dale C.; MacGillivray, Leonard R.","Achieving dynamic behaviour and thermal expansion in the organic solid state via co-crystallization","Chem. Sci.","2015","6","8","4717","","10.1039/C5SC00988J","","","0.71075","MoKα","","0.1081","0.0549","","","0.121","0.1439","","","","","","1.002","","","","has coordinates,has disorder","171452","2020-10-21","18:00:00",""
"1520069","10.9222","0.0005","11.7618","0.0005","17.7375","0.0008","90","","90","","90","","2278.64","0.18","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","wb11aug14",": (iPrPNMeP)FeCl2","","- C17 H39 Cl2 Fe N P2 -","- C17 H39 Cl2 Fe N P2 -","- C68 H156 Cl8 Fe4 N4 P8 -","4","1","","Zhang, Yuanyuan; MacIntosh, Alex D.; Wong, Janice L.; Bielinski, Elizabeth A.; Williard, Paul G.; Mercado, Brandon Q.; Hazari, Nilay; Bernskoetter, Wesley H.","Iron catalyzed CO2hydrogenation to formate enhanced by Lewis acid co-catalysts","Chem. Sci.","2015","6","7","4291","","10.1039/C5SC01467K","","","0.71073","","","0.0204","0.0185","","","0.0442","0.045","","","","","","1.004","","","","has coordinates","143362","2020-10-21","18:00:00",""
"1520112","6.33312","0.00018","12.6666","0.0003","25.6966","0.001","90","","90","","90","","2061.36","0.11","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N2 O4 -","- C22 H32 N2 O4 -","- C88 H128 N8 O16 -","4","1","","Zhang, Dong-Bo; Yu, Dao-Geng; Sun, Meng; Zhu, Xu-Xin; Yao, Xiao-Jun; Zhou, Shuang-Yan; Chen, Jian-Jun; Gao, Kun","Ervatamines A-I, Anti-inflammatory Monoterpenoid Indole Alkaloids with Diverse Skeletons from Ervatamia hainanensis.","Journal of natural products","2015","78","6","1253","1261","10.1021/acs.jnatprod.5b00051","","x-ray","1.54184","CuKα","","0.0595","0.0542","","","0.1452","0.1503","","","","","","1.096","","","","has coordinates","140133","2020-10-21","18:00:00",""
"1520138","10.0943","0.0008","15.9068","0.001","19.5472","0.0013","90","","90","","90","","3138.7","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 Cu N4 O3 -","- C36 H42 Cu N4 O3 -","- C144 H168 Cu4 N16 O12 -","4","1","","Faggi, Enrico; Gavara, Raquel; Bolte, Michael; Fajarí, Lluís; Juliá, Luís; Rodríguez, Laura; Alfonso, Ignacio","Copper(ii) complexes of macrocyclic and open-chain pseudopeptidic ligands: synthesis, characterization and interaction with dicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12700","12710","10.1039/c5dt01496d","","","0.71073","MoKα","","0.0439","0.0365","","","0.0799","0.0821","","","","","","1.002","","","","has coordinates","143677","2020-10-21","18:00:00",""
"1520140","9.6974","0.0001","13.2347","0.0002","17.3564","0.0002","90","","90","","90","","2227.56","0.05","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 F6 N2 O P -","- C22 H25 F6 N2 O P -","- C88 H100 F24 N8 O4 P4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Tomkinson, N.","C22H25N2OF6P","Crystal Structure Report Archive","2008","","","478","","","","","0.71073","MoKα","","0.0418","0.0362","","","0.0878","0.0911","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520145","9.7751","0.0003","12.8596","0.0004","16.8243","0.0004","90","","90","","90","","2114.88","0.11","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 B F4 N2 O -","- C22 H25 B F4 N2 O -","- C88 H100 B4 F16 N8 O4 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Horton, Peter N.; Tomkinson, N.","C22H25BF4N2O","Crystal Structure Report Archive","2008","","","536","","","","","0.71073","MoKα","","0.0557","0.0418","","","0.095","0.1029","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520155","7.5842","0.0014","8.2124","0.0016","32.363","0.006","90","","90","","90","","2015.7","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Tartaric Acid and 4-Methylimidazole","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C64 H96 N16 O48 -","8","2","","Callear, Samantha K.; Hursthouse, Michael B.","4-Methylimidazolium L-tartrate","Crystal Structure Report Archive","2008","","","525","","","","","0.671","synchrotron","","0.0372","0.0316","","","0.0756","0.0785","","","","","","1.108","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520174","7.711","0.0002","8.285","0.0004","13.844","0.0005","90","","90","","90","","884.43","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","maleic acid and 1-methylimidazole","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","Maleic acid + 1-methylimidazole","Crystal Structure Report Archive","2008","","","523","","","","","0.671","synchrotron","","0.0637","0.0627","","","0.1723","0.1728","","","","","","1.158","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520175","5.388","0.0013","9.921","0.003","18.265","0.005","90","","90","","90","","976.3","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-tartaric acid and 2-imidazolidinone","","- C7 H12 N2 O7 -","- C7 H12 N2 O7 -","- C28 H48 N8 O28 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","L-Tartaric acid 2-imidazolidinone","Crystal Structure Report Archive","2008","","","527","","","","","0.6895","synchrotron","","0.0322","0.0311","","","0.0814","0.0823","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520184","4.9076","0.0005","9.7504","0.0008","18.6116","0.0011","90","","90","","90","","890.58","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(3-iodophenyl)acetamide","","- C8 H8 I N O -","- C8 H8 I N O -","- C32 H32 I4 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(3-iodophenyl)acetamide","Crystal Structure Report Archive","2008","","","1376","","","","","0.71073","MoKα","","0.0518","0.0459","","","0.1187","0.1264","","","","","","1.1","","","","has coordinates","137631","2020-10-21","18:00:00",""
"1520190","5.1717","0.0008","9.7527","0.0013","17.811","0.002","90","","90","","90","","898.4","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[3-(trifluoromethyl)phenyl]acetamide","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-[3-(trifluoromethyl)phenyl]acetamide","Crystal Structure Report Archive","2008","","","1372","","","","","0.71073","MoKα","","0.1571","0.0823","","","0.1398","0.17","","","","","","1.128","","","","has coordinates,has disorder","137649","2020-10-21","18:00:00",""
"1520217","11.4867","0.0005","12.742","0.0005","20.9942","0.0009","90","","90","","90","","3072.8","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H38 N4 O6 -","- C33 H38 N4 O6 -","- C132 H152 N16 O24 -","4","1","","Dufour-Gallant, Julien; Chatenet, David; Lubell, William D.","De Novo Conception of Small Molecule Modulators Based on Endogenous Peptide Ligands: Pyrrolodiazepin-2-one γ-Turn Mimics That Differentially Modulate Urotensin II Receptor-Mediated Vasoconstriction ex Vivo.","Journal of medicinal chemistry","2015","58","11","4624","4637","10.1021/acs.jmedchem.5b00162","","","1.54178","CuKα","","0.0936","0.0876","","","0.2551","0.2597","","","","","","1.181","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520218","12.1222","0.0009","12.1222","0.0011","16.3859","0.0016","90","","90","","90","","2407.9","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","adametizine A","(3S,4S,7aS,8R,11R,11aR,12aR)-11-chloro-8,11a-dihydroxy-3-(2-hydroxy-3,4-dimethoxyphenyl)-14-methyl-3,4,7a,8,11a,12-hexahydro-4,12a-(epiminomethano)benzo[5,6][1,2]oxazino[3,2-c][1,2,4]dithiazepine-5,13(11H)-dione ?","","- C21 H27 Cl N2 O10 S2 -","- C21 H27 Cl N2 O10 S2 -","- C84 H108 Cl4 N8 O40 S8 -","4","1","","Liu, Yang; Li, Xiao-Ming; Meng, Ling-Hong; Jiang, Wen-Li; Xu, Gang-Ming; Huang, Cai-Guo; Wang, Bin-Gui","Bisthiodiketopiperazines and Acorane Sesquiterpenes Produced by the Marine-Derived Fungus Penicillium adametzioides AS-53 on Different Culture Media.","Journal of natural products","2015","78","6","1294","1299","10.1021/acs.jnatprod.5b00102","","","0.71073","MoKα","","0.0854","0.0431","","","0.082","0.1022","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520219","7.4701","0.0009","9.9307","0.0015","24.744","0.004","90","","90","","90","","1835.6","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Corlay, Nina; Lecsö-Bornet, Marylin; Leborgne, Erell; Blanchard, Florent; Cachet, Xavier; Bignon, Jérôme; Roussi, Fanny; Butel, Marie-Jose; Awang, Khalijah; Litaudon, Marc","Antibacterial Labdane Diterpenoids from Vitex vestita.","Journal of natural products","2015","78","6","1348","1356","10.1021/acs.jnatprod.5b00206","","","1.54187","CuKα","","0.1544","0.0837","","","0.1988","0.2467","","","","","","0.975","","","","has coordinates","154672","2020-10-21","18:00:00",""
"1520262","6.702","0.003","11.902","0.006","18.892","0.004","90","","90","","90","","1507","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O4 S -","- C14 H18 N2 O4 S -","- C56 H72 N8 O16 S4 -","4","1","","Areias, L. R. P.; Ruivo, E. F. P.; Gonçalves, L. M.; Duarte, M. T.; André, V.; Moreira, R.; Lucas, S. D.; Guedes, R. C.","A unified approach toward the rational design of selective low nanomolar human neutrophil elastase inhibitors","RSC Advances","2015","5","64","51717","51721","10.1039/C5RA07783D","","","0.71069","MoKα","","0.0554","0.0416","","","0.0948","0.1007","","","","","","1.038","","","","has coordinates","282777","2023-04-20","11:56:43",""
"1520280","9.7683","0.0002","13.0654","0.0002","16.8119","0.0004","90","","90","","90","","2145.65","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Cl N2 O5 -","- C22 H25 Cl N2 O5 -","- C88 H100 Cl4 N8 O20 -","4","1","","Hursthouse, Michael B.; Coles, Simon J.; Tomkinson, N.","C22H25ClN2O5","Crystal Structure Report Archive","2008","","","423","","","","","0.71073","MoKα","","0.049","0.0418","","","0.1007","0.1051","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520286","5.7992","0.0006","12.0419","0.001","20.795","0.002","90","","90","","90","","1452.2","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Collins, Ian; Welford, Amanda; Tizzard, Graham J.; Hursthouse, Michael B.; Lamond, Steven J.","C17H24O3","Crystal Structure Report Archive","2009","","","1228","","","","","0.71073","MoKα","","0.1277","0.1016","","","0.2538","0.267","","","","","","1.15","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520299","5.7232","0.0004","10.8546","0.001","32.913","0.002","90","","90","","90","","2044.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 I O3 -","- C22 H23 I O3 -","- C88 H92 I4 O12 -","4","1","","Merad, Jérémy; Borkar, Prashant; Bouyon Yenda, Tracy; Roux, Christèle; Pons, Jean-Marc; Parrain, Jean-Luc; Chuzel, Olivier; Bressy, Cyril","Highly Enantioselective Acylation of Acyclic Meso 1,3-Diols through Synergistic Isothiourea-Catalyzed Desymmetrization/Chiroablative Kinetic Resolution.","Organic letters","2015","17","9","2118","2121","10.1021/acs.orglett.5b00707","","x-ray","1.54184","CuKα","","0.0749","0.0594","","","0.1674","0.1916","","","","","","1.125","","","","has coordinates","204128","2020-10-21","18:00:00",""
"1520304","15.592","0.0006","20.5827","0.0003","60.065","0.0012","90","","90","","90","","19276.4","0.9","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66.33 H81.67 N2 O4 Yb -","- C66.3333 H81.6667 N2 O4 Yb -","- C796 H980 N24 O48 Yb12 -","12","3","","Zeng, Chao; Yuan, Dan; Zhao, Bei; Yao, Yingming","Highly Enantioselective Epoxidation of α,β-Unsaturated Ketones Catalyzed by Rare-Earth Amides [(Me3Si)2N]3RE(μ-Cl)Li(THF)3 with Phenoxy-Functionalized Chiral Prolinols.","Organic letters","2015","17","9","2242","2245","10.1021/acs.orglett.5b00833","","","1.54184","CuKα","","0.0944","0.071","","","0.1658","0.1855","","","","","","1.002","","","","has coordinates,has disorder","138031","2020-10-21","18:00:00",""
"1520333","14.3298","0.0005","14.476","0.0005","23.9774","0.0009","90","","90","","90","","4973.8","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H81 N3 Nd O12 P3 -","- C36 H81 N3 Nd O12 P3 -","- C144 H324 N12 Nd4 O48 P12 -","4","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81N3NdO12P3","Crystal Structure Report Archive","2009","","","1239","","","","","0.71073","MoKα","","0.0798","0.0789","","","0.1834","0.1839","","","","","","1.1","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520334","14.3481","0.0009","14.4845","0.0009","23.9651","0.0015","90","","90","","90","","4980.5","0.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H81 N3 O12 P3 Pr -","- C36 H81 N3 O12 P3 Pr -","- C144 H324 N12 O48 P12 Pr4 -","4","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81N3O12P3Pr","Crystal Structure Report Archive","2009","","","1240","","","","","0.71073","MoKα","","0.0789","0.0781","","","0.1908","0.1911","","","","","","1.28","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520335","14.3658","0.0007","14.5103","0.0007","23.9483","0.0008","90","","90","","90","","4992.1","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H81 Ce N3 O12 P3 -","- C36 H81 Ce N3 O12 P3 -","- C144 H324 Ce4 N12 O48 P12 -","4","1","","Platt, Andrew; Horton, Peter N.; Hursthouse, Michael B.","C36H81CeN3O12P3","Crystal Structure Report Archive","2009","","","1241","","","","","0.71073","MoKα","","0.1026","0.083","","","0.1465","0.1528","","","","","","1.197","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1520338","10.5375","0.0007","15.9336","0.0012","31.372","0.002","90","","90","","90","","5267.4","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 O5 Si -","- C28 H36 O5 Si -","- C224 H288 O40 Si8 -","8","2","","Tizzard, Graham J.; Collins, Ian; Welford, Amanda; Hursthouse, Michael B.","(3aR,4aR,7S, 7aS, 8aS)-7-(tert-Butyl-diphenyl-silanyloxymethyl)-2,2-dimethyl- hexahydro-furo[3',4':4,5]benzo[1,2-d][1,3]dioxol-5-one","Crystal Structure Report Archive","2009","","","870","","","","","0.71073","MoKα","","0.0948","0.0791","","","0.1479","0.1543","","","","","","1.195","","","","has coordinates","138333","2020-10-21","18:00:00",""
"1520345","8.3288","0.0002","9.0098","0.0003","25.4028","0.0008","90","","90","","90","","1906.25","0.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O11 -","- C16 H22 O11 -","- C64 H88 O44 -","4","1","","Croft, Anna K.; Tizzard, Graham J.; Hursthouse, Michael B.","Acetic acid 2,4,5-triacetoxy-6-acetoxymethyl-tetrahydro-pyran-3-yl ester","Crystal Structure Report Archive","2009","","","853","","","","","0.71073","MoKα","","0.0532","0.0445","","","0.0854","0.0903","","","","","","1.121","","","","has coordinates","138348","2020-10-21","18:00:00",""
"1520347","4.755","0.0001","12.4624","0.0003","24.784","0.0007","90","","90","","90","","1468.67","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O8 -","- C14 H17 N O8 -","- C56 H68 N4 O32 -","4","1","","Tizzard, Graham J.; Hursthouse, Michael B.; Croft, Anna K.","N-((2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)- phthalamic acid","Crystal Structure Report Archive","2009","","","871","","","","","0.71073","MoKα","","0.0618","0.0492","","","0.0863","0.0923","","","","","","1.099","","","","has coordinates","138350","2020-10-21","18:00:00",""
"1520348","9.3572","0.0001","11.0999","0.0002","25.9334","0.0005","90","","90","","90","","2693.55","0.08","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O15 -","- C24 H32 O15 -","- C96 H128 O60 -","4","1","","Tizzard, Graham J.; Hursthouse, Michael B.; Croft, Anna K.","Acetic acid (2R,3S,4R,5S,6S)-3,4,5-triacetoxy-6-((2S,4R)-4-acetoxy-2- acetoxymethyl-oxepan-3-ylmethyl)-tetrahydro-pyran-2-ylmethyl ester","Crystal Structure Report Archive","2009","","","872","","","","","0.71073","MoKα","","0.0588","0.0467","","","0.084","0.0897","","","","","","1.152","","","","has coordinates","138351","2020-10-21","18:00:00",""
"1520351","6.9529","0.0001","11.462","0.0003","15.7644","0.0005","90","","90","","90","","1256.33","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 I N -","- C12 H16 I N -","- C48 H64 I4 N4 -","4","1","","Holliman, Peter J.; Horton, Peter N.; Hursthouse, Michael B.","C12H16IN","Crystal Structure Report Archive","2009","","","1249","","","","","0.71073","MoKα","","0.0282","0.0261","","","0.0509","0.052","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520388","8.6008","0.0011","10.6881","0.0012","18.1","0.003","90","","90","","90","","1663.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Battini, Narsaiah; Battula, Satyanarayana; Kumar, Raju Ranjith; Ahmed, Qazi Naveed","2-Oxo Driven Unconventional reactions: Microwave Assisted Approaches to Tetrahydrofuro[3,2-d]oxazoles and Furanones.","Organic letters","2015","17","12","2992","2995","10.1021/acs.orglett.5b01271","","","0.71073","MoKα","","0.0697","0.0468","","","0.1004","0.1151","","","","","","1.036","","","","has coordinates","154780","2020-10-21","18:00:00",""
"1520389","9.576","0.003","13.43","0.004","26.522","0.008","90","","90","","90","","3410.9","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 N2 O5 -","- C36 H53 N2 O5 -","- C144 H212 N8 O20 -","4","1","","Takemoto, Yusa; Yamamoto, Takayuki; Ikuma, Naohiko; Uchida, Yoshiaki; Suzuki, Katsuaki; Shimono, Satoshi; Takahashi, Hiroki; Sato, Nobuhiro; Oba, Yojiro; Inoue, Rintaro; Sugiyama, Masaaki; Tsue, Hirohito; Kato, Tatsuhisa; Yamauchi, Jun; Tamura, Rui","Preparation, characterization and magnetic behavior of a spin-labelled physical hydrogel containing a chiral cyclic nitroxide radical unit fixed inside the gelator molecule.","Soft matter","2015","11","27","5563","5570","10.1039/c5sm01216c","","","0.71075","MoKα","","0.1132","0.0822","","","0.1262","0.1397","","","","","","1.095","","","","has coordinates","143772","2020-10-21","18:00:00",""
"1520393","8.9301","0.0002","10.8793","0.0002","23.2605","0.0004","90","","90","","90","","2259.83","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 I2 N4 O2 -","- C18 H28 I2 N4 O2 -","- C72 H112 I8 N16 O8 -","4","1","","Dervisi, A.; Callear, Samantha K.; Hursthouse, Michael B.","C18H28I2N4O2","Crystal Structure Report Archive","2009","","","658","","","","","0.71073","MoKα","","0.0374","0.0313","","","0.0689","0.0723","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520411","6.1453","0.0002","7.8485","0.0002","27.6153","0.0008","90","","90","","90","","1331.92","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F N4 O -","- C15 H15 F N4 O -","- C60 H60 F4 N16 O4 -","4","1","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C15H15FN4O","Crystal Structure Report Archive","2009","","","635","","","","","0.71073","MoKα","","0.055","0.0467","","","0.0887","0.0938","","","","","","1.175","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520422","8.1593","0.0004","15.423","0.0008","22.8878","0.0009","90","","90","","90","","2880.2","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O2 S -","- C15 H17 N3 O2 S -","- C120 H136 N24 O16 S8 -","8","2","","Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B.","C15H17N3O2S","Crystal Structure Report Archive","2009","","","629","","","","","0.71073","MoKα","","0.1567","0.0724","","","0.1283","0.1584","","","","","","0.99","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520424","3.8043","0.0011","12.987","0.004","14.401","0.003","90","","90","","90","","711.5","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-methyl-3-nitroaniline","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.","2-methyl-3-nitroaniline","Crystal Structure Report Archive","2009","","","632","","","","","0.71073","MoKα","","0.2282","0.1223","","","0.1605","0.196","","","","","","1.158","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520433","7.5138","0.0005","9.3146","0.0007","12.8999","0.0011","90","","90","","90","","902.84","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(4-acetylphenyl)acetamide","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.","N-(4-acetylphenyl)acetamide","Crystal Structure Report Archive","2009","","","1399","","","","","0.71073","MoKα","","0.1192","0.0785","","","0.1377","0.1537","","","","","","1.162","","","","has coordinates,has disorder","138927","2020-10-21","18:00:00",""
"1520456","9.1964","0.001","13.4028","0.0016","15.611","0.0017","90","","90","","90","","1924.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br F3 N O2 -","- C21 H17 Br F3 N O2 -","- C84 H68 Br4 F12 N4 O8 -","4","1","","Zhang, Xiao; Liu, Wen-Bo; Tu, Hang-Fei; You, Shu-Li","Ligand-enabled Ir-catalyzed intermolecular diastereoselective and enantioselective allylic alkylation of 3-substituted indoles","Chem. Sci.","2015","6","8","4525","","10.1039/C5SC01772F","","","0.71073","MoKα","","0.0963","0.0419","","","0.0797","0.0953","","","","","","0.946","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520476","6.5932","0.0003","7.409","0.0005","21.4824","0.0015","90","","90","","90","","1049.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H0 F3 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Threlfall, T.; Tizzard, G.; Ling, S.; Coles, S.","(E)-2,3,4-trifluoro-N-(4-fluorobenzylidene)aniline","Crystal Structure Report Archive","2010","","","1428","","","","","0.71073","MoKα","","0.0676","0.0471","","","0.1392","0.1738","","","","","","0.685","","","","has coordinates","138997","2020-10-21","18:00:00",""
"1520480","6.2066","0.0003","7.7799","0.0004","21.3938","0.0011","90","","90","","90","","1033.04","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H0 F3 N -","- C13 H8 F3 N -","- C52 H32 F12 N4 -","4","1","","Tizzard, G.; Threlfall, T.; Ling, S.; Coles, S.","(E)-3,5-difluoro-N-(4-fluorobenzylidene)aniline","Crystal Structure Report Archive","2010","","","1423","","","","","0.71073","MoKα","","0.0658","0.0551","","","0.1515","0.1655","","","","","","0.836","","","","has coordinates","139001","2020-10-21","18:00:00",""
"1520517","8.4903","0.001","9.6656","0.0011","18.663","0.002","90","","90","","90","","1531.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F O -","- C19 H19 F O -","- C76 H76 F4 O4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh; Lu, Yi-Ju","Synthesis of Substituted Benzenes via Bi(OTf)3-Mediated Intramolecular Carbonyl Allylation of α-Prenyl or α-Geranyl β-Arylketosulfones.","Organic letters","2015","17","12","3142","3145","10.1021/acs.orglett.5b01461","","","0.71073","MoKα","","0.0455","0.0346","","","0.0738","0.0781","","","","","","1.034","","","","has coordinates","140267","2020-10-21","18:00:00",""
"1520519","7.9023","0.0018","12.49","0.003","12.9","0.003","90","","90","","90","","1273.2","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl N O4 -","- C13 H12 Cl N O4 -","- C52 H48 Cl4 N4 O16 -","4","1","","Sekikawa, Tohru; Kitaguchi, Takayuki; Kitaura, Hayato; Minami, Tatsuya; Hatanaka, Yasuo","Catalytic Activity of epi-Quinine-Derived 3,5-Bis(trifluoromethyl)benzamide in Asymmetric Nitro-Michael Reaction of Furanones.","Organic letters","2015","17","12","3026","3029","10.1021/acs.orglett.5b01224","","","0.7107","MoKα","","0.0474","0.0431","","","0.0847","0.0865","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520543","8.3781","0.0002","14.3827","0.0002","19.3153","0.0003","90","","90","","90","","2327.49","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Au Br F3 P -","- C25 H20 Au Br F3 P -","- C100 H80 Au4 Br4 F12 P4 -","4","1","","Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil","A hexanuclear gold carbonyl cluster","Chem. Sci.","2015","6","10","5506","","10.1039/C5SC01578B","","","0.71073","MoKα","","0.0253","0.0234","","","0.0542","0.0549","","","","","","1.062","","","","has coordinates","170928","2020-10-21","18:00:00",""
"1520564","11.3045","0.0007","12.1357","0.0007","37.187","0.002","90","","90","","90","","5101.6","0.5","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H58 F6 O14 S2 -","- C51 H58 F6 O14 S2 -","- C204 H232 F24 O56 S8 -","4","1","","Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser","Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives.","Organic letters","2015","17","13","3260","3263","10.1021/acs.orglett.5b01418","","","0.71073","MoKα","","0.0713","0.0536","","","0.123","0.1318","","","","","","1.047","","","","has coordinates","140261","2020-10-21","18:00:00",""
"1520567","6.602","0.002","9.205","0.002","21.832","0.006","90","","90","","90","","1326.8","0.6","","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O4 -","","","4","1","","Reufer, Christian; Zielinski, Claudia; Schafer, Hans Jurgen; Frolich, Roland","Electro-organic Synthesis 68. Diastereoselective Cathodic Reduction of Phenylglyoxylic Acid Attached to Chiral Auxiliaries","Acta Chemica Scandinavica","1999","53","","1023","1037","10.3891/acta.chem.scand.53-1023","","x-ray","1.54178","CuKα","","","0.053","","","0.115","","","","","","","","","","","","175419","2020-10-21","18:00:00",""
"1520573","6.1669","0.0002","12.182","0.0003","17.8605","0.0006","90","","90","","90","","1341.77","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,5-dimethyl-2-phenyl-4-(thiophen-2-yl)pyridine","","- C17 H15 N S -","- C17 H15 N S -","- C68 H60 N4 S4 -","4","1","","Hardegger, Leo A.; Habegger, Jacqueline; Donohoe, Timothy J.","Modular Synthesis of Highly Substituted Pyridines via Enolate α-Alkenylation.","Organic letters","2015","17","13","3222","3225","10.1021/acs.orglett.5b01312","","","1.5418","CuKα","","0.0368","0.0339","","0.088","0.0854","0.088","","","","","","0.9323","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520577","10.1756","0.0004","12.2477","0.0005","13.4918","0.0006","90","","90","","90","","1681.45","0.12","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Teotihuacanin","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Bautista, Elihú; Fragoso-Serrano, Mabel; Toscano, Rubén A; García-Peña, María Del Rosario; Ortega, Alfredo","Teotihuacanin, a Diterpene with an Unusual Spiro-10/6 System from Salvia amarissima with Potent Modulatory Activity of Multidrug Resistance in Cancer Cells.","Organic letters","2015","17","13","3280","3282","10.1021/acs.orglett.5b01320","","","1.54178","CuKα","","0.0525","0.0421","","","0.1006","0.1066","","","","","","1.062","","","","has coordinates","141399","2020-10-21","18:00:00",""
"1520582","8.0191","0.0002","13.4769","0.0003","25.379","0.0008","90","","90","","90","","2742.77","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Al N2 O3 -","- C29 H41 Al N2 O3 -","- C116 H164 Al4 N8 O12 -","4","1","","Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.","Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide","Chem. Sci.","2015","6","8","5034","","10.1039/C5SC01819F","","x-ray","0.71073","MoKα","","0.0442","0.0388","","","0.0923","0.0945","","","","","","1.055","","","","has coordinates,has disorder","153075","2020-10-21","18:00:00",""
"1520596","8.7961","0.0004","9.7026","0.0005","35.0914","0.0018","90","","90","","90","","2994.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","EM07-137C","sarpong107","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C104 H116 N12 O12 -","4","1","","Mercado-Marin, Eduardo V; Sarpong, Richmond","Unified Approach to Prenylated Indole Alkaloids: Total Syntheses of (-)-17-Hydroxy-Citrinalin B, (+)-Stephacidin A, and (+)-Notoamide I.","Chemical science (Royal Society of Chemistry : 2010)","2015","6","8","5048","5052","10.1039/C5SC01977J","","","1.54178","CuKα","","0.066","0.0628","","","0.1563","0.1589","","","","","","1.055","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1520597","9.3918","0.0009","13.5329","0.0015","51.624","0.005","90","","90","","90","","6561.3","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C320 H240 Cl20 N20 O20 -","20","5","","Pedroni, J.; Saget, T.; Donets, P. A.; Cramer, N.","Enantioselective palladium(0)-catalyzed intramolecular cyclopropane functionalization: access to dihydroquinolones, dihydroisoquinolones and the BMS-791325 ring system","Chem. Sci.","2015","6","9","5164","","10.1039/C5SC01909E","","","0.71073","MoKα","","0.0373","0.0329","","","0.0669","0.0693","","","","","","1.161","","","","has coordinates","171001","2020-10-21","18:00:00",""
"1520610","9.6166","0.0004","16.119","0.001","19.445","0.001","90","","90","","90","","3014.2","0.3","","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Cl Cr N6 O9 -","- C26 Cl Cr N6 O9 -","- C104 Cl4 Cr4 N24 O36 -","4","1","","Eriksen, J.; Goodson, P.; Hazell, A.; Hodgson, D. J.; Michelsen, K.; Monsted, O.; Rasmussen, J. C.; Toftlund, H.","Chromium(III) Complexes of the Hexadentate Ligand N,N,N',N'- Tetrakis(2-pyridylmethyl)ethane-1,2-diamine. Synthesis, Structure and Reactivity","Acta Chemica Scandinavica","1999","53","","1083","1092","10.3891/acta.chem.scand.53-1083","","x-ray","0.71069","MoKα","","","0.034","","","0.04","","","","","","","2.077","","","","has coordinates","139405","2020-10-21","18:00:00",""
"1520612","9.4933","0.0018","11.2461","0.0019","24.486","0.004","90","","90","","90","","2614.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-ethyl (1-((4-((4-fluorobenzyl)carbamoyl)-1-methyl-2-(2-(5-methyl-1,3,4- oxadiazole-2-carboxamido)propan-2-yl)-6-oxo-1,6-dihydropyrimidin-5-yl) oxy)ethyl)","","- C25 H29 F N6 O8 -","- C25 H29 F N6 O8 -","- C100 H116 F4 N24 O32 -","4","1","","Tsou, Nancy; Shultz, C. Scott; Andreani, Teresa; Ball, Richard G.; Brunskill, Andrew; Balsells, Jaume; Cohen, Ryan D.; DaSilva, Jimmy; Li, Jing; Reamer, Robert A.; de Lera Ruiz, Manuel; Variankaval, Narayan; Varsolona, Richard J.; Yasuda, Nobuyoshi; York, Gregory","Careful Navigation of the Crystallographic Landscape of MK-8970: A Racemic Acetal Carbonate Prodrug of Raltegravir","Organic Process Research & Development","2015","19","12","1882","","10.1021/acs.oprd.5b00129","","","1.54178","CuKα","","0.0387","0.0324","","","0.0745","0.0773","","","","","","1.026","","","","has coordinates","173602","2020-10-21","18:00:00",""
"1520625","10.6859","0.0001","12.6528","0.0001","34.797","0.0003","90","","90","","90","","4704.78","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H64 F N O4 -","- C56 H64 F N O4 -","- C224 H256 F4 N4 O16 -","4","1","","Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique","Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity","Chem. Sci.","2015","6","9","5293","","10.1039/C5SC01812A","","","1.5418","CuKα","","0.0272","0.0263","","0.067","0.0662","0.067","","","","","","0.9641","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520635","7.37176","0.00017","14.7771","0.0003","21.8173","0.0005","90","","90","","90","","2376.63","0.09","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O3 -","- C30 H29 N O3 -","- C120 H116 N4 O12 -","4","1","","Majumdar, Nilanjana; Saito, Akira; Yin, Liang; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Conjugate Addition of Saturated and Unsaturated Thioamides.","Organic letters","2015","17","13","3362","3365","10.1021/acs.orglett.5b01644","","","1.54187","CuKα","","0.0411","0.0358","","","0.0821","0.0848","","","","","","1.081","","","","has coordinates","140263","2020-10-21","18:00:00",""
"1520640","6.0633","0.0002","11.5428","0.0004","42.4729","0.0015","90","","90","","90","","2972.57","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 N2 O4 S -","- C35 H32 N2 O4 S -","- C140 H128 N8 O16 S4 -","4","1","","Wang, Yidong; Zhang, Peichao; Liu, Yuan; Xia, Fei; Zhang, Junliang","Enantioselective gold-catalyzed intermolecular [2+2] versus [4+2]-cycloadditions of 3-styrylindoles with N-allenamides: observation of interesting substituent effects","Chem. Sci.","2015","6","10","5564","","10.1039/C5SC01827G","","","0.71073","MoKα","","0.0457","0.0369","","","0.0819","0.0867","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520658","5.8624","0.0001","9.6327","0.0002","31.868","0.0006","90","","90","","90","","1799.61","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C76 H80 N8 O24 -","4","1","","Chen, Shi; Ibrahim, Ahmad A.; Mondal, Mukulesh; Magee, Anthony J.; Cruz, Adam J.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Asymmetric Synthesis of Deoxypropionate Derivatives via Catalytic Hydrogenolysis of Enantioenriched Z-Ketene Heterodimers.","Organic letters","2015","17","13","3248","3251","10.1021/acs.orglett.5b01391","","","1.54178","CuKα","","0.0476","0.04","","","0.0965","0.1003","","","","","","1.056","","","","has coordinates","152907","2020-10-21","18:00:00",""
"1520672","6.1491","0.0005","8.0979","0.0005","20.2092","0.0014","90","","90","","90","","1006.31","0.12","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Shi, Yu-Sheng; Liu, Yun-Bao; Ma, Shuang-Gang; Li, Yong; Qu, Jing; Li, Li; Yuan, Shao-Peng; Hou, Qi; Li, Yu-Huan; Jiang, Jian-Dong; Yu, Shi-Shan","Bioactive Sesquiterpenes and Lignans from the Fruits of Xanthium sibiricum.","Journal of natural products","2015","78","7","1526","1535","10.1021/np500951s","","","1.54184","CuKα","","0.0479","0.0448","","","0.1096","0.1139","","","","","","1.055","","","","has coordinates","154671","2020-10-21","18:00:00",""
"1520673","7.587","0.0015","9.6985","0.0019","25.106","0.005","90","","90","","90","","1847.4","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Xu, Jing; Sun, Yihang; Wang, Meicheng; Ren, Quanhui; Li, Shen; Wang, Hao; Sun, Xiaocong; Jin, Da-Qing; Sun, Hongwei; Ohizumi, Yasushi; Guo, Yuanqiang","Bioactive Diterpenoids from the Leaves of Callicarpa macrophylla.","Journal of natural products","2015","78","7","1563","1569","10.1021/acs.jnatprod.5b00018","","","0.71073","MoKα","","0.0753","0.0611","","","0.1745","0.1842","","","","","","1.072","","","","has coordinates","152864","2020-10-21","18:00:00",""
"1520695","9.7022","0.0003","14.1065","0.0005","22.5755","0.0007","90","","90","","90","","3089.78","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rzg1463cb","","","- C41 H29 N2 O -","- C41 H29 N2 O -","- C164 H116 N8 O4 -","4","1","","Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C.","RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes","Chem. Sci.","2015","6","10","5802","","10.1039/C5SC01885D","","","0.71073","","","0.0886","0.0461","","","0.1103","0.1398","","","","","","1.013","","","","has coordinates","170929","2020-10-21","18:00:00",""
"1520707","8.7215","0.0006","11.3257","0.0008","19.217","0.001","90","","90","","90","","1898.2","0.2","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O8 -","- C20 H23 N O8 -","- C80 H92 N4 O32 -","4","1","","Paladino, Marco; Zaifman, Joshua; Ciufolini, Marco A.","Total Synthesis of (+)-3-Demethoxyerythratidinone and (+)-Erysotramidine via the Oxidative Amidation of a Phenol.","Organic letters","2015","17","14","3422","3425","10.1021/acs.orglett.5b01423","","","1.54178","CuKα","","0.0277","0.0269","","","0.0672","0.068","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520722","7.0352","0.0001","9.6018","0.0001","26.5701","0.0003","90","","90","","90","","1794.83","0.04","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Wang, Li-Jun; Xiong, Juan; Liu, Shu-Ting; Pan, Li-Long; Yang, Guo-Xun; Hu, Jin-Feng","ent-Abietane-Type and Related Seco-/Nor-diterpenoids from the Rare Chloranthaceae Plant Chloranthus sessilifolius and Their Antineuroinflammatory Activities.","Journal of natural products","2015","78","7","1635","1646","10.1021/acs.jnatprod.5b00195","","","1.54178","CuKα","","0.0417","0.0412","","","0.1077","0.1084","","","","","","1.032","","","","has coordinates","152862","2020-10-21","18:00:00",""
"1520730","9.061","0.002","13.872","0.004","25.894","0.005","90","","90","","90","","3254.7","1.3","","","105","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 Br5 N3 Se -","- C27 Br5 N3 Se -","- C108 Br20 N12 Se4 -","4","1","","Hauge, Sverre; Janickis, Vitalijus; Maroy, Kjartan","Crystal Structures of Phenyltrimethylammonium Salts of Tetrabromoselenate(II) Bromide, [C6H5(CH3)3N]2[SeBr4].[C6H5(CH3)3N]Br and a Mixed Tetra(bromo/chloro)selenate(II).","Acta Chemica Scandinavica","1998","52","","441","444","10.3891/acta.chem.scand.52-0441","","x-ray","0.71069","MoKα","","","0.0391","","","0.0775","","","","","","","1.181","","","","has coordinates","139909","2020-10-21","18:00:00",""
"1520731","8.998","0.002","13.787","0.003","25.57","0.005","90","","90","","90","","3172.1","1.2","","","112","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 Br2.9 Cl2.1 N3 Se -","- C27 Br2.88 Cl2.12 N3 Se -","- C108 Br11.52 Cl8.48 N12 Se4 -","4","1","","Hauge, Sverre; Janickis, Vitalijus; Maroy, Kjartan","Crystal Structures of Phenyltrimethylammonium Salts of Tetrabromoselenate(II) Bromide, [C6H5(CH3)3N]2[SeBr4].[C6H5(CH3)3N]Br and a Mixed Tetra(bromo/chloro)selenate(II).","Acta Chemica Scandinavica","1998","52","","441","444","10.3891/acta.chem.scand.52-0441","","x-ray","0.71069","MoKα","","","0.0678","","","0.0979","","","","","","","0.995","","","","has coordinates","139910","2020-10-21","18:00:00",""
"1520734","7.9518","0.0014","12.143","0.002","14.869","0.002","90","","90","","90","","1435.7","0.4","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 N2 O3 -","- C15 H24 N2 O3 -","- C60 H96 N8 O12 -","4","1","","Pan, Qi-Ming; Li, Yu-Huan; Hua, Jing; Huang, Fu-Ping; Wang, Heng-Shan; Liang, Dong","Antiviral Matrine-Type Alkaloids from the Rhizomes of Sophora tonkinensis.","Journal of natural products","2015","78","7","1683","1688","10.1021/acs.jnatprod.5b00325","","","1.54178","CuKα","","0.0773","0.0351","","","0.0794","0.0859","","","","","","1.094","","","","has coordinates","152863","2020-10-21","18:00:00",""
"1520735","9.052","0.003","10.577","0.003","14.128","0.004","90","","90","","90","","1352.7","0.7","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","","Pan, Qi-Ming; Li, Yu-Huan; Hua, Jing; Huang, Fu-Ping; Wang, Heng-Shan; Liang, Dong","Antiviral Matrine-Type Alkaloids from the Rhizomes of Sophora tonkinensis.","Journal of natural products","2015","78","7","1683","1688","10.1021/acs.jnatprod.5b00325","","","1.54184","CuKα","","0.0308","0.0301","","","0.0763","0.0771","","","","","","1.125","","","","has coordinates","152863","2020-10-21","18:00:00",""
"1520736","7.2412","0.0003","10.1066","0.0004","19.681","0.0008","90","","90","","90","","1440.33","0.1","100","2","100","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O S -","- C16 H16 N2 O S -","- C64 H64 N8 O4 S4 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0238","0.0228","","","0.063","0.0634","","","","","","1.038","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1520737","7.1805","0.0001","9.8395","0.0001","19.6096","0.0003","90","","90","","90","","1385.47","0.03","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O S2 -","- C14 H14 N2 O S2 -","- C56 H56 N8 O4 S8 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0223","0.0213","","","0.0607","0.0611","","","","","","1.046","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1520738","10.0568","0.0007","14.9314","0.0011","16.7695","0.0012","90","","90","","90","","2518.1","0.3","100","2","100","2","","","","","","","as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl2 N3 O Ru S -","- C24 H25 Cl2 N3 O Ru S -","- C96 H100 Cl8 N12 O4 Ru4 S4 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0543","0.0498","","","0.1258","0.1284","","","","","","1.065","","","","has coordinates,has disorder","170918","2020-10-21","18:00:00",""
"1520739","6.6174","0.0001","17.1016","0.0003","19.4048","0.0004","90","","90","","90","","2196","0.07","100","2","100","2","","","","","","","as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 O Ru S2 -","- C20 H20 Cl2 N2 O Ru S2 -","- C80 H80 Cl8 N8 O4 Ru4 S8 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0198","0.0177","","","0.0438","0.0443","","","","","","1.049","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1520740","6.503","0.0001","10.2867","0.0001","31.8305","0.0004","90","","90","","90","","2129.28","0.05","100","2","100","2","","","","","","","as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 O2 Ru S -","- C20 H20 Cl2 N2 O2 Ru S -","- C80 H80 Cl8 N8 O8 Ru4 S4 -","4","1","","Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy","Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies","Catal. Sci. Technol.","2015","5","10","4790","","10.1039/C5CY00774G","","x-ray","0.71073","MoKα","","0.0155","0.0148","","","0.0375","0.0376","","","","","","1.058","","","","has coordinates","170918","2020-10-21","18:00:00",""
"1520756","7.702","0.0001","13.1321","0.0002","27.4999","0.0019","90","","90","","90","","2781.4","0.2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 O4 Si2 -","- C28 H44 O4 Si2 -","- C112 H176 O16 Si8 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Luo, Tuoping; Yang, Zhen","Synthetic Progress toward Azadirachtins. 1. Enantio- and Diastereoselective Synthesis of the Left-Wing Fragment of 11-epi-Azadirachtin I.","Organic letters","2015","17","10","2342","2345","10.1021/acs.orglett.5b00829","","","1.54178","CuKα","","0.0375","0.0326","","","0.0727","0.0861","","","","","","1.143","","","","has coordinates","140044","2020-10-21","18:00:00",""
"1520760","8.1087","0.0006","11.9482","0.0009","20.232","0.0015","90","","90","","90","","1960.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O3 -","- C22 H36 O3 -","- C88 H144 O12 -","4","1","","Cheng, Shou-Ling; Jiang, Xiao-Ling; Shi, Yong; Tian, Wei-Sheng","Concise synthesis of the core structures of saundersiosides.","Organic letters","2015","17","10","2346","2349","10.1021/acs.orglett.5b00821","","","0.71073","MoKα","","0.0451","0.0412","","","0.102","0.1047","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520761","7.3909","0.0007","12.9276","0.0012","25.254","0.002","90","","90","","90","","2412.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 O5 -","- C26 H40 O5 -","- C104 H160 O20 -","4","1","","Cheng, Shou-Ling; Jiang, Xiao-Ling; Shi, Yong; Tian, Wei-Sheng","Concise synthesis of the core structures of saundersiosides.","Organic letters","2015","17","10","2346","2349","10.1021/acs.orglett.5b00821","","","0.71073","MoKα","","0.0435","0.0405","","","0.1091","0.1126","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520762","5.2667","0.0002","15.2534","0.0006","20.3019","0.0008","90","","90","","90","","1630.95","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Lin, Cheng-Wei; Hong, Bor-Cherng; Chang, Wan-Chen; Lee, Gene-Hsiang","A New Approach to Nitrones through Cascade Reaction of Nitro Compounds Enabled by Visible Light Photoredox Catalysis.","Organic letters","2015","17","10","2314","2317","10.1021/acs.orglett.5b00684","","","0.71073","MoKα","","0.0698","0.0415","","","0.1009","0.108","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520934","4.898","","8.576","","4.351","","90","","90","","90","","182.765","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Te O2","","- O2 Te -","- O2 Te -","- O8 Te4 -","4","1","","Champarnaud-Mesjard, J.C.; Blanchandin, S.; Thomas, P.; Mirgorodsky, A.; Frit, B.; Merle-Mejean, T.","Crystal structure, Raman spectrum and lattice dynamics of a new metastable form of tellurium dioxide : gamma-(Te O2)","Journal of Physics and Chemistry of Solids","2000","61","","1499","1507","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520955","15.0752","0.0009","22.4148","0.0014","23.2893","0.0013","90","","90","","90","","7869.6","0.8","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H103.5 In2 N8.5 O6 -","- C73.016 H103.524 In2 N8.508 O6 -","- C292.064 H414.096 In8 N34.032 O24 -","4","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.067","0.0469","","","0.1033","0.112","","","","","","1.02","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1520957","9.192","0.002","16.465","0.004","25.858","0.006","90","","90","","90","","3913.5","1.6","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H58 In N3 O3 -","- C42 H58 In N3 O3 -","- C168 H232 In4 N12 O12 -","4","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0388","0.0307","","","0.055","0.0572","","","","","","1.023","","","","has coordinates","171002","2020-10-21","18:00:00",""
"1520958","12.019","0.005","20.066","0.009","23.278","0.011","90","","90","","90","","5614","4","90","","90","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H58 In N3 O3 Si2 -","- C64 H58 In N3 O3 Si2 -","- C256 H232 In4 N12 O12 Si8 -","4","1","","Aluthge, D. C.; Ahn, J. M.; Mehrkhodavandi, P.","Overcoming aggregation in indium salen catalysts for isoselective lactide polymerization","Chem. Sci.","2015","6","9","5284","","10.1039/C5SC01584G","","","0.71073","MoKα","","0.0647","0.0497","","","0.1324","0.1458","","","","","","0.722","","","","has coordinates","171002","2020-10-21","18:00:00",""
"1521667","18.286","","18.345","","16.568","","90","","90","","90","","5557.85","","","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","((C3 H7)4 N)2 (Mn (H2 O)5) (Re6 Se8 (C N)6) (H2 O)","","- C30 H68 Mn N8 O6 Re6 Se8 -","- C30 Mn N8 O6 Re6 Se8 -","- C120 Mn4 N32 O24 Re24 Se32 -","4","1","","Naumov, N.G.; Artemkina, S.B.; Virovets, A.V.; Fedorov, V.E.","Facile transformation of isolated fragments to infinite chains in rhenium chalcocyanide clusters: synthesis and structure of (Pr4 N)2 M (H2 O)5 (Re6 X8 (C N)6) . (H2 O) and (Pr4 N)2 M (H2 O)4 (Re6 S8 (C N)6) (X = S, Se; M = Mn, Ni)","Journal of Solid State Chemistry","2000","153","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522142","13.3347","","6.1256","","6.483","","90","","90","","90","","529.551","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Y Ni (O H)3 (S O4)","","- H3 Ni O7 S Y -","- Ni O7 S Y -","- Ni4 O28 S4 Y4 -","4","1","","Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J.","Synthesis and structures of yttrium-transition metal sulfates Y M (O H)3 (S O4), M = Ni, Cu","Journal of Solid State Chemistry","1999","147","","641","646","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522370","9.367","","5.39","","13.48","","90","","90","","90","","680.58","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Na4 (P2 O7)","","- Na4 O7 P2 -","- Na4 O7 P2 -","- Na16 O28 P8 -","4","1","","Leung, K.Y.; Calvo, C.","The structure of Na4 P2 O7 at 295 K","Canadian Journal of Chemistry","1972","50","","2519","2526","","","","","","","","","","","","","","","","","","","","","","has coordinates","142592","2020-10-21","18:00:00",""
"1522844","15.48","","19.44","","6.26","","90","","90","","90","","1883.83","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(P N Cl2)5","","- Cl10 N5 P5 -","- Cl10 N5 P5 -","- Cl40 N20 P20 -","4","1","","Schlueter, A.W.; Jacobson, R.A.","The crystal structure of pentameric phosphorus nitride dichloride, (P N Cl2)5","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1968","1968","","2317","2325","","","","","","","","","","","","","","","","","","","","","","has coordinates","143127","2020-10-21","18:00:00",""
"1525164","9.995","","5.8265","","23.817","","90","","90","","90","","1387","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","La2.111 Nb9.849 S23.92","","- La2.1108 Nb9.8488 S11.96 -","- La2.1108 Nb9.8488 S11.96 -","- La2.1108 Nb9.8488 S11.96 -","1","0.25","","Roesky, R.; Meerschaut, A.; van der Lee, A.; Rouxel, J.","Structural study of a niobium-lanthanum sulfide compound [(Nb1-x Lax S) Nb S2, x~0.3; the first 'self-misfit'compound]","Materials Research Bulletin","1994","29","","1149","1155","","","","","","","","","","","","","","","","","","","","","","has coordinates","146072","2020-10-21","18:00:00",""
"1525548","6.8373","","7.0932","","19.873","","90","","90","","90","","963.807","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Sb5 O6 (P O4)","","- O10 P Sb5 -","- O10 P Sb5 -","- O40 P4 Sb20 -","4","1","","Adair, B.A.; Cheetham, A.K.","Synthesis and structure of Sb5 P O10, a new phosphate of antimony(III)","Journal of Solid State Chemistry","2000","155","","451","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525595","5.865","","7.491","","10.021","","90","","90","","90","","440.27","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K Sr (V O4)","","- K O4 Sr V -","- K O4 Sr V -","- K4 O16 Sr4 V4 -","4","1","","Azrour, M.; El Ammari, L.; le Fur, Y.; Elouadi, B.","Synthesis and crystal structure of a noncentrosymmetric form of potassium strontium monovanadate K Sr V O4","Materials Research Bulletin","2000","35","","263","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526643","10.32122","","13.63081","","17.45386","","90","","90","","90","","2455.52","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Al24 (P O4)24) ((C H3) N H2)8 (H2 O)16","","- C8 H72 Al24 N8 O112 P24 -","- C8 Al24 N8 O112 P24 -","- C8 Al24 N8 O112 P24 -","1","0.25","","Kirchner, R.M.; Wilson, S.T.; Pluth, J.J.; Grosse-Kunstleve, R.W.; Broach, R.W.; Smith, J.V.","The structures of as-synthesized Al P O4 - 53(A), calcined dehydrated Al P O4 - 53(B), and Al P O4 - 53(C), a new phase determined by the FOCUS method","Microporous and Mesoporous Materials","2000","39","","319","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","147875","2020-10-21","18:00:00",""
"1527261","10.12","","12.3","","4.42","","90","","90","","90","","550.184","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Sb Br3","","- Br3 Sb -","- Br3 Sb -","- Br12 Sb4 -","4","1","","Cushen, D.W.; Hulme, R.","The crystal and molecular structure of antimony tribromide: alpha-antimony tribromide","Journal of the Chemical Society","1964","1964","","4162","4166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527293","4.9889","","5.1392","","8.4777","","90","","90","","90","","217.359","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Sn F2","","- F2 Sn -","- F2 Sn -","- F8 Sn4 -","4","1","","Denes, G.; Pannetier, J.; Lucas, J.","About Sn F2 stannous fluoride. II. Crystal structure of beta- and gamma- Sn F2","Journal of Solid State Chemistry","1980","33","","1","11","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527431","17.718","","5.837","","6.307","","90","","90","","90","","652.27","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N H4 H3 (Se O3)2","","- H7 N O6 Se2 -","- N O6 Se2 -","- N4 O24 Se8 -","4","1","","Gorbatyii, L.V.; Ponomarev, V.I.; Kheiker, D.M.","Crystal structure of ammonium trihydroselenite","Kristallografiya","1972","17","","1131","1134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527594","5.6737","","7.8194","","10.6338","","90","","90","","90","","471.768","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N2 H5 H2 P O4","","- H7 N2 O4 P -","- H7 N2 O4 P -","- H28 N8 O16 P4 -","4","1","","Joensson, P.G.; Liminga, R.","Hydrogen bond studies. 48. Neutron diffraction study of hydrazinium dihydrogen phosphate, N2 H5 H2 P O4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","1729","1741","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527625","15.399","","9.063","","8.532","","90","","90","","90","","1190.74","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Tl3 Pb Br5","","- Br5 Pb Tl3 -","- Br5 Pb Tl3 -","- Br20 Pb4 Tl12 -","4","1","","Keller, H.L.","Tief-Tl3 Pb Br5, Darstellung und Kristallstruktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1981","482","","154","162","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528277","6.038","","5.643","","10.142","","90","","90","","90","","345.563","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Na P -","- Na P -","- Na8 P8 -","8","2","","von Schnering, H.G.; Hoenle, W.","Darstellung, Struktur und Eigenschaften der Alkalimetallmonophosphide Na P und K P","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","456","","194","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528278","6.5","","6.016","","11.288","","90","","90","","90","","441.406","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- K P -","- K P -","- K8 P8 -","8","2","","von Schnering, H.G.; Hoenle, W.","Darstellung, Struktur und Eigenschaften der Alkalimetallmonophosphide Na P und K P","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","456","","194","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528554","6.71","","9","","7.4","","90","","90","","90","","446.886","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cu (H P O3) (H2 O)2","","- Cu H5 O5 P -","- Cu O5 P -","- Cu4 O20 P4 -","4","1","","Handlovic, M.","Krystalova struktura Cu H P O3 (H2 O)2","Chemicke Zvesti","1965","19","","641","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528827","10.304","","9.88","","6.235","","90","","90","","90","","634.745","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Na Fe Cl4","","- Cl4 Fe Na -","- Cl4 Fe Na -","- Cl16 Fe4 Na4 -","4","1","","Richards, R.R.; Gregory, N.W.","The Crystal Structure of Sodium Tetrachloroferrate(III)","Journal of Physical Chemistry","1965","69","","239","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528938","4.682","","5.158","","8.312","","90","","90","","90","","200.733","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Ge F2","","- F2 Ge -","- F2 Ge -","- F8 Ge4 -","4","1","","Trotter, J.; Akhtar, M.; Barlett, N.","The crystal structure of germanium difluoride","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1966","1966","","30","33","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529139","11.0525","","5.2261","","23.7049","","90","","90","","90","","1369.23","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","La (Al Si O5)","","- Al La O5 Si -","- Al0.993333 La O5 Si1.00667 -","- Al11.92 La12 O60 Si12.08 -","12","3","","Kahlenberg, V.; Krueger, H.","La Al Si O5 and apatite-type La9.71 (Si0.81 Al0.19 O4)6 O2 - the crystal structures of two synthetic lanthanum alumosilicates","Solid State Sciences","2004","6","","553","560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529216","9.5286","0.0002","10.2653","0.0003","21.7873","0.0005","90","","90","","90","","2131.1","0.09","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N2 O2 -","- C26 H21 Cl N2 O2 -","- C104 H84 Cl4 N8 O8 -","4","1","","Li, Bao-Sheng; Wang, Yuhuang; Jin, Zhichao; Chi, Yonggui Robin","Cycloaddition of cyclobutenone and azomethine imine enabled by chiral isothiourea organic catalysts","Chem. Sci.","2015","6","10","6008","","10.1039/C5SC01972A","","","0.71073","MoKα","","0.0496","0.0369","","","0.0779","0.0847","","","","","","1.02","","","","has coordinates","170945","2020-10-21","18:00:00",""
"1529231","4.2541","0.0006","14.739","0.002","16.635","0.003","90","","90","","90","","1043","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-thiobarbiturato-O,O,O' O',S,S)potassium","","- C8 H11 K N2 O2 S -","- C8 H11 K N2 O2 S -","- C32 H44 K4 N8 O8 S4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Sterkhova, Irina; Atuchin, Victor","The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes","Polyhedron","2015","85","0","493","","10.1016/j.poly.2014.09.011","","","0.71073","MoKα","","0.0476","0.0321","","","0.058","0.0642","","","","","","1.03","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529239","4.5236","0.0009","14.739","0.003","16.937","0.004","90","","90","","90","","1129.2","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-1,3-diethyl-2-thiobarbiturato-O,O,O'O',S,S)-cesium","","- C8 H11 Cs N2 O2 S -","- C8 H11 Cs N2 O2 S -","- C32 H44 Cs4 N8 O8 S4 -","4","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0318","0.0233","","","0.0428","0.0453","","","","","","1.008","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529241","4.373","0.0009","14.789","0.003","16.923","0.003","90","","90","","90","","1094.4","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-1,3-diethyl-2-thiobarbiturato-O,O,O'O',S,S)-rubidium","","- C8 H11 N2 O2 Rb S -","- C8 H11 N2 O2 Rb S -","- C32 H44 N8 O8 Rb4 S4 -","4","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0509","0.0343","","","0.0588","0.0629","","","","","","1.001","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529242","4.3767","0.0004","14.7003","0.0014","16.6064","0.0016","90","","90","","90","","1068.44","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-1,3-diethyl-2-thiobarbiturato-O,O,O'O',S,S)-thallium","","- C8 H11 N2 O2 S Tl -","- C8 H11 N2 O2 S Tl -","- C32 H44 N8 O8 S4 Tl4 -","4","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0342","0.0263","","","0.0436","0.0455","","","","","","0.999","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529256","10.5266","0.0002","14.2874","0.0002","18.9078","0.0003","90","","90","","90","","2843.69","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 O11 -","- C27 H42 O11 -","- C108 H168 O44 -","4","1","","Jin, An; Wu, Wen-Ming; Yu, Heng-Yi; Zhou, Ming; Liu, Ye; Tian, Tian; Ruan, Han-Li","Bisabolane-Type Sesquiterpenoids from the Whole Plant of Parasenecio rubescens.","Journal of natural products","2015","78","8","2057","2066","10.1021/acs.jnatprod.5b00380","","","1.54178","CuKα","","0.0292","0.029","","","0.0743","0.0744","","","","","","1.05","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529264","7.2261","0.0003","13.4245","0.0005","18.999","0.0009","90","","90","","90","","1843.03","0.13","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy","Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds","Chem. Sci.","2015","6","11","6312","","10.1039/C5SC01914A","","","1.54184","CuKα","","0.0662","0.0523","","","0.1154","0.1215","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529283","10.1466","0.0003","10.1835","0.0003","16.6612","0.0004","90","","90","","90","","1721.57","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Lin, Kuo-Wei; Ananthan, Bakthavachalam; Tseng, Sheng-Fang; Yan, Tu-Hsin","Exceedingly Concise and Elegant Synthesis of (+)-Paniculatine, (-)-Magellanine, and (+)-Magellaninone.","Organic letters","2015","17","15","3938","3940","10.1021/acs.orglett.5b01975","","x-ray","0.71073","MoKα","","0.0684","0.0486","","","0.0997","0.1084","","","","","","1.019","","","","has coordinates","154770","2020-10-21","18:00:00",""
"1529293","8.8494","0.0015","10.974","0.002","17.557","0.004","90","","90","","90","","1705","0.6","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Komine, Keita; Nomura, Yusuke; Ishihara, Jun; Hatakeyama, Susumi","Total Synthesis of (-)-N-Methylwelwitindolinone C Isothiocyanate Based on a Pd-Catalyzed Tandem Enolate Coupling Strategy.","Organic letters","2015","17","15","3918","3921","10.1021/acs.orglett.5b01952","","","0.71075","MoKα","","","0.0317","","","","0.0791","","","","","","1.041","","","","has coordinates","154766","2020-10-21","18:00:00",""
"1529365","10.8851","0.0004","15.544","0.0006","18.9208","0.0007","90","","90","","90","","3201.4","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Ni[k2-(CF2)4-](SIPr)]","","","- C31 H38 F8 N2 Ni -","- C31 H38 F8 N2 Ni -","- C124 H152 F32 N8 Ni4 -","4","1","","Andrella, Nicholas O.; Sicard, Alexandre J.; Gorelsky, Serge I.; Korobkov, Ilia; Baker, R. Tom","A T-shaped Ni[κ2-(CF2)4‒] NHC complex: unusual Csp3‒F and M‒CFbond functionalization reactions","Chem. Sci.","2015","6","11","6392","","10.1039/C5SC01886B","","","0.71073","MoKα","","0.0318","0.0266","","","0.0643","0.0663","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529393","6.9051","0.0007","18.0332","0.0019","18.2794","0.0019","90","","90","","90","","2276.2","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl N O5 -","- C25 H24 Cl N O5 -","- C100 H96 Cl4 N4 O20 -","4","1","","Liu, Qiong-Jie; Yan, Wen-Guang; Wang, Lijia; Zhang, X. Peter; Tang, Yong","One-Pot Catalytic Asymmetric Synthesis of Tetrahydrocarbazoles.","Organic letters","2015","17","16","4014","4017","10.1021/acs.orglett.5b01909","","","0.71073","MoKα","","0.0504","0.0376","","","0.0909","0.0989","","","","","","1.019","","","","has coordinates","154777","2020-10-21","18:00:00",""
"1529397","5.5023","0.0001","8.005","0.0002","31.0282","0.0008","90","","90","","90","","1366.67","0.05","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cl I O4 -","- C11 H14 Cl I O4 -","- C44 H56 Cl4 I4 O16 -","4","1","","Lan, Ping; White, Lauren E.; Taher, Ehab S.; Guest, Prudence E.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic Synthesis of (+)-Asperpentyn and the Enantiomer of the Structure Assigned to Aspergillusol A.","Journal of natural products","2015","78","8","1963","1968","10.1021/acs.jnatprod.5b00304","","","0.71073","MoKα","","0.0736","0.0495","","0.06","0.0521","0.06","","","","","","1.1092","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529429","8.511","0.004","11.945","0.006","14.173","0.007","90","","90","","90","","1440.9","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 F3 O3 -","- C15 H17 F3 O3 -","- C60 H68 F12 O12 -","4","1","","Yang, Zhong-Jin; Ge, Wei-Zhi; Li, Qiu-Ying; Lu, Yaxin; Gong, Jian-Miao; Kuang, Bei-Jia; Xi, Xiaonan; Wu, Haiting; Zhang, Quan; Chen, Yue","Syntheses and Biological Evaluation of Costunolide, Parthenolide, and Their Fluorinated Analogues.","Journal of medicinal chemistry","2015","58","17","7007","7020","10.1021/acs.jmedchem.5b00915","","","1.54187","CuKα","","0.0268","0.0254","","","0.0657","0.0667","","","","","","1.04","","","","has coordinates","160541","2020-10-21","18:00:00",""
"1529447","9.1983","0.0002","18.6272","0.0004","18.7098","0.0004","90","","90","","90","","3205.71","0.12","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 O9 -","- C35 H40 O9 -","- C140 H160 O36 -","4","1","","Ning, Ruonan; Lei, Yun; Liu, Shuangzhu; Wang, Huan; Zhang, Rujun; Wang, Wei; Zhu, Yingdong; Zhang, Haiyan; Zhao, Weimin","Natural β-Dihydroagarofuran-Type Sesquiterpenoids as Cognition-Enhancing and Neuroprotective Agents from Medicinal Plants of the Genus Celastrus.","Journal of natural products","2015","78","9","2175","2186","10.1021/acs.jnatprod.5b00234","","","1.54178","CuKα","","0.0453","0.0354","","","0.0819","0.0865","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529454","9.9296","0.0005","13.1794","0.0007","24.2673","0.0012","90","","90","","90","","3175.8","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NZ-105 free form","efonidipine","","- C34 H38 N3 O7 P -","- C34 H38 N3 O7 P -","- C136 H152 N12 O28 P4 -","4","1","","Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T.","Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate","CrystEngComm","2015","17","38","7430","","10.1039/C5CE00751H","","","1.54178","CuKα","","0.0615","0.0418","","","0.1066","0.1349","","","","","","0.858","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1529469","6.212","0.002","12.231","0.003","28.133","0.007","90","","90","","90","","2137.5","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N O3 -","- C22 H35 N O3 -","- C88 H140 N4 O12 -","4","1","","Zhang, Dewu; Tao, Xiaoyu; Chen, Ridao; Liu, Jimei; Li, Li; Fang, Xiaomei; Yu, Liyan; Dai, Jungui","Pericoannosin A, a Polyketide Synthase-Nonribosomal Peptide Synthetase Hybrid Metabolite with New Carbon Skeleton from the Endophytic Fungus Periconia sp.","Organic letters","2015","17","17","4304","4307","10.1021/acs.orglett.5b02123","","","1.54187","CuKα","","0.0404","0.0391","","","0.1037","0.1049","","","","","","1.044","","","","has coordinates","154787","2020-10-21","18:00:00",""
"1529470","12.515","0.003","14.907","0.002","45.898","0.006","90","","90","","90","","8563","3","293","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 N O3.5 -","- C22 H33 N O3.5 -","- C352 H528 N16 O56 -","16","4","","Zhang, Dewu; Tao, Xiaoyu; Chen, Ridao; Liu, Jimei; Li, Li; Fang, Xiaomei; Yu, Liyan; Dai, Jungui","Pericoannosin A, a Polyketide Synthase-Nonribosomal Peptide Synthetase Hybrid Metabolite with New Carbon Skeleton from the Endophytic Fungus Periconia sp.","Organic letters","2015","17","17","4304","4307","10.1021/acs.orglett.5b02123","","","1.54178","CuKα","","0.0719","0.06","","","0.1566","0.1713","","","","","","1.083","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529502","9.7454","0.0004","11.2225","0.0004","13.9171","0.0005","90","","90","","90","","1522.08","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,3-diethyl-7-hydroxy-5,5,7-trimethyl-2-thioxo-1,2,3,5,6,7-hexahydro -4H-pyrano[2,3-d]pyrimidin-4-one","","","- C14 H22 N2 O3 S -","- C14 H22 N2 O3 S -","- C56 H88 N8 O12 S4 -","4","1","","N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; Yu.V. Goryunov; V.V. Atuchin","New class of bicyclic compounds derived from thiobarbituric acid with representative compound 1,3-diethyl-7-hydroxy-5,5,7-trimethyl- 2-thioxo-1,2,3,5,6,7-hexahydro-4H-pyrano[2,3-d]pyrimidin-4-one. Preparation, crystal structure, mass spectrometry and IR spectroscopy.","Journal of Molecular Structure","2015","1102","0","101","107","10.1016/j.molstruc.2015.08.046","","","0.71073","MoKα","","0.0534","0.0417","","","0.0899","0.095","","","","","","1.034","","","","has coordinates,has Fobs","153900","2020-10-21","18:00:00",""
"1529515","10.2082","","10.2837","","10.1661","","90","","90","","90","","1067.22","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K2 Cd2 (S O4)3","","- Cd2 K2 O12 S3 -","- Cd2 K2 O12 S3 -","- Cd8 K8 O48 S12 -","4","1","","Abrahams, S.C.; Bernstein, J.L.","Piezoelectric langbeinite-type K2 Cd2 (S O4)3. Room temperature crystal structure and ferroelastic transformation","Journal of Chemical Physics","1977","67","","2146","2150","","","","","","","","","","","","","","","","","","","","","","has coordinates","153947","2020-10-21","18:00:00",""
"1529516","10.2386","","10.2951","","10.1981","","90","","90","","90","","1074.95","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K2 Cd2 (S O4)3","","- Cd2 K2 O12 S3 -","- Cd2 K2 O12 S3 -","- Cd8 K8 O48 S12 -","4","1","","Abrahams, S.C.; Lissalde, F.; Bernstein, J.L.","Piezoelectric langbeinite-type K2 Cd2 (S O4)3 structure at four temperatures below and one above the 432 K ferroelastic- paraelastic transition","Journal of Chemical Physics","1978","68","","1926","1935","","","","","","","","","","","","","","","","","","","","","","has coordinates","153948","2020-10-21","18:00:00",""
"1529629","11.275","","12.806","","6.696","","90","","90","","90","","966.82","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","K Co (N H3)2 (N O2)4","","- Co H6 K N6 O8 -","- Co H6 K N6 O8 -","- Co4 H24 K4 N24 O32 -","4","1","","Bernal, I.","... Spontaneous resolution ... III(1). The structures and absolute configuration of (cis-alpha-(triethylenetetraamine)Co(NO2)2)Cl H2O (I), ((cis-bis-ethylenediamine Co(NO)2)2)Cl (II) and of K(trans-Co(NH3)2 (NO2)4) (III)","Inorganica Chimica Acta","1985","96","","99","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529662","7.148","","18.48","","6.78","","90","","90","","90","","895.604","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 S5 -","- Cs2 S5 -","- Cs8 S20 -","4","1","","Boettcher, P.; Kruse, K.","Darstellung und Kristallstruktur von Dicaesiumpentasulfid (Cs2 S5)","Journal of the Less-Common Metals","1982","83","","115","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529712","7.8143","0.0004","7.9133","0.0003","18.3147","0.0009","90","","90","","90","","1132.52","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Liu, Yayue; Yang, Qin; Xia, Guoping; Huang, Hongbo; Li, Hanxiang; Ma, Lin; Lu, Yongjun; He, Lei; Xia, Xuekui; She, Zhigang","Polyketides with α-Glucosidase Inhibitory Activity from a Mangrove Endophytic Fungus, Penicillium sp. HN29-3B1.","Journal of natural products","2015","78","8","1816","1822","10.1021/np500885f","","","1.54178","CuKα","","0.0474","0.0447","","","0.1167","0.1198","","","","","","1.016","","","","has coordinates","154293","2020-10-21","18:00:00",""
"1529749","7.455","","8.955","","5.916","","90","","90","","90","","394.949","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ca Ni (As O4) (O H)","","- As Ca H Ni O5 -","- As Ca H Ni O5 -","- As4 Ca4 H4 Ni4 O20 -","4","1","","Cesbron, F.; Pillard, F.; Ginderow, D.; Giraud, R.; Pelisson, P.","La nickelaustinite, Ca (Ni, Zn) (As O4) (O H): Nouvelle espece minerale du district Cobalto-Nickelifere de Bou-Azzer, Maroc","Canadian Mineralogist","1987","25","","401","407","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529817","13.93","","5.66","","4.978","","90","","90","","90","","392.484","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ba Ga F5","","- Ba F5 Ga -","- Ba F5 Ga -","- Ba4 F20 Ga4 -","4","1","","Domesle, R.; Hoppe, R.","Ueber das system Ba F2 / Ga F3. Zur Kenntnis von Ba Ga F5","Revue de Chimie Minerale","1978","15","","439","458","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529854","7.9153","0.0009","11.4655","0.0013","18.152","0.002","90","","90","","90","","1647.3","0.3","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br N O3 S -","- C18 H16 Br N O3 S -","- C72 H64 Br4 N4 O12 S4 -","4","1","","Xiao, Yonglong; Wang, Jinxin; Xia, Wenjing; Shu, Shuangjie; Jiao, Shenchao; Zhou, Yu; Liu, Hong","γ-Carbon Activation through N-Heterocyclic Carbene/Brønsted Acids Cooperative Catalysis: A Highly Enantioselective Route to δ-Lactams.","Organic letters","2015","17","15","3850","3853","10.1021/acs.orglett.5b01827","","","0.71073","MoKα","","0.0505","0.0354","","","0.0679","0.0718","","","","","","0.989","","","","has coordinates","154512","2020-10-21","18:00:00",""
"1529857","6.8305","0.0002","13.7709","0.0006","21.5589","0.0008","90","","90","","90","","2027.88","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O5 S -","- C20 H22 N2 O5 S -","- C80 H88 N8 O20 S4 -","4","1","","Rao, Wei-Hao; Yin, Xue-Song; Shi, Bing-Feng","Catalyst-Controlled Amino- versus Oxy-Acetoxylation of Urea-Tethered Alkenes: Efficient Synthesis of Cyclic Ureas and Isoureas.","Organic letters","2015","17","15","3758","3761","10.1021/acs.orglett.5b01741","","","0.71073","MoKα","","0.0532","0.0361","","","0.0772","0.0915","","","","","","1.005","","","","has coordinates","154515","2020-10-21","18:00:00",""
"1529860","10.916","0.002","12.171","0.002","27.176","0.005","90","","90","","90","","3610.6","1.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl F3 N O4 -","- C18 H13 Cl F3 N O4 -","- C144 H104 Cl8 F24 N8 O32 -","8","2","","Zhu, Yuanyuan; Li, Xiaoyuan; Chen, Qiao; Su, Jinhuan; Jia, Fengjing; Qiu, Shuai; Ma, Mingxia; Sun, Quantao; Yan, Wenjin; Wang, Kairong; Wang, Rui","Highly Enantioselective Cascade Reaction Catalyzed by Squaramides: the Synthesis of CF3-Containing Chromanes.","Organic letters","2015","17","15","3826","3829","10.1021/acs.orglett.5b01799","","","0.71073","MoKα","","0.088","0.0589","","","0.1249","0.1409","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529861","8.3159","0.0007","9.4678","0.0007","23.6499","0.0018","90","","90","","90","","1862","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br F3 N O4 -","- C19 H15 Br F3 N O4 -","- C76 H60 Br4 F12 N4 O16 -","4","1","","Zhu, Yuanyuan; Li, Xiaoyuan; Chen, Qiao; Su, Jinhuan; Jia, Fengjing; Qiu, Shuai; Ma, Mingxia; Sun, Quantao; Yan, Wenjin; Wang, Kairong; Wang, Rui","Highly Enantioselective Cascade Reaction Catalyzed by Squaramides: the Synthesis of CF3-Containing Chromanes.","Organic letters","2015","17","15","3826","3829","10.1021/acs.orglett.5b01799","","","0.71073","MoKα","","0.0373","0.0307","","","0.0764","0.0799","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529874","5.968","0.0009","10.51","0.001","25.663","0.002","90","","90","","90","","1609.7","0.3","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icacina9","","","- C20 H18 O7 -","- C20 H18 O7 -","- C80 H72 O28 -","4","1","","Zhao, Ming; Onakpa, Monday M.; Santarsiero, Bernard D.; Huang, Xiao-Jun; Zhang, Xiao-Qi; Chen, Jia; Cheng, Jian-Jun; Longnecker, Richard; Che, Chun-Tao","Icacinlactone H and Icacintrichantholide from the Tuber of Icacina trichantha.","Organic letters","2015","17","15","3834","3837","10.1021/acs.orglett.5b01806","","","0.72925","Synchrotron","","0.0494","0.0491","","","0.1243","0.1247","","","","","","1.065","","","","has coordinates","154525","2020-10-21","18:00:00",""
"1529883","7.3862","0.0003","11.9598","0.0005","17.2782","0.0007","90","","90","","90","","1526.31","0.11","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","","Cheng, Guolin; Weng, Yunxiang; Yang, Xifa; Cui, Xiuling","Base-Promoted N-Pyridylation of Heteroarenes Using N-Propargyl Enaminones as Equivalents of Pyridine Scaffolds.","Organic letters","2015","17","15","3790","3793","10.1021/acs.orglett.5b01733","","","1.54184","CuKα","","0.0374","0.0348","","","0.0941","0.0973","","","","","","1.026","","","","has coordinates","154534","2020-10-21","18:00:00",""
"1530119","7.109","","10.638","","15.57","","90","","90","","90","","1177.49","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","K I O3 K N O3 (H I O3)2","","- H2 I3 K2 N O12 -","- I3 K2 N O12 -","- I12 K8 N4 O48 -","4","1","","Kalinin, V.R.; Ilyukhin, V.V.; Belov, N.V.","The crystal structure of the acid mixed potassium iodate nitrate K I O3 K N O3 (H I O3)2","Doklady Akademii Nauk SSSR","1978","239","","1340","1342","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530172","31.775","","10.594","","10.603","","90","","90","","90","","3569.23","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K2 Mg2 (Mo O4)3","","- K2 Mg2 Mo3 O12 -","- K2 Mg2 Mo3 O12 -","- K24 Mg24 Mo36 O144 -","12","3","","Klevtsov, P.V.; Klevtsova, R.F.; Kim, V.G.","Thermal stability and synthesis of crystals of double molybdates (K2 R2)(2+) (Mo O4)3 (R = Mg, Ni, Co, or Zn), and crystal structure of beta-K2 Mg2 (Mo O4)3","Kristallografiya","1980","25","","301","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","155160","2020-10-21","18:00:00",""
"1530243","6.92","","10.83","","17.54","","90","","90","","90","","1314.51","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(N H4) (Co (S O3)2 (N H3)4) (H2 O)3","","- Co H22 N5 O9 S2 -","- Co H22 N5 O9 S2 -","- Co4 H88 N20 O36 S8 -","4","1","","Landa, L.I.; Simonov, M.A.; Malinovskii, T.I.","The crystal and molecular structure of the disulphitetetramminecobaltate(III) of ammonium (N H4) (Co (S O3)2 (N H3)4) (H2 O)3","Izvestiya Akademii Nauk Moldavskoi SSR, Seriya Fiziko-Tekhnicheskikh i Matematicheskikh Nauk","1972","1972","","46","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1530280","6.879","","7.741","","16.244","","90","","90","","90","","864.999","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N H4 Mn2 O (P O4) (H P O4) (H2 O)","","- H7 Mn2 N O10 P2 -","- H7 Mn2 N O10 P2 -","- H28 Mn8 N4 O40 P8 -","4","1","","Lightfoot, P.; Cheetham, A.K.","Synthesis and Structure of a Novel Layered Phosphate N H4 Mn2 O (P O4) (H P O4) (H2 O)","Journal of Solid State Chemistry","1989","78","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530290","7.101","","9.174","","12.801","","90","","90","","90","","833.916","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Rb2 (V O) (P2 O7)","","- O8 P2 Rb2 V -","- O8 P2 Rb2 V -","- O32 P8 Rb8 V4 -","4","1","","Lii, K.-H.; Wang, S.-L.","M2 V O P2 O7 (M = Rb, Cs): Two vanadyl pyrophosphates with a layer structure","Journal of Solid State Chemistry","1989","82","","239","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530357","12.374","","14.796","","5.929","","90","","90","","90","","1085.52","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","K2 (Se O4) (Sb F3)2 (H2 O)","","- F6 H2 K2 O5 Sb2 Se -","- F6 K2 O5 Sb2 Se -","- F24 K8 O20 Sb8 Se4 -","4","1","","Mascherpa-Corral, D.; Ducourant, M.B.; Fourcade, R.; Alberola, S.; Mascherpa, G.","Interaction trifluorure d'antimoine-seleniates alcalins: Structure cristalline de K2 Se O4 (Sb F3)2 (H2 O)","Journal of Solid State Chemistry","1986","63","","52","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530390","7.3491","0.0002","11.3041","0.0004","30.6417","0.0011","90","","90","","90","","2545.56","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C116 H176 O16 -","4","1","","Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong","Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.","Organic letters","2015","17","18","4616","4619","10.1021/acs.orglett.5b02360","","","1.54178","CuKα","","0.0421","0.0409","","","0.1073","0.1084","","","","","","1.032","","","","has coordinates","160562","2020-10-21","18:00:00",""
"1530499","4.963","","5.92","","6.857","","90","","90","","90","","201.465","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hg (O H) F","","- F H Hg O -","- F H Hg O -","- F4 H4 Hg4 O4 -","4","1","","Nozik, Yu.Z.; Fykin, L.E.; Bukin, V.I.; Laptash, N.M.","Crystal structure of mercury hydroxyfluoride Hg (O H)F determined by neutron diffraction","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1979","5","","276","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530500","17.909","","6.243","","5.899","","90","","90","","90","","659.543","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Rb H3 (Se O3)2","","- H3 O6 Rb Se2 -","- H3 O6 Rb Se2 -","- H12 O24 Rb4 Se8 -","4","1","","Nozik, Yu.Z.; Fykin, L.E.; Muradyan, L.A.; Sarin, V.A.","Location of the hydrogen atoms in the crystal structure of rubidium trihydroselenite Rb H3 (Se O3)2 by neutron diffraction","Kristallografiya","1977","22","","69","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530551","9.454","","12.623","","8.272","","90","","90","","90","","987.163","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Se Br3 Sb F6","","- Br3 F6 Sb Se -","- Br3 F6 Sb Se -","- Br12 F24 Sb4 Se4 -","4","1","","Passmore, J.; Richardson, E.K.; Whidden, T.K.; White, P.S.","The X-Ray crystal structures of Se Br3 Sb F6 and Te Br3 As F6","Canadian Journal of Chemistry","1980","58","","851","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530652","7.091","","7.791","","22.179","","90","","90","","90","","1225.3","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Na2 Hf (S O4)3 (H2 O)3","","- H6 Hf Na2 O15 S3 -","- Hf Na2 O15 S3 -","- Hf4 Na8 O60 S12 -","4","1","","Rogachev, D.L.; Dikareva, L.M.; Nikolaev, V.P.; Kuznetsov, V.J.","The structure of hafnium and sodium sulfate Hf (S O4)2 (Na2 S O4) (H2 O)3","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1981","22","","194","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530687","7.9069","0.0004","8.1826","0.0003","38.9732","0.0016","90","","90","","90","","2521.53","0.19","103.5","","103.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 O9 -","- C26 H40 O9 -","- C104 H160 O36 -","4","1","","Huang, Zheng; Zhu, Zhi-Xiang; Li, Yue-Ting; Pang, Dao-Ran; Zheng, Jiao; Zhang, Qian; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun","Anti-inflammatory Labdane Diterpenoids from Leonurus macranthus.","Journal of natural products","2015","78","9","2276","2285","10.1021/acs.jnatprod.5b00635","","","1.5418","CuKα","","0.038","0.0367","","","0.0935","0.0947","","","","","","1.042","","","","has coordinates","160545","2020-10-21","18:00:00",""
"1530866","5.9192","","17.9506","","6.2519","","90","","90","","90","","664.284","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Rb H3 (Se O3)2","","- H3 O6 Rb Se2 -","- H3 O6 Rb Se2 -","- H12 O24 Rb4 Se8 -","4","1","","Tellgren, R.; Liminga, R.","Hydrogen bond studies 109. A neutron diffraction study of the paraelectric phase of rubidium trihydrogen selenite, Rb H3 (Se O3)2","Ferroelectrics","1977","15","","15","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531004","10.081","","10.108","","10.048","","90","","90","","90","","1023.88","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K2 Mn2 (S O4)3","","- K2 Mn2 O12 S3 -","- K2 Mn2 O12 S3 -","- K8 Mn8 O48 S12 -","4","1","","Yamada, N.; Maeda, M.; Adachi, H.","Structures of langbeinite-type K2 Mn2 (S O4)3 in cubic and orthorhombic phases","Journal of the Physical Society of Japan","1981","50","","907","913","","","","","","","","","","","","","","","","","","","","","","has coordinates","156258","2020-10-21","18:00:00",""
"1531170","7.8395","0.00006","12.02537","0.00011","26.9644","0.0002","90","","90","","90","","2542.01","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O4 S2 -","- C28 H26 N2 O4 S2 -","- C112 H104 N8 O16 S8 -","4","1","","Hou, Wenduan; Wei, Qi; Liu, Guisheng; Chen, Jing; Guo, Jing; Peng, Yungui","Asymmetric Multicomponent Sulfa-Michael/Mannich Cascade Reaction: Synthetic Access to 1,2-Diamino-3-Organosulfur Compounds and 2-Nitro Allylic Amines.","Organic letters","2015","17","19","4870","4873","10.1021/acs.orglett.5b02423","","","1.54184","CuKα","","0.0259","0.0255","","","0.0683","0.0689","","","","","","0.925","","","","has coordinates","160567","2020-10-21","18:00:00",""
"1531174","5.35547","0.00005","17.35361","0.00013","27.184","0.0002","90","","90","","90","","2526.39","0.04","284.46","0.1","284.46","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O4 S2 -","- C28 H26 N2 O4 S2 -","- C112 H104 N8 O16 S8 -","4","1","","Hou, Wenduan; Wei, Qi; Liu, Guisheng; Chen, Jing; Guo, Jing; Peng, Yungui","Asymmetric Multicomponent Sulfa-Michael/Mannich Cascade Reaction: Synthetic Access to 1,2-Diamino-3-Organosulfur Compounds and 2-Nitro Allylic Amines.","Organic letters","2015","17","19","4870","4873","10.1021/acs.orglett.5b02423","","x-ray","1.54184","CuKα","","0.0265","0.0263","","","0.0696","0.0698","","","","","","1.035","","","","has coordinates","160567","2020-10-21","18:00:00",""
"1531778","6.262","","13.585","","6.091","","90","","90","","90","","518.157","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Mn (C2 O4) (H2 O)2","","- C2 H4 Mn O6 -","- C2 Mn O6 -","- C8 Mn4 O24 -","4","1","","Lethbridge, Z.A.D.; Congreve, A.F.; Esslemont, E.; Lightfoot, P.; Slawin, A.M.Z.","Synthesis and structure of three manganese oxalates: Mn C2 O4 * 2(H2 O), (C4 H8 (N H2)2) (Mn2 (C2 O4)3) and Mn2 (C2 O4) (O H)2","Journal of Solid State Chemistry","2003","172","","212","218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531917","7.0989","","9.5374","","23.3016","","90","","90","","90","","1577.64","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Rb3 Zn (V O)2 (P O4) (H P O4) (P2 O7)","","- H O17 P4 Rb3 V2 Zn -","- O17 P4 Rb3 V2 Zn -","- O68 P16 Rb12 V8 Zn4 -","4","1","","le Fur, E.; Pivan, J.Y.","Crystal structure of a rubidium zinc oxovanadium phosphate H Rb3 Zn V2 P4 O17 with open structure containing P O4, H P O4 and P2 O7","Solid State Sciences","2002","4","","233","238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531942","15.5936","0.0016","21.315","0.002","24.141","0.003","90","","90","","90","","8023.9","1.5","100","2","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[AgPd(CNArDipp2)2(THF)]OTf","","","- C93 H134 Ag F3 N2 O10.5 Pd S -","- C67 H82 Ag F3 N2 O4 Pd S -","- C268 H328 Ag4 F12 N8 O16 Pd4 S4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0821","0.0618","","","0.1691","0.1833","","","","","","1.069","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531943","15.6478","0.0015","21.2503","0.0019","24.077","0.002","90","","90","","90","","8006.1","1.2","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[AgPt(CNArDipp2)2(THF)]OTf","","","- C79 H106 Ag F3 N5 O4 Pt S -","- C67 H82 Ag F3 N2 O4 Pt S -","- C268 H328 Ag4 F12 N8 O16 Pt4 S4 -","4","1","","Barnett, Brandon R.; Moore, Curtis E.; Chandrasekaran, Perumalreddy; Sproules, Stephen; Rheingold, Arnold L.; DeBeer, Serena; Figueroa, Joshua S.","Metal-only Lewis pairs between group 10 metals and Tl(i) or Ag(i): insights into the electronic consequences of Z-type ligand binding","Chem. Sci.","2015","6","12","7169","","10.1039/C5SC03104D","","x-ray","0.71073","MoKα","","0.0453","0.0359","","","0.0851","0.0888","","","","","","1.033","","","","has coordinates,has disorder","170960","2020-10-21","18:00:00",""
"1532136","6.621","","6.506","","13.231","","90","","90","","90","","569.942","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Na (O H) (H2 O)4","","- H9 Na O5 -","- H9 Na O5 -","- H36 Na4 O20 -","4","1","","Rustad, J.R.; Rosso, K.M.; Felmy, A.R.; Bylaska, E.J.","Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra","American Mineralogist","2003","88","","436","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532324","9.1104","","9.1104","","9.1104","","90","","90","","90","","756.158","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(N H4)3 (Fe F6)","","- F6 Fe H12 N3 -","- F6 Fe H12 N3 -","- F24 Fe4 H48 N12 -","4","1","","Udovenko, A.A.; Maslenikova, I.G.; Laptash, N.M.","Orientation disorder in ammonium elpasolites. Crystal structures of(N H4)3 Al F6, (N H4)3 Ti O F5 and (N H4)3 Fe F6","Journal of Fluorine Chemistry","2003","124","","5","15","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532487","9.772","0.0001","13.5369","0.0002","16.5519","0.0002","90","","90","","90","","2189.53","0.05","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O7 -","- C23 H32 O7 -","- C92 H128 O28 -","4","1","","Ma, Guoxu; Wu, Haifeng; Chen, Deli; Zhu, Nailiang; Zhu, Yindi; Sun, Zhonghao; Li, Pengfei; Yang, Junshan; Yuan, Jingquan; Xu, Xudong","Antimalarial and Antiproliferative Cassane Diterpenes of Caesalpinia sappan.","Journal of natural products","2015","78","10","2364","2371","10.1021/acs.jnatprod.5b00317","","","1.54178","CuKα","","0.0358","0.0353","","","0.1028","0.1033","","","","","","1.04","","","","has coordinates","170088","2020-10-21","18:00:00",""
"1532501","14.0266","0.0006","15.2323","0.0006","21.3735","0.0009","90","","90","","90","","4566.6","0.3","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H67 F3 O4 P2 Pd S2 -","- C44 H67 F3 O4 P2 Pd S2 -","- C176 H268 F12 O16 P8 Pd4 S8 -","4","1","","Cui, Peng; Iluc, Vlad M.","Redox-induced umpolung of transition metal carbenes","Chem. Sci.","2015","6","12","7343","","10.1039/C5SC02859K","","","0.71073","MoKα","","0.0331","0.026","","","0.0561","0.059","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1532506","11.387","0.003","14.883","0.004","24.983","0.006","90","","90","","90","","4233.9","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 Fe O3 P Si4 Sn -","- C37 H56 Fe O3 P Si4 Sn -","- C148 H224 Fe4 O12 P4 Si16 Sn4 -","4","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0741","0.0592","","","0.1244","0.1351","","","","","","1.089","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1532833","8.7278","0.0003","9.6635","0.0004","46.6791","0.0018","90","","90","","90","","3937","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dibenzylammonium (3R,6R)-6-methyl-2-oxopiperidine -3-carboxylate","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C168 H224 N16 O32 -","8","2","","Chung, John Y. L.; Marcune, Benjamin; Strotman, Hallena R.; Petrova, Rositza I.; Moore, Jeffrey C.; Dormer, Peter G.","Synthesis of ((3R,6R)-6-Methylpiperidin-3-yl)methanol via Biocatalytic Transamination and Crystallization-Induced Dynamic Resolution","Organic Process Research & Development","2015","19","10","1418","","10.1021/acs.oprd.5b00259","","x-ray","1.5418","CuKα","","0.0605","0.0507","","","0.1182","0.1216","","","","","","1.043","","","","has coordinates","170096","2020-10-21","18:00:00",""
"1532890","5.74","","4.64","","12.38","","90","","90","","90","","329.724","","","","","","","","","","","","","1","P 21 21 21","P 2ac 2ab","19","","Rb (Be F3)","","- Rb -","- Rb -","- Rb4 -","4","1","","Mil'kova, L.P.; Porai-Koshits, M.A.","Parameters etc.","Izvestiya Akademii Nauk SSSR, Fizika Zemli","1962","26","","368","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533107","5.36","","6.22","","9.64","","90","","90","","90","","321.39","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Te F4","","- F4 Te -","- F4 Te -","- F16 Te4 -","4","1","","Edwards, A.J.; Hewaidy, F.I.","Fluoride Crystal Structures. Part IV. Tellurium Tetrafluoride","Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971)","1968","1968","","2977","2980","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533326","11.536","","12.639","","16.69","","90","","90","","90","","2433.46","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Rb2 Ca (B4 O5 (O H)4)2 (H2 O)8","","- B8 Ca H24 O26 Rb2 -","- B8 Ca H18 O26 Rb2 -","- B32 Ca4 H72 O104 Rb8 -","4","1","","Zhu Lixia; Yue Tao; Gao Shiyang; Hu Mancheng; Yu Kaibei","Crystal structure and characterization of Rb2 Ca (B4 O5 (O H)4)2 * 8(H2 O)","Journal of Molecular Structure","2003","658","","215","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533376","15.0788","0.0004","17.5135","0.0004","19.2065","0.0005","90","","90","","90","","5072.1","0.2","124","2","124","2","","","","","","","Saccharothrix sp. 10-10","3","P 21 21 21","P 2ac 2ab","19","","saccharothrixone D","","- C25.5 H28 O12.5 -","- C25.67 H24.83 O12.33 -","- C205.36 H198.64 O98.64 -","8","2","","Gan, Maoluo; Liu, Bin; Tan, Yi; Wang, Qiang; Zhou, Hongxia; He, Hongwei; Ping, Yuhui; Yang, Zhaoyong; Wang, Yiguang; Xiao, Chunling","Saccharothrixones A-D, Tetracenomycin-Type Polyketides from the Marine-Derived Actinomycete Saccharothrix sp. 10-10.","Journal of natural products","2015","78","9","2260","2265","10.1021/acs.jnatprod.5b00577","","","1.54184","CuKα","","0.0673","0.0637","","","0.1677","0.1713","","","","","","1.086","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1533794","15.041","","15.393","","21.478","","90","","90","","90","","4972.72","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Rb12 Sn17 -","- Rb12 Sn17 -","- Rb48 Sn68 -","4","1","","Hoch, C.; Wendorff, M.; Roehr, C.","Synthesis and crystal structure of the tetrelides A12 M17 (A = Na, K, Rb, Cs; M = Si, Ge, Sn) and A4 B9 (A = K, Rb)","Journal of Alloys Compd.","2003","361","","206","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534095","8.2474","0.0016","12.543","0.003","29.019","0.006","90","","90","","90","","3001.9","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 N0 O8 -","- C32 H40 O8 -","- C128 H160 O32 -","4","1","","Yang, Shanshan; Sun, Jiachen; Lu, Hong; Ma, Hong; Zhang, Yaozhou","Bioactivity-guided isolation of anticancer compounds from Euphorbia lathyris","Anal. Methods","2015","7","22","9568","","10.1039/C5AY02204E","","","0.71073","MoKα","","0.1205","0.0668","","","0.1111","0.126","","","","","","1.019","","","","has coordinates","170917","2020-10-21","18:00:00",""
"1534096","5.1904","0.0007","9.7263","0.0012","29.581","0.003","90","","90","","90","","1493.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C64 H64 Br4 N4 O8 -","4","1","","Pathipati, Stalin R.; Singh, Vipender; Eriksson, Lars; Selander, Nicklas","Lewis Acid Catalyzed Annulation of Nitrones with Oxiranes, Aziridines, and Thiiranes.","Organic letters","2015","17","18","4506","4509","10.1021/acs.orglett.5b02195","","","0.71073","MoKα","","0.0579","0.0421","","","0.0765","0.0822","","","","","","1.099","","","","has coordinates","160449","2020-10-21","18:00:00",""
"1534119","11.4428","0.0007","15.4354","0.0009","24.3994","0.0015","90","","90","","90","","4309.5","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H45 N2 O8 -","- C53 H45 N2 O8 -","- C212 H180 N8 O32 -","4","1","","Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.","Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.","Organic letters","2015","17","18","4440","4443","10.1021/acs.orglett.5b02085","","","0.71073","MoKα","","0.1268","0.056","","","0.121","0.1458","","","","","","0.986","","","","has coordinates","160471","2020-10-21","18:00:00",""
"1534129","7.6287","0.0009","11.5801","0.0013","20.615","0.002","90","","90","","90","","1821.2","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O4 -","- C23 H19 N O4 -","- C92 H76 N4 O16 -","4","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0565","0.0391","","","0.0765","0.0829","","","","","","1.059","","","","has coordinates","175924","2020-10-21","18:00:00",""
"1534178","6.2194","","9.3139","","12.529","","90","","90","","90","","725.766","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hg (Br O3)2 (H2 O)2","","- Br2 H4 Hg O8 -","- Br2 Hg O8 -","- Br8 Hg4 O32 -","4","1","","Aurivillius, K.; Stalhandske, C.","X-Ray Studies on the Mercury(II) Bromates K2 Hg (Br O3)2 (N O3)2 and Hg (Br O3)2 (H2 O)2","Acta Chemica Scandinavica, Series A: (28,1974-)","1981","35","","537","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534204","8.52","","8.17","","4.61","","90","","90","","90","","320.895","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H2 (Se O4)","","- H2 O4 Se -","- O4 Se -","- O16 Se4 -","4","1","","Bailey, M.; Wells, A.F.","The structures of inorganic oxy-acids: The crystal structure of selenious acid","Journal of the Chemical Society","1951","1951","","968","973","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534260","6.651","","7.12","","17.35","","90","","90","","90","","821.611","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","K (Au (C N)4) (H2 O)","","- C4 H2 Au K N4 O -","- C4 H2 Au K N4 O -","- C16 H8 Au4 K4 N16 O4 -","4","1","","Bertinotti, C.; Bertinotti, A.","Determination de la structure cristalline de l'auricyanure de potassium monohydrate par la diffraction des rayons X.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie B","1968","267","","1227","1229","","","","","","","","","","","","","","","","","","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"1534352","5.08911","0.00007","12.09583","0.00013","32.4406","0.0004","90","","90","","90","","1996.95","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Boc-L-Leu-L-Cys(Me)-OMe","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C64 H120 N8 O20 S4 -","4","1","","Mazzier, Daniela; Carraro, Francesco; Crisma, Marco; Rancan, Marzio; Toniolo, Claudio; Moretto, Alessandro","A terminally protected dipeptide: from crystal structure and self-assembly, through co-assembly with carbon-based materials, to a ternary catalyst for reduction chemistry in water.","Soft matter","2015","12","1","238","245","10.1039/c5sm02189h","","","1.54178","CuKα","","0.0406","0.0391","","","0.1077","0.1091","","","","","","1.035","","","","has coordinates,has disorder","176211","2020-10-21","18:00:00",""
"1534476","7.296","","10.295","","20.166","","90","","90","","90","","1514.71","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Rb Nb (Si O3) O2","","- Nb O5 Rb Si -","- Nb O5 Rb Si -","- Nb12 O60 Rb12 Si12 -","12","3","","Genkina, E.A.; Belokoneva, E.L.; Maksimov, B.A.; Mill', B.V.; Butashin, A.V.","Synthesis and crystal structure of new double silicate RbNbSiO5=Rb3Nb3(Si3O9)O6","Kristallografiya","1992","37","","606","611","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534543","10.668","","10.712","","11.333","","90","","90","","90","","1295.09","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S Cl3) (U Cl6)","","- Cl9 S U -","- Cl9 S U -","- Cl36 S4 U4 -","4","1","","Sawodny, W.; Rediess, K.; Thewalt, U.","Die Reaktion von U(V)-und U(VI)-Verbindungen mit S O Cl2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1983","499","","81","88","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534660","12.3572","","17.2354","","18.1337","","90","","90","","90","","3862.14","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ba2 Sn Se5","","- Ba2 Se5 Sn -","- Ba2 Se5 Sn -","- Ba32 Se80 Sn16 -","16","4","","Assoud, A.; Kleinke, H.; Soheilnia, N.","The new semiconducting polychalcogenide Ba2 Sn Se5 exhibiting Se3(2-) units and distorted Sn Se6 octahedra","Journal of Solid State Chemistry","2005","178","","1087","1093","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534665","7.087","","9.09","","9.014","","90","","90","","90","","580.689","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K (H C N2)","","- C H K N2 -","- C H K N2 -","- C8 H8 K8 N16 -","8","2","","Schnick, W.; Huppertz, H.","Darstellung, Kristallstruktur und Eigenschaften von Kaliumhydrogencyanamid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1995","621","","1703","1707","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534666","7.9612","","10.3444","","11.7798","","90","","90","","90","","970.112","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cs2 Sn Si3 O9","","- Cs2 O9 Si3 Sn -","- Cs2 O9 Si3 Sn -","- Cs8 O36 Si12 Sn4 -","4","1","","Lo, F.-R.; Lii, K.-H.","High-temperature, high-pressure hydrothermal synthesis and characterization of a new framework stannosilicate: Cs2 Sn Si3 O9","Journal of Solid State Chemistry","2005","178","","1017","1022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534900","7.481","","13.429","","6.991","","90","","90","","90","","702.332","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(N H4)2 (Se2 O5)","","- H8 N2 O5 Se2 -","- H8 N2 O5 Se2 -","- H32 N8 O20 Se8 -","4","1","","Makarova, I.P.; Vinogradova, I.S.; Muradyan, L.A.; Sarin, V.A.; Rider, E.E.; Simonov, V.I.","Structural phase transition in (N H4)2 Se2 O5 crystals","Kristallografiya","1990","35","","889","893","","","","","","","","","","","","","","","","","","","","","","has coordinates","161968","2020-10-21","18:00:00",""
"1534944","7.821","","15.49","","18.247","","90","","90","","90","","2210.57","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Se4.85 Te3.152) (W O Cl4)2","","- Cl8 O2 Se4.85 Te3.152 W2 -","- Cl8 O2 Se4.85 Te3.15 W2 -","- Cl32 O8 Se19.4 Te12.6 W8 -","4","1","","Beck, J.; Schloerb, T.","Polymers in the form of linked rings - a novel type of structures for chalcogen polycations. The crystal structures of (Se4.85 Te3.15) (W O Cl4)2 and (Se4 Te3) (W O Cl4)2","Phosphorus, Sulfur, Silicon and Related Elements","1997","124","","125","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","162026","2020-10-21","18:00:00",""
"1534960","5.876","","11.688","","12.899","","90","","90","","90","","885.886","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Na Ba Nd (Ge3 O9)","","- Ba Ge3 Na Nd O9 -","- Ba Ge3 Na Nd O9 -","- Ba4 Ge12 Na4 Nd4 O36 -","4","1","","Malinovskii, Yu.A.; Belokoneva, E.L.; Dem'yanets, L.N.","Crystal structure of NaBaNd(Ge3O9)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1991","32","","90","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535014","9.816","","10.33","","15.161","","90","","90","","90","","1537.31","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Cs2 (B12 F12) (H2 O)","","- Cs2 O -","- Cs2 O -","- Cs8 O4 -","4","1","","Solntsev, K.A.; Mebel, A.M.; Votinova, N.A.; Kuznetsov, N.T.; Charkin, O.P.","Polyhedral anion (B12 H12)2- as a space-aromatic system.","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","340","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535016","9.338","","10.298","","14.943","","90","","90","","90","","1436.96","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cs2 (B12 H5 F7.09) (H2 O)","","- B12 Cs2 F7.09 H7 O -","- B12 Cs2 F7.09 H3 O -","- B48 Cs8 F28.36 H12 O4 -","4","1","","Solntsev, K.A.; Charkin, O.P.; Mebel, A.M.; Kuznetsov, N.T.; Votinova, N.A.","Polyhedral anion (B12 H12)2- as a space-aromatic system.","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1992","18","","340","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535045","6.3432","","6.6673","","17.684","","90","","90","","90","","747.892","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cs Dy (Si S4)","","- Cs Dy S4 Si -","- Cs Dy S4 Si -","- Cs4 Dy4 S16 Si4 -","4","1","","Hartenbach, I.; Schleid, T.","Thiosilicate der Selten-Erd-Elemente: II.Die nichtzentrosymmetrischen Caesium-Derivate Cs M (Si S4) (M = Sm - Tm)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535046","6.3172","","6.6534","","17.659","","90","","90","","90","","742.223","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cs Er (Si S4)","","- Cs Er S4 Si -","- Cs Er S4 Si -","- Cs4 Er4 S16 Si4 -","4","1","","Hartenbach, I.; Schleid, T.","Thiosilicate der Selten-Erd-Elemente: II.Die nichtzentrosymmetrischen Caesium-Derivate Cs M (Si S4) (M = Sm - Tm)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535047","6.3875","","6.7096","","17.733","","90","","90","","90","","759.993","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cs Eu (Si S4)","","- Cs Eu S4 Si -","- Cs Eu S4 Si -","- Cs4 Eu4 S16 Si4 -","4","1","","Hartenbach, I.; Schleid, T.","Thiosilicate der Selten-Erd-Elemente: II.Die nichtzentrosymmetrischen Caesium-Derivate Cs M (Si S4) (M = Sm - Tm)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535049","6.3746","","6.6977","","17.709","","90","","90","","90","","756.089","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cs Gd (Si S4)","","- Cs Gd S4 Si -","- Cs Gd S4 Si -","- Cs4 Gd4 S16 Si4 -","4","1","","Hartenbach, I.; Schleid, T.","Thiosilicate der Selten-Erd-Elemente: II.Die nichtzentrosymmetrischen Caesium-Derivate Cs M (Si S4) (M = Sm - Tm)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535052","6.3269","","6.6571","","17.671","","90","","90","","90","","744.281","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cs Ho (Si S4)","","- Cs Ho S4 Si -","- Cs Ho S4 Si -","- Cs4 Ho4 S16 Si4 -","4","1","","Hartenbach, I.; Schleid, T.","Thiosilicate der Selten-Erd-Elemente: II.Die nichtzentrosymmetrischen Caesium-Derivate Cs M (Si S4) (M = Sm - Tm)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535055","6.4031","","6.7269","","17.775","","90","","90","","90","","765.623","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cs Sm (Si S4)","","- Cs S4 Si Sm -","- Cs S4 Si Sm -","- Cs4 S16 Si4 Sm4 -","4","1","","Hartenbach, I.; Schleid, T.","Thiosilicate der Selten-Erd-Elemente: II.Die nichtzentrosymmetrischen Caesium-Derivate Cs M (Si S4) (M = Sm - Tm)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535057","6.3506","","6.6798","","17.692","","90","","90","","90","","750.508","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cs Tb (Si S4)","","- Cs S4 Si Tb -","- Cs S4 Si Tb -","- Cs4 S16 Si4 Tb4 -","4","1","","Hartenbach, I.; Schleid, T.","Thiosilicate der Selten-Erd-Elemente: II.Die nichtzentrosymmetrischen Caesium-Derivate Cs M (Si S4) (M = Sm - Tm)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535060","6.3028","","6.6473","","17.629","","90","","90","","90","","738.595","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cs Tm (Si S4)","","- Cs S4 Si Tm -","- Cs S4 Si Tm -","- Cs4 S16 Si4 Tm4 -","4","1","","Hartenbach, I.; Schleid, T.","Thiosilicate der Selten-Erd-Elemente: II.Die nichtzentrosymmetrischen Caesium-Derivate Cs M (Si S4) (M = Sm - Tm)","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","394","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535177","5.3252","","9.1603","","10.046","","90","","90","","90","","490.048","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Gd2 (Te O6)","","- Gd2 O6 Te -","- Gd2 O6 Te -","- Gd8 O24 Te4 -","4","1","","Meier, S.F.; Schleid, T.","Synthesis and crystal structure of Gd2 Te O6","Journal of Solid State Chemistry","2003","171","","408","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535270","16.573","","17.51","","10.144","","90","","90","","90","","2943.72","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Al6.3 B88 -","- Al6.295 B88 -","- Al25.18 B352 -","4","1","","Higashi, I.","Aluminium Distribution in the Boron Framework of gamma Al B12","Journal of Solid State Chemistry","1983","47","","333","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535485","8.5416","","8.1807","","4.6233","","90","","90","","90","","323.059","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H2 Se O4","","- H2 O4 Se -","- H2 O4 Se -","- H8 O16 Se4 -","4","1","","Moodenbaugh, A.R.; Hurst, J.J.; Hartt, J.E.; Youngblood, R.W.; Cox, D.E.; Frazer, B.C.","Neutron diffraction study of oolycrystalline H2 S O4 and H2 Se O4","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","28","","3501","3505","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535551","9.3599","","9.879","","16.014","","90","","90","","90","","1480.76","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Os2 (C O)8 Cl2)","","- C8 Cl2 O8 Os2 -","- C8 Cl2 O8 Os2 -","- C32 Cl8 O32 Os8 -","4","1","","Moss, J.R.; Niven, M.L.; Sutton, E.E.","Di- and tri-nuclear osmium carbonyl chloride complexes: x-ray structures of Os2 (C O)8 Cl2 and Os3 (C O)12 Cl2","Transition Metal Chemistry","1988","13","","429","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","162959","2020-10-21","18:00:00",""
"1535657","14.115","","5.811","","4.881","","90","","90","","90","","400.351","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ba Mn F5","","- Ba F5 Mn -","- Ba F5 Mn -","- Ba4 F20 Mn4 -","4","1","","Bukovec, P.; Hoppe, R.","Zur Kenntnis von Ba Mn F5: Eine Jahn-Teller-verzerrte Variante von Ba Ga F5","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","509","","138","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535816","10.207","","13.241","","7.174","","90","","90","","90","","969.572","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K2 (Zr0.86 Ti0.14) (Si3 O9) (H2 O)","","- K2 O10 Si3 Zr0.86 -","- K2 O10 Si3 Zr0.86 -","- K8 O40 Si12 Zr3.44 -","4","1","","Ilyushin, G.D.","New data on the crystal structure of umbite K2 Zr Si3 O9 * H2 O","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1993","29","","971","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","163290","2020-10-21","18:00:00",""
"1535823","5.096","","10.554","","12.218","","90","","90","","90","","657.123","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","C (N H2)3 Sb F4","","- C H6 F4 N3 Sb -","- C H6 F4 N3 Sb -","- C4 H24 F16 N12 Sb4 -","4","1","","Udovenko, A.A.; Davidovich, R.L.; Ivanov, S.B.; Antipin, M.Yu.; Struchkov, Yu.T.","Crystal structure of tetrafluoroantimonate(III) guanidinium at 297 and 153 K","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1990","16","","448","452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536095","27.627","","27.627","","20.613","","90","","90","","90","","15732.9","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Ta97 Te60 -","- Ta97 Te60 -","- Ta388 Te240 -","4","1","","Conrad, M.; Harbrecht, B.","Ta97 Te60: a crystalline approximant of a tantalum telluride quasicrystal with twelvefold rotational symmetry","Chemistry - A European Journal","2000","8","","3094","3102","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536214","4.9115","","10.3167","","14.1073","","90","","90","","90","","714.824","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cs (H Si3 O7)","","- Cs H O7 Si3 -","- Cs H O7 Si3 -","- Cs4 H4 O28 Si12 -","4","1","","Wang, X.; Liu, L.; Huang, J.; Jacobson, A.J.","Synthesis, structure and properties of Cs H Si3 O7, a layered silicate with a chiral structure","Journal of Solid State Chemistry","2004","177","","2499","2505","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536217","5.041","","10.507","","13.924","","90","","90","","90","","737.496","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H2 (Si3 O7) (H2 O)","","- H4 O8 Si3 -","- O8 Si3 -","- O32 Si12 -","4","1","","Wang, X.; Jacobson, A.J.; Huang, J.; Liu, L.","Synthesis, structure and properties of Cs H Si3 O7, a layered silicate with a chiral structure","Journal of Solid State Chemistry","2004","177","","2499","2505","","","","","","","","","","","","","","","","","","","","","","has coordinates","163851","2020-10-21","18:00:00",""
"1536246","6.5913","","11.1596","","12.1368","","90","","90","","90","","892.738","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sc2 (Se O3)3 (H2 O)","","- H2 O10 Sc2 Se3 -","- O10 Sc2 Se3 -","- O40 Sc8 Se12 -","4","1","","Johnston, M.G.; Harrison, W.T.A.","Syntheses and structures of three new scandium selenites: Sc2 (Se O3)3.H2 O, Sc2 (Se O3)3.3H2 O and Cs Se3 (Sc3 O3)4 (H Se O3)2.2H2 O","Journal of Solid State Chemistry","2004","177","","4316","4324","","","","","","","","","","","","","","","","","","","","","","has coordinates","163889","2020-10-21","18:00:00",""
"1536382","7.5994","","9.8106","","13.415","","90","","90","","90","","1000.15","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cs2 (Hg Cl4)","","- Cl4 Cs2 Hg -","- Cl4 Cs2 Hg -","- Cl16 Cs8 Hg4 -","4","1","","Pakhomov, V.I.; Goryunov, A.V.; Ivanova-Korfini, I.N.; Boguslavskii, A.A.; Lotfullin, R.Sh.","On the structure of cesium tetrachloromercurate Cs2HgCl4","Zhurnal Neorganicheskoi Khimii","1992","37","","526","530","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536427","9.0947","","14.2355","","8.3666","","90","","90","","90","","1083.2","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- O18 P4 -","- O18 P4 -","- O72 P16 -","4","1","","Dimitrov, A.; Hunnius, W.D.; Ziemer, B.; Meisel, M.","The first ozonide of a phosphorus oxide - preparation, characterization, and structure of P4 O18","Angew. Chem. Int. ed.","2003","42","","2484","2486","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536443","9.6957","","14.046","","20.238","","90","","90","","90","","2756.13","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Cs (W6 C Cl18) (C H3 O H)","","- C2 H4 Cl18 Cs O W6 -","- C2 H4 Cl18 Cs O W6 -","- C8 H16 Cl72 Cs4 O4 W24 -","4","1","","Weisser, M.; Meyer, H.J.; Stroebele, M.","A synthesis route for carbon-centered triprismo-hexatungsten cluster compounds and the crystal structure of Cs [W6 C Cl18] * (C H3 O H)","Comptes Rendus Chimie","2005","8","","1820","1826","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536591","13.654","","13.475","","6.291","","90","","90","","90","","1157.47","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Na P O3)4 (H2 O)","","- H2 Na4 O13 P4 -","- H2 Na4 O13 P4 -","- H8 Na16 O52 P16 -","4","1","","Wiench, D.M.; Jansen, M.","Untersuchungen an Tetranatrium-cyclo-tetraphosphat(V) und seinen Hydraten","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","1983","114","","699","709","","","","","","","","","","","","","","","","","","","","","","has coordinates","164358","2020-10-21","18:00:00",""
"1536695","12.481","","9.452","","13.831","","90","","90","","90","","1631.65","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Na3 (P O2 S2) (H2 O)11","","- H22 Na3 O13 P S2 -","- H22 Na3 O13 P S2 -","- H88 Na12 O52 P4 S8 -","4","1","","Pompetzki, M.; Jansen, M.","Crystal structures of Na3 P O2 S2 * 11(H2 O) and Na3 P O S3 * 11(H2 O)","Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-)","2002","133","","975","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536961","8.031","","6.699","","10.616","","90","","90","","90","","571.137","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K2 (Ru O3 (O H)2)","","- H2 K2 O5 Ru -","- H2 K2 O5 Ru -","- H8 K8 O20 Ru4 -","4","1","","Fischer, D.; Hoppe, R.","Zur Konstitution von Alkaliruthenaten(VI): 2. Ueber den Aufbau von K2 (Ru O3 (O H)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","601","","41","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537029","4.953","","8.7","","16.767","","90","","90","","90","","722.508","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N H4 (V O (S O4)2)","","- H4 N O9 S2 V -","- N O9 S2 V -","- N4 O36 S8 V4 -","4","1","","Richter, K.; Mattes, R.","Darstellung, Ramanspektren und Kristallstrukturen von V2O3(SO4)2, K(VO(SO4)2) und NH4(VO(SO4)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","611","","158","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537033","4.953","","8.696","","16.27","","90","","90","","90","","700.77","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K (V O (S O4)2)","","- K O9 S2 V -","- K O9 S2 V -","- K4 O36 S8 V4 -","4","1","","Richter, K.; Mattes, R.","Darstellung, Ramanspektren und Kristallstrukturen von V2O3(SO4)2, K(VO(SO4)2) und NH4(VO(SO4)2)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","611","","158","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537541","11.38","","12.95","","6.76","","90","","90","","90","","996.228","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","K (Co (N H3)2 (N O2)4)","","- Co H6 K N6 O8 -","- Co H6 K N6 O8 -","- Co4 H24 K4 N24 O32 -","4","1","","Komiyama, Yoshimichi","The crystal structure of potassium tetranitro-diammine-cobaltate(III), K[Co(NH~3~)~2~(NO~2~)~4~]","Bulletin of the Chemical Society of Japan","1956","29","3","300","304","10.1246/bcsj.29.300","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1537702","7.412","","9.011","","9.741","","90","","90","","90","","650.597","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ba (V O3)2 H2 O","","- Ba H2 O7 V2 -","- Ba O7 V2 -","- Ba4 O28 V8 -","4","1","","Avtamonova, N.V.; Trunov, V.K.; Zhuravlev, V.D.","Die Kristallstruktur von Ba (V O3)2 H2 O.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1988","24","","1172","1175","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538308","11.983","","8.267","","4.332","","90","","90","","90","","429.143","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ce O S O4 H2 O","","- Ce H2 O6 S -","- Ce O6 S -","- Ce4 O24 S4 -","4","1","","Lundgren, G.","The crystal structure of Ce O S O4 H2 O","Arkiv foer Kemi","1953","6","","59","75","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538313","9.5","","14.66","","3.38","","90","","90","","90","","470.733","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H N O3 (H2 O)3","","- H7 N O6 -","- N O6 -","- N4 O24 -","4","1","","Luzzati, V.","Structure cristalline de l'acide nitrique a trois molecules d'eau.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1951","232","","1428","1430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538419","9.7566","0.0002","19.1985","0.0004","27.6028","0.0005","90","","90","","90","","5170.34","0.18","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24.5 H27 Br2 Cl O6 -","- C24.5 H27 Br2 Cl O6 -","- C196 H216 Br16 Cl8 O48 -","8","2","","Hans, Marcus; Charpentier, Maël; Huch, Volker; Jauch, Johann; Bruhn, Torsten; Bringmann, Gerhard; Quandt, Dietmar","Stereoisomeric Composition of Natural Myrtucommulone A.","Journal of natural products","2015","78","10","2381","2389","10.1021/acs.jnatprod.5b00358","","","0.71073","MoKα","","0.0487","0.0436","","","0.1275","0.1305","","","","","","1.097","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1539112","12.148","","10.244","","4.34","","90","","90","","90","","540.087","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- As Br3 -","- As Br3 -","- As4 Br12 -","4","1","","Singh, A.K.; Swaminathan, S.","The crystal and molecular structure of arsenic tribromide at -10 C","Current Science","1964","33","","429","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539293","10.2","","11.77","","6.99","","90","","90","","90","","839.177","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Co (N H3)3 (N O2)3","","- Co H9 N6 O6 -","- Co H9 N6 O6 -","- Co4 H36 N24 O24 -","4","1","","Tanito, Yoshimichi; Saito, Yoshihiko; Kuroya, Hisao","The Crystal Structure of Trinitrotriammine-cobalt (III), [Co(NH~3~)~3~(NO~2~)~3~]","Bulletin of the Chemical Society of Japan","1952","25","3","188","191","10.1246/bcsj.25.188","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1539946","9.15","","6","","5.05","","90","","90","","90","","277.245","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H2 (Se O3)","","- H2 O3 Se -","- O3 Se -","- O12 Se4 -","4","1","","Wells, A.F.; Bailey, M.","The structures of inorganic oxy-acids: The crystal structure of selenious acid","Journal of the Chemical Society","1949","1949","","1282","1288","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539966","8.475","","8.471","","14.319","","90","","90","","90","","1027.99","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Na2 Al3 (O H)2 (P O4)3","","- Al3 H2 Na2 O14 P3 -","- Al3 H2 Na2 O14 P3 -","- Al12 H8 Na8 O56 P12 -","4","1","","Yakubovich, O.V.; Dimitrova, O.V.; Urusov, V.S.","Crystal structure of a new microporous alumophosphate Na2 [Al3 (O H)2 (P O4)3]","Doklady Akad. Nauk","2003","390","","39","45","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540216","17.44","","17.44","","17.44","","90","","90","","90","","5304.44","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Cd8 In14 Se27 -","- Cd8 In14 Se27 -","- Cd32 In56 Se108 -","4","1","","Kawano, S.; Ueda, I.","The fundamental structure and the superstructure of Cd In2 Se4","Memoirs of the faculty of science, Kyushu Unuesity, Series B: Physics","1967","3","","127","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540374","6.2372","0.0009","11.1508","0.0016","28.596","0.004","90","","90","","90","","1988.8","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O6 S -","- C16 H26 N2 O6 S -","- C64 H104 N8 O24 S4 -","4","1","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.1194","0.0509","","","0.1157","0.1467","","","","","","0.976","","","","has coordinates","170828","2020-10-21","18:00:00",""
"1540375","6.282","0.002","9.924","0.004","24.859","0.01","90","","90","","90","","1549.8","1","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O6 -","- C13 H21 N O6 -","- C52 H84 N4 O24 -","4","1","","Berini, Christophe; Sebban, Muriel; Oulyadi, Hassan; Sanselme, Morgane; Levacher, Vincent; Brière, Jean-François","Organocatalyzed Multicomponent Synthesis of Isoxazolidin-5-ones.","Organic letters","2015","17","21","5408","5411","10.1021/acs.orglett.5b02755","","x-ray","0.71073","MoKα","","0.1392","0.0587","","","0.1363","0.1637","","","","","","0.958","","","","has coordinates","170828","2020-10-21","18:00:00",""
"1540412","8.7794","0.0003","14.6701","0.0004","37.5122","0.001","90","","90","","90","","4831.4","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O2 Se -","- C29 H24 N2 O2 Se -","- C232 H192 N16 O16 Se8 -","8","2","","Chang, Wong-Jin; Kulkarni, Manohar V.; Sun, Chung-Ming","Regioselective one-pot three component synthesis of chiral 2-iminoselenazolines under sonication","RSC Advances","2015","5","118","97113","97120","10.1039/C5RA18763J","","","0.71073","MoKα","","0.0453","0.035","","","0.0679","0.0708","","","","","","1.011","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1540419","14.15","0.0004","14.3631","0.0003","24.5735","0.0004","90","","90","","90","","4994.27","0.19","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H73 Cl2 N2 P Ru -","- C56 H73 Cl2 N2 P Ru -","- C224 H292 Cl8 N8 P4 Ru4 -","4","1","","Yu, Baoyi; Luo, Zhixiong; Hamad, Fatma B.; Leus, Karen; van Hecke, Kristof; Verpoort, Francis","Effect of the bulkiness of indenylidene moieties on the catalytic initiation and efficiency of second-generation ruthenium-based olefin metathesis catalysts","Catal. Sci. Technol.","2016","6","7","2092","","10.1039/C5CY01506E","","","1.5418","CuKα","","0.0762","0.0488","","","0.0703","0.0795","","","","","","0.905","","","","has coordinates","181521","2020-10-21","18:00:00",""
"1540426","7.0833","0.0001","13.9608","0.0001","31.0735","0.0003","90","","90","","90","","3072.81","0.06","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 O15 -","- C32 H32 O15 -","- C128 H128 O60 -","4","1","","Wu, Guangwei; Yu, Guihong; Kurtán, Tibor; Mándi, Attila; Peng, Jixing; Mo, Xiaomei; Liu, Ming; Li, Hui; Sun, Xinhua; Li, Jing; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Versixanthones A-F, Cytotoxic Xanthone-Chromanone Dimers from the Marine-Derived Fungus Aspergillus versicolor HDN1009.","Journal of natural products","2015","78","11","2691","2698","10.1021/acs.jnatprod.5b00636","","","1.54184","CuKα","","0.0389","0.0348","","","0.1008","0.1048","","","","","","1.044","","","","has coordinates","170805","2020-10-21","18:00:00",""
"1540450","6.049","0.0005","14.0088","0.0016","27.989","0.003","90","","90","","90","","2371.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Adduct of N-methylimidazole and 2-([1,1'-biphenyl]-4-yl)benzo[d][1,3,2]dioxaborole","","- C29 H27 B N2 O2 -","- C29 H27 B N2 O2 -","- C116 H108 B4 N8 O8 -","4","1","","Luisier, N.; Scopelliti, R.; Severin, K.","Supramolecular gels based on boronate esters and imidazolyl donors.","Soft matter","2016","12","2","588","593","10.1039/c5sm02298c","","","0.71073","MoKα","","0.1215","0.0722","","","0.1474","0.1723","","","","","","1.109","","","","has coordinates","176210","2020-10-21","18:00:00",""
"1540468","5.616","0.0008","13.1439","0.0019","22.937","0.002","90","","90","","90","","1693.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O -","- C20 H16 Br N O -","- C80 H64 Br4 N4 O4 -","4","1","","Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran","Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect","Chem. Sci.","2015","","","","","10.1039/C5SC03739E","","","0.71073","MoKα","","0.1018","0.0634","","","0.1317","0.1615","","","","","","1.098","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540475","6.1323","0.0003","7.4365","0.0004","33.4178","0.0017","90","","90","","90","","1523.95","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","1.54178","CuKα","","0.0441","0.0403","","","0.1114","0.115","","","","","","1.036","","","","has coordinates","170800","2020-10-21","18:00:00",""
"1540478","7.3552","0.0002","13.6032","0.0004","17.2196","0.0005","90","","90","","90","","1722.89","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","1.54178","CuKα","","0.051","0.0384","","","0.0885","0.0943","","","","","","1.038","","","","has coordinates","170800","2020-10-21","18:00:00",""
"1540479","5.9065","0.0003","7.9113","0.0003","32.9027","0.0014","90","","90","","90","","1537.48","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","x-ray","1.54178","CuKα","","0.0444","0.0436","","","0.1316","0.1323","","","","","","1.091","","","","has coordinates","170800","2020-10-21","18:00:00",""
"1540480","6.0722","0.0002","8.115","0.0003","29.7039","0.001","90","","90","","90","","1463.69","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","","1.54178","CuKα","","0.0304","0.0289","","","0.0817","0.0924","","","","","","1.159","","","","has coordinates","170800","2020-10-21","18:00:00",""
"1540484","7.5426","0.0001","12.0156","0.0002","17.4134","0.0003","90","","90","","90","","1578.16","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung","γ- and δ-Lactams from the Leaves of Clausena lansium.","Journal of natural products","2015","78","11","2521","2530","10.1021/acs.jnatprod.5b00148","","","1.54178","CuKα","","0.0274","0.027","","","0.0692","0.0697","","","","","","1.045","","","","has coordinates","170800","2020-10-21","18:00:00",""
"1540485","10.278","0.002","15.524","0.004","18.474","0.004","90","","90","","90","","2947.6","1.1","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl O3 P2 Pd -","- C29 H39 Cl O3 P2 Pd -","- C116 H156 Cl4 O12 P8 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0372","0.0363","","","0.1018","0.1027","","","","","","1.06","","","","has coordinates","175917","2020-10-21","18:00:00",""
"1540490","7.6689","0.0005","10.2286","0.0006","22.608","0.0014","90","","90","","90","","1773.42","0.19","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","","Du, Kun; De Mieri, Maria; Neuburger, Markus; Zietsman, Pieter C.; Marston, Andrew; van Vuuren, Sandy F.; Ferreira, Daneel; Hamburger, Matthias; van der Westhuizen, Jan H.","Labdane and Clerodane Diterpenoids from Colophospermum mopane.","Journal of natural products","2015","78","10","2494","2504","10.1021/acs.jnatprod.5b00729","","","1.54178","CuKα","","0.0306","0.0304","","0.0292","0.0289","0.0292","","","","","","0.954","","","","has coordinates","170020","2020-10-21","18:00:00",""
"1540491","14.0499","0.0007","17.2599","0.0009","31.2403","0.0016","90","","90","","90","","7575.8","0.7","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C320 H512 O48 -","16","4","","Du, Kun; De Mieri, Maria; Neuburger, Markus; Zietsman, Pieter C.; Marston, Andrew; van Vuuren, Sandy F.; Ferreira, Daneel; Hamburger, Matthias; van der Westhuizen, Jan H.","Labdane and Clerodane Diterpenoids from Colophospermum mopane.","Journal of natural products","2015","78","10","2494","2504","10.1021/acs.jnatprod.5b00729","","","1.54178","CuKα","","0.0436","0.0424","","0.0413","0.0389","0.0378","","","","","","0.9664","","","","has coordinates","170021","2020-10-21","18:00:00",""
"1540500","6.182","0.005","8.842","0.007","26.31","0.02","90","","90","","90","","1438","2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O3 S -","- C15 H14 N2 O3 S -","- C60 H56 N8 O12 S4 -","4","1","","Kondoh, Azusa; Ota, Yusuke; Komuro, Takazumi; Egawa, Fuyuki; Kanomata, Kyohei; Terada, Masahiro","Chiral Brønsted acid-catalyzed enantioselective Friedel‒Crafts reaction of 2-methoxyfuran with aliphatic ketimines generated in situ","Chem. Sci.","2016","7","2","1057","","10.1039/C5SC03175C","","","0.71075","MoKα","","0.0322","0.0308","","","0.0748","0.076","","","","","","1.07","","","","has coordinates","175909","2020-10-21","18:00:00",""
"1540518","9.568","0.004","14.645","0.004","21.564","0.006","90","","90","","90","","3021.6","1.7","93","","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 N O Si -","- C38 H35 N O Si -","- C152 H140 N4 O4 Si4 -","4","1","","Shintani, Ryo; Takano, Ryo; Nozaki, Kyoko","Rhodium-catalyzed asymmetric synthesis of silicon-stereogenic silicon-bridged arylpyridinones","Chem. Sci.","2016","7","2","1205","","10.1039/C5SC03767K","","","1.54187","CuKα","","0.0735","0.0721","","","0.1856","0.1881","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540524","11.0875","0.001","14.3476","0.0013","23.495","0.002","90","","90","","90","","3737.6","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H50 N O14 -","- C38 H50 N O14 -","- C152 H200 N4 O56 -","4","1","","Reis, Mariana A.; André, Vânia; Duarte, M. Teresa; Lage, Hermann; Ferreira, Maria-José U","12,17-Cyclojatrophane and Jatrophane Constituents of Euphorbia welwitschii.","Journal of natural products","2015","78","11","2684","2690","10.1021/acs.jnatprod.5b00631","","","0.71069","MoKα","","0.1524","0.0661","","","0.1244","0.1521","","","","","","0.998","","","","has coordinates","170802","2020-10-21","18:00:00",""
"1540526","7.2341","0.0001","12.0603","0.0002","19.2403","0.0003","90","","90","","90","","1678.63","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","","Li, Tian-Xiao; Yang, Ming-Hua; Wang, Xiao-Bing; Wang, Ying; Kong, Ling-Yi","Synergistic Antifungal Meroterpenes and Dioxolanone Derivatives from the Endophytic Fungus Guignardia sp.","Journal of natural products","2015","78","11","2511","2520","10.1021/acs.jnatprod.5b00008","","","1.54184","CuKα","","0.0392","0.0358","","","0.094","0.0978","","","","","","1.051","","","","has coordinates","170803","2020-10-21","18:00:00",""
"1540527","5.6679","0.0001","13.4355","0.0002","18.1813","0.0003","90","","90","","90","","1384.53","0.04","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H21 N3 O5 -","- C11 H21 N3 O5 -","- C44 H84 N12 O20 -","4","1","","Zheng, Xiu-Mian; Meng, Fan-Wang; Geng, Fang; Qi, Meng; Luo, Cheng; Yang, Li; Wang, Zheng-Tao","Plantadeprate A, a Tricyclic Monoterpene Zwitterionic Guanidium, and Related Derivatives from the Seeds of Plantago depressa.","Journal of natural products","2015","78","11","2822","2826","10.1021/acs.jnatprod.5b00368","","","1.54178","CuKα","","0.0293","0.0284","","","0.0761","0.0773","","","","","","1.064","","","","has coordinates","170806","2020-10-21","18:00:00",""
"1540559","6.8195","0.0012","8.3525","0.0014","20.053","0.003","90","","90","","90","","1142.2","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N -","- C15 H13 N -","- C60 H52 N4 -","4","1","","Kanchupalli, Vinaykumar; Joseph, Desna; Katukojvala, Sreenivas","Pyridazine N-Oxides as Precursors of Metallocarbenes: Rhodium-Catalyzed Transannulation with Pyrroles.","Organic letters","2015","17","23","5878","5881","10.1021/acs.orglett.5b03064","","","0.71073","MoKα","","0.0858","0.0449","","","0.1181","0.1538","","","","","","0.943","","","","has coordinates","170832","2020-10-21","18:00:00",""
"1540579","7.9683","0.0002","12.0495","0.0003","25.4584","0.0005","90","","90","","90","","2444.36","0.1","118","2","118","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","O-(4-nitrobenzyl)-(R)-1k","","- C26 H29 F3 N2 O5 -","- C26 H29 F3 N2 O5 -","- C104 H116 F12 N8 O20 -","4","1","","Ozawa, Jun; Tashiro, Masayuki; Ni, Jizhi; Oisaki, Kounosuke; Kanai, Motomu","Chemo- and regioselective oxygenation of C(sp3)‒H bonds in aliphatic alcohols using a covalently bound directing activator and atmospheric oxygen","Chem. Sci.","2016","7","3","1904","","10.1039/C5SC04476F","","","1.54187","CuKα","","0.1456","0.0905","","","0.2223","0.3199","","","","","","1.111","","","","has coordinates","177725","2020-10-21","18:00:00",""
"1540589","13.3478","0.0004","15.5479","0.0004","17.2278","0.0005","90","","90","","90","","3575.29","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H47 N2 O5 Yb -","- C40 H47 N2 O5 Yb -","- C160 H188 N8 O20 Yb4 -","4","1","","Decortes, Antonello; Haak, Robert M.; Martín, Carmen; Belmonte, Marta Martínez; Martin, Eddy; Benet-Buchholz, Jordi; Kleij, Arjan W.","Copolymerization of CO2and Cyclohexene Oxide Mediated by Yb(salen)-Based Complexes","Macromolecules","2015","48","22","8197","","10.1021/acs.macromol.5b01880","","","0.71073","MoKα","","0.0265","0.0248","","","0.0606","0.0616","","","","","","1.02","","","","has coordinates","170735","2020-10-21","18:00:00",""
"1540595","8.1024","0.0011","11.3536","0.0015","14.828","0.002","90","","90","","90","","1364","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-4-(4-methoxyphenyl)-4-phenyl-1,2,3-oxathiazolidine 2,2-dioxide","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","","Kong, Jongrock; McLaughlin, Mark; Belyk, Kevin; Mondschein, Ryan","Enantioselective Rh(I)-Catalyzed Addition of Arylboronic Acids to Cyclic Ketimines.","Organic letters","2015","17","22","5520","5523","10.1021/acs.orglett.5b02032","","x-ray","1.54184","CuKα","","0.022","0.0218","","","0.0582","0.0588","","","","","","1.032","","","","has coordinates","170744","2020-10-21","18:00:00",""
"1540596","8.1709","0.0002","8.6771","0.0002","25.4706","0.0006","90","","90","","90","","1805.86","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6R,7S)-5-(3-Nitro-1-(3-bromophenyl)2-phenylpropyl)-2-furfural","","- C20 H16 Br N O4 -","- C20 H16 Br N O4 -","- C80 H64 Br4 N4 O16 -","4","1","","Skrzyńska, Anna; Przydacz, Artur; Albrecht, Łukasz","Organocatalytic Nonclassical Trienamine Activation in the Remote Alkylation of Furan Derivatives.","Organic letters","2015","17","22","5682","5685","10.1021/acs.orglett.5b02979","","","1.54178","CuKα","","0.0206","0.0201","","","0.0532","0.0536","","","","","","1.051","","","","has coordinates","170745","2020-10-21","18:00:00",""
"1540599","7.2793","0.0007","12.9826","0.0013","18.8537","0.0019","90","","90","","90","","1781.8","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O3 -","- C23 H17 N O3 -","- C92 H68 N4 O12 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mohanta, Prakash Ranjan; Patel, Bhisma K.","Ruthenium(II) Catalyzed Regiospecific C-H/O-H Annulations of Directing Arenes via Weak Coordination.","Organic letters","2015","17","22","5678","5681","10.1021/acs.orglett.5b02967","","","0.71073","MoKα","","0.0674","0.0418","","","0.0816","0.0893","","","","","","1.012","","","","has coordinates","170748","2020-10-21","18:00:00",""
"1540606","8.7469","0.0002","13.4624","0.0003","24.6866","0.0005","90","","90","","90","","2906.95","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O3 S2 -","- C12 H17 N O3 S2 -","- C96 H136 N8 O24 S16 -","8","2","","Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H.","Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters.","Organic letters","2015","17","22","5614","5617","10.1021/acs.orglett.5b02838","","","1.54178","CuKα","","0.0237","0.0231","","","0.0606","0.061","","","","","","1.08","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540607","5.9251","0.0001","14.3949","0.0003","17.8151","0.0004","90","","90","","90","","1519.47","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Marsini, Maurice A.; Reeves, Jonathan T.; Desrosiers, Jean-Nicolas; Herbage, Melissa A.; Savoie, Jolaine; Li, Zhibin; Fandrick, Keith R.; Sader, C. Avery; McKibben, Bryan; Gao, Donghong A.; Cui, Jianwen; Gonnella, Nina C.; Lee, Heewon; Wei, Xudong; Roschangar, Frank; Lu, Bruce Z.; Senanayake, Chris H.","Diastereoselective Synthesis of α-Quaternary Aziridine-2-carboxylates via Aza-Corey-Chaykovsky Aziridination of N-tert-Butanesulfinyl Ketimino Esters.","Organic letters","2015","17","22","5614","5617","10.1021/acs.orglett.5b02838","","","1.54178","CuKα","","0.0257","0.0253","","","0.0637","0.0641","","","","","","1.097","","","","has coordinates","170757","2020-10-21","18:00:00",""
"1540661","15.7714","0.001","17.0164","0.0011","18.6084","0.0012","90","","90","","90","","4994","0.6","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H73 N3 Ni O -","- C56 H73 N3 Ni O -","- C224 H292 N12 Ni4 O4 -","4","1","","Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.","Near-IR absorbing donor‒acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)","Chem. Sci.","2016","7","3","1807","","10.1039/C5SC02703A","","","0.71073","MoKα","","0.0531","0.0387","","","0.0789","0.0839","","","","","","1.024","","","","has coordinates","177730","2020-10-21","18:00:00",""
"1540688","8.28899","0.00019","11.8587","0.0002","15.3047","0.0003","90","","90","","90","","1504.4","0.05","98.8","","98.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C60 H104 O16 -","4","1","","Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng","Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions.","Journal of natural products","2015","78","12","3058","3066","10.1021/acs.jnatprod.5b00969","","","1.5418","CuKα","","0.0359","0.035","","","0.0921","0.0929","","","","","","1.053","","","","has coordinates","173583","2020-10-21","18:00:00",""
"1540689","6.30022","0.0001","15.0054","0.0002","23.3482","0.0008","90","","90","","90","","2207.28","0.09","100.1","","100.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O6 -","- C24 H32 O6 -","- C96 H128 O24 -","4","1","","Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng","Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions.","Journal of natural products","2015","78","12","3058","3066","10.1021/acs.jnatprod.5b00969","","","1.5418","CuKα","","0.0417","0.0391","","","0.1001","0.103","","","","","","1.031","","","","has coordinates","173583","2020-10-21","18:00:00",""
"1540690","10.0518","0.0002","13.1222","0.0002","21.7957","0.0005","90","","90","","90","","2874.89","0.1","100.1","","100.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41.41 O8.71 -","- C32 H41.422 O8.711 -","- C128 H165.688 O34.844 -","4","1","","Zhang, Jinyu; Liu, Ling; Wang, Bo; Zhang, Yang; Wang, Lili; Liu, Xingzhong; Che, Yongsheng","Phomanolides A and B from the Fungus Phoma sp.: Meroterpenoids Derived from a Putative Tropolonic Sesquiterpene via Hetero-Diels-Alder Reactions.","Journal of natural products","2015","78","12","3058","3066","10.1021/acs.jnatprod.5b00969","","","1.5418","CuKα","","0.0372","0.0365","","","0.0939","0.0945","","","","","","1.049","","","","has coordinates","173583","2020-10-21","18:00:00",""
"1540691","7.3761","0.0002","8.0325","0.0005","24.6298","0.0014","90","","90","","90","","1459.28","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Kim, Dong-Cheol; Quang, Tran Hong; Ngan, Nguyen Thi Thanh; Yoon, Chi-Su; Sohn, Jae Hak; Yim, Joung Han; Feng, Yu; Che, Yongsheng; Kim, Youn-Chul; Oh, Hyuncheol","Dihydroisocoumarin Derivatives from Marine-Derived Fungal Isolates and Their Anti-inflammatory Effects in Lipopolysaccharide-Induced BV2 Microglia.","Journal of natural products","2015","78","12","2948","2955","10.1021/acs.jnatprod.5b00614","","","1.54184","CuKα","","0.0375","0.0347","","","0.087","0.09","","","","","","1.054","","","","has coordinates","173584","2020-10-21","18:00:00",""
"1540696","9.0359","0.0003","10.9281","0.0004","15.2645","0.0005","90","","90","","90","","1507.3","0.09","93","0.1","93","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O5 S -","- C12 H21 N O5 S -","- C48 H84 N4 O20 S4 -","4","1","","Hakamata, Wataru; Koyama, Ryosuke; Tanida, Mizuki; Haga, Tomomi; Hirano, Takako; Akao, Makoto; Kumagai, Hitomi; Nishio, Toshiyuki","A Simple Synthesis of Alliin and allo-Alliin: X-ray Diffraction Analysis and Determination of Their Absolute Configurations.","Journal of agricultural and food chemistry","2015","63","50","10778","10784","10.1021/acs.jafc.5b05501","","","1.54178","","","0.027","0.025","","","0.0611","0.0621","","","","","","1.063","","","","has coordinates,has disorder","173582","2020-10-21","18:00:00",""
"1540710","8.464","0.0003","15.4214","0.0005","19.4594","0.0007","90","","90","","90","","2539.97","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O9 -","- C26 H30 O9 -","- C104 H120 O36 -","4","1","","Wang, Wei-Guang; Li, Ao; Yan, Bing-Chao; Niu, Shu-Bin; Tang, Jian-Wei; Li, Xiao-Nian; Du, Xue; Challis, Gregory L.; Che, Yongsheng; Sun, Han-Dong; Pu, Jian-Xin","LC-MS-Guided Isolation of Penicilfuranone A: A New Antifibrotic Furancarboxylic Acid from the Plant Endophytic Fungus Penicillium sp. sh18.","Journal of natural products","2016","79","1","149","155","10.1021/acs.jnatprod.5b00814","","","1.54178","CuKα","","0.054","0.0521","","","0.1648","0.1741","","","","","","1.046","","","","has coordinates","175791","2020-10-21","18:00:00",""
"1540719","9.617","0.011","16.2","0.019","37.85","0.05","90","","90","","90","","5897","12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","chemosensor S2","","- C61 H44 Cl3 N7 O11 -","- C61 H44 Cl3 N7 O11 -","- C244 H176 Cl12 N28 O44 -","4","1","","Akdeniz, Ali; Minami, Tsuyoshi; Watanabe, Sagiri; Yokoyama, Maki; Ema, Tadashi; Anzenbacher, Pavel","Determination of enantiomeric excess of carboxylates by fluorescent macrocyclic sensors","Chem. Sci.","2016","7","3","2016","","10.1039/C5SC04235F","","","0.71075","MoKα","","0.2332","0.1267","","","0.2376","0.2814","","","","","","1.369","","","","has coordinates","177727","2020-10-21","18:00:00",""
"1540723","11.738","0.003","13.856","0.003","17.106","0.003","90","","90","","90","","2782.1","1.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 O4 -","- C31 H48 O4 -","- C124 H192 O16 -","4","1","","Xu, Jing; Kang, Jing; Sun, Xiaocong; Cao, Xiangrong; Rena, Kasimu; Lee, Dongho; Ren, Quanhui; Li, Shen; Ohizumi, Yasushi; Guo, Yuanqiang","Di- and Triterpenoids from the Leaves of Casearia balansae and Neurite Outgrowth Promoting Effects of PC12 Cells.","Journal of natural products","2016","79","1","170","179","10.1021/acs.jnatprod.5b00815","","","1.54187","CuKα","","0.0501","0.0424","","","0.1094","0.1145","","","","","","1.028","","","","has coordinates","175793","2020-10-21","18:00:00",""
"1540729","6.7581","0.0002","11.4548","0.0003","23.3157","0.0006","90","","90","","90","","1804.93","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Paucidirinine","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.","Journal of natural products","2016","79","1","230","239","10.1021/acs.jnatprod.5b00992","","","0.71073","MoKα","","0.043","0.0361","","","0.0885","0.0994","","","","","","1.073","","","","has coordinates","175792","2020-10-21","18:00:00",""
"1540730","6.662","0.0004","9.811","0.0005","34.444","0.0018","90","","90","","90","","2251.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Paucidirisine","","","- C25 H28 Cl2 N2 O3 -","- C25 H28 Cl2 N2 O3 -","- C100 H112 Cl8 N8 O12 -","4","1","","Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.","Journal of natural products","2016","79","1","230","239","10.1021/acs.jnatprod.5b00992","","","0.71073","MoKα","","0.1258","0.06","","","0.1277","0.1664","","","","","","0.853","","","","has coordinates","175792","2020-10-21","18:00:00",""
"1540731","8.4666","0.0003","12.1895","0.0004","16.9938","0.0006","90","","90","","90","","1753.82","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-19(R)-hydroxy-O-ethylisoeburnamine","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","","Yap, Wai-Sum; Gan, Chew-Yan; Sim, Kae-Shin; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Aspidofractinine and Eburnane Alkaloids from a North Borneo Kopsia. Ring-Contracted, Additional Ring-Fused, and Paucidactine-Type Aspidofractinine Alkaloids from K. pauciflora.","Journal of natural products","2016","79","1","230","239","10.1021/acs.jnatprod.5b00992","","","0.71073","MoKα","","0.111","0.0603","","","0.0997","0.1151","","","","","","1.022","","","","has coordinates","175792","2020-10-21","18:00:00",""
"1540737","8.8043","0.0013","11.5507","0.0016","24.957","0.003","90","","90","","90","","2538","0.6","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 Br O4 -","- C10 H17 Br O4 -","- C80 H136 Br8 O32 -","8","2","","Shim, Su Yong; Kim, Jae Yeon; Nam, Miso; Hwang, Geum-Sook; Ryu, Do Hyun","Enantioselective Cyclopropanation with α-Alkyl-α-diazoesters Catalyzed by Chiral Oxazaborolidinium Ion: Total Synthesis of (+)-Hamavellone B.","Organic letters","2016","18","2","160","163","10.1021/acs.orglett.5b02970","","","0.71073","MoKα","","0.0729","0.0362","","","0.0595","0.0687","","","","","","1.022","","","","has coordinates","175813","2020-10-21","18:00:00",""
"1540760","7.126","","16.539","","6.762","","90","","90","","90","","796.948","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ce (H2 P O3) (H P O3) (H2 O)2","","- Ce H7 O8 P2 -","- Ce H2 O8 P2 -","- Ce4 H8 O32 P8 -","4","1","","Zhang, Y.; Hu, H.; Clearfield, A.","The crystal structures of two lanthanide phosphites and the geometry of metal phosphite complexes","Inorganica Chimica Acta","1992","193","","35","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540805","9.456","","9.621","","9.965","","90","","90","","90","","906.578","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Al2 (N H4) (P O4)2 F","","- Al2 F O8 P2 -","- Al2 F O8 P2 -","- Al8 F4 O32 P8 -","4","1","","Yu, L.; Pang, W.","Studies on the synthesis and structure of a new type of aluminophosphate molecular sieves (AlPO4-CJ2)","Gaodeng Xuexiao Huaxue Xuebao","1991","12","","1137","1140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540983","5.0686","","6.4796","","8.6326","","90","","90","","90","","283.516","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","(N O) (N O2)","","- N2 O3 -","- N2 O3 -","- N8 O12 -","4","1","","Simon, A.; Obermeyer, A.; Horakh, J.; Borrmann, H.","Kristalline Stickstoffoxide - Struktur von N2O3 mit einer Anmerkung zur Struktur von N2O5","Angewandte Chemie (German Edition)","1992","104","","325","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","172176","2020-10-21","18:00:00",""
"1541000","11.081","","10.507","","6.761","","90","","90","","90","","787.17","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Na (In Br4)","","- Br4 In Na -","- Br4 In Na -","- Br16 In4 Na4 -","4","1","","Staffel, T.; Meyer, G.","Synthese und Kristallstrukturen von Na In Br4 und Na In I4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","574","","107","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541002","5.492","","5.841","","7.66","","90","","90","","90","","245.723","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H (I O3)","","- H I O3 -","- H I O3 -","- H4 I4 O12 -","4","1","","Stahl, K.; Szafranski, M.","A single-crystal neutron difraction study of HIO3 at 295 and 30 K and of DIO3 at 295 K","Acta Chemica Scandinavica (43,1989-)","1992","46","","1146","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541070","5.221","","9.029","","9.915","","90","","90","","90","","467.397","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Y2 (W O6)","","- O6 W Y2 -","- O6 W Y2 -","- O24 W4 Y8 -","4","1","","Tyulin, A.V.; Efremov, V.A.; Trunov, V.K.","Polymorphism of oxytungstates T R2 W O6. Mechanisms of structural changes in Y2 W O6","Kristallografiya","1989","34","","885","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541883","7.2942","0.0011","12.3961","0.0018","13.909","0.002","90","","90","","90","","1257.6","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene","Chem. Sci.","2016","7","4","2717","","10.1039/C5SC03658E","","","0.71073","MoKα","","0.0328","0.0308","","","0.0738","0.0751","","","","","","1.024","","","","has coordinates","181578","2020-10-21","18:00:00",""
"1541886","10.7215","0.0007","13.536","0.0007","19.0499","0.0012","90","","90","","90","","2764.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Au N O P -","- C28 H43 Au N O P -","- C112 H172 Au4 N4 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0378","0.0358","","","0.0658","0.0666","","","","","","1.321","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541914","7.4335","0.0015","12.118","0.002","14.438","0.003","90","","90","","90","","1300.6","0.4","100","2","100","2","","","","","","","Schomaker Lab No. CSA8084","5","P 21 21 21","P 2ac 2ab","19","","'4-ethyl-5-hydroxy-4-(-2-hydroxy-3-methylbut-3 -en-2-yl)-1,2,3-oxathiazepane 2,2-dioxide'","","- C11 H21 N O5 S -","- C11 H21 N O5 S -","- C44 H84 N4 O20 S4 -","4","1","","Gerstner, Nels C.; Adams, Christopher S.; Grigg, R. David; Tretbar, Maik; Rigoli, Jared W.; Schomaker, Jennifer M.","Diastereoselective Synthesis of the Aminocyclitol Core of Jogyamycin via an Allene Aziridination Strategy.","Organic letters","2016","18","2","284","287","10.1021/acs.orglett.5b03453","","x-ray","1.54178","CuKα","K-L~3~","0.0283","0.0277","","","0.0729","0.0733","","","","","","1.035","","","","has coordinates","175821","2020-10-21","18:00:00",""
"1541923","9.4078","0.0008","9.4698","0.0008","26.64","0.002","90","","90","","90","","2373.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 O4 S -","- C28 H32 O4 S -","- C112 H128 O16 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0368","0.0321","","","0.0781","0.0806","","","","","","1.033","","","","has coordinates","177442","2020-10-21","18:00:00",""
"1541927","5.6186","0.0006","8.359","0.0008","37.132","0.003","90","","90","","90","","1743.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 O3 S -","- C19 H19 F3 O3 S -","- C76 H76 F12 O12 S4 -","4","1","","Chang, Meng-Yang; Cheng, Yu-Chieh","Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol.","Organic letters","2016","18","3","608","611","10.1021/acs.orglett.5b03696","","","0.71073","MoKα","","0.0461","0.0388","","","0.0853","0.0961","","","","","","1.085","","","","has coordinates,has disorder","177442","2020-10-21","18:00:00",""
"1542267","6.9902","0.0015","10.327","0.002","18.799","0.004","90","","90","","90","","1357.1","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O4 S -","- C15 H11 N O4 S -","- C60 H44 N4 O16 S4 -","4","1","","Lai, Bo-Nan; Qiu, Jian-Feng; Zhang, Heng-Xia; Nie, Jing; Ma, Jun-An","Stereoselective Synthesis of Fused Aziridines via One-Pot Sequential Decarboxylative Mannich Reaction and Oxidative C-H Amination of Cyclic Imines with β-Ketoacids.","Organic letters","2016","18","3","520","523","10.1021/acs.orglett.5b03551","","","0.71073","MoKα","","0.0386","0.0342","","","0.0878","0.0914","","","","","","1.088","","","","has coordinates","177444","2020-10-21","18:00:00",""
"1542286","9.9794","0.001","14.104","0.0015","19.268","0.002","90","","90","","90","","2712","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 N4 O7 -","- C27 H40 N4 O7 -","- C108 H160 N16 O28 -","4","1","","Almeida, Celso; Maddah, Fayrouz El; Kehraus, Stefan; Schnakenburg, Gregor; König, Gabriele M","Endolides A and B, Vasopressin and Serotonin-Receptor Interacting N-Methylated Peptides from the Sponge-Derived Fungus Stachylidium sp.","Organic letters","2016","18","3","528","531","10.1021/acs.orglett.5b03553","","","0.71073","MoKα","","0.1047","0.0768","","","0.2138","0.2404","","","","","","1.019","","","","has coordinates,has disorder","177448","2020-10-21","18:00:00",""
"1542304","6.955","0.0003","10.6206","0.0004","23.9572","0.001","90","","90","","90","","1769.63","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C76 H96 N8 O4 -","4","1","","Pan, Zhiqiang; Qin, Xu-Jie; Liu, Ya-Ping; Wu, Ting; Luo, Xiao-Dong; Xia, Chengfeng","Alstoscholarisines H-J, Indole Alkaloids from Alstonia scholaris: Structural Evaluation and Bioinspired Synthesis of Alstoscholarisine H.","Organic letters","2016","18","4","654","657","10.1021/acs.orglett.5b03583","","","1.54178","CuKα","","0.0806","0.0779","","","0.2095","0.2165","","","","","","1.184","","","","has coordinates","177433","2020-10-21","18:00:00",""
"1542305","8.0376","0.0008","12.1437","0.0013","32.747","0.003","90","","90","","90","","3196.3","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C152 H192 N16 O8 -","8","2","","Pan, Zhiqiang; Qin, Xu-Jie; Liu, Ya-Ping; Wu, Ting; Luo, Xiao-Dong; Xia, Chengfeng","Alstoscholarisines H-J, Indole Alkaloids from Alstonia scholaris: Structural Evaluation and Bioinspired Synthesis of Alstoscholarisine H.","Organic letters","2016","18","4","654","657","10.1021/acs.orglett.5b03583","","","0.71073","MoKα","","0.0601","0.0443","","","0.1078","0.1195","","","","","","1.065","","","","has coordinates","177433","2020-10-21","18:00:00",""
"1542306","6.22509","0.00005","17.41592","0.00017","26.9154","0.0002","90","","90","","90","","2918.05","0.04","277.74","0.1","277.74","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 O9 Se -","- C31 H30 O9 Se -","- C124 H120 O36 Se4 -","4","1","","McDonagh, Anthony W.; Mahon, Mary F.; Murphy, Paul V.","Lewis Acid Induced Anomerization of Se-Glycosides. Application to Synthesis of α-Se-GalCer.","Organic letters","2016","18","3","552","555","10.1021/acs.orglett.5b03591","","x-ray","1.54184","CuKα","","0.0284","0.0267","","","0.0641","0.065","","","","","","1.063","","","","has coordinates","177445","2020-10-21","18:00:00",""
"1542310","5.327","0.003","15.367","0.01","19.69","0.012","90","","90","","90","","1611.8","1.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl2 N O5 S -","- C16 H11 Cl2 N O5 S -","- C64 H44 Cl8 N4 O20 S4 -","4","1","","Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata","Directing group assisted meta-hydroxylation by C‒H activation","Chem. Sci.","2016","7","5","3147","","10.1039/C5SC04060D","","","0.71075","MoKα","","0.0736","0.0659","","","0.153","0.1579","","","","","","1.155","","","","has coordinates","182621","2020-10-21","18:00:00",""
"1542318","11.1378","0.0003","11.3745","0.0002","13.5667","0.0003","90","","90","","90","","1718.72","0.07","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C80 H128 O8 -","4","1","","Barton, Naomi A.; Marsh, Benjamin J.; Lewis, William; Narraidoo, Nathalie; Seymour, Graham B.; Fray, Rupert; Hayes, Christopher J.","Accessing low-oxidation state taxanes: is taxadiene-4(5)-epoxide on the taxol biosynthetic pathway?","Chem. Sci.","2016","7","5","3102","","10.1039/C5SC03463A","","x-ray","1.54184","CuKα","","0.0397","0.0391","","","0.1065","0.1074","","","","","","1.044","","","","has coordinates","182623","2020-10-21","18:00:00",""
"1542351","6.6373","0.0003","9.5044","0.0004","27.3003","0.0011","90","","90","","90","","1722.2","0.13","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 B N Si -","- C18 H28 B N Si -","- C72 H112 B4 N4 Si4 -","4","1","","Yuan, Kang; Suzuki, Naoya; Mellerup, Soren K.; Wang, Xiang; Yamaguchi, Shigehiro; Wang, Suning","Pyridyl Directed Catalyst-Free trans-Hydroboration of Internal Alkynes.","Organic letters","2016","18","4","720","723","10.1021/acs.orglett.5b03698","","","0.71073","MoKα","","0.0394","0.0351","","","0.0802","0.0826","","","","","","1.063","","","","has coordinates","177440","2020-10-21","18:00:00",""
"1542370","4.5729","0.0005","14.7748","0.0014","19.072","0.002","90","","90","","90","","1288.6","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H11 N O2 -","- C19 H11 N O2 -","- C76 H44 N4 O8 -","4","1","","Manjappa, Kiran B.; Syu, Jia-Ru; Yang, Ding-Yah","Visible-Light-Promoted and Yb(OTf)3-Catalyzed Constructions of Coumarin-Pyrrole-(Iso)quinoline-Fused Pentacycles: Synthesis of Lamellarin Core, Lamellarin D Trimethyl Ether, and Lamellarin H.","Organic letters","2016","18","2","332","335","10.1021/acs.orglett.5b03524","","x-ray","0.71073","MoKα","","0.0913","0.0602","","","0.1096","0.1249","","","","","","1.015","","","","has coordinates","175731","2020-10-21","18:00:00",""
"1542377","12.6023","0.0003","13.271","0.0004","15.6239","0.0005","90","","90","","90","","2613.02","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N5 O5 -","- C28 H31 N5 O5 -","- C112 H124 N20 O20 -","4","1","","Yu, Guihong; Zhou, Guoliang; Zhu, Meilin; Wang, Wei; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Neosartoryadins A and B, Fumiquinazoline Alkaloids from a Mangrove-Derived Fungus Neosartorya udagawae HDN13-313.","Organic letters","2016","18","2","244","247","10.1021/acs.orglett.5b02964","","","1.54184","CuKα","","0.0385","0.0356","","","0.0939","0.0971","","","","","","1.04","","","","has coordinates","175738","2020-10-21","18:00:00",""
"1542379","9.4307","0.0005","15.3888","0.0008","35.4348","0.0018","90","","90","","90","","5142.6","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25.5 H25 Cl3 N2 O3 S -","- C25.5 H25 Cl3 N2 O3 S -","- C204 H200 Cl24 N16 O24 S8 -","8","2","","He, Qun; Wu, Liang; Kou, Xuezhen; Butt, Nicholas; Yang, Guoqiang; Zhang, Wanbin","Pd(II)-Catalyzed Asymmetric Addition of Arylboronic Acids to Isatin-Derived Ketimines.","Organic letters","2016","18","2","288","291","10.1021/acs.orglett.5b03458","","","1.54178","CuKα","","0.0315","0.0314","","","0.0954","0.0956","","","","","","0.902","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542383","10.3434","0.0004","17.047","0.0008","30.5673","0.0013","90","","90","","90","","5389.7","0.4","100.9","","100.9","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H71 Cl3 O8 -","- C62 H71 Cl3 O8 -","- C248 H284 Cl12 O32 -","4","1","","Li, Chuang-Jun; Ma, Jie; Sun, Hua; Zhang, Dan; Zhang, Dong-Ming","Guajavadimer A, a Dimeric Caryophyllene-Derived Meroterpenoid with a New Carbon Skeleton from the Leaves of Psidium guajava.","Organic letters","2016","18","2","168","171","10.1021/acs.orglett.5b03117","","","1.54184","CuKα","","0.0512","0.048","","","0.1283","0.1314","","","","","","1.036","","","","has coordinates","175743","2020-10-21","18:00:00",""
"1542385","6.4131","0.0002","14.8983","0.0007","32.7256","0.0014","90","","90","","90","","3126.7","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O7 -","- C34 H44 O7 -","- C136 H176 O28 -","4","1","","Cao, Jia-Qing; Huang, Xiao-Jun; Li, Yu-Ting; Wang, Ying; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Callistrilones A and B, Triketone-Phloroglucinol-Monoterpene Hybrids with a New Skeleton from Callistemon rigidus.","Organic letters","2016","18","1","120","123","10.1021/acs.orglett.5b03360","","","1.54184","CuKα","","0.0628","0.0585","","","0.15","0.1624","","","","","","1.124","","","","has coordinates","175745","2020-10-21","18:00:00",""
"1542394","6.2177","0.0003","16.6885","0.0007","41.8862","0.0015","90","","90","","90","","4346.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CI-759.F1","","","- C22 H27 N3 O S -","- C22 H27 N3 O S -","- C176 H216 N24 O8 S8 -","8","2","","Izquierdo, Cristina; Esteban, Francisco; Ruano, José Luis García; Fraile, Alberto; Alemán, José","Asymmetric Synthesis of 1,2-Diamines bearing Tetrasubstituted Centers from Nonstabilized Azomethine Ylides and N-Sulfinylketimines under Brønsted Acid Catalysis.","Organic letters","2016","18","1","92","95","10.1021/acs.orglett.5b03251","","","0.71073","","","0.073","0.0453","","","0.1148","0.1379","","","","","","1.068","","","","has coordinates","175754","2020-10-21","18:00:00",""
"1542395","6.1444","0.0001","12.3333","0.0002","26.7768","0.0004","90","","90","","90","","2029.17","0.06","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","FE0818","","","- C21 H25 N3 O S -","- C21 H25 N3 O S -","- C84 H100 N12 O4 S4 -","4","1","","Izquierdo, Cristina; Esteban, Francisco; Ruano, José Luis García; Fraile, Alberto; Alemán, José","Asymmetric Synthesis of 1,2-Diamines bearing Tetrasubstituted Centers from Nonstabilized Azomethine Ylides and N-Sulfinylketimines under Brønsted Acid Catalysis.","Organic letters","2016","18","1","92","95","10.1021/acs.orglett.5b03251","","","0.71073","","","0.0405","0.0315","","","0.0931","0.1147","","","","","","1.119","","","","has coordinates","175755","2020-10-21","18:00:00",""
"1542398","16.436","0.004","18.645","0.005","19.723","0.005","90","","90","","90","","6044","3","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 Br O U -","- C32 H47 Br O U -","- C256 H376 Br8 O8 U8 -","8","2","","Lichtscheidl, Alejandro; Pagano, Justin; Scott, Brian; Nelson, Andrew; Kiplinger, Jaqueline","Expanding the Chemistry of Actinide Metallocene Bromides. Synthesis, Properties and Molecular Structures of the Tetravalent and Trivalent Uranium Bromide Complexes: (C5Me4R)2UBr2, (C5Me4R)2U(O-2,6-iPr2C6H3)(Br), and [K(THF)][(C5Me4R)2UBr2] (R = Me, Et)","Inorganics","2016","4","1","1","","10.3390/inorganics4010001","","","0.71073","MoKα","","0.0705","0.0416","","","0.0865","0.1004","","","","","","0.991","","","","has coordinates","175830","2020-10-21","18:00:00",""
"1542403","5.9591","0.0012","9.2931","0.0019","55.53","0.011","90","","90","","90","","3075.2","1.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Cl N5 O6 S2 -","- C31 H28 Cl N5 O6 S2 -","- C124 H112 Cl4 N20 O24 S8 -","4","1","","Zhang, Dan-Jie; Xie, Ming-Sheng; Qu, Gui-Rong; Gao, Yao-Wei; Guo, Hai-Ming","Synthesis of Azacyclic Nucleoside Analogues via Asymmetric [3 + 2] Cycloaddition of 9-(2-Tosylvinyl)-9H-purines.","Organic letters","2016","18","4","820","823","10.1021/acs.orglett.6b00108","","","0.71073","MoKα","","0.0619","0.0446","","","0.0882","0.0954","","","","","","1.044","","","","has coordinates","177435","2020-10-21","18:00:00",""
"1542408","7.47301","0.0001","12.0802","0.00015","15.6344","0.0002","90","","90","","90","","1411.4","0.03","100","","100.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-methoxyphenyl 1,3-dihydro-2-benzofuran-1-ylacetate","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Weldy, N. Mace; Schafer, A. G.; Owens, C. P.; Herting, C. J.; Varela-Alvarez, A.; Chen, S.; Niemeyer, Z.; Musaev, D. G.; Sigman, M. S.; Davies, H. M. L.; Blakey, S. B.","Iridium(iii)-bis(imidazolinyl)phenyl catalysts for enantioselective C‒H functionalization with ethyl diazoacetate","Chem. Sci.","2016","7","5","3142","","10.1039/C6SC00190D","","x-ray","1.54178","CuKα","","0.0273","0.027","","","0.0668","0.067","","","","","","1.101","","","","has coordinates","182626","2020-10-21","18:00:00",""
"1542412","10.6146","0.0008","13.7299","0.0011","16.5455","0.0014","90","","90","","90","","2411.3","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 N2 -","- C32 H25 N2 -","- C128 H100 N8 -","4","1","","Han, Ya-Ping; Song, Xian-Rong; Qiu, Yi-Feng; Zhang, Heng-Rui; Li, Lian-Hua; Jin, Dong-Po; Sun, Xiao-Qing; Liu, Xue-Yuan; Liang, Yong-Min","Lewis Acid Catalyzed [4 + 3] Cycloaddition of Propargylic Alcohols with Azides.","Organic letters","2016","18","5","940","","10.1021/acs.orglett.5b03657","","","0.71073","MoKα","","0.065","0.0445","","","0.106","0.1188","","","","","","1.002","","","","has coordinates","177449","2020-10-21","18:00:00",""
"1542423","6.25709","0.0001","16.6261","0.0003","17.4692","0.0002","90","","90","","90","","1817.34","0.05","110","1","110","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N3 Ni O4 -","- C18 H25 N3 Ni O4 -","- C72 H100 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0577","0.0451","","","0.1251","0.1319","","","","","","1.116","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542424","11.065","0.005","13.046","0.006","20.098","0.009","90","","90","","90","","2901","2","100","2","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 N4 Ni O5 -","- C28 H42 N4 Ni O5 -","- C112 H168 N16 Ni4 O20 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0448","0.0354","","","0.0832","0.0879","","","","","","1.042","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542425","6.41635","0.00007","10.31527","0.00011","32.9233","0.0005","90","","90","","90","","2179.07","0.05","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N3 Ni O4 -","- C25 H25 N3 Ni O4 -","- C100 H100 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","1.54184","CuKα","","0.0229","0.0228","","","0.0575","0.0576","","","","","","1.094","","","","has coordinates","185143","2020-10-21","18:00:00",""
"1542426","10.1489","0.00006","12.0802","0.00007","17.62895","0.00014","90","","90","","90","","2161.32","0.02","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N3 Ni O4 -","- C25 H23 N3 Ni O4 -","- C100 H92 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C‒H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","1.54184","CuKα","","0.0208","0.0205","","","0.0526","0.0528","","","","","","1.065","","","","has coordinates,has disorder","185143","2020-10-21","18:00:00",""
"1542439","12.18","0.005","15.448","0.006","22.984","0.01","90","","90","","90","","4325","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29.5 O6 -","- C23 H29.5 O6 -","- C184 H236 O48 -","8","2","","Zhao, Ximei; Xi, Xin; Hu, Zhan; Wu, Wenjun; Zhang, Jiwen","Exploration of Novel Botanical Insecticide Leads: Synthesis and Insecticidal Activity of β-Dihydroagarofuran Derivatives.","Journal of agricultural and food chemistry","2016","64","7","1503","1508","10.1021/acs.jafc.5b05782","","","0.71073","MoKα","","0.1008","0.0566","","","0.1372","0.161","","","","","","1.033","","","","has coordinates","177411","2020-10-21","18:00:00",""
"1542440","8.313","0.002","16.817","0.004","17.345","0.005","90","","90","","90","","2424.8","1.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O6 -","- C25 H38 O6 -","- C100 H152 O24 -","4","1","","Zhao, Ximei; Xi, Xin; Hu, Zhan; Wu, Wenjun; Zhang, Jiwen","Exploration of Novel Botanical Insecticide Leads: Synthesis and Insecticidal Activity of β-Dihydroagarofuran Derivatives.","Journal of agricultural and food chemistry","2016","64","7","1503","1508","10.1021/acs.jafc.5b05782","","","0.71073","MoKα","","0.0555","0.0405","","","0.0823","0.0887","","","","","","1.033","","","","has coordinates","177411","2020-10-21","18:00:00",""
"1542445","8.823","0.0016","9.7832","0.0015","28.016","0.005","90","","90","","90","","2418.3","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37.68 N O4.34 -","- C28 H37 N O4.34 -","- C112 H148 N4 O17.36 -","4","1","","Yan, Bing-Chao; Wang, Wei-Guang; Hu, Dong-Bao; Sun, Xiang; Kong, Ling-Mei; Li, Xiao-Nian; Du, Xue; Luo, Shi-Hong; Liu, Yan; Li, Yan; Sun, Han-Dong; Pu, Jian-Xin","Phomopchalasins A and B, Two Cytochalasans with Polycyclic-Fused Skeletons from the Endophytic Fungus Phomopsis sp. shj2.","Organic letters","2016","18","5","1108","","10.1021/acs.orglett.6b00214","","","1.54178","CuKα","","0.2088","0.1134","","","0.3009","0.3545","","","","","","1.084","","","","has coordinates","177460","2020-10-21","18:00:00",""
"1542496","7.351","0.003","12.452","0.004","13.423","0.005","90","","90","","90","","1228.7","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea","","- C12 H16 N2 O2 S -","- C12 H16 N2 O2 S -","- C48 H64 N8 O8 S4 -","4","1","VM4002","Jamaludin, Nazzatush Shimar; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T.","3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea","IUCrData","2016","1","1","x152457","","10.1107/S2414314615024578","","","0.71073","MoKα","","0.0337","0.0309","","","0.0715","0.0733","","","","","","1.017","","","","has coordinates,has Fobs","177545","2020-10-21","18:00:00",""
"1542501","7.4548","0.0003","10.863","0.0005","19.6508","0.0009","90","","90","","90","","1591.35","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O -","- C17 H20 Br N O -","- C68 H80 Br4 N4 O4 -","4","1","","Jhang, Yuan-Ye; Fan-Chiang, Tai-Ting; Huang, Jun-Min; Hsieh, Jen-Chieh","Copper-Catalyzed Annulation: A Method for the Systematic Synthesis of Phenanthridinium Bromide.","Organic letters","2016","18","5","1154","","10.1021/acs.orglett.6b00269","","","0.71073","MoKα","","0.0509","0.0343","","","0.0667","0.0716","","","","","","0.994","","","","has coordinates","177457","2020-10-21","18:00:00",""
"1542504","5.1565","0.0006","12.4881","0.0009","15.1083","0.0012","90","","90","","90","","972.9","0.15","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-3-nitroquinolin-4(1<i>H</i>)-one","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C44 H40 N8 O12 -","4","1","","Limbach, Daniel; Stengelin, Elena; Schollmeyer, Dieter; Detert, Heiner","1-Ethyl-3-nitroquinolin-4(1<i>H</i>)-one","IUCrData","2016","1","2","x160125","","10.1107/S2414314616001255","","","0.71073","MoKα","","0.0384","0.0331","","","0.0836","0.0879","","","","","","1.048","","","","has coordinates,has Fobs","177482","2020-10-21","18:00:00",""
"1542505","8.877","0.001","14.533","0.002","17.748","0.002","90","","90","","90","","2289.7","0.5","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Limonin","(4a<i>S</i>,14b<i>R</i>)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1<i>H</i>,3<i>H</i>-oxireno[2,3-<i>d</i>]pyrano[4',3':3,3a]isobenzofuro[5,4-<i>f</i>]isochromene-3,8,10(6<i>H</i>,9a<i>H</i>)-trione","","- C26 H30 O8 -","- C26 H30 O8 -","- C104 H120 O32 -","4","1","SU5274","Bauri, A. K.; Foro, Sabine; Nhu, Quynh Nguyen Do","Limonin isolated from the seeds of <i>Citrus limetta</i> (Indian sweet lemon)","IUCrData","2016","1","2","x160172","","10.1107/S2414314616001723","","","1.5418","CuKα","","0.044","0.036","","","0.106","0.1103","","","","","","1.104","","","","has coordinates,has Fobs","177483","2020-10-21","18:00:00",""
"1542517","4.988","0.0003","5.5522","0.0003","24.2578","0.0012","90","","90","","90","","671.8","0.06","298","2","297.95","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Fluoro-1<i>H</i>-indole-2,3-dione","","- C8 H4 F N O2 -","- C8 H4 F N O2 -","- C32 H16 F4 N4 O8 -","4","1","SJ4011","Golen, James A.; Manke, David R.","6-Fluoro-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","2","x160165","","10.1107/S2414314616001656","","","1.54178","CuKα","","0.039","0.0386","","","0.1112","0.1115","","","","","","1.1","","","","has coordinates,has Fobs","177495","2020-10-21","18:00:00",""
"1542523","7.5376","0.0006","10.5784","0.001","23.8774","0.0019","90","","90","","90","","1903.9","0.3","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.1427","0.0645","","","0.0978","0.13","","","","","","1.0032","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1542524","6.1506","0.0018","7.564","0.002","28.362","0.008","90","","90","","90","","1319.5","0.6","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O2 -","- C15 H13 Br O2 -","- C60 H52 Br4 O8 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.56086","AgKα","","0.047","0.0357","","","0.0693","0.0739","","","","","","1.003","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542525","8.6911","0.0005","9.1112","0.0004","21.5901","0.001","90","","90","","90","","1709.64","0.15","100.01","0.16","100.01","0.16","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.1907","0.0698","","","0.1552","0.2308","","","","","","0.9793","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1542526","7.0175","0.0004","11.1406","0.0006","11.9874","0.0006","90","","90","","90","","937.16","0.09","110","14","110","14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C48 H40 O8 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.076","0.0521","","","0.1119","0.1312","","","","","","1.067","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542540","8.9771","0.0005","12.868","0.0008","14.5449","0.0009","90","","90","","90","","1680.19","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Caesium tetramethylammonium dodecahydro-<i>closo</i>-dodecaborate monohydrate","","- C4 H26 B12 Cs N O -","- C4 H26 B12 Cs N O -","- C16 H104 B48 Cs4 N4 O4 -","4","1","WM4007","Tiritiris, Ioannis; Schleid, Thomas","Caesium tetramethylammonium dodecahydrido-<i>closo</i>-dodecaborate monohydrate","IUCrData","2016","1","2","x160291","","10.1107/S2414314616002911","","","0.71073","MoKα","","0.0259","0.0241","","","0.0616","0.0628","","","","","","1.054","","","","has coordinates,has Fobs","176884","2020-10-21","18:00:00",""
"1542562","9.7421","0.0002","9.7391","0.0002","16.0471","0.0003","90","","90","","90","","1522.54","0.05","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21.3 N O4.15 -","- C17 H21.3 N O4.15 -","- C68 H85.2 N4 O16.6 -","4","1","","Zhan, Guanqun; Zhou, Junfei; Liu, Rong; Liu, Tingting; Guo, Guoli; Wang, Jianping; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Zhang, Yonghui; Yao, Guangmin","Galanthamine, Plicamine, and Secoplicamine Alkaloids from Zephyranthes candida and Their Anti-acetylcholinesterase and Anti-inflammatory Activities.","Journal of natural products","2016","79","4","760","766","10.1021/acs.jnatprod.5b00681","","","1.54178","CuKα","","0.029","0.0289","","","0.0798","0.0799","","","","","","1.068","","","","has coordinates,has disorder","183579","2020-10-21","18:00:00",""
"1542563","8.0372","0.0001","15.6818","0.0002","22.5648","0.0003","90","","90","","90","","2844.02","0.06","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N O4.5 -","- C16 H22 N O4.5 -","- C128 H176 N8 O36 -","8","2","","Zhan, Guanqun; Zhou, Junfei; Liu, Rong; Liu, Tingting; Guo, Guoli; Wang, Jianping; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Zhang, Yonghui; Yao, Guangmin","Galanthamine, Plicamine, and Secoplicamine Alkaloids from Zephyranthes candida and Their Anti-acetylcholinesterase and Anti-inflammatory Activities.","Journal of natural products","2016","79","4","760","766","10.1021/acs.jnatprod.5b00681","","","1.54178","CuKα","","0.0595","0.044","","","0.1382","0.1976","","","","","","1.163","","","","has coordinates","183579","2020-10-21","18:00:00",""
"1542566","7.9947","0.0002","8.6002","0.0002","24.7362","0.0005","90","","90","","90","","1700.76","0.07","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O5 -","- C18 H27 N O5 -","- C72 H108 N4 O20 -","4","1","","Zhan, Guanqun; Zhou, Junfei; Liu, Rong; Liu, Tingting; Guo, Guoli; Wang, Jianping; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Zhang, Yonghui; Yao, Guangmin","Galanthamine, Plicamine, and Secoplicamine Alkaloids from Zephyranthes candida and Their Anti-acetylcholinesterase and Anti-inflammatory Activities.","Journal of natural products","2016","79","4","760","766","10.1021/acs.jnatprod.5b00681","","","1.54178","CuKα","","0.0558","0.0487","","","0.1348","0.1364","","","","","","1.052","","","","has coordinates","183579","2020-10-21","18:00:00",""
"1542576","7.2935","0.0006","8.8494","0.0008","19.329","0.0017","90","","90","","90","","1247.55","0.19","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Sun, Wang-Bin; Wang, Xuan; Sun, Bing-Feng; Zou, Jian-Ping; Lin, Guo-Qiang","Catalytic Asymmetric Total Synthesis of Hedyosumins A, B, and C.","Organic letters","2016","18","6","1219","1221","10.1021/acs.orglett.6b00150","","","0.71073","MoKα","","0.0468","0.0417","","","0.1092","0.113","","","","","","1.057","","","","has coordinates","181460","2020-10-21","18:00:00",""
"1542577","5.5435","0.0006","7.7426","0.0009","27.879","0.003","90","","90","","90","","1196.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Sun, Wang-Bin; Wang, Xuan; Sun, Bing-Feng; Zou, Jian-Ping; Lin, Guo-Qiang","Catalytic Asymmetric Total Synthesis of Hedyosumins A, B, and C.","Organic letters","2016","18","6","1219","1221","10.1021/acs.orglett.6b00150","","","0.71073","MoKα","","0.0519","0.0497","","","0.1155","0.1179","","","","","","1.065","","","","has coordinates","181460","2020-10-21","18:00:00",""
"1542611","5.0752","0.0001","6.1752","0.0002","30.9217","0.0011","90","","90","","90","","969.1","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H4 Br I O2 -","- C10 H4 Br I O2 -","- C40 H16 Br4 I4 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0313","0.0278","","","0.0486","0.0493","","","","","","1.127","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542639","32.528","0.007","6.026","0.0012","9.305","0.0019","90","","90","","90","","1823.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 F N O5 -","- C16 H28 F N O5 -","- C64 H112 F4 N4 O20 -","4","1","","Hu, Xiang-Guo; Lawer, Aggie; Peterson, Matthew B.; Iranmanesh, Hasti; Ball, Graham E.; Hunter, Luke","Diastereoselective Synthesis and Conformational Analysis of (2R)- and (2S)-Fluorostatines: An Approach Based on Organocatalytic Fluorination of a Chiral Aldehyde.","Organic letters","2016","18","4","662","665","10.1021/acs.orglett.5b03592","","","0.71073","Synchrotron","","0.0643","0.0598","","","0.1423","0.1444","","","","","","1.159","","","","has coordinates","177295","2020-10-21","18:00:00",""
"1542642","8.797","0.0012","12.2522","0.0017","22.914","0.003","90","","90","","90","","2469.7","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O5 S -","- C28 H24 N2 O5 S -","- C112 H96 N8 O20 S4 -","4","1","","Wang, Kai-Kai; Jin, Tian; Huang, Xin; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","α-Regioselective Asymmetric [3 + 2] Annulations of Morita-Baylis-Hillman Carbonates with Cyclic 1-Azadienes and Mechanism Elucidation.","Organic letters","2016","18","4","872","875","10.1021/acs.orglett.6b00189","","","0.71073","MoKα","","0.0478","0.0433","","","0.0993","0.1027","","","","","","1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1542654","5.9263","0.0002","14.358","0.0004","17.7263","0.0006","90","","90","","90","","1508.33","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Sekikawa, Tohru; Kitaguchi, Takayuki; Kitaura, Hayato; Minami, Tatsuya; Hatanaka, Yasuo","Anti-Selective Asymmetric Nitro-Michael Reaction of Furanones: Diastereocontrol by Catalyst.","Organic letters","2016","18","4","646","649","10.1021/acs.orglett.5b03539","","","1.54178","CuKα","","0.0549","0.0475","","","0.1135","0.1198","","","","","","1.155","","","","has coordinates","177303","2020-10-21","18:00:00",""
"1542667","7.8754","0.0001","9.4243","0.0001","32.1424","0.0004","90","","90","","90","","2385.61","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","1","","Wan, Luo-Sheng; Shao, Li-Dong; Fu, Liangbing; Xu, Jun; Zhu, Guo-Lei; Peng, Xing-Rong; Li, Xiao-Nian; Li, Yan; Qiu, Ming-Hua","One-Step Semisynthesis of a Segetane Diterpenoid from a Jatrophane Precursor via a Diels-Alder Reaction.","Organic letters","2016","18","3","496","499","10.1021/acs.orglett.5b03473","","","1.54178","CuKα","","0.0311","0.031","","","0.0814","0.0815","","","","","","1.07","","","","has coordinates","177317","2020-10-21","18:00:00",""
"1542690","10.839","0.005","23.282","0.01","24.36","0.011","90","","90","","90","","6147","5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 Br N2 O -","- C34 H35 Br N2 O -","- C272 H280 Br8 N16 O8 -","8","2","","Li, Xuanyi; Xu, Xiuyan; Wei, Weiwei; Lin, Aijun; Yao, Hequan","Organocatalyzed Asymmetric 1,6-Conjugate Addition of para-Quinone Methides with Dicyanoolefins.","Organic letters","2016","18","3","428","431","10.1021/acs.orglett.5b03471","","","0.71073","MoKα","","0.162","0.0547","","","0.105","0.1408","","","","","","0.958","","","","has coordinates","177339","2020-10-21","18:00:00",""
"1542695","7.8269","0.0015","8.7254","0.0017","23.407","0.005","90","","90","","90","","1598.5","0.6","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Liu, Chenguang; Zeng, Zhixiong; Chen, Renzhi; Jiang, Xunjin; Wang, Yinglu; Zhang, Yandong","Total Synthesis of (+)-Fusarisetin A Driven by a One-Pot Four-Reaction Process.","Organic letters","2016","18","3","624","627","10.1021/acs.orglett.6b00036","","","0.71073","MoKα","","0.0731","0.0617","","","0.1399","0.1466","","","","","","1.085","","","","has coordinates","177344","2020-10-21","18:00:00",""
"1542700","7.6378","0.0005","15.9147","0.0011","18.2712","0.0013","90","","90","","90","","2220.9","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Cl2 F3 N2 O3 -","- C22 H17 Cl2 F3 N2 O3 -","- C88 H68 Cl8 F12 N8 O12 -","4","1","","Li, Xiaoyuan; Su, Jinhuan; Liu, Zhourujun; Zhu, Yuanyuan; Dong, Zhenghao; Qiu, Shuai; Wang, Jiayi; Lin, Li; Shen, Zhiqiang; Yan, Wenjin; Wang, Kairong; Wang, Rui","Synthesis of Chiral α-Trifluoromethylamines with 2,2,2-Trifluoroethylamine as a ""Building Block"".","Organic letters","2016","18","5","956","","10.1021/acs.orglett.5b03566","","","0.71073","MoKα","","0.0436","0.0369","","","0.0924","0.0978","","","","","","1.003","","","","has coordinates","177350","2020-10-21","18:00:00",""
"1542708","7.0953","0.0008","12.6329","0.0015","16.757","0.002","90","","90","","90","","1502","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 F N O4 S -","- C14 H18 F N O4 S -","- C56 H72 F4 N4 O16 S4 -","4","1","","Wu, Liang; Chen, Pinhong; Liu, Guosheng","Pd(II)-Catalyzed Aminofluorination of Alkenes in Total Synthesis 6-(R)-Fluoroswainsonine and 5-(R)-Fluorofebrifugine.","Organic letters","2016","18","5","960","","10.1021/acs.orglett.6b00030","","","0.71073","MoKα","","0.0462","0.0392","","","0.0858","0.0888","","","","","","0.985","","","","has coordinates","177357","2020-10-21","18:00:00",""
"1542710","9.7821","0.0009","10.3912","0.0009","35.968","0.003","90","","90","","90","","3656.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br N O -","- C22 H18 Br N O -","- C176 H144 Br8 N8 O8 -","8","2","","Liu, Zhen-Ting; Wang, Ya-Hui; Zhu, Fu-Lin; Hu, Xiang-Ping","Enantioselective Copper-Catalyzed Formal [4 + 2] Cycloaddition of o-Aminophenol Derivatives with Propargylic Esters for Synthesis of Optically Active 3,4-Dihydro-2H-1,4-benzoxazines.","Organic letters","2016","18","5","1190","","10.1021/acs.orglett.6b00322","","","0.71073","MoKα","","0.1165","0.044","","","0.0815","0.0985","","","","","","0.922","","","","has coordinates","177359","2020-10-21","18:00:00",""
"1542714","8.0564","0.0002","12.2225","0.0004","28.0933","0.0006","90","","90","","90","","2766.33","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O4 -","- C30 H44 O4 -","- C120 H176 O16 -","4","1","","Coffinier, Romain; Assal, Mourad El; Peixoto, Philippe A.; Bosset, Cyril; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Pouységu, Laurent; Quideau, Stéphane","Total Synthesis of (-)-Bacchopetiolone via an Asymmetric Hydroxylative Phenol Dearomatization/[4+2]-Dimerization Cascade Promoted by a Novel Salen-Type Chiral Iodane.","Organic letters","2016","18","5","1120","","10.1021/acs.orglett.6b00224","","","1.54178","CuKα","","0.0887","0.0777","","","0.2234","0.2717","","","","","","1.169","","","","has coordinates","177363","2020-10-21","18:00:00",""
"1542718","6.101","0.002","15.371","0.005","19.086","0.006","90","","90","","90","","1789.9","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O3 S -","- C19 H23 N O3 S -","- C76 H92 N4 O12 S4 -","4","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.049","0.0457","","","0.0813","0.0825","","","","","","1.162","","","","has coordinates","177368","2020-10-21","18:00:00",""
"1542720","8.115","0.002","11.495","0.003","19.441","0.006","90","","90","","90","","1813.5","0.9","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br N O5 S -","- C18 H18 Br N O5 S -","- C72 H72 Br4 N4 O20 S4 -","4","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0341","0.0319","","","0.0642","0.0652","","","","","","1.101","","","","has coordinates","177370","2020-10-21","18:00:00",""
"1542721","7.758","0.005","10.373","0.007","19.137","0.017","90","","90","","90","","1540","2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C64 H76 N4 O16 S4 -","4","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0542","0.0513","","","0.1095","0.1113","","","","","","1.093","","","","has coordinates","177371","2020-10-21","18:00:00",""
"1542722","14.6","0.004","14.941","0.004","16.318","0.004","90","","90","","90","","3559.6","1.6","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br F3 N O4 S -","- C17 H13 Br F3 N O4 S -","- C136 H104 Br8 F24 N8 O32 S8 -","8","2","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0669","0.0588","","","0.1141","0.1206","","","","","","1.12","","","","has coordinates","177372","2020-10-21","18:00:00",""
"1542724","5.4849","0.0014","12.639","0.003","24.563","0.007","90","","90","","90","","1702.8","0.8","223.15","","223.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N4 O3 S -","- C16 H18 N4 O3 S -","- C64 H72 N16 O12 S4 -","4","1","","Pan, Hongjie; Huang, Hu; Liu, Weigang; Tian, Hua; Shi, Yian","Phosphine Oxide-Sc(OTf)3 Catalyzed Highly Regio- and Enantioselective Bromoaminocyclization of (E)-Cinnamyl Tosylcarbamates. An Approach to a Class of Synthetically Versatile Functionalized Molecules.","Organic letters","2016","18","5","896","","10.1021/acs.orglett.5b03459","","","0.71073","MoKα","","0.0493","0.0474","","","0.0993","0.1003","","","","","","1.141","","","","has coordinates","177374","2020-10-21","18:00:00",""
"1542762","5.3218","0.0004","14.7425","0.0008","21.8252","0.0014","90","","90","","90","","1712.33","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 N3 O -","- C20 H31 N3 O -","- C80 H124 N12 O4 -","4","1","","Li, Xiao-Hui; Zhang, Yu; Zhang, Jia-Hui; Li, Xiao-Nian; Cao, Ming-Ming; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Hao, Xiao-Jiang","Myritonines A-C, Alkaloids from Myrioneuron tonkinensis Based on a Novel Hexacyclic Skeleton.","Journal of natural products","2016","79","4","1203","1207","10.1021/acs.jnatprod.5b01130","","","1.54178","CuKα","","0.0922","0.0727","","","0.206","0.2251","","","","","","1.215","","","","has coordinates","183582","2020-10-21","18:00:00",""
"1542763","5.4602","0.0004","17.7085","0.0015","18.1951","0.0015","90","","90","","90","","1759.3","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 N3 -","- C20 H33 N3 -","- C80 H132 N12 -","4","1","","Li, Xiao-Hui; Zhang, Yu; Zhang, Jia-Hui; Li, Xiao-Nian; Cao, Ming-Ming; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Hao, Xiao-Jiang","Myritonines A-C, Alkaloids from Myrioneuron tonkinensis Based on a Novel Hexacyclic Skeleton.","Journal of natural products","2016","79","4","1203","1207","10.1021/acs.jnatprod.5b01130","","","1.54178","CuKα","","0.2544","0.1025","","","0.2314","0.3373","","","","","","0.88","","","","has coordinates","183582","2020-10-21","18:00:00",""
"1542768","11.478","0.003","15.141","0.004","34.706","0.008","90","","90","","90","","6032","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H77 Cl5 K2 N20 O23 Zn -","- C45 H50 Cl5 K2 N20 O12 Zn -","- C180 H200 Cl20 K8 N80 O48 Zn4 -","4","1","","Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua","Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion","Inorganica Chimica Acta","2016","445","","1","7","10.1016/j.ica.2016.01.041","","","0.71073","MoKα","","0.1055","0.0708","","","0.1745","0.1946","","","","","","0.966","","","","has coordinates","178172","2020-10-21","18:00:00",""
"1542769","11.522","0.0016","15.252","0.002","35.056","0.005","90","","90","","90","","6160.5","1.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H75 Cl5 N20 Na2 O22 Zn -","- C45 H50 Cl5 N20 Na2 O12 Zn -","- C180 H200 Cl20 N80 Na8 O48 Zn4 -","4","1","","Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua","Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion","Inorganica Chimica Acta","2016","445","","1","7","10.1016/j.ica.2016.01.041","","","0.71073","MoKα","","0.0729","0.0566","","","0.1547","0.1632","","","","","","1.051","","","","has coordinates","178173","2020-10-21","18:00:00",""
"1542814","7.1564","0.0013","13.369","0.002","15.276","0.003","90","","90","","90","","1461.5","0.4","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Cl N2 O3 S -","- C12 H17 Cl N2 O3 S -","- C48 H68 Cl4 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.2263","0.0896","","","0.0874","0.1141","","","","","","0.968","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542815","7.0957","0.0006","13.128","0.0013","15.3425","0.0018","90","","90","","90","","1429.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O3 S -","- C12 H19 N3 O3 S -","- C48 H76 N12 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.1062","0.0529","","","0.0638","0.0796","","","","","","0.901","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542816","7.156","0.003","13.538","0.005","15.406","0.006","90","","90","","90","","1492.5","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Br N2 O3 S -","- C12 H17 Br N2 O3 S -","- C48 H68 Br4 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0557","0.0398","","","0.0858","0.0931","","","","","","1.025","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542819","7.07","0.0009","12.7624","0.0013","14.977","0.002","90","","90","","90","","1351.4","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.1088","0.0777","","","0.1703","0.1806","","","","","","1.231","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542824","7.1043","0.0005","12.7937","0.001","14.0302","0.0016","90","","90","","90","","1275.2","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O3 S -","- C11 H16 N2 O3 S -","- C44 H64 N8 O12 S4 -","4","1","ZX5004","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals","IUCrJ","2015","2","4","389","401","10.1107/S2052252515004960","","","0.71073","MoKα","","0.0543","0.0466","","","0.1138","0.1201","","","","","","1.059","","","","has coordinates","178181","2020-10-21","18:00:00",""
"1542905","11.5247","0.0006","12.6097","0.0006","18.36","0.001","90","","90","","90","","2668.1","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 O7 -","- C27 H44 O7 -","- C108 H176 O28 -","4","1","","Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui","Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480.","Journal of natural products","2016","79","4","806","811","10.1021/acs.jnatprod.5b00893","","","1.54178","CuKα","","0.0742","0.0534","","","0.1171","0.1312","","","","","","1.018","","","","has coordinates","183584","2020-10-21","18:00:00",""
"1542906","8.4475","0.0007","10.3954","0.0009","24.175","0.002","90","","90","","90","","2122.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O3 -","- C24 H34 O3 -","- C96 H136 O12 -","4","1","","Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui","Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480.","Journal of natural products","2016","79","4","806","811","10.1021/acs.jnatprod.5b00893","","","1.54178","CuKα","","0.1024","0.0589","","","0.1085","0.1332","","","","","","1.009","","","","has coordinates","183584","2020-10-21","18:00:00",""
"1542907","8.6259","0.0005","9.3446","0.0005","27.3784","0.0014","90","","90","","90","","2206.9","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O3 -","- C24 H36 O3 -","- C96 H144 O12 -","4","1","","Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui","Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480.","Journal of natural products","2016","79","4","806","811","10.1021/acs.jnatprod.5b00893","","","1.54178","CuKα","","0.0599","0.0476","","","0.1144","0.123","","","","","","1.048","","","","has coordinates","183584","2020-10-21","18:00:00",""
"1542908","8.0099","0.0005","8.5188","0.0004","35.9835","0.0018","90","","90","","90","","2455.3","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Liu, Hui; Li, Xiao-Ming; Liu, Yang; Zhang, Peng; Wang, Jia-Ning; Wang, Bin-Gui","Chermesins A-D: Meroterpenoids with a Drimane-Type Spirosesquiterpene Skeleton from the Marine Algal-Derived Endophytic Fungus Penicillium chermesinum EN-480.","Journal of natural products","2016","79","4","806","811","10.1021/acs.jnatprod.5b00893","","","1.54178","CuKα","","0.0507","0.0448","","","0.1163","0.1211","","","","","","1.045","","","","has coordinates","183584","2020-10-21","18:00:00",""
"1542909","6.088","0.0007","12.5452","0.0013","23.207","0.002","90","","90","","90","","1772.4","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O2 S3 -","- C17 H19 N3 O2 S3 -","- C68 H76 N12 O8 S12 -","4","1","","Igarashi, Yasuhiro; Asano, Daisuke; Sawamura, Masashi; In, Yasuko; Ishida, Toshimasa; Imoto, Masaya","Ulbactins F and G, Polycyclic Thiazoline Derivatives with Tumor Cell Migration Inhibitory Activity from Brevibacillus sp.","Organic letters","2016","18","7","1658","1661","10.1021/acs.orglett.6b00531","","","0.71069","MoKα","","0.12","0.0998","","","0.2021","0.2117","","","","","","1.21","","","","has coordinates","181444","2020-10-21","18:00:00",""
"1542910","9.8806","0.0014","10.4876","0.0015","17.144","0.003","90","","90","","90","","1776.5","0.5","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O2 S3 -","- C17 H19 N3 O2 S3 -","- C68 H76 N12 O8 S12 -","4","1","","Igarashi, Yasuhiro; Asano, Daisuke; Sawamura, Masashi; In, Yasuko; Ishida, Toshimasa; Imoto, Masaya","Ulbactins F and G, Polycyclic Thiazoline Derivatives with Tumor Cell Migration Inhibitory Activity from Brevibacillus sp.","Organic letters","2016","18","7","1658","1661","10.1021/acs.orglett.6b00531","","","0.71073","MoKα","","0.035","0.0332","","","0.084","0.0861","","","","","","1.094","","","","has coordinates","181444","2020-10-21","18:00:00",""
"1542937","7.7705","0.0005","9.8189","0.0006","21.5478","0.0014","90","","90","","90","","1644.05","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-hexamethylguanidinium 1,1,3,3-tetracyanoprop-2-en-1-ide","","- C14 H19 N7 -","- C14 H19 N7 -","- C56 H76 N28 -","4","1","SJ4016","Tiritiris, Ioannis; Kress, Ralf; Kantlehner, Willi","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-Hexamethylguanidinium 1,1,3,3-tetracyanoprop-2-en-1-ide","IUCrData","2016","1","3","x160478","","10.1107/S2414314616004788","","","0.71073","MoKα","","0.0555","0.0364","","","0.0699","0.0761","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","179699","2020-10-21","18:00:00",""
"1542948","8.6184","0.0002","16.3163","0.0004","17.7667","0.0004","90","","90","","90","","2498.36","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O4 -","- C28 H40 O4 -","- C112 H160 O16 -","4","1","","Yang, Xing-Wei; Li, Yan-Ping; Su, Jia; Ma, Wei-Guang; Xu, Gang","Hyperjapones A-E, Terpenoid Polymethylated Acylphloroglucinols from Hypericum japonicum.","Organic letters","2016","18","8","1876","1879","10.1021/acs.orglett.6b00650","","","1.54178","CuKα","","0.0338","0.0336","","","0.0864","0.0866","","","","","","1.062","","","","has coordinates","182531","2020-10-21","18:00:00",""
"1542957","10.3771","0.0007","13.7178","0.0009","15.7246","0.001","90","","90","","90","","2238.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.039","0.0369","","","0.0955","0.097","","","","","","1.051","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542959","6.763","0.0019","11.797","0.003","28.909","0.008","90","","90","","90","","2306.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N2 O2.5 S -","- C26 H25 N2 O2.5 S -","- C104 H100 N8 O10 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0584","0.0446","","","0.1","0.1057","","","","","","0.959","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542960","8.4047","0.0007","8.8853","0.0008","24","0.002","90","","90","","90","","1792.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0463","0.0373","","","0.0967","0.1019","","","","","","1.049","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542961","11.8055","0.0008","13.0054","0.0009","14.4044","0.001","90","","90","","90","","2211.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0446","0.0394","","","0.0994","0.1036","","","","","","1.042","","","","has coordinates,has disorder","185123","2020-10-21","18:00:00",""
"1542972","6.2853","0.0001","10.2495","0.0002","23.3386","0.0005","90","","90","","90","","1503.5","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cl N O2 -","- C17 H20 Cl N O2 -","- C68 H80 Cl4 N4 O8 -","4","1","","Gade, Amol B.; Patil, Nitin T.","Gold(I)-Catalyzed Hydroaminaloxylation and Petasis-Ferrier Rearrangement Cascade of Aminaloalkynes.","Organic letters","2016","18","8","1844","1847","10.1021/acs.orglett.6b00585","","","0.71073","MoKα","","0.0238","0.0236","","","0.0532","0.0533","","","","","","1.102","","","","has coordinates","184979","2020-10-21","18:00:00",""
"1542999","7.122","0.0005","12.4596","0.0009","29.1959","0.0018","90","","90","","90","","2590.8","0.3","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl -","- C15 H15 Cl -","- C120 H120 Cl8 -","8","2","","Chen, Jianhui; Chen, Chenhui; Ji, Chonglei; Lu, Zhan","Cobalt-Catalyzed Asymmetric Hydrogenation of 1,1-Diarylethenes.","Organic letters","2016","18","7","1594","1597","10.1021/acs.orglett.6b00453","","","0.71073","MoKα","","0.1047","0.0579","","","0.1201","0.142","","","","","","1.02","","","","has coordinates","181389","2020-10-21","18:00:00",""
"1543022","7.1625","0.0002","7.788","0.0002","28.9103","0.0007","90","","90","","90","","1612.66","0.07","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.036","0.0352","","","0.0992","0.1004","","","","","","1.019","","","","has coordinates,has disorder","182530","2020-10-21","18:00:00",""
"1543023","6.8416","0.0003","7.8031","0.0003","30.6323","0.0013","90","","90","","90","","1635.33","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.0455","0.0423","","","0.122","0.1246","","","","","","1.095","","","","has coordinates,has disorder","182530","2020-10-21","18:00:00",""
"1543024","8.2506","0.0002","11.8258","0.0002","16.5504","0.0003","90","","90","","90","","1614.82","0.06","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Ni, Gang; Zhang, Hua; Fan, Yao-Yue; Liu, Hong-Chun; Ding, Jian; Yue, Jian-Min","Mannolides A-C with an Intact Diterpenoid Skeleton Providing Insights on the Biosynthesis of Antitumor Cephalotaxus Troponoids.","Organic letters","2016","18","8","1880","1883","10.1021/acs.orglett.6b00653","","","1.54178","CuKα","","0.0386","0.0382","","","0.0954","0.0958","","","","","","1.036","","","","has coordinates,has disorder","182530","2020-10-21","18:00:00",""
"1543043","9.41","0.005","9.667","0.005","25.285","0.005","90","","90","","90","","2300.1","1.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-yl 4-methylbenzene-1-sulfonate","","- C23 H32 Cl2 O3 S -","- C23 H32 Cl2 O3 S -","- C92 H128 Cl8 O12 S4 -","4","1","HB4024","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-yl 4-methylbenzene-1-sulfonate","IUCrData","2016","1","4","x160422","","10.1107/S2414314616004223","","","0.71073","MoKα","","0.0369","0.03","","","0.0665","0.0687","","","","","","0.966","","","","has coordinates,has Fobs","181836","2020-10-21","18:00:00",""
"1543053","14.01476","0.00014","11.03782","0.00011","9.33193","0.00012","90","","90","","90","","1443.58","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cis-inositol","cis-1,2,3,4,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","2","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.21","","","","","","","has coordinates,has Fobs","181978","2020-10-21","18:00:00",""
"1543063","4.5205","0.0001","13.4538","0.0003","21.0436","0.0005","90","","90","","90","","1279.83","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-5-bromoindoline-2,3-dione","","- C15 H10 Br N O2 -","- C15 H10 Br N O2 -","- C60 H40 Br4 N4 O8 -","4","1","BT4004","Kharbach, Yassine; Kandri Rodi, Youssef; Renard, Catherine; Essassi, El Mokhtar; El Ammari, Lahcen","1-Benzyl-5-bromoindoline-2,3-dione","IUCrData","2016","1","4","x160559","","10.1107/S2414314616005599","","","0.71073","MoKα","","0.0321","0.0256","","","0.0563","0.0577","","","","","","1.064","","","","has coordinates,has Fobs","181998","2020-10-21","18:00:00",""
"1543082","5.4311","0.0005","13.6861","0.0015","27.34","0.004","90","","90","","90","","2032.2","0.4","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(<i>L</i>-valine-κ<i>O</i>)lead(II) nitrate","","- C10 H26 N4 O12 Pb -","- C10 H26 N4 O12 Pb -","- C40 H104 N16 O48 Pb4 -","4","1","PJ4001","Bernès, Sylvain; Gasque, Laura","Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(<small>L</small>-valine-κ<i>O</i>)lead(II) nitrate at 296K","IUCrData","2016","1","4","x160539","","10.1107/S2414314616005393","","","0.71073","MoKα","","0.0617","0.0437","","","0.1042","0.116","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","182043","2020-10-21","18:00:00",""
"1543085","7.957","0.005","10.796","0.005","13.673","0.005","90","","90","","90","","1174.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3a<i>R</i>,6<i>R</i>)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazole-2-carbothioamide","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C44 H76 N12 S4 -","4","1","SU4023","N'Ait Ousidi, Abdellah; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Chevreux, Sylviane; Berraho, Moha","(3a<i>R</i>,6<i>R</i>)-3,3,6-Trimethyl-3,3a,4,5,6,7-hexahydro-2<i>H</i>-indazole-2-carbothioamide","IUCrData","2016","1","4","x160573","","10.1107/S2414314616005733","","","1.5418","CuKα","","0.0213","0.0209","","","0.0537","0.0541","","","","","","1.056","","","","has coordinates,has Fobs","182046","2020-10-21","18:00:00",""
"1543087","6.7563","0.0001","11.2307","0.0002","11.7323","0.0003","90","","90","","90","","890.22","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-5-nitro-1<i>H</i>-indazole","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C36 H36 N12 O8 -","4","1","TK4008","Boulhaoua, Mohammed; El Hafi, Mohamed; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","1-Ethyl-5-nitro-1<i>H</i>-indazole","IUCrData","2016","1","4","x160567","","10.1107/S2414314616005678","","","1.54178","CuKα","","0.0331","0.0318","","","0.0822","0.0834","","","","","","1.139","","","","has coordinates,has Fobs","182048","2020-10-21","18:00:00",""
"1543106","7.8163","0.0016","11.555","0.002","26.919","0.005","90","","90","","90","","2431.3","0.8","133.15","","133.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7","","- C26 H33 N O5 S -","- C26 H33 N O5 S -","- C104 H132 N4 O20 S4 -","4","1","","Liu, Yang; Cheng, Li-Jie; Yue, Hai-Tao; Che, Wen; Xie, Jian-Hua; Zhou, Qi-Lin","Divergent enantioselective synthesis of hapalindole-type alkaloids using catalytic asymmetric hydrogenation of a ketone to construct the chiral core structure","Chem. Sci.","2016","7","7","4725","","10.1039/C6SC00686H","","","0.71073","MoKα","","0.1148","0.0837","","","0.1899","0.2057","","","","","","1.128","","","","has coordinates","185128","2020-10-21","18:00:00",""
"1543110","6.575","0.0004","14.273","0.0008","19.3071","0.001","90","","90","","90","","1811.87","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Conodusine C","","","- C20 H28 N2 O4 -","- C20 H28 N2 O4 -","- C80 H112 N8 O16 -","4","1","","Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution.","Journal of natural products","2016","79","5","1388","1399","10.1021/acs.jnatprod.6b00129","","","0.71073","MoKα","","0.0784","0.0498","","","0.0994","0.1155","","","","","","1.021","","","","has coordinates","183588","2020-10-21","18:00:00",""
"1543116","9.6422","0.0003","12.8786","0.0004","22.6372","0.0007","90","","90","","90","","2811.04","0.15","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Br2 N O6 S -","- C23 H33 Br2 N O6 S -","- C92 H132 Br8 N4 O24 S4 -","4","1","","Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen","Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.","Organic letters","2016","18","9","1996","1999","10.1021/acs.orglett.6b00588","","","0.71073","MoKα","","0.0773","0.0359","","","0.0823","0.093","","","","","","1.001","","","","has coordinates","187985","2020-10-21","18:00:00",""
"1543118","8.689","0.003","13.353","0.004","18.075","0.006","90","","90","","90","","2097.1","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br2 Cl3 N2 O3 -","- C16 H19 Br2 Cl3 N2 O3 -","- C64 H76 Br8 Cl12 N8 O12 -","4","1","","Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen","Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.","Organic letters","2016","18","9","1996","1999","10.1021/acs.orglett.6b00588","","","0.71073","MoKα","","0.0853","0.0347","","","0.0425","0.0465","","","","","","0.634","","","","has coordinates","187985","2020-10-21","18:00:00",""
"1543128","4.4793","0.0002","10.3596","0.0005","21.5724","0.0011","90","","90","","90","","1001.04","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C32 H44 N12 O16 -","4","1","ZP4004","Hakmaoui, Yassine; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate","IUCrData","2016","1","4","x160588","","10.1107/S2414314616005885","","","0.71073","MoKα","","0.0434","0.0372","","","0.0961","0.1002","","","","","","1.055","","","","has coordinates,has Fobs","182161","2020-10-21","18:00:00",""
"1543130","4.4666","0.0002","12.9169","0.0006","16.3857","0.0008","90","","90","","90","","945.37","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Propyl-1<i>H</i>-indole-2,3-dione","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","SJ4024","Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","1-Propyl-1<i>H</i>-indole-2,3-dione","IUCrData","2016","1","4","x160609","","10.1107/S241431461600609X","","","0.71073","MoKα","","0.0442","0.0379","","","0.0856","0.0891","","","","","","1.255","","","","has coordinates,has Fobs","182163","2020-10-21","18:00:00",""
"1543146","11.64797","0.00017","12.20869","0.00017","25.7274","0.0004","90","","90","","90","","3658.6","0.09","294","1","294","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-3β,16β-Diacetoxy-23-acetyl-22,26-epoxycholesta-5,22-diene <i>n</i>-hexane 0.8-solvate","","- C37.8 H59.2 O6 -","- C37.8 H59.2 O6 -","- C151.2 H236.8 O24 -","4","1","ZP4003","Hernández Linares, María-Guadalupe; Carrasco-Carballo, Alan; Guerrero-Luna, Gabriel; Bernès, Sylvain; Aguirre Hernández, Gerardo","(25<i>R</i>)-3β,16β-Diacetoxy-23-acetyl-22,26-epoxycholesta-5,22-diene <i>n</i>-hexane 0.8-solvate","IUCrData","2016","1","4","x160622","","10.1107/S2414314616006222","","","1.54184","CuKα","","0.0469","0.0397","","","0.1","0.1061","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","182211","2020-10-21","18:00:00",""
"1543148","9.9306","0.0012","13.3269","0.0016","14.2698","0.0017","90","","90","","90","","1888.5","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Hu, Linzhen; Xue, Yongbo; Zhang, Jinwen; Zhu, Hucheng; Chen, Chunmei; Li, Xiao-Nian; Liu, Junjun; Wang, Zhenzhen; Zhang, Yu; Zhang, Yonghui","(±)-Japonicols A-D, Acylphloroglucinol-Based Meroterpenoid Enantiomers with Anti-KSHV Activities from Hypericum japonicum.","Journal of natural products","2016","79","5","1322","1328","10.1021/acs.jnatprod.5b01119","","","1.54178","CuKα","","0.0322","0.03","","","0.073","0.0832","","","","","","1.06","","","","has coordinates","183585","2020-10-21","18:00:00",""
"1543149","11.6475","0.0011","12.2234","0.0007","15.9268","0.0008","90","","90","","90","","2267.5","0.3","101.8","","101.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O7 -","- C25 H28 O7 -","- C100 H112 O28 -","4","1","","Sun, Jing; Zhu, Zhi-Xiang; Song, Yue-Lin; Dong, Dan; Zheng, Jiao; Liu, Ting; Zhao, Yun-Fang; Ferreira, Daneel; Zjawiony, Jordan K.; Tu, Peng-Fei; Li, Jun","Nitric Oxide Inhibitory Meroterpenoids from the Fungus Penicillium purpurogenum MHZ 111.","Journal of natural products","2016","79","5","1415","1422","10.1021/acs.jnatprod.6b00160","","","1.5418","CuKα","","0.0394","0.0377","","","0.096","0.0976","","","","","","1.042","","","","has coordinates","183587","2020-10-21","18:00:00",""
"1543152","6.0481","0.0003","15.9843","0.0008","19.4099","0.001","90","","90","","90","","1876.45","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 F3 N O3 -","- C21 H18 F3 N O3 -","- C84 H72 F12 N4 O12 -","4","1","","Vamisetti, Ganga B.; Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.","“On Water” Organocatalyzed [4 + 2] Cycloaddition of Enones and Nitro Dienes for the Enantioselective Synthesis of Densely Substituted Cyclohexanones","Organic Letters","2016","","","","","10.1021/acs.orglett.6b00460","","","1.54184","CuKα","","0.0998","0.0857","","","0.238","0.2589","","","","","","1.049","","","","has coordinates","182278","2020-10-21","18:00:00",""
"1543155","6.04125","0.00016","9.8526","0.0004","31.9892","0.0011","90","","90","","90","","1904.06","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br2 N O3 -","- C20 H17 Br2 N O3 -","- C80 H68 Br8 N4 O12 -","4","1","","Vamisetti, Ganga B.; Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.","“On Water” Organocatalyzed [4 + 2] Cycloaddition of Enones and Nitro Dienes for the Enantioselective Synthesis of Densely Substituted Cyclohexanones","Organic Letters","2016","","","","","10.1021/acs.orglett.6b00460","","","1.54184","CuKα","","0.0766","0.0629","","","0.1633","0.1745","","","","","","1.073","","","","has coordinates","182278","2020-10-21","18:00:00",""
"1543161","8.7878","0.0005","20.2223","0.0011","29.819","0.0016","90","","90","","90","","5299.1","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O5 -","- C28 H40 O5 -","- C224 H320 O40 -","8","2","","Hu, Linzhen; Zhang, Yu; Zhu, Hucheng; Liu, Junjun; Li, Hua; Li, Xiao-Nian; Sun, Weiguang; Zeng, Junfen; Xue, Yongbo; Zhang, Yonghui","Filicinic Acid Based Meroterpenoids with Anti-Epstein-Barr Virus Activities from Hypericum japonicum.","Organic letters","2016","18","9","2272","2275","10.1021/acs.orglett.6b00906","","","1.54178","CuKα","","0.0473","0.0448","","","0.1168","0.1191","","","","","","1.065","","","","has coordinates","184994","2020-10-21","18:00:00",""
"1543225","5.8932","0.0009","7.1714","0.0009","27.347","0.004","90","","90","","90","","1155.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4<i>S</i>,5<i>S</i>,6<i>R</i>,<i>E</i>)-3,5-Dimethyl-6-vinylhept-2-ene-1,4,7-triol","","- C11 H20 O3 -","- C11 H20 O3 -","- C44 H80 O12 -","4","1","","von Kiedrowski, Valeska; Quentin, Florian; Golz, Christopher; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin","(4<i>S</i>,5<i>S</i>,6<i>R</i>,<i>E</i>)-3,5-Dimethyl-6-vinylhept-2-ene-1,4,7-triol","IUCrData","2016","1","4","x160697","","10.1107/S2414314616006970","","","1.54178","CuKα","","0.0309","0.0305","","","0.0792","0.0796","","","","","","1.095","","","","has coordinates,has Fobs","182424","2020-10-21","18:00:00",""
"1543230","5.7058","0.0001","10.6201","0.0002","18.8688","0.0004","90","","90","","90","","1143.38","0.04","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","","- C10 H9 F N4 O S -","- C10 H9 F N4 O S -","- C40 H36 F4 N16 O4 S4 -","4","1","IS4006","Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan","(<i>Z</i>)-2-(5-Fluoro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","IUCrData","2016","1","4","x160659","","10.1107/S2414314616006593","","","0.71073","MoKα","","0.0292","0.0266","","","0.0675","0.0692","","","","","","1.047","","","","has coordinates,has Fobs","182429","2020-10-21","18:00:00",""
"1543276","6.3268","0.0008","7.2868","0.001","28.272","0.004","90","","90","","90","","1303.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-4-Methylbenzylidene]pyridine-4-carbohydrazide monohydrate","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","HB4039","Pereira Almeida, Wanda; Paes Koury, Isabela; de Simoni, Deborah","<i>N</i>'-[(<i>E</i>)-4-Methylbenzylidene]pyridine-4-carbohydrazide monohydrate","IUCrData","2016","1","5","x160752","","10.1107/S2414314616007525","","","0.71073","MoKα","","0.0315","0.0298","","","0.0779","0.0788","","","","","","1.061","","","","has coordinates,has Fobs","182861","2020-10-21","18:00:00",""
"1543306","9.3255","0.0002","10.2652","0.0002","20.1671","0.0004","90","","90","","90","","1930.56","0.07","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C88 H108 N12 O12 -","4","1","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.0298","0.0291","","","0.0752","0.0756","","","","","","1.071","","","","has coordinates","184961","2020-10-21","18:00:00",""
"1543309","9.11599","0.00016","13.3173","0.0002","34.5039","0.0006","90","","90","","90","","4188.79","0.12","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F N3 O3 -","- C22 H26 F N3 O3 -","- C176 H208 F8 N24 O24 -","8","2","","Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides.","Organic letters","2016","18","10","2391","2394","10.1021/acs.orglett.6b00879","","","1.54187","CuKα","","0.051","0.041","","","0.0876","0.0938","","","","","","0.971","","","","has coordinates","184961","2020-10-21","18:00:00",""
"1543331","7.4088","0.0002","12.5634","0.0003","20.4594","0.0007","90","","90","","90","","1904.36","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cl N O6 -","- C20 H18 Cl N O6 -","- C80 H72 Cl4 N4 O24 -","4","1","","Danda, Adithi; Kesava-Reddy, Naredla; Golz, Christopher; Strohmann, Carsten; Kumar, Kamal","Asymmetric Roadmap to Diverse Polycyclic Benzopyrans via Phosphine-Catalyzed Enantioselective [4 + 2]-Annulation Reaction","Organic Letters","2016","","","","","10.1021/acs.orglett.6b01030","","x-ray","0.71073","MoKα","","0.0388","0.0331","","","0.072","0.0741","","","","","","1.045","","","","has coordinates","182992","2020-10-21","18:00:00",""
"1543332","8.3536","0.001","13.8716","0.0016","21.444","0.003","90","","90","","90","","2484.9","0.5","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N O4 S -","- C29 H27 N O4 S -","- C116 H108 N4 O16 S4 -","4","1","","Zhang, Yu-Fang; Chen, Diao; Chen, Wen-Wen; Xu, Ming-Hua","Construction of Cyclic Sulfamidates Bearing Two gem-Diaryl Stereocenters through a Rhodium-Catalyzed Stepwise Asymmetric Arylation Protocol.","Organic letters","2016","18","11","2726","2729","10.1021/acs.orglett.6b01183","","","0.71073","MoKα","","0.0588","0.043","","","0.0992","0.109","","","","","","1.037","","","","has coordinates","187971","2020-10-21","18:00:00",""
"1543339","10.678","0.002","10.701","0.002","27.346","0.006","90","","90","","90","","3124.7","1.1","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 Fe N3 O P -","- C35 H38 Fe N3 O P -","- C140 H152 Fe4 N12 O4 P4 -","4","1","","Zhou, Yong; Zhu, Fu-Lin; Liu, Zhen-Ting; Zhou, Xiao-Mao; Hu, Xiang-Ping","Chiral Ferrocenyl P,N-Ligands for Palladium-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Propargylic Esters with β-Ketoesters: Access to Functionalized Chiral 2,3-Dihydrofurans.","Organic letters","2016","18","11","2734","2737","10.1021/acs.orglett.6b01192","","","0.71073","MoKα","","0.0524","0.0483","","","0.0965","0.0985","","","","","","1.095","","","","has coordinates","184978","2020-10-21","18:00:00",""
"1543347","5.83624","0.00017","8.4245","0.0003","17.0381","0.0005","90","","90","","90","","837.72","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>D</i>-(-)-2-Azaniumyl-2-(4-hydroxyphenyl)acetate","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","SJ4032","Zhang, Xiaohui; Yu, Yuzhen; Li, Zhanjun; Li, Wen","<small>D</small>-({-})-2-Azaniumyl-2-(4-hydroxyphenyl)acetate: an orthorhombic polymorph","IUCrData","2016","1","5","x160768","","10.1107/S2414314616007689","","","1.54184","CuKα","","0.0356","0.0333","","","0.0941","0.096","","","","","","1.046","","","","has coordinates,has Fobs","183063","2020-10-21","18:00:00",""
"1543358","6.677","0.0003","14.801","0.0008","15.5028","0.0008","90","","90","","90","","1532.08","0.13","119.2","","119.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Xu, Kuo; Jiang, Jian-Shuang; Feng, Zi-Ming; Yang, Ya-Nan; Li, Li; Zang, Cai-Xia; Zhang, Pei-Cheng","Bioactive Sesquiterpenoid and Polyacetylene Glycosides from Atractylodes lancea.","Journal of natural products","2016","79","6","1567","1575","10.1021/acs.jnatprod.6b00066","","","1.5418","CuKα","","0.0452","0.0398","","","0.0968","0.1017","","","","","","1.03","","","","has coordinates","184935","2020-10-21","18:00:00",""
"1543360","5.87215","0.00015","17.2976","0.0004","17.9057","0.0005","90","","90","","90","","1818.76","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.","Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.","Organic letters","2016","18","12","2902","2905","10.1021/acs.orglett.6b01235","","","1.54184","CuKα","","0.039","0.0376","","","0.0946","0.0961","","","","","","1.044","","","","has coordinates","184966","2020-10-21","18:00:00",""
"1543365","6.66247","0.00009","16.2362","0.0002","16.4824","0.0003","90","","90","","90","","1782.95","0.05","293.7","0.3","293.7","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Fei, Dong-Qing; Dong, Le-Le; Qi, Feng-Ming; Fan, Gai-Xia; Li, Hui-Hong; Li, Zheng-Yu; Zhang, Zhan-Xin","Euphorikanin A, a Diterpenoid Lactone with a Fused 5/6/7/3 Ring System from Euphorbia kansui.","Organic letters","2016","18","12","2844","2847","10.1021/acs.orglett.6b01093","","","1.5418","CuKα","","0.0447","0.0426","","","0.1128","0.1163","","","","","","1.037","","","","has coordinates","184970","2020-10-21","18:00:00",""
"1543390","10.6272","0.0008","12.262","0.001","25.592","0.002","90","","90","","90","","3334.9","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Cl4 N2 O13 S -","- C25 H36 Cl4 N2 O13 S -","- C100 H144 Cl16 N8 O52 S4 -","4","1","","Gutiérrez-Jiménez, Marta I; Aydillo, Carlos; Navo, Claudio D.; Avenoza, Alberto; Corzana, Francisco; Jiménez-Osés, Gonzalo; Zurbano, María M; Busto, Jesús H; Peregrina, Jesús M","Bifunctional Chiral Dehydroalanines for Peptide Coupling and Stereoselective S-Michael Addition.","Organic letters","2016","18","12","2796","2799","10.1021/acs.orglett.6b00840","","x-ray","0.71073","MoKα","","0.05","0.0421","","","0.1019","0.1057","","","","","","1.09","","","","has coordinates","184967","2020-10-21","18:00:00",""
"1543391","10.13364","0.00019","14.6711","0.0002","19.7677","0.0004","90","","90","","90","","2938.9","0.09","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 B N2 O2 -","- C40 H29 B N2 O2 -","- C160 H116 B4 N8 O8 -","4","1","","Roose, Jesse; Leung, Anakin Chun Sing; Wang, Jia; Peng, Qian; Sung, Herman H.-Y.; Williams, Ian Duncan; Tang, Ben Zhong","A colour-tunable chiral AIEgen: reversible coordination, enantiomer discrimination and morphology visualization","Chem. Sci.","2016","7","9","6106","","10.1039/C6SC01614F","","x-ray","1.54184","CuKα","","0.0404","0.033","","","0.0791","0.0824","","","","","","1.002","","","","has coordinates","186327","2020-10-21","18:00:00",""
"1543422","8.4761","0.0002","15.2842","0.0002","20.5734","0.0003","90","","90","","90","","2665.29","0.08","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium dicarbonyl(η^5^-pentamethylcyclopentadienyl)ferrate(II)","","- C24 H39 Fe K O8 -","- C24 H39 Fe K O8 -","- C96 H156 Fe4 K4 O32 -","4","1","WM4016","Mizuhata, Yoshiyuki; Yanagisawa, Tatsuya; Sasamori, Takahiro; Tokitoh, Norihiro","[K(18-crown-6)][FeCp*(CO)~2~]","IUCrData","2016","1","6","x160881","","10.1107/S2414314616008816","","","0.71075","MoKα","","0.0267","0.026","","","0.0665","0.0671","","","","","","1.11","","","","has coordinates,has Fobs","183361","2020-10-21","18:00:00",""
"1543434","9.6612","0.0002","14.6195","0.0003","20.0326","0.0005","90","","90","","90","","2829.44","0.11","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 Br N3 O4 S -","- C32 H26 Br N3 O4 S -","- C128 H104 Br4 N12 O16 S4 -","4","1","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.0464","0.0395","","","0.0951","0.1017","","","","","","1.041","","","","has coordinates","186341","2020-10-21","18:00:00",""
"1543438","5.9339","0.0002","12.3047","0.0005","21.7128","0.0009","90","","90","","90","","1585.36","0.11","199.16","0.1","199.16","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Jiang, Xiaojian; Yang, Junjie; Zhang, Feng; Yu, Pei; Yi, Peng; Sun, Yewei; Wang, Yuqiang","Synthesis of Quaternary 3,3-Disubstituted 2-Oxindoles from 2-Substituted Indole Using Selectfluor.","Organic letters","2016","18","13","3154","3157","10.1021/acs.orglett.6b01367","","x-ray","1.54184","CuKα","","0.0371","0.0337","","","0.086","0.0893","","","","","","1.052","","","","has coordinates","184952","2020-10-21","18:00:00",""
"1543449","7.5528","0.0002","11.7831","0.0003","14.103","0.0003","90","","90","","90","","1255.1","0.05","90","0.2","90","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Ordóñez, Paola E; Sharma, Krishan K.; Bystrom, Laura M.; Alas, Maria A.; Enriquez, Raul G.; Malagón, Omar; Jones, Darin E.; Guzman, Monica L.; Compadre, Cesar M.","Dehydroleucodine, a Sesquiterpene Lactone from Gynoxys verrucosa, Demonstrates Cytotoxic Activity against Human Leukemia Cells.","Journal of natural products","2016","79","4","691","696","10.1021/acs.jnatprod.5b00383","","","1.54178","CuKα","","0.0286","0.0284","","","0.0751","0.0753","","","","","","1.054","","","","has coordinates","183540","2020-10-21","18:00:00",""
"1543450","11.7328","0.0001","13.0767","0.0001","19.2454","0.0002","90","","90","","90","","2952.75","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Conoduzidine A","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","2","","Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution.","Journal of natural products","2016","79","5","1388","1399","10.1021/acs.jnatprod.6b00129","","","1.54184","CuKα","","0.0358","0.0354","","","0.0898","0.0901","","","","","","1.072","","","","has coordinates","183541","2020-10-21","18:00:00",""
"1543458","8.2323","0.0003","12.9269","0.0006","16.6298","0.0008","90","","90","","90","","1769.71","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2,11-Tribromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H22 Br4 -","- C16 H22 Br4 -","- C64 H88 Br16 -","4","1","SU4046","Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-2,2,11-Tribromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","IUCrData","2016","1","5","x160820","","10.1107/S2414314616008208","","","0.71073","MoKα","","0.0456","0.0331","","","0.0557","0.059","","","","","","1.031","","","","has coordinates,has Fobs","183623","2020-10-21","18:00:00",""
"1543461","7.9149","0.0003","9.3676","0.0004","21.6431","0.0008","90","","90","","90","","1604.7","0.11","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(Pyridin-4-yl)propan-1-one oxime","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","2","","Eitel, Michael; Schollmeyer, Dieter; Koch, Pierre","(<i>E</i>)-1-(Pyridin-4-yl)propan-1-one oxime","IUCrData","2016","1","5","x160803","","10.1107/S2414314616008038","","","1.54178","CuKα","","0.0325","0.031","","","0.0824","0.0884","","","","","","1.115","","","","has coordinates,has Fobs","183626","2020-10-21","18:00:00",""
"1543475","4.6344","0.0002","12.6284","0.0006","25.3537","0.0012","90","","90","","90","","1483.83","0.12","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Bromo-1-(6-bromohexyl)indoline-2,3-dione","","- C14 H15 Br2 N O2 -","- C14 H15 Br2 N O2 -","- C56 H60 Br8 N4 O8 -","4","1","BT4013","Kharbach, Yassine; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid","5-Bromo-1-(6-bromohexyl)indoline-2,3-dione","IUCrData","2016","1","6","x160883","","10.1107/S241431461600883X","","","0.71073","MoKα","","0.0591","0.0333","","","0.0649","0.0717","","","","","","1.018","","","","has coordinates,has Fobs","183687","2020-10-21","18:00:00",""
"1543502","4.435","0.0002","5.4251","0.0003","48.735","0.003","90","","90","","90","","1172.58","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Br O4 -","- C12 H11 Br O4 -","- C48 H44 Br4 O16 -","4","1","","Ghosh, Arun K.; Nyalapatla, Prasanth R.","Correction to Enantioselective Total Synthesis of (+)-Amphirionin-4.","Organic letters","2016","18","14","3509","","10.1021/acs.orglett.6b01620","","","1.54178","CuKα","","0.0721","0.0676","","","0.1913","0.2008","","","","","","1.107","","","","has coordinates","184984","2020-10-21","18:00:00",""
"1543509","8.554","0.004","10.499","0.002","13.389","0.004","90","","90","","90","","1202.4","0.7","","","122","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O3 -","- C13 N3 O3 -","- C52 N12 O12 -","4","1","","Holst, Pia Bachmann; Anthoni, Uffe; Christophersen, Carsten; Larsen, Sine; Nielsen, Per Halfdan; Puschl, Ask","Cyclisations of Tryptophans. IV. Cyclisation of Nb-Acyl-L-Tryptophanamides","Acta Chemica Scandinavica","1998","52","","683","693","10.3891/acta.chem.scand.52-0683","","x-ray","1.54178","CuKα","","0.0304","","","","","0.0752","","","","","","1.053","","","","has coordinates","183884","2020-10-21","18:00:00",""
"1543526","13.5014","0.0009","15.6835","0.0009","16.226","0.0011","90","","90","","90","","3435.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 O15 S -","- C35 H38 O15 S -","- C140 H152 O60 S4 -","4","1","","Che, Qian; Tan, Hongsheng; Han, Xiaoning; Zhang, Xiaomin; Gu, Qianqun; Zhu, Tianjiao; Li, Dehai","Naquihexcin A, a S-Bridged Pyranonaphthoquinone Dimer Bearing an Unsaturated Hexuronic Acid Moiety from a Sponge-Derived Streptomyces sp. HDN-10-293.","Organic letters","2016","18","14","3358","3361","10.1021/acs.orglett.6b01485","","","1.54184","CuKα","","0.0784","0.0613","","","0.1489","0.1646","","","","","","1.037","","","","has coordinates","184980","2020-10-21","18:00:00",""
"1543553","7.9301","0.0002","11.6306","0.0003","25.2568","0.0005","90","","90","","90","","2329.48","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O5 -","- C26 H36 O5 -","- C104 H144 O20 -","4","1","","Qi, Changxing; Bao, Jian; Wang, Jianping; Zhu, Hucheng; Xue, Yongbo; Wang, Xiaochuan; Li, Hua; Sun, Weiguang; Gao, Weixi; Lai, Yongji; Chen, Jian-Guo; Zhang, Yonghui","Asperterpenes A and B, two unprecedented meroterpenoids from Aspergillus terreus with BACE1 inhibitory activities","Chem. Sci.","2016","7","10","6563","","10.1039/C6SC02464E","","","1.54178","CuKα","","0.0345","0.0341","","","0.0985","0.0989","","","","","","1.083","","","","has coordinates","187021","2020-10-21","18:00:00",""
"1543559","7.1631","0.0009","8.3919","0.001","19.652","0.002","90","","90","","90","","1181.3","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Cu N5 O -","- C10 H13 Cu N5 O -","- C40 H52 Cu4 N20 O4 -","4","1","","Sourajit Banerjee; Chandan Adhikary; Corrado Rizzoli; Rammohan Pal","Single end to end azido bridged adduct of a tridentate schiff base copper(II) complex: Synthesis, structure, magnetism and catalytic studies","Inorganica Chimica Acta","2014","","","202","207","10.1016/j.ica.2013.09.032","","","0.71073","MoKα","","0.0442","0.0358","","","0.0807","0.0858","","","","","","1.048","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1543602","10.7952","0.0007","17.2819","0.0011","23.5916","0.0013","90","","90","","90","","4401.3","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19.5 H28.98 O10.99 S -","- C19.5 H28.9833 O10.9916 S -","- C156 H231.866 O87.9332 S8 -","8","2","","de Castro, Marcos V.; Ióca, Laura P; Williams, David E.; Costa, Bruna Z.; Mizuno, Carolina M.; Santos, Mario F. C.; de Jesus, Karen; Ferreira, Éverton L F; Seleghim, Mirna H. R.; Sette, Lara D.; Pereira Filho, Edenir R.; Ferreira, Antonio G.; Gonçalves, Natália S; Santos, Raquel A.; Patrick, Brian O.; Andersen, Raymond J.; Berlinck, Roberto G. S.","Condensation of Macrocyclic Polyketides Produced by Penicillium sp. DRF2 with Mercaptopyruvate Represents a New Fungal Detoxification Pathway.","Journal of natural products","2016","79","6","1668","1678","10.1021/acs.jnatprod.6b00295","","x-ray","0.71073","MoKα","","0.0564","0.0414","","","0.0944","0.1055","","","","","","1.02","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1543630","14.3087","0.0006","15.226","0.0008","18.5087","0.0009","90","","90","","90","","4032.4","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H42 Br N3 O6 -","- C47 H42 Br N3 O6 -","- C188 H168 Br4 N12 O24 -","4","1","","Xu, Jianfeng; Yuan, Shiru; Miao, Maozhong","N-Heterocyclic Carbene Catalyzed [4 + 2] Annulation Reactions with in Situ Generated Heterocyclic ortho-Quinodimethanes.","Organic letters","2016","18","15","3822","3825","10.1021/acs.orglett.6b01831","","","0.71073","MoKα","","0.056","0.0382","","","0.0749","0.0823","","","","","","1.038","","","","has coordinates","187958","2020-10-21","18:00:00",""
"1543653","7.5537","0.0002","14.124","0.0005","18.002","0.0006","90","","90","","90","","1920.61","0.11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Au Cl N3 O S -","- C18 H19 Au Cl N3 O S -","- C72 H76 Au4 Cl4 N12 O4 S4 -","4","1","","Frutos, María; Avello, Marta G.; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Gold Sulfinyl Mesoionic Carbenes: Synthesis, Structure, and Catalytic Activity.","Organic letters","2016","18","15","3570","3573","10.1021/acs.orglett.6b01555","","","0.71073","MoKα","","0.0108","0.0104","","","0.024","0.0241","","","","","","1.05","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1543654","10.9737","0.0004","17.4658","0.0007","19.9371","0.0007","90","","90","","90","","3821.2","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Au Cl N3 O S -","- C18 H19 Au Cl N3 O S -","- C144 H152 Au8 Cl8 N24 O8 S8 -","8","2","","Frutos, María; Avello, Marta G.; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Gold Sulfinyl Mesoionic Carbenes: Synthesis, Structure, and Catalytic Activity.","Organic letters","2016","18","15","3570","3573","10.1021/acs.orglett.6b01555","","","0.71073","MoKα","","0.0649","0.0498","","","0.0607","0.0639","","","","","","1.085","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1543655","7.2343","0.0005","11.0385","0.0007","26.4489","0.0018","90","","90","","90","","2112.1","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Au Cl N3 O2 S -","- C21 H19 Au Cl N3 O2 S -","- C84 H76 Au4 Cl4 N12 O8 S4 -","4","1","","Frutos, María; Avello, Marta G.; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Gold Sulfinyl Mesoionic Carbenes: Synthesis, Structure, and Catalytic Activity.","Organic letters","2016","18","15","3570","3573","10.1021/acs.orglett.6b01555","","","0.71073","MoKα","","0.047","0.0305","","","0.0512","0.0549","","","","","","1.028","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1543672","7.0564","0.0004","7.8593","0.0005","24.1907","0.0018","90","","90","","90","","1341.58","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 4-methylbenzenesulfonate","","- C11 H15 N3 O4 S -","- C11 H15 N3 O4 S -","- C44 H60 N12 O16 S4 -","4","1","SU4059","Thayanithi, V.; Kumar, P. Praveen; Chakkaravarthi, G.","2-Amino-1-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-3-ium 4-methylbenzenesulfonate","IUCrData","2016","1","7","x161125","","10.1107/S2414314616011251","","","0.71073","MoKα","","0.0514","0.0411","","","0.1028","0.11","","","","","","1.046","","","","has coordinates,has Fobs","184489","2020-10-21","18:00:00",""
"1543674","7.514","0.0002","10.3737","0.0003","17.8484","0.0005","90","","90","","90","","1391.25","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-Allyl-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-indazole","","- C16 H17 N3 -","- C16 H17 N3 -","- C64 H68 N12 -","4","1","SU4060","El Ghozlani, Mohamed; Rais, Adiba; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen","1-Allyl-5-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-1<i>H</i>-indazole","IUCrData","2016","1","7","x161121","","10.1107/S2414314616011214","","","0.71073","MoKα","","0.078","0.0446","","","0.0967","0.1128","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","184491","2020-10-21","18:00:00",""
"1543676","7.416","0.003","10.2","0.005","18.519","0.011","90","","90","","90","","1400.8","1.2","293","","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Liu, Jimei; Zhang, Dewu; Zhang, Min; Zhao, Jinlian; Chen, Ridao; Wang, Nan; Zhang, Dan; Dai, Jungui","Eremophilane Sesquiterpenes from an Endophytic FungusPericoniaSpecies","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00299","","","1.54187","CuKα","","0.0406","0.0383","","","0.1011","0.1041","","","","","","1.057","","","","has coordinates","184519","2020-10-21","18:00:00",""
"1543724","8.984","0.005","10.648","0.006","18.894","0.01","90","","90","","90","","1807.4","1.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2,3,4-Tri-O-acetyl-6-deoxy-α-L-mannopyranos -1-yl) thiourea","","- C13 H20 N2 O7 S -","- C13 H20 N2 O7 S -","- C52 H80 N8 O28 S4 -","4","1","","Li, Xiang; Krafczyk, Ralph; Macosek, Jakub; Li, Yulei; Zou, Yan; Simon, Bernd; Pan, Xing; Wu, Qiuye; Yan, Fang; Hennig, Janosch; Jung, Kirsten; Lassak, Jürgen; Hu, Honggang","Resolving the α-Glycosidic Linkage of Arginine-Rhamnosylated Translation Elongation Factor P (EF-P) Triggers Generation of the First ArgRha Specific Antibody","Chem. Sci.","2016","","","","","10.1039/C6SC02889F","","","0.71073","MoKα","","0.0624","0.041","","","0.0809","0.086","","","","","","0.841","","","","has coordinates","184595","2020-10-21","18:00:00",""
"1543742","5.7221","0.0001","9.3754","0.0002","24.6691","0.0005","90","","90","","90","","1323.42","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O4 S -","- C12 H16 N2 O4 S -","- C48 H64 N8 O16 S4 -","4","1","","Lu, Hongjian; lang, kai; Jiang, Huiling; Wojtas, Lukasz; Zhang, Peter","Intramolecular 1,5-C(sp3)-H Radical Amination via Co(II)-Based Metalloradical Catalysis for Five-Membered Cyclic Sulfamides","Chem. Sci.","2016","","","","","10.1039/C6SC02231F","","","1.54178","CuKα","","0.0272","0.026","","","0.0653","0.0659","","","","","","1.071","","","","has coordinates","184712","2020-10-21","18:00:00",""
"1543743","6.1655","0.0002","9.5773","0.0003","24.0447","0.0008","90","","90","","90","","1419.81","0.08","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N2 O4 S -","- C13 H18 N2 O4 S -","- C52 H72 N8 O16 S4 -","4","1","","Lu, Hongjian; lang, kai; Jiang, Huiling; Wojtas, Lukasz; Zhang, Peter","Intramolecular 1,5-C(sp3)-H Radical Amination via Co(II)-Based Metalloradical Catalysis for Five-Membered Cyclic Sulfamides","Chem. Sci.","2016","","","","","10.1039/C6SC02231F","","","1.54178","CuKα","","0.0332","0.0304","","","0.0712","0.0723","","","","","","1.031","","","","has coordinates","184712","2020-10-21","18:00:00",""
"1543744","6.0617","0.0002","7.1812","0.0002","35.5229","0.001","90","","90","","90","","1546.32","0.08","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O4 S -","- C15 H17 N3 O4 S -","- C60 H68 N12 O16 S4 -","4","1","","Lu, Hongjian; lang, kai; Jiang, Huiling; Wojtas, Lukasz; Zhang, Peter","Intramolecular 1,5-C(sp3)-H Radical Amination via Co(II)-Based Metalloradical Catalysis for Five-Membered Cyclic Sulfamides","Chem. Sci.","2016","","","","","10.1039/C6SC02231F","","","1.54178","CuKα","","0.0349","0.0323","","","0.0833","0.0849","","","","","","1.026","","","","has coordinates","184712","2020-10-21","18:00:00",""
"1543751","8.35689","0.00013","16.2511","0.0002","19.1684","0.0003","90","","90","","90","","2603.23","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C116 H176 O12 -","4","1","","Liu, Chao; Ang, Song; Huang, Xiao-Jun; Tian, Hai-Yan; Deng, Yuan-Yuan; Zhang, Dong-Mei; Wang, Ying; Ye, Wen-Cai; Wang, Lei","Meroterpenoids with New Skeletons from Myrtus communis and Structure Revision of Myrtucommulone K.","Organic letters","2016","18","16","4004","4007","10.1021/acs.orglett.6b01817","","","1.54184","CuKα","","0.0289","0.0283","","","0.0707","0.0711","","","","","","1.053","","","","has coordinates","187961","2020-10-21","18:00:00",""
"1543763","5.1865","0.0003","9.3623","0.0005","40.6608","0.0018","90","","90","","90","","1974.39","0.18","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 Cl3 O3 -","- C17 H29 Cl3 O3 -","- C68 H116 Cl12 O12 -","4","1","","Saska, Jan; Lewis, William; Paton, Robert; Denton, Ross Matthew","Synthesis of Malhamensilipin A Exploiting Iterative Epoxidation/Chlorination: Experimental and Computational Analysis of Epoxide-Derived Chloronium Ions","Chem. Sci.","2016","","","","","10.1039/C6SC03012B","","","1.5418","CuKα","","0.0726","0.0638","","","0.1382","0.1414","","","","","","1.218","","","","has coordinates","184769","2020-10-21","18:00:00",""
"1543764","5.554","0.0006","8.7336","0.001","36.98","0.005","90","","90","","90","","1793.8","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 Cl2 O4 -","- C15 H28 Cl2 O4 -","- C60 H112 Cl8 O16 -","4","1","","Saska, Jan; Lewis, William; Paton, Robert; Denton, Ross Matthew","Synthesis of Malhamensilipin A Exploiting Iterative Epoxidation/Chlorination: Experimental and Computational Analysis of Epoxide-Derived Chloronium Ions","Chem. Sci.","2016","","","","","10.1039/C6SC03012B","","x-ray","1.54184","CuKα","","0.1504","0.1349","","","0.3369","0.3452","","","","","","1.084","","","","has coordinates","184769","2020-10-21","18:00:00",""
"1543766","8.5618","0.001","8.6657","0.0009","22.783","0.003","90","","90","","90","","1690.4","0.3","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl2 N2 -","- C19 H20 Cl2 N2 -","- C76 H80 Cl8 N8 -","4","1","","Suh, Sung-Eun; Chenoweth, David M.","Aryne Compatible Solvents are not Always Innocent.","Organic letters","2016","18","16","4080","4083","10.1021/acs.orglett.6b01977","","","0.71073","MoKα","","0.0769","0.0764","","","0.1911","0.1913","","","","","","1.237","","","","has coordinates,has disorder","187959","2020-10-21","18:00:00",""
"1543788","6.3738","0.0004","10.3067","0.0007","22.7482","0.0015","90","","90","","90","","1494.39","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 F N O2 -","- C16 H22 F N O2 -","- C64 H88 F4 N4 O8 -","4","1","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","1.54178","CuKα","","0.0256","0.0254","","","0.0731","0.0732","","","","","","1.136","","","","has coordinates","184876","2020-10-21","18:00:00",""
"1543790","14.092","0.002","18.525","0.003","46.955","0.007","90","","90","","90","","12258","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56.5 H68.5 Cl2.5 F14 N7 O4 -","- C56.5 H68.5 Cl2.5 F14 N7 O4 -","- C452 H548 Cl20 F112 N56 O32 -","8","2","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","1.54178","CuKα","","0.0461","0.042","","","0.1121","0.1157","","","","","","1.027","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1543792","9.2304","0.0008","13.9651","0.0013","28.899","0.002","90","","90","","90","","3725.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H41 Cl4 F7 N4 O2 -","- C31 H41 Cl4 F7 N4 O2 -","- C124 H164 Cl16 F28 N16 O8 -","4","1","","Lehnherr, Dan; Ford, David D.; Bendelsmith, Andrew J.; Kennedy, C. Rose; Jacobsen, Eric N.","Conformational Control of Chiral Amido-Thiourea Catalysts Enables Improved Activity and Enantioselectivity.","Organic letters","2016","18","13","3214","3217","10.1021/acs.orglett.6b01435","","","1.54178","CuKα","","0.0489","0.0408","","","0.096","0.1003","","","","","","1.032","","","","has coordinates,has disorder","184876","2020-10-21","18:00:00",""
"1543796","6.431","0.001","8.943","0.001","18.239","0.002","90","","90","","90","","1049","0.2","198","2","198","2","","","","","","","synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Barthel, André; Kaden, Felix; Jäger, Anne; Metz, Peter","Enantioselective Synthesis of Guaianolides in the Osmitopsin Family by Domino Metathesis.","Organic letters","2016","18","13","3298","3301","10.1021/acs.orglett.6b01619","","x-ray","0.71073","MoKα","","0.0534","0.0394","","","0.0909","0.0981","","","","","","1.029","","","","has coordinates","184880","2020-10-21","18:00:00",""
"1543797","6.223","0.001","7.076","0.001","28.09","0.005","90","","90","","90","","1236.9","0.3","198","2","198","2","","","","","","","synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Barthel, André; Kaden, Felix; Jäger, Anne; Metz, Peter","Enantioselective Synthesis of Guaianolides in the Osmitopsin Family by Domino Metathesis.","Organic letters","2016","18","13","3298","3301","10.1021/acs.orglett.6b01619","","x-ray","0.71073","MoKα","","0.0543","0.0419","","","0.089","0.0943","","","","","","1.059","","","","has coordinates","184881","2020-10-21","18:00:00",""
"1543836","6.934","0.003","11.235","0.004","19.486","0.008","90","","90","","90","","1518","1.1","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 F5 N2 -","- C17 H13 F5 N2 -","- C68 H52 F20 N8 -","4","1","","Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu","Doubly N-Methylated Porphyrinoids.","Organic letters","2016","18","12","3006","3009","10.1021/acs.orglett.6b01377","","","1.54187","CuKα","","0.037","0.0367","","","0.0954","0.0958","","","","","","1.034","","","","has coordinates","184917","2020-10-21","18:00:00",""
"1543844","7.3051","0.001","11.626","0.0015","20.629","0.003","90","","90","","90","","1752","0.4","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br N2 O4 -","- C19 H17 Br N2 O4 -","- C76 H68 Br4 N8 O16 -","4","1","","Cayuelas, Alberto; Ortiz, Ricardo; Nájera, Carmen; Sansano, José M; Larrañaga, Olatz; de Cózar, Abel; Cossío, Fernando P","Enantioselective Synthesis of Polysubstituted Spiro-nitroprolinates Mediated by a (R,R)-Me-DuPhos·AgF-Catalyzed 1,3-Dipolar Cycloaddition.","Organic letters","2016","18","12","2926","2929","10.1021/acs.orglett.6b01273","","","0.71073","MoKα","","0.0471","0.0307","","","0.0593","0.0633","","","","","","0.94","","","","has coordinates","184921","2020-10-21","18:00:00",""
"1543852","11.829","0.002","12.023","0.002","19.877","0.004","90","","90","","90","","2826.9","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Cl O3 -","- C16 H13 Cl O3 -","- C128 H104 Cl8 O24 -","8","2","","Wen, Genfa; Su, Yingpeng; Zhang, Guoxiang; Lin, Qiqiao; Zhu, Yujin; Zhang, Qianqian; Fang, Xinqiang","Stereodivergent Synthesis of Chromanones and Flavanones via Intramolecular Benzoin Reaction.","Organic letters","2016","18","16","3980","3983","10.1021/acs.orglett.6b01767","","","0.71073","MoKα","","0.0339","0.0318","","","0.0848","0.0869","","","","","","1.026","","","","has coordinates","187962","2020-10-21","18:00:00",""
"1543877","8.4549","0.0006","14.7691","0.001","16.3607","0.0009","90","","90","","90","","2043","0.2","297","1","297","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(-)-Sparteinium tetrachloridozincate monohydrate","(-)-7,15-Diazatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadecane-7,15-diium tetrachloridozincate monohydrate","","- C15 H30 Cl4 N2 O Zn -","- C15 H30 Cl4 N2 O Zn -","- C60 H120 Cl16 N8 O4 Zn4 -","4","1","WM4021","Bernès, Sylvain; Gutiérrez, René; Hernández-Téllez, Guadalupe; Moreno, Gloria E.","({-})-Sparteinium tetrachloridozincate monohydrate","IUCrData","2016","1","8","x161237","","10.1107/S2414314616012372","","","0.71073","MoKα","","0.0304","0.0265","","","0.0659","0.0679","","","","","","1.05","","","","has coordinates,has Fobs","185719","2020-10-21","18:00:00",""
"1543883","10.0936","0.0006","10.3894","0.0006","12.0481","0.0007","90","","90","","90","","1263.44","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 N O4 S -","- C14 H9 N O4 S -","- C56 H36 N4 O16 S4 -","4","1","","Liu, Chengwei; Meng, Guangrong; Liu, Yongmei; Liu, Ruzhang; Lalancette, Roger; Szostak, Roman; Szostak, Michal","N-Acylsaccharins: Stable Electrophilic Amide-Based Acyl Transfer Reagents in Pd-Catalyzed Suzuki‒Miyaura Coupling via N‒C Cleavage","Organic Letters","2016","","","","","10.1021/acs.orglett.6b01836","","","1.54178","CuKα","","0.0225","0.0223","","","0.0578","0.0579","","","","","","1.091","","","","has coordinates","185757","2020-10-21","18:00:00",""
"1543893","4.7941","0.0007","15.333","0.002","17.698","0.003","90","","90","","90","","1300.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chenying","cy-P3-NHAc-thiazole","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C60 H48 N8 O8 S4 -","4","1","","Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing","Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling.","Chemical science","2017","8","1","169","173","10.1039/c6sc03169b","","","0.71073","MoKα","","0.0895","0.0567","","","0.1193","0.1374","","","","","","1.042","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543898","5.0868","0.001","11.793","0.002","30.515","0.006","90","","90","","90","","1830.6","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl N2 O5 -","- C18 H17 Cl N2 O5 -","- C72 H68 Cl4 N8 O20 -","4","1","","Xie, Ming-Sheng; Zhou, Peng; Niu, Hong-Ying; Qu, Gui-Rong; Guo, Hai-Ming","Enantioselective Intermolecular Cyclopropanations for the Synthesis of Chiral Pyrimidine Carbocyclic Nucleosides","Organic Letters","2016","","","","","10.1021/acs.orglett.6b02104","","","0.71073","MoKα","","0.1122","0.067","","","0.173","0.2146","","","","","","1.11","","","","has coordinates","185835","2020-10-21","18:00:00",""
"1543902","10.4487","0.0008","16.8817","0.0013","17.3829","0.0014","90","","90","","90","","3066.2","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Biphenyl-2,2'-diyl)[1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>']platinum(II)","","- C39 H34 P2 Pt -","- C39 H34 P2 Pt -","- C156 H136 P8 Pt4 -","4","1","WM4022","Rillema, D. Paul; Moore, Curtis; Jehan, Ali","(Biphenyl-2,2'-diyl)[1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>,<i>P</i>']platinum(II)","IUCrData","2016","1","8","x161277","","10.1107/S2414314616012773","","","0.71073","MoKα","","0.0172","0.0162","","","0.0346","0.0349","","","","","","1.039","","","","has coordinates,has Fobs","185844","2020-10-21","18:00:00",""
"1543909","8.2463","0.0002","10.3683","0.0003","19.3151","0.0005","90","","90","","90","","1651.44","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","1.54178","CuKα","","0.0268","0.0252","","","0.0607","0.0619","","","","","","1.07","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543912","8.2576","0.0003","10.4049","0.0004","19.0995","0.0008","90","","90","","90","","1641.02","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0613","0.0442","","","0.1107","0.1176","","","","","","1.06","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543913","7.6137","0.0004","9.3584","0.0005","24.1592","0.0013","90","","90","","90","","1721.39","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br O5 -","- C19 H23 Br O5 -","- C76 H92 Br4 O20 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0297","0.0251","","","0.0613","0.0625","","","","","","1.035","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543914","6.2703","0.0009","11.2931","0.0016","23.177","0.004","90","","90","","90","","1641.2","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","0.71073","MoKα","","0.0538","0.0413","","","0.0809","0.0831","","","","","","1.447","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543915","10.4079","0.0003","14.7042","0.0004","21.8592","0.0006","90","","90","","90","","3345.33","0.16","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Craig, 2nd, Robert A; Roizen, Jennifer L.; Smith, Russell C.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Enantioselective, Convergent Synthesis of the Ineleganolide Core by a Tandem Annulation Cascade.","Chemical science","2017","8","1","507","514","10.1039/C6SC03347D","","","1.54178","CuKα","","0.0533","0.0395","","","0.078","0.0832","","","","","","1.059","","","","has coordinates","193728","2020-10-21","18:00:00",""
"1543944","5.5852","0.0004","15.8761","0.0011","24.5341","0.0016","90","","90","","90","","2175.5","0.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Br Cl3 N2 O7 P -","- C16 H11 Br Cl3 N2 O7 P -","- C64 H44 Br4 Cl12 N8 O28 P4 -","4","1","","Ray Choudhury, Abhijnan; Mukherjee, Santanu","Enantioselective dearomatization of isoquinolines by anion-binding catalysis en route to cyclic α-aminophosphonates","Chem. Sci.","2016","","","","","10.1039/C6SC02466A","","","0.71073","MoKα","","0.0478","0.0377","","","0.0831","0.0868","","","","","","1.043","","","","has coordinates,has disorder","185910","2020-10-21","18:00:00",""
"1543955","10.4196","0.0007","10.4844","0.0007","45.63","0.003","90","","90","","90","","4984.8","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H66 B N O5 Ru -","- C56 H66 B N O5 Ru -","- C224 H264 B4 N4 O20 Ru4 -","4","1","","Dmitry S. Perekalin; Alexander P. Molotkov; Yulia V. Nelyubina; Natalia Yu. Anisimova; Alexander R. Kudinov","Synthesis of amino acid esters of the ruthenium naphthalene complex [(C5Me4CH2OH)Ru(C10H8)]+","Inorganica Chimica Acta","2014","","","390","393","10.1016/j.ica.2013.10.002","","","0.71073","MoKα","","0.0398","0.0363","","","0.0766","0.0781","","","","","","1.043","","","","has coordinates,has Fobs","211137","2020-10-21","18:00:00",""
"1543962","9.73106","0.00013","10.22183","0.00014","19.6704","0.0002","90","","90","","90","","1956.6","0.04","279.66","0.1","279.66","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N4 O6 P -","- C17 H23 N4 O6 P -","- C68 H92 N16 O24 P4 -","4","1","","Chen, Jing; Wen, Xiaojing; Wang, Yan; Du, Fei; Cai, Liu; Peng, Yungui","Asymmetric Mannich Reaction of Isatin-Based Ketimines with α-Diazomethylphosphonates Catalyzed by Chiral Silver Phosphate.","Organic letters","2016","18","17","4336","4339","10.1021/acs.orglett.6b02095","","x-ray","1.54184","CuKα","","0.0648","0.0623","","","0.158","0.1605","","","","","","1.058","","","","has coordinates,has disorder","187982","2020-10-21","18:00:00",""
"1543975","10.2921","0.0001","12.3711","0.0001","26.3067","0.0002","90","","90","","90","","3349.49","0.05","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40.5 O15.25 -","- C35 H40.5 O15.25 -","- C140 H162 O61 -","4","1","","Dai, Yi-Guo; Li, Wan-Shan; Pedpradab, Patchara; Liu, Jun-Jun; Wu, Jun; Shen, Li","Thaixylomolins O–R: four new limonoids from the Trang mangrove, Xylocarpus moluccensis","RSC Advances","2016","6","89","85978","85984","10.1039/C6RA14721F","","x-ray","1.54184","CuKα","","0.0314","0.03","","","0.0766","0.0781","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:44",""
"1543978","8.2824","0.0002","11.9132","0.0003","18.2409","0.0005","90","","90","","90","","1799.83","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Cl O8 -","- C21 H15 Cl O8 -","- C84 H60 Cl4 O32 -","4","1","","Chen, Senhua; Chen, Dongni; Cai, Runlin; Cui, Hui; Long, Yuhua; Lu, Yongjun; Li, Chunyuan; She, Zhigang","Cytotoxic and Antibacterial Preussomerins from the Mangrove Endophytic Fungus Lasiodiplodia theobromae ZJ-HQ1.","Journal of natural products","2016","79","9","2397","2402","10.1021/acs.jnatprod.6b00639","","","1.54178","CuKα","","0.0393","0.035","","","0.085","0.0896","","","","","","1.056","","","","has coordinates","186957","2020-10-21","18:00:00",""
"1544014","8.9399","0.0002","12.3247","0.0002","15.5926","0.0003","90","","90","","90","","1718.02","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Cheng, Gui-Guang; Li, Dan; Hou, Bo; Li, Xiao-Nian; Liu, Lu; Chen, Ying-Ying; Lunga, Paul-Keilah; Khan, Afsar; Liu, Ya-Ping; Zuo, Zhi-Li; Luo, Xiao-Dong","Melokhanines A-J, Bioactive Monoterpenoid Indole Alkaloids with Diverse Skeletons from Melodinus khasianus.","Journal of natural products","2016","79","9","2158","2166","10.1021/acs.jnatprod.6b00011","","","1.54178","CuKα","","0.0274","0.0274","","","0.0697","0.0698","","","","","","1.076","","","","has coordinates","186956","2020-10-21","18:00:00",""
"1544036","9.6012","0.0015","14.683","0.002","38.686","0.006","90","","90","","90","","5453.7","1.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 N O4 -","- C34 H29 N O4 -","- C272 H232 N8 O32 -","8","2","","Han, Dandan; Chen, Jinjin; He, Qiuqin; Fan, Renhua","Dearomatization-Induced Cycloaddition and Aromatization-Triggered Rearrangement: Synthesis of Vertically Expanded Five-Ring Fused Benzofurans.","Organic letters","2016","18","18","4690","4693","10.1021/acs.orglett.6b02329","","","0.71073","MoKα","","0.102","0.0558","","","0.1271","0.149","","","","","","1.012","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1544037","5.6873","0.0001","13.809","0.0003","29.7776","0.0006","90","","90","","90","","2338.61","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Allyl 3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-phthalimido-β-<i>D</i>-glucopyranoside","","- C23 H25 N O10 -","- C23 H25 N O10 -","- C92 H100 N4 O40 -","4","1","LH4012","Curran, Hannah; Zhang, Chenyao; Piro, Nicholas A.; Kassel, W. Scott; Giuliano, Robert M.","Allyl 3,4,6-tri-<i>O</i>-acetyl-2-deoxy-2-phthalimido-β-<small>D</small>-glucopyranoside","IUCrData","2016","1","8","x161363","","10.1107/S2414314616013638","","","0.71073","MoKα","","0.0505","0.0355","","","0.0703","0.077","","","","","","1.025","","","","has coordinates,has Fobs","186274","2020-10-21","18:00:00",""
"1544066","8.5367","0.0009","15.0339","0.0016","14.7258","0.0016","90","","90","","90","","1889.9","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Br N O4 -","- C19 H23 Br N O4 -","- C76 H92 Br4 N4 O16 -","4","1","","Zhou, Fengtao; Yamamoto, Hisashi","A Disulfonimide Catalyst for Highly Enantioselective Mukaiyama-Mannich Reaction.","Organic letters","2016","18","19","4974","4977","10.1021/acs.orglett.6b02262","","","0.71075","MoKα","","","0.0371","","","","0.0877","","","","","","1.019","","","","has coordinates","187975","2020-10-21","18:00:00",""
"1544074","12.14","0.001","19.298","0.0015","19.449","0.0016","90","","90","","90","","4556.5","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[2-(pyrrol-2-ylmethyleneamino)-2'-methoxy-6,6'-dimethyl-1,1'-biphenyl-κ^2^<i>N,N</i>']bis(dimethylamido-κ<i>N</i>)vanadium(IV) toluene monosolvate","","- C51 H58 N6 O2 V -","- C51 H58 N6 O2 V -","- C204 H232 N24 O8 V4 -","4","1","HG4012","Wang, Qiuwen; Xiong, Yihan; Deng, Xuebin","Bis[2-(pyrrol-2-ylmethyleneamino)-2'-methoxy-6,6'-dimethyl-1,1'-biphenyl-κ^2^<i>N,N</i>']bis(dimethylamido-κ<i>N</i>)vanadium(IV) toluene monosolvate","IUCrData","2016","1","9","x161421","","10.1107/S2414314616014218","","","1.54187","CuKα","","0.0329","0.0297","","","0.0656","0.0678","","","","","","1.02","","","","has coordinates,has Fobs","186549","2020-10-21","18:00:00",""
"1544138","6.003","0.006","14.84","0.03","28.93","0.03","90","","90","","90","","2577","6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Marek99 (Zack)","Benzyl (S)-4-((S)-4-benzyl-2-oxooxazolidine-3-carbonyl)-4-methyl-2-methyleneoctanoate","","- C28 H33 N O5 -","- C28 H33 N O5 -","- C112 H132 N4 O20 -","4","1","","Nairoukh, Zackaria; Kumar, Gunda G K S Narayana; Minko, Yury; Marek, Ilan","Enantioselective allylic alkylation of stereodefined polysubstituted copper enolates as an entry to acyclic quaternary carbon stereocentres.","Chemical science","2017","8","1","627","630","10.1039/c6sc03036j","","","0.71073","MoKα","","0.0611","0.046","","","0.1174","0.1403","","","","","","1.07","","","","has coordinates","196318","2020-10-21","18:00:00",""
"1544159","8.4431","0.0006","11.7892","0.0012","31.416","0.003","90","","90","","90","","3127.1","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 F4 I N3 O2 -","- C32 H34 F4 I N3 O2 -","- C128 H136 F16 I4 N12 O8 -","4","1","","Maugeri, Leonardo; Jamieson, Ellen M. G.; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","pH controlled assembly of a self-complementary halogen-bonded dimer","Chem. Sci.","2017","8","2","938","","10.1039/C6SC03696A","","","0.71075","MoKα","","0.0265","0.0245","","","0.0624","0.0634","","","","","","1.046","","","","has coordinates","191516","2020-10-21","18:00:00",""
"1544174","6.4809","0.0007","9.8124","0.0013","21.726","0.002","90","","90","","90","","1381.6","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Qian, Mingxing; Engler-Chiurazzi, Elizabeth B; Lewis, Sara E.; Rath, Nigam P.; Simpkins, James W.; Covey, Douglas F.","Structure-activity studies of non-steroid analogues structurally-related to neuroprotective estrogens.","Organic & biomolecular chemistry","2016","14","41","9790","9805","10.1039/c6ob01726f","","","0.71073","MoKα","","0.0749","0.0493","","","0.0855","0.0949","","","","","","1.006","","","","has coordinates","188283","2020-10-21","18:00:00",""
"1544181","9.2335","0.0005","11.214","0.0005","25.4777","0.0013","90","","90","","90","","2638.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 Fe N2 O8 -","- C26 H33 Fe N2 O8 -","- C104 H132 Fe4 N8 O32 -","4","1","","Srinivas, Palabindela; Prabhakar, Sunchu; Chevallier, Floris; Nassar, Ekhlass; Erb, William; Dorcet, Vincent; Jouikov, Viatcheslav; Radha Krishna, Palakodety; Mongin, Florence","Synthesis of ferrocene amides and esters from aminoferrocene and 2-substituted ferrocenecarboxylic acid and properties thereof","New J. Chem.","2016","40","11","9441","","10.1039/C6NJ02018F","","x-ray","0.71073","MoKα","","0.1327","0.1015","","","0.2636","0.2942","","","","","","1.037","","","","has coordinates","188265","2020-10-21","18:00:00",""
"1544188","12.7371","0.0006","14.7015","0.0007","26.1005","0.0012","90","","90","","90","","4887.4","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H77 N3 P2 Ti -","- C50 H77 N3 P2 Ti -","- C200 H308 N12 P8 Ti4 -","4","1","","Grant, Lauren N.; Pinter, Balazs; Kurogi, Takashi; Carroll, Maria E.; Wu, Gang; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.","Molecular titanium nitrides: nucleophiles unleashed.","Chemical science","2017","8","2","1209","1224","10.1039/c6sc03422e","","","0.71073","MoKα","","0.0647","0.0589","","","0.1456","0.1483","","","","","","1.142","","","","has coordinates","288221","2023-12-11","22:20:44",""
"1544224","3.6235","0.0011","8.272","0.004","8.844","0.004","90","","90","","90","","265.09","0.19","296","2","296","2","800000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","urea","urea","","- C H4 N2 O -","- C H4 N2 O -","- C4 H16 N8 O4 -","4","1","","Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej","H-Bond Breaking in High-Pressure Urea","The Journal of Physical Chemistry C","2009","113","35","15761","","10.1021/jp904942c","","","0.71073","MoKα","","0.0579","0.0538","","","0.1194","0.1215","","","","","","1.187","","","","has coordinates","186852","2020-10-21","18:00:00",""
"1544225","3.539","0.0007","8.234","0.0016","8.79","0.0018","90","","90","","90","","256.14","0.09","296","2","296","2","1480000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","urea","urea","","- C H4 N2 O -","- C H4 N2 O -","- C4 H16 N8 O4 -","4","1","","Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej","H-Bond Breaking in High-Pressure Urea","The Journal of Physical Chemistry C","2009","113","35","15761","","10.1021/jp904942c","","","0.71073","MoKα","","0.0395","0.0344","","","0.0868","0.09","","","","","","1.171","","","","has coordinates","186852","2020-10-21","18:00:00",""
"1544235","6.05221","0.00008","17.0223","0.0003","19.5981","0.0003","90","","90","","90","","2019.05","0.05","217.05","0.1","217.05","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","1","","Lian, Xiangjin; Lin, Lili; Fu, Kai; Ma, Baiwei; Liu, Xiaohua; Feng, Xiaoming","A new approach to the asymmetric Mannich reaction catalyzed by chiral N,N'-dioxide-metal complexes.","Chemical science","2017","8","2","1238","1242","10.1039/c6sc03902b","","x-ray","1.54184","CuKα","","0.0546","0.0524","","","0.1425","0.147","","","","","","1.045","","","","has coordinates","196344","2020-10-21","18:00:00",""
"1544256","6.1146","0.0009","28.3272","0.001","5.9614","0.0008","90","","90","","90","","1032.6","0.2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-Azaniumyl-2-methyl-3-phenylpropanoate monohydrate","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","BH4013","Fujii, Isao","(<i>S</i>)-2-Azaniumyl-2-methyl-3-phenylpropanoate monohydrate","IUCrData","2016","1","10","x161516","","10.1107/S2414314616015169","","","1.54184","CuKα","","0.0313","0.0285","","","0.0779","0.0818","","","","","","1.075","","","","has coordinates,has Fobs","187214","2020-10-21","18:00:00",""
"1544262","5.2167","0.0007","10.4562","0.0012","18.815","0.003","90","","90","","90","","1026.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Xu, Pan; Wang, Guoqiang; Wu, Zhongkai; li, Shuhua; Zhu, Chengjian","Rh(iii)-catalyzed double C‒H activation of aldehyde hydrazones: a route for functionalized 1H-indazole synthesis","Chem. Sci.","2017","8","2","1303","","10.1039/C6SC03888C","","","0.71073","MoKα","","0.0379","0.035","","","0.0828","0.0838","","","","","","1.146","","","","has coordinates","191528","2020-10-21","18:00:00",""
"1544280","9.6408","0.0009","12.6202","0.0012","22.256","0.002","90","","90","","90","","2707.9","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 Ni O2 P2 -","- C27 H46 Ni O2 P2 -","- C108 H184 Ni4 O8 P8 -","4","1","","Knopf, Ioana; Tofan, Daniel; Beetstra, Dirk; Al-Nezari, Abdulaziz; Al-Bahily, Khalid; Cummins, Christopher C.","A family of cis-macrocyclic diphosphines: modular, stereoselective synthesis and application in catalytic CO2/ethylene coupling","Chem. Sci.","2017","8","2","1463","","10.1039/C6SC03614G","","","0.71073","MoKα","","0.061","0.0477","","","0.1111","0.1182","","","","","","1.01","","","","has coordinates","191523","2020-10-21","18:00:00",""
"1544282","6.7075","0.0006","11.0451","0.001","20.4865","0.0017","90","","90","","90","","1517.7","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-(mu~4~-2-Thiobarbiturato-O,O',S,S)- (2-Thiobarbiturato-S)-tris(mu~2~-aqua)-aqua-di-sodium","","- C4 H7 N2 Na O4 S -","- C4 H7 N2 Na O4 S -","- C32 H56 N16 Na8 O32 S8 -","8","2","","N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; V.V. Atuchin; M.Y. Sidorenko","Hydrated pseudo-polymorphs [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties","Journal of Coordination Chemistry","2016","69","21","3219","3230","10.1080/00958972.2016.1228914","","","0.71073","MoKα","","0.1074","0.0592","","","0.1091","0.1262","","","","","","0.916","","","","has coordinates,has Fobs","282761","2023-04-20","06:46:01",""
"1544315","5.7992","0.0005","11.4342","0.0009","24.017","0.002","90","","90","","90","","1592.5","0.2","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Fe N O -","- C20 H19 Fe N O -","- C80 H76 Fe4 N4 O4 -","4","1","","Yang, Lei; Melot, Romain; Neuburger, Markus; Baudoin, Olivier","Palladium(0)-catalyzed asymmetric C(sp(3))-H arylation using a chiral binol-derived phosphate and an achiral ligand.","Chemical science","2017","8","2","1344","1349","10.1039/c6sc04006c","","","1.34143","GaKα","","0.0496","0.0428","","0.0542","0.0511","0.0498","","","","","","1.0725","","","","has coordinates","196348","2020-10-21","18:00:00",""
"1544317","8.4155","0.0005","10.1342","0.0006","25.9099","0.0015","90","","90","","90","","2209.7","0.2","100.2","0.8","100.2","0.8","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","vernavosine methyl iodide","","","- C22 H29 I N2 O5 -","- C22 H29 I N2 O5 -","- C88 H116 I4 N8 O20 -","4","1","","Nge, Choy-Eng; Sim, Kae-Shin; Lim, Siew-Huah; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","A Hexacyclic, Iboga-Derived Monoterpenoid Indole with a Contracted Tetrahydroazepine C-Ring and Incorporation of an Isoxazolidine Moiety, a Seco-Corynanthean, an Aspidosperma-Aspidosperma Bisindole with Anticancer Properties, and the Absolute Configuration of the Pyridopyrimidine Indole Alkaloid, Vernavosine.","Journal of natural products","2016","79","10","2709","2717","10.1021/acs.jnatprod.6b00674","","","0.71073","MoKα","","0.0434","0.0381","","","0.0835","0.0861","","","","","","1.061","","","","has coordinates","187935","2020-10-21","18:00:00",""
"1544318","7.6879","0.0008","13.0251","0.0014","18.905","0.002","90","","90","","90","","1893.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cononuridine methyl iodide","","","- C20 H23 I N2 O2 -","- C20 H23 I N2 O2 -","- C80 H92 I4 N8 O8 -","4","1","","Nge, Choy-Eng; Sim, Kae-Shin; Lim, Siew-Huah; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","A Hexacyclic, Iboga-Derived Monoterpenoid Indole with a Contracted Tetrahydroazepine C-Ring and Incorporation of an Isoxazolidine Moiety, a Seco-Corynanthean, an Aspidosperma-Aspidosperma Bisindole with Anticancer Properties, and the Absolute Configuration of the Pyridopyrimidine Indole Alkaloid, Vernavosine.","Journal of natural products","2016","79","10","2709","2717","10.1021/acs.jnatprod.6b00674","","","0.71073","MoKα","","0.0606","0.0439","","","0.0974","0.1027","","","","","","0.938","","","","has coordinates","187935","2020-10-21","18:00:00",""
"1544356","9.091","0.0003","18.1061","0.0007","20.6924","0.0007","90","","90","","90","","3406","0.2","110","2","110.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 Br N O5 Si -","- C33 H46 Br N O5 Si -","- C132 H184 Br4 N4 O20 Si4 -","4","1","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Stereodivergent, Diels‒Alder-initiated organocascades employing α,β-unsaturated acylammonium salts: scope, mechanism, and application","Chem. Sci.","2017","8","2","1511","","10.1039/C6SC04273B","","","1.54178","CuKα","","0.0423","0.0328","","","0.0707","0.0774","","","","","","1.126","","","","has coordinates","191510","2020-10-21","18:00:00",""
"1544423","5.6649","0.0004","19.698","0.002","20.708","0.0015","90","","90","","90","","2310.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ZL-04171","","","- C12 H12 F N O3 -","- C12 H12 F N O3 -","- C96 H96 F8 N8 O24 -","8","2","","Wu, Hongmiao; Yang, Bin; Zhu, Lin; Lu, Ronghua; Li, Guigen; Lu, Hongjian","High-Valent Palladium-Promoted Formal Wagner-Meerwein Rearrangement.","Organic letters","2016","18","22","5804","","10.1021/acs.orglett.6b02706","","","1.54178","CuKα","","0.1291","0.0639","","","0.0809","0.1063","","","","","","0.941","","","","has coordinates","188912","2020-10-21","18:00:00",""
"1544463","7.8529","0.0008","15.3187","0.0015","20.944","0.002","90","","90","","90","","2519.5","0.4","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ysl-acid-unnatural","","- C25 H32 Cl2 N2 O6 -","- C25 H32 Cl2 N2 O6 -","- C100 H128 Cl8 N8 O24 -","4","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.095","0.0631","","","0.1638","0.1842","","","","","","1.027","","","","has coordinates,has disorder","193729","2020-10-21","18:00:00",""
"1544465","8.9658","0.0001","14.5779","0.0002","17.7311","0.0003","90","","90","","90","","2317.5","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ysl-cycloaddition-pro-CO2Me-unnatural","","- C25 H30 N2 O7 -","- C25 H30 N2 O7 -","- C100 H120 N8 O28 -","4","1","","Yang, Shouliang; Sankar, Kuppusamy; Skepper, Colin K.; Barker, Timothy J.; Lukesh, 3rd, John C; Brody, Daniel M.; Brütsch, Manuela M; Boger, Dale L.","Total synthesis of a key series of vinblastines modified at C4 that define the importance and surprising trends in activity.","Chemical science","2017","8","2","1560","1569","10.1039/C6SC04146A","","x-ray","1.54178","CuKα","","0.0305","0.0291","","","0.0714","0.0725","","","","","","1.046","","","","has coordinates","193729","2020-10-21","18:00:00",""
"1544476","9.7525","0.0012","12.6566","0.0016","18.224","0.002","90","","90","","90","","2249.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H20 Br N O2 -","- C29 H20 Br N O2 -","- C116 H80 Br4 N4 O8 -","4","1","","Shen, Hong-Qiang; Gao, Xiang; Liu, Cong; Hu, Shu-Bo; Zhou, Yong-Gui","A Hydrogenation/Oxidative Fragmentation Cascade for Synthesis of Chiral 4,5-Dihydro-1H-benzo[d]azepin-1-ones.","Organic letters","2016","18","22","5920","5923","10.1021/acs.orglett.6b03027","","","0.71073","MoKα","","0.0633","0.0416","","","0.0871","0.0958","","","","","","1.012","","","","has coordinates","189951","2020-10-21","18:00:00",""
"1544477","9.2696","0.0005","12.0477","0.0006","15.0296","0.0008","90","","90","","90","","1678.47","0.15","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Shen, Hong-Qiang; Gao, Xiang; Liu, Cong; Hu, Shu-Bo; Zhou, Yong-Gui","A Hydrogenation/Oxidative Fragmentation Cascade for Synthesis of Chiral 4,5-Dihydro-1H-benzo[d]azepin-1-ones.","Organic letters","2016","18","22","5920","5923","10.1021/acs.orglett.6b03027","","","1.54178","CuKα","","0.0569","0.0493","","","0.1351","0.1432","","","","","","1.051","","","","has coordinates","189951","2020-10-21","18:00:00",""
"1544486","9.8736","0.0003","18.0856","0.0006","27.7795","0.0009","90","","90","","90","","4960.6","0.3","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O9 -","- C24 H34 O9 -","- C192 H272 O72 -","8","2","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.1267","0.0721","","","0.1846","0.219","","","","","","1.009","","","","has coordinates","187848","2020-10-21","18:00:00",""
"1544487","10.3232","0.0002","11.0194","0.0002","19.2565","0.0003","90","","90","","90","","2190.53","0.07","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O10 -","- C20 H32 O10 -","- C80 H128 O40 -","4","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0337","0.0329","","","0.0855","0.0861","","","","","","1.085","","","","has coordinates,has disorder","187849","2020-10-21","18:00:00",""
"1544490","9.1352","0.0006","13.4879","0.001","20.6303","0.0014","90","","90","","90","","2542","0.3","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O9 -","- C25 H34 O9 -","- C100 H136 O36 -","4","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.067","0.0556","","","0.1431","0.1538","","","","","","1.039","","","","has coordinates","187852","2020-10-21","18:00:00",""
"1544494","5.7156","0.0001","18.5622","0.0002","23.127","0.0003","90","","90","","90","","2453.64","0.06","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O8 -","- C23 H34 O8 -","- C92 H136 O32 -","4","1","","Liu, Qing-Xin; Yang, Yong-Xun; Zhang, Jian-Ping; Chen, Li-Ping; Shen, Yun-Heng; Li, Hui-Liang; Zhang, Wei-Dong","Isolation, Structure Elucidation, and Absolute Configuration of Highly Oxygenated Germacranolides from Carpesium cernuum.","Journal of natural products","2016","79","10","2479","2486","10.1021/acs.jnatprod.6b00315","","","1.54178","CuKα","","0.0438","0.041","","","0.1091","0.1125","","","","","","1.035","","","","has coordinates","187856","2020-10-21","18:00:00",""
"1544518","6.9919","0.0003","11.5174","0.0004","20.7014","0.0007","90","","90","","90","","1667.05","0.11","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17.91 Cl Cu N7 O6 -","- C11 H17.91 Cl Cu N7 O6 -","- C44 H71.64 Cl4 Cu4 N28 O24 -","4","1","","Queyriaux, Nicolas; Andreiadis, Eugen; Torelli, Stephane; Pecaut, Jacques; Veldkamp, Brad S.; Margulies, Eric A.; Wasielewski, Michael R.; Chavarot-Kerlidou, Murielle; Artero, Vincent","CuAAC-based assembly and characterization of a ruthenium-copper dyad containing a diimine dioxime ligand framework","Faraday Discuss.","2016","","","","","10.1039/C6FD00204H","","x-ray","0.71073","MoKα","","0.0752","0.0571","","","0.1136","0.1208","","","","","","1.073","","","","has coordinates,has disorder","188031","2020-10-21","18:00:00",""
"1544527","9.6524","0.0006","22.6947","0.0013","29.0945","0.0017","90","","90","","90","","6373.4","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cyclolinopeptide acetonitrile disolvate","Cyclo-(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate","","- C61 H91 N11 O9 -","- C61 H91 N11 O9 -","- C244 H364 N44 O36 -","4","1","","Chitanda, Jackson Mulenga; Zhu, Jianfeng; Mausberg, Philip; Burnett, Peta-Gaye Gillian; Reaney, Martin J. T.","[1‒9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate","IUCrData","2016","1","11","x161706","","10.1107/S2414314616017065","","","1.54178","CuKα","","0.0811","0.0595","","","0.1537","0.1661","","","","","","1.048","","","","has coordinates,has Fobs","188340","2020-10-21","18:00:00",""
"1544536","8.8078","0.0018","9.5713","0.0019","23.675","0.005","90","","90","","90","","1995.9","0.7","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br N O3 -","- C24 H18 Br N O3 -","- C96 H72 Br4 N4 O12 -","4","1","","Chen, Xiang-Yu; Chen, Kun-Quan; Sun, De-Qun; Ye, Song","N-Heterocyclic carbene-catalyzed oxidative [3 + 2] annulation of dioxindoles and enals: cross coupling of homoenolate and enolate.","Chemical science","2017","8","3","1936","1941","10.1039/c6sc04135c","","","0.71073","MoKα","","0.0304","0.029","","","0.0664","0.0671","","","","","","1.094","","","","has coordinates","196372","2020-10-21","18:00:00",""
"1544549","5.13972","0.00017","7.2556","0.0002","5.06349","0.00016","90","","90","","90","","188.826","0.01","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Al(OH)3 delta phase","","delta-Al(OH)3","- Al H3 O3 -","- Al D3 O3 -","- Al4 D12 O12 -","4","1","","Matsui, M.; Komatsu, K.; Ikeda, E.; Sano-Furukawa, A.; Gotou, H.; Yagi, T.","The crystal structure of delta-Al(OH)3: Neutron diffraction measurements and ab initio calculations","American Mineralogist","2011","96","","854","859","","","","","","","","","","","","","","","","","","","","","","has coordinates","188428","2020-10-21","18:00:00",""
"1544553","9.6965","0.0004","17.3653","0.0007","19.2464","0.0008","90","","90","","90","","3240.8","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H32 O5 -","- C46 H32 O5 -","- C184 H128 O20 -","4","1","","Samoilichenko, Yuri; Kondratenko, Veronica; Ezernitskaya, Mariam; Lyssenko, Konstantin; Peregudov, Alexander; Khrustalev, Victor; Maleev, Victor; Moskalenko, Margarita; North, Michael; Tsaloev, Alan; Gugkaeva, Zalina T.; Belokon, Yuri","A mechanistic study of the Lewis acid‒Brønsted base‒Brønsted acid catalysed asymmetric Michael addition of diethyl malonate to cyclohexenone","Catal. Sci. Technol.","2017","7","1","90","","10.1039/C6CY01697A","","","0.71073","MoKα","","0.0891","0.0539","","","0.1281","0.1457","","","","","","1.018","","","","has coordinates","191454","2020-10-21","18:00:00",""
"1544650","9.362","0.0003","17.7187","0.0007","22.1796","0.0009","90","","90","","90","","3679.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2-Hydroxybenzoato-κ<i>O</i>)triphenyl(triphenylphosphine oxide-κ<i>O</i>)tin(IV)","","- C43 H35 O4 P Sn -","- C43 H35 O4 P Sn -","- C172 H140 O16 P4 Sn4 -","4","1","WM4029","Seye, Dame; Diop, Cheikh Abdoul Khadir; Diop, Libasse; Renald, David","(2-Hydroxybenzoato-κ<i>O</i>)triphenyl(triphenylphosphine oxide-κ<i>O</i>)tin(IV)","IUCrData","2016","1","11","x161840","","10.1107/S241431461601840X","","","0.71073","MoKα","","0.0648","0.0369","","","0.0566","0.0627","","","","","","1.048","","","","has coordinates,has Fobs","188631","2020-10-21","18:00:00",""
"1544653","5.8948","0.0001","17.7215","0.0004","22.0042","0.0005","90","","90","","90","","2298.66","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","","- C24 H24 N4 O S2 -","- C24 H24 N4 O S2 -","- C96 H96 N16 O4 S8 -","4","1","SJ4068","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; El-Emary, Talaat I.; R.Albayati, Mustafa","3-[2-(9<i>H</i>-Carbazol-9-yl)ethyl]-4-phenyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione dimethyl sulfoxide monosolvate","IUCrData","2016","1","11","x161835","","10.1107/S2414314616018356","","","1.54178","CuKα","","0.0751","0.0441","","","0.0974","0.1156","","","","","","1.03","","","","has coordinates,has Fobs","188634","2020-10-21","18:00:00",""
"1544660","13.7983","0.0008","18.7174","0.0011","19.3028","0.0011","90","","90","","90","","4985.3","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Cl11 N O P Pd -","- C45 H43 Cl11 N O P Pd -","- C180 H172 Cl44 N4 O4 P4 Pd4 -","4","1","","Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F.","Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters.","Chemical science","2017","8","3","1981","1985","10.1039/c6sc04466b","","","0.71073","MoKα","","0.0419","0.0328","","","0.0636","0.0666","","","","","","1.02","","","","has coordinates,has disorder","196361","2020-10-21","18:00:00",""
"1544661","6.077","0.0011","7.7665","0.0014","27.619","0.005","90","","90","","90","","1303.5","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N -","- C17 H17 N -","- C68 H68 N4 -","4","1","","Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F.","Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters.","Chemical science","2017","8","3","1981","1985","10.1039/c6sc04466b","","","1.54178","CuKα","","0.0273","0.0272","","","0.071","0.0711","","","","","","1.076","","","","has coordinates","196361","2020-10-21","18:00:00",""
"1544689","9.2372","0.0001","10.9057","0.0001","14.6437","0.0002","90","","90","","90","","1475.18","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-pallidopenillin A","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Sobolevskaya, Maria P.; Leshchenko, Elena V.; Hoai, Trinh P. T.; Denisenko, Vladimir A.; Dyshlovoy, Sergey A.; Kirichuk, Natalya N.; Khudyakova, Yuliya V.; Kim, Natalya Yu.; Berdyshev, Dmitrii V.; Pislyagin, Evgeny A.; Kuzmich, Aleksandra S.; Gerasimenko, Andrey V.; Popov, Roman S.; von Amsberg, Gunhild; Antonov, Alexandr S.; Afiyatullov, Shamil Sh.","Pallidopenillines: Polyketides from the Alga-Derived Fungus Penicillium thomii Maire KMM 4675","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00624","","","0.71073","MoKα","","0.0387","0.0361","","","0.1056","0.1082","","","","","","1.046","","","","has coordinates","188745","2020-10-21","18:00:00",""
"1544701","20.2513","0.0002","20.7166","0.0003","21.07611","0.00018","90","","90","","90","","8842.23","0.17","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C81.75 H139 F6 N17 O9.75 P -","- C81.75 H139 F6 N17 O9.75 P -","- C327 H556 F24 N68 O39 P4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0412","0.0377","","","0.1002","0.1036","","","","","","1.031","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544703","20.03081","0.00012","20.92663","0.00013","20.97159","0.00013","90","","90","","90","","8790.82","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C82 H140 B F4 N17 O10 -","- C82 H140 B F4 N17 O10 -","- C328 H560 B4 F16 N68 O40 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0553","0.0544","","","0.1574","0.1587","","","","","","1.061","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544704","20.1641","0.0003","20.8019","0.0003","21.1254","0.0003","90","","90","","90","","8861.1","0.2","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81.75 H139 N17 O13.75 Re -","- C81.75 H139 N17 O13.75 Re -","- C327 H556 N68 O55 Re4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0613","0.0594","","","0.1641","0.1662","","","","","","1.031","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544706","20.27229","0.00012","20.7328","0.00013","21.02695","0.00011","90","","90","","90","","8837.66","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C83 H140 F3 N17 O13 S -","- C83 H140 F3 N17 O13 S -","- C332 H560 F12 N68 O52 S4 -","4","1","","Kaabel, Sandra; Adamson, Jasper; Topić, Filip; Kiesilä, Anniina; Kalenius, Elina; Öeren, Mario; Reimund, Mart; Prigorchenko, Elena; Lõokene, Aivar; Reich, Hans J.; Rissanen, Kari; Aav, Riina","Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution","Chem. Sci.","2017","8","3","2184","","10.1039/C6SC05058A","","x-ray","1.54184","CuKα","","0.0502","0.0492","","","0.1432","0.1445","","","","","","1.04","","","","has coordinates,has disorder","193733","2020-10-21","18:00:00",""
"1544724","18.3977","0.0012","16.9305","0.0005","12.7043","0.0004","90","","90","","90","","3957.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 O16 -","- C36 H50 O16 -","- C144 H200 O64 -","4","1","","Esposito, Mélissa; Nothias, Louis-Félix; Nedev, Hirsto; Gallard, Jean-François; Leyssen, Pieter; Retailleau, Pascal; Costa, Jean; Roussi, Fanny; Iorga, Bogdan I.; Paolini, Julien; Litaudon, Marc","Euphorbia dendroides Latex as a Source of Jatrophane Esters: Isolation, Structural Analysis, Conformational Study, and Anti-CHIKV Activity.","Journal of natural products","2016","79","11","2873","","10.1021/acs.jnatprod.6b00644","","","1.54187","CuKα","","0.068","0.053","","","0.137","0.1607","","","","","","1.035","","","","has coordinates","188878","2020-10-21","18:00:00",""
"1544789","7.373","0.0006","10.7698","0.0007","17.1056","0.0012","90","","90","","90","","1358.28","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Benzyl-1,2,4-triazaspiro[4.5]dec-1-ene-3-thione","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","SJ4077","Mohamed, Shaaban K.; Akkurt, Mehmet; Jasinski, Jerry P.; Hassan, Alaa A.; Abdel-Aziz, Ahmed T.; Albayati, Mustafa R.","4-Benzyl-1,2,4-triazaspiro[4.5]dec-1-ene-3-thione","IUCrData","2016","1","12","x161968","","10.1107/S2414314616019684","","","1.54184","CuKα","","0.0801","0.0556","","","0.1231","0.1378","","","","","","1.023","","","","has coordinates,has Fobs","189167","2020-10-21","18:00:00",""
"1544806","12.6084","0.0003","19.7795","0.0006","24.1204","0.0006","90","","90","","90","","6015.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H53 B2 F24 N7 -","- C54 H53 B2 F24 N7 -","- C216 H212 B8 F96 N28 -","4","1","","Swarnakar, Anindya K.; Hering-Junghans, Christian; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Reactivity of a coordinated inorganic acetylene unit, HBNH, and the azidoborane cation [HB(N3)]().","Chemical science","2017","8","3","2337","2343","10.1039/c6sc04893e","","","1.54178","CuKα","","0.0489","0.048","","","0.1325","0.1337","","","","","","1.045","","","","has coordinates,has disorder","196366","2020-10-21","18:00:00",""
"1544815","6.1006","0.0001","15.0443","0.0002","16.0425","0.0002","90","","90","","90","","1472.37","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","","Luo, Qi; Wei, Xiao-Yi; Yang, Jing; Luo, Jin-Feng; Liang, Rui; Tu, Zheng-Chao; Cheng, Yong-Xian","Spiro Meroterpenoids from Ganoderma applanatum.","Journal of natural products","2017","80","1","61","70","10.1021/acs.jnatprod.6b00431","","","1.54178","CuKα","","0.0274","0.0274","","","0.0711","0.0711","","","","","","1.056","","","","has coordinates","191356","2020-10-21","18:00:00",""
"1544845","6.2439","0.0002","7.9982","0.0003","27.0113","0.001","90","","90","","90","","1348.94","0.08","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Methoxy-2-<i>p</i>-tolyl-4<i>H</i>-chromen-4-one","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","HB4104","Koh, Dongsoo","3-Methoxy-2-<i>p</i>-tolyl-4<i>H</i>-chromen-4-one","IUCrData","2016","1","12","x162019","","10.1107/S2414314616020198","","","0.71073","MoKα","","0.0663","0.0406","","","0.0924","0.1037","","","","","","1.045","","","","has coordinates,has Fobs","189335","2020-10-21","18:00:00",""
"1544914","10.5654","0.0007","12.0671","0.0008","25.9946","0.0015","90","","90","","90","","3314.1","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 O5 -","- C36 H54 O5 -","- C144 H216 O20 -","4","1","","Yang, Xing-Wei; Yang, Jing; Xu, Gang","Skeleton Reassignment of Type C Polycyclic Polyprenylated Acylphloroglucinols.","Journal of natural products","2017","80","1","108","113","10.1021/acs.jnatprod.6b00754","","","1.54178","CuKα","","0.1026","0.0952","","","0.2141","0.2192","","","","","","1.161","","","","has coordinates,has disorder","191358","2020-10-21","18:00:00",""
"1544923","14.152","0.003","18.712","0.004","24.381","0.005","90","","90","","90","","6456","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H97 N9 O17 -","- C54 H97 N9 O17 -","- C216 H388 N36 O68 -","4","1","","Motley, Jeremy L.; Stamps, Blake W.; Mitchell, Carter A.; Thompson, Alec T.; Cross, Jayson; You, Jianlan; Powell, Douglas R.; Stevenson, Bradley S.; Cichewicz, Robert H.","Opportunistic Sampling of Roadkill as an Entry Point to Accessing Natural Products Assembled by Bacteria Associated with Non-anthropoidal Mammalian Microbiomes","Journal of Natural Products","2016","","","","","10.1021/acs.jnatprod.6b00772","","","1.54178","CuKα","","0.161","0.1281","","","0.3038","0.3772","","","","","","1.238","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1544944","8.4235","0.0008","17.6443","0.0017","17.7369","0.0017","90","","90","","90","","2636.2","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N3 O7 -","- C26 H31 N3 O7 -","- C104 H124 N12 O28 -","4","1","","Yarlagadda, Suresh; Ramesh, B.; Ravikumar Reddy, C.; Srinivas, L.; Sridhar, B.; Subba Reddy, B. V.","Organocatalytic Enantioselective Amination of 2-Substituted Indolin-3-ones: A Strategy for the Synthesis of Chiral α-Hydrazino Esters.","Organic letters","2017","19","1","170","173","10.1021/acs.orglett.6b03473","","","0.71073","MoKα","","0.0369","0.0339","","","0.0915","0.0939","","","","","","1.031","","","","has coordinates","191402","2020-10-21","18:00:00",""
"1544945","8.0323","0.0014","11.0444","0.0015","21.437","0.004","90","","90","","90","","1901.7","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl2 N O -","- C23 H17 Cl2 N O -","- C92 H68 Cl8 N4 O4 -","4","1","","Tiwari, Virendra Kumar; Kamal, Neha; Kapur, Manmohan","One Substrate, Two Modes of C-H Functionalization: A Metal-Controlled Site-Selectivity Switch in C-H Arylation Reactions.","Organic letters","2017","19","1","262","265","10.1021/acs.orglett.6b03558","","","0.71073","MoKα","","0.0702","0.0395","","","0.0927","0.1163","","","","","","0.977","","","","has coordinates,has disorder","191403","2020-10-21","18:00:00",""
"1544955","17.38343","0.00014","17.46463","0.00015","23.5998","0.0002","90","","90","","90","","7164.79","0.1","294.1","0.1","294.1","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72 H88 Cl6 O22 -","- C72 H88 Cl6 O22 -","- C288 H352 Cl24 O88 -","4","1","","Li, Wan Shan; Wu, Jun; Li, Jun; Satyanandamurty, Tirumani; Shen, Li; Bringmann, Gerhard","Krishnadimer A, an Axially Chiral Non-biaryl Natural Product: Discovery and Biomimetic Synthesis.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03479","","x-ray","1.54178","CuKα","","0.0413","0.0394","","","0.1056","0.1075","","","","","","1.025","","","","has coordinates,has disorder","189710","2020-10-21","18:00:00",""
"1544956","9.2287","0.0001","12.5822","0.0002","28.2476","0.0003","90","","90","","90","","3280.04","0.07","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O11 -","- C35 H44 O11 -","- C140 H176 O44 -","4","1","","Li, Wan Shan; Wu, Jun; Li, Jun; Satyanandamurty, Tirumani; Shen, Li; Bringmann, Gerhard","Krishnadimer A, an Axially Chiral Non-biaryl Natural Product: Discovery and Biomimetic Synthesis.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03479","","x-ray","1.54178","CuKα","","0.0289","0.0284","","","0.0719","0.0724","","","","","","1.031","","","","has coordinates","189711","2020-10-21","18:00:00",""
"1544957","11.1304","0.0005","11.9608","0.0007","15.9285","0.0007","90","","90","","90","","2120.54","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","","Sengoden, Mani; Bhowmick, Abhisikta; Punniyamurthy, Tharmalingam","Stereospecific Copper-Catalyzed Domino Ring Opening and sp(3) C-H Functionalization of Activated Aziridines with N-Alkylanilines.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03458","","x-ray","0.71073","MoKα","","0.0773","0.0504","","","0.1012","0.1185","","","","","","1.051","","","","has coordinates","189712","2020-10-21","18:00:00",""
"1544964","5.6289","0.0001","16.3886","0.0002","17.0415","0.0002","90","","90","","90","","1572.07","0.04","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Li, Lu-Lu; Tao, Zhong-Lin; Han, Zhi-Yong; Gong, Liu-Zhu","Double Chiral Induction Enables a Stereoselective Carbonyl Allylation with Simple Alkenes under the Sequential Catalysis of Palladium Complex and Chiral Phosphoric Acid.","Organic letters","2016","","","","","10.1021/acs.orglett.6b03378","","","1.54184","CuKα","","0.0347","0.033","","","0.1013","0.1094","","","","","","1.07","","","","has coordinates","189718","2020-10-21","18:00:00",""
"1544966","9.0793","0.0009","10.4132","0.001","15.2584","0.0014","90","","90","","90","","1442.6","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","An, Qianjin; Liu, Delong; Shen, Jiefeng; Liu, Yangang; Zhang, Wanbin","The Construction of Chiral Fused Azabicycles Using a Pd-Catalyzed Allylic Substitution Cascade and Asymmetric Desymmetrization Strategy.","Organic letters","2017","19","1","238","241","10.1021/acs.orglett.6b03529","","","0.71073","MoKα","","0.0455","0.0356","","","0.0818","0.0876","","","","","","1.04","","","","has coordinates","191410","2020-10-21","18:00:00",""
"1544967","6.3817","0.0003","9.423","0.0004","28.5737","0.0012","90","","90","","90","","1718.27","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O2 S -","- C20 H21 N O2 S -","- C80 H84 N4 O8 S4 -","4","1","","An, Qianjin; Liu, Delong; Shen, Jiefeng; Liu, Yangang; Zhang, Wanbin","The Construction of Chiral Fused Azabicycles Using a Pd-Catalyzed Allylic Substitution Cascade and Asymmetric Desymmetrization Strategy.","Organic letters","2017","19","1","238","241","10.1021/acs.orglett.6b03529","","","0.71073","MoKα","","0.044","0.0366","","","0.0814","0.0864","","","","","","1.031","","","","has coordinates","191410","2020-10-21","18:00:00",""
"1544971","7.6132","0.0008","10.3234","0.0011","17.0932","0.0019","90","","90","","90","","1343.4","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Fe N O S -","- C14 H17 Fe N O S -","- C56 H68 Fe4 N4 O4 S4 -","4","1","","Sánchez-Rodríguez, E P; Hochberger-Roa, F; Corona-Sánchez, R; Barquera-Lozada, J E; Toscano, R. A.; Urrutigoïty, M; Gouygou, M.; Ortega-Alfaro, M C; López-Cortés, J G","Chiral bidentate [N,S]-ferrocene ligands based on a thiazoline framework. Synthesis and use in palladium-catalyzed asymmetric allylic alkylation.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1510","1519","10.1039/c6dt04119a","","","0.71073","MoKα","","0.0257","0.0234","","","0.0522","0.0529","","","","","","0.982","","","","has coordinates,has disorder","191655","2020-10-21","18:00:00",""
"1544972","10.2026","0.0006","15.2374","0.0009","8.0026","0.0005","90","","90","","90","","1244.09","0.13","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Fe N S -","- C14 H15 Fe N S -","- C56 H60 Fe4 N4 S4 -","4","1","","Sánchez-Rodríguez, E P; Hochberger-Roa, F; Corona-Sánchez, R; Barquera-Lozada, J E; Toscano, R. A.; Urrutigoïty, M; Gouygou, M.; Ortega-Alfaro, M C; López-Cortés, J G","Chiral bidentate [N,S]-ferrocene ligands based on a thiazoline framework. Synthesis and use in palladium-catalyzed asymmetric allylic alkylation.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1510","1519","10.1039/c6dt04119a","","","0.71073","MoKα","","0.042","0.0293","","","0.0654","0.0709","","","","","","1.025","","","","has coordinates","191655","2020-10-21","18:00:00",""
"1545003","11.152","0.0008","16.7802","0.0012","35.226","0.003","90","","90","","90","","6591.9","0.9","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C59 H90 N8 O15 -","- C59 H88 N8 O15 -","- C236 H352 N32 O60 -","4","1","","Jang, Jun-Pil; Nogawa, Toshihiko; Futamura, Yushi; Shimizu, Takeshi; Hashizume, Daisuke; Takahashi, Shunji; Jang, Jae-Hyuk; Ahn, Jong Seog; Osada, Hiroyuki","Octaminomycins A and B, Cyclic Octadepsipeptides Active against Plasmodium falciparum.","Journal of natural products","2017","80","1","134","140","10.1021/acs.jnatprod.6b00758","","","0.71073","MoKα","","0.1916","0.1145","","","0.2633","0.2857","","","","","","1.522","","","","has coordinates,has disorder","191357","2020-10-21","18:00:00",""
"1545004","5.1315","0.0006","14.049","0.0014","23.6852","0.0019","90","","90","","90","","1707.5","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F2 I N O3 -","- C16 H17 F2 I N O3 -","- C64 H68 F8 I4 N4 O12 -","4","1","","Sun, Guodong; Wei, Mingjie; Luo, Zhonghua; Liu, Yongjun; Chen, Zhijun; Wang, Zhongqing","An Alternative Scalable Process for the Synthesis of the Key Intermediate of Omarigliptin","Organic Process Research & Development","2016","20","12","2074","","10.1021/acs.oprd.6b00295","","","1.54178","CuKα","","0.0576","0.0454","","","0.1095","0.1204","","","","","","1.009","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545008","5.1645","0.0004","13.0453","0.0009","22.127","0.0016","90","","90","","90","","1490.75","0.19","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O9 -","- C15 H18 O9 -","- C60 H72 O36 -","4","1","","Verastegui-Omaña, Brisa; Rebollar-Ramos, Daniela; Pérez-Vásquez, Araceli; Martínez, Ana Laura; Madariaga-Mazón, Abraham; Flores-Bocanegra, Laura; Mata, Rachel","α-Glucosidase Inhibitors from Malbranchea flavorosea.","Journal of natural products","2017","80","1","190","195","10.1021/acs.jnatprod.6b00977","","","1.54178","CuKα","","0.0428","0.0406","","","0.1064","0.1093","","","","","","1.078","","","","has coordinates","191354","2020-10-21","18:00:00",""
"1545018","8.4001","0.0008","9.6239","0.0009","18.0037","0.0018","90","","90","","90","","1455.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-4-phenyl-1,5-benzodiazepine-2-thione","","- C17 H16 N2 S -","- C17 H16 N2 S -","- C68 H64 N8 S4 -","4","1","SJ4080","El Ghayati, Lhoussaine; Hamou Ahabchane, Noureddine; Lamine Doumbia, Mohamadou; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T.","1-Ethyl-4-phenyl-1,5-benzodiazepine-2-thione","IUCrData","2017","2","1","x161998","","10.1107/S2414314616019982","","","0.71073","MoKα","","0.0871","0.0454","","","0.1031","0.1165","","","","","","1.016","","","","has coordinates,has Fobs","190048","2020-10-21","18:00:00",""
"1545060","7.689","0.002","7.719","0.002","7.654","0.004","90","","90","","90","","454.3","0.3","","","212","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- As H6 N O4 -","- As H6 N O4 -","- As4 H24 N4 O16 -","4","1","","Fukami, Takanori","Refinement of the crystal structure of NH4H2AsO4 above and below antiferroelectric phase-transition temperature","Journal of the Physical Society of Japan","1989","58","","3429","3430","10.1143/JPSJ.58.3429","","x-ray","0.71069","MoKα","","","0.041","","","","","","","","","","","","","","has coordinates","190630","2020-10-21","18:00:00",""
"1545067","8.5445","0.0001","9.1514","0.0002","19.7296","0.0004","90","","90","","90","","1542.74","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N3 O -","- C16 H18 Cl N3 O -","- C64 H72 Cl4 N12 O4 -","4","1","","Maury, Julien; Zawodny, Wojciech; Clayden, Jonathan","Stereospecific Intramolecular Arylation of 2- and 3-Pyridyl Substituted Alkylamines via Configurationally Stable α-Pyridyl Organolithiums.","Organic letters","2017","19","3","472","475","10.1021/acs.orglett.6b03603","","","1.54178","CuKα","","0.0261","0.0247","","","0.0617","0.0623","","","","","","1.04","","","","has coordinates","191393","2020-10-21","18:00:00",""
"1545090","11.355","0.003","13.612","0.003","16.835","0.004","90","","90","","90","","2602.1","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","isopropyl ((R)-(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-2-(hydroxymethyl)-4-methyltetrahydrofuran-3-yl)oxy)(phenoxy)phosphoryl)-D-alaninate","","- C22 H29 F N3 O9 P -","- C22 H29 F N3 O9 P -","- C88 H116 F4 N12 O36 P4 -","4","1","","McCabe Dunn, Jamie M.; Reibarkh, Mikhail; Sherer, Edward C.; Orr, Robert K.; Ruck, Rebecca T.; Simmons, Bryon; Bellomo, Ana","The protecting-group free selective 3′-functionalization of nucleosides","Chem. Sci.","2017","8","4","2804","","10.1039/C6SC05081F","","","1.54178","CuKα","","0.0575","0.0435","","","0.1022","0.1095","","","","","","1.008","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545094","12.7416","0.0003","15.3629","0.0004","22.5851","0.0006","90","","90","","90","","4420.99","0.19","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H50 Br Cl2 N3 O2 P2 Pd -","- C46 H50 Br Cl2 N3 O2 P2 Pd -","- C184 H200 Br4 Cl8 N12 O8 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0214","0.0205","","","0.0506","0.0511","","","","","","1.044","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1545095","7.6802","0.0004","15.4523","0.0007","18.383","0.0009","90","","90","","90","","2181.63","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Br2 N2 P2 Pd -","- C18 H28 Br2 N2 P2 Pd -","- C72 H112 Br8 N8 P8 Pd4 -","4","1","","Ji, Yining; Li, Hongming; Hyde, Alan M.; Chen, Qinghao; Belyk, Kevin M.; Lexa, Katrina W.; Yin, Jingjun; Sherer, Edward C.; Williamson, R. Thomas; Brunskill, Andrew; Ren, Sumei; Campeau, Louis-Charles; Davies, Ian W.; Ruck, Rebecca T.","A rational pre-catalyst design for bis-phosphine mono-oxide palladium catalyzed reactions","Chem. Sci.","2017","8","4","2841","","10.1039/C6SC05472B","","","1.54178","CuKα","","0.0263","0.0246","","","0.0556","0.057","","","","","","1.085","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1545097","8.7715","0.0004","15.9157","0.0008","36.3389","0.0018","90","","90","","90","","5073.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O6 S2 -","- C26 H24 N2 O6 S2 -","- C208 H192 N16 O48 S16 -","8","2","","Liu, Ren-Rong; Hu, Jiang-Ping; Hong, Jian-Jun; Lu, Chuan-Jun; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective [2 + 2] cycloaddition of N-allenamides with cyclic N-sulfonylketimines: access to polysubstituted azetidines bearing quaternary stereocenters","Chem. Sci.","2017","8","4","2811","","10.1039/C6SC05450A","","","0.71073","MoKα","","0.0542","0.042","","","0.0976","0.1043","","","","","","1.065","","","","has coordinates","195000","2020-10-21","18:00:00",""
"1545129","5.18734","0.00007","20.1639","0.0002","21.6358","0.0002","90","","90","","90","","2263.04","0.04","123.01","0.02","123.01","0.02","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O5 -","- C26 H30 O5 -","- C104 H120 O20 -","4","1","","Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté","Flavonoids from Erythrina schliebenii.","Journal of natural products","2017","80","2","377","383","10.1021/acs.jnatprod.6b00839","","","1.54184","CuKα","","0.0369","0.0348","","","0.0949","0.0968","","","","","","1.042","","","","has coordinates","193526","2020-10-21","18:00:00",""
"1545143","5.8387","0.0001","15.6232","0.0003","25.7309","0.0006","90","","90","","90","","2347.15","0.08","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 O2 -","- C31 H28 O2 -","- C124 H112 O8 -","4","1","","Guo, Rui; Zheng, Xinxin; Zhang, Dayong; Zhang, Guozhu","Rhodium(i)-catalyzed stereoselective [4+2] cycloaddition of oxetanols with alkynes through C(sp(3))-C(sp(3)) bond cleavage.","Chemical science","2017","8","4","3002","3006","10.1039/c6sc05246k","","","1.54178","CuKα","","0.0445","0.0395","","","0.0904","0.0928","","","","","","0.99","","","","has coordinates","196343","2020-10-21","18:00:00",""
"1545145","7.8669","0.0009","7.5848","0.0008","8.3771","0.001","90","","90","","90","","499.85","0.1","","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- O5 P Rb V -","- O5 P Rb V -","- O20 P4 Rb4 V4 -","4","1","","Lii, Kwang-Hwa; Liu, Wei-Chuan","RbVOPO4 and CsVOPO4, two vanadyl(IV) orthophosphates with an intersecting tunnel structure and discrete VO5 pyramids","Journal of Solid State Chemistry","1993","103","","38","44","10.1006/jssc.1993.1076","","x-ray","0.7093","MoKα","","","0.029","","","0.027","","","","","","","1.45","","","","has coordinates","190879","2020-10-21","18:00:00",""
"1545146","7.3665","0.0015","7.6146","0.0015","9.8035","0.0017","90","","90","","90","","549.91","0.18","","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs O5 P V -","- Cs O5 P V -","- Cs4 O20 P4 V4 -","4","1","","Lii, Kwang-Hwa; Liu, Wei-Chuan","RbVOPO4 and CsVOPO4, two vanadyl(IV) orthophosphates with an intersecting tunnel structure and discrete VO5 pyramids","Journal of Solid State Chemistry","1993","103","","38","44","10.1006/jssc.1993.1076","","x-ray","0.7093","MoKα","","","0.029","","","0.026","","","","","","","1.53","","","","has coordinates","190880","2020-10-21","18:00:00",""
"1545147","10.831","0.002","14.3307","0.0019","16.615","0.003","90","","90","","90","","2578.9","0.7","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 N3 O6 -","- C27 H37 N3 O6 -","- C108 H148 N12 O24 -","4","1","","Zhang, Dewu; Zhao, Lili; Wang, Lining; Fang, Xiaomei; Zhao, Jianyuan; Wang, Xinwei; Li, Li; Liu, Hongyu; Wei, Yuzhen; You, Xuefu; Cen, Shan; Yu, Liyan","Griseofulvin Derivative and Indole Alkaloids from Penicillium griseofulvum CPCC 400528.","Journal of natural products","2017","80","2","371","376","10.1021/acs.jnatprod.6b00829","","","1.54178","CuKα","","0.0435","0.0411","","","0.1079","0.1107","","","","","","1.033","","","","has coordinates","193528","2020-10-21","18:00:00",""
"1545174","13.0121","0.001","5.2339","0.0004","19.82","0.0016","90","","90","","90","","1349.82","0.18","142","2","142","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 B Cl O3 -","- C15 H12 B Cl O3 -","- C60 H48 B4 Cl4 O12 -","4","1","","Hazra, Gurupada; Maity, Sanjay; Bhowmick, Sudipto; Ghorai, Prasanta","Organocatalytic, enantioselective synthesis of benzoxaboroles via Wittig/oxa-Michael reaction Cascade of α-formyl boronic acids.","Chemical science","2017","8","4","3026","3030","10.1039/c6sc04522g","","","0.71073","MoKα","","0.0551","0.0394","","","0.1151","0.1266","","","","","","0.969","","","","has coordinates","196337","2020-10-21","18:00:00",""
"1545176","5.5604","0.0001","6.6895","0.0001","33.0826","0.0005","90","","90","","90","","1230.55","0.03","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(2R,3S,3aR,7aS)-5-Oxo-2-pentylhexahydro-4H-furo[2,3-b]pyran-3-carbaldehyde","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","x-ray","1.54184","CuKα","","0.0327","0.0306","","","0.0702","0.0711","","","","","","1.088","","","","has coordinates","196340","2020-10-21","18:00:00",""
"1545177","8.9615","0.00009","10.02283","0.0001","17.71277","0.00019","90","","90","","90","","1590.95","0.03","100.01","0.1","100.15","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(2S,3S,3aS,7aR)-3-(1,3-dioxolan-2-yl)-2-phenyltetrahydro-4H,6H-spiro[furo[2,3-b]pyran-5,2'-[1,3]dioxolane]","","- C18 H22 O6 -","- C18 H22 O6 -","- C72 H88 O24 -","4","1","","Orue, Ane; Uria, Uxue; Roca-López, David; Delso, Ignacio; Reyes, Efraím; Carrillo, Luisa; Merino, Pedro; Vicario, Jose L.","Racemic hemiacetals as oxygen-centered pronucleophiles triggering cascade 1,4-addition/Michael reaction through dynamic kinetic resolution under iminium catalysis. Development and mechanistic insights.","Chemical science","2017","8","4","2904","2913","10.1039/c7sc00009j","","","1.54184","CuKα","","0.0255","0.0246","","","0.0631","0.0638","","","","","","1.0626","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1545197","8.7141","0.0002","9.0869","0.0002","20.7089","0.0004","90","","90","","90","","1639.82","0.06","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Yuan, Qing-Qing; Tang, Shuai; Song, Wei-Bin; Wang, Wen-Qiong; Huang, Min; Xuan, Li-Jiang","Crassins A-H, Diterpenoids from the Roots of Croton crassifolius.","Journal of natural products","2017","80","2","254","260","10.1021/acs.jnatprod.6b00425","","","1.54178","CuKα","","0.0396","0.0369","","","0.0929","0.095","","","","","","1.048","","","","has coordinates","193527","2020-10-21","18:00:00",""
"1545198","9.9833","0.0005","12.0569","0.0008","16.3459","0.0013","90","","90","","90","","1967.5","0.2","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O5 -","- C21 H30 O5 -","- C84 H120 O20 -","4","1","","Yuan, Qing-Qing; Tang, Shuai; Song, Wei-Bin; Wang, Wen-Qiong; Huang, Min; Xuan, Li-Jiang","Crassins A-H, Diterpenoids from the Roots of Croton crassifolius.","Journal of natural products","2017","80","2","254","260","10.1021/acs.jnatprod.6b00425","","","1.54178","CuKα","","0.0339","0.0336","","","0.093","0.0933","","","","","","1.357","","","","has coordinates","193527","2020-10-21","18:00:00",""
"1545201","7.403","0.003","8.932","0.005","20.101","0.008","90","","90","0.008","90","","1329.2","1.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 N2 O4 -","- C11 H22 N2 O4 -","- C44 H88 N8 O16 -","4","1","","Wei, Wendi; Lin, Sheng; Chen, Minghua; Liu, Tianxi; Wang, Ali; Li, Jinjie; Guo, Qinglan; Shang, Xiaoya","Monascustin, an Unusual γ-Lactam from Red Yeast Rice.","Journal of natural products","2017","80","1","201","204","10.1021/acs.jnatprod.6b00493","","","1.54187","CuKα","","0.0401","0.037","","","0.0982","0.1021","","","","","","1.114","","","","has coordinates","191277","2020-10-21","18:00:00",""
"1545212","6.272","0.0005","7.7404","0.0006","40.175","0.003","90","","90","","90","","1950.4","0.3","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Br O4 -","- C21 H27 Br O4 -","- C84 H108 Br4 O16 -","4","1","","Lu, Yandong; Yuan, Haosen; Zhou, Shijie; Luo, Tuoping","Total Syntheses of (-)-Hibiscone C and Lysergine: A Cyclization/Fragmentation Strategy.","Organic letters","2017","19","3","620","623","10.1021/acs.orglett.6b03778","","","0.71073","MoKα","","0.0579","0.0434","","","0.0727","0.0783","","","","","","1.039","","","","has coordinates","191304","2020-10-21","18:00:00",""
"1545219","5.8802","0.0006","14.1927","0.0013","16.3278","0.0015","90","","90","","90","","1362.7","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Sun, Jun; Qiu, Jiang-Kai; Wu, Ya-Nan; Hao, Wen-Juan; Guo, Cheng; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Silver-Mediated Radical C(sp(3))-H Biphosphinylation and Nitration of β-Alkynyl Ketones for Accessing Functional Isochromenes.","Organic letters","2017","19","4","754","757","10.1021/acs.orglett.6b03546","","","0.71073","MoKα","","0.107","0.0543","","","0.0936","0.1023","","","","","","1.037","","","","has coordinates","193646","2020-10-21","18:00:00",""
"1545220","6.3717","0.0002","18.645","0.0004","22.0515","0.0005","90","","90","","90","","2619.73","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","","Hu, Zhengxi; Wu, Ye; Xie, Shuangshuang; Sun, Weiguang; Guo, Yi; Li, Xiao-Nian; Liu, Junjun; Li, Hua; Wang, Jianping; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Phomopsterones A and B, Two Functionalized Ergostane-Type Steroids from the Endophytic Fungus Phomopsis sp. TJ507A.","Organic letters","2017","19","1","258","261","10.1021/acs.orglett.6b03557","","","1.54178","CuKα","","0.041","0.0397","","","0.1193","0.1208","","","","","","1.051","","","","has coordinates","191312","2020-10-21","18:00:00",""
"1545222","10.818","0.003","14.183","0.004","15.569","0.004","90","","90","","90","","2388.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C112 H104 N8 O8 S4 -","4","1","","Wang, Gaonan; You, Xu; Gan, Yi; Liu, Yuanhong","Synthesis of δ- and α-Carbolines via Nickel-Catalyzed [2 + 2 + 2] Cycloaddition of Functionalized Alkyne-Nitriles with Alkynes.","Organic letters","2017","19","1","110","113","10.1021/acs.orglett.6b03385","","","0.71073","MoKα","","0.0539","0.0433","","","0.1074","0.1145","","","","","","1.024","","","","has coordinates","191314","2020-10-21","18:00:00",""
"1545231","7.5929","0.0003","11.2125","0.0005","23.7488","0.001","90","","90","","90","","2021.86","0.15","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 N O3 Si -","- C17 H31 N O3 Si -","- C68 H124 N4 O12 Si4 -","4","1","","Sagawa, Naoya; Sato, Haruka; Hosokawa, Seijiro","Remote Asymmetric Induction Using Acetate-Type Vinylketene Silyl N,O-Acetals.","Organic letters","2017","19","1","198","201","10.1021/acs.orglett.6b03476","","","1.54187","CuKα","","0.0535","0.0476","","","0.1254","0.1285","","","","","","1.208","","","","has coordinates","191323","2020-10-21","18:00:00",""
"1545233","10.867","0.002","13.296","0.003","17.981","0.004","90","","90","","90","","2598","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N3 O2 -","- C26 H41 N3 O2 -","- C104 H164 N12 O8 -","4","1","","Qiu, Guanyinsheng; Wang, Qian; Zhu, Jieping","Palladium-Catalyzed Three-Component Reaction of Propargyl Carbonates, Isocyanides, and Alcohols or Water: Switchable Synthesis of Pyrroles and Its Bicyclic Analogues.","Organic letters","2017","19","1","270","273","10.1021/acs.orglett.6b03592","","","0.71073","MoKα","","0.1092","0.0572","","","0.091","0.1069","","","","","","1.157","","","","has coordinates","191325","2020-10-21","18:00:00",""
"1545236","5.517","0.002","7.786","0.002","27.221","0.008","90","","90","","90","","1169.3","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Bao, Deng-Hui; Gu, Xue-Song; Xie, Jian-Hua; Zhou, Qi-Lin","Iridium-Catalyzed Asymmetric Hydrogenation of Racemic β-Keto Lactams via Dynamic Kinetic Resolution.","Organic letters","2017","19","1","118","121","10.1021/acs.orglett.6b03397","","","1.54187","CuKα","","0.0301","0.029","","","0.0773","0.0794","","","","","","1.086","","","","has coordinates","191328","2020-10-21","18:00:00",""
"1545275","10.274","0.002","26.322","0.005","30.561","0.006","90","","90","","90","","8265","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H61 Br O9 -","- C42 H61 Br O9 -","- C336 H488 Br8 O72 -","8","2","","Zheng, Dan; Han, Li; Qu, Xiaodan; Chen, Xiu; Zhong, Jialiang; Bi, Xiaoxu; Liu, Jiang; Jiang, Yi; Jiang, Chenglin; Huang, Xueshi","Cytotoxic Fusicoccane-Type Diterpenoids from Streptomyces violascens Isolated from Ailuropoda melanoleuca Feces","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.6b00676","","","0.71073","MoKα","","0.2157","0.0594","","","0.0939","0.1304","","","","","","0.912","","","","has coordinates","192202","2020-10-21","18:00:00",""
"1545285","8.75219","0.00016","11.3668","0.0002","19.708","0.0004","90","","90","","90","","1960.64","0.06","290.47","0.1","290.47","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C100 H84 N4 O8 -","4","1","","Li, Xiao-Yun; Yuan, Wen-Qiang; Tang, Sheng; Huang, Yi-Wei; Xue, Jia-Hui; Fu, Li Na; Guo, Qi-Xiang","Chiral Calcium Phosphate Catalyzed Asymmetric Alkenylation Reaction of Arylglyoxals with 3-Vinylindoles.","Organic letters","2017","19","5","1120","1123","10.1021/acs.orglett.7b00143","","x-ray","1.54184","CuKα","","0.0462","0.0422","","","0.1166","0.1203","","","","","","1.039","","","","has coordinates","193632","2020-10-21","18:00:00",""
"1545295","11.144","0.008","16.201","0.012","12.443","0.01","90","","90","","90","","2247","3","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 O7 -","- C25 H36 O7 -","- C100 H144 O28 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","0.71073","MoKα","","0.2116","0.0695","","","0.1364","0.1879","","","","","","0.93","","","","has coordinates","196138","2020-10-21","18:00:00",""
"1545296","15.2749","0.0018","15.1875","0.0017","10.1806","0.0012","90","","90","","90","","2361.8","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Cl O6 -","- C25 H31 Cl O6 -","- C100 H124 Cl4 O24 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.079","0.0649","","","0.142","0.1526","","","","","","1.058","","","","has coordinates","196138","2020-10-21","18:00:00",""
"1545297","10.9888","0.0004","12.7811","0.0004","15.604","0.0005","90","","90","","90","","2191.57","0.13","273","2","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 O7 -","- C25 H30 O7 -","- C100 H120 O28 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.045","0.0415","","","0.1028","0.1052","","","","","","1.055","","","","has coordinates","196138","2020-10-21","18:00:00",""
"1545301","15.231","0.002","15.231","","20.271","0.003","90","","90","","90","","4702.5","0.9","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H52 Cl4 Co2 N8 O P2 -","- C48 H51 Cl4 Co2 N8 O P2 -","- C192 H204 Cl16 Co8 N32 O4 P8 -","4","1","","Chen, Huafeng; Pan, Weijing; Huang, Kuo-Wei; Zhang, Xuequan; Gong, Dirong","Controlled polymerization of isoprene promoted by a type of hemilabile XPN3 (X = O, S) ligand supported cobalt(ii) complexes: the role of a hemilabile donor on the level of control","Polym. Chem.","2017","8","11","1805","","10.1039/C7PY00252A","","","0.71073","MoKα","","0.057","0.045","","","0.111","0.1213","","","","","","1.033","","","","has coordinates","195192","2020-10-21","18:00:00",""
"1545304","8.502","0.002","25.02","0.005","32.864","0.007","90","","90","","90","","6991","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N0 O3 -","- C20 H28 O3 -","- C320 H448 O48 -","16","4","","Zhang, Min; Liu, Jimei; Chen, Ridao; Zhao, Jinlian; Xie, Kebo; Chen, Dawei; Feng, Keping; Dai, Jungui","Two Furanharzianones with 4/7/5/6/5 Ring System from Microbial Transformation of Harzianone.","Organic letters","2017","19","5","1168","1171","10.1021/acs.orglett.7b00204","","","1.54187","CuKα","","0.1396","0.0955","","","0.2228","0.2496","","","","","","0.997","","","","has coordinates","193630","2020-10-21","18:00:00",""
"1545307","5.514","0.0011","12.418","0.003","15.372","0.003","90","","90","","90","","1052.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","HB4124","Gao, Min; Lu, Li-Ping","3-Hydroxy-2-[(4-hydroxybenzyl)azaniumyl]propanoate monohydrate","IUCrData","2017","2","2","x170271","","10.1107/S2414314617002711","","","0.72","synchrotron","","0.037","0.0357","","","0.096","0.0972","","","","","","1.105","","","","has coordinates,has Fobs","192434","2020-10-21","18:00:00",""
"1545318","6.1236","0.0001","20.4801","0.0002","21.9533","0.0002","90","","90","","90","","2753.21","0.06","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O3 -","- C30 H42 O3 -","- C120 H168 O12 -","4","1","","Zhang, Ya-Long; Zhou, Xu-Wei; Wu, Lin; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jun; Luo, Jian-Guang; Kong, Ling-Yi","Isolation, Structure Elucidation, and Absolute Configuration of Syncarpic Acid-Conjugated Terpenoids from Rhodomyrtus tomentosa.","Journal of natural products","2017","80","4","989","998","10.1021/acs.jnatprod.6b01005","","","1.54184","CuKα","","0.0438","0.0415","","","0.1234","0.1271","","","","","","1.05","","","","has coordinates","196135","2020-10-21","18:00:00",""
"1545327","8.7385","0.0001","8.77985","0.00012","65.4284","0.0006","90","","90","","90","","5019.84","0.1","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30.5 H30 N2 O4.5 -","- C30.5 H30 N2 O4.5 -","- C244 H240 N16 O36 -","8","2","","Rees, Matthew; Simpkins, Nigel S.; Male, Louise","An Asymmetric Organocatalysis Approach to the Prenylated Alkaloid Family.","Organic letters","2017","19","6","1338","1341","10.1021/acs.orglett.7b00193","","x-ray","1.54184","CuKα","","0.0484","0.0479","","","0.1081","0.1085","","","","","","1.102","","","","has coordinates,has disorder","194880","2020-10-21","18:00:00",""
"1545370","10.0273","0.0004","12.4499","0.0007","21.5324","0.0009","90","","90","","90","","2688.1","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 B2 N O5 -","- C25 H43 B2 N O5 -","- C100 H172 B8 N4 O20 -","4","1","","Yang, Yan; Anker, Mathew D.; Fang, Jian; Mahon, Mary F.; Maron, Laurent; Weetman, Catherine; Hill, Michael S.","Hydrodeoxygenation of isocyanates: snapshots of a magnesium-mediated CO bond cleavage","Chem. Sci.","2017","8","5","3529","","10.1039/C7SC00117G","","x-ray","0.71073","MoKα","","0.0879","0.0529","","","0.0897","0.101","","","","","","1.049","","","","has coordinates,has disorder","196332","2020-10-21","18:00:00",""
"1545383","9.7147","0.0003","10.0052","0.0003","16.3078","0.0005","90","","90","","90","","1585.08","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3,3b,4,5,6,7,7a,7b-octahydro-3a<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide","","- C17 H27 N O -","- C17 H27 N O -","- C68 H108 N4 O4 -","4","1","","Ait Elhad, Mustapha; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Oukhrib, Abdelouahd; Berraho, Moha","<i>N</i>-[(3a<i>R</i>*,3b<i>S</i>*)-1,3b,7,7-Tetramethyl-3a,3b,4,5,6,7,7a,7b-octahydro-3<i>H</i>-cyclopenta[3,4]cyclobuta[1,2]benzen-3a-yl]acetamide","IUCrData","2017","2","2","x170275","","10.1107/S2414314617002759","","","0.71073","MoKα","","0.0412","0.0383","","","0.0997","0.1028","","","","","","1.055","","","","has coordinates,has Fobs","192768","2020-10-21","18:00:00",""
"1545388","10.4011","0.0007","14.8949","0.001","29.04","0.002","90","","90","","90","","4499","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Al Cl Fe O4 S2 -","- C46 H64 Al Cl Fe O4 S2 -","- C184 H256 Al4 Cl4 Fe4 O16 S8 -","4","1","","Wei, Junnian; Riffel, Madeline N.; Diaconescu, Paula L.","Redox Control of Aluminum Ring-Opening Polymerization: A Combined Experimental and DFT Investigation","Macromolecules","2017","50","5","1847","","10.1021/acs.macromol.6b02402","","","0.71073","MoKα","","0.0729","0.0487","","","0.1152","0.1247","","","","","","1.022","","","","has coordinates","194861","2020-10-21","18:00:00",""
"1545391","8.42641","0.00016","10.9379","0.0002","21.7505","0.0004","90","","90","","90","","2004.68","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Tian, Hai-Yan; Ruan, Li-Jun; Yu, Tong; Zheng, Qing-Fei; Chen, Nan-Hao; Wu, Rui-Bo; Zhang, Xiao-Qi; Wang, Lei; Jiang, Ren-Wang; Ye, Wen-Cai","Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad Bufo bufo gargarizans.","Journal of natural products","2017","80","4","1182","1186","10.1021/acs.jnatprod.6b01018","","","1.54184","CuKα","","0.0404","0.0383","","","0.1054","0.1069","","","","","","1.058","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1545405","4.6736","0.0006","17.606","0.002","19.17","0.003","90","","90","","90","","1577.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O8 -","- C15 H17 N3 O8 -","- C60 H68 N12 O32 -","4","1","","Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang","Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes.","Organic letters","2017","19","6","1358","1361","10.1021/acs.orglett.7b00245","","","0.71073","MoKα","","0.0326","0.0266","","","0.0744","0.0931","","","","","","1.188","","","","has coordinates","194879","2020-10-21","18:00:00",""
"1545408","8.7285","0.0001","11.2868","0.0001","42.4644","0.0004","90","","90","","90","","4183.46","0.07","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H66 Na O13 -","- C41 H59 Na O13 -","- C164 H236 Na4 O52 -","4","1","","Igarashi, Yasuhiro; Matsuoka, Noriaki; In, Yasuko; Kataura, Tetsushi; Tashiro, Etsu; Saiki, Ikuo; Sudoh, Yuri; Duangmal, Kannika; Thamchaipenet, Arinthip","Nonthmicin, a Polyether Polyketide Bearing a Halogen-Modified Tetronate with Neuroprotective and Antiinvasive Activity from Actinomadura sp.","Organic letters","2017","19","6","1406","1409","10.1021/acs.orglett.7b00318","","","1.54184","CuKα","","0.0379","0.0359","","","0.1061","0.1082","","","","","","1.027","","","","has coordinates","194885","2020-10-21","18:00:00",""
"1545413","9.5867","0.0001","10.2119","0.0002","17.6325","0.0003","90","","90","","90","","1726.19","0.05","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Zhao, Jin-Xin; Fan, Yao-Yue; Xu, Jin-Biao; Gan, Li-She; Xu, Cheng-Hui; Ding, Jian; Yue, Jian-Min","Diterpenoids and Lignans from Cephalotaxus fortunei.","Journal of natural products","2017","80","2","356","362","10.1021/acs.jnatprod.6b00802","","","1.54178","CuKα","","0.0295","0.0292","","","0.0758","0.0761","","","","","","1.089","","","","has coordinates","193208","2020-10-21","18:00:00",""
"1545426","8.6924","0.0002","9.2483","0.0002","21.1651","0.0005","90","","90","","90","","1701.46","0.07","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O3 -","- C18 H24 N2 O3 -","- C72 H96 N8 O12 -","4","1","","Amatov, Tynchtyk; Pohl, Radek; Cisařová, Ivana; Jahn, Ullrich","Sequential Oxidative and Reductive Radical Cyclization Approach toward Asperparaline C and Synthesis of Its 8-Oxo Analogue.","Organic letters","2017","19","5","1152","1155","10.1021/acs.orglett.7b00187","","","0.71073","MoKα","","0.0338","0.0317","","","0.0829","0.0849","","","","","","1.041","","","","has coordinates","193349","2020-10-21","18:00:00",""
"1545427","11.627","0.002","32.192","0.006","8.9821","0.0018","90","","90","","90","","3362","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O14 -","- C31 H40 O14 -","- C124 H160 O56 -","4","1","","Song, Jian; Liu, Ye; Zhou, Ming; Cao, Hui; Peng, Xiao-Gang; Liang, Jing-Jing; Zhao, Xiao-Ya; Xiang, Ming; Ruan, Han-Li","Spiroschincarins A-E: Five Spirocyclic Nortriterpenoids from the Fruit of Schisandra incarnata.","Organic letters","2017","19","5","1196","1199","10.1021/acs.orglett.7b00250","","","1.54178","CuKα","","0.0727","0.0713","","","0.1973","0.1988","","","","","","1.073","","","","has coordinates","193350","2020-10-21","18:00:00",""
"1545428","8.6631","0.0005","12.2511","0.0006","27.7132","0.0016","90","","90","","90","","2941.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O12 -","- C30 H38 O12 -","- C120 H152 O48 -","4","1","","Song, Jian; Liu, Ye; Zhou, Ming; Cao, Hui; Peng, Xiao-Gang; Liang, Jing-Jing; Zhao, Xiao-Ya; Xiang, Ming; Ruan, Han-Li","Spiroschincarins A-E: Five Spirocyclic Nortriterpenoids from the Fruit of Schisandra incarnata.","Organic letters","2017","19","5","1196","1199","10.1021/acs.orglett.7b00250","","","1.54178","CuKα","","0.0618","0.0522","","","0.1344","0.1408","","","","","","1.04","","","","has coordinates","193350","2020-10-21","18:00:00",""
"1545433","6.0241","0.0005","10.6352","0.0008","26.263","0.002","90","","90","","90","","1682.6","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O -","- C19 H20 Br N O -","- C76 H80 Br4 N4 O4 -","4","1","","Yuan, Qianjia; Liu, Delong; Zhang, Wanbin","Iridium-Catalyzed Asymmetric Hydrogenation of β,γ-Unsaturated γ-Lactams: Scope and Mechanistic Studies.","Organic letters","2017","19","5","1144","1147","10.1021/acs.orglett.7b00171","","","0.71073","MoKα","","0.0574","0.0376","","","0.0683","0.0749","","","","","","1.035","","","","has coordinates","193355","2020-10-21","18:00:00",""
"1545446","7.028","0.0008","19.93","0.002","33.434","0.003","90","","90","","90","","4683","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 B10 N2 O -","- C9 H18 B10 N2 O -","- C108 H216 B120 N24 O12 -","12","3","","Li, Huan-Huan; Bai, Fan; Yan, Hong; Lu, Chang-Sheng","Base-Promoted Decarboxylative Azo-Coupling: Construction of Unsymmetrical Azocarboranes.","Organic letters","2017","19","4","862","865","10.1021/acs.orglett.7b00013","","","0.71073","MoKα","","0.1876","0.0851","","","0.2048","0.2616","","","","","","0.941","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1545451","10.6471","0.0008","17.0945","0.0012","17.2371","0.0012","90","","90","","90","","3137.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 Cl3 N2 O4 S2 -","- C29 H33 Cl3 N2 O4 S2 -","- C116 H132 Cl12 N8 O16 S8 -","4","1","","Bertuzzi, Giulio; Sinisi, Alessandro; Pecorari, Daniel; Caruana, Lorenzo; Mazzanti, Andrea; Bernardi, Luca; Fochi, Mariafrancesca","Nucleophilic Dearomatization of Pyridines under Enamine Catalysis: Regio-, Diastereo-, and Enantioselective Addition of Aldehydes to Activated N-Alkylpyridinium Salts.","Organic letters","2017","19","4","834","837","10.1021/acs.orglett.6b03824","","","0.71073","MoKα","","0.0773","0.0735","","","0.2111","0.2165","","","","","","1.075","","","","has coordinates","193370","2020-10-21","18:00:00",""
"1545457","9.0392","0.0006","14.708","0.0009","15.6959","0.001","90","","90","","90","","2086.7","0.2","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl F N2 O4 S -","- C23 H16 Cl F N2 O4 S -","- C92 H64 Cl4 F4 N8 O16 S4 -","4","1","","Zhang, Bobo; Zhang, Xiang; Hu, Bei; Sun, Desong; Wang, Senlin; Zhang-Negrerie, Daisy; Du, Yunfei","PhI(OCOCF3)2-Mediated Construction of a 2-Spiropseudoindoxyl Skeleton via Cascade Annulation of 2-Sulfonamido-N-phenylpropiolamide Derivatives.","Organic letters","2017","19","4","902","905","10.1021/acs.orglett.7b00058","","","0.71073","MoKα","","0.0218","0.0214","","","0.0579","0.0581","","","","","","1.058","","","","has coordinates","193376","2020-10-21","18:00:00",""
"1545501","13.373","0.003","13.996","0.003","17.219","0.004","90","","90","","90","","3222.9","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>S</i>)-3,3-Dichloro-4,11,11-trimethyl­tricyclo[5.4.0.0^2,4^]undecan-7-yl]ethanone","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C128 H192 Cl16 O8 -","8","2","RZ4010","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Ait Elhad, Mustapha; Oukhrib, Abdelouahd; Berraho, Moha","1-[(1<i>R</i>,2<i>S</i>,4<i>R</i>,7<i>S</i>)-3,3-Dichloro-4,11,11-trimethyltricyclo[5.4.0.0^2,4^]undecan-7-yl]ethanone","IUCrData","2017","2","2","x170198","","10.1107/S2414314617001985","","","0.71073","MoKα","","0.0361","0.0321","","","0.0808","0.0842","","","","","","1.039","","","","has coordinates,has Fobs","193965","2020-10-21","18:00:00",""
"1545509","9.509","0.003","13.094","0.004","15.323","0.005","90","","90","","90","","1907.9","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O3 S -","- C22 H21 N O3 S -","- C88 H84 N4 O12 S4 -","4","1","","Yang, Zhusheng; Chen, Fei; Zhang, Shuxin; He, Yanmei; Yang, Nianfa; Fan, Qing-Hua","Ruthenium-Catalyzed Enantioselective Hydrogenation of Phenanthridine Derivatives","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00419","","","0.71073","MoKα","","0.1001","0.0918","","","0.1261","0.1289","","","","","","1.272","","","","has coordinates","194012","2020-10-21","18:00:00",""
"1545518","10.807","0.0002","27","0.0005","28.2406","0.0005","90","","90","","90","","8240.3","0.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H54 N2 O5 -","- C52 H54 N2 O5 -","- C416 H432 N16 O40 -","8","2","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.1622","0.0734","","","0.1752","0.2217","","","","","","0.956","","","","has coordinates","194996","2020-10-21","18:00:00",""
"1545520","10.7343","0.0003","12.0336","0.0003","28.9712","0.0007","90","","90","","90","","3742.28","0.17","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Cl F3 N5 O2 -","- C19 H13 Cl F3 N5 O2 -","- C152 H104 Cl8 F24 N40 O16 -","8","2","","Noda, Hidetoshi; Amemiya, Fuyuki; Weidner, Karin; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic asymmetric synthesis of CF3-substituted tertiary propargylic alcohols via direct aldol reaction of α-N3 amide","Chem. Sci.","2017","8","4","3260","","10.1039/C7SC00330G","","","1.54187","CuKα","","0.0974","0.0745","","","0.1069","0.1159","","","","","","0.89","","","","has coordinates","194996","2020-10-21","18:00:00",""
"1545527","13.7779","0.0004","14.7189","0.0004","21.2291","0.0006","90","","90","","90","","4305.2","0.2","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 N2 Na O7 P3 -","- C40 H58 N2 Na O7 P3 -","- C160 H232 N8 Na4 O28 P12 -","4","1","","Hansmann, Max M.; Ruiz, David A.; Liu, Liu (Leo); Jazzar, Rodolphe; Bertrand, Guy","(Phosphanyl)phosphaketenes as building blocks for novel phosphorus heterocycles","Chem. Sci.","2017","8","5","3720","","10.1039/C7SC00300E","","x-ray","1.54178","CuKα","K-L~3~","0.0649","0.0622","","","0.1736","0.1762","","","","","","1.055","","","","has coordinates,has disorder","196324","2020-10-21","18:00:00",""
"1545549","28.579","0.008","28.912","0.008","33.323","0.008","90","","90","","90","","27534","13","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H48 N8 S9 U2 -","- C61 H48 N8 S9 U2 -","- C732 H576 N96 S108 U24 -","12","3","","Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B.","Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes","Chem. Sci.","2017","8","5","3609","","10.1039/C7SC00382J","","","1.54187","CuKα","","0.1886","0.1684","","","0.4167","0.4471","","","","","","1.456","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1545557","6.1673","0.0003","13.0059","0.0007","17.6433","0.0009","90","","90","","90","","1415.19","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide","","- C13 H11 Cl2 N O2 S -","- C13 H11 Cl2 N O2 S -","- C52 H44 Cl8 N4 O8 S4 -","4","1","","Shakuntala, K.; Naveen, S.; Lokanath, N. K.; Suchetan, P. A.","3,5-Dichloro-<i>N</i>-(4-methylphenyl)benzenesulfonamide","IUCrData","2017","2","3","x170375","","10.1107/S2414314617003753","","","1.54178","CuKα","","0.0526","0.0515","","","0.1367","0.1379","","","","","","0.992","","","","has coordinates,has Fobs","194189","2020-10-21","18:00:00",""
"1545560","4.7931","0.0007","10.4177","0.0015","33.685","0.005","90","","90","","90","","1682","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","","- C17 H16 Cl N5 O3 -","- C17 H16 Cl N5 O3 -","- C68 H64 Cl4 N20 O12 -","4","1","","Sun, Yanwen; Wu, Haolei; Wei, Changheng; Gao, Mei; Shen, Zeyi; Li, Hongsen","4-Chloro-5-(morpholin-4-yl)-2-[(5-phenyl-1,3,4-oxadiazole-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","IUCrData","2017","2","3","x170370","","10.1107/S2414314617003704","","","0.71073","MoKα","","0.0455","0.0409","","","0.0934","0.0962","","","","","","1.073","","","","has coordinates,has Fobs","194192","2020-10-21","18:00:00",""
"1545564","10.3342","0.0004","12.1948","0.0005","23.5406","0.001","90","","90","","90","","2966.7","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 N3 O -","- C38 H31 N3 O -","- C152 H124 N12 O4 -","4","1","","Zhu, Zi-Qi; Shen, Yang; Liu, Jin-Xi; Tao, Ji-Yu; Shi, Feng","Enantioselective Direct α-Arylation of Pyrazol-5-ones with 2-Indolylmethanols via Organo-Metal Cooperative Catalysis.","Organic letters","2017","19","7","1542","1545","10.1021/acs.orglett.7b00351","","","1.54178","CuKα","","0.0348","0.0338","","","0.0945","0.0961","","","","","","1.016","","","","has coordinates","196184","2020-10-21","18:00:00",""
"1545566","6.646","0.0007","7.0733","0.0008","17.4356","0.0019","90","","90","","90","","819.63","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Potassium tetracyanidoaurate(III) monohydrate","","- C4 H2 Au K N4 O -","- C4 H2 Au K N4 O -","- C16 H8 Au4 K4 N16 O4 -","4","1","WM4042","Matsushita, Nobuyuki; Noguchi, Wataru; Tanaka, Rikako","Potassium tetracyanidoaurate(III) monohydrate: a redetermination","IUCrData","2017","2","3","","","10.1107/S2414314617003820","","","0.71075","MoKα","","0.018","0.0151","","","0.0317","0.0335","","","","","","1.027","","","","has coordinates,has Fobs","194258","2020-10-21","18:00:00",""
"1545574","7.0297","0.0016","10.925","0.003","15.255","0.003","90","","90","","90","","1171.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","","Li, Jian Long; Shi, Hong Wei; Wang, Qi; Chai, Yong Hai; Yang, Jun","Synthesis of the ABC Tricyclic System of Daphnicyclidin A.","Organic letters","2017","19","7","1497","1499","10.1021/acs.orglett.7b00230","","","0.71073","MoKα","","0.0393","0.0334","","","0.0757","0.0791","","","","","","1.039","","","","has coordinates","196189","2020-10-21","18:00:00",""
"1545580","7.5659","0.0001","9.9805","0.0002","10.2418","0.0002","90","","90","","90","","773.37","0.02","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O5 -","- C7 H10 O5 -","- C28 H40 O20 -","4","1","","Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CO2: ring-opening polymerisation and copolymerisation of cyclic carbonates derived from 2-deoxy-d-ribose","Polym. Chem.","2017","8","13","2093","","10.1039/C7PY00236J","","x-ray","1.54184","CuKα","","0.0244","0.0241","","","0.0615","0.062","","","","","","1.06","","","","has coordinates","195190","2020-10-21","18:00:00",""
"1545581","5.8577","0.0001","11.0062","0.0001","11.8828","0.0001","90","","90","","90","","766.096","0.016","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O5 -","- C7 H10 O5 -","- C28 H40 O20 -","4","1","","Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CO2: ring-opening polymerisation and copolymerisation of cyclic carbonates derived from 2-deoxy-d-ribose","Polym. Chem.","2017","8","13","2093","","10.1039/C7PY00236J","","x-ray","1.54184","CuKα","","0.0239","0.0238","","","0.059","0.059","","","","","","1.108","","","","has coordinates","195190","2020-10-21","18:00:00",""
"1545584","10.717","0.002","15.289","0.003","15.415","0.003","90","","90","","90","","2525.8","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CoCoOPh","CoCoOPh","","- C27 H29 Co2 N7 O -","- C27 H29 Co2 N7 O -","- C108 H116 Co8 N28 O4 -","4","1","","Desai, Sai Puneet; Malonzo, Camille; Webber, Thomas; Duan, Jiaxin; Thompson, Anthony B.; Tereniak, Stephen J.; DeStefano, Matthew R.; Buru, Cassandra T.; Li, Zhanyong; Penn, R. Lee; Farha, Omar; Hupp, J. T.; Stein, Andreas; Lu, Connie","Assembly of Dicobalt and Cobalt-Aluminum Oxide Clusters on Metal-Organic Framework and Nanocast Silica Supports","Faraday Discuss.","2017","","","","","10.1039/C7FD00055C","","","0.71073","MoKα","","0.0345","0.0284","","","0.0621","0.0647","","","","","","1.03","","","","has coordinates","194315","2020-10-21","18:00:00",""
"1545616","7.615","0.006","9.703","0.007","52","0.03","90","","90","","90","","3842","5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H44 Fe2 N4 O2 S2 -","- C42 H44 Fe2 N4 O2 S2 -","- C168 H176 Fe8 N16 O8 S8 -","4","1","","Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng","Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers","New J. Chem.","2017","41","9","3333","","10.1039/C6NJ03539F","","","0.71073","MoKα","","0.0632","0.058","","","0.1338","0.137","","","","","","1.115","","","","has coordinates","196499","2020-10-21","18:00:00",""
"1545617","9.707","0.002","14.545","0.003","20.921","0.004","90","","90","","90","","2953.8","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Fe2 N4 O2 S2 -","- C30 H32 Fe2 N4 O2 S2 -","- C120 H128 Fe8 N16 O8 S8 -","4","1","","Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng","Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers","New J. Chem.","2017","41","9","3333","","10.1039/C6NJ03539F","","","0.71073","MoKα","","0.0333","0.0263","","","0.0537","0.0563","","","","","","1.02","","","","has coordinates","196499","2020-10-21","18:00:00",""
"1545618","9.7134","0.0008","14.5357","0.0012","20.8935","0.0017","90","","90","","90","","2950","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Fe2 N4 O2 S2 -","- C30 H32 Fe2 N4 O2 S2 -","- C120 H128 Fe8 N16 O8 S8 -","4","1","","Duan, Xin-E; Li, Rui; Tong, Hong-Bo; Li, Ying-Qi; Bai, Sheng-Di; Guo, Yu-Jing; Liu, Dian-Sheng","Synthesis and structural characterization of electrochemically reversible bisferrocenes containing bis(acyl-thiourea)s: enantiomers and conformers","New J. Chem.","2017","41","9","3333","","10.1039/C6NJ03539F","","","0.71073","MoKα","","0.0487","0.0331","","","0.0592","0.0647","","","","","","1.024","","","","has coordinates","196499","2020-10-21","18:00:00",""
"1545622","6.5995","0.0003","13.4865","0.0004","18.2435","0.0007","90","","90","","90","","1623.75","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C17 H24 Cl2 -","- C17 H24 Cl2 -","- C68 H96 Cl8 -","4","1","","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-11-methylenetricyclo[6.4.0.0^1,3^]dodec-9-ene","IUCrData","2017","2","3","x170421","","10.1107/S2414314617004217","","","0.71073","MoKα","","0.074","0.0435","","","0.0891","0.1017","","","","","","1.019","","","","has coordinates,has Fobs","194416","2020-10-21","18:00:00",""
"1545651","7.704","0.0018","9.325","0.002","25.54","0.006","90","","90","","90","","1834.8","0.7","296","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate","","- C17 H18 Br N O5 -","- C17 H18 Br N O5 -","- C68 H72 Br4 N4 O20 -","4","1","XU4024","Meng, Chen-Hong; Xia, Ai-Bao","<i>tert</i>-Butyl (2<i>S</i>,3<i>R</i>,4<i>R</i>)-7'-bromo-4-methyl-2',5-dioxo-4,5-dihydro-3<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate","IUCrData","2017","2","3","x170412","","10.1107/S2414314617004126","","","0.71073","MoKα","","0.1034","0.0417","","","0.0805","0.0982","","","","","","0.997","","","","has coordinates,has Fobs","194515","2020-10-21","18:00:00",""
"1545662","7.1873","0.0004","16.9756","0.001","26.5949","0.0016","90","","90","","90","","3244.8","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O10 -","- C32 H34 O10 -","- C128 H136 O40 -","4","1","","Xiao, Zheming; Li, Yayue; Gao, Shuanhu","Total Synthesis and Structural Determination of the Dimeric Tetrahydroxanthone Ascherxanthone A.","Organic letters","2017","19","7","1834","1837","10.1021/acs.orglett.7b00592","","","0.71073","MoKα","","0.1041","0.0702","","","0.1814","0.1994","","","","","","0.994","","","","has coordinates","196187","2020-10-21","18:00:00",""
"1545677","9.8614","0.0019","11.994","0.002","13.532","0.003","90","","90","","90","","1600.5","0.5","98","","98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Marichev, Kostiantyn O.; Ramey, Justin T.; Arman, Hadi; Doyle, Michael P.","Highly Regio-, Diastereo-, and Enantioselective Rhodium-Catalyzed Intramolecular Cyclopropanation of (Z)-1,3-Dienyl Aryldiazoacetates.","Organic letters","2017","19","6","1306","1309","10.1021/acs.orglett.7b00119","","","0.71075","MoKα","","0.0378","0.0365","","","0.0847","0.0855","","","","","","1.02","","","","has coordinates","194772","2020-10-21","18:00:00",""
"1545693","8.2479","0.0003","13.1646","0.0004","28.6827","0.0009","90","","90","","90","","3114.38","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O11 -","- C34 H37 N O11 -","- C136 H148 N4 O44 -","4","1","","Wang, Guo-Cai; Fan, Yao-Yue; Shyaula, Sajan L.; Yue, Jian-Min","Triconoids A‒D, Four Limonoids Possess Two Rearranged Carbon Skeletons from Trichilia connaroides","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00873","","","1.54178","CuKα","","0.0526","0.05","","","0.1471","0.1505","","","","","","1.092","","","","has coordinates","195247","2020-10-21","18:00:00",""
"1545717","6.2323","0.0002","9.6926","0.0003","29.7861","0.0008","90","","90","","90","","1799.29","0.09","296","1","296","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Cl F3 N O2 S -","- C17 H15 Cl F3 N O2 S -","- C68 H60 Cl4 F12 N4 O8 S4 -","4","1","","Han, Hong Sik; Lee, Young Jin; Jung, Young-Sik; Han, Soo Bong","Stereoselective Photoredox-Catalyzed Chlorotrifluoromethylation of Alkynes: Synthesis of Tetrasubstituted Alkenes.","Organic letters","2017","19","8","1962","1965","10.1021/acs.orglett.7b00470","","","0.71073","MoKα","","0.0614","0.0533","","","0.1339","0.1404","","","","","","1.077","","","","has coordinates","196171","2020-10-21","18:00:00",""
"1545739","6.8548","0.0005","7.4136","0.0009","30.569","0.003","90","","90","","90","","1553.5","0.3","289.63","0.1","289.63","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Jia, Zhi-Long; Wang, Yao; Zhao, Chuan-Gang; Zhang, Xiao-Hai; Xu, Peng-Fei","Highly Enantioselective Construction of Hajos-Wiechert Ketone Skeletons via an Organocatalytic Vinylogous Michael/Stetter Relay Sequence.","Organic letters","2017","19","8","2130","2133","10.1021/acs.orglett.7b00767","","","0.7107","MoKα","","0.0784","0.0542","","","0.1062","0.1231","","","","","","1.097","","","","has coordinates","196172","2020-10-21","18:00:00",""
"1545747","3.927","0.0001","16.2999","0.0006","19.0048","0.0006","90","","90","","90","","1216.49","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","1","","Maiti, Saikat; Achar, Tapas Kumar; Mal, Prasenjit","An Organic Intermolecular Dehydrogenative Annulation Reaction.","Organic letters","2017","19","8","2006","2009","10.1021/acs.orglett.7b00562","","","0.71073","MoKα","","0.0403","0.0289","","","0.0629","0.0822","","","","","","1.065","","","","has coordinates","196178","2020-10-21","18:00:00",""
"1545749","11.732","0.004","15.204","0.005","15.864","0.005","90","","90","","90","","2829.7","1.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 N O9 -","- C29 H39 N O9 -","- C116 H156 N4 O36 -","4","1","","Ma, Guo-Zhen; Li, Peng-Fei; Liu, Lu; Li, Wei-Dong Z; Chen, Li","Diastereoselective Synthesis of Cephalotaxus Esters via Asymmetric Mukaiyama Aldol Reaction.","Organic letters","2017","19","9","2250","2253","10.1021/acs.orglett.7b00743","","","0.7107","MoKα","","0.0932","0.0832","","","0.1737","0.1787","","","","","","1.213","","","","has coordinates","197487","2020-10-21","18:00:00",""
"1545760","7.65703","0.00012","9.51508","0.00016","26.1253","0.0004","90","","90","","90","","1903.42","0.05","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C104 H76 N4 O8 -","4","1","","Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua","Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01556A","","x-ray","1.54184","CuKα","","0.0298","0.0286","","","0.0703","0.071","","","","","","1.09","","","","has coordinates","195604","2020-10-21","18:00:00",""
"1545761","8.52078","0.0001","15.6118","0.0002","17.52","0.0002","90","","90","","90","","2330.59","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 B N O4 -","- C27 H30 B N O4 -","- C108 H120 B4 N4 O16 -","4","1","","Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua","Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01556A","","x-ray","1.54184","CuKα","","0.0324","0.0316","","","0.0795","0.0802","","","","","","1.062","","","","has coordinates","195604","2020-10-21","18:00:00",""
"1545762","11.0936","0.0003","14.6662","0.0002","14.75","0.0002","90","","90","","90","","2399.84","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 B N O6 -","- C25 H32 B N O6 -","- C100 H128 B4 N4 O24 -","4","1","","Kong, Duanyang; Han, Suna; Wang, Rui; Li, Meina; Zi, Guofu; Hou, Gouhua","Kinetic Resolution of 2-Substituted 1,2-Dihydroquinolines via Asymmetric Cu-Catalyzed Borylation Reaction","Chem. Sci.","2017","","","","","10.1039/C7SC01556A","","x-ray","1.54184","CuKα","","0.0394","0.0353","","","0.0832","0.0858","","","","","","1.061","","","","has coordinates","195604","2020-10-21","18:00:00",""
"1545883","10.8783","0.0003","11.8013","0.0003","26.178","0.0008","90","","90","","90","","3360.68","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 O6 -","- C36 H54 O6 -","- C144 H216 O24 -","4","1","","Guo, Yi; Zhang, Na; Chen, Chunmei; Huang, Jinfeng; Li, Xiao-Nian; Liu, Junjun; Zhu, Hucheng; Tong, Qingyi; Zhang, Jinwen; Luo, Zengwei; Xue, Yongbo; Zhang, Yonghui","Tricyclic Polyprenylated Acylphloroglucinols from St John's Wort, Hypericum perforatum.","Journal of natural products","2017","","","","","10.1021/acs.jnatprod.6b01178","","","1.54178","CuKα","","0.0333","0.033","","","0.0875","0.0878","","","","","","1.088","","","","has coordinates","195821","2020-10-21","18:00:00",""
"1545886","7.3483","0.0004","12.121","0.0007","18.3918","0.001","90","","90","","90","","1638.13","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br O3 -","- C19 H19 Br O3 -","- C76 H76 Br4 O12 -","4","1","","Schneider, Lisa M.; Schmiedel, Volker M.; Pecchioli, Tommaso; Lentz, Dieter; Merten, Christian; Christmann, Mathias","Asymmetric Synthesis of Carbocyclic Propellanes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00836","","","0.71073","MoKα","","0.0313","0.0262","","","0.0538","0.0553","","","","","","1.046","","","","has coordinates","195825","2020-10-21","18:00:00",""
"1545894","9.18796","0.00019","12.5494","0.0003","35.7355","0.0007","90","","90","","90","","4120.42","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H65 Cu2 I4 N15 -","- C20 H65 Cu2 I4 N15 -","- C80 H260 Cu8 I16 N60 -","4","1","","Jin, Xiaodong; Davies, Robert P.","Copper-catalysed aromatic-Finkelstein reactions with amine-based ligand systems","Catal. Sci. Technol.","2017","","","","","10.1039/C7CY00538E","","","0.71073","MoKα","","0.0351","0.0296","","","0.0423","0.0441","","","","","","1.003","","","","has coordinates,has disorder","195832","2020-10-21","18:00:00",""
"1545898","9.3782","0.0012","11.6315","0.0015","17.149","0.002","90","","90","","90","","1870.7","0.4","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C88 H92 N4 O8 Si4 -","4","1","","Rodriguez, Kevin X.; Kaltwasser, Nicolai; Toni, Tiffany A.; Ashfeld, Brandon L.","Rearrangement of an Intermediate Cyclopropyl Ketene in a Rh(II)-Catalyzed Formal [4 + 1]-Cycloaddition Employing Vinyl Ketenes as 1,4-Dipoles and Donor-Acceptor Metallocarbenes.","Organic letters","2017","19","10","2482","2485","10.1021/acs.orglett.7b00618","","","0.71073","MoKα","","0.0295","0.0285","","","0.0727","0.0734","","","","","","1.032","","","","has coordinates,has disorder","197480","2020-10-21","18:00:00",""
"1545901","6.1077","0.0007","15.287","0.002","21.901","0.002","90","","90","","90","","2044.9","0.4","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C88 H112 O16 -","4","1","","Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang","Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics.","Journal of medicinal chemistry","2017","","","","","10.1021/acs.jmedchem.7b00253","","x-ray","0.71073","MoKα","","0.109","0.072","","","0.1654","0.201","","","","","","1.045","","","","has coordinates","195873","2020-10-21","18:00:00",""
"1545907","5.4302","0.0004","15.9643","0.0012","19.0144","0.0014","90","","90","","90","","1648.3","0.2","100","","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 N2 O3 S -","- C14 H28 N2 O3 S -","- C56 H112 N8 O12 S4 -","4","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","x-ray","0.71073","MoKα","K-L~3~","0.0284","0.0268","","","0.0723","0.0747","","","","","","1.097","","","","has coordinates","197486","2020-10-21","18:00:00",""
"1545922","9.0661","0.0008","10.4931","0.0009","34.221","0.003","90","","90","","90","","3255.5","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 N O5 -","- C37 H39 N O5 -","- C148 H156 N4 O20 -","4","1","","Tan, Liang; Tao, Yunliang; Wang, Ting; Zou, Feng; Zhang, Shuhua; Kou, Qunhuan; Niu, Ao; Chen, Qian; Chu, Wenjing; Chen, Xiaoyan; Wang, Haidong; Yang, Yushe","Discovery of Novel Pyridone-Conjugated Monosulfactams as Potent and Broad-Spectrum Antibiotics for Multidrug-Resistant Gram-Negative Infections.","Journal of medicinal chemistry","2017","60","7","2669","2684","10.1021/acs.jmedchem.6b01261","","","1.54178","CuKα","","0.099","0.0937","","","0.2667","0.2754","","","","","","1.199","","","","has coordinates","196011","2020-10-21","18:00:00",""
"1545925","11.0269","0.0003","13.3801","0.0003","16.14","0.0004","90","","90","","90","","2381.31","0.1","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Cl2 O6 -","- C25 H30 Cl2 O6 -","- C100 H120 Cl8 O24 -","4","1","","Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing","Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.","Journal of natural products","2017","80","4","1039","1047","10.1021/acs.jnatprod.6b01061","","","1.54178","CuKα","","0.0786","0.0575","","","0.1103","0.1183","","","","","","1.081","","","","has coordinates","196014","2020-10-21","18:00:00",""
"1545928","4.7337","0.0002","6.2908","0.0002","33.7597","0.0012","90","","90","","90","","1005.32","0.06","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl N O -","- C10 H14 Cl N O -","- C40 H56 Cl4 N4 O4 -","4","1","","Wei, Yi; Zhang, Heng-Xia; Zeng, Jun-Liang; Nie, Jing; Ma, Jun-An","Organocatalytic Asymmetric Decarboxylative Amination of β-Keto Acids: Access to Optically Active α-Amino Ketones and 1,2-Amino Alcohols.","Organic letters","2017","19","8","2162","2165","10.1021/acs.orglett.7b00797","","","1.54184","CuKα","","0.0491","0.0476","","","0.1128","0.1134","","","","","","1.083","","","","has coordinates","196062","2020-10-21","18:00:00",""
"1545929","9.1478","0.0005","11.1509","0.0006","12.6918","0.0007","90","","90","","90","","1294.64","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O2 -","- C15 H15 Cl O2 -","- C60 H60 Cl4 O8 -","4","1","","Jia, Zhi-Long; Wang, Yao; Zhao, Chuan-Gang; Zhang, Xiao-Hai; Xu, Peng-Fei","Highly Enantioselective Construction of Hajos-Wiechert Ketone Skeletons via an Organocatalytic Vinylogous Michael/Stetter Relay Sequence.","Organic letters","2017","19","8","2130","2133","10.1021/acs.orglett.7b00767","","","0.71073","MoKα","","0.0695","0.0479","","","0.0837","0.0968","","","","","","1.03","","","","has coordinates","196063","2020-10-21","18:00:00",""
"1545946","6.4551","0.0002","13.9906","0.0003","19.732","0.0006","90","","90","","90","","1782.01","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl2 N2 O4 -","- C19 H16 Cl2 N2 O4 -","- C76 H64 Cl8 N8 O16 -","4","1","","Gammack Yamagata, Adam D.; Dixon, Darren J.","Enantioselective Construction of the ABCDE Pentacyclic Core of the Strychnos Alkaloids.","Organic letters","2017","19","7","1894","1897","10.1021/acs.orglett.7b00669","","","1.54184","CuKα","","0.0495","0.0472","","0.1279","0.1257","0.1279","","","","","","0.9348","","","","has coordinates","196080","2020-10-21","18:00:00",""
"1545953","7.9238","0.0005","11.0281","0.0008","25.0507","0.0018","90","","90","","90","","2189","0.3","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C108 H104 N8 O16 -","4","1","","Wang, Dan; Hou, Min; Ji, Yue; Gao, Shuanhu","Total Synthesis of Scholarisine K and Alstolactine A.","Organic letters","2017","19","7","1922","1925","10.1021/acs.orglett.7b00722","","","1.54178","CuKα","","0.1022","0.0924","","","0.2385","0.2474","","","","","","1.006","","","","has coordinates","196086","2020-10-21","18:00:00",""
"1545954","5.3333","0.0004","19.6192","0.0016","23.4352","0.0018","90","","90","","90","","2452.1","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N O3 S -","- C27 H24 F3 N O3 S -","- C108 H96 F12 N4 O12 S4 -","4","1","","Wang, Huamin; Zhou, Wei; Tao, Mengna; Hu, Anjing; Zhang, Junliang","Functionalized Tetrahydropyridines by Enantioselective Phosphine-Catalyzed Aza-[4 + 2] Cycloaddition of N-Sulfonyl-1-aza-1,3-dienes with Vinyl Ketones.","Organic letters","2017","19","7","1710","1713","10.1021/acs.orglett.7b00489","","","0.71073","MoKα","","0.0597","0.0378","","","0.0778","0.087","","","","","","1.014","","","","has coordinates,has disorder","196087","2020-10-21","18:00:00",""
"1545957","7.6027","0.0003","16.7807","0.0006","21.1178","0.0005","90","","90","","90","","2694.18","0.16","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 Br N3 O3 -","- C32 H24 Br N3 O3 -","- C128 H96 Br4 N12 O12 -","4","1","","Liu, Jin-Yu; Zhao, Jing; Zhang, Jia-Lu; Xu, Peng-Fei","Quaternary Carbon Center Forming Formal [3 + 3] Cycloaddition Reaction via Bifunctional Catalysis: Asymmetric Synthesis of Spirocyclohexene Pyrazolones.","Organic letters","2017","19","7","1846","1849","10.1021/acs.orglett.7b00610","","","0.7107","MoKα","","0.0635","0.0457","","","0.0775","0.0857","","","","","","1.014","","","","has coordinates","196090","2020-10-21","18:00:00",""
"1545972","8.812","0.0002","11.495","0.0004","19.111","0.0005","90","","90","","90","","1935.83","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl N2 O3 -","- C23 H17 Cl N2 O3 -","- C92 H68 Cl4 N8 O12 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, M Carmen; Pedro, José R","Hydroxy-Directed Enantioselective Hydroxyalkylation in the Carbocyclic Ring of Indoles.","Organic letters","2017","19","7","1546","1549","10.1021/acs.orglett.7b00354","","","0.71073","MoKα","","0.0844","0.043","","","0.0976","0.1153","","","","","","0.908","","","","has coordinates","196102","2020-10-21","18:00:00",""
"1545974","6.2846","0.0003","11.2864","0.0006","14.5243","0.0008","90","","90","","90","","1030.22","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 B O3 P -","- C8 H14 B O3 P -","- C32 H56 B4 O12 P4 -","4","1","","Markley, Jana L.; Hanson, Paul R.","P-Stereogenic Bicyclo[4.3.1]phosphite Boranes: Synthesis and Utility of Tunable P-Tether Systems for the Desymmetrization of C2-Symmetric 1,3-anti-Diols.","Organic letters","2017","19","10","2552","2555","10.1021/acs.orglett.7b00851","","","1.54178","CuKα","","0.031","0.0299","","","0.0757","0.0767","","","","","","1.061","","","","has coordinates","197478","2020-10-21","18:00:00",""
"1545975","6.2929","0.001","11.2901","0.0017","14.454","0.002","90","","90","","90","","1026.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 B O3 P -","- C8 H14 B O3 P -","- C32 H56 B4 O12 P4 -","4","1","","Markley, Jana L.; Hanson, Paul R.","P-Stereogenic Bicyclo[4.3.1]phosphite Boranes: Synthesis and Utility of Tunable P-Tether Systems for the Desymmetrization of C2-Symmetric 1,3-anti-Diols.","Organic letters","2017","19","10","2552","2555","10.1021/acs.orglett.7b00851","","","1.54178","CuKα","","0.0267","0.0267","","","0.0701","0.0701","","","","","","1.078","","","","has coordinates","197478","2020-10-21","18:00:00",""
"1545977","8.7243","0.0004","12.504","0.0005","26.5448","0.001","90","","90","","90","","2895.7","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 N2 O6 -","- C33 H36 N2 O6 -","- C132 H144 N8 O24 -","4","1","","Ejima, Hirotaka; Wakita, Fumihiro; Imamura, Ryo; Kato, Takuya; Hosokawa, Seijiro","Stereoselective Synthesis of Tabtoxinine-β-lactam by Using the Vinylogous Mukaiyama Aldol Reaction with Acetate-Type Vinylketene Silyl N,O-Acetal and α-Keto-β-lactam","Organic Letters","2017","","","","","10.1021/acs.orglett.7b00814","","","0.71075","MoKα","","0.0518","0.0462","","","0.122","0.127","","","","","","1.045","","","","has coordinates","196201","2020-10-21","18:00:00",""
"1545997","8.76","0.003","13.957","0.005","16.322","0.005","90","","90","","90","","1995.6","1.2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C84 H92 N4 O24 -","4","1","","Chen, Bo; Liu, Xin; Hu, Ya-Jian; Zhang, Dongmei; Deng, Lijuan; Lu, Jieyu; Min, Long; Ye, Wen-Cai; Li, Chuang-Chuang","Enantioselective Total Synthesis of (‒)-Colchicine, (+)-Demecolcinone and Metacolchicine: Determination of the Absolute Configurations of the Latter Two Alkaloids","Chem. Sci.","2017","","","","","10.1039/C7SC01341H","","","0.71073","MoKα","","0.0889","0.0795","","","0.24","0.2659","","","","","","1.087","","","","has coordinates","196548","2020-10-21","18:00:00",""
"1546019","9.2535","0.0002","11.5385","0.0003","24.9217","0.0007","90","","90","","90","","2660.93","0.12","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O8 -","- C30 H38 O8 -","- C120 H152 O32 -","4","1","","Sriyatep, Teerayut; Andersen, Raymond J.; Patrick, Brian O.; Pyne, Stephen G.; Muanprasat, Chatchai; Seemakhan, Sawinee; Borwornpinyo, Suparerk; Laphookhieo, Surat","Scalemic Caged Xanthones Isolated from the Stem Bark Extract of Garcinia propinqua.","Journal of natural products","2017","80","5","1658","1667","10.1021/acs.jnatprod.7b00240","","x-ray","1.54178","CuKα","","0.0313","0.0298","","","0.0756","0.0767","","","","","","1.031","","","","has coordinates","197451","2020-10-21","18:00:00",""
"1546020","5.0478","0.0001","14.4096","0.0003","16.6991","0.0004","90","","90","","90","","1214.64","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","An, Qianjin; Shen, Jiefeng; Liu, Delong; Liu, Yangang; Zhang, Wanbin","Construction of Chiral-Fused Tricyclic γ-Lactams via a trans-Perhydroindolic Acid-Catalyzed Asymmetric Domino Reaction.","Organic letters","2017","19","11","2925","2928","10.1021/acs.orglett.7b01160","","","1.54178","CuKα","","0.0411","0.0354","","","0.0909","0.0951","","","","","","1.027","","","","has coordinates","197501","2020-10-21","18:00:00",""
"1546040","12.6926","0.0001","21.4026","0.0002","47.9632","0.0003","90","","90","","90","","13029.4","0.18","100.9","0.6","100.9","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H68 N4 O5 Si2 -","- C37 H68 N4 O5 Si2 -","- C444 H816 N48 O60 Si24 -","12","3","","Fanelli, Roberto; Berthomieu, Dorothée; Didierjean, Claude; Doudouh, Abdelatif; Lebrun, Aurélien; Martinez, Jean; Cavelier, Florine","Hydrophobic α,α-Disubstituted Disilylated TESDpg Induces Incipient 310-Helix in Short Tripeptide Sequence","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01172","","","1.54184","CuKα","","0.0381","0.0357","","","0.0909","0.094","","","","","","1.06","","","","has coordinates,has disorder","196698","2020-10-21","18:00:00",""
"1546043","24.72245","0.00042","5.994222","0.00009","14.31013","0.00041","90","","90","","90","","2120.64","0.08","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C108 H72 O24 -","12","3","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.39992","","","","","","","","","","7.83","2.054","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546044","16.78223","0.00033","5.92141","0.00013","13.85224","0.00055","90","","90","","90","","1376.56","0.07","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C72 H48 O16 -","8","2","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.39992","","","","","","","","","","3.76","1.354","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546045","17.06176","0.00086","6.03613","0.00038","13.9083","0.0016","90","","90","","90","","1432.4","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C72 H48 O16 -","8","2","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","1.54056","","","","","","","","","","2.19","2.26","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546046","24.27024","0.00027","5.92062","0.000065","14.18934","0.00027","90","","90","","90","","2038.94","0.05","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C108 H72 O24 -","12","3","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","0.39992","","","","","","","","","","4.05","1.387","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546047","4.86771","0.00038","6.88178","0.00058","20.8508","0.0011","90","","90","","90","","698.47","0.09","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","coumarin","2H-chromene-2-one","","- C9 H6 O2 -","- C9 H6 O2 -","- C36 H24 O8 -","4","1","","Shtukenberg, Alexander G.; Zhu, Qiang; Carter, Damien J.; Vogt, Leslie; Hoja, Johannes; Schneider, Elia; Song, Hongxing; Pokroy, Boaz; Polishchuk, Iryna; Tkatchenko, Alexandre; Oganov, Artem R.; Rohl, Andrew L.; Tuckerman, Mark E.; Kahr, Bart","Powder diffraction and crystal structure prediction identify four new coumarin polymorphs","Chem. Sci.","2017","","","","","10.1039/C7SC00168A","powder diffraction","x-ray","1.54056","","","","","","","","","","4.31","1.765","","","","","","","has coordinates","196711","2020-10-21","18:00:00",""
"1546053","5.3139","0.0003","6.3152","0.0004","32.741","0.002","90","","90","","90","","1098.73","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Iodophenylalanine","","- C9 H12 I N O3 -","- C9 H12 I N O3 -","- C36 H48 I4 N4 O12 -","4","1","","Ramalhete, Susana; Foster, Jamie S.; Green, Hayley R.; Nartowski, Karol P.; Heinrich, Margaux; Martin, Peter; Khimyak, Yaroslav Z.; Lloyd, Gareth O.","FDHALO17: Halogen effects on the solid-state packing of phenylalanine derivatives and the resultant gelation properties","Faraday Discuss.","2017","","","","","10.1039/C7FD00108H","","","0.71073","MoKα","","0.0455","0.0451","","","0.1057","0.1059","","","","","","1.321","","","","has coordinates","196734","2020-10-21","18:00:00",""
"1546084","11.014","0.003","13.291","0.004","13.869","0.005","90","","90","","90","","2030.2","1.1","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","1","","Zhao, Jinlian; Feng, Jiamin; Tan, Zhen; Liu, Jimei; Zhao, Jianyuan; Chen, Ridao; Xie, Kebo; Zhang, Dewu; Li, Yan; Yu, Liyan; Chen, Xiaoguang; Dai, Jungui","Stachybotrysins A‒G, Phenylspirodrimane Derivatives from the Fungus Stachybotrys chartarum","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00014","","","1.54178","CuKα","","0.0837","0.0733","","","0.1881","0.2019","","","","","","1.082","","","","has coordinates","196825","2020-10-21","18:00:00",""
"1546086","5.8858","0.0004","13.567","0.001","15.5282","0.0011","90","","90","","90","","1239.97","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","","Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Oxidative Trimerization of Amino Acids: Selective Synthesis of 2,3,5-Trisubstituted Pyridines.","Organic letters","2017","19","11","2997","3000","10.1021/acs.orglett.7b01232","","","0.71073","MoKα","","0.0449","0.0348","","","0.0855","0.0923","","","","","","0.988","","","","has coordinates","197503","2020-10-21","18:00:00",""
"1546087","9.73","0.002","10.167","0.002","21.994","0.006","90","","90","","90","","2175.8","0.9","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Br N O3 S -","- C22 H24 Br N O3 S -","- C88 H96 Br4 N4 O12 S4 -","4","1","","Ueda, Hiroki; Masutomi, Koji; Shibata, Yu; Tanaka, Ken","Rhodium-Catalyzed Asymmetric [2 + 2 + 2] Cyclization of 1,6-Enynes with Aliphatic and Aromatic Alkenes.","Organic letters","2017","19","11","2913","2916","10.1021/acs.orglett.7b01149","","x-ray","0.71073","MoKα","","0.1496","0.0731","","","0.1767","0.2087","","","","","","1.018","","","","has coordinates","197505","2020-10-21","18:00:00",""
"1546107","9.3051","0.0001","12.8967","0.0001","23.172","0.0001","90","","90","","90","","2780.76","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 O5 -","- C32 H42 O5 -","- C128 H168 O20 -","4","1","","Zhang, Ya-Long; Zhou, Xu-Wei; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Yin, Yong; Luo, Jian-Guang; Kong, Ling-Yi","Xylopiana A, a Dimeric Guaiane with a Case-Shaped Core from Xylopia vielana: Structural Elucidation and Biomimetic Conversion.","Organic letters","2017","19","11","3013","3016","10.1021/acs.orglett.7b01276","","","1.54184","CuKα","","0.0334","0.0329","","","0.0952","0.0957","","","","","","1.048","","","","has coordinates","197508","2020-10-21","18:00:00",""
"1546119","11.1553","0.0019","19.49","0.004","30.332","0.006","90","","90","","90","","6595","2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C67.59 H76.99 N12 -","- C67.582 H76.972 N12 -","- C270.328 H307.888 N48 -","4","1","","Hasell, T.; Little, M. A.; Chong, S. Y.; Schmidtmann, M.; Briggs, M. E.; Santolini, V.; Jelfs, K. E.; Cooper, A. I.","Chirality as a tool for function in porous organic cages.","Nanoscale","2017","9","20","6783","6790","10.1039/c7nr01301a","","x-ray","0.6889","","","0.0948","0.0786","","","0.212","0.2297","","","","","","1.085","","","","has coordinates,has disorder","196993","2020-10-21","18:00:00",""
"1546138","9.6791","0.0014","12.7772","0.0018","28.988","0.004","90","","90","","90","","3585","0.9","123","2","123","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H27 Cl2 F10 Ir N4 O0.5 P -","- C35 H27 Cl2 F10 Ir N4 O0.5 P -","- C140 H108 Cl8 F40 Ir4 N16 O2 P4 -","4","1","","Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang","Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity","Chem. Sci.","2017","","","","","10.1039/C7SC00160F","","","0.71073","MoKα","","0.025","0.024","","","0.0662","0.0706","","","","","","1.033","","","","has coordinates,has disorder","197056","2020-10-21","18:00:00",""
"1546142","9.8604","0.0016","12.364","0.002","15.752","0.003","90","","90","","90","","1920.4","0.6","","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N4 O5 -","- C20 H30 N4 O5 -","- C80 H120 N16 O20 -","4","1","","Zheng, Yongbiao; Zhang, Jiyan; Wei, Liufeng; Shi, Mianmian; Wang, Jifeng; Huang, Jianzhong","Gunnilactams A-C, Macrocyclic Tetralactams from the Mycelial Culture of the Entomogenous Fungus Paecilomyces gunnii.","Journal of natural products","2017","80","6","1935","1938","10.1021/acs.jnatprod.7b00060","","","0.71073","MoKα","","0.0772","0.0753","","","0.2019","0.2041","","","","","","1.0153","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546143","9.4557","0.0013","12.8247","0.0017","15.429","0.002","90","","90","","90","","1871","0.4","","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N4 O5 -","- C20 H24 N4 O5 -","- C80 H96 N16 O20 -","4","1","","Zheng, Yongbiao; Zhang, Jiyan; Wei, Liufeng; Shi, Mianmian; Wang, Jifeng; Huang, Jianzhong","Gunnilactams A-C, Macrocyclic Tetralactams from the Mycelial Culture of the Entomogenous Fungus Paecilomyces gunnii.","Journal of natural products","2017","80","6","1935","1938","10.1021/acs.jnatprod.7b00060","","","0.71073","MoKα","","0.0514","0.0511","","","0.1663","0.1667","","","","","","1.5369","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546183","6.853","0.0002","9.6726","0.0003","21.2802","0.0007","90","","90","","90","","1410.59","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O5 S -","- C13 H15 Cl O5 S -","- C52 H60 Cl4 O20 S4 -","4","1","","Espina, Marta; Corte-Rodríguez, Mario; Aguado, Leticia; Montes-Bayón, María; Sierra, Marta I.; Martínez-Camblor, Pablo; Blanco-González, Elisa; Sierra, L María","Cisplatin resistance in cell models: evaluation of metallomic and biological predictive biomarkers to address early therapy failure.","Metallomics : integrated biometal science","2017","9","5","564","574","10.1039/c7mt00014f","","","0.71073","MoKα","","0.0309","0.0276","","","0.0666","0.0683","","","","","","1.051","","","","has coordinates","197143","2020-10-21","18:00:00",""
"1546192","11.1357","0.0016","12.5468","0.0019","22.93","0.003","90","","90","","90","","3203.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 -","- C19 H26 N2 -","- C152 H208 N16 -","8","2","","Wang, Nengzhong; Du, Shuo; Li, Dong; Jiang, Xuefeng","Divergent Asymmetric Total Synthesis of (+)-Vincadifformine, (-)-Quebrachamine, (+)-Aspidospermidine, (-)-Aspidospermine, (-)-Pyrifolidine, and Related Natural Products.","Organic letters","2017","19","12","3167","3170","10.1021/acs.orglett.7b01292","","","0.71073","MoKα","","0.1259","0.0769","","","0.1942","0.233","","","","","","1.042","","","","has coordinates","198429","2020-10-21","18:00:00",""
"1546199","12.237","0.0002","12.4525","0.0002","13.7714","0.0003","90","","90","","90","","2098.5","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C100 H96 N8 O12 -","4","1","","Tabata, Hidetsugu; Yoneda, Tetsuya; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Tolvaptan-Type Vasopressin Receptor Ligands: Important Role of Axial Chirality in the Active Form.","Journal of medicinal chemistry","2017","60","10","4503","4509","10.1021/acs.jmedchem.7b00422","","","1.54187","CuKα","","0.033","0.0311","","","0.0995","0.1026","","","","","","0.904","","","","has coordinates","197313","2020-10-21","18:00:00",""
"1546201","7.45094","0.00006","9.21543","0.00008","26.7264","0.0002","90","","90","","90","","1835.13","0.03","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C84 H128 N8 O4 -","4","1","","Luo, Pan; Xia, Wenjuan; Morris-Natschke, Susan L; Lee, Kuo-Hsiung; Zhao, Yu; Gu, Qiong; Xu, Jun","Vitepyrroloids A-D, 2-Cyanopyrrole-Containing Labdane Diterpenoid Alkaloids from the Leaves of Vitex trifolia.","Journal of natural products","2017","80","5","1679","1683","10.1021/acs.jnatprod.6b01195","","x-ray","1.54184","CuKα","","0.0302","0.0298","","","0.0737","0.0738","","","","","","1.05","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1546213","10.0435","0.0012","10.7709","0.0014","24.399","0.003","90","","90","","90","","2639.4","0.6","100","","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Br N2 O6 -","- C25 H29 Br N2 O6 -","- C100 H116 Br4 N8 O24 -","4","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","x-ray","0.71073","MoKα","K-L~3~","0.0896","0.0476","","","0.0825","0.093","","","","","","0.951","","","","has coordinates,has disorder","197358","2020-10-21","18:00:00",""
"1546214","9.6689","0.0005","13.7338","0.0007","17.9303","0.0011","90","","90","","90","","2381","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Br N3 O5 -","- C24 H30 Br N3 O5 -","- C96 H120 Br4 N12 O20 -","4","1","","Möller, Guido P; Müller, Steffen; Wolfstädter, Bernd T; Wolfrum, Susanne; Schepmann, Dirk; Wünsch, Bernhard; Carreira, Erick M.","Oxetanyl Amino Acids for Peptidomimetics.","Organic letters","2017","19","10","2510","2513","10.1021/acs.orglett.7b00745","","","0.71073","MoKα","","0.0229","0.0202","","","0.0457","0.0463","","","","","","1.01","","","","has coordinates","197359","2020-10-21","18:00:00",""
"1546219","10.77","0.005","15.109","0.007","17.72","0.007","90","","90","","90","","2883","2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 N O11 -","- C28 H41 N O11 -","- C112 H164 N4 O44 -","4","1","","Ma, Guo-Zhen; Li, Peng-Fei; Liu, Lu; Li, Wei-Dong Z; Chen, Li","Diastereoselective Synthesis of Cephalotaxus Esters via Asymmetric Mukaiyama Aldol Reaction.","Organic letters","2017","19","9","2250","2253","10.1021/acs.orglett.7b00743","","","0.7107","MoKα","","0.0626","0.0547","","","0.1189","0.1225","","","","","","1.133","","","","has coordinates","197364","2020-10-21","18:00:00",""
"1546220","7.784","0.0002","9.7886","0.0003","14.7958","0.0005","90","","90","","90","","1127.36","0.06","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O3 -","- C11 H19 N O3 -","- C44 H76 N4 O12 -","4","1","","Sekita, Hiroko; Adachi, Kyohei; Kobayashi, Ippei; Sato, Yusuke; Nakada, Masahisa","Enantio- and Stereoselective Construction of Atisane Scaffold via Organocatalytic Intramolecular Michael Reaction and Diels-Alder Reaction.","Organic letters","2017","19","9","2390","2393","10.1021/acs.orglett.7b00918","","","1.54187","CuKα","","0.0508","0.0477","","","0.1197","0.1262","","","","","","1.085","","","","has coordinates","197365","2020-10-21","18:00:00",""
"1546221","10.5792","0.0007","12.2534","0.0009","20.4903","0.0016","90","","90","","90","","2656.2","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Br N O2 -","- C27 H36 Br N O2 -","- C108 H144 Br4 N4 O8 -","4","1","","Roiser, Lukas; Waser, Mario","Enantioselective Spirocyclopropanation of para-Quinone Methides Using Ammonium Ylides.","Organic letters","2017","19","9","2338","2341","10.1021/acs.orglett.7b00869","","","0.71073","MoKα","","0.0465","0.0363","","","0.0904","0.0953","","","","","","1.049","","","","has coordinates","197366","2020-10-21","18:00:00",""
"1546223","10.6637","0.0014","10.7733","0.0014","18.111","0.003","90","","90","","90","","2080.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl2 O -","- C26 H20 Cl2 O -","- C104 H80 Cl8 O4 -","4","1","","Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing","Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.","Organic letters","2017","19","9","2322","2325","10.1021/acs.orglett.7b00862","","","0.71073","MoKα","","0.0497","0.0417","","","0.0998","0.1047","","","","","","1.036","","","","has coordinates","197368","2020-10-21","18:00:00",""
"1546240","6.4987","0.0003","6.9114","0.0003","41.4349","0.0019","90","","90","","90","","1861.05","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 O8 -","- C19 H25 O8 -","- C76 H100 O32 -","4","1","","Nur-E-Alam, Mohammad; Yousaf, Muhammad; Ahmed, Sarfaraz; Al-Sheddi, Ebtesam S; Parveen, Ifat; Fazakerley, David M.; Bari, Ahmed; Ghabbour, Hazem A.; Threadgill, Michael D.; Whatley, Kezia C. L.; Hoffmann, Karl F.; Al-Rehaily, Adnan J","Neoclerodane Diterpenoids from Reehal Fatima, Teucrium yemense.","Journal of natural products","2017","80","6","1900","1908","10.1021/acs.jnatprod.7b00188","","","1.54178","CuKα","","0.0427","0.0408","","","0.1091","0.1102","","","","","","1.046","","","","has coordinates","198419","2020-10-21","18:00:00",""
"1546247","25.92909","0.00016","26.18261","0.00018","26.16679","0.00016","90","","90","","90","","17764.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H144 K N2 O22 Si4 U -","- C66 H144 K N2 O22 Si4 U -","- C528 H1152 K8 N16 O176 Si32 U8 -","8","2","","Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella","Metathesis of a UV imido complex: a route to a terminal UV sulfide","Chem. Sci.","2017","","","","","10.1039/C7SC01111C","","x-ray","1.54184","CuKα","","0.0312","0.0301","","","0.0677","0.0683","","","","","","1.096","","","","has coordinates","197542","2020-10-21","18:00:00",""
"1546279","7.1051","0.0001","12.3289","0.0002","21.5929","0.0003","90","","90","","90","","1891.5","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3a","","- C28 H22 O -","- C28 H22 O -","- C112 H88 O4 -","4","1","","Ogawa, Naoki; Yamaoka, Yousuke; Yamada, Ken-Ichi; Takasu, Kiyosei","Synthesis of π-Extended Fluoranthenes via a KHMDS-Promoted Anionic-Radical Reaction Cascade.","Organic letters","2017","19","12","3327","3330","10.1021/acs.orglett.7b01538","","x-ray","1.54184","CuKα","","0.0393","0.0375","","","0.1016","0.1038","","","","","","0.977","","","","has coordinates","198432","2020-10-21","18:00:00",""
"1546301","6.1914","0.0002","19.1212","0.0005","33.9479","0.001","90","","90","","90","","4019","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl O4 -","- C23 H21 Cl O4 -","- C184 H168 Cl8 O32 -","8","2","","Ni, Huanzhen; Yu, Zhaoyuan; Yao, Weijun; Lan, Yu; Ullah, Nisar; Lu, Yixin","Catalyst-controlled regioselectivity in phosphine catalysis: synthesis of spirocyclic benzofuranones via regiodivergent [3+2] annulations of aurones and an allenoateαα","Chem. Sci.","2017","","","","","10.1039/C7SC02176C","","","1.54178","CuKα","","0.0381","0.0316","","","0.0682","0.0709","","","","","","1.035","","","","has coordinates","197753","2020-10-21","18:00:00",""
"1546302","11.0876","0.0005","13.0214","0.0006","28.1322","0.0014","90","","90","","90","","4061.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl O4 -","- C23 H21 Cl O4 -","- C184 H168 Cl8 O32 -","8","2","","Ni, Huanzhen; Yu, Zhaoyuan; Yao, Weijun; Lan, Yu; Ullah, Nisar; Lu, Yixin","Catalyst-controlled regioselectivity in phosphine catalysis: synthesis of spirocyclic benzofuranones via regiodivergent [3+2] annulations of aurones and an allenoateαα","Chem. Sci.","2017","","","","","10.1039/C7SC02176C","","","1.54178","CuKα","","0.0273","0.0264","","","0.0641","0.0646","","","","","","1.109","","","","has coordinates","197753","2020-10-21","18:00:00",""
"1546305","7.0397","0.0002","9.0581","0.0003","15.2974","0.0005","90","","90","","90","","975.46","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","Huang, Wei-Lun; Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Reduction-Nef Reaction for a One-Pot Entry to the Functionalized Aflatoxin System. Total Synthesis of (-)- Dihydroaflatoxin D2 and (-)- and (+)-Microminutinin.","Organic letters","2017","19","13","3494","3497","10.1021/acs.orglett.7b01473","","","1.54178","CuKα","","0.0311","0.0305","","","0.0823","0.0827","","","","","","1.503","","","","has coordinates","200751","2020-10-21","18:00:00",""
"1546311","5.7227","0.0018","12.3378","0.0037","33.1425","0.0107","90","","90","","90","","2340","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O2 S2 -","- C26.86 H25.895 N2 O2 S1.965 -","- C107.44 H103.58 N8 O8 S7.86 -","4","1","","Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley","Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers","Polym. Chem.","2017","","","","","10.1039/C7PY00673J","","","0.71073","MoKα","","0.0759","0.0645","","","0.1613","0.1703","","","","","","0.92","","","","has coordinates,has disorder","197801","2020-10-21","18:00:00",""
"1546318","6.08925","0.00015","10.1967","0.0002","21.7891","0.0007","90","","90","","90","","1352.89","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","","Al-Saffar, Firas M; Brown, Richard C. D.","A Two-Directional Synthesis of (+)-β-Isosparteine.","Organic letters","2017","19","13","3502","3504","10.1021/acs.orglett.7b01475","","x-ray","0.71073","MoKα","","0.0436","0.0377","","","0.0825","0.0855","","","","","","1.023","","","","has coordinates","200754","2020-10-21","18:00:00",""
"1546319","6.4385","0.0007","17.461","0.002","19.3045","0.0016","90","","90","","90","","2170.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cl N O4 S -","- C20 H28 Cl N O4 S -","- C80 H112 Cl4 N4 O16 S4 -","4","1","","Al-Saffar, Firas M; Brown, Richard C. D.","A Two-Directional Synthesis of (+)-β-Isosparteine.","Organic letters","2017","19","13","3502","3504","10.1021/acs.orglett.7b01475","","x-ray","0.71073","MoKα","","0.1958","0.1323","","","0.3192","0.3642","","","","","","1.066","","","","has coordinates","200754","2020-10-21","18:00:00",""
"1546328","8.9205","0.0007","9.2312","0.0006","24.273","0.002","90","","90","","90","","1998.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Huang, Fei; Liu, Zhuqing; Wang, Quannan; Lou, Jiang; Yu, Zhengkun","Copper-Catalyzed Formal Carbene Migratory Insertion into Internal Olefinic C═C Bonds with N-Tosylhydrazones To Access Iminofuran and 2(3H)-Furanone Derivatives.","Organic letters","2017","19","13","3660","3663","10.1021/acs.orglett.7b01668","","","0.71073","MoKα","","0.0544","0.0393","","","0.0821","0.0921","","","","","","1.076","","","","has coordinates","200752","2020-10-21","18:00:00",""
"1546339","9.318","0.0004","9.8627","0.0004","40.0507","0.0019","90","","90","","90","","3680.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 F6 N5 O6 Pd2 -","- C32 H41 F6 N5 O6 Pd2 -","- C128 H164 F24 N20 O24 Pd8 -","4","1","","Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C.","Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization","Chem. Sci.","2017","","","","","10.1039/C7SC01674C","","","0.71073","MoKα","","0.0728","0.0435","","","0.0576","0.062","","","","","","1.046","","","","has coordinates","197897","2020-10-21","18:00:00",""
"1546354","6.3432","0.0002","12.8646","0.0006","20.0976","0.0008","90","","90","","90","","1640.02","0.11","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 F3 N2 O4 S2 -","- C13 H15 F3 N2 O4 S2 -","- C52 H60 F12 N8 O16 S8 -","4","1","","Luo, Jie; Liu, Yannan; Zhao, Xiaodan","Chiral Selenide-Catalyzed Enantioselective Construction of Saturated Trifluoromethylthiolated Azaheterocycles","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01392","","","0.71073","MoKα","","0.0568","0.0488","","","0.1125","0.1172","","","","","","1.0667","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1546408","8.174","0.0012","13.0525","0.0018","19.466","0.003","90","","90","","90","","2076.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O Si -","- C22 H27 N O Si -","- C88 H108 N4 O4 Si4 -","4","1","","Xiong, Meijun; Xie, Xin; Liu, Yuanhong","Copper-Catalyzed Borylative Cyclization of in Situ Generated o-Allenylaryl Nitriles with Bis(pinacolato)diboron.","Organic letters","2017","19","13","3398","3401","10.1021/acs.orglett.7b01355","","","0.71073","MoKα","","0.06","0.0489","","","0.1124","0.1183","","","","","","1.042","","","","has coordinates","200739","2020-10-21","18:00:00",""
"1546423","5.4587","0.001","9.1326","0.0016","24.374","0.004","90","","90","","90","","1215.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C52 H52 N4 O12 S4 -","4","1","","Pan, Dong; Wei, Yin; Shi, Min","Rh(II)-Catalyzed Chemoselective Oxidative Amination and Cyclization Cascade of 1-(Arylethynyl)cycloalkyl)methyl Sulfamates.","Organic letters","2017","19","13","3584","3587","10.1021/acs.orglett.7b01558","","","0.71073","MoKα","","0.0645","0.0584","","","0.1617","0.1684","","","","","","1.049","","","","has coordinates","200745","2020-10-21","18:00:00",""
"1546426","9.3259","0.0005","19.0277","0.0011","23.1597","0.0009","90","","90","","90","","4109.7","0.4","236","12","236","12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O3 S -","- C25 H21 N O3 S -","- C200 H168 N8 O24 S8 -","8","2","","Xu, Dengyu; Zhao, Yulong; Song, Dengpeng; Zhong, Zhuliang; Feng, Shangbiao; Xie, Xingang; Wang, Xiaolei; She, Xuegong","(3 + 2)-Annulation of p-Quinamine and Aryne: A Strategy To Construct the Multisubstituted Hydrocarbazoles.","Organic letters","2017","19","13","3600","3603","10.1021/acs.orglett.7b01578","","","0.71073","MoKα","","0.1186","0.0669","","","0.0949","0.1245","","","","","","1.059","","","","has coordinates","200750","2020-10-21","18:00:00",""
"1546446","12.63216","0.0001","13.55052","0.0001","16.37821","0.0001","90","","90","","90","","2803.5","0.03","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 B N2 S3 -","- C27 H39 B N2 S3 -","- C108 H156 B4 N8 S12 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","1.54184","CuKα","","0.0258","0.0256","","","0.069","0.0693","","","","","","1.05","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546453","8.5576","0.0003","9.7069","0.0003","16.4514","0.0006","90","","90","","90","","1366.58","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 B N4 S -","- C11 H17 B N4 S -","- C44 H68 B4 N16 S4 -","4","1","","Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank","Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−","Chem. Sci.","2017","","","","","10.1039/C7SC02238G","","","0.71073","MoKα","","0.0471","0.038","","","0.0781","0.0823","","","","","","1.062","","","","has coordinates","198352","2020-10-21","18:00:00",""
"1546466","9.4224","0.0017","16.987","0.003","18.8","0.004","90","","90","","90","","3009.1","1","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 N O3 S -","- C40 H29 N O3 S -","- C160 H116 N4 O12 S4 -","4","1","","Tsujihara, Tetsuya; Zhou, Da-Yang; Suzuki, Takeyuki; Tamura, Satoru; Kawano, Tomikazu","Helically Chiral 1-Sulfur-Functionalized [6]Helicene: Synthesis, Optical Resolution, and Functionalization.","Organic letters","2017","19","12","3311","3314","10.1021/acs.orglett.7b01470","","","0.71075","MoKα","","0.0939","0.0569","","","0.1085","0.1365","","","","","","0.922","","","","has coordinates","198406","2020-10-21","18:00:00",""
"1546473","10.1261","0.0004","11.271","0.0007","19.4856","0.0011","90","","90","","90","","2223.9","0.2","254","9","254","9","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Br O3 -","- C24 H27 Br O3 -","- C96 H108 Br4 O12 -","4","1","","Zhang, Xiang-Zhi; Gan, Kang-Ji; Liu, Xiao-Xue; Deng, Yu-Hua; Wang, Fang-Xin; Yu, Ke-Yin; Zhang, Jing; Fan, Chun-An","Enantioselective Synthesis of Functionalized 4-Aryl Hydrocoumarins and 4-Aryl Hydroquinolin-2-ones via Intramolecular Vinylogous Rauhut-Currier Reaction of para-Quinone Methides.","Organic letters","2017","19","12","3207","3210","10.1021/acs.orglett.7b01331","","","0.7107","MoKα","","0.1243","0.0661","","","0.1194","0.15","","","","","","1.038","","","","has coordinates","198413","2020-10-21","18:00:00",""
"1546474","6.24343","0.00013","16.3321","0.0003","20.2668","0.0004","90","","90","","90","","2066.57","0.07","293.42","0.1","293.42","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","1","","Yang, Yu-Jie; Ji, Yuanyuan; Qi, Liangliang; Wang, Guanjun; Hui, Xin-Ping","Asymmetric Synthesis of Cyclopenta[3,4]pyrroloindolones via N-Heterocyclic Carbene-Catalyzed Michael/Aldol/Lactamization Cascade Reaction.","Organic letters","2017","19","12","3271","3274","10.1021/acs.orglett.7b01411","","x-ray","1.54184","CuKα","","0.0431","0.0378","","","0.0919","0.0961","","","","","","1.056","","","","has coordinates","198414","2020-10-21","18:00:00",""
"1546481","13.4366","0.0005","14.7631","0.0005","25.3924","0.0009","90","","90","","90","","5037","0.3","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H93 N7 O P Si3 U -","- C39 H93 N7 O P Si3 U -","- C156 H372 N28 O4 P4 Si12 U4 -","4","1","","Gardner, Benedict; King, David M.; Tuna, Floriana; Wooles, Ashley; Chilton, Nicholas F.; Liddle, Stephen","Assessing Crystal Field and Magnetic Interactions in Diuranium-μ-Chalcogenide Triamidoamine Complexes With UIV-E-UIV Cores (E = S, Se, Te): Implications for Determining the Presence or Absence of Actinide-Actinide Magnetic Exchange","Chem. Sci.","2017","","","","","10.1039/C7SC01998J","","x-ray","0.71073","MoKα","","0.0277","0.0255","","","0.0544","0.0552","","","","","","0.996","","","","has coordinates","198497","2020-10-21","18:00:00",""
"1546518","8.8605","0.0008","12.7157","0.0014","13.9809","0.0014","90","","90","","90","","1575.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 F3 N O2 -","- C18 H14 F3 N O2 -","- C72 H56 F12 N4 O8 -","4","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.0722","0.0445","","","0.0826","0.0914","","","","","","1.044","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546520","5.4622","0.0003","15.8611","0.001","19.1121","0.001","90","","90","","90","","1655.81","0.16","139","2","139","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 F3 O S -","- C21 H13 F3 O S -","- C84 H52 F12 O4 S4 -","4","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.064","0.0418","","","0.0755","0.0826","","","","","","1.051","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546521","8.8354","0.0004","12.2152","0.0005","14.1439","0.0007","90","","90","","90","","1526.5","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Br F3 N O -","- C17 H11 Br F3 N O -","- C68 H44 Br4 F12 N4 O4 -","4","1","","jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT","Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water","Chem. Sci.","2017","","","","","10.1039/C7SC02556D","","x-ray","0.71073","MoKα","","0.0409","0.0317","","","0.0566","0.059","","","","","","1.044","","","","has coordinates","198614","2020-10-21","18:00:00",""
"1546549","7.9367","0.0005","11.4018","0.0005","16.9261","0.0008","90","","90","","90","","1531.69","0.14","294.06","0.1","294.06","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Cl N2 O -","- C18 H19 Cl N2 O -","- C72 H76 Cl4 N8 O4 -","4","1","","Zeng, Jun; Zhang, Dong-Bo; Zhou, Pan-Pan; Zhang, Qi-Li; Zhao, Lei; Chen, Jian-Jun; Gao, Kun","Rauvomines A and B, Two Monoterpenoid Indole Alkaloids from Rauvolfia vomitoria.","Organic letters","2017","19","15","3998","4001","10.1021/acs.orglett.7b01723","","x-ray","0.71073","MoKα","","0.1","0.0576","","","0.0894","0.109","","","","","","1.075","","","","has coordinates","200765","2020-10-21","18:00:00",""
"1546558","6.5861","0.0014","11.262","0.003","27.326","0.006","90","","90","","90","","2026.8","0.8","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 I2 -","- C20 H26 I2 -","- C80 H104 I8 -","4","1","","Ogasawara, Masamichi; Sasa, Hirotaka; Hu, Hao; Amano, Yuta; Nakajima, Hikaru; Takenaga, Naoko; Nakajima, Kiyohiko; Kita, Yasuyuki; Takahashi, Tamotsu; Dohi, Toshifumi","Atropisomeric Chiral Diiododienes (Z,Z)-2,3-Di(1-iodoalkylidene)tetralins: Synthesis, Enantiomeric Resolution, and Application in Asymmetric Catalysis","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01876","","","0.71075","MoKα","","","0.0266","","","","0.0649","","","","","","1.027","","","","has coordinates","198863","2020-10-21","18:00:00",""
"1546562","7.69085","0.00014","7.90495","0.00014","21.4299","0.0004","90","","90","","90","","1302.85","0.04","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Otaka, Junnosuke; Hashizume, Daisuke; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Koshino, Hiroyuki; Futamura, Yushi; Osada, Hiroyuki","Hitoyol A and B, Two Norsesquiterpenoids from the Basidiomycete Coprinopsis cinerea","Organic Letters","2017","","","","","10.1021/acs.orglett.7b01784","","","1.54187","CuKα","","0.0403","0.0364","","","0.085","0.0861","","","","","","1.105","","","","has coordinates","198867","2020-10-21","18:00:00",""
"1546594","8.6843","0.0001","14.2721","0.0002","17.1469","0.0003","90","","90","","90","","2125.24","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Wang, Ya-Ni; Wang, Bao-Cheng; Zhang, Mao-Mao; Gao, Xiao-Wen; Li, Tian-Ren; Lu, Liang-Qiu; Xiao, Wen-Jing","Hydrogen Bond Direction Enables Palladium-Catalyzed Branch- and Enantioselective Allylic Aminations and Beyond.","Organic letters","2017","19","15","4094","4097","10.1021/acs.orglett.7b01794","","","1.54178","CuKα","","0.0309","0.0308","","","0.0781","0.0782","","","","","","1.084","","","","has coordinates","200762","2020-10-21","18:00:00",""
"1546595","5.8336","0.0004","8.0111","0.0006","25.951","0.0017","90","","90","","90","","1212.78","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Fang, Lizhen; Liu, Saisai; Han, Lili; Li, Huanhuan; Zhao, Fangfei","Ruthenium-Catalyzed Synthesis of <i>cis</i> -2,3-Dihydrobenzofuran-3-ols by Aqueous Transfer Hydrogenation via Dynamic Kinetic Resolution","Organometallics","2017","36","7","1217","1219","10.1021/acs.organomet.7b00022","","x-ray","1.54184","CuKα","","0.0362","0.034","","","0.0884","0.091","","","","","","1.051","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546598","10.9681","0.0006","12.3253","0.0005","12.9362","0.0005","90","","90","","90","","1748.78","0.14","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","Lang, Bo; Zhu, Huangtianzhi; Wang, Chen; Lu, Ping; Wang, Yanguang","Rhodium-Catalyzed Cycloadditions between 3-Diazoindolin-2-imines and 1,3-Dienes.","Organic letters","2017","","","","","10.1021/acs.orglett.7b00438","","","0.71073","MoKα","","0.0378","0.0306","","","0.07","0.0743","","","","","","1.056","","","","has coordinates","198987","2020-10-21","18:00:00",""
"1546607","7.631","0.0004","8.0161","0.0004","16.2346","0.0009","90","","90","","90","","993.08","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 F3 O3 -","- C10 H9 F3 O3 -","- C40 H36 F12 O12 -","4","1","","Smith, David T.; Vitaku, Edon; Njardarson, Jon T.","Dearomatization Approach to 2-Trifluoromethylated Benzofuran and Dihydrobenzofuran Products.","Organic letters","2017","19","13","3508","3511","10.1021/acs.orglett.7b01479","","","0.71073","MoKα","","0.0292","0.0284","","","0.0724","0.0744","","","","","","1.1017","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1546610","8.0355","0.0018","10.362","0.002","15.234","0.003","90","","90","","90","","1268.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O S -","- C12 H19 N O S -","- C48 H76 N4 O4 S4 -","4","1","","Yu, Hui; Gao, Bao; Hu, Bin; Huang, Hanmin","Charge-Transfer Complex Promoted C-N Bond Activation for Ni-Catalyzed Carbonylation.","Organic letters","2017","19","13","3520","3523","10.1021/acs.orglett.7b01488","","","0.71073","MoKα","","0.0415","0.0389","","","0.1034","0.1054","","","","","","1.094","","","","has coordinates","200746","2020-10-21","18:00:00",""
"1546617","6.36858","0.0001","17.0054","0.0003","17.2914","0.0003","90","","90","","90","","1872.66","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O4 S -","- C19 H20 N2 O4 S -","- C76 H80 N8 O16 S4 -","4","1","","Rajkumar, Sundaram; Clarkson, Guy J.; Shipman, Michael","Regio- and Stereocontrolled Synthesis of 3-Substituted 1,2-Diazetidines by Asymmetric Allylic Amination of Vinyl Epoxide.","Organic letters","2017","19","8","2058","2061","10.1021/acs.orglett.7b00653","","x-ray","1.54184","CuKα","","0.0351","0.033","","","0.0877","0.0896","","","","","","1.054","","","","has coordinates","199590","2020-10-21","18:00:00",""
"1546628","8.3161","0.0002","9.9302","0.0005","33.0414","0.0011","90","","90","","90","","2728.58","0.18","295","2","295","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3β,5α,25<i>R</i>)-12-(Hydroxyimino)spirostan-3-yl acetate","","- C29 H45 N O5 -","- C29 H45 N O5 -","- C116 H180 N4 O20 -","4","1","FF4016","Carrasco-Carballo, Alan; Guerrero-Luna, Gabriel; Hernández Linares, María-Guadalupe; Bernès, Sylvain","(3β,5α,25<i>R</i>)-12-(Hydroxyimino)spirostan-3-yl acetate","IUCrData","2017","2","4","x170491","","10.1107/S2414314617004916","","","0.56083","AgKα","","0.0767","0.0439","","","0.0949","0.1065","","","","","","0.924","","","","has coordinates,has Fobs","199222","2020-10-21","18:00:00",""
"1546629","7.6932","0.0008","10.1152","0.0008","20.9336","0.0017","90","","90","","90","","1629","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cystosinium tartarate monohydrate","","- C12 H18 N6 O9 -","- C12 H18 N6 O9 -","- C48 H72 N24 O36 -","4","1","BX4005","Jaikumar, P.; Sundar, T. V.; Sharmila, N.; Balakrishnan, T.; Ramamurthi, K.","Hydrogen-bonding patterns in bis(cytosinium) tartarate monohydrate","IUCrData","2017","2","3","x170448","","10.1107/S2414314617004485","","","0.71073","MoKα","","0.0452","0.036","","","0.0819","0.0867","","","","","","1.11","","","","has coordinates,has Fobs","199223","2020-10-21","18:00:00",""
"1546638","9.7437","0.0003","12.2437","0.0003","26.8215","0.001","90","","90","","90","","3199.78","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,5<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,14<i>S</i>)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1<i>H</i>-cyclopenta[<i>a]</i>phenanthrene-3,7,12-triyl triacetate","","- C33 H48 O8 -","- C33 H48 O8 -","- C132 H192 O32 -","4","1","","Kavitha, T.; Anandkumar, Devaraj; Rajakumar, Perumal; Bargavi, Srinivasan; Lakshmi, Srinivasakannan","(3<i>R</i>,5<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,14<i>S</i>)-10,13-Dimethyl-17-[5-oxo-5-(prop-2-yn-1-yloxy)pentan-2-yl]hexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-3,7,12-triyl triacetate","IUCrData","2017","2","3","x170436","","10.1107/S2414314617004369","","","0.71073","MoKα","","0.048","0.0349","","","0.0806","0.089","","","","","","0.975","","","","has coordinates,has Fobs","199232","2020-10-21","18:00:00",""
"1546681","3.8145","0.0003","12.4829","0.001","17.4438","0.0015","90","","90","","90","","830.6","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,6-Dichloro-4-nitrotoluene","1,3-Dichloro-2-methyl-5-nitrobenzene","","- C7 H5 Cl2 N O2 -","- C7 H5 Cl2 N O2 -","- C28 H20 Cl8 N4 O8 -","4","1","LH4019","Medjroubi, Mohamed Larbi; Boudjada, Ali; Hamdouni, Noudjoud; Jeannin, Olivier; Meinnel, Jean","2,6-Dichloro-4-nitrotoluene","IUCrData","2017","2","5","x170672","","10.1107/S2414314617006721","","","0.7107","MoKα","","0.0327","0.0301","","","0.0645","0.0659","","","","","","1.068","","","","has coordinates,has Fobs","199275","2020-10-21","18:00:00",""
"1546691","6.1657","0.0015","7.0875","0.0019","20.883","0.006","90","","90","","90","","912.6","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Sulfanylidene-1,3-dithiolo[4,5-<i>b</i>]pyrazine-5,6-dicarbonitrile","","- C7 N4 S3 -","- C7 N4 S3 -","- C28 N16 S12 -","4","1","WM4053","Tomura, Masaaki","2-Sulfanylidene-1,3-dithiolo[4,5-<i>b</i>]pyrazine-5,6-dicarbonitrile","IUCrData","2017","2","7","x171023","","10.1107/S2414314617010239","","","0.71073","MoKα","","0.0463","0.0406","","","0.0975","0.103","","","","","","1.114","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"1546703","4.8462","0.001","7.8042","0.0016","30.996","0.006","90","","90","","90","","1172.3","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-(2,4,6-Trimethylphenyl)butan-2-one","","- C13 H18 O -","- C13 H18 O -","- C52 H72 O4 -","4","1","","Zhang, Lang-Jing; Kou, Jun-Feng; Liu, Feng-Yi","4-(2,4,6-Trimethylphenyl)butan-2-one","IUCrData","2017","2","5","x170675","","10.1107/S2414314617006757","","","0.71073","MoKα","","0.131","0.0806","","","0.148","0.1684","","","","","","1.085","","","","has coordinates,has Fobs","199299","2020-10-21","18:00:00",""
"1546732","12.2974","0.0004","13.7295","0.0004","14.8952","0.0005","90","","90","","90","","2514.86","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-<i>N</i>-Methyl-2-[1-(4-methylcyclohex-3-en-1-yl)ethylidene]hydrazinecarbothioamide","","- C11 H19 N3 S -","- C11 H19 N3 S -","- C88 H152 N24 S8 -","8","2","SJ4102","Fawzi, Mourad; Auhmani, Aziz; Ait Itto, Moulay Youssef; Riahi, Abdelkhalek; Chevreux, Sylviane; Ketatni, El Mostafa","(2<i>E</i>)-<i>N</i>-Methyl-2-[1-(4-methylcyclohex-3-en-1-yl)ethylidene]hydrazinecarbothioamide","IUCrData","2017","2","4","x170513","","10.1107/S2414314617005132","","","1.54178","CuKα","","0.0286","0.0278","","","0.0696","0.0703","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","199328","2020-10-21","18:00:00",""
"1546735","8.3093","0.0006","10.675","0.0008","16.8309","0.0013","90","","90","","90","","1492.93","0.19","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Br F6 N2 P -","- C12 H14 Br F6 N2 P -","- C48 H56 Br4 F24 N8 P4 -","4","1","","Zhu, Haoxuan; Janusson, Eric; Luo, Jingwei; Piers, James; Islam, Farhana; McGarvey, Bryce; Oliver, Allen Grayson; Granot, Ori; McIndoe, Jason Scott","Phenol-selective mass spectrometric analysis of jet fuel","The Analyst","2017","","","","","10.1039/C7AN00908A","","","0.71073","MoKα","","0.0255","0.0221","","","0.0505","0.0516","","","","","","1.036","","","","has coordinates","199348","2020-10-21","18:00:00",""
"1546740","6.9549","0.0005","11.6778","0.0009","12.2165","0.0009","90","","90","","90","","992.2","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","BH4025","Boulhaoua, Mohammed; Essaghouani, Abdelhanine; Lahmidi, Sanae; Benchidmi, Mohammed; Essassi, El Mokhtar; Mague, Joel T.","5-Nitro-1-(prop-2-en-1-yl)-1<i>H</i>-indazole","IUCrData","2017","2","7","x171091","","10.1107/S2414314617010914","","","1.54178","CuKα","","0.0365","0.0344","","","0.0954","0.0984","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","199411","2020-10-21","18:00:00",""
"1546751","10.9864","0.0004","12.9194","0.0004","40.2053","0.0014","90","","90","","90","","5706.6","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C67 H70 B Br Fe N2 O2 P2 -","- C67 H70 B Br Fe N2 O2 P2 -","- C268 H280 B4 Br4 Fe4 N8 O8 P8 -","4","1","","Demmans, Karl Z.; Seo, Chris S. G.; Lough, Alan J.; Morris, Robert H.","From imine to amine: an unexpected left turn. Cis-β iron(ii) PNNP′ precatalysts for the asymmetric transfer hydrogenation of acetophenone","Chem. Sci.","2017","","","","","10.1039/C7SC02558K","","","1.54178","CuKα","","0.0534","0.0468","","","0.1173","0.1211","","","","","","1.065","","","","has coordinates,has disorder","199476","2020-10-21","18:00:00",""
"1546754","6.2718","0.0001","14.7186","0.0001","24.2813","0.0002","90","","90","","90","","2241.46","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O3 -","- C26 H32 N2 O3 -","- C104 H128 N8 O12 -","4","1","","Flanigan, Darrin M.; Rovis, Tomislav","Enantioselective N-heterocyclic carbene-catalyzed nucleophilic dearomatization of alkyl pyridiniums","Chem. Sci.","2017","","","","","10.1039/C7SC02648J","","x-ray","1.54184","CuKα","","0.0296","0.0288","","","0.0737","0.0743","","","","","","1.045","","","","has coordinates","199504","2020-10-21","18:00:00",""
"1546764","5.9869","0.0002","10.9322","0.0004","19.3709","0.0007","90","","90","","90","","1267.83","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 Se -","- C15 H14 O2 Se -","- C60 H56 O8 Se4 -","4","1","","Topinka, Michael; Zawatzky, Kerstin; Barnes, Charles L.; Welch, Christopher J.; Harmata, Michael","An Asymmetric, Catalytic (4 + 3) Cycloaddition Reaction of Cyclopentenyl Oxyallylic Cations.","Organic letters","2017","19","15","4106","4109","10.1021/acs.orglett.7b01868","","","0.71073","MoKα","","0.0421","0.0316","","","0.0526","0.0551","","","","","","1.116","","","","has coordinates","199565","2020-10-21","18:00:00",""
"1546765","5.5338","0.0006","16.6117","0.0017","26.533","0.003","90","","90","","90","","2439.1","0.5","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N4 O7 -","- C27 H28 N4 O7 -","- C108 H112 N16 O28 -","4","1","","Liao, Hongze; Leng, Wei-Lin; Le Mai Hoang, Kim; Yao, Hui; He, Jingxi; Voo, Amanda Ying Hui; Liu, Xue-Wei","Asymmetric syntheses of 8-oxabicyclo[3,2,1]octane and 11-oxatricyclo[5.3.1.0]undecane from glycals","Chem. Sci.","2017","","","","","10.1039/C7SC02625K","","","1.54178","CuKα","","0.052","0.0471","","","0.1278","0.1352","","","","","","1.088","","","","has coordinates","199627","2020-10-21","18:00:00",""
"1546766","5.8597","0.0006","8.435","0.0008","35.607","0.004","90","","90","","90","","1759.9","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Liao, Hongze; Leng, Wei-Lin; Le Mai Hoang, Kim; Yao, Hui; He, Jingxi; Voo, Amanda Ying Hui; Liu, Xue-Wei","Asymmetric syntheses of 8-oxabicyclo[3,2,1]octane and 11-oxatricyclo[5.3.1.0]undecane from glycals","Chem. Sci.","2017","","","","","10.1039/C7SC02625K","","","0.71073","MoKα","","0.0555","0.0467","","","0.0946","0.0978","","","","","","1.089","","","","has coordinates","199627","2020-10-21","18:00:00",""
"1546767","10.1542","0.001","26.46","0.003","26.744","0.003","90","","90","","90","","7185.6","1.3","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H52.5 Cl1.5 Co N2 O2 -","- C36.5 H52.5 Cl1.5 Co N2 O2 -","- C292 H420 Cl12 Co8 N16 O16 -","8","2","","Liu, Xu; Tian, Lei; Wu, Zhenqiang; Zhao, Xianyuan; Wang, Zikuan; Yu, Donggeng; Fu, Xuefeng","Visible-light-induced synthesis of polymers with versatile end groups mediated by organocobalt complexes","Polym. Chem.","2017","","","","","10.1039/C7PY01086A","","","0.71073","MoKα","","0.0808","0.0684","","","0.1367","0.1473","","","","","","1.079","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546782","9.3432","0.0006","10.4314","0.0008","18.0901","0.0014","90","","90","","90","","1763.1","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2<i>R</i>)-2-benzamido-2-{[(1<i>R</i>)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","SJ4129","Karai, Oumaima; Aouine, Younas; Faraj, Hassane; Alami, Anouar; El Hallaoui, Abdelilah; Zouihri, Hafid","Methyl (2<i>R</i>)-2-benzamido-2-{[(1<i>R</i>)-2-methoxy-2-oxo-1-phenylethyl]amino}acetate","IUCrData","2017","2","8","x171155","","10.1107/S2414314617011555","","","0.71073","MoKα","","0.0298","0.0268","","","0.0621","0.0645","","","","","","1.037","","","","has coordinates,has Fobs","199734","2020-10-21","18:00:00",""
"1546797","6.768729","0.000013","8.96849","0.000011","23.39031","0.00005","90","","90","","90","","1419.92","0.004","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 O -","- C9 H11 O -","- C72 H88 O8 -","8","2","","James A. Kaduk; Amy M. Gindhart; Thomas N. Blanton","Crystal Structure of 17alpha-Dihydroequilin, C18H22O2, from Synchrotron Powder Diffraction Data and Density Functional Theory","Crystals","2017","7","","218","","10.3390/cryst7070218","powder diffraction","x-ray","0.413342","","","","","","","","","0.13604","","1.49","","","","","","","has coordinates","199902","2020-10-21","18:00:00",""
"1546800","7.2478","0.0004","8.2707","0.0004","18.9058","0.001","90","","90","","90","","1133.3","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NCGC00481329a","ncats02","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","","1.54178","CuKα","","0.0229","0.0229","","","0.0597","0.0598","","","","","","1.099","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1546824","7.543","0.001","12.7445","0.0017","22.732","0.003","90","","90","","90","","2185.3","0.5","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 B Cl F4 Ir N2 O2 -","- C19 H25 B Cl F4 Ir N2 O2 -","- C76 H100 B4 Cl4 F16 Ir4 N8 O8 -","4","1","","Takahashi, Hiroyuki; Kodama, Shintaro; Ishii, Youichi","Direct transformation of 2-acetylpyridine oxime esters into α-oxygenated imines in an Ir( <scp>iii</scp> ) complex","Dalton Transactions","2017","46","36","12032","12035","10.1039/C7DT02528A","","","0.71075","MoKα","","0.0315","0.0269","","","0.0528","0.0545","","","","","","0.994","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546902","11.0882","0.0005","17.6065","0.0007","18.5479","0.0009","90","","90","","90","","3621","0.3","123","2","123","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","4,4-di-tert-butyl-1,2,2,5-tetraphenyl-3,4-dihydro-2H-1λ^4^,4,2λ^4^-azaphosphaborol-4-ium trifluoromethanesulfonate dichloromethane solvate","","- C36 H42 B Cl2 F3 N O3 P S -","- C36 H42 B Cl2 F3 N O3 P S -","- C144 H168 B4 Cl8 F12 N4 O12 P4 S4 -","4","1","","Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris","Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates","Dalton Transactions","2017","46","36","12284","12292","10.1039/C7DT02570J","","","0.71073","MoKα","","0.0591","0.0539","","","0.1299","0.135","","","","","","1.023","","","","has coordinates,has disorder","282777","2023-04-20","11:56:50",""
"1546908","8.6226","0.0012","13.6329","0.0018","22.798","0.003","90","","90","","90","","2679.9","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O -","- C15 H16 Cl N O -","- C120 H128 Cl8 N8 O8 -","8","2","","Wang, Guo-Peng; Chen, Meng-Qing; Zhu, Shou-Fei; Zhou, Qi-Lin","Enantioselective Nazarov cyclization of indole enones cooperatively catalyzed by Lewis acids and chiral Brønsted acids","Chem. Sci.","2017","","","","","10.1039/C7SC03183A","","","0.71073","MoKα","","0.0272","0.0248","","","0.0685","0.0696","","","","","","1.058","","","","has coordinates","199994","2020-10-21","18:00:00",""
"1546916","8.087","0.002","10.797","0.003","22.609","0.006","90","","90","","90","","1974.1","0.9","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O7 -","- C21 H28 O7 -","- C84 H112 O28 -","4","1","","Wang, Hengtao; Zhang, Xiunan; tang, pingping","Total Synthesis of Schilancidilactones A, B and Schilancitrilactone A, 20-epi-Schilancitrilactone A via Late-stage Nickel-catalyzed cross coupling","Chem. Sci.","2017","","","","","10.1039/C7SC03293E","","","1.54187","CuKα","","0.0331","0.0314","","","0.0828","0.0841","","","","","","1.071","","","","has coordinates","200013","2020-10-21","18:00:00",""
"1546917","7.2879","0.0003","11.3154","0.0005","13.6084","0.0005","90","","90","","90","","1122.22","0.08","135","0.1","135","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 I2 O2 -","- C8 H12 I2 O2 -","- C32 H48 I8 O8 -","4","1","","Wang, Hengtao; Zhang, Xiunan; tang, pingping","Total Synthesis of Schilancidilactones A, B and Schilancitrilactone A, 20-epi-Schilancitrilactone A via Late-stage Nickel-catalyzed cross coupling","Chem. Sci.","2017","","","","","10.1039/C7SC03293E","","x-ray","0.71073","MoKα","","0.0321","0.0305","","","0.0618","0.0634","","","","","","1.036","","","","has coordinates","200013","2020-10-21","18:00:00",""
"1546933","9.0924","0.0003","16.5218","0.0006","23.0977","0.0008","90","","90","","90","","3469.8","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 N O3 Si -","- C15 H29 N O3 Si -","- C120 H232 N8 O24 Si8 -","8","2","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.027","0.0266","","","0.0684","0.069","","","","","","1.047","","","","has coordinates,has disorder","200154","2020-10-21","18:00:00",""
"1546935","8.9713","0.0003","12.6161","0.0003","31.4987","0.0008","90","","90","","90","","3565.11","0.17","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O3 Si -","- C17 H29 N O3 Si -","- C136 H232 N8 O24 Si8 -","8","2","","Shih, Jiun-Le; Jansone-Popova, Santa; Huynh, Christopher; May, Jeremy A.","Synthesis of azasilacyclopentenes and silanols via Huisgen cycloaddition-initiated C‒H bond insertion cascades","Chem. Sci.","2017","","","","","10.1039/C7SC03130K","","","1.54178","CuKα","","0.0262","0.0258","","","0.0696","0.0701","","","","","","1.087","","","","has coordinates","200154","2020-10-21","18:00:00",""
"1546955","6.2219","0.0001","12.662","0.0001","28.7249","0.0003","90","","90","","90","","2263","0.05","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O3 -","- C24 H36 O3 -","- C96 H144 O12 -","4","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; Dong, Yang-Yang; Hu, Xiao-Long; He, Qi-Wei; Zhang, Bao-Bao; Yan, Ming; Wang, Hao","Anti-inflammatory Meroterpenoids from Baeckea frutescens.","Journal of natural products","2017","80","8","2204","2214","10.1021/acs.jnatprod.7b00042","","","1.54184","CuKα","","0.0435","0.0425","","","0.1344","0.1359","","","","","","1.077","","","","has coordinates,has disorder","200267","2020-10-21","18:00:00",""
"1546959","5.19667","0.00005","13.40708","0.00009","42.3221","0.0003","90","","90","","90","","2948.67","0.04","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O6 -","- C18 H14 O6 -","- C144 H112 O48 -","8","2","","Deyou, Tsegaye; Marco, Makungu; Heydenreich, Matthias; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul A.; Koch, Andreas; Derese, Solomon; Pelletier, Jerry; Rissanen, Kari; Yenesew, Abiy; Erdélyi, Máté","Isoflavones and Rotenoids from the Leaves of Millettia oblata ssp. teitensis.","Journal of natural products","2017","80","7","2060","2066","10.1021/acs.jnatprod.7b00255","","x-ray","1.54184","CuKα","","0.0305","0.0297","","","0.0746","0.0753","","","","","","1.061","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1546965","6.0773","0.0002","14.9171","0.0006","21.7733","0.0008","90","","90","","90","","1973.87","0.13","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Br N O4 -","- C23 H18 Br N O4 -","- C92 H72 Br4 N4 O16 -","4","1","","Kayal, Satavisha; Mukherjee, Santanu","Catalytic Enantioselective Vinylogous Allylic Alkylation of Coumarins.","Organic letters","2017","19","18","4944","4947","10.1021/acs.orglett.7b02421","","","0.71073","MoKα","","0.0171","0.0166","","","0.0429","0.0431","","","","","","1.057","","","","has coordinates","201757","2020-10-21","18:00:00",""
"1546977","6.183","0.0007","11.5573","0.0013","17.814","0.002","90","","90","","90","","1273","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O S -","- C14 H16 N2 O S -","- C56 H64 N8 O4 S4 -","4","1","","Zhou, Min; Ma, Hang-Ying; Xing, Huan-Huan; Li, Ping; Li, Gan-Peng; Geng, Hui-Chun; Hu, Qiu-Fen; Yang, Guang-Yu","Biomimetic Synthesis of Macahydantoins A and B from Lepidium meyenii, and Structure Revision of Macahydantoin B as a Class of Thiohydantoin with a 4-Methyl-hexahydropyrrolo[1,2-c]imidazole Skeleton.","Organic letters","2017","19","18","4952","4955","10.1021/acs.orglett.7b02433","","","0.71073","MoKα","","0.0832","0.0761","","","0.1882","0.1935","","","","","","1.057","","","","has coordinates","201754","2020-10-21","18:00:00",""
"1547021","7.0462","0.0003","14.9347","0.0009","16.4046","0.001","90","","90","","90","","1726.3","0.17","290.92","0.1","290.92","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Fan, Shiming; Liu, Shouxin; Zhu, Sufang; Feng, Juan; Zhang, Zhiwei; Huang, Jing","Temperature-Dependent Enantio- and Diastereodivergent Synthesis of Amino Acids with One or Multiple Chiral Centers.","Organic letters","2017","19","17","4660","4663","10.1021/acs.orglett.7b02296","","","0.71073","MoKα","","0.0955","0.0629","","","0.1279","0.1519","","","","","","1.067","","","","has coordinates","200530","2020-10-21","18:00:00",""
"1547041","7.2277","0.0003","7.3744","0.0003","21.3606","0.0008","90","","90","","90","","1138.52","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0312","0.0297","","","0.0751","0.0761","","","","","","1.05","","","","has coordinates","200550","2020-10-21","18:00:00",""
"1547042","7.2604","0.0002","8.2772","0.0002","18.9206","0.0004","90","","90","","90","","1137.05","0.05","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","","0.0249","0.0234","","","0.057","0.0577","","","","","","1.057","","","","has coordinates","200551","2020-10-21","18:00:00",""
"1547044","8.1094","0.0002","8.6923","0.0002","33.1247","0.0007","90","","90","","90","","2334.94","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C96 H112 Cl8 N8 O16 -","8","2","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","1.54178","CuKα","K-L~3~","0.0501","0.0408","","","0.0944","0.0988","","","","","","1.015","","","","has coordinates","200553","2020-10-21","18:00:00",""
"1547045","7.3777","0.0005","7.4315","0.0005","20.1273","0.0014","90","","90","","90","","1103.53","0.13","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0401","0.0345","","","0.0733","0.0753","","","","","","1.095","","","","has coordinates","200554","2020-10-21","18:00:00",""
"1547047","8.1621","0.0002","8.6928","0.0003","33.1313","0.001","90","","90","","90","","2350.72","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C96 H112 Cl8 N8 O16 -","8","2","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0324","0.0284","","","0.0625","0.0645","","","","","","1.019","","","","has coordinates","200556","2020-10-21","18:00:00",""
"1547048","7.4095","0.0007","7.4183","0.0007","20.1227","0.0018","90","","90","","90","","1106.06","0.18","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.036","0.0301","","","0.0629","0.0656","","","","","","1.06","","","","has coordinates","200557","2020-10-21","18:00:00",""
"1547049","7.2205","0.0006","7.3718","0.0005","21.3401","0.0015","90","","90","","90","","1135.89","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cl N O2 -","- C12 H14 Cl N O2 -","- C48 H56 Cl4 N4 O8 -","4","1","","Morris, Patrick J.; Moaddel, Ruin; Zanos, Panos; Moore, Curtis E.; Gould, Todd; Zarate, Jr, Carlos A; Thomas, Craig J.","Synthesis and N-Methyl-d-aspartate (NMDA) Receptor Activity of Ketamine Metabolites.","Organic letters","2017","19","17","4572","4575","10.1021/acs.orglett.7b02177","","x-ray","0.71073","MoKα","K-L~3~","0.0296","0.0265","","","0.0604","0.062","","","","","","1.066","","","","has coordinates","200558","2020-10-21","18:00:00",""
"1547051","9.5408","0.0001","16.3122","0.0001","18.8674","0.0002","90","","90","","90","","2936.36","0.05","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 O8 -","- C33 H42 O8 -","- C132 H168 O32 -","4","1","","An, Fa-Liang; Sun, Dong-Mei; Li, Rui-Jun; Zhou, Miao-Miao; Yang, Ming-Hua; Yin, Yong; Kong, Ling-Yi; Luo, Jun","Walrobsins A and B, Two Anti-inflammatory Limonoids from Root Barks of Walsura robusta.","Organic letters","2017","19","17","4568","4571","10.1021/acs.orglett.7b02173","","","1.54184","CuKα","","0.0452","0.0441","","","0.1301","0.1339","","","","","","1.051","","","","has coordinates","200560","2020-10-21","18:00:00",""
"1547052","9.434","0.0001","16.4028","0.0001","19.4128","0.0001","90","","90","","90","","3004.01","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H44 O8 -","- C33 H44 O8 -","- C132 H176 O32 -","4","1","","An, Fa-Liang; Sun, Dong-Mei; Li, Rui-Jun; Zhou, Miao-Miao; Yang, Ming-Hua; Yin, Yong; Kong, Ling-Yi; Luo, Jun","Walrobsins A and B, Two Anti-inflammatory Limonoids from Root Barks of Walsura robusta.","Organic letters","2017","19","17","4568","4571","10.1021/acs.orglett.7b02173","","","1.54184","CuKα","","0.0373","0.0369","","","0.1004","0.1009","","","","","","1.045","","","","has coordinates,has disorder","200561","2020-10-21","18:00:00",""
"1547057","6.133","0.0019","10.094","0.003","20.181","0.006","90","","90","","90","","1249.3","0.7","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Li, Yuewen; Mao, Runyu; Wu, Jie","N-Radical Initiated Aminosulfonylation of Unactivated C(sp(3))-H Bond through Insertion of Sulfur Dioxide.","Organic letters","2017","19","17","4472","4475","10.1021/acs.orglett.7b02010","","","0.71073","MoKα","","0.0453","0.0374","","","0.1071","0.1153","","","","","","1.115","","","","has coordinates","200566","2020-10-21","18:00:00",""
"1547063","9.9278","0.0008","13.8213","0.0012","19.0453","0.0015","90","","90","","90","","2613.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 N3 O4 -","- C32 H25 N3 O4 -","- C128 H100 N12 O16 -","4","1","","Mondal, Santigopal; Mukherjee, Subrata; Yetra, Santhivardhana Reddy; Gonnade, Rajesh G.; Biju, Akkattu T.","Organocatalytic Enantioselective Vinylogous Michael-Aldol Cascade for the Synthesis of Spirocyclic Compounds.","Organic letters","2017","19","16","4367","4370","10.1021/acs.orglett.7b02085","","","1.54178","CuKα","","0.0339","0.0327","","","0.0834","0.0846","","","","","","1.017","","","","has coordinates","200573","2020-10-21","18:00:00",""
"1547069","6.3428","0.0017","21.435","0.006","25.73","0.007","90","","90","","90","","3498.2","1.7","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 Cl3 N2 O8 -","- C38 H35 Cl3 N2 O8 -","- C152 H140 Cl12 N8 O32 -","4","1","","Gheewala, Chirag D.; Radtke, M. Alex; Hui, Jessica; Hon, Alec B.; Lambert, Tristan H.","Methods for the Synthesis of Functionalized Pentacarboxycyclopentadienes.","Organic letters","2017","19","16","4227","4230","10.1021/acs.orglett.7b01867","","","0.71073","MoKα","","0.1265","0.0534","","","0.0884","0.111","","","","","","1.001","","","","has coordinates","200583","2020-10-21","18:00:00",""
"1547079","5.6401","0.0007","15.5044","0.0018","23.257","0.003","90","","90","","90","","2033.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AEW-II-133","","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Li, Kangnan; Weber, Alexandria E.; Tseng, Luke; Malcolmson, Steven J.","Diastereoselective and Enantiospecific Synthesis of 1,3-Diamines via 2-Azaallyl Anion Benzylic Ring-Opening of Aziridines.","Organic letters","2017","19","16","4239","4242","10.1021/acs.orglett.7b01886","","","0.71073","MoKα","","0.0455","0.0381","","","0.0945","0.0988","","","","","","1.044","","","","has coordinates","200597","2020-10-21","18:00:00",""
"1547092","6.5332","0.0016","8.086","0.002","44.285","0.011","90","","90","","90","","2339.5","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Br O7 -","- C25 H25 Br O7 -","- C100 H100 Br4 O28 -","4","1","","Gao, Ya-Ru; Wang, Da-Yu; Wang, Yong-Qiang","Asymmetric Syntheses of Amaryllidaceae Alkaloids (-)-Crinane and (+)-4a-Dehydroxycrinamabine.","Organic letters","2017","19","13","3516","3519","10.1021/acs.orglett.7b01486","","","0.71073","MoKα","","0.1343","0.0615","","","0.1176","0.1413","","","","","","1.004","","","","has coordinates","200610","2020-10-21","18:00:00",""
"1547101","6.1106","0.0004","9.3146","0.0006","18.416","0.0011","90","","90","","90","","1048.2","0.11","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl O3 -","- C11 H11 Cl O3 -","- C44 H44 Cl4 O12 -","4","1","","Huang, Wei-Lun; Raja, Arun; Hong, Bor-Cherng; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Reduction-Nef Reaction for a One-Pot Entry to the Functionalized Aflatoxin System. Total Synthesis of (-)- Dihydroaflatoxin D2 and (-)- and (+)-Microminutinin.","Organic letters","2017","19","13","3494","3497","10.1021/acs.orglett.7b01473","","","1.54178","CuKα","","0.0413","0.04","","","0.1118","0.113","","","","","","1.301","","","","has coordinates","200620","2020-10-21","18:00:00",""
"1547102","9.8874","0.001","11.4556","0.0012","37.795","0.004","90","","90","","90","","4280.9","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 B I N O5 -","- C19 H27 B I N O5 -","- C152 H216 B8 I8 N8 O40 -","8","2","","Chen, Lili; Zou, Xiaoliang; Zhao, Haonan; Xu, Senmiao","Copper-Catalyzed Asymmetric Protoboration of β-Amidoacrylonitriles and β-Amidoacrylate Esters: An Efficient Approach to Functionalized Chiral α-Amino Boronate Esters.","Organic letters","2017","19","13","3676","3679","10.1021/acs.orglett.7b01740","","","0.71073","MoKα","","0.0447","0.0428","","","0.1063","0.1076","","","","","","1.038","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547105","9.3681","0.0003","9.682","0.0003","23.6969","0.0007","90","","90","","90","","2149.35","0.11","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O2 S -","- C24 H26 N2 O2 S -","- C96 H104 N8 O8 S4 -","4","1","","Tian, Hua; Zhang, Pengxiang; Peng, Fei; Yang, Haijun; Fu, Hua","Chiral Cyclic Ligand-Enabled Iridium-Catalyzed Asymmetric Arylation of Unactivated Racemic Allylic Alcohols with Anilines.","Organic letters","2017","19","14","3775","3778","10.1021/acs.orglett.7b01631","","","1.54178","CuKα","","0.0326","0.0303","","","0.0785","0.0797","","","","","","1.066","","","","has coordinates","200624","2020-10-21","18:00:00",""
"1547115","8.2009","0.0004","17.7433","0.0007","18.2546","0.0007","90","","90","","90","","2656.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 O7 -","- C30 H36 O7 -","- C120 H144 O28 -","4","1","","Wang, Li; Yang, Jing; Kong, Ling-Mei; Deng, Jun; Xiong, Zijun; Huang, Jianping; Luo, Jianying; Yan, Yijun; Hu, Yikao; Li, Xiao-Nian; Li, Yan; Zhao, Yong; Huang, Sheng-Xiong","Natural and Semisynthetic Tigliane Diterpenoids with New Carbon Skeletons from Euphorbia dracunculoides as a Wnt Signaling Pathway Inhibitor.","Organic letters","2017","19","14","3911","3914","10.1021/acs.orglett.7b01813","","","1.54178","CuKα","","0.165","0.1305","","","0.3415","0.388","","","","","","1.426","","","","has coordinates","200633","2020-10-21","18:00:00",""
"1547152","7.4937","0.0002","9.0345","0.0002","21.4487","0.0005","90","","90","","90","","1452.12","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O2 -","- C17 H24 O2 -","- C68 H96 O8 -","4","1","","John A. Enquist Jr; Brian M. Stoltz","The total synthesis of (-)-cyanthiwigin F by means of double catalytic enantioselective alkylation","Nature","2008","453","","1228","1231","10.1038/nature07046","","","1.54178","CuKα","","0.0391","0.0335","","","0.0669","0.0686","","","","","","1.394","","","","has coordinates","200832","2020-10-21","18:00:00",""
"1547163","7.6528","0.0002","12.1548","0.0002","21.7284","0.0005","90","","90","","90","","2021.14","0.08","297.5","0.6","297.5","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 I N2 O3 -","- C21 H17 I N2 O3 -","- C84 H68 I4 N8 O12 -","4","1","","Liang, Lei; Xie, Ming-Sheng; Qin, Tao; Zhu, Man; Qu, Gui-Rong; Guo, Hai-Ming","Regio- and Enantioselective Synthesis of Chiral Pyrimidine Acyclic Nucleosides via Rhodium-Catalyzed Asymmetric Allylation of Pyrimidines.","Organic letters","2017","19","19","5212","5215","10.1021/acs.orglett.7b02482","","x-ray","1.54184","CuKα","","0.038","0.034","","","0.0822","0.0843","","","","","","1.091","","","","has coordinates","202783","2020-10-21","18:00:00",""
"1547169","7.4989","0.0002","11.9755","0.0003","20.6566","0.0006","90","","90","","90","","1855.03","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Kazak, Mihail; Priede, Martins; Shubin, Kirill; Bartrum, Hannah E.; Poisson, Jean-François; Suna, Edgars","Stereodivergent Synthesis of Pseudotabersonine Alkaloids.","Organic letters","2017","19","19","5356","5359","10.1021/acs.orglett.7b02635","","","0.71073","MoKα","","0.0974","0.0606","","","0.1079","0.123","","","","","","1.04","","","","has coordinates","202796","2020-10-21","18:00:00",""
"1547177","8.3966","0.0002","10.4923","0.0003","16.3473","0.0004","90","","90","","90","","1440.19","0.06","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl N2 O2 -","- C17 H13 Cl N2 O2 -","- C68 H52 Cl4 N8 O8 -","4","1","","Meninno, Sara; Roselli, Angelo; Capobianco, Amedeo; Overgaard, Jacob; Lattanzi, Alessandra","Diastereodivergent and Enantioselective Access to Spiroepoxides via Organocatalytic Epoxidation of Unsaturated Pyrazolones.","Organic letters","2017","19","19","5030","5033","10.1021/acs.orglett.7b02189","","x-ray","0.71073","MoKα","","0.0401","0.0322","","","0.0694","0.074","","","","","","1.045","","","","has coordinates","202773","2020-10-21","18:00:00",""
"1547202","7.715","0.004","13.604","0.007","36.769","0.016","90","","90","","90","","3859","3","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C168 H256 O24 -","8","2","","Naik Tameen Khan; Marium Bibi; Sammer Yousuf; Izhar Husain Qureshi; Atta-ur-Rahman; Abdullah Mohammad Al-Majid; Muhammad Ahmed Mesaik; Ahmed Shukralla Khalid; Samina A Sattar; Atia-tul-Wahab; M Iqbal Choudhary","Synthesis of some potent immunomodulatory and anti-inflammatory metabolites by fungal transformation of anabolic steroid oxymetholone","Chemistry Central Journal","2012","6","","153","","10.1186/1752-153X-6-153","","","0.71073","MoKα","","0.121","0.061","","","0.1293","0.1691","","","","","","1.033","","","","has coordinates","200967","2020-10-21","18:00:00",""
"1547215","10.2944","0.0001","13.6664","0.0002","19.4983","0.0002","90","","90","","90","","2743.16","0.06","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N O2 P S2 -","- C24 H46 N O2 P S2 -","- C96 H184 N4 O8 P4 S8 -","4","1","","Samet Solak; Cemal Aydemir; Mehmet Karakus; Peter Lonnecke","Novel Gold(I) and Silver(I) Complexes of Phosphorus-1,1,-dithiolates and Molecular Structure of [O,O'-(Bornyl)2PS2]H3NC(CH3)3","Chemistry Central Journal","2013","7","","89","","10.1186/1752-153X-7-89","","","0.71073","MoKα","","0.0403","0.0348","","","0.0909","0.0925","","","","","","0.997","","","","has coordinates","200980","2020-10-21","18:00:00",""
"1547246","10.925","0.0007","14.72","0.0012","27.104","0.0014","90","","90","","90","","4358.8","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H76 N2 O4 Ti -","- C45 H76 N2 O4 Ti -","- C180 H304 N8 O16 Ti4 -","4","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.0918","0.0607","","","0.1452","0.1651","","","","","","1.039","","","","has coordinates,has disorder","201065","2020-10-21","18:00:00",""
"1547255","8.106","0.0001","10.241","0.0003","12.952","0.0004","90","","90","","90","","1075.19","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","","Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E.","A Cobalt Complex of a Microbial Arene Oxidation Product","Chemistry Central Journal","2011","5","","80","","10.1186/1752-153X-5-80","","","0.71073","MoKα","","0.0419","0.0322","","","0.0712","0.0754","","","","","","1.031","","","","has coordinates","201074","2020-10-21","18:00:00",""
"1547256","7.305","0.0001","8.665","0.0001","23.568","0.0003","90","","90","","90","","1491.8","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Co O4 -","- C16 H19 Co O4 -","- C64 H76 Co4 O16 -","4","1","","Van der Waals, Dominic; Pugh, Thomas; Ali Kahn, Monica; Stewart, Alan J. W.; Johnson, Andrew L.; Lewis, Simon E.","A Cobalt Complex of a Microbial Arene Oxidation Product","Chemistry Central Journal","2011","5","","80","","10.1186/1752-153X-5-80","","","0.71073","mokα","","0.0291","0.0274","","","0.062","0.0625","","","","","","1.231","","","","has coordinates","201075","2020-10-21","18:00:00",""
"1547267","8.3512","0.0009","12.56","0.0013","15.3638","0.0016","90","","90","","90","","1611.5","0.3","180.01","0.1","180.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Peng Lei; Xuebo Zhang; Yan Xu; Gaofei Xu; Xili Liu; Xinling Yang; Xiaohe Zhang; Yun Ling","Synthesis and fungicidal activity of pyrazole derivatives containing 1,2,3,4-tetrahydroquinoline","Chemistry Central Journal","2016","10","","40","","10.1186/s13065-016-0186-8","","","0.7107","MoKα","","0.046","0.0369","","","0.0809","0.0852","","","","","","1.033","","","","has coordinates","201099","2020-10-21","18:00:00",""
"1547357","7.8958","0.0004","16.9193","0.0006","18.2874","0.0008","90","","90","","90","","2443.04","0.19","290.84","0.1","290.84","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N2 O5 S2 -","- C25 H25 N2 O5 S2 -","- C100 H100 N8 O20 S8 -","4","1","","Zhu, Shi-Ya; Zhang, Yuanzhen; Wang, Wei; Hui, Xin-Ping","Stereoselective Synthesis of Functionalized Tetrahydro-1H-1,2-diazepines by N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation.","Organic letters","2017","19","19","5380","5383","10.1021/acs.orglett.7b02657","","","0.7107","MoKα","","0.0819","0.0565","","","0.1168","0.1347","","","","","","1.022","","","","has coordinates","202772","2020-10-21","18:00:00",""
"1547362","5.272","0.0005","14.4113","0.0014","33.766","0.003","90","","90","","90","","2565.4","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 I3 N2 O5 -","- C24 H21 I3 N2 O5 -","- C96 H84 I12 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.","Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.","Organic letters","2017","19","19","5066","5069","10.1021/acs.orglett.7b02275","","x-ray","1.34139","GaKα","","0.0779","0.0747","","","0.1961","0.1984","","","","","","1.126","","","","has coordinates","202814","2020-10-21","18:00:00",""
"1547383","9.0107","0.0006","22.8169","0.0016","25.9541","0.0017","90","","90","","90","","5336.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H61 Au Cl4 O3 P -","- C57 H61 Au Cl4 O3 P -","- C228 H244 Au4 Cl16 O12 P4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0834","0.0511","","","0.1045","0.1164","","","","","","1.02","","","","has coordinates","201356","2020-10-21","18:00:00",""
"1547384","9.7873","0.0003","12.8393","0.0004","39.6173","0.0013","90","","90","","90","","4978.4","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H45 Au Cl O3 P Si2 -","- C62 H45 Au Cl O3 P Si2 -","- C248 H180 Au4 Cl4 O12 P4 Si8 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0389","0.036","","","0.0841","0.085","","","","","","1.118","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547387","9.6442","0.0011","15.8547","0.0015","17.74","0.002","90","","90","","90","","2712.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Fe O S -","- C32 H38 Fe O S -","- C128 H152 Fe4 O4 S4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0532","0.0439","","","0.1062","0.1108","","","","","","1.035","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547389","11.6873","0.0011","13.7576","0.0019","34.499","0.004","90","","90","","90","","5547.1","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H47 O4 P Si2 -","- C63 H47 O4 P Si2 -","- C252 H188 O16 P4 Si8 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","1.54178","CuKα","","0.0678","0.0597","","","0.1597","0.1652","","","","","","1.269","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"1547392","25.657","0.0017","6.1824","0.0004","12.8915","0.0007","90","","90","","90","","2044.9","0.2","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O7 -","- C21 H32 O7 -","- C84 H128 O28 -","4","1","","Zhou, Junfei; Sun, Na; Zhang, Hanqi; Zheng, Guijuan; Liu, Junjun; Yao, Guangmin","Rhodomollacetals A-C, PTP1B Inhibitory Diterpenoids with a 2,3:5,6-Di-seco-grayanane Skeleton from the Leaves of Rhododendron molle.","Organic letters","2017","19","19","5352","5355","10.1021/acs.orglett.7b02633","","","1.54178","CuKα","","0.0876","0.0847","","","0.2608","0.2636","","","","","","1.045","","","","has coordinates","202774","2020-10-21","18:00:00",""
"1547394","10.1934","0.0009","11.1437","0.001","19.3947","0.0018","90","","90","","90","","2203.1","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 F N2 O3 -","- C23 H27 F N2 O3 -","- C92 H108 F4 N8 O12 -","4","1","","Paladhi, Sushovan; Park, Sang Yeon; Yang, Jung Woon; Song, Choong Eui","Asymmetric Synthesis of α-Fluoro-β-Amino-oxindoles with Tetrasubstituted C-F Stereogenic Centers via Cooperative Cation-Binding Catalysis.","Organic letters","2017","19","19","5336","5339","10.1021/acs.orglett.7b02628","","","0.71073","MoKα","","0.0985","0.0503","","","0.0925","0.1106","","","","","","1.072","","","","has coordinates","202777","2020-10-21","18:00:00",""
"1547398","6.8529","0.0003","11.4799","0.0004","26.6681","0.0009","90","","90","","90","","2098","0.14","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B O2 -","- C23 H29 B O2 -","- C92 H116 B4 O8 -","4","1","","Chen, Chenhui; Shen, Xuzhong; Chen, Jianhui; Hong, Xin; Lu, Zhan","Iron-Catalyzed Hydroboration of Vinylcyclopropanes.","Organic letters","2017","19","19","5422","5425","10.1021/acs.orglett.7b02691","","","1.54184","CuKα","","0.0665","0.0572","","","0.1578","0.1687","","","","","","1.074","","","","has coordinates,has disorder","202795","2020-10-21","18:00:00",""
"1547454","9.60806","0.00017","11.4151","0.0002","20.1805","0.0014","90","","90","","90","","2213.34","0.16","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O7 S -","- C25 H23 N O7 S -","- C100 H92 N4 O28 S4 -","4","1","","Takizawa, Shinobu; Sako, Makoto; Abozeid, Mohamed Ahmed; Kishi, Kenta; Wathsala, H. D. P.; Hirata, Shuichi; Murai, Kenichi; Fujioka, Hiromichi; Sasai, Hiroaki","Enantio- and Diastereoselective Betti/aza-Michael Sequence: Single Operated Preparation of Chiral 1,3-Disubstituted Isoindolines.","Organic letters","2017","19","19","5426","5429","10.1021/acs.orglett.7b02693","","","1.54187","CuKα","","0.0275","0.027","","","0.0695","0.0698","","","","","","1.076","","","","has coordinates","202782","2020-10-21","18:00:00",""
"1547479","7.3454","0.0003","10.9165","0.0005","22.3527","0.0009","90","","90","","90","","1792.37","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","","Shibuya, Grant M.; Enquist, John A., Jr.; Stoltz, Brian M.","Enantioselective Synthesis of the 5-6-7 Carbocyclic Core of the Gagunin Diterpenoids","Organic Letters","2013","15","","3480","3483","10.1021/ol401514s","","","0.71073","MoKα","","0.0551","0.0424","","","0.0761","0.0771","","","","","","2.224","","","","has coordinates,has disorder","201509","2020-10-21","18:00:00",""
"1547480","7.1115","0.0003","8.2413","0.0004","26.074","0.0011","90","","90","","90","","1528.15","0.12","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Shibuya, Grant M.; Enquist, John A., Jr.; Stoltz, Brian M.","Enantioselective Synthesis of the 5-6-7 Carbocyclic Core of the Gagunin Diterpenoids","Organic Letters","2013","15","","3480","3483","10.1021/ol401514s","","","0.71073","MoKα","","0.0605","0.0487","","","0.0732","0.0743","","","","","","2.066","","","","has coordinates","201510","2020-10-21","18:00:00",""
"1547497","6.9835","0.0018","13.171","0.003","14.818","0.003","90","","90","","90","","1363","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Jang, Hyun-Jae; Lee, Soyoung; Lee, Seung-Jae; Lim, Hyung-Jin; Jung, Kyungsook; Kim, Young Ho; Lee, Seung Woong; Rho, Mun-Chual","Anti-inflammatory Activity of Eudesmane-Type Sesquiterpenoids from Salvia plebeia.","Journal of natural products","2017","80","10","2666","2676","10.1021/acs.jnatprod.7b00326","","","0.71073","MoKα","","0.1067","0.0529","","","0.1012","0.12","","","","","","0.998","","","","has coordinates","202669","2020-10-21","18:00:00",""
"1547498","9.7788","0.0002","9.8113","0.0002","13.9226","0.0003","90","","90","","90","","1335.77","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Jang, Hyun-Jae; Lee, Soyoung; Lee, Seung-Jae; Lim, Hyung-Jin; Jung, Kyungsook; Kim, Young Ho; Lee, Seung Woong; Rho, Mun-Chual","Anti-inflammatory Activity of Eudesmane-Type Sesquiterpenoids from Salvia plebeia.","Journal of natural products","2017","80","10","2666","2676","10.1021/acs.jnatprod.7b00326","","","0.71073","MoKα","","0.0757","0.0466","","","0.0897","0.1009","","","","","","1.033","","","","has coordinates","202669","2020-10-21","18:00:00",""
"1547500","5.5753","0.0019","8.462","0.003","36.235","0.012","90","","90","","90","","1709.5","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl N Pd Se -","- C19 H16 Cl N Pd Se -","- C76 H64 Cl4 N4 Pd4 Se4 -","4","1","","Bhaskar, Renu; Sharma, Alpesh K.; Yadav, Manoj K.; Singh, Ajai K.","Sonogashira (Cu and amine free) and Suzuki coupling in air catalyzed <i>via</i> nanoparticles formed <i>in situ</i> from Pd( <scp>ii</scp> ) complexes of chalcogenated Schiff bases of 1-naphthaldehyde and their reduced forms","Dalton Transactions","2017","46","44","15235","15248","10.1039/C7DT02701J","","","0.71073","MoKα","","0.041","0.0393","","","0.0937","0.0946","","","","","","1.146","","","","has coordinates","282777","2023-04-20","11:56:50",""
"1547522","10.021","0.0001","13.4995","0.0002","26.1852","0.0004","90","","90","","90","","3542.29","0.08","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C168 H224 O24 -","8","2","","Wang, Jie; Mu, Feng-Rong; Jiao, Wei-Hua; Huang, Jian; Hong, Li-Li; Yang, Fan; Xu, Ying; Wang, Shu-Ping; Sun, Fan; Lin, Hou-Wen","Meroterpenoids with Protein Tyrosine Phosphatase 1B Inhibitory Activity from a Hyrtios sp. Marine Sponge.","Journal of natural products","2017","80","9","2509","2514","10.1021/acs.jnatprod.7b00435","","","1.54178","CuKα","","0.0374","0.0349","","","0.085","0.0864","","","","","","1.065","","","","has coordinates","201653","2020-10-21","18:00:00",""
"1547550","8.6067","0.0001","19.0255","0.0002","28.0976","0.0002","90","","90","","90","","4600.89","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H65 F N6 O10 -","- C43 H65 F N6 O10 -","- C172 H260 F4 N24 O40 -","4","1","","Zhong, Zhihong; Du, Chong; Luo, Zhonghua; Song, Shuaihua; Liao, Gaohong; Yao, Jia; Goldmann, Siegfried; Wang, Zhongqing","Identification, Characterization, Synthesis, and Strategy for Minimization of Potential Impurities Observed in the Synthesis of Solithromycin","Organic Process Research & Development","2017","21","9","1371","","10.1021/acs.oprd.7b00201","","","1.54178","CuKα","","0.0397","0.0342","","","0.0827","0.0862","","","","","","1.051","","","","has coordinates","201700","2020-10-21","18:00:00",""
"1547551","7.5278","0.0006","12.6117","0.0008","13.7183","0.001","90","","90","","90","","1302.39","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O S -","- C16 H12 O S -","- C64 H48 O4 S4 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal","DIPEA-Promoted Reaction of 2-Nitrochalcones with Elemental Sulfur: An Unusual Approach to 2-Benzoylbenzothiophenes.","Organic letters","2017","19","18","4858","4860","10.1021/acs.orglett.7b02321","","","1.54187","CuKα","","0.0696","0.0544","","","0.1299","0.1469","","","","","","1.086","","","","has coordinates","201702","2020-10-21","18:00:00",""
"1547561","8.1779","0.0002","8.8079","0.0002","15.2085","0.0003","90","","90","","90","","1095.47","0.04","122.99","0.1","122.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Q075","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","1","","Lehner, Verena; Davies, Huw M. L.; Reiser, Oliver","Rh(II)-Catalyzed Cyclopropanation of Furans and Its Application to the Total Synthesis of Natural Product Derivatives.","Organic letters","2017","19","18","4722","4725","10.1021/acs.orglett.7b02009","","x-ray","1.54184","CuKα","","0.0258","0.024","","","0.06","0.0611","","","","","","1.078","","","","has coordinates","201712","2020-10-21","18:00:00",""
"1547572","7.4193","0.001","12.1143","0.0013","17.167","0.002","90","","90","","90","","1543","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 Br O -","- C17 H23 Br O -","- C68 H92 Br4 O4 -","4","1","","Grayfer, Tatyana D.; Retailleau, Pascal; Dodd, Robert H.; Dubois, Joëlle; Cariou, Kevin","Chemodivergent, Tunable, and Selective Iodine(III)-Mediated Bromo-Functionalizations of Polyprenoids.","Organic letters","2017","19","18","4766","4769","10.1021/acs.orglett.7b02125","","x-ray","0.71073","MoKα","","0.1005","0.0469","","","0.0795","0.0918","","","","","","1.007","","","","has coordinates","201723","2020-10-21","18:00:00",""
"1547580","5.0624","0.0007","10.961","0.003","26.361","0.004","90","","90","","90","","1462.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 F N O3 -","- C15 H20 F N O3 -","- C60 H80 F4 N4 O12 -","4","1","","Zhang, Wandi; Chen, Weijie; Xiao, Hongde; Krische, Michael J.","Carbonyl anti-(α-Amino)allylation via Ruthenium Catalyzed Hydrogen Autotransfer: Use of an Acetylenic Pyrrole as an Allylmetal Pronucleophile.","Organic letters","2017","19","18","4876","4879","10.1021/acs.orglett.7b02336","","","1.54184","CuKα","","0.1075","0.0859","","","0.206","0.2259","","","","","","1.115","","","","has coordinates","201731","2020-10-21","18:00:00",""
"1547581","13.308","0.008","15.883","0.01","19.472","0.013","90","","90","","90","","4116","5","109","","109","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H42 Cl2 N4 Pd -","- C51 H42 Cl2 N4 Pd -","- C204 H168 Cl8 N16 Pd4 -","4","1","","Nozawa, Ryo; Shinokubo, Hiroshi","Synthesis and Properties of meso-Arylated Corrphycenes.","Organic letters","2017","19","18","4928","4931","10.1021/acs.orglett.7b02390","","","0.71073","MoKα","","0.0351","0.0316","","","0.101","0.1052","","","","","","0.913","","","","has coordinates","201732","2020-10-21","18:00:00",""
"1547583","6.1299","0.0002","13.8742","0.0004","15.703","0.0004","90","","90","","90","","1335.5","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Zhao, Jie; Zhao, Xiao-Jing; Cao, Pei; Liu, Ji-Kai; Wu, Bin","Polycyclic Azetidines and Pyrrolidines via Palladium-Catalyzed Intramolecular Amination of Unactivated C(sp3)-H Bonds.","Organic letters","2017","19","18","4880","4883","10.1021/acs.orglett.7b02339","","","1.54178","CuKα","","0.0489","0.0485","","","0.1667","0.1679","","","","","","1.1","","","","has coordinates","201734","2020-10-21","18:00:00",""
"1547589","5.9123","0.0002","16.6068","0.0008","23.602","0.0008","90","","90","","90","","2317.35","0.16","291.17","0.1","291.17","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N3 O3 -","- C26 H21 Cl N3 O3 -","- C104 H84 Cl4 N12 O12 -","4","1","","Wang, Jie; Wang, Pengxin; Wang, Linqing; Li, Dan; Wang, Kezhou; Wang, Yuan; Zhu, Haiyong; Yang, Dongxu; Wang, Rui","Nickel-Mediated Asymmetric Allylic Alkylation between Nitroallylic Acetates and Acyl Imidazoles.","Organic letters","2017","19","18","4826","4829","10.1021/acs.orglett.7b02264","","x-ray","0.71073","MoKα","","0.083","0.0577","","","0.1117","0.1287","","","","","","1.054","","","","has coordinates","201740","2020-10-21","18:00:00",""
"1547592","12.8077","0.001","17.5384","0.0013","19.331","0.0014","90","","90","","90","","4342.3","0.6","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H59 N3 O2 Si2 Zn -","- C47 H59 N3 O2 Si2 Zn -","- C188 H236 N12 O8 Si8 Zn4 -","4","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.0907","0.0789","","","0.184","0.1952","","","","","","1.033","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547593","11.2307","0.001","16.3927","0.0015","23.767","0.002","90","","90","","90","","4375.5","0.7","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H59 N3 O2 Si2 Zn -","- C48 H59 N3 O2 Si2 Zn -","- C192 H236 N12 O8 Si8 Zn4 -","4","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.0632","0.0461","","","0.1051","0.1138","","","","","","1.001","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547595","11.216","0.002","16.373","0.003","23.726","0.004","90","","90","","90","","4357","1.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H59 N3 O2 Si2 Zn -","- C48 H59 N3 O2 Si2 Zn -","- C192 H236 N12 O8 Si8 Zn4 -","4","1","","Kan, Chao; Hu, Jianwen; Huang, Yang; Wang, Haobing; Ma, Haiyan","Highly Isoselective and Active Zinc Catalysts for rac-Lactide Polymerization: Effect of Pendant Groups of Aminophenolate Ligands","Macromolecules","2017","50","20","7911","","10.1021/acs.macromol.7b01420","","","0.71073","MoKα","","0.1061","0.0513","","","0.0896","0.1039","","","","","","0.948","","","","has coordinates","203996","2020-10-21","18:00:00",""
"1547607","6.04476","0.00008","13.4804","0.00017","26.4744","0.0003","90","","90","","90","","2157.29","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N3 O -","- C25 H35 N3 O -","- C100 H140 N12 O4 -","4","1","","Zhang, Shasha; Li, Dangdang; Song, Zehua; Zang, Chuanli; Zhang, Lu; Song, Xiushi; Li, Shengkun","""Carbon Assimilation"" Inspired Design and Divergent Synthesis of Drimane Meroterpenoid Mimics as Novel Fungicidal Leads.","Journal of agricultural and food chemistry","2017","65","41","9013","9021","10.1021/acs.jafc.7b03126","","x-ray","1.54184","CuKα","","0.0387","0.0378","","","0.0957","0.0969","","","","","","1.045","","","","has coordinates","202666","2020-10-21","18:00:00",""
"1547612","5.8811","0.0002","13.6299","0.0004","18.7137","0.0006","90","","90","","90","","1500.07","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0295","0.0278","","","0.0698","0.0711","","","","","","1.073","","","","has coordinates","202821","2020-10-21","18:00:00",""
"1547613","8.6567","0.0002","13.8347","0.0004","25.4021","0.0006","90","","90","","90","","3042.23","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C144 H120 Br8 O16 -","8","2","","He, Rui; Liu, Penglin; Huo, Xiaohong; Zhang, Wanbin","Ir/Zn Dual Catalysis: Enantioselective and Diastereodivergent α-Allylation of Unprotected α-Hydroxy Indanones.","Organic letters","2017","19","20","5513","5516","10.1021/acs.orglett.7b02577","","","1.54178","CuKα","","0.0601","0.0375","","","0.0674","0.0747","","","","","","0.98","","","","has coordinates","202821","2020-10-21","18:00:00",""
"1547639","7.426","0.0017","11.292","0.003","20.718","0.005","90","","90","","90","","1737.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O4 S -","- C17 H18 N2 O4 S -","- C68 H72 N8 O16 S4 -","4","1","","Qian, Xue-Wei; Xue, Ze-Jian; Zhao, Qian; Cui, Zhe; Chen, Ya-Jing; Feng, Chen-Guo; Lin, Guo-Qiang","Enantioselective Rhodium-Catalyzed Alkenylation of Aliphatic Imines.","Organic letters","2017","19","20","5601","5604","10.1021/acs.orglett.7b02737","","","0.71073","MoKα","","0.0462","0.0408","","","0.0981","0.1013","","","","","","1.011","","","","has coordinates","202822","2020-10-21","18:00:00",""
"1547672","10.4889","0.0017","15.637","0.002","17.361","0.003","90","","90","","90","","2847.5","0.8","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C136 H104 Br8 O24 -","8","2","","Paz, Bruno Matos; Li, Yang; Thøgersen, Mathias Kirk; Jørgensen, Karl Anker","Enantioselective synthesis of cyclopenta[b]benzofurans via an organocatalytic intramolecular double cyclization","Chem. Sci.","2017","","","","","10.1039/C7SC03006A","","","0.56086","AgKα","","0.0221","0.0209","","","0.0524","0.0528","","","","","","1.043","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1547696","7.854","0.004","11.693","0.005","18.074","0.008","90","","90","","90","","1659.9","1.3","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 I N2 O4 -","- C18 H13 I N2 O4 -","- C72 H52 I4 N8 O16 -","4","1","","Toda, Yasunori; Gomyou, Shuto; Tanaka, Shoya; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki","Tetraarylphosphonium Salt-Catalyzed Synthesis of Oxazolidinones from Isocyanates and Epoxides.","Organic letters","2017","19","21","5786","5789","10.1021/acs.orglett.7b02722","","","0.71073","MoKα","","0.0222","0.02","","","0.0441","0.0451","","","","","","1.164","","","","has coordinates","202842","2020-10-21","18:00:00",""
"1547702","9.7097","0.0002","12.1431","0.0003","12.8881","0.0004","90","","90","","90","","1519.58","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","1","","Chen, Keliang; Zhang, Xuwen; Sun, Weiguang; Liu, Junjun; Yang, Jing; Chen, Chunmei; Liu, Xiulan; Gao, Limin; Wang, Jianping; Li, Hua; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Manginoids A-G: Seven Monoterpene-Shikimate-Conjugated Meroterpenoids with a Spiro Ring System from Guignardia mangiferae.","Organic letters","2017","19","21","5956","5959","10.1021/acs.orglett.7b02955","","","1.54178","CuKα","","0.0356","0.0355","","","0.0963","0.0964","","","","","","1.035","","","","has coordinates","202855","2020-10-21","18:00:00",""
"1547704","10.2354","0.001","14.6975","0.0011","16.2321","0.0013","90","","90","","90","","2441.9","0.4","299.6","0.8","299.6","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 O7 S -","- C27 H20 O7 S -","- C108 H80 O28 S4 -","4","1","","Doyle, Lisa M.; O'Sullivan, Shane; Di Salvo, Claudia; McKinney, Michelle; McArdle, Patrick; Murphy, Paul V.","Stereoselective Epimerizations of Glycosyl Thiols.","Organic letters","2017","19","21","5802","5805","10.1021/acs.orglett.7b02760","","","0.71073","MoKα","","0.0776","0.0496","","","0.1235","0.1405","","","","","","1.015","","","","has coordinates","202867","2020-10-21","18:00:00",""
"1547711","7.0558","0.0002","11.7298","0.0003","17.7125","0.0005","90","","90","","90","","1465.94","0.07","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O3 -","- C16 H22 O3 -","- C64 H88 O12 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0331","0.0298","","","0.0729","0.0755","","","","","","1.047","","","","has coordinates","202108","2020-10-21","18:00:00",""
"1547716","8.574","","8.8","","17.704","","90","","90","","90","","1335.79","","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Guo-Ming Ho; Medel Manuel L. Zulueta; Shang-Cheng Hung","Stereoselective one-pot synthesis of polypropionates","Nature Cummunications","2017","8","","679","","10.1038/s41467-017-00787-y","","","0.71073","MoKα","","0.0273","0.0257","","","0.0632","0.0641","","","","","","1.066","","","","has coordinates","202113","2020-10-21","18:00:00",""
"1547739","8.3616","0.0001","8.7783","0.0001","19.3853","0.0003","90","","90","","90","","1422.89","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C68 H56 O20 -","4","1","","Luo, Kui; Cao, Tongxiang; Jiang, Huanfeng; Chen, Lianfen; Zhu, Shifa","Gold-Catalyzed Ring Expansion of Enyne-Lactone: Generation and Transformation of 2-Oxoninonium.","Organic letters","2017","19","21","5856","5859","10.1021/acs.orglett.7b02834","","x-ray","1.54184","CuKα","","0.0298","0.0294","","","0.0801","0.0804","","","","","","1.152","","","","has coordinates","202860","2020-10-21","18:00:00",""
"1547779","6.738","0.0003","17.0684","0.0008","17.5974","0.0007","90","","90","","90","","2023.82","0.15","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br N2 O2 S2 -","- C19 H23 Br N2 O2 S2 -","- C76 H92 Br4 N8 O8 S8 -","4","1","","Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi","A Combined Experimental and Theoretical Study on the Circular Dichroism of Staggered and Eclipsed Forms of Dimethoxy[2.2]-, [3.2]-, and [3.3]Pyridinophanes and Their Protonated Forms.","The journal of physical chemistry. A","2017","121","44","8389","8398","10.1021/acs.jpca.7b08623","","","0.71075","MoKα","","","0.0451","","","","0.0466","","","","","","0.968","","","","has coordinates","203991","2020-10-21","18:00:00",""
"1547784","6.1589","0.0006","7.3312","0.0008","38.746","0.004","90","","90","","90","","1749.5","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Br N2 O2 -","- C20 H15 Br N2 O2 -","- C80 H60 Br4 N8 O8 -","4","1","","Maity, Sanjay; Saha, Mithu; Hazra, Gurupada; Ghorai, Prasanta","Switchable Chemoselectivity for Organocatalytic, Asymmetric Malononitrile Addition to ortho-Formyl Chalcones.","Organic letters","2017","19","21","5872","5875","10.1021/acs.orglett.7b02862","","","0.71073","MoKα","","0.0464","0.0318","","","0.0552","0.0581","","","","","","1.033","","","","has coordinates","202843","2020-10-21","18:00:00",""
"1547791","9.3208","0.0004","12.8006","0.0006","19.003","0.0009","90","","90","","90","","2267.28","0.18","290.64","0.1","290.64","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br N3 O3 -","- C26 H22 Br N3 O3 -","- C104 H88 Br4 N12 O12 -","4","1","","Zhang, Qian; Guo, Songsong; Yang, Jian; Yu, Kunru; Feng, Xiaoming; Lin, Lili; Liu, Xiaohua","Asymmetric Formal [3 + 2]-Cycloaddition of Azomethine Imines with Azlactones To Synthesize Bicyclic Pyrazolidinones.","Organic letters","2017","19","21","5826","5829","10.1021/acs.orglett.7b02772","","x-ray","1.54184","CuKα","","0.048","0.0469","","","0.1198","0.1214","","","","","","1.037","","","","has coordinates","202866","2020-10-21","18:00:00",""
"1547800","7.3285","0.0002","9.4849","0.0002","40.0645","0.0008","90","","90","","90","","2784.89","0.11","291","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl Fe N2 -","- C27 H23 Cl Fe N2 -","- C108 H92 Cl4 Fe4 N8 -","4","1","","Chen, Zhixiong; Han, Lu; Tian, Shi-Kai","Activation and Substitution of 1-Ferrocenylalkylamines with Allenones: Application to Three-Component Synthesis of 4-(1-Ferrocenylalkyl)pyrazoles.","Organic letters","2017","19","21","5852","5855","10.1021/acs.orglett.7b02830","","","1.54184","CuKα","","0.0855","0.0708","","","0.1946","0.209","","","","","","1.064","","","","has coordinates","202857","2020-10-21","18:00:00",""
"1547824","10.02693","0.00017","11.10793","0.00017","14.3797","0.0003","90","","90","","90","","1601.59","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 I O5 -","- C15 H25 I O5 -","- C60 H100 I4 O20 -","4","1","","Hurtak, Jessica A.; McDonald, Frank E.","Synthesis of the ABC Substructure of Brevenal by Sequential exo-Mode Oxacyclizations of Acyclic Polyene Precursors.","Organic letters","2017","19","22","6036","6039","10.1021/acs.orglett.7b02538","","","0.71073","MoKα","","0.024","0.0238","","","0.0612","0.0613","","","","","","1.116","","","","has coordinates","204888","2020-10-21","18:00:00",""
"1547835","8.3146","0.0004","11.1767","0.0005","16.4216","0.0007","90","","90","","90","","1526.06","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-11-methoxy-7-methyl-1,2,3,5,6,7-hexahydro-4H-benzo[3,4] cyclohepta[1,2-b]benzofuran-4-one","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Joyce, Leo A.; Nawrat, Christopher C.; Sherer, Edward C.; Biba, Mirlinda; Brunskill, Andrew; Martin, Gary E.; Cohen, Ryan D.; Davies, Ian W.","Beyond optical rotation: what's left is not always right in total synthesis.","Chemical science","2018","9","2","415","424","10.1039/c7sc04249c","","","1.54178","CuKα","","0.0245","0.0243","","","0.0622","0.0624","","","","","","1.089","","","","has coordinates","228725","2020-10-21","18:00:00",""
"1547852","8.79926","0.00016","12.3307","0.0003","14.2867","0.0003","90","","90","","90","","1550.12","0.06","143.1","0.4","143.1","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-19-Hydroxyeburnamine","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0279","0.0272","","","0.0705","0.0712","","","","","","1.067","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547855","12.53164","0.00019","12.8094","0.0002","19.2522","0.0003","90","","90","","90","","3090.42","0.08","144","1","144","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-19-Oxoeburnamonine","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C152 H160 N16 O16 -","8","2","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0321","0.0304","","","0.0745","0.076","","","","","","1.041","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547857","8.49956","0.00018","12.2136","0.0003","16.9889","0.0004","90","","90","","90","","1763.62","0.07","143.3","0.9","143.3","0.9","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-19-Hydroxy-O-ethylisoeburnamine","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","","Chong, Kam-Weng; Yeap, Joanne Soon-Yee; Lim, Siew-Huah; Weber, Jean-Frédéric F; Low, Yun-Yee; Kam, Toh-Seok","Biosynthetic Enantiodivergence in the Eburnane Alkaloids from Kopsia.","Journal of natural products","2017","80","11","3014","3024","10.1021/acs.jnatprod.7b00621","","","1.54184","CuKα","","0.0335","0.0318","","","0.0784","0.0805","","","","","","1.068","","","","has coordinates","203988","2020-10-21","18:00:00",""
"1547908","5.973","0.0005","15.888","0.0014","18.3194","0.0016","90","","90","","90","","1738.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","60473-99","gene637","","- C22 H20 Cl F O -","- C22 H20 Cl F O -","- C88 H80 Cl4 F4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0376","0.0341","","","0.0801","0.0825","","","","","","1.045","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547934","5.737","0.0003","15.6229","0.0007","18.8695","0.0008","90","","90","","90","","1691.25","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","71452-12","gene836","","- C20 H19 Cl O S -","- C20 H19 Cl O S -","- C80 H76 Cl4 O4 S4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0389","0.0341","","","0.0778","0.0796","","","","","","1.059","","","","has coordinates,has disorder","204891","2020-10-21","18:00:00",""
"1547937","5.8984","0.0003","16.5715","0.0008","17.3993","0.0008","90","","90","","90","","1700.7","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","60473-72","gene603","","- C22 H21 F O -","- C22 H21 F O -","- C88 H84 F4 O4 -","4","1","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0538","0.0429","","","0.0881","0.0926","","","","","","1.091","","","","has coordinates","204891","2020-10-21","18:00:00",""
"1547939","5.9092","0.0003","13.9608","0.0005","39.1514","0.0016","90","","90","","90","","3229.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","71452-17","gene865","","- C20 H20 O S -","- C20 H20 O S -","- C160 H160 O8 S8 -","8","2","","Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis","Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.","Organic letters","2017","19","22","6212","6215","10.1021/acs.orglett.7b03141","","","0.71073","MoKα","","0.0579","0.0436","","","0.0909","0.0963","","","","","","1.04","","","","has coordinates,has disorder","204891","2020-10-21","18:00:00",""
"1547950","9.4226","0.0003","10.7168","0.0003","13.2648","0.0004","90","","90","","90","","1339.48","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0328","0.0276","","","0.0645","0.0705","","","","","","1.212","","","","has coordinates","203039","2020-10-21","18:00:00",""
"1547951","9.2129","0.0005","10.5779","0.0005","13.0532","0.0006","90","","90","","90","","1272.08","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0313","0.0286","","","0.0659","0.0687","","","","","","1.104","","","","has coordinates","203040","2020-10-21","18:00:00",""
"1547952","9.1029","0.001","10.5419","0.0009","12.9562","0.0008","90","","90","","90","","1243.3","0.19","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0589","0.0525","","","0.1326","0.1405","","","","","","1.109","","","","has coordinates","203041","2020-10-21","18:00:00",""
"1547953","9.0638","0.0003","10.4978","0.0003","12.9039","0.0004","90","","90","","90","","1227.81","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0298","0.0281","","","0.0668","0.0677","","","","","","1.189","","","","has coordinates","203042","2020-10-21","18:00:00",""
"1547956","9.6089","0.0003","10.8491","0.0003","13.4542","0.0004","90","","90","","90","","1402.57","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0474","0.0307","","","0.0514","0.0547","","","","","","1.037","","","","has coordinates","203045","2020-10-21","18:00:00",""
"1547957","9.6184","0.0004","10.8488","0.0004","13.4471","0.0004","90","","90","","90","","1403.18","0.09","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0545","0.0457","","","0.1126","0.1187","","","","","","1.21","","","","has coordinates","203046","2020-10-21","18:00:00",""
"1547966","9.4883","0.0003","10.7299","0.0004","13.3288","0.0005","90","","90","","90","","1356.99","0.08","4","2","3.93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0215","0.0205","","","0.0433","0.0437","","","","","","1.076","","","","has coordinates","203055","2020-10-21","18:00:00",""
"1547987","5.279","0.0005","11.5315","0.0008","23.4325","0.0019","90","","90","","90","","1426.4","0.2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 Cl O3 S -","- C13 H17 Cl O3 S -","- C52 H68 Cl4 O12 S4 -","4","1","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.0434","0.0377","","","0.0785","0.0808","","","","","","1.08","","","","has coordinates,has disorder","203076","2020-10-21","18:00:00",""
"1548028","13.5631","0.0005","21.2452","0.0007","23.4879","0.0008","90","","90","","90","","6768.1","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H116 N4 Na O8 P Si3 Th -","- C56 H116 N4 Na O8 P Si3 Th -","- C224 H464 N16 Na4 O32 P4 Si12 Th4 -","4","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.051","0.0377","","","0.0621","0.0659","","","","","","1.01","","","","has coordinates","203153","2020-10-21","18:00:00",""
"1548095","11.83314","0.0001","22.09845","0.00018","22.8903","0.00019","90","","90","","90","","5985.68","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H99 K N5 O6 Si3 U -","- C53 H99 K N5 O6 Si3 U -","- C212 H396 K4 N20 O24 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.016","0.0158","","","0.0373","0.0374","","","","","","1.062","","","","has coordinates","203279","2020-10-21","18:00:00",""
"1548122","7.7431","0.0007","14.6879","0.0014","14.9959","0.0014","90","","90","","90","","1705.5","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Polystachyne H","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Bautista, Elihú; Ortiz-Pastrana, Naytzé; Pastor-Palacios, Guillermo; Montoya-Contreras, Angélica; Toscano, Rubén A; Morales-Jiménez, Jesús; Salazar-Olivo, Luis A; Ortega, Alfredo","neo-Clerodane Diterpenoids from Salvia polystachya Stimulate the Expression of Extracellular Matrix Components in Human Dermal Fibroblasts.","Journal of natural products","2017","80","11","3003","3009","10.1021/acs.jnatprod.7b00591","","","1.54178","CuKα","","0.0287","0.0284","","","0.075","0.0753","","","","","","1.062","","","","has coordinates","203989","2020-10-21","18:00:00",""
"1548130","5.7561","0.0012","10.135","0.002","20.636","0.004","90","","90","","90","","1203.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C48 H52 N4 O16 S4 -","4","1","","Wu, Yang; Yuan, Chunhao; Wang, Chang; Mao, Biming; Jia, Hao; Gao, Xing; Liao, Jianning; Jiang, Feng; Zhou, Leijie; Wang, Qijun; Guo, Hongchao","Palladium-Catalyzed [5 + 2] Cycloaddition of Vinyloxiranes with Sulfamate-Derived Cyclic Imines To Construct 1,3-Oxazepine Heterocycles.","Organic letters","2017","19","23","6268","6271","10.1021/acs.orglett.7b02704","","","0.71073","MoKα","","0.0799","0.0587","","","0.1004","0.1081","","","","","","1.122","","","","has coordinates","204896","2020-10-21","18:00:00",""
"1548139","14.453","0.0006","24.1484","0.001","24.504","0.001","90","","90","","90","","8552.3","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Ge O3 -","- C32 H38 Ge O3 -","- C384 H456 Ge12 O36 -","12","3","","Eibel, Anna; Radebner, Judith; Haas, Michael; Fast, David E.; Freißmuth, Hilde; Stadler, Eduard; Faschauner, Paul; Torvisco, Ana; Lamparth, Iris; Moszner, Norbert; Stueger, Harald; Gescheidt, Georg","From mono- to tetraacylgermanes: extending the scope of visible light photoinitiators","Polymer Chemistry","2018","9","1","38","","10.1039/C7PY01590A","","","0.71073","MoKα","","0.0629","0.0443","","","0.0962","0.1051","","","","","","1.025","","","","has coordinates","230955","2020-10-21","18:00:00",""
"1548147","9.52266","0.00009","9.79219","0.0001","21.7134","0.0002","90","","90","","90","","2024.72","0.03","100","0.3","100","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 F3 N4 Na O5 -","- C16 H20 F3 N4 Na O5 -","- C64 H80 F12 N16 Na4 O20 -","4","1","","Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz","Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems","The Journal of Physical Chemistry C","2017","121","48","26713","","10.1021/acs.jpcc.7b09705","","x-ray","0.71073","MoKα","","0.0226","0.022","","","0.0578","0.0584","","","","","","1.074","","","","has coordinates","204873","2020-10-21","18:00:00",""
"1548190","6.8269","0.0004","11.8121","0.0007","39.687","0.003","90","","90","","90","","3200.4","0.4","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2aS,4S,5'R,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5',6a,8a,9-tetramethyl-4-(4-p","","- C37 H54 O3 -","- C37 H54 O3 -","- C148 H216 O12 -","4","1","","Xi Lu; Bin Xiao; Zhenqi Zhang; Tianjun Gong; Wei Su; Jun Yi; Yao Fu; Lei Liu","Practical carbon?carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation","Nature Communications","2016","7","","11129","","10.1038/ncomms11129","","","1.54184","CuKα","","0.0721","0.0534","","","0.1236","0.145","","","","","","1.074","","","","has coordinates","203526","2020-10-21","18:00:00",""
"1548197","13.8114","0.0002","14.0525","0.0002","20.7957","0.0003","90","","90","","90","","4036.13","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H24 Cl2 N8 O15 Ru -","- C40 H24 Cl2 N8 O15 Ru -","- C160 H96 Cl8 N32 O60 Ru4 -","4","1","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","1.54178","CuKα","","0.0462","0.0438","","","0.1168","0.1195","","","","","","1.027","","","","has coordinates","203533","2020-10-21","18:00:00",""
"1548198","13.7734","0.0002","14.0148","0.0002","20.71","0.0003","90","","90","","90","","3997.68","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H18 Cl2 N8 O15 Ru -","- C40 H18 Cl2 N8 O15 Ru -","- C160 H72 Cl8 N32 O60 Ru4 -","4","1","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","1.54184","CuKα","","0.0424","0.0409","","","0.1069","0.1084","","","","","","1.032","","","","has coordinates,has disorder","203534","2020-10-21","18:00:00",""
"1548202","12.153","0.002","15.986","0.003","18.29","0.003","90","","90","","90","","3553.3","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 Co N6 O8 S4 -","- C28 H52 Co N6 O8 S4 -","- C112 H208 Co4 N24 O32 S16 -","4","1","","Yvonne Rechkemmer; Frauke D. Breitgoff; Margarethe van der Meer; Mihail Atanasov; Michael Hakl; Milan Orlita; Petr Neugebauer; Frank Neese; Biprajit Sarkar; Joris van Slageren","A four-coordinate cobalt(II) single-ion magnet with coercivity and a very high energy barrier","Nature Communications","2016","7","","10467","","10.1038/ncomms10467","","","0.71073","MoKα","","0.0201","0.0193","","","0.0527","0.0531","","","","","","1.032","","","","has coordinates","203539","2020-10-21","18:00:00",""
"1548225","7.6184","0.0003","16.5442","0.0008","18.1572","0.0008","90","","90","","90","","2288.54","0.17","294.9","0.15","294.9","0.15","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O2 Si -","- C24 H32 O2 Si -","- C96 H128 O8 Si4 -","4","1","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","0.7107","MoKα","","0.0656","0.0489","","","0.1076","0.1184","","","","","","1.054","","","","has coordinates","203610","2020-10-21","18:00:00",""
"1548228","15.2428","0.0011","15.4175","0.0016","21.1538","0.0012","90","","90","","90","","4971.3","0.7","298.06","0.14","298.06","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C224 H288 O32 -","16","4","","Zhi-Wei Jiao; Yong-Qiang Tu; Qing Zhang; Wen-Xing Liu; Shu-Yu Zhang; Shao-Hua Wang; Fu-Min Zhang; Sen Jiang","Tandem C-H oxidation/cyclization/rearrangement and its application to asymmetric syntheses of (-)-brussonol and (-)-przewalskine E","Nature Communications","2015","6","","7332","","10.1038/ncomms8332","","","0.7107","MoKα","","0.1499","0.0655","","","0.126","0.1695","","","","","","0.937","","","","has coordinates","203613","2020-10-21","18:00:00",""
"1548239","6.3828","0.0001","14.8993","0.0001","32.605","0.0002","90","","90","","90","","3100.71","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H45 O7 -","- C34 H44 O7 -","- C136 H176 O28 -","4","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","","1.54178","CuKα","","0.0283","0.0278","","","0.0723","0.0727","","","","","","1.044","","","","has coordinates","228738","2020-10-21","18:00:00",""
"1548240","12.4836","0.0002","12.5791","0.0002","20.1204","0.0003","90","","90","","90","","3159.56","0.09","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 O7 -","- C34 H46 O7 -","- C136 H184 O28 -","4","1","","Cheng, Min-Jing; Cao, Jia-Qing; Yang, Xin-Yi; Zhong, Li-Ping; Hu, Li-Jun; Lu, Xi; Hou, Bao-Long; Hu, Ya-Jian; Wang, Ying; You, Xue-Fu; Wang, Lei; Ye, Wen-Cai; Li, Chuang-Chuang","Catalytic asymmetric total syntheses of myrtucommuacetalone, myrtucommuacetalone B, and callistrilones A, C, D and E.","Chemical science","2018","9","6","1488","1495","10.1039/c7sc04672c","","x-ray","1.54184","CuKα","","0.0464","0.0456","","","0.1213","0.1222","","","","","","1.043","","","","has coordinates,has disorder","228738","2020-10-21","18:00:00",""
"1548241","6.8237","0.0004","9.6779","0.0006","23.209","0.0013","90","","90","","90","","1532.7","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-((S)-2,2-dimethyl-1-(pyridin-2-yl)propyl)-2-((S)-tetrahydrofuran-2-yl)acetamide","","- C16 H23 N2 O2 -","- C16 H23 N2 O2 -","- C64 H92 N8 O8 -","4","1","","Kim, Yechan; Kim, Seoung-Tae; Kang, Dahye; Sohn, Te-Ik; Jang, Eunyoung; Baik, Mu-Hyun; Hong, Sungwoo","Stereoselective construction of sterically hindered oxaspirocycles <i>via</i> chiral bidentate directing group-mediated C(sp<sup>3</sup>)-O bond formation.","Chemical science","2018","9","6","1473","1480","10.1039/c7sc04691j","","","0.71073","MoKα","","0.0349","0.0338","","","0.0981","0.0995","","","","","","1.084","","","","has coordinates","228732","2020-10-21","18:00:00",""
"1548246","15.99","0.002","28.164","0.004","30.875","0.004","90","","90","","90","","13904","3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C158 H140 N4 O12 Si4 -","- C158 H140 N4 O12 Si4 -","- C632 H560 N16 O48 Si16 -","4","1","","Wataru Makiguchi; Junki Tanabe; Hidekazu Yamada; Hiroki Iida; Daisuke Taura; Naoki Ousaka; Eiji Yashima","Chirality- and sequence-selective successive self-sorting via specific homo- and complementary-duplex formations","Nature Communications","2015","6","","7236","","10.1038/ncomms8236","","","0.71075","MoKα","","0.1431","0.1342","","","0.3443","0.352","","","","","","1.125","","","","has coordinates","203679","2020-10-21","18:00:00",""
"1548280","6.6645","0.0002","14.5838","0.0005","16.6379","0.0005","90","","90","","90","","1617.1","0.09","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.0385","0.0375","","","0.1008","0.1021","","","","","","1.056","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548281","10.5798","0.0002","11.3154","0.0002","12.4063","0.0002","90","","90","","90","","1485.22","0.05","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Fan, Yao-Yue; Xu, Jin-Biao; Liu, Hong-Chun; Gan, Li-She; Ding, Jian; Yue, Jian-Min","Cephanolides A-J, Cephalotane-Type Diterpenoids from Cephalotaxus sinensis.","Journal of natural products","2017","80","12","3159","3166","10.1021/acs.jnatprod.7b00412","","","1.54178","CuKα","","0.038","0.0357","","","0.1089","0.1125","","","","","","0.946","","","","has coordinates","204786","2020-10-21","18:00:00",""
"1548287","6.662","0.0006","11.5786","0.0011","25.333","0.002","90","","90","","90","","1954.1","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O5 -","- C22 H32 O5 -","- C88 H128 O20 -","4","1","","Endo, Yuta; Kasahara, Taku; Harada, Kenicni; Kubo, Miwa; Etoh, Tadahiro; Ishibashi, Masami; Ishiyama, Aki; Iwatsuki, Masato; Otoguro, Kazuhiko; O Mura, Satoshi; Akisue, Gokithi; Hirano, Tomoya; Kagechika, Hiroyuki; Fukuyama, Yoshiyasu; Ohsaki, Ayumi","Sucupiranins A-L, Furanocassane Diterpenoids from the Seeds of Bowdichia virgilioides.","Journal of natural products","2017","80","12","3120","3127","10.1021/acs.jnatprod.7b00249","","","0.71073","MoK/a","","0.0497","0.0444","","","0.0915","0.0967","","","","","","2.555","","","","has coordinates","275205","2022-05-07","03:35:09",""
"1548288","7.764","0.0007","10.8733","0.001","24.687","0.002","90","","90","","90","","2084.1","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C92 H112 O28 -","4","1","","Endo, Yuta; Kasahara, Taku; Harada, Kenicni; Kubo, Miwa; Etoh, Tadahiro; Ishibashi, Masami; Ishiyama, Aki; Iwatsuki, Masato; Otoguro, Kazuhiko; O Mura, Satoshi; Akisue, Gokithi; Hirano, Tomoya; Kagechika, Hiroyuki; Fukuyama, Yoshiyasu; Ohsaki, Ayumi","Sucupiranins A-L, Furanocassane Diterpenoids from the Seeds of Bowdichia virgilioides.","Journal of natural products","2017","80","12","3120","3127","10.1021/acs.jnatprod.7b00249","","","0.71073","MoKα","","0.0511","0.0468","","","0.1127","0.1134","","","","","","3.193","","","","has coordinates","204789","2020-10-21","18:00:00",""
"1548317","6.991","0.005","10.778","0.005","15.575","0.005","90","","90","","90","","1173.6","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cu N4 O5 -","- C8 H12 Cu N4 O5 -","- C32 H48 Cu4 N16 O20 -","4","1","","Carlos Carbonell; Kyriakos C. Stylianou; Jordi Hernando; Emi Evangelio; Sarah A. Barnett; Saju Nettikadan; Inhar Imaz; Daniel Maspoch","Femtolitre chemistry assisted by microfluidic pen lithography","Nature Communications","2013","4","","2173","","10.1038/ncomms3173","","","0.71073","MoKα","","0.1272","0.069","","","0.1471","0.1805","","","","","","0.913","","","","has coordinates","203780","2020-10-21","18:00:00",""
"1548318","8.768","0.005","15.22","0.005","18.86","0.005","90","","90","","90","","2516.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 N8 Ni O13 -","- C16 H36 N8 Ni O13 -","- C64 H144 N32 Ni4 O52 -","4","1","","Carlos Carbonell; Kyriakos C. Stylianou; Jordi Hernando; Emi Evangelio; Sarah A. Barnett; Saju Nettikadan; Inhar Imaz; Daniel Maspoch","Femtolitre chemistry assisted by microfluidic pen lithography","Nature Communications","2013","4","","2173","","10.1038/ncomms3173","","","0.71073","MoKα","","0.1234","0.0926","","","0.2144","0.2404","","","","","","1.037","","","","has coordinates","203781","2020-10-21","18:00:00",""
"1548351","14.339","0.0026","14.3374","0.0026","14.3642","0.0013","90","","90","","90","","2953","0.8","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Fe4 Na4 O36 P12 -","- Fe4 Na4 O36 P12 -","- Fe16 Na16 O144 P48 -","4","1","","Xinghao Lin; Yanming Zhao; Youzhong Dong; Quan Kuang","Synthesis and structural data of a Fe-base sodium metaphosphate compound, NaFe(PO3)3","Data in Brief","2015","4","","217","221","10.1016/j.dib.2015.05.022","powder diffraction","x-ray","1.5406","","","","","","","","","0.10545","","1.6","","","","","","","has coordinates","203863","2020-10-21","18:00:00",""
"1548360","9.499","0.0013","10.5848","0.0015","43.643","0.006","90","","90","","90","","4388.1","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","none","2-methoxyestradiol-3,17-O,O-bis-sulfamate hemihydrate","","- C19 H29 N2 O7.5 S2 -","- C19 H28 N2 O7.5 S2 -","- C152 H224 N16 O60 S16 -","8","2","","Mino R. Caira; Susan A. Bourne; Halima Samsodien","Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate","Journal of Pharmaceutical Sciences","2015","104","","3418","3425","10.1002/jps.24545","","","0.71073","MoKα","","0.0698","0.0613","","","0.1278","0.1307","","","","","","1.18","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""
"1548365","7.7318","0.0004","14.2451","0.0008","21.9203","0.0017","90","","90","","90","","2414.3","0.3","170.5","","170.5","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N3 O5 -","- C29 H23 N3 O5 -","- C116 H92 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0591","0.0414","","","0.0932","0.1079","","","","","","1.124","","","","has coordinates","203928","2020-10-21","18:00:00",""
"1548366","7.6735","0.0005","14.4087","0.0011","21.653","0.002","90","","90","","90","","2394.1","0.3","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N3 O5 -","- C28 H21 N3 O5 -","- C112 H84 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0558","0.04","","","0.0937","0.1024","","","","","","1.037","","","","has coordinates","203929","2020-10-21","18:00:00",""
"1548367","7.7205","0.0004","14.332","0.0009","22.282","0.001","90","","90","","90","","2465.5","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 F N3 O5 -","- C29 H22 F N3 O5 -","- C116 H88 F4 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0512","0.0369","","","0.0878","0.0983","","","","","","1.057","","","","has coordinates","203930","2020-10-21","18:00:00",""
"1548368","10.4773","0.0006","11.3275","0.0006","15.9059","0.0008","90","","90","","90","","1887.74","0.18","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N3 O5 -","- C22 H17 N3 O5 -","- C88 H68 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0441","0.0337","","","0.079","0.0847","","","","","","1.05","","","","has coordinates","203931","2020-10-21","18:00:00",""
"1548401","8.9464","0.0009","16.7038","0.0015","19.5947","0.0018","90","","90","","90","","2928.2","0.5","","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Cl N2 O4 S -","- C32 H29 Cl N2 O4 S -","- C128 H116 Cl4 N8 O16 S4 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.067","0.0529","","","0.1206","0.1283","","","","","","1.047","","","","has coordinates","204076","2020-10-21","18:00:00",""
"1548402","8.9148","0.0006","16.9063","0.0012","19.8682","0.0014","90","","90","","90","","2994.5","0.4","","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Cl N2 O4 S -","- C33 H31 Cl N2 O4 S -","- C132 H124 Cl4 N8 O16 S4 -","4","1","","Peng-Wei Xu; Jia-Kuan Liu; Lan Shen; Zhong-Yan Cao; Xiao-Li Zhao; Jun Yan; Jian Zhou","Diastereo- and enantioselective [3 + 3] cycloaddition of spirocyclopropyl oxindoles using both aldonitrones and ketonitrones","Nature Communications","2017","8","","1619","","10.1038/s41467-017-01451-1","","x-ray","0.71073","MoKα","","0.0682","0.0438","","","0.1001","0.113","","","","","","1.009","","","","has coordinates","204077","2020-10-21","18:00:00",""
"1548418","5.9278","0.0001","8.3994","0.0002","31.263","0.002","90","","90","","90","","1556.58","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 S -","- C16 H19 N O2 S -","- C64 H76 N4 O8 S4 -","4","1","","Chaosheng Luo; Zhen Wang; Yong Huang","Asymmetric intramolecular alpha-cyclopropanation of aldehydes using a donor/acceptor carbene mimetic","Nature Communications","2015","6","","10041","","10.1038/ncomms10041","","","1.54178","CuKα","","0.044","0.0423","","","0.1102","0.1119","","","","","","1.103","","","","has coordinates","204154","2020-10-21","18:00:00",""
"1548441","16.004","0.004","21.403","0.005","32.93","0.008","90","","90","","90","","11280","5","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H37 B2 F3 N2 O2 -","- C39 H47 B2 F3 N2 O2 -","- C468 H564 B24 F36 N24 O24 -","12","3","","Katsuma, Yuhei; Asakawa, Hiroki; Yamashita, Makoto","Reactivity of highly Lewis acidic diborane(4) towards pyridine and isocyanide: formation of boraalkene-pyridine complex and <i>ortho</i>-functionalized pyridine derivatives.","Chemical science","2018","9","5","1301","1310","10.1039/c7sc04759b","","","0.71075","MoKα","","0.0961","0.0893","","","0.2177","0.2235","","","","","","1.143","","","","has coordinates,has disorder","228695","2020-10-21","18:00:00",""
"1548455","10.3192","0.0003","11.0867","0.0004","17.4057","0.0006","90","","90","","90","","1991.31","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0296","0.028","","","0.0682","0.0691","","","","","","1.095","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548456","6.1094","0.0003","14.2823","0.0006","19.8409","0.0008","90","","90","","90","","1731.24","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","","Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain","Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.","Chemical science","2018","9","5","1352","1357","10.1039/c7sc04435f","","","1.54178","CuKα","","0.0303","0.0285","","","0.0687","0.0698","","","","","","1.091","","","","has coordinates","228693","2020-10-21","18:00:00",""
"1548475","8.8437","0.0009","13.309","0.0013","16.8901","0.0017","90","","90","","90","","1988","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0605","0.0389","","","0.0911","0.1024","","","","","","1.018","","","","has coordinates","204343","2020-10-21","18:00:00",""
"1548476","10.6408","0.0003","17.7283","0.0005","18.1077","0.0005","90","","90","","90","","3415.9","0.17","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O3 -","- C18 H25 N O3 -","- C144 H200 N8 O24 -","8","2","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.07","0.0435","","","0.0928","0.1034","","","","","","1.013","","","","has coordinates","204344","2020-10-21","18:00:00",""
"1548477","9.3102","0.0003","9.6848","0.0003","18.5136","0.0006","90","","90","","90","","1669.32","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Milan Bergeron-Brlek; Michael Meanwell; Robert Britton","Direct synthesis of imino-C-nucleoside analogues and other biologically active iminosugars","Nature Communications","2015","6","","6903","","10.1038/ncomms7903","","","0.71073","MoKα","","0.0351","0.032","","","0.0775","0.0798","","","","","","1.069","","","","has coordinates","204345","2020-10-21","18:00:00",""
"1548496","8.4096","0.0006","15.0102","0.0012","18.0794","0.0014","90","","90","","90","","2282.2","0.3","","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O5 S -","- C25 H24 N2 O5 S -","- C100 H96 N8 O20 S4 -","4","1","","Ming Yang; Jian Li; Ang Li","Total synthesis of clostrubin","Nature Communications","2015","6","","6445","","10.1038/ncomms7445","","x-ray","0.71073","MoKα","","","0.04","","","0.102","","","","","","","1.03","","","","has coordinates","204396","2020-10-21","18:00:00",""
"1548497","8.3364","0.0001","9.3709","0.0002","21.315","0.0005","90","","90","","90","","1665.12","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Sesquiterpene","","","- C17 H26 O4 -","- C17 H26 O4 -","- C68 H104 O16 -","4","1","","Wen-Jian Lan; Sheng-Jiao Fu; Meng-Yang Xu; Wan-Ling Liang; Chi-Keung Lam; Guo-Hua Zhong; Jun Xu; De-Po Yang; Hou-Jin Li","Five New Cytotoxic Metabolites from the Marine Fungus Neosartorya pseudofischeri","Marine Drugs","2016","14","","18","","10.3390/md14010018","","","1.54178","CuKα","","0.0349","0.0326","","","0.0838","0.086","","","","","","1.048","","","","has coordinates","204398","2020-10-21","18:00:00",""
"1548504","9.7009","0.0006","14.5954","0.001","24.0063","0.0016","90","","90","","90","","3399","0.4","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 Ag Cl N O4 P2 -","- C40 H31 Ag Cl N O4 P2 -","- C160 H124 Ag4 Cl4 N4 O16 P8 -","4","1","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.0772","0.0708","","","0.1853","0.192","","","","","","1.054","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1548506","9.7572","0.0005","14.8314","0.0008","24.1685","0.0014","90","","90","","90","","3497.5","0.3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 Ag F6 N P3 -","- C40 H31 Ag F6 N P3 -","- C160 H124 Ag4 F24 N4 P12 -","4","1","","Lin Rong Er","Gold rectangle, silver rings and helices - A study of self-assembly and molecular recognition of metallo-supramolecules","Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE","2005","","","1","","","","","0.71073","MoKα","","0.0558","0.052","","","0.1233","0.1256","","","","","","1.148","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1548510","7.5243","0.0001","12.3365","0.0002","22.0854","0.0002","90","","90","","90","","2050.04","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","","1.54178","CuKα","","0.0307","0.0302","","","0.0806","0.0812","","","","","","1.031","","","","has coordinates","204417","2020-10-21","18:00:00",""
"1548511","8.87979","0.00013","12.7869","0.0002","17.5805","0.0003","90","","90","","90","","1996.18","0.05","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","x-ray","1.54178","CuKα","","0.0347","0.033","","","0.0846","0.0865","","","","","","1.042","","","","has coordinates","288248","2023-12-12","12:55:13",""
"1548514","11.1617","0.0004","11.3469","0.0003","15.3512","0.0005","90","","90","","90","","1944.24","0.11","173.01","0.1","173.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Cao, Jia-Qing; Tian, Hai-Yan; Li, Man-Mei; Zhang, Wei; Wang, Ying; Wang, Lei; Ye, Wen-Cai","Rearranged Phloroglucinol-Monoterpenoid Adducts from Callistemon rigidus","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00606","","x-ray","1.54178","CuKα","","0.0305","0.0286","","","0.0732","0.0752","","","","","","1.07","","","","has coordinates","288248","2023-12-12","12:55:24",""
"1548515","6.747","0.0001","13.2449","0.0003","18.87","0.0004","90","","90","","90","","1686.29","0.06","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Thomas, Santana A. L.; von Salm, Jacqueline L.; Clark, Shane; Ferlita, Steve; Nemani, Prasanth; Azhari, Ala; Rice, Christopher A.; Wilson, Nerida G.; Kyle, Dennis E.; Baker, Bill J.","Keikipukalides, Furanocembrane Diterpenes from the Antarctic Deep Sea Octocoral Plumarella delicatissima","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00732","","","1.54178","CuKα","","0.0433","0.0352","","","0.0698","0.0731","","","","","","1.048","","","","has coordinates","204422","2020-10-21","18:00:00",""
"1548516","8.7671","0.0002","11.4162","0.0003","19.4875","0.0004","90","","90","","90","","1950.44","0.08","100","2","100.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C88 H96 O28 -","4","1","","Thomas, Santana A. L.; von Salm, Jacqueline L.; Clark, Shane; Ferlita, Steve; Nemani, Prasanth; Azhari, Ala; Rice, Christopher A.; Wilson, Nerida G.; Kyle, Dennis E.; Baker, Bill J.","Keikipukalides, Furanocembrane Diterpenes from the Antarctic Deep Sea Octocoral Plumarella delicatissima","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00732","","","1.54178","CuKα","","0.0401","0.0344","","","0.0782","0.0812","","","","","","1.031","","","","has coordinates","204423","2020-10-21","18:00:00",""
"1548536","10.3826","0.0003","10.5016","0.0003","19.1653","0.0006","90","","90","","90","","2089.67","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H39 O8 -","- C22 H39 O8 -","- C88 H156 O32 -","4","1","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0377","0.0369","","","0.1048","0.1059","","","","","","1.008","","","","has coordinates","204488","2020-10-21","18:00:00",""
"1548540","9.5407","0.0004","11.7224","0.0005","19.9776","0.0009","90","","90","","90","","2234.29","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O8 -","- C23 H38 O8 -","- C92 H152 O32 -","4","1","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0436","0.0418","","","0.1128","0.1165","","","","","","1.101","","","","has coordinates","204492","2020-10-21","18:00:00",""
"1548542","8.6611","0.0009","13.5236","0.0013","18.6939","0.0012","90","","90","","90","","2189.6","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O8 -","- C23 H38 O8 -","- C92 H152 O32 -","4","1","","Zhou, Junfei; Liu, Tingting; Zhang, Hanqi; Zheng, Guijuan; Qiu, Yue; Deng, Mengyi; Zhang, Chun; Yao, Guangmin","Anti-inflammatory Grayanane Diterpenoids from the Leaves of Rhododendron molle","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00799","","","1.54178","CuKα","","0.0441","0.0424","","","0.1113","0.1127","","","","","","1.058","","","","has coordinates","204494","2020-10-21","18:00:00",""
"1548548","10.6433","0.0002","13.6676","0.0003","14.8419","0.0003","90","","90","","90","","2159.03","0.08","99.9","0.3","99.9","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","","Yu, Xiaoqin; Zhang, Qingqing; Tian, Li; Guo, Zhiyong; Liu, Chengxiong; Chen, Jianfeng; Ebrahim, Weaam; Liu, Zhen; Proksch, Peter; Zou, Kun","Germacrane-Type Sesquiterpenoids with Antiproliferative Activities from Eupatorium chinense","Journal of Natural Products","2017","","","","","10.1021/acs.jnatprod.7b00693","","x-ray","1.54184","CuKα","","0.0309","0.0299","","","0.0768","0.0777","","","","","","1.066","","","","has coordinates","204547","2020-10-21","18:00:00",""
"1548557","15.123","0.005","18.806","0.005","20.722","0.004","90","","90","","90","","5893","3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C240 H264 N48 O48 Zn12 -","12","3","","Marina Barsukova; Tatiana Goncharova; Denis Samsonenko; Danil Dybtsev; Andrei Potapov","Synthesis, Crystal Structure, and Luminescent Properties of New Zinc(II) and Cadmium(II) Metal-Organic Frameworks Based on Flexible Bis(imidazol-1-yl)alkane Ligands","Crystals","2016","6","","132","","10.3390/cryst6100132","","","1.54184","CuKα","","0.2661","0.1719","","","0.4597","0.5394","","","","","","1.76","","","","has coordinates","204581","2020-10-21","18:00:00",""
"1548559","8.6489","0.0013","10.414","0.0015","27.136","0.004","90","","90","","90","","2444.1","0.6","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N2 O5 -","- C27 H25 Cl N2 O5 -","- C108 H100 Cl4 N8 O20 -","4","1","","Muneer Ahamed; Bun Chan; Paul Jensen; Matthew H. Todd","The Outcome of the Oxidations of Unusual Enediamide Motifs Is Governed by the Stabilities of the Intermediate Iminium Ions","Plos One","2012","7","","47224","","10.1371/journal.pone.0047224","","","0.71073","MoKα","","0.0685","0.0334","","","0.0366","0.0397","","","","","","0.934","","","","has coordinates","288183","2023-12-08","14:42:07",""
"1548565","12.6608","0.0008","17.559","0.0013","18.5345","0.0014","90","","90","","90","","4120.4","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H51.88 Br4 Co N3 O Zn -","- C37 H51.884 Br4 Co N3 O Zn -","- C148 H207.536 Br16 Co4 N12 O4 Zn4 -","4","1","","Werth, Jacob; Uyeda, Christopher","Regioselective Simmons-Smith-type cyclopropanations of polyalkenes enabled by transition metal catalysis.","Chemical science","2018","9","6","1604","1609","10.1039/c7sc04861k","","","1.54178","CuKα","","0.057","0.0482","","","0.119","0.1234","","","","","","1.022","","","","has coordinates,has disorder","228736","2020-10-21","18:00:00",""
"1548612","6.2066","0.0005","16.3879","0.0014","16.6057","0.0016","90","","90","","90","","1689","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br N2 O2 -","- C19 H17 Br N2 O2 -","- C76 H68 Br4 N8 O8 -","4","1","","Yuan, Shiru; Luo, Yuchen; Peng, Jingyi; Miao, Maozhong; Xu, Jianfeng; Ren, Hongjun","Oxidative Asymmetric [2 + 3] Annulation of Aldehydes with Azomethine Imines Enabled by N-Heterocyclic Carbene Catalysis.","Organic letters","2017","19","22","6100","6103","10.1021/acs.orglett.7b02948","","","0.71073","MoKα","","0.0705","0.042","","","0.0777","0.0907","","","","","","1.055","","","","has coordinates","204779","2020-10-21","18:00:00",""
"1548613","6.1624","0.0006","7.7041","0.0007","30.136","0.003","90","","90","","90","","1430.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Luo, Hongwen; Yang, Zheng; Lin, Weilong; Zheng, Yangguangyan; Ma, Shengming","A catalytic highly enantioselective allene approach to oxazolines.","Chemical science","2018","9","7","1964","1969","10.1039/c7sc04079b","","","0.71073","MoKα","","0.026","0.023","","","0.0559","0.0569","","","","","","1.028","","","","has coordinates","228783","2020-10-21","18:00:00",""
"1548635","9.7798","0.0002","10.6568","0.0002","17.5257","0.0003","90","","90","","90","","1826.55","0.06","296","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Zheng, Xinxin; Guo, Rui; Zhang, Guozhu; Zhang, Dayong","Rhodium(i)-catalyzed asymmetric [4 + 2] cycloaddition reactions of 2-alkylenecyclobutanols with cyclic enones through C-C bond cleavage: efficient access to <i>trans</i>-bicyclic compounds.","Chemical science","2018","9","7","1873","1877","10.1039/c7sc04784c","","","1.54178","CuKα","","0.0454","0.0426","","","0.1134","0.1179","","","","","","1.043","","","","has coordinates","228788","2020-10-21","18:00:00",""
"1548636","7.786","0.003","8.024","0.003","16.081","0.005","90","","90","","90","","1004.7","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Ag N O4 -","- C8 H14 Ag N O4 -","- C32 H56 Ag4 N4 O16 -","4","1","","Fang, Yinzhi; Zhang, Han; Huang, Zhen; Scinto, Samuel L.; Yang, Jeffrey C.; Am Ende, Christopher W.; Dmitrenko, Olga; Johnson, Douglas S.; Fox, Joseph M.","Photochemical syntheses, transformations, and bioorthogonal chemistry of <i>trans</i>-cycloheptene and sila <i>trans</i>-cycloheptene Ag(i) complexes.","Chemical science","2018","9","7","1953","1963","10.1039/c7sc04773h","","","0.71073","MoKα","","0.0163","0.0162","","","0.0441","0.0442","","","","","","1.028","","","","has coordinates","228793","2020-10-21","18:00:00",""
"1548649","11.9273","0.0002","15.9773","0.0003","20.8434","0.0004","90","","90","","90","","3972.04","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 N4 O7 -","- C45 H58 N4 O7 -","- C180 H232 N16 O28 -","4","1","","Zhang, Yu; Yuan, Yu-Xi; Goto, Masuo; Guo, Ling-Li; Li, Xiao-Nian; Morris-Natschke, Susan L.; Lee, Kuo-Hsiung; Hao, Xiao-Jiang","Taburnaemines A‒I, Cytotoxic Vobasinyl-Iboga-Type Bisindole Alkaloids from Tabernaemontana corymbosa","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00949","","","1.54178","CuKα","","0.0318","0.0317","","","0.0811","0.0811","","","","","","1.088","","","","has coordinates","205040","2020-10-21","18:00:00",""
"1548650","9.4439","0.0002","18.2011","0.0003","24.5795","0.0004","90","","90","","90","","4224.95","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H56 N4 O8 -","- C47 H56 N4 O8 -","- C188 H224 N16 O32 -","4","1","","Zhang, Yu; Yuan, Yu-Xi; Goto, Masuo; Guo, Ling-Li; Li, Xiao-Nian; Morris-Natschke, Susan L.; Lee, Kuo-Hsiung; Hao, Xiao-Jiang","Taburnaemines A‒I, Cytotoxic Vobasinyl-Iboga-Type Bisindole Alkaloids from Tabernaemontana corymbosa","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00949","","","1.54178","CuKα","","0.0321","0.0315","","","0.0818","0.0824","","","","","","1.044","","","","has coordinates","205041","2020-10-21","18:00:00",""
"1548656","13.7157","0.0004","21.388","0.0007","65.483","0.002","90","","90","","90","","19209.5","1","100","2","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C192 H133 Ca2 O29 P4 -","- C192 H133 Ca2 O29 P4 -","- C768 H532 Ca8 O116 P16 -","4","1","","Uno, Brice E.; Dicken, Rachel D.; Redfern, Louis R.; Stern, Charlotte M.; Krzywicki, Greg G.; Scheidt, Karl A.","Calcium(ii)-catalyzed enantioselective conjugate additions of amines.","Chemical science","2018","9","6","1634","1639","10.1039/c7sc05205g","","","1.54178","CuKα","","0.0928","0.063","","","0.1295","0.1434","","","","","","0.928","","","","has coordinates","228735","2020-10-21","18:00:00",""
"1548669","5.6487","0.0003","16.7479","0.0011","16.9726","0.0014","90","","90","","90","","1605.67","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl (<i>Z</i>)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate","","- C15 H16 N4 O3 S -","- C15 H16 N4 O3 S -","- C60 H64 N16 O12 S4 -","4","1","HB4198","El-Hiti, Gamal A.; Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","Ethyl (<i>Z</i>)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate","IUCrData","2018","3","1","x171852","","10.1107/S2414314617018521","","","0.71073","MoKα","","0.0697","0.0477","","","0.1135","0.1297","","","","","","1.072","","","","has coordinates,has Fobs","205177","2020-10-21","18:00:00",""
"1548689","7.8343","0.0017","8.548","0.0019","37.351","0.008","90","","90","","90","","2501.3","0.9","","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Br O2 -","- C13 H15 Br O2 -","- C104 H120 Br8 O16 -","8","2","","Jiajing Tan; Cheol-Hong Cheon; Hisashi Yamamoto","Construction of Vicinal Tertiary and All Carbon Quaternary Centers by Catalytic Asymmetric Claisen Rearrangement of Enolphosphonates","Angewandte Chemie Int Ed Engl","2012","51","","8264","8267","10.1002/anie.201203092","","x-ray","0.71073","MoKα","","0.0828","0.0651","","","0.0923","0.1225","","","","","","0.794","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548690","5.5228","0.0002","17.4103","0.0007","22.1641","0.001","90","","90","","90","","2131.16","0.15","","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O7 -","- C22 H30 O7 -","- C88 H120 O28 -","4","1","","Yulin Ren; Ulyana Munoz Acuna; Francisco Jimenez; Ricardo Garcia; Melciades Mejia; Heebyung Chai; Judith C. Gallucci; Norman R. Farnsworth; Djaja D. Soejarto; Esperanza J. Carcache de Blanco; A. Douglas Kinghorn","Cytotoxic and NF-kB inhibitory sesquiterpene lactones from Piptocoma rufescens","Tetrahedron","2012","68","","2671","2678","10.1016/j.tet.2012.01.061","","x-ray","0.8856","synchrotron","","0.0602","399","","","0.0803","0.088","","","","","","1.036","","","","has coordinates","205223","2020-10-21","18:00:00",""
"1548698","6.955","0.0009","10.8072","0.0014","16.754","0.002","90","","90","","90","","1259.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 B10 O2 -","- C5 H16 B10 O2 -","- C20 H64 B40 O8 -","4","1","","Chan, Tek Long; Xie, Zuowei","Synthesis, structure and aromaticity of carborane-fused carbo- and heterocycles.","Chemical science","2018","9","8","2284","2289","10.1039/c7sc04722c","","","0.71073","MoKα","","0.1086","0.083","","","0.2047","0.2314","","","","","","1.05","","","","has coordinates","228678","2020-10-21","18:00:00",""
"1548709","9.8684","0.0008","9.903","0.0008","17.2493","0.0014","90","","90","","90","","1685.7","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Yang, Dan; Cheng, Zhong-Quan; Yang, Liu; Hou, Bo; Yang, Jing; Li, Xiao-Nian; Zi, Cheng-Ting; Dong, Fa-Wu; Liu, Zheng-Hua; Zhou, Jun; Ding, Zhong-Tao; Hu, Jiang-Miao","Seco-Dendrobine-Type Alkaloids and Bioactive Phenolics from Dendrobium findlayanum","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00150","","","1.54178","CuKα","","0.0503","0.0503","","","0.1684","0.1685","","","","","","1.083","","","","has coordinates","205335","2020-10-21","18:00:00",""
"1548710","9.1164","0.0003","10.3428","0.0003","15.9959","0.0005","90","","90","","90","","1508.24","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O4 -","- C16 H25 N O4 -","- C64 H100 N4 O16 -","4","1","","Yang, Dan; Cheng, Zhong-Quan; Yang, Liu; Hou, Bo; Yang, Jing; Li, Xiao-Nian; Zi, Cheng-Ting; Dong, Fa-Wu; Liu, Zheng-Hua; Zhou, Jun; Ding, Zhong-Tao; Hu, Jiang-Miao","Seco-Dendrobine-Type Alkaloids and Bioactive Phenolics from Dendrobium findlayanum","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00150","","","1.54178","CuKα","","0.0376","0.0376","","","0.094","0.094","","","","","","1.09","","","","has coordinates","205336","2020-10-21","18:00:00",""
"1548712","7.958","0.0005","9.836","0.0006","17.12","0.0011","90","","90","","90","","1340.07","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C60 H84 N4 O12 -","4","1","","Yang, Dan; Cheng, Zhong-Quan; Yang, Liu; Hou, Bo; Yang, Jing; Li, Xiao-Nian; Zi, Cheng-Ting; Dong, Fa-Wu; Liu, Zheng-Hua; Zhou, Jun; Ding, Zhong-Tao; Hu, Jiang-Miao","Seco-Dendrobine-Type Alkaloids and Bioactive Phenolics from Dendrobium findlayanum","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00150","","","1.54178","CuKα","","0.1615","0.1019","","","0.2698","0.3482","","","","","","1.194","","","","has coordinates","205338","2020-10-21","18:00:00",""
"1548722","8.6681","0.0006","10.3977","0.0007","11.4123","0.0008","90","","90","","90","","1028.57","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 O P -","- C12 H15 O P -","- C48 H60 O4 P4 -","4","1","","Zhang, Kui; Cai, Lingchao; Yang, Zhongyue; Houk, K. N.; Kwon, Ohyun","Bridged [2.2.1] bicyclic phosphine oxide facilitates catalytic γ-umpolung addition-Wittig olefination.","Chemical science","2018","9","7","1867","1872","10.1039/c7sc04381c","","","1.54178","CuKα","","0.0254","0.0252","","","0.0609","0.0612","","","","","","1.134","","","","has coordinates","228784","2020-10-21","18:00:00",""
"1548762","13.75991","0.00019","13.8927","0.0002","26.733","0.0004","90","","90","","90","","5110.34","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H75 Al N4 Zn -","- C54 H75 Al N4 Zn -","- C216 H300 Al4 N16 Zn4 -","4","1","","Bakewell, Clare; Ward, Bryan J.; White, Andrew J. P.; Crimmin, Mark R.","A combined experimental and computational study on the reaction of fluoroarenes with Mg-Mg, Mg-Zn, Mg-Al and Al-Zn bonds.","Chemical science","2018","9","8","2348","2356","10.1039/c7sc05059c","","","1.54184","CuKα","","0.043","0.0352","","","0.0812","0.0867","","","","","","1.014","","","","has coordinates","228675","2020-10-21","18:00:00",""
"1548767","5.18407","0.00015","8.7085","0.0003","29.2276","0.0008","90","","90","","90","","1319.49","0.07","130.01","0.1","130.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Sadgrove, Nicholas J.; Klepp, Julian; Legendre, Sarah V.A.-M.; Lyddiard, Dane; Sumby, Christopher J.; Greatrex, Ben W.","Revision of the Phytochemistry of Eremophila sturtii and E. mitchellii","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00616","","x-ray","1.54184","CuKα","","0.0407","0.035","","","0.0828","0.0858","","","","","","1.031","","","","has coordinates","205590","2020-10-21","18:00:00",""
"1548768","7.8987","0.0003","11.4701","0.0007","15.1331","0.0007","90","","90","","90","","1371.04","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Sadgrove, Nicholas J.; Klepp, Julian; Legendre, Sarah V.A.-M.; Lyddiard, Dane; Sumby, Christopher J.; Greatrex, Ben W.","Revision of the Phytochemistry of Eremophila sturtii and E. mitchellii","Journal of Natural Products","2018","","","","","10.1021/acs.jnatprod.7b00616","","x-ray","0.71073","MoKα","","0.0858","0.0571","","","0.1167","0.1303","","","","","","1.057","","","","has coordinates","205591","2020-10-21","18:00:00",""
"1548769","6.9832","0.0006","8.5007","0.0007","26.483","0.002","90","","90","","90","","1572.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl O4 -","- C17 H19 Cl O4 -","- C68 H76 Cl4 O16 -","4","1","","Ngamnithiporn, Aurapat; Jette, Carina I.; Bachman, Shoshana; Virgil, Scott C.; Stoltz, Brian M.","Nickel-catalyzed enantioselective allylic alkylation of lactones and lactams with unactivated allylic alcohols.","Chemical science","2018","9","9","2547","2551","10.1039/c7sc05216b","","","1.54178","CuKα","","0.0278","0.026","","","0.0656","0.0664","","","","","","1.06","","","","has coordinates","228795","2020-10-21","18:00:00",""
"1548796","4.8809","0.0002","8.5668","0.0004","4.3433","0.0002","90","","90","","90","","181.609","0.014","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- O2 Te -","- O2 Te -","- O8 Te4 -","4","1","HB4189","Weil, Matthias","Redetermination of the γ-form of tellurium dioxide","IUCrData","2017","2","12","","","10.1107/S2414314617017576","","","0.71073","MoKα","","0.0326","0.0252","","","0.0358","0.0369","","","","","","1.022","","","","has coordinates,has Fobs","205741","2020-10-21","18:00:00",""
"1548801","6.0506","0.0008","13.7423","0.0018","20.886","0.003","90","","90","","90","","1736.7","0.4","150.15","","150.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Naphthalene-1-carbaldehyde oxime","","- C11 H9 N O -","- C11 H9 N O -","- C88 H72 N8 O8 -","8","2","HB4179","Green, Alexander R.; Owczarzak, Kendall K.; Thomas, Mallory; Olrogg, Garrett M.; Whitver, Ethan; Crescente, Joseph V.; Peters, Joshua; Doud, Cheyann M.; Storm, Mitchell M.; Fink, Kathryn D.; Bilotti, Caroline; Cardenas, Allan Jay","Naphthalene-1-carbaldehyde oxime","IUCrData","2017","2","12","x171720","","10.1107/S2414314617017205","","","0.71073","MoKα","","0.1295","0.0687","","","0.1197","0.1389","","","","","","1.0362","","","","has coordinates","278046","2022-09-21","15:45:40",""
"1548826","10.3211","0.0004","19.696","0.0007","21.463","0.0009","90","","90","","90","","4363.1","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br F3 N3 O3 -","- C21 H17 Br F3 N3 O3 -","- C168 H136 Br8 F24 N24 O24 -","8","2","","Shi, Jun; Gu, Zhengxiang; Jurica, Elizabeth Anne; Wu, Ximao; Haque, Lauren E.; Williams, Kristin N.; Hernandez, Andres S.; Hong, Zhenqiu; Gao, Qi; Dabros, Marta; Davulcu, Akin H.; Mathur, Arvind; Rampulla, Richard A.; Gupta, Arun Kumar; Jayaram, Ramya; Apedo, Atsu; Moore, Douglas B.; Liu, Heng; Kunselman, Lori K.; Brady, Edward J.; Wilkes, Jason J.; Zinker, Bradley A.; Cai, Hong; Shu, Yue-Zhong; Sun, Qin; Dierks, Elizabeth A.; Foster, Kimberly A.; Xu, Carrie; Wang, Tao; Panemangalore, Reshma; Cvijic, Mary Ellen; Xie, Chunshan; Cao, Gary G.; Zhou, Min; Krupinski, John; Whaley, Jean M.; Robl, Jeffrey A.; Ewing, William R.; Ellsworth, Bruce Alan","Discovery of Potent and Orally Bioavailable Dihydropyrazole GPR40 Agonists.","Journal of medicinal chemistry","2018","","","","","10.1021/acs.jmedchem.7b00982","","","1.54178","CuKα","","0.0644","0.0493","","","0.1275","0.1396","","","","","","1.035","","","","has coordinates,has disorder","205806","2020-10-21","18:00:00",""
"1548834","4.668","","9.785","0.0001","41.7773","0.0005","90","","90","","90","","1908.24","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 O7 -","- C18 H34 O7 -","- C72 H136 O28 -","4","1","","Huang, Rong; Jiang, Bo-Guang; Li, Xiao-Nian; Wang, Ya-Ting; Liu, Si-Si; Zheng, Kai-Xuan; He, Jian; Wu, Shao-Hua","Polyoxygenated Cyclohexenoids with Promising α-Glycosidase Inhibitory Activity Produced by Phomopsis sp. YE3250, an Endophytic Fungus Derived from Paeonia delavayi.","Journal of agricultural and food chemistry","2018","","","","","10.1021/acs.jafc.7b04998","","","1.54178","CuKα","","0.028","0.0278","","","0.0742","0.0744","","","","","","1.096","","","","has coordinates","205919","2020-10-21","18:00:00",""
"1548846","14.2835","0.0003","17.9913","0.0004","18.1462","0.0004","90","","90","","90","","4663.19","0.18","120","0.1","120","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 F6 Li2 N8 O15 -","- C36 H54 F6 Li2 N8 O15 -","- C144 H216 F24 Li8 N32 O60 -","4","1","","Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z.","Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes","The Journal of Physical Chemistry C","2018","","","","","10.1021/acs.jpcc.7b11145","","x-ray","0.71073","MoKα","","0.0492","0.0372","","","0.0757","0.0815","","","","","","1.046","","","","has coordinates,has disorder","206065","2020-10-21","18:00:00",""
"1548860","13.9558","0.0003","15.4622","0.0003","30.6296","0.0006","90","","90","","90","","6609.5","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36.34 N O2.17 P -","- C42 H36.34 N O2.17 P -","- C336 H290.72 N8 O17.36 P8 -","8","2","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0359","0.0323","","0.0822","0.0789","0.0822","","","","","","0.9994","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548862","8.332","0.0001","11.3877","0.0002","22.1875","0.0004","90","","90","","90","","2105.2","0.06","150","","150","","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Cl N -","- C24 H30 Cl N -","- C96 H120 Cl4 N4 -","4","1","","Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.","Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.","Chemical science","2018","9","9","2628","2632","10.1039/c7sc05304e","","","1.54184","CuKα","","0.0347","0.0317","","0.0852","0.0796","0.0829","","","","","","1.0093","","","","has coordinates,has disorder","228797","2020-10-21","18:00:00",""
"1548873","9.524","0.0005","17.1108","0.0009","36.4272","0.0016","90","","90","","90","","5936.3","0.5","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H60 Cl6 O4 Rh2 -","- C65 H60 Cl6 O4 Rh2 -","- C260 H240 Cl24 O16 Rh8 -","4","1","","Sun, Y.; Cramer, N.","Tailored trisubstituted chiral Cp <sup> <i>x</i> </sup> Rh<sup>III</sup> catalysts for kinetic resolutions of phosphinic amides.","Chemical science","2018","9","11","2981","2985","10.1039/c7sc05411d","","","1.54184","CuKα","","0.0687","0.0551","","","0.1219","0.1295","","","","","","1.103","","","","has coordinates","228852","2020-10-21","18:00:00",""
"1548881","9.8793","0.0006","14.9748","0.0008","17.3244","0.001","90","","90","","90","","2563","0.3","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 B2 Co F8 N6 -","- C20 H28 B2 Co F8 N6 -","- C80 H112 B8 Co4 F32 N24 -","4","1","","Khosrowabadi Kotyk, Juliet F.; Hanna, Caitlin M.; Combs, Rebecca L.; Ziller, Joseph W.; Yang, Jenny Y.","Intramolecular hydrogen-bonding in a cobalt aqua complex and electrochemical water oxidation activity.","Chemical science","2018","9","10","2750","2755","10.1039/c7sc04960a","","","0.71073","MoKα","","0.027","0.0235","","","0.0552","0.0569","","","","","","1.023","","","","has coordinates","228637","2020-10-21","18:00:00",""
"1548893","10.2919","0.0008","15.7509","0.0009","20.9127","0.0015","90","","90","","90","","3390.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 N4 O8 S -","- C26 H50 N4 O8 S -","- C104 H200 N16 O32 S4 -","4","1","","Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.","From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.","Soft matter","2018","14","12","2357","2364","10.1039/c7sm02495a","","","0.71073","MoKα","","0.1202","0.0457","","","0.1094","0.1417","","","","","","0.986","","","","has coordinates,has disorder","230977","2020-10-21","18:00:00",""
"1548895","9.5629","0.0006","15.744","0.0009","21.1445","0.0013","90","","90","","90","","3183.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N4 O8 S -","- C24 H46 N4 O8 S -","- C96 H184 N16 O32 S4 -","4","1","","Raghava, Saripalli V.; Srivastava, Bhartendu K.; Ramshad, Kalluruttimmal; Antharjanam, Sudhadevi; Varghese, Babu; Muraleedharan, Kannoth M.","From helical supramolecular arrays to gel-forming networks: lattice restructuring and aggregation control in peptide-based sulfamides to integrate new functional attributes.","Soft matter","2018","14","12","2357","2364","10.1039/c7sm02495a","","","0.71073","MoKα","","0.095","0.0484","","","0.1112","0.1355","","","","","","1.053","","","","has coordinates,has disorder","230977","2020-10-21","18:00:00",""
"1548911","8.6233","0.001","12.5838","0.0016","23.552","0.004","90","","90","","90","","2555.7","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl3 N5 O4 Ru -","- C22 H29 Cl3 N5 O4 Ru -","- C88 H116 Cl12 N20 O16 Ru4 -","4","1","","Tse, Chun-Wai; Liu, Yungen; Wai-Shan Chow, Toby; Ma, Chaoqun; Yip, Wing-Ping; Chang, Xiao-Yong; Low, Kam-Hung; Huang, Jie-Sheng; Che, Chi-Ming","<i>cis</i>-Oxoruthenium complexes supported by chiral tetradentate amine (N<sub>4</sub>) ligands for hydrocarbon oxidations.","Chemical science","2018","9","10","2803","2816","10.1039/c7sc05224c","","","1.54178","CuKα","","0.0188","0.0188","","","0.0483","0.0485","","","","","","1.068","","","","has coordinates","228635","2020-10-21","18:00:00",""
"1548933","10.8419","0.0003","11.7415","0.0004","31.5503","0.0009","90","","90","","90","","4016.4","0.2","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Fe3 N30 O3 S6 -","- C18 H30 Fe3 N30 O3 S6 -","- C72 H120 Fe12 N120 O12 S24 -","4","1","","Chen, Wen-Bin; Chen, Yan-Cong; Yang, Meng; Tong, Ming-Liang; Dong, Wen","Water molecule induced reversible single-crystal-to-single-crystal transformation between two trinuclear Fe(ii) complexes with different spin crossover behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4307","4314","10.1039/c8dt00318a","","","0.71073","MoKα","","0.0406","0.0322","","","0.0726","0.0763","","","","","","1.029","","","","has coordinates","230041","2020-10-21","18:00:00",""
"1548934","11.025","0.01","11.863","0.011","32.15","0.03","90","","90","","90","","4205","7","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Fe3 N30 O3 S6 -","- C18 H30 Fe3 N30 O3 S6 -","- C72 H120 Fe12 N120 O12 S24 -","4","1","","Chen, Wen-Bin; Chen, Yan-Cong; Yang, Meng; Tong, Ming-Liang; Dong, Wen","Water molecule induced reversible single-crystal-to-single-crystal transformation between two trinuclear Fe(ii) complexes with different spin crossover behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4307","4314","10.1039/c8dt00318a","","","0.71073","MoKα","","0.0934","0.0494","","","0.0916","0.107","","","","","","0.989","","","","has coordinates","230041","2020-10-21","18:00:00",""
"1548935","10.972","0.004","11.475","0.006","31.878","0.011","90","","90","","90","","4014","3","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Fe3 N30 O S6 -","- C18 H26 Fe3 N30 O S6 -","- C72 H104 Fe12 N120 O4 S24 -","4","1","","Chen, Wen-Bin; Chen, Yan-Cong; Yang, Meng; Tong, Ming-Liang; Dong, Wen","Water molecule induced reversible single-crystal-to-single-crystal transformation between two trinuclear Fe(ii) complexes with different spin crossover behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4307","4314","10.1039/c8dt00318a","","","0.71073","MoKα","","0.0873","0.065","","","0.1262","0.134","","","","","","1.068","","","","has coordinates","230041","2020-10-21","18:00:00",""
"1548936","10.8323","0.0004","11.6921","0.0004","31.5984","0.0011","90","","90","","90","","4002","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Fe3 N30 O3 S6 -","- C18 H30 Fe3 N30 O3 S6 -","- C72 H120 Fe12 N120 O12 S24 -","4","1","","Chen, Wen-Bin; Chen, Yan-Cong; Yang, Meng; Tong, Ming-Liang; Dong, Wen","Water molecule induced reversible single-crystal-to-single-crystal transformation between two trinuclear Fe(ii) complexes with different spin crossover behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4307","4314","10.1039/c8dt00318a","","","0.71073","MoKα","","0.0398","0.0308","","","0.0603","0.0626","","","","","","1.022","","","","has coordinates","230041","2020-10-21","18:00:00",""
"1548937","11.131","0.003","11.508","0.005","32.09","0.009","90","","90","","90","","4111","2","293","2","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Fe3 N30 O S6 -","- C18 H26 Fe3 N30 O S6 -","- C72 H104 Fe12 N120 O4 S24 -","4","1","","Chen, Wen-Bin; Chen, Yan-Cong; Yang, Meng; Tong, Ming-Liang; Dong, Wen","Water molecule induced reversible single-crystal-to-single-crystal transformation between two trinuclear Fe(ii) complexes with different spin crossover behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4307","4314","10.1039/c8dt00318a","","","0.71073","MoKα","","0.0718","0.0475","","","0.0993","0.1073","","","","","","1.019","","","","has coordinates","230041","2020-10-21","18:00:00",""
"1548938","10.799","0.003","11.407","0.005","31.847","0.009","90","","90","","90","","3923","2","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Fe3 N30 O S6 -","- C18 H26 Fe3 N30 O S6 -","- C72 H104 Fe12 N120 O4 S24 -","4","1","","Chen, Wen-Bin; Chen, Yan-Cong; Yang, Meng; Tong, Ming-Liang; Dong, Wen","Water molecule induced reversible single-crystal-to-single-crystal transformation between two trinuclear Fe(ii) complexes with different spin crossover behaviour.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4307","4314","10.1039/c8dt00318a","","","0.71073","MoKα","","0.0524","0.0416","","","0.0925","0.0968","","","","","","1.037","","","","has coordinates","230041","2020-10-21","18:00:00",""
"1548940","9.4164","0.0003","11.6775","0.0004","17.207","0.0006","90","","90","","90","","1892.08","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 Si -","- C22 H23 N O2 Si -","- C88 H92 N4 O8 Si4 -","4","1","","Rodriguez, Kevin X.; Pilato, Tara C.; Ashfeld, Brandon L.","An unusual stereoretentive 1,3-quaternary carbon shift resulting in an enantioselective Rh<sup>II</sup>-catalyzed formal [4+1]-cycloaddition between diazo compounds and vinyl ketenes.","Chemical science","2018","9","12","3221","3226","10.1039/c8sc00020d","","","1.54178","CuKα","","0.0266","0.0266","","","0.0703","0.0703","","","","","","1.103","","","","has coordinates","228864","2020-10-21","18:00:00",""
"1548949","6.0422","0.0012","11.778","0.003","15.448","0.003","90","","90","","90","","1099.4","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F4 O -","- C12 H12 F4 O -","- C48 H48 F16 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0303","0.0295","","","0.0833","0.0841","","","","","","1.056","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548950","5.25889","0.00006","9.75241","0.00011","20.4698","0.0002","90","","90","","90","","1049.83","0.02","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 F2 O -","- C12 H14 F2 O -","- C48 H56 F8 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0264","0.026","","","0.0705","0.0709","","","","","","1.086","","","","has coordinates","228853","2020-10-21","18:00:00",""
"1548953","5.33024","0.00013","9.6528","0.0003","20.0332","0.0007","90","","90","","90","","1030.74","0.05","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 F O -","- C12 H14.8 F O -","- C48 H59.2 F4 O4 -","4","1","","Rodil, Andrea; Bosisio, Stefano; Ayoup, Mohammed Salah; Quinn, Laura; Cordes, David B.; Slawin, Alexandra M. Z.; Murphy, Cormac D.; Michel, Julien; O'Hagan, David","Metabolism and hydrophilicity of the polarised 'Janus face' all-<i>cis</i> tetrafluorocyclohexyl ring, a candidate motif for drug discovery.","Chemical science","2018","9","11","3023","3028","10.1039/c8sc00299a","","","1.54187","CuKα","","0.0509","0.0496","","","0.1485","0.1496","","","","","","1.004","","","","has coordinates,has disorder","228853","2020-10-21","18:00:00",""
"1548995","10.1802","0.0007","20.4136","0.0017","26.689","0.002","90","","90","","90","","5546.4","0.7","100","","100","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N8 Ni -","- C33 H33 N8 Ni -","- C264 H264 N64 Ni8 -","8","2","","Grübel, Michael; Bosque, Irene; Altmann, Philipp J.; Bach, Thorsten; Hess, Corinna R.","Redox and photocatalytic properties of a Ni<sup>II</sup> complex with a macrocyclic biquinazoline (Mabiq) ligand.","Chemical science","2018","9","13","3313","3317","10.1039/c7sc05320g","","x-ray","0.71073","MoKα","","0.041","0.0308","","","0.0692","0.0711","","","","","","0.946","","","","has coordinates","228776","2020-10-21","18:00:00",""
"1549001","7.5535","0.0001","12.2965","0.0001","19.9749","0.0002","90","","90","","90","","1855.3","0.03","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O3 S2 -","- C7 H10 O3 S2 -","- C56 H80 O24 S16 -","8","2","","López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose","Polymer Chemistry","2018","9","13","1577","","10.1039/C8PY00119G","","x-ray","1.54184","CuKα","","0.0254","0.0244","","","0.063","0.0637","","","","","","1.073","","","","has coordinates","230965","2020-10-21","18:00:00",""
"1549002","6.0784","0.0003","9.833","0.0004","17.9994","0.0009","90","","90","","90","","1075.8","0.09","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O5 S -","- C9 H12 O5 S -","- C36 H48 O20 S4 -","4","1","","López-Vidal, Eva M.; Gregory, Georgina L.; Kociok-Köhn, Gabriele; Buchard, Antoine","Polymers from sugars and CS2: synthesis and ring-opening polymerisation of sulfur-containing monomers derived from 2-deoxy-d-ribose and d-xylose","Polymer Chemistry","2018","9","13","1577","","10.1039/C8PY00119G","","x-ray","0.71073","MoKα","","0.0514","0.0422","","","0.0792","0.0833","","","","","","1.031","","","","has coordinates","230965","2020-10-21","18:00:00",""
"1549028","7.5979","0.0005","14.0001","0.001","19.629","0.0012","90","","90","","90","","2088","0.2","170.8","","170.8","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Br2 O2 -","- C23 H26 Br2 O2 -","- C92 H104 Br8 O8 -","4","1","","Chang, Shirui; Wang, Lei; Lin, Xufeng","Synthesis and application of a new hexamethyl-1,1'-spirobiindane-based chiral bisphosphine (HMSI-PHOS) ligand in asymmetric allylic alkylation.","Organic & biomolecular chemistry","2018","16","13","2239","2247","10.1039/c8ob00279g","","","0.71073","MoKα","","0.0443","0.0354","","","0.0781","0.0832","","","","","","1.017","","","","has coordinates","230785","2020-10-21","18:00:00",""
"1549043","9.49835","0.00014","11.89113","0.00017","22.8675","0.0003","90","","90","","90","","2582.8","0.06","160","","160","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 B N2 O -","- C31 H35 B N2 O -","- C124 H140 B4 N8 O4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.5418","CuKα","","0.0281","0.0272","","0.0713","0.0703","0.0713","","","","","","0.992","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549056","7.32726","0.00012","18.9411","0.0003","25.6662","0.0005","90","","90","","90","","3562.12","0.11","160","0.1","160","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 I N O -","- C10 H16 I N O -","- C120 H192 I12 N12 O12 -","12","3","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","0.71073","MoKα","","0.0258","0.0225","","","0.0472","0.048","","","","","","1.067","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549058","6.09862","0.00006","7.52704","0.00009","27.3811","0.0003","90","","90","","90","","1256.92","0.02","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O S -","- C11 H16 N2 O S -","- C44 H64 N8 O4 S4 -","4","1","","Nievergelt, Philipp P.; Babor, Martin; Čejka, Jan; Spingler, Bernhard","A high throughput screening method for the nano-crystallization of salts of organic cations.","Chemical science","2018","9","15","3716","3722","10.1039/c8sc00783g","","","1.54184","CuKα","","0.0267","0.0258","","","0.0672","0.0676","","","","","","1.048","","","","has coordinates","228818","2020-10-21","18:00:00",""
"1549070","6.2081","0.0003","19.8715","0.0011","20.2149","0.0011","90","","90","","90","","2493.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O5 -","- C30 H38 O5 -","- C120 H152 O20 -","4","1","","Chen, He-Ping; Zhao, Zhen-Zhu; Li, Zheng-Hui; Huang, Ying; Zhang, Shuai-Bing; Tang, Yang; Yao, Jian-Neng; Chen, Lin; Isaka, Masahiko; Feng, Tao; Liu, Ji-Kai","Antiproliferative and Anti-inflammatory Lanostane Triterpenoids from the Polish Edible Mushroom Macrolepiota procera.","Journal of agricultural and food chemistry","2018","","","","","10.1021/acs.jafc.8b00287","","","1.54178","CuKα","","0.0547","0.0493","","","0.1274","0.1319","","","","","","1.061","","","","has coordinates","206962","2020-10-21","18:00:00",""
"1549133","6.6287","0.0003","16.4246","0.0008","21.5858","0.0011","90","","90","","90","","2350.1","0.2","193","2","193","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Au F6 N O Sb -","- C23 H23 Au F6 N O Sb -","- C92 H92 Au4 F24 N4 O4 Sb4 -","4","1","","Serra, Jordi; Font, Pau; Sosa Carrizo, E. Daiann; Mallet-Ladeira, Sonia; Massou, Stéphane; Parella, Teodor; Miqueu, Karinne; Amgoune, Abderrahmane; Ribas, Xavi; Bourissou, Didier","Cyclometalated gold(iii) complexes: noticeable differences between (N,C) and (P,C) ligands in migratory insertion.","Chemical science","2018","9","16","3932","3940","10.1039/c7sc04899h","","","0.71073","MoKα","","0.0315","0.0262","","","0.0451","0.0466","","","","","","0.999","","","","has coordinates,has disorder","228749","2020-10-21","18:00:00",""
"1549156","8.0494","0.0007","15.8108","0.0012","20.486","0.002","90","","90","","90","","2607.2","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 B10 N -","- C25 H35 B10 N -","- C100 H140 B40 N4 -","4","1","","Zhang, Xiaolei; Yan, Hong","Pd(ii)-catalyzed synthesis of bifunctionalized carboranes <i>via</i> cage B-H activation of 1-CH<sub>2</sub>NH<sub>2</sub>-<i>o</i>-carboranes.","Chemical science","2018","9","16","3964","3969","10.1039/c8sc01154k","","","0.71073","MoKα","","0.1101","0.062","","","0.1271","0.1429","","","","","","0.953","","","","has coordinates","228748","2020-10-21","18:00:00",""
"1549242","8.6949","0.0006","13.9549","0.0009","19.9508","0.0015","90","","90","","90","","2420.8","0.3","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 F3 Mn O6 P2 S -","- C18 H32 F3 Mn O6 P2 S -","- C72 H128 F12 Mn4 O24 P8 S4 -","4","1","","Garduño, Jorge A.; Arévalo, Alma; Flores-Alamo, Marcos; García, Juventino J.","Mn(i) organometallics containing the iPr2P(CH2)2PiPr2 ligand for the catalytic hydration of aromatic nitriles","Catalysis Science & Technology","2018","8","10","2606","","10.1039/C8CY00416A","","","0.71073","MoKα","","0.1202","0.0766","","","0.1661","0.197","","","","","","1.054","","","","has coordinates,has disorder","227956","2020-10-21","18:00:00",""
"1549249","10.654","0.003","23.151","0.006","25.363","0.007","90","","90","","90","","6256","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C65 H69 Cl3 N12 -","- C65 H69 Cl3 N12 -","- C260 H276 Cl12 N48 -","4","1","","McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew","Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage","Faraday Discussions","2018","","","","","10.1039/C8FD00031J","","x-ray","0.7749","synchrotron","","0.1079","0.0654","","","0.1399","0.1596","","","","","","1.005","","","","has coordinates,has disorder","207358","2020-10-21","18:00:00",""
"1549273","10.5101","0.0004","20.6596","0.0009","22.4637","0.0008","90","","90","","90","","4877.6","0.3","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 Cl4 Cu2 O4 P4 -","- C45 H58 Cl4 Cu2 O4 P4 -","- C180 H232 Cl16 Cu8 O16 P16 -","4","1","","Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H.","Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution.","Chemical science","2018","9","19","4505","4510","10.1039/c8sc00434j","","","1.54184","CuKα","","0.0343","0.0315","","","0.0802","0.0816","","","","","","1.037","","","","has coordinates","228742","2020-10-21","18:00:00",""
"1549274","13.69","0.0007","16.8264","0.0008","30.4315","0.0014","90","","90","","90","","7010","0.6","100","2","99.99","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H92 Cl2 Cu2 N4 O4 P4 -","- C64 H92 Cl2 Cu2 N4 O4 P4 -","- C256 H368 Cl8 Cu8 N16 O16 P16 -","4","1","","Zatolochnaya, Olga V.; Rodríguez, Sonia; Zhang, Yongda; Lao, Kendricks S.; Tcyrulnikov, Sergei; Li, Guisheng; Wang, Xiao-Jun; Qu, Bo; Biswas, Soumik; Mangunuru, Hari P. R.; Rivalti, Daniel; Sieber, Joshua D.; Desrosiers, Jean-Nicolas; Leung, Joyce C.; Grinberg, Nelu; Lee, Heewon; Haddad, Nizar; Yee, Nathan K.; Song, Jinhua J.; Kozlowski, Marisa C.; Senanayake, Chris H.","Copper-catalyzed asymmetric hydrogenation of 2-substituted ketones <i>via</i> dynamic kinetic resolution.","Chemical science","2018","9","19","4505","4510","10.1039/c8sc00434j","","","1.54184","CuKα","","0.0407","0.035","","","0.1064","0.1105","","","","","","1.06","","","","has coordinates","228742","2020-10-21","18:00:00",""
"1549288","8.3475","0.00016","10.314","0.0002","21.0732","0.0004","90","","90","","90","","1814.32","0.06","100","0.1","100","0.1","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 -","- C28 H20 -","- C112 H80 -","4","1","","Cai, Yuanjing; Du, Lili; Samedov, Kerim; Gu, Xinggui; Qi, Fei; Sung, Herman H. Y.; Patrick, Brian O.; Yan, Zhiping; Jiang, Xiaofang; Zhang, Haoke; Lam, Jacky W. Y.; Williams, Ian D.; Lee Phillips, David; Qin, Anjun; Tang, Ben Zhong","Deciphering the working mechanism of aggregation-induced emission of tetraphenylethylene derivatives by ultrafast spectroscopy.","Chemical science","2018","9","20","4662","4670","10.1039/c8sc01170b","","x-ray","1.54184","CuKα","","0.0326","0.0285","","","0.069","0.0713","","","","","","1.003","","","","has coordinates","228763","2020-10-21","18:00:00",""
"1549317","12.8768","0.0003","17.6754","0.0004","22.1097","0.0005","90","","90","","90","","5032.2","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-lithium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C46 H38 B F24 Li O9 -","- C46 H38 B F24 Li O9 -","- C184 H152 B4 F96 Li4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics.","Chemical science","2018","9","21","4785","4793","10.1039/c8sc01750f","","","0.71073","MoKα","","0.057","0.0411","","","0.085","0.0929","","","","","","1.038","","","","has coordinates,has disorder","228832","2020-10-21","18:00:00",""
"1549355","9.4301","0.0005","9.4561","0.0005","24.8572","0.0012","90","","90","","90","","2216.6","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran","","- C28 H20 Br2 O -","- C28 H20 Br2 O -","- C112 H80 Br8 O4 -","4","1","SJ4159","Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin","3,4-Dibromo-2,2,5,5-tetraphenyl-2,5-dihydrofuran","IUCrData","2018","3","4","x180416","","10.1107/S2414314618004169","","","0.71073","MoKα","","0.0267","0.0221","","","0.0458","0.0473","","","","","","1.059","","","","has coordinates,has Fobs","207586","2020-10-21","18:00:00",""
"1549400","9.5994","0.0004","14.7775","0.0006","19.9833","0.001","90","","90","","90","","2834.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 N2 O3 S -","- C33 H32 N2 O3 S -","- C132 H128 N8 O12 S4 -","4","1","","Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min","Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.","Chemical science","2018","9","22","5074","5081","10.1039/c8sc01595c","","","0.71073","MoKα","","0.0781","0.0498","","","0.1071","0.1246","","","","","","1.045","","","","has coordinates","228650","2020-10-21","18:00:00",""
"1549416","8.4831","0.0001","8.7906","0.0001","17.8568","0.0002","90","","90","","90","","1331.61","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 B F4 N -","- C13 H18 B F4 N -","- C52 H72 B4 F16 N4 -","4","1","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0315","0.0306","","","0.0813","0.082","","","","","","1.1","","","","has coordinates","228825","2020-10-21","18:00:00",""
"1549418","10.8597","0.0001","11.1368","0.0001","19.408","0.0002","90","","90","","90","","2347.25","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 B F4 N -","- C11 H14 B F4 N -","- C88 H112 B8 F32 N8 -","8","2","","Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.","Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).","Chemical science","2018","9","23","5191","5196","10.1039/c8sc01486h","","x-ray","1.54184","CuKα","","0.0318","0.0304","","","0.0743","0.0753","","","","","","1.042","","","","has coordinates","228825","2020-10-21","18:00:00",""
"1549456","13.7644","0.0001","24.8987","0.0002","35.6022","0.0002","90","","90","","90","","12201.4","0.15","173.01","0.1","173.01","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C132 H112 Au6 B2 F8 N2 O P6 -","- C132 H112 Au6 B2 F8 N2 O P6 -","- C528 H448 Au24 B8 F32 N8 O4 P24 -","4","1","","Guo, Ping; Yang, Biao; Zhang, Li; Zhao, Liang","Temperature dependent chiroptical response of sigmoidal gold clusters: probing the stability of chiral metal clusters.","Chemical science","2018","9","25","5614","5622","10.1039/c8sc00344k","","","1.54184","CuKα","","0.0629","0.0617","","","0.1598","0.1607","","","","","","1.064","","","","has coordinates,has disorder","228758","2020-10-21","18:00:00",""
"1549464","10.3761","0.0013","10.82","0.0014","10.8988","0.0014","90","","90","","90","","1223.6","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Salvati, Anna E.; Law, James A.; Liriano, Josue; Frederich, James H.","Modular access to functionalized 5-8-5 fused ring systems <i>via</i> a photoinduced cycloisomerization reaction.","Chemical science","2018","9","24","5389","5393","10.1039/c8sc00999f","","","0.71073","MoKα","","0.0369","0.0329","","","0.0802","0.0827","","","","","","1.035","","","","has coordinates","228632","2020-10-21","18:00:00",""
"1549504","11.1043","0.0003","17.4254","0.0004","19.3342","0.0004","90","","90","","90","","3741.11","0.15","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 N7 O5 Zn -","- C36 H51 N7 O5 Zn -","- C144 H204 N28 O20 Zn4 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0273","0.0244","","","0.0579","0.0588","","","","","","1.072","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549505","11.0981","0.0003","17.442","0.0004","19.3054","0.0004","90","","90","","90","","3737.01","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 Fe N7 O5 -","- C36 H51 Fe N7 O5 -","- C144 H204 Fe4 N28 O20 -","4","1","","Surendhran, Roshaan; D'Arpino, Alexander A; Sciscent, Bao Y.; Cannella, Anthony F.; Friedman, Alan E.; MacMillan, Samantha N.; Gupta, Rupal; Lacy, David C.","Deciphering the mechanism of O<sub>2</sub> reduction with electronically tunable non-heme iron enzyme model complexes.","Chemical science","2018","9","26","5773","5780","10.1039/c8sc01621f","","x-ray","0.71073","MoKα","","0.0263","0.0248","","","0.0592","0.06","","","","","","1.042","","","","has coordinates","228708","2020-10-21","18:00:00",""
"1549538","10.0308","0.0012","12.6903","0.0016","19.943","0.002","90","","90","","90","","2538.6","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 B Br N O6 -","- C23 H33 B Br N O6 -","- C92 H132 B4 Br4 N4 O24 -","4","1","","Chen, Lili; Shen, Jun-Jian; Gao, Qian; Xu, Senmiao","Synthesis of cyclic chiral α-amino boronates by copper-catalyzed asymmetric dearomative borylation of indoles.","Chemical science","2018","9","26","5855","5859","10.1039/c8sc01815d","","","0.71073","MoKα","","0.0506","0.0408","","","0.104","0.1091","","","","","","1.001","","","","has coordinates","228705","2020-10-21","18:00:00",""
"1549545","4.9869","0.0002","11.7644","0.0005","22.1329","0.0008","90","","90","","90","","1298.49","0.09","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O5 S -","- C13 H13 N O5 S -","- C52 H52 N4 O20 S4 -","4","1","","Aujard-Catot, Julien; Nguyen, Michel; Bijani, Christian; Pratviel, Geneviève; Bonduelle, Colin","Cd2+ coordination: an efficient structuring switch for polypeptide polymers","Polymer Chemistry","2018","9","30","4100","","10.1039/C8PY00810H","","x-ray","0.71073","MoKα","","0.028","0.0248","","","0.0683","0.0696","","","","","","1.128","","","","has coordinates","230968","2020-10-21","18:00:00",""
"1549555","9.1363","0.0001","13.549","0.0001","15.3864","0.0002","90","","90","","90","","1904.65","0.04","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F3 N O3 S -","- C19 H22 F3 N O3 S -","- C76 H88 F12 N4 O12 S4 -","4","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","","1.54184","CuKα","","0.0453","0.0442","","","0.1242","0.1257","","","","","","1.054","","","","has coordinates","228709","2020-10-21","18:00:00",""
"1549557","8.0524","0.0006","10.279","0.0006","21.1646","0.0013","90","","90","","90","","1751.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F3 N O3 S -","- C17 H18 F3 N O3 S -","- C68 H72 F12 N4 O12 S4 -","4","1","","Pan, Chongqing; Guo, Wenjing; Gu, Zhenhua","Unusual biaryl torsional strain promotes reactivity in Cu-catalyzed Sommelet-Hauser rearrangement.","Chemical science","2018","9","26","5850","5854","10.1039/c8sc01657g","","x-ray","0.71073","MoKα","","0.0594","0.0468","","","0.0924","0.0982","","","","","","1.044","","","","has coordinates","228709","2020-10-21","18:00:00",""
"1549560","3.8763","0.0005","12.0424","0.0019","26.146","0.004","90","","90","","90","","1220.5","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Cl O3 -","- C16 H9 Cl O3 -","- C64 H36 Cl4 O12 -","4","1","","Kita, Yuji; Yata, Tetsuji; Nishimoto, Yoshihiro; Chiba, Kouji; Yasuda, Makoto","Selective oxymetalation of terminal alkynes <i>via</i> 6-<i>endo</i> cyclization: mechanistic investigation and application to the efficient synthesis of 4-substituted isocoumarins.","Chemical science","2018","9","28","6041","6052","10.1039/c8sc01537f","","","0.71075","MoKα","","","0.0661","","","","0.1165","","","","","","0.99","","","","has coordinates","228627","2020-10-21","18:00:00",""
"1549576","7.4539","0.0005","7.8553","0.0005","17.2286","0.001","90","","90","","90","","1008.78","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Hexacyclo[6.5.1.0^1,5^.0^5,12^.0^7,11^.0^9,13^]tetradecane-4,6,14-trione","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","BT4070","Kotha, Sambasivarao; Cheekatla, Subba Rao; Gunta, Rama","Hexacyclo[6.5.1.0^1,5^.0^5,12^.0^7,11^.0^9,13^]tetradecane-4,6,14-trione","IUCrData","2018","3","6","x180852","","10.1107/S2414314618008520","","","0.71073","MoKα","","0.052","0.0419","","","0.0907","0.0969","","","","","","1.066","","","","has coordinates","208534","2020-10-21","18:00:00",""
"1549593","11.4778","0.0015","13.6448","0.0018","36.849","0.005","90","","90","","90","","5771","1.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-3,3'-Di([1,1':3',1''-terphenyl]-5'-yl)-5,5',6,6',7,7',8,8'-octahydro-[1,1'-binaphthalene]-2,2'-diyl bis(dihydrogen phosphate) pyridinium salt","","","- C67 H60 Cl2 N2 O8 P2 -","- C67 H60 Cl2 N2 O8 P2 -","- C268 H240 Cl8 N8 O32 P8 -","4","1","","Hatano, Manabu; Okamoto, Haruka; Kawakami, Taro; Toh, Kohei; Nakatsuji, Hidefumi; Sakakura, Akira; Ishihara, Kazuaki","Enantioselective aza-Friedel-Crafts reaction of furan with α-ketimino esters induced by a conjugated double hydrogen bond network of chiral bis(phosphoric acid) catalysts.","Chemical science","2018","9","30","6361","6367","10.1039/c8sc02290a","","","0.71075","MoKα","","0.0494","0.0374","","","0.0884","0.0944","","","","","","1.017","","","","has coordinates","228805","2020-10-21","18:00:00",""
"1549619","6.8489","0.0002","15.7645","0.0005","19.4642","0.0005","90","","90","","90","","2101.54","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 I N2 O3 -","- C24 H23 I N2 O3 -","- C96 H92 I4 N8 O12 -","4","1","","Meazza, Marta; Kamlar, Martin; Jašíková, Lucie; Formánek, Bedřich; Mazzanti, Andrea; Roithová, Jana; Veselý, Jan; Rios, Ramon","Synergistic formal ring contraction for the enantioselective synthesis of spiropyrazolones.","Chemical science","2018","9","30","6368","6373","10.1039/c8sc00913a","","","0.71073","MoKα","","0.0313","0.027","","","0.0602","0.0617","","","","","","1.035","","","","has coordinates","228806","2020-10-21","18:00:00",""
"1549620","19.1685","0.0005","5.7871","0.0003","14.8903","0.0003","90","","90","","90","","1651.78","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O5 S -","- C18 H19 N O5 S -","- C72 H76 N4 O20 S4 -","4","1","","Li, Wei; Wollenburg, Marco; Glorius, Frank","Enantioselective synthesis of 2-oxazolidinones by ruthenium(ii)-NHC-catalysed asymmetric hydrogenation of 2-oxazolones.","Chemical science","2018","9","29","6260","6263","10.1039/c8sc01869c","","","0.71073","MoKα","","0.0515","0.0445","","","0.0873","0.0915","","","","","","1.091","","","","has coordinates","228623","2020-10-21","18:00:00",""
"1549640","10.118","0.001","14.0353","0.0014","28.194","0.003","90","","90","","90","","4003.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 Br N O3 -","- C49 H48 Br N O3 -","- C196 H192 Br4 N4 O12 -","4","1","","Santra, Surojit; Porey, Arka; Jana, Barun; Guin, Joyram","N-Heterocyclic carbenes as chiral Brønsted base catalysts: a highly diastereo- and enantioselective 1,6-addition reaction.","Chemical science","2018","9","30","6446","6450","10.1039/c8sc02138d","","","0.71073","MoKα","","0.0714","0.0537","","","0.1295","0.1392","","","","","","1.04","","","","has coordinates","228804","2020-10-21","18:00:00",""
"1549649","18.2449","0.0013","23.218","0.0015","23.3841","0.0017","90","","90","","90","","9905.7","1.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H120 Cu12 N6 O8 S13 -","- C70 H120 Cu12 N6 O8 S13 -","- C280 H480 Cu48 N24 O32 S52 -","4","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.1096","0.0717","","","0.182","0.2124","","","","","","1.069","","","","has coordinates,has disorder","228681","2020-10-21","18:00:00",""
"1549654","19.1023","0.0009","23.8001","0.0011","24.5421","0.0012","90","","90","","90","","11157.7","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C74 H128 Cu12 N6 O8 S13 -","- C74 H128 Cu12 N6 O8 S13 -","- C296 H512 Cu48 N24 O32 S52 -","4","1","","Chakrahari, Kiran Kumarvarma; Silalahi, Rhone P Brocha; Liao, Jian-Hong; Kahlal, Samia; Liu, Yu-Chiao; Lee, Jyh-Fu; Chiang, Ming-Hsi; Saillard, Jean-Yves; Liu, C. W.","Synthesis and structural characterization of inverse-coordination clusters from a two-electron superatomic copper nanocluster.","Chemical science","2018","9","33","6785","6795","10.1039/c8sc01508b","","","0.71073","MoKα","","0.0592","0.049","","","0.1406","0.15","","","","","","1.043","","","","has coordinates","228681","2020-10-21","18:00:00",""
"1549682","13.2969","0.0004","22.3943","0.0005","25.1034","0.0006","90","","90","","90","","7475.2","0.3","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cl9 N7 O8 -","- C72 H72 Cl9 N7 O8 -","- C288 H288 Cl36 N28 O32 -","4","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","","1.54178","CuKα","","0.0733","0.062","","","0.1603","0.1709","","","","","","1.033","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549685","22.0413","0.0003","23.2593","0.0004","25.4959","0.0005","90","","90","","90","","13070.9","0.4","150.02","0.1","150.02","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70.79 H77.17 N7 O10.4 -","- C70.7915 H77.375 N7 O10.396 -","- C566.332 H619 N56 O83.168 -","8","2","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0734","0.0608","","","0.1617","0.1757","","","","","","1.015","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549686","10.5967","0.0004","21.5835","0.0008","28.6986","0.0006","90","","90","","90","","6563.8","0.4","150.06","0.1","150.06","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70.57 H83.27 N7 O9.57 -","- C70.568 H83.272 N7 O9.568 -","- C282.272 H333.088 N28 O38.272 -","4","1","","Lister, Francis G. A.; Eccles, Natasha; Pike, Sarah J.; Brown, Robert A.; Whitehead, George F. S.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Bis-pyrene probes of foldamer conformation in solution and in phospholipid bilayers.","Chemical science","2018","9","33","6860","6870","10.1039/c8sc02532k","","x-ray","1.54184","CuKα","","0.0806","0.0687","","","0.1928","0.2035","","","","","","1.061","","","","has coordinates,has disorder","228682","2020-10-21","18:00:00",""
"1549721","4.6852","0.0001","17.5786","0.0005","18.8573","0.0005","90","","90","","90","","1553.07","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-[2-(4-oxo-4<i>H</i>-chromen-2-yl)phenoxy]acetate","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","SU4166","Goyal, Navneet; Do, Camilla; Donahue, James P.; Mague, Joel T.; Foroozesh, Maryam","Ethyl 2-[2-(4-oxo-4<i>H</i>-chromen-2-yl)phenoxy]acetate","IUCrData","2018","3","7","x180993","","10.1107/S2414314618009938","","","1.54178","CuKα","","0.0392","0.0352","","","0.0848","0.0888","","","","","","1.084","","","","has coordinates,has Fobs","209239","2020-10-21","18:00:00",""
"1549741","10.7394","0.0011","10.7693","0.001","12.2067","0.0012","90","","90","","90","","1411.8","0.2","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(η8-cyclooctatetraenyl)-bis(acetonitrile)-erbium-iodide","","- C12 H14 Er I N2 -","- C12 H14 Er I N2 -","- C48 H56 Er4 I4 N8 -","4","1","","Hilgar, J. D.; Bernbeck, M. G.; Flores, B. S.; Rinehart, J. D.","Metal-ligand pair anisotropy in a series of mononuclear Er-COT complexes.","Chemical science","2018","9","36","7204","7209","10.1039/c8sc01361f","","","0.71073","MoKα","","0.0261","0.0223","","","0.0368","0.0378","","","","","","0.945","","","","has coordinates","228837","2020-10-21","18:00:00",""
"1549848","8.3737","0.0003","10.0127","0.0004","24.658","0.0008","90","","90","","90","","2067.41","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O4 -","- C23 H22 Br N O4 -","- C92 H88 Br4 N4 O16 -","4","1","","Liu, Yang; Liu, Xiangyuan; Li, Jiangtao; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Catalytic enantioselective radical coupling of activated ketones with <i>N</i>-aryl glycines.","Chemical science","2018","9","42","8094","8098","10.1039/c8sc02948b","","x-ray","1.54184","CuKα","","0.0453","0.039","","","0.0989","0.1055","","","","","","1.044","","","","has coordinates","228696","2020-10-21","18:00:00",""
"1549869","7.9093","0.0002","13.3712","0.0004","25.3669","0.0007","90","","90","","90","","2682.72","0.13","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>S</i>)-2-Azaniumyl-4-[(1<i>S</i>,4a<i>S</i>,4b<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>,10a<i>S</i>)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-3-methoxybutanoate‒methanol‒water (1/1/1)","","- C25 H47 N O7 -","- C25 H47 N O7 -","- C100 H188 N4 O28 -","4","1","HB4254","Eitel, Michael; Schollmeyer, Dieter; Gross, Harald; Koch, Pierre","(2<i>S</i>,3<i>S</i>)-2-Azaniumyl-4-[(1<i>S</i>,4a<i>S</i>,4b<i>S</i>,6<i>S</i>,7<i>S</i>,8a<i>S</i>,10a<i>S</i>)-6,7-dihydroxy-2,4b,8,8,10a-pentamethyl-1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]-3-methoxybutanoate‒methanol‒water (1/1/1)","IUCrData","2018","3","8","x181194","","10.1107/S241431461801194X","","","0.71073","MoKα","","0.069","0.0487","","","0.0887","0.0984","","","","","","1.07","","","","has coordinates,has Fobs","210292","2020-10-21","18:00:00",""
"1549906","7.652","0.009","14.111","0.019","15.379","0.019","90","","90","","90","","1661","4","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6aF-Me2","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Kawada, Yuiki; Ohmura, Shunsuke; Kobayashi, Misaki; Nojo, Wataru; Kondo, Masaki; Matsuda, Yuka; Matsuoka, Junpei; Inuki, Shinsuke; Oishi, Shinya; Wang, Chao; Saito, Tatsuo; Uchiyama, Masanobu; Suzuki, Takanori; Ohno, Hiroaki","Direct synthesis of aryl-annulated [<i>c</i>]carbazoles by gold(i)-catalysed cascade reaction of azide-diynes and arenes.","Chemical science","2018","9","44","8416","8425","10.1039/c8sc03525c","","","0.71075","MoKα","","","0.0496","","","","0.1245","","","","","","0.966","","","","has coordinates","228657","2020-10-21","18:00:00",""
"1549919","7.8612","0.0003","9.8518","0.0005","27.1605","0.0014","90","","90","","90","","2103.5","0.17","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 N4 O S -","- C23 H16 N4 O S -","- C92 H64 N16 O4 S4 -","4","1","","Wang, Chunfei; Cheng, Xiaoxiang; Tan, Jingyun; Ding, Zhaoyang; Wang, Wenjing; Yuan, Daqiang; Li, Gang; Zhang, Hongjie; Zhang, Xuanjun","Reductive cleavage of C[double bond, length as m-dash]C bonds as a new strategy for turn-on dual fluorescence in effective sensing of H<sub>2</sub>S.","Chemical science","2018","9","44","8369","8374","10.1039/c8sc03430c","","","1.54178","CuKα","","0.0615","0.0548","","","0.1558","0.1638","","","","","","1.092","","","","has coordinates","228654","2020-10-21","18:00:00",""
"1549953","10.9035","0.0003","11.9862","0.0004","12.6785","0.0005","90","","90","","90","","1656.97","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Au Cl Sb -","- C18 H15 Au Cl Sb -","- C72 H60 Au4 Cl4 Sb4 -","4","1","","Li, Ying-Zhou; Ganguly, Rakesh; Hong, Kar Yiu; Li, Yongxin; Tessensohn, Malcolm Eugene; Webster, Richard; Leong, Weng Kee","Stibine-protected Au<sub>13</sub> nanoclusters: syntheses, properties and facile conversion to GSH-protected Au<sub>25</sub> nanocluster.","Chemical science","2018","9","46","8723","8730","10.1039/c8sc03132k","","","0.71073","MoKα","","0.0679","0.0419","","","0.0637","0.0736","","","","","","0.899","","","","has coordinates","228752","2020-10-21","18:00:00",""
"1549963","11.0105","0.0003","11.0264","0.0002","15.8268","0.0003","90","","90","","90","","1921.47","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl N3 O3 -","- C23 H16 Cl N3 O3 -","- C92 H64 Cl4 N12 O12 -","4","1","","Chen, Qiao; Zhu, Tingshun; Majhi, Pankaj Kumar; Mou, Chengli; Chai, Huifang; Zhang, Jingjie; Zhuo, Shitian; Chi, Yonggui Robin","Carbene-catalyzed enantioselective oxidative coupling of enals and di(hetero)arylmethanes.","Chemical science","2018","9","46","8711","8715","10.1039/c8sc03480j","","","0.71073","MoKα","","0.0534","0.0424","","","0.0794","0.0839","","","","","","1.072","","","","has coordinates","228754","2020-10-21","18:00:00",""
"1550031","8.8209","0.0001","19.6496","0.0002","20.2318","0.0001","90","","90","","90","","3506.72","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N2 O -","- C17 H28 N2 O -","- C136 H224 N16 O8 -","8","2","","Peveler, William J.; Packman, Hollie; Alexander, Shirin; Chauhan, Raamanand R.; Hayes, Lilian M.; Macdonald, Thomas J.; Cockcroft, Jeremy K.; Rogers, Sarah; Aarts, Dirk G. A. L.; Carmalt, Claire J.; Parkin, Ivan P.; Bear, Joseph C.","A new family of urea-based low molecular-weight organogelators for environmental remediation: the influence of structure.","Soft matter","2018","14","43","8821","8827","10.1039/c8sm01682h","","x-ray","1.54184","CuKα","","0.0576","0.0543","","","0.1549","0.1601","","","","","","1.033","","","","has coordinates,has disorder","230975","2020-10-21","18:00:00",""
"1550038","8.9101","0.0003","9.4553","0.0003","14.4099","0.0004","90","","90","","90","","1214","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 F N O3 -","- C12 H14 F N O3 -","- C48 H56 F4 N4 O12 -","4","1","","Guan, Yu-Qing; Han, Zhengyu; Li, Xiuxiu; You, Cai; Tan, Xuefeng; Lv, Hui; Zhang, Xumu","A cheap metal for a challenging task: nickel-catalyzed highly diastereo- and enantioselective hydrogenation of tetrasubstituted fluorinated enamides","Chemical Science","2018","","","","","10.1039/C8SC04002H","","","1.54178","CuKα","","0.0337","0.0336","","","0.0873","0.0874","","","","","","1.089","","","","has coordinates","211476","2020-10-21","18:00:00",""
"1550092","9.9209","0.0004","9.9803","0.0004","11.1024","0.0004","90","","90","","90","","1099.29","0.07","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-Fluorophenyl)tricyclo[3.3.1.0^2,8^]nona-3,6-dien-9-one","","- C15 H11 F O -","- C15 H11 F O -","- C60 H44 F4 O4 -","4","1","","Bismillah, Aisha N.; Sturala, Jiri; Chapin, Brette M.; Yufit, Dmitry S.; Hodgkinson, Paul; McGonigal, Paul R.","Shape-selective crystallisation of fluxional carbon cages.","Chemical science","2018","9","46","8631","8636","10.1039/c8sc04303e","","x-ray","0.71073","MoKα","","0.0436","0.0345","","","0.079","0.0824","","","","","","1.048","","","","has coordinates","228755","2020-10-21","18:00:00",""
"1550131","5.5263","0.0001","7.588","0.0002","31.5641","0.0006","90","","90","","90","","1323.6","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Condakes, Matthew; Rosen, Rachel; Harwood, Stephen; Maimone, Thomas","A Copper-Catalyzed Double Coupling Enables a 3-Step Synthesis of the Quassinoid Core Architecture","Chemical Science","2019","","","","","10.1039/C8SC03835J","","x-ray","1.54184","CuKα","","0.0334","0.033","","","0.0866","0.0869","","","","","","1.069","","","","has coordinates","211694","2020-10-21","18:00:00",""
"1550147","6.113","0.0005","7.3809","0.0006","55.524","0.005","90","","90","","90","","2505.2","0.4","100","","100.03","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(3-benzoylphenyl)-propionic acid","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","","Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof","Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen","IUCrJ","2018","5","6","","","10.1107/S2052252518013222","","x-ray","0.71073","MoKα","","0.1113","0.0612","","","0.1396","0.1604","","","","","","1.073","","","","has coordinates","211703","2020-10-21","18:00:00",""
"1550148","6.113","0.0005","7.3809","0.0006","55.524","0.005","90","","90","","90","","2505.2","0.4","100","","100.03","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ketoprophen","2-(3-benzoylphenyl)-propionic acid","","- C16 H14 O3 -","- C16 H14 O3 -","- C128 H112 O24 -","8","2","","Pawledzio, Sylwia; Makal, Anna; Trzybiński, Damian; Woźniak, Krzysztof","Crystal structure, interaction energies and experimental electron density of the popular drug ketoprophen","IUCrJ","2018","5","6","","","10.1107/S2052252518013222","","x-ray","0.71073","MoKα","","0.094","0.038","","","","0.098","0.047","","","","","1.444","","","","has coordinates","211703","2020-10-21","18:00:00",""
"1550165","7.70304","0.00011","11.49824","0.00016","26.9058","0.0004","90","","90","","90","","2383.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Ir O2 Si -","- C25 H39 Ir O2 Si -","- C100 H156 Ir4 O8 Si4 -","4","1","","Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.","Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis","Chemical Science","2019","","","","","10.1039/C8SC04385J","","x-ray","0.71073","MoKα","","0.0223","0.0205","","","0.0366","0.0374","","","","","","1.042","","","","has coordinates","211729","2020-10-21","18:00:00",""
"1550167","7.53335","0.00013","10.27117","0.00014","22.6089","0.0003","90","","90","","90","","1749.39","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O2 Si -","- C17 H28 O2 Si -","- C68 H112 O8 Si4 -","4","1","","Cramer, Nicolai; Audic, Benoit; Wodrich, Matthew D.","Mild complexation protocol for chiral CpxRh and Ir complexes suitable for in situ catalysis","Chemical Science","2019","","","","","10.1039/C8SC04385J","","x-ray","1.54184","CuKα","","0.0225","0.0223","","","0.0567","0.0569","","","","","","1.058","","","","has coordinates","211729","2020-10-21","18:00:00",""
"1550201","10.299","0.001","15.4938","0.0016","17.3672","0.0017","90","","90","","90","","2771.3","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N Sc Si2 -","- C27 H36 N Sc Si2 -","- C108 H144 N4 Sc4 Si8 -","4","1","","Liu, Bo; Wang, Lingfang; Wu, Chunji; Cui, Dongmei","Sequence-controlled ethylene/styrene copolymerization catalyzed by scandium complexes","Polymer Chemistry","2019","10","2","235","","10.1039/C8PY01326H","","","0.71073","MoKα","","0.1635","0.0854","","","0.1198","0.145","","","","","","1.034","","","","has coordinates","225340","2020-10-21","18:00:00",""
"1550203","21.799","0.0011","22.6096","0.0015","26.0615","0.0017","90","","90","","90","","12844.8","1.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C80 H112 Ag8 B8 F32 N48 O16 -","- C80 H112 Ag8 B6 F24 N48 O16 -","- C320 H448 Ag32 B24 F96 N192 O64 -","4","1","","Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel","Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires","Chemical Science","2019","","","","","10.1039/C8SC04036B","","","0.71069","MoKα","","0.0516","0.0377","","","0.067","0.0718","","","","","","1.01","","","","has coordinates","211862","2020-10-21","18:00:00",""
"1550204","21.9528","0.0019","22.8449","0.0016","26.174","0.002","90","","90","","90","","13126.5","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H112 Ag8 Cl8 N48 O48 -","- C80 H112 Ag8 Cl7 N48 O44 -","- C320 H448 Ag32 Cl28 N192 O176 -","4","1","","Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel","Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires","Chemical Science","2019","","","","","10.1039/C8SC04036B","","","0.71069","MoKα","","0.1115","0.0767","","","0.1857","0.2051","","","","","","1.095","","","","has coordinates","211862","2020-10-21","18:00:00",""
"1550220","6.2744","0.0003","14.5625","0.0009","15.6489","0.0007","90","","90","","90","","1429.85","0.13","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Liu, Rai-Shung; Singh, RahulKumar Rajmani; Skaria, Manisha; Chen, Liang-Yu; Cheng, Mu-Jeng","Gold-catalyzed (4+3)-Annulations of 2-Alkenyl-1-Alkynylbenzenes with Anthranils with Alkyne-Dependent Chemoselectivity: Skeletal Rearrangement versus Non-Rearrangement","Chemical Science","2019","","","","","10.1039/C8SC03619E","","","0.71073","MoKα","","0.0725","0.0421","","","0.0838","0.0994","","","","","","1.111","","","","has coordinates","211905","2020-10-21","18:00:00",""
"1550260","11.9618","0.0003","13.0959","0.0003","15.6088","0.0003","90","","90","","90","","2445.13","0.1","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 B N2 O2 -","- C24 H37 B N2 O2 -","- C96 H148 B4 N8 O8 -","4","1","","Radcliffe, James; Fasano, Valerio; Adams, Ralph W.; You, Peiran; Ingleson, Michael James","Reductive α-borylation of α,β-unsaturated esters using NHC-BH3 activated by I2 as a metal-free route to α-boryl esters.","Chemical Science","2019","","","","","10.1039/C8SC04305A","","x-ray","1.54184","CuKα","","0.048","0.0436","","","0.1232","0.1275","","","","","","1.072","","","","has coordinates","212049","2020-10-21","18:00:00",""
"1550273","7.485","0.005","9.173","0.007","16.995","0.013","90","","90","","90","","1166.9","1.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","C16 H14 O","1,1-Diphenylbut-3-yn-1-ol","","- C16 H14 O -","- C16 H14 O -","- C64 H56 O4 -","4","1","HB4269","Umaña, Christian A.; Pineda, Leslie W.; Cabezas, Jorge A.","Homopropargyl alcohol 1,1-diphenylbut-3-yn-1-ol","IUCrData","2018","3","11","x181619","","10.1107/S241431461801619X","","","0.71073","MoKα","","0.0274","0.027","","","0.0747","0.075","","","","","","1.062","","","","has coordinates,has Fobs","212146","2020-10-21","18:00:00",""
"1550313","6.4405","0.0009","7.266","0.0014","28.081","0.004","90","","90","","90","","1314.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)isonicotinohydrazide monohydrate","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C52 H48 Cl4 N12 O8 -","4","1","LH4041","Stondus, Jigmat; Anthal, Sumati; Jayashree, A.; Narayana, B.; Sarojini, B. K.; Kant, Rajni","Polymorph of (<i>E</i>)-<i>N</i>'-(4-chlorobenzylidene)isonicotinohydrazide monohydrate","IUCrData","2018","3","11","x181634","","10.1107/S2414314618016346","","","0.71073","MoKα","","0.1153","0.0666","","","0.1232","0.1475","","","","","","1.016","","","","has coordinates,has Fobs","212279","2020-10-21","18:00:00",""
"1550314","5.4774","0.0006","11.1557","0.0012","14.561","0.0017","90","","90","","90","","889.74","0.17","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3-(4-hydroxyphenyl)propionate","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","RZ4027","Abdou, Moaz M.; Matziari, Magdalini; O'Neill, Paul M.; Amigues, Eric; Zhou, Ruixue; Wang, Ruiyao; Ali, Basem F.","Methyl 3-(4-hydroxyphenyl)propionate","IUCrData","2018","3","11","x181662","","10.1107/S2414314618016620","","","0.71073","MoKα","","0.0637","0.0401","","","0.0815","0.0905","","","","","","1.042","","","","has coordinates,has Fobs","212280","2020-10-21","18:00:00",""
"1550321","13.84854","0.00012","21.0014","0.0002","27.3815","0.0003","90","","90","","90","","7963.6","0.13","123","1","123","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C77 H111 Co Ga K N4 O6 P4 -","- C77 H111 Co Ga K N4 O6 P4 -","- C308 H444 Co4 Ga4 K4 N16 O24 P16 -","4","1","","Ziegler, Christoph G. P.; Maier, Thomas M.; Pelties, Stefan; Taube, Clemens; Hennersdorf, Felix; Ehlers, A.W.; Weigand, Jan J.; Wolf, Robert","Construction of Alkyl-Substituted Pentaphosphido Ligands in the Coordination Sphere of Cobalt","Chemical Science","2019","","","","","10.1039/C8SC04745F","","x-ray","1.54184","CuKα","","0.0361","0.0339","","","0.0912","0.093","","","","","","1.033","","","","has coordinates,has disorder","212360","2020-10-21","18:00:00",""
"1550331","5.478","0.002","9.837","0.002","25.781","0.005","90","","90","","90","","1389.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N O2 -","- C16 H18 N O2 -","- C64 H72 N4 O8 -","4","1","","Yao, Kun; Yuan, Qianjia; Qu, Xingxin; Liu, Yangang; Liu, Delong; Zhang, Wanbin","Pd-Catalyzed asymmetric allylic substitution cascade using α-(pyridin-1-yl)-acetamides formed in situ as nucleophiles","Chemical Science","2019","","","","","10.1039/C8SC04626C","","","1.54178","CuKα","","0.0523","0.047","","","0.1419","0.1468","","","","","","1.163","","","","has coordinates","212362","2020-10-21","18:00:00",""
"1550338","9.1697","0.0006","9.5203","0.0006","36.333","0.002","90","","90","","90","","3171.8","0.3","185","2","185","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 F2 N O3 P Pd S -","- C34 H38 F2 N O3 P Pd S -","- C136 H152 F8 N4 O12 P4 Pd4 S4 -","4","1","","Xia, Jian; Zhang, Yixin; Hu, Xiaoqiang; Ma, Xin; Cui, Lei; Zhang, Jianfu; Jian, Zhongbao","Sterically very bulky aliphatic/aromatic phosphine-sulfonate palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2019","10","4","546","","10.1039/C8PY01568F","","","0.71073","MoKα","","0.0662","0.0468","","","0.0837","0.0898","","","","","","0.964","","","","has coordinates","225338","2020-10-21","18:00:00",""
"1550365","7.5676","0.0002","10.7802","0.0002","11.4092","0.0003","90","","90","","90","","930.77","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","HB4272","Dioukhane, Khadim; Aouine, Younas; Faraj, Hassane; Alami, Anouar; Essassi, El Mokhtar; Zouihri, Hafid","4-Methyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","IUCrData","2018","3","12","x181718","","10.1107/S2414314618017182","","","0.71073","MoKα","","0.0297","0.0283","","","0.0837","0.0858","","","","","","1.026","","","","has coordinates,has Fobs","212616","2020-10-21","18:00:00",""
"1550379","6.2996","0.0004","14.6723","0.0011","19.1704","0.0013","90","","90","","90","","1771.9","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Gupta, Saswata; Lin, Yongjia; Xia, Yuanzhi; Wink, Donald; Lee, Daesung","Alder-Ene Reactions Driven by High Steric Strain and Bond Angle Distortion to Form Benzocyclobutenes","Chemical Science","2019","","","","","10.1039/C8SC04277B","","","0.71073","MoKα","","0.0682","0.0411","","","0.1031","0.1171","","","","","","0.869","","","","has coordinates","212666","2020-10-21","18:00:00",""
"1550407","11.227","0.0004","14.6841","0.0006","21.0838","0.0009","90","","90","","90","","3475.8","0.2","172.95","0.1","172.95","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H50 Al N2 -","- C38 H50 Al N2 -","- C152 H200 Al4 N8 -","4","1","","Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Reversible Alkene Binding and Allylic C‒H Activation with an Aluminium(I) Complex","Chemical Science","2019","","","","","10.1039/C8SC04865G","","x-ray","0.71073","MoKα","","0.0731","0.0502","","","0.1269","0.1458","","","","","","0.867","","","","has coordinates,has disorder","212908","2020-10-21","18:00:00",""
"1550419","7.6102","0.0008","10.7051","0.0011","27.326","0.003","90","","90","","90","","2226.2","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl (S)-1-(3,3-bis(4-chlorophenyl)allyl) -2-oxo-1,2-dihydronaphthalene-1-carboxylate","","","- C27 H20 Cl2 O3 -","- C27 H20 Cl2 O3 -","- C108 H80 Cl8 O12 -","4","1","","Yao, Lu; Ishihara, Kazuaki","Enantioselecive [1,3] O-to-C rearrangement: Dearomatization of alkyl 2-allyloxy/benzyloxy-1/3-naphthoates catalyzed by a chiral π‒Cu(II) complex","Chemical Science","2019","","","","","10.1039/C8SC05601C","","","0.71075","MoKα","","0.0275","0.0259","","","0.0671","0.0678","","","","","","1.059","","","","has coordinates","212914","2020-10-21","18:00:00",""
"1550420","14.293","0.003","16.823","0.003","21.7","0.005","90","","90","","90","","5217.8","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H64 Cu F6 N4 O8 S2 -","- C50 H64 Cu F6 N4 O8 S2 -","- C200 H256 Cu4 F24 N16 O32 S8 -","4","1","","Yao, Lu; Ishihara, Kazuaki","Enantioselecive [1,3] O-to-C rearrangement: Dearomatization of alkyl 2-allyloxy/benzyloxy-1/3-naphthoates catalyzed by a chiral π‒Cu(II) complex","Chemical Science","2019","","","","","10.1039/C8SC05601C","","","0.71075","MoKα","","0.1782","0.0834","","","0.1116","0.1397","","","","","","1.107","","","","has coordinates","212914","2020-10-21","18:00:00",""
"1550444","7.585","0.0001","10.8242","0.0002","13.0468","0.0003","90","","90","","90","","1071.16","0.03","160","","160","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H15 I N2 O -","- C7 H15 I N2 O -","- C28 H60 I4 N8 O4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","0.71073","MoKα","","0.0138","0.0133","","0.0296","0.0294","0.0296","","","","","","0.9879","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550445","9.4006","0.0001","13.2619","0.0002","16.6581","0.0002","90","","90","","90","","2076.76","0.05","160","","160","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 B Cl F4 N4 O2 -","- C14 H30 B Cl F4 N4 O2 -","- C56 H120 B4 Cl4 F16 N16 O8 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.54184","CuKα","","0.0349","0.0329","","0.0903","0.0888","0.0903","","","","","","0.996","","","","has coordinates,has disorder","213007","2020-10-21","18:00:00",""
"1550446","6.106","0.0003","9.0317","0.0006","42.33","0.004","90","","90","","90","","2334.4","0.3","160","","160","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Br N2 O4 S -","- C22 H27 Br N2 O4 S -","- C88 H108 Br4 N8 O16 S4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.5418","CuKα","","0.0768","0.0669","","0.0915","0.0899","0.0915","","","","","","1.0929","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550447","6.2219","0.0001","9.0228","0.0001","43.0569","0.0005","90","","90","","90","","2417.17","0.05","160","","160","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 I N2 O4 S -","- C22 H27 I N2 O4 S -","- C88 H108 I4 N8 O16 S4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.5418","CuKα","","0.0209","0.0206","","0.0525","0.0524","0.0525","","","","","","0.9845","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550448","6.3765","0.0001","8.8174","0.0001","42.942","0.0007","90","","90","","90","","2414.38","0.06","160","","160","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N3 O7 S -","- C22 H27 N3 O7 S -","- C88 H108 N12 O28 S4 -","4","1","","Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard","Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients","IUCrJ","2019","6","1","145","151","10.1107/S2052252518017876","","","1.54184","CuKα","","0.0417","0.0389","","0.0928","0.0913","0.0928","","","","","","0.9931","","","","has coordinates","213007","2020-10-21","18:00:00",""
"1550505","6.9557","0.0008","7.4897","0.0008","41.571","0.005","90","","90","","90","","2165.7","0.4","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N4 O12 -","- C19 H24 N4 O12 -","- C76 H96 N16 O48 -","4","1","","Shi, Jing; Zeng, Ying Jie; Zhang, Bo; Shao, Fen Li; Chen, Yan-Chi; Xu, Xiang; Sun, Yang; Xu, Qiang; Tan, Ren Xiang; Ge, Hui Ming","Comparative Genome Mining and Heterologous Expression of an Orphan NRPS Gene Cluster Directs the Production of Ashimides","Chemical Science","2019","","","","","10.1039/C8SC05670F","","","1.54178","CuKα","","0.0495","0.0422","","","0.0938","0.0976","","","","","","1.044","","","","has coordinates","213241","2020-10-21","18:00:00",""
"1550523","13.3925","0.0003","25.1226","0.0008","27.0041","0.0009","90","","90","","90","","9085.6","0.5","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Mn9-lipoate Lambda-Lambda enantiomer","","- C78 H102 Cl Mn9 N6 O28 S6 -","- C78 H102 Cl Mn9 N6 O28 S6 -","- C312 H408 Cl4 Mn36 N24 O112 S24 -","4","1","","Mitcov, Dmitri; Pedersen, Anders Hjordt; Ceccato, Marcel; Gelardi, Rikke Munch; Hassenkam, Tue; Konstantatos, Andreas; Reinholdt, Anders; Sørensen, Mikkel A.; Thulstrup, Peter Waaben Waaben; Vinum, Morten Gotthold; Wilhelm, Fabrice; Rogalev, Andrei; Wernsdorfer, Wolfgang; Brechin, Euan K.; Piligkos, Stergios","Molecular multifunctionality preservation upon surface deposition for a chiral Single-Molecule Magnet","Chemical Science","2019","","","","","10.1039/C8SC04917C","","x-ray","0.71073","MoKα","","0.0661","0.0591","","","0.1619","0.1696","","","","","","1.037","","","","has coordinates,has disorder","213329","2020-10-21","18:00:00",""
"1550524","13.4007","0.0006","25.1409","0.0011","26.8999","0.0012","90","","90","","90","","9062.7","0.7","122","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Mn9-lipoate Delta-Delta enantiomer","","- C78 H102 Cl Mn9 N6 O28 S6 -","- C78 H102 Cl Mn9 N6 O28 S6 -","- C312 H408 Cl4 Mn36 N24 O112 S24 -","4","1","","Mitcov, Dmitri; Pedersen, Anders Hjordt; Ceccato, Marcel; Gelardi, Rikke Munch; Hassenkam, Tue; Konstantatos, Andreas; Reinholdt, Anders; Sørensen, Mikkel A.; Thulstrup, Peter Waaben Waaben; Vinum, Morten Gotthold; Wilhelm, Fabrice; Rogalev, Andrei; Wernsdorfer, Wolfgang; Brechin, Euan K.; Piligkos, Stergios","Molecular multifunctionality preservation upon surface deposition for a chiral Single-Molecule Magnet","Chemical Science","2019","","","","","10.1039/C8SC04917C","","x-ray","0.71073","MoKα","","0.0547","0.0483","","","0.1202","0.1249","","","","","","1.045","","","","has coordinates,has disorder","213329","2020-10-21","18:00:00",""
"1550525","5.8911","0.0001","12.299","0.0003","22.4992","0.0005","90","","90","","90","","1630.17","0.06","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Breit, Bernhard; Schmidt, Johannes","Transition Metal Catalyzed Stereodivergent Synthesis of syn- and anti-δ-Vinyl-Lactams: Formal Total Synthesis of (−)-Cermizine C and (−)-Senepodine G","Chemical Science","2019","","","","","10.1039/C8SC05502E","","x-ray","0.71073","MoKα","","0.042","0.0359","","","0.0856","0.089","","","","","","1.03","","","","has coordinates","213330","2020-10-21","18:00:00",""
"1550568","9.959","0.002","10.49","0.002","23.62","0.005","90","","90","","90","","2467.6","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","","- C29 H25 F N2 O4 -","- C29 H25 F N2 O4 -","- C116 H100 F4 N8 O16 -","4","1","","Li, Yu-Long; Zhou, Jin; Zhong, Kai-Long; Shi, Xing-Hao; Zhang, Zhi-Yuan; Jiang, Hong; Sun, Hong-Shun","Diethyl 3,3'-[(4-fluorophenyl)methylidene]bis(1<i>H</i>-indole-2-carboxylate)","IUCrData","2019","4","2","x190134","","10.1107/S2414314619001342","","","0.71073","MoKα","","0.1395","0.0573","","","0.0791","0.0999","","","","","","0.954","","","","has coordinates,has Fobs","213515","2020-10-21","18:00:00",""
"1550582","9.8225","0.0002","10.4555","0.0002","19.967","0.0004","90","","90","","90","","2050.59","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O -","- C23 H30 N2 O -","- C92 H120 N8 O4 -","4","1","","Vasu, Dhananjayan; Fuentes de Arriba, Angel L.; Leitch, Jamie; de Gombert, Antoine; Dixon, Darren","Primary α-Tertiary Amine Synthesis via α-C‒H Functionalization","Chemical Science","2019","","","","","10.1039/C8SC05164J","","","1.54184","CuKα","","0.0368","0.0339","","0.0866","0.084","0.0866","","","","","","1.0257","","","","has coordinates","213566","2020-10-21","18:00:00",""
"1550596","9.3465","0.0007","10.4901","0.0008","18.9441","0.0015","90","","90","","90","","1857.4","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br N O2 -","- C22 H18 Br N O2 -","- C88 H72 Br4 N4 O8 -","4","1","","Rezayee, Nomaan Mohammed; Lauridsen, Vibeke Henriette; Næsborg, Line; Nguyen, Thanh V. Q.; Tobiesen, Henriette Natorp; Jorgensen, Karl Anker","Oxidative Organocatalysed Enantioselective Coupling of Indoles with Aldehydes that Forms Quaternary Carbon Stereocentres","Chemical Science","2019","","","","","10.1039/C9SC00196D","","","0.56086","AgKα","","0.0237","0.0209","","","0.0493","0.05","","","","","","1.053","","","","has coordinates,has disorder","213628","2020-10-21","18:00:00",""
"1550597","7.0684","0.0002","10.5124","0.0004","16.554","0.0005","90","","90","","90","","1230.06","0.07","143","0.1","143","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H20 Cl2 Cu N4 O -","- C6 H20 Cl2 Cu N4 O -","- C24 H80 Cl8 Cu4 N16 O4 -","4","1","","Fu, Chunyan; Lizhao, Junhong; Luo, Zhenghui; Wang, Tao; Grapperhaus, Craig A.; Ding, Xueqin; Kang, Y. James","Active uptake of hydrophilic copper complex Cu(ii)-TETA in primary cultures of neonatal rat cardiomyocytes.","Metallomics : integrated biometal science","2019","11","3","565","575","10.1039/c8mt00277k","","x-ray","0.71073","MoKα","","0.0364","0.0314","","","0.0651","0.0679","","","","","","1.039","","","","has coordinates","224654","2020-10-21","18:00:00",""
"1550608","12.1298","0.0009","15.8356","0.0012","19.4206","0.0015","90","","90","","90","","3730.4","0.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 B Cl2 F15 Ge N2 O -","- C35 H28 B Cl2 F15 Ge N2 O -","- C140 H112 B4 Cl8 F60 Ge4 N8 O4 -","4","1","","Sharma, Mahendra Kumar; Sinhababu, Soumen; Mahawar, Pritam; Mukherjee, Goutam; Pandey, Bhawana; Rajaraman, Gopalan; Selvarajan, Nagendran","Donor-Acceptor-Stabilized Germanium Analogues of Acid Chloride, Ester, and Acyl Pyrrole Compounds: Synthesis and Reactivity","Chemical Science","2019","","","","","10.1039/C8SC05380D","","","0.71073","MoKα","","0.0446","0.0373","","","0.0892","0.0932","","","","","","1.069","","","","has coordinates","213691","2020-10-21","18:00:00",""
"1550629","17.5522","0.0006","21.2914","0.0007","35.9929","0.0011","90","","90","","90","","13450.9","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C148.57 H175.16 B6 Cl5.16 Fe N10 -","- C148.574 H175.16 B6 Cl5.16 Fe N10 -","- C594.296 H700.64 B24 Cl20.64 Fe4 N40 -","4","1","","McNicholas, Brendon James; Grubbs, Robert H.; Winkler, Jay; Gray, Harry B.; Despagnet-Ayoub, Emmanuelle","Tuning the Formal Potential of Ferrocyanide over a 2.1 V Range","Chemical Science","2019","","","","","10.1039/C8SC04972F","","","1.54178","CuKα","","0.1439","0.1006","","","0.2528","0.289","","","","","","1.024","","","","has coordinates,has disorder","213771","2020-10-21","18:00:00",""
"1550647","6.493","0.0007","13.8065","0.001","27.539","0.002","90","","90","","90","","2468.8","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)thiazole","","- C28 H23 F N6 S -","- C28 H23 F N6 S -","- C112 H92 F4 N24 S4 -","4","1","HB4287","El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Yousif, Emad; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M.","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1<i>H</i>-1,2,3-triazol-4-yl)thiazole","IUCrData","2019","4","2","x190240","","10.1107/S2414314619002402","","","0.71073","MoKα","","0.0975","0.054","","","0.1072","0.1296","","","","","","1.018","","","","has coordinates,has Fobs","213814","2020-10-21","18:00:00",""
"1550648","10.432","0.002","11.297","0.002","12.688","0.002","90","","90","","90","","1495.3","0.5","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-1-benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","","- C19 H12 N2 O3 -","- C19 H12 N2 O3 -","- C76 H48 N8 O12 -","4","1","EB4001","Onami, Yuika; Siddaraju, Budanur P.; Anilkumar, Haleyur G.; Yathirajan, Hemmige S.; Haraguchi, Tomoyuki; Akitsu, Takashiro","(<i>Z</i>)-1-Benzoyl-5-benzylidene-2-hydroxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","IUCrData","2019","4","2","x190220","","10.1107/S2414314619002207","","","0.71073","MoKα","","0.0731","0.0713","","","0.1716","0.1732","","","","","","1.076","","","","has coordinates,has Fobs","213815","2020-10-21","18:00:00",""
"1550654","9.0363","0.0006","20.0218","0.0013","21.2177","0.0015","90","","90","","90","","3838.8","0.4","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H56 Cl9 Mn2 N5 O6 -","- C22 H56 Cl9 Mn2 N5 O6 -","- C88 H224 Cl36 Mn8 N20 O24 -","4","1","","Sun, Meng-En; Li, Yao; Dong, Xi-Yan; Zang, Shuang-Quan","Thermoinduced Structural-Transformation and Thermochromic Luminescence in Organic Manganese Chloride Crystals","Chemical Science","2019","","","","","10.1039/C8SC04711A","","","0.71073","MoKα","","0.0517","0.0401","","","0.0768","0.0793","","","","","","0.971","","","","has coordinates","213841","2020-10-21","18:00:00",""
"1550656","8.2031","0.0002","16.729","0.0004","19.7339","0.0005","90","","90","","90","","2708.08","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 Cl2 -","- C37 H26 Cl2 -","- C148 H104 Cl8 -","4","1","","Lovell, Terri Christine; Colwell, Curtis Eugene; Zakharov, Lev; Jasti, Ramesh","Symmetry Breaking and the Turn-On Fluorescence of Small, Highly Strained Carbon Nanohoops","Chemical Science","2019","","","","","10.1039/C9SC00169G","","","1.54178","CuKα","","0.0342","0.0318","","","0.0792","0.0808","","","","","","1.051","","","","has coordinates","213842","2020-10-21","18:00:00",""
"1550702","10.3176","0.0003","10.5583","0.0003","18.2395","0.0005","90","","90","","90","","1986.94","0.1","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O3 -","- C22 H19 Br N2 O3 -","- C88 H76 Br4 N8 O12 -","4","1","","Putatunda, Salil; Alegre-Requena, Juan V; Meazza, Marta; Franc, Michael; Rohalova, Dominika; Vemuri, Pooja Y.; Císařová, Ivana; Herrera, Raquel P.; Rios, Ramon; Vesely, Jan","Proline Bulky Substituents Consecutively Act as Steric Hindrances and Directing Groups in a Michael/Conia-Ene Cascade Reaction under Synergistic Catalysis","Chemical Science","2019","","","","","10.1039/C8SC05258A","","","0.71073","MoKα","","0.0254","0.0225","","","0.0549","0.0561","","","","","","1.054","","","","has coordinates","213944","2020-10-21","18:00:00",""
"1550727","10.9667","0.0005","12.303","0.0005","20.3131","0.0012","90","","90","","90","","2740.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H24 N2 O2 S -","- C36 H24 N2 O2 S -","- C144 H96 N8 O8 S4 -","4","1","","Tian, Di; Zhu, Zece; Xu, Li; Cong, Hengjiang; Zhu, Jintao","Intramolecular electronic coupling for persistent room-temperature luminescence for smartphone based time-gated fingerprint detection","Materials Horizons","2019","6","6","1215","","10.1039/C9MH00130A","","","0.71073","MoKα","","0.0663","0.0391","","","0.0884","0.102","","","","","","1.01","","","","has coordinates","225364","2020-10-21","18:00:00",""
"1550815","5.7205","0.0001","19.9636","0.0003","21.5679","0.0003","90","","90","","90","","2463.09","0.07","120.3","0.8","120.3","0.8","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N2 O2 S -","- C30 H30 N2 O2 S -","- C120 H120 N8 O8 S4 -","4","1","","Yao, Wei-Wei; Li, Ran; Li, Jiang-Fei; Sun, Juan; Ye, Mengchun","NHC ligand-enabled Ni-catalyzed reductive coupling of alkynes and imines using isopropanol as a reductant","Green Chemistry","2019","21","9","2240","","10.1039/C9GC00653B","","x-ray","1.54184","CuKα","","0.0492","0.0466","","","0.1137","0.115","","","","","","1.032","","","","has coordinates,has disorder","224626","2020-10-21","18:00:00",""
"1550842","8.3938","0.0004","17.8033","0.0009","25.5129","0.0011","90","","90","","90","","3812.6","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H49 Cl Cu F N5 O6 -","- C40 H49 Cl Cu F N5 O6 -","- C160 H196 Cl4 Cu4 F4 N20 O24 -","4","1","","Ude, Ziga; Kavanagh, Kevin; Twamley, Brendan; Pour, Milan; Gathergood, Nicholas; Kellett, Andrew; Marmion, Celine J.","A new class of prophylactic metallo-antibiotic possessing potent anti-cancer and anti-microbial properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8578","8593","10.1039/c9dt00250b","","x-ray","0.71073","MoKα","","0.0593","0.0442","","","0.0862","0.092","","","","","","1.049","","","","has coordinates,has disorder","223794","2020-10-21","18:00:00",""
"1550873","12.359","0.003","13.352","0.003","30.833","0.006","90","","90","","90","","5088","2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 N4 P2 Rb2 -","- C56 H56 N4 P2 Rb2 -","- C224 H224 N16 P8 Rb8 -","4","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0439","0.0306","","","0.0573","0.0604","","","","","","1.021","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550875","12.481","0.003","13.11","0.003","30.547","0.006","90","","90","","90","","4998.3","1.9","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 K2 N4 P2 -","- C56 H56 K2 N4 P2 -","- C224 H224 K8 N16 P8 -","4","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.0332","0.0305","","","0.0789","0.0802","","","","","","1.044","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550877","13.693","0.003","17.008","0.003","32.906","0.007","90","","90","","90","","7663","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H84 Cs3 N6 P3 -","- C84 H84 Cs3 N6 P3 -","- C336 H336 Cs12 N24 P12 -","4","1","","Feuerstein, Thomas J.; Goswami, Bhupendra; Rauthe, Pascal; Köppe, Ralf; Lebedkin, Sergei; Kappes, Manfred M.; Roesky, Peter W.","Alkali metal complexes of an enantiopure iminophosphonamide ligand with bright delayed fluorescence","Chemical Science","2019","10","18","4742","4749","10.1039/C9SC00629J","","","0.71073","MoKα","","0.045","0.0413","","","0.1105","0.113","","","","","","1.039","","","","has coordinates","282777","2023-04-20","11:56:51",""
"1550912","7.9579","0.0001","12.9023","0.0002","14.8437","0.0002","90","","90","","90","","1524.08","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Huang, Chaofan; Qian, Hui; Zhang, Wanli; Ma, Shengming","Hydroxy Group-Enabled Highly Regio- and Stereo-selective Hydrocarboxylation of Alkynes","Chemical Science","2019","","","","","10.1039/C8SC05743E","","x-ray","1.54184","CuKα","","0.0288","0.0278","","","0.0691","0.0696","","","","","","1.041","","","","has coordinates","214675","2020-10-21","18:00:00",""
"1550959","9.2685","0.0013","17.886","0.003","21.589","0.003","90","","90","","90","","3578.9","0.9","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br F3 N O2 -","- C18 H15 Br F3 N O2 -","- C144 H120 Br8 F24 N8 O16 -","8","2","","Barrios Antunez, Diego; Greenhalgh, Mark; Brueckner, Alexander C.; Walden, Daniel M.; Elías-Rodríguez, Pilar; Roberts, Patrick; Young, Benjamin; West, Thomas; Slawin, Alexandra; Ha Yeon Cheong, Paul; Smith, Andrew D.","Catalytic enantioselective synthesis of perfluoroalkyl-substituted β-lactones via a concerted asynchronous [2+2] cycloaddition: A synthetic and computational study","Chemical Science","2019","","","","","10.1039/C9SC00390H","","","0.71075","MoKα","","0.0614","0.04","","","0.0655","0.0704","","","","","","0.83","","","","has coordinates","214864","2020-10-21","18:00:00",""
"1550960","13.6483","0.0015","16.5846","0.0018","23.807","0.003","90","","90","","90","","5388.8","1.1","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br F9 N O2 -","- C26 H19 Br F9 N O2 -","- C208 H152 Br8 F72 N8 O16 -","8","2","","Barrios Antunez, Diego; Greenhalgh, Mark; Brueckner, Alexander C.; Walden, Daniel M.; Elías-Rodríguez, Pilar; Roberts, Patrick; Young, Benjamin; West, Thomas; Slawin, Alexandra; Ha Yeon Cheong, Paul; Smith, Andrew D.","Catalytic enantioselective synthesis of perfluoroalkyl-substituted β-lactones via a concerted asynchronous [2+2] cycloaddition: A synthetic and computational study","Chemical Science","2019","","","","","10.1039/C9SC00390H","","","0.71075","MoKα","","0.0635","0.0404","","","0.0719","0.0784","","","","","","0.861","","","","has coordinates","214864","2020-10-21","18:00:00",""
"1550964","7.1973","0.0016","11.006","0.003","16.413","0.004","90","","90","","90","","1300.1","0.6","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 -","- C16 H18 N2 -","- C64 H72 N8 -","4","1","","Yorimoto, Sadaiwa; Tsubouchi, Akira; Mizoguchi, Haruki; Oikawa, Hideaki; Tsunekawa, Yoshiaki; Ichino, Tomoya; Maeda, Satoshi; Oguri, Hiroki","Zn(OTf)2-mediated annulations of N-propargylated tetrahydrocarbolines: divergent synthesis of four distinct alkaloidal scaffolds","Chemical Science","2019","","","","","10.1039/C9SC01507H","","","0.71075","MoKα","","","0.0668","","","","0.1419","","","","","","0.999","","","","has coordinates","214887","2020-10-21","18:00:00",""
"1551025","5.5742","0.0007","10.477","0.0012","29.893","0.003","90","","90","","90","","1745.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O6 S -","- C16 H26 O6 S -","- C64 H104 O24 S4 -","4","1","","Zhang, Fan-Zhong; Li, Xiao-Ming; Yang, Sui-Qun; Meng, Ling-Hong; Wang, Bin-Gui","Thiocladospolides A-D, 12-Membered Macrolides from the Mangrove-Derived Endophytic Fungus Cladosporium cladosporioides MA-299 and Structure Revision of Pandangolide 3.","Journal of natural products","2019","82","6","1535","1541","10.1021/acs.jnatprod.8b01091","","","1.54178","CuKα","","0.1211","0.0741","","","0.1285","0.1566","","","","","","1.025","","","","has coordinates","223216","2020-10-21","18:00:00",""
"1551026","8.7354","0.0001","10.3344","0.0002","18.8954","0.0003","90","","90","","90","","1705.78","0.05","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Song, Ya-Jie; Zheng, Hong-Bo; Peng, Ai-Hong; Ma, Jia-Hui; Lu, Dan-Dan; Li, Xia; Zhang, Hang-Yu; Xie, Wei-Dong","Strepantibins A-C: Hexokinase II Inhibitors from a Mud Dauber Wasp Associated Streptomyces sp.","Journal of natural products","2019","82","5","1114","1119","10.1021/acs.jnatprod.8b00821","","","1.54178","CuKα","","0.0315","0.0311","","","0.0819","0.0824","","","","","","1.053","","","","has coordinates","223215","2020-10-21","18:00:00",""
"1551027","8.5837","0.0003","12.3394","0.0004","19.5795","0.0006","90","","90","","90","","2073.82","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27.88 F N3 O3.94 -","- C18 H27.88 F N3 O3.94 -","- C72 H111.52 F4 N12 O15.76 -","4","1","","Fischer, Joshua L.; Elvir, Brayan R.; DeLucia, Sally-Ann; Blodgett, Karl N.; Zeller, Matthias; Kubasik, Matthew A.; Zwier, Timothy S.","Single-Conformation Spectroscopy of Capped Aminoisobutyric Acid Dipeptides: The Effect of C-Terminal Cap Chromophores on Conformation.","The journal of physical chemistry. A","2019","123","19","4178","4187","10.1021/acs.jpca.9b01698","","","1.54178","CuKα","","0.0373","0.035","","","0.0958","0.0981","","","","","","1.07","","","","has coordinates","223239","2020-10-21","18:00:00",""
"1551073","11.153","0.002","11.57","0.002","25.918","0.004","90","","90","","90","","3344.5","1","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H35 Br N2 O3 -","- C39 H35 Br N2 O3 -","- C156 H140 Br4 N8 O12 -","4","1","","Hu, Yu-Long; Wang, Zhe; Yang, Hui; Chen, Jie; Wu, Zi-Bo; Lei, Yibo; Zhou, Ling","Conversion of Two Stereocenters to One or Two Chiral Axes: Atroposelective Synthesis of 2,3-Diarylbenzoindoles","Chemical Science","2019","","","","","10.1039/C9SC00810A","","","0.71073","MoKα","","0.1314","0.0597","","","0.1475","0.1773","","","","","","1.03","","","","has coordinates","215337","2020-10-21","18:00:00",""
"1551082","6.2989","0.0003","10.0377","0.0005","17.5539","0.0009","90","","90","","90","","1109.87","0.1","100","","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Gong, Quan; Wen, Jialin; Zhang, Xumu","Desymmetrization of cyclic 1,3-diketones via Ir-catalyzed hydrogenation: an efficient approach to cyclic hydroxy ketones with a chiral quaternary carbon","Chemical Science","2019","","","","","10.1039/C9SC01769K","","x-ray","1.54178","CuKα","","0.0269","0.0268","","","0.0675","0.0676","","","","","","1.098","","","","has coordinates","215365","2020-10-21","18:00:00",""
"1551142","7.5586","0.0001","9.2085","0.0001","30.8403","0.0005","90","","90","","90","","2146.59","0.05","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 B N2 -","- C24 H31 B N2 -","- C96 H124 B4 N8 -","4","1","","Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc","Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom.","Chemical Science","2019","","","","","10.1039/C9SC01454C","","x-ray","1.54184","CuKα","","0.0429","0.042","","","0.1196","0.1205","","","","","","1.146","","","","has coordinates","215507","2020-10-21","18:00:00",""
"1551143","8.5612","0.0001","15.4461","0.0002","15.9652","0.0003","90","","90","","90","","2111.19","0.05","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B N2 -","- C23 H29 B N2 -","- C92 H116 B4 N8 -","4","1","","Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc","Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom.","Chemical Science","2019","","","","","10.1039/C9SC01454C","","x-ray","1.54184","CuKα","","0.0465","0.0455","","","0.109","0.1107","","","","","","1.083","","","","has coordinates","215507","2020-10-21","18:00:00",""
"1551144","7.7655","0.0001","12.1708","0.0001","22.3907","0.0002","90","","90","","90","","2116.2","0.04","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B N2 O -","- C23 H29 B N2 O -","- C92 H116 B4 N8 O4 -","4","1","","Chuzel, Olivier; Aupic, Clara; Abdou-Mohamed, Amel; Figliola, Calrlotta; Nava, Paola; Tuccio, Beatrice; Chouraqui, Gaëlle; Parrain, Jean-Luc","Highly diastereoselective preparation of chiral NHC-boranes stereogenic at boron atom.","Chemical Science","2019","","","","","10.1039/C9SC01454C","","x-ray","1.54184","CuKα","","0.0371","0.0364","","","0.1027","0.104","","","","","","1.04","","","","has coordinates","215507","2020-10-21","18:00:00",""
"1551180","7.7277","0.0002","11.2221","0.0003","35.0781","0.0008","90","","90","","90","","3042.01","0.13","179.99","0.11","179.99","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Pseudopaline","","- C32 H30 N4 O8 S -","- C32 H30 N4 O8 S -","- C128 H120 N16 O32 S4 -","4","1","","Lei, Xiaoguang; Zhang, Jian; Zhao, Tianhu; Yang, Rongwen; Siridechakorn, Ittipon; Wang, Sanshan; Guo, Qianqian; Bai, Yingjie; Shen, Hong C.","De Novo Synthesis, Structural Assignment and Biological Evaluation of Pseudopaline, a Metallophore Produced by Pseudomonas aeruginosa","Chemical Science","2019","","","","","10.1039/C9SC01405E","","","0.71073","MoKα","","0.0391","0.0344","","","0.0881","0.0907","","","","","","1.017","","","","has coordinates","215616","2020-10-21","18:00:00",""
"1551248","10.3034","0.0004","11.7652","0.0009","20.357","0.0007","90","","90","","90","","2467.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18.5 H25.5 N2.5 O9.5 Zn2 -","- C14 H15 N O8 Zn2 -","- C56 H60 N4 O32 Zn8 -","4","1","","Slater, Benjamin; Wong, So-On; Duckworth, Andrew; White, Andrew J. P.; Hill, Matthew R.; Ladewig, Bradley P.","Upcycling a plastic cup: one-pot synthesis of lactate containing metal organic frameworks from polylactic acid","Chemical Communications","2019","55","51","7319","7322","10.1039/C9CC02861G","","","1.54184","CuKα","","0.0514","0.0441","","","0.1155","0.1209","","","","","","1.048","","","","has coordinates,has disorder","282777","2023-04-20","11:56:52",""
"1551278","8.5146","0.0003","14.5929","0.0005","24.9839","0.0009","90","","90","","90","","3104.32","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39.9 Cl N4 O7.45 -","- C32 H39.896 Cl N4 O7.448 -","- C128 H159.584 Cl4 N16 O29.792 -","4","1","","Evijola Llabani; Robert W. Hicklin; Hyang Yeon Lee; Stephen E. Motika; Lisa A. Crawford; Eranthie Weerapana; Paul J. Hergenrother","Diverse compounds from pleuromutilin lead to a thioredoxin inhibitor and inducer of ferroptosis","Nature Chemistry","2019","11","","521","532","10.1038/s41557-019-0261-6","","","0.71073","MoKα","","0.0486","0.0434","","","0.1145","0.1176","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","215757","2020-10-21","18:00:00",""
"1551280","5.04728","0.00018","19.5159","0.0006","20.2528","0.0008","90","","90","","90","","1994.95","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl2 O -","- C10 H10 Cl2 O -","- C80 H80 Cl16 O8 -","8","2","","Hou, Meimei; Lin, Lu; Chai, Xiangpei; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Enantioselective photoredox dehalogenative protonation","Chemical Science","2019","","","","","10.1039/C9SC02000D","","x-ray","1.54184","CuKα","","0.0553","0.0464","","","0.1189","0.1265","","","","","","1.032","","","","has coordinates","215764","2020-10-21","18:00:00",""
"1551306","5.8086","0.0001","10.7521","0.0002","22.7153","0.0005","90","","90","","90","","1418.68","0.05","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Wu, Wangbin; Cao, Weidi; Hu, Linfeng; Su, Zhishan; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Baeyer-Villiger oxidation: classical and parallel kinetic resolution of 3-substituted cyclohexanones and desymmetrization of meso-disubstituted cycloketones","Chemical Science","2019","","","","","10.1039/C9SC01563A","","","1.54178","CuKα","","0.0277","0.027","","","0.0703","0.0709","","","","","","1.05","","","","has coordinates","215796","2020-10-21","18:00:00",""
"1551308","12.201","0.001","14.5638","0.0012","22.547","0.002","90","","90","","90","","4006.4","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","H2NiInL","","","- C39 H62 In N4 Ni P3 -","- C39 H62 In N4 Ni P3 -","- C156 H248 In4 N16 Ni4 P12 -","4","1","","Cammarota, Ryan; Xie, Jing; Burgess, Samantha; Vogiatzis, Konstantinos; Ye, Jingyun; Vollmer, Matthew; Linehan, John C.; Appel, Aaron M.; hoffmann, christina; Wang, Xiaoping; Young, Jr., Victor; Lu, Connie","Thermodynamic and Kinetic Studies of H2 and N2 Binding to Bimetallic Nickel-Group 13 Complexes and Neutron Structure of a Ni(η2-H2) Adduct","Chemical Science","2019","","","","","10.1039/C9SC02018G","","","0.6","neutron","","0.0902","0.062","","","0.1262","0.1479","","","","","","0.613","","","","has coordinates","215797","2020-10-21","18:00:00",""
"1551309","12.2127","0.0004","14.5402","0.0005","22.5601","0.0008","90","","90","","90","","4006.1","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","H2NiInL","","","- C39 H62 In N4 Ni P3 -","- C39 H62 In N4 Ni P3 -","- C156 H248 In4 N16 Ni4 P12 -","4","1","","Cammarota, Ryan; Xie, Jing; Burgess, Samantha; Vogiatzis, Konstantinos; Ye, Jingyun; Vollmer, Matthew; Linehan, John C.; Appel, Aaron M.; hoffmann, christina; Wang, Xiaoping; Young, Jr., Victor; Lu, Connie","Thermodynamic and Kinetic Studies of H2 and N2 Binding to Bimetallic Nickel-Group 13 Complexes and Neutron Structure of a Ni(η2-H2) Adduct","Chemical Science","2019","","","","","10.1039/C9SC02018G","","","0.71073","MoKα","","0.0202","0.0181","","","0.0392","0.0401","","","","","","1.092","","","","has coordinates","215797","2020-10-21","18:00:00",""
"1551336","7.2835","0.0002","12.3657","0.0004","24.4205","0.001","90","","90","","90","","2199.45","0.13","223","","223","","","","","","","","MAT ETH Zurich","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Br O10 -","- C19 H21 Br O10 -","- C76 H84 Br4 O40 -","4","1","","Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath","A multistep single-crystal-to-single-crystal bromodiacetylene dimerization","Nature Chemistry","2013","5","","327","334","10.1038/nchem.1575","","","0.71073","MoKα","","0.0756","0.0559","","","0.1501","0.1645","","","","","","1.087","","","","has coordinates","215833","2020-10-21","18:00:00",""
"1551399","7.1977","0.00006","9.65236","0.00005","18.11426","0.00009","90","","90","","90","","1258.48","0.014","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","David L. Niquille; Douglas A. Hansen; Takahiro Mori; David Fercher; Hajo Kries; Donald Hilvert","Nonribosomal biosynthesis of backbone-modified peptides","Nature Chemistry","2018","10","","282","287","10.1038/nchem.2891","","x-ray","1.54184","CuKα","","0.0322","0.0313","","","0.0824","0.0831","","","","","","1.064","","","","has coordinates","215928","2020-10-21","18:00:00",""
"1551409","6.8959","0.0003","10.2141","0.0004","19.1396","0.0008","90","","90","","90","","1348.11","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","Teng, Qi; Thirupathi, Nuligonda; Tung, Chen-Ho; Xu, Zhenghu","Hydroalkynylative cyclization of 1,6-enynes with terminal alkynes","Chemical Science","2019","","","","","10.1039/C9SC02341K","","x-ray","1.54184","CuKα","","0.064","0.0527","","","0.144","0.1821","","","","","","1.102","","","","has coordinates","215939","2020-10-21","18:00:00",""
"1551412","8.949","0.0005","15.4457","0.0007","19.2674","0.0008","90","","90","","90","","2663.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 N8 Ni O13 -","- C16 H36 N8 Ni O13 -","- C64 H144 N32 Ni4 O52 -","4","1","LQ5022","Christensen, Jeppe; Horton, Peter N.; Bury, Charles S.; Dickerson, Joshua L.; Taberman, Helena; Garman, Elspeth F.; Coles, Simon J.","Radiation damage in small-molecule crystallography: fact not fiction","IUCrJ","2019","6","4","","","10.1107/S2052252519006948","","x-ray","0.71073","MoKα","K-L~3~","0.1363","0.0709","","","0.1173","0.1383","","","","","","1.013","","","","has coordinates,has disorder","215950","2020-10-21","18:00:00",""
"1551495","7.0113","0.0007","10.6464","0.0012","16.842","0.002","90","","90","","90","","1257.2","0.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N -","- C15 H12 Br N -","- C60 H48 Br4 N4 -","4","1","","Rodriguez, Jessica; Zeineddine, Abdallah; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Saffon, Nathalie; Amgoune, Abderrahmane; Bourissou, Didier","Catalytic Au(I)/Au(III) Arylation with the Hemilabile MeDalphos Ligand: Unusual Selectivity for Electron-Rich Iodoarenes and Efficient Application to Indoles","Chemical Science","2019","","","","","10.1039/C9SC01954E","","","0.71073","MoKα","","0.0565","0.0334","","","0.0617","0.0683","","","","","","1.053","","","","has coordinates","216086","2020-10-21","18:00:00",""
"1551538","11.726","0.003","17.511","0.005","17.758","0.005","90","","90","","90","","3646.3","1.7","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 Cl F3 N2 -","- C45 H34 Cl F3 N2 -","- C180 H136 Cl4 F12 N8 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.0767","0.0621","","","0.1447","0.1553","","","","","","1.061","","","","has coordinates","288183","2023-12-08","14:42:20",""
"1551541","8.6566","0.0007","19.9388","0.0016","22.106","0.002","90","","90","","90","","3815.5","0.6","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 F3 O -","- C50 H41 F3 O -","- C200 H164 F12 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.0602","0.0507","","","0.1289","0.1399","","","","","","1.085","","","","has coordinates","288183","2023-12-08","14:42:48",""
"1551561","3.9508","0.0004","10.8449","0.0011","27.627","0.003","90","","90","","90","","1183.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 Br2 N3 O -","- C11 H7 Br2 N3 O -","- C44 H28 Br8 N12 O4 -","4","1","","SUGIYAMA, Haruki","Molecular Planarity and Crystal Structures of <i>N</i>-Salicylideneaminopyrazine Derivatives","X-ray Structure Analysis Online","2018","34","0","57","","10.2116/xraystruct.34.57","","","0.71075","MoKα","","0.0604","0.0494","","","0.1111","0.1175","","","","","","0.997","","","","has coordinates","216171","2020-10-21","18:00:00",""
"1551571","4.84742","0.00017","10.3753","0.0003","36.4017","0.0018","90","","90","","90","","1830.77","0.12","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl N S4 -","- C12 H28 Cl N S4 -","- C48 H112 Cl4 N4 S16 -","4","1","","TOYAMA, Mari; ISONO, Takumi; ICHIYAMA, Atsushi; CHAYAMA, Kenji","Crystal Structure of 9-Aza-3,6,12,15-tetrathiaheptadecane Hydrochloride","X-ray Structure Analysis Online","2018","34","0","7","","10.2116/xraystruct.34.7","","","1.54187","CuKα","","0.0751","0.0706","","","0.1959","0.1982","","","","","","1.104","","","","has coordinates","216181","2020-10-21","18:00:00",""
"1551590","8.7221","0.0002","9.697","0.0003","31.8548","0.001","90","","90","","90","","2694.22","0.13","138","","138","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H37 N O20 -","- C20 H37 N O20 -","- C80 H148 N4 O80 -","4","1","","FUJIMOTO, Takashi; YAMANO, Akihito; NISHIO, Toshiyuku; SAKAKI, Yohei; TASHIRO, Mitsuru","Crystal Structure of β-D-Galactopyranosyl-(1\ρightarrow 6)-β-D-fructofuranosyl-(2↔1)-2-acetamido-2-deoxy-α-D-glucopyranoside","X-ray Structure Analysis Online","2017","33","0","35","","10.2116/xraystruct.33.35","","","0.71075","MoKα","","0.0718","0.0667","","","0.1692","0.172","","","","","","1.081","","","","has coordinates,has disorder","216200","2020-10-21","18:00:00",""
"1551596","7.9129","0.0011","17.27","0.003","21.673","0.003","90","","90","","90","","2961.7","0.8","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N Ni S10 -","- C23 H28 N Ni S10 -","- C92 H112 N4 Ni4 S40 -","4","1","","KAKIHARA, Shunta; SAEKI, Masahiro; ICHIMURA, Shuhei; TAMAKI, Yoshinori; MIYAMURA, Kazuo","Crystal Structure of Benzyldimethyl(ω-cyclohexylethyl)ammonium Bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","X-ray Structure Analysis Online","2017","33","0","15","","10.2116/xraystruct.33.15","","","0.71073","MoKα","","0.0802","0.0469","","","0.0641","0.0734","","","","","","0.821","","","","has coordinates","216206","2020-10-21","18:00:00",""
"1551607","6.432","0.003","10.098","0.005","22.74","0.011","90","0.009","90","0.009","90","0.009","1477","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Co K N2 O10 -","- C10 H12 Co K N2 O10 -","- C40 H48 Co4 K4 N8 O40 -","4","1","","MITSUHASHI, Ryoji; MIKURIYA, Masahiro","Synthesis and Crystal Structure of Potassium Ethylenediaminetetraacetato-cobaltate(III)","X-ray Structure Analysis Online","2016","32","0","5","","10.2116/xraystruct.32.5","","","0.71073","MoKα","","0.0308","0.0283","","","0.0714","0.0722","","","","","","1.038","","","","has coordinates","216218","2020-10-21","18:00:00",""
"1551640","8.9849","0.0011","12.53","0.0015","17.441","0.002","90","","90","","90","","1963.5","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3<i>β</i>-Propanoyloxyandrost-5-en-17-one","","- C22 H32 O3 -","- C22 H32 O3 -","- C88 H128 O12 -","4","1","","Ortiz, Aylin Viviana Silva; Cabeza, Marisa; Bratoeff, Eugene; Soriano-García, Manuel","Crystal Structure and Synthesis of Two Steroidal Derivatives: 3<i>β</i>-Propanoyloxyandrost-5-en-17-one and 3<i>β</i>-Pentanoyloxyandrost-5-en-17-one","X-ray Structure Analysis Online","2015","31","0","9","","10.2116/xraystruct.31.9","","","0.71073","MoKα","","0.1193","0.0607","","","0.1282","0.152","","","","","","1.02","","","","has coordinates","256301","2020-10-21","18:00:00",""
"1551642","6.4713","0.0003","6.7196","0.0003","17.9369","0.0007","90","","90","","90","","779.98","0.06","123","2","123","2","","","101.3","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 N O3 -","- C7 H11 N O3 -","- C28 H44 N4 O12 -","4","1","","INADA, Aya; KANAZAWA, Hitoshi; UEKUSA, Hidehiro","Crystal Structure of <font size=-1>L</font>-Isoleucine <i>N</i>-Carboxy Anhydride","X-ray Structure Analysis Online","2015","31","0","17","","10.2116/xraystruct.31.17","","","1.54186","CuKα","","0.056","0.0484","","","0.1207","0.1332","","","","","","1.091","","","","has coordinates","216253","2020-10-21","18:00:00",""
"1551665","7.9393","0.0012","13.469","0.003","15.825","0.003","90","","90","","90","","1692.2","0.6","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O10 -","- C14 H20 O10 -","- C56 H80 O40 -","4","1","","MIURA, Daisuke; FUJIMOTO, Takashi; TASHIRO, Mitsuru; MACHINAMI, Tomoya","Crystal Structure of 1,3,4,5-Tetra-O-acetyl-^|^alpha;-D-tagatopyranose","X-ray Structure Analysis Online","2014","30","0","3","","10.2116/xraystruct.30.3","","","0.71075","MoKα","","","0.0313","","","","0.0845","","","","","","1.022","","","","has coordinates","216276","2020-10-21","18:00:00",""
"1551701","7.958","0.0004","14.011","0.0016","14.096","0.0014","90","","90","","90","","1571.7","0.3","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Bi Br5 N2 -","- C5 H16 Bi Br5 N2 -","- C20 H64 Bi4 Br20 N8 -","4","1","","OULED MOHAMED SGHAIER, Mohsen; ABDELHEDI, Mohamed; CHAABOUNI, Slaheddine","Synthesis and Crystal Structure of Penthylenediammonium pentabromobismutate(III) [NH3(CH2)5NH3]BiBr5","X-ray Structure Analysis Online","2012","28","","1","","10.2116/xraystruct.28.1","","","0.71073","MoKα","","0.0492","0.0492","","0.0547","0.0547","0.0547","","","","","","1.1721","","","","has coordinates","216313","2020-10-21","18:00:00",""
"1551741","7.8862","0.0002","17.6554","0.0003","20.0326","0.0005","90","","90","","90","","2789.22","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl -2-cyano-3,11-dioxo-urs-1,12-dien-24-oate","","- C32 H43 N O4 -","- C32 H43 N O4 -","- C128 H172 N4 O16 -","4","1","","KAPOOR, Kamini; GUPTA, Vivek K.; CHIB, Renu; SHAH, Bhahwal A.; TANEJA, Subhash C.","Crystal Structure of Methyl-2-cyano-3,11-dioxo-urs-1,12-dien-24-oate","X-ray Structure Analysis Online","2011","27","","43","","10.2116/xraystruct.27.43","","","0.71073","MoKα","","0.0468","0.0365","","","0.0784","0.0827","","","","","","1.001","","","","has coordinates","287903","2023-11-30","17:46:38",""
"1551752","8.8821","0.0011","15.1509","0.0018","30.928","0.004","90","","90","","90","","4162","0.9","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-Pro-Hyp-Gly-OMe","","- C18 H29 N3 O7 -","- C18 H29 N3 O7 -","- C144 H232 N24 O56 -","8","2","","ASANO, Akiko; IMORI, Kumiko; SAKAGUCHI, Noriko; DOI, Mitsunobu","Crystal Structure of t-Butyloxycarbonyl-L-prolyl-L-hydroxyprolyl-glicine methyl ester (Boc-Pro-Hyp-Gly-OMe)","X-ray Structure Analysis Online","2010","26","","53","","10.2116/xraystruct.26.53","","","0.71073","MoKα","","0.054","0.0454","","","0.1093","0.1128","","","","","","0.947","","","","has coordinates","275856","2022-06-07","07:08:26",""
"1551761","5.1383","0.0005","8.3301","0.0008","10.2492","0.001","90","","90","","90","","438.69","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","soduim dihydrogen phosphate-arsenate monohydrate","","- As0.5 H4 Na O5 P0.5 -","- As0.5083 H4 Na O5 P0.5083 -","- As2.0332 H16 Na4 O20 P2.0332 -","4","1","","JARRAYA, Khaled; ENNACEUR, Nasreddine; MHIRI, Tahar","Synthesis, Structural Study of Non-centrosymmetric NaH2(PO4)0.48(AsO4)0.52·H2O crystal","X-ray Structure Analysis Online","2010","26","","19","","10.2116/xraystruct.26.19","","","0.71073","MoKα","","0.0227","0.0189","","","0.0445","0.0453","","","","","","1.062","","","","has coordinates","216373","2020-10-21","18:00:00",""
"1551767","8.2837","0.0009","25.437","0.006","7.288","0.0007","90","","90","","90","","1535.7","0.4","298","4","298","3","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","(R)-nipecotic acid ethyl ester (R,R)-tartaric acid","(R)-nipecotic acid ethyl ester (R,R)-tartaric acid","","- C12 H21 N O8 -","- C12 H21 N O8 -","- C48 H84 N4 O32 -","4","1","","KIMINO, Taira; FUJII, Isao","Crystal Structure of (2R,3R)-Tartaric Acid Complex of (R)-Nipecotic Acid Ethyl Ester","X-ray Structure Analysis Online","2010","26","","11","","10.2116/xraystruct.26.11","","x-ray","1.54184","CuKα","","0.088","0.0797","","","0.2059","0.219","","","","","","1.092","","","","has coordinates","216379","2020-10-21","18:00:00",""
"1551774","7.182","0.001","11.1","0.001","20.644","0.002","90","","90","","90","","1645.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[2-(4-Acetoxy-3-methoxyphenyl)-ethyl]-benzothiazole","","- C18 H15 N O3 S -","- C18 H16 N O3 S -","- C72 H64 N4 O12 S4 -","4","1","","CONCEPCIÓN LOZADA, M.; ENRÍQUEZ, Raúl G.; ORTÍZ, Benjamin; GNECCO, Dino; SORIANO-GARCÍA, Manuel","Crystal Structure of an Unexpected Derivative of Curcumin: 2-[2-(4-Acetoxy-3-methoxyphenyl)ethyl]benzothiazole","X-ray Structure Analysis Online","2009","25","","97","","10.2116/xraystruct.25.97","","","0.71073","MoKα","","0.2662","0.0552","","","0.0553","0.0672","","","","","","0.94","","","","has coordinates,has disorder","216386","2020-10-21","18:00:00",""
"1551778","7.8481","0.0006","10.1203","0.0008","21.5728","0.0017","90","","90","","90","","1713.4","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C84 H76 N4 O20 -","4","1","","KAMIGAUCHI, Miyoko; MAEKAWA, Yukiko; IN, Yasuko; ISHIDA, Toshimasa","X-ray Structure Analysis of (d)-11-Oxo-corynoline, a Hexahydrobenzo[c]phenanthridine-type Alkaloid","X-ray Structure Analysis Online","2009","25","","87","","10.2116/xraystruct.25.87","","","0.71073","MoKα","","0.0496","0.0485","","","0.1214","0.1224","","","","","","1.184","","","","has coordinates","216390","2020-10-21","18:00:00",""
"1551800","6.2054","0.0009","10.4169","0.0013","23.696","0.002","90","","90","","90","","1531.7","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br N2 O3 S -","- C14 H13 Br N2 O3 S -","- C56 H52 Br4 N8 O12 S4 -","4","1","","TAI, Xishi; FENG, Yimin","Crystal Structure of N′-(5-Bromosalicylaldehyde)-4-toluene-sulfonylhydrazide","X-ray Structure Analysis Online","2009","25","","41","","10.2116/xraystruct.25.41","","","0.71073","MoKα","","0.1317","0.0797","","","0.177","0.202","","","","","","1.015","","","","has coordinates","216413","2020-10-21","18:00:00",""
"1551801","7.031","0.001","12.143","0.002","24.15","0.003","90","","90","","90","","2061.9","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17α-acetoxy-6,7-epoxypregn-4-ene-3,20-dione","","- C23 H30 O5 -","- C23 H30 O5 -","- C92 H120 O20 -","4","1","","SORIANO-GARCIA, Manuel; ZAMBRANO, Armando; CABEZA, Marisa; BRATOEFF, Eugene","Crystal Structure and Synthesis of 17α-Acetoxy-6,7-epoxypregn-4-ene-3,20-dione","X-ray Structure Analysis Online","2009","25","","61","","10.2116/xraystruct.25.61","","","0.71073","MoKα","","0.056","0.04","","","0.0821","0.0864","","","","","","0.907","","","","has coordinates","216414","2020-10-21","18:00:00",""
"1551834","7.95564","0.00014","16.3879","0.0003","26.8668","0.0005","90","","90","","90","","3502.79","0.11","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 Cl6 N2 O2 Os S -","- C35 H32 Cl6 N2 O2 Os S -","- C140 H128 Cl24 N8 O8 Os4 S4 -","4","1","","James P. C. Coverdale; Isolda Romero-Canelon; Carlos Sanchez-Cano; Guy J. Clarkson; Abraha Habtemariam; Martin Wills; Peter J. Sadler","Asymmetric transfer hydrogenation by synthetic catalysts in cancer cells","Nature Chemistry","2018","10","","347","354","10.1038/nchem.2918","","x-ray","0.71073","MoKα","","0.0436","0.0328","","","0.0539","0.057","","","","","","1.024","","","","has coordinates","216455","2020-10-21","18:00:00",""
"1551835","7.95923","0.00012","16.394","0.0003","26.878","0.0005","90","","90","","90","","3507.14","0.11","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 Cl6 N2 O2 Os S -","- C35 H32 Cl6 N2 O2 Os S -","- C140 H128 Cl24 N8 O8 Os4 S4 -","4","1","","James P. C. Coverdale; Isolda Romero-Canelon; Carlos Sanchez-Cano; Guy J. Clarkson; Abraha Habtemariam; Martin Wills; Peter J. Sadler","Asymmetric transfer hydrogenation by synthetic catalysts in cancer cells","Nature Chemistry","2018","10","","347","354","10.1038/nchem.2918","","x-ray","0.71073","MoKα","","0.0489","0.0361","","","0.0581","0.0623","","","","","","1.024","","","","has coordinates","216456","2020-10-21","18:00:00",""
"1551853","7.922","0.0002","18.8611","0.0004","19.2017","0.0005","90","","90","","90","","2869.07","0.12","293.15","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","2","","Sun, Fengna; Yang, Wan-Chun; Chen, Xiao-Bing; Sun, Yuli; Cao, Jian; Xu, Zheng; Xu, Li-Wen","Enantioselective Palladium/Copper-Catalyzed C-C Bond Activation Synergized with Sonogashira-Type C(sp3)-C(sp) Cross-Coupling Alkynylation","Chemical Science","2019","","","","","10.1039/C9SC02431J","","","1.54178","CuKα","","0.0325","0.0317","","","0.0867","0.0876","","","","","","1.049","","","","has coordinates","216486","2020-10-21","18:00:00",""
"1551878","20.515","0.003","28.04","0.004","35.607","0.005","90","","90","","90","","20483","5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C108 H129 N12 -","- C107.995 H116.5 N12 -","- C863.96 H932 N96 -","8","2","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.1101","0.0785","","","0.1999","0.2184","","","","","","1.286","","","","has coordinates,has disorder","216520","2020-10-21","18:00:00",""
"1551891","10.6934","0.0003","17.4932","0.0004","24.2485","0.0006","90","","90","","90","","4536","0.2","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 B F18 N O2 Si -","- C41.9996 H45.9992 B F18 N O1.9999 Si -","- C167.998 H183.997 B4 F72 N4 O7.9996 Si4 -","4","1","","Mattia Silvi; Charlie Verrier; Yannick P. Rey; Luca Buzzetti; Paolo Melchiorre","Visible-light excitation of iminium ions enables the enantioselective catalytic beta-alkylation of enals","Nature Chemistry","2017","9","","868","873","10.1038/nchem.2748","","","0.7107","MoKα","","0.1037","0.0783","","","0.2159","0.2302","","","","","","1.579","","","","has coordinates,has disorder","216533","2020-10-21","18:00:00",""
"1551958","8.0582","0.0002","13.8661","0.0002","24.9576","0.0005","90","","90","","90","","2788.66","0.1","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2CzSPz","2CzDPS","","- C36 H24 N2 O2 S2 -","- C36 H24 N2 O2 S2 -","- C144 H96 N8 O8 S8 -","4","1","","Yang, Zhan; Mao, Zhu; Xu, Chao; Chen, Xiaojie; Zhao, Juan; Yang, Zhiyong; Zhang, Yi; Wu, William; Jiao, Shibo; Liu, Yang; Aldred, Matthew Phillip; Chi, Zhenguo","A Sterically Hindered Asymmetric D-A-D' Thermally Activated Delayed Fluorescence Emitter for Highly-Efficient Non-doped Organic Light-Emitting Diodes","Chemical Science","2019","","","","","10.1039/C9SC01686D","","x-ray","1.54184","CuKα","","0.0405","0.0379","","","0.1049","0.1073","","","","","","1.076","","","","has coordinates","216719","2020-10-21","18:00:00",""
"1551959","7.0956","0.0002","11.5517","0.0003","24.171","0.0017","90","","90","","90","","1981.21","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Tatiana Caneque; Filipe Gomes; Trang Thi Mai; Giovanni Maestri; Max Malacria; Raphael Rodriguez","Synthesis of marmycin A and investigation into its cellular activity","Nature Chemistry","2015","7","","744","751","10.1038/nchem.2302","","","1.54187","CuKα","","0.1324","0.0612","","","0.1471","0.2174","","","","","","0.993","","","","has coordinates","216723","2020-10-21","18:00:00",""
"1551991","5.8389","0.0001","15.0931","0.0003","15.1405","0.0003","90","","90","","90","","1334.29","0.04","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Anna Michrowska; Benjamin List","Concise synthesis of ricciocarpin A and discovery of a more potent analogue","Nature Chemistry","2009","1","","225","228","10.1038/nchem.215","","","0.71073","MoKα","","0.0485","0.0422","","","0.1117","0.1154","","","","","","1.187","","","","has coordinates","216799","2020-10-21","18:00:00",""
"1551999","10.532","0.002","10.628","0.002","27.069","0.005","90","","90","","90","","3029.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 Cl2 N O4 -","- C30 H41 Cl2 N O4 -","- C120 H164 Cl8 N4 O16 -","4","1","","Jaya Prakash Das; Helena Chechik; Ilan Marek","A unique approach to aldol products for the creation of all-carbon quaternary stereocentres","Nature Chemistry","2009","1","","128","132","10.1038/nchem.131","","","0.71073","MoKα","","0.1554","0.0704","","","0.1695","0.1878","","","","","","0.872","","","","has coordinates","216807","2020-10-21","18:00:00",""
"1552000","10.136","0.002","11.062","0.002","24.411","0.005","90","","90","","90","","2737.1","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 N O4 -","- C29 H39 N O4 -","- C116 H156 N4 O16 -","4","1","","Jaya Prakash Das; Helena Chechik; Ilan Marek","A unique approach to aldol products for the creation of all-carbon quaternary stereocentres","Nature Chemistry","2009","1","","128","132","10.1038/nchem.131","","","0.71073","MoKα","","0.112","0.0502","","","0.1085","0.1205","","","","","","0.981","","","","has coordinates","216809","2020-10-21","18:00:00",""
"1552005","16.8587","0.0002","19.0488","0.0002","19.5197","0.0002","90","","90","","90","","6268.52","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H94 B2 Ge2 N6 -","- C63 H94 B2 Ge2 N6 -","- C252 H376 B8 Ge8 N24 -","4","1","","Arnab Rit; Jesus Campos; Haoyu Niu; Simon Aldridge","A stable heavier group 14 analogue of vinylidene","Nature Chemistry","2016","8","","1022","1026","10.1038/nchem.2597","","","1.5418","CuKα","","0.0297","0.029","","","0.0975","0.0992","","","","","","0.883","","","","has coordinates,has disorder","216814","2020-10-21","18:00:00",""
"1552018","7.6536","","3.2888","","4.5277","","90","","90","","90","","113.967","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- O3 Xe -","- O3 Xe -","- O12 Xe4 -","4","1","","Agnes Dewaele; Nicholas Worth; Chris J. Pickard; Richard J. Needs; Sakura Pascarelli; Olivier Mathon; Mohamed Mezouar; Tetsuo Irifune","Synthesis and stability of xenon oxides Xe2O5 and Xe3O2 under pressure","Nature Chemistry","2016","8","","784","790","10.1038/nchem.2528","","","","","","","","","","","","","","","","","","","","","has coordinates","216827","2020-10-21","18:00:00",""
"1552022","11.0067","0.0004","11.0733","0.0004","13.4281","0.0004","90","","90","","90","","1636.62","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br F O S -","- C19 H14 Br F O S -","- C76 H56 Br4 F4 O4 S4 -","4","1","","Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa","A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle","Nature Chemistry","2016","8","","860","866","10.1038/nchem.2543","","","0.71073","MoKα","","0.0159","0.0152","","","0.0387","0.0389","","","","","","1.101","","","","has coordinates","216831","2020-10-21","18:00:00",""
"1552023","7.3598","0.0003","14.3822","0.0004","15.5984","0.0005","90","","90","","90","","1651.09","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br F O S -","- C19 H14 Br F O S -","- C76 H56 Br4 F4 O4 S4 -","4","1","","Beatrice S. L. Collins; Jos C. M. Kistemaker; Edwin Otten; Ben L. Feringa","A chemically powered unidirectional rotary molecular motor based on a palladium redox cycle","Nature Chemistry","2016","8","","860","866","10.1038/nchem.2543","","","0.71073","MoKα","","0.0227","0.0209","","","0.0481","0.0491","","","","","","1.095","","","","has coordinates","216832","2020-10-21","18:00:00",""
"1552067","8.9133","0.0003","12.178","0.0005","12.9803","0.0005","90","","90","","90","","1408.96","0.09","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.0335","0.0309","","","0.0823","0.0833","","","","","","1.082","","","","has coordinates","216885","2020-10-21","18:00:00",""
"1552110","13.7288","0.0001","16.0095","0.0001","18.8692","0.0002","90","","90","","90","","4147.28","0.06","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H51 O19 P V6 -","- C30 H51 O19 P V6 -","- C120 H204 O76 P4 V24 -","4","1","","Petel, Brittney E.; Meyer, Rachel L.; Brennessel, William W.; Matson, Ellen","Oxygen atom transfer with organofunctionalized polyoxovanadium clusters: O-atom vacancy formation with tertiary phosphines and deoxygenation of styrene oxide","Chemical Science","2019","","","","","10.1039/C9SC02882J","","x-ray","1.54184","CuKα","","0.0417","0.0395","","","0.1074","0.1088","","","","","","1.09","","","","has coordinates","217045","2020-10-21","18:00:00",""
"1552113","17.667","0.0004","12.8871","0.0003","11.7476","0.0003","90","","90","","90","","2674.65","0.11","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate","","- C22 H26 Br2 Cl2 N4 O Pd -","- C22 H26 Br2 Cl2 N4 O Pd -","- C88 H104 Br8 Cl8 N16 O4 Pd4 -","4","1","RZ4032","Liu, Qilin; Mao, Pu; Yuan, Jinwei; Xiao, Yongmei; Yang, Liangru","Dibromido[<i>N</i>-(1-diethylamino-1-oxo-3-phenylpropan-2-yl)-<i>N</i>'-(pyridin-2-yl)imidazol-2-ylidene]palladium(II) dichloromethane monosolvate","IUCrData","2019","4","7","x190899","","10.1107/S241431461900899X","","x-ray","1.54184","CuKα","","0.0551","0.0486","","","0.1293","0.1379","","","","","","1.031","","","","has coordinates,has Fobs","217103","2020-10-21","18:00:00",""
"1552132","5.767","0.0003","8.1908","0.0003","31.6737","0.0009","90","","90","","90","","1496.15","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine","","- C16 H19 N Se -","- C16 H19 N Se -","- C64 H76 N4 Se4 -","4","1","HB4305","Prabhu Kumar, K. M.; Palakshamurthy, B. S.; Jasinski, J. P.; Butcher, R. J.; Raghavendra Kumar, P.","(<i>S</i>)-1-(Benzylselanyl)-3-phenylpropan-2-amine","IUCrData","2019","4","7","x191029","","10.1107/S2414314619010290","","","1.54178","CuKα","","0.0469","0.0414","","","0.1173","0.1221","","","","","","1.086","","","","has coordinates,has Fobs","217282","2020-10-21","18:00:00",""
"1552159","10.8329","0.0005","11.8131","0.0005","17.8655","0.0008","90","","90","","90","","2286.25","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 P3 Ti -","- C22 H37 P3 Ti -","- C88 H148 P12 Ti4 -","4","1","","Schumann, André; Reiß, Fabian; Jiao, Haijun; Rabeah, Jabor; Siewert, Jan-Erik; Krummenacher, Ivo; Braunschweig, Holger; Hering-Junghans, Christian","A selective route to aryl-triphosphiranes and their titanocene-induced fragmentation","Chemical Science","2019","","","","","10.1039/C9SC02322D","","","0.71073","MoKα","","0.0332","0.0295","","","0.066","0.0683","","","","","","1.023","","","","has coordinates","217441","2020-10-21","18:00:00",""
"1552163","6.2462","0.0005","7.5477","0.0006","31.123","0.002","90","","90","","90","","1467.28","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Li, Junhua; Wei, Jialiang; Zhu, Bencong; Wang, Teng; Jiao, Ning","Cu-catalyzed Oxygenation of Alkene-tethered Amides with O2 via Unactivated C=C Bond Cleavage: A Direct Approach to Cyclic Imides","Chemical Science","2019","","","","","10.1039/C9SC03175H","","","0.71073","MoKα","","0.0659","0.0429","","","0.0891","0.0972","","","","","","1.051","","","","has coordinates","217442","2020-10-21","18:00:00",""
"1552165","10.02984","0.00008","10.88201","0.00008","30.5021","0.0002","90","","90","","90","","3329.15","0.04","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 N2 O11 -","- C36 H36 N2 O11 -","- C144 H144 N8 O44 -","4","1","","Correa, Arkaitz; San Segundo, Marcos","Pd-Catalyzed Site-Selective C(sp2)‒H Radical Acylation of Phenylalanine Containing Peptides with Aldehydes","Chemical Science","2019","","","","","10.1039/C9SC03425K","","x-ray","1.54184","CuKα","","0.0315","0.0301","","","0.0738","0.0749","","","","","","1.054","","","","has coordinates","217457","2020-10-21","18:00:00",""
"1552241","7.5533","0.0002","9.7486","0.0002","29.0797","0.0006","90","","90","","90","","2141.26","0.08","125","2","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O7 S -","- C22 H24 N2 O7 S -","- C88 H96 N8 O28 S4 -","4","1","","Brown, Ronald W.; Zamani, Farzad; Gardiner, Michael G.; Yu, Haibo; Pyne, Stephen G.; Hyland, Christopher J. T.","Divergent Pd-catalyzed cross-coupling of allenyloxazolidinones to give chiral 1,3-dienes and vinyloxazolidinones","Chemical Science","2019","","","","","10.1039/C9SC03215K","","","1.54178","CuKα","","0.038","0.0367","","","0.0921","0.0931","","","","","","1.097","","","","has coordinates","217567","2020-10-21","18:00:00",""
"1552251","5.9409","0.0002","10.8429","0.0002","32.9352","0.0005","90","","90","","90","","2121.57","0.09","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 F N O2 -","- C28 H20 F N O2 -","- C112 H80 F4 N4 O8 -","4","1","","Li, Chao; Cao, Yi-Xuan; Jin, Ruoxing; Bian, Kang-Jie; Qin, Zi-Yang; Lan, Quan; Wang, Xi-Sheng","Highly Stereoselective Nickel-Catalyzed Difluoroalkylation of Aryl Ketones to Tetrasubstituted Monofluoroalkenes and Quaternary Alkyl Difluorides","Chemical Science","2019","","","","","10.1039/C9SC02806D","","","1.54184","CuKα","","0.0457","0.0438","","","0.1031","0.1041","","","","","","1.02","","","","has coordinates","217623","2020-10-21","18:00:00",""
"1552254","13.3252","0.0003","13.3891","0.0003","37.2399","0.0009","90","","90","","90","","6644.1","0.3","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C67 H65 B F24 Ir N P2 -","- C67 H65 B F24 Ir N P2 -","- C268 H260 B4 F96 Ir4 N4 P8 -","4","1","","Lindley, Brian; Walden, Andrew G.; Brasacchio, Ann Marie; Casuras, Andrea; Lease, Nicholas; Chen, Chun-Hsing; Goldman, Alan S.; Miller, Alexander James Minden","Electrochemical C‒H Bond Activation via Cationic Iridium Hydride Pincer Complexes","Chemical Science","2019","","","","","10.1039/C9SC03076J","","","1.5418","CuKα","","0.0451","0.0424","","0.1021","0.1003","0.1021","","","","","","0.9984","","","","has coordinates,has disorder","217624","2020-10-21","18:00:00",""
"1552280","9.3571","0.0004","17.0983","0.0008","34.3432","0.0016","90","","90","","90","","5494.6","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N4 O3 S Sn -","- C28 H26 N4 O3 S Sn -","- C224 H208 N32 O24 S8 Sn8 -","8","2","","Wang, Jin; Wang, Ting; Fang, Yan; Lu, Yanli; Li, Xue","Tin thiocarbonohydrazone complexes: synthesis, crystal structures and biological evaluation","Toxicology Research","2019","","","","","10.1039/C9TX00109C","","","0.71073","MoKα","","0.0823","0.0433","","","0.0682","0.0779","","","","","","0.937","","","","has coordinates","217893","2020-10-21","18:00:00",""
"1552297","9.3713","0.0002","14.1059","0.0003","15.7347","0.0004","90","","90","","90","","2079.98","0.08","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Poly[diaqua[μ-<i>D</i>-(+)-glucosammonium]tri-μ-thiocyanato-thiocyanatocobalt(II)potassium(I)]","","- C10 H18 Co K N5 O7 S4 -","- C10 H18 Co K N5 O7 S4 -","- C40 H72 Co4 K4 N20 O28 S16 -","4","1","WM4108","Peppel, Tim; Detert, Sabine M. L.; Vogel, Christian; Köckerling, Martin","Crystal structure of a salt with a protonated sugar cation and a cobalt(II) complex anion: (GlcN‒H, K)[Co(NCS)~4~]·2H~2~O","IUCrData","2019","4","9","x191142","","10.1107/S2414314619011428","","","0.71073","MoKα","","0.061","0.0376","","","0.0539","0.0583","","","","","","0.98","","","","has coordinates,has Fobs","218068","2020-10-21","18:00:00",""
"1552311","5.8845","0.0001","13.8755","0.0002","21.6675","0.0003","90","","90","","90","","1769.16","0.05","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","","Cheng, Cang; Wan, Bin; Zhou, Bo; Gu, Yichao; Zhang, Yanghui","Enantioselective synthesis of quaternary 3,4-dihydroisoquinolinones via Heck carbonylation reactions: development and application to the synthesis of Minalrestat analogues","Chemical Science","2019","","","","","10.1039/C9SC03406D","","x-ray","1.54184","CuKα","","0.0291","0.028","","","0.0708","0.0715","","","","","","1.044","","","","has coordinates","218142","2020-10-21","18:00:00",""
"1552314","8.3913","0.0002","11.3601","0.0003","15.8756","0.0004","90","","90","","90","","1513.36","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,1,3,3-Tetramethyldisila-2-oxa[3]nickelocenophane","","- C14 H20 Ni O Si2 -","- C14 H20 Ni O Si2 -","- C56 H80 Ni4 O4 Si8 -","4","1","","Musgrave, Rebecca A.; Hailes, Rebekah L. N.; Annibale, Vincent T.; Manners, Ian","Role of torsional strain in the ring-opening polymerisation of low strain [n]nickelocenophanes","Chemical Science","2019","","","","","10.1039/C9SC02624J","","","0.71073","MoKα","","0.0258","0.0227","","","0.0507","0.0519","","","","","","1.015","","","","has coordinates","218143","2020-10-21","18:00:00",""
"1552324","5.79782","0.00009","7.59133","0.00014","63.3743","0.0011","90","","90","","90","","2789.3","0.08","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C136 H120 Br8 O8 -","8","2","","Sherburn, Michael; George, Josemon; Ward, Jas S.","A General Synthesis of Dendralenes","Chemical Science","2019","","","","","10.1039/C9SC03976G","","x-ray","1.54184","CuKα","","0.0607","0.0603","","","0.1306","0.1307","","","","","","1.311","","","","has coordinates","218236","2020-10-21","18:00:00",""
"1552339","5.3689","0.0003","10.4011","0.0006","27.498","0.0015","90","","90","","90","","1535.56","0.15","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Yang, Jian; Ruan, Peiran; Yang, Wei; Feng, Xiaoming; Liu, Xiaohua","Enantioselective carbene insertion into N‒H bond of benzophenone imine","Chemical Science","2019","","","","","10.1039/C9SC03354H","","","1.54178","CuKα","","0.0352","0.0342","","","0.086","0.0868","","","","","","1.087","","","","has coordinates","218510","2020-10-21","18:00:00",""
"1552340","11.3578","0.0002","16.004","0.0002","16.8541","0.0002","90","","90","","90","","3063.57","0.08","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 N4 O -","- C34 H46 N4 O -","- C136 H184 N16 O4 -","4","1","","Yang, Jian; Ruan, Peiran; Yang, Wei; Feng, Xiaoming; Liu, Xiaohua","Enantioselective carbene insertion into N‒H bond of benzophenone imine","Chemical Science","2019","","","","","10.1039/C9SC03354H","","","1.54178","CuKα","","0.0433","0.0418","","","0.1071","0.1101","","","","","","1.058","","","","has coordinates","218510","2020-10-21","18:00:00",""
"1552366","6.7708","0.0006","10.8979","0.001","19.414","0.002","90","","90","","90","","1432.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O -","- C18 H22 O -","- C72 H88 O4 -","4","1","","Wright, Austin C.; Stoltz, Brian M.","Enantioselective Construction of the Tricyclic Core of Curcusones A‒D via a Cross-electrophile Coupling Approach","Chemical Science","2019","","","","","10.1039/C9SC04127C","","","1.54178","CuKα","","0.0283","0.0282","","","0.0699","0.07","","","","","","1.059","","","","has coordinates","218984","2020-10-21","18:00:00",""
"1552392","6.0379","0.0003","10.4847","0.0005","16.1404","0.0008","90","","90","","90","","1021.78","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","","Dyachenko , Natalia V.; Khoroshutin, Andrey V.; Sotnikova, Yulia; Karnoukhova, Valentina A.; Tokarev, Sergey; Anisimov, Alexander V.; Fedorov, Yury V.; Fedorova, Olga","Synthesis of the fused heterocyclic systems via Mallory photoreaction of arylthienylethenes","Photochemical & Photobiological Sciences","2019","","","","","10.1039/C9PP00289H","","","0.71073","MoKα","","0.0343","0.0307","","","0.0767","0.0793","","","","","","1.021","","","","has coordinates","219175","2020-10-21","18:00:00",""
"1552403","5.9035","0.001","8.3771","0.0016","21.98","0.004","90","","90","","90","","1087","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N2 O -","- C11 H18 N2 O -","- C44 H72 N8 O4 -","4","1","LQ5023","Wang, Na; Huang, Xin; Chen, Lihang; Yang, Jinyue; Li, Xin; Ma, Jiayuan; Bao, Ying; Li, Fei; Yin, Qiuxiang; Hao, Hongxun","Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol‒piperazine","IUCrJ","2019","6","6","","","10.1107/S2052252519012363","","","0.71073","MoKα","","0.0278","0.0273","","","0.0754","0.0758","","","","","","1.071","","","","has coordinates","219188","2020-10-21","18:00:00",""
"1552404","5.1427","0.0006","7.2141","0.0009","27.595","0.003","90","","90","","90","","1023.8","0.2","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C7 H4 Cl F3 I N O S -","- C7 H4 Cl F3 I N O S -","- C28 H16 Cl4 F12 I4 N4 O4 S4 -","4","1","","Kalim, Jorna; Duhail, Thibaut; Le, Thanh-Nghi; Vanthuyne, Nicolas; Anselmi, Elsa; Togni, Antonio; Magnier, Emmanuel","Merging hypervalent iodine and sulfoximine chemistry: a new electrophilic trifluoromethylation reagent","Chemical Science","2019","","","","","10.1039/C9SC04289J","","x-ray","0.71073","MoKα","","0.0328","0.0321","","","0.069","0.0692","","","","","","1.201","","","","has coordinates","219227","2020-10-21","18:00:00",""
"1552449","11.1499","0.0005","17.6614","0.0008","19.2232","0.0006","90","","90","","90","","3785.5","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 N2 P3 -","- C41 H49 N2 P3 -","- C164 H196 N8 P12 -","4","1","","Ghadwal, Rajendra S.; Rottschäfer, Dennis; Blomeyer, Sebastian; Neumann, Beate; Stammler, Georg","Direct functionalization of white phosphorus with anionic dicarbenes and mesoionic carbenes: Facile access to 1,2,3-triphosphol-2-ides","Chemical Science","2019","","","","","10.1039/C9SC04441H","","x-ray","1.54184","CuKα","","0.0566","0.0509","","","0.1214","0.1253","","","","","","1.037","","","","has coordinates,has disorder","219431","2020-10-21","18:00:00",""
"1552456","8.97942","0.00005","10.9358","0.00006","27.051","0.00016","90","","90","","90","","2656.33","0.03","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 F3 N2 O5 -","- C31 H23 F3 N2 O5 -","- C124 H92 F12 N8 O20 -","4","1","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","","1.54184","CuKα","","0.0268","0.0267","","","0.0699","0.07","","","","","","1.067","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552478","9.5647","0.00006","11.59555","0.00008","15.6161","0.00011","90","","90","","90","","1731.95","0.02","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Decacarbonyl(μ-ethylidenimino-1κ<i>N</i>:2κ<i>C</i>)-μ-hydrido-<i>triangulo</i>-triosmium(3 <i>Os</i>‒<i>Os</i>)","","- C12 H5 N O10 Os3 -","- C12 H5 N O10 Os3 -","- C48 H20 N4 O40 Os12 -","4","1","WM4114","Powell, Cynthia B.; Powell, Gregory L.; Archambeau, Ashley K.; Wilson, Kylie M.","Decacarbonyl(μ-ethylidenimino-1κ<i>N</i>:2κ<i>C</i>)-μ-hydrido-<i>triangulo</i>-triosmium(3<i>Os</i>‒<i>Os</i>)","IUCrData","2019","4","10","x191386","","10.1107/S2414314619013865","","x-ray","1.54184","CuKα","","0.0153","0.0152","","","0.0368","0.0368","","","","","","1.06","","","","has coordinates,has Fobs","225387","2020-10-21","18:00:00",""
"1552482","7.144","0.0002","17.6831","0.0005","18.5462","0.0005","90","","90","","90","","2342.91","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N3 O4 -","- C26 H29 N3 O4 -","- C104 H116 N12 O16 -","4","1","","Zhang, Peng; Yuan, Xiao-Long; Du, Yong-Mei; Zhang, Huai-Bao; Shen, Guo-Ming; Zhang, Zhong-Feng; Liang, Yu-Jun; Zhao, Dong-Lin; Xu, Kuo","Angularly Prenylated Indole Alkaloids with Antimicrobial and Insecticidal Activities from an Endophytic Fungus <i>Fusarium sambucinum</i> TE-6L.","Journal of agricultural and food chemistry","2019","67","43","11994","12001","10.1021/acs.jafc.9b05827","","","1.54184","CuKα","","0.0472","0.0432","","","0.1162","0.119","","","","","","1.052","","","","has coordinates,has disorder","223213","2020-10-21","18:00:00",""
"1552491","5.7488","0.0001","9.3963","0.0002","27.2172","0.0007","90","","90","","90","","1470.2","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O5 -","- C14.003 H22.006 O5.001 -","- C56.012 H88.024 O20.004 -","4","1","","Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D.","High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT).","Journal of medicinal chemistry","2019","","","","","10.1021/acs.jmedchem.9b01238","","","1.54178","CuKα","","0.0402","0.0396","","","0.106","0.1066","","","","","","1.085","","","","has coordinates,has disorder","219595","2020-10-21","18:00:00",""
"1552502","7.7975","0.0002","12.7667","0.0003","16.0617","0.0004","90","","90","","90","","1598.92","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O6 -","- C20 H18 O6 -","- C80 H72 O24 -","4","1","","Zhao, Dong-Lin; Cao, Fei; Wang, Chao-Yi; Yang, Lu-Jia; Shi, Ting; Wang, Kai-Ling; Shao, Chang-Lun; Wang, Chang-Yun","Alternatone A, an Unusual Perylenequinone-Related Compound from a Soft-Coral-Derived Strain of the Fungus Alternaria alternata","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00905","","","1.54178","CuKα","","0.0287","0.0285","","","0.0785","0.0789","","","","","","1.07","","","","has coordinates","220504","2020-10-21","18:00:00",""
"1552551","9.8947","0.0004","10.6554","0.0004","19.0286","0.0008","90","","90","","90","","2006.22","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-Hydroxy-4,8-dimethyl-3'-phenyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one-12-spiro-5'-isoxazole monohydrate","","- C22 H27 N O6 -","- C22 H27 N O6 -","- C88 H108 N4 O24 -","4","1","HB4321","Outahar, Fatima; Hannioui, Abdellah; Rakib, El Mostapha; Akssira, Mohamed; Saadi, Mohamed; El Ammari, Lahcen","9α-Hydroxy-4,8-dimethyl-3'-phenyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one-12-spiro-5'-isoxazole monohydrate","IUCrData","2019","4","10","x191408","","10.1107/S2414314619014081","","","0.71073","MoKα","","0.0555","0.0421","","","0.0995","0.1068","","","","","","1.035","","","","has coordinates,has Fobs","221330","2020-10-21","18:00:00",""
"1552553","6.4844","0.0006","8.7749","0.0008","39.69","0.004","90","","90","","90","","2258.4","0.4","170","2","169.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N O5 -","- C23 H27 Cl N O5 -","- C92 H108 Cl4 N4 O20 -","4","1","","Tang, Jia-Lin; Zhou, Zong-Yuan; Yang, Tao; Yao, Can; Wu, Lin-Wei; Li, Guo-You","Azaphilone Alkaloids with Anti-inflammatory Activity from Fungus Penicillium sclerotiorum cib-411.","Journal of agricultural and food chemistry","2019","67","8","2175","2182","10.1021/acs.jafc.8b05628","","","0.71073","MoKα","","0.1569","0.1441","","","0.3532","0.3645","","","","","","1.075","","","","has coordinates,has disorder","222056","2020-10-21","18:00:00",""
"1552562","5.8735","0.0002","13.5166","0.0005","14.1374","0.0005","90","","90","","90","","1122.36","0.07","293.55","0.1","293.55","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 F2 N2 O5 -","- C10 H12 F2 N2 O5 -","- C40 H48 F8 N8 O20 -","4","1","","Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin","Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues.","Journal of medicinal chemistry","2019","62","13","6346","6362","10.1021/acs.jmedchem.9b00781","","x-ray","1.54184","CuKα","","0.0318","0.0307","","","0.0803","0.0813","","","","","","1.0649","","","","has coordinates","222072","2020-10-21","18:00:00",""
"1552564","5.3744","0.0004","13.834","0.001","28.1059","0.0019","90","","90","","90","","2089.7","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O5 -","- C24 H26 N2 O5 -","- C96 H104 N8 O20 -","4","1","","Mir, Fatemeh M.; Atmuri, N. D. Prasad; Bourguet, Carine B.; Fores, Jennifer Rodon; Hou, Xin; Chemtob, Sylvain; Lubell, William D.","Paired Utility of Aza-Amino Acyl Proline and Indolizidinone Amino Acid Residues for Peptide Mimicry: Conception of Prostaglandin F2α Receptor Allosteric Modulators That Delay Preterm Birth.","Journal of medicinal chemistry","2019","62","9","4500","4525","10.1021/acs.jmedchem.9b00056","","x-ray","1.34139","GaKα","","0.0737","0.062","","","0.1591","0.1702","","","","","","1.088","","","","has coordinates","222074","2020-10-21","18:00:00",""
"1552567","6.2391","0.0001","13.5298","0.0001","17.8216","0.0002","90","","90","","90","","1504.39","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Zhang, Di; Yi, Wenwen; Ge, Hengju; Zhang, Zhizhen; Wu, Bin","Bioactive Streptoglutarimides A-J from the Marine-Derived <i>Streptomyces</i> sp. ZZ741.","Journal of natural products","2019","82","10","2800","2808","10.1021/acs.jnatprod.9b00481","","x-ray","1.54184","CuKα","","0.0334","0.0328","","","0.0854","0.086","","","","","","1.05","","","","has coordinates","222088","2020-10-21","18:00:00",""
"1552568","7.3328","0.0003","16.9299","0.0008","21.8307","0.0009","90","","90","","90","","2710.1","0.2","295.72","0.11","295.72","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","1","","Wei, Wen-Jun; Song, Qiu-Yan; Ying, Jin-Chuan; Li, Hang-Ying; Ma, Kai-Liang; Li, Yida; Li, Ya; Gao, Kun","Highly Oxygenated Triterpenoids and Rare Tetraterpenoids from <i>Abies chensiensis</i> and Their Antibacterial Activity.","Journal of natural products","2019","82","10","2859","2869","10.1021/acs.jnatprod.9b00616","","","1.54184","CuKα","","0.0544","0.0415","","","0.0976","0.1075","","","","","","1.037","","","","has coordinates","222089","2020-10-21","18:00:00",""
"1552570","6.86011","0.00011","12.7036","0.0002","31.2318","0.0005","90","","90","","90","","2721.79","0.08","295.53","0.1","295.53","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O5 -","- C30 H46 O5 -","- C120 H184 O20 -","4","1","","Wei, Wen-Jun; Song, Qiu-Yan; Ying, Jin-Chuan; Li, Hang-Ying; Ma, Kai-Liang; Li, Yida; Li, Ya; Gao, Kun","Highly Oxygenated Triterpenoids and Rare Tetraterpenoids from <i>Abies chensiensis</i> and Their Antibacterial Activity.","Journal of natural products","2019","82","10","2859","2869","10.1021/acs.jnatprod.9b00616","","","1.54184","CuKα","","0.0344","0.0331","","","0.086","0.0871","","","","","","1.074","","","","has coordinates","222091","2020-10-21","18:00:00",""
"1552574","10.8456","0.0003","14.0649","0.0004","17.0765","0.0005","90","","90","","90","","2604.89","0.13","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 N O6 -","- C30 H39 N O6 -","- C120 H156 N4 O24 -","4","1","","Chen, Shu-Rong; Wang, Shih-Wei; Chang, Fang-Rong; Cheng, Yuan-Bin","Anti-Lymphangiogenic Alkaloids from the Zoanthid <i>Zoanthus vietnamensis</i> Collected in Taiwan.","Journal of natural products","2019","82","10","2790","2799","10.1021/acs.jnatprod.9b00451","","","0.71073","MoKα","","0.0765","0.0492","","","0.0941","0.1058","","","","","","1.004","","","","has coordinates","222095","2020-10-21","18:00:00",""
"1552575","8.2532","0.0001","9.8316","0.0001","37.9017","0.0004","90","","90","","90","","3075.43","0.06","100","0.1","100","0.1","","","","","","","Euphorbia helioscopia","3","P 21 21 21","P 2ac 2ab","19","epieuphoscopin A","epieuphoscopin A","","- C32 H44 O9 -","- C32 H44 O9 -","- C128 H176 O36 -","4","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0422","0.0412","","","0.1187","0.1197","","","","","","1.087","","","","has coordinates","222096","2020-10-21","18:00:00",""
"1552577","10.083","0.0001","12.1398","0.0001","25.8853","0.0004","90","","90","","90","","3168.51","0.06","100","0.1","100","0.1","","","","","","","Euphorbia helioscopia","3","P 21 21 21","P 2ac 2ab","19","euphornin H","euphornin H","","- C33 H42 O9 -","- C33 H42 O9 -","- C132 H168 O36 -","4","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0293","0.0286","","","0.0752","0.0758","","","","","","1.03","","","","has coordinates","222098","2020-10-21","18:00:00",""
"1552578","7.9611","0.0003","12.8686","0.0005","25.9554","0.0009","90","","90","","90","","2659.08","0.17","178","3","178","3","","","","","","","Euphorbia helioscopia","3","P 21 21 21","P 2ac 2ab","19","Euphoscopoid D","Euphoscopoid D","","- C29 H34 O7 -","- C29 H34 O7 -","- C116 H136 O28 -","4","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0621","0.0434","","","0.0864","0.0924","","","","","","1.004","","","","has coordinates","222099","2020-10-21","18:00:00",""
"1552581","8.3164","0.0002","9.9841","0.0002","38.0533","0.0009","90","","90","","90","","3159.63","0.12","99.99","0.1","99.99","0.1","","","","","","","Euphorbia helioscopia","3","P 21 21 21","P 2ac 2ab","19","epieuphoscopin B","epieuphoscopin B","","- C33 H42 O9 -","- C33 H42 O9 -","- C132 H168 O36 -","4","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.0605","0.0577","","","0.1335","0.135","","","","","","1.162","","","","has coordinates","222102","2020-10-21","18:00:00",""
"1552583","10.4846","0.0007","13.8805","0.001","24.7259","0.0012","90","","90","","90","","3598.4","0.4","100","0.1","100","0.1","","","","","","","Euphorbia helioscopia","4","P 21 21 21","P 2ac 2ab","19","Heliojatrone C","Heliojatrone C","","- C34 H43 Cl3 O9 -","- C34 H43 Cl3 O9 -","- C136 H172 Cl12 O36 -","4","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","x-ray","1.54184","CuKα","","0.041","0.0377","","","0.098","0.1009","","","","","","1.02","","","","has coordinates","222104","2020-10-21","18:00:00",""
"1552584","8.83142","0.0001","18.1776","0.0002","22.9178","0.0003","90","","90","","90","","3679.09","0.08","173","0.1","173","0.1","","","","","","","Euphorbia helioscopia","3","P 21 21 21","P 2ac 2ab","19","euphoscopin C","euphoscopin C","","- C38 H44 O9 -","- C38 H44 O9 -","- C152 H176 O36 -","4","1","","Su, Jun-Cheng; Cheng, Wen; Song, Jian-Guo; Zhong, Yuan-Lin; Huang, Xiao-Jun; Jiang, Ren-Wang; Li, Yao-Lan; Li, Man-Mei; Ye, Wen-Cai; Wang, Ying","Macrocyclic Diterpenoids from <i>Euphorbia helioscopia</i> and Their Potential Anti-inflammatory Activity.","Journal of natural products","2019","82","10","2818","2827","10.1021/acs.jnatprod.9b00519","","","1.54184","CuKα","","0.0466","0.0447","","","0.1157","0.1181","","","","","","1.035","","","","has coordinates","222105","2020-10-21","18:00:00",""
"1552586","7.6334","0.00019","9.1599","0.0003","31.784","0.0007","90","","90","","90","","2222.37","0.1","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","1","","Liu, Mengting; Sun, Weiguang; Shen, Ling; Hao, Xincai; Al Anbari, Weaam Hasan; Lin, Shuang; Li, Huaqiang; Gao, Weixi; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Bipolaricins A-I, Ophiobolin-Type Tetracyclic Sesterterpenes from a Phytopathogenic <i>Bipolaris</i> sp. Fungus.","Journal of natural products","2019","82","10","2897","2906","10.1021/acs.jnatprod.9b00744","","x-ray","1.54184","CuKα","","0.0458","0.0442","","","0.1138","0.1156","","","","","","1.047","","","","has coordinates","222107","2020-10-21","18:00:00",""
"1552587","6.25416","0.00008","14.0422","0.0002","24.9184","0.0003","90","","90","","90","","2188.39","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 O4 -","- C25 H36 O4 -","- C100 H144 O16 -","4","1","","Liu, Mengting; Sun, Weiguang; Shen, Ling; Hao, Xincai; Al Anbari, Weaam Hasan; Lin, Shuang; Li, Huaqiang; Gao, Weixi; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Bipolaricins A-I, Ophiobolin-Type Tetracyclic Sesterterpenes from a Phytopathogenic <i>Bipolaris</i> sp. Fungus.","Journal of natural products","2019","82","10","2897","2906","10.1021/acs.jnatprod.9b00744","","x-ray","1.54184","CuKα","","0.0463","0.0423","","","0.1104","0.1131","","","","","","1.051","","","","has coordinates,has disorder","222108","2020-10-21","18:00:00",""
"1552588","6.0289","0.0001","14.166","0.0002","25.7023","0.0002","90","","90","","90","","2195.12","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 O5 -","- C25 H36 O5 -","- C100 H144 O20 -","4","1","","Liu, Mengting; Sun, Weiguang; Shen, Ling; Hao, Xincai; Al Anbari, Weaam Hasan; Lin, Shuang; Li, Huaqiang; Gao, Weixi; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Bipolaricins A-I, Ophiobolin-Type Tetracyclic Sesterterpenes from a Phytopathogenic <i>Bipolaris</i> sp. Fungus.","Journal of natural products","2019","82","10","2897","2906","10.1021/acs.jnatprod.9b00744","","x-ray","1.54184","CuKα","","0.046","0.0454","","","0.1195","0.12","","","","","","1.047","","","","has coordinates,has disorder","222109","2020-10-21","18:00:00",""
"1552589","7.21184","0.00012","8.2575","0.00015","29.7262","0.0005","90","","90","","90","","1770.25","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O6 -","- C21 H21 N O6 -","- C84 H84 N4 O24 -","4","1","","Zhang, Chun-Lei; Huang, Qi-Long; Chen, Juan; Zhang, Wan-Jin; Jin, Hai-Xiao; Wang, Hong-Bo; Naman, C. Benjamin; Cao, Zheng-Yu","Phthalideisoquinoline Hemiacetal Alkaloids from <i>Corydalis decumbens</i> That Inhibit Spontaneous Calcium Oscillations, Including Alkyl Derivatives of (+)-Egenine That Are Strikingly Levorotatory.","Journal of natural products","2019","82","10","2713","2720","10.1021/acs.jnatprod.9b00247","","x-ray","1.54184","CuKα","","0.0351","0.0349","","","0.0894","0.0895","","","","","","1.085","","","","has coordinates","222110","2020-10-21","18:00:00",""
"1552592","5.5027","0.0004","7.9285","0.0005","36.706","0.002","90","","90","","90","","1601.42","0.18","152","2","152","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 O6 -","- C19 H16 O6 -","- C76 H64 O24 -","4","1","","Phukhamsakda, Chayanard; Macabeo, Allan Patrick G.; Huch, Volker; Cheng, Tian; Hyde, Kevin D.; Stadler, Marc","Sparticolins A-G, Biologically Active Oxidized Spirodioxynaphthalene Derivatives from the Ascomycete <i>Sparticola junci</i>.","Journal of natural products","2019","82","10","2878","2885","10.1021/acs.jnatprod.9b00604","","","1.54178","CuKα","","0.0244","0.0244","","","0.064","0.064","","","","","","1.063","","","","has coordinates","222113","2020-10-21","18:00:00",""
"1552593","9.2167","0.0003","12.1536","0.0004","28.4981","0.0008","90","","90","","90","","3192.25","0.17","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","HQT59","","","- C32 H40 O13 -","- C32 H40 O13 -","- C128 H160 O52 -","4","1","","Zhou, Le; He, Qing-Jun; Lu, Li-Wei; Zhao, Feng; Zhang, Yan; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang","Tripterfordins A-O, Dihydro-β-agarofuran Sesquiterpenoids from the Leaves of <i>Tripterygium wilfordii</i>.","Journal of natural products","2019","82","10","2696","2706","10.1021/acs.jnatprod.9b00089","","","1.54178","CuKα","","0.034","0.0323","","","0.0795","0.0814","","","","","","1.044","","","","has coordinates","222114","2020-10-21","18:00:00",""
"1552594","12.8834","0.0003","14.4364","0.0004","16.8811","0.0005","90","","90","","90","","3139.71","0.15","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","HQT58","","","- C32 H40 O13 -","- C32 H40 O13 -","- C128 H160 O52 -","4","1","","Zhou, Le; He, Qing-Jun; Lu, Li-Wei; Zhao, Feng; Zhang, Yan; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang","Tripterfordins A-O, Dihydro-β-agarofuran Sesquiterpenoids from the Leaves of <i>Tripterygium wilfordii</i>.","Journal of natural products","2019","82","10","2696","2706","10.1021/acs.jnatprod.9b00089","","","1.54178","CuKα","","0.0278","0.0274","","","0.0687","0.0691","","","","","","1.041","","","","has coordinates","222115","2020-10-21","18:00:00",""
"1552596","9.482","0.0013","13.0317","0.0015","26.09","0.004","90","","90","","90","","3223.9","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","SY1","","","- C32 H40 O12 -","- C32 H40 O12 -","- C128 H160 O48 -","4","1","","Zhou, Le; He, Qing-Jun; Lu, Li-Wei; Zhao, Feng; Zhang, Yan; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang","Tripterfordins A-O, Dihydro-β-agarofuran Sesquiterpenoids from the Leaves of <i>Tripterygium wilfordii</i>.","Journal of natural products","2019","82","10","2696","2706","10.1021/acs.jnatprod.9b00089","","","1.54184","CuKα","","0.0392","0.0372","","","0.1212","0.1254","","","","","","1.041","","","","has coordinates","222117","2020-10-21","18:00:00",""
"1552598","12.4671","0.0002","15.1639","0.0003","15.7932","0.0004","90","","90","","90","","2985.7","0.11","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 O11 -","- C32 H36 O10.374 -","- C128 H144 O41.496 -","4","1","","Solipeta, Divya Reddy; Bandi, Siva; Vemulapalli, Sahithya Phani Babu; Pallavi, Preethi M. C.; Vemireddy, Sravanthi; Balasubramania, Sridhar; Mahabalarao, Sampath Kumar H.; Katragadda, Suresh Babu","Secophragmalin-Type Limonoids from <i>Trichilia connaroides</i>: Isolation, Semisynthesis, and Their Cytotoxic Activities.","Journal of natural products","2019","82","10","2731","2743","10.1021/acs.jnatprod.9b00346","","","0.71073","MoKα","","0.1007","0.055","","","0.1253","0.1477","","","","","","1.014","","","","has coordinates","222119","2020-10-21","18:00:00",""
"1552611","8.7254","0.0002","9.37661","0.00018","22.1794","0.0004","90","","90","","90","","1814.6","0.06","181","2","181","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","1.54184","CuKα","","0.0341","0.0339","","","0.0886","0.0888","","","","","","1.0597","","","","has coordinates","222133","2020-10-21","18:00:00",""
"1552614","6.9779","0.0005","13.5032","0.0014","18.7701","0.0018","90","","90","","90","","1768.6","0.3","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","1.54184","CuKα","","0.06","0.0509","","","0.1453","0.1597","","","","","","0.9893","","","","has coordinates","222136","2020-10-21","18:00:00",""
"1552615","10.2255","0.0002","11.9121","0.0003","17.5037","0.0004","90","","90","","90","","2132.08","0.08","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O7 -","- C22 H38 O7 -","- C88 H152 O28 -","4","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","x-ray","1.54184","CuKα","","0.032","0.0307","","","0.0775","0.0787","","","","","","1.074","","","","has coordinates","222137","2020-10-21","18:00:00",""
"1552619","9.9612","0.0003","10.7479","0.0003","18.3511","0.0007","90","","90","","90","","1964.71","0.11","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 O7 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Niu, Siwen; Xia, Jin-Mei; Li, Zengpeng; Yang, Long-He; Yi, Zhi-Wei; Xie, Chun-Lan; Peng, Guizhen; Luo, Zhu-Hua; Shao, Zongze; Yang, Xian-Wen","Aphidicolin Chemistry of the Deep-Sea-Derived Fungus <i>Botryotinia fuckeliana</i> MCCC 3A00494.","Journal of natural products","2019","82","8","2307","2331","10.1021/acs.jnatprod.9b00705","","","1.54184","CuKα","","0.0342","0.0296","","","0.071","0.0747","","","","","","0.9693","","","","has coordinates","222141","2020-10-21","18:00:00",""
"1552621","13.98385","0.00005","14.15826","0.00005","36.36322","0.00012","90","","90","","90","","7199.44","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26.33333 H32.33333 N3 O4.33333 -","- C26.3333 H32.3333 N3 O4.33333 -","- C316 H388 N36 O52 -","12","3","","Li, Huaqiang; Xu, Dan; Sun, Weiguang; Yang, Beiye; Li, Fengli; Liu, Mengting; Wang, Jianping; Xue, Yongbo; Hu, Zhengxi; Zhang, Yonghui","HPLC-DAD-Directed Isolation of Linearly Fused Prenylated Indole Alkaloids from a Soil-Derived <i>Aspergillus versicolor</i>.","Journal of natural products","2019","82","8","2181","2188","10.1021/acs.jnatprod.9b00183","","","1.54184","CuKα","","0.0374","0.0369","","","0.1022","0.1027","","","","","","1.027","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1552623","6.28231","0.00002","18.57951","0.00006","21.81012","0.00008","90","","90","","90","","2545.73","0.015","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N3 O6 -","- C27 H35 N3 O6 -","- C108 H140 N12 O24 -","4","1","","Li, Huaqiang; Xu, Dan; Sun, Weiguang; Yang, Beiye; Li, Fengli; Liu, Mengting; Wang, Jianping; Xue, Yongbo; Hu, Zhengxi; Zhang, Yonghui","HPLC-DAD-Directed Isolation of Linearly Fused Prenylated Indole Alkaloids from a Soil-Derived <i>Aspergillus versicolor</i>.","Journal of natural products","2019","82","8","2181","2188","10.1021/acs.jnatprod.9b00183","","x-ray","1.54184","CuKα","","0.0291","0.0287","","","0.0762","0.0765","","","","","","1.027","","","","has coordinates,has disorder","222145","2020-10-21","18:00:00",""
"1552624","7.8303","0.0002","10.9599","0.0002","28.0066","0.0006","90","","90","","90","","2403.51","0.09","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 O4 -","- C30 H34 O4 -","- C120 H136 O16 -","4","1","","Cheenpracha, Sarot; Pyne, Stephen G.; Patrick, Brian O.; Andersen, Raymond J.; Maneerat, Wisanu; Laphookhieo, Surat","Mallopenins A-E, Antibacterial Phenolic Derivatives from the Fruits of <i>Mallotus philippensis</i>.","Journal of natural products","2019","82","8","2174","2180","10.1021/acs.jnatprod.9b00182","","x-ray","1.54178","CuKα","","0.0324","0.0314","","","0.0783","0.079","","","","","","1.061","","","","has coordinates","222146","2020-10-21","18:00:00",""
"1552628","6.8238","0.001","11.3682","0.0018","17.66","0.003","90","","90","","90","","1370","0.4","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Inose, Kota; Tanaka, Kazuaki; Yamada, Takeshi; Koshino, Hiroyuki; Hashimoto, Masaru","Isolation of Peribysins O, P, and Q from Periconia macrospinosa KT3863 and Configurational Reinvestigation of Peribysin E Diacetate from Periconia byssoides OUPS-N133.","Journal of natural products","2019","82","4","911","918","10.1021/acs.jnatprod.8b01001","","","0.71075","MoKα","","0.0873","0.0498","","","0.1106","0.1709","","","","","","1.081","","","","has coordinates","222151","2020-10-21","18:00:00",""
"1552631","9.9837","0.0006","14.7826","0.0009","27.9856","0.0017","90","","90","","90","","4130.3","0.4","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 O13 -","- C42 H48 O13 -","- C168 H192 O52 -","4","1","","Hasan, Aobulikasimu; Liu, Ge-Yu; Hu, Rui; Aisa, H. A.","Jatrophane Diterpenoids from Euphorbia glomerulans.","Journal of natural products","2019","82","4","724","734","10.1021/acs.jnatprod.8b00507","","","1.54184","CuKα","","0.0539","0.0441","","","0.1216","0.1305","","","","","","1.022","","","","has coordinates","222154","2020-10-21","18:00:00",""
"1552640","11.0126","0.0004","15.0348","0.0011","23.3914","0.0012","90","","90","","90","","3873","0.4","142","5","142","5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Polyervinine","","","- C43 H46 N4 O10 -","- C43 H46 N4 O10 -","- C172 H184 N16 O40 -","4","1","","Sim, Dawn Su-Yin; Navanesan, Suerialoasan; Sim, Kae-Shin; Gurusamy, Subramaniam; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok","Conolodinines A-D, Aspidosperma- Aspidosperma Bisindole Alkaloids with Antiproliferative Activity from Tabernaemontana corymbosa.","Journal of natural products","2019","82","4","850","858","10.1021/acs.jnatprod.8b00919","","","1.54178","CuKα","","0.0878","0.0606","","","0.1426","0.1595","","","","","","1.055","","","","has coordinates","222163","2020-10-21","18:00:00",""
"1552641","6.8076","0.0001","14.3592","0.0002","15.3172","0.0002","90","","90","","90","","1497.28","0.04","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","lycogladine H","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C68 H92 N4 O12 -","4","1","","Yeap, Joanne Soon-Yee; Lim, Kuan-Hon; Yong, Kien-Thai; Lim, Siew-Huah; Kam, Toh-Seok; Low, Yun-Yee","Lycopodium Alkaloids: Lycoplatyrine A, an Unusual Lycodine-Piperidine Adduct from Lycopodium platyrhizoma and the Absolute Configurations of Lycoplanine D and Lycogladine H.","Journal of natural products","2019","82","2","324","329","10.1021/acs.jnatprod.8b00754","","","1.54184","CuKα","","0.041","0.0399","","","0.1057","0.1073","","","","","","1.047","","","","has coordinates","222164","2020-10-21","18:00:00",""
"1552642","7.3734","0.0002","11.8187","0.0003","15.8275","0.0004","90","","90","","90","","1379.27","0.06","168","1","168","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","hydroxy-des-N-methyl-α-obscurine","","","- C16 H24 N2 O2 -","- C16 H24 N2 O2 -","- C64 H96 N8 O8 -","4","1","","Yeap, Joanne Soon-Yee; Lim, Kuan-Hon; Yong, Kien-Thai; Lim, Siew-Huah; Kam, Toh-Seok; Low, Yun-Yee","Lycopodium Alkaloids: Lycoplatyrine A, an Unusual Lycodine-Piperidine Adduct from Lycopodium platyrhizoma and the Absolute Configurations of Lycoplanine D and Lycogladine H.","Journal of natural products","2019","82","2","324","329","10.1021/acs.jnatprod.8b00754","","","1.54184","CuKα","","0.0365","0.0343","","","0.0878","0.0901","","","","","","1.062","","","","has coordinates","222165","2020-10-21","18:00:00",""
"1552643","10.07035","0.00013","12.689","0.0002","21.834","0.0004","90","","90","","90","","2790.01","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 O9 -","- C32 H36 O9 -","- C128 H144 O36 -","4","1","","Bai, Bai; Ye, Shao-Xia; Yang, De-Po; Zhu, Long-Ping; Tang, Gui-Hua; Chen, Yun-Yun; Li, George Qian; Zhao, Zhi-Min","Chloraserrtone A, a Sesquiterpenoid Dimer from Chloranthus serratus.","Journal of natural products","2019","82","2","407","411","10.1021/acs.jnatprod.8b00418","","x-ray","1.54184","CuKα","","0.0549","0.0481","","","0.1184","0.1262","","","","","","1.073","","","","has coordinates,has disorder","222166","2020-10-21","18:00:00",""
"1552646","7.6392","0.0007","8.9874","0.0008","20.4621","0.0017","90","","90","","90","","1404.9","0.2","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Jaidee, Wuttichai; Andersen, Raymond J.; Chavez, Miguel A. G.; Wang, Yan A.; Patrick, Brian O.; Pyne, Stephen G.; Muanprasat, Chatchai; Borwornpinyo, Suparerk; Laphookhieo, Surat","Amides and Flavonoids from the Fruit and Leaf Extracts of Melodorum siamensis.","Journal of natural products","2019","82","2","283","292","10.1021/acs.jnatprod.8b00696","","x-ray","1.54178","CuKα","","0.0365","0.0328","","","0.0809","0.0839","","","","","","1.072","","","","has coordinates","222169","2020-10-21","18:00:00",""
"1552652","26.368","0.005","8.2584","0.0015","14.127","0.003","90","","90","","90","","3076.3","1","170","2","169.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O8 -","- C30 H42 O8 -","- C120 H168 O32 -","4","1","","Cui, Jiao-Jiao; Ji, Kai-Long; Liu, Hong-Chun; Zhou, Bin; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Zhao, Jin-Xin; Yue, Jian-Min","Cytotoxic Tigliane Diterpenoids from Croton damayeshu.","Journal of natural products","2019","82","6","1550","1557","10.1021/acs.jnatprod.9b00042","","","1.34139","GaKα","","0.1981","0.0973","","","0.2289","0.3019","","","","","","0.958","","","","has coordinates","222175","2020-10-21","18:00:00",""
"1552653","9.4458","0.0002","9.5339","0.0002","24.499","0.0005","90","","90","","90","","2206.27","0.08","170","2","169.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C100 H136 O24 -","4","1","","Cui, Jiao-Jiao; Ji, Kai-Long; Liu, Hong-Chun; Zhou, Bin; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Zhao, Jin-Xin; Yue, Jian-Min","Cytotoxic Tigliane Diterpenoids from Croton damayeshu.","Journal of natural products","2019","82","6","1550","1557","10.1021/acs.jnatprod.9b00042","","","1.34139","GaKα","","0.0387","0.0384","","","0.0992","0.0995","","","","","","1.094","","","","has coordinates","222176","2020-10-21","18:00:00",""
"1552654","9.4658","0.0006","13.6587","0.0008","28.643","0.002","90","","90","","90","","3703.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 N O11 -","- C40 H44 N O11 -","- C160 H176 N4 O44 -","4","1","","Nothias-Esposito, Mélissa; Nothias, Louis Felix; Da Silva, Ricardo R.; Retailleau, Pascal; Zhang, Zheng; Leyssen, Pieter; Roussi, Fanny; Touboul, David; Paolini, Julien; Dorrestein, Pieter C.; Litaudon, Marc","Investigation of Premyrsinane and Myrsinane Esters in Euphorbia cupanii and Euphobia pithyusa with MS2LDA and Combinatorial Molecular Network Annotation Propagation.","Journal of natural products","2019","82","6","1459","1470","10.1021/acs.jnatprod.8b00916","","","1.54187","CuKα","","0.2273","0.0674","","","0.1224","0.1822","","","","","","0.9","","","","has coordinates","222177","2020-10-21","18:00:00",""
"1552655","9.5854","0.0009","17.8136","0.0017","21.264","0.002","90","","90","","90","","3630.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 N O11 -","- C39 H43 N O11 -","- C156 H172 N4 O44 -","4","1","","Nothias-Esposito, Mélissa; Nothias, Louis Felix; Da Silva, Ricardo R.; Retailleau, Pascal; Zhang, Zheng; Leyssen, Pieter; Roussi, Fanny; Touboul, David; Paolini, Julien; Dorrestein, Pieter C.; Litaudon, Marc","Investigation of Premyrsinane and Myrsinane Esters in Euphorbia cupanii and Euphobia pithyusa with MS2LDA and Combinatorial Molecular Network Annotation Propagation.","Journal of natural products","2019","82","6","1459","1470","10.1021/acs.jnatprod.8b00916","","","1.54187","CuKα","","0.1198","0.0389","","","0.0659","0.0861","","","","","","0.855","","","","has coordinates","222178","2020-10-21","18:00:00",""
"1552656","9.5382","0.0003","13.4084","0.0004","28.913","0.002","90","","90","","90","","3697.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 O11 -","- C40 H44 O11 -","- C160 H176 O44 -","4","1","","Nothias-Esposito, Mélissa; Nothias, Louis Felix; Da Silva, Ricardo R.; Retailleau, Pascal; Zhang, Zheng; Leyssen, Pieter; Roussi, Fanny; Touboul, David; Paolini, Julien; Dorrestein, Pieter C.; Litaudon, Marc","Investigation of Premyrsinane and Myrsinane Esters in Euphorbia cupanii and Euphobia pithyusa with MS2LDA and Combinatorial Molecular Network Annotation Propagation.","Journal of natural products","2019","82","6","1459","1470","10.1021/acs.jnatprod.8b00916","","","1.54187","CuKα","","0.1448","0.055","","","0.1291","0.1937","","","","","","0.999","","","","has coordinates","222179","2020-10-21","18:00:00",""
"1552657","10.1182","0.0002","13.8736","0.0002","24.3877","0.0017","90","","90","","90","","3423.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 O10 -","- C38 H44 O10 -","- C152 H176 O40 -","4","1","","Nothias-Esposito, Mélissa; Nothias, Louis Felix; Da Silva, Ricardo R.; Retailleau, Pascal; Zhang, Zheng; Leyssen, Pieter; Roussi, Fanny; Touboul, David; Paolini, Julien; Dorrestein, Pieter C.; Litaudon, Marc","Investigation of Premyrsinane and Myrsinane Esters in Euphorbia cupanii and Euphobia pithyusa with MS2LDA and Combinatorial Molecular Network Annotation Propagation.","Journal of natural products","2019","82","6","1459","1470","10.1021/acs.jnatprod.8b00916","","","1.54187","CuKα","","0.0958","0.0373","","","0.0795","0.1127","","","","","","0.998","","","","has coordinates","222180","2020-10-21","18:00:00",""
"1552660","9.0757","0.0002","10.2698","0.0002","16.8446","0.0003","90","","90","","90","","1570.01","0.05","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Ge, Zhan-Peng; Liu, Hong-Chun; Wang, Guo-Cai; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Fan, Yao-Yue; Yue, Jian-Min","17- nor-Cephalotane-Type Diterpenoids from Cephalotaxus fortunei.","Journal of natural products","2019","82","6","1565","1575","10.1021/acs.jnatprod.9b00059","","","1.34139","GaKα","","0.0329","0.0317","","","0.0815","0.0825","","","","","","1.054","","","","has coordinates","222185","2020-10-21","18:00:00",""
"1552661","7.6465","0.0001","12.9601","0.0002","15.2245","0.0003","90","","90","","90","","1508.74","0.04","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 O5 -","- C19 H19 O5 -","- C76 H76 O20 -","4","1","","Ge, Zhan-Peng; Liu, Hong-Chun; Wang, Guo-Cai; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Fan, Yao-Yue; Yue, Jian-Min","17- nor-Cephalotane-Type Diterpenoids from Cephalotaxus fortunei.","Journal of natural products","2019","82","6","1565","1575","10.1021/acs.jnatprod.9b00059","","","1.34139","GaKα","","0.0363","0.0358","","","0.1021","0.1028","","","","","","1.083","","","","has coordinates","222186","2020-10-21","18:00:00",""
"1552662","10.0126","0.0003","11.8286","0.0004","12.3462","0.0004","90","","90","","90","","1462.22","0.08","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Ge, Zhan-Peng; Liu, Hong-Chun; Wang, Guo-Cai; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Fan, Yao-Yue; Yue, Jian-Min","17- nor-Cephalotane-Type Diterpenoids from Cephalotaxus fortunei.","Journal of natural products","2019","82","6","1565","1575","10.1021/acs.jnatprod.9b00059","","","1.34139","GaKα","","0.0332","0.0304","","","0.0713","0.0733","","","","","","1.107","","","","has coordinates","222187","2020-10-21","18:00:00",""
"1552663","7.095","0.0002","9.6876","0.0002","22.3117","0.0005","90","","90","","90","","1533.56","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Ge, Zhan-Peng; Liu, Hong-Chun; Wang, Guo-Cai; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Fan, Yao-Yue; Yue, Jian-Min","17- nor-Cephalotane-Type Diterpenoids from Cephalotaxus fortunei.","Journal of natural products","2019","82","6","1565","1575","10.1021/acs.jnatprod.9b00059","","","1.54178","CuKα","","0.0345","0.0329","","","0.0892","0.091","","","","","","1.052","","","","has coordinates","222188","2020-10-21","18:00:00",""
"1552665","9.1487","0.0007","10.3308","0.0007","20.0261","0.0014","90","","90","","90","","1892.7","0.2","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","","Reinhardt, Jakob K.; Klemd, Amy M.; Danton, Ombeline; De Mieri, Maria; Smieško, Martin; Huber, Roman; Bürgi, Thomas; Gründemann, Carsten; Hamburger, Matthias","Sesquiterpene Lactones from Artemisia argyi: Absolute Configuration and Immunosuppressant Activity.","Journal of natural products","2019","82","6","1424","1433","10.1021/acs.jnatprod.8b00791","","","1.54178","CuKα","","0.0477","0.0473","","0.0499","0.0496","0.0495","","","","","","1.0832","","","","has coordinates,has disorder","222190","2020-10-21","18:00:00",""
"1552673","6.833","0.0003","13.3504","0.0005","19.1573","0.0009","90","","90","","90","","1747.59","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Hanthanong, Sujitra; Choodej, Siwattra; Teerawatananond, Thapong; Pudhom, Khanitha","Rearranged Clerodane Diterpenoids from the Stems of Tinospora baenzigeri.","Journal of natural products","2019","82","6","1405","1411","10.1021/acs.jnatprod.8b00483","","","0.71073","MoKα","","0.0468","0.0418","","","0.1068","0.1119","","","","","","0.945","","","","has coordinates","222198","2020-10-21","18:00:00",""
"1552676","7.6111","0.0003","14.1236","0.0006","25.26","0.0012","90","","90","","90","","2715.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Au-46","(1S,3aS,3bR,5S,5aS,6S,7R,8R,10aR,10bS)-1-isopropyl-3a,5a,8,10b-tetramethyl-1,2,3,3a,3b,4,5,5a,6,7,8,9,10,10a,10b,11-hexadecahydro-6,8-epoxycyclohepta[a]cyclopenta[f]naphthalene-5,7-diol","","- C26 H41 Cl3 O3 -","- C26 H41 Cl3 O3 -","- C104 H164 Cl12 O12 -","4","1","","Li, Yue-Lan; Gao, Yun; Liu, Chun-Yu; Sun, Chun-Jing; Zhao, Zun-Tian; Lou, Hong-Xiang","Asperunguisins A-F, Cytotoxic Asperane Sesterterpenoids from the Endolichenic Fungus Aspergillus unguis.","Journal of natural products","2019","82","6","1527","1534","10.1021/acs.jnatprod.8b01066","","","1.54178","CuKα","","0.0869","0.0581","","","0.107","0.1209","","","","","","1.061","","","","has coordinates","222201","2020-10-21","18:00:00",""
"1552677","7.1434","0.0005","12.5507","0.0007","24.8837","0.0015","90","","90","","90","","2230.9","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Au-14","(1S,3aS,3bR,5S,5aS,6S,7S,10aR,10bS)-1-isopropyl-3a,5a,10b-trimethyl-8-methylene-1,2,3,3a,3b,4,5,5a,6,7,8,9,10,10a,10b,11-hexadecahydrocyclohepta[a]cyclopenta[f]naphthalene-5,6,7-triol","","- C25 H40 O3 -","- C25 H40 O3 -","- C100 H160 O12 -","4","1","","Li, Yue-Lan; Gao, Yun; Liu, Chun-Yu; Sun, Chun-Jing; Zhao, Zun-Tian; Lou, Hong-Xiang","Asperunguisins A-F, Cytotoxic Asperane Sesterterpenoids from the Endolichenic Fungus Aspergillus unguis.","Journal of natural products","2019","82","6","1527","1534","10.1021/acs.jnatprod.8b01066","","","1.54178","CuKα","","0.1441","0.1249","","","0.3165","0.333","","","","","","1.273","","","","has coordinates","222202","2020-10-21","18:00:00",""
"1552680","8.6893","0.0003","15.2942","0.0006","16.9431","0.0006","90","","90","","90","","2251.67","0.14","150","2","150.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O8 -","- C24 H29 N O8 -","- C96 H116 N4 O32 -","4","1","","da Silva, Alison B.; Silveira, Edilberto R.; Wilke, Diego V.; Ferreira, Elhton G.; Costa-Lotufo, Leticia V; Torres, Maria Conceição M; Ayala, Alejandro Pedro; Costa, Wendell S.; Canuto, Kirley M.; de Araújo-Nobre, Alyne R; Araújo, Ana Jérsia; Filho, José Delano B Marinho; Pessoa, Otilia Deusdenia L.","Antibacterial Salinaphthoquinones from a Strain of the Bacterium <i>Salinispora arenicola</i> Recovered from the Marine Sediments of St. Peter and St. Paul Archipelago, Brazil.","Journal of natural products","2019","82","7","1831","1838","10.1021/acs.jnatprod.9b00062","","","1.54178","CuKα","","0.1298","0.0715","","","0.1876","0.2318","","","","","","1.045","","","","has coordinates","222205","2020-10-21","18:00:00",""
"1552685","12.043","0.002","12.546","0.003","23.192","0.005","90","","90","","90","","3504.1","1.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C160 H256 O24 -","8","2","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","","1.54178","CuKα","","0.0323","0.0318","","","0.0959","0.097","","","","","","1.05","","","","has coordinates","222210","2020-10-21","18:00:00",""
"1552687","7.18422","0.00008","9.88369","0.0001","24.9753","0.0003","90","","90","","90","","1773.41","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","x-ray","1.54184","CuKα","","0.0316","0.0311","","","0.0786","0.0789","","","","","","1.077","","","","has coordinates","222212","2020-10-21","18:00:00",""
"1552689","7.4666","0.0001","9.3339","0.0001","24.8537","0.0002","90","","90","","90","","1732.12","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","x-ray","1.54184","CuKα","","0.0275","0.0265","","","0.069","0.0695","","","","","","1.048","","","","has coordinates","222214","2020-10-21","18:00:00",""
"1552690","7.0243","0.0002","10.7505","0.0003","24.3048","0.0007","90","","90","","90","","1835.37","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O6 -","- C20 H32 O6 -","- C80 H128 O24 -","4","1","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","","1.54178","CuKα","","0.0425","0.0371","","","0.0847","0.0879","","","","","","1.064","","","","has coordinates","222215","2020-10-21","18:00:00",""
"1552691","6.19529","0.00004","12.69397","0.00008","22.16712","0.00014","90","","90","","90","","1743.29","0.019","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Sun, Na; Zheng, Guijuan; He, Meijun; Feng, Yuanyuan; Liu, Junjun; Wang, Meicheng; Zhang, Hanqi; Zhou, Junfei; Yao, Guangmin","Grayanane Diterpenoids from the Leaves of <i>Rhododendron auriculatum</i> and Their Analgesic Activities.","Journal of natural products","2019","82","7","1849","1860","10.1021/acs.jnatprod.9b00095","","x-ray","1.54184","CuKα","","0.0273","0.0264","","","0.069","0.0695","","","","","","1.017","","","","has coordinates","222216","2020-10-21","18:00:00",""
"1552692","12.1967","0.0002","16.4091","0.0003","47.1373","0.001","90","","90","","90","","9433.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 N O4 -","- C34 H41 N O4 -","- C408 H492 N12 O48 -","12","3","","Chen, Yan; Liu, Zhaoming; Huang, Yun; Liu, Lan; He, Jianguo; Wang, Lan; Yuan, Jie; She, Zhigang","Ascomylactams A-C, Cytotoxic 12- or 13-Membered-Ring Macrocyclic Alkaloids Isolated from the Mangrove Endophytic Fungus <i>Didymella</i> sp. CYSK-4, and Structure Revisions of Phomapyrrolidones A and C.","Journal of natural products","2019","82","7","1752","1758","10.1021/acs.jnatprod.8b00918","","","1.54178","CuKα","","0.0731","0.0563","","","0.1312","0.1392","","","","","","1.016","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1552695","8.7681","0.0001","10.5647","0.0002","23.8071","0.0002","90","","90","","90","","2205.31","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 O6 -","- C23 H36 O6 -","- C92 H144 O24 -","4","1","","Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus <i>Stachybotrys chartarum</i>.","Journal of natural products","2019","82","7","1923","1929","10.1021/acs.jnatprod.9b00305","","","1.54178","CuKα","","0.0287","0.028","","","0.0721","0.0725","","","","","","1.059","","","","has coordinates,has disorder","222220","2020-10-21","18:00:00",""
"1552697","8.03171","0.0001","9.21545","0.0001","24.1141","0.0002","90","","90","","90","","1784.82","0.03","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Yang, Beiye; He, Yan; Lin, Shuang; Zhang, Jinwen; Li, Huaqiang; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Antimicrobial Dolabellanes and Atranones from a Marine-Derived Strain of the Toxigenic Fungus <i>Stachybotrys chartarum</i>.","Journal of natural products","2019","82","7","1923","1929","10.1021/acs.jnatprod.9b00305","","x-ray","1.54184","CuKα","","0.0256","0.0255","","","0.0666","0.0666","","","","","","1.044","","","","has coordinates","222222","2020-10-21","18:00:00",""
"1552703","9.06338","0.00013","10.86547","0.00013","17.5252","0.0002","90","","90","","90","","1725.84","0.04","293.68","0.1","293.68","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N3 O5 -","- C15 H23 N3 O5 -","- C60 H92 N12 O20 -","4","1","","Xu, Cheng-Dong; Zhang, Hao-Jian; Ma, Zhong-Jun","Pyrimidine Nucleosides from <i>Streptomyces</i> sp. SSA28.","Journal of natural products","2019","82","9","2509","2516","10.1021/acs.jnatprod.9b00260","","x-ray","1.54184","CuKα","","0.0427","0.0413","","","0.1049","0.1057","","","","","","1.18","","","","has coordinates","222229","2020-10-21","18:00:00",""
"1552706","11.2119","0.0003","16.0871","0.0005","18.4518","0.0006","90","","90","","90","","3328.1","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 F3 O4 -","- C38 H53 F3 O4 -","- C152 H212 F12 O16 -","4","1","","Kazakova, Oxana B.; Khusnutdinova, Elmira F.; Petrova, Anastasiya V.; Yamansarov, Emil Yu; Lobov, Alexander N.; Fedorova, Alexandra A.; Suponitsky, Kyrill Yu","Diastereoselective Synthesis of Triterpenoid 1,2,4-Trioxolanes by Griesbaum Co-ozonolysis.","Journal of natural products","2019","82","9","2550","2558","10.1021/acs.jnatprod.9b00393","","","0.71073","MoKα","","0.0516","0.0422","","","0.1081","0.1143","","","","","","1.032","","","","has coordinates","222232","2020-10-21","18:00:00",""
"1552707","11.2776","0.0005","13.5246","0.0006","17.7209","0.0008","90","","90","","90","","2702.9","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 O3 -","- C31 H48 O3 -","- C124 H192 O12 -","4","1","","Kazakova, Oxana B.; Khusnutdinova, Elmira F.; Petrova, Anastasiya V.; Yamansarov, Emil Yu; Lobov, Alexander N.; Fedorova, Alexandra A.; Suponitsky, Kyrill Yu","Diastereoselective Synthesis of Triterpenoid 1,2,4-Trioxolanes by Griesbaum Co-ozonolysis.","Journal of natural products","2019","82","9","2550","2558","10.1021/acs.jnatprod.9b00393","","","0.71073","MoKα","","0.0319","0.0307","","","0.0826","0.0845","","","","","","1.04","","","","has coordinates","222233","2020-10-21","18:00:00",""
"1552711","7.7213","0.0003","10.2396","0.0004","22.5926","0.0008","90","","90","","90","","1786.24","0.12","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O3 Se -","- C21 H22 O3 Se -","- C84 H88 O12 Se4 -","4","1","","Chinchilla, Nuria; Santana, Alejandro; Varela, Rosa M.; Fronczek, Frank R.; Molinillo, José M G; Macías, Francisco A","Preparation and Phytotoxicity Evaluation of 11,13-Dehydro <i>seco</i>-Guaianolides.","Journal of natural products","2019","82","9","2501","2508","10.1021/acs.jnatprod.9b00285","","","0.71073","MoKα","","0.0205","0.0185","","","0.0422","0.0425","","","","","","1.003","","","","has coordinates","222237","2020-10-21","18:00:00",""
"1552734","4.7435","0.0001","12.9275","0.0002","22.1367","0.0004","90","","90","","90","","1357.46","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-dihydroxyterephthalaldehyde","2,3-dihydroxybenzene-1,4-dicarbaldehyde","","- C8 H6 O4 -","- C8 H6 O4 -","- C64 H48 O32 -","8","2","","Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz","Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).","The journal of physical chemistry. A","2019","123","40","8674","8689","10.1021/acs.jpca.9b07360","","x-ray","1.54184","CuKα","","0.0294","0.0283","","","0.0738","0.0748","","","","","","1.05","","","","has coordinates","223165","2020-10-21","18:00:00",""
"1552751","7.77446","0.00008","13.53787","0.00011","20.2762","0.0002","90","","90","","90","","2134.06","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 N O2 -","- C25 H41 N O2 -","- C100 H164 N4 O8 -","4","1","","Xiang, Zhi-Nan; Yi, Wen-Qin; Wang, Yong-Long; Shao, Li-Dong; Zhang, Cheng-Qi; Yuan, Yan; Pan, Jun; Wan, Luo-Sheng; Chen, Jia-Chun","Buxaustroines A-N, a Series of 17(13\ρightarrow 18)<i>abeo</i>-Cycloartenol Triterpenoidal Alkaloids from <i>Buxus austro-yunnanensis</i> and Their Cardioprotective Activities.","Journal of natural products","2019","82","11","3111","3120","10.1021/acs.jnatprod.9b00652","","x-ray","1.54184","CuKα","","0.0338","0.0337","","","0.0883","0.0884","","","","","","1.065","","","","has coordinates","246569","2020-10-21","18:00:00",""
"1552764","10.649","0.004","14.86","0.007","32.973","0.012","90","","90","","90","","5218","4","100","","99.96","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C58 H57 B2 F8 N3 O P2 Pd -","- C58 H57 B2 F8 N3 O P2 Pd -","- C232 H228 B8 F32 N12 O4 P8 Pd4 -","4","1","","Chen, Zhongxiang; Yang, Mingxue; Sun, Zhaofeng; Zhang, Xuebo; Xu, Jing; Bian, Guangling; Song, Ling","Chiral Discrimination by A Binuclear Pd Complex Sensor using <sup>31</sup>P{<sup>1</sup>H} NMR.","Analytical chemistry","2019","","","","","10.1021/acs.analchem.9b03661","","","0.71073","MoKα","","0.0513","0.0404","","","0.0769","0.0815","","","","","","1.038","","","","has coordinates,has disorder","223427","2020-10-21","18:00:00",""
"1552765","10.9362","0.0004","20.2513","0.001","27.0124","0.0015","90","","90","","90","","5982.5","0.5","100","0.11","100","0.11","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C66 H55 B Cl2 F4 N O P2 Pd -","- C66 H54 B Cl2 F4 N O P2 Pd -","- C264 H216 B4 Cl8 F16 N4 O4 P8 Pd4 -","4","1","","Chen, Zhongxiang; Yang, Mingxue; Sun, Zhaofeng; Zhang, Xuebo; Xu, Jing; Bian, Guangling; Song, Ling","Chiral Discrimination by A Binuclear Pd Complex Sensor using <sup>31</sup>P{<sup>1</sup>H} NMR.","Analytical chemistry","2019","","","","","10.1021/acs.analchem.9b03661","","x-ray","1.3405","GaKα","","0.1061","0.1045","","","0.2019","0.203","","","","","","1.141","","","","has coordinates","223428","2020-10-21","18:00:00",""
"1552767","9.0625","0.0007","10.9721","0.0008","18.2236","0.0013","90","","90","","90","","1812.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N3 O P -","- C19 H18 N3 O P -","- C76 H72 N12 O4 P4 -","4","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0596","0.0485","","","0.1274","0.1359","","","","","","1.045","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552772","7.6851","0.0003","12.5057","0.0005","13.9472","0.0005","90","","90","","90","","1340.43","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 O P -","- C15 H13 O P -","- C60 H52 O4 P4 -","4","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0338","0.0317","","","0.0897","0.0925","","","","","","1.003","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552784","13.3441","0.0013","14.6101","0.0009","20.1415","0.0019","90","","90","","90","","3926.8","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H50 Cl12 Cu6 N6 O -","- C18 H50 Cl12 Cu6 N6 O -","- C72 H200 Cl48 Cu24 N24 O4 -","4","1","","Latouche, Camille; Gautier, Romain; Génois, Romain; Massuyeau, Florian","Structural and Spectroscopic Investigations of Two [Cu<sub>4</sub>X<sub>6</sub>]<sup>2-</sup> (X = Cl<sup>-</sup>, Br<sup>-</sup>) Clusters: A Joint Theoretical and Experimental Work.","The journal of physical chemistry. A","2018","122","19","4628","4634","10.1021/acs.jpca.8b02663","","x-ray","0.71073","MoKα","","0.1038","0.0499","","","0.0824","0.098","","","","","","1.024","","","","has coordinates","227416","2020-10-21","18:00:00",""
"1552796","5.2149","0.0006","15.0953","0.0011","27.017","0.003","90","","90","","90","","2126.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 N2 O5 -","- C19 H36 N2 O5 -","- C76 H144 N8 O20 -","4","1","","Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.","Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.","The journal of physical chemistry. A","2018","122","14","3665","3679","10.1021/acs.jpca.7b10939","","","0.71073","MoKα","","0.1512","0.0945","","","0.1555","0.1878","","","","","","1.077","","","","has coordinates,has disorder","227428","2020-10-21","18:00:00",""
"1552798","9.4237","0.0001","15.9868","0.0002","17.3878","0.0002","90","","90","","90","","2619.56","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 N3 O6 -","- C23 H43 N3 O6 -","- C92 H172 N12 O24 -","4","1","","Pal, Rumpa; Reddy, M. B. Madhusudana; Dinesh, B.; Venkatesha, Manjunath A.; Grabowsky, Simon; Jelsch, Christian; Guru Row, Tayur N.","Syn vs Anti Carboxylic Acids in Hybrid Peptides: Experimental and Theoretical Charge Density and Chemical Bonding Analysis.","The journal of physical chemistry. A","2018","122","14","3665","3679","10.1021/acs.jpca.7b10939","","","0.71073","MoKα","","0.0511","0.0359","","","0.0566","0.0602","","","","","","0.967","","","","has coordinates","227430","2020-10-21","18:00:00",""
"1552828","11.371","0.004","19.871","0.007","20.675","0.007","90","","90","","90","","4672","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H57 Mg N3 O2 Si2 -","- C51 H57 Mg N3 O2 Si2 -","- C204 H228 Mg4 N12 O8 Si8 -","4","1","","Hu, Jianwen; Kan, Chao; Wang, Haobing; Ma, Haiyan","Highly Active Chiral Oxazolinyl Aminophenolate Magnesium Initiators for Isoselective Ring-Opening Polymerization of rac-Lactide: Dinuclearity Induced Enantiomorphic Site Control","Macromolecules","2018","51","14","5304","","10.1021/acs.macromol.8b00924","","","0.71073","MoKα","","0.1367","0.0538","","","0.0969","0.1251","","","","","","0.985","","","","has coordinates,has disorder","227464","2020-10-21","18:00:00",""
"1552845","6.0524","0.0002","16.3826","0.0005","23.4238","0.0007","90","","90","","90","","2322.56","0.13","253","2","253","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","1","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.0944","0.0672","","","0.1554","0.1702","","","","","","1.101","","","","has coordinates,has disorder","227479","2020-10-21","18:00:00",""
"1552846","6.0587","0.0003","16.4386","0.001","23.3475","0.0014","90","","90","","90","","2325.3","0.2","260","2","260","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","1","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.2101","0.1079","","","0.1813","0.2085","","","","","","1.065","","","","has coordinates","227479","2020-10-21","18:00:00",""
"1552847","6.1145","0.0002","17.2901","0.0006","22.4334","0.0008","90","","90","","90","","2371.67","0.14","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","1","","Simões, Ricardo G; Bernardes, Carlos E. S.; Joseph, Abhinav; M Piedade, M Fátima; Kraus, Werner; Emmerling, Franziska; Diogo, Hermíno P; Minas da Piedade, Manuel E.","Polymorphism in Simvastatin: Twinning, Disorder, and Enantiotropic Phase Transitions.","Molecular pharmaceutics","2018","15","11","5349","5360","10.1021/acs.molpharmaceut.8b00818","","","0.71073","MoKα","","0.1172","0.0789","","","0.194","0.2185","","","","","","1.083","","","","has coordinates","227479","2020-10-21","18:00:00",""
"1552849","4.99","","11.92","","22.95","","90","","90","","90","","1365.08","","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","electron","0.0335","electron","","","","","","","","","","","","","","","","","has coordinates","227486","2020-10-21","18:00:00",""
"1552850","5.045","0.0004","12.4178","0.0011","23.187","0.002","90","","90","","90","","1452.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","","1.54184","CuKα","","0.0813","0.0672","","","0.179","0.2043","","","","","","1.028","","","","has coordinates","227488","2020-10-21","18:00:00",""
"1552885","9.0262","0.0004","10.7097","0.0004","14.6781","0.0006","90","","90","","90","","1418.9","0.1","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0263","0.0262","","","0.0696","0.0697","","","","","","1.065","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552886","5.5431","0.0002","17.2727","0.0006","17.7127","0.0006","90","","90","","90","","1695.89","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0258","0.025","","","0.0645","0.0651","","","","","","1.043","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552911","5.66599","0.00006","8.61364","0.0001","31.0135","0.0003","90","","90","","90","","1513.61","0.03","125","","125","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H10 F3 N O3 S -","- C17 H10 F3 N O3 S -","- C68 H40 F12 N4 O12 S4 -","4","1","","Greenhalgh, Mark D.; Qu, Shen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Multiple roles of aryloxide leaving groups in enantioselective annulations employing α,β-unsaturated acyl ammonium catalysis.","Chemical science","2018","9","21","4909","4918","10.1039/c8sc01324a","","","1.54187","CuKα","","0.0479","0.0479","","","0.1124","0.1124","","","","","","0.962","","","","has coordinates","227762","2020-10-21","18:00:00",""
"1552948","7.355","0.0004","12.9923","0.0007","24.5807","0.0014","90","","90","","90","","2348.9","0.2","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 Br2 N2 O6 -","- C26 H12 Br2 N2 O6 -","- C104 H48 Br8 N8 O24 -","4","1","","Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien","Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes.","Chemical science","2020","11","2","403","408","10.1039/c9sc04378k","","x-ray","0.71073","MoKα","","0.0655","0.0405","","","0.0841","0.0942","","","","","","1.027","","","","has coordinates","250228","2020-10-21","18:00:00",""
"1552973","6.2364","0.0005","17.7803","0.0018","18.9588","0.0017","90","","90","","90","","2102.2","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B Br N O P -","- C20 H22 B Br N O P -","- C80 H88 B4 Br4 N4 O4 P4 -","4","1","","Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang","Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds","Org. Chem. Front.","2014","1","5","541","","10.1039/C4QO00017J","","","0.71073","MoKα","","0.0995","0.0497","","","0.1008","0.1189","","","","","","0.975","","","","has coordinates","232918","2020-10-21","18:00:00",""
"1552974","10.135","0.007","13.483","0.009","15.598","0.01","90","","90","","90","","2131","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 B O P -","- C24 H28 B O P -","- C96 H112 B4 O4 P4 -","4","1","","Li, Chun; Bian, Qing-Long; Xu, Sheng; Duan, Wei-Liang","Palladium-catalyzed 1,4-addition of secondary alkylphenylphosphines to α,β-unsaturated carbonyl compounds for the synthesis of phosphorus- and carbon-stereogenic compounds","Org. Chem. Front.","2014","1","5","541","","10.1039/C4QO00017J","","","0.71073","MoKα","","0.0383","0.0355","","","0.0902","0.0924","","","","","","1.056","","","","has coordinates","232918","2020-10-21","18:00:00",""
"1552976","10.1946","0.0001","10.6368","0.0001","19.8674","0.0001","90","","90","","90","","2154.38","0.03","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O -","- C28 H27 N O -","- C112 H108 N4 O4 -","4","1","","He, Yu-Ping; Wu, Hua; Xu, Lue; Su, Yong-Liang; Gong, Liu-Zhu","Highly enantioselective oxidative tandem cyclization reaction: a chiral ligand and an anion cooperatively control stereoselectivity","Org. Chem. Front.","2014","1","5","473","","10.1039/C4QO00042K","","","1.54184","CuKα","","0.0291","0.029","","","0.0781","0.0783","","","","","","1.055","","","","has coordinates","232922","2020-10-21","18:00:00",""
"1552989","10.3015","0.0001","11.2459","0.0001","19.9126","0.0002","90","","90","","90","","2306.87","0.04","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Chen, Peng-Qiao; Xiao, You-Cai; Yue, Cai-Zhen; Chen, Ying-Chun","Trienamine catalysis with linear deconjugated 3,5-dienones","Org. Chem. Front.","2014","1","5","490","","10.1039/C4QO00079J","","","1.54184","CuKα","","0.0332","0.0328","","","0.0906","0.0912","","","","","","1.08","","","","has coordinates","232936","2020-10-21","18:00:00",""
"1552993","6.6455","0.0002","14.068","0.0005","15.4102","0.0005","90","","90","","90","","1440.68","0.08","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Cl F N O3 -","- C17 H11 Cl F N O3 -","- C68 H44 Cl4 F4 N4 O12 -","4","1","","Liu, Yun-Lin; Liao, Fu-Min; Niu, Yan-Fei; Zhao, Xiao-Li; Zhou, Jian","Highly stereoselective construction of adjacent tetrasubstituted carbon stereogenic centres via an organocatalytic Mukaiyama-aldol reaction of monofluorinated silyl enol ethers to isatins","Organic Chemistry Frontiers","2014","1","7","742","","10.1039/C4QO00126E","","","0.71073","MoKα","","0.0426","0.0315","","","0.0651","0.0712","","","","","","1.03","","","","has coordinates","232941","2020-10-21","18:00:00",""
"1552997","6.1046","0.0006","15.4141","0.0015","17.5871","0.0017","90","","90","","90","","1654.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O -","- C23 H18 O -","- C92 H72 O4 -","4","1","","Zhu, Jian-Bo; Chen, Hao; Wang, Lijia; Tang, Yong","Stereospecific synthesis of highly functionalized benzo[3.1.0]bicycloalkanes via multistep cascade reactions","Org. Chem. Front.","2014","1","8","965","","10.1039/C4QO00134F","","","0.71073","MoKα","","0.044","0.0362","","","0.0889","0.0936","","","","","","1.05","","","","has coordinates","232945","2020-10-21","18:00:00",""
"1552998","8.4091","0.0007","12.2759","0.0012","24.544","0.002","90","","90","","90","","2533.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H23 O3 P -","- C34 H23 O3 P -","- C136 H92 O12 P4 -","4","1","","Yu, Yue-Na; Xu, Ming-Hua","Design of a new series of chiral phosphite‒olefin ligands and their application in asymmetric catalysis","Organic Chemistry Frontiers","2014","1","7","738","","10.1039/C4QO00135D","","","0.71073","MoKα","","0.1527","0.0864","","","0.2094","0.2292","","","","","","1.053","","","","has coordinates","232947","2020-10-21","18:00:00",""
"1553001","7.2517","0.0001","14.3878","0.0002","24.292","0.0004","90","","90","","90","","2534.53","0.06","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 N O3 Se -","- C27 H31 N O3 Se -","- C108 H124 N4 O12 Se4 -","4","1","","Godin, François; Duplessis, Martin; Buonomano, Cindy; Trinh, Thao; Houde, Karine; Chapdelaine, Daniel; Rodrigue, Jacques; Boutros, André; Guindon, Yvan","Stereocontrolled synthesis of propionate motifs froml-lactic andl-alanine aldehydes. A DFT study of the hydrogen transfer under endocyclic control","Org. Chem. Front.","2014","1","8","974","","10.1039/C4QO00142G","","","1.54178","CuKα","","0.0398","0.0349","","","0.0821","0.0841","","","","","","0.994","","","","has coordinates","232952","2020-10-21","18:00:00",""
"1553002","4.3822","0.0001","7.7125","0.0002","19.0393","0.0004","90","","90","","90","","643.48","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N O2 -","- C6 H9 N O2 -","- C24 H36 N4 O8 -","4","1","","Godin, François; Duplessis, Martin; Buonomano, Cindy; Trinh, Thao; Houde, Karine; Chapdelaine, Daniel; Rodrigue, Jacques; Boutros, André; Guindon, Yvan","Stereocontrolled synthesis of propionate motifs froml-lactic andl-alanine aldehydes. A DFT study of the hydrogen transfer under endocyclic control","Org. Chem. Front.","2014","1","8","974","","10.1039/C4QO00142G","","","1.54178","CuKα","","0.0392","0.0382","","","0.0933","0.0957","","","","","","1.109","","","","has coordinates","232952","2020-10-21","18:00:00",""
"1553007","5.1955","0.0001","8.5856","0.0001","32.9171","0.0004","90","","90","","90","","1468.32","0.04","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","","Wang, Yong; Xu, Jing-Kun; Gu, Yonghong; Tian, Shi-Kai","Catalytic stereospecific allylation of protected hydrazines with enantioenriched primary allylic amines","Organic Chemistry Frontiers","2014","1","7","812","","10.1039/C4QO00155A","","","1.54184","CuKα","","0.0326","0.0316","","","0.1036","0.1062","","","","","","1.077","","","","has coordinates","232956","2020-10-21","18:00:00",""
"1553017","8.8435","0.0004","13.8908","0.0007","14.179","0.0006","90","","90","","90","","1741.8","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Ma, Dengke; Dai, Jianxin; Qiu, Youai; Fu, Chunling; Ma, Shengming","Gram scale synthesis of 7-methoxy-O-methylmukonal, clausine-O, clausine-K, clausine-H, 7-methoxymukonal, and methyl 2-hydroxy-7-methoxy-9H-carbazole-3-carboxylate","Organic Chemistry Frontiers","2014","1","7","782","","10.1039/C4QO00163J","","","1.54184","CuKα","","0.0514","0.0425","","","0.1074","0.117","","","","","","1.094","","","","has coordinates","232966","2020-10-21","18:00:00",""
"1553043","10.255","0.001","10.8108","0.0012","15.4763","0.0016","90","","90","","90","","1715.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Yin, Xue-Song; Li, Yi-Chen; Yuan, Jun; Gu, Wen-Jia; Shi, Bing-Feng","Copper(ii)-catalyzed methoxylation of unactivated (hetero)aryl C‒H bonds using a removable bidentate auxiliary","Organic Chemistry Frontiers","2015","2","2","119","","10.1039/C4QO00276H","","","0.71073","MoKα","","0.0752","0.05","","","0.1129","0.129","","","","","","1.049","","","","has coordinates","232996","2020-10-21","18:00:00",""
"1553052","11.591","0.003","15.516","0.004","16.796","0.004","90","","90","","90","","3020.7","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 B11 N2 -","- C26 H43 B11 N2 -","- C104 H172 B44 N8 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1916","0.0773","","","0.1748","0.2472","","","","","","1.058","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553053","10.343","0.004","18.963","0.007","22.347","0.009","90","","90","","90","","4383","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H63 B11 N2 O -","- C41 H63 B11 N2 O -","- C164 H252 B44 N8 O4 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1555","0.0834","","","0.1844","0.2188","","","","","","0.908","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553056","10.4375","0.0006","19.3175","0.0009","22.8874","0.0013","90","","90","","90","","4614.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H59 B11 N2 -","- C39 H59 B11 N2 -","- C156 H236 B44 N8 -","4","1","","Zheng, Fangrui; Xie, Zuowei","Reaction of N-heterocyclic carbenes with 13-vertex closo-carboranes: synthesis and structural characterization of zwitterionic salts of 13-vertex nido-carboranes","Organic Chemistry Frontiers","2015","2","1","55","","10.1039/C4QO00287C","","","0.71073","MoKα","","0.1296","0.0585","","","0.1179","0.1379","","","","","","0.893","","","","has coordinates","233002","2020-10-21","18:00:00",""
"1553058","10.943","0.003","12.564","0.004","18.454","0.005","90","","90","","90","","2537.2","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Br N2 O7 -","- C25 H25 Br N2 O7 -","- C100 H100 Br4 N8 O28 -","4","1","","Sun, Qiang-Sheng; Chen, Xiao-Yang; Zhu, Hua; Lin, Hua; Sun, Xing-Wen; Lin, Guo-Qiang","Asymmetric synthesis of poly-substituted spirocyclohexane oxindole via a squaramide catalyzed cascade Michael‒Michael‒aldol sequence","Organic Chemistry Frontiers","2015","2","2","110","","10.1039/C4QO00299G","","","0.71073","MoKα","","0.0744","0.0488","","","0.1112","0.1222","","","","","","1.024","","","","has coordinates","233007","2020-10-21","18:00:00",""
"1553059","6.6023","0.0006","7.8736","0.0007","32.754","0.003","90","","90","","90","","1702.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N O5 -","- C17 H18 Br N O5 -","- C68 H72 Br4 N4 O20 -","4","1","","Li, Ying-Zi; Wang, Jie; Sun, Wang-Bin; Shan, Yi-Fan; Sun, Bing-Feng; Lin, Guo-Qiang; Zou, Jian-Ping","Enantioselective synthesis of bicyclo[2.2.2]octane-1-carboxylates under metal free conditions","Organic Chemistry Frontiers","2015","2","3","274","","10.1039/C4QO00311J","","","0.71073","MoKα","","0.0631","0.0453","","","0.1113","0.1189","","","","","","1.061","","","","has coordinates","233009","2020-10-21","18:00:00",""
"1553060","8.7741","0.0001","9.7409","0.0001","14.5365","0.0001","90","","90","","90","","1242.4","0.02","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C48 H68 N4 O16 S4 -","4","1","","Riaño, Iker; Uria, Uxue; Carrillo, Luisa; Reyes, Efraim; Vicario, Jose L.","4-Alkenyl-5H-1,2,3-oxathiazole 2,2-dioxides in catalytic and enantioselective [4 + 2] cycloaddition through iminium activation. Straightforward access to the trans-decaline framework and to densely functionalized cyclohexanes","Organic Chemistry Frontiers","2015","2","3","206","","10.1039/C4QO00316K","","","1.54184","CuKα","","0.0208","0.0205","","","0.0551","0.0553","","","","","","1.102","","","","has coordinates","233010","2020-10-21","18:00:00",""
"1553096","12.38928","0.00014","20.5595","0.0003","23.639","0.0003","90","","90","","90","","6021.26","0.13","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3,5,7,9-pentakis(4,4,5,5-tetramethyl-1,2,3-dioxaborolane)corannulene","","- C56 H79 B5 O10 -","- C50 H65 B5 O10 -","- C200 H260 B20 O40 -","4","1","","Da Ros, Sara; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Boronic esters of corannulene: potential building blocks toward icosahedral supramolecules","Organic Chemistry Frontiers","2015","2","6","626","","10.1039/C5QO00009B","","","1.54184","CuKα","","0.1125","0.1047","","","0.3114","0.322","","","","","","1.371","","","","has coordinates,has disorder","233586","2020-10-21","18:00:00",""
"1553099","5.572","0.0004","15.48","0.001","25.4858","0.0016","90","","90","","90","","2198.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-Butyl (1R,2S,3R,6R,7S,9S)-6-phenyl-8-oxa-2- azatetracyclo[7.7.0.02,7.011,16]hexadeca-11(16),12,14- triene-3-carboxylate","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","","Arena, Giada; Cini, Elena; Petricci, Elena; Randino, Rosario; Taddei, Maurizio","A highly stereo-controlled protocol to prepare pipecolic acids based on Heck and cyclohydrocarbonylation reactions","Organic Chemistry Frontiers","2015","2","5","526","","10.1039/C5QO00025D","","","0.71073","MoKα","","0.1451","0.0382","","","0.0484","0.0582","","","","","","0.69","","","","has coordinates","233591","2020-10-21","18:00:00",""
"1553119","7.6495","0.0006","12.803","0.0013","16.9343","0.0013","90","","90","","90","","1658.5","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl I O S -","- C16 H16 Cl I O S -","- C64 H64 Cl4 I4 O4 S4 -","4","1","","Berthelot-Bréhier, Anaïs; Panossian, Armen; Colobert, Françoise; Leroux, Frédéric R.","Atroposelective synthesis of axially chiral P,S-ligands based on arynes","Organic Chemistry Frontiers","2015","2","6","634","","10.1039/C5QO00067J","","","0.71073","MoKα","","0.0358","0.0271","","","0.0496","0.0525","","","","","","1.083","","","","has coordinates","233613","2020-10-21","18:00:00",""
"1553120","9.4309","0.0003","13.5255","0.0004","19.3191","0.0006","90","","90","","90","","2464.3","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl P S -","- C28 H26 Cl P S -","- C112 H104 Cl4 P4 S4 -","4","1","","Berthelot-Bréhier, Anaïs; Panossian, Armen; Colobert, Françoise; Leroux, Frédéric R.","Atroposelective synthesis of axially chiral P,S-ligands based on arynes","Organic Chemistry Frontiers","2015","2","6","634","","10.1039/C5QO00067J","","","1.54178","CuKα","","0.0529","0.0526","","","0.1372","0.1373","","","","","","1.147","","","","has coordinates","233613","2020-10-21","18:00:00",""
"1553121","11.8312","0.0003","15.3726","0.0006","17.795","0.0006","90","","90","","90","","3236.49","0.19","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H34 Cl3 P Pd S -","- C35 H34 Cl3 P Pd S -","- C140 H136 Cl12 P4 Pd4 S4 -","4","1","","Berthelot-Bréhier, Anaïs; Panossian, Armen; Colobert, Françoise; Leroux, Frédéric R.","Atroposelective synthesis of axially chiral P,S-ligands based on arynes","Organic Chemistry Frontiers","2015","2","6","634","","10.1039/C5QO00067J","","","0.71073","MoKα","","0.0801","0.043","","","0.0854","0.1102","","","","","","1.061","","","","has coordinates","233613","2020-10-21","18:00:00",""
"1553129","5.9958","0.0012","13.644","0.003","17.789","0.004","90","","90","","90","","1455.3","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 F O2 -","- C16 H25 F O2 -","- C64 H100 F4 O8 -","4","1","","Zhang, Xiaofei; Guo, Shuo; Tang, Pingping","Transition-metal free oxidative aliphatic C‒H fluorination","Organic Chemistry Frontiers","2015","2","7","806","","10.1039/C5QO00095E","","","0.71073","MoKα","","0.0574","0.0549","","","0.1577","0.16","","","","","","1.052","","","","has coordinates","233621","2020-10-21","18:00:00",""
"1553130","8.7359","0.0017","12.804","0.003","20.625","0.004","90","","90","","90","","2307","0.8","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 F O8 -","- C24 H31 F O8 -","- C96 H124 F4 O32 -","4","1","","Zhang, Xiaofei; Guo, Shuo; Tang, Pingping","Transition-metal free oxidative aliphatic C‒H fluorination","Organic Chemistry Frontiers","2015","2","7","806","","10.1039/C5QO00095E","","","0.71073","MoKα","","0.0843","0.0615","","","0.1225","0.1344","","","","","","1.003","","","","has coordinates","233621","2020-10-21","18:00:00",""
"1553134","7.82043","0.00019","10.2265","0.0003","17.491","0.0004","90","","90","","90","","1398.85","0.06","299","0.4","299","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O7 S2 -","- C11 H13 N O7 S2 -","- C44 H52 N4 O28 S8 -","4","1","","Kang, Jian; Zhu, Baofu; Liu, Jiewei; Wang, Bo; Zhang, Li; Su, Cheng-Yong","Chiral dirhodium catalysts derived from l-serine, l-threonine and l-cysteine: design, synthesis and application","Organic Chemistry Frontiers","2015","2","8","890","","10.1039/C5QO00110B","","","1.54184","CuKα","","0.0375","0.0355","","","0.1101","0.1128","","","","","","0.945","","","","has coordinates","233627","2020-10-21","18:00:00",""
"1553145","8.4926","0.0017","12.013","0.002","19.248","0.004","90","","90","","90","","1963.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 O3 P -","- C26 H17 O3 P -","- C104 H68 O12 P4 -","4","1","","Xu, Guangqing; Li, Minghong; Wang, Shouliang; Tang, Wenjun","Efficient synthesis of P-chiral biaryl phosphonates by stereoselective intramolecular cyclization","Organic Chemistry Frontiers","2015","2","10","1342","","10.1039/C5QO00142K","","","1.54178","CuKα","","0.0398","0.0394","","","0.1233","0.1239","","","","","","1.098","","","","has coordinates","233638","2020-10-21","18:00:00",""
"1553147","10.3025","0.0005","16.0231","0.0008","26.3966","0.0014","90","","90","","90","","4357.5","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Au I N3 O -","- C23 H19 Au I N3 O -","- C184 H152 Au8 I8 N24 O8 -","8","2","","Xu, Qin; Gu, Peng; Wang, Feijun; Shi, Min","Selectfluor promoted NHC‒oxazoline gold(i) complex catalyzed cycloaddition/oxidation reaction of enynones with alkenes","Organic Chemistry Frontiers","2015","2","11","1475","","10.1039/C5QO00155B","","","0.71073","MoKα","","0.0467","0.0368","","","0.0704","0.0742","","","","","","0.924","","","","has coordinates","233640","2020-10-21","18:00:00",""
"1553148","5.8507","0.001","14.177","0.002","30.834","0.004","90","","90","","90","","2557.5","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O10 -","- C24 H34 O10 -","- C96 H136 O40 -","4","1","","Huang, Xin; Xue, Can; Fu, Chunling; Ma, Shengming","A concise construction of carbohydrate-tethered axially chiral allenes via copper catalysis","Organic Chemistry Frontiers","2015","2","9","1040","","10.1039/C5QO00164A","","","0.71073","MoKα","","0.102","0.08","","","0.2036","0.2267","","","","","","1.094","","","","has coordinates","233641","2020-10-21","18:00:00",""
"1553149","10.8569","0.0001","14.913","0.0002","23.1808","0.0016","90","","90","","90","","3753.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O6 -","- C21 H19 N O6 -","- C168 H152 N8 O48 -","8","2","","Duan, Jindian; Cheng, Jing; Li, Pengfei","Enantioselective construction of spiro-1,3-indandiones with three stereocenters via organocatalytic Michael-aldol reaction of 2-arylideneindane-1,3-diones and nitro aldehydes","Organic Chemistry Frontiers","2015","2","9","1048","","10.1039/C5QO00166H","","","1.54187","CuKα","","0.1036","0.0978","","","0.2475","0.2574","","","","","","1.097","","","","has coordinates","233643","2020-10-21","18:00:00",""
"1553154","6.86998","0.00008","15.21957","0.0002","27.0563","0.0004","90","","90","","90","","2828.96","0.06","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","2","","Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.","γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines","Organic Chemistry Frontiers","2015","2","11","1445","","10.1039/C5QO00183H","","","1.54184","CuKα","","0.0307","0.0289","","","0.069","0.0703","","","","","","1.057","","","","has coordinates","233646","2020-10-21","18:00:00",""
"1553183","6.3258","0.0002","17.6205","0.0006","20.9213","0.0007","90","","90","","90","","2331.97","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","scm5-1986","","- C21 H33 N O4 Si -","- C21 H33 N O4 Si -","- C84 H132 N4 O16 Si4 -","4","1","","Si, Chang-Mei; Mao, Zhuo-Ya; Liu, Yi-Wen; Du, Zhen-Ting; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective formation of chiral trans-4-hydroxy-5-substituted 2-pyrrolidinones: syntheses of streptopyrrolidine and 3-epi-epohelmin A","Organic Chemistry Frontiers","2015","2","11","1485","","10.1039/C5QO00250H","","","0.71073","MoKα","","0.1041","0.0518","","","0.1285","0.1503","","","","","","0.933","","","","has coordinates","233674","2020-10-21","18:00:00",""
"1553195","7.6889","0.0002","15.5382","0.0005","16.4272","0.0006","90","","90","","90","","1962.58","0.11","99.8","0.5","99.8","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N4 O4 -","- C24 H22 N4 O4 -","- C96 H88 N16 O16 -","4","1","","Mao, Zhong-Yi; Geng, Hui; Zhang, Tian-Tian; Ruan, Yuan-Ping; Ye, Jian-Liang; Huang, Pei-Qiang","Stereodivergent and enantioselective total syntheses of isochaetominines A‒C and four pairs of isochaetominine C enantiomers: a six-step approach","Organic Chemistry Frontiers","2016","3","1","24","","10.1039/C5QO00298B","","x-ray","1.54184","CuKα","","0.0459","0.0413","","","0.0978","0.1021","","","","","","1.048","","","","has coordinates","233686","2020-10-21","18:00:00",""
"1553207","6.2154","0.0003","20.2473","0.0013","22.9882","0.0017","90","","90","","90","","2893","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Cl O6 -","- C36 H29 Cl O6 -","- C144 H116 Cl4 O24 -","4","1","","Fu, Zhenqian; Wu, Xingxing; Chi, Yonggui Robin","Rapid access to bicyclic δ-lactones via carbene-catalyzed activation and cascade reaction of unsaturated carboxylic esters","Organic Chemistry Frontiers","2016","3","2","145","","10.1039/C5QO00348B","","","0.71073","MoKα","","0.0801","0.0507","","","0.1004","0.1167","","","","","","1.021","","","","has coordinates","233699","2020-10-21","18:00:00",""
"1553212","10.016","0.005","10.025","0.004","21.596","0.01","90","","90","","90","","2168.5","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N2 O4 -","- C22 H32 N2 O4 -","- C88 H128 N8 O16 -","4","1","","Fu, Jian-Guo; Xu, Guang-Qiang; Ding, Rui; Lin, Guo-Qiang; Sun, Bing-Feng","Asymmetric total synthesis of Lycopodium alkaloids α-obscurine, N-desmethyl-α-obscurine, β-obscurine and N-desmethyl-β-obscurine","Organic Chemistry Frontiers","2016","3","1","62","","10.1039/C5QO00355E","","","0.71073","MoKα","","0.0399","0.0351","","","0.0918","0.0954","","","","","","1.03","","","","has coordinates","233705","2020-10-21","18:00:00",""
"1553215","8.3061","0.0002","9.701","0.0002","20.7173","0.0006","90","","90","","90","","1669.35","0.07","294.39","0.1","294.39","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cl2 N O4 -","- C16 H17 Cl2 N O4 -","- C64 H68 Cl8 N4 O16 -","4","1","","Yang, Li; Song, Liqiang; Huang, Chong; Huang, Mingzheng; Liu, Bo","Exploiting ortho-substitution effect on formation of oxygen-containing [10]paracyclophane through ring-closing metathesis","Organic Chemistry Frontiers","2016","3","3","319","","10.1039/C5QO00373C","","x-ray","1.54184","CuKα","","0.051","0.0478","","","0.1284","0.1329","","","","","","1.022","","","","has coordinates","233709","2020-10-21","18:00:00",""
"1553224","10.342","0.002","12.672","0.003","13.549","0.003","90","","90","","90","","1775.6","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 F N O5 S -","- C19 H16 F N O5 S -","- C76 H64 F4 N4 O20 S4 -","4","1","","Yu, Jin-Sheng; Zhou, Jian","Organocatalytic enantioselective Mukaiyama‒Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines","Organic Chemistry Frontiers","2016","3","3","298","","10.1039/C5QO00407A","","","0.71073","MoKα","","0.0294","0.0273","","","0.072","0.0739","","","","","","1.029","","","","has coordinates","233719","2020-10-21","18:00:00",""
"1553225","7.1956","0.0003","9.6833","0.0003","23.2873","0.0008","90","","90","","90","","1622.59","0.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F2 N2 O4 S -","- C17 H14 F2 N2 O4 S -","- C68 H56 F8 N8 O16 S4 -","4","1","","Yu, Jin-Sheng; Zhou, Jian","Organocatalytic enantioselective Mukaiyama‒Mannich reaction of fluorinated enol silyl ethers and cyclic N-sulfonyl ketimines","Organic Chemistry Frontiers","2016","3","3","298","","10.1039/C5QO00407A","","","0.71073","MoKα","","0.0337","0.0314","","","0.0781","0.0801","","","","","","1.052","","","","has coordinates","233719","2020-10-21","18:00:00",""
"1553229","8.0462","0.0005","9.2337","0.0006","26.6656","0.0013","90","","90","","90","","1981.2","0.2","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Cl N2 O2 -","- C24 H17 Cl N2 O2 -","- C96 H68 Cl4 N8 O8 -","4","1","","Zhang, Zhiguo; Qian, Jingjing; Zhang, Guisheng; Ma, Nana; Liu, Qingfeng; Liu, Tongxin; Sun, Kai; Shi, Lei","Copper(i) catalyzed C(sp2)‒N bond formation: synthesis of pyrrolo[3,2-c]quinolinone derivatives","Organic Chemistry Frontiers","2016","3","3","344","","10.1039/C5QO00417A","","","1.54184","CuKα","","0.0529","0.0399","","","0.1013","0.1123","","","","","","1.041","","","","has coordinates","233720","2020-10-21","18:00:00",""
"1553243","13.0489","0.0003","12.6807","0.0003","7.92534","0.00019","90","","90","","90","","1311.4","0.05","108.5","","108.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Zhang, Xiao-Yan; Liu, Zhan-Liang; Sun, Bing-Da; Niu, Shu-Bin; Wang, Meng-Hua; Tan, Xiang-Mei; Zou, Zhong-Mei; Ding, Gang","Bioactive Resorcylic Acid Lactones with Different Ring Systems from Desert Plant Chaetosphaeronema hispidulum. [corrected].","Journal of agricultural and food chemistry","2018","66","34","8976","8982","10.1021/acs.jafc.8b02648","","","1.5418","CuKα","","0.033","0.0322","","","0.0856","0.0863","","","","","","1.046","","","","has coordinates","234001","2020-10-21","18:00:00",""
"1553249","4.9653","0.0001","10.6228","0.0002","34.2129","0.0006","90","","90","","90","","1804.57","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O5 -","- C21 H24 O5 -","- C84 H96 O20 -","4","1","","Jiang, Junhang; Zheng, Canhui; Zhu, Kongkai; Liu, Jia; Sun, Nannan; Wang, Chongqing; Jiang, Hualiang; Zhu, Ju; Luo, Cheng; Zhou, Youjun","Quantum chemistry calculation-aided structural optimization of combretastatin A-4-like tubulin polymerization inhibitors: improved stability and biological activity.","Journal of medicinal chemistry","2015","58","5","2538","2546","10.1021/acs.jmedchem.5b00118","","","1.54178","CuKα","","0.0462","0.0446","","","0.1147","0.1163","","","","","","1.103","","","","has coordinates","234006","2020-10-21","18:00:00",""
"1553251","13.571","0.0009","17.6203","0.0011","21.2057","0.0013","90","","90","","90","","5070.8","0.6","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41.5 H70 N7 O13 -","- C41.5 H70 N7 O13 -","- C166 H280 N28 O52 -","4","1","","Hickey, Jennifer L.; Zaretsky, Serge; St Denis, Megan A.; Kumar Chakka, Sai; Morshed, M. Monzur; Scully, Conor C. G.; Roughton, Andrew L.; Yudin, Andrei K.","Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds.","Journal of medicinal chemistry","2016","59","11","5368","5376","10.1021/acs.jmedchem.6b00222","","","1.54178","CuKα","","0.0684","0.0629","","","0.1803","0.187","","","","","","1.052","","","","has coordinates","234008","2020-10-21","18:00:00",""
"1553252","13.1244","0.001","13.601","0.0009","48.964","0.003","90","","90","","90","","8740.3","1","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H63 N7 O9 -","- C41 H63 N7 O9 -","- C328 H504 N56 O72 -","8","2","","Hickey, Jennifer L.; Zaretsky, Serge; St Denis, Megan A.; Kumar Chakka, Sai; Morshed, M. Monzur; Scully, Conor C. G.; Roughton, Andrew L.; Yudin, Andrei K.","Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds.","Journal of medicinal chemistry","2016","59","11","5368","5376","10.1021/acs.jmedchem.6b00222","","","1.54178","CuKα","","0.0352","0.0334","","","0.0854","0.0869","","","","","","1.024","","","","has coordinates","234009","2020-10-21","18:00:00",""
"1553255","6.917","0.0003","8.4769","0.0003","18.1729","0.0007","90","","90","","90","","1065.56","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C48 H44 N4 O12 -","4","1","","Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao","Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors.","Journal of medicinal chemistry","2018","61","10","4608","4627","10.1021/acs.jmedchem.8b00441","","","1.54178","CuKα","","0.0475","0.039","","","0.1132","0.1224","","","","","","0.962","","","","has coordinates","234013","2020-10-21","18:00:00",""
"1553257","6.9288","0.0008","7.9172","0.0009","52.844","0.006","90","","90","","90","","2898.8","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C H O -","- C1.50588 H1.83529 O0.470588 -","- C128 H156 O40 -","85","21.25","","Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa","Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.","Journal of medicinal chemistry","2018","61","13","5664","5678","10.1021/acs.jmedchem.8b00565","","","0.71073","MoKα","","0.1523","0.1024","","","0.2016","0.2201","","","","","","1.16","","","","has coordinates","234017","2020-10-21","18:00:00",""
"1553260","7.5165","0.0016","8.0959","0.0017","24.661","0.009","90","","90","","90","","1500.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 F2 N3 O2 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa","Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.","Journal of medicinal chemistry","2018","61","13","5664","5678","10.1021/acs.jmedchem.8b00565","","","1.54184","CuKα","","0.0461","0.0396","","","0.1083","0.1218","","","","","","1.301","","","","has coordinates","234020","2020-10-21","18:00:00",""
"1553278","5.436","0.004","9.003","0.006","21.664","0.012","90","","90","","90","","1060.2","1.2","180","","180","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-chloro-8-(1-methyl-1H-pyrrol-3-yl)tetrazolo[1,5-c]pyrimidine","","- C9 H7 Cl N6 -","- C9 H7 Cl N6 -","- C36 H28 Cl4 N24 -","4","1","","Tokarenko, Anna; Lišková, Barbora; Smoleń, Sabina; Táborská, Natálie; Tichý, Michal; Gurská, Soňa; Perlíková, Pavla; Frydrych, Ivo; Tloušt'ová, Eva; Znojek, Pawel; Mertlíková-Kaiserová, Helena; Poštová Slavětínská, Lenka; Pohl, Radek; Klepetářová, Blanka; Khalid, Noor-Ul-Ain; Wenren, Yiqian; Laposa, Rebecca R.; Džubák, Petr; Hajdúch, Marián; Hocek, Michal","Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides.","Journal of medicinal chemistry","2018","61","20","9347","9359","10.1021/acs.jmedchem.8b01258","","x-ray","0.71073","MoKα","","0.0432","0.0296","","0.0411","0.0299","0.0299","","","","","","1.1252","","","","has coordinates","234042","2020-10-21","18:00:00",""
"1553280","9.3781","0.0002","12.6568","0.0003","27.0482","0.0006","90","","90","","90","","3210.53","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 O4 -","- C34 H54 O4 -","- C136 H216 O16 -","4","1","","Yang, Xing-Wei; Li, Ming-Ming; Liu, Xia; Ferreira, Daneel; Ding, Yuanqing; Zhang, Jing-Jing; Liao, Yang; Qin, Hong-Bo; Xu, Gang","Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.","Journal of natural products","2015","78","4","885","895","10.1021/acs.jnatprod.5b00057","","","1.54178","CuKα","","0.0798","0.0794","","","0.2097","0.2106","","","","","","1.186","","","","has coordinates","234046","2020-10-21","18:00:00",""
"1553284","10.0575","0.0003","16.0634","0.0004","17.39","0.0004","90","","90","","90","","2809.49","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O5 -","- C30 H44 O5 -","- C120 H176 O20 -","4","1","","Yang, Xing-Wei; Li, Ming-Ming; Liu, Xia; Ferreira, Daneel; Ding, Yuanqing; Zhang, Jing-Jing; Liao, Yang; Qin, Hong-Bo; Xu, Gang","Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi.","Journal of natural products","2015","78","4","885","895","10.1021/acs.jnatprod.5b00057","","","1.54178","CuKα","","0.0346","0.0345","","","0.0899","0.0901","","","","","","1.087","","","","has coordinates","234051","2020-10-21","18:00:00",""
"1553285","9.7135","0.0003","13.9213","0.0004","31.7069","0.0008","90","","90","","90","","4287.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24.6667 N2 O1.3333 -","- C16 H24 N2 O1.33333 -","- C192 H288 N24 O16 -","12","3","","Cao, Ming-Ming; Zhang, Yu; Huang, Sheng-Dian; Di, Ying-Tong; Peng, Zong-Gen; Jiang, Jian-Dong; Yuan, Chun-Mao; Chen, Duo-Zhi; Li, Shun-Lin; He, Hong-Ping; Hao, Xiao-Jiang","Alkaloids with Different Carbon Units from Myrioneuron faberi.","Journal of natural products","2015","78","11","2609","2616","10.1021/acs.jnatprod.5b00543","","","1.54178","CuKα","","0.0452","0.045","","","0.128","0.1283","","","","","","1.083","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553288","5.8324","0.0007","12.9306","0.0014","17.55","0.002","90","","90","","90","","1323.6","0.3","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Matsuo, Yukiko; Maeda, Saori; Ohba, Chika; Fukaya, Haruhiko; Mimaki, Yoshihiro","Vetiverianines A, B, and C: Sesquiterpenoids from Vetiveria zizanioides Roots.","Journal of natural products","2016","79","9","2175","2180","10.1021/acs.jnatprod.6b00140","","","0.71073","MoKα","","0.0325","0.0304","","","0.0763","0.0775","","","","","","1.04","","","","has coordinates","234058","2020-10-21","18:00:00",""
"1553289","6.242","0.0006","16.329","0.0015","28.076","0.003","90","","90","","90","","2861.7","0.5","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 O2.5 -","- C15 H27 O2.5 -","- C120 H216 O20 -","8","2","","Matsuo, Yukiko; Maeda, Saori; Ohba, Chika; Fukaya, Haruhiko; Mimaki, Yoshihiro","Vetiverianines A, B, and C: Sesquiterpenoids from Vetiveria zizanioides Roots.","Journal of natural products","2016","79","9","2175","2180","10.1021/acs.jnatprod.6b00140","","","0.71073","MoKα","","0.0425","0.0376","","","0.0825","0.0851","","","","","","1.05","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553290","5.6076","0.0005","7.3152","0.0006","32.2","0.003","90","","90","","90","","1320.9","0.2","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Matsuo, Yukiko; Maeda, Saori; Ohba, Chika; Fukaya, Haruhiko; Mimaki, Yoshihiro","Vetiverianines A, B, and C: Sesquiterpenoids from Vetiveria zizanioides Roots.","Journal of natural products","2016","79","9","2175","2180","10.1021/acs.jnatprod.6b00140","","","0.71073","MoKα","","0.0338","0.0331","","","0.086","0.0868","","","","","","1.057","","","","has coordinates,has disorder","234060","2020-10-21","18:00:00",""
"1553291","9.1399","0.0002","11.2214","0.0003","19.328","0.0005","90","","90","","90","","1982.33","0.09","123","0.1","123","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O7 -","- C23 H26 O7 -","- C92 H104 O28 -","4","1","","Abdissa, Negera; Pan, Fangfang; Gruhonjic, Amra; Gräfenstein, Jürgen; Fitzpatrick, Paul A.; Landberg, Göran; Rissanen, Kari; Yenesew, Abiy; Erdélyi, Máté","Naphthalene Derivatives from the Roots of Pentas parvifolia and Pentas bussei.","Journal of natural products","2016","79","9","2181","2187","10.1021/acs.jnatprod.6b00178","","x-ray","1.54184","CuKα","","0.0532","0.0494","","","0.1382","0.142","","","","","","1.022","","","","has coordinates","234061","2020-10-21","18:00:00",""
"1553292","5.20049","0.00004","18.36541","0.0001","22.63281","0.00012","90","","90","","90","","2161.64","0.02","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 O7 -","- C24 H28 O7 -","- C96 H112 O28 -","4","1","","Abdissa, Negera; Pan, Fangfang; Gruhonjic, Amra; Gräfenstein, Jürgen; Fitzpatrick, Paul A.; Landberg, Göran; Rissanen, Kari; Yenesew, Abiy; Erdélyi, Máté","Naphthalene Derivatives from the Roots of Pentas parvifolia and Pentas bussei.","Journal of natural products","2016","79","9","2181","2187","10.1021/acs.jnatprod.6b00178","","x-ray","1.54184","CuKα","","0.0387","0.0381","","","0.1001","0.1009","","","","","","1.025","","","","has coordinates","234062","2020-10-21","18:00:00",""
"1553293","6.5201","0.0001","7.2318","0.0001","24.7168","0.0004","90","","90","","90","","1165.45","0.03","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Zhou, Haibo; Li, Liyuan; Wu, Chongming; Kurtán, Tibor; Mándi, Attila; Liu, Yankai; Gu, Qianqun; Zhu, Tianjiao; Guo, Peng; Li, Dehai","Penipyridones A-F, Pyridone Alkaloids from Penicillium funiculosum.","Journal of natural products","2016","79","7","1783","1790","10.1021/acs.jnatprod.6b00218","","","1.54184","CuKα","","0.03","0.0298","","","0.0817","0.0818","","","","","","1.039","","","","has coordinates","234063","2020-10-21","18:00:00",""
"1553295","7.33508","0.00019","7.7336","0.0002","16.8499","0.0004","90","","90","","90","","955.84","0.04","100.3","","100.3","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","","Zeng, Yao-Bo; Liu, Xiao-Ling; Zhang, Yi; Li, Chuang-Jun; Zhang, Dong-Ming; Peng, Yao-Zong; Zhou, Xing; Du, Hong-Fei; Tan, Chun-Bing; Zhang, Yu-Yu; Yang, Da-Jian","Cantharimide and Its Derivatives from the Blister Beetle Mylabris phalerata Palla.","Journal of natural products","2016","79","8","2032","2038","10.1021/acs.jnatprod.6b00332","","","1.54184","CuKα","","0.0321","0.0318","","","0.0856","0.0857","","","","","","1.079","","","","has coordinates","234066","2020-10-21","18:00:00",""
"1553296","5.376","0.0005","11.9366","0.0011","13.1122","0.0013","90","","90","","90","","841.43","0.14","104.3","","104.3","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Zeng, Yao-Bo; Liu, Xiao-Ling; Zhang, Yi; Li, Chuang-Jun; Zhang, Dong-Ming; Peng, Yao-Zong; Zhou, Xing; Du, Hong-Fei; Tan, Chun-Bing; Zhang, Yu-Yu; Yang, Da-Jian","Cantharimide and Its Derivatives from the Blister Beetle Mylabris phalerata Palla.","Journal of natural products","2016","79","8","2032","2038","10.1021/acs.jnatprod.6b00332","","","1.5418","CuKα","","0.0373","0.0364","","","0.0929","0.0945","","","","","","1.072","","","","has coordinates","234068","2020-10-21","18:00:00",""
"1553298","7.3316","0.0005","9.7804","0.0006","17.8769","0.0012","90","","90","","90","","1281.88","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br O2 -","- C14 H19 Br O2 -","- C56 H76 Br4 O8 -","4","1","","Chen, Jia-Yu; Huang, Chiung-Yao; Lin, Yun-Sheng; Hwang, Tsong-Long; Wang, Wei-Lung; Chiou, Shu-Fen; Sheu, Jyh-Horng","Halogenated Sesquiterpenoids from the Red Alga Laurencia tristicha Collected in Taiwan.","Journal of natural products","2016","79","9","2315","2323","10.1021/acs.jnatprod.6b00452","","","1.54178","CuKα","","0.0186","0.0186","","","0.0488","0.0488","","","","","","1.181","","","","has coordinates","234070","2020-10-21","18:00:00",""
"1553300","36.533","0.004","4.9693","0.0006","7.6479","0.0009","90","","90","","90","","1388.4","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pestalotioprolide C","","","- C14 H24 O4 -","- C14 H24 O4 -","- C56 H96 O16 -","4","1","","Liu, Shuai; Dai, Haofu; Makhloufi, Gamall; Heering, Christian; Janiak, Christoph; Hartmann, Rudolf; Mándi, Attila; Kurtán, Tibor; Müller, Werner E G; Kassack, Matthias U.; Lin, Wenhan; Liu, Zhen; Proksch, Peter","Cytotoxic 14-Membered Macrolides from a Mangrove-Derived Endophytic Fungus, Pestalotiopsis microspora.","Journal of natural products","2016","79","9","2332","2340","10.1021/acs.jnatprod.6b00473","","","1.54178","CuKα","","0.0931","0.0867","","","0.2354","0.2408","","","","","","1.161","","","","has coordinates","234074","2020-10-21","18:00:00",""
"1553301","4.8042","0.0003","7.6036","0.0004","37.247","0.002","90","","90","","90","","1360.6","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","nigrosporolide","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Liu, Shuai; Dai, Haofu; Makhloufi, Gamall; Heering, Christian; Janiak, Christoph; Hartmann, Rudolf; Mándi, Attila; Kurtán, Tibor; Müller, Werner E G; Kassack, Matthias U.; Lin, Wenhan; Liu, Zhen; Proksch, Peter","Cytotoxic 14-Membered Macrolides from a Mangrove-Derived Endophytic Fungus, Pestalotiopsis microspora.","Journal of natural products","2016","79","9","2332","2340","10.1021/acs.jnatprod.6b00473","","","0.71073","MoKα","","0.0331","0.0316","","","0.0787","0.0797","","","","","","1.088","","","","has coordinates","234075","2020-10-21","18:00:00",""
"1553303","6.5355","0.0013","12.797","0.003","24.34","0.005","90","","90","","90","","2035.7","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","","Xu, Jing; Wang, Meicheng; Sun, Xiaocong; Ren, Quanhui; Cao, Xiangrong; Li, Shen; Su, Guochen; Tuerhong, Muhetaer; Lee, Dongho; Ohizumi, Yasushi; Bartlam, Mark; Guo, Yuanqiang","Bioactive Terpenoids from Salvia plebeia: Structures, NO Inhibitory Activities, and Interactions with iNOS.","Journal of natural products","2016","79","11","2924","2932","10.1021/acs.jnatprod.6b00733","","","0.71073","MoKα","","0.1233","0.0723","","","0.1455","0.1659","","","","","","1.015","","","","has coordinates","234078","2020-10-21","18:00:00",""
"1553304","6.37","0.0003","12.1724","0.0006","34.2046","0.0015","90","","90","","90","","2652.2","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C120 H168 O20 -","4","1","","Olivier, Wesley J.; Kilah, Nathan L.; Horne, James; Bissember, Alex C.; Smith, Jason A.","ent-Labdane Diterpenoids from Dodonaea viscosa.","Journal of natural products","2016","79","12","3117","3126","10.1021/acs.jnatprod.6b00858","","x-ray","1.54178","CuKα","","0.0571","0.0508","","0.0841","0.0806","0.0841","","","","","","0.9989","","","","has coordinates","234080","2020-10-21","18:00:00",""
"1553305","7.9309","0.0011","10.716","0.0014","31.529","0.004","90","","90","","90","","2679.6","0.6","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O5 -","- C30 H42 O5 -","- C120 H168 O20 -","4","1","","Olivier, Wesley J.; Kilah, Nathan L.; Horne, James; Bissember, Alex C.; Smith, Jason A.","ent-Labdane Diterpenoids from Dodonaea viscosa.","Journal of natural products","2016","79","12","3117","3126","10.1021/acs.jnatprod.6b00858","","x-ray","1.54178","CuKα","","0.0424","0.0386","","0.0767","0.0731","0.0767","","","","","","0.984","","","","has coordinates","234080","2020-10-21","18:00:00",""
"1553320","8.2214","0.0001","10.0997","0.0002","20.3117","0.0004","90","","90","","90","","1686.56","0.05","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Hu, Hai-Jun; Zhou, Yue; Han, Zhu-Zhen; Shi, Yan-Hong; Zhang, Shu-Sheng; Wang, Zheng-Tao; Yang, Li","Abietane Diterpenoids from the Roots of Clerodendrum trichotomum and Their Nitric Oxide Inhibitory Activities.","Journal of natural products","2018","81","7","1508","1516","10.1021/acs.jnatprod.7b00814","","","1.54178","CuKα","","0.0349","0.0341","","","0.0855","0.0866","","","","","","1.087","","","","has coordinates","234097","2020-10-21","18:00:00",""
"1553324","7.9251","0.0003","11.9865","0.0004","14.2732","0.0005","90","","90","","90","","1355.87","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Xie, Shuangshuang; Wu, Ye; Qiao, Yuben; Guo, Yi; Wang, Jianping; Hu, Zhengxi; Zhang, Qing; Li, Xiaonian; Huang, Jinfeng; Zhou, Qun; Luo, Zengwei; Liu, Junjun; Zhu, Hucheng; Xue, Yongbo; Zhang, Yonghui","Protoilludane, Illudalane, and Botryane Sesquiterpenoids from the Endophytic Fungus Phomopsis sp. TJ507A.","Journal of natural products","2018","81","6","1311","1320","10.1021/acs.jnatprod.7b00889","","","1.54178","CuKα","","0.0515","0.0513","","","0.1681","0.1684","","","","","","1.087","","","","has coordinates","234103","2020-10-21","18:00:00",""
"1553330","8.8766","0.0002","10.9773","0.0003","18.104","0.0005","90","","90","","90","","1764.07","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Qi, Xiao-Li; Zhang, Ying-Ying; Zhao, Peng; Zhou, Le; Wang, Xiao-Bo; Huang, Xiao-Xiao; Lin, Bin; Song, Shao-Jiang","ent-Kaurane Diterpenoids with Neuroprotective Properties from Corn Silk ( Zea mays).","Journal of natural products","2018","81","5","1225","1234","10.1021/acs.jnatprod.7b01017","","","1.54178","CuKα","","0.0695","0.0642","","","0.1545","0.1595","","","","","","1.115","","","","has coordinates","234112","2020-10-21","18:00:00",""
"1553336","4.5542","0.0001","11.4674","0.0003","25.3578","0.0007","90","","90","","90","","1324.31","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O6 -","- C15 H14 O6 -","- C60 H56 O24 -","4","1","","Cai, Runlin; Wu, Yingnan; Chen, Senhua; Cui, Hui; Liu, Zhaoming; Li, Chunyuan; She, Zhigang","Peniisocoumarins A-J: Isocoumarins from Penicillium commune QQF-3, an Endophytic Fungus of the Mangrove Plant Kandelia candel.","Journal of natural products","2018","81","6","1376","1383","10.1021/acs.jnatprod.7b01018","","","1.54178","CuKα","","0.0344","0.0319","","","0.0818","0.0838","","","","","","1.032","","","","has coordinates","234123","2020-10-21","18:00:00",""
"1553337","6.6328","0.0001","11.7781","0.0002","22.7943","0.0005","90","","90","","90","","1780.73","0.06","296","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Zhang, Chun-Yan; Zhang, Li-Jun; Lu, Zhi-Cheng; Ma, Chen-Yun; Ye, Ying; Rahman, Khalid; Zhang, Hong; Zhu, Jian-Yong","Antitumor Activity of Diterpenoids from Jatropha gossypiifolia: Cell Cycle Arrest and Apoptosis-Inducing Activity in RKO Colon Cancer Cells.","Journal of natural products","2018","81","8","1701","1710","10.1021/acs.jnatprod.7b01036","","","1.54178","CuKα","","0.0532","0.0491","","","0.1173","0.1213","","","","","","1.109","","","","has coordinates","234125","2020-10-21","18:00:00",""
"1553338","8.9197","0.0002","13.6933","0.0003","16.4126","0.0003","90","","90","","90","","2004.64","0.07","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Zhang, Chun-Yan; Zhang, Li-Jun; Lu, Zhi-Cheng; Ma, Chen-Yun; Ye, Ying; Rahman, Khalid; Zhang, Hong; Zhu, Jian-Yong","Antitumor Activity of Diterpenoids from Jatropha gossypiifolia: Cell Cycle Arrest and Apoptosis-Inducing Activity in RKO Colon Cancer Cells.","Journal of natural products","2018","81","8","1701","1710","10.1021/acs.jnatprod.7b01036","","","1.54178","CuKα","","0.0428","0.0397","","","0.1055","0.1078","","","","","","1.076","","","","has coordinates","234127","2020-10-21","18:00:00",""
"1553340","6.7584","0.0002","14.2353","0.0004","27.7506","0.0008","90","","90","","90","","2669.83","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Arbutin hydrate","","- C12 H18 O8 -","- C12 H18 O8 -","- C96 H144 O64 -","8","2","","Deans, Bianca J.; Kilah, Nathan L.; Jordan, Gregory J.; Bissember, Alex C.; Smith, Jason A.","Arbutin Derivatives Isolated from Ancient Proteaceae: Potential Phytochemical Markers Present in Bellendena, Cenarrhenes, and Persoonia Genera.","Journal of natural products","2018","81","5","1241","1251","10.1021/acs.jnatprod.7b01038","","x-ray","1.54178","CuKα","","0.0344","0.0306","","","0.0693","0.0711","","","","","","1.04","","","","has coordinates","234130","2020-10-21","18:00:00",""
"1553344","5.353","0.0011","17.855","0.004","19.903","0.004","90","","90","","90","","1902.3","0.7","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O10 -","- C21 H22 O10 -","- C84 H88 O40 -","4","1","","Deans, Bianca J.; Kilah, Nathan L.; Jordan, Gregory J.; Bissember, Alex C.; Smith, Jason A.","Arbutin Derivatives Isolated from Ancient Proteaceae: Potential Phytochemical Markers Present in Bellendena, Cenarrhenes, and Persoonia Genera.","Journal of natural products","2018","81","5","1241","1251","10.1021/acs.jnatprod.7b01038","","","0.71073","MoKα","","0.0443","0.0398","","","0.1089","0.1129","","","","","","1.071","","","","has coordinates","234138","2020-10-21","18:00:00",""
"1553346","8.0835","0.0002","14.1264","0.0003","21.173","0.0004","90","","90","","90","","2417.76","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","1","","Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.","Journal of natural products","2018","81","9","1937","1945","10.1021/acs.jnatprod.7b01050","","","1.54178","CuKα","","0.031","0.0308","","","0.0809","0.0811","","","","","","1.04","","","","has coordinates","234141","2020-10-21","18:00:00",""
"1553347","7.8574","0.0002","11.5792","0.0002","28.3079","0.0005","90","","90","","90","","2575.52","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O9 -","- C27 H40 O9 -","- C108 H160 O36 -","4","1","","Qi, Changxing; Liu, Mengting; Zhou, Qun; Gao, Weixi; Chen, Chunmei; Lai, Yongji; Hu, Zhengxi; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Li, Xiao-Nian; Zhang, Qing; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","BACE1 Inhibitory Meroterpenoids from Aspergillus terreus.","Journal of natural products","2018","81","9","1937","1945","10.1021/acs.jnatprod.7b01050","","","1.54178","CuKα","","0.0263","0.0262","","","0.0704","0.0707","","","","","","1.058","","","","has coordinates","234144","2020-10-21","18:00:00",""
"1553351","6.02825","0.00015","12.9002","0.0004","17.5524","0.0006","90","","90","","90","","1364.97","0.07","107.3","","107.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Zhang, Ruifei; Feng, Xiao; Su, Guozhu; Mu, Zejing; Zhang, Hexinge; Zhao, Yanan; Jiao, Shungang; Cao, Lan; Chen, Suyile; Tu, Pengfei; Chai, Xingyun","Bioactive Sesquiterpenoids from the Peeled Stems of Syringa pinnatifolia.","Journal of natural products","2018","81","8","1711","1720","10.1021/acs.jnatprod.7b01071","","","1.5418","CuKα","","0.0437","0.0403","","","0.1007","0.1037","","","","","","1.05","","","","has coordinates","234151","2020-10-21","18:00:00",""
"1553354","6.0342","0.0004","12.8921","0.0008","17.5406","0.001","90","","90","","90","","1364.54","0.15","107.4","","107.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Zhang, Ruifei; Feng, Xiao; Su, Guozhu; Mu, Zejing; Zhang, Hexinge; Zhao, Yanan; Jiao, Shungang; Cao, Lan; Chen, Suyile; Tu, Pengfei; Chai, Xingyun","Bioactive Sesquiterpenoids from the Peeled Stems of Syringa pinnatifolia.","Journal of natural products","2018","81","8","1711","1720","10.1021/acs.jnatprod.7b01071","","","1.5418","CuKα","","0.0381","0.0371","","","0.0972","0.0984","","","","","","1.041","","","","has coordinates","234156","2020-10-21","18:00:00",""
"1553358","7.1002","0.0009","12.6795","0.0015","18.118","0.002","90","","90","","90","","1631.1","0.3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Cl N2 O6 -","- C15 H19 Cl N2 O6 -","- C60 H76 Cl4 N8 O24 -","4","1","","Fitch, Richard W.; Snider, Barry B.; Zhou, Quan; Foxman, Bruce M.; Pandya, Anshul A.; Yakel, Jerrel L.; Olson, Thao T.; Al-Muhtasib, Nour; Xiao, Yingxian; Welch, Kevin D.; Panter, Kip E.","Absolute Configuration and Pharmacology of the Poison Frog Alkaloid Phantasmidine.","Journal of natural products","2018","81","4","1029","1035","10.1021/acs.jnatprod.8b00062","","","0.71073","MoKα","","0.0487","0.0392","","0.0788","0.0741","0.0788","","","","","","1.0003","","","","has coordinates","234164","2020-10-21","18:00:00",""
"1553361","7.4196","0.0003","10.8293","0.0005","17.811","0.0009","90","","90","","90","","1431.1","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Shi, Zhen-Zhen; Miao, Feng-Ping; Fang, Sheng-Tao; Yin, Xiu-Li; Ji, Nai-Yun","Trichorenins A-C, Algicidal Tetracyclic Metabolites from the Marine-Alga-Epiphytic Fungus Trichoderma virens Y13-3.","Journal of natural products","2018","81","4","1121","1124","10.1021/acs.jnatprod.8b00164","","","1.54178","CuKα","","0.0481","0.0424","","","0.1091","0.1136","","","","","","1.051","","","","has coordinates","234169","2020-10-21","18:00:00",""
"1553364","12.5134","0.0002","15.207","0.0002","20.2912","0.0003","90","","90","","90","","3861.24","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H54 O12 -","- C37 H54 O12 -","- C148 H216 O48 -","4","1","","Ye, Ye; Dawa, Drolma; Liu, Guang-Hui; Zhao, Min; Tseden, Dorje; Gu, Yu-Cheng; Ding, Li-Sheng; Cao, Zhi-Xing; Zhou, Yan","Antiproliferative Sesquiterpenoids from Ligularia rumicifolia with Diverse Skeletons.","Journal of natural products","2018","81","9","1992","2003","10.1021/acs.jnatprod.8b00197","","","1.54178","CuKα","","0.0312","0.0311","","","0.0791","0.0792","","","","","","1.068","","","","has coordinates","234173","2020-10-21","18:00:00",""
"1553367","9.2199","0.0003","11.2065","0.0006","19.177","0.001","90","","90","","90","","1981.42","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O7 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Yu, Zhang-Xin; Zheng, Cai-Juan; Chen, Guang-Ying; Huang, Rong-Li; Zhou, Xue-Ming; Niu, Zhi-Gang; Li, Xiao-Bao; Han, Chang-Ri; Song, Xiao-Ping","3,4- seco-Norclerodane Diterpenoids from the Roots of Polyalthia laui.","Journal of natural products","2019","82","1","27","34","10.1021/acs.jnatprod.8b00243","","","1.54184","CuKα","","0.0704","0.0595","","","0.1502","0.1613","","","","","","1.039","","","","has coordinates","234179","2020-10-21","18:00:00",""
"1553368","7.02787","0.00012","11.2128","0.0002","24.3184","0.0005","90","","90","","90","","1916.34","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","","Yu, Zhang-Xin; Zheng, Cai-Juan; Chen, Guang-Ying; Huang, Rong-Li; Zhou, Xue-Ming; Niu, Zhi-Gang; Li, Xiao-Bao; Han, Chang-Ri; Song, Xiao-Ping","3,4- seco-Norclerodane Diterpenoids from the Roots of Polyalthia laui.","Journal of natural products","2019","82","1","27","34","10.1021/acs.jnatprod.8b00243","","","1.54184","CuKα","","0.0431","0.0401","","","0.0972","0.1006","","","","","","1.066","","","","has coordinates","234181","2020-10-21","18:00:00",""
"1553369","7.22366","0.00009","15.7069","0.0002","17.8026","0.0002","90","","90","","90","","2019.91","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O5 -","- C20 H36 O5 -","- C80 H144 O20 -","4","1","","Yu, Zhang-Xin; Zheng, Cai-Juan; Chen, Guang-Ying; Huang, Rong-Li; Zhou, Xue-Ming; Niu, Zhi-Gang; Li, Xiao-Bao; Han, Chang-Ri; Song, Xiao-Ping","3,4- seco-Norclerodane Diterpenoids from the Roots of Polyalthia laui.","Journal of natural products","2019","82","1","27","34","10.1021/acs.jnatprod.8b00243","","","1.54184","CuKα","","0.0425","0.0399","","","0.1074","0.1102","","","","","","1.054","","","","has coordinates","234182","2020-10-21","18:00:00",""
"1553371","10.272","0.0001","16.583","0.0002","18.9486","0.0002","90","","90","","90","","3227.72","0.06","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17.5 H24 O3.5 -","- C17.5 H24 O3.5 -","- C140 H192 O28 -","8","2","","Huang, Guang-Hui; Hu, Zhu; Lei, Chun; Wang, Pei-Pei; Yang, Jing; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Enantiomeric Pairs of Meroterpenoids with Diverse Heterocyclic Systems from Rhododendron nyingchiense.","Journal of natural products","2018","81","8","1810","1818","10.1021/acs.jnatprod.8b00273","","","1.54178","CuKα","","0.036","0.0343","","","0.0937","0.0959","","","","","","1.047","","","","has coordinates","234186","2020-10-21","18:00:00",""
"1553373","6.0879","0.0004","8.0119","0.0006","29.617","0.002","90","","90","","90","","1444.59","0.17","293","2","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Huang, Guang-Hui; Hu, Zhu; Lei, Chun; Wang, Pei-Pei; Yang, Jing; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Enantiomeric Pairs of Meroterpenoids with Diverse Heterocyclic Systems from Rhododendron nyingchiense.","Journal of natural products","2018","81","8","1810","1818","10.1021/acs.jnatprod.8b00273","","","1.54178","CuKα","","0.0506","0.0376","","","0.1115","0.1208","","","","","","1.105","","","","has coordinates","234189","2020-10-21","18:00:00",""
"1553374","9.3465","0.0003","9.3699","0.0003","18.6281","0.0006","90","","90","","90","","1631.37","0.09","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","","Huang, Guang-Hui; Hu, Zhu; Lei, Chun; Wang, Pei-Pei; Yang, Jing; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Enantiomeric Pairs of Meroterpenoids with Diverse Heterocyclic Systems from Rhododendron nyingchiense.","Journal of natural products","2018","81","8","1810","1818","10.1021/acs.jnatprod.8b00273","","","1.54178","CuKα","","0.0328","0.0318","","","0.0871","0.0881","","","","","","1.069","","","","has coordinates","234190","2020-10-21","18:00:00",""
"1553375","10.1815","0.0002","10.1849","0.0002","15.7912","0.0003","90","","90","","90","","1637.51","0.06","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","","Huang, Guang-Hui; Hu, Zhu; Lei, Chun; Wang, Pei-Pei; Yang, Jing; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Enantiomeric Pairs of Meroterpenoids with Diverse Heterocyclic Systems from Rhododendron nyingchiense.","Journal of natural products","2018","81","8","1810","1818","10.1021/acs.jnatprod.8b00273","","","1.54178","CuKα","","0.042","0.0413","","","0.1078","0.1087","","","","","","1.08","","","","has coordinates","234192","2020-10-21","18:00:00",""
"1553382","7.73476","0.00008","8.02415","0.00008","25.5244","0.0003","90","","90","","90","","1584.17","0.03","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O7 -","- C16 H20 O7 -","- C64 H80 O28 -","4","1","","Pang, Xiaoyan; Lin, Xiuping; Yang, Jie; Zhou, Xuefeng; Yang, Bin; Wang, Junfeng; Liu, Yonghong","Spiro-Phthalides and Isocoumarins Isolated from the Marine-Sponge-Derived Fungus Setosphaeria sp. SCSIO41009.","Journal of natural products","2018","81","8","1860","1868","10.1021/acs.jnatprod.8b00345","","x-ray","1.54184","CuKα","","0.031","0.0306","","","0.084","0.0842","","","","","","1.101","","","","has coordinates","234204","2020-10-21","18:00:00",""
"1553385","6.7154","0.0008","15.1719","0.0015","17.1256","0.0015","90","","90","","90","","1744.8","0.3","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O6 -","- C18 H26 O6 -","- C72 H104 O24 -","4","1","","Xiong, Juan; Wang, Li-Jun; Qian, Jianchang; Wang, Pei-Pei; Wang, Xue-Jiao; Ma, Guang-Lei; Zeng, Huaqiang; Li, Jia; Hu, Jin-Feng","Structurally Diverse Sesquiterpenoids from the Endangered Ornamental Plant Michelia shiluensis.","Journal of natural products","2018","81","10","2195","2204","10.1021/acs.jnatprod.8b00386","","","1.54178","CuKα","","0.0591","0.0493","","","0.1258","0.1349","","","","","","1.019","","","","has coordinates","234209","2020-10-21","18:00:00",""
"1553388","8.32583","0.00011","13.41861","0.00019","29.848","0.0004","90","","90","","90","","3334.65","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 O6.5 -","- C19 H23 O6.5 -","- C152 H184 O52 -","8","2","","Huang, Hongbo; Song, Yongxiang; Li, Xin; Wang, Xin; Ling, Chunyao; Qin, Xiangjing; Zhou, Zhenbin; Li, Qinglian; Wei, Xiaoyi; Ju, Jianhua","Abyssomicin Monomers and Dimers from the Marine-Derived Streptomyces koyangensis SCSIO 5802.","Journal of natural products","2018","81","8","1892","1898","10.1021/acs.jnatprod.8b00448","","","1.54184","CuKα","","0.0372","0.0358","","","0.0952","0.096","","","","","","1.013","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1553389","6.6414","0.0001","14.9068","0.0001","17.8924","0.0002","90","","90","","90","","1771.38","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","","Huang, Hongbo; Song, Yongxiang; Li, Xin; Wang, Xin; Ling, Chunyao; Qin, Xiangjing; Zhou, Zhenbin; Li, Qinglian; Wei, Xiaoyi; Ju, Jianhua","Abyssomicin Monomers and Dimers from the Marine-Derived Streptomyces koyangensis SCSIO 5802.","Journal of natural products","2018","81","8","1892","1898","10.1021/acs.jnatprod.8b00448","","","1.54184","CuKα","","0.0318","0.0312","","","0.0853","0.0857","","","","","","1.103","","","","has coordinates","234215","2020-10-21","18:00:00",""
"1553395","6.9345","0.0002","13.2666","0.0004","28.7946","0.0008","90","","90","","90","","2649.02","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 O9 -","- C27 H46 O9 -","- C108 H184 O36 -","4","1","","Sun, Na; Zhu, Yan; Zhou, Haofeng; Zhou, Junfei; Zhang, Hanqi; Zhang, Mengke; Zeng, Hong; Yao, Guangmin","Grayanane Diterpenoid Glucosides from the Leaves of Rhododendron micranthum and Their Bioactivities Evaluation.","Journal of natural products","2018","81","12","2673","2681","10.1021/acs.jnatprod.8b00490","","","1.54178","CuKα","","0.0392","0.0335","","","0.0782","0.081","","","","","","1.032","","","","has coordinates","234227","2020-10-21","18:00:00",""
"1553397","9.209","0.0001","14.6102","0.0002","18.3937","0.0003","90","","90","","90","","2474.79","0.06","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O4 -","- C30 H42 O4 -","- C120 H168 O16 -","4","1","","Tabefam, Marzieh; Moridi Farimani, Mahdi; Danton, Ombeline; Ramseyer, Justine; Nejad Ebrahimi, Samad; Neuburger, Markus; Kaiser, Marcel; Salehi, Peyman; Potterat, Olivier; Hamburger, Matthias","Antiprotozoal Isoprenoids from Salvia hydrangea.","Journal of natural products","2018","81","12","2682","2691","10.1021/acs.jnatprod.8b00498","","","1.34143","GaKα","","0.0255","0.025","","0.0297","0.0291","0.029","","","","","","1.0761","","","","has coordinates","234230","2020-10-21","18:00:00",""
"1553402","9.7873","0.0003","10.4684","0.0003","18.7272","0.0006","90","","90","","90","","1918.74","0.1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O8 -","- C21 H24 O8 -","- C84 H96 O32 -","4","1","","Fragoso-Serrano, Mabel; Ortiz-Pastrana, Naytzé; Luna-Cruz, Norma; Toscano, Rubén A; Alpuche-Solís, Angel G; Ortega, Alfredo; Bautista, Elihú","Amarisolide F, an Acylated Diterpenoid Glucoside and Related Terpenoids from Salvia amarissima.","Journal of natural products","2019","82","3","631","635","10.1021/acs.jnatprod.8b00565","","","1.54178","CuKα","","0.0417","0.0374","","","0.0956","0.0995","","","","","","1.037","","","","has coordinates","234240","2020-10-21","18:00:00",""
"1553403","6.9791","0.0001","12.6221","0.0002","22.9412","0.0004","90","","90","","90","","2020.91","0.06","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O8 -","- C22 H22 O8 -","- C88 H88 O32 -","4","1","","Fragoso-Serrano, Mabel; Ortiz-Pastrana, Naytzé; Luna-Cruz, Norma; Toscano, Rubén A; Alpuche-Solís, Angel G; Ortega, Alfredo; Bautista, Elihú","Amarisolide F, an Acylated Diterpenoid Glucoside and Related Terpenoids from Salvia amarissima.","Journal of natural products","2019","82","3","631","635","10.1021/acs.jnatprod.8b00565","","","1.54178","CuKα","","0.0662","0.0496","","","0.126","0.1412","","","","","","1.035","","","","has coordinates","234241","2020-10-21","18:00:00",""
"1553419","9.1158","0.0003","9.8126","0.0003","28.3116","0.0009","90","","90","","90","","2532.46","0.14","294.29","0.1","294.29","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 F3 N O5 -","- C28 H22 F3 N O5 -","- C112 H88 F12 N4 O20 -","4","1","","Gao, Tai-Ping; Liu, Dan; Lin, Jun-Bing; Hu, Xiu-Qin; Wang, Zhu-Yin; Xu, Peng-Fei","Direct construction of chiral quaternary dihydropyranones through highly enantioselective organocatalytic hetero-Diels‒Alder reactions of olefinic azlactones","Organic Chemistry Frontiers","2016","3","5","598","","10.1039/C6QO00018E","","","1.54184","CuKα","","0.0838","0.0533","","","0.12","0.1481","","","","","","1.013","","","","has coordinates,has disorder","234975","2020-10-21","18:00:00",""
"1553421","11.701","0.002","14.628","0.003","25.939","0.005","90","","90","","90","","4439.8","1.5","273","2","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C1.798 H2.517 Cl0.09 N0.18 O0.404 S0.09 -","- C1.79775 H2.51685 Cl0.0898876 N0.179775 O0.404494 S0.0898876 -","- C160 H224 Cl8 N16 O36 S8 -","89","22.25","","Ye, Jian-Liang; Chen, Hang; Zhang, Yu-Feng; Huang, Pei-Qiang","A versatile access to vicinal diamine motifs by highly anti-selective asymmetric vinylogous Mannich reactions: an efficient total synthesis of (+)-absouline","Organic Chemistry Frontiers","2016","3","6","683","","10.1039/C6QO00022C","","","0.71073","MoKα","","0.093","0.0653","","","0.1515","0.1711","","","","","","1.0281","","","","has coordinates","234977","2020-10-21","18:00:00",""
"1553430","8.1449","0.0002","10.8999","0.0004","16.4545","0.0006","90","","90","","90","","1460.81","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O2 -","- C17 H16 Cl N O2 -","- C68 H64 Cl4 N4 O8 -","4","1","","Vyas, Vijyesh K.; Bhanage, Bhalchandra M.","Asymmetric transfer hydrogenation of seven membered tricyclic ketones: N-substituted dibenzo[b,e]azepine-6,11-dione driven by nonclassical CH/O interactions","Organic Chemistry Frontiers","2016","3","5","614","","10.1039/C6QO00036C","","x-ray","1.54184","CuKα","","0.0619","0.05","","","0.1187","0.1301","","","","","","1.028","","","","has coordinates","234987","2020-10-21","18:00:00",""
"1553444","5.9262","0.0004","8.0475","0.0005","31.957","0.002","90","","90","","90","","1524.06","0.17","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","1","","Phanindrudu, Mandalaparthi; Tiwari, Dipak Kumar; Sridhar, B.; Likhar, Pravin R.; Tiwari, Dharmendra Kumar","Magnetically separable nano-copper catalyzed unprecedented stereoselective synthesis of E-vinyl sulfones from tosylmethyl isocyanide and alkynes: TosMIC as a source of the sulfonyl group","Organic Chemistry Frontiers","2016","3","7","795","","10.1039/C6QO00063K","","","0.71073","MoKα","","0.089","0.0663","","","0.1648","0.1804","","","","","","1.117","","","","has coordinates,has disorder","235001","2020-10-21","18:00:00",""
"1553449","9.02156","0.00013","9.44417","0.00011","30.948","0.0004","90","","90","","90","","2636.81","0.06","291.29","0.1","291.29","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 N O6 -","- C32 H25 N O5.955 -","- C128 H100 N4 O23.82 -","4","1","","Ran, Guang-Yao; Wang, Pan; Du, Wei; Chen, Ying-Chun","α-Regioselective [3 + 2] annulations with Morita‒Baylis‒Hillman carbonates of isatins and 2-nitro-1,3-enynes","Organic Chemistry Frontiers","2016","3","7","861","","10.1039/C6QO00118A","","x-ray","1.54184","CuKα","","0.0536","0.0532","","","0.1478","0.1485","","","","","","1.029","","","","has coordinates,has disorder","235009","2020-10-21","18:00:00",""
"1553467","4.4197","0.0005","11.6677","0.0013","22.915","0.002","90","","90","","90","","1181.7","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","","Zhang, Xu; Xu, Bin; Xu, Ming-Hua","Rhodium-catalyzed asymmetric arylation of N- and O-containing cyclic aldimines: facile and efficient access to highly optically active 3,4-dihydrobenzo[1,4]oxazin-2-ones and dihydroquinoxalinones","Organic Chemistry Frontiers","2016","3","8","944","","10.1039/C6QO00191B","","","0.71073","MoKα","","0.1053","0.0562","","","0.0883","0.0994","","","","","","1.021","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1553487","8.4058","0.0003","10.8659","0.0004","21.9188","0.0009","90","","90","","90","","2001.99","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-3o","","- C21 H19 Br N2 O4 -","- C21 H19 Br N2 O4 -","- C84 H76 Br4 N8 O16 -","4","1","","Ma, Qiao; Gong, Lei; Meggers, Eric","Enantioselective β-alkylation of pyrroles with the formation of an all-carbon quaternary stereocenter","Organic Chemistry Frontiers","2016","3","10","1319","","10.1039/C6QO00273K","","","0.71073","MoKα","","0.0545","0.0449","","","0.0864","0.0898","","","","","","0.999","","","","has coordinates","235049","2020-10-21","18:00:00",""
"1553492","11.5223","0.0012","14.9948","0.0015","16.4141","0.0017","90","","90","","90","","2835.9","0.5","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O6 Si -","- C29 H44 O6 Si -","- C116 H176 O24 Si4 -","4","1","","Pérez-Estrada, S.; Sayar, N.; Granja, J. R.","Towards taxane analogues synthesis by dienyne ring closing metathesis","Organic Chemistry Frontiers","2016","3","10","1331","","10.1039/C6QO00321D","","x-ray","0.71073","MoKα","","0.06","0.0423","","","0.0857","0.0937","","","","","","1.019","","","","has coordinates","235056","2020-10-21","18:00:00",""
"1553498","7.51038","0.0001","17.3551","0.0002","23.2172","0.0004","90","","90","","90","","3026.21","0.07","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triple 3c","","- C14 H17 N5 O4 -","- C14 H17 N5 O4 -","- C112 H136 N40 O32 -","8","2","","Naik, Siddhi D.; Chandra, Girish; Sahu, Pramod K.; Kim, Hong-Rae; Qu, Shuhao; Yoon, Ji-seong; Jeong, Lak Shin","Stereo- and regio-selective synthesis of 3′-C-substituted-(N)-methanocarba adenosines as potential anticancer agents","Organic Chemistry Frontiers","2016","3","11","1472","","10.1039/C6QO00358C","","x-ray","1.54184","CuKα","","0.028","0.0264","","","0.067","0.068","","","","","","1.027","","","","has coordinates","235066","2020-10-21","18:00:00",""
"1553501","4.8217","0.0003","10.1093","0.0006","31.14","0.002","90","","90","","90","","1517.89","0.16","193","","","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 N -","- C24 H15 N -","- C96 H60 N4 -","4","1","","Zagranyarski, Yulian; Skabeev, Artem; Ma, Yingjie; Müllen, Klaus; Li, Chen","Facile synthesis of annulated heterocyclic benzo[kl]acridine derivatives via one-pot N‒H/C‒H coupling","Organic Chemistry Frontiers","2016","3","11","1520","","10.1039/C6QO00371K","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","235073","2020-10-21","18:00:00",""
"1553506","8.681","0.007","17.323","0.014","32.77","0.03","90","","90","","90","","4928","7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N2 O2 -","- C31 H27 N2 O2 -","- C248 H216 N16 O16 -","8","2","","Chen, Zhen; Huo, Yuwen; An, Ping; Wang, Xichao; Song, Chun; Ma, Yudao","[2.2]Paracyclophane-based N-heterocyclic carbene as efficient catalyst or as ligand for copper catalyst for asymmetric α-silylation of N-tosylaldimines","Organic Chemistry Frontiers","2016","3","12","1725","","10.1039/C6QO00386A","","","0.71073","MoKα","","0.1149","0.0538","","","0.1064","0.1312","","","","","","0.974","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553508","6.03","0.001","16.334","0.001","18.224","0.001","90","","90","","90","","1795","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((3'R,3a'R,4'R,5'R)-4',5'-di-tert-butoxytetrahydro-3'H-spiro [cyclopropane-1,2'-pyrrolo[1,2-b]isoxazol]-3'-yl)methanol","","- C17 H31 N O4 -","- C17 H31 N O4 -","- C68 H124 N4 O16 -","4","1","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.041","0.0333","","","0.0786","0.0921","","","","","","1.1","","","","has coordinates","235079","2020-10-21","18:00:00",""
"1553510","6.078","0.0002","10.204","0.0003","19.957","0.0006","90","","90","","90","","1237.73","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aS,7R,8S,8aR)-8-(tert-butoxy)hexahydro-1,7-methanopyrano [4,3-b]pyridin-4(7H)-one","","- C13 H21 N O3 -","- C13 H21 N O3 -","- C52 H84 N4 O12 -","4","1","","Cordero, F. M.; Vurchio, C.; Faggi, C.; Brandi, A.","Configuration-guided reactions: the case of highly decorated spiro[cyclopropane-1,2′(3′H)-pyrrolo[1,2-b]isoxazole] derivatives en route to polyhydroxyindolizidines","Organic Chemistry Frontiers","2016","3","12","1651","","10.1039/C6QO00410E","","","1.54178","CuKα","","0.0518","0.0401","","","0.09","0.0961","","","","","","1.07","","","","has coordinates","235079","2020-10-21","18:00:00",""
"1553519","11.5593","0.0003","14.0068","0.0003","17.8914","0.0004","90","","90","","90","","2896.78","0.12","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 F2 N2 O2 -","- C36 H32 F2 N2 O2 -","- C144 H128 F8 N8 O8 -","4","1","","Zhu, Zi-Qi; Yin, Lei; Wang, Yang; Shen, Yang; Li, Can; Mei, Guang-Jian; Shi, Feng","Diastereo- and enantioselective construction of biologically important pyrrolo[1,2-a]indole scaffolds via catalytic asymmetric [3 + 2] cyclodimerizations of 3-alkyl-2-vinylindoles","Organic Chemistry Frontiers","2017","4","1","57","","10.1039/C6QO00446F","","","1.54178","CuKα","","0.0409","0.0361","","","0.1029","0.1084","","","","","","0.821","","","","has coordinates","235091","2020-10-21","18:00:00",""
"1553531","6.52391","0.0001","12.9427","0.0002","31.7963","0.0006","90","","90","","90","","2684.78","0.08","154.89","0.1","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","","Li, Zheng-Yu; Qi, Feng-Ming; Zhi, De-Juan; Hu, Qiao-Ling; Liu, Ying-Hong; Zhang, Zhan-Xin; Fei, Dong-Qing","A novel spirocyclic triterpenoid and a new taraxerane triterpenoid from Teucrium viscidum","Organic Chemistry Frontiers","2017","4","1","42","","10.1039/C6QO00460A","","x-ray","1.54184","CuKα","","0.0436","0.0381","","","0.0965","0.1006","","","","","","1.023","","","","has coordinates","235102","2020-10-21","18:00:00",""
"1553558","7.9447","0.0003","10.3826","0.0004","17.0108","0.0007","90","","90","","90","","1403.16","0.1","300","","300","","","","","","","","Synthesized compound","3","P 21 21 21","P 2ac 2ab","19","","2,3-diphenylbenzofuran","","- C20 H14 O -","- C20 H14 O -","- C80 H56 O4 -","4","1","","Sreenivasulu, Chinnabattigalla; Gopi Krishna Reddy, A.; Satyanarayana, G.","Oxidative annulations triggered by a simple Lewis acid: facile synthesis of benzofurans","Organic Chemistry Frontiers","2017","4","6","972","","10.1039/C6QO00531D","","","1.54184","CuKα","","0.0579","0.0502","","","0.1222","0.1338","","","","","","1.0451","","","","has coordinates","235134","2020-10-21","18:00:00",""
"1553569","9.662","0.004","12.286","0.006","24.441","0.011","90","","90","","90","","2901","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Br N4 O3 -","- C31 H27 Br N4 O3 -","- C124 H108 Br4 N16 O12 -","4","1","","Cheng, Cang; Lu, Xuehe; Ge, Luo; Chen, Jie; Cao, Weiguo; Wu, Xiaoyu; Zhao, Gang","Effective asymmetric vinylogous Mannich reaction of isatin imines with α,α-dicyanoolefins in the presence of a simple chiral amide phosphonium bifunctional phase transfer catalyst","Organic Chemistry Frontiers","2017","4","1","101","","10.1039/C6QO00546B","","","0.71073","MoKα","","0.0536","0.0363","","","0.0791","0.0854","","","","","","1.034","","","","has coordinates","235147","2020-10-21","18:00:00",""
"1553571","7.2915","0.0005","12.7983","0.001","15.9552","0.0009","90","","90","","90","","1488.92","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl N2 O3 -","- C15 H17 Cl N2 O3 -","- C60 H68 Cl4 N8 O12 -","4","1","","Peng, Xiao-Jiao; Ho, Yee Ann; Wang, Zhi-Peng; Shao, Pan-Lin; Zhao, Yu; He, Yun","Formal [3 + 2] cycloaddition of α-unsubstituted isocyanoacetates and methyleneindolinones: enantioselective synthesis of spirooxindoles","Organic Chemistry Frontiers","2017","4","1","81","","10.1039/C6QO00555A","","","0.71073","MoKα","","0.071","0.0481","","","0.095","0.1103","","","","","","1.052","","","","has coordinates","235151","2020-10-21","18:00:00",""
"1553572","7.74798","0.00019","9.1129","0.0002","21.719","0.0005","90","","90","","90","","1533.5","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl F3 N3 O3 -","- C15 H11 Cl F3 N3 O3 -","- C60 H44 Cl4 F12 N12 O12 -","4","1","","Hao, Xin-Qi; Wang, Cong; Liu, Shuang-Liang; Wang, Xiao; Wang, Li; Gong, Jun-Fang; Song, Mao-Ping","Cobalt(ii)/(imidazoline‒oxazoline)-catalyzed enantioselective Michael addition of 2-acetyl azaarenes to β-CF3-β-disubstituted nitroalkenes","Organic Chemistry Frontiers","2017","4","2","308","","10.1039/C6QO00562D","","x-ray","1.54184","CuKα","","0.039","0.0367","","","0.0913","0.094","","","","","","1.069","","","","has coordinates","235153","2020-10-21","18:00:00",""
"1553578","5.651","0.002","16.364","0.007","38.4918","0.0016","90","","90","","90","","3559","2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Br F O2 -","- C11 H14 Br F O2 -","- C132 H168 Br12 F12 O24 -","12","3","","Li, Jing; Li, Zequan; Zhang, Xun; Xu, Bing; Shi, Yian","Catalytic enantioselective bromohydroxylation of aryl olefins with flexible functionalities","Organic Chemistry Frontiers","2017","4","6","1084","","10.1039/C6QO00636A","","","0.71073","MoKα","","0.0824","0.0694","","","0.1075","0.1135","","","","","","1.159","","","","has coordinates","235164","2020-10-21","18:00:00",""
"1553603","12.2302","0.0009","15.3106","0.0011","36.571","0.003","90","","90","","90","","6848","0.9","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C71 H46 B F24 Ir N O P -","- C71 H46 B F24 Ir N O P -","- C284 H184 B4 F96 Ir4 N4 O4 P4 -","4","1","","Wang, Qian; Zhang, Zongpeng; Chen, Caiyou; Yang, Hailong; Han, Zhengyu; Dong, Xiu-Qin; Zhang, Xumu","Iridium catalysts with modular axial-unfixed biphenyl phosphine‒oxazoline ligands: asymmetric hydrogenation of α,β-unsaturated carboxylic acids","Organic Chemistry Frontiers","2017","4","4","627","","10.1039/C6QO00677A","","","0.71073","MoKα","","0.0652","0.045","","","0.1009","0.1099","","","","","","1.007","","","","has coordinates","235193","2020-10-21","18:00:00",""
"1553611","9.9046","0.0013","10.4946","0.0012","23.736","0.003","90","","90","","90","","2467.2","0.5","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Cl0 N O4 -","- C31 H23 N O4 -","- C124 H92 N4 O16 -","4","1","","Xu, Junyu; Cao, Jing; Fang, Chao; Lu, Tao; Du, Ding","Organocatalytic C‒C bond activation of cyclopropenones for ring-opening formal [3 + 2] cycloaddition with isatins","Organic Chemistry Frontiers","2017","4","4","560","","10.1039/C6QO00734A","","","0.71073","MoKα","","0.1682","0.0492","","","0.0947","0.1414","","","","","","0.943","","","","has coordinates","235205","2020-10-21","18:00:00",""
"1553615","8.189","0.002","14.782","0.004","17.421","0.005","90","","90","","90","","2108.8","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 S2 -","- C23 H19 N O2 S2 -","- C92 H76 N4 O8 S8 -","4","1","","Guo, Wei-Si; Wang, Yuan-Chao; Dou, Qian; Wen, Li-Rong; Li, Ming","A copper-catalyzed arylation/nucleophilic addition/fragmentation/C‒S bond formation cascade: synthesis of bis(arylthio)imines","Organic Chemistry Frontiers","2017","4","4","510","","10.1039/C6QO00739B","","","0.71073","MoKα","","0.0577","0.052","","","0.0937","0.0959","","","","","","1.15","","","","has coordinates","235209","2020-10-21","18:00:00",""
"1553629","10.5417","0.0004","14.8356","0.0005","24.1274","0.0008","90","","90","","90","","3773.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H29 Cl3 O4 -","- C51 H29 Cl3 O4 -","- C204 H116 Cl12 O16 -","4","1","","Cheung, Kwan Yin; Yang, Shuaijun; Miao, Qian","From tetrabenzoheptafulvalene to sp2 carbon nano-rings","Organic Chemistry Frontiers","2017","4","5","699","","10.1039/C6QO00828C","","","1.54178","CuKα","","0.0909","0.0536","","","0.1126","0.131","","","","","","1.023","","","","has coordinates","235222","2020-10-21","18:00:00",""
"1553632","8.8208","0.0003","12.857","0.0004","18.1141","0.0005","90","","90","","90","","2054.3","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O5 S -","- C20 H19 Br N2 O5 S -","- C80 H76 Br4 N8 O20 S4 -","4","1","","Yu, Lu; Cheng, Yuyu; Qi, Fei; Li, Rou; Li, Pengfei","Organocatalytic regioselective, diastereoselective, and enantioselective annulation of cyclic 1-azadienes with γ-nitro ketones via 3,4-cyclization","Organic Chemistry Frontiers","2017","4","7","1336","","10.1039/C6QO00832A","","","0.71073","MoKα","","0.1259","0.0514","","","0.0608","0.0689","","","","","","0.994","","","","has coordinates","235224","2020-10-21","18:00:00",""
"1553636","7.7445","0.0012","13.971","0.002","19.15","0.003","90","","90","","90","","2072","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2'R,3'R,4'R)-4'-benzoyl-1-methyl-3'-phenyl-5'-thioxospiro[indoline-3,2'-pyrrolidin]-2-one","","- C25 H20 N2 O2 S -","- C25 H20 N2 O2 S -","- C100 H80 N8 O8 S4 -","4","1","","Lin, Ye; Liu, Lei; Du, Da-Ming","Squaramide-catalyzed asymmetric Michael/cyclization cascade reaction of 3-isothiocyanato oxindoles with chalcones for synthesis of pyrrolidinyl spirooxindoles","Organic Chemistry Frontiers","2017","4","7","1229","","10.1039/C6QO00852F","","","0.71073","MoKα","","0.0394","0.0361","","","0.0806","0.0827","","","","","","1.001","","","","has coordinates","235233","2020-10-21","18:00:00",""
"1553637","8.4855","0.0004","15.887","0.0007","25.5299","0.0013","90","","90","","90","","3441.7","0.3","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N3 O5 -","- C16 H21 N3 O5 -","- C128 H168 N24 O40 -","8","2","","Deng, Tao; Thota, Ganesh Kumar; Li, Yi; Kang, Qiang","Enantioselective conjugate addition of hydroxylamines to α,β-unsaturated 2-acyl imidazoles catalyzed by a chiral-at-metal Rh(iii) complex","Organic Chemistry Frontiers","2017","4","4","573","","10.1039/C6QO00865H","","","1.54184","CuKα","","0.0489","0.0384","","","0.0804","0.0857","","","","","","1.003","","","","has coordinates","235235","2020-10-21","18:00:00",""
"1553670","6.29545","0.00012","15.9502","0.0004","28.8235","0.0007","90","","90","","90","","2894.27","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 N4 O6 -","- C30 H34 N4 O6 -","- C120 H136 N16 O24 -","4","1","","Zhang, Xiaohong; Shi, Jun; Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhou, Xiangge; Xiang, Haifeng","Non-conjugated fluorescent molecular cages of salicylaldehyde-based tri-Schiff bases: AIE, enantiomers, mechanochromism, anion hosts/probes, and cell imaging properties","Materials Chemistry Frontiers","2017","1","6","1041","","10.1039/C7QM00097A","","x-ray","1.54184","CuKα","","0.0621","0.0576","","","0.1545","0.164","","","","","","1.028","","","","has coordinates,has disorder","235880","2020-10-21","18:00:00",""
"1553682","6.1493","0.0013","12.443","0.003","19.762","0.004","90","","90","","90","","1512.1","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 I N O2 -","- C17 H16 I N O2 -","- C68 H64 I4 N4 O8 -","4","1","","Butler, Tristan; Wang, Fang; Sabat, Michal; Fraser, Cassandra L.","Controlling solid-state optical properties of stimuli responsive dimethylamino-substituted dibenzoylmethane materials","Materials Chemistry Frontiers","2017","1","9","1804","","10.1039/C7QM00157F","","","0.71073","MoKα","","0.0167","0.0165","","","0.0426","0.0427","","","","","","1.827","","","","has coordinates","235889","2020-10-21","18:00:00",""
"1553726","11.4884","0.0005","11.9792","0.0005","20.8251","0.0008","90","","90","","90","","2866","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O7 -","- C16 H15 N O7 -","- C128 H120 N8 O56 -","8","2","","Wang, Junliang; Li, Jianneng; Shen, Xianwang; Dong, Cong; Lin, Jun; Wei, Kun","Asymmetric total synthesis of (−)-δ-lycorane","Organic Chemistry Frontiers","2017","4","6","1149","","10.1039/C7QO00021A","","","1.54178","CuKα","","0.0535","0.0527","","","0.1534","0.1545","","","","","","1.034","","","","has coordinates","235946","2020-10-21","18:00:00",""
"1553729","6.6977","0.0005","8.1914","0.0006","30.513","0.002","90","","90","","90","","1674.1","0.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H10 F4 O2 S -","- C19 H10 F4 O2 S -","- C76 H40 F16 O8 S4 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0353","0.0334","","","0.0865","0.0875","","","","","","1.067","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553730","7.5426","0.0006","13.2312","0.001","15.9887","0.0013","90","","90","","90","","1595.6","0.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F3 O5 S -","- C15 H15 F3 O5 S -","- C60 H60 F12 O20 S4 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0307","0.0273","","","0.07","0.0719","","","","","","1.033","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553731","8.5502","0.0008","11.0835","0.0011","16.8212","0.0016","90","","90","","90","","1594.1","0.3","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 F3 N2 O S -","- C17 H11 F3 N2 O S -","- C68 H44 F12 N8 O4 S4 -","4","1","","Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong","(1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation","Organic Chemistry Frontiers","2017","4","6","1051","","10.1039/C7QO00042A","","","0.71073","MoKα","","0.0471","0.0397","","","0.0975","0.1022","","","","","","1.036","","","","has coordinates","235951","2020-10-21","18:00:00",""
"1553755","8.086","0.005","14.196","0.005","23.304","0.005","90","0.005","90","0.005","90","0.005","2675","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7.75 H7.75 F7.75 N7.75 O7.75 S7.75 -","- C30 H19 F3 N O5 S2 -","- C120 H76 F12 N4 O20 S8 -","4","1","","Pouambeka, Tony Wheellyam; Zhang, Ge; Zheng, Guang-Fan; Xu, Guo-Xing; Zhang, Qian; Xiong, Tao; Zhang, Qian","Copper-catalyzed oxidative amidation of α,β-unsaturated ketones via selective C‒H or C‒C bond cleavage","Organic Chemistry Frontiers","2017","4","7","1420","","10.1039/C7QO00146K","","","0.71069","MoKα","","0.0936","0.064","","","0.1363","0.1534","","","","","","1.03","","","","has coordinates","235982","2020-10-21","18:00:00",""
"1553756","5.9608","0.0004","18.7773","0.0009","20.3817","0.0011","90","","90","","90","","2281.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O2 S2 -","- C27 H21 N O2 S2 -","- C108 H84 N4 O8 S8 -","4","1","","Shi, Qing; Li, Pinhua; Zhang, Yan; Wang, Lei","Visible light-induced tandem oxidative cyclization of 2-alkynylanilines with disulfides (diselenides) to 3-sulfenyl- and 3-selenylindoles under transition metal-free and photocatalyst-free conditions","Organic Chemistry Frontiers","2017","4","7","1322","","10.1039/C7QO00152E","","","0.71073","MoKα","","0.041","0.0337","","","0.0813","0.0861","","","","","","1.026","","","","has coordinates","235984","2020-10-21","18:00:00",""
"1553758","8.3955","0.0002","14.09","0.0004","16.7651","0.0005","90","","90","","90","","1983.19","0.09","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br F3 N2 O6 -","- C17 H18 Br F3 N2 O6 -","- C68 H72 Br4 F12 N8 O24 -","4","1","","Liu, Qiang; Zhao, Kun; Zhi, Ying; Raabe, Gerhard; Enders, Dieter","Squaramide-catalyzed domino Michael/aza-Henry [3 + 2] cycloaddition: asymmetric synthesis of functionalized 5-trifluoromethyl and 3-nitro substituted pyrrolidines","Organic Chemistry Frontiers","2017","4","7","1416","","10.1039/C7QO00161D","","","1.54178","CuKα","","0.028","0.028","","0.031","","0.031","","","1.002","","","1.006","","","","has coordinates","235987","2020-10-21","18:00:00",""
"1553761","7.738","0.0005","11.656","0.0008","14.0895","0.0008","90","","90","","90","","1270.79","0.14","298.84","0.1","298.84","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2',3'-dihydrospiro[cyclopentane-1,1'-cyclopenta[a]naphthalen]-2-one","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Zhang, Bo-Sheng; Hua, Hui-Liang; Gao, Lu-Yao; Liu, Ce; Qiu, Yi-Feng; Zhou, Ping-Xin; Zhou, Zhao-Zhao; Zhao, Jia-Hui; Liang, Yong-Min","Palladium-catalyzed arene C‒H activation/ketone C‒H functionalization reaction: route to spirodihydroindenones","Organic Chemistry Frontiers","2017","4","7","1376","","10.1039/C7QO00164A","","x-ray","0.71073","MoKα","","0.0845","0.0553","","","0.112","0.1329","","","","","","1.109","","","","has coordinates","235990","2020-10-21","18:00:00",""
"1553777","5.7817","0.0012","8.2558","0.001","19.972","0.002","90","","90","","90","","953.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O2 S -","- C10 H12 O2 S -","- C40 H48 O8 S4 -","4","1","","Meng, Ke; Xia, Jingzhao; Wang, Yanzhao; Zhang, Xinghua; Yang, Guoqiang; Zhang, Wanbin","Ir/BiphPHOX-catalyzed asymmetric hydrogenation of 3-substituted 2,5-dihydropyrroles and 2,5-dihydrothiophene 1,1-dioxides","Organic Chemistry Frontiers","2017","4","8","1601","","10.1039/C7QO00248C","","","1.54178","CuKα","","0.0341","0.034","","","0.0898","0.09","","","","","","1.079","","","","has coordinates","236017","2020-10-21","18:00:00",""
"1553786","8.5817","0.0002","10.4128","0.0003","27.6259","0.0007","90","","90","","90","","2468.64","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl F3 N O3 -","- C27 H23 Cl F3 N O3 -","- C108 H92 Cl4 F12 N4 O12 -","4","1","","Liu, Bing; Zhang, Zhan-Ming; Xu, Bing; Xu, Shan; Wu, Hai-Hong; Liu, Yuanyuan; Zhang, Junliang","Cu(i)-catalyzed Michael addition of ketiminoesters to β-trifluoromethyl β,β-disubstituted enones: rapid access to 1-pyrrolines bearing a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2017","4","9","1772","","10.1039/C7QO00291B","","","0.71073","MoKα","","0.0445","0.034","","","0.077","0.0828","","","","","","1.054","","","","has coordinates","236029","2020-10-21","18:00:00",""
"1553787","6.2282","0.0002","7.0351","0.0002","36.2461","0.0013","90","","90","","90","","1588.16","0.09","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N O2 S -","- C15 H16 F3 N O2 S -","- C60 H64 F12 N4 O8 S4 -","4","1","","Liu, Bing; Zhang, Zhan-Ming; Xu, Bing; Xu, Shan; Wu, Hai-Hong; Liu, Yuanyuan; Zhang, Junliang","Cu(i)-catalyzed Michael addition of ketiminoesters to β-trifluoromethyl β,β-disubstituted enones: rapid access to 1-pyrrolines bearing a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2017","4","9","1772","","10.1039/C7QO00291B","","","0.71073","MoKα","","0.0481","0.0415","","","0.1071","0.1119","","","","","","1.06","","","","has coordinates","236029","2020-10-21","18:00:00",""
"1553792","9.0757","0.0002","10.4623","0.0002","26.2445","0.0005","90","","90","","90","","2491.99","0.09","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 O2 P -","- C33 H27 O2 P -","- C132 H108 O8 P4 -","4","1","","Li, Bin; Zhang, Mingkai; Huang, Xulun; Gu, Zhenhua","Synthesis of 2,3-dihydro-1H-phosphindole-1-oxides via the t-BuLi-mediated rearrangement of vinyl bromides and phosphine oxides","Organic Chemistry Frontiers","2017","4","9","1854","","10.1039/C7QO00310B","","","1.54184","CuKα","","0.0326","0.0313","","","0.0828","0.0843","","","","","","1.046","","","","has coordinates","236035","2020-10-21","18:00:00",""
"1553806","8.8173","0.0004","14.3926","0.0007","15.3659","0.0007","90","","90","","90","","1949.99","0.16","105.8","","105.8","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O5 S -","- C22 H19 N O5 S -","- C88 H76 N4 O20 S4 -","4","1","","Xie, Lei; Ma, Hongli; Li, Jiaqi; Yu, Yuan; Qin, Zhaohai; Fu, Bin","Ni(ii)-Catalyzed enantioselective Mukaiyama‒Mannich reaction between silyl enol ethers and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2017","4","9","1858","","10.1039/C7QO00370F","","","1.5418","CuKα","","0.0275","0.0271","","","0.0686","0.0689","","","","","","1.061","","","","has coordinates","236054","2020-10-21","18:00:00",""
"1553815","6.82668","0.00015","9.4989","0.0002","34.5079","0.001","90","","90","","90","","2237.7","0.09","293.49","0.15","293.49","0.15","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl O7 -","- C23 H23 Cl O7 -","- C92 H92 Cl4 O28 -","4","1","","Yao, Qian; Lin, Lili; Zhang, Hang; Yu, Han; Xiong, Qian; Liu, Xiaohua; Feng, Xiaoming","The asymmetric synthesis of multisubstituted diquinanes via the domino reaction of electron-deficient enynes","Organic Chemistry Frontiers","2017","4","10","2012","","10.1039/C7QO00408G","","x-ray","1.54184","CuKα","","0.0575","0.0535","","","0.1492","0.1553","","","","","","1.044","","","","has coordinates","236060","2020-10-21","18:00:00",""
"1553838","8.0159","0.0011","15.545","0.003","21.174","0.003","90","","90","","90","","2638.4","0.7","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 N O7 S -","- C29 H25 N O7 S -","- C116 H100 N4 O28 S4 -","4","1","","Li, Shoulei; Zhang, Enge; Feng, Junjun; Li, Xin","An enantioselective conjugate addition reaction of 3-substituted benzothiophen-2-ones and 2-phthalimidoacrylates","Organic Chemistry Frontiers","2017","4","12","2301","","10.1039/C7QO00531H","","","0.71073","MoKα","","0.0315","0.0276","","","0.07","0.072","","","","","","1.014","","","","has coordinates","236081","2020-10-21","18:00:00",""
"1553843","7.973","0.0003","12.9128","0.0005","14.3781","0.0008","90","","90","","90","","1480.28","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3a","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Wu, Qiuju; Li, Chengcheng; Wang, Weihong; Wang, Hongling; Pan, Dingwu; Zheng, Pengcheng","NHC-catalyzed enantioselective synthesis of dihydropyran-4-carbonitriles bearing all-carbon quaternary centers","Organic Chemistry Frontiers","2017","4","12","2323","","10.1039/C7QO00571G","","","1.54178","CuKα","","0.0445","0.0406","","","0.106","0.1097","","","","","","1.033","","","","has coordinates","236090","2020-10-21","18:00:00",""
"1553850","9.7797","0.001","10.9021","0.0011","14.8619","0.0015","90","","90","","90","","1584.6","0.3","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O4 S -","- C18 H16 O4 S -","- C72 H64 O16 S4 -","4","1","","Zhao, Wei-Wei; Liu, Yan-Kai","Enantio- and diastereoselective synthesis of tetrahydrofuro[2,3-b]furan-2(3H)-one derivatives and related oxygen heterocycles via an asymmetric organocatalytic cascade process","Organic Chemistry Frontiers","2017","4","12","2358","","10.1039/C7QO00621G","","","0.71073","MoKα","","0.0427","0.034","","","0.086","0.0919","","","","","","1.041","","","","has coordinates","236095","2020-10-21","18:00:00",""
"1553855","5.1621","0.0006","16.3247","0.0018","20.251","0.002","90","","90","","90","","1706.5","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cl N O4 S -","- C18 H16 Cl N O4 S -","- C72 H64 Cl4 N4 O16 S4 -","4","1","","Deng, Hua; He, Fu-Sheng; Li, Cong-Shan; Yang, Wu-Lin; Deng, Wei-Ping","Enantioselective construction of tricyclic pyrrolidine-fused benzo[b]thiophene 1,1-dioxide derivatives via copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition","Organic Chemistry Frontiers","2017","4","12","2343","","10.1039/C7QO00640C","","","0.71073","MoKα","","0.0476","0.042","","","0.1066","0.1107","","","","","","1.035","","","","has coordinates","236098","2020-10-21","18:00:00",""
"1553871","14.6815","0.0001","17.2043","0.0002","23.1115","0.0002","90","","90","","90","","5837.62","0.09","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O9 -","- C31 H38 O9 -","- C248 H304 O72 -","8","2","","Luo, Jun; Huang, Wan-Sha; Hu, Sheng-Mou; Zhang, Pan-Pan; Zhou, Xu-Wei; Wang, Xiao-Bing; Yang, Ming-Hua; Luo, Jian-Guang; Wang, Chen; Liu, Chang; Yao, He-Quan; Zhang, Can; Sun, Hong-Bin; Chen, Yi-Jun; Kong, Ling-Yi","Rearranged limonoids with unique 6/5/6/5 tetracarbocyclic skeletons from Toona ciliata and biomimetic structure divergence","Organic Chemistry Frontiers","2017","4","12","2417","","10.1039/C7QO00678K","","","1.54184","CuKα","","0.0685","0.0635","","","0.1821","0.1891","","","","","","1.034","","","","has coordinates","236108","2020-10-21","18:00:00",""
"1553872","12.1518","0.0014","12.3848","0.0015","19.412","0.002","90","","90","","90","","2921.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 I N3 O5 -","- C30 H30 I N3 O5 -","- C120 H120 I4 N12 O20 -","4","1","","Zhu, Jing-Yan; Yang, Wu-Lin; Liu, Yang-Zi; Shang, Shao-Jing; Deng, Wei-Ping","A copper(i)-catalyzed asymmetric Mannich reaction of glycine Schiff bases with isatin-derived ketimines: enantioselective synthesis of 3-substituted 3-aminooxindoles","Organic Chemistry Frontiers","2018","5","1","70","","10.1039/C7QO00691H","","","0.71073","MoKα","","0.0383","0.0336","","","0.0775","0.0799","","","","","","1.038","","","","has coordinates","236109","2020-10-21","18:00:00",""
"1553873","6.1598","0.0003","8.133","0.0004","31.1006","0.0015","90","","90","","90","","1558.07","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 N O4 S -","- C13 H23 N O4 S -","- C52 H92 N4 O16 S4 -","4","1","","Wang, Zhi-Peng; Wu, Qi; Jiang, Jia; Li, Zi-Rui; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Catalytic asymmetric synthesis of pyrrolidine derivatives bearing heteroatom-substituted quaternary stereocenters","Organic Chemistry Frontiers","2018","5","1","36","","10.1039/C7QO00692F","","x-ray","0.71073","MoKα","","0.0588","0.0466","","","0.0947","0.1025","","","","","","1.058","","","","has coordinates","236111","2020-10-21","18:00:00",""
"1553874","7.9925","0.0003","13.9906","0.0004","19.0487","0.0006","90","","90","","90","","2130.02","0.12","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C84 H96 N8 O24 S4 -","4","1","","Wang, Zhi-Peng; Wu, Qi; Jiang, Jia; Li, Zi-Rui; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Catalytic asymmetric synthesis of pyrrolidine derivatives bearing heteroatom-substituted quaternary stereocenters","Organic Chemistry Frontiers","2018","5","1","36","","10.1039/C7QO00692F","","","0.71073","MoKα","","0.0451","0.0389","","","0.0939","0.098","","","","","","1.113","","","","has coordinates","236111","2020-10-21","18:00:00",""
"1553899","5.36821","0.00006","11.71337","0.00015","21.6232","0.0003","90","","90","","90","","1359.66","0.03","100","0.1","100","0.1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","(2R,4S,5R)-3-(Hydroxymethyl)-8,8-dimethyl-2-(thiophen-2-yl)-7-oxa-1-azaspiro[4.4]nonan-6-one","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","1","","Reboredo, Silvia; García-Marijuan, Ainara; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Ugarriza, Iratxe; Vicario, Jose L.","Highly diastereoselective C →N acyl rearrangement in polysubstituted pyrrolidine 2,2-dicarboxylates. Stereocontrolled synthesis of densely functionalized prolines","Organic Chemistry Frontiers","2018","5","6","933","","10.1039/C7QO00793K","","x-ray","1.54184","CuKα","","0.0263","0.0254","","","0.0615","0.062","","","","","","1.079","","","","has coordinates,has disorder","236139","2020-10-21","18:00:00",""
"1553901","6.5337","0.0001","8.4509","0.0001","26.0879","0.0003","90","","90","","90","","1440.46","0.03","289","2","289","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-((1R,5R)-1-hydroxy-3-oxo-5-phenylcyclohexyl)pyridine 1-oxide","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Xu, Youguo; Zhang, Sheng; Li, Lijun; Wang, Yukang; Zha, Zhenggen; Wang, Zhiyong","l-Phenylalanine potassium catalyzed asymmetric formal [3 + 3] annulation of 2-enoyl-pyridine N-oxides with acetone","Organic Chemistry Frontiers","2018","5","3","376","","10.1039/C7QO00796E","","","1.54184","CuKα","","0.0349","0.0324","","","0.0876","0.0987","","","","","","1.068","","","","has coordinates","236144","2020-10-21","18:00:00",""
"1553936","8.4287","0.0001","10.7538","0.0001","30.9419","0.0004","90","","90","","90","","2804.59","0.06","293","2","293","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Cl2 N3 O5 P Ru -","- C26 H28 Cl2 N3 O5 P Ru -","- C104 H112 Cl8 N12 O20 P4 Ru4 -","4","1","","de Julián, E.; Menéndez-Pedregal, E.; Claros, M.; Vaquero, M.; Díez, J.; Lastra, E.; Gamasa, P.; Pizzano, A.","Practical synthesis of enantiopure benzylamines by catalytic hydrogenation or transfer hydrogenation reactions in isopropanol using a Ru-pybox catalyst","Organic Chemistry Frontiers","2018","5","5","841","","10.1039/C7QO00908A","","","1.5418","CuKα","","0.053","0.0512","","","0.1296","0.1311","","","","","","1.069","","","","has coordinates","236180","2020-10-21","18:00:00",""
"1553949","8.0275","0.0005","13.876","0.0008","31.686","0.003","90","","90","","90","","3529.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 F3 N O3.5 -","- C19 H17 F3 N O3.5 -","- C152 H136 F24 N8 O28 -","8","2","","Huang, Bing-Bing; Wu, Liang; Liu, Ren-Rong; Xing, Ling-Ling; Liang, Ren-Xiao; Jia, Yi-Xia","Enantioselective Friedel–Crafts C2-alkylation of 3-substituted indoles with trifluoropyruvates and cyclic N-sulfonyl α-ketiminoesters","Organic Chemistry Frontiers","2018","5","6","929","","10.1039/C7QO01014A","","","0.71073","MoKα","","0.0494","0.0384","","","0.1104","0.1192","","","","","","0.853","","","","has coordinates","275434","2022-05-16","05:31:57",""
"1553963","8.0484","0.0007","10.6055","0.0009","21.9053","0.0018","90","","90","","90","","1869.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C92 H84 N4 O8 S4 -","4","1","","Li, Yun; Chen, Jingchao; He, Zhenxiu; Qin, Hongyu; Zhou, Yongyun; Khan, Ruhima; Fan, Baomin","Cobalt-catalyzed asymmetric reactions of heterobicyclic alkenes with in situ generated organozinc halides","Organic Chemistry Frontiers","2018","5","7","1108","","10.1039/C7QO01064H","","","0.71073","MoKα","","0.0286","0.0274","","","0.0727","0.0736","","","","","","1.086","","","","has coordinates","236208","2020-10-21","18:00:00",""
"1553966","9.4077","0.0015","9.9254","0.0016","17.562","0.003","90","","90","","90","","1639.9","0.5","293","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-n-Butyl-4-phenyl-3,4-dihydro-2H-benzo[e][1,2]thiazine 1,1-dioxide","","- C18 H21 N O2 S -","- C18 H21 N O2 S -","- C72 H84 N4 O8 S4 -","4","1","","Song, Bo; Chen, Mu-Wang; Zhou, Yong-Gui","Synthesis of chiral sultams with two adjacent stereocenters via palladium-catalyzed dynamic kinetic resolution","Organic Chemistry Frontiers","2018","5","7","1113","","10.1039/C7QO01098B","","","0.71073","MoKα","","0.0932","0.0553","","","0.12","0.1375","","","","","","1.014","","","","has coordinates","236214","2020-10-21","18:00:00",""
"1553974","8.799","0.0004","14.7395","0.0006","16.0279","0.0006","90","","90","","90","","2078.7","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl2 N O -","- C24 H25 Cl2 N O -","- C96 H100 Cl8 N4 O4 -","4","1","","Zheng, Long-Sheng; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Ruthenium-catalyzed dynamic kinetic asymmetric transfer hydrogenation: stereoselective access to syn 2-(1,2,3,4-tetrahydro-1-isoquinolyl)ethanol derivatives","Organic Chemistry Frontiers","2018","5","8","1366","","10.1039/C7QO01142C","","","1.54178","CuKα","","0.0259","0.0253","","","0.0677","0.0683","","","","","","1.026","","","","has coordinates","236225","2020-10-21","18:00:00",""
"1553975","5.6782","0.0002","8.5568","0.0003","38.5091","0.001","90","","90","","90","","1871.05","0.1","200","1","200","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O S -","- C22 H23 N O S -","- C88 H92 N4 O4 S4 -","4","1","","Zheng, Long-Sheng; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Ruthenium-catalyzed dynamic kinetic asymmetric transfer hydrogenation: stereoselective access to syn 2-(1,2,3,4-tetrahydro-1-isoquinolyl)ethanol derivatives","Organic Chemistry Frontiers","2018","5","8","1366","","10.1039/C7QO01142C","","","1.54178","CuKα","","0.042","0.0371","","","0.0905","0.0934","","","","","","1.047","","","","has coordinates","236225","2020-10-21","18:00:00",""
"1553977","11.9446","0.0012","13.7058","0.0014","19.238","0.002","90","","90","","90","","3149.5","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 N O6 P S -","- C34 H28 N O6 P S -","- C136 H112 N4 O24 P4 S4 -","4","1","","Gu, Zheng; Zhou, Ji; Jiang, Guo-Fang; Zhou, Yong-Gui","Synthesis of chiral γ-aminophosphonates through the organocatalytic hydrophosphonylation of azadienes with phosphites","Organic Chemistry Frontiers","2018","5","7","1148","","10.1039/C7QO01158J","","","0.71073","MoKα","","0.0462","0.0322","","","0.0789","0.0874","","","","","","1.038","","","","has coordinates","236229","2020-10-21","18:00:00",""
"1553978","7.9384","0.0009","9.9744","0.0012","17.126","0.002","90","","90","","90","","1356","0.3","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Someswarao, B.; P., Rasvan Khan; Reddy, B. Jagan Mohan; B., Sridhar; B., V. Subba Reddy","Tandem Prins-type cyclization for the stereoselective construction of fused polycyclic ring systems","Organic Chemistry Frontiers","2018","5","8","1320","","10.1039/C7QO01164D","","","0.71073","MoKα","","0.0732","0.0717","","","0.1684","0.1693","","","","","","1.246","","","","has coordinates","236231","2020-10-21","18:00:00",""
"1554009","5.8715","0.0001","9.4021","0.0002","13.3312","0.0002","90","","90","","90","","735.94","0.02","20","0.1","20","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","","Gianopoulos, Christopher G.; Zarychta, Bartosz; Cenedese, Simone; Zhurov, Vladimir V.; Pinkerton, A. Alan","Experimental and Theoretical Electron Density Determination for Two Norbornene Derivatives: Topological Analysis Provides Insights on Reactivity.","The journal of physical chemistry. A","2016","120","23","4059","4070","10.1021/acs.jpca.6b03787","","","0.71073","MoKα","","0.013","0.012","","","","0.006","0.011","","","","","1.162","","","","has coordinates","236421","2020-10-21","18:00:00",""
"1554010","5.3018","0.0001","6.9265","0.0001","18.6795","0.0005","90","","90","","90","","685.97","0.02","20","0.1","20","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","1","","Gianopoulos, Christopher G.; Zarychta, Bartosz; Cenedese, Simone; Zhurov, Vladimir V.; Pinkerton, A. Alan","Experimental and Theoretical Electron Density Determination for Two Norbornene Derivatives: Topological Analysis Provides Insights on Reactivity.","The journal of physical chemistry. A","2016","120","23","4059","4070","10.1021/acs.jpca.6b03787","","","0.71073","MoKα","","0.011","0.011","","","","0.005","0.012","","","","","1.233","","","","has coordinates","236421","2020-10-21","18:00:00",""
"1554034","6.57487","0.00008","10.21418","0.00012","15.22634","0.00017","90","","90","","90","","1022.55","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 Br2 N4 O4 S -","- C6 Br2 N4 O4 S -","- C24 Br8 N16 O16 S4 -","4","1","","Pavan, Mysore S.; Jana, Ajay Kumar; Natarajan, S.; Guru Row, Tayur N.","Halogen Bonding and Chalcogen Bonding in 4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole.","The journal of physical chemistry. B","2015","119","34","11382","11390","10.1021/acs.jpcb.5b03533","","x-ray","0.71073","MoKα","","0.062","0.0356","","","0.0553","0.06","","","","","","0.947","","","","has coordinates","236469","2020-10-21","18:00:00",""
"1554051","5.156","0.0011","8.8536","0.0017","18.337","0.003","90","","90","","90","","837.1","0.3","223","","223","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 B F4 Li O2 S -","- C4 H8 B F4 Li O2 S -","- C16 H32 B4 F16 Li4 O8 S4 -","4","1","","Dokko, Kaoru; Watanabe, Daiki; Ugata, Yosuke; Thomas, Morgan L.; Tsuzuki, Seiji; Shinoda, Wataru; Hashimoto, Kei; Ueno, Kazuhide; Umebayashi, Yasuhiro; Watanabe, Masayoshi","Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes.","The journal of physical chemistry. B","2018","122","47","10736","10745","10.1021/acs.jpcb.8b09439","","x-ray","0.71073","MoKα","","0.0529","0.0447","","","0.1128","0.1177","","","","","","0.88","","","","has coordinates","236500","2020-10-21","18:00:00",""
"1554069","5.93493","0.0001","6.94133","0.00011","20.5754","0.0006","90","","90","","90","","847.63","0.03","","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 N2 O3 -","- C6 H16 N2 O3 -","- C24 H64 N8 O12 -","4","1","","Williams, P. Andrew; Hughes, Colan E.; Martin, Jean; Courvoisier, Emilie; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M.","Understanding the Solid-State Hydration Behavior of a Common Amino Acid: Identification, Structural Characterization, and Hydration/Dehydration Processes of New Hydrate Phases of l-Lysine","The Journal of Physical Chemistry C","2016","120","17","9385","","10.1021/acs.jpcc.5b12420","powder diffraction","x-ray","1.5406","","","","","","","","","0.09509","","1.47","","","","","","","has coordinates","236526","2020-10-21","18:00:00",""
"1554087","6.0478","0.0009","12.876","0.002","16.732","0.003","90","","90","","90","","1302.9","0.4","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 S -","- C14 H14 N4 S -","- C56 H56 N16 S4 -","4","1","","Price, Jacquelyn T.; Li, Michelle S. M.; Brazeau, Allison L.; Tao, Danlei; Xiang, Guiming; Chen, Yanhua; McDonald, Robert; Jones, Nathan D.; Ding, Zhifeng","Structural Insight into Electrogenerated Chemiluminescence of Para-Substituted Aryl‒Triazole‒Thienyl Compounds","The Journal of Physical Chemistry C","2016","120","38","21778","","10.1021/acs.jpcc.6b06904","","","0.71073","MoKα","","0.0684","0.0439","","","0.0813","0.0889","","","","","","1.034","","","","has coordinates","236551","2020-10-21","18:00:00",""
"1554093","9.65062","0.00013","11.62065","0.00013","19.4417","0.0002","90","","90","","90","","2180.32","0.04","291.25","0.1","291.25","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","x-ray","1.54184","CuKα","","0.0279","0.0258","","","0.065","0.0668","","","","","","1.016","","","","has coordinates","236560","2020-10-21","18:00:00",""
"1554094","9.754","0.002","11.691","0.002","19.628","0.004","90","","90","","90","","2238.3","0.8","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O4 -","- C26 H24 N2 O4 -","- C104 H96 N8 O16 -","4","1","","Zhu, Qiuhua; Dai, Chenshu; Huang, Cuihong; Zheng, Sichao; Tian, Yuanxin","Racemates Have Much Higher Solid-State Fluorescence Efficiency than Their Levo- and Dextrorotary Enantiomers","The Journal of Physical Chemistry C","2017","121","45","25503","","10.1021/acs.jpcc.7b09170","","","0.71073","MoKα","","0.0544","0.0391","","","0.0796","0.0855","","","","","","0.772","","","","has coordinates","236561","2020-10-21","18:00:00",""
"1554120","12.9552","0.0004","12.9939","0.0004","20.0294","0.0007","90","","90","","90","","3371.72","0.19","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,6-Bis(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-9,9-dimethyl-9H-thioxanthene 10,10-dioxide","","- C43 H36 N2 O2 S -","- C43 H36 N2 O2 S -","- C172 H144 N8 O8 S4 -","4","1","","Kukhta, Nadzeya A.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Importance of Chromophore Rigidity on the Efficiency of Blue Thermally Activated Delayed Fluorescence Emitters","The Journal of Physical Chemistry C","2018","122","50","28564","","10.1021/acs.jpcc.8b10867","","x-ray","0.71073","MoKα","","0.0352","0.0296","","","0.0692","0.0712","","","","","","1.046","","","","has coordinates,has disorder","236597","2020-10-21","18:00:00",""
"1554138","8.6999","0.0005","12.2951","0.0006","14.5055","0.0009","90","","90","","90","","1551.6","0.15","223","","223","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","C6H8LiNO6F6S3","","- C6 H8 F6 Li N O6 S3 -","- C6 H8 F6 Li N O6 S3 -","- C24 H32 F24 Li4 N4 O24 S12 -","4","1","","Nakanishi, Azusa; Ueno, Kazuhide; Watanabe, Daiki; Ugata, Yosuke; Matsumae, Yoshiharu; Liu, Jiali; Thomas, Morgan L.; Dokko, Kaoru; Watanabe, Masayoshi","Sulfolane-Based Highly Concentrated Electrolytes of Lithium Bis(trifluoromethanesulfonyl)amide: Ionic Transport, Li-Ion Coordination, and Li‒S Battery Performance","The Journal of Physical Chemistry C","2019","123","23","14229","","10.1021/acs.jpcc.9b02625","","x-ray","0.71073","MoKα","","0.0552","0.0472","","","0.1263","0.1332","","","","","","1.04","","","","has coordinates","236628","2020-10-21","18:00:00",""
"1554214","7.1719","0.0004","10.8284","0.0005","29.7864","0.0015","90","","90","","90","","2313.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(benzo[ghi]perylene)TCNQ","","","- C34 H16 N4 -","- C34 H16 N4 -","- C136 H64 N16 -","4","1","","Yoshida, Yukihiro; Tango, Shunsuke; Isomura, Kazuhide; Nakamura, Yuto; Kishida, Hideo; Koretsune, Takashi; Sakata, Masafumi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Charge-transfer complexes based on C2v-symmetric benzo[ghi]perylene: comparison of their dynamic and electronic properties with those of D6h-symmetric coronene","Materials Chemistry Frontiers","2018","2","6","1165","","10.1039/C8QM00112J","","","0.71073","MoKα","","0.0522","0.0386","","","0.076","0.0799","","","","","","1.03","","","","has coordinates","237027","2020-10-21","18:00:00",""
"1554229","9.8155","0.0002","15.6764","0.0002","22.6588","0.0002","90","","90","","90","","3486.55","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H16 I4 -","- C26 H16 I4 -","- C104 H64 I16 -","4","1","","Xiong, Jianbo; Li, Xinyue; Yuan, Chunqing; Semin, Sergey; Yao, Zhaoquan; Xu, Jialiang; Rasing, Theo; Bu, Xian-He","Wavelength dependent nonlinear optical response of tetraphenylethene aggregation-induced emission luminogens","Materials Chemistry Frontiers","2018","2","12","2263","","10.1039/C8QM00375K","","","1.54184","CuKα","","0.0623","0.0585","","","0.1867","0.1914","","","","","","1.077","","","","has coordinates","237041","2020-10-21","18:00:00",""
"1554230","9.6034","0.0002","15.4711","0.0002","22.0743","0.0003","90","","90","","90","","3279.69","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H16 Br4 -","- C26 H16 Br4 -","- C104 H64 Br16 -","4","1","","Xiong, Jianbo; Li, Xinyue; Yuan, Chunqing; Semin, Sergey; Yao, Zhaoquan; Xu, Jialiang; Rasing, Theo; Bu, Xian-He","Wavelength dependent nonlinear optical response of tetraphenylethene aggregation-induced emission luminogens","Materials Chemistry Frontiers","2018","2","12","2263","","10.1039/C8QM00375K","","","1.54184","CuKα","","0.0355","0.0327","","","0.0917","0.0937","","","","","","1.134","","","","has coordinates","237041","2020-10-21","18:00:00",""
"1554237","5.988","0.003","7.36","0.004","45.02","0.02","90","","90","","90","","1984.1","1.7","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 S -","- C25 H20 S -","- C100 H80 S4 -","4","1","","Wang, Can; Yu, Yun; Chai, Zhaofei; He, Fangdi; Wu, Chaozheng; Gong, Yanbin; Han, Mengmeng; Li, Qianqian; Li, Zhen","Recyclable mechanoluminescent luminogen: different polymorphs, different self-assembly effects of the thiophene moiety and recovered molecular packing via simple thermal-treatment","Materials Chemistry Frontiers","2019","3","1","32","","10.1039/C8QM00411K","","","0.71073","MoKα","","0.0781","0.0663","","","0.1553","0.1613","","","","","","1.097","","","","has coordinates,has disorder","237047","2020-10-21","18:00:00",""
"1554253","8.8119","0.0001","10.4134","0.0001","27.1396","0.0003","90","","90","","90","","2490.38","0.05","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br F3 N3 O4 S -","- C25 H21 Br F3 N3 O4 S -","- C100 H84 Br4 F12 N12 O16 S4 -","4","1","","Zhu, Wen-Run; Chen, Qing; Lin, Ning; Chen, Kai-Bin; Zhang, Zhen-Wei; Fang, Gang; Weng, Jiang; Lu, Gui","Organocatalytic Michael/cyclization cascade reactions of 3-isothiocyanato oxindoles with 3-trifluoroethylidene oxindoles: an approach for the synthesis of 3′-trifluoromethyl substituted 3,2′-pyrrolidinyl-bispirooxindoles","Organic Chemistry Frontiers","2018","5","8","1375","","10.1039/C8QO00044A","","","1.54178","CuKα","","0.0329","0.0312","","","0.0763","0.0774","","","","","","1.031","","","","has coordinates","237067","2020-10-21","18:00:00",""
"1554255","8.3949","0.0009","15.0525","0.0016","22.267","0.002","90","","90","","90","","2813.8","0.5","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","15-13","","- C28 H38 O9 -","- C28 H38 O9 -","- C112 H152 O36 -","4","1","","Yin, Guo-Ping; Wu, Ya-Rong; Han, Chao; Wang, Xiao-Bing; Gao, Hong-Liang; Yin, Yong; Kong, Ling-Yi; Yang, Ming-Hua","Asperones A‒E, five dimeric polyketides with new carbon skeletons from the fungus Aspergillus sp. AWG 1‒15","Organic Chemistry Frontiers","2018","5","16","2432","","10.1039/C8QO00070K","","","1.54178","CuKα","","0.0338","0.0326","","","0.0864","0.0873","","","","","","1.052","","","","has coordinates","237068","2020-10-21","18:00:00",""
"1554256","9.34542","0.00007","14.58845","0.00013","24.65138","0.00016","90","","90","","90","","3360.85","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Lithocarpin C","W-55","","- C37 H42 O11 -","- C37 H42 O11 -","- C148 H168 O44 -","4","1","","Xu, Jianlin; Tan, Haibo; Chen, Yuchan; Li, Saini; Huang, Zilei; Guo, Heng; Li, Haohua; Gao, Xiaoxia; Liu, Hongxin; Zhang, Weimin","Lithocarpins A‒D: four tenellone-macrolide conjugated [4 + 2] hetero-adducts from the deep-sea derived fungus Phomopsis lithocarpus FS508","Organic Chemistry Frontiers","2018","5","11","1792","","10.1039/C8QO00095F","","x-ray","1.54184","CuKα","","0.0349","0.034","","","0.0889","0.0897","","","","","","1.047","","","","has coordinates","237071","2020-10-21","18:00:00",""
"1554271","9.18292","0.00014","12.4621","0.0002","28.4369","0.0005","90","","90","","90","","3254.28","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O12 -","- C35 H44 O12 -","- C140 H176 O48 -","4","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","x-ray","1.54184","CuKα","","0.0272","0.0268","","","0.0674","0.0677","","","","","","1.076","","","","has coordinates","237081","2020-10-21","18:00:00",""
"1554272","15.8696","0.0006","16.1185","0.0005","32.0556","0.0007","90","","90","","90","","8199.6","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C74 H90 Cl12 O24 -","- C74 H90 Cl12 O24 -","- C296 H360 Cl48 O96 -","4","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","1.54178","CuKα","","0.0957","0.0812","","","0.1738","0.1837","","","","","","1.003","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554274","15.2487","0.0011","16.1229","0.0011","29.1352","0.0019","90","","90","","90","","7163","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C74 H91 N2 O24 -","- C74 H91 N2 O24 -","- C296 H364 N8 O96 -","4","1","","Li, Wan-Shan; Yang, Yang; Liu, Jun-Jun; Shen, Li; Shi, Zhi; Wu, Jun","Scaffold diversity-oriented synthesis of limonoid dimers: discovery of an axially chiral agent within vivoanti-breast cancer activity","Organic Chemistry Frontiers","2018","5","7","1079","","10.1039/C8QO00154E","","","0.71073","MoKα","","0.0842","0.0548","","","0.1445","0.1638","","","","","","1.026","","","","has coordinates,has disorder","237081","2020-10-21","18:00:00",""
"1554298","10.4066","0.0014","26.417","0.004","12.0692","0.0014","90","","90","","90","","3318","0.8","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","ZHY7009","","- C26 H39 Cl2 Co N3 O12 -","- C26 H39 Cl2 Co N3 O12 -","- C104 H156 Cl8 Co4 N12 O48 -","4","1","","Zhang, Heyi; Lu, Zhan","Nickel-catalyzed enantioselective sequential Nazarov cyclization/decarboxylation","Organic Chemistry Frontiers","2018","5","11","1763","","10.1039/C8QO00279G","","","0.71073","MoKα","","0.1363","0.0755","","","0.1596","0.1969","","","","","","1.003","","","","has coordinates","237107","2020-10-21","18:00:00",""
"1554299","10.3907","0.0009","11.9429","0.0011","26.537","0.003","90","","90","","90","","3293.1","0.6","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","ZHY7163","","- C26 H39 Cl2 N3 Ni O12 -","- C26 H39 Cl2 N3 Ni O12 -","- C104 H156 Cl8 N12 Ni4 O48 -","4","1","","Zhang, Heyi; Lu, Zhan","Nickel-catalyzed enantioselective sequential Nazarov cyclization/decarboxylation","Organic Chemistry Frontiers","2018","5","11","1763","","10.1039/C8QO00279G","","","0.71073","MoKα","","0.128","0.0735","","","0.1546","0.1907","","","","","","1.011","","","","has coordinates","237107","2020-10-21","18:00:00",""
"1554301","10.3081","0.0003","11.98","0.0002","26.1548","0.0005","90","","90","","90","","3229.88","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","zhy8105","","- C26 H41 Cl2 Fe N3 O12 -","- C26 H41 Cl2 Fe N3 O12 -","- C104 H164 Cl8 Fe4 N12 O48 -","4","1","","Zhang, Heyi; Lu, Zhan","Nickel-catalyzed enantioselective sequential Nazarov cyclization/decarboxylation","Organic Chemistry Frontiers","2018","5","11","1763","","10.1039/C8QO00279G","","x-ray","1.54184","CuKα","","0.0535","0.0491","","","0.1266","0.1292","","","","","","1.066","","","","has coordinates","237107","2020-10-21","18:00:00",""
"1554316","10.1535","0.0002","10.5316","0.0002","25.565","0.0006","90","","90","","90","","2733.73","0.1","297.6","0.8","297.6","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 N O5 -","- C32 H31 N O5 -","- C128 H124 N4 O20 -","4","1","","Duan, Chuan-Qi; He, Xiao-Long; Du, Wei; Chen, Ying-Chun","Asymmetric [4 + 2] cycloadditions with 3-furfural derivatives and α-cyano-α,β-unsaturated ketones","Organic Chemistry Frontiers","2018","5","13","2057","","10.1039/C8QO00351C","","x-ray","1.54184","CuKα","","0.0447","0.0432","","","0.1184","0.1208","","","","","","1.0435","","","","has coordinates","237124","2020-10-21","18:00:00",""
"1554320","9.00774","0.00012","11.44511","0.00014","29.0288","0.0003","90","","90","","90","","2992.71","0.06","293.8","0.5","293.8","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((1R,2R,3R,3aS)-1'-benzyl-2'-oxo-1,2-dihydro-3aH-spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indoline]-1,2-diyl)bis(phenylmethanone)","","- C38 H28 N2 O3 S -","- C38 H28 N2 O3 S -","- C152 H112 N8 O12 S4 -","4","1","","Zhang, Xiying; Liu, Xiaohua; Zhang, Jianlin; Zhang, Dong; Lin, Lili; Feng, Xiaoming","Enantioselective [3 + 2] cycloaddition and rearrangement of thiazolium salts to synthesize thiazole and 1,4-thiazine derivatives","Organic Chemistry Frontiers","2018","5","13","2126","","10.1039/C8QO00370J","","x-ray","1.54184","CuKα","","0.0518","0.0487","","","0.1321","0.1365","","","","","","1.037","","","","has coordinates","237128","2020-10-21","18:00:00",""
"1554334","9.5467","0.0009","13.5703","0.0018","26.06","0.002","90","","90","","90","","3376.1","0.6","294.24","0.1","294.24","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Cl0.07 Fe N O -","- C9.06667 H9.06667 Cl0.8 Fe0.266667 N0.8 O1.06667 -","- C136 H136 Cl12 Fe4 N12 O16 -","15","3.75","","Zhang, Yuehua; Wang, Chunting; Huang, Wei; Haruehanroengra, Phensinee; Peng, Cheng; Sheng, Jia; Han, Bo; He, Gu","Application of organocatalysis in bioorganometallic chemistry: asymmetric synthesis of multifunctionalized spirocyclic pyrazolone‒ferrocene hybrids as novel RalA inhibitors","Organic Chemistry Frontiers","2018","5","14","2229","","10.1039/C8QO00422F","","x-ray","1.54184","CuKα","","0.079","0.0679","","","0.1643","0.1774","","","","","","1.082","","","","has coordinates","237136","2020-10-21","18:00:00",""
"1554340","7.508","0.0002","11.2397","0.0003","21.9828","0.0015","90","","90","","90","","1855.08","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6aS,9R,10R,10aS)-10-chloro-9-hydroxy-6,6,9,12-tetramethyl-6,6a,7,8,9,10,10a,12-octahydro-11H-isochromeno[4,3-c]quinolin-11-one)","","- C20 H24 Cl N O3 -","- C20 H24 Cl N O3 -","- C80 H96 Cl4 N4 O12 -","4","1","","Olivon, F.; Apel, C.; Retailleau, P.; Allard, P. M.; Wolfender, J. L.; Touboul, D.; Roussi, F.; Litaudon, M.; Desrat, S.","Searching for original natural products by molecular networking: detection, isolation and total synthesis of chloroaustralasines","Organic Chemistry Frontiers","2018","5","14","2171","","10.1039/C8QO00429C","","","1.54187","CuKα","","0.1108","0.0543","","","0.0941","0.141","","","","","","1.14","","","","has coordinates","237138","2020-10-21","18:00:00",""
"1554355","6.6084","0.0001","11.8396","0.0002","22.9114","0.0004","90","","90","","90","","1792.61","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Hu, Zheng-Xi; Xu, Hou-Chao; Hu, Kun; Liu, Miao; Li, Xiao-Nian; Li, Xing-Ren; Du, Xue; Zhang, Yong-Hui; Puno, Pema-Tenzin; Sun, Han-Dong","Structurally diverse diterpenoids from Isodon pharicus","Organic Chemistry Frontiers","2018","5","15","2379","","10.1039/C8QO00477C","","","1.54178","CuKα","","0.0305","0.0305","","","0.0772","0.0772","","","","","","1.131","","","","has coordinates","237151","2020-10-21","18:00:00",""
"1554380","8.611","0.0012","11.3415","0.0015","28.819","0.004","90","","90","","90","","2814.5","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 Cl N3 O7 -","- C29 H28 Cl N3 O7 -","- C116 H112 Cl4 N12 O28 -","4","1","","Wei, Qinghua; Ma, Xiaochu; Chen, Jianghui; Niu, Li; Yang, Xi; Xia, Fei; Liu, Shunying","A triple-functionalised metal centre-catalyzed enantioselective multicomponent reaction","Organic Chemistry Frontiers","2018","5","19","2799","","10.1039/C8QO00703A","","","0.71073","MoKα","","0.1382","0.0564","","","0.1135","0.1486","","","","","","1.002","","","","has coordinates","237178","2020-10-21","18:00:00",""
"1554423","6.229","0.0001","13.6065","0.0002","14.6177","0.0003","90","","90","","90","","1238.92","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H0.25 N O -","- C17 H11 N O -","- C68 H44 N4 O4 -","4","1","","Xu, Xin-Ming; Lei, Chuan-Hu; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Lewis acid catalyst-steered divergent synthesis of functionalized vicinal amino alcohols and pyrroles from tertiary enamides","Organic Chemistry Frontiers","2018","5","21","3138","","10.1039/C8QO00839F","","","1.54184","CuKα","","0.0369","0.0343","","","0.0834","0.0862","","","","","","1.11","","","","has coordinates","237224","2020-10-21","18:00:00",""
"1554436","8.8385","0.0005","14.3341","0.0009","17.8495","0.0011","90","","90","","90","","2261.4","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br N O7 P S -","- C21 H21 Br N O7 P S -","- C84 H84 Br4 N4 O28 P4 S4 -","4","1","","Sun, Jun; Mou, Chengli; Liu, Changyi; Huang, Ruoyan; Zhang, Shupeng; Zheng, Pengcheng; Chi, Yonggui Robin","Enantioselective access to multi-cyclic α-amino phosphonates via carbene-catalyzed cycloaddition reactions between enals and six-membered cyclic imines","Organic Chemistry Frontiers","2018","5","20","2992","","10.1039/C8QO00877A","","","0.71073","MoKα","","0.0765","0.0451","","","0.0859","0.0981","","","","","","0.948","","","","has coordinates","237236","2020-10-21","18:00:00",""
"1554456","4.6005","0.0004","10.122","0.0008","16.4334","0.0014","90","","90","","90","","765.24","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-hydroxyphenyl phosphoric acid","","- C6 H7 O5 P -","- C6 H7 O5 P -","- C24 H28 O20 P4 -","4","1","","Khasiyatullina, Nadezhda R.; Baronova, Tamara A.; Mironova, Ekaterina V.; Fayzullin, Robert R.; Litvinov, Igor A.; Efimov, Sergey V.; Musin, Rashid Z.; Klochkov, Vladimir V.; Mironov, Vladimir F.","Tandem dihetero-Diels‒Alder and Huisgen cycloaddition reactions. Synthesis, crystal structure and hydrolysis of the novel cage phosphoranes","Organic Chemistry Frontiers","2018","5","21","3113","","10.1039/C8QO00915E","","x-ray","0.71073","MoKα","","0.044","0.0387","","","0.0831","0.0859","","","","","","1.045","","","","has coordinates","237249","2020-10-21","18:00:00",""
"1554484","4.9693","0.0003","5.8579","0.0003","31.3863","0.0017","90","","90","","90","","913.64","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 F O2 -","- C11 H9 F O2 -","- C44 H36 F4 O8 -","4","1","","Han, Sang Hoon; Pandey, Ashok Kumar; Lee, Heeyoung; Kim, Saegun; Kang, Dahye; Jung, Young Hoon; Kim, Hyung Sik; Hong, Sungwoo; Kim, In Su","One-pot synthesis of 2-naphthols from nitrones and MBH adducts via decarboxylative N‒O bond cleavage","Organic Chemistry Frontiers","2018","5","22","3210","","10.1039/C8QO00988K","","","0.71073","MoKα","","0.069","0.0506","","","0.0992","0.106","","","","","","1.064","","","","has coordinates","237270","2020-10-21","18:00:00",""
"1554485","6.1036","0.0004","12.5506","0.0007","21.976","0.0013","90","","90","","90","","1683.45","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Yang, Qian; Hu, Kun; Yan, Bing-Chao; Liu, Miao; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","Maoeriocalysins A‒D, four novel ent-kaurane diterpenoids from Isodon eriocalyx and their structure determination utilizing quantum chemical calculation in conjunction with quantitative interproton distance analysis","Organic Chemistry Frontiers","2019","6","1","45","","10.1039/C8QO01007B","","","1.54178","CuKα","","0.0356","0.0353","","","0.0939","0.0942","","","","","","1.072","","","","has coordinates","237272","2020-10-21","18:00:00",""
"1554513","10.687","0.008","12.035","0.009","14.902","0.011","90","","90","","90","","1917","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br O3 -","- C21 H19 Br O3 -","- C84 H76 Br4 O12 -","4","1","","Huang, Huicai; Lu, Xue; Mao, Yukang; Ye, Jinxing","Asymmetric synthesis of highly functionalized furanones via direct Michael reactions mediated by a bulky primary amine","Organic Chemistry Frontiers","2019","6","8","1080","","10.1039/C8QO01132J","","","0.71073","MoKα","","0.0873","0.0517","","","0.1255","0.1398","","","","","","1.008","","","","has coordinates","237301","2020-10-21","18:00:00",""
"1554514","10.4344","0.0002","11.4942","0.0002","11.5277","0.0002","90","","90","","90","","1382.58","0.04","288.3","0.1","288.3","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Xu, Weici; Li, Yuanzhen; Liu, Rui; Yang, Shuang; Liu, Jian; Fang, Xinqiang","Kinetic resolution of 2,2-disubstituted-1,3-diketones via carbene catalysis","Organic Chemistry Frontiers","2019","6","3","290","","10.1039/C8QO01137K","","","1.54184","CuKα","","0.0333","0.0312","","","0.0783","0.0804","","","","","","1.062","","","","has coordinates","237302","2020-10-21","18:00:00",""
"1554520","11.8106","0.0004","12.5767","0.0004","26.9924","0.001","90","","90","","90","","4009.4","0.2","100","0.3","100","0.3","","","","","","","Marine Sponge-Derived Fungus Aspergillus versicolor SCSIO 41016","4","P 21 21 21","P 2ac 2ab","19","(1R,4R)-4-benzyl-1-((S)-sec-butyl)-1-methoxy-1,2-dihydro-6H-pyrazino[2,1-b]quinazoline-3,6(4H)-dione","Brevianamide Y","","- C23 H25 N3 O3 -","- C23 H25 N3 O3 -","- C184 H200 N24 O24 -","8","2","","Luo, Xiaowei; Chen, Chunmei; Tao, Huaming; Lin, Xiuping; Yang, Bin; Zhou, Xuefeng; Liu, Yonghong","Structurally diverse diketopiperazine alkaloids from the marine-derived fungus Aspergillus versicolor SCSIO 41016","Organic Chemistry Frontiers","2019","6","6","736","","10.1039/C8QO01147H","","x-ray","1.54184","CuKα","","0.063","0.0501","","","0.1333","0.1414","","","","","","1.029","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1554527","6.1903","0.0012","13.744","0.003","32.103","0.006","90","","90","","90","","2731.3","0.9","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 Br0 Cl N O4 -","- C32 H34 Cl N O4 -","- C128 H136 Cl4 N4 O16 -","4","1","","Ma, Qiaoning; Yang, Xiaodi; Lei, Xinsheng; Lin, Guo-Qiang","A highly enantioselective synthetic method towards the α2c-adrenoceptor antagonist ORM-10921","Organic Chemistry Frontiers","2019","6","6","773","","10.1039/C8QO01166D","","","1.54178","CuKα","","0.0353","0.034","","","0.0874","0.0887","","","","","","1.062","","","","has coordinates","237312","2020-10-21","18:00:00",""
"1554535","11.0158","0.0017","12.13","0.0016","23.587","0.003","90","","90","","90","","3151.7","0.8","295.19","0.1","295.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 Cl N O9 -","- C33 H32 Cl N O9 -","- C132 H128 Cl4 N4 O36 -","4","1","","Cao, Jian; Liu, Jin-Yu; Zhang, Yi-Ming; Wang, Zhu-Yin; Xu, Peng-Fei","Synergistic promotion by intramolecular hydrogen bonding: a bi-functionally catalyzed cascade reaction for the synthesis of enantiopure chromenopyrrolidines","Organic Chemistry Frontiers","2019","6","5","674","","10.1039/C8QO01208C","","","0.71073","MoKα","","0.1754","0.0917","","","0.2117","0.2924","","","","","","0.989","","","","has coordinates","237317","2020-10-21","18:00:00",""
"1554548","9.5976","0.0009","10.3316","0.0009","13.9249","0.0013","90","","90","","90","","1380.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Liu, Xiong-Li; Yue, Jing; Chen, Shuang; Liu, Huan-Huan; Yang, Kai-Mo; Feng, Ting-Ting; Zhou, Ying","Thermal-mediated catalyst-free heterolytic cleavage of 3-halooxindoles: rapid access to 3-functionalized-2-oxindoles","Organic Chemistry Frontiers","2019","6","2","256","","10.1039/C8QO01222A","","","0.71073","MoKα","","0.0261","0.0251","","","0.0706","0.0713","","","","","","1.064","","","","has coordinates","237329","2020-10-21","18:00:00",""
"1554566","11.043","0.003","14.753","0.005","17.258","0.005","90","","90","","90","","2811.6","1.5","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 N O4 S -","- C33 H29 N O4 S -","- C132 H116 N4 O16 S4 -","4","1","","Chen, Kun-Quan; Gao, Zhong-Hua; Ye, Song","Bifunctional N-heterocyclic carbene catalyzed [3 + 4] annulation of enals with azadienes: enantioselective synthesis of benzofuroazepinones","Organic Chemistry Frontiers","2019","6","3","405","","10.1039/C8QO01302K","","","0.71073","MoKα","","0.0804","0.0755","","","0.1196","0.1217","","","","","","1.27","","","","has coordinates","237350","2020-10-21","18:00:00",""
"1554578","9.1297","0.0008","10.326","0.0009","24.127","0.0018","90","","90","","90","","2274.5","0.3","123.2","0.2","123.2","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C116 H96 N8 O8 -","4","1","","Xu, Lubin; Chen, Haohua; Liu, Jian; Zhou, Lan; Liu, Qing; Lan, Yu; Xiao, Jian","Chiral phosphoric acid-catalyzed asymmetric C(sp3)‒H functionalization of biomass-derived 2,5-dimethylfuran via two sequential Cope-type rearrangements","Organic Chemistry Frontiers","2019","6","8","1162","","10.1039/C8QO01375F","","","1.54184","CuKα","","0.0767","0.0574","","","0.1248","0.1388","","","","","","1.04","","","","has coordinates","237368","2020-10-21","18:00:00",""
"1554579","32.1461","0.0004","11.483","0.0001","8.0162","0.0001","90","","90","","90","","2959.05","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9.23 H13.23 O3.69 -","- C9.53846 H12.9231 O3.38462 -","- C124 H168 O44 -","13","3.25","","Zhang, Jia; He, Jun; Cheng, Yung-Chi; Zhang, Pei-Cheng; Yan, Yu; Zhang, Hao-Jun; Zhang, Wei-Ku; Xu, Jie-Kun","Fischernolides A‒D, four novel diterpene-based meroterpenoid scaffolds with antitumor activities from Euphorbia fischeriana","Organic Chemistry Frontiers","2019","6","14","2312","","10.1039/C8QO01379A","","","1.54184","CuKα","","0.0384","0.0379","","","0.1","0.1004","","","","","","1.1","","","","has coordinates","237370","2020-10-21","18:00:00",""
"1554580","11.351","0.002","11.9996","0.0017","21.215","0.003","90","","90","","90","","2889.6","0.8","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H26 Cl N5 O -","- C35 H26 Cl N5 O -","- C140 H104 Cl4 N20 O4 -","4","1","","Sun, Bing-Bing; Zhang, Jun-Qi; Chen, Jun-Bo; Fan, Wei-Tai; Yu, Jie-Qiang; Hu, Jia-Ming; Wang, Xing-Wang","Stereoselective synthesis of spirocyclohexadiene-pyrazolones via organic base and/or hydrogen bonding assisted [3 + 3] annulation reactions","Organic Chemistry Frontiers","2019","6","11","1842","","10.1039/C8QO01391H","","","0.71073","MoKα","","0.0864","0.064","","","0.1786","0.192","","","","","","1.078","","","","has coordinates","237372","2020-10-21","18:00:00",""
"1554582","7.9193","0.0001","15.3744","0.0002","16.4929","0.0002","90","","90","","90","","2008.08","0.04","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 F3 N O4 S -","- C16 H14 F3 N O4 S -","- C64 H56 F12 N4 O16 S4 -","4","1","","Gui, Yang; Liang, Xinping; Li, Yanan; Li, Kuiliang; Zha, Zhenggen; Wang, Zhiyong","Asymmetric synthesis of fluoroalkylated N,O-ketals via an organocatalytic dehydration/aminalization/aza-Michael desymmetrization","Organic Chemistry Frontiers","2019","6","7","942","","10.1039/C8QO01397G","","","1.54184","CuKα","","0.0407","0.0401","","","0.1113","0.1125","","","","","","1.046","","","","has coordinates","237374","2020-10-21","18:00:00",""
"1554583","28.168","0.003","11.3424","0.0013","10.2126","0.0012","90","","90","","90","","3262.9","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Br N O4 P2 -","- C36 H32 Br N O4 P2 -","- C144 H128 Br4 N4 O16 P8 -","4","1","","Liu, Bing; Li, Wenbo; Wu, Hai-Hong; Zhang, Junliang","Enantiodivergent synthesis of 1,2-bis(diphenylphosphino)ethanes via asymmetric [3 + 2]-cycloaddition","Organic Chemistry Frontiers","2019","6","5","694","","10.1039/C8QO01404C","","","0.71073","MoKα","","0.0996","0.0581","","","0.1202","0.1385","","","","","","1.011","","","","has coordinates","237376","2020-10-21","18:00:00",""
"1554593","7.4082","0.0014","7.9771","0.0015","43.956","0.008","90","","90","","90","","2597.6","0.8","173.15","","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 O6.5 -","- C15 H13 O6.5 -","- C120 H104 O52 -","8","2","","Szwalbe, Agnieszka J.; Williams, Katherine; Song, Zhongshu; de Mattos-Shipley, Kate; Vincent, Jason L.; Bailey, Andrew M.; Willis, Christine L.; Cox, Russell J.; Simpson, Thomas J.","Characterisation of the biosynthetic pathway to agnestins A and B reveals the reductive route to chrysophanol in fungi.","Chemical science","2019","10","1","233","238","10.1039/c8sc03778g","","","1.54178","CuKα","","0.0288","0.0287","","","0.0773","0.0775","","","","","","1.069","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1554602","13.6821","0.0002","21.8875","0.0003","24.244","0.0003","90","","90","","90","","7260.28","0.17","170","2","170.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H77 N15 O2 Rb U -","- C77 H77 N15 O2 Rb U -","- C308 H308 N60 O8 Rb4 U4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","x-ray","0.71073","MoKα","","0.0281","0.0247","","","0.0527","0.0538","","","","","","1.051","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554603","13.273","0.0001","16.4368","0.0001","27.8646","0.0002","90","","90","","90","","6079.1","0.07","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H62 I N12 O2 U Zn -","- C62 H62 I N12 O2 U Zn -","- C248 H248 I4 N48 O8 U4 Zn4 -","4","1","","Zegke, Markus; Zhang, Xiaobin; Pidchenko, Ivan; Hlina, Johann A.; Lord, Rianne M.; Purkis, Jamie; Nichol, Gary S.; Magnani, Nicola; Schreckenbach, Georg; Vitova, Tonya; Love, Jason B.; Arnold, Polly L.","Differential uranyl(v) oxo-group bonding between the uranium and metal cations from groups 1, 2, 4, and 12; a high energy resolution X-ray absorption, computational, and synthetic study","Chemical Science","2019","10","42","9740","","10.1039/C8SC05717F","","","1.54184","CuKα","","0.0216","0.0202","","","0.0468","0.0473","","","","","","0.9","","","","has coordinates","237415","2020-10-21","18:00:00",""
"1554637","11.0565","0.0005","16.7748","0.0006","20.3659","0.0009","90","","90","","90","","3777.3","0.3","294","0.2","294","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 Cl2 N4 O2 Pt2 -","- C43 H38 Cl2 N4 O2 Pt2 -","- C172 H152 Cl8 N16 O8 Pt8 -","4","1","","Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng","Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands","Materials Chemistry Frontiers","2019","3","6","1199","","10.1039/C9QM00105K","","x-ray","0.71073","MoKα","","0.041","0.0362","","","0.0807","0.084","","","","","","1.083","","","","has coordinates","238016","2020-10-21","18:00:00",""
"1554639","10.7354","0.0004","20.1891","0.0008","21.7815","0.0006","90","","90","","90","","4720.9","0.3","143","0.1","143","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H35 Cl3 N4 O2 Pt2 -","- C51 H35 Cl3 N4 O2 Pt2 -","- C204 H140 Cl12 N16 O8 Pt8 -","4","1","","Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng","Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands","Materials Chemistry Frontiers","2019","3","6","1199","","10.1039/C9QM00105K","","x-ray","0.71073","MoKα","","0.0626","0.0493","","","0.118","0.1263","","","","","","1.049","","","","has coordinates","238016","2020-10-21","18:00:00",""
"1554640","11.05822","0.00019","16.7782","0.0004","20.3868","0.0004","90","","90","","90","","3782.51","0.13","294.28","0.16","294.28","0.16","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 Cl2 N4 O2 Pt2 -","- C43 H38 Cl2 N4 O2 Pt2 -","- C172 H152 Cl8 N16 O8 Pt8 -","4","1","","Qu, Lang; Li, Chunbo; Shen, Guangyu; Gou, Fei; Song, Jintong; Wang, Man; Xu, Xuemei; Zhou, Xiangge; Xiang, Haifeng","Syntheses, crystal structures, chirality and aggregation-induced phosphorescence of stacked binuclear platinum(ii) complexes with bridging Salen ligands","Materials Chemistry Frontiers","2019","3","6","1199","","10.1039/C9QM00105K","","x-ray","0.71073","MoKα","","0.047","0.0396","","","0.0955","0.1009","","","","","","1.042","","","","has coordinates","238016","2020-10-21","18:00:00",""
"1554680","7.7277","0.0015","13.36","0.003","20.072","0.004","90","","90","","90","","2072.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 N4 O Pt -","- C27 H18 N4 O Pt -","- C108 H72 N16 O4 Pt4 -","4","1","","Ma, Huili; Shen, Kang; Wu, Yipei; Xia, Fang; Yu, Feiling; Sun, Zhengyi; Qian, Chunyue; Peng, Qiming; Zhang, Hong-Hai; You, Cong; Xie, Guohua; Hang, Xiao-Chun; Huang, Wei","High-color-purity and efficient solution-processable blue phosphorescent light-emitting diodes with Pt(ii) complexes featuring 3ππ* transitions","Materials Chemistry Frontiers","2019","3","11","2448","","10.1039/C9QM00347A","","","0.71073","MoKα","","0.0534","0.0427","","","0.0532","0.0566","","","","","","0.98","","","","has coordinates","238039","2020-10-21","18:00:00",""
"1554696","9.0064","0.0003","9.7885","0.0003","30.9078","0.0011","90","","90","","90","","2724.81","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-4-benzyl-4-((S)-(4-chlorophenyl)(2-hydroxy-3-methoxyphenyl)methyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","(R)-4-benzyl-4-((S)-(4-chlorophenyl)(2-hydroxy-3-methoxyphenyl)methyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","","- C31 H29 Cl N2 O4 -","- C31 H29 Cl N2 O4 -","- C124 H116 Cl4 N8 O16 -","4","1","","Chu, Ming-Ming; Qi, Suo-Suo; Ju, Wan-Zhen; Wang, Yi-Feng; Chen, Xue-Yang; Xu, Dan-Qian; Xu, Zhen-Yuan","Asymmetric organocatalytic conjugated addition of pyrazolin-5-ones to ortho-quinomethanes: construction of vicinal tertiary and all-carbon quaternary stereocenters","Organic Chemistry Frontiers","2019","6","8","1140","","10.1039/C9QO00011A","","","0.71073","MoKα","","0.0615","0.0448","","","0.1069","0.1185","","","","","","1.083","","","","has coordinates","238058","2020-10-21","18:00:00",""
"1554709","9.4007","0.0002","10.8468","0.0002","21.7267","0.0005","90","","90","","90","","2215.42","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Br N2 O4 S -","- C21 H23 Br N2 O4 S -","- C84 H92 Br4 N8 O16 S4 -","4","1","","Shen, Guoli; Khan, Ruhima; Lv, Haiping; Yang, Yong; Zhang, Xia; Zhan, Yong; Zhou, Yongyun; Fan, Baomin","Palladium/silver co-catalyzed syn-stereoselective asymmetric ring-opening reactions of azabenzonorbornadienes with amides","Organic Chemistry Frontiers","2019","6","9","1423","","10.1039/C9QO00041K","","","1.54178","CuKα","","0.0365","0.0364","","","0.0944","0.0946","","","","","","1.087","","","","has coordinates","238069","2020-10-21","18:00:00",""
"1554727","5.0429","0.001","11.88","0.002","25.83","0.005","90","","90","","90","","1547.5","0.5","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N O4 -","- C15 H18 Br N O4 -","- C60 H72 Br4 N4 O16 -","4","1","","Hu, Hui-Juan; Chen, Peng; Ao, Yu-Fei; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang","Highly efficient biocatalytic desymmetrization of meso carbocyclic 1,3-dicarboxamides: a versatile route for enantiopure 1,3-disubstituted cyclohexanes and cyclopentanes","Organic Chemistry Frontiers","2019","6","6","808","","10.1039/C9QO00069K","","","0.710747","MoKα","","0.0274","0.026","","","0.0573","0.0583","","","","","","1.066","","","","has coordinates","238079","2020-10-21","18:00:00",""
"1554728","6.5631","0.0014","12.796","0.003","18.385","0.004","90","","90","","90","","1544","0.6","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N O4 -","- C15 H18 Br N O4 -","- C60 H72 Br4 N4 O16 -","4","1","","Hu, Hui-Juan; Chen, Peng; Ao, Yu-Fei; Wang, Qi-Qiang; Wang, De-Xian; Wang, Mei-Xiang","Highly efficient biocatalytic desymmetrization of meso carbocyclic 1,3-dicarboxamides: a versatile route for enantiopure 1,3-disubstituted cyclohexanes and cyclopentanes","Organic Chemistry Frontiers","2019","6","6","808","","10.1039/C9QO00069K","","","0.71073","MoKα","","0.0529","0.0457","","","0.0763","0.0794","","","","","","1.147","","","","has coordinates","238079","2020-10-21","18:00:00",""
"1554737","11.452","0.0009","13.8346","0.0012","22.8016","0.0019","90","","90","","90","","3612.5","0.5","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 Cl4 N3 Ni O3 -","- C36 H39 Cl4 N3 Ni O3 -","- C144 H156 Cl16 N12 Ni4 O12 -","4","1","","Larionov, Vladimir A.; Stoletova, Nadezhda V.; Kovalev, Vladislav I.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I.","A general synthesis of unnatural α-amino acids by iron-catalysed olefin‒olefin coupling via generated radicals","Organic Chemistry Frontiers","2019","6","8","1094","","10.1039/C9QO00108E","","","0.71073","MoKα","","0.0869","0.0634","","","0.1587","0.1773","","","","","","1.031","","","","has coordinates","238086","2020-10-21","18:00:00",""
"1554738","5.459","0.0003","7.8884","0.0003","51.7461","0.0018","90","","90","","90","","2228.33","0.17","295","2","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Br O3 -","- C24 H27 Br O3 -","- C96 H108 Br4 O12 -","4","1","","Xin, Xiaodong; Pan, Xinhui; Meng, Zhilin; Liu, Xigong; Liu, Lei","Catalytic enantioselective cross-dehydrogenative coupling of 3,6-dihydro-2H-pyrans with aldehydes","Organic Chemistry Frontiers","2019","6","9","1448","","10.1039/C9QO00123A","","x-ray","1.54184","CuKα","","0.0752","0.068","","","0.1962","0.2027","","","","","","1.055","","","","has coordinates","238088","2020-10-21","18:00:00",""
"1554746","10.391","0.002","12.429","0.003","18.269","0.004","90","","90","","90","","2359.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N O3 -","- C28 H35 N O3 -","- C112 H140 N4 O12 -","4","1","","Xu, Pengfei; Luan, Hongyu; Yu, Bin; Tu, Yongrui; Sun, Yongqiang; Chen, Wei; Xu, Xi; Ge, Raoling; Wang, Jubo; Li, Zhiyu; Bian, Jinlei","Synthesis and characterization of potential stereoisomeric and degradation impurities of ulipristal acetate","Organic Chemistry Frontiers","2019","6","6","868","","10.1039/C9QO00144A","","","0.71073","MoKα","","0.1157","0.0623","","","0.139","0.1676","","","","","","1.003","","","","has coordinates","238094","2020-10-21","18:00:00",""
"1554753","7.9152","0.0009","11.4088","0.0014","28.388","0.003","90","","90","","90","","2563.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl N O4 -","- C31 H26 Cl N O4 -","- C124 H104 Cl4 N4 O16 -","4","1","","He, Zhao-Lin; Sheong, Fu Kit; Li, Qing-Hua; Lin, Zhenyang; Wang, Chun-Jiang","Exoselective 1,3-dipolar [3 + 6] cycloaddition of azomethine ylides with 2-acylcycloheptatrienes: stereoselectivity and mechanistic insight.","Organic letters","2015","17","6","1365","1368","10.1021/acs.orglett.5b00011","","","0.71073","MoKα","","0.0692","0.0397","","","0.0708","0.0821","","","","","","0.993","","","","has coordinates","238101","2020-10-21","18:00:00",""
"1554776","13.871","0.0009","15.1622","0.0009","64.627","0.004","90","","90","","90","","13592","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H26 N1.6 O10 -","- C33 H26 N1.6 O10 -","- C660 H520 N32 O200 -","20","5","","Cao, Pei; Yang, Jing; Miao, Cui-Ping; Yan, Yijun; Ma, Ya-Tuan; Li, Xiao-Nian; Zhao, Li-Xing; Huang, Sheng-Xiong","New duclauxamide from Penicillium manginii YIM PH30375 and structure revision of the duclauxin family.","Organic letters","2015","17","5","1146","1149","10.1021/acs.orglett.5b00081","","","1.54178","CuKα","","0.2965","0.1368","","","0.2977","0.3783","","","","","","1.082","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1554777","8.4621","0.0005","19.7458","0.001","21.2129","0.001","90","","90","","90","","3544.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N O3 P -","- C21 H18 N O3 P -","- C168 H144 N8 O24 P8 -","8","2","","Bard, Jeremy P.; Deng, Chun-Lin; Richardson, Hannah C.; Odulio, Jacob M.; Barker, Joshua E.; Zakharov, Lev N.; Cheong, Paul H.-Y.; Johnson, Darren W.; Haley, Michael M.","Synthesis, photophysical properties, and self-dimerization studies of 2-λ5-phosphaquinolin-2-ones","Organic Chemistry Frontiers","2019","6","8","1257","","10.1039/C9QO00199A","","","1.54178","CuKα","","0.0849","0.0738","","","0.1871","0.1949","","","","","","1.066","","","","has coordinates","238115","2020-10-21","18:00:00",""
"1554793","10.7482","0.0003","12.7229","0.0005","16.152","0.0007","90","","90","","90","","2208.76","0.14","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 I N2 O3 S -","- C24 H21 I N2 O3 S -","- C96 H84 I4 N8 O12 S4 -","4","1","","Fu, Shaomin; Yang, Honghao; Li, Guoqiang; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei","Copper(II)-catalyzed enantioselective intramolecular cyclization of N-alkenylureas.","Organic letters","2015","17","4","1018","1021","10.1021/acs.orglett.5b00131","","","0.71073","MoKα","","0.0649","0.0416","","","0.0732","0.0828","","","","","","1.021","","","","has coordinates","238121","2020-10-21","18:00:00",""
"1554795","11.6434","0.0005","14.186","0.0005","17.6525","0.0006","90","","90","","90","","2915.72","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H23 Br F3 N2 O3 -","- C36 H23 Br F3 N2 O3 -","- C144 H92 Br4 F12 N8 O12 -","4","1","","Li, Boyu; Gao, Fengyun; Feng, Xing; Sun, Mengmeng; Guo, Yifei; Wen, Dongwa; Deng, Yabo; Huang, Jinqi; Wang, Kairong; Yan, Wenjin","Highly efficient enantioselective synthesis of bispiro[benzofuran-oxindole-pyrrolidine]s through organocatalytic cycloaddition","Organic Chemistry Frontiers","2019","6","10","1567","","10.1039/C9QO00241C","","","1.54178","CuKα","","0.0321","0.0315","","","0.0782","0.0786","","","","","","1.001","","","","has coordinates","238123","2020-10-21","18:00:00",""
"1554800","12.0011","0.0003","13.3921","0.0003","17.7454","0.0004","90","","90","","90","","2852.04","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O6 -","- C29 H44 O6 -","- C116 H176 O24 -","4","1","","Zhang, Na; Shi, Zhengyi; Guo, Yi; Xie, Shuangshuang; Qiao, Yuben; Li, Xiao-Nian; Xue, Yongbo; Luo, Zengwei; Zhu, Hucheng; Chen, Chunmei; Hu, Linzhen; Zhang, Yonghui","The absolute configurations of hyperilongenols A‒C: rare 12,13-seco-spirocyclic polycyclic polyprenylated acylphloroglucinols with enolizable β,β′-tricarbonyl systems from Hypericum longistylum Oliv.","Organic Chemistry Frontiers","2019","6","9","1491","","10.1039/C9QO00245F","","","1.54178","CuKα","","0.0316","0.0316","","","0.0813","0.0814","","","","","","1.072","","","","has coordinates","238126","2020-10-21","18:00:00",""
"1554804","10.3874","0.0006","17.4963","0.001","18.3521","0.0009","90","","90","","90","","3335.3","0.3","115","","115","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H43 B2 Fe P -","- C40 H43 B2 Fe P -","- C160 H172 B8 Fe4 P4 -","4","1","","Bayardon, Jérôme; Bernard, Julie; Rémond, Emmanuelle; Rousselin, Yoann; Malacea-Kabbara, Raluca; Jugé, Sylvain","Efficient synthesis of (P-chirogenic) o-boronated phosphines from sec-phosphine boranes.","Organic letters","2015","17","5","1216","1219","10.1021/acs.orglett.5b00167","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0293","0.0265","","","0.0669","0.0688","","","","","","1.063","","","","has coordinates,has disorder","238127","2020-10-21","18:00:00",""
"1554811","9.7212","0.0001","10.3208","0.0001","28.5171","0.0003","90","","90","","90","","2861.14","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H30 N2 O7 -","- C34 H30 N2 O7 -","- C136 H120 N8 O28 -","4","1","","Liu, Xiong-Li; Zuo, Xiong; Wang, Jun-Xin; Chang, Shun-qin; Wei, Qi-Di; Zhou, Ying","A bifunctional pyrazolone‒chromone synthon directed organocatalytic double Michael cascade reaction: forging five stereocenters in structurally diverse hexahydroxanthones","Organic Chemistry Frontiers","2019","6","9","1485","","10.1039/C9QO00265K","","x-ray","1.54184","CuKα","","0.0327","0.0323","","","0.081","0.0813","","","","","","1.084","","","","has coordinates","238133","2020-10-21","18:00:00",""
"1554814","9.4387","0.001","22.551","0.002","28.131","0.004","90","","90","","90","","5987.7","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 N O6 S -","- C34 H35 N O6 S -","- C272 H280 N8 O48 S8 -","8","2","","Peng, Peng; Geng, Yiqun; Göttker-Schnetmann, Inigo; Schmidt, Richard R.","2-Nitro-thioglycosides: α- and β-selective generation and their potential as β-selective glycosyl donors.","Organic letters","2015","17","6","1421","1424","10.1021/acs.orglett.5b00295","","","0.71073","MoKα","","0.087","0.0428","","","0.0557","0.0645","","","","","","0.751","","","","has coordinates,has disorder","238136","2020-10-21","18:00:00",""
"1554818","6.4981","0.0003","15.2542","0.0006","17.146","0.0006","90","","90","","90","","1699.57","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 F3 O3 -","- C18 H17 F3 O3 -","- C72 H68 F12 O12 -","4","1","","Chen, Daoqian; Lu, Long; Shen, Qilong","[Ag(bpy)(PPhtBu2)(OCF3)]: a stable nucleophilic reagent for chemoselective and stereospecific trifluoromethoxylation of secondary alkyl nosylates","Organic Chemistry Frontiers","2019","6","11","1801","","10.1039/C9QO00278B","","","1.54178","CuKα","","0.0469","0.0445","","","0.1257","0.1298","","","","","","1.048","","","","has coordinates","238138","2020-10-21","18:00:00",""
"1554823","8.061","0.0002","10.8588","0.0002","27.7356","0.0006","90","","90","","90","","2427.77","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O4 -","- C27 H40 O4 -","- C108 H160 O16 -","4","1","","Xu, Hou-Chao; Hu, Kun; Shi, Xiao-Huo; Tang, Jian-Wei; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","Synergistic use of NMR computation and quantitative interproton distance analysis in the structural determination of neokadcoccitane A, a rearranged triterpenoid featuring an aromatic ring D from Kadsura coccinea","Organic Chemistry Frontiers","2019","6","10","1619","","10.1039/C9QO00281B","","","1.54178","CuKα","","0.036","0.0358","","","0.0981","0.0984","","","","","","1.085","","","","has coordinates","238140","2020-10-21","18:00:00",""
"1554836","9.5782","0.0006","11.765","0.0004","20.2153","0.0009","90","","90","","90","","2278.01","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N4 O5 -","- C22 H26 N4 O5 -","- C88 H104 N16 O20 -","4","1","","Dai, Chuan; Ma, Jun; Li, Min; Wu, Wen; Xia, Xuefeng; Zhang, Jinqiang","Diversity-oriented submonomer synthesis of azapeptides mediated by the Mitsunobu reaction","Organic Chemistry Frontiers","2019","6","14","2529","","10.1039/C9QO00296K","","","0.71073","MoKα","","0.0883","0.0601","","","0.1385","0.1634","","","","","","1.072","","","","has coordinates","238144","2020-10-21","18:00:00",""
"1554841","9.2455","0.0012","10.1411","0.0013","14.412","0.0018","90","","90","","90","","1351.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br N2 O2 -","- C14 H15 Br N2 O2 -","- C56 H60 Br4 N8 O8 -","4","1","","Gu, Xiaodong; Dai, Yuanyuan; Guo, Tingting; Franchino, Allegra; Dixon, Darren J.; Ye, Jinxing","A general, scalable, organocatalytic nitro-Michael addition to enones: enantioselective access to all-carbon quaternary stereocenters.","Organic letters","2015","17","6","1505","1508","10.1021/acs.orglett.5b00387","","","0.71073","MoKα","","0.0414","0.0334","","","0.0811","0.0843","","","","","","1.006","","","","has coordinates","238149","2020-10-21","18:00:00",""
"1554865","12.2161","0.0005","12.5468","0.0005","16.7879","0.0007","90","","90","","90","","2573.13","0.18","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O9 S -","- C24 H22 N2 O9 S -","- C96 H88 N8 O36 S4 -","4","1","","Zhou, Qing; Chen, Bo; Huang, Xiao-Bing; Zeng, Ya-Li; Chu, Wen-Dao; He, Long; Liu, Quan-Zhong","Palladium-catalyzed diastereo- and enantioselective formal [3 + 2] cycloaddition of vinyl cyclopropanes with cyclic 1-azadienes","Organic Chemistry Frontiers","2019","6","11","1891","","10.1039/C9QO00325H","","","1.54178","CuKα","","0.072","0.0579","","","0.1392","0.1531","","","","","","1.088","","","","has coordinates","238162","2020-10-21","18:00:00",""
"1554868","5.9309","0.0006","17.47","0.002","19.675","0.003","90","","90","","90","","2038.6","0.4","173","2","173","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","4-spiropyrazolone","3-(4-chlorophenyl)-7-methoxy-3'-methyl-1'-phenyl-3H-spiro[benzofuran-2,4'-pyrazol]-5'(1'H)-one","","- C24 H19 Cl N2 O3 -","- C24 H19 Cl N2 O3 -","- C96 H76 Cl4 N8 O12 -","4","1","","Chu, Ming-Ming; Qi, Suo-Suo; Wang, Yi-Feng; Wang, Biao; Jiang, Zhen-Hui; Xu, Dan-Qian; Xu, Zhen-Yuan","Organocatalytic asymmetric [4 + 1] annulation of in situ generated ortho-quinomethanes with 4-halo pyrazolones: straightforward access to chiral spiro-benzofuran pyrazolones","Organic Chemistry Frontiers","2019","6","12","1977","","10.1039/C9QO00332K","","","0.71073","MoKα","","0.0663","0.0585","","","0.1544","0.1624","","","","","","1.085","","","","has coordinates","238164","2020-10-21","18:00:00",""
"1554873","5.9724","0.0004","14.8969","0.001","16.4863","0.0011","90","","90","","90","","1466.79","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Peraino, Nicholas J.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Diastereoselective synthesis of γ-lactones through reaction of enediolates with α,β-unsaturated sulfoxonium salts.","Organic letters","2015","17","7","1735","1737","10.1021/acs.orglett.5b00545","","","1.54178","CuKα","","0.0441","0.0392","","","0.0962","0.1003","","","","","","1.051","","","","has coordinates","238169","2020-10-21","18:00:00",""
"1554874","8.0029","0.0001","15.3468","0.0003","17.8042","0.0003","90","","90","","90","","2186.69","0.06","299.44","0.1","299.44","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O8 -","- C23 H30 O8 -","- C92 H120 O32 -","4","1","","Guo, Cui; Wang, Pei; Lin, Xiuping; Salendra, Limbadri; Kong, Fandong; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Phloroglucinol heterodimers and bis-indolyl alkaloids from the sponge-derived fungus Aspergillus sp. SCSIO 41018","Organic Chemistry Frontiers","2019","6","17","3053","","10.1039/C9QO00351G","","x-ray","1.54184","CuKα","","0.0361","0.0333","","","0.0883","0.0915","","","","","","1.081","","","","has coordinates","238170","2020-10-21","18:00:00",""
"1554879","8.09067","0.00008","25.4976","0.0003","41.3088","0.0004","90","","90","","90","","8521.7","0.15","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28.33333 H40.33333 N O9.33333 -","- C28.3333 H40.3333 N O9.33333 -","- C340 H484 N12 O112 -","12","3","","Guo, Cui; Wang, Pei; Lin, Xiuping; Salendra, Limbadri; Kong, Fandong; Liao, Shengrong; Yang, Bin; Zhou, Xuefeng; Wang, Junfeng; Liu, Yonghong","Phloroglucinol heterodimers and bis-indolyl alkaloids from the sponge-derived fungus Aspergillus sp. SCSIO 41018","Organic Chemistry Frontiers","2019","6","17","3053","","10.1039/C9QO00351G","","x-ray","1.54184","CuKα","","0.0426","0.037","","","0.0941","0.0974","","","","","","1.046","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1554886","10.9357","0.0005","11.7723","0.0006","24.8931","0.0009","90","","90","","90","","3204.7","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 Cl3 N2 O5 S -","- C33 H27 Cl3 N2 O5 S -","- C132 H108 Cl12 N8 O20 S4 -","4","1","","Ren, Xiao-Rui; Lin, Jun-Bing; Hu, Xiu-Qin; Xu, Peng-Fei","Bifunctional Brønsted base catalyzed inverse-electron-demand aza-Diels‒Alder reactions of saccharin-derived 1-azadienes with azlactones","Organic Chemistry Frontiers","2019","6","13","2280","","10.1039/C9QO00357F","","","0.71073","MoKα","","0.0793","0.056","","","0.1179","0.1352","","","","","","1.048","","","","has coordinates,has disorder","238179","2020-10-21","18:00:00",""
"1554891","7.229","0.004","11.212","0.006","22.921","0.012","90","","90","","90","","1857.8","1.7","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cl O5 -","- C21 H21 Cl O5 -","- C84 H84 Cl4 O20 -","4","1","","Lv, Xue-Jiao; Zhao, Wei-Wei; Chen, Ying-Han; Wan, Sheng-Biao; Liu, Yan-Kai","Organocatalytic asymmetric synthesis of both cis- and trans-configured pyrano[2,3-b]chromenes via different dehydration pathways","Organic Chemistry Frontiers","2019","6","12","1972","","10.1039/C9QO00366E","","","0.71073","MoKα","","0.1004","0.0738","","","0.1835","0.2015","","","","","","1.002","","","","has coordinates","238183","2020-10-21","18:00:00",""
"1554893","10.5134","0.0013","7.5193","0.0009","22.921","0.003","90","","90","","90","","1812","0.4","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Cl O4 -","- C21 H19 Cl O4 -","- C84 H76 Cl4 O16 -","4","1","","Lv, Xue-Jiao; Zhao, Wei-Wei; Chen, Ying-Han; Wan, Sheng-Biao; Liu, Yan-Kai","Organocatalytic asymmetric synthesis of both cis- and trans-configured pyrano[2,3-b]chromenes via different dehydration pathways","Organic Chemistry Frontiers","2019","6","12","1972","","10.1039/C9QO00366E","","","0.71073","MoKα","","0.0627","0.0472","","","0.1089","0.119","","","","","","1.036","","","","has coordinates","238183","2020-10-21","18:00:00",""
"1554899","8.9194","0.0008","12.8315","0.0012","18.5057","0.0018","90","","90","","90","","2118","0.3","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O3 -","- C24 H36 O3 -","- C96 H144 O12 -","4","1","","Zhao, Nan; Xie, Shengling; Tian, Peilin; Tong, Rongbiao; Ning, Chengqing; Xu, Jing","Asymmetric total synthesis of (+)-astellatol and (−)-astellatene","Organic Chemistry Frontiers","2019","6","12","2014","","10.1039/C9QO00384C","","","1.54184","CuKα","","0.0724","0.0659","","","0.1672","0.1734","","","","","","1.069","","","","has coordinates","238189","2020-10-21","18:00:00",""
"1554900","6.1403","0.001","13.657","0.003","20.719","0.004","90","","90","","90","","1737.5","0.6","100","2","100.04","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S,3R,5R)-ethyl 5-chloro-3-hydroxy-2-(((4-nitrophenyl)sulfonyl)oxy)hexanoate","","- C14 H18 Cl N O8 S -","- C14 H18 Cl N O8 S -","- C56 H72 Cl4 N4 O32 S4 -","4","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","","0.71073","MoKα","","0.0649","0.0403","","","0.0738","0.0828","","","","","","1.022","","","","has coordinates","238191","2020-10-21","18:00:00",""
"1554901","9.9964","0.0003","10.5385","0.0003","17.4587","0.0005","90","","90","","90","","1839.22","0.09","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Zhang, Jing; Tang, Xuli; Han, Xiao; Feng, Danqing; Luo, Xiangchao; Ofwegen, Leen van; Li, Pinglin; Li, Guoqiang","Sarcoglaucins A-I, new antifouling cembrane-type diterpenes from the South China Sea soft coral Sarcophyton glaucum","Organic Chemistry Frontiers","2019","6","12","2004","","10.1039/C9QO00386J","","x-ray","1.54184","CuKα","","0.042","0.0365","","","0.0822","0.0857","","","","","","1.039","","","","has coordinates","238192","2020-10-21","18:00:00",""
"1554902","5.8932","0.0006","9.8358","0.001","14.7998","0.0015","90","","90","","90","","857.86","0.15","100","","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4R)-2,4-dichlorohexane-1,3-diol","","- C6 H12 Cl2 O2 -","- C6 H12 Cl2 O2 -","- C24 H48 Cl8 O8 -","4","1","","Shemet, Andrej; Sarlah, David; Carreira, Erick M.","Stereochemical studies of the opening of chloro vinyl epoxides: cyclic chloronium ions as intermediates.","Organic letters","2015","17","8","1878","1881","10.1021/acs.orglett.5b00558","","x-ray","0.71073","MoKα","K-L~3~","0.0179","0.0172","","","0.0441","0.0445","","","","","","1.1","","","","has coordinates","238193","2020-10-21","18:00:00",""
"1554912","9.9728","0.0013","10.8425","0.0014","25.575","0.003","90","","90","","90","","2765.4","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 B2 F8 N5 O -","- C20 H41 B2 F8 N5 O -","- C80 H164 B8 F32 N20 O4 -","4","1","","Mirabdolbaghi, Roya; Dudding, Travis","Expanding the forefront of strong organic Brønsted acids: proton-catalyzed hydroamination of unactivated alkenes and activation of Au(I) for alkyne hydroamination.","Organic letters","2015","17","8","1930","1933","10.1021/acs.orglett.5b00617","","","0.71073","MoKα","","0.0584","0.0481","","","0.1346","0.1405","","","","","","1.071","","","","has coordinates","238202","2020-10-21","18:00:00",""
"1554913","6.8959","0.0008","7.1261","0.0006","24.02","0.003","90","","90","","90","","1180.4","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Feng, Guang-Shou; Zhao, Zi-Biao; Shi, Lei; Zhou, Yong-Gui","Iridium-catalyzed asymmetric hydrogenation of quinazolinones","Organic Chemistry Frontiers","2019","6","13","2250","","10.1039/C9QO00443B","","","1.54178","CuKα","","0.1156","0.0683","","","0.1729","0.2048","","","","","","0.912","","","","has coordinates","238203","2020-10-21","18:00:00",""
"1554917","5.8836","0.0004","19.2027","0.0012","26.5181","0.0016","90","","90","","90","","2996","0.3","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F3 N O -","- C18 H16 F3 N O -","- C144 H128 F24 N8 O8 -","8","2","","Geoghegan, Kimberly; Bode, Jeffrey W.","Bespoke SnAP reagents for the synthesis of C-substituted spirocyclic and bicyclic saturated N-heterocycles.","Organic letters","2015","17","8","1934","1937","10.1021/acs.orglett.5b00618","","x-ray","1.54178","CuKα","","0.0467","0.0355","","","0.0773","0.0821","","","","","","1.014","","","","has coordinates","238207","2020-10-21","18:00:00",""
"1554918","8.4795","0.0001","18.0358","0.0001","21.5437","0.0001","90","","90","","90","","3294.78","0.05","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H27 Br F3 N3 O3 -","- C35 H27 Br F3 N3 O3 -","- C140 H108 Br4 F12 N12 O12 -","4","1","","Zhao, Xiaoyun; Xiong, Jiale; An, Junkai; Yu, Jicong; Zhu, Liping; Feng, Xing; Jiang, Xianxing","Diastereodivergent construction of bispiro[oxindole-bi-pyrrolidine]s with four consecutive stereocenters via asymmetric [3 + 2] cycloaddition of 2,3-dioxopyrrolidines using identical catalysts","Organic Chemistry Frontiers","2019","6","12","1989","","10.1039/C9QO00452A","","x-ray","1.54184","CuKα","","0.0591","0.0577","","","0.1511","0.1528","","","","","","1.041","","","","has coordinates","238208","2020-10-21","18:00:00",""
"1554919","11.9726","0.0002","16.0021","0.0003","18.2529","0.0004","90","","90","","90","","3497.01","0.12","149.99","0.1","149.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 Cl2 F4 N2 O3 -","- C40 H32 Cl2 F3 N3 O3 -","- C160 H128 Cl8 F12 N12 O12 -","4","1","","Zhao, Xiaoyun; Xiong, Jiale; An, Junkai; Yu, Jicong; Zhu, Liping; Feng, Xing; Jiang, Xianxing","Diastereodivergent construction of bispiro[oxindole-bi-pyrrolidine]s with four consecutive stereocenters via asymmetric [3 + 2] cycloaddition of 2,3-dioxopyrrolidines using identical catalysts","Organic Chemistry Frontiers","2019","6","12","1989","","10.1039/C9QO00452A","","x-ray","1.54184","CuKα","","0.0556","0.0528","","","0.1401","0.1448","","","","","","1.026","","","","has coordinates,has disorder","238208","2020-10-21","18:00:00",""
"1554924","6.42","0.0003","8.0707","0.0003","40.1927","0.0015","90","","90","","90","","2082.54","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 F N2 O5 Si -","- C19 H29 F N2 O5 Si -","- C76 H116 F4 N8 O20 Si4 -","4","1","","Istrate, Alena; Medvecky, Michal; Leumann, Christian J.","2'-Fluorination of tricyclo-DNA controls furanose conformation and increases RNA affinity.","Organic letters","2015","17","8","1950","1953","10.1021/acs.orglett.5b00662","","x-ray","0.71073","MoKα","","0.0472","0.0432","","","0.0973","0.0995","","","","","","1.1","","","","has coordinates","238212","2020-10-21","18:00:00",""
"1554925","9.1965","0.0003","9.694","0.0004","38.3086","0.0014","90","","90","","90","","3415.2","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 Br Cl3 N3 O4 -","- C38 H31 Br Cl3 N3 O4 -","- C152 H124 Br4 Cl12 N12 O16 -","4","1","","Zhang, Jing; Chan, Wai-Lun; Chen, Ligong; Ullah, Nisar; Lu, Yixin","Creation of bispiro[pyrazolone-3,3′-oxindoles] via a phosphine-catalyzed enantioselective [3 + 2] annulation of the Morita‒Baylis‒Hillman carbonates with pyrazoloneyldiene oxindoles","Organic Chemistry Frontiers","2019","6","13","2210","","10.1039/C9QO00471H","","","1.54178","CuKα","","0.0252","0.0249","","","0.0597","0.0599","","","","","","1.082","","","","has coordinates,has disorder","238213","2020-10-21","18:00:00",""
"1554930","5.36225","0.00005","12.0412","0.0001","27.5363","0.0003","90","","90","","90","","1777.96","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 S3 -","- C16 H25 N O2 S3 -","- C64 H100 N4 O8 S12 -","4","1","","Das, Manas; O'Shea, Donal F","Silyloxide-promoted diastereoselective addition of aryl and heterocyclic trimethylsilanes to N-tert-butanesulfinylimines.","Organic letters","2015","17","8","1962","1965","10.1021/acs.orglett.5b00697","","","0.71073","MoKα","","0.0242","0.0226","","","0.0567","0.0576","","","","","","1.063","","","","has coordinates","238216","2020-10-21","18:00:00",""
"1554940","9.69927","0.00009","10.835","0.00009","16.94975","0.00013","90","","90","","90","","1781.28","0.03","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 F3 N O3 -","- C22 H18 F3 N O3 -","- C88 H72 F12 N4 O12 -","4","1","","Rabasa-Alcañiz, Fernando; Hammerl, Daniel; Sánchez-Merino, Anabel; Tejero, Tomás; Merino, Pedro; Fustero, Santos; del Pozo, Carlos","Asymmetric synthesis of polycyclic 3-fluoroalkylproline derivatives by intramolecular azomethine ylide cycloaddition","Organic Chemistry Frontiers","2019","6","16","2916","","10.1039/C9QO00525K","","x-ray","1.54184","CuKα","","0.0275","0.0271","","","0.0688","0.0691","","","","","","1.076","","","","has coordinates","238225","2020-10-21","18:00:00",""
"1554952","6.07714","0.00018","13.1618","0.0003","27.1117","0.0008","90","","90","","90","","2168.56","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O2 S -","- C25 H25 N O2 S -","- C100 H100 N4 O8 S4 -","4","1","","Shoji, Taku; Miura, Kota; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Endo, Yuya; Nagahata, Tatsuki; Mori, Shigeki; Okujima, Tetsuo","Synthesis of azuleno[2,1-b]thiophenes by cycloaddition of azulenylalkynes with elemental sulfur and their structural, optical and electrochemical properties","Organic Chemistry Frontiers","2019","6","15","2801","","10.1039/C9QO00593E","","","0.71073","MoKα","","0.0467","0.0402","","","0.0867","0.0895","","","","","","1.03","","","","has coordinates","238235","2020-10-21","18:00:00",""
"1554957","10.1603","0.0005","10.173","0.0004","23.5179","0.001","90","","90","","90","","2430.83","0.18","100","2","100.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl N O5 S -","- C27 H22 Cl N O5 S -","- C108 H88 Cl4 N4 O20 S4 -","4","1","","Lin, Wei; Lin, Xiao; Cheng, Yuyu; Chang, Xiaoyong; Zhou, San; Li, Pengfei; Li, Wenjun","Organocatalytic enantioselective direct vinylogous Michael addition of γ-substituted deconjugate butenolides to azadienes","Organic Chemistry Frontiers","2019","6","14","2452","","10.1039/C9QO00597H","","x-ray","0.71073","MoKα","","0.03","0.0274","","","0.0661","0.0674","","","","","","1.041","","","","has coordinates","238238","2020-10-21","18:00:00",""
"1554962","5.8832","0.0002","8.7875","0.0002","37.5443","0.0011","90","","90","","90","","1940.99","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O2 S -","- C20 H27 N O2 S -","- C80 H108 N4 O8 S4 -","4","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.052","0.0415","","","0.1086","0.1175","","","","","","1.024","","","","has coordinates","238241","2020-10-21","18:00:00",""
"1554963","8.87","0.0016","10.6671","0.0018","21.508","0.004","90","","90","","90","","2035","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O2 S -","- C22 H29 N O2 S -","- C88 H116 N4 O8 S4 -","4","1","","Rui, Kang-Hua; Yang, Song; Wei, Yin; Shi, Min","Rh(i)-Catalyzed stereoselective intramolecular cycloaddition reactions of ene-vinylidenecyclopropanes for the construction of fused 6,5-bicyclic skeletons with a quaternary all-carbon stereocenter","Organic Chemistry Frontiers","2019","6","14","2506","","10.1039/C9QO00611G","","","0.71073","MoKα","","0.0781","0.0496","","","0.1022","0.1128","","","","","","0.959","","","","has coordinates","238241","2020-10-21","18:00:00",""
"1554990","8.1609","0.0013","9.0398","0.0014","19.318","0.003","90","","90","","90","","1425.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O4 S -","- C15 H13 N O4 S -","- C60 H52 N4 O16 S4 -","4","1","","Liu, Yan-Kai; Li, Zhi-Long; Li, Ji-Yao; Feng, Huan-Xi; Tong, Zhi-Ping","Open-close: an alternative strategy to α-functionalization of lactone via enamine catalysis in one pot under mild conditions.","Organic letters","2015","17","8","2022","2025","10.1021/acs.orglett.5b00794","","","0.71073","MoKα","","0.0846","0.0806","","","0.2376","0.2429","","","","","","1.08","","","","has coordinates","238256","2020-10-21","18:00:00",""
"1554992","5.2776","0.0001","10.8907","0.0002","22.1326","0.0004","90","","90","","90","","1272.11","0.04","170","2","170.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Sun, Yao-Liang; Wei, Yin; Shi, Min","Phosphine-catalyzed fixation of CO2 with γ-hydroxyl alkynone under ambient temperature and pressure: kinetic resolution and further conversion","Organic Chemistry Frontiers","2019","6","14","2420","","10.1039/C9QO00642G","","","1.34139","GaKα","","0.0331","0.0327","","","0.0874","0.0878","","","","","","1.066","","","","has coordinates","238257","2020-10-21","18:00:00",""
"1554997","6.0211","0.0002","16.1241","0.0005","20.634","0.0005","90","","90","","90","","2003.25","0.1","127","2","127","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N4 O4 S -","- C21 H18 N4 O4 S -","- C84 H72 N16 O16 S4 -","4","1","","Li, Shi-Wu; Du, Yu; Kang, Qiang","A chiral-at-metal asymmetric catalyzed vinylogous Michael addition of ortho-methyl aromatic nitro compounds for isoxazole derivative synthesis","Organic Chemistry Frontiers","2019","6","15","2775","","10.1039/C9QO00676A","","","1.54184","CuKα","","0.104","0.0916","","","0.2275","0.2394","","","","","","1.064","","","","has coordinates","238261","2020-10-21","18:00:00",""
"1555004","8.03153","0.00018","10.686","0.0002","28.3689","0.0007","90","","90","","90","","2434.76","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 F N O2 -","- C28 H32 F N O2 -","- C112 H128 F4 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Frost, Aileen B.; Roberts, Paul M.; Thomson, James E.","Asymmetric Synthesis of Substituted anti-β-Fluorophenylalanines.","Organic letters","2015","17","9","2254","2257","10.1021/acs.orglett.5b00880","","","1.54184","CuKα","","0.0328","0.0318","","0.0801","0.0793","0.0801","","","","","","1.0054","","","","has coordinates","238268","2020-10-21","18:00:00",""
"1555022","8.6511","0.0017","11.009","0.002","15.784","0.003","90","","90","","90","","1503.3","0.5","273","","273","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-(1-(2-hydroxyphenyl)pentyl)cyclohex-2-enone","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Lewis, Robert S.; Garza, Christopher J.; Dang, Ann T.; Pedro, Te Kie A.; Chain, William J.","Michael Additions of Highly Basic Enolates to ortho-Quinone Methides.","Organic letters","2015","17","9","2278","2281","10.1021/acs.orglett.5b00972","","x-ray","0.71075","MoKα","","","0.1289","","","","0.4135","","","","","","1.577","","","","has coordinates","238275","2020-10-21","18:00:00",""
"1555052","7.3936","0.0009","10.5735","0.0012","17.817","0.002","90","","90","","90","","1392.9","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Peng, Shao-Zheng; Sha, Chin-Kang","Stereoselective Total Syntheses of Guanacastepenes N and O.","Organic letters","2015","17","14","3486","3489","10.1021/acs.orglett.5b01498","","","0.71073","MoKα","","0.0452","0.04","","","0.0951","0.0993","","","","","","1.084","","","","has coordinates","238296","2020-10-21","18:00:00",""
"1555057","8.2302","0.0004","14.4554","0.0006","16.2394","0.0007","90","","90","","90","","1932.01","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O11 -","- C21 H22 O11 -","- C84 H88 O44 -","4","1","","Zang, Yi; Gong, Yi-Hua; Li, Xu-Wen; Li, Xiao-Nian; Liu, Jun-Jun; Chen, Chun-Mei; Zhou, Yuan; Gu, Liang-Hu; Luo, Zeng-Wei; Wang, Jian-Ping; Sun, Wei-Guang; Zhu, Hu-Cheng; Zhang, Yong-Hui","Canescones A‒E: aromatic polyketide dimers with PTP1B inhibitory activity from Penicillium canescens","Organic Chemistry Frontiers","2019","6","18","3274","","10.1039/C9QO00820A","","","1.54178","CuKα","","0.04","0.0382","","","0.116","0.1193","","","","","","1.019","","","","has coordinates","238298","2020-10-21","18:00:00",""
"1555087","7.1385","0.0009","7.5039","0.001","19.126","0.003","90","","90","","90","","1024.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H1.8 F0.6 N0.4 O0.2 -","- C2 H1.8 F0.6 N0.4 O0.2 -","- C40 H36 F12 N8 O4 -","20","5","","Wang, Xiaonan; Gao, Yuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","An enantioselective aza-Henry reaction of trifluoromethyl ketimines catalyzed by phase-transfer catalysts","Organic Chemistry Frontiers","2019","6","18","3269","","10.1039/C9QO00850K","","","0.71073","MoKα","","0.0883","0.0458","","","0.0892","0.1034","","","","","","0.933","","","","has coordinates","238311","2020-10-21","18:00:00",""
"1555101","8.9187","0.0005","14.6101","0.0009","16.5218","0.0009","90","","90","","90","","2152.8","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","BM6","","- C25 H22 F N O5 -","- C25 H22 F N O5 -","- C100 H88 F4 N4 O20 -","4","1","","Bhattacharya, Aditya; mani Shukla, Pushpendra; Kumar Kaushik, Lalit; Maji, Biswajit","Synthesis of chromans and kinetic resolution of 2-aryl-3-nitro-2H-chromenes via the NHC-bound azolium homoenolate pathway","Organic Chemistry Frontiers","2019","6","20","3523","","10.1039/C9QO00868C","","x-ray","0.71073","MoKα","","0.0976","0.0578","","","0.1202","0.1502","","","","","","1.072","","","","has coordinates","238322","2020-10-21","18:00:00",""
"1555108","6.345","0.001","8.9881","0.0015","15.108","0.003","90","","90","","90","","861.6","0.3","291","2","291","2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R,6R,8S)-5,7,9-trioxatricyclo[6.4.0.0^2,6^]dodecan-4-one","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","1","","Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan","Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.","Organic letters","2015","17","14","3604","3607","10.1021/acs.orglett.5b01707","","","0.71073","MoKa","","0.0357","0.0346","","","0.0865","0.0875","","","","","","1.082","","","","has coordinates","238325","2020-10-21","18:00:00",""
"1555110","7.9759","0.0004","16.1628","0.0008","31.7213","0.0015","90","","90","","90","","4089.3","0.3","120","2","120","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 O3 S -","- C26 H20 O3 S -","- C208 H160 O24 S8 -","8","2","","Dočekal, Vojtěch; Formánek, Bedřich; Císařová, Ivana; Veselý, Jan","A formal [4 + 2] cycloaddition of sulfur-containing alkylidene heterocycles with allenic compounds","Organic Chemistry Frontiers","2019","6","18","3259","","10.1039/C9QO00886A","","","0.71073","MoKα","","0.0458","0.0383","","","0.0854","0.089","","","","","","1.086","","","","has coordinates","238326","2020-10-21","18:00:00",""
"1555111","5.7472","0.0002","16.912","0.0006","22.0104","0.0008","90","","90","","90","","2139.34","0.13","120","2","120","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O3 S -","- C27 H21 N O3 S -","- C108 H84 N4 O12 S4 -","4","1","","Dočekal, Vojtěch; Formánek, Bedřich; Císařová, Ivana; Veselý, Jan","A formal [4 + 2] cycloaddition of sulfur-containing alkylidene heterocycles with allenic compounds","Organic Chemistry Frontiers","2019","6","18","3259","","10.1039/C9QO00886A","","","1.54178","CuKα","","0.0265","0.0255","","","0.0627","0.0633","","","","","","1.075","","","","has coordinates","238326","2020-10-21","18:00:00",""
"1555112","7.4987","0.0002","12.2482","0.0003","16.8063","0.0003","90","","90","","90","","1543.58","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arboridinine","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Wong, Suet-Pick; Gan, Chew-Yan; Lim, Kuan-Hon; Ting, Kang-Nee; Low, Yun-Yee; Kam, Toh-Seok","Arboridinine, a Pentacyclic Indole Alkaloid with a New Cage Carbon-Nitrogen Skeleton Derived from a Pericine Precursor.","Organic letters","2015","17","14","3628","3631","10.1021/acs.orglett.5b01757","","","0.71073","MoKα","","0.033","0.0314","","","0.0864","0.088","","","","","","1.09","","","","has coordinates","238327","2020-10-21","18:00:00",""
"1555126","7.789","0.002","11.669","0.003","15.029","0.004","90","","90","","90","","1366","0.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O3 S -","- C13 H19 N O3 S -","- C52 H76 N4 O12 S4 -","4","1","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0361","0.0357","","","0.0838","0.084","","","","","","1.187","","","","has coordinates","238337","2020-10-21","18:00:00",""
"1555131","5.168","0.0004","15.6589","0.0007","15.9344","0.0011","90","","90","","90","","1289.49","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 N3 O2 S -","- C16 H9 N3 O2 S -","- C64 H36 N12 O8 S4 -","4","1","","Recio, Javier; Pérez-Redondo, Adrián; Alvarez-Builla, Julio; Burgos, Carolina","Access to 2-substituted 1-pyridin-3-yl-β-carboline derivatives by intramolecular radical cyclization-ring opening-SNAr substitution","Organic Chemistry Frontiers","2019","6","18","3300","","10.1039/C9QO00944B","","x-ray","0.71073","MoKα","","0.0688","0.0445","","","0.0842","0.0938","","","","","","1.087","","","","has coordinates","238342","2020-10-21","18:00:00",""
"1555134","7.6751","0.0015","12.59","0.003","22.275","0.005","90","","90","","90","","2152.4","0.8","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br Cl N O4 S -","- C20 H23 Br Cl N O4 S -","- C80 H92 Br4 Cl4 N4 O16 S4 -","4","1","","Liu, Weigang; Pan, Hongjie; Tian, Hua; Shi, Yian","Enantioselective 6-exo-Bromoaminocyclization of Homoallylic N-Tosylcarbamates Catalyzed by a Novel Monophosphine-Sc(OTf)3 Complex.","Organic letters","2015","17","16","3956","3959","10.1021/acs.orglett.5b01779","","","0.71073","MoKα","","0.0369","0.034","","","0.0661","0.0674","","","","","","1.109","","","","has coordinates,has disorder","238344","2020-10-21","18:00:00",""
"1555141","7.3838","0.0011","11.2551","0.0015","24.298","0.003","90","","90","","90","","2019.3","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","","Sun, Jing; Sun, Quan-Shun; Yan, Chao-Guo","Efficient synthesis of novel cyclic fused-phenothiazines via domino cyclization of 2-(benzo[b][1,4]thiazin-3-ylidene)acetate, aromatic aldehydes and cyclic 1,3-diketones","Organic Chemistry Frontiers","2019","6","20","3555","","10.1039/C9QO00951E","","","0.71073","MoKα","","0.1009","0.0506","","","0.0889","0.1005","","","","","","1.04","","","","has coordinates","238346","2020-10-21","18:00:00",""
"1555148","11.13642","0.00007","14.74032","0.00008","46.2616","0.0003","90","","90","","90","","7594.04","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 N O3 S2 -","- C43 H48 N O3 S2 -","- C344 H384 N8 O24 S16 -","8","2","","Ding, Ran; Zheng, Bo; Wang, Yan; Peng, Yungui","A Cation-Directed Enantioselective Sulfur-Mediated Michael/Mannich Three-Component Domino Reaction involving Chalcones as Michael Acceptors.","Organic letters","2015","17","17","4128","4131","10.1021/acs.orglett.5b01833","","","1.54184","CuKα","","0.0459","0.0455","","","0.1247","0.125","","","","","","1.059","","","","has coordinates,has disorder","275856","2022-06-07","07:08:27",""
"1555149","4.888","0.001","9.8","0.002","18.388","0.004","90","","90","","90","","880.8","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C32 H32 N8 O16 -","4","1","","Salahifar, Eslam; Nematollahi, Davood; Bayat, Mehdi; Mahyari, Amir; Amiri Rudbari, Hadi","Regioselective Green Electrochemical Approach to the Synthesis of Nitroacetaminophen Derivatives.","Organic letters","2015","17","19","4666","4669","10.1021/acs.orglett.5b01837","","","0.71073","MoKα","","0.0506","0.029","","","0.0558","0.06","","","","","","0.808","","","","has coordinates","238348","2020-10-21","18:00:00",""
"1555153","7.3872","0.0002","10.8747","0.0003","16.4977","0.0004","90","","90","","90","","1325.32","0.06","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Cecchini, Chiara; Cera, Gianpiero; Lanzi, Matteo; Marchiò, Luciano; Malacria, Max; Maestri, Giovanni","Diastereoselective bicyclization of enynols via gold catalysis","Organic Chemistry Frontiers","2019","6","20","3584","","10.1039/C9QO00963A","","","1.54184","CuKα","","0.0307","0.0306","","","0.0833","0.0835","","","","","","1.059","","","","has coordinates","238351","2020-10-21","18:00:00",""
"1555160","8.594","0.0003","11.8962","0.0008","13.1105","0.0005","90","","90","","90","","1340.36","0.11","109.65","0.1","109.65","0.1","","","","","","","Clitocybe Clavipes","3","P 21 21 21","P 2ac 2ab","19","clavilactone A","","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","","Sun, Zhaocui; Zhu, Nailiang; Zhou, Man; Huo, Xiaowei; Wu, Haifeng; Tian, Yu; Yang, Junshan; Ma, Guoxu; Yang, Yan-Long; Xu, Xudong","Clavipines A‒C, antiproliferative meroterpenoids with a fused azepine skeleton from the basidiomycete Clitocybe clavipes","Organic Chemistry Frontiers","2019","6","22","3759","","10.1039/C9QO01005J","","x-ray","1.54184","CuKα","","0.0389","0.0384","","","0.0986","0.0991","","","","","","1.09","","","","has coordinates","238356","2020-10-21","18:00:00",""
"1555169","5.9864","0.0001","18.2027","0.0004","21.5323","0.0004","90","","90","","90","","2346.35","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O6 Si -","- C25 H22 N2 O6 Si -","- C100 H88 N8 O24 Si4 -","4","1","","Vale, João R.; Valkonen, Arto; Afonso, Carlos A. M.; Candeias, Nuno R.","Synthesis of silacyclopent-2-en-4-ols via intramolecular [2 + 2] photocycloaddition of benzoyl(allyl)silanes","Organic Chemistry Frontiers","2019","6","22","3793","","10.1039/C9QO01028A","","","1.54184","CuKα","","0.0383","0.0344","","","0.0848","0.0875","","","","","","1.022","","","","has coordinates","238364","2020-10-21","18:00:00",""
"1555170","9.136","0.0003","10.6809","0.0003","42.2825","0.0012","90","","90","","90","","4126","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O7 -","- C22 H26 O7 -","- C176 H208 O56 -","8","2","","Bera, Srikrishna; Daniliuc, Constantin G.; Studer, Armido","Enantioselective Synthesis of Substituted δ-Lactones by Cooperative Oxidative N-Heterocyclic Carbene and Lewis Acid Catalysis.","Organic letters","2015","17","20","4940","4943","10.1021/acs.orglett.5b01932","","","1.54178","CuKα","","0.0231","0.0227","","","0.0585","0.0589","","","","","","1.04","","","","has coordinates","238365","2020-10-21","18:00:00",""
"1555171","8.5586","0.0003","9.2119","0.0003","27.3349","0.0008","90","","90","","90","","2155.11","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O7 -","- C23 H28 O7 -","- C92 H112 O28 -","4","1","","Bera, Srikrishna; Daniliuc, Constantin G.; Studer, Armido","Enantioselective Synthesis of Substituted δ-Lactones by Cooperative Oxidative N-Heterocyclic Carbene and Lewis Acid Catalysis.","Organic letters","2015","17","20","4940","4943","10.1021/acs.orglett.5b01932","","","1.54178","CuKα","","0.0631","0.0618","","","0.1241","0.1245","","","","","","1.358","","","","has coordinates","238365","2020-10-21","18:00:00",""
"1555174","12.7263","0.0005","18.5197","0.0007","24.0727","0.0009","90","","90","","90","","5673.6","0.4","100","2","100","2","","","","","","","Penicillium expansum YJ-15","3","P 21 21 21","P 2ac 2ab","19","","expanstine D","","- C22 H30.66667 O4.33333 -","- C22 H30.6667 O4.33333 -","- C264 H368 O52 -","12","3","","Wang, Jia-Peng; Shu, Yan; Liu, Shi-Xi; Hu, Jun-Tao; Sun, Cheng-Tong; Zhou, Hao; Gan, Dong; Cai, Xue-Yun; Pu, Wei; Cai, Le; Ding, Zhong-Tao","Expanstines A–D: four unusual isoprenoid epoxycyclohexenones generated by Penicillium expansum YJ-15 fermentation and photopromotion","Organic Chemistry Frontiers","2019","6","23","3839","","10.1039/C9QO01076A","","","1.54178","CuKα","","0.0494","0.0427","","","0.1223","0.1322","","","","","","0.987","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1555183","12.652","0.002","19.153","0.004","22.403","0.004","90","","90","","90","","5428.8","1.7","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H38 Cl2 N4 O4 S4 -","- C48 H38 Cl2 N4 O4 S4 -","- C192 H152 Cl8 N16 O16 S16 -","4","1","","Chen, Xiang; Zhang, Jun-Qi; Yin, Shao-Jie; Li, Hai-Yan; Zhou, Wei-Qun; Wang, Xing-Wang","Asymmetric Construction of Spiro[thiopyranoindole-benzoisothiazole] Scaffold via a Formal [3 + 3] Spiroannulation.","Organic letters","2015","17","17","4188","4191","10.1021/acs.orglett.5b01951","","","0.71073","MoKα","","0.1102","0.0573","","","0.1242","0.1396","","","","","","0.868","","","","has coordinates","238374","2020-10-21","18:00:00",""
"1555187","6.1472","0.0015","11.724","0.003","27.834","0.007","90","","90","","90","","2006","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl2 N O2 S -","- C19 H21 Cl2 N O2 S -","- C76 H84 Cl8 N4 O8 S4 -","4","1","","Huang, Ze-Ao; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Stereoselective Synthesis of Enantioenriched 2-Chloro-2-aroylaziridines by Cascade Reaction between Aryl Nitriles, Silyldichloromethanes, and tert-Butanesulfinylimines.","Organic letters","2015","17","16","4042","4045","10.1021/acs.orglett.5b01954","","","0.71073","MoKα","","0.0396","0.0323","","","0.0782","0.0828","","","","","","1.017","","","","has coordinates","238376","2020-10-21","18:00:00",""
"1555192","8.434","0.006","9.511","0.007","23.843","0.016","90","","90","","90","","1913","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl N O2 S -","- C19 H20 Cl N O2 S -","- C76 H80 Cl4 N4 O8 S4 -","4","1","","Huang, Ze-Ao; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Stereoselective Synthesis of Enantioenriched 2-Chloro-2-aroylaziridines by Cascade Reaction between Aryl Nitriles, Silyldichloromethanes, and tert-Butanesulfinylimines.","Organic letters","2015","17","16","4042","4045","10.1021/acs.orglett.5b01954","","","0.71073","MoKα","","0.1328","0.0515","","","0.0798","0.1024","","","","","","0.996","","","","has coordinates","238379","2020-10-21","18:00:00",""
"1555194","7.2944","0.0019","14.078","0.004","19.047","0.006","90","","90","","90","","1955.9","1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N3 O -","- C25 H19 N3 O -","- C100 H76 N12 O4 -","4","1","","Takamatsu, Kazutaka; Hirano, Koji; Miura, Masahiro","Copper-Catalyzed Formal [4 + 1] Cycloaddition of Benzamides and Isonitriles via Directed C-H Cleavage.","Organic letters","2015","17","16","4066","4069","10.1021/acs.orglett.5b01986","","","0.71075","MoKα","","","0.0765","","","","0.1834","","","","","","1.037","","","","has coordinates","238381","2020-10-21","18:00:00",""
"1555221","10.41941","0.00001","18.297","0.0002","36.8632","0.0005","90","","90","","90","","7027.75","0.12","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22.67 N2 O2.33 -","- C32 H22.6193 N2 O2.33333 -","- C384 H271.432 N24 O28 -","12","3","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","0.71073","MoKα","","0.0594","0.0406","","","0.0937","0.1041","","","","","","1.044","","","","has coordinates,has disorder","238401","2020-10-21","18:00:00",""
"1555222","7.9491","0.0005","16.7592","0.001","18.1848","0.001","90","","90","","90","","2422.6","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22 N2 O2 -","- C32 H22 N2 O2 -","- C128 H88 N8 O8 -","4","1","","Takaishi, Kazuto; Suzuki, Jun; Yabe, Tatsuya; Asano, Hikaru; Nishikawa, Michihiro; Hashizume, Daisuke; Muranaka, Atsuya; Uchiyama, Masanobu; Yokoyama, Akihiro","Conformational and Optical Characteristics of Unidirectionally Twisted Binaphthyl-Bipyridyl Cyclic Dyads.","Organic letters","2015","17","16","4098","4101","10.1021/acs.orglett.5b02041","","","0.71073","MoKα","","0.0357","0.0347","","","0.076","0.0766","","","","","","1.095","","","","has coordinates","238402","2020-10-21","18:00:00",""
"1555226","8.9629","0.0004","14.1297","0.0008","18.6198","0.0009","90","","90","","90","","2358.1","0.2","295.42","0.1","295.42","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O3 S -","- C28 H24 N2 O3 S -","- C112 H96 N8 O12 S4 -","4","1","","Wang, Linqing; Yang, Dongxu; Li, Dan; Liu, Xihong; Zhao, Qian; Zhu, Ranran; Zhang, Bangzhi; Wang, Rui","Catalytic Asymmetric [3 + 2] Cyclization Reactions of 3-Isothiocyanato Oxindoles and Alkynyl Ketones Via an in Situ Generated Magnesium Catalyst.","Organic letters","2015","17","17","4260","4263","10.1021/acs.orglett.5b02052","","x-ray","0.71073","MoKα","","0.0578","0.0459","","","0.0877","0.0957","","","","","","1.068","","","","has coordinates","238406","2020-10-21","18:00:00",""
"1555236","5.8616","0.0002","11.0435","0.0004","18.6965","0.0008","90","","90","","90","","1210.27","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F O2 -","- C14 H17 F O2 -","- C56 H68 F4 O8 -","4","1","","Navuluri, Chandrasekhar; Charette, André B","Diastereoselective Fluorocyclopropanation of Chiral Allylic Alcohols Using an α-Fluoroiodomethylzinc Carbenoid.","Organic letters","2015","17","17","4288","4291","10.1021/acs.orglett.5b02097","","x-ray","1.34139","GaKα","","0.0251","0.0241","","","0.0579","0.0586","","","","","","1.048","","","","has coordinates","238415","2020-10-21","18:00:00",""
"1555249","12.8306","0.0006","13.8096","0.0006","19.054","0.0009","90","","90","","90","","3376.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 Br N3 O3 -","- C40 H34 Br N3 O3 -","- C160 H136 Br4 N12 O12 -","4","1","","Jing, Changcheng; Xing, Dong; Hu, Wenhao","Catalytic Asymmetric Four-Component Reaction for the Rapid Construction of 3,3-Disubstituted 3-Indol-3'-yloxindoles.","Organic letters","2015","17","17","4336","4339","10.1021/acs.orglett.5b02160","","","0.71073","MoKα","","0.1007","0.0454","","","0.0916","0.1161","","","","","","1.012","","","","has coordinates","238423","2020-10-21","18:00:00",""
"1555281","11.226","0.002","12.666","0.002","33.431","0.006","90","","90","","90","","4753.5","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-bV(CH2COOEt)-bL(CH2COOEt)-bV(CH2COOEt)-OBn","Boc-bV(CH2COOEt)-bL(CH2COOEt)-bV(CH2COOEt)-OBn","","- C43 H69 N3 O12 -","- C43 H69 N3 O12 -","- C172 H276 N12 O48 -","4","1","","Ganesh Kumar, Mothukuri; Gopi, Hosahudya N.","γ- and β-Peptide Foldamers from Common Multifaceted Building Blocks: Synthesis and Structural Characterization.","Organic letters","2015","17","19","4738","4741","10.1021/acs.orglett.5b02263","","","0.71073","MoKα","","0.1533","0.0709","","","0.1583","0.2027","","","","","","0.997","","","","has coordinates,has disorder","238433","2020-10-21","18:00:00",""
"1555308","7.1386","0.0001","8.0009","0.0001","23.6032","0.0004","90","","90","","90","","1348.1","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Cheng, Tanyu; Ye, Qunqun; Zhao, Qiankun; Liu, Guohua","Dynamic Kinetic Resolution of Phthalides via Asymmetric Transfer Hydrogenation: A Strategy Constructs 1,3-Distereocentered 3-(2-Hydroxy-2-arylethyl)isobenzofuran-1(3H)-one.","Organic letters","2015","17","20","4972","4975","10.1021/acs.orglett.5b02394","","","1.54178","CuKα","","0.0322","0.032","","","0.082","0.0822","","","","","","1.086","","","","has coordinates","238457","2020-10-21","18:00:00",""
"1555314","8.1216","0.0007","11.5944","0.001","21.1982","0.0018","90","","90","","90","","1996.1","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F3 N3 O5 -","- C20 H18 F3 N3 O5 -","- C80 H72 F12 N12 O20 -","4","1","","Henderson, Alexander S.; Medina, Sandra; Bower, John F.; Galan, M. Carmen","Nucleophilic Aromatic Substitution (SNAr) as an Approach to Challenging Carbohydrate-Aryl Ethers.","Organic letters","2015","17","19","4846","4849","10.1021/acs.orglett.5b02413","","","0.71073","MoKα","","0.0555","0.0368","","","0.0712","0.0791","","","","","","1.044","","","","has coordinates","238464","2020-10-21","18:00:00",""
"1555339","11.3754","0.0001","11.9359","0.0001","14.185","0.0001","90","","90","","90","","1925.98","0.03","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Liao, Hai-Bing; Lei, Chun; Gao, Li-Xin; Li, Jing-Ya; Li, Jia; Hou, Ai-Jun","Two Enantiomeric Pairs of Meroterpenoids from Rhododendron capitatum.","Organic letters","2015","17","20","5040","5043","10.1021/acs.orglett.5b02515","","","1.54178","CuKα","","0.0363","0.0351","","","0.0942","0.0959","","","","","","1.041","","","","has coordinates","238511","2020-10-21","18:00:00",""
"1555343","6.0749","0.0007","8.2818","0.0009","25.017","0.003","90","","90","","90","","1258.6","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O2 -","- C13 H21 N O2 -","- C52 H84 N4 O8 -","4","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0533","0.0499","","","0.1302","0.1356","","","","","","1.034","","","","has coordinates","238519","2020-10-21","18:00:00",""
"1555344","10.7069","0.0007","10.8672","0.0006","19.656","0.0012","90","","90","","90","","2287.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O2 -","- C11 H19 N O2 -","- C88 H152 N8 O16 -","8","2","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0492","0.0473","","","0.1307","0.1334","","","","","","0.936","","","","has coordinates","238520","2020-10-21","18:00:00",""
"1555347","6.742","0.0002","7.2944","0.0002","15.8577","0.0004","90","","90","","90","","779.86","0.04","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","","Wright, Stephen W.; Choi, Chulho; Chung, Seungwon; Boscoe, Brian P.; Drozda, Susan E.; Mousseau, James J.; Trzupek, John D.","Reversal of Diastereoselection in the Conjugate Addition of Cuprates to Unsaturated Lactams.","Organic letters","2015","17","21","5204","5207","10.1021/acs.orglett.5b02533","","","1.54178","CuKα","","0.0616","0.0613","","","0.1297","0.131","","","","","","1.339","","","","has coordinates","238526","2020-10-21","18:00:00",""
"1555354","5.287","0.0002","9.4826","0.0003","34.033","0.0012","90","","90","","90","","1706.23","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 N2 O -","- C18 H32 N2 O -","- C72 H128 N8 O4 -","4","1","","Bosch, Caroline; Fiser, Béla; Gómez-Bengoa, Enrique; Bradshaw, Ben; Bonjoch, Josep","Approach to cis-Phlegmarine Alkaloids via Stereodivergent Reduction: Total Synthesis of (+)-Serratezomine E and Putative Structure of (-)-Huperzine N.","Organic letters","2015","17","20","5084","5087","10.1021/acs.orglett.5b02581","","","1.54178","CuKα","","0.0401","0.036","","","0.0915","0.0943","","","","","","1.083","","","","has coordinates","238539","2020-10-21","18:00:00",""
"1555355","6.6742","0.0015","12.874","0.003","25.688","0.005","90","","90","","90","","2207.2","0.8","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N O4 -","- C24 H24 Br N O4 -","- C96 H96 Br4 N4 O16 -","4","1","","Das, Tapas; Saha, Prasenjit; Singh, Vinod K.","Silver(I)-Ferrophox Catalyzed Enantioselective Desymmetrization of Cyclopentenedione: Synthesis of Highly Substituted Bicyclic Pyrrolidines.","Organic letters","2015","17","20","5088","5091","10.1021/acs.orglett.5b02582","","","0.71073","MoKα","","0.1257","0.063","","","0.1431","0.1703","","","","","","0.996","","","","has coordinates","238541","2020-10-21","18:00:00",""
"1555358","9.6947","0.0012","12.5617","0.0014","21.062","0.003","90","","90","","90","","2565","0.6","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 F6 N3 P Pd -","- C25 H26 F6 N3 P Pd -","- C100 H104 F24 N12 P4 Pd4 -","4","1","","Álvarez-Casao, Yolanda; Monge, David; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M","Pyridine-Hydrazones as N,N'-Ligands in Asymmetric Catalysis: Pd(II)-Catalyzed Addition of Boronic Acids to Cyclic Sulfonylketimines.","Organic letters","2015","17","20","5104","5107","10.1021/acs.orglett.5b02613","","","0.71073","MoKα","","0.0327","0.0312","","","0.0845","0.0855","","","","","","1.04","","","","has coordinates,has disorder","238546","2020-10-21","18:00:00",""
"1555371","7.5169","0.0003","10.5263","0.0005","16.5993","0.0008","90","","90","","90","","1313.42","0.1","88","2","88","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O2 S2 -","- C14.4167 H11 N O2 S1.8438 -","- C57.6668 H44 N4 O8 S7.3752 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0283","0.0275","","","0.0754","0.0762","","","","","","1.076","","","","has coordinates","238569","2020-10-21","18:00:00",""
"1555372","7.7171","0.0005","7.9486","0.0005","23.816","0.0014","90","","90","","90","","1460.88","0.16","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0342","0.0294","","","0.0678","0.0706","","","","","","1.04","","","","has coordinates","238571","2020-10-21","18:00:00",""
"1555374","7.5472","0.0005","10.3052","0.0007","16.2327","0.001","90","","90","","90","","1262.5","0.14","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O3 S -","- C14.1667 H11 N O2.875 S -","- C56.6668 H44 N4 O11.5 S4 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0403","0.0363","","","0.0881","0.0909","","","","","","1.07","","","","has coordinates","238574","2020-10-21","18:00:00",""
"1555375","8.0916","0.0006","9.4218","0.0007","13.8016","0.001","90","","90","","90","","1052.2","0.13","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 S -","- C11 H11 N O2 S -","- C44 H44 N4 O8 S4 -","4","1","","Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.","Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.","Organic letters","2015","17","21","5340","5343","10.1021/acs.orglett.5b02692","","","0.71073","MoKα","","0.0265","0.0259","","","0.0672","0.0679","","","","","","1.058","","","","has coordinates","238576","2020-10-21","18:00:00",""
"1555376","6.625","0.003","10.223","0.004","31.029","0.012","90","","90","","90","","2101.5","1.5","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Br O6 -","- C24 H21 Br O6 -","- C96 H84 Br4 O24 -","4","1","","Liang, Zhi-Qin; Wang, Dong-Ling; Zhang, Han-Ming; Ye, Song","Enantioselective Synthesis of Bicyclic δ-Lactones via N-Heterocyclic Carbene-Catalyzed Cascade Reaction.","Organic letters","2015","17","20","5140","5143","10.1021/acs.orglett.5b02695","","","0.71073","MoKα","","0.063","0.057","","","0.1515","0.1592","","","","","","1.137","","","","has coordinates","238577","2020-10-21","18:00:00",""
"1555387","7.8202","0.0005","15.433","0.0009","28.4386","0.0017","90","","90","","90","","3432.2","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 N4 O6 -","- C37 H42 N4 O6 -","- C148 H168 N16 O24 -","4","1","","Chingle, Ramesh; Lubell, William D.","Azopeptides: Synthesis and Pericyclic Chemistry.","Organic letters","2015","17","21","5400","5403","10.1021/acs.orglett.5b02723","","x-ray","1.34139","GaKα","","0.046","0.0437","","","0.1225","0.1248","","","","","","1.022","","","","has coordinates,has disorder","238595","2020-10-21","18:00:00",""
"1555391","11.7863","0.0001","15.6266","0.0002","27.3025","0.0004","90","","90","","90","","5028.57","0.11","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H70 Cl I2 N7 O -","- C48 H70 Cl I2 N7 O -","- C192 H280 Cl4 I8 N28 O4 -","4","1","","Tepper, Ronny; Schulze, Benjamin; Görls, Helmar; Bellstedt, Peter; Jäger, Michael; Schubert, Ulrich S.","Preorganization in a Cleft-Type Anion Receptor Featuring Iodo-1,2,3-Triazoles As Halogen Bond Donors.","Organic letters","2015","17","23","5740","5743","10.1021/acs.orglett.5b02760","","","0.71073","MoKα","","0.0358","0.0319","","","0.0595","0.061","","","","","","1.082","","","","has coordinates","238603","2020-10-21","18:00:00",""
"1555396","7.5247","0.0004","13.1309","0.0007","15.066","0.0008","90","","90","","90","","1488.61","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O7 -","- C13 H20 N2 O7 -","- C52 H80 N8 O28 -","4","1","","Habibian, Maryam; Martínez-Montero, Saúl; Portella, Guillem; Chua, Zhijie; Bohle, D. Scott; Orozco, Modesto; Damha, Masad J.","Seven-Membered Ring Nucleoside Analogues: Stereoselective Synthesis and Studies on Their Conformational Properties.","Organic letters","2015","17","21","5416","5419","10.1021/acs.orglett.5b02769","","","0.71073","MoKα","","0.0376","0.0353","","","0.0976","0.0993","","","","","","1.076","","","","has coordinates","238605","2020-10-21","18:00:00",""
"1555399","7.5988","0.0004","8.4424","0.0004","21.953","0.001","90","","90","","90","","1408.33","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","MW5128","sarpong118","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond","Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.","Organic letters","2015","17","21","5432","5435","10.1021/acs.orglett.5b02797","","","0.71073","MoKα","","0.032","0.0314","","","0.0817","0.0823","","","","","","1.045","","","","has coordinates","238610","2020-10-21","18:00:00",""
"1555400","7.2672","0.0002","12.3762","0.0004","18.5597","0.0005","90","","90","","90","","1669.27","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","kro4-035","sarpong115","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Weber, Manuel; Owens, Kyle; Masarwa, Ahmad; Sarpong, Richmond","Construction of Enantiopure Taxoid and Natural Product-like Scaffolds Using a C-C Bond Cleavage/Arylation Reaction.","Organic letters","2015","17","21","5432","5435","10.1021/acs.orglett.5b02797","","","1.54178","CuKα","","0.0296","0.0291","","","0.0748","0.0753","","","","","","1.089","","","","has coordinates","238613","2020-10-21","18:00:00",""
"1555407","7.7963","0.0006","11.5859","0.0007","23.086","0.0017","90","","90","","90","","2085.3","0.3","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O6 S -","- C24 H21 N O6 S -","- C96 H84 N4 O24 S4 -","4","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0465","0.0431","","","0.0905","0.0921","","","","","","1.108","","","","has coordinates","238625","2020-10-21","18:00:00",""
"1555409","7.7017","0.0015","8.4118","0.0015","27.288","0.005","90","","90","","90","","1767.9","0.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O5 S -","- C20 H19 N O5 S -","- C80 H76 N4 O20 S4 -","4","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0418","0.0405","","","0.1247","0.1262","","","","","","1.018","","","","has coordinates","238629","2020-10-21","18:00:00",""
"1555412","6.8957","0.0019","12.551","0.003","22.629","0.006","90","","90","","90","","1958.5","0.9","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br F2 N O5 S -","- C17 H12 Br F2 N O5 S -","- C68 H48 Br4 F8 N4 O20 S4 -","4","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0425","0.0397","","","0.095","0.0976","","","","","","1.104","","","","has coordinates","238635","2020-10-21","18:00:00",""
"1555414","9.155","0.003","9.47","0.003","23.095","0.007","90","","90","","90","","2002.3","1.1","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br Cl N O5 S -","- C19 H17 Br Cl N O5 S -","- C76 H68 Br4 Cl4 N4 O20 S4 -","4","1","","Li, Zequan; Shi, Yian","Chiral Phosphine Oxide-Sc(OTf)3 Complex Catalyzed Enantioselective Bromoaminocyclization of 2-Benzofuranylmethyl N-Tosylcarbamates. Approach to a Novel Class of Optically Active Spiro Compounds.","Organic letters","2015","17","23","5752","5755","10.1021/acs.orglett.5b02817","","","0.71073","MoKα","","0.0493","0.0459","","","0.1068","0.1102","","","","","","1.097","","","","has coordinates","238638","2020-10-21","18:00:00",""
"1555415","6.5953","0.0015","9.079","0.002","21.403","0.005","90","","90","","90","","1281.6","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Shen, Yang; Li, Linbin; Pan, Zhisheng; Wang, Yinglu; Li, Jundong; Wang, Kuangyu; Wang, Xiance; Zhang, Youyu; Hu, Tianhui; Zhang, Yandong","Protecting-Group-Free Total Synthesis of (-)-Jiadifenolide: Development of a [4 + 1] Annulation toward Multisubstituted Tetrahydrofurans.","Organic letters","2015","17","21","5480","5483","10.1021/acs.orglett.5b02845","","","0.71073","MoKα","","0.0512","0.0505","","","0.1765","0.1778","","","","","","1","","","","has coordinates","238640","2020-10-21","18:00:00",""
"1555416","7.2691","0.0008","11.4811","0.001","21.668","0.002","90","","90","","90","","1808.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 O4 Si -","- C18 H28 O4 Si -","- C72 H112 O16 Si4 -","4","1","","Shen, Yang; Li, Linbin; Pan, Zhisheng; Wang, Yinglu; Li, Jundong; Wang, Kuangyu; Wang, Xiance; Zhang, Youyu; Hu, Tianhui; Zhang, Yandong","Protecting-Group-Free Total Synthesis of (-)-Jiadifenolide: Development of a [4 + 1] Annulation toward Multisubstituted Tetrahydrofurans.","Organic letters","2015","17","21","5480","5483","10.1021/acs.orglett.5b02845","","","0.71073","MoKα","","0.0633","0.0497","","","0.1263","0.1379","","","","","","0.879","","","","has coordinates","238640","2020-10-21","18:00:00",""
"1555421","5.8376","0.0002","10.6992","0.0004","37.5454","0.0014","90","","90","","90","","2345","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O5 S -","- C24 H31 N O5 S -","- C96 H124 N4 O20 S4 -","4","1","","Serpier, Fabien; Brayer, Jean-Louis; Folléas, Benoît; Darses, Sylvain","Access to Polyfunctionalized Chiral Piperidines through Enantioselective Addition-Carbocyclization Cascade Reaction Catalyzed by a Rhodium(I)-Diene Complex.","Organic letters","2015","17","21","5496","5499","10.1021/acs.orglett.5b02858","","","1.54178","CuKα","","0.0712","0.0447","","","0.0912","0.0994","","","","","","1.035","","","","has coordinates","238648","2020-10-21","18:00:00",""
"1555437","8.2785","0.0002","9.2956","0.0002","29.7576","0.0007","90","","90","","90","","2289.96","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N4 O5 -","- C25 H28 N4 O5 -","- C100 H112 N16 O20 -","4","1","","Yang, Van-Wei; Hong, Bor-Cherng; Kao, Hsin-Kai; Tu, Ting-Hsun; Shen, Jiun-Yi; Chen, Chi-Lin; Lee, Gene-Hsiang; Chou, Pi-Tai","One-Pot Dichotomous Construction of Inside-Azayohimban and Pro-Azayohimban Systems via an Enantioselective Organocatalytic Cascade; Their Use as a Model to Probe the (Aza-)Indole Local Solvent Environment.","Organic letters","2015","17","23","5816","5819","10.1021/acs.orglett.5b02949","","","0.71073","MoKα","","0.0909","0.04","","","0.0785","0.1047","","","","","","1.002","","","","has coordinates","238672","2020-10-21","18:00:00",""
"1555446","9.0068","0.0002","10.478","0.0003","16.4734","0.0004","90","","90","","90","","1554.65","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Lai, Zengwei; Wang, Zhaobin; Sun, Jianwei","Organocatalytic Asymmetric Nucleophilic Addition to o-Quinone Methides by Alcohols.","Organic letters","2015","17","24","6058","6061","10.1021/acs.orglett.5b03072","","x-ray","1.54184","CuKα","","0.0424","0.0352","","","0.0835","0.0883","","","","","","1","","","","has coordinates","238689","2020-10-21","18:00:00",""
"1555453","10.0955","0.0006","13.4185","0.0008","24.927","0.0015","90","","90","","90","","3376.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H54 O5 -","- C38 H54 O5 -","- C152 H216 O20 -","4","1","","Zhou, Min; Li, Xing-Ren; Tang, Jian-Wei; Liu, Yang; Li, Xiao-Nian; Wu, Bin; Qin, Hong-Bo; Du, Xue; Li, Li-Mei; Wang, Wei-Guang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusicides, Novel Unsymmetrical Cyclobutanes: Structural Elucidation and Concise Synthesis by a Combination of Intermolecular [2 + 2] Cycloaddition and C-H Functionalization.","Organic letters","2015","17","24","6062","6065","10.1021/acs.orglett.5b03079","","","1.54178","CuKα","","0.0662","0.05","","","0.1464","0.1552","","","","","","1.104","","","","has coordinates","238702","2020-10-21","18:00:00",""
"1555467","7.3238","0.0008","9.814","0.0011","19.747","0.002","90","","90","","90","","1419.3","0.3","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zhao, Jidong; Liu, Jun; Xie, Xin; Li, Shi; Liu, Yuanhong","Gold-Catalyzed Synthesis of Tropone and Its Analogues via Oxidative Ring Expansion of Alkynyl Quinols.","Organic letters","2015","17","23","5926","5929","10.1021/acs.orglett.5b03160","","","0.71073","MoKα","","0.0784","0.0491","","","0.0937","0.1054","","","","","","0.998","","","","has coordinates","238735","2020-10-21","18:00:00",""
"1555495","12.8376","0.0005","12.9227","0.0006","14.0967","0.0005","90","","90","","90","","2338.59","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br N3 O5.5 -","- C24 H22 Br N3 O5.5 -","- C96 H88 Br4 N12 O22 -","4","1","","Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy","Enantioselective Synthesis of Dihydrospiro[indoline-3,4'-pyrano[2,3-c]pyrazole] Derivatives via Michael/Hemiketalization Reaction.","Organic letters","2016","18","6","1354","1357","10.1021/acs.orglett.6b00287","","","0.71073","MoKα","","0.0902","0.0379","","","0.0952","0.1161","","","","","","1.022","","","","has coordinates,has disorder","238793","2020-10-21","18:00:00",""
"1555496","9.56524","0.00007","18.64102","0.00014","22.57118","0.00018","90","","90","","90","","4024.57","0.05","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F N O2 -","- C25 H22 F N O2 -","- C200 H176 F8 N8 O16 -","8","2","","Ošeka, Maksim; Kimm, Mariliis; Kaabel, Sandra; Järving, Ivar; Rissanen, Kari; Kanger, Tõnis","Asymmetric Organocatalytic Wittig [2,3]-Rearrangement of Oxindoles.","Organic letters","2016","18","6","1358","1361","10.1021/acs.orglett.6b00291","","x-ray","1.54184","CuKα","","0.0284","0.0281","","","0.0741","0.0744","","","","","","1.039","","","","has coordinates","238795","2020-10-21","18:00:00",""
"1555500","6.43415","0.00009","13.9695","0.0002","18.8234","0.0002","90","","90","","90","","1691.88","0.04","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Lin, Han; Xiao, Li-Jun; Zhou, Min-Jie; Yu, Hong-Ming; Xie, Jian-Hua; Zhou, Qi-Lin","Enantioselective Approach to (-)-Hamigeran B and (-)-4-Bromohamigeran B via Catalytic Asymmetric Hydrogenation of Racemic Ketone To Assemble the Chiral Core Framework.","Organic letters","2016","18","6","1434","1437","10.1021/acs.orglett.6b00369","","x-ray","1.54184","CuKα","","0.0322","0.0321","","","0.0848","0.085","","","","","","1.041","","","","has coordinates","238804","2020-10-21","18:00:00",""
"1555505","18.0825","0.0003","18.5554","0.0003","56.7015","0.001","90","","90","","90","","19024.9","0.6","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C164 H260 N4 O75 S3 -","- C164 H260 N4 O75 S3 -","- C656 H1040 N16 O300 S12 -","4","1","","Inouye, Masahiko; Yoshizawa, Atsushi; Shibata, Mari; Yonenaga, Yuki; Fujimoto, Kazuhisa; Sakata, Takuma; Matsumoto, Shinya; Shiro, Motoo","Cyclodextrin-Isolated Alkynylpyrenes as UV-Stable and Blue-Light-Emitting Molecules Even in Condensed States.","Organic letters","2016","18","9","1960","1963","10.1021/acs.orglett.6b00420","","","1.54187","CuKα","","0.1086","0.0997","","","0.2617","0.2703","","","","","","1.021","","","","has coordinates,has disorder","238813","2020-10-21","18:00:00",""
"1555509","6.891","0.002","11.883","0.004","20.413","0.007","90","","90","","90","","1671.5","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O5 -","- C17 H18 Cl N O5 -","- C68 H72 Cl4 N4 O20 -","4","1","","Raja, Arun; Hong, Bor-Cherng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Henry Reaction Cascade. An Entry to Highly Functionalized Hajos-Parrish-Type Ketones with Five to Six Contiguous Stereogenic Centers and Two Quaternary Carbons.","Organic letters","2016","18","8","1760","1763","10.1021/acs.orglett.6b00459","","","0.71073","MoKα","","0.0411","0.0365","","","0.0976","0.1119","","","","","","1.207","","","","has coordinates","238820","2020-10-21","18:00:00",""
"1555511","7.7825","0.0004","12.1682","0.0007","16.9656","0.0009","90","","90","","90","","1606.63","0.15","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Raja, Arun; Hong, Bor-Cherng; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Michael-Henry Reaction Cascade. An Entry to Highly Functionalized Hajos-Parrish-Type Ketones with Five to Six Contiguous Stereogenic Centers and Two Quaternary Carbons.","Organic letters","2016","18","8","1760","1763","10.1021/acs.orglett.6b00459","","","0.71073","MoKα","","0.0562","0.0475","","","0.1069","0.1116","","","","","","1.049","","","","has coordinates","238824","2020-10-21","18:00:00",""
"1555525","11.2183","0.0014","17.958","0.002","25.733","0.002","90","","90","","90","","5184.1","1","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H39 N O3 S Si -","- C23 H39 N O3 S Si -","- C184 H312 N8 O24 S8 Si8 -","8","2","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","0.71073","MoKα","","0.0469","0.0444","","","0.0988","0.101","","","","","","1.048","","","","has coordinates","238850","2020-10-21","18:00:00",""
"1555526","8.174","0.003","12.797","0.005","21.823","0.008","90","","90","","90","","2282.7","1.5","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N3 O3 -","- C25 H37 N3 O3 -","- C100 H148 N12 O12 -","4","1","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","0.71073","MoKα","","0.0677","0.0595","","","0.1051","0.1086","","","","","","1.133","","","","has coordinates","238851","2020-10-21","18:00:00",""
"1555528","7.71375","0.00006","8.88494","0.00009","28.0459","0.0002","90","","90","","90","","1922.16","0.03","180.01","0.1","180.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 N O5 -","- C18 H31 N O5 -","- C72 H124 N4 O20 -","4","1","","Xu, Bing; Li, Guang; Li, Jing; Shi, Yian","Total Synthesis of the Proposed Structure of Marineosin A.","Organic letters","2016","18","9","2028","2031","10.1021/acs.orglett.6b00632","","","1.54184","CuKα","","0.0378","0.0372","","","0.1035","0.1042","","","","","","1.075","","","","has coordinates","238853","2020-10-21","18:00:00",""
"1555542","9.7169","0.0002","10.1381","0.0002","17.5286","0.0003","90","","90","","90","","1726.76","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Wan, Luo-Sheng; Nian, Yin; Ye, Chen-Jun; Shao, Li-Dong; Peng, Xing-Rong; Geng, Chang-An; Zuo, Zhi-Li; Li, Xiao-Nian; Yang, Jian; Zhou, Ming; Qiu, Ming-Hua","Three Minor Diterpenoids with Three Carbon Skeletons from Euphorbia peplus.","Organic letters","2016","18","9","2166","2169","10.1021/acs.orglett.6b00787","","","1.54178","CuKα","","0.0296","0.0296","","","0.0771","0.0771","","","","","","1.058","","","","has coordinates","238877","2020-10-21","18:00:00",""
"1555546","5.9977","0.0001","8.669","0.0001","42.0392","0.0007","90","","90","","90","","2185.79","0.06","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Ruchti, Jonathan; Carreira, Erick M.","Rh-Catalyzed Stereospecific Synthesis of Allenes from Propargylic Benzoates and Arylboronic Acids.","Organic letters","2016","18","9","2174","2176","10.1021/acs.orglett.6b00793","","x-ray","1.54178","CuKα","","0.0317","0.0299","","","0.0721","0.0732","","","","","","1.075","","","","has coordinates","238882","2020-10-21","18:00:00",""
"1555553","9.7821","0.0003","11.5835","0.0004","14.8591","0.0005","90","","90","","90","","1683.7","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ethyl (2'S,3R,4'S,5'S)-2'-ethyl-5-fluoro-5'-methyl-2-oxo-5',6' -dihydro-2'H,4'H-spiro[indoline-3,3'-pyran]-4'-carboxylate","","","- C18 H22 F N O4 -","- C18 H22 F N O4 -","- C72 H88 F4 N4 O16 -","4","1","","Zhu, Luyi; Chen, Qiliang; Shen, Dan; Zhang, Weihao; Shen, Cong; Zeng, Xiaofei; Zhong, Guofu","Enantioselective Construction of Spirocyclic Oxindole Derivatives with Multiple Stereocenters via an Organocatalytic Michael/Aldol/Hemiacetalization Cascade Reaction.","Organic letters","2016","18","10","2387","2390","10.1021/acs.orglett.6b00873","","","1.54178","CuKα","","0.0325","0.0311","","","0.0834","0.0847","","","","","","1.026","","","","has coordinates","238889","2020-10-21","18:00:00",""
"1555564","8.6938","0.0012","9.8115","0.0011","18.943","0.002","90","","90","","90","","1615.8","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O3 S -","- C16 H24 N2 O3 S -","- C64 H96 N8 O12 S4 -","4","1","","Crossley, Steven W. M.; Martinez, Ruben M.; Guevara-Zuluaga, Sebastián; Shenvi, Ryan A.","Synthesis of the Privileged 8-Arylmenthol Class by Radical Arylation of Isopulegol.","Organic letters","2016","18","11","2620","2623","10.1021/acs.orglett.6b01047","","x-ray","0.71073","MoKα","","0.0598","0.0472","","","0.1019","0.1106","","","","","","1.033","","","","has coordinates","238899","2020-10-21","18:00:00",""
"1555572","6.0956","0.0002","15.5691","0.0007","24.6358","0.0011","90","","90","","90","","2338.01","0.17","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aS,4bR,6S,10bR)-8,9-dimethoxy-1,1,4a,10b-tetramethyl-7-nitro-1,2,3,4,4a,4b,5,6,10b,11,12,12a,-dodecahydrochrysene-6-carbonitrile","","- C25 H34 N2 O4 -","- C25 H34 N2 O4 -","- C100 H136 N8 O16 -","4","1","","Nagaraju, Karre; Chegondi, Rambabu; Chandrasekhar, Srivari","Expanding Diversity without Protecting Groups: (+)-Sclareolide to Indolosesquiterpene Alkaloid Mycoleptodiscin A and Analogues.","Organic letters","2016","18","11","2684","2687","10.1021/acs.orglett.6b01145","","","0.71073","MoKα","","0.0874","0.059","","","0.1397","0.1581","","","","","","1.185","","","","has coordinates","238907","2020-10-21","18:00:00",""
"1555575","6.37164","0.00008","8.13751","0.00015","26.6535","0.0003","90","","90","","90","","1381.96","0.03","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 F3 N2 -","- C16 H15 F3 N2 -","- C64 H60 F12 N8 -","4","1","","Ma, Wenpeng; Chen, Fei; Liu, Youran; He, Yan-Mei; Fan, Qing-Hua","Ruthenium-Catalyzed Enantioselective Hydrogenation of 1,8-Naphthyridine Derivatives.","Organic letters","2016","18","11","2730","2733","10.1021/acs.orglett.6b01186","","","1.54184","CuKα","","0.0311","0.0309","","","0.079","0.0791","","","","","","1.068","","","","has coordinates,has disorder","238910","2020-10-21","18:00:00",""
"1555585","6.5067","0.0004","10.2546","0.0007","22.3875","0.0014","90","","90","","90","","1493.77","0.17","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Kubiak, 2nd, Robert W; Mighion, Jeffrey D.; Wilkerson-Hill, Sidney M; Alford, Joshua S.; Yoshidomi, Tetsushi; Davies, Huw M. L.","Enantioselective Intermolecular C-H Functionalization of Allylic and Benzylic sp(3) C-H Bonds Using N-Sulfonyl-1,2,3-triazoles.","Organic letters","2016","18","13","3118","3121","10.1021/acs.orglett.6b01298","","","0.71073","MoKα","","0.0547","0.0469","","","0.1122","0.1193","","","","","","1.027","","","","has coordinates","238920","2020-10-21","18:00:00",""
"1555587","8.662","0.0002","9.2342","0.0003","26.0487","0.0007","90","","90","","90","","2083.55","0.1","102","2","102","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Br N O5 -","- C22 H24 Br N O5 -","- C88 H96 Br4 N4 O20 -","4","1","","Das, Saikat; Chakrabarty, Shyamal; Daniliuc, Constantin G.; Studer, Armido","Tetrahydroquinolines via Stereospecific [3 + 3]-Annulation of Donor-Acceptor Cyclopropanes with Nitrosoarenes.","Organic letters","2016","18","11","2784","2787","10.1021/acs.orglett.6b01302","","","1.54178","CuKα","","0.0225","0.0219","","","0.0553","0.0556","","","","","","1.052","","","","has coordinates","238921","2020-10-21","18:00:00",""
"1555599","6.8328","0.0005","11.6515","0.0006","19.2975","0.0007","90","","90","","90","","1536.32","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C76 H80 N8 O4 -","4","1","","Rahman, M. Toufiqur; Deschamps, Jeffrey R.; Imler, Gregory H.; Schwabacher, Alan W.; Cook, James M.","Total Synthesis of Macrocarpines D and E via an Enolate-Driven Copper-Mediated Cross-Coupling Process: Replacement of Catalytic Palladium with Copper Iodide.","Organic letters","2016","18","17","4174","4177","10.1021/acs.orglett.6b01526","","","0.71073","MoKα","","0.0425","0.0351","","","0.0861","0.1031","","","","","","1.116","","","","has coordinates","238930","2020-10-21","18:00:00",""
"1555616","9.7462","0.0004","17.2319","0.0007","23.8323","0.001","90","","90","","90","","4002.5","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C49 H25 F9 -","- C49 H25 F9 -","- C196 H100 F36 -","4","1","","Rao, M. Rajeswara; Johnson, Shea; Perepichka, Dmitrii F.","Aromatization of Benzannulated Perylene-3,9-diones: Unexpected Photophysical Properties and Reactivity.","Organic letters","2016","18","15","3574","3577","10.1021/acs.orglett.6b01559","","x-ray","1.34139","GaKα","","0.0678","0.0528","","","0.1382","0.1454","","","","","","1.065","","","","has coordinates,has disorder","238948","2020-10-21","18:00:00",""
"1555617","9.7084","0.0003","15.1043","0.0009","16.6406","0.0008","90","","90","","90","","2440.2","0.2","101","","101","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pegaharmine A","","","- C26 H30 N4 O5 -","- C26 H30 N4 O5 -","- C104 H120 N16 O20 -","4","1","","Wang, Kai-Bo; Li, Da-Hong; Hu, Ping; Wang, Wen-Jing; Lin, Clement; Wang, Jian; Lin, Bin; Bai, Jiao; Pei, Yue-Hu; Jing, Yong-Kui; Li, Zhan-Lin; Yang, Danzhou; Hua, Hui-Ming","A Series of β-Carboline Alkaloids from the Seeds of Peganum harmala Show G-Quadruplex Interactions.","Organic letters","2016","18","14","3398","3401","10.1021/acs.orglett.6b01560","","","1.5418","CuKα","","0.0436","0.0402","","","0.0954","0.0982","","","","","","1.039","","","","has coordinates,has disorder","238949","2020-10-21","18:00:00",""
"1555622","5.5711","0.0002","6.5999","0.0002","40.0657","0.0012","90","","90","","90","","1473.16","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O S -","- C19 H15 N O S -","- C76 H60 N4 O4 S4 -","4","1","","Ahlemeyer, Nicholas A.; Birman, Vladimir B.","Asymmetric Catalytic Synthesis of Thiochromenes via an Acyl Transfer-Initiated Cascade.","Organic letters","2016","18","14","3454","3457","10.1021/acs.orglett.6b01639","","","0.71073","MoKα","","0.0335","0.0317","","","0.0832","0.0841","","","","","","1.085","","","","has coordinates","238954","2020-10-21","18:00:00",""
"1555623","7.9418","0.0008","9.0278","0.0009","28.012","0.003","90","","90","","90","","2008.4","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0369","0.0346","","","0.0875","0.0891","","","","","","1.073","","","","has coordinates","238955","2020-10-21","18:00:00",""
"1555625","8.352","0.0009","14.9946","0.0017","40.87","0.005","90","","90","","90","","5118.4","1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O8 -","- C28 H38 O8 -","- C224 H304 O64 -","8","2","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0593","0.0463","","","0.1112","0.1193","","","","","","1.069","","","","has coordinates","238957","2020-10-21","18:00:00",""
"1555626","7.4728","0.0007","11.6974","0.0011","33.552","0.003","90","","90","","90","","2932.9","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O8 -","- C31 H46 O8 -","- C124 H184 O32 -","4","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0685","0.0621","","","0.1857","0.1916","","","","","","1.039","","","","has coordinates","238958","2020-10-21","18:00:00",""
"1555628","13.3481","0.0011","15.278","0.0013","36.973","0.003","90","","90","","90","","7540","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O7 -","- C28 H40 O7 -","- C336 H480 O84 -","12","3","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0528","0.0429","","","0.0984","0.1037","","","","","","1.044","","","","has coordinates","238960","2020-10-21","18:00:00",""
"1555629","9.3211","0.0016","11.4032","0.0019","26.089","0.004","90","","90","","90","","2773","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 O9 -","- C28 H44 O9 -","- C112 H176 O36 -","4","1","","Ren, Jian; Shi, Xin; Li, Xiao-Nian; Li, Lai-Wei; Su, Jia; Shao, Li-Dong; Zhao, Qin-Shi","Synthesis of a Small-Molecule Library with Skeletal Diversity from Hemslecin A via the Reaction-Discovery Strategy.","Organic letters","2016","18","16","3948","3951","10.1021/acs.orglett.6b01654","","","0.71073","MoKα","","0.0532","0.0383","","","0.0921","0.0984","","","","","","1.029","","","","has coordinates","238961","2020-10-21","18:00:00",""
"1555635","9.01057","0.00016","10.9727","0.0002","17.5326","0.0004","90","","90","","90","","1733.45","0.06","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Tokuda, Ryoko; Okamoto, Yoshiki; Koyama, Tetsuya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","Asymmetric Total Synthesis of Kopsiyunnanine K, a Monoterpenoid Indole Alkaloid with a Rearranged Skeleton.","Organic letters","2016","18","14","3490","3493","10.1021/acs.orglett.6b01704","","","1.54187","CuKα","","","0.0345","","","","0.0793","","","","","","1.08","","","","has coordinates","238967","2020-10-21","18:00:00",""
"1555638","9.8499","0.0002","11.1882","0.0002","24.6237","0.0004","90","","90","","90","","2713.6","0.09","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C41 H26 -","- C41 H26 -","- C164 H104 -","4","1","","Oyama, Hiromi; Akiyama, Midori; Nakano, Koji; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko","Synthesis and Properties of [7]Helicene-like Compounds Fused with a Fluorene Unit.","Organic letters","2016","18","15","3654","3657","10.1021/acs.orglett.6b01708","","","1.54187","CuKα","","0.1146","0.0758","","","0.1882","0.2675","","","","","","1.777","","","","has coordinates","238970","2020-10-21","18:00:00",""
"1555645","5.0975","0.0001","10.807","0.0001","40.2707","0.0004","90","","90","","90","","2218.46","0.05","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C112 H116 N4 O8 -","4","1","","Li, Wenbo; Yu, Xiuzhao; Yue, Zhenting; Zhang, Junliang","Asymmetric Construction of 2,3-Dihydroisoxazoles via an Organocatalytic Formal [3 + 2] Cycloaddition of Enynes with N-Hydroxylamines.","Organic letters","2016","18","16","3972","3975","10.1021/acs.orglett.6b01737","","","1.54178","CuKα","","0.0308","0.0303","","","0.0782","0.0787","","","","","","1.035","","","","has coordinates","238977","2020-10-21","18:00:00",""
"1555646","7.2743","0.0005","10.1737","0.0007","32.241","0.002","90","","90","","90","","2386","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl2 O6 -","- C27 H22 Cl2 O6 -","- C108 H88 Cl8 O24 -","4","1","","Ashtekar, Kumar Dilip; Ding, Xinliang; Toma, Edmond; Sheng, Wei; Gholami, Hadi; Rahn, Christopher; Reed, Paul; Borhan, Babak","Mechanistically Inspired Route toward Hexahydro-2H-chromenes via Consecutive [4 + 2] Cycloadditions.","Organic letters","2016","18","16","3976","3979","10.1021/acs.orglett.6b01742","","","0.71073","MoKα","","0.0719","0.0462","","","0.1005","0.1237","","","","","","1.036","","","","has coordinates","238978","2020-10-21","18:00:00",""
"1555647","10.9256","0.0004","14.7077","0.0004","19.6645","0.0008","90","","90","","90","","3159.9","0.19","173","2","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Cl4 O8 -","- C31 H32 Cl4 O8 -","- C124 H128 Cl16 O32 -","4","1","","Ashtekar, Kumar Dilip; Ding, Xinliang; Toma, Edmond; Sheng, Wei; Gholami, Hadi; Rahn, Christopher; Reed, Paul; Borhan, Babak","Mechanistically Inspired Route toward Hexahydro-2H-chromenes via Consecutive [4 + 2] Cycloadditions.","Organic letters","2016","18","16","3976","3979","10.1021/acs.orglett.6b01742","","","1.54178","CuKα","","0.0953","0.0631","","","0.1459","0.1646","","","","","","1.011","","","","has coordinates","238979","2020-10-21","18:00:00",""
"1555660","10.2949","0.0004","10.4128","0.0005","16.2831","0.0007","90","","90","","90","","1745.53","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Zhou, Jinchuan; Zhang, Jiaozhen; Li, Ruijuan; Liu, Jun; Fan, Peihong; Li, Yi; Ji, Mei; Dong, Yiwen; Yuan, Huiqing; Lou, Hongxiang","Hapmnioides A-C, Rearranged Labdane-Type Diterpenoids from the Chinese Liverwort Haplomitrium mnioides.","Organic letters","2016","18","17","4274","4276","10.1021/acs.orglett.6b01854","","","1.54178","CuKα","","0.0529","0.0436","","","0.0989","0.1071","","","","","","1.026","","","","has coordinates","238992","2020-10-21","18:00:00",""
"1555665","6.3412","0.0001","17.9097","0.0001","23.6648","0.0001","90","","90","","90","","2687.59","0.05","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","1","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0351","0.0347","","","0.0953","0.0957","","","","","","1.029","","","","has coordinates","238997","2020-10-21","18:00:00",""
"1555666","9.6502","0.0003","13.9527","0.0006","31.7405","0.001","90","","90","","90","","4273.7","0.3","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H68 O6 -","- C45 H68 O6 -","- C180 H272 O24 -","4","1","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0804","0.0546","","","0.1469","0.1857","","","","","","1.04","","","","has coordinates","238998","2020-10-21","18:00:00",""
"1555668","9.9104","0.0001","10.8418","0.0001","26.6369","0.0002","90","","90","","90","","2862.04","0.04","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","1","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0769","0.0714","","","0.1541","0.1573","","","","","","1.041","","","","has coordinates,has disorder","239000","2020-10-21","18:00:00",""
"1555669","11.9618","0.0001","20.1271","0.0002","23.2612","0.0003","90","","90","","90","","5600.28","0.1","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C240 H368 O24 -","8","2","","Zhang, Ya-Long; Chen, Chen; Wang, Xiao-Bing; Wu, Lin; Yang, Ming-Hua; Luo, Jun; Zhang, Can; Sun, Hong-Bin; Luo, Jian-Guang; Kong, Ling-Yi","Rhodomyrtials A and B, Two Meroterpenoids with a Triketone-Sesquiterpene-Triketone Skeleton from Rhodomyrtus tomentosa: Structural Elucidation and Biomimetic Synthesis.","Organic letters","2016","18","16","4068","4071","10.1021/acs.orglett.6b01944","","","1.54184","CuKα","","0.0447","0.0425","","","0.1176","0.1206","","","","","","1.025","","","","has coordinates","239001","2020-10-21","18:00:00",""
"1555677","6.7657","0.0002","12.1602","0.0003","16.0507","0.0004","90","","90","","90","","1320.53","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Mondal, Mukulesh; Wheeler, Kraig A.; Kerrigan, Nessan J.","Alkaloid-Catalyzed Enantioselective [3 + 2] Cycloaddition of Ketenes and Azomethine Imines.","Organic letters","2016","18","16","4108","4111","10.1021/acs.orglett.6b02038","","","1.54178","CuKα","","0.0275","0.0261","","","0.0692","0.0702","","","","","","1.054","","","","has coordinates","239007","2020-10-21","18:00:00",""
"1555678","6.7037","0.0002","8.7886","0.0002","21.923","0.0007","90","","90","","90","","1291.62","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","","Mondal, Mukulesh; Wheeler, Kraig A.; Kerrigan, Nessan J.","Alkaloid-Catalyzed Enantioselective [3 + 2] Cycloaddition of Ketenes and Azomethine Imines.","Organic letters","2016","18","16","4108","4111","10.1021/acs.orglett.6b02038","","","1.54178","CuKα","","0.0294","0.0282","","","0.0713","0.072","","","","","","1.076","","","","has coordinates","239008","2020-10-21","18:00:00",""
"1555687","7.4804","0.00011","10.4902","0.00019","18.4048","0.0003","90","","90","","90","","1444.24","0.04","294.1","0.5","294.1","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Ma, Donghui; Zhong, Zhuliang; Liu, Zaimin; Zhang, Mingjie; Xu, Shiyan; Xu, Dengyu; Song, Dengpeng; Xie, Xingang; She, Xuegong","Protecting-Group-Free Total Synthesis of (-)-Lycopodine via Phosphoric Acid Promoted Alkyne Aza-Prins Cyclization.","Organic letters","2016","18","17","4328","4331","10.1021/acs.orglett.6b02072","","x-ray","1.54184","CuKα","","0.0522","0.0513","","","0.1299","0.1317","","","","","","1.107","","","","has coordinates","239017","2020-10-21","18:00:00",""
"1555688","10.9468","0.0004","13.1316","0.0005","19.8805","0.0008","90","","90","","90","","2857.8","0.19","296.71","0.1","296.71","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","2","","Ma, Donghui; Zhong, Zhuliang; Liu, Zaimin; Zhang, Mingjie; Xu, Shiyan; Xu, Dengyu; Song, Dengpeng; Xie, Xingang; She, Xuegong","Protecting-Group-Free Total Synthesis of (-)-Lycopodine via Phosphoric Acid Promoted Alkyne Aza-Prins Cyclization.","Organic letters","2016","18","17","4328","4331","10.1021/acs.orglett.6b02072","","x-ray","1.54184","CuKα","","0.0442","0.0395","","","0.0987","0.1037","","","","","","1.056","","","","has coordinates","239018","2020-10-21","18:00:00",""
"1555695","8.4147","0.0007","9.8374","0.001","20.9238","0.0019","90","","90","","90","","1732","0.3","290.53","0.1","290.53","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Cl O3 -","- C19 H19 Cl O3 -","- C76 H76 Cl4 O12 -","4","1","","Su, Yan; Li, Qing-Fang; Zhao, Yu-Ming; Gu, Peiming","Preparation of Optically Active cis-Cyclopropane Carboxylates: Cyclopropanation of α-Silyl Stryenes with Aryldiazoacetates and Desilylation of the Resulting Silyl Cyclopropanes.","Organic letters","2016","18","17","4356","4359","10.1021/acs.orglett.6b02117","","x-ray","0.71073","MoKα","","0.0878","0.0586","","","0.1244","0.1599","","","","","","1.096","","","","has coordinates","239025","2020-10-21","18:00:00",""
"1555696","8.9734","0.0005","9.5887","0.0008","24.3831","0.0016","90","","90","","90","","2098","0.3","294.29","0.1","294.29","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br O2 Si -","- C21 H25 Br O2 Si -","- C84 H100 Br4 O8 Si4 -","4","1","","Su, Yan; Li, Qing-Fang; Zhao, Yu-Ming; Gu, Peiming","Preparation of Optically Active cis-Cyclopropane Carboxylates: Cyclopropanation of α-Silyl Stryenes with Aryldiazoacetates and Desilylation of the Resulting Silyl Cyclopropanes.","Organic letters","2016","18","17","4356","4359","10.1021/acs.orglett.6b02117","","","0.71073","MoKα","","0.0939","0.055","","","0.0975","0.1135","","","","","","1.051","","","","has coordinates","239026","2020-10-21","18:00:00",""
"1555700","10.3757","0.0002","11.5557","0.0002","24.7257","0.0004","90","","90","","90","","2964.57","0.09","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 N2 O10 P S -","- C23 H43 N2 O10 P S -","- C92 H172 N8 O40 P4 S4 -","4","1","","Lin, Long-Zhi; Fang, Jim-Min","Total Synthesis of Anti-Influenza Agents Zanamivir and Zanaphosphor via Asymmetric Aza-Henry Reaction.","Organic letters","2016","18","17","4400","4403","10.1021/acs.orglett.6b02131","","","1.54178","CuKα","","0.062","0.0525","","","0.1386","0.1507","","","","","","1.027","","","","has coordinates","239031","2020-10-21","18:00:00",""
"1555701","10.1789","0.0003","11.9132","0.0004","18.0755","0.0007","90","","90","","90","","2191.89","0.13","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 N2 O7 S -","- C16 H30 N2 O7 S -","- C64 H120 N8 O28 S4 -","4","1","","Lin, Long-Zhi; Fang, Jim-Min","Total Synthesis of Anti-Influenza Agents Zanamivir and Zanaphosphor via Asymmetric Aza-Henry Reaction.","Organic letters","2016","18","17","4400","4403","10.1021/acs.orglett.6b02131","","","1.54178","CuKα","","0.0605","0.0497","","","0.1257","0.136","","","","","","1.021","","","","has coordinates","239032","2020-10-21","18:00:00",""
"1555702","10.2553","0.0004","11.3826","0.0004","23.6017","0.0009","90","","90","","90","","2755.07","0.18","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 N2 O9 S -","- C22 H38 N2 O9 S -","- C88 H152 N8 O36 S4 -","4","1","","Lin, Long-Zhi; Fang, Jim-Min","Total Synthesis of Anti-Influenza Agents Zanamivir and Zanaphosphor via Asymmetric Aza-Henry Reaction.","Organic letters","2016","18","17","4400","4403","10.1021/acs.orglett.6b02131","","","1.54178","CuKα","","0.063","0.0476","","","0.115","0.1286","","","","","","1.009","","","","has coordinates","239033","2020-10-21","18:00:00",""
"1555703","8.5903","0.0001","9.1195","0.0001","17.5588","0.0002","90","","90","","90","","1375.54","0.03","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng","Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum.","Organic letters","2016","18","17","4376","4379","10.1021/acs.orglett.6b02132","","","1.54178","CuKα","","0.0518","0.0482","","","0.1399","0.1489","","","","","","1.08","","","","has coordinates","239034","2020-10-21","18:00:00",""
"1555704","8.7114","0.0002","9.1691","0.0002","16.9047","0.0005","90","","90","","90","","1350.27","0.06","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng","Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum.","Organic letters","2016","18","17","4376","4379","10.1021/acs.orglett.6b02132","","","1.54178","CuKα","","0.0349","0.0343","","","0.092","0.0925","","","","","","1.051","","","","has coordinates","239035","2020-10-21","18:00:00",""
"1555705","7.8847","0.0004","12.731","0.0006","13.5189","0.0007","90","","90","","90","","1357.03","0.12","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng","Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum.","Organic letters","2016","18","17","4376","4379","10.1021/acs.orglett.6b02132","","","1.54178","CuKα","","0.034","0.0327","","","0.0875","0.0885","","","","","","1.039","","","","has coordinates","239036","2020-10-21","18:00:00",""
"1555706","8.7313","0.0001","10.0431","0.0001","14.6801","0.0002","90","","90","","90","","1287.29","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Tang, Yu; Xiong, Juan; Zhang, Jing-Jing; Wang, Wei; Zhang, Hai-Yan; Hu, Jin-Feng","Annotinolides A-C, Three Lycopodane-Derived 8,5-Lactones with Polycyclic Skeletons from Lycopodium annotinum.","Organic letters","2016","18","17","4376","4379","10.1021/acs.orglett.6b02132","","","1.54178","CuKα","","0.0351","0.0347","","","0.0879","0.0885","","","","","","1.102","","","","has coordinates","239037","2020-10-21","18:00:00",""
"1555711","3.8804","0.0007","7.5188","0.0014","43.727","0.009","90","","90","","90","","1275.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H7 Br N2 O4 -","- C14 H7 Br N2 O4 -","- C56 H28 Br4 N8 O16 -","4","1","","Verma, Ajay; Kumar, Sangit","Selective Oxidative Decarbonylative Cleavage of Unstrained C(sp(3))-C(sp(2)) Bond: Synthesis of Substituted Benzoxazinones.","Organic letters","2016","18","17","4388","4391","10.1021/acs.orglett.6b02142","","x-ray","0.71073","MoKα","","0.098","0.0494","","","0.0638","0.0712","","","","","","1.013","","","","has coordinates","239042","2020-10-21","18:00:00",""
"1555720","6.9086","0.0004","13.0711","0.0008","29.2663","0.0018","90","","90","","90","","2642.8","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29.64 H34.56 O10.36 -","- C29.64 H34.56 O10.36 -","- C118.56 H138.24 O41.44 -","4","1","","Zhou, Ming; Liu, Ye; Song, Jian; Peng, Xiao-Gang; Cheng, Qi; Cao, Hui; Xiang, Ming; Ruan, Han-Li","Schincalide A, a Schinortriterpenoid with a Tricyclo[5.2.1.0(1,6)]decane-Bridged System from the Stems and Leaves of Schisandra incarnate.","Organic letters","2016","18","18","4558","4561","10.1021/acs.orglett.6b02197","","","1.54178","CuKα","","0.0662","0.0636","","","0.1807","0.1826","","","","","","1.116","","","","has coordinates,has disorder","239051","2020-10-21","18:00:00",""
"1555725","7.3458","0.0002","11.9086","0.0003","21.862","0.0006","90","","90","","90","","1912.45","0.09","295.6","0.3","295.6","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H16 F N O -","- C27 H16 F N O -","- C108 H64 F4 N4 O4 -","4","1","","Cai, Zhong-Jian; Li, Fang-Hui; Wang, Shun-Yi; Ji, Shun-Jun","Palladium-Catalyzed Cascade Arene/Alkyne Annulation: Synthesis of Fluorene-Benzoxazine Derivatives.","Organic letters","2016","18","19","4810","4813","10.1021/acs.orglett.6b02224","","","1.54184","CuKα","","0.0586","0.0505","","","0.1457","0.1552","","","","","","1.116","","","","has coordinates","239056","2020-10-21","18:00:00",""
"1555741","8.5731","0.0005","9.2969","0.0004","17.1079","0.0007","90","","90","","90","","1363.56","0.11","294.23","0.1","294.23","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C60 H92 N4 O12 -","4","1","","Xu, Shiyan; Zhang, Jing; Ma, Donghui; Xu, Dengyu; Xie, Xingang; She, Xuegong","Asymmetric Total Synthesis of (-)-Lycospidine A.","Organic letters","2016","18","18","4682","4685","10.1021/acs.orglett.6b02322","","x-ray","0.71073","MoKα","","0.0722","0.0532","","","0.0978","0.1118","","","","","","1.089","","","","has coordinates","239072","2020-10-21","18:00:00",""
"1555747","8.4444","0.0003","10.0554","0.0004","18.0941","0.0007","90","","90","","90","","1536.4","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Garcia, Alfredo; Drown, Bryon S.; Hergenrother, Paul J.","Access to a Structurally Complex Compound Collection via Ring Distortion of the Alkaloid Sinomenine.","Organic letters","2016","18","19","4852","4855","10.1021/acs.orglett.6b02333","","","1.54178","CuKα","","0.0268","0.0261","","","0.0647","0.0653","","","","","","1.104","","","","has coordinates","239078","2020-10-21","18:00:00",""
"1555751","10.8104","0.0003","11.1726","0.0003","21.1349","0.0005","90","","90","","90","","2552.68","0.12","288","2","288","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 Cl3 N2 O3 S -","- C23 H29 Cl3 N2 O3 S -","- C92 H116 Cl12 N8 O12 S4 -","4","1","","Zhang, Juan; Chen, Zhi-Xiong; Du, Ting; Li, Bing; Gu, Yonghong; Tian, Shi-Kai","Aryne-Mediated [2,3]-Sigmatropic Rearrangement of Tertiary Allylic Amines.","Organic letters","2016","18","19","4872","4875","10.1021/acs.orglett.6b02344","","","1.54184","CuKα","","0.0815","0.0771","","","0.1938","0.1985","","","","","","1.06","","","","has coordinates","239081","2020-10-21","18:00:00",""
"1555756","6.9578","0.0015","11.041","0.002","24.685","0.005","90","","90","","90","","1896.3","0.7","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","froywh05","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","1","","Huang, Yu-Wen; Frontier, Alison J.","Nazarov Cyclization/Internal Redox Cyclization Sequence for the Synthesis of N-Heterocyclic Bridged Ring Systems.","Organic letters","2016","18","19","4896","4899","10.1021/acs.orglett.6b02369","","","0.71073","MoKα","","0.1409","0.0644","","","0.1154","0.1444","","","","","","0.993","","","","has coordinates","239086","2020-10-21","18:00:00",""
"1555767","5.3836","0.0003","31.775","0.002","9.5511","0.0006","90","","90","","90","","1633.85","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Lynch, Denis; Deasy, Rebecca E.; Clarke, Leslie-Ann; Slattery, Catherine N.; Khandavilli, U. B. Rao; Lawrence, Simon E.; Maguire, Anita R.; Magnus, Nicholas A.; Moynihan, Humphrey A.","Exploring the Scope of Asymmetric Synthesis of β-Hydroxy-γ-lactams via Noyori-type Reductions.","Organic letters","2016","18","19","4978","4981","10.1021/acs.orglett.6b02416","","","1.54178","CuKα","","0.087","0.0826","","","0.2296","0.2324","","","","","","1.087","","","","has coordinates","239097","2020-10-21","18:00:00",""
"1555775","5.961","0.005","7.819","0.007","20.316","0.018","90","","90","","90","","946.9","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(E)-1-(1-Chloro-2-nitrovinyl)-4-methylbenzene","","","- C9 H8 Cl N O2 -","- C9 H8 Cl N O2 -","- C36 H32 Cl4 N4 O8 -","4","1","","Gao, Mingchun; Xu, Bin","Copper Nitrate Mediated Regio- and Stereoselective Difunctionalization of Alkynes: A Direct Approach to α-Chloro-β-nitroolefins.","Organic letters","2016","18","18","4746","4749","10.1021/acs.orglett.6b02464","","","0.71073","MoKα","","0.0484","0.0391","","","0.1074","0.1143","","","","","","1.06","","","","has coordinates","239105","2020-10-21","18:00:00",""
"1555776","6.758","0.005","8.245","0.006","18.741","0.015","90","","90","","90","","1044.2","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Z)-1-Methyl-4-(2-nitro-1-thiocyanatovinyl)benzene","","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C40 H32 N8 O8 S4 -","4","1","","Gao, Mingchun; Xu, Bin","Copper Nitrate Mediated Regio- and Stereoselective Difunctionalization of Alkynes: A Direct Approach to α-Chloro-β-nitroolefins.","Organic letters","2016","18","18","4746","4749","10.1021/acs.orglett.6b02464","","","0.71073","MoKα","","0.0433","0.0329","","","0.0767","0.083","","","","","","1.071","","","","has coordinates","239106","2020-10-21","18:00:00",""
"1555778","12.151","0.002","23.564","0.005","5.864","0.0012","90","","90","","90","","1679","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Li, Jingfu; Chang, Wenju; Ren, Wenlong; Dai, Jie; Shi, Yian","Palladium-Catalyzed Highly Regio- and Enantioselective Hydroesterification of Aryl Olefins with Phenyl Formate.","Organic letters","2016","18","21","5456","5459","10.1021/acs.orglett.6b02467","","","0.71073","MoKα","","0.1316","0.0635","","","0.1199","0.147","","","","","","1.006","","","","has coordinates","239108","2020-10-21","18:00:00",""
"1555800","7.2723","0.001","12.1743","0.0016","13.9939","0.0018","90","","90","","90","","1239","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Jia, Feng-Cheng; Xu, Cheng; Zhou, Zhi-Wen; Cai, Qun; Wu, Yan-Dong; Wu, An-Xin","Substrates as Electron-Donor Precursors: Synthesis of Naphtho-Fused Oxindoles via Benzannulation of 2-Halobenzaldehydes and Indolin-2-ones.","Organic letters","2016","18","20","5232","5235","10.1021/acs.orglett.6b02515","","","0.71073","MoKα","","0.0485","0.0425","","","0.1173","0.1235","","","","","","1.058","","","","has coordinates","239131","2020-10-21","18:00:00",""
"1555801","8.2974","0.0004","13.684","0.0006","15.775","0.0008","90","","90","","90","","1791.12","0.15","290.83","0.1","290.83","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br O2 -","- C21 H17 Br O2 -","- C84 H68 Br4 O8 -","4","1","","Chen, Tao; Li, Yi-Fan; An, Yang; Zhang, Fu-Min","Iron-Catalyzed α-Arylation of Deoxybenzoins with Arenes through an Oxidative Dehydrogenative Approach.","Organic letters","2016","18","18","4754","4757","10.1021/acs.orglett.6b02516","","x-ray","0.71073","MoKα","","0.0827","0.0464","","","0.0774","0.09","","","","","","1.031","","","","has coordinates","239132","2020-10-21","18:00:00",""
"1555808","5.86821","0.00012","16.6995","0.0003","20.8172","0.0005","90","","90","","90","","2040.01","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 F N2 O3 -","- C24 H19 F N2 O3 -","- C96 H76 F4 N8 O12 -","4","1","","Guo, Songsong; Liu, Xiaohua; Shen, Bin; Lin, Lili; Feng, Xiaoming","Organocatalytic Asymmetric Cascade Reaction of 2-Hydroxyphenyl-Substituted Enones and Isocyanates To Construct 1,3-Benzoxazin-2-ones.","Organic letters","2016","18","19","5070","5073","10.1021/acs.orglett.6b02522","","x-ray","1.54184","CuKα","","0.0553","0.0503","","","0.1358","0.1434","","","","","","1.039","","","","has coordinates","239136","2020-10-21","18:00:00",""
"1555817","6.86","0.001","10.8272","0.0016","22.448","0.003","90","","90","","90","","1667.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C76 H60 Br4 O16 -","4","1","","Zhang, Ming-Liang; Wu, Zhi-Jun; Zhao, Jian-Qiang; Luo, Yuan; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Michael Addition-Lactonization of Arylacetyl Phosphonate to β,γ-Unsaturated α-Keto Esters for the Synthesis of Chiral syn-3,4-Dihydropyranones and 5,6-Dihydropyranones.","Organic letters","2016","18","19","5110","5113","10.1021/acs.orglett.6b02558","","","0.71073","MoKα","","0.0381","0.0286","","","0.0585","0.061","","","","","","1.013","","","","has coordinates","239145","2020-10-21","18:00:00",""
"1555819","7.48","0.002","16.779","0.004","19.319","0.005","90","","90","","90","","2424.7","1.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 O2 P Se -","- C30 H25 O2 P Se -","- C120 H100 O8 P4 Se4 -","4","1","","Maekawa, Yuuki; Maruyama, Toshifumi; Murai, Toshiaki","Sequential Deprotonation-Alkylation of Binaphthyloxy-Substituted Phosphonochalcogenoates: Chiral Tri- and Tetrasubstituted Carbon Centers Adjacent to a Phosphorus Atom.","Organic letters","2016","18","20","5264","5267","10.1021/acs.orglett.6b02578","","","0.71075","MoKα","","0.1112","0.0665","","","0.1068","0.1273","","","","","","1.035","","","","has coordinates","239147","2020-10-21","18:00:00",""
"1555820","11.8545","0.0012","15.6874","0.0016","16.0313","0.0017","90","","90","","90","","2981.3","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H27 O4 P Se -","- C36 H29 O3 P Se -","- C144 H116 O12 P4 Se4 -","4","1","","Maekawa, Yuuki; Maruyama, Toshifumi; Murai, Toshiaki","Sequential Deprotonation-Alkylation of Binaphthyloxy-Substituted Phosphonochalcogenoates: Chiral Tri- and Tetrasubstituted Carbon Centers Adjacent to a Phosphorus Atom.","Organic letters","2016","18","20","5264","5267","10.1021/acs.orglett.6b02578","","","0.71075","MoKα","","0.0528","0.0483","","","0.1355","0.1407","","","","","","1.03","","","","has coordinates","239148","2020-10-21","18:00:00",""
"1555838","7.61287","0.0001","18.37433","0.0002","18.9503","0.0002","90","","90","","90","","2650.79","0.05","99.8","0.2","99.8","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Cl N2 O3 -","- C34 H33 Cl N2 O3 -","- C136 H132 Cl4 N8 O12 -","4","1","","Dwight, Stephen J.; Levin, Sergiy","Scalable Regioselective Synthesis of Rhodamine Dyes.","Organic letters","2016","18","20","5316","5319","10.1021/acs.orglett.6b02635","","x-ray","1.54184","CuKα","","0.0638","0.0616","","","0.1543","0.1575","","","","","","1.055","","","","has coordinates","239166","2020-10-21","18:00:00",""
"1555859","12.2019","0.0001","15.5905","0.0001","21.6362","0.0001","90","","90","","90","","4115.93","0.05","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Br N2 O4 -","- C21 H23 Br N2 O4 -","- C168 H184 Br8 N16 O32 -","8","2","","Lamb, Alan D.; Davey, Peter D.; Driver, Russell W.; Thompson, Amber L.; Smith, Martin D.","Enantioselective Synthesis of 4- and 6-Azaindolines by a Cation-Directed Cyclization.","Organic letters","2016","18","20","5372","5375","10.1021/acs.orglett.6b02744","","","1.5418","CuKα","","0.0212","0.0205","","0.0513","0.0509","0.0513","","","","","","1.0028","","","","has coordinates,has disorder","239184","2020-10-21","18:00:00",""
"1555867","8.072","0.004","12.922","0.006","15.704","0.007","90","","90","","90","","1638","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O2 S -","- C17 H18 Cl N O2 S -","- C68 H72 Cl4 N4 O8 S4 -","4","1","","Song, Guangjun; Zheng, Ziwei; Wang, Yanhui; Yu, Xinhong","Pd-Catalyzed Site-Selective p-Hydroxyphenyloxylation of Benzylic α-C(sp<sup>3</sup>)-H Bonds with 1,4-Benzoquinone.","Organic letters","2016","18","23","6002","6005","10.1021/acs.orglett.6b02782","","","0.71073","MoKα","","0.1663","0.0816","","","0.1546","0.1816","","","","","","0.957","","","","has coordinates","239192","2020-10-21","18:00:00",""
"1555869","6.01931","0.00018","16.3547","0.0007","19.4786","0.0006","90","","90","","90","","1917.55","0.12","292.3","0.2","292.3","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl N O2 -","- C22 H21 Cl N O2 -","- C88 H84 Cl4 N4 O8 -","4","1","","Guo, Jing; Lin, Lili; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-Catalyzed Enantioselective α-Vinylation of β-Keto Amides/Esters with Hypervalent Iodine Salts.","Organic letters","2016","18","21","5540","5543","10.1021/acs.orglett.6b02785","","x-ray","0.71073","MoKα","","0.0559","0.0475","","","0.1245","0.1335","","","","","","1.054","","","","has coordinates","239194","2020-10-21","18:00:00",""
"1555882","8.5631","0.00008","11.52249","0.00011","13.97167","0.00011","90","","90","","90","","1378.56","0.02","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Cao, Yang; Zhang, Xiang; Lin, Guangyu; Zhang-Negrerie, Daisy; Du, Yunfei","Chiral Aryliodine-Mediated Enantioselective Organocatalytic Spirocyclization: Synthesis of Spirofurooxindoles via Cascade Oxidative C-O and C-C Bond Formation.","Organic letters","2016","18","21","5580","5583","10.1021/acs.orglett.6b02816","","","1.54184","CuKα","","0.0298","0.0293","","","0.0834","0.0839","","","","","","1.027","","","","has coordinates","239207","2020-10-21","18:00:00",""
"1555884","6.9549","0.0001","10.5071","0.0002","12.9403","0.0002","90","","90","","90","","945.62","0.03","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","","Rastelli, Ettore J.; Truong, Ngoc T.; Coltart, Don M.","Asymmetric Induction in Hydroacylation by Cooperative Iminium Ion-Transition-Metal Catalysis.","Organic letters","2016","18","21","5588","5591","10.1021/acs.orglett.6b02825","","","1.54178","CuKα","","0.0259","0.0256","","","0.0704","0.0711","","","","","","1.058","","","","has coordinates","239209","2020-10-21","18:00:00",""
"1555895","6.4113","0.0002","10.0776","0.0003","20.2079","0.0007","90","","90","","90","","1305.64","0.07","250","1","250","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O3 S -","- C16 H12 O3 S -","- C64 H48 O12 S4 -","4","1","","Vila, Carlos; Quintero, Lucia; Blay, Gonzalo; Muñoz, M Carmen; Pedro, José R","Organocatalytic Enantioselective Synthesis of α-Hydroxyketones through a Friedel-Crafts Reaction of Naphthols and Activated Phenols with Aryl- and Alkylglyoxal Hydrates.","Organic letters","2016","18","21","5652","5655","10.1021/acs.orglett.6b02893","","","0.71073","MoKα","","0.0447","0.0356","","","0.0885","0.0967","","","","","","0.92","","","","has coordinates","239220","2020-10-21","18:00:00",""
"1555897","8.4273","0.0008","9.8386","0.0009","22.562","0.002","90","","90","","90","","1870.7","0.3","213","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 F2 N O -","- C24 H17 F2 N O -","- C96 H68 F8 N4 O4 -","4","1","","Fujino, Takumi; Hinoue, Tomoaki; Usuki, Yoshinosuke; Satoh, Tetsuya","Synthesis of Difluorinated Enynes through Sonogashira-Type Coupling.","Organic letters","2016","18","21","5688","5691","10.1021/acs.orglett.6b02919","","","0.71075","MoKα","","0.0446","0.0391","","","0.1056","0.1098","","","","","","1.075","","","","has coordinates","239222","2020-10-21","18:00:00",""
"1555924","5.8422","0.0005","10.2343","0.0009","19.63","0.0017","90","","90","","90","","1173.69","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Choi, Chulho; Nuhant, Philippe; Mousseau, James J.; Yang, Xiaojing; Gerstenberger, Brian S.; Williams, Jessica M.; Wright, Stephen W.","Synthesis of Chiral Azabicycles from Pyroglutaminols.","Organic letters","2016","18","21","5748","5751","10.1021/acs.orglett.6b03024","","","1.54178","CuKα","","0.031","0.0297","","","0.085","0.0863","","","","","","1.032","","","","has coordinates","239249","2020-10-21","18:00:00",""
"1555937","8.8021","0.0004","9.9889","0.0005","32.4893","0.0017","90","","90","","90","","2856.6","0.2","292.35","0.1","292.35","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 Cl N O6 -","- C33 H28 Cl N O6 -","- C132 H112 Cl4 N4 O24 -","4","1","","Xiao, Yu; Lin, Jun-Bing; Zhao, Yin-Na; Liu, Jin-Yu; Xu, Peng-Fei","Exploring the Reactivity of Nitro-Activated 1,3-Enynes in an Organocatalytic One-Pot, Three-Component Coupling Reaction: A Tandem Catalytic Approach to a Novel 3-Nitrochroman Scaffold.","Organic letters","2016","18","24","6276","6279","10.1021/acs.orglett.6b03073","","x-ray","0.71073","MoKα","","0.0914","0.0584","","","0.1008","0.1205","","","","","","1.088","","","","has coordinates","239258","2020-10-21","18:00:00",""
"1555941","6.3597","0.0002","8.5694","0.0002","22.6596","0.0005","90","","90","","90","","1234.92","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Nelson, Jr, Shawn D; Wawer, Mathias J.; Schreiber, Stuart L.","Divergent Synthesis and Real-Time Biological Annotation of Optically Active Tetrahydrocyclopenta[c]pyranone Derivatives.","Organic letters","2016","18","24","6280","6283","10.1021/acs.orglett.6b03118","","","1.54178","CuKα","","0.0296","0.0296","","","0.0772","0.0772","","","","","","1.062","","","","has coordinates","239262","2020-10-21","18:00:00",""
"1555944","16.4591","0.0019","7.2887","0.0018","14.371","0.002","90","","90","0.003","90","","1724","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Mahdjour, Soumicha; Harche-Kaid, Meriem; Haidour, Alí; Chahboun, Rachid; Alvarez-Manzaneda, Enrique","Short Route to Cassane-Type Diterpenoids: Synthesis of the Supposed Structure of Benthaminin 1.","Organic letters","2016","18","22","5964","5967","10.1021/acs.orglett.6b03121","","","1.5405","CuKα","","0.0299","0.0274","","","0.068","0.0698","","","","","","1.078","","","","has coordinates","239265","2020-10-21","18:00:00",""
"1555947","7.4778","0.00004","9.96312","0.00006","24.19049","0.00016","90","","90","","90","","1802.24","0.019","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","","Liu, Shao-Nan; Huang, Dane; Morris-Natschke, Susan L; Ma, Hang; Liu, Zhi-Hong; Seeram, Navindra P.; Xu, Jun; Lee, Kuo-Hsiung; Gu, Qiong","Euphomilones A and B, ent-Rosane Diterpenoids with 7/5/6 and 5/7/6 Skeletons from Euphorbia milii.","Organic letters","2016","18","23","6132","6135","10.1021/acs.orglett.6b03142","","x-ray","1.54184","CuKα","","0.0334","0.0331","","","0.0889","0.0891","","","","","","1.066","","","","has coordinates","239268","2020-10-21","18:00:00",""
"1555955","8.7518","0.0002","8.9722","0.0002","13.5378","0.0003","90","","90","","90","","1063.03","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O -","- C13 H15 Cl O -","- C52 H60 Cl4 O4 -","4","1","","Han, Yixin; Breitler, Simon; Zheng, Shao-Liang; Corey, E. J.","Enantioselective Conversion of Achiral Cyclohexadienones to Chiral Cyclohexenones by Desymmetrization.","Organic letters","2016","18","23","6172","6175","10.1021/acs.orglett.6b03186","","","1.54178","CuKα","","0.0201","0.0201","","","0.0523","0.0524","","","","","","1.089","","","","has coordinates","239276","2020-10-21","18:00:00",""
"1555965","5.9076","0.0004","8.2748","0.0006","28.655","0.004","90","","90","","90","","1400.8","0.2","99.9","0.3","99.9","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Kusy, Rafał; Grela, Karol","E- and Z-Selective Transfer Semihydrogenation of Alkynes Catalyzed by Standard Ruthenium Olefin Metathesis Catalysts.","Organic letters","2016","18","23","6196","6199","10.1021/acs.orglett.6b03254","","","1.54184","CuKα","","0.0545","0.0467","","","0.1207","0.1263","","","","","","1.027","","","","has coordinates","239286","2020-10-21","18:00:00",""
"1555970","7.1278","0.0005","11.0317","0.0007","24.0691","0.0017","90","","90","","90","","1892.6","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N -","- C23 H31 N -","- C92 H124 N4 -","4","1","","Dethe, Dattatraya H.; Sau, Susanta Kumar; Mahapatra, Samarpita","Biomimetic Enantioselective Total Synthesis of (-)-Mycoleptodiscin A.","Organic letters","2016","18","24","6392","6395","10.1021/acs.orglett.6b03292","","","0.71073","MoKα","","0.1186","0.0599","","","0.0899","0.1037","","","","","","1.014","","","","has coordinates","239291","2020-10-21","18:00:00",""
"1555977","7.2192","0.0009","12.2678","0.0016","27.633","0.003","90","","90","","90","","2447.3","0.5","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 -","- C34 H34 -","- C136 H136 -","4","1","","Li, Jen-Yi; Chang, Hung-Ing; Feng, Chieh-Ning; Wu, Yao-Ting","Rotation of Aryl Groups in 9,10-Diarylphenanthrenes: Does the Rotational Barrier Become Lower as the Backbone Becomes More Crowded?","Organic letters","2016","18","24","6444","6447","10.1021/acs.orglett.6b03343","","","0.71073","MoKα","","0.0808","0.0683","","","0.1853","0.1947","","","","","","1.052","","","","has coordinates","239298","2020-10-21","18:00:00",""
"1555984","10.8033","0.0003","12.0109","0.0004","17.2824","0.0007","90","","90","","90","","2242.52","0.13","293.51","0.1","293.51","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Br N O2 -","- C28 H24 Br N O2 -","- C112 H96 Br4 N4 O8 -","4","1","","Shi, Ming-Lin; Zhan, Gu; Zhou, Su-Lan; Du, Wei; Chen, Ying-Chun","Asymmetric Inverse-Electron-Demand Oxa-Diels-Alder Reaction of Allylic Ketones through Dienamine Catalysis.","Organic letters","2016","18","24","6480","6483","10.1021/acs.orglett.6b03384","","x-ray","1.54184","CuKα","","0.0524","0.0505","","","0.1339","0.1376","","","","","","1.034","","","","has coordinates","239305","2020-10-21","18:00:00",""
"1555985","7.8152","0.0009","12.0816","0.0013","21.667","0.002","90","","90","","90","","2045.8","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","","Wu, Xing-De; Luo, Dan; Tu, Wen-Chao; Deng, Zhen-Tao; Chen, Xue-Jiao; Su, Jia; Ji, Xu; Zhao, Qin-Shi","Hypophyllins A-D, Labdane-Type Diterpenoids with Vasorelaxant Activity from Hypoestes phyllostachya ""Rosea"".","Organic letters","2016","18","24","6484","6487","10.1021/acs.orglett.6b03388","","","1.54178","CuKα","","0.0563","0.0388","","","0.1044","0.1406","","","","","","1.161","","","","has coordinates","239306","2020-10-21","18:00:00",""
"1555986","9.478","0.0014","9.5117","0.0013","21.743","0.003","90","","90","","90","","1960.2","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O6 -","- C21 H28 O6 -","- C84 H112 O24 -","4","1","","Wu, Xing-De; Luo, Dan; Tu, Wen-Chao; Deng, Zhen-Tao; Chen, Xue-Jiao; Su, Jia; Ji, Xu; Zhao, Qin-Shi","Hypophyllins A-D, Labdane-Type Diterpenoids with Vasorelaxant Activity from Hypoestes phyllostachya ""Rosea"".","Organic letters","2016","18","24","6484","6487","10.1021/acs.orglett.6b03388","","","1.54178","CuKα","","0.0318","0.0315","","","0.083","0.0837","","","","","","1.065","","","","has coordinates","239307","2020-10-21","18:00:00",""
"1555987","6.62","0.0004","10.9943","0.0007","27.0538","0.0018","90","","90","","90","","1969","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","1","","Wu, Xing-De; Luo, Dan; Tu, Wen-Chao; Deng, Zhen-Tao; Chen, Xue-Jiao; Su, Jia; Ji, Xu; Zhao, Qin-Shi","Hypophyllins A-D, Labdane-Type Diterpenoids with Vasorelaxant Activity from Hypoestes phyllostachya ""Rosea"".","Organic letters","2016","18","24","6484","6487","10.1021/acs.orglett.6b03388","","","1.54178","CuKα","","0.1392","0.1383","","","0.3486","0.3516","","","","","","1.746","","","","has coordinates","239308","2020-10-21","18:00:00",""
"1555994","10.5667","0.0019","11.1762","0.0016","18.221","0.003","90","","90","","90","","2151.8","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Br N O2 Si -","- C19 H27 Br N O2 Si -","- C76 H108 Br4 N4 O8 Si4 -","4","1","","Alicea-Matías, Eyleen; Soderquist, John A.","Asymmetric Propargylboration of Aldimines and Ketimines with the Borabicyclo[3.3.2]decanes: Novel Entries to Allenyl Carbinamines, Amino Acids, and Their α-Methyl Counterparts.","Organic letters","2017","19","2","336","339","10.1021/acs.orglett.6b03506","","","0.71073","MoKα","","0.0733","0.0576","","","0.1424","0.1507","","","","","","1.021","","","","has coordinates","239315","2020-10-21","18:00:00",""
"1556019","8.4334","0.0007","9.1934","0.0008","16.9142","0.0015","90","","90","","90","","1311.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 3b","compound 3b","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Jin, Yushu; Chen, Ming; Ge, Shaozhong; Hartwig, John F.","Palladium-Catalyzed, Enantioselective α-Arylation of α-Fluorooxindoles.","Organic letters","2017","19","6","1390","1393","10.1021/acs.orglett.7b00294","","","1.54178","CuKα","","0.0444","0.041","","","0.1012","0.1045","","","","","","1.133","","","","has coordinates","239341","2020-10-21","18:00:00",""
"1556032","7.4865","0.0001","10.7242","0.0002","32.3467","0.0004","90","","90","","90","","2597.01","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","anti-(3R,1'R)-3-(alpha-hydroxybenzyl)-1,1- dioxo-1,2-benzothiazolidine","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C112 H104 N8 O24 S8 -","8","2","","Jeran, Marko; Cotman, Andrej Emanuel; Stephan, Michel; Mohar, Barbara","Stereopure Functionalized Benzosultams via Ruthenium(II)-Catalyzed Dynamic Kinetic Resolution-Asymmetric Transfer Hydrogenation.","Organic letters","2017","19","8","2042","2045","10.1021/acs.orglett.7b00670","","","0.71073","MoKα","","0.0519","0.0439","","","0.1134","0.1196","","","","","","1.18","","","","has coordinates","239353","2020-10-21","18:00:00",""
"1556033","9.4952","0.0003","13.78766","0.00017","23.3234","0.0004","90","","90","","90","","3053.42","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cis-(3R,4R)-4-hydroxy-3-phenyl-1,1-dioxo- 2H-1,2-benzothiazinane","","- C14 H12 N O3 S -","- C14 H12 N O3 S -","- C112 H96 N8 O24 S8 -","8","2","","Jeran, Marko; Cotman, Andrej Emanuel; Stephan, Michel; Mohar, Barbara","Stereopure Functionalized Benzosultams via Ruthenium(II)-Catalyzed Dynamic Kinetic Resolution-Asymmetric Transfer Hydrogenation.","Organic letters","2017","19","8","2042","2045","10.1021/acs.orglett.7b00670","","","1.54184","CuKα","","0.0423","0.0403","","","0.1083","0.1107","","","","","","1.035","","","","has coordinates","239354","2020-10-21","18:00:00",""
"1556038","9.47","0.0019","15.075","0.003","17.824","0.004","90","","90","","90","","2544.6","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O4 Si -","- C26 H34 O4 Si -","- C104 H136 O16 Si4 -","4","1","","Han, Man-Yi; Xie, Xiaoyu; Zhou, Di; Li, Pinhua; Wang, Lei","Organocatalyzed Direct Aldol Reaction of Silyl Glyoxylates for the Synthesis of α-Hydroxysilanes.","Organic letters","2017","19","9","2282","2285","10.1021/acs.orglett.7b00811","","","0.71073","MoKα","","0.0519","0.0423","","","0.1132","0.1225","","","","","","1.047","","","","has coordinates","239359","2020-10-21","18:00:00",""
"1556039","5.8132","0.0014","8.851","0.002","31.166","0.008","90","","90","","90","","1603.6","0.7","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br F3 N O3 -","- C16 H13 Br F3 N O3 -","- C64 H52 Br4 F12 N4 O12 -","4","1","","Wang, Pei; Li, Hong-Feng; Zhao, Jia-Zhen; Du, Zhi-Hong; Da, Chao-Shan","Organocatalytic Enantioselective Cross-Aldol Reaction of o-Hydroxyarylketones and Trifluoromethyl Ketones.","Organic letters","2017","19","10","2634","2637","10.1021/acs.orglett.7b00828","","","0.71073","MoKα","","0.0725","0.045","","","0.0947","0.1037","","","","","","1.004","","","","has coordinates","239360","2020-10-21","18:00:00",""
"1556042","5.3756","0.00005","8.23448","0.00007","44.3104","0.0004","90","","90","","90","","1961.41","0.03","99.94","0.19","99.94","0.19","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 O S -","- C27 H22 O S -","- C108 H88 O4 S4 -","4","1","","Wang, Zhaobin; Sun, Jianwei","Enantioselective [4 + 2] Cycloaddition of o-Quinone Methides and Vinyl Sulfides: Indirect Access to Generally Substituted Chiral Chromanes.","Organic letters","2017","19","9","2334","2337","10.1021/acs.orglett.7b00867","","x-ray","1.54184","CuKα","","0.0236","0.0232","","","0.0599","0.0602","","","","","","1.002","","","","has coordinates","239363","2020-10-21","18:00:00",""
"1556050","11.4379","0.0006","12.8956","0.0007","15.0848","0.0008","90","","90","","90","","2225","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N O3 S -","- C27 H23 N O3 S -","- C108 H92 N4 O12 S4 -","4","1","","Wang, Zhen; Xu, Huacheng; Su, Qin; Hu, Ping; Shao, Pan-Lin; He, Yun; Lu, Yixin","Enantioselective Synthesis of Tetrahydropyridines/Piperidines via Stepwise [4 + 2]/[2 + 2] Cyclizations.","Organic letters","2017","19","12","3111","3114","10.1021/acs.orglett.7b01221","","","0.71073","MoKα","","0.026","0.0253","","","0.0663","0.0669","","","","","","1.049","","","","has coordinates","239371","2020-10-21","18:00:00",""
"1556051","8.9355","0.0005","14.869","0.0006","20.8047","0.0011","90","","90","","90","","2764.2","0.2","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 Cl N O4 S -","- C33 H26 Cl N O4 S -","- C132 H104 Cl4 N4 O16 S4 -","4","1","","Wang, Zhen; Xu, Huacheng; Su, Qin; Hu, Ping; Shao, Pan-Lin; He, Yun; Lu, Yixin","Enantioselective Synthesis of Tetrahydropyridines/Piperidines via Stepwise [4 + 2]/[2 + 2] Cyclizations.","Organic letters","2017","19","12","3111","3114","10.1021/acs.orglett.7b01221","","x-ray","0.71073","MoKα","","0.0617","0.0467","","","0.0993","0.1099","","","","","","1.017","","","","has coordinates","239372","2020-10-21","18:00:00",""
"1556056","7.1969","0.0002","9.884","0.0003","38.6328","0.0012","90","","90","","90","","2748.11","0.14","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17.5 H14 N2 O1.5 -","- C17.5 H14 N2 O1.5 -","- C140 H112 N16 O12 -","8","2","","Mei, Guang-Jian; Bian, Chen-Yu; Li, Guo-Hao; Xu, Shao-Li; Zheng, Wen-Qin; Shi, Feng","Catalytic Asymmetric Construction of the Tryptanthrin Skeleton via an Enantioselective Decarboxylative [4 + 2] Cyclization.","Organic letters","2017","19","12","3219","3222","10.1021/acs.orglett.7b01336","","","1.54178","CuKα","","0.0436","0.0414","","","0.1059","0.1077","","","","","","1.031","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1556074","12.3073","0.0015","18.643","0.002","20.256","0.002","90","","90","","90","","4647.6","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18.18 N2.18 O2.55 S0.73 -","- C16 H18.1818 N2.18182 O2.54545 S0.727273 -","- C176 H200 N24 O28 S8 -","11","2.75","","Hajra, Saumen; Singha Roy, Somnath; Aziz, Sk Mohammad; Das, Dhiraj","Catalyst-Free ""On-Water"" Regio- and Stereospecific Ring-Opening of Spiroaziridine Oxindole: Enantiopure Synthesis of Unsymmetrical 3,3'-Bisindoles.","Organic letters","2017","19","15","4082","4085","10.1021/acs.orglett.7b01833","","","0.71073","MoKα","","0.1335","0.0704","","","0.1726","0.201","","","","","","0.978","","","","has coordinates","239390","2020-10-21","18:00:00",""
"1556081","11.265","0.0005","16.5488","0.0007","23.0009","0.001","90","","90","","90","","4287.9","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 Cl4 F6 Fe N4 O6 S2 -","- C38 H44 Cl4 F6 Fe N4 O6 S2 -","- C152 H176 Cl16 F24 Fe4 N16 O24 S8 -","4","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","0.71073","MoKα","","0.0613","0.0561","","","0.1523","0.1567","","","","","","1.051","","","","has coordinates,has disorder","257426","2020-10-21","18:00:00",""
"1556084","5.761","","15.9645","0.0001","20.7087","0.0002","90","","90","","90","","1904.61","0.02","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O6 S -","- C22 H17 N O6 S -","- C88 H68 N4 O24 S4 -","4","1","","Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","Persistent organic room temperature phosphorescence: what is the role of molecular dimers?","Chemical Science","2020","11","3","833","838","10.1039/C9SC04632A","","x-ray","1.54184","CuKα","","0.029","0.0282","","","0.0784","0.0791","","","","","","1.037","","","","has coordinates","257427","2020-10-21","18:00:00",""
"1556090","16.5395","0.0001","24.4469","0.0001","38.1398","0.0002","90","","90","","90","","15421.4","0.14","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[Ag10H8(dppa)6](NO3)2","","- C154 H142 Ag10 N11 O9.5 P12 -","- C154 H142 Ag10 N11 O9.5 P12 -","- C616 H568 Ag40 N44 O38 P48 -","4","1","","Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J.","Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication","Nanoscale","2019","","","","","10.1039/C9NR08321A","","","1.54184","CuKα","","0.0526","0.0486","","","0.133","0.1368","","","","","","1.037","","","","has coordinates,has disorder","242767","2020-10-21","18:00:00",""
"1556102","9.2879","0.0006","9.8237","0.0006","19.8438","0.0013","90","","90","","90","","1810.6","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 I N O4 -","- C19 H18 I N O4 -","- C76 H72 I4 N4 O16 -","4","1","","Li, Guigen; Xu, Xin; Chen, Dianjun; Timmons, Cody; Carducci, Michael D.; Headley, Allan D.","Asymmetric halo aldol reaction (AHA).","Organic letters","2003","5","3","329","331","10.1021/ol027344+","","","0.71073","MoKα","","0.0292","0.0235","","","0.052","0.0545","","","","","","1.052","","","","has coordinates","288219","2023-12-11","21:40:11",""
"1556105","7.572","0.0003","10.031","0.0005","15.754","0.0008","90","","90","","90","","1196.59","0.1","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Magnus, Philip; Matthews, Kenneth S.; Lynch, Vince","New strategy for the synthesis of tetrahydroisoquinoline alkaloids.","Organic letters","2003","5","12","2181","2184","10.1021/ol034683+","","","0.71073","MoKα","","0.0696","0.041","","","0.0784","0.0878","","","","","","1.018","","","","has coordinates","243468","2020-10-21","18:00:00",""
"1556112","5.7104","0.0005","14.5249","0.0016","20.567","0.002","90","","90","","90","","1705.9","0.3","173","","173","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Weisser, Roland; Yue, Weimin; Reiser, Oliver","Enantioselective synthesis of furo[2,3-b]furans, a spongiane diterpenoid substructure.","Organic letters","2005","7","24","5353","5356","10.1021/ol051457m","","","0.71073","MoKα","","0.0913","0.0392","","","0.0711","0.0817","","","","","","0.694","","","","has coordinates","243474","2020-10-21","18:00:00",""
"1556113","5.31","0.0006","10.8386","0.001","12.8074","0.0012","90","","90","","90","","737.1","0.13","173","","173","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","1","","Weisser, Roland; Yue, Weimin; Reiser, Oliver","Enantioselective synthesis of furo[2,3-b]furans, a spongiane diterpenoid substructure.","Organic letters","2005","7","24","5353","5356","10.1021/ol051457m","","","0.71073","MoKα","","0.0292","0.0226","","","0.0446","0.0458","","","","","","0.988","","","","has coordinates","243475","2020-10-21","18:00:00",""
"1556117","10.2528","0.0005","10.7389","0.0005","47.533","0.002","90","","90","","90","","5233.6","0.4","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N O4 S -","- C31 H27 N O4 S -","- C248 H216 N8 O32 S8 -","8","2","","Tanaka, Ken; Osaka, Takuya; Noguchi, Keiichi; Hirano, Masao","Rhodium-catalyzed asymmetric one-pot transesterification and [2 + 2 + 2] cycloaddition leading to enantioenriched 3,3-disubstituted phthalides.","Organic letters","2007","9","7","1307","1310","10.1021/ol070179j","","","1.54187","CuKα","","0.0439","0.0391","","","0.0985","0.1026","","","","","","1.074","","","","has coordinates","244972","2020-10-21","18:00:00",""
"1556120","8.715","0.002","9.891","0.002","19.206","0.005","90","","90","","90","","1655.6","0.7","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","boeyz03","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Boeckman, Jr, Robert K; Miller, Yan; Ryder, Todd R.","Diels-Alder reactions of cyclic isoimidium salts.","Organic letters","2010","12","20","4524","4527","10.1021/ol101831b","","","0.71073","MoKα","","0.046","0.0368","","","0.0904","0.0956","","","","","","1.027","","","","has coordinates","243482","2020-10-21","18:00:00",""
"1556121","9.4597","0.0005","10.0663","0.0005","23.0589","0.0012","90","","90","","90","","2195.8","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","boeyz01","","","- C27 H29 N O3 -","- C27 H29 N O3 -","- C108 H116 N4 O12 -","4","1","","Boeckman, Jr, Robert K; Miller, Yan; Ryder, Todd R.","Diels-Alder reactions of cyclic isoimidium salts.","Organic letters","2010","12","20","4524","4527","10.1021/ol101831b","","","0.71073","MoKα","","0.0459","0.0359","","","0.088","0.0937","","","","","","1.026","","","","has coordinates","243483","2020-10-21","18:00:00",""
"1556122","8.5828","0.0015","13.808","0.002","19.023","0.003","90","","90","","90","","2254.4","0.6","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","boeyz09","","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C104 H124 N4 O12 -","4","1","","Boeckman, Jr, Robert K; Miller, Yan; Ryder, Todd R.","Diels-Alder reactions of cyclic isoimidium salts.","Organic letters","2010","12","20","4524","4527","10.1021/ol101831b","","","0.71073","MoKα","","0.0394","0.0342","","","0.0875","0.0912","","","","","","1.04","","","","has coordinates","243484","2020-10-21","18:00:00",""
"1556124","7.7887","0.0016","14.737","0.003","21.142","0.004","90","","90","","90","","2426.7","0.8","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","frojc02","","","- C26 H30 I N O5 -","- C26 H30 I N O5 -","- C104 H120 I4 N4 O20 -","4","1","","Ciesielski, Jennifer; Cariou, Kevin; Frontier, Alison J.","A macrocyclic β-iodoallenolate intermediate is key: synthesis of the ABD core of phomactin A.","Organic letters","2012","14","16","4082","4085","10.1021/ol3017116","","","0.71073","MoKα","","0.0672","0.0418","","","0.0783","0.087","","","","","","0.995","","","","has coordinates","243486","2020-10-21","18:00:00",""
"1556126","9.6487","0.0014","12.0714","0.0017","19.866","0.003","90","","90","","90","","2313.9","0.6","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ubsc13","","","- C26 H28 N2 O4 S -","- C26 H28 N2 O4 S -","- C104 H112 N8 O16 S4 -","4","1","","Sequeira, Fatima C.; Chemler, Sherry R.","Stereoselective synthesis of morpholines via copper-promoted oxyamination of alkenes.","Organic letters","2012","14","17","4482","4485","10.1021/ol301984b","","","0.71073","MoKα","","0.0476","0.0385","","","0.0927","0.0983","","","","","","1.04","","","","has coordinates","243488","2020-10-21","18:00:00",""
"1556128","10.49","0.003","10.995","0.002","13.995","0.004","90","","90","","90","","1614.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N4 O4 -","- C15 H20 N4 O4 -","- C60 H80 N16 O16 -","4","1","","Ottersbach, Philipp A.; Schmitz, Janina; Schnakenburg, Gregor; Gütschow, Michael","An access to aza-Freidinger lactams and E-locked analogs.","Organic letters","2013","15","3","448","451","10.1021/ol3030583","","","0.71073","MoKα","","0.09","0.0515","","","0.0909","0.1035","","","","","","1","","","","has coordinates","243490","2020-10-21","18:00:00",""
"1556130","9.917","0.001","10.626","0.002","11.336","0.001","90","","90","","90","","1194.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Lumbroso, Alexandre; Beaudet, Isabelle; Toupet, Loïc; Le Grognec, Erwan; Quintard, Jean-Paul","Stereodivergent synthesis of iminosugars from stannylated derivatives of (S)-vinylglycinol.","Organic letters","2013","15","1","160","163","10.1021/ol303213r","","","0.71073","MoKα","","0.0329","0.0282","","","0.0799","0.082","","","","","","1.115","","","","has coordinates","243491","2020-10-21","18:00:00",""
"1556131","8.431","0.001","11.03","0.002","13.069","0.003","90","","90","","90","","1215.3","0.4","120","1","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Lumbroso, Alexandre; Beaudet, Isabelle; Toupet, Loïc; Le Grognec, Erwan; Quintard, Jean-Paul","Stereodivergent synthesis of iminosugars from stannylated derivatives of (S)-vinylglycinol.","Organic letters","2013","15","1","160","163","10.1021/ol303213r","","","0.71073","MoKα","","0.0367","0.0276","","","0.0702","0.0721","","","","","","1.092","","","","has coordinates","243491","2020-10-21","18:00:00",""
"1556132","8.2","0.001","10.542","0.002","14.773","0.003","90","","90","","90","","1277","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","1","","Lumbroso, Alexandre; Beaudet, Isabelle; Toupet, Loïc; Le Grognec, Erwan; Quintard, Jean-Paul","Stereodivergent synthesis of iminosugars from stannylated derivatives of (S)-vinylglycinol.","Organic letters","2013","15","1","160","163","10.1021/ol303213r","","","0.71073","MoKα","","0.0367","0.031","","","0.0815","0.0844","","","","","","0.98","","","","has coordinates","243491","2020-10-21","18:00:00",""
"1556141","8.3789","0.0003","11.6032","0.0005","23.8284","0.0011","90","","90","","90","","2316.65","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Cl O4 -","- C30 H25 Cl O4 -","- C120 H100 Cl4 O16 -","4","1","","Bastida, David; Liu, Yankai; Tian, Xu; Escudero-Adán, Eduardo; Melchiorre, Paolo","Asymmetric vinylogous aldol reaction via H-bond-directing dienamine catalysis.","Organic letters","2013","15","1","220","223","10.1021/ol303312p","","","0.71073","MoKα","","0.0451","0.0386","","","0.0953","0.0994","","","","","","1.035","","","","has coordinates","243498","2020-10-21","18:00:00",""
"1556142","5.1292","0.0003","8.5021","0.0006","28.173","0.002","90","","90","","90","","1228.6","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Schüttler, Christian; Li-Böhmer, Zhen; Harms, Klaus; von Zezschwitz, Paultheo","Enantioselective synthesis of 3,4-disubstituted cis- and trans-1,2,5-thiadiazolidine-1,1-dioxides as precursors for chiral 1,2-diamines.","Organic letters","2013","15","4","800","803","10.1021/ol3034753","","","0.71073","MoKα","","0.0272","0.0228","","","0.0499","0.0505","","","","","","0.964","","","","has coordinates","243499","2020-10-21","18:00:00",""
"1556144","7.5446","0.0002","14.193","0.0004","17.9736","0.0006","90","","90","","90","","1924.62","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 F5 N O2 -","- C21 H20 F5 N O2 -","- C84 H80 F20 N4 O8 -","4","1","","Fustero, Santos; Ibáñez, Ignacio; Barrio, Pablo; Maestro, Miguel A.; Catalán, Silvia","Gold-catalyzed intramolecular hydroamination of o-alkynylbenzyl carbamates: a route to chiral fluorinated isoindoline and isoquinoline derivatives.","Organic letters","2013","15","4","832","835","10.1021/ol3035142","","","0.71073","MoKα","","0.0345","0.0291","","","0.0699","0.0806","","","","","","1.075","","","","has coordinates","243501","2020-10-21","18:00:00",""
"1556145","12.6747","0.0005","15.3867","0.0006","23.8253","0.001","90","","90","","90","","4646.5","0.3","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50.5 H43 Cl I N O2 -","- C50.5 H43 Cl I N O2 -","- C202 H172 Cl4 I4 N4 O8 -","4","1","","Liu, Yan; Shirakawa, Seiji; Maruoka, Keiji","Phase-transfer-catalyzed asymmetric conjugate cyanation of alkylidenemalonates with KCN in the presence of a Brønsted acid additive.","Organic letters","2013","15","6","1230","1233","10.1021/ol400143m","","","1.54187","CuKα","","","0.1041","","","","0.3708","","","","","","1.051","","","","has coordinates","243502","2020-10-21","18:00:00",""
"1556147","8.9007","0.0002","14.791","0.0004","17.7255","0.0005","90","","90","","90","","2333.57","0.11","115","","115","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 B Fe O P -","- C29 H28 B Fe O P -","- C116 H112 B4 Fe4 O4 P4 -","4","1","","Rémond, Emmanuelle; Bayardon, Jérôme; Takizawa, Shinobu; Rousselin, Yoann; Sasai, Hiroaki; Jugé, Sylvain","o-(Hydroxyalkyl)phenyl P-chirogenic phosphines as functional chiral Lewis bases.","Organic letters","2013","15","8","1870","1873","10.1021/ol400515e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0416","0.0376","","","0.0771","0.0806","","","","","","1.095","","","","has coordinates","243504","2020-10-21","18:00:00",""
"1556148","9.01","0.0003","14.7132","0.0005","17.6287","0.0006","90","","90","","90","","2336.97","0.14","115","2","115","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 B Fe O P -","- C29 H28 B Fe O P -","- C116 H112 B4 Fe4 O4 P4 -","4","1","","Rémond, Emmanuelle; Bayardon, Jérôme; Takizawa, Shinobu; Rousselin, Yoann; Sasai, Hiroaki; Jugé, Sylvain","o-(Hydroxyalkyl)phenyl P-chirogenic phosphines as functional chiral Lewis bases.","Organic letters","2013","15","8","1870","1873","10.1021/ol400515e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0354","0.0334","","","0.0694","0.071","","","","","","1.101","","","","has coordinates","243504","2020-10-21","18:00:00",""
"1556149","8.9778","0.0003","9.0335","0.0003","29.5925","0.0011","90","","90","","90","","2399.98","0.14","115","2","115","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 B Fe O P -","- C27 H32 B Fe O P -","- C108 H128 B4 Fe4 O4 P4 -","4","1","","Rémond, Emmanuelle; Bayardon, Jérôme; Takizawa, Shinobu; Rousselin, Yoann; Sasai, Hiroaki; Jugé, Sylvain","o-(Hydroxyalkyl)phenyl P-chirogenic phosphines as functional chiral Lewis bases.","Organic letters","2013","15","8","1870","1873","10.1021/ol400515e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0523","0.0464","","","0.0935","0.0987","","","","","","1.114","","","","has coordinates","243504","2020-10-21","18:00:00",""
"1556150","9.1406","0.0003","9.7796","0.0003","27.2445","0.0007","90","","90","","90","","2435.42","0.13","115","2","115","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 B Fe O P -","- C27 H32 B Fe O P -","- C108 H128 B4 Fe4 O4 P4 -","4","1","","Rémond, Emmanuelle; Bayardon, Jérôme; Takizawa, Shinobu; Rousselin, Yoann; Sasai, Hiroaki; Jugé, Sylvain","o-(Hydroxyalkyl)phenyl P-chirogenic phosphines as functional chiral Lewis bases.","Organic letters","2013","15","8","1870","1873","10.1021/ol400515e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0601","0.0501","","","0.0934","0.1004","","","","","","1.176","","","","has coordinates","243504","2020-10-21","18:00:00",""
"1556158","10.0241","0.0004","10.2749","0.0004","16.6432","0.0006","90","","90","","90","","1714.19","0.11","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Mycrophyllandiolide","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Bautista, Elihú; Toscano, Rubén Alfredo; Ortega, Alfredo","Microphyllandiolide, a new diterpene with an unprecedented skeleton from Salvia microphylla.","Organic letters","2013","15","13","3210","3213","10.1021/ol401022c","","","1.54184","CuKα","","0.0309","0.0308","","","0.0922","0.0923","","","","","","1.1","","","","has coordinates,has disorder","243512","2020-10-21","18:00:00",""
"1556167","6.6646","0.0004","8.5137","0.0004","30.7646","0.0015","90","","90","","90","","1745.6","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O3 Si -","- C16 H28 N2 O3 Si -","- C64 H112 N8 O12 Si4 -","4","1","","Liu, Huaqing; O'Connor, Matthew J; Sun, Chunrui; Wink, Donald J.; Lee, Daesung","Sequential reactions of trimethylsilyldiazomethane with 4-alkenyl ketones and aldehydes catalyzed by Lewis bases.","Organic letters","2013","15","12","2974","2977","10.1021/ol401124t","","","1.54178","CuKα","","0.0455","0.0443","","","0.109","0.1096","","","","","","1.118","","","","has coordinates","243521","2020-10-21","18:00:00",""
"1556173","10.0001","0.0003","10.0316","0.0004","19.1693","0.0006","90","","90","","90","","1923.01","0.11","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br O -","- C23 H21 Br O -","- C92 H84 Br4 O4 -","4","1","","Hansmann, Max M.; Hashmi, A Stephen K; Lautens, Mark","Gold meets rhodium: tandem one-pot synthesis of β-disubstituted ketones via Meyer-Schuster rearrangement and asymmetric 1,4-addition.","Organic letters","2013","15","13","3226","3229","10.1021/ol4011739","","","1.54178","CuKα","","0.0709","0.0519","","","0.1287","0.1396","","","","","","1.061","","","","has coordinates","243527","2020-10-21","18:00:00",""
"1556181","6.7978","0.0002","13.7806","0.0004","19.1936","0.0007","90","","90","","90","","1798.01","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H12 Cl N3 O2 -","- C21 H12 Cl N3 O2 -","- C84 H48 Cl4 N12 O8 -","4","1","","Ramachary, D. B.; Venkaiah, Chintalapudi; Madhavachary, R.","Asymmetric synthesis of druglike six-membered spirooxindoles through an amino enyne catalysis.","Organic letters","2013","15","12","3042","3045","10.1021/ol401227q","","","1.54184","CuKα","","0.0453","0.0392","","","0.1152","0.124","","","","","","0.875","","","","has coordinates","243535","2020-10-21","18:00:00",""
"1556184","9.2161","0.0003","14.354","0.0004","21.9606","0.0006","90","","90","","90","","2905.12","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H44 O9 -","- C31 H44 O9 -","- C124 H176 O36 -","4","1","","Zhang, Mengke; Zhu, Yan; Zhan, Guanqun; Shu, Penghua; Sa, Rongjian; Lei, Liang; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Wan, Qian; Yao, Guangmin; Zhang, Yonghui","Micranthanone A, a new diterpene with an unprecedented carbon skeleton from Rhododendron micranthum.","Organic letters","2013","15","12","3094","3097","10.1021/ol401292y","","","1.54178","CuKα","","0.0343","0.0338","","","0.0923","0.0928","","","","","","1.047","","","","has coordinates,has disorder","243538","2020-10-21","18:00:00",""
"1556186","9.439","0.007","13.768","0.01","26.584","0.019","90","","90","","90","","3455","4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Cl N5 O2 -","- C37 H40 Cl N5 O2 -","- C148 H160 Cl4 N20 O8 -","4","1","","Zou, Liwei; Wang, Baomin; Mu, Hongfang; Zhang, Huanrui; Song, Yuming; Qu, Jingping","Development of tartaric acid derived chiral guanidines and their application to catalytic enantioselective α-hydroxylation of β-dicarbonyl compounds.","Organic letters","2013","15","12","3106","3109","10.1021/ol401306h","","","0.71073","MoKα","","0.1131","0.0601","","","0.1389","0.1577","","","","","","1","","","","has coordinates","243540","2020-10-21","18:00:00",""
"1556204","8.16912","0.00008","14.1495","0.00013","20.6305","0.0002","90","","90","","90","","2384.66","0.04","123","","123","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O5 Si -","- C23 H38 O5 Si -","- C92 H152 O20 Si4 -","4","1","","Kreuzer, Andreas; Kerres, Sabine; Ertl, Thomas; Rücker, Hannelore; Amslinger, Sabine; Reiser, Oliver","Asymmetric synthesis of both enantiomers of arteludovicinolide A.","Organic letters","2013","15","13","3420","3423","10.1021/ol401473v","","x-ray","1.54184","CuKα","","0.0368","0.0355","","","0.0937","0.0957","","","","","","1.026","","","","has coordinates","243559","2020-10-21","18:00:00",""
"1556205","9.8721","0.0007","10.1397","0.0007","16.1579","0.0012","90","","90","","90","","1617.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Cl N2 O3 -","- C16 H21 Cl N2 O3 -","- C64 H84 Cl4 N8 O12 -","4","1","","Brawn, Ryan A.; Guimarães, Cristiano R W; McClure, Kim F.; Liras, Spiros","Enantioselective hydroarylation of bridged [3.2.1] heterocycles: an efficient entry into the homoepibatidine skeleton.","Organic letters","2013","15","13","3424","3427","10.1021/ol401477r","","","0.71073","MoKα","","0.0276","0.0268","","","0.0735","0.0742","","","","","","1.093","","","","has coordinates","243560","2020-10-21","18:00:00",""
"1556206","9.9446","0.0008","10.3967","0.0009","16.1629","0.0013","90","","90","","90","","1671.1","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Cl N2 O3 -","- C16 H21 Cl N2 O3 -","- C64 H84 Cl4 N8 O12 -","4","1","","Brawn, Ryan A.; Guimarães, Cristiano R W; McClure, Kim F.; Liras, Spiros","Enantioselective hydroarylation of bridged [3.2.1] heterocycles: an efficient entry into the homoepibatidine skeleton.","Organic letters","2013","15","13","3424","3427","10.1021/ol401477r","","","1.54178","CuKα","","0.0625","0.0613","","","0.1649","0.1671","","","","","","1.069","","","","has coordinates","243561","2020-10-21","18:00:00",""
"1556220","6.161","0.002","19.878","0.004","23.992","0.005","90","","90","","90","","2938.3","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 Br O5 -","- C32 H37 Br O5 -","- C128 H148 Br4 O20 -","4","1","","Ma, Shuang-Gang; Gao, Rong-Mei; Li, Yu-Huan; Jiang, Jian-Dong; Gong, Ning-Bo; Li, Li; Lü, Yang; Tang, Wen-Zhao; Liu, Yun-Bao; Qu, Jing; Lü, Hai-Ning; Li, Yong; Yu, Shi-Shan","Antiviral spirooliganones A and B with unprecedented skeletons from the roots of Illicium oligandrum.","Organic letters","2013","15","17","4450","4453","10.1021/ol401992s","","","1.54178","CuKα","","0.0607","0.0541","","","0.128","0.1381","","","","","","1.006","","","","has coordinates,has disorder","243573","2020-10-21","18:00:00",""
"1556266","10.42","0.0017","12.888","0.002","19.103","0.003","90","","90","","90","","2565.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O6 -","- C28 H27 N O6 -","- C112 H108 N4 O24 -","4","1","","Wang, Ming; Shi, Yu-Hua; Luo, Jun-Fei; Du, Wenting; Shi, Xiao-Xin; Fossey, John S.; Deng, Wei-Ping","Novel N,O-Cu(OAc)2 complex catalysed diastereo- and enantioselective 1,4-addition of glycine derivatives to alkylidene malonates","Catalysis Science & Technology","2011","1","1","100","","10.1039/c0cy00001a","","","0.71073","MoKα","","0.0463","0.035","","","0.0814","0.0852","","","","","","0.983","","","","has coordinates","244132","2020-10-21","18:00:00",""
"1556335","14.1975","0.0005","16.3823","0.0004","20.5561","0.0005","90","","90","","90","","4781.1","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 Cl2 P4 Rh2 -","- C44 H72 Cl2 P4 Rh2 -","- C176 H288 Cl8 P16 Rh8 -","4","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0213","0.0184","","","0.0377","0.0381","","","","","","0.908","","","","has coordinates","244217","2020-10-21","18:00:00",""
"1556337","16.431","0.003","20.348","0.004","21.116","0.004","90","","90","","90","","7060","2","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C54 H84 B Br0.8 Cl1.2 F4 P6 Rh3 -","- C54 H84 B Br0.8 Cl1.2 F4 P6 Rh3 -","- C216 H336 B4 Br3.2 Cl4.8 F16 P24 Rh12 -","4","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0321","0.0229","","","0.042","0.043","","","","","","0.769","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556371","7.129","0.003","11.454","0.005","19.387","0.009","90","","90","","90","","1583.1","1.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Cl N4 O3 -","- C17 H15 Cl N4 O3 -","- C68 H60 Cl4 N16 O12 -","4","1","","Siddiqui, Zeba N.; Khan, Tabassum","P2O5/SiO2 as an efficient heterogeneous catalyst for the synthesis of heterocyclic alkene derivatives under thermal solvent-free conditions","Catalysis Science & Technology","2013","3","8","2032","","10.1039/c3cy00095h","","","0.71073","MoKα","","0.1887","0.1524","","","0.3606","0.3845","","","","","","1.184","","","","has coordinates","244406","2020-10-21","18:00:00",""
"1556391","9.1769","0.0018","10.289","0.002","14.62","0.003","90","","90","","90","","1380.4","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Zhang, Shaoguang; Zhan, Ming; Wang, Qifeng; Wang, Chao; Zhang, Wen-Xiong; Xi, Zhenfeng","Synthesis of semibullvalene derivatives via Co2(CO)8-mediated cyclodimerization of 1,4-dilithio-1,3-butadienes","Org. Chem. Front.","2014","1","2","130","","10.1039/C3QO00019B","","","0.71073","MoKα","","0.0534","0.0499","","","0.121","0.1232","","","","","","1.168","","","","has coordinates,has disorder","244430","2020-10-21","18:00:00",""
"1556393","9.466","0.006","12.4249","0.0008","13.3396","0.0011","90","","90","","90","","1568.9","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Br N3 O -","- C16 H16 Br N3 O -","- C64 H64 Br4 N12 O4 -","4","1","","Fu, Niankai; Zhang, Long; Luo, Sanzhong; Cheng, Jin-Pei","Chiral primary amine catalysed asymmetric conjugate addition of azoles to α-substituted vinyl ketones","Org. Chem. Front.","2014","1","1","68","","10.1039/C3QO00027C","","","0.71073","MoKα","","0.0299","0.0286","","","0.0677","0.0684","","","","","","1.115","","","","has coordinates","244431","2020-10-21","18:00:00",""
"1556492","10.287","0.002","11.429","0.002","20.495","0.004","90","","90","","90","","2409.6","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 K O2 Si -","- C22 H37 K O2 Si -","- C88 H148 K4 O8 Si4 -","4","1","","Seifert, T.; Roesky, P.W.","Alkali and Alkaline Earth Metal Complexes Ligated by an Ethynyl Substituted Cyclopentadienyl Ligand","Inorganics","2017","5","","28","","10.3390/inorganics5020028","","","0.71073","MoKα","","0.0503","0.038","","","0.0872","0.0913","","","","","","0.993","","","","has coordinates,has disorder","244984","2020-10-21","18:00:00",""
"1556501","6.7423","0.0004","13.9706","0.0008","18.0631","0.001","90","","90","","90","","1701.44","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dipp-Me-KetoImine","2-(2,6-diisopropylphenyl)-3-methylpent-2-en-4-one","","- C18 H27 N O -","- C18 H27 N O -","- C72 H108 N4 O4 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0454","0.0407","","","0.1129","0.1172","","","","","","1.031","","","","has coordinates","244994","2020-10-21","18:00:00",""
"1556506","13.753","0.0009","18.3062","0.0013","24.0904","0.0017","90","","90","","90","","6065.1","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tetrakis(lithio 2-(2,4,6-trimethylphenylamino)pent-2-en-4-one)","","- C63 H80 Li4 N4 O4 -","- C63 H80 Li4 N4 O4 -","- C252 H320 Li16 N16 O16 -","4","1","","Gietz, T.; Boere, R.T.","Backbone-Substituted beta-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations","Inorganics","2017","5","","30","","10.3390/inorganics5020030","","x-ray","0.71073","MoKα","","0.0507","0.0386","","","0.099","0.1077","","","","","","1.039","","","","has coordinates,has disorder","244994","2020-10-21","18:00:00",""
"1556528","11.3421","0.0005","15.3291","0.0007","36.7355","0.0018","90","","90","","90","","6387","0.5","150","0.1","150","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","{tris[1-methyl-2-(pyridin-2-ylmethylene-κN)hydrazinyl-κN^2^]phosphane sulfide}iron(II) tetrafluoroborate‒acetonitrile(2/3)","","- C24 H28.5 B2 F8 Fe N10.5 P S -","- C24 H28.5 B2 F8 Fe N10.5 P S -","- C192 H228 B16 F64 Fe8 N84 P8 S8 -","8","2","","Stock, P.; Wiedemann, D.; Petzold, H.; Horner, G.","Structural Dynamics of Spin Crossover in Iron(II) Complexes with Extended-Tripod Ligands","Inorganics","2017","5","","60","","10.3390/inorganics5030060","","x-ray","0.71073","MoKα","","0.081","0.0578","","","0.1078","0.118","","","","","","1.018","","","","has coordinates,has disorder","245016","2020-10-21","18:00:00",""
"1556536","6.345","0.0002","14.5492","0.0005","16.7909","0.0007","90","","90","","90","","1550.05","0.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N2 O5 Re -","- C15 H13 N2 O5 Re -","- C60 H52 N8 O20 Re4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0517","0.0239","","","0.0424","0.0501","","","","","","1","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556557","13.4778","0.0017","15.173","0.002","17.57","0.002","90","","90","","90","","3593","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 Cl2 N4 Zn -","- C13 H28 Cl2 N4 Zn -","- C104 H224 Cl16 N32 Zn8 -","8","2","","Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.","Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide","Inorganics","2017","5","","85","","10.3390/inorganics5040085","","","0.71073","MoKα","","0.0579","0.0438","","","0.0888","0.0942","","","","","","0.946","","","","has coordinates","245053","2020-10-21","18:00:00",""
"1556572","6.4945","0.0003","11.4293","0.0005","24.7998","0.0011","90","","90","","90","","1840.83","0.14","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O5 -","- C20 H34 O5 -","- C80 H136 O20 -","4","1","","Zheng, Guijuan; Zhou, Junfei; Huang, Lang; Zhang, Hao; Sun, Na; Zhang, Hanqi; Jin, Pengfei; Yue, Mingbo; Meng, Lingkui; Yao, Guangmin","Antinociceptive Grayanane Diterpenoids from the Leaves of <i>Pieris japonica</i>.","Journal of natural products","2019","82","12","3330","3339","10.1021/acs.jnatprod.9b00569","","","1.54178","CuKα","","0.0355","0.0313","","","0.0742","0.0769","","","","","","1.045","","","","has coordinates","246571","2020-10-21","18:00:00",""
"1556575","8.736","0.00015","16.3578","0.0003","18.2142","0.0003","90","","90","","90","","2602.84","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N4 O7 S -","- C28 H30 N4 O7 S -","- C112 H120 N16 O28 S4 -","4","1","","Kong, Fan-Dong; Zhang, Sheng-Liang; Zhou, Shuang-Qing; Ma, Qing-Yun; Xie, Qing-Yi; Chen, Jin-Ping; Li, Jiu-Hui; Zhou, Li-Man; Yuan, Jing-Zhe; Hu, Zhong; Dai, Hao-Fu; Huang, Xiao-Long; Zhao, You-Xing","Quinazoline-Containing Indole Alkaloids from the Marine-Derived Fungus <i>Aspergillus</i> sp. HNMF114.","Journal of natural products","2019","82","12","3456","3463","10.1021/acs.jnatprod.9b00845","","x-ray","1.54184","CuKα","","0.0318","0.0302","","","0.0752","0.0767","","","","","","1.04","","","","has coordinates","246574","2020-10-21","18:00:00",""
"1556649","9.724","0.0003","14.9525","0.0004","16.4897","0.0005","90","","90","","90","","2397.57","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 B F10 N -","- C27 H20 B F10 N -","- C108 H80 B4 F40 N4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0578","0.0457","","","0.0892","0.0946","","","","","","1.06","","","","has coordinates,has disorder","257325","2020-10-21","18:00:00",""
"1556663","16.6456","0.0019","16.9851","0.0019","34.357","0.004","90","","90","","90","","9713.7","1.9","100","2","100","2","","","","","","","synthetical product","7","P 21 21 21","P 2ac 2ab","19","bromo-(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-S)-[hydri- do-tris(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-H,S,S')-borate]-zinc","bromo-(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-S)-[hydri- do-tris(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-H,S,S')-borate]-zinc","","- C36 H54 B Br N8 S4 Zn -","- C36 H54 B Br N8 S4 Zn -","- C288 H432 B8 Br8 N64 S32 Zn8 -","8","2","","Tuchler, M.; Rambock, M.; Glanzer, S.; Zangger, K.; Belaj, F.; Mosch-Zanetti, N.C.","Mono- and Hexanuclear Zinc Halide Complexes with Soft Thiopyridazine Based Scorpionate Ligands","Inorganics","2019","7","","24","","10.3390/inorganics7020024","","","0.71073","MoKα","","0.0975","0.0526","","","0.116","0.1315","","","","","","1.014","","","","has coordinates","245381","2020-10-21","18:00:00",""
"1556676","10.918","0.0004","20.4455","0.0007","23.1939","0.0008","90","","90","","90","","5177.4","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(DPFN)Cu2AdCN](NTf2)2","","","- C45 H35 Cu2 F14 N9 O8 S4 -","- C45 H35 Cu2 F14 N9 O8 S4 -","- C180 H140 Cu8 F56 N36 O32 S16 -","4","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.7288","synchrotron","","0.0538","0.0503","","","0.1329","0.1374","","","","","","1.058","","","","has coordinates","250234","2020-10-21","18:00:00",""
"1556699","6.89532","0.00009","12.63419","0.00015","20.7068","0.0002","90","","90","","90","","1803.91","0.04","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O6 -","- C21 H19 N O6 -","- C84 H76 N4 O24 -","4","1","","Bangalore, Pavan K.; Vagolu, Siva K.; Bollikanda, Rakesh K.; Veeragoni, Dileep K.; Choudante, Pallavi C.; Misra, Sunil; Sriram, Dharmarajan; Sridhar, Balasubramanian; Kantevari, Srinivas","Usnic Acid Enaminone-Coupled 1,2,3-Triazoles as Antibacterial and Antitubercular Agents","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00475","","","0.71073","MoKα","","0.0471","0.0414","","","0.1088","0.1128","","","","","","1.052","","","","has coordinates","245456","2020-10-21","18:00:00",""
"1556700","7.6289","0.0002","13.0886","0.0003","14.6321","0.0003","90","","90","","90","","1461.04","0.06","98","2","98","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Varela, Kaitlyn; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of [3,3-2H2]-Dihydroartemisinic Acid to Measure the Rate of Nonenzymatic Conversion of Dihydroartemisinic Acid to Artemisinin","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00686","","x-ray","0.71073","MoKα","","0.0401","0.0393","","","0.0913","0.0918","","","","","","1.087","","","","has coordinates","245458","2020-10-21","18:00:00",""
"1556701","5.1545","0.0001","14.0173","0.0004","18.2753","0.0004","90","","90","","90","","1320.43","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","","Varela, Kaitlyn; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of [3,3-2H2]-Dihydroartemisinic Acid to Measure the Rate of Nonenzymatic Conversion of Dihydroartemisinic Acid to Artemisinin","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00686","","x-ray","0.71073","MoKα","","0.0341","0.0333","","","0.0838","0.0848","","","","","","1.058","","","","has coordinates","245459","2020-10-21","18:00:00",""
"1556711","9.93659","0.00004","13.42999","0.00005","18.77544","0.00008","90","","90","","90","","2505.55","0.017","99.8","0.3","99.8","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O8 -","- C27 H32 O8 -","- C108 H128 O32 -","4","1","","Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00878","","","1.54184","CuKα","","0.0249","0.0248","","","0.0657","0.0658","","","","","","1.068","","","","has coordinates","245534","2020-10-21","18:00:00",""
"1556713","12.44242","0.00004","13.08682","0.00004","18.83541","0.00005","90","","90","","90","","3067","0.016","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 Cl0 N0 O12 -","- C33 H42 O12 -","- C132 H168 O48 -","4","1","","Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00878","","","1.54184","CuKα","","0.0468","0.0466","","","0.1271","0.1272","","","","","","1.224","","","","has coordinates","245536","2020-10-21","18:00:00",""
"1556714","12.2786","0.0001","12.9947","0.0001","15.2581","0.0001","90","","90","","90","","2434.53","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O8 -","- C27 H32 O8 -","- C108 H128 O32 -","4","1","","Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui","Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00878","","x-ray","1.54184","CuKα","","0.0296","0.0289","","","0.076","0.0764","","","","","","1.041","","","","has coordinates","245537","2020-10-21","18:00:00",""
"1556721","5.81156","0.00011","17.547","0.0003","18.1227","0.0003","90","","90","","90","","1848.07","0.06","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O S -","- C24 H19 N O S -","- C96 H76 N4 O4 S4 -","4","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0285","0.0273","","","0.0676","0.0684","","","","","","1.046","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556722","7.4225","0.00012","9.90594","0.00016","19.5109","0.0003","90","","90","","90","","1434.57","0.04","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0257","0.0243","","","0.0605","0.0619","","","","","","1.099","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556730","9.959","0.004","11.731","0.004","12.842","0.005","90","","90","","90","","1500.3","1","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity","IUCrJ","2020","7","1","105","112","10.1107/S2052252519016142","","","0.71073","MoKα","","0.1518","0.0568","","","0.1362","0.1924","","","","","","0.871","","","","has coordinates","247894","2020-10-21","18:00:00",""
"1556745","7.7849","0.0004","10.5146","0.0005","31.2712","0.0014","90","","90","","90","","2559.7","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 S2 Si2 -","- C22 H38 S2 Si2 -","- C88 H152 S8 Si8 -","4","1","","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules.","IUCrJ","2015","2","Pt 5","584","600","10.1107/S2052252515011665","","x-ray","0.71073","MoKα","","0.028","0.0267","","","0.0399","0.04","","","","2.75","2.75","2.72","","","","has coordinates","245729","2020-10-21","18:00:00",""
"1556763","7.0213","0.0003","8.8214","0.0004","25.1416","0.0012","90","","90","","90","","1557.21","0.12","130","2","130","2","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O9 -","- C15 H16 N2 O9 -","- C60 H64 N8 O36 -","4","1","","Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics.","IUCrJ","2015","2","Pt 3","341","351","10.1107/S2052252515002651","","x-ray","0.71073","MoKα","","0.0451","0.0393","","","0.0913","0.0958","","","","","","1.043","","","","has coordinates","246055","2020-10-21","18:00:00",""
"1556824","8.0798","0.0003","8.1645","0.0003","20.3778","0.0008","90","","90","","90","","1344.27","0.09","100","2","99.97","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0252","0.025","","","0.0627","0.0629","","","2.62","","","1.091","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556825","8.0798","0.0003","8.1645","0.0003","20.3778","0.0008","90","","90","","90","","1344.27","0.09","100","2","99.97","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0337","0.0328","","","0.0935","0.0943","","","2.62","","","1.122","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556826","8.1019","0.0013","8.1922","0.0013","20.442","0.003","90","","90","","90","","1356.8","0.4","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","triptycene","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","neutron","","Mo-Kα","","0.0726","0.0672","","","0.1557","0.1616","","","2.62","","","1.075","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556827","8.08","","8.165","","20.378","","90","","90","","90","","1344.4","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.0111","0.0109","","","0.0325","0.0326","","","2.62","","","1.226","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556828","8.08","","8.165","","20.378","","90","","90","","90","","1344.4","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof","Yes, one can obtain better quality structures from routine X-ray data collection.","IUCrJ","2016","3","Pt 1","61","70","10.1107/S2052252515020941","","","0.71073","MoKα","","0.017","0.0161","","","0.0404","0.0407","","","2.62","","","1.17","","","","has coordinates","246060","2020-10-21","18:00:00",""
"1556846","5.6044","0.0001","9.5819","0.0002","26.472","0.0005","90","","90","","90","","1421.57","0.05","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F9 O2 -","- C11 H13 F9 O2 -","- C44 H52 F36 O8 -","4","1","","Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien","Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties.","Chemical science","2020","11","6","1629","1635","10.1039/c9sc05196a","","x-ray","1.54184","CuKα","","0.0508","0.0493","","","0.1393","0.1416","","","","","","1.064","","","","has coordinates","250229","2020-10-21","18:00:00",""
"1556857","6.2668","0.0008","14.648","0.003","31.434","0.005","90","","90","","90","","2885.5","0.8","106.7","","106.7","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H54 O4 -","- C32 H54 O4 -","- C128 H216 O16 -","4","1","","Li, Bin; Kuang, Yi; He, Jun-Bin; Tang, Rui; Xu, Lu-Lu; Leung, Chung-Hang; Ma, Dik-Lung; Qiao, Xue; Ye, Min","Antcamphorols A‒K, Cytotoxic and ROS Scavenging Triterpenoids from Antrodia camphorata","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00580","","","1.5418","CuKα","","0.0523","0.0463","","","0.1114","0.1159","","","","","","1.042","","","","has coordinates,has disorder","246344","2020-10-21","18:00:00",""
"1556858","11.0367","0.0008","12.1537","0.0007","18.4758","0.0007","90","","90","","90","","2478.3","0.2","103.8","","103.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O2 -","- C29 H44 O2 -","- C116 H176 O8 -","4","1","","Li, Bin; Kuang, Yi; He, Jun-Bin; Tang, Rui; Xu, Lu-Lu; Leung, Chung-Hang; Ma, Dik-Lung; Qiao, Xue; Ye, Min","Antcamphorols A‒K, Cytotoxic and ROS Scavenging Triterpenoids from Antrodia camphorata","Journal of Natural Products","2019","","","","","10.1021/acs.jnatprod.9b00580","","","1.5418","CuKα","","0.1086","0.1064","","","0.2631","0.2645","","","","","","1.059","","","","has coordinates,has disorder","246345","2020-10-21","18:00:00",""
"1556893","5.392","0.003","6.806","0.003","11.261","0.005","90","","90","","90","","413.3","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pyridine II","","- C5 H5 N -","- C5 H5 N -","- C20 H20 N4 -","4","1","","Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon","High-pressure polymorphism in pyridine","IUCrJ","2020","7","1","58","70","10.1107/S2052252519015616","","","0.49594","synchrotron","","0.04","0.029","","","0.0583","0.0602","","","","","","0.882","","","","has coordinates","246422","2020-10-21","18:00:00",""
"1556908","7.191","0.0001","13.5045","0.0001","18.6644","0.0002","90","","90","","90","","1812.52","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0336","0.0325","","","0.1052","0.1083","","","","","","0.948","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556911","32.8358","0.0003","11.60538","0.0001","5.85758","0.00007","90","","90","","90","","2232.16","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 F3 N2 O4 S -","- C24 H21 F3 N2 O4 S -","- C96 H84 F12 N8 O16 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0618","0.0616","","","0.1477","0.1478","","","","","","1.093","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556914","8.33247","0.00002","15.71709","0.00006","17.93381","0.00005","90","","90","","90","","2348.65","0.012","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O2 -","- C28 H30 N2 O2 -","- C112 H120 N8 O8 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0279","0.0277","","","0.0703","0.0705","","","","","","1.085","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556915","6.0985","0.0004","11.5023","0.0005","30.8387","0.0015","90","","90","","90","","2163.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O4 S -","- C24 H24 N2 O4 S -","- C96 H96 N8 O16 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0871","0.0624","","","0.155","0.1773","","","","","","1.098","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556921","5.6664","0.0002","8.4625","0.0003","52.2037","0.0014","90","","90","","90","","2503.27","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N2 O11.5 -","- C26 H35 N2 O11.5 -","- C104 H140 N8 O46 -","4","1","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from <i>Uncaria rhynchophylla</i>.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.0824","0.077","","","0.1945","0.1993","","","","","","1.083","","","","has coordinates,has disorder","246508","2020-10-21","18:00:00",""
"1556922","8.15738","0.00019","10.7672","0.0002","33.9634","0.0007","90","","90","","90","","2983.08","0.11","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 N2 O12 -","- C29 H34 N2 O12 -","- C116 H136 N8 O48 -","4","1","","Guo, Qiang; Si, Xiali; Shi, Yuntao; Yang, Hongshuai; Liu, Xinyu; Liang, Hong; Tu, Pengfei; Zhang, Qingying","Glucoconjugated Monoterpene Indole Alkaloids from <i>Uncaria rhynchophylla</i>.","Journal of natural products","2019","82","12","3288","3301","10.1021/acs.jnatprod.9b00490","","x-ray","1.54184","CuKα","","0.0487","0.0432","","","0.0962","0.0996","","","","","","1.051","","","","has coordinates","246509","2020-10-21","18:00:00",""
"1556983","7.4338","0.0001","19.1874","0.0001","28.7281","0.0001","90","","90","","90","","4097.64","0.06","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19.35 N5 O4.18 -","- C23 H19.35 N5 O4.175 -","- C184 H154.8 N40 O33.4 -","8","2","","Lin, Shuang; Yu, Huimin; Yang, Beiye; Li, Fengli; Chen, Xia; Li, Huaqiang; Zhang, Sitian; Wang, Jianping; Hu, Youcai; Hu, Zhengxi; Zhang, Yonghui","Reisolation and Configurational Reinvestigation of Cottoquinazolines E-G from an Arthropod-Derived Strain of the Fungus <i>Neosartorya fischeri</i>.","Journal of natural products","2020","83","1","169","173","10.1021/acs.jnatprod.9b01000","","x-ray","1.54184","CuKα","","0.0261","0.0254","","","0.065","0.0654","","","","","","1.032","","","","has coordinates","247536","2020-10-21","18:00:00",""
"1556994","9.072","0.0018","9.846","0.002","23.918","0.005","90","","90","","90","","2136.4","0.8","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C112 H104 N8 -","4","1","","Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong","Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions.","Chemical science","2020","11","6","1672","1676","10.1039/c9sc06369b","","","0.73","synchrotron","","0.0643","0.0588","","","0.1755","0.1815","","","","","","1.154","","","","has coordinates","250232","2020-10-21","18:00:00",""
"1557038","9.3134","0.0004","11.3699","0.0014","17.7933","0.0011","90","","90","","90","","1884.2","0.3","","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O4 -","- C20 O4 -","- C80 O16 -","4","1","","Eklund, Ann-Marie; Forsblom, Ingrid; Berg, Jan-Eric; Damberg, Charlotta; Wahlberg, Inger","Tobacco Chemistry. 83. Four New Cyclized Cembranoids from Tobacco","Acta Chemica Scandinavica","1998","52","","1254","1262","10.3891/acta.chem.scand.52-1254","","x-ray","1.54184","CuKα","","","0.051","","","0.054","0.057","","","","","","1.142","","","","has coordinates","246814","2020-10-21","18:00:00",""
"1557039","14.419","0.0018","15.8566","0.0011","17.355","0.0043","90","","90","","90","","3968","1.1","","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O4 -","- C20 O4 -","- C160 O32 -","8","2","","Eklund, Ann-Marie; Forsblom, Ingrid; Berg, Jan-Eric; Damberg, Charlotta; Wahlberg, Inger","Tobacco Chemistry. 83. Four New Cyclized Cembranoids from Tobacco","Acta Chemica Scandinavica","1998","52","","1254","1262","10.3891/acta.chem.scand.52-1254","","x-ray","1.54184","CuKα","","","0.061","","","0.062","0.071","","","","","","0.996","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1557045","5.3182","0.0004","10.94","0.0007","23.9705","0.0016","90","","90","","90","","1394.63","0.17","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O2 -","- C17 H14 Cl N O2 -","- C68 H56 Cl4 N4 O8 -","4","1","","Burg, Finn; Breitenlechner, Stefan; Jandl, Christian; Bach, Thorsten","Enantioselective oxygenation of exocyclic methylene groups by a manganese porphyrin catalyst with a chiral recognition site","Chemical Science","2020","11","8","2121","2129","10.1039/C9SC06089H","","x-ray","0.71073","MoKα","","0.027","0.0268","","","0.0737","0.0741","","","","","","1.078","","","","has coordinates","257303","2020-10-21","18:00:00",""
"1557080","10.3193","0.0001","10.5258","0.0001","18.2046","0.0002","90","","90","","90","","1977.36","0.03","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.0292","0.0282","","","0.0695","0.0702","","","","","","1.041","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557081","5.909","0.0001","12.8175","0.0002","27.4929","0.0004","90","","90","","90","","2082.27","0.06","120","2","120","2","","","","","","","petroleum ether, EtOAc","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.0243","0.0234","","","0.0577","0.0583","","","","","","1.06","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557092","21.956","0.002","22.554","0.002","25.737","0.003","90","","90","","90","","12745","2","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H102 K N3 O12 Si6 Tm -","- C42 H102 K N3 O12 Si6 Tm -","- C336 H816 K8 N24 O96 Si48 Tm8 -","8","2","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0941","0.0522","","","0.091","0.1048","","","","","","1.009","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557109","6.9063","0.0002","7.9318","0.0002","30.157","0.0006","90","","90","","90","","1651.98","0.07","173","0.02","173","0.02","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 I N2 -","- C17 H18 I N2 -","- C68 H72 I4 N8 -","4","1","","Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang","A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells","Chemical Science","2020","11","3","661","670","10.1039/C9SC05875C","","x-ray","1.54184","CuKα","","0.058","0.0518","","","0.1385","0.1451","","","","","","1.045","","","","has coordinates","257424","2020-10-21","18:00:00",""
"1557115","11.3659","0.0004","11.9259","0.0004","17.9314","0.0006","90","","90","","90","","2430.58","0.14","153","2","153.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 O2 -","- C33 H26 O2 -","- C132 H104 O8 -","4","1","","Liu, Xihong; Zhang, Jingying; Bai, Lutao; Wang, Linqing; Yang, Dongxu; Wang, Rui","Catalytic asymmetric multiple dearomatizations of phenols enabled by a cascade 1,8-addition and Diels‒Alder reaction","Chemical Science","2020","11","3","671","676","10.1039/C9SC05320D","","","1.54178","CuKα","","0.0273","0.0265","","","0.0655","0.0663","","","","","","1.08","","","","has coordinates","257429","2020-10-21","18:00:00",""
"1557123","8.6977","0.0004","9.9164","0.0004","20.6241","0.0009","90","","90","","90","","1778.83","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0795","0.0511","","","0.1017","0.114","","","","","","1.04","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557139","6.8215","0.0006","10.0565","0.0008","24.1425","0.0019","90","","90","","90","","1656.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai","Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00889","","","1.54178","CuKα","","0.0371","0.0368","","","0.0986","0.099","","","","","","1.113","","","","has coordinates","247157","2020-10-21","18:00:00",""
"1557150","8.0096","0.0008","12.0536","0.0013","28.063","0.004","90","","90","","90","","2709.3","0.6","","","295.7","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O10 -","- C28 N O10 -","- C112 N4 O40 -","4","1","","Marthi, Katalin; Larsen, Sine; Acs, Maria; Balint, Jozsef; Fogassy, Elemer","Optical Resolution of 2-(2'-Hydroxyethylamino)-1-phenylethanol, and the Crystal Structures of Two Polymorphic Modifications of the (2R,3R)-O,O'-Dibenzoyl Hydrogen Tartrate Salt of the (S)-(+)-Enantiomer","Acta Chemica Scandinavica","1997","51","","367","378","10.3891/acta.chem.scand.51-0367","","x-ray","1.54184","CuKα","","","0.0501","","","","0.1399","","","","","","1.059","","","","has coordinates","247249","2020-10-21","18:00:00",""
"1557184","8.4194","0.0002","8.5433","0.0002","19.1641","0.0005","90","","90","","90","","1378.46","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","1","","Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing","Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b01721","","","1.54178","CuKα","","0.0256","0.0255","","","0.0625","0.0626","","","","","","1.073","","","","has coordinates","247352","2020-10-21","18:00:00",""
"1557186","5.8178","0.0003","16.9835","0.001","28.2863","0.0017","90","","90","","90","","2794.9","0.3","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C120 H112 N32 O16 -","8","2","","Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing","Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b01721","","","1.54178","CuKα","","0.0395","0.0354","","","0.0814","0.0845","","","","","","1.072","","","","has coordinates","247354","2020-10-21","18:00:00",""
"1557203","8.0315","0.0001","8.3527","0.0002","27.8078","0.0005","90","","90","","90","","1865.48","0.06","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O6 -","- C21 H26 O6 -","- C84 H104 O24 -","4","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0371","0.0359","","","0.0938","0.0945","","","","","","1.044","","","","has coordinates","247418","2020-10-21","18:00:00",""
"1557204","7.77753","0.00005","10.89287","0.00006","25.97545","0.00015","90","","90","","90","","2200.63","0.02","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O10 -","- C24 H26 O10 -","- C96 H104 O40 -","4","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0279","0.0267","","","0.0723","0.0795","","","","","","1.159","","","","has coordinates","247419","2020-10-21","18:00:00",""
"1557205","7.9019","0.0001","10.2955","0.0001","25.9952","0.0004","90","","90","","90","","2114.81","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O8 -","- C23 H28 O8 -","- C92 H112 O32 -","4","1","","Wang, Rong; Fan, Run-Zhu; Ni, Fu-Qiang; Sang, Jun; Xie, Xing-Lin; Luo, Si-Yuan; Tang, Gui-Hua; Yin, Sheng","19-nor-, 20-nor-, and tetranor-Halimane-Type Furanoditerpenoids from Croton crassifolius","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00634","","x-ray","1.54184","CuKα","","0.0368","0.0353","","","0.0976","0.0988","","","","","","1.106","","","","has coordinates","247420","2020-10-21","18:00:00",""
"1557263","9.5439","0.0002","10.5734","0.0002","17.3218","0.0003","90","","90","","90","","1747.97","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Groves, Alistair; Sun, Jinwei; Parke, Hal R. I.; Callingham, Michael; Argent, Stephen P.; Taylor, Laurence J.; Lam, Hon Wai","Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(i) migration","Chemical Science","2020","11","10","2759","2764","10.1039/C9SC06309A","","x-ray","1.54184","CuKα","","0.0511","0.0499","","","0.1346","0.1384","","","","","","1.132","","","","has coordinates","257292","2020-10-21","18:00:00",""
"1557298","7.7012","0.0002","7.7746","0.0002","12.6751","0.0004","90","","90","","90","","758.91","0.04","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0287","0.0283","","","0.0804","0.081","","","","","","1.046","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557300","5.6107","0.0001","9.1858","0.0002","12.5998","0.0003","90","","90","","90","","649.38","0.02","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 O5 -","- C5 H10 O5 -","- C20 H40 O20 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0308","0.0302","","","0.1027","0.1031","","","","","","0.994","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557301","8.091","0.002","9.212","0.002","10.056","0.002","90","","90","","90","","749.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0714","0.0656","","","0.1799","0.1864","","","","","","1.327","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557313","10.5518","0.0003","16.1297","0.0005","17.0893","0.0005","90","","90","","90","","2908.55","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O5 -","- C30 H44 O5 -","- C120 H176 O20 -","4","1","","Ye, Yan-Song; Li, Wen-Yan; Du, Shu-Zong; Yang, Jian; Nian, Yin; Xu, Gang","Congenetic hybrids derived from dearomatized isoprenylated acylphloroglucinol with opposite effects on Ca<sub>v</sub>3.1 low voltage-gated Ca<sup>2+</sup> channel.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02056","","","1.54178","CuKα","","0.0305","0.0302","","","0.0784","0.0787","","","","","","1.07","","","","has coordinates","248138","2020-10-21","18:00:00",""
"1557314","9.4737","0.0002","15.6173","0.0003","18.4421","0.0004","90","","90","","90","","2728.58","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C132 H160 O16 -","4","1","","Ye, Yan-Song; Li, Wen-Yan; Du, Shu-Zong; Yang, Jian; Nian, Yin; Xu, Gang","Congenetic hybrids derived from dearomatized isoprenylated acylphloroglucinol with opposite effects on Ca<sub>v</sub>3.1 low voltage-gated Ca<sup>2+</sup> channel.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.9b02056","","","1.54178","CuKα","","0.0291","0.0291","","","0.0754","0.0754","","","","","","1.07","","","","has coordinates","248139","2020-10-21","18:00:00",""
"1557326","12.721","0.004","17.073","0.003","18.26","0.03","90","","90","","90","","3966","7","","","122","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","A-cisbeta-[Co(acac)(ch-PNNP)](C1O4)2","","","- C39 H47 Cl2 Co N2 O10 P2 -","- C39 Cl2 Co N2 O10 P2 -","- C156 Cl8 Co4 N8 O40 P8 -","4","1","","Atoh, Masamichi; Sorensen, Henning Osholm; Andersen, Peter","Synthesis and Stereochemistry of Cobalt(III) Complexes with the New Optically Active Phosphine Ligand, N,N'-Bis[2-(diphenylphosphanyl)ethyl]-(1R,2R)-cyclohexane-1,2-diamine (ch-PNNP). Crystal Structure of Lambda-Cisbeta-[Co(acac)(ch-PNNP)](ClO4)2","Acta Chemica Scandinavica","1997","51","","1169","1177","10.3891/acta.chem.scand.51-1169","","x-ray","0.71073","MoKα","","","0.0612","","","0.1349","","","","","","","1.441","","","","has coordinates","248230","2020-10-21","18:00:00",""
"1557339","5.3562","0.0006","13.293","0.002","16.927","0.002","90","","90","","90","","1205.2","0.3","","","122","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-Methoxyphenyl Phenyl Selenoxide","","","- C13 H14 O3 Se -","- C13 O3 Se -","- C52 O12 Se4 -","4","1","","Stuhr-Hansen, Nicolai; Sorensen, Henning Osholm; Henriksen, Lars; Larsen, Sine","Structural Characterisation of Chiral 4-Methoxyphenyl Phenyl Selenoxide","Acta Chemica Scandinavica","1997","51","","1186","1191","10.3891/acta.chem.scand.51-1186","","x-ray","1.54184","CuKα","","","0.0205","","","0.0478","","","","","","","2.346","","","","has coordinates","248290","2020-10-21","18:00:00",""
"1557341","8.5161","0.0005","10.575","0.0006","15.9557","0.0009","90","","90","","90","","1436.93","0.14","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl0 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Lin, Qianchi; Hu, Bowen; Xu, Xi; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N′-dioxide/Mg(OTf)2 complex-catalyzed asymmetric [2,3]-rearrangement of in situ generated ammonium salts","Chemical Science","2020","11","11","3068","3073","10.1039/C9SC06342K","","","1.54178","CuKα","","0.0314","0.0313","","","0.0922","0.0922","","","","","","1.024","","","","has coordinates","257407","2020-10-21","18:00:00",""
"1557353","8.7074","0.0002","11.7878","0.0003","26.4646","0.0006","90","","90","","90","","2716.36","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 O7 -","- C30 H44 O7 -","- C120 H176 O28 -","4","1","","Huang, Yanjie; Li, Xian; Peng, Xing-Rong; Adegoke, Adelakum Tiwalade; Chen, Jian-Chao; Su, Hai-Guo; Hu, Gui-Lin; Wei, Gang; Qiu, Ming-Hua","NMR-based Structural Classification, Identification, and Quantification of Triterpenoids from Edible Mushroom Ganoderma resinaceum.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.9b07791","","","1.54178","CuKα","","0.0479","0.0415","","","0.1126","0.119","","","","","","0.893","","","","has coordinates","248347","2020-10-21","18:00:00",""
"1557363","8.945","0.002","10.644","0.002","22.458","0.005","90","","90","","90","","2138.2","0.8","","","136","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(2,2-Dicyano-1-methylethenyl)benzoic acid","","","- C12 H8 N2 O2 -","- C12 N2 O2 -","- C96 N16 O16 -","8","2","","Romming, Christian; Kolsaker, Per; Wiberg, Are; Skjetne, Tore","Atropisomerism in 2-(2,2-Dicyano-1-methylethenyl)benzoic Acid and 3-(2,2-Dicyano-1-methylethenyl)thiophene-2-carboxylic Acid Studied by Solid-State 13C NMR Spectroscopy and X-Ray Crystallography","Acta Chemica Scandinavica","1996","50","","48","53","10.3891/acta.chem.scand.50-0048","","x-ray","0.71069","MoKα","","","0.052","","","0.038","","","","","","","1.59","","","","has coordinates","248365","2020-10-21","18:00:00",""
"1557423","6.786","0.001","11.817","0.005","16.18","0.002","90","","90","","90","","1297.5","0.6","","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Methoxy-4-methyl-r-3-nitro-c-6-trinitro-methylcyclohexa-1,4-diene","","","- C9 H10 N4 O9 -","- C9 N4 O8 -","- C36 N16 O32 -","4","1","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Robinson, Ward T.","Photochemical Nitration by Tetranitromethane. Part XXVII. Adduct Formation in the Photochemical Reaction of 4-Methylanisole. Solvent and Temperature Effects on the Regiochemistry of Reaction of the Radical Cation of 4-Methylanisole","Acta Chemica Scandinavica","1996","50","","122","131","10.3891/acta.chem.scand.50-0122","","x-ray","0.71073","MoKα","","","0.028","","","0.066","","","","","","","","","","","has coordinates","248588","2020-10-21","18:00:00",""
"1557433","7.6742","0.0008","7.6742","0.0008","28.114","0.006","90","","90","","90","","1655.7","0.4","","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dibromobis(2,4-dimethylpyridine)cobalt(II)","","","- C14 H18 Br2 Co N2 -","- C14 Br2 Co N2 -","- C56 Br8 Co4 N8 -","4","1","","Kansikas, Jarno; Leskela, Markku; Kenessey, Gabor; Wadsten, Tommy; Liptay, Gyorgy","Pyridine-Type Complexes of Transition-Metal Halides. IX. Preparation and Characterization of 2,4- and 3,4-Dimethylpyridine Complexes of Cobalt(II) Bromide: the Crystal Structure of Dibromobis(2,4-dimethylpyridine)cobalt(II) and Bromotetrakis(3,4-dimethylpyridine)cobalt(II) Bromide","Acta Chemica Scandinavica","1996","50","","267","274","10.3891/acta.chem.scand.50-0267","","x-ray","0.71069","MoKα","","","0.0638","","","0.0861","","","","","","","0.73","","","","has coordinates","248648","2020-10-21","18:00:00",""
"1557501","11.5406","0.0002","18.5416","0.0003","18.7269","0.0003","90","","90","","90","","4007.2","0.11","123","","123","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Br2 F6 N4 O6 P2 Pt S2 -","- C30 H34 Br2 F6 N4 O6 P2 Pt S2 -","- C120 H136 Br8 F24 N16 O24 P8 Pt4 S8 -","4","1","","Marumoto, Manabu; Sotani, Taichi; Miyagi, Yu; Yajima, Tatsuo; Sano, Natsuhiro; Sanda, Fumio","Synthesis of Platinum-Containing Conjugated Polymers Having QuinoxP* and Bipyridine Ligands. Chirality Transfer from the Phosphine Ligand to the Polymer Backbone","Macromolecules","2020","53","6","2031","2038","10.1021/acs.macromol.0c00096","","","0.71075","MoKα","","0.0303","0.0273","","","0.0629","0.0642","","","","","","1.02","","","","has coordinates","257166","2020-10-21","18:00:00",""
"1557522","7.72414","0.00016","9.75163","0.00017","26.1754","0.0004","90","","90","","90","","1971.61","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O11 -","- C19 H20 O11 -","- C76 H80 O44 -","4","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","1.54184","CuKα","","0.0383","0.0379","","","0.1003","0.1008","","","","","","1.07","","","","has coordinates","249148","2020-10-21","18:00:00",""
"1557524","8.40725","0.00014","9.73467","0.00014","25.8797","0.0004","90","","90","","90","","2118.04","0.06","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O11 -","- C20 H24 O11 -","- C80 H96 O44 -","4","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","1.54184","CuKα","","0.0355","0.033","","","0.0825","0.0838","","","","","","1.126","","","","has coordinates","249150","2020-10-21","18:00:00",""
"1557526","7.624","0.0002","9.8567","0.0003","26.9415","0.0015","90","","90","","90","","2024.59","0.14","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O11 -","- C20 H22 O11 -","- C80 H88 O44 -","4","1","","Yang, Zi-Ni; Su, Bao-Jun; Wang, Ya-Qi; Liao, Hai-Bing; Chen, Zhen-Feng; Liang, Dong","Isolation, Absolute Configuration, and Biological Activities of Chebulic Acid and Brevifolincarboxylic Acid Derivatives from Euphorbia hirta","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00877","","x-ray","1.54184","CuKα","","0.0474","0.0366","","","0.0815","0.0854","","","","","","0.972","","","","has coordinates","249152","2020-10-21","18:00:00",""
"1557571","10.9162","0.0011","11.3807","0.0011","31.809","0.003","90","","90","","90","","3951.8","0.7","150","2","150.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 N4 O11 -","- C44 H44 N4 O11 -","- C176 H176 N16 O44 -","4","1","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.0762","0.0591","","","0.1526","0.1645","","","","","","1.063","","","","has coordinates,has disorder","257348","2020-10-21","18:00:00",""
"1557580","6.4901","0.0002","13.5853","0.0004","17.2054","0.0006","90","","90","","90","","1517","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N4 O3 S -","- C15 H12 N4 O3 S -","- C60 H48 N16 O12 S4 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0369","0.0332","","","0.0885","0.0922","","","","","","1.055","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557581","6.2023","0.0002","15.1707","0.0004","23.3424","0.0007","90","","90","","90","","2196.36","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0508","0.0391","","","0.1005","0.1092","","","","","","1.046","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557583","10.3148","0.0002","11.9114","0.0003","14.6673","0.0003","90","","90","","90","","1802.08","0.07","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F N4 O3 -","- C19 H15 F N4 O3 -","- C76 H60 F4 N16 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","1.54178","CuKα","","0.0747","0.0691","","","0.2196","0.2314","","","","","","1.048","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557584","6.6447","0.0005","14.3101","0.0011","22.5008","0.0017","90","","90","","90","","2139.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0682","0.043","","","0.0935","0.1084","","","","","","0.996","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557586","5.8675","0.0003","12.4208","0.0007","24.4967","0.0014","90","","90","","90","","1785.3","0.17","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br Cl0 N O2 -","- C22 H18 Br N O2 -","- C88 H72 Br4 N4 O8 -","4","1","","Shen, Bin; He, Qianwen; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","A chiral cobalt(ii) complex catalyzed enantioselective aza-Piancatelli rearrangement/Diels‒Alder cascade reaction","Chemical Science","2020","11","15","3862","3867","10.1039/D0SC00542H","","","0.71073","MoKα","","0.0374","0.03","","","0.066","0.0705","","","","","","1.04","","","","has coordinates","257386","2020-10-21","18:00:00",""
"1557596","9.8205","0.0009","14.0434","0.0011","26.706","0.002","90","","90","","90","","3683.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 B Cl Co N4 -","- C41 B Cl Co N4 -","- C164 B4 Cl4 Co4 N16 -","4","1","","Anandababu, Karunanithi; Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Single-step benzene hydroxylation by cobalt(ii) catalysts via a cobalt(iii)-hydroperoxo intermediate","Catalysis Science & Technology","2020","10","8","2540","2548","10.1039/C9CY02601K","","","0.71073","MoKα","","0.0925","0.0828","","","0.2308","0.2458","","","","","","1.111","","","","has coordinates","257208","2020-10-21","18:00:00",""
"1557598","10.186","0.00006","11.3558","0.00007","15.5296","0.0001","90","","90","","90","","1796.31","0.019","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F3 N O4 -","- C18 H18 F3 N O4 -","- C72 H72 F12 N4 O16 -","4","1","","Zhang, Shuyue; Greenhalgh, Mark D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Tandem sequential catalytic enantioselective synthesis of highly-functionalised tetrahydroindolizine derivatives","Chemical Science","2020","11","15","3885","3892","10.1039/D0SC00432D","","","1.54184","CuKα","","0.0374","0.0371","","","0.1016","0.102","","","","","","1.064","","","","has coordinates","257379","2020-10-21","18:00:00",""
"1557611","9.942","0.002","22.986","0.005","26.512","0.005","90","","90","","90","","6059","2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate","24,27-Dibenzyl-15,18-bis(butan-2-yl)-12,21-bis(2-methylpropyl)-9-(propan-2-yl)-1,7,10,13,16,19,22,25,28-nonaazatricyclo[28.3.0.0^3,7^]tritriacontane-2,8,11,14,17,20,23,26,29-nonone dimethyl sulfoxide monosolvate","","- C59 H90 N9 O10 S -","- C59 H90 N9 O10 S -","- C236 H360 N36 O40 S4 -","4","1","LH4052","Purdy, Sarah Kendra; Spasyuk, Denis; Chitanda, Jackson Mulenga; Reaney, Martin J. T.","[1‒9-NαC]-Linusorb B3 (Cyclolinopeptide A) dimethyl sulfoxide monosolvate","IUCrData","2020","5","3","x200318","","10.1107/S2414314620003181","","","0.68882","synchrotron","","0.0446","0.0394","","","0.0977","0.1006","","","","","","1.038","","","","has coordinates,has Fobs","249390","2020-10-21","18:00:00",""
"1557625","9.1199","0.0002","23.4191","0.0006","23.6083","0.0007","90","","90","","90","","5042.3","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","compound 1","","","- C48 H55 Au F6 N4 O11 S2 -","- C48 H55 Au F6 N4 O11 S2 -","- C192 H220 Au4 F24 N16 O44 S8 -","4","1","","Reid, Jolene P.; Hu, Mingyou; Ito, Susumu; Huang, Banruo; Hong, Cynthia M.; Xiang, Hengye; Sigman, Matthew S.; Toste, F. Dean","Strategies for remote enantiocontrol in chiral gold(iii) complexes applied to catalytic enantioselective γ,δ-Diels‒Alder reactions","Chemical Science","2020","11","25","6450","6456","10.1039/D0SC00497A","","x-ray","0.71073","MoKα","","0.0424","0.0309","","","0.0512","0.0529","","","","","","1.033","","","","has coordinates","257338","2020-10-21","18:00:00",""
"1557651","21.206","0.0009","22.6446","0.001","23.1321","0.0011","90","","90","","90","","11108.1","0.9","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64.38 H58.38 Fe3 Ho Li3 N6.88 -","- C64.375 H58.375 Fe3 Ho Li3 N6.875 -","- C515 H467 Fe24 Ho8 Li24 N55 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.092","0.0494","","","0.0932","0.1135","","","","","","1.018","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557680","8.8556","0.0002","17.4144","0.0004","23.9796","0.0005","90","","90","","90","","3698.01","0.14","123.05","0.1","123.05","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H42 N7 Na Zn -","- C39 H42 N7 Na Zn -","- C156 H168 N28 Na4 Zn4 -","4","1","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","x-ray","1.54184","CuKα","","0.0603","0.04","","","0.0824","0.0871","","","","","","0.883","","","","has coordinates","257340","2020-10-21","18:00:00",""
"1557703","13.5605","0.0005","16.7746","0.0006","17.6055","0.0007","90","","90","","90","","4004.8","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H47 N O13 -","- C41 H47 N O13 -","- C164 H188 N4 O52 -","4","1","","Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong","Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis.","Journal of natural products","2020","83","4","1005","1017","10.1021/acs.jnatprod.9b00929","","x-ray","1.54184","CuKα","","0.0651","0.0552","","","0.1468","0.1745","","","","","","1.09","","","","has coordinates","251469","2020-10-21","18:00:00",""
"1557704","11.5632","0.0001","16.5034","0.0001","18.9525","0.0001","90","","90","","90","","3616.75","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 O13 -","- C40 H44 O13 -","- C160 H176 O52 -","4","1","","Yuan, Shengheng; Hua, Pei; Zhao, Chao; Zhou, Huihao; Xu, Jiake; Xu, Jun; Gu, Qiong","Jatrophane Diterpenoids from <i>Euphorbia esula</i> as Inhibitors of RANKL-Induced Osteoclastogenesis.","Journal of natural products","2020","83","4","1005","1017","10.1021/acs.jnatprod.9b00929","","x-ray","1.54184","CuKα","","0.0307","0.0296","","","0.0751","0.0761","","","","","","1.04","","","","has coordinates","251469","2020-10-21","18:00:00",""
"1557721","9.2868","0.0002","18.0311","0.0003","22.9054","0.0004","90","","90","","90","","3835.54","0.12","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 F6 Mn N7 O7 S2 -","- C32 H41 F6 Mn N7 O7 S2 -","- C128 H164 F24 Mn4 N28 O28 S8 -","4","1","","Beaver, Matthew G.; Shi, Xianqing; Riedel, Jan; Patel, Parth; Zeng, Alicia; Corbett, Michael T.; Robinson, Jo Anna; Parsons, Andrew T.; Cui, Sheng; Baucom, Kyle; Lovette, Michael A.; Içten, Elçin; Brown, Derek B.; Allian, Ayman; Flick, Tawnya G.; Chen, Wendy; Yang, Ning; Walker, Shawn D.","Continuous Process Improvement in the Manufacture of Carfilzomib, Part 2: An Improved Process for Synthesis of the Epoxyketone Warhead","Organic Process Research & Development","2020","24","4","490","499","10.1021/acs.oprd.0c00052","","","0.71073","MoKα","","0.075","0.0543","","","0.1332","0.148","","","","","","1.056","","","","has coordinates,has disorder","257168","2020-10-21","18:00:00",""
"1557735","5.402","0.003","16.807","0.005","19.814","0.006","90","","90","","90","","1798.9","1.3","","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Phenyl-2-phenylthio-2-(tetrahydropyran-2-ylthio)ethanol","","","- C19 H22 O2 S2 -","- C19 O2 S2 -","- C76 O8 S8 -","4","1","","Kansikas, Jarno; Sipila, Kaija; Hase, Tapio","Synthesis and Crystal Structure of Intramolecularly Hydrogen-Bonded 1-Phenyl-2-phenylthio-2-(tetrahydropyran-2-ylthio)ethanol","Acta Chemica Scandinavica","1996","50","","1147","1152","10.3891/acta.chem.scand.50-1147","","x-ray","0.71073","MoKα","","0.1199","0.0583","","","0.0457","0.0511","","","","","","1.51","","","","has coordinates","250126","2020-10-21","18:00:00",""
"1557749","7.3222","0.0002","16.3645","0.0005","22.9119","0.0006","90","","90","","90","","2745.4","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","((S)-3-(2,6-diethylbenzyl)-1-(5-(trifluoromethyl)pyridin-2-yl)-3,4-dihydroisoquinoline) palladium(II) chloride","","- C27 H27 Cl4 F3 N2 Pd -","- C27 H27 Cl4 F3 N2 Pd -","- C108 H108 Cl16 F12 N8 Pd4 -","4","1","","Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon","Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands","Chemical Science","2020","11","18","4602","4607","10.1039/D0SC00412J","","","0.71073","MoKα","","0.0676","0.0441","","","0.0932","0.1018","","","","","","0.996","","","","has coordinates","257389","2020-10-21","18:00:00",""
"1557778","6.831","0.001","11.481","0.002","21.788","0.006","90","","90","","90","","1708.8","0.6","","","140","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-Hydroxy-7-oxabicyclo[4.3.0]non-4-en-8-ones","","","- C18 H17 F3 O5 -","- C18 F3 O5 -","- C72 F12 O20 -","4","1","","Hibbs, David E.; Hursthouse, Michael B.; Knutsen, Lars J. S.; Malik, K. M. Abdul; Olivo, Horacio F.; Roberts, Stanley M.; Varley, David R.; Xiong, Hui","Preparation and Determination of the Absolute Configuration of Optically Active 9-Hydroxy-7-oxabicyclo[4.3.0]non-4-en-8-ones","Acta Chemica Scandinavica","1995","49","","122","127","10.3891/acta.chem.scand.49-0122","","x-ray","0.71069","MoKα","","0.0384","0.0323","","","0.0673","0.0695","","","","","","0.927","","","","has coordinates","250666","2020-10-21","18:00:00",""
"1557781","10.245","0.002","13.647","0.002","18.168","","90","","90","","90","","2540.1","0.6","","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Methoxy-4-trinitromethylnaphthalene","","","- C12 H9 N3 O7 -","- C11.5 N3 O7 -","- C92 N24 O56 -","8","2","","Butts, Craig P.; Eberson, Lennart; Hartshorn, Michael P.; Persson, Ola; Robinson, Ward T.","Photochemical Nitration by Tetranitromethane. Part XXII. Adducts as Precursors of Nitro Substitution Products from the Photolysis of 1-Methoxynaphthalene‒Tetranitromethane, Dehydrodimer Formation and the Regiochemistry of Trinitromethanide Ion Attack on the Radical Cation of 1-Methoxynaphthalene","Acta Chemica Scandinavica","1995","49","","253","264","10.3891/acta.chem.scand.49-0253","","x-ray","0.71069","MoKα","","","0.037","","","","0.078","","","","","","","","","","has coordinates","250670","2020-10-21","18:00:00",""
"1557786","6.7541","0.0008","13.6991","0.0017","21.781","0.003","90","","90","","90","","2015.3","0.4","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 O5 -","- C21 H36 O5 -","- C84 H144 O20 -","4","1","","Gao, Yu-Qi; Li, Ruoxin; Wang, Weiwei; Lee, Shoei-Sheng; Gao, Jin-Ming","Microbial Transformations of two Beyerane-type Diterpenes by Cunninghamella echinulata.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.0c00592","","","0.71073","MoKα","","0.0471","0.0418","","","0.1184","0.1238","","","","","","1.065","","","","has coordinates","250724","2020-10-21","18:00:00",""
"1557787","8.0964","0.0009","14.0282","0.0013","17.5127","0.0017","90","","90","","90","","1989.1","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 O5 -","- C21 H36 O5 -","- C84 H144 O20 -","4","1","","Gao, Yu-Qi; Li, Ruoxin; Wang, Weiwei; Lee, Shoei-Sheng; Gao, Jin-Ming","Microbial Transformations of two Beyerane-type Diterpenes by Cunninghamella echinulata.","Journal of agricultural and food chemistry","2020","","","","","10.1021/acs.jafc.0c00592","","","0.71073","MoKα","","0.0561","0.0366","","","0.0806","0.0949","","","","","","1.078","","","","has coordinates","250725","2020-10-21","18:00:00",""
"1557802","7.01084","0.00018","10.9717","0.0006","17.1758","0.0006","90","","90","","90","","1321.18","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Xue, Jinghua; Li, Hanxiang; Wu, Ping; Xu, Liangxiong; Yuan, Yunfei; Wei, Xiaoyi","Bioactive Polyhydroxanthones from Penicillium purpurogenum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01071","","","1.54184","CuKα","","0.03","0.0291","","","0.0739","0.0751","","","","","","1.087","","","","has coordinates","250809","2020-10-21","18:00:00",""
"1557805","4.9936","0.0008","10.8879","0.0016","23.631","0.003","90","","90","","90","","1284.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","S-m-ClMA","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0932","0.0501","","","0.08","0.0921","","","","","","0.959","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557806","7.5806","0.0009","7.9701","0.0011","22.102","0.003","90","","90","","90","","1335.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","R-p-Ma","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0593","0.0424","","","0.0884","0.0953","","","","","","1.026","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557807","5.3167","0.0002","14.4015","0.0004","17.1898","0.0005","90","","90","","90","","1316.2","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-MandAcetona","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Cobos, Katherine; Rodríguez, Rafael; Domarco, Olaya; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Félix","Polymeric Helical Structures à la Carte by Rational Design of Monomers","Macromolecules","2020","53","8","3182","3193","10.1021/acs.macromol.0c00085","","x-ray","0.71073","MoKα","","0.0344","0.0304","","","0.0791","0.0818","","","","","","1.07","","","","has coordinates","257165","2020-10-21","18:00:00",""
"1557821","7.2655","0.0001","10.1927","0.0001","24.3238","0.0003","90","","90","","90","","1801.3","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O8 -","- C20 H28 O8 -","- C80 H112 O32 -","4","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","","1.54184","CuKα","","0.0318","0.0315","","","0.0832","0.0836","","","","","","1.072","","","","has coordinates","250943","2020-10-21","18:00:00",""
"1557823","10.2039","0.0002","13.7078","0.0005","24.7447","0.0007","90","","90","","90","","3461.12","0.17","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H37 Cl3 O9 -","- C29 H37 Cl3 O9 -","- C116 H148 Cl12 O36 -","4","1","","Yang, Wei-Qun; Shao, Xue-Hua; Deng, Fang; Hu, Li-Jun; Xiong, Yu; Huang, Xiao-Jun; Fan, Chun-Lin; Jiang, Ren-Wang; Ye, Wen-Cai; Wang, Ying","Unprecedented Quassinoids from Eurycoma longifolia: Biogenetic Evidence and Antifeedant Effects","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00244","","","1.54184","CuKα","","0.0935","0.0838","","","0.2269","0.2396","","","","","","1.062","","","","has coordinates","250945","2020-10-21","18:00:00",""
"1557857","7.4807","0.0002","11.5246","0.0003","31.2716","0.0009","90","","90","","90","","2695.99","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","","Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01177","","","1.54178","CuKα","","0.0575","0.0558","","","0.1491","0.1498","","","","","","1.031","","","","has coordinates","251051","2020-10-21","18:00:00",""
"1557885","13.1677","0.0004","15.9113","0.0004","20.4458","0.0006","90","","90","","90","","4283.7","0.2","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20.5 H28 Cl O7 -","- C20.5 H28 Cl O7 -","- C164 H224 Cl8 O56 -","8","2","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.1315","0.1123","","","0.2542","0.2631","","","","","","1.334","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1557891","5.0563","0.0001","19.3072","0.0004","19.3617","0.0004","90","","90","","90","","1890.15","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl O8 -","- C19 H23 Cl O8 -","- C76 H92 Cl4 O32 -","4","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.0505","0.0449","","","0.1159","0.1195","","","","","","1.055","","","","has coordinates","251106","2020-10-21","18:00:00",""
"1557892","8.4937","0.0002","13.9436","0.0003","16.0615","0.0003","90","","90","","90","","1902.21","0.07","297","2","297.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O8 -","- C18 H26 O8 -","- C72 H104 O32 -","4","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","","1.54178","CuKα","","0.042","0.0314","","","0.0875","0.1051","","","","","","1.177","","","","has coordinates","251107","2020-10-21","18:00:00",""
"1557893","5.53373","0.00007","14.7351","0.0002","23.2466","0.0004","90","","90","","90","","1895.53","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","","Zhou, Jia; Gao, Ying; Chang, Jin-Ling; Yu, Heng-Yi; Chen, Juan; Zhou, Ming; Meng, Xiang-Gao; Ruan, Han-Li","Resorcylic Acid Lactones from an Ilyonectria sp.","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b01167","","x-ray","1.54184","CuKα","","0.0402","0.0336","","","0.0842","0.0875","","","","","","1.055","","","","has coordinates","251108","2020-10-21","18:00:00",""
"1557916","9.0597","0.0003","9.4554","0.0004","21.1518","0.0008","90","","90","","90","","1811.93","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Liu, Ya-Pei; Dai, Quan; Wang, Wen-Xuan; He, Juan; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Psathyrins: Antibacterial Diterpenoids from <i>Psathyrella candolleana</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00269","","","1.54178","CuKα","","0.0393","0.0377","","","0.0982","0.1004","","","","","","1.035","","","","has coordinates","251181","2020-10-21","18:00:00",""
"1557928","9.3055","0.0016","10.3538","0.0015","18.151","0.003","90","","90","","90","","1748.8","0.5","150","","150","","","","","","","","synthesis as described","2","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0433","0.0359","","","0.087","0.0924","","","","","","1.029","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1557937","9.8333","0.0003","10.2552","0.0003","20.877","0.0007","90","","90","","90","","2105.29","0.11","150","2","149.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N3 O3 S2 -","- C20 H27 N3 O3 S2 -","- C80 H108 N12 O12 S8 -","4","1","","Zhai, Yi-Jie; Huo, Guang-Ming; Zhang, Qiang; Li, Ding; Wang, Da-Cheng; Qi, Jian-Zhao; Han, Wen-Bo; Gao, Jin-Ming","Phaeosphaones: Tyrosinase Inhibitory Thiodiketopiperazines from an Endophytic Phaeosphaeria fuckelii","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00046","","","1.54178","CuKα","","0.0394","0.0359","","","0.0879","0.0898","","","","","","1.067","","","","has coordinates","251238","2020-10-21","18:00:00",""
"1557957","10.489","0.003","11.677","0.006","19.466","0.006","90","","90","","90","","2384.2","1.6","","","138","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1'-(Ethyloxycarbonyloxy)-ethy1-5-acetylamino-3(N-methylacetylamino)-2,4,6- triiodobenzene carboxylate","","","- C17 H19 I3 N2 O7 -","- C17 I3 N2 O7 -","- C68 I12 N8 O28 -","4","1","","Tonnesen, Lisbeth Ehnebom; Fossheim, Rune; Klaveness, Jo; Pedersen, Berit Fjaertoft; Thomassen, Terje","Structural Studies of a Particulate X-Ray Contrast Agent: a Multi-Method Approach","Acta Chemica Scandinavica","1995","49","","625","631","10.3891/acta.chem.scand.49-0625","","x-ray","0.71069","MoKα","","","0.051","","","0.057","","","","","","","","","","","has coordinates","251305","2020-10-21","18:00:00",""
"1557986","5.896","0.002","11.486","0.001","18.016","0.003","90","","90","","90","","1220.1","0.5","","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Proline 2,5-Dihydroxybenzoic Acid (1/1)","","","- C12 H15 N O6 -","- C12 H15 N O6 -","- C48 H60 N4 O24 -","4","1","","Aakeroy, Christer B.; Bahra, Gurmit S.; Brown, Chris R.; Hitchcock, Peter B.; Patell, Yasmin; Seddon, Kenneth R.","L-Proline 2,5-Dihydroxybenzoic Acid (1/1): A Zwitterion Co-crystal","Acta Chemica Scandinavica","1995","49","","762","767","10.3891/acta.chem.scand.49-0762","","x-ray","0.71069","MoKα","","","0.039","","","0.044","","","","","","","","","","","has coordinates","251394","2020-10-21","18:00:00",""
"1558007","9.2448","0.0004","10.1376","0.0004","22.4575","0.0009","90","","90","","90","","2104.72","0.15","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","1","","Ma, Lie-Feng; Chen, Meng-Jia; Liang, Dong-E; Shi, Lin-Mei; Ying, You-Min; Shan, Wei-Guang; Li, Guo-Qiang; Zhan, Zha-Jun","<i>Streptomyces albogriseolus</i> SY67903 Produces Eunicellin Diterpenoids Structurally Similar to Terpenes of the Gorgonian <i>Muricella sibogae</i>, the Bacterial Source.","Journal of natural products","2020","83","5","1641","1645","10.1021/acs.jnatprod.0c00147","","","1.54178","CuKα","","0.0285","0.0283","","","0.0794","0.0796","","","","","","1.057","","","","has coordinates","252621","2020-10-21","18:00:00",""
"1558008","9.2746","0.0003","10.2656","0.0003","22.5834","0.0007","90","","90","","90","","2150.15","0.12","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O6 -","- C22 H34 O6 -","- C88 H136 O24 -","4","1","","Ma, Lie-Feng; Chen, Meng-Jia; Liang, Dong-E; Shi, Lin-Mei; Ying, You-Min; Shan, Wei-Guang; Li, Guo-Qiang; Zhan, Zha-Jun","<i>Streptomyces albogriseolus</i> SY67903 Produces Eunicellin Diterpenoids Structurally Similar to Terpenes of the Gorgonian <i>Muricella sibogae</i>, the Bacterial Source.","Journal of natural products","2020","83","5","1641","1645","10.1021/acs.jnatprod.0c00147","","","1.54178","CuKα","","0.0302","0.0301","","","0.0897","0.0898","","","","","","1.109","","","","has coordinates","252621","2020-10-21","18:00:00",""
"1558037","7.871","0.002","8.311","0.002","21.307","0.004","90","","90","","90","","1393.8","0.6","","","105","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","A(+)589-[Co(en)2(N-formyloxamato)]ClO4","","","- C7 H17 Cl Co N5 O8 -","- C7 H17 Cl Co N5 O8 -","- C28 H68 Cl4 Co4 N20 O32 -","4","1","","Grondahl, Lisbeth; Hammershoi, Anders; Hartshorn, Richard M.; Sargeson, Alan M.","Thionyl Chloride Oxidation of Chelated Glycinate in Bis(1,2-ethanediamine)glycinatocobalt(III): Syntheses of N,O-bound N-Formyl Oxamate and Thiooxamate","Acta Chemica Scandinavica","1995","49","","781","791","10.3891/acta.chem.scand.49-0781","","x-ray","0.71073","MoKα","","","0.03","","","0.033","","","","","","","","","","","has coordinates","251895","2020-10-21","18:00:00",""
"1558075","7.9439","0.0004","8.6162","0.0004","25.8718","0.0012","90","","90","","90","","1770.83","0.15","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Fe N O3 -","- C21 H21 Fe N O3 -","- C84 H84 Fe4 N4 O12 -","4","1","","Larin, Egor M.; Loup, Joachim; Polishchuk, Iuliia; Ross, Rachel J.; Whyte, Andrew; Lautens, Mark","Enantio- and diastereoselective conjugate borylation/Mannich cyclization","Chemical Science","2020","11","22","5716","5723","10.1039/D0SC02421J","","","0.71073","MoKα","","0.0249","0.0213","","","0.0519","0.0536","","","","","","1.052","","","","has coordinates","257296","2020-10-21","18:00:00",""
"1558087","7.1989","0.0006","7.2267","0.0007","13.0042","0.0013","90","","90","","90","","676.53","0.11","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","1","","Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang","Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows","Materials Horizons","2020","7","8","2105","2112","10.1039/D0MH00688B","","","1.54178","CuKα","","0.0386","0.0383","","","0.1041","0.1046","","","","","","1.119","","","","has coordinates","258153","2020-10-21","18:00:00",""
"1558091","6.3076","0.0004","9.549","0.0006","11.3951","0.0008","90","","90","","90","","686.34","0.08","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride","","- C5 H9 Cl N2 -","- C5 H9 Cl N2 -","- C20 H36 Cl4 N8 -","4","1","BV4030","Anderson, Grace; Mirjafari, Arsalan; Zeller, Matthias; Hillesheim, Patrick C.","2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride","IUCrData","2020","5","5","x200660","","10.1107/S2414314620006604","","","0.71073","MoKα","","0.0213","0.0194","","","0.0489","0.0499","","","","","","1.107","","","","has coordinates,has Fobs","252209","2020-10-21","18:00:00",""
"1558104","10.047","0.0009","11.0487","0.0007","24.242","0.0014","90","","90","","90","","2691","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 O5 -","- C29 H38 O5 -","- C116 H152 O20 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","x-ray","0.71073","MoKα","","0.1185","0.0652","","","0.1506","0.1814","","","","","","1.027","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558105","10.4833","0.0019","14.435","0.002","21.245","0.004","90","","90","","90","","3214.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O7 -","- C33 H37 N O7 -","- C132 H148 N4 O28 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","","0.71073","MoKα","","0.2473","0.0864","","","0.1593","0.2271","","","","","","1.032","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558134","5.5579","0.0002","7.7831","0.0002","25.2947","0.0007","90","","90","","90","","1094.19","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Zhao, Zhifei; Bagdi, Prasanta Ray; Yang, Shuang; Liu, Jinggong; Cotman, Andrej Emanuel; Xu, Weici; Fang, Xinqiang","Correction to Stereodivergent Access to Enantioenriched Epoxy Alcohols with Three Stereogenic Centers via Ruthenium-Catalyzed Transfer Hydrogenation","Organic Letters","2020","","","","","10.1021/acs.orglett.0c01610","","","1.54184","CuKα","","0.0322","0.0312","","","0.0801","0.081","","","","","","1.072","","","","has coordinates","252450","2020-10-21","18:00:00",""
"1558148","8.3643","0.0004","9.9485","0.0004","17.7102","0.0008","90","","90","","90","","1473.71","0.11","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","1","","Lydon, Christina A.; Mathivathanan, Logesh; Sanchez, Juanita; Dos Santos, Larissa A. H.; Sauvage, Thomas; Gunasekera, Sarath P.; Paul, Valerie J.; Berry, John P.","Eudesmacarbonate, a Eudesmane-Type Sesquiterpene from a Marine Filamentous Cyanobacterial Mat (Oscillatoriales) in the Florida Keys.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00203","","","0.71073","MoKα","","0.0634","0.044","","","0.0854","0.0925","","","","","","1.049","","","","has coordinates","252458","2020-10-21","18:00:00",""
"1558154","8.9043","0.0001","10.7948","0.0001","31.6319","0.0002","90","","90","","90","","3040.46","0.05","100","0.4","100","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C136 H136 N8 O24 S8 -","8","2","","Tao, Mengna; Tu, Youshao; Liu, Yu; Wu, Haihong; Liu, Lu; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization under mild conditions.","Chemical science","2020","11","24","6283","6288","10.1039/d0sc01391a","","x-ray","1.54184","CuKα","","0.0306","0.03","","","0.0748","0.0751","","","","","","1.036","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1558158","8.5365","0.0003","12.2999","0.0003","16.448","0.0005","90","","90","","90","","1727.01","0.09","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Seijo, Lorenzo; Ondet, Pierrick; Olivero, Sandra; Duñach, Elisabet","Heterogeneous catalysis for the tandem cyclisation of unsaturated alcohols","New Journal of Chemistry","2020","44","25","10479","10483","10.1039/D0NJ01857K","","x-ray","1.54184","CuKα","","0.0426","0.04","","","0.1049","0.1076","","","","","","1.099","","","","has coordinates","257786","2020-10-21","18:00:00",""
"1558162","8.4907","0.0001","9.263","0.0001","38.6476","0.0006","90","","90","","90","","3039.61","0.07","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 O10 -","- C32 H44 O10 -","- C128 H176 O40 -","4","1","","Yu, Jin-Hai; Zhang, Hua; Zhou, Bin; Zimbres, Flavia M.; Dalal, Seema; Liu, Qun-Fang; Cassera, Maria B.; Yue, Jian-Min","Limonoids from <i>Cipadessa baccifera</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00666","","","1.54178","CuKα","","0.0429","0.0406","","","0.11","0.1121","","","","","","1.026","","","","has coordinates","252502","2020-10-21","18:00:00",""
"1558183","9.1099","0.0002","24.1351","0.0009","34.1137","0.0011","90","","90","","90","","7500.5","0.4","150","0.02","150","0.02","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H84 Cl Cu N13 O12 Si -","- C53 H84 Cl Cu N13 O12 Si -","- C212 H336 Cl4 Cu4 N52 O48 Si4 -","4","1","","Peters, Anna D.; Borsley, Stefan; della Sala, Flavio; Cairns-Gibson, Dominic F.; Leonidou, Marios; Clayden, Jonathan; Whitehead, George F. S.; Vitorica-Yrzebal, Inigo; Takano, Eriko; Burthem, John; Cockroft, Scott Lee; Webb, Simon","Switchable foldamer ion channels with antibacterial activity","Chemical Science","2020","","","","","10.1039/D0SC02393K","","x-ray","1.54184","CuKα","","0.1081","0.0715","","","0.1715","0.1949","","","","","","1.052","","","","has coordinates,has disorder","252659","2020-10-21","18:00:00",""
"1558191","8.4502","0.0002","18.9557","0.0005","31.5231","0.0009","90","","90","","90","","5049.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O Sn -","- C30 H29 N O Sn -","- C240 H232 N8 O8 Sn8 -","8","2","","Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.","Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes","Inorganics","2020","8","5","35","","10.3390/inorganics8050035","","","0.71073","MoKα","","0.0449","0.0316","","","0.0485","0.0517","","","","","","0.987","","","","has coordinates","252942","2020-10-21","18:00:00",""
"1558275","9.6961","0.0003","10.2407","0.0003","23.6533","0.0008","90","","90","","90","","2348.65","0.13","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 B2 F8 N2 O2 -","- C22 H30 B2 F8 N2 O2 -","- C88 H120 B8 F32 N8 O8 -","4","1","","Turley, Andrew; Danos, Andrew; Prlj, Antonio; Monkman, Andrew P.; Curchod, Basile; McGonigal, Paul R.; Etherington, Marc Kenneth","Modulation of Charge Transfer by N-Alkylation to Control Photoluminescence Energy and Quantum Yield","Chemical Science","2020","","","","","10.1039/D0SC02460K","","x-ray","1.54178","CuKα","","0.0268","0.0256","","","0.0638","0.0651","","","","","","1.067","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1558288","9.1596","0.0009","9.9432","0.0009","17.9178","0.0016","90","","90","","90","","1631.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Li, Fengli; Lin, Shuang; Zhang, Sitian; Pan, Lifen; Chai, Chenwei; Su, Jun-Cheng; Yang, Beiye; Liu, Junjun; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Modified Fusicoccane-Type Diterpenoids from <i>Alternaria brassicicola</i>.","Journal of natural products","2020","83","6","1931","1938","10.1021/acs.jnatprod.0c00165","","","1.54178","CuKα","","0.032","0.0319","","","0.1016","0.1019","","","","","","0.955","","","","has coordinates","253729","2020-10-21","18:00:00",""
"1558319","5.8085","0.0003","7.3835","0.0004","33.4086","0.0017","90","","90","","90","","1432.8","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Stakanovs, Georgijs; Mishnev, Anatoly; Rasina, Dace; Jirgensons, Aigars","A Concise Bioinspired Semisynthesis of Rumphellaones A-C and Their C-8 Epimers from β-Caryophyllene.","Journal of natural products","2020","83","6","2004","2009","10.1021/acs.jnatprod.0c00403","","","1.54184","CuKα","","0.0312","0.0307","","","0.0828","0.0832","","","","","","1.069","","","","has coordinates","253727","2020-10-21","18:00:00",""
"1558377","11.4985","0.0003","13.7129","0.0005","24.4365","0.0007","90","","90","","90","","3853.1","0.2","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 O4 Si -","- C41 H56 O4 Si -","- C164 H224 O16 Si4 -","4","1","","Yu, Tianzi; Sun, Ying; Tu, Canhui; Chen, Ting; Fu, Shaomin; Liu, Bo","Total Synthesis of Crotophorbolone","Chemical Science","2020","","","","","10.1039/D0SC02829K","","x-ray","0.71073","MoKα","","0.0839","0.0484","","","0.0855","0.0967","","","","","","0.961","","","","has coordinates","253283","2020-10-21","18:00:00",""
"1558378","10.7809","0.0007","12.9537","0.001","23.2649","0.0018","90","","90","","90","","3249","0.4","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 O3 Si -","- C36 H47 O3 Si -","- C144 H188 O12 Si4 -","4","1","","Yu, Tianzi; Sun, Ying; Tu, Canhui; Chen, Ting; Fu, Shaomin; Liu, Bo","Total Synthesis of Crotophorbolone","Chemical Science","2020","","","","","10.1039/D0SC02829K","","x-ray","0.71073","MoKα","","0.0929","0.0681","","","0.1419","0.1623","","","","","","1.016","","","","has coordinates","253283","2020-10-21","18:00:00",""
"1558389","10.206","0.0004","11.8825","0.0005","12.7337","0.0005","90","","90","","90","","1544.25","0.11","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(2-(2-hydroxy-3-phenoxypropyl)phenyl)acetamide","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Thombal, Raju S.; Feoktistova, Taisiia; González-Montiel, Gisela A.; Cheong, Paul H.-Y.; Lee, Yong Rok","Palladium-catalyzed synthesis of β-hydroxy compounds via a strained 6,4-palladacycle from directed C‒H activation of anilines and C‒O insertion of epoxides","Chemical Science","2020","11","27","7260","7265","10.1039/D0SC01462A","","","0.71073","MoKα","","0.0585","0.0413","","","0.1085","0.1283","","","","","","1.128","","","","has coordinates","257297","2020-10-21","18:00:00",""
"1558400","5.2753","0.0002","8.2287","0.0002","45.0822","0.0011","90","","90","","90","","1956.97","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Fernandez, Zulema; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Felix","Chiral Information Harvesting in Helical Poly(acetylene) Derivatives Using Oligo(p-phenyleneethynylene)s as Spacers","Chemical Science","2020","","","","","10.1039/D0SC02685A","","x-ray","0.71073","MoKα","","0.0558","0.0407","","","0.0812","0.0862","","","","","","1.037","","","","has coordinates","253388","2020-10-21","18:00:00",""
"1558401","5.3349","0.0002","8.0996","0.0004","58.179","0.002","90","","90","","90","","2513.95","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H23 N O2 -","- C33 H23 N O2 -","- C132 H92 N4 O8 -","4","1","","Fernandez, Zulema; Fernández, Berta; Quiñoá, Emilio; Riguera, Ricardo; Freire, Felix","Chiral Information Harvesting in Helical Poly(acetylene) Derivatives Using Oligo(p-phenyleneethynylene)s as Spacers","Chemical Science","2020","","","","","10.1039/D0SC02685A","","x-ray","1.54184","CuKα","","0.1384","0.0755","","","0.1678","0.2048","","","","","","0.997","","","","has coordinates","253388","2020-10-21","18:00:00",""
"1558408","4.9464","0.0007","10.344","0.0015","14.8472","0.0022","90","","90","","90","","759.67","0.19","","","140","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","alpha-glucose","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Mostad, Arvid","X-Ray Crystallographic Study of alpha-Glucose at 140 K","Acta Chemica Scandinavica","1994","48","","276","278","10.3891/acta.chem.scand.48-0276","","x-ray","0.71069","MoKα","","","0.037","","","0.043","","","","","","","","","","","has coordinates","253396","2020-10-21","18:00:00",""
"1558428","8.964","0.002","14.404","0.002","17.673","0.005","90","","90","","90","","2281.9","0.9","","","122","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(2S,3aR,8aS)-dimethyl 3a-(N-trifluoroacetyl-1,4-dihydro-4-pyridyl)-8- trifluoroacetyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole-1, 2-dicarboxylate","","","- C23 H19 F6 N3 O6 -","- C23 F6 N3 O6 -","- C92 F24 N12 O24 -","4","1","","Anthoni, Uffe; Christophersen, Carsten; Obel, Andreas; Nielsen, Per Halfdan","Cyclisation of Tryptophans. III. The Crystal Structure of a Product Derived from Trifluoroacetylation of Nb-Methoxycarbonyl-L-Tryptophan Methyl Ester in Pyridine","Acta Chemica Scandinavica","1994","48","","334","339","10.3891/acta.chem.scand.48-0334","","x-ray","1.5418","CuKα","","0.0335","0.0332","","","0.0897","0.09","","","","","","1.048","","","","has coordinates","253475","2020-10-21","18:00:00",""
"1558430","5.4754","0.0002","15.6795","0.0004","20.1088","0.0005","90","","90","","90","","1726.37","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O8 -","- C17 H21 N O8 -","- C68 H84 N4 O32 -","4","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.0329","0.0296","","","0.0723","0.0748","","","","","","1.02","","","","has coordinates","253487","2020-10-21","18:00:00",""
"1558434","5.674","0.003","10.99","0.007","26.414","0.016","90","","90","","90","","1647.1","1.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O7 -","- C16 H23 N O7 -","- C64 H92 N4 O28 -","4","1","","Habel, Deenamma; Nair, Divya S.; Kallingathodi, Zabeera; Mohan, Chithra; Pillai, Sarath M.; Nair, Rani R.; Thomas, Grace; Haleema, Simimole; Gopinath, Chithra; Abdul, Rinshad V.; Fritz, Matthew; Puente, Andrew R.; Johnson, Jordan L.; Polavarapu, Prasad L.; Ibnusaud, Ibrahim","Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00211","","","0.71073","MoKα","","0.1702","0.0832","","","0.1605","0.1998","","","","","","1.027","","","","has coordinates","253491","2020-10-21","18:00:00",""
"1558444","8.238","0.001","10.295","0.001","19.383","0.002","90","","90","","90","","1643.9","0.3","","","293","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Co(en)2Cl2]H3S2P2O6","","","- C4 H19 Cl2 Co N4 O6 P2 S2 -","- C4 H3 Cl2 Co N4 O6 P2 S2 -","- C16 H12 Cl8 Co4 N16 O24 P8 S8 -","4","1","","Janickis, Vitalijus; Maroy, Kjartan","The Dihydrogenmonothiophosphate and Trihydrogendisulfanediphosphonate Anions. Crystal Structures of KH2SPO3 and [Co(en)2Cl2]H3S2P2O6","Acta Chemica Scandinavica","1994","48","","461","464","10.3891/acta.chem.scand.48-0461","","x-ray","0.71069","MoKα","","","0.043","","","0.038","","","","","","","1.26","","","","has coordinates","253557","2020-10-21","18:00:00",""
"1558447","6.9234","0.0002","12.1772","0.0003","41.1985","0.0009","90","","90","","90","","3473.35","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Macropterin A","","","- C40 H56 O5 -","- C40 H56 O5 -","- C160 H224 O20 -","4","1","","Raksat, Achara; Aree, Thammarat; Pudhom, Khanitha","Pterolobirins A and B, Oxygen-Bridged Cassane Diterpenoid Dimers from the Fruits of Pterolobium macropterum","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00354","","","1.54178","CuKα","","0.0435","0.0418","","","0.1054","0.1066","","","","","","1.045","","","","has coordinates","253575","2020-10-21","18:00:00",""
"1558448","9.1387","0.001","24.286","0.003","38.773","0.004","90","","90","","90","","8605.4","1.7","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C400 H440 O120 -","20","5","","Rivera-Chávez, José; Bustos-Brito, Celia; Aguilar-Ramírez, Enrique; Martínez-Otero, Diego; Rosales-Vázquez, Luis D.; Dorazco-González, Alejandro; Cano-Sánchez, Patricia","Hydroxy-neo-Clerodanes and 5,10-seco-neo-Clerodanes from Salvia decora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00313","","","1.54178","CuKα","","0.06","0.0583","","","0.1399","0.1413","","","","","","1.094","","","","has coordinates,has disorder","253576","2020-10-21","18:00:00",""
"1558461","6.947","0.0001","7.5101","0.0001","17.0105","0.0003","90","","90","","90","","887.48","0.02","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Banwell, Martin G.; Liu, Xin; Connal, Luke A.; Gardiner, Michael G.","Synthesis of Functionally and Stereochemically Diverse Polymers via Ring-Opening Metathesis Polymerization of Derivatives of the Biomass-Derived Platform Molecule Levoglucosenone Produced at Industrial Scale","Macromolecules","2020","","","","","10.1021/acs.macromol.0c01305","","x-ray","1.54184","CuKα","","0.0287","0.028","","","0.0709","0.0716","","","","","","1.075","","","","has coordinates","253640","2020-10-21","18:00:00",""
"1558468","9.972","0.002","13.731","0.004","21.577","0.006","90","","90","","90","","2954.4","1.3","","","122","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(tacn)Cr(mu-OH)2(mu-CH3CONH)Cr-(tacn)]I3.3H2O","","","- C14 H42 Cr2 I3 N7 O6 -","- C14 Cr2 I3 N7 O6 -","- C56 Cr8 I12 N28 O24 -","4","1","","Andersen, Peter; Matsui, Hayato; Nielsen, Karen M.; Nygaard, Anne S.","Formation of Dinuclear (1,4,7-Triazacyclononane)chromium(III) Complexes with Three Hydroxo or One Acetamidato and Two Hydroxo Bridges from the Aquahydroxo Monomers in Acetonitrile","Acta Chemica Scandinavica","1994","48","","542","547","10.3891/acta.chem.scand.48-0542","","x-ray","0.71073","MoKα","","","0.04","","","","0.14","","","","","","1.135","","","","has coordinates","253663","2020-10-21","18:00:00",""
"1558480","9.8726","0.0005","10.9075","0.0005","12.7229","0.0006","90","","90","","90","","1370.07","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O3 -","- C16 H14 Cl N O3 -","- C64 H56 Cl4 N4 O12 -","4","1","","Vik, Erik C.; Li, Ping; Maier, Josef M.; Madukwe, Daniel O.; Rassolov, Vitaly A.; Pellechia, Perry J.; Masson, Eric; Shimizu, Ken D.","Large Transition State Stabilization from a Weak Hydrogen Bond","Chemical Science","2020","","","","","10.1039/D0SC02806A","","x-ray","0.71073","MoKα","","0.0309","0.0272","","","0.0636","0.0655","","","","","","1.029","","","","has coordinates","253683","2020-10-21","18:00:00",""
"1558504","9.77217","0.00005","9.81597","0.00005","13.76057","0.00008","90","","90","","90","","1319.96","0.012","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>.","Journal of natural products","2020","83","7","2200","2206","10.1021/acs.jnatprod.0c00298","","x-ray","1.54184","CuKα","","0.0267","0.0267","","","0.0684","0.0684","","","","","","1.095","","","","has coordinates","254775","2020-10-21","18:00:00",""
"1558505","5.42071","0.0001","12.6801","0.0003","14.9194","0.0003","90","","90","","90","","1025.49","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","","Li, Huaqiang; Zhang, Runge; Cao, Fei; Wang, Jianping; Hu, Zhengxi; Zhang, Yonghui","Proversilins A-E, Drimane-Type Sesquiterpenoids from the Endophytic <i>Aspergillus versicolor</i>.","Journal of natural products","2020","83","7","2200","2206","10.1021/acs.jnatprod.0c00298","","x-ray","1.54184","CuKα","","0.046","0.0448","","","0.1128","0.1139","","","","","","1.076","","","","has coordinates","254775","2020-10-21","18:00:00",""
"1558515","10.988","0.002","11.566","0.001","11.892","0.002","90","","90","","90","","1511.3","0.4","","","291","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydroxychloride of 4-(4-Bromophenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline (4R)-4","","","- C16 H17 Br Cl N -","- C16 Br Cl N -","- C64 Br4 Cl4 N4 -","4","1","","Mondeshka, Diana; Stensland, Birgitta; Angelova, Ivanka; Ivanov, Chavdar B.; Atanasova, Ralitza","Resolution, Absolute Stereochemistry and Enantiospecificity of 4-(4-Bromophenyl)-2-methyl-1,2,3,4-tetrahydroisoquinoline. The Crystal and Molecular Structures of the Racemic and 4R-Enantiomeric Hydrochloride Salt Forms","Acta Chemica Scandinavica","1994","48","","689","698","10.3891/acta.chem.scand.48-0689","","x-ray","1.5418","CuKα","","","0.035","","","0.047","","","","","","","","","","","has coordinates","254058","2020-10-21","18:00:00",""
"1558521","7.9639","0.0002","8.3386","0.0002","28.4084","0.0008","90","","90","","90","","1886.54","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0345","0.0343","","","0.0909","0.091","","","","","","1.059","","","","has coordinates,has disorder","254773","2020-10-21","18:00:00",""
"1558522","7.8764","0.0007","8.2662","0.0007","31.176","0.003","90","","90","","90","","2029.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C84 H128 O24 -","4","1","","Pu, De-Bing; Zhang, Xing-Jie; Bi, De-Wen; Gao, Jun-Bo; Yang, Yan; Li, Xiao-Li; Lin, Jing; Li, Xiao-Nian; Zhang, Rui-Han; Xiao, Wei-Lie","Callicarpins, Two Classes of Rearranged <i>ent</i>-Clerodane Diterpenoids from <i>Callicarpa</i> Plants Blocking NLRP3 Inflammasome-Induced Pyroptosis.","Journal of natural products","2020","83","7","2191","2199","10.1021/acs.jnatprod.0c00288","","","1.54178","CuKα","","0.0398","0.0397","","","0.101","0.1012","","","","","","1.12","","","","has coordinates","254773","2020-10-21","18:00:00",""
"1558526","7.9409","0.0001","11.0197","0.0002","18.8393","0.0003","90","","90","","90","","1648.56","0.04","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Li, Hao; Liang, Yu-Ru; Chen, Shao-Xin; Wang, Wen-Xuan; Zou, Yike; Nuryyeva, Selbi; Houk, K. N.; Xiong, Juan; Hu, Jin-Feng","Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer <i>Amentotaxus argotaenia</i> and Their Cytotoxic Effects.","Journal of natural products","2020","83","7","2129","2144","10.1021/acs.jnatprod.0c00064","","","1.34139","GaKα","","0.0359","0.0347","","","0.111","0.1135","","","","","","1.01","","","","has coordinates","254774","2020-10-21","18:00:00",""
"1558527","7.6538","0.0003","22.4697","0.001","44.905","0.002","90","","90","","90","","7722.7","0.6","170","2","170.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 O3.5 -","- C20 H33 O3.5 -","- C320 H528 O56 -","16","4","","Li, Hao; Liang, Yu-Ru; Chen, Shao-Xin; Wang, Wen-Xuan; Zou, Yike; Nuryyeva, Selbi; Houk, K. N.; Xiong, Juan; Hu, Jin-Feng","Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer <i>Amentotaxus argotaenia</i> and Their Cytotoxic Effects.","Journal of natural products","2020","83","7","2129","2144","10.1021/acs.jnatprod.0c00064","","","1.34139","GaKα","","0.1498","0.1107","","","0.2428","0.2662","","","","","","0.993","","","","has coordinates","254774","2020-10-21","18:00:00",""
"1558528","6.7321","0.0003","13.4089","0.0006","37.6911","0.0017","90","","90","","90","","3402.4","0.3","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19.5 H28 O3.5 -","- C19.5 H28 O3.5 -","- C156 H224 O28 -","8","2","","Li, Hao; Liang, Yu-Ru; Chen, Shao-Xin; Wang, Wen-Xuan; Zou, Yike; Nuryyeva, Selbi; Houk, K. N.; Xiong, Juan; Hu, Jin-Feng","Amentotaxins C-V, Structurally Diverse Diterpenoids from the Leaves and Twigs of the Vulnerable Conifer <i>Amentotaxus argotaenia</i> and Their Cytotoxic Effects.","Journal of natural products","2020","83","7","2129","2144","10.1021/acs.jnatprod.0c00064","","","1.34139","GaKα","","0.0544","0.0461","","","0.1247","0.1347","","","","","","1.079","","","","has coordinates","254774","2020-10-21","18:00:00",""
"1558531","9.726","0.0002","11.7737","0.0003","13.0343","0.0003","90","","90","","90","","1492.57","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Zhang, Lin; Yamazaki, Ken; Leitch, Jamie A.; Manzano, Ruben; Atkinson, Victoria A. M.; Hamlin, Trevor A.; Dixon, Darren J.","Dual catalytic enantioselective desymmetrization of allene-tethered cyclohexanones","Chemical Science","2020","","","","","10.1039/D0SC02878A","","","1.54184","CuKα","","0.0328","0.0301","","0.0759","0.0728","0.0755","","","","","","0.9981","","","","has coordinates","254097","2020-10-21","18:00:00",""
"1558538","14.661","0.003","8.8474","0.001","7.6749","0.0009","90","","90","","90","","995.5","0.3","","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-ACETYL-OCTACYCLOHEPTATHIOIMIDE, C2H3NOS7","","","- C2 H3 N O S7 -","- C2 H3 N O S7 -","- C8 H12 N4 O4 S28 -","4","1","","A. Vegas; M. Martinez-Ripoli; S. Garcia-Blanco","N-ACETYL-OCTACYCLOHEPTATHIOIMIDE, C2H3NOS7","Crystal Structure Communications","1978","7","","215","218","","","x-ray","1.5418","CuKα","","","0.096","","","0.116","","","","","","","","","","","has coordinates","254114","2020-10-21","18:00:00",""
"1558553","7.17307","0.00003","9.46902","0.00005","36.9162","0.0002","90","","90","","90","","2507.42","0.02","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O6 -","- C14 H14 O6 -","- C112 H112 O48 -","8","2","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir; Cundari, Thomas R.; Wang, Hong","Formal Oxo- and Aza-[3+2] Reactions of α-Enaminones and Quinones: A Double Divergent Process and the Roles of Chiral Phosphoric Acid and Molecular Sieves","Chemical Science","2020","","","","","10.1039/D0SC02078H","","x-ray","1.54184","CuKα","","0.0314","0.0311","","","0.0804","0.0806","","","","","","1.058","","","","has coordinates,has disorder","254162","2020-10-21","18:00:00",""
"1558555","17.815","0.0012","18.8153","0.0013","19.2663","0.0013","90","","90","","90","","6458","0.8","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H86 O16 S2 Si2 -","- C58 H86 O16 S2 Si2 -","- C232 H344 O64 S8 Si8 -","4","1","","Rose, John A.; Mahapatra, Subham; Li, Xin; Wang, Chao; Chen, Lei; Swick, Steven M.; Herzon, Seth B.","Synthesis of the bis(cyclohexenone) core of (−)-lomaiviticin A","Chemical Science","2020","","","","","10.1039/D0SC02770G","","","1.54178","CuKα","","0.0823","0.0711","","","0.2108","0.2205","","","","","","1.086","","","","has coordinates","254163","2020-10-21","18:00:00",""
"1558565","7.2994","0.0002","9.6105","0.0003","23.9296","0.0008","90","","90","","90","","1678.68","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C88 H60 N12 O8 -","4","1","ZQ4040","Devika, S.; Begum, Noor Shahina; Manjappa, Kiran B.; Yang, Ding-Yah","(2-Hydroxyphenyl)(4,2':4',4''-terpyridin-6'-yl)methanone","IUCrData","2020","5","7","x200857","","10.1107/S2414314620008573","","","0.71073","MoKα","","0.0481","0.0377","","","0.0823","0.0876","","","","","","1.103","","","","has coordinates,has Fobs","254211","2020-10-21","18:00:00",""
"1558567","12.537","0.0005","12.7632","0.0006","18.2961","0.0007","90","","90","","90","","2927.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H41 N O8 S -","- C31 H41 N O8 S -","- C124 H164 N4 O32 S4 -","4","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.0614","0.047","","","0.1211","0.1345","","","","","","1.005","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558571","6.469","0.0003","11.9665","0.0007","33.9275","0.0017","90","","90","","90","","2626.4","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O9 -","- C29 H44 O9 -","- C116 H176 O36 -","4","1","","Pederson, Petra J.; Cai, Shengxin; Carver, Chase; Powell, Douglas R.; Risinger, April L.; Grkovic, Tanja; O'Keefe, Barry R; Mooberry, Susan L.; Cichewicz, Robert H.","Triple-Negative Breast Cancer Cells Exhibit Differential Sensitivity to Cardenolides from <i>Calotropis gigantea</i>.","Journal of natural products","2020","83","7","2269","2280","10.1021/acs.jnatprod.0c00423","","","0.71073","MoKα","","0.1015","0.0571","","","0.1152","0.1394","","","","","","1.005","","","","has coordinates","254778","2020-10-21","18:00:00",""
"1558578","7.57","0.0001","10.8882","0.0002","45.5723","0.001","90","","90","","90","","3756.24","0.12","296","2","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C160 H240 O32 -","8","2","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.34139","GaKα","","0.1108","0.0575","","","0.1318","0.1607","","","","","","1.001","","","","has coordinates","254776","2020-10-21","18:00:00",""
"1558581","8.4122","0.0005","20.175","0.0011","26.6799","0.0016","90","","90","","90","","4528","0.5","277","2","277","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 O7 -","- C19 H14 O7 -","- C228 H168 O84 -","12","3","","Mao, Xu-Dong; Zhang, Cheng-Gang; Chen, Ting; Zhao, Sen-Miao; Chou, Gui-Xin","Cytotoxic Diterpenoids from <i>Caryopteris aureoglandulosa</i>.","Journal of natural products","2020","83","7","2093","2101","10.1021/acs.jnatprod.9b01052","","","1.54178","CuKα","","0.06","0.0498","","","0.1489","0.1775","","","","","","1.067","","","","has coordinates","254776","2020-10-21","18:00:00",""
"1558623","7.6535","0.0003","13.7374","0.0005","31.5932","0.0015","90","","90","","90","","3321.7","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C160 H160 N16 O24 -","8","2","","Zhang, Jian; Liu, Zhi-Wen; Li, Yong; Wei, Cui-Jie; Xie, Jing; Yuan, Meng-Fei; Zhang, Dong-Mei; Ye, Wen-Cai; Zhang, Xiao-Qi","Structurally Diverse Indole Alkaloids with Vasorelaxant Activity from Melodinus hemsleyanus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00925","","x-ray","1.54184","CuKα","","0.1013","0.0951","","","0.2315","0.235","","","","","","1.1","","","","has coordinates","254409","2020-10-21","18:00:00",""
"1558624","8.7009","0.0001","11.6468","0.0002","42.6723","0.0007","90","","90","","90","","4324.31","0.11","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N3 O9 -","- C20 H25 N3 O9 -","- C160 H200 N24 O72 -","8","2","","Zhang, Jian; Liu, Zhi-Wen; Li, Yong; Wei, Cui-Jie; Xie, Jing; Yuan, Meng-Fei; Zhang, Dong-Mei; Ye, Wen-Cai; Zhang, Xiao-Qi","Structurally Diverse Indole Alkaloids with Vasorelaxant Activity from Melodinus hemsleyanus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.9b00925","","x-ray","1.54178","CuKα","","0.0477","0.0468","","","0.1336","0.1344","","","","","","1.052","","","","has coordinates","254410","2020-10-21","18:00:00",""
"1558658","9.2324","0.0003","11.1656","0.0004","23.3497","0.0008","90","","90","","90","","2407.01","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate","","- C25 H29 Cl N2 O7 -","- C25 H29 Cl N2 O7 -","- C100 H116 Cl4 N8 O28 -","4","1","BT4095","Outahar, Fatima; Moumou, Mohamed; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 10α-hydroxy-4,9-dimethyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecane-13-spiro-5'-pyrazole-3'-carboxylate","IUCrData","2020","5","7","x200945","","10.1107/S2414314620009451","","","0.71073","MoKα","","0.0475","0.0381","","","0.1002","0.1074","","","","","","1.04","","","","has coordinates,has Fobs","254478","2020-10-21","18:00:00",""
"1558662","6.0857","0.0001","16.6326","0.0003","19.5442","0.0003","90","","90","","90","","1978.28","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Chen, Ming; Wang, Wen-Jing; Li, Ni-Ping; Zeng, Hu-Hu; Guo, Hong; Jiang, Ren-Wang; Wang, Lei; Ye, Wen-Cai","Myrcaulones A‒C, Unusual Rearranged Triketone‒Terpene Adducts from Myrciaria cauliflora","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00283","","","1.54178","CuKα","","0.0475","0.0462","","","0.1296","0.1318","","","","","","1.067","","","","has coordinates","254558","2020-10-21","18:00:00",""
"1558668","12.805","0.003","23.973","0.006","32.637","0.008","90","","90","","90","","10019","4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32.33 H39 F2 N5.67 O7 -","- C32.3333 H39 F2 N5.66667 O7 -","- C388 H468 F24 N68 O84 -","12","3","","Kallemeyn, Jeffrey M.; Engstrom, Kenneth M.; Pelc, Matthew J.; Lukin, Kirill A.; Morrill, Westin H.; Wei, Haojuan; Towne, Timothy B.; Henle, Jeremy; Nere, Nandkishor K.; Welch, Dennie S.; Shekhar, Shashank; Ravn, Matthew M.; Zhao, Gang; Fickes, Michael G.; Ding, Chen; Vinci, John C.; Marren, James; Cink, Russell D.","Development of a Large-Scale Route to Glecaprevir: Synthesis of the Macrocycle via Intramolecular Etherification","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00244","","","0.71073","MoKα","","0.2198","0.1136","","","0.2034","0.2435","","","","","","1.047","","","","has coordinates","254631","2020-10-21","18:00:00",""
"1558750","10.4979","0.0003","12.8949","0.0003","13.082","0.0003","90","","90","","90","","1770.9","0.08","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Zhou, Bin; Ren, Yu-Hao; Han, Ying-Shan; Mesplède, Thibault; Yue, Jian-Min","Diverse Types of Diterpenoids with an Aromatized C Ring from the Twigs of <i>Podocarpus imbricatus</i>.","Journal of natural products","2020","83","8","2416","2424","10.1021/acs.jnatprod.0c00291","","","1.54178","CuKα","","0.035","0.0318","","","0.0888","0.0899","","","","","","1.021","","","","has coordinates","255873","2020-10-21","18:00:00",""
"1558777","11.529","0.004","16.437","0.005","18.831","0.005","90","","90","","90","","3568.5","1.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H60 B N3 P Rh -","- C34 H60 B N3 P Rh -","- C136 H240 B4 N12 P4 Rh4 -","4","1","","Heß, Merlin; Stennett, Thomas; Fantuzzi, Felipe; Bertermann, Rüdiger; Schock, Marvin; Schäfer, Marius; Thiess, Torsten; Braunschweig, Holger","Diverse Ring-Opening Reactions of Rhodium η4-Azaborete Complexes","Chemical Science","2020","","","","","10.1039/D0SC02283G","","","0.71073","MoKα","","0.0305","0.0284","","","0.0695","0.0708","","","","","","1.053","","","","has coordinates","254816","2020-10-21","18:00:00",""
"1558802","5.5972","0.0002","15.0183","0.0006","16.7717","0.0006","90","","90","","90","","1409.84","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Konstantinova, Lidia S.; Tolmachev, Mikhail A.; Popov, Vadim V.; Rakitin, Oleg A.","Ethyl 11a,12-Dihydrobenzo[b]benzo[5,6][1,4]oxazino[2,3-e][1,4]oxazine-5a(6H)-carboxylate","Molbank","2020","2020","3","M1149","","10.3390/M1149","","","0.71073","MoKα","","0.0423","0.0345","","","0.0855","0.0914","","","","","","1.04","","","","has coordinates","255133","2020-10-21","18:00:00",""
"1558815","10.534","0.002","10.545","0.002","11.217","0.002","90","","90","","90","","1246","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Trichloridosulfonium(IV) hexachloridouranate(V)","Trichloridosulfonium(IV) hexachloridouranate(V)","","- Cl9 S U -","- Cl9 S U -","- Cl36 S4 U4 -","4","1","WM4134","Deubner, Holger Lars; Ivlev, Sergei I.; Kraus, Florian","Rerefinement of the crystal structure of trichloridosulfonium(IV) hexachloridouranate(V), (SCl~3~)[UCl~6~]","IUCrData","2020","5","7","x200960","","10.1107/S2414314620009608","","","0.71073","MoKα","","0.0201","0.0194","","","0.0432","0.0434","","","","","","1.08","","","","has coordinates,has Fobs","255164","2020-10-21","18:00:00",""
"1558818","7.8041","0.0006","22.8879","0.0016","25.267","0.0016","90","","90","","90","","4513.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","","- C25 H25 N3 O4 -","- C25 H25 N3 O4 -","- C200 H200 N24 O32 -","8","2","HB4356","Shripanavar, Chetan Shrimandhar; Butcher, Ray J.","(<i>Z</i>)-<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide","IUCrData","2020","5","8","x201060","","10.1107/S2414314620010603","","","0.71073","MoKα","","0.1314","0.0688","","","0.1184","0.1356","","","","","","0.93","","","","has coordinates,has Fobs","255207","2020-10-21","18:00:00",""
"1558849","10.8773","0.0002","12.6267","0.0002","34.4236","0.0008","90","","90","","90","","4727.89","0.16","295","0.3","295","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 F10 O S18 Ta2 -","- C30 H30 F10 O S18 Ta2 -","- C120 H120 F40 O4 S72 Ta8 -","4","1","","Avarvari, Narcis; Mroweh, Nabil; Mézière, Cécile; Allain, Magali; Auban-Senzier, Pascale; Canadell, Enric","Conservation of structural arrangements and 3:1 stoichiometry in a series of crystalline conductors of TMTTF, TMTSF, BEDT-TTF, and chiral DM-EDT-TTF with the oxo-bis[pentafluorotantalate(V)] dianion","Chemical Science","2020","","","","","10.1039/D0SC03665J","","","1.54184","CuKα","","0.0545","0.0438","","","0.1004","0.1072","","","","","","1.067","","","","has coordinates","255302","2020-10-21","18:00:00",""
"1558872","8.4648","0.0001","15.9282","0.0002","16.6678","0.0002","90","","90","","90","","2247.3","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N3 O6 -","- C23 H24 Cl N3 O6 -","- C92 H96 Cl4 N12 O24 -","4","1","","Cala, Lara; Villar, Pedro; de Lera, Ángel R.; Fañanás, Francisco J.; Álvarez, Rosana; Rodríguez, Félix","Multicomponent and multicatalytic asymmetric synthesis of furo[2,3-b]pyrrole derivatives: further insights into the mode of action of chiral phosphoric acid catalysts","Chemical Science","2020","","","","","10.1039/D0SC03342A","","x-ray","1.54184","CuKα","","0.0271","0.0266","","","0.0678","0.0683","","","","","","1.069","","","","has coordinates","255462","2020-10-21","18:00:00",""
"1558881","7.617","0.0002","11.8104","0.0003","22.6071","0.0006","90","","90","","90","","2033.73","0.09","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl O5 -","- C20 H31 Cl O5 -","- C80 H124 Cl4 O20 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0487","0.0467","","","0.1338","0.1366","","","","","","1.083","","","","has coordinates","255872","2020-10-21","18:00:00",""
"1558884","9.4565","0.0005","9.5803","0.0007","22.189","0.0014","90","","90","","90","","2010.2","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Zhang, Fan-Zhong; Wang, Ya-Nan; Wang, Bin-Gui","Talascortenes A-G, Highly Oxygenated Diterpenoid Acids from the Sea-Anemone-Derived Endozoic Fungus <i>Talaromyces scorteus</i> AS-242.","Journal of natural products","2020","83","8","2528","2536","10.1021/acs.jnatprod.0c00628","","","1.54178","CuKα","","0.0583","0.0459","","","0.1116","0.1212","","","","","","1.032","","","","has coordinates,has disorder","255872","2020-10-21","18:00:00",""
"1558892","7.2564","0.0006","10.1171","0.0008","17.2505","0.0014","90","","90","","90","","1266.42","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl) -3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H) -dione dihydrate","","- C10 H18 N2 O8 -","- C10 H18 N2 O8 -","- C40 H72 N8 O32 -","4","1","","Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo","Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00275","","","1.54178","CuKα","","0.0226","0.0226","","","0.0602","0.0602","","","","","","1.079","","","","has coordinates","255566","2020-10-21","18:00:00",""
"1558893","7.1273","0.0004","9.0099","0.0005","17.154","0.0009","90","","90","","90","","1101.57","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl) -3-methyltetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C40 H56 N8 O24 -","4","1","","Dance, Zachary E. X.; Crawford, Morgan; Moment, Aaron; Brunskill, Andrew; Wabuyele, Busolo","Kinetics, Thermodynamics, and Scale-Up of an Azeotropic Drying Process: Mapping Rapid Phase Conversion with Process Analytical Technology","Organic Process Research & Development","2020","","","","","10.1021/acs.oprd.0c00275","","","1.54178","CuKα","","0.0219","0.0218","","","0.0572","0.0573","","","","","","1.045","","","","has coordinates","255567","2020-10-21","18:00:00",""
"1558897","8.48738","0.00006","8.60757","0.00006","25.91521","0.00018","90","","90","","90","","1893.25","0.02","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Du, Min; An, Lijun; Xu, Jing; Guo, Yuanqiang","Euphnerins A and B, Diterpenoids with a 5/6/6 Rearranged Spirocyclic Carbon Skeleton from the Stems of <i>Euphorbia neriifolia</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00249","","x-ray","1.54184","CuKα","","0.0282","0.0279","","","0.0741","0.0744","","","","","","1.059","","","","has coordinates","255588","2020-10-21","18:00:00",""
"1558908","12.6462","0.0001","17.8817","0.0001","25.2987","0.0002","90","","90","","90","","5720.94","0.07","150","2","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2R,2'R)-2,2'-((3,7-dimethoxybenzo[1,2-b:4,5-b']dithiophene-2,6-dicarbonyl)bis(azanediyl))bis(3-(tritylthio)propanoic acid)","","- C61.2 H52.8 F4.8 N2 O9.6 S4 -","- C61.2 H52.8 F4.8 N2 O9.6 S4 -","- C244.8 H211.2 F19.2 N8 O38.4 S16 -","4","1","","Gianga, Tiberiu-M; Audibert, Edwige; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan","Discovery of an all-donor aromatic [2]catenane","Chemical Science","2020","","","","","10.1039/D0SC04317F","","x-ray","1.54184","CuKα","","0.0404","0.0378","","","0.0962","0.0984","","","","","","1.034","","","","has coordinates,has disorder","255613","2020-10-21","18:00:00",""
"1558918","8.4795","0.0002","10.1279","0.0003","15.4669","0.0004","90","","90","","90","","1328.29","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Tang, Shuang; Zhang, Xin-Tian; Ma, Yun-Bao; Huang, Xiao-Yan; Geng, Chang-An; Li, Tian-Ze; Zhang, Xue-Mei; Shen, Cheng; Su, Li-Hua; Gao, Zhen; Chen, Ji-Jun","Artemyrianolides A‒S, Cytotoxic Sesquiterpenoids from Artemisia myriantha","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00396","","","1.54178","CuKα","","0.0301","0.0298","","","0.1054","0.106","","","","","","1.013","","","","has coordinates","255669","2020-10-21","18:00:00",""
"1558928","7.39944","0.00005","11.11572","0.00008","15.42283","0.0001","90","","90","","90","","1268.53","0.015","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 O7 -","- C11 H18 O7 -","- C44 H72 O28 -","4","1","","Zandi, Linda; Makungu, Marco; Munissi, Joan J. E.; Duffy, Sandra; Puttreddy, Rakesh; von der Heiden, Daniel; Rissanen, Kari; Avery, Vicky M.; Nyandoro, Stephen S.; Erdélyi, Máté","Secoiridoids and Iridoids from <i>Morinda asteroscepa</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00447","","x-ray","1.54184","CuKα","","0.0299","0.0299","","","0.0783","0.0784","","","","","","1.13","","","","has coordinates","255719","2020-10-21","18:00:00",""
"1558936","6.30648","0.00011","11.9372","0.0002","26.4614","0.0005","90","","90","","90","","1992.06","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Qin, Le; Yi, Wenwen; Lian, Xiao-Yuan; Zhang, Zhizhen","Bioactive Alkaloids from the Actinomycete Actinoalloteichus sp. ZZ1866","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00588","","x-ray","1.54184","CuKα","","0.0314","0.0309","","","0.0803","0.0808","","","","","","1.046","","","","has coordinates","255765","2020-10-21","18:00:00",""
"1558994","13.2478","0.0004","15.6986","0.0004","19.701","0.0005","90","","90","","90","","4097.25","0.19","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 Ag2 B2 F8 N6 P2 -","- C36 H34 Ag2 B2 F8 N6 P2 -","- C144 H136 Ag8 B8 F32 N24 P8 -","4","1","","Artem’ev, Alexander V.; Davydova, Maria P.; Berezin, Alexey S.; Samsonenko, Denis G.","Synthesis and Thermochromic Luminescence of Ag(I) Complexes Based on 4,6-Bis(diphenylphosphino)-Pyrimidine","Inorganics","2020","8","9","46","","10.3390/inorganics8090046","","x-ray","0.71073","MoKα","","0.0306","0.026","","","0.0535","0.0557","","","","","","1.022","","","","has coordinates,has disorder","256194","2020-10-21","18:00:00",""
"1558995","13.7178","0.0014","20.452","0.002","27.659","0.003","90","","90","","90","","7759.9","1.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[Bis(3,7-dibenzyl-1,5-di(1’-(R)-phenylethyl)-1,5-diaza-3,7-diphosphacyclooctane)- bis(acetonitrile)iron(II)] tetrafluoroborate","","- C76 H92 B2 F8 Fe N8 P4 -","- C76 H92 B2 F8 Fe N8 P4 -","- C304 H368 B8 F32 Fe4 N32 P16 -","4","1","","Spiridonova, Yulia S.; Nikolaeva, Yulia A.; Balueva, Anna S.; Musina, Elvira I.; Litvinov, Igor A.; Strelnik, Igor D.; Khrizanforova, Vera V.; Budnikova, Yulia G.; Karasik, Andrey A.","Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes.","Molecules (Basel, Switzerland)","2020","25","17","3775","","10.3390/molecules25173775","","","0.71073","MoKα","","0.2051","0.0791","","","0.1537","0.2081","","","","","","1.007","","","","has coordinates","256195","2020-10-21","18:00:00",""
"1559020","7.4768","0.0003","16.219","0.0009","19.4101","0.001","90","","90","","90","","2353.8","0.2","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-Spirost-4-en-3,6-dione","","- C27 H38 O4 -","- C27 H38 O4 -","- C108 H152 O16 -","4","1","ZQ4041","Guerrero-Luna, Gabriel; Reyes Melchor, Jaquelin; Bernès, Sylvain; Hernández-Linares, María-Guadalupe","Diosgenin-3,6-dione: second polymorph in space group <i>P</i>2~1~2~1~2~1~","IUCrData","2020","5","9","x201200","","10.1107/S2414314620012006","","x-ray","0.56083","AgKα","","0.0694","0.0396","","","0.0825","0.0911","","","","","","0.884","","","","has coordinates,has Fobs","256246","2020-10-21","18:00:00",""
"1559045","7.516","0.01","12.357","0.004","19.84","0.005","90","","90","","90","","1843","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl3 N2 Pd -","- C18 H17 Cl3 N2 Pd -","- C72 H68 Cl12 N8 Pd4 -","4","1","","Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara","Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer","Macromolecules","2020","53","18","7783","7794","10.1021/acs.macromol.0c01461","","","0.7","synchrotron","","0.0358","0.0338","","","0.0849","0.086","","","","","","1.062","","","","has coordinates","257167","2020-10-21","18:00:00",""
"1559049","7.1789","0.0009","8.6698","0.0011","24.751","0.003","90","","90","","90","","1540.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N O -","- C18 H14 Cl N O -","- C72 H56 Cl4 N4 O4 -","4","1","","Sun, Chao; Qi, Xiaotian; Min, Xiao-Long; Bai, Xue-Dan; Liu, Peng; He, Ying","Asymmetric allylic substitution‒isomerization to axially chiral enamides via hydrogen-bonding assisted central-to-axial chirality transfer","Chemical Science","2020","","","","","10.1039/D0SC02828B","","","1.34139","GaKα","","0.1141","0.0874","","","0.1737","0.1863","","","","","","1.169","","","","has coordinates","256330","2020-10-21","18:00:00",""
"1559058","6.6633","0.0002","19.2862","0.0004","19.419","0.0004","90","","90","","90","","2495.53","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 O5 -","- C30 H30 O5 -","- C120 H120 O20 -","4","1","","Zhou, Zhijun; Chen, Jiachang; chen, Herong; Kong, Wangqing","Stereoselective Synthesis of Pentasubstituted 1,3-Dienes via Ni-Catalyzed Reductive Coupling of Unsymmetrical Internal Alkynes","Chemical Science","2020","","","","","10.1039/D0SC04173D","","","1.54178","CuKα","","0.0966","0.0926","","","0.2421","0.2483","","","","","","1.061","","","","has coordinates","256333","2020-10-21","18:00:00",""
"1559062","7.9877","0.0011","15.558","0.002","21.445","0.003","90","","90","","90","","2665","0.6","110","2","110.01","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","C30H24SBF4Sb","","- C30 H24 B F4 S Sb -","- C30 H24 B F4 S Sb -","- C120 H96 B4 F16 S4 Sb4 -","4","1","","Park, Gyeongjin; Gabbaï, François P.","Redox-controlled chalcogen and pnictogen bonding: the case of a sulfonium/stibonium dication as a preanionophore for chloride anion transport","Chemical Science","2020","","","","","10.1039/D0SC04417B","","x-ray","0.71073","MoKα","","0.0312","0.0289","","","0.075","0.077","","","","","","1.072","","","","has coordinates","256334","2020-10-21","18:00:00",""
"1559069","6.135","0.007","9.476","0.009","19.193","0.014","90","","90","","90","","1115.8","1.8","","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6(R)-Acetoxy-2(S)-methoxy-1(R),5(R)-3,7,8-trioxabicyclo[3.2.1]octane","","","- C8 H12 O6 -","- C8 O6 -","- C32 O24 -","4","1","","Aalmo, Kjell M.; Drew, Michael G. B.; Nicholson, David G.","Identification by X-Ray Methods of 6(R)-Acetoxy-2(S)-methoxy-1(R),5(R)-3,7,8-trioxabicyclo[3.2.1]octane. A New Compound Isolated after Periodate Oxidation of Methyl alpha-D-Xylopyranoside in Dimethyl Sulfoxide Followed by Acetylation","Acta Chemica Scandinavica","1993","47","","1235","1237","10.3891/acta.chem.scand.47-1235","","x-ray","0.71069","MoKα","","","0.074","","","0.076","","","","","","","","","","","has coordinates","256349","2020-10-21","18:00:00",""
"1559082","8.3599","0.0003","10.7489","0.0004","28.4769","0.0014","90","","90","","90","","2558.93","0.18","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5α-Cholestane-3β,6β-diol","","- C27 H48 O2 -","- C27 H48 O2 -","- C108 H192 O8 -","4","1","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.0987","0.043","","","0.0862","0.0977","","","","","","0.767","","","","has coordinates,has disorder","260727","2021-01-07","05:35:32",""
"1559083","8.1858","0.0003","10.4115","0.0006","30.9258","0.0012","90","","90","","90","","2635.7","0.2","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5β-Cholestane-3β,6β-diol","","- C27 H47 D O2 -","- C27 H47 D O2 -","- C108 H188 D4 O8 -","4","1","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.1241","0.0493","","","0.1181","0.1381","","","","","","0.811","","","","has coordinates,has disorder","260727","2021-01-07","05:35:32",""
"1559084","8.2099","0.0002","9.1989","0.0003","32.4182","0.0014","90","","90","","90","","2448.29","0.15","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25R)-5β-Spirostan-3β,6β-diol","","- C27 H44 O4 -","- C27 H44 O4 -","- C108 H176 O16 -","4","1","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.0681","0.0391","","","0.0768","0.083","","","","","","0.863","","","","has coordinates","260727","2021-01-07","05:35:32",""
"1559095","9.4086","0.0002","11.8075","0.0003","18.603","0.0004","90","","90","","90","","2066.65","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","1","","Zhang, Xing-Jie; Zhong, Wei-Mao; Liu, Rui-Xue; Wang, Yong-Mei; Luo, Ting; Zou, Yan; Qin, Hua-Yan; Li, Xiao-Li; Zhang, Ruihan; Xiao, Wei-Lie","Structurally Diverse Labdane Diterpenoids from <i>Leonurus japonicus</i> and Their Anti-inflammatory Properties in LPS-Induced RAW264.7 Cells.","Journal of natural products","2020","83","9","2545","2558","10.1021/acs.jnatprod.9b00597","","","1.54178","CuKα","","0.0429","0.0425","","","0.114","0.1146","","","","","","1.052","","","","has coordinates","257123","2020-10-21","18:00:00",""
"1559109","7.402","0.0002","13.4298","0.0004","26.9766","0.0009","90","","90","","90","","2681.67","0.14","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O9 -","- C30 H38 O9 -","- C120 H152 O36 -","4","1","","Wang, Cheng; Li, Shang; Zhao, Jinhua; Yang, Huali; Yin, Fucheng; Ding, Ming; Luo, Jianguang; Wang, Xiao-Bing; Kong, Ling-Yi","Design and SAR of withangulatin A analogs that act as covalent TrxR inhibitors through Michael addition reaction showing potential in cancer treatment.","Journal of medicinal chemistry","2020","","","","","10.1021/acs.jmedchem.0c01128","","","1.54178","CuKα","","0.0644","0.0468","","","0.0996","0.1108","","","","","","0.995","","","","has coordinates","256495","2020-10-21","18:00:00",""
"1559111","6.2073","0.0002","7.638","0.0001","34.6279","0.0009","90","","90","","90","","1641.76","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F3 N O2 -","- C18 H18 F3 N O2 -","- C72 H72 F12 N4 O8 -","4","1","","Sun, Xi-Shang; Wang, Xing-Heng; Tao, Hai-Yan; Wei, Liang; Wang, Chun-Jiang","Catalytic Asymmetric Synthesis of Quaternary Trifluoromethyl α- to ϵ-Amino Acid Derivatives via Umpolung Allylation/2-aza-Cope Rearrangement","Chemical Science","2020","","","","","10.1039/D0SC04685J","","x-ray","1.54178","CuKα","","0.1281","0.1262","","","0.3226","0.3242","","","","","","1.087","","","","has coordinates","256512","2020-10-21","18:00:00",""
"1559115","11.128","0.0001","18.2363","0.0002","30.9376","0.0004","90","","90","","90","","6278.28","0.12","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H85 In N2 O5 P2 -","- C57 H85 In N2 O5 P2 -","- C228 H340 In4 N8 O20 P8 -","4","1","","Yuntawattana, Nattawut; McGuire, Thomas M.; Durr, Christopher B.; Buchard, Antoine; Williams, Charlotte K.","Indium phosphasalen catalysts showing high isoselectivity and activity in racemic lactide and lactone ring opening polymerizations","Catalysis Science & Technology","2020","10","21","7226","7239","10.1039/D0CY01484B","","x-ray","1.54184","CuKα","","0.0281","0.0255","","","0.0615","0.0628","","","","","","1.031","","","","has coordinates","259602","2020-12-06","13:07:50",""
"1559119","7.7242","0.0002","11.1154","0.0002","21.8365","0.0004","90","","90","","90","","1874.83","0.07","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Au F6 N2 P S2 -","- C15 H16 Au F6 N2 P S2 -","- C60 H64 Au4 F24 N8 P4 S8 -","4","1","","Mertens, Randall T.; Parkin, Sean; Awuah, Samuel G.","Cancer cell-selective modulation of mitochondrial respiration and metabolism by potent organogold(iii) dithiocarbamates","Chemical Science","2020","","","","","10.1039/D0SC03628E","","","0.71073","MoKα","","0.0123","0.0117","","","0.0246","0.0248","","","","","","0.89","","","","has coordinates","256553","2020-10-21","18:00:00",""
"1559137","12.1264","0.0007","18.4915","0.0015","19.9843","0.0014","90","","90","","90","","4481.2","0.5","95","2","95","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H58 Cl2 Cu F6 N6 P -","- C44 H58 Cl2 Cu F6 N6 P -","- C176 H232 Cl8 Cu4 F24 N24 P4 -","4","1","","Karimata, Ayumu; Patil, Pradnya H.; Fayzullin, Robert R.; Khaskin, Eugene; Lapointe, Sébastien; Khusnutdinova, Julia R.","Triboluminescence of a new family of CuI-NHC complexes in crystalline solid and in amorphous polymer films","Chemical Science","2020","","","","","10.1039/D0SC04442C","","x-ray","0.71073","MoKα","","0.033","0.0308","","","0.0739","0.0748","","","","","","1.049","","","","has coordinates","256608","2020-10-21","18:00:00",""
"1559199","7.0562","0.0001","20.5785","0.0001","24.1665","0.0003","90","","90","","90","","3509.12","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 O14 S2 -","- C40 H36 O14 S2 -","- C160 H144 O56 S8 -","4","1","","Fang, Zhuangjie; Jiang, Xiaodong; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Yang, Chunfang; Zhang, Haibo; Zhu, Yiguang; Zhang, Changsheng","<i>S</i>-Bridged Thioether and Structure-Diversified Angucyclinone Derivatives from the South China Sea-Derived <i>Micromonospora echinospora</i> SCSIO 04089.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00719","","x-ray","1.54184","CuKα","","0.0438","0.0412","","","0.1048","0.1062","","","","","","1.079","","","","has coordinates,has disorder","256769","2020-10-21","18:00:00",""
"1559205","6.8769","0.0002","11.506","0.0004","18.7242","0.0007","90","","90","","90","","1481.56","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O8 -","- C16 H16 O8 -","- C64 H64 O32 -","4","1","","Li, Sui Jun; Jiao, Fang Wen; Li, Wei; Zhang, Xuan; Yan, Wei; Jiao, Rui Hua","Cytotoxic Xanthone Derivatives from the Mangrove-Derived Endophytic Fungus Peniophora incarnata Z4","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00523","","","1.54178","CuKα","","0.0247","0.0245","","","0.0667","0.0671","","","","","","1.02","","","","has coordinates","256776","2020-10-21","18:00:00",""
"1559206","4.7121","0.0001","9.8742","0.0002","17.9278","0.0003","90","","90","","90","","834.15","0.03","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 F3 O -","- C9 H9 F3 O -","- C36 H36 F12 O4 -","4","1","","Ponra, Sudipta; Yang, Jianping; Wu, Haibo; Rabten, Wangchuk; Andersson, Pher G.","Asymmetric synthesis of 1,2-fluorohydrin: iridium catalyzed hydrogenation of fluorinated allylic alcohol","Chemical Science","2020","","","","","10.1039/D0SC04032K","","x-ray","0.71073","MoKα","","0.0247","0.0244","","","0.067","0.0674","","","","","","1.068","","","","has coordinates,has disorder","256782","2020-10-21","18:00:00",""
"1559216","10.5509","0.0013","15.2802","0.0019","16.524","0.002","90","","90","","90","","2664","0.6","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 N2 O5 -","- C31 H30 N2 O5 -","- C124 H120 N8 O20 -","4","1","","Zhong, Ziwei; Xiao, Zhijie; Liu, Xiaohua; Cao, Weidi; Feng, Xiaoming","Catalytic asymmetric synthesis of 3,2'-pyrrolinyl spirooxindoles via conjugate addition/Schmidt-type rearrangement of vinyl azides and (E)-alkenyloxindoles","Chemical Science","2020","","","","","10.1039/D0SC03776A","","","1.54178","CuKα","","0.0336","0.0332","","","0.088","0.0887","","","","","","1.066","","","","has coordinates","256815","2020-10-21","18:00:00",""
"1559226","6.9685","0.0008","20.755","0.001","11.9252","0.0009","90","","90","","90","","1724.8","0.3","","","105","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ethuliacoumarin A","","","- C20 H22 O5 -","- C20 O5 -","- C80 O20 -","4","1","","Larsen, I. Kjoller; Lemmich, E.; Thiilborg, S. T.; Nielsen, H. M.; Piedade, Fatima M.; Kady, M. M.; Christensen, S. Brogger","The Absolute and Relative Configuration of the Molluscicides Ethuliacoumarin A and Isoethuliacoumarin A","Acta Chemica Scandinavica","1992","46","","750","756","10.3891/acta.chem.scand.46-0750","","x-ray","1.5418","CuKα","","","0.049","","","0.073","","","","","","","","","","","has coordinates","256860","2020-10-21","18:00:00",""
"1559234","12.0519","0.0003","15.622","0.0004","32.384","0.0009","90","","90","","90","","6097.1","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 B N4 O4 S -","- C26 H29 B N4 O4 S -","- C208 H232 B8 N32 O32 S8 -","8","2","","Palvai, Sandeep; Bhangu, Jasmine; Akgun, Burcin; Moody, Christopher T.; Hall, Dennis G.; Brudno, Yevgeny","<i>In Vivo</i> Targeting Using Arylboronate/Nopoldiol Click Conjugation.","Bioconjugate chemistry","2020","","","","","10.1021/acs.bioconjchem.0c00453","","","1.54178","CuKα","","0.0399","0.0343","","","0.0852","0.0878","","","","","","1.015","","","","has coordinates","256894","2020-10-21","18:00:00",""
"1559245","10.7864","0.0006","11.5313","0.0007","22.3359","0.0013","90","","90","","90","","2778.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Co N O5 P -","- C33 H29 Co N O5 P -","- C132 H116 Co4 N4 O20 P4 -","4","1","","Fischer, Fabian; Pientka, Tobias; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","CpCo(i) precatalysts for [2 + 2 + 2] cycloaddition reactions: synthesis and reactivity","Catalysis Science & Technology","2020","10","23","8005","8014","10.1039/D0CY00876A","","","0.71073","MoKα","","0.0268","0.0247","","","0.0599","0.0612","","","","","","1.052","","","","has coordinates","260596","2021-01-07","04:17:32",""
"1559264","8.1822","0.0003","11.6976","0.0004","20.5756","0.0014","90","","90","","90","","1969.33","0.17","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O9 -","- C20 H28 O9 -","- C80 H112 O36 -","4","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.0443","0.0357","","","0.0844","0.0929","","","","","","1.121","","","","has coordinates","258715","2020-11-04","01:28:16",""
"1559266","6.9381","0.0001","12.35","0.0003","23.4283","0.0016","90","","90","","90","","2007.47","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O9 -","- C20 H28 O9 -","- C80 H112 O36 -","4","1","","Olivon, Florent; Retailleau, Pascal; Desrat, Sandy; Touboul, David; Roussi, Fanny; Apel, Cécile; Litaudon, Marc","Isolation of Picrotoxanes from <i>Austrobuxus carunculatus</i> Using Taxonomy-Based Molecular Networking.","Journal of natural products","2020","83","10","3069","3079","10.1021/acs.jnatprod.0c00636","","","1.54187","CuKα","","0.0398","0.0324","","","0.0787","0.0878","","","","","","1.097","","","","has coordinates","258715","2020-11-04","01:28:16",""
"1559278","13.583","0.0005","15.4136","0.0005","19.6284","0.0014","90","","90","","90","","4109.5","0.4","235","","235.15","","","","","","","","Isaria farinosa","4","P 21 21 21","P 2ac 2ab","19","Paecilosetin C","Compound 5","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C176 H232 N8 O24 -","8","2","","Brel, Orianne; Touré, Seindé; Levasseur, Marceau; Lechat, Christian; Pellissier, Léonie; Wolfender, Jean-Luc; Van-Elslande, Elsa; Litaudon, Marc; Dusfour, Isabelle; Stien, Didier; Eparvier, Véronique","Paecilosetin Derivatives as Potent Antimicrobial Agents from <i>Isaria farinosa</i>.","Journal of natural products","2020","83","10","2915","2922","10.1021/acs.jnatprod.0c00444","","x-ray","1.54187","CuKα","","0.1401","0.048","","","0.076","0.1131","","","","","","1.044","","","","has coordinates","258714","2020-11-04","01:27:57",""
"1559296","7.711","0.0002","8.0661","0.0002","12.5023","0.0003","90","","90","","90","","777.61","0.03","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C36 H32 N8 -","4","1","","Lording, William J.; Fallon, Thomas; Sherburn, Michael Stephen; Paddon-Row, Michael N","The Simplest Diels-Alder Reactions Are Not Endo-Selective","Chemical Science","2020","","","","","10.1039/D0SC04553E","","","0.71073","MoKα","","0.0443","0.0393","","0.1023","0.0996","0.1023","","","","","","1.0447","","","","has coordinates","258242","2020-10-21","18:00:00",""
"1559298","8.021","0.0002","10.0682","0.0002","29.3914","0.0007","90","","90","","90","","2373.56","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","1","","de Mattos-Shipley, Kate M. J.; Spencer, Catherine E.; Greco, Claudio; Heard, David M.; O'Flynn, Daniel E.; Dao, Trong T.; Song, Zhongshu; Mulholland, Nicholas P.; Vincent, Jason L.; Simpson, Thomas J.; Cox, Russell J.; Bailey, Andrew M.; Willis, Christine L.","Uncovering biosynthetic relationships between antifungal nonadrides and octadrides","Chemical Science","2020","","","","","10.1039/D0SC04309E","","","0.71073","MoKα","","0.0678","0.0547","","","0.1346","0.141","","","","","","1.059","","","","has coordinates,has disorder","258245","2020-10-21","18:00:00",""
"1559300","11.617","0.002","12.88","0.003","27.194","0.005","90","","90","","90","","4069","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O6 -","- C22 H28 O6 -","- C176 H224 O48 -","8","2","","de Mattos-Shipley, Kate M. J.; Spencer, Catherine E.; Greco, Claudio; Heard, David M.; O'Flynn, Daniel E.; Dao, Trong T.; Song, Zhongshu; Mulholland, Nicholas P.; Vincent, Jason L.; Simpson, Thomas J.; Cox, Russell J.; Bailey, Andrew M.; Willis, Christine L.","Uncovering biosynthetic relationships between antifungal nonadrides and octadrides","Chemical Science","2020","","","","","10.1039/D0SC04309E","","","1.54178","CuKα","","0.0541","0.0539","","","0.1383","0.1386","","","","","","1.048","","","","has coordinates","258245","2020-10-21","18:00:00",""
"1559305","6.6615","0.0002","9.1823","0.0002","22.2795","0.0006","90","","90","","90","","1362.79","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 Br O3 -","- C13 H21 Br O3 -","- C52 H84 Br4 O12 -","4","1","","Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.","Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F","Chemical Science","2020","","","","","10.1039/D0SC04120C","","","1.54184","CuKα","","0.0331","0.0326","","0.0923","0.0921","0.0923","","","","","","1.0686","","","","has coordinates","258262","2020-10-21","18:00:00",""
"1559306","8.3606","0.0003","13.1527","0.0007","14.3775","0.001","90","","90","","90","","1581.01","0.15","250","","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","1","","Chan, Hau Sun Sam; Thompson, Amber L.; Christensen, Kirsten E.; Burton, Jonathan W.","Forwards and backwards ‒ synthesis of Laurencia natural products using a biomimetic and retrobiomimetic strategy incorporating structural reassignment of laurefurenynes C‒F","Chemical Science","2020","","","","","10.1039/D0SC04120C","","","1.54184","CuKα","","0.0592","0.0431","","0.1267","0.103","0.1267","","","","","","1.0121","","","","has coordinates,has disorder","258262","2020-10-21","18:00:00",""
"1559310","10.5956","0.0004","11.0155","0.0004","17.0375","0.0006","90","","90","","90","","1988.55","0.13","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O7 -","- C20 H30 O7 -","- C80 H120 O28 -","4","1","","Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi","Cytotoxic Germacranolides from the Whole Plant of Carpesium minus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00428","","","1.54178","CuKα","","0.0378","0.0362","","","0.0892","0.0909","","","","","","1.045","","","","has coordinates","258273","2020-10-21","18:00:00",""
"1559311","10.3067","0.0002","10.8729","0.0002","17.3336","0.0004","90","","90","","90","","1942.47","0.07","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O7 -","- C20 H30 O7 -","- C80 H120 O28 -","4","1","","Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi","Cytotoxic Germacranolides from the Whole Plant of Carpesium minus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00428","","","1.54178","CuKα","","0.0312","0.0303","","","0.0759","0.0767","","","","","","1.056","","","","has coordinates","258274","2020-10-21","18:00:00",""
"1559312","9.4133","0.0002","12.7259","0.0003","16.595","0.0004","90","","90","","90","","1987.96","0.08","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","","Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi","Cytotoxic Germacranolides from the Whole Plant of Carpesium minus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00428","","","1.54184","CuKα","","0.0575","0.056","","","0.1422","0.1437","","","","","","1.023","","","","has coordinates","258275","2020-10-21","18:00:00",""
"1559313","10.2716","0.0002","12.1391","0.0002","17.1059","0.0003","90","","90","","90","","2132.9","0.07","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O7 -","- C20 H28 O7 -","- C80 H112 O28 -","4","1","","Zhu, Li; Liu, Xiao-Qin; Lin, Yao-Lan; Wang, Wen-Li; Luo, Jian-Guang; Kong, Ling-Yi","Cytotoxic Germacranolides from the Whole Plant of Carpesium minus","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00428","","","1.54184","CuKα","","0.0534","0.0517","","","0.1315","0.1338","","","","","","1.067","","","","has coordinates","258276","2020-10-21","18:00:00",""
"1559356","5.6906","0.0002","7.5658","0.0003","30.679","0.003","90","","90","","90","","1320.85","0.15","108.2","0.1","108.2","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O8 -","- C12 H18 O8 -","- C48 H72 O32 -","4","1","","Wang, Hai-Qiang; Ma, Shuang-Gang; Lin, Ming-Bao; Hou, Qi; Ma, Min; Yu, Shi-Shan","Hydroxylated Ethacrylic and Tiglic Acid Derivatives from the Stems and Branches of <i>Enkianthus chinensis</i> and Their Potential Anti-inflammatory Activities.","Journal of natural products","2020","83","10","2867","2876","10.1021/acs.jnatprod.0c00286","","x-ray","1.54184","CuKα","","0.0354","0.0332","","","0.0836","0.0855","","","","","","1.052","","","","has coordinates","258713","2020-11-04","01:27:40",""
"1559357","7.8647","0.0005","9.2285","0.0004","36.996","0.003","90","","90","","90","","2685.1","0.3","108.35","0.1","108.35","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O8 -","- C12 H18 O8 -","- C96 H144 O64 -","8","2","","Wang, Hai-Qiang; Ma, Shuang-Gang; Lin, Ming-Bao; Hou, Qi; Ma, Min; Yu, Shi-Shan","Hydroxylated Ethacrylic and Tiglic Acid Derivatives from the Stems and Branches of <i>Enkianthus chinensis</i> and Their Potential Anti-inflammatory Activities.","Journal of natural products","2020","83","10","2867","2876","10.1021/acs.jnatprod.0c00286","","x-ray","1.54184","CuKα","","0.0466","0.0434","","","0.1105","0.1131","","","","","","1.101","","","","has coordinates","258713","2020-11-04","01:27:41",""
"1559398","7.7819","0.0004","10.0468","0.0005","23.6401","0.0013","90","","90","","90","","1848.26","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.0793","0.0504","","","0.1136","0.1268","","","","","","1.029","","","","has coordinates","258575","2020-10-23","04:59:49",""
"1559399","7.7442","0.0006","10.0968","0.0008","23.675","0.0019","90","","90","","90","","1851.2","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28.74 O5 -","- C21 H28.74 O5 -","- C84 H114.96 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.1886","0.0747","","","0.123","0.1611","","","","","","0.981","","","","has coordinates","258575","2020-10-23","04:59:56",""
"1559400","7.7308","0.0007","10.1237","0.0009","23.694","0.002","90","","90","","90","","1854.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29.27 O5 -","- C21 H29.26 O5 -","- C84 H117.04 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.2847","0.0715","","","0.1271","0.1907","","","","","","0.967","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559401","7.6953","0.0009","10.1268","0.0011","23.619","0.003","90","","90","","90","","1840.6","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29.48 O5 -","- C21 H29.48 O5 -","- C84 H117.92 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.118","0.1038","","","0.3033","0.315","","","","","","1.048","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559402","10.1439","0.0014","12.4255","0.0016","30.496","0.005","90","","90","","90","","3843.8","1","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O5 -","- C21 H30 O5 -","- C168 H240 O40 -","8","2","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","1.54178","CuKα","","0.4719","0.098","","","0.2175","0.3915","","","","","","0.828","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559410","7.22366","0.00016","16.5577","0.0004","20.6478","0.0005","90","","90","","90","","2469.63","0.1","180.9","","180.9","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 O7 -","- C28 H27 N3 O7 -","- C112 H108 N12 O28 -","4","1","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","","1.54184","CuKα","","0.0402","0.0356","","","0.0914","0.0967","","","","","","1.07","","","","has coordinates","258604","2020-10-27","00:08:57",""
"1559414","9.05425","0.00019","14.2458","0.0003","22.2227","0.0004","90","","90","","90","","2866.4","0.1","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H29 N5 O5 -","- C37 H29 N5 O5 -","- C148 H116 N20 O20 -","4","1","","Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe","Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy","Journal of Medicinal Chemistry","2020","","","","","10.1021/acs.jmedchem.0c01271","","x-ray","1.54184","CuKα","","0.0583","0.0525","","","0.1375","0.1403","","","","","","1.042","","","","has coordinates","258608","2020-10-27","00:10:35",""
"1559418","11.275","0.0003","14.6945","0.0005","24.4728","0.0007","90","","90","","90","","4054.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H54 Cl2 N4 O6 -","- C43 H50 Cl2 N4 O6 -","- C172 H200 Cl8 N16 O24 -","4","1","","Yi, Wen-Fang; Ding, Xiao; Chen, Yuan-Zhi; Adelakun, Tiwalade A.; Zhang, Yu; Hao, Xiao-Jiang","Tabernaesines A-I, Cytotoxic Aspidosperma-Aspidosperma-Type Bisindole Alkaloids from <i>Tabernaemontana pachysiphon</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b00768","","","1.54178","CuKα","","0.0975","0.0968","","","0.2739","0.2747","","","","","","1.092","","","","has coordinates","258638","2020-10-30","00:16:31",""
"1559435","9.6181","0.0007","11.8325","0.001","21.1656","0.0016","90","","90","","90","","2408.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl6 N2 O4 -","- C18 H24 Cl6 N2 O4 -","- C72 H96 Cl24 N8 O16 -","4","1","","Yan, Luping; Banuelos, Carmen A.; Mawji, Nasrin R.; Patrick, Brian O.; Sadar, Marianne D.; Andersen, Raymond J.","Structure‒Activity Relationships for the Marine Natural Product Sintokamides: Androgen Receptor N-Terminus Antagonists of Interest for Treatment of Metastatic Castration-Resistant Prostate Cancer","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00921","","x-ray","0.71073","MoKα","","0.0446","0.0371","","","0.0824","0.0865","","","","","","1.039","","","","has coordinates","258659","2020-10-31","00:16:55",""
"1559444","7.245","0.004","11.637","0.005","22.993","0.008","90","","90","","90","","1938.5","1.5","","","143","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R,R)-Tartrate Salt of (‒)-(S)-Ketamine","","","- C17 H26 Cl N O9 -","- C17 Cl N O9 -","- C68 Cl4 N4 O36 -","4","1","","Ratti-Moberg, Enrica; Groth, Per; Aasen, Arne Jorgen","The Absolute Configuration of Ketamine ‒ a General Anaesthetic. The Crystal Structure of the (R,R)-Tartrate Salt of (‒)-(S)-Ketamine","Acta Chemica Scandinavica","1991","45","","108","110","10.3891/acta.chem.scand.45-0108","","x-ray","0.71069","MoKα","","","0.0449","","","0.0424","","","","","","","","","","","has coordinates","258679","2020-11-03","08:42:02",""
"1559449","9.622","0.001","16.707","0.001","20.529","0.002","90","","90","","90","","3300.1","0.5","","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cis-2-(1-Hydroxy-1-methylethyl)-5-methylpyrrolidine (S)-Mandelate Salt","","","- C16 H25 N O4 -","- C16 H4 N O4 -","- C128 H32 N8 O32 -","8","2","","Dahlen, Erik; Hjalmarsson, Mats; Norin, Torbjorn; Csoregh, Ingeborg; Ertan, Anne","Synthesis and Resolution of cis-2-(1-Hydroxy-1-methylethyl)-5-methylpyrrolidine and X-Ray Crystal Structure of its (S)-Mandelate Salt","Acta Chemica Scandinavica","1991","45","","200","205","10.3891/acta.chem.scand.45-0200","","x-ray","1.5418","CuKα","","","0.051","","","0.055","","","","","","","","","","","has coordinates","258684","2020-11-03","15:48:57",""
"1559460","10.165","0.001","12.929","0.001","16.417","0.002","90","","90","","90","","2157.6","0.4","","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl (2S,3S)-3-Triphenylmethylaminooxolan-2-ylacetate","","","- C26 H27 N O3 -","- C26 N O3 -","- C104 N4 O12 -","4","1","","Papaioannou, Dionissios; Francis, George W.; Maartmann-Moe, Knut","Crystal Structure of Methyl (2S,3S)-3-Triphenylmethylaminooxolan-2-ylacetate","Acta Chemica Scandinavica","1991","45","","327","328","10.3891/acta.chem.scand.45-0327","","x-ray","0.71073","MoKα","","","0.043","","","0.037","","","","","","","1.42","","","","has coordinates","258738","2020-11-05","09:42:43",""
"1559468","9.0997","0.0001","14.0995","0.0002","14.9908","0.0002","90","","90","","90","","1923.34","0.04","93.15","","93.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[3-(1,4,7,10-tetraazacyclododecam-1-yl)propan-1-amine]zinc(II)","","- C11 H27 Cl2 N5 O8 Zn -","- C11 H27 Cl2 N5 O8 Zn -","- C44 H108 Cl8 N20 O32 Zn4 -","4","1","","ICHIMARU, Yoshimi; IMAI, Masanori; FUJIOKA, Haruto; HIEDA, Yuhzo; KOIKE, Tohru; KUROSAKI, Hiromasa; KATO, Koichi","Crystal Structure of [3-(1,4,7,10-Tetraazacyclododecan-1-yl)propan-1-amine]zinc(II) Bis(perchlorate), [Zn<sup>II</sup>L](ClO<sub>4</sub>)<sub>2</sub>","X-ray Structure Analysis Online","2020","36","0","43","44","10.2116/xraystruct.36.43","","x-ray","1.54184","CuKa","","0.0218","0.0214","","","0.0535","0.0538","","","","","","1.06","","","","has coordinates","258999","2020-11-06","13:29:47",""
"1559474","5.08626","0.00008","9.37609","0.00016","12.9631","0.0002","90","","90","","90","","618.2","0.017","368","","368","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Monoammine_barium_borohydride","","","- B2 Ba H11 N -","- B2 Ba H11 N -","- B8 Ba4 H44 N4 -","4","1","","Grinderslev, Jakob B.; Amdisen, Mads B.; Jensen, Torben R.","Synthesis, Crystal Structures and Thermal Properties of Ammine Barium Borohydrides","Inorganics","2020","8","10","57","","10.3390/inorganics8100057","powder diffraction","","","Synchrotron","","","","","","","","","3.0385","1528.14","","","","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1559484","6.1056","0.0003","10.8114","0.0007","15.5867","0.0009","90","","90","","90","","1028.88","0.1","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane","","- C8 H16 N2 Si -","- C8 H16 N2 Si -","- C32 H64 N8 Si4 -","4","1","SJ4215","Böhme, Uwe; Bitto, Florian","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)trimethylsilane","IUCrData","2020","5","11","x201444","","10.1107/S2414314620014443","","","0.71073","MoKα","","0.0313","0.0296","","","0.0786","0.0802","","","","","","1.091","","","","has coordinates,has Fobs","259032","2020-11-07","05:33:31",""
"1559506","6.784","0.003","23.336","0.007","29.173","0.011","90","","90","","90","","4618","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 O5.5 -","- C26 H34 O5.5 -","- C208 H272 O44 -","8","2","","Li, Wei; Shao, Ya-Ting; Yin, Tian-Peng; Yan, Hui; Shen, Bao-Chun; Li, Yuan-Yi; Xie, Hui-Ding; Sun, Zhong-Wen; Ma, Yu-Lu","Penisarins A and B, Sesquiterpene Coumarins Isolated from an Endophytic <i>Penicillium</i> sp.","Journal of natural products","2020","83","11","3471","3475","10.1021/acs.jnatprod.0c00393","","","1.54178","CuKα","","0.1765","0.0919","","","0.2369","0.3035","","","","","","1.007","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1559509","6.32712","0.00004","17.39284","0.00013","21.08445","0.00016","90","","90","","90","","2320.27","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O4 -","- C28 H37 N O4 -","- C112 H148 N4 O16 -","4","1","","Guo, Yong-Wei; Liu, Xiao-Jing; Yuan, Jie; Li, Hou-Jin; Mahmud, Taifo; Hong, Ming-Jun; Yu, Jian-Chen; Lan, Wen-Jian","l-Tryptophan Induces a Marine-Derived <i>Fusarium</i> sp. to Produce Indole Alkaloids with Activity against the Zika Virus.","Journal of natural products","2020","83","11","3372","3380","10.1021/acs.jnatprod.0c00717","","x-ray","1.54184","CuKα","","0.0308","0.0293","","","0.0752","0.0773","","","","","","1.053","","","","has coordinates","259528","2020-12-04","02:26:17",""
"1559511","6.307","0.001","8.142","0.001","42.546","0.015","90","","90","","90","","2184.8","0.9","","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-(Z)-anti-7-chlorofenchone oxime], (+)-(Z)-1,3-dimethyl-exo-3- chloromethylbicyclo[2.2.1]-heptan-2-one oxime","","","- C10 H16 Cl N O -","- C10 Cl N O -","- C80 Cl8 N8 O8 -","8","2","","Rissanen, Kari; Laihia, Katri; Korvola, Jorma; Kolehmainen, Erkki","X-Ray Diffraction Study on (+)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one {(+)-Fenchone} (Z)-Oxime, Two Monochloro Derivatives and a Dehydrohalogenation Product","Acta Chemica Scandinavica","1991","45","","751","757","10.3891/acta.chem.scand.45-0751","","x-ray","0.71069","MoKα","","","0.056","","","0.082","","","","","","","1.6","","","","has coordinates","259141","2020-11-14","10:28:50",""
"1559535","6.4025","0.0004","11.0913","0.0007","23.6652","0.0014","90","","90","","90","","1680.51","0.18","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Klein Hendges, Ana Paula P.; Dos Santos, Elaine Fernanda; Teixeira, Sirlei D.; Santana, Francielli S.; Trezzi, Michelangelo M.; Batista, Andrea N. L.; Batista, Jr, Joao M; de Lima, Vanderlei A.; de Assis Marques, Francisco; Maia, Beatriz Helena L N Sales","Phytotoxic Neocassane Diterpenes from <i>Eragrostis plana</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.0c00324","","","0.71073","MoKα","","0.0548","0.0411","","","0.0941","0.1001","","","","","","1.062","","","","has coordinates","259182","2020-11-19","00:13:00",""
"1559555","10.54","0.001","11.491","0.001","16.768","0.001","90","","90","","90","","2030.9","0.3","","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-(4-Tolylsulfonyl)-8-thiomethyl-1-thia-10-aza[2.2]metacyclophane","","","- C22 H21 N O2 S3 -","- C22 N O2 S3 -","- C88 N4 O8 S12 -","4","1","","Rissanen, Kari; Ostrowicki, Andreas; Vogtle, Fritz","Crystal Structure and Absolute Configuration of a New Highly Strained Helical Heterocyclic Molecule: (+)365-(P)-N-(4-Tolylsulfonyl)-8-thiomethyl-1-thia-10-aza[2.2]metacyclophane","Acta Chemica Scandinavica","1990","44","","268","273","10.3891/acta.chem.scand.44-0268","","x-ray","0.71073","MoKα","","","0.028","","","0.041","","","","","","","1.5","","","","has coordinates","259258","2020-11-26","10:12:33",""
"1559625","12.1462","0.0004","14.4267","0.0005","37.4462","0.0013","90","","90","","90","","6561.7","0.4","20","2","20","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.066","0.0567","","","0.1358","0.1424","","","","","","1.052","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559630","12.3394","0.0016","14.4779","0.0018","37.612","0.005","90","","90","","90","","6719.3","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.1438","0.0813","","","0.1947","0.2292","","","","","","1.026","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559632","12.301","0.0009","14.4564","0.001","37.499","0.003","90","","90","","90","","6668.4","0.9","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.1441","0.09","","","0.2276","0.2656","","","","","","1.035","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559634","12.2859","0.0008","14.4505","0.0009","37.464","0.002","90","","90","","90","","6651.3","0.7","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.1493","0.0978","","","0.2501","0.2896","","","","","","1.03","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559654","13.1243","0.0003","15.2075","0.0003","16.3433","0.0003","90","","90","","90","","3261.92","0.12","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 N O3 Si -","- C31 H53 N O3 Si -","- C124 H212 N4 O12 Si4 -","4","1","","Homma, Chihiro; Takeshima, Aika; Kano, Taichi; Maruoka, Keiji","Construction of chiral α-<i>tert</i>-amine scaffolds <i>via</i> amine-catalyzed asymmetric Mannich reactions of alkyl-substituted ketimines.","Chemical science","2020","12","4","1445","1450","10.1039/d0sc05269h","","","0.71073","MoKα","","0.0295","0.0275","","","0.0667","0.068","","","","","","1.04","","","","has coordinates","267060","2021-07-05","16:48:26",""
"1559690","9.1549","0.0001","17.1711","0.0001","21.808","0.0001","90","","90","","90","","3428.21","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 O11 -","- C37 H50 O11 -","- C148 H200 O44 -","4","1","","Song, Min; Zhang, Jian; Chan, Ging; Hou, Ying; Chen, Xiu-Ping; Zhang, Xiao-Qi; Ye, Wen-Cai; Zhang, Qing-Wen","Bioactive Limonoids and Triterpenoids from the Fruits of <i>Melia azedarach</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01151","","x-ray","1.54184","CuKα","","0.0319","0.0314","","","0.082","0.0826","","","","","","1.05","","","","has coordinates","259417","2020-12-02","00:11:44",""
"1559691","13.757","0.0001","15.5959","0.0001","16.8013","0.0002","90","","90","","90","","3604.77","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H50 O12 -","- C39 H50 O12 -","- C156 H200 O48 -","4","1","","Song, Min; Zhang, Jian; Chan, Ging; Hou, Ying; Chen, Xiu-Ping; Zhang, Xiao-Qi; Ye, Wen-Cai; Zhang, Qing-Wen","Bioactive Limonoids and Triterpenoids from the Fruits of <i>Melia azedarach</i>.","Journal of natural products","2020","","","","","10.1021/acs.jnatprod.9b01151","","x-ray","1.54184","CuKα","","0.0347","0.0327","","","0.091","0.0925","","","","","","1.052","","","","has coordinates","259418","2020-12-02","00:12:07",""
"1559703","9.2554","0.0003","11.5721","0.0004","31.9214","0.001","90","","90","","90","","3418.92","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol","","- C42 H37 N O2 -","- C42 H37 N O2 -","- C168 H148 N4 O8 -","4","1","SJ4216","Show, Veronica L.; Fok, Emily Y.; Johnson, Adam R.","2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol","IUCrData","2020","5","12","x201576","","10.1107/S241431462001576X","","x-ray","0.71073","MoKα","","0.0973","0.0524","","","0.0976","0.1122","","","","","","1.007","","","","has coordinates,has Fobs","259558","2020-12-05","05:47:04",""
"1559742","13.2976","0.0002","25.7772","0.0002","38.6074","0.0007","90","","90","","90","","13233.6","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C123.64 H127.46 F9 Lu N9.82 O29 S3 -","- C123.584 H127.376 F9 Lu N9.792 O29 S3 -","- C494.336 H509.504 F36 Lu4 N39.168 O116 S12 -","4","1","","Song, Yiwei; Schaufelberger, Fredrik; Ashbridge, Zoe; Pirvu, Lucian; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Effects of turn-structure on folding and entanglement in artificial molecular overhand knots.","Chemical science","2020","12","5","1826","1833","10.1039/d0sc05897a","","x-ray","0.6889","Synchrotron","","0.1254","0.078","","","0.2195","0.2503","","","","","","1.015","","","","has coordinates,has disorder","267052","2021-07-05","16:45:17",""
"1559756","6.0147","0.0002","18.8172","0.0004","20.453","0.0005","90","","90","","90","","2314.87","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol","","- C28 H24 F N O2 -","- C28 H24 F N O2 -","- C112 H96 F4 N4 O8 -","4","1","HB4369","Sha, Fanrui; Johnson, Adam R.","4-Fluoro-2-({[(2<i>R</i>)-1-hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)phenol","IUCrData","2020","5","12","x201580","","10.1107/S2414314620015801","","x-ray","0.71073","MoKα","","0.0616","0.0448","","","0.0918","0.0979","","","","","","1.031","","","","has coordinates,has Fobs","259835","2020-12-12","06:04:21",""
"1559757","10.8217","0.0002","11.1644","0.0002","18.2804","0.0005","90","","90","","90","","2208.6","0.08","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ircinianin","(2<i>S</i>,3'<i>S</i>,3a'<i>R</i>,5'<i>R</i>,7a'<i>R</i>)-5'-[(<i>E</i>)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5<i>H</i>-spiro[furan-2,4'-inden]-5-one","","- C25 H32 O4 -","- C25 H32 O4 -","- C100 H128 O16 -","4","1","BT4103","Majer, Thomas; Schollmeyer, Dieter; Koch, Pierre; Gross, Harald","(2<i>S</i>,3'<i>S</i>,3a'<i>R</i>,5'<i>R</i>,7a'<i>R</i>)-5'-[(<i>E</i>)-5-(Furan-3-yl)-2-methylpent-1-en-1-yl]-3-hydroxy-3',4,7'-trimethyl-1',2',3',3a',5',7a'-hexahydro-5<i>H</i>-spiro[furan-2,4'-inden]-5-one","IUCrData","2020","5","12","x201578","","10.1107/S2414314620015783","","","1.54186","CuKα","","0.033","0.032","","","0.0841","0.0856","","","","","","1.077","","","","has coordinates,has Fobs","259836","2020-12-12","06:04:51",""
"1559767","8.3617","0.0003","13.8207","0.0006","16.0698","0.0006","90","","90","","90","","1857.1","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N6 O4 -","- C18 H26 N6 O4 -","- C72 H104 N24 O16 -","4","1","","Millward, Makenzie J.; Ellis, Emily; Ward, John W.; Clayden, Jonathan","Hydantoin-bridged medium ring scaffolds by migratory insertion of urea-tethered nitrile anions into aromatic C-N bonds.","Chemical science","2020","12","6","2091","2096","10.1039/d0sc06188c","","","0.71073","MoKα","","0.0444","0.0355","","","0.0754","0.08","","","","","","1.018","","","","has coordinates","267082","2021-07-05","16:53:30",""
"1559791","38.1062","0.0017","38.2685","0.0016","46.9136","0.0019","90","","90","","90","","68413","5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H535 Ce5 Mo122 N20 Na2 O616 -","- C35 H48 Ce5 Mo122 N17.5 O507.25 -","- C140 H192 Ce20 Mo488 N70 O2029 -","4","1","","She, Shan; Xuan, Weimin; Bell, Nicola L.; Pow, Robert; Ribo, Eduard Garrido; Sinclair, Zoe; Long, De-Liang; Cronin, Leroy","Peptide sequence mediated self-assembly of molybdenum blue nanowheel superstructures.","Chemical science","2020","12","7","2427","2432","10.1039/d0sc06098d","","","0.71073","MoKα","","0.1091","0.0766","","","0.1927","0.2314","","","","","","1.086","","","","has coordinates,has disorder","267090","2021-07-05","16:56:20",""
"1559794","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","x-ray","0.71073","MoKα","","0.0196","0.0196","","","0.0332","0.0332","","","","","","1.2147","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559796","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Kleemiss, Florian; Dolomanov, Oleg V.; Bodensteiner, Michael; Peyerimhoff, Norbert; Midgley, Laura; Bourhis, Luc J.; Genoni, Alessandro; Malaspina, Lorraine A.; Jayatilaka, Dylan; Spencer, John L.; White, Fraser; Grundkötter-Stock, Bernhard; Steinhauer, Simon; Lentz, Dieter; Puschmann, Horst; Grabowsky, Simon","Accurate crystal structures and chemical properties from NoSpherA2.","Chemical science","2020","12","5","1675","1692","10.1039/d0sc05526c","","","0.5259","synchrotron","","0.0158","0.0158","","","0.0308","0.0308","","","","","","1.2843","","","","has coordinates","267059","2021-07-05","16:48:19",""
"1559808","6.6263","0.0001","12.3911","0.0002","16.6583","0.0003","90","","90","","90","","1367.77","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun","Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2.","Journal of agricultural and food chemistry","2020","68","52","15440","15448","10.1021/acs.jafc.0c05586","","","1.54178","CuKα","","0.028","0.0279","","","0.0718","0.0718","","","","","","1.1","","","","has coordinates","260431","2021-01-04","03:17:01",""
"1559809","22.252","0.002","6.8553","0.0006","8.7551","0.0008","90","","90","","90","","1335.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun","Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2.","Journal of agricultural and food chemistry","2020","68","52","15440","15448","10.1021/acs.jafc.0c05586","","","1.54178","CuKα","","0.1309","0.0815","","","0.1901","0.2334","","","","","","1.066","","","","has coordinates","260431","2021-01-04","03:17:01",""
"1559810","6.3065","0.0003","7.0893","0.0003","32.1064","0.0014","90","","90","","90","","1435.43","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Shi, Zhen-Zhen; Liu, Xiang-Hong; Li, Xiao-Nian; Ji, Nai-Yun","Antifungal and Antimicroalgal Trichothecene Sesquiterpenes from the Marine Algicolous Fungus <i>Trichoderma brevicompactum</i> A-DL-9-2.","Journal of agricultural and food chemistry","2020","68","52","15440","15448","10.1021/acs.jafc.0c05586","","","1.54178","CuKα","","0.028","0.0278","","","0.0763","0.0764","","","","","","1.064","","","","has coordinates","260431","2021-01-04","03:17:01",""
"1559812","6.8203","0.0008","8.6934","0.001","15.865","0.002","90","","90","","90","","940.66","0.19","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl α-<i>L</i>-sorboside","","- C8 H16 O6 -","- C8 H16 O6 -","- C32 H64 O24 -","4","1","BV4033","Nagayama, Natsumi; Taniguchi, Norito; Matsumoto, Mao; Takeshita, Kei; Ishii, Tomohiko","Ethyl α-<small>L</small>-sorboside","IUCrData","2020","5","12","x201625","","10.1107/S2414314620016259","","","1.54187","CuKα","","0.0398","0.0366","","","0.0891","0.0904","","","","","","1.073","","","","has coordinates,has Fobs","260019","2020-12-19","06:56:33",""
"1559847","5.9196","0.0003","7.3562","0.0004","21.1126","0.0012","90","","90","","90","","919.36","0.09","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2-<i>O</i>-Isopropylidene-β-D-<i>lyxo</i>-furanose","","- C8 H14 O5 -","- C8 H14 O5 -","- C32 H56 O20 -","4","1","ZQ4044","Doboszewski, Bogdan; Nazarenko, Alexander Y.","1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose","IUCrData","2020","5","12","x201630","","10.1107/S2414314620016302","","","0.71073","MoKα","","0.0566","0.0425","","","0.1004","0.1086","","","","","","1.028","","","","has coordinates,has Fobs","260117","2020-12-23","06:30:04",""
"1559848","5.9216","0.0003","7.3539","0.0004","21.1087","0.0012","90","","90","","90","","919.22","0.09","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O5 -","- C8 H14 O5 -","- C32 H56 O20 -","4","1","","Doboszewski, Bogdan; Nazarenko, Alexander Y.","1,2-<i>O</i>-Isopropylidene-β-<small>D</small>-<i>lyxo</i>-furanose","IUCrData","2020","5","12","x201630","","10.1107/S2414314620016302","","","1.54178","CuKα","","0.0775","0.0303","","","0.0757","0.0895","","","","","","1.052","","","","has coordinates","260118","2020-12-23","06:30:24",""
"1559862","14.237","0.0001","18.7126","0.0002","19.1013","0.0002","90","","90","","90","","5088.8","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H69 K2 O14 -","- C51 H69 K2 O14 -","- C204 H276 K8 O56 -","4","1","","Ahmed, Jasimuddin; Datta, Paramita; Das, Arpan; Jomy, Stephy; Mandal, Swadhin K.","Switching between mono and doubly reduced odd alternant hydrocarbon: designing a redox catalyst.","Chemical science","2020","12","8","3039","3049","10.1039/d0sc05972b","","x-ray","1.54184","CuKα","","0.0415","0.0407","","","0.1069","0.1077","","","","","","1.028","","","","has coordinates","267050","2021-07-05","16:44:53",""
"1559875","10.8152","0.0002","12.5754","0.0002","20.1202","0.0003","90","","90","","90","","2736.46","0.08","252","2","252","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N3 O5 -","- C30 H27 N3 O5 -","- C120 H108 N12 O20 -","4","1","","Xiao, Wanlong; Mo, Yuhao; Guo, Jing; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Catalytic enantioselective synthesis of macrodiolides and their application in chiral recognition.","Chemical science","2020","12","8","2940","2947","10.1039/d0sc06162j","","","1.54178","CuKα","","0.043","0.0363","","","0.0857","0.0925","","","","","","1.052","","","","has coordinates,has disorder","267051","2021-07-05","16:45:05",""
"1559882","7.6151","0.0002","12.9911","0.0004","17.461","0.0005","90","","90","","90","","1727.39","0.09","293.15","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1","17F4","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Moe, The S.; Chaturonrutsamee, Suppisak; Bunteang, Samreang; Kuhakarn, Chutima; Prabpai, Samran; Surawatanawong, Panida; Chairoungdua, Arthit; Suksen, Kanoknetr; Akkarawongsapat, Radeekorn; Limthongkul, Jitra; Napaswad, Chanita; Nuntasaen, Narong; Reutrakul, Vichai","Boesenmaxane Diterpenoids from Boesenbergia maxwellii","Journal of Natural Products","2020","","","","","10.1021/acs.jnatprod.0c00629","","","1.54178","CuKα","","0.0747","0.0726","","","0.1912","0.1952","","","","","","1.046","","","","has coordinates","260215","2020-12-30","00:30:24",""
"1559887","5.36239","0.00009","16.6313","0.0003","17.2165","0.0003","90","","90","","90","","1535.43","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 Ni O2 -","- C20 H14 N2 Ni O2 -","- C80 H56 N8 Ni4 O8 -","4","1","","Collett, Joel D.; Krause, Jeanette A.; Guan, Hairong","Multiweek Experiments for an Inorganic Chemistry Laboratory Course: Synthesis of Nickel Complexes Supported by a Tetradentate Ligand with a N2O2 Donor Set","Journal of Chemical Education","2020","","","","","10.1021/acs.jchemed.0c01117","","","1.54178","CuKα","","0.0245","0.0236","","","0.0607","0.0613","","","","","","1.078","","","","has coordinates","260275","2020-12-31","00:19:34",""
"1559923","11.5284","0.0002","13.0274","0.0002","17.2404","0.0002","90","","90","","90","","2589.25","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Asperginol A","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","1","","Al-Khdhairawi, Amjad Ayad Qatran; Low, Yun-Yee; Manshoor, Nurhuda; Arya, Aditya; Jelecki, Maciej; Alshawsh, Mohammed Abdullah; Kamran, Sareh; Suliman, Rasha Saad; Low, Anis; Shivanagere Nagojappa, Narendra Babu; Weber, Jean-Frédéric F","Asperginols A and B, Diterpene Pyrones, from an <i>Aspergillus</i> sp. and the Structure Revision of Previously Reported Analogues.","Journal of natural products","2020","83","12","3564","3570","10.1021/acs.jnatprod.0c00618","","x-ray","1.54184","CuKα","","0.0457","0.0405","","","0.1065","0.1118","","","","","","1.034","","","","has coordinates","260401","2021-01-04","00:29:35",""
"1559925","7.2637","0.0003","11.5713","0.0005","25.4564","0.001","90","","90","","90","","2139.62","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O8 -","- C23 H32 O8 -","- C92 H128 O32 -","4","1","","Dai, Jia-Meng; Hu, Kun; Yan, Bing-Chao; Li, Xing-Ren; Li, Xiao-Nian; Sun, Han-Dong; Puno, Pema-Tenzin","<i>ent</i>-Kaurane-Based Diterpenoids, Dimers, and Meroditerpenoids from <i>Isodon xerophilus</i>.","Journal of natural products","2020","83","12","3717","3725","10.1021/acs.jnatprod.0c00983","","","1.54178","CuKα","","0.0262","0.0261","","","0.0676","0.0676","","","","","","1.048","","","","has coordinates","260403","2021-01-04","00:30:35",""
"1559928","6.1914","0.001","10.3895","0.002","31.1388","0.0027","90","","90","","90","","2003","0.5","","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Tetraol","","","- C20 H34 O4 -","- C20 H34 O P3 -","- C80 H136 O4 P12 -","4","1","","Arndt, Rolf; Berg, Jan-Eric; Wahlberg, Inger","Tobacco Chemistry. 71. Structure Determination and Biomimetic Studies of Five New Tobacco Cembranoid","Acta Chemica Scandinavica","1990","44","","814","825","10.3891/acta.chem.scand.44-0814","","x-ray","1.54184","CuKα","","","0.058","","","0.083","0.087","","","","","","","","","","has coordinates","260442","2021-01-04","10:37:01",""
"1559951","9.951","0.002","14.645","0.002","17.163","0.002","90","","90","","90","","2501.2","0.7","","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Methyl-1,1-Diphenyl-3-(1-piperidyl)-1-propanol Mandelate","","","- C29 H35 N O4 -","- C29 N O4 -","- C116 N4 O16 -","4","1","","Sjo, Peter; Groth, Per; Aasen, Arne Jorgen","Anticholinergic Agents. 2. Absolute Configurations of 2-Methyl-1,1-Diphenyl-3-(1-piperidyl)-1-propanol and 2-Methyl-1,1-diphenyl-3-(1-pyrrolidyl)-1-propanol. Crystal Structures of the Corresponding Mandelates","Acta Chemica Scandinavica","1990","44","","957","962","10.3891/acta.chem.scand.44-0957","","x-ray","0.71069","MoKα","","","0.043","","","0.045","","","","","","","","","","","has coordinates","260529","2021-01-05","09:38:35",""
"1559952","9.908","0.003","14.572","0.005","17.075","0.004","90","","90","","90","","2465.3","1.3","","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Methyl-1,1-diphenyl-3-(1-pyrrolidyl)-1-propanol Mandelate","","","- C28 H33 N O4 -","- C28 N O4 -","- C112 N4 O16 -","4","1","","Sjo, Peter; Groth, Per; Aasen, Arne Jorgen","Anticholinergic Agents. 2. Absolute Configurations of 2-Methyl-1,1-Diphenyl-3-(1-piperidyl)-1-propanol and 2-Methyl-1,1-diphenyl-3-(1-pyrrolidyl)-1-propanol. Crystal Structures of the Corresponding Mandelates","Acta Chemica Scandinavica","1990","44","","957","962","10.3891/acta.chem.scand.44-0957","","x-ray","0.71069","MoKα","","","0.046","","","0.045","","","","","","","","","","","has coordinates","260530","2021-01-05","09:38:49",""
"1559985","13.9723","0.0002","15.8539","0.0002","16.9858","0.0002","90","","90","","90","","3762.62","0.08","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(NNTBS)Yb(THF)3","","- C34 H62 Fe N2 O3 Si2 Yb -","- C34 H62 Fe N2 O3 Si2 Yb -","- C136 H248 Fe4 N8 O12 Si8 Yb4 -","4","1","","Xiao, Yuyuan; Zhao, Xiao-Kun; Wu, Tianpin; Miller, Jeffrey T.; Hu, Han-Shi; Li, Jun; Huang, Wenliang; Diaconescu, Paula L.","Distinct electronic structures and bonding interactions in inverse-sandwich samarium and ytterbium biphenyl complexes.","Chemical science","2020","12","1","227","238","10.1039/d0sc03555f","","x-ray","0.71073","MoKα","","0.0183","0.0175","","","0.0397","0.0399","","","","","","1.033","","","","has coordinates","267046","2021-07-05","16:43:55",""
"1560031","10.5444","0.0003","18.4631","0.0004","31.5083","0.0007","90","","90","","90","","6134.1","0.3","99.9","0.6","99.9","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1","1","","- C52 H96 O Si8 U2 -","- C52 H96 O Si8 U2 -","- C208 H384 O4 Si32 U8 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0317","0.0287","","","0.0619","0.0637","","","","","","1.029","","","","has coordinates","263685","2021-04-05","14:19:37",""
"1560036","11.40224","0.00011","16.98119","0.00018","17.03377","0.00015","90","","90","","90","","3298.14","0.06","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2","C28H52OSi4U","","- C28 H52 O Si4 U -","- C28 H52 O Si4 U -","- C112 H208 O4 Si16 U4 -","4","1","","Tsoureas, Nikolaos; Mansikkamäki, Akseli; Layfield, Richard A.","Synthesis, bonding properties and ether activation reactivity of cyclobutadienyl-ligated hybrid uranocenes","Chemical Science","2021","12","8","2948","2954","10.1039/D0SC05199C","","x-ray","1.54184","CuKα","","0.0281","0.0273","","","0.0641","0.0647","","","","","","1.023","","","","has coordinates,has disorder","263685","2021-04-05","14:19:37",""
"1560074","6.5109","0.0008","8.5749","0.0012","26.234","0.004","90","","90","","90","","1464.7","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R,E)-3-benzyl-4-benzylidenetetrahydrofuran-3-ol","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu","Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME","Catalysis Science & Technology","2021","11","6","2306","2315","10.1039/D0CY02470H","","","0.71073","MoKα","","0.0752","0.0551","","","0.1249","0.1397","","","","","","1.028","","","","has coordinates","263613","2021-04-05","13:50:01",""
"1560077","7.869","0.0001","15.7511","0.0002","17.6113","0.0003","90","","90","","90","","2182.84","0.05","149.98","0.18","149.98","0.18","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 Al N2 O4 -","- C23 H29 Al N2 O4 -","- C92 H116 Al4 N8 O16 -","4","1","","Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.","Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide","Catalysis Science & Technology","2021","11","5","1737","1745","10.1039/D0CY02164D","","x-ray","1.54184","CuKα","","0.0391","0.0362","","","0.0957","0.098","","","","","","1.039","","","","has coordinates","263610","2021-04-05","13:49:36",""
"1560078","17.214","0.002","14.4042","0.0016","5.5668","0.0007","90","","90","","90","","1380.3","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-benzoylcarbazole","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","","Li, Hui; Li, Huanhuan; Gu, Jie; He, Fei; Peng, Hao; Tao, Ye; Tian, Dan; Yang, Qingqing; Li, Ping; Zheng, Chao; Huang, Wei; Chen, Runfeng","Fluorine-induced aggregate-interlocking for color-tunable organic afterglow with a simultaneously improved efficiency and lifetime","Chemical Science","2021","12","10","3580","3586","10.1039/D0SC06025A","","","1.54178","CuK\α","","0.085","0.051","","0.074","","0.059","","","0.972","","","0.968","","","","has coordinates","263669","2021-04-05","14:13:56",""
"1560094","8.0941","0.0008","17.5936","0.0015","32.602","0.003","90","","90","","90","","4642.7","0.7","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TB-343","","","- C51 H48 O6 S -","- C51 H48 O6 S -","- C204 H192 O24 S4 -","4","1","","Bartelmann, Thomas; Gnannt, Frederik; Zitzmann, Max; Mayer, Peter; Dube, Henry","Sulfoxide hemithioindigo tweezers ‒ visible light addressable capture and release","Chemical Science","2021","12","10","3651","3659","10.1039/D0SC04981F","","","0.71073","MoKα","","0.0792","0.0526","","","0.1203","0.1335","","","","","","1.058","","","","has coordinates","263679","2021-04-05","14:17:42",""
"1560099","9.9241","0.0003","11.0168","0.0004","24.6334","0.0009","90","","90","","90","","2693.21","0.16","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O -","- C14 H19 N O -","- C112 H152 N8 O8 -","8","2","","Wang, Yandong; Bai, Jingyi; Yang, Youqing; Zhao, Wenxuan; Liang, Yong; Wang, Di; Zhao, Yue; Shi, Zhuangzhi","Rhodium-catalysed selective C‒C bond activation and borylation of cyclopropanes","Chemical Science","2021","12","10","3599","3607","10.1039/D0SC06186G","","","1.34139","GaKα","","0.1014","0.0607","","","0.1636","0.2009","","","","","","1.018","","","","has coordinates,has disorder","263664","2021-04-05","14:11:49",""
"1560121","11.494","0.002","13.09","0.002","14.921","0.003","90","","90","","90","","2245","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H34 I2 N4 Zn2 -","- C13 H34 I2 N4 Zn2 -","- C52 H136 I8 N16 Zn8 -","4","1","","Kurogi, Takashi; Kuroki, Kaito; Moritani, Shunsuke; Takai, Kazuhiko","Structural elucidation of a methylenation reagent of esters: synthesis and reactivity of a dinuclear titanium(iii) methylene complex","Chemical Science","2021","12","10","3509","3515","10.1039/D0SC06366E","","","0.71075","MoKα","","0.0415","0.0315","","","0.0581","0.063","","","","","","1.008","","","","has coordinates","263671","2021-04-05","14:16:07",""
"1560125","8.9924","0.0001","19.5139","0.0002","23.2425","0.0002","90","","90","","90","","4078.52","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C192 H160 O32 -","8","2","","Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng","Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C‒H activation","Chemical Science","2021","12","10","3726","3732","10.1039/D0SC06661C","","","1.54184","CuKα","","0.0754","0.067","","","0.1995","0.2077","","","","","","1.578","","","","has coordinates","263668","2021-04-05","14:13:47",""
"1560215","8.57192","0.00004","20.53361","0.0001","22.43166","0.00011","90","","90","","90","","3948.25","0.03","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C57 H34 Cl2 -","- C57 H34 Cl2 -","- C228 H136 Cl8 -","4","1","","Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki","Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes","Chemical Science","2021","12","8","2784","2793","10.1039/D1SC00044F","","","1.54184","CuKα","","0.0373","0.0366","","","0.0999","0.1004","","","","","","1.03","","","","has coordinates,has disorder","263683","2021-04-05","14:19:04",""
"1560237","16.297","0.0001","17.0451","0.0001","17.8125","0.0001","90","","90","","90","","4948.03","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C59 H76 Cl Ir N2 -","- C59 H76 Cl Ir N2 -","- C236 H304 Cl4 Ir4 N8 -","4","1","","Foster, Daven; Gao, Pengchao; Zhang, Ziyun; Sipos, Gellért; Sobolev, Alexandre N.; Nealon, Gareth; Falivene, Laura; Cavallo, Luigi; Dorta, Reto","Design, scope and mechanism of highly active and selective chiral NHC‒iridium catalysts for the intramolecular hydroamination of a variety of unactivated aminoalkenes","Chemical Science","2021","12","10","3751","3767","10.1039/D0SC05884J","","","1.54178","CuKα","","0.0296","0.0271","","","0.0645","0.0663","","","","","","1.001","","","","has coordinates","263680","2021-04-05","14:17:52",""
"1560252","8.7039","0.0004","11.9985","0.0006","16.3531","0.0008","90","","90","","90","","1707.82","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","NH4Th(NO3)5 . 5H2O","","","- H14 N6 O20 Th -","- H14 N6 O20 Th -","- H56 N24 O80 Th4 -","4","1","","A.V. Knyazev; M.E. Komshina; E.V. Baranov; I.A. Savushkin; O.V. Nipruk; A.Yu. Lukoyanov","Structural study of dehydration mechanisms of NH4Th(NO3)5.9H2O","Journal of Solid State Chemistry","2017","256","","1","5","10.1016/j.jssc.2017.08.021","","","0.71073","MoKα","","0.0268","0.0259","","","0.0603","0.0607","","","","","","1.062","","","","has coordinates,has disorder","261387","2021-02-03","08:55:42",""
"1560280","4.8832","0.0007","7.5868","0.0012","35.478","0.006","90","","90","","90","","1314.4","0.4","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O7 -","- C11 H16 O7 -","- C44 H64 O28 -","4","1","","Aitken, R.; Haslett, Oliver; Slawin, Alexandra","(S)-1-(Ethoxycarbonyl)ethyl(2R,5S)-2,5-dimethyl-1,3-dioxolan-4-one-2-carboxylate","Molbank","2021","2021","1","M1178","","10.3390/M1178","","","0.71075","MoKα","","0.0385","0.036","","","0.0882","0.0899","","","","","","1.048","","","","has coordinates","261789","2021-02-05","09:09:54",""
"1560283","5.20899","0.00003","13.1379","0.00008","24.88894","0.00015","90","","90","","90","","1703.28","0.018","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","x-ray","1.54184","CuKα","","0.0258","0.0256","","","0.0665","0.0667","","","","","","1.044","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560286","5.5123","0.0001","16.2923","0.0002","39.6735","0.0004","90","","90","","90","","3563","0.09","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C152 H208 O48 -","8","2","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","x-ray","1.54184","CuKα","","0.0421","0.0398","","","0.104","0.1054","","","","","","1.064","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560288","5.46419","0.00002","15.26209","0.00006","20.85735","0.0001","90","","90","","90","","1739.4","0.013","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O6 -","- C18 H24 O6 -","- C72 H96 O24 -","4","1","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","","1.54184","CuKα","","0.0252","0.025","","","0.0703","0.0705","","","","","","1.076","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560289","5.41732","0.00003","15.13174","0.00009","20.13674","0.00012","90","","90","","90","","1650.68","0.017","99.98","0.1","99.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C72 H88 O24 -","4","1","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","","1.54184","CuKα","","0.0294","0.0289","","","0.076","0.0763","","","","","","1.053","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560290","6.92375","0.00004","15.28917","0.00006","17.20264","0.00007","90","","90","","90","","1821.04","0.015","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","x-ray","1.54184","CuKα","","0.0577","0.0573","","","0.1597","0.1603","","","","","","1.027","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560291","5.7391","0.0004","10.8943","0.0007","32.111","0.002","90","","90","","90","","2007.7","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O9 -","- C20 H28 O9 -","- C80 H112 O36 -","4","1","","Gao, Ying; Duan, Fang-Fang; Liu, Lin; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","Hypothemycin-Type Resorcylic Acid Lactones with Immunosuppressive Activities from a <i>Podospora</i> sp.","Journal of natural products","2021","84","2","483","494","10.1021/acs.jnatprod.0c01344","","","1.54178","CuKα","","0.0574","0.0558","","","0.1325","0.1344","","","","","","1.066","","","","has coordinates","262446","2021-03-04","02:55:10",""
"1560295","8.9944","0.0004","11.325","0.0006","14.4042","0.0007","90","","90","","90","","1467.23","0.12","297","2","297.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-Hydroxy-<i>N</i>,<i>N</i>,<i>N</i>-trimethyltryptammonium iodide","[2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethyl]trimethylazanium iodide","","- C13 H19 I N2 O -","- C13 H19 I N2 O -","- C52 H76 I4 N8 O4 -","4","1","BT4107","Pham, Duyen N. K.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Bufotenidinium iodide","IUCrData","2021","6","2","x210123","","10.1107/S2414314621001231","","","0.71073","MoKα","","0.0141","0.0132","","","0.0309","0.0317","","","","","","1.08","","","","has coordinates,has Fobs","261822","2021-02-06","07:27:30",""
"1560487","7.5367","0.0005","12.1564","0.0008","24.9857","0.0016","90","","90","","90","","2289.2","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H16 F4 N2 S2 -","- C26 H16 F4 N2 S2 -","- C104 H64 F16 N8 S8 -","4","1","","Hamatani, Shota; Kitagawa, Daichi; Kobatake, Seiya","Fast T-Type Photochromic Crystals of Diarylbenzene","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.0c10988","","","0.71075","MoKα","","0.0374","0.0343","","","0.0756","0.0774","","","","","","1.08","","","","has coordinates","262094","2021-02-20","00:24:12",""
"1560497","8.2268","0.0003","14.3426","0.0006","14.7546","0.0006","90","","90","","90","","1740.95","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl Ir N O2 -","- C18 H23 Cl Ir N O2 -","- C72 H92 Cl4 Ir4 N4 O8 -","4","1","","Gatto, Giordano; De Palo, Alice; Carrasco, Ana C.; Pizarro, Ana M.; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio; Macchioni, Alceo","Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species","Catalysis Science & Technology","2021","11","8","2885","2895","10.1039/D0CY02306J","","","0.71073","MoKα","","0.0147","0.0145","","","0.033","0.033","","","","","","1.189","","","","has coordinates","264852","2021-05-05","07:54:59",""
"1560501","9.15691","0.00007","16.71291","0.00019","17.53844","0.00017","90","","90","","90","","2684.06","0.05","294.15","","294.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Br O3 P -","- C28 H36 Br O3 P -","- C112 H144 Br4 O12 P4 -","4","1","","Huang, Qiu-Hong; Zhou, Qian-Yi; Yang, Chen; Chen, Li; Cheng, Jin-Pei; Li, Xin","Access to P-stereogenic compounds via desymmetrizing enantioselective bromination","Chemical Science","2021","12","12","4582","4587","10.1039/D0SC07008D","","x-ray","1.54184","CuKα","","0.0398","0.0381","","","0.1076","0.1094","","","","","","1.039","","","","has coordinates,has disorder","263708","2021-04-05","14:28:16",""
"1560502","8.9798","0.0001","11.0389","0.0001","17.2809","0.0001","90","","90","","90","","1713.01","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu","Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B","Chemical Science","2021","12","13","4747","4752","10.1039/D0SC07089K","","","1.54184","CuKα","","0.0248","0.0246","","","0.064","0.0641","","","","","","1.092","","","","has coordinates","265920","2021-06-05","17:56:06",""
"1560503","9.1038","0.0003","11.1728","0.0004","17.3015","0.0006","90","","90","","90","","1759.82","0.11","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C88 H80 O16 -","4","1","","Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu","Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B","Chemical Science","2021","12","13","4747","4752","10.1039/D0SC07089K","","","1.54178","CuKα","","0.0304","0.0296","","","0.0838","0.085","","","","","","1.01","","","","has coordinates","265920","2021-06-05","17:56:06",""
"1560504","7.4407","0.0001","11.6989","0.0001","28.3425","0.0002","90","","90","","90","","2467.16","0.04","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 Cl2 O5 -","- C26 H32 Cl2 O5 -","- C104 H128 Cl8 O20 -","4","1","","Lu, Xiao-Long; Qiu, Yuanyou; Yang, Baochao; He, Haibing; Gao, Shuanhu","Asymmetric total synthesis of (+)-xestoquinone and (+)-adociaquinones A and B","Chemical Science","2021","12","13","4747","4752","10.1039/D0SC07089K","","x-ray","1.54184","CuKα","","0.0289","0.0286","","","0.0746","0.0748","","","","","","1.074","","","","has coordinates","265920","2021-06-05","17:56:06",""
"1560529","11.7538","0.0005","12.8616","0.0006","21.8976","0.0009","90","","90","","90","","3310.3","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H46 B20 Cl2 -","- C22 H46 B20 Cl2 -","- C88 H184 B80 Cl8 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0477","0.0378","","","0.1002","0.1081","","","","","","1.045","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560533","10.3911","0.0005","13.0014","0.0006","24.381","0.0011","90","","90","","90","","3293.8","0.3","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H48 B20 -","- C22 H48 B20 -","- C88 H192 B80 -","4","1","","Zhang, Jie; Xie, Zuowei","Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics","Chemical Science","2021","12","15","5616","5620","10.1039/D0SC07047E","","","0.71073","MoKα","","0.0513","0.0437","","","0.1131","0.1194","","","","","","1.092","","","","has coordinates","265935","2021-06-05","18:02:40",""
"1560568","11.6875","0.0002","20.7157","0.0004","23.6214","0.0003","90","","90","","90","","5719.09","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 Cd3 N4 O16 -","- C50 H41 Cd3 N4 O16 -","- C200 H164 Cd12 N16 O64 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Lv, Guo-ling","Homochiral coordination polymers with helixes and metal clusters based on lactate derivatives","Journal of Solid State Chemistry","2017","249","","210","214","10.1016/j.jssc.2017.03.011","","","1.54178","CuKα","","0.0397","0.0377","","","0.0931","0.095","","","","","","0.971","","","","has coordinates,has Fobs","262152","2021-02-23","08:23:56",""
"1560569","11.6974","0.0015","20.58","0.003","23.668","0.003","90","","90","","90","","5697.7","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 Cd3 N4 O16 -","- C50 H41 Cd3 N4 O16 -","- C200 H164 Cd12 N16 O64 -","4","1","","Xu, Zhong-Xuan; Ma, Yu-Lu; Lv, Guo-ling","Homochiral coordination polymers with helixes and metal clusters based on lactate derivatives","Journal of Solid State Chemistry","2017","249","","210","214","10.1016/j.jssc.2017.03.011","","","0.71073","MoKα","","0.0421","0.0376","","","0.1067","0.1093","","","","","","0.904","","","","has coordinates,has Fobs","262153","2021-02-23","08:25:50",""
"1560697","10.342","0.004","15.079","0.004","25.117","0.006","90","0.3","90","0.4","90","0.2","3917","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H37 Cd2 N7 O10 -","- C37 H37 Cd2 N7 O10 -","- C148 H148 Cd8 N28 O40 -","4","1","","Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat","Cd(II)-coordination polymers based on tetracarboxylic acid and diverse bis(imidazole) ligands: Synthesis, structural diversity and photoluminescence properties","Journal of Solid State Chemistry","2017","245","","146","151","10.1016/j.jssc.2016.10.015","","","0.71069","MoKα","","0.0771","0.0722","","","0.1829","0.1876","","","","","","1.017","","","","has coordinates","262265","2021-02-26","10:48:09",""
"1560781","20.0114","0.0015","24.6279","0.0019","28.424","0.002","90","","90","","90","","14008.4","1.8","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H152 Cd8 N24 O32 -","- C136 H152 Cd8 N24 O32 -","- C544 H608 Cd32 N96 O128 -","4","1","","Contejean, Zaria I.; LaDuca, Robert L.","Nitroaromatic-detecting zinc and cadmium coordination polymers with methyl-substituted aliphatic dicarboxylate and 4,4′-dipyridylamine ligands and diverse topologies","Journal of Solid State Chemistry","2018","266","","44","53","10.1016/j.jssc.2018.06.034","","","0.71073","MoKα","","0.1326","0.0688","","","0.1494","0.1852","","","","","","1.028","","","","has coordinates,has disorder","262387","2021-03-03","09:40:48",""
"1560802","8.381","0.0002","9.3907","0.0002","32.0572","0.0006","90","","90","","90","","2523.01","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 O10 -","- C30 H28 O10 -","- C120 H112 O40 -","4","1","","Li, Yu-Ting; Yang, Chan; Wu, Yan; Lv, Jun-Jiang; Feng, Xiao; Tian, Xiaofei; Zhou, Zhengzheng; Pan, Xiaoyan; Liu, Shuwen; Tian, Li-Wen","Axial Chiral Binaphthoquinone and Perylenequinones from the Stromata of <i>Hypocrella bambusae</i> Are SARS-CoV-2 Entry Inhibitors.","Journal of natural products","2021","84","2","436","443","10.1021/acs.jnatprod.0c01136","","x-ray","1.54184","CuKα","","0.0323","0.0313","","","0.0839","0.0848","","","","","","1.043","","","","has coordinates","262425","2021-03-04","00:57:18",""
"1560803","13.1752","0.00013","17.53391","0.00017","23.9821","0.0002","90","","90","","90","","5540.17","0.09","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O12 -","- C30 H30 O12 -","- C240 H240 O96 -","8","2","","Li, Yu-Ting; Yang, Chan; Wu, Yan; Lv, Jun-Jiang; Feng, Xiao; Tian, Xiaofei; Zhou, Zhengzheng; Pan, Xiaoyan; Liu, Shuwen; Tian, Li-Wen","Axial Chiral Binaphthoquinone and Perylenequinones from the Stromata of <i>Hypocrella bambusae</i> Are SARS-CoV-2 Entry Inhibitors.","Journal of natural products","2021","84","2","436","443","10.1021/acs.jnatprod.0c01136","","x-ray","1.54184","CuKα","","0.0581","0.0562","","","0.1618","0.1644","","","","","","1.035","","","","has coordinates","262426","2021-03-04","00:57:59",""
"1560804","7.9582","0.0002","23.6809","0.0004","10.0261","0.0002","90","","90","","90","","1889.49","0.07","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Xue, Peng-Hui; Zhang, Nan; Liu, Da; Zhang, Qing-Ran; Duan, Jing-Shi; Yu, Ya-Qin; Li, Jin-Yan; Cao, Shi-Jie; Zhao, Feng; Kang, Ning; Qiu, Feng","Cytotoxic and Anti-Inflammatory Sesquiterpenes from the Whole Plants of <i>Centipeda minima</i>.","Journal of natural products","2021","84","2","247","258","10.1021/acs.jnatprod.0c00884","","x-ray","1.54184","CuKα","","0.0366","0.035","","","0.0874","0.0881","","","","","","1.105","","","","has coordinates","262427","2021-03-04","00:59:32",""
"1560806","6.6873","0.0002","15.0723","0.0004","24.1896","0.0006","90","","90","","90","","2438.14","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","","Xue, Peng-Hui; Zhang, Nan; Liu, Da; Zhang, Qing-Ran; Duan, Jing-Shi; Yu, Ya-Qin; Li, Jin-Yan; Cao, Shi-Jie; Zhao, Feng; Kang, Ning; Qiu, Feng","Cytotoxic and Anti-Inflammatory Sesquiterpenes from the Whole Plants of <i>Centipeda minima</i>.","Journal of natural products","2021","84","2","247","258","10.1021/acs.jnatprod.0c00884","","x-ray","1.54184","CuKα","","0.0757","0.0689","","","0.2136","0.2259","","","","","","1.048","","","","has coordinates","262429","2021-03-04","01:00:14",""
"1560946","11.3224","0.0005","17.2445","0.0008","17.924","0.0008","90","","90","","90","","3499.6","0.3","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 O10 -","- C35 H40 O10 -","- C140 H160 O40 -","4","1","","Mu, Hongyan; Tang, Shuai; Zuo, Quan; Huang, Min; Zhao, Weimin","Dihydro-β-agarofuran-Type Sesquiterpenoids from the Seeds of <i>Celastrus virens</i> and Their Multidrug Resistance Reversal Activity against the KB/VCR Cell Line.","Journal of natural products","2021","84","3","588","600","10.1021/acs.jnatprod.0c01182","","","1.54178","CuKα","","0.0558","0.0471","","","0.1228","0.1314","","","","","","1.038","","","","has coordinates","263597","2021-04-04","10:02:08",""
"1560947","9.6194","0.0005","15.911","0.0009","16.492","0.0009","90","","90","","90","","2524.2","0.2","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 Br O6 -","- C28 H25 Br O6 -","- C112 H100 Br4 O24 -","4","1","","Xu, Chaoran; Qiao, Jianglin; Dong, Shunxi; Zhou, Yuqiao; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of dihydro-1,3-dioxepines by Rh(II)/Sm(III) relay catalytic three-component tandem [4+3]-cycloaddition","Chemical Science","2021","","","","","10.1039/D1SC01019K","","","0.71073","MoKα","","0.0454","0.0318","","","0.0651","0.0741","","","","","","1.076","","","","has coordinates","262899","2021-03-09","02:13:24",""
"1561001","9.1686","0.0005","11.5792","0.0006","25.431","0.002","90","","90","","90","","2699.9","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N6 O9 -","- C28 H24 N6 O9 -","- C112 H96 N24 O36 -","4","1","","Saha, Monochura; Bandyopadhyay, Subhajit","Stimuli Responsive Stable Radical Anion for Conductance Switching","The Journal of Physical Chemistry C","2021","125","11","6427","6432","10.1021/acs.jpcc.1c00230","","x-ray","0.71073","MoKα","","0.0529","0.0463","","","0.1251","0.1299","","","","","","1.106","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1561044","9.7957","0.0005","14.9403","0.0008","30.1708","0.0015","90","","90","","90","","4415.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound-31","(3aR,3'aR,9bR,9'bR)-3-((R)-tert-butylsulfinyl)- 3'-(tert-butylsulfinyl)-8,8'-difluoro-9b,9'b-bis(phenylsulfonyl) -2,2',3,3a,3',3'a,4,4',5,5',9b,9'b-dodecahydro-1H,1'H-7,7'-bibenzo[e]indole","","- C44 H50 F2 N2 O6 S4 -","- C44 H50 F2 N2 O6 S4 -","- C176 H200 F8 N8 O24 S16 -","4","1","","Karmakar, Ananta; Nimje, Roshan Y.; Silamkoti, Arundutt; Pitchai, Manivel; Basha, Mushkin; Singarayer, Christuraj; Ramasamy, Duraisamy; Babu, G. T. Venkatesh; Samikannu, Ramesh; Subramaniam, Srinath; Anjanappa, Prakash; Vetrichelvan, Muthalagu; Kumar, Hemantha; Dikundwar, Amol G.; Gupta, Anuradha; Gupta, Arun Kumar; Rampulla, Richard; Dhar, T. G. Murali; Mathur, Arvind","Practical Synthesis of (3aR, 9bR)-8-Fluoro-7-(perfluoropropan-2-yl)-9b-(phenylsulfonyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole: An Advanced Intermediate to Access the RORγt Inverse Agonist BMT-362265","Organic Process Research & Development","2021","","","","","10.1021/acs.oprd.1c00019","","x-ray","0.71073","MoKα","","0.0852","0.046","","","0.0946","0.1062","","","","","","0.999","","","","has coordinates","263068","2021-03-17","00:48:39",""
"1561050","9.8948","0.0006","10.3781","0.0006","20.5618","0.0013","90","","90","","90","","2111.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br N2 O2 -","- C25 H21 Br N2 O2 -","- C100 H84 Br4 N8 O8 -","4","1","","Lynch-Colameta, Tessa; Greta, Sarah; Snyder, Scott A.","Synthesis of Aza-Quaternary Centers via Pictet‒Spengler Reactions of Ketonitrones","Chemical Science","2021","","","","","10.1039/D1SC00882J","","","0.71073","MoKα","","0.0468","0.0338","","","0.0616","0.0646","","","","","","1.056","","","","has coordinates","263070","2021-03-17","02:03:01",""
"1561086","9.3999","0.0004","11.8608","0.0007","20.7807","0.0009","90","","90","","90","","2316.8","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 B N -","- C28 H32 B N -","- C112 H128 B4 N4 -","4","1","","Ouadoudi, Omar; Kaehler, Tanja; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","One tool to bring them all: Au-catalyzed synthesis of B,O- and B,N-doped PAHs from boronic and borinic acids","Chemical Science","2021","12","16","5898","5909","10.1039/D1SC00543J","","","0.71073","MoKα","","0.0718","0.0662","","","0.1517","0.1551","","","","","","1.249","","","","has coordinates,has disorder","264892","2021-05-05","08:24:46",""
"1561119","8.33","0.003","8.52","0.003","8.635","0.003","90","","90","","90","","612.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Li O9 P3 Zn -","- Li O9 P3 Zn -","- Li4 O36 P12 Zn4 -","4","1","","Xie, Zhiqing; Su, Xin; Ding, Hanqin; Li, Hongyi","Crystal structures and theoretical studies of polyphosphate LiZnP3O9 for nonlinear optical applications","Journal of Solid State Chemistry","2018","262","","313","319","10.1016/j.jssc.2018.03.032","","","0.71073","MoKα","","0.0276","0.0262","","","0.065","0.0658","","","","","","1.122","","","","has coordinates","263119","2021-03-18","10:40:50",""
"1561202","6.455","0.0007","20.583","0.002","37.604","0.005","90","","90","","90","","4996.2","1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cu2 F6 N10 O22 S2 -","- C32 H52 Cu2 F6 N10 O22 S2 -","- C128 H208 Cu8 F24 N40 O88 S8 -","4","1","","Zhao, Yan-Ming; Tang, Gui-Mei; Wang, Yong-Tao; Cui, Yue-Zhi; Ng, Seik Weng","Copper-based metal coordination complexes with Voriconazole ligand: Syntheses, structures and antimicrobial properties","Journal of Solid State Chemistry","2018","259","","19","27","10.1016/j.jssc.2017.12.029","","","0.71073","MoKα","","0.1118","0.0573","","","0.1195","0.1453","","","","","","1.002","","","","has coordinates","263246","2021-03-23","08:42:22",""
"1561249","7.6216","0.0012","9.6734","0.0015","16.831","0.003","90","","90","","90","","1240.9","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H16 Cl4 Co N2 -","- C4 H16 Cl4 Co N2 -","- C16 H64 Cl16 Co4 N8 -","4","1","","Sen, Abhijit; Roy, Soumyabrata; Peter, Sebastian C.; Paul, Arpita; Waghmare, Umesh V.; Sundaresan, A.","Order-disorder structural phase transition and magnetocaloric effect in organic-inorganic halide hybrid (C2H5NH3)2CoCl4","Journal of Solid State Chemistry","2018","258","","431","440","10.1016/j.jssc.2017.10.036","","","0.71073","MoKα","","0.0494","0.0415","","","0.0894","0.0922","","","","","","1.141","","","","has coordinates","263313","2021-03-25","09:34:49",""
"1561250","7.6215","0.0011","9.7364","0.0015","16.983","0.003","90","","90","","90","","1260.2","0.3","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H16 Cl4 Co N2 -","- C4 H16 Cl4 Co N2 -","- C16 H64 Cl16 Co4 N8 -","4","1","","Sen, Abhijit; Roy, Soumyabrata; Peter, Sebastian C.; Paul, Arpita; Waghmare, Umesh V.; Sundaresan, A.","Order-disorder structural phase transition and magnetocaloric effect in organic-inorganic halide hybrid (C2H5NH3)2CoCl4","Journal of Solid State Chemistry","2018","258","","431","440","10.1016/j.jssc.2017.10.036","","","0.71073","MoKα","","0.0519","0.0391","","","0.0787","0.084","","","","","","1.051","","","","has coordinates","263314","2021-03-25","09:36:02",""
"1561312","6.5212","0.0003","19.52","0.0008","27.5641","0.0012","90","","90","","90","","3508.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O2 S -","- C21 H21 N O2 S -","- C168 H168 N8 O16 S8 -","8","2","","Duan, Shengzu; Deng, Guogang; Zi, Yujin; Wu, Xiaomei; Tian, Xun; Liu, Zhengfen; Li, Minyan; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick","Nickel-Catalyzed Enantioselective Vinylation of Aryl 2-Azaallyl Anions","Chemical Science","2021","","","","","10.1039/D1SC00972A","","","1.54178","CuKα","","0.0713","0.0497","","","0.1227","0.1379","","","","","","1.066","","","","has coordinates","263396","2021-03-28","01:50:22",""
"1561313","7.9229","0.0015","9.4474","0.0019","20.875","0.004","90","","90","","90","","1562.5","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","HB4379","Shirmila, D. Angeline; Jonathan, D. Reuben; Priya, M. Krishna; Hemalatha, J.; Usha, G.","(2<i>E</i>)-2-(3,4-Dimethoxybenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one","IUCrData","2021","6","3","x210309","","10.1107/S2414314621003096","","","0.71073","MoKα","","0.0769","0.0566","","","0.1515","0.18","","","","","","1.036","","","","has coordinates,has Fobs","263398","2021-03-28","06:00:32",""
"1561436","10.6427","0.0007","14.3732","0.0011","18.2143","0.0013","90","","90","","90","","2786.2","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 I3 N5 O6 Zn -","- C20 H20 I3 N5 O6 Zn -","- C80 H80 I12 N20 O24 Zn4 -","4","1","","He, Tian; Yue, Ke-Fen; Zhao, Yi-xing; Chen, San-Ping; Zhou, Chun-sheng; Yan, Ni","Crystal structures and thermodynamics/kinetics of Zn(II) coordination polymers with helical chains","Journal of Solid State Chemistry","2016","239","","113","120","10.1016/j.jssc.2016.04.022","","","0.71073","MoKα","","0.0482","0.0383","","","0.1091","0.1193","","","","","","0.804","","","","has coordinates","263531","2021-04-01","09:45:36",""
"1561585","5.0524","0.0004","15.7417","0.0011","15.791","0.0011","90","","90","","90","","1255.91","0.16","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 -","- C19 H16 -","- C76 H64 -","4","1","","Leith, Gabrielle A.; Rice, Allison M.; Yarbrough, Brandon J.; Kittikhunnatham, Preecha; Mathur, Abhijai; Morris, Nicholas A.; Francis, Megan J.; Berseneva, Anna A.; Dhull, Poonam; Adams, Richard D.; Bobo, M. Victoria; Vannucci, Aaron A.; Smith, Mark D.; Garashchuk, Sophya; Shustova, Natalia B.","""Broken-hearted"" carbon bowl <i>via</i> electron shuttle reaction: energetics and electron coupling.","Chemical science","2021","12","19","6600","6606","10.1039/d0sc06755e","","x-ray","0.71073","MoKα","","0.0646","0.0451","","","0.0924","0.0988","","","","","","1.065","","","","has coordinates","265911","2021-06-05","17:52:40",""
"1561644","7.8828","0.0002","14.1596","0.0004","19.2427","0.0006","90","","90","","90","","2147.82","0.11","100.3","0.9","100.3","0.9","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cd N3 O6 -","- C22 H21 Cd N3 O6 -","- C88 H84 Cd4 N12 O24 -","4","1","","Ma, Ning; Guo, Wei-Ying; Song, Hui-Hua; Yu, Hai-Tao","Diverse Cd(II) compounds based on N-benzoyl-L-glutamic acid and N-donor ligands: Structures and photoluminescent properties","Journal of Solid State Chemistry","2016","233","","381","389","10.1016/j.jssc.2015.11.010","","x-ray","0.71073","MoKα","","0.0234","0.0211","","","0.0436","0.045","","","","","","1.053","","","","has coordinates","264047","2021-04-12","07:34:00",""
"1561645","9.1277","0.0002","14.1531","0.0003","24.0109","0.0004","90","","90","","90","","3101.85","0.11","99.95","0.18","99.95","0.18","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Cd N5 O9 -","- C32 H35 Cd N5 O9 -","- C128 H140 Cd4 N20 O36 -","4","1","","Ma, Ning; Guo, Wei-Ying; Song, Hui-Hua; Yu, Hai-Tao","Diverse Cd(II) compounds based on N-benzoyl-L-glutamic acid and N-donor ligands: Structures and photoluminescent properties","Journal of Solid State Chemistry","2016","233","","381","389","10.1016/j.jssc.2015.11.010","","","0.7107","MoKα","","0.0427","0.0364","","","0.068","0.0714","","","","","","1.053","","","","has coordinates","264047","2021-04-12","07:34:01",""
"1561648","9.6731","0.0002","12.1375","0.0003","22.6012","0.0006","90","","90","","90","","2653.54","0.11","99.97","0.16","99.97","0.16","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Cd N3 O8 -","- C25 H31 Cd N3 O8 -","- C100 H124 Cd4 N12 O32 -","4","1","","Ma, Ning; Guo, Wei-Ying; Song, Hui-Hua; Yu, Hai-Tao","Diverse Cd(II) compounds based on N-benzoyl-L-glutamic acid and N-donor ligands: Structures and photoluminescent properties","Journal of Solid State Chemistry","2016","233","","381","389","10.1016/j.jssc.2015.11.010","","","0.71073","MoKα","","0.0426","0.0355","","","0.0665","0.0708","","","","","","1.067","","","","has coordinates","264047","2021-04-12","07:34:01",""
"1561731","10.161","0.002","11.539","0.002","21.719","0.004","90","","90","","90","","2546.5","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Cu3 N3 S4 W -","- C14 H21 Cu3 N3 S4 W -","- C56 H84 Cu12 N12 S16 W4 -","4","1","","Zhang, Jinfang; Wang, Chao; Wang, Yinlin; Chen, Weitao; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Single cyanide-bridged Mo(W)/S/Cu cluster-based coordination polymers: Reactant- and stoichiometry-dependent syntheses, effective photocatalytic properties","Journal of Solid State Chemistry","2015","231","","230","238","10.1016/j.jssc.2015.08.025","","","0.71073","MoKα","","0.0486","0.0368","","","0.0706","0.076","","","","","","0.989","","","","has coordinates","264131","2021-04-14","08:40:06",""
"1561735","11.482","0.002","15.535","0.003","15.861","0.003","90","","90","","90","","2829.2","0.9","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cu3 Mo N3 O S3 -","- C18 H36 Cu3 Mo N3 O S3 -","- C72 H144 Cu12 Mo4 N12 O4 S12 -","4","1","","Zhang, Jinfang; Wang, Chao; Wang, Yinlin; Chen, Weitao; Cifuentes, Marie P.; Humphrey, Mark G.; Zhang, Chi","Single cyanide-bridged Mo(W)/S/Cu cluster-based coordination polymers: Reactant- and stoichiometry-dependent syntheses, effective photocatalytic properties","Journal of Solid State Chemistry","2015","231","","230","238","10.1016/j.jssc.2015.08.025","","","0.71073","MoKα","","0.0471","0.0447","","","0.1006","0.1032","","","","","","1.05","","","","has coordinates","264131","2021-04-14","08:40:09",""
"1561811","15.5053","0.0003","7.2535","0.0003","14.4102","0.0003","90","","90","","90","","1620.68","0.08","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Cu(Im)2[Fe(CN)4NO]","","","- C11 H6 Cu Fe N10 O -","- C11 Cu Fe N10 O -","- C44 Cu4 Fe4 N40 O4 -","4","1","","Osiry, H.; Cano, A.; Lemus-Santana, A.A.; Rodríguez, A.; Carbonio, R.E.; Reguera, E.","Intercalation of organic molecules in 2D copper (II) nitroprusside: Intermolecular interactions and magnetic properties","Journal of Solid State Chemistry","2015","230","","374","380","10.1016/j.jssc.2015.07.042","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","14.1469","1.35","","","","","","","has coordinates","264195","2021-04-15","08:32:52",""
"1561814","7.5363","0.0007","12.2021","0.0011","16.7601","0.0016","90","","90","","90","","1541.2","0.2","210","2","210","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H18 N2 O11 Se2 U -","- C4 H18 N2 O11 Se2 U -","- C16 H72 N8 O44 Se8 U4 -","4","1","","Gurzhiy, Vladislav V.; Kovrugin, Vadim M.; Tyumentseva, Olga S.; Mikhaylenko, Pavel A.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite‒selenates","Journal of Solid State Chemistry","2015","229","","32","40","10.1016/j.jssc.2015.04.040","","","0.71073","MoKα","","0.0352","0.0311","","","0.0629","0.0639","","","","","","0.94","","","","has coordinates,has Fobs","264198","2021-04-15","09:10:25",""
"1561815","11.2154","0.0005","11.2263","0.0005","16.9138","0.0008","90","","90","","90","","2129.57","0.17","210","2","210","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H18 N2 O17 Se3 U2 -","- C4 H18 N2 O17 Se3 U2 -","- C16 H72 N8 O68 Se12 U8 -","4","1","","Gurzhiy, Vladislav V.; Kovrugin, Vadim M.; Tyumentseva, Olga S.; Mikhaylenko, Pavel A.; Krivovichev, Sergey V.; Tananaev, Ivan G.","Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite‒selenates","Journal of Solid State Chemistry","2015","229","","32","40","10.1016/j.jssc.2015.04.040","","","0.71073","MoKα","","0.0376","0.0283","","","0.0484","0.05","","","","","","0.934","","","","has coordinates,has Fobs","264199","2021-04-15","09:12:47",""
"1562005","9.138","0.0011","13.8136","0.0018","15.8299","0.0019","90","","90","","90","","1998.2","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O -","- C24 H30 N2 O -","- C96 H120 N8 O4 -","4","1","","Panahi, Farhad; Khosravi, Hormoz; Bauer, Felix; Breit, Bernhard","Asymmetric hydroalkylation of alkynes and allenes with imidazolidinone derivatives: α-alkenylation of α-amino acids","Chemical Science","2021","12","21","7388","7392","10.1039/D1SC00240F","","","0.71073","MoKα","","0.0609","0.0431","","","0.0843","0.0917","","","","","","1.058","","","","has coordinates","265936","2021-06-05","18:02:53",""
"1562013","6.7473","0.0013","9.4352","0.0019","11.035","0.002","90","","90","","90","","702.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Ag3 B5 O9 -","- Ag3 B5 O9 -","- Ag12 B20 O36 -","4","1","","Sohr, Gerhard; Falkowski, Viktoria; Huppertz, Hubert","The new silver borate Ag3B5O9","Journal of Solid State Chemistry","2015","225","","114","119","10.1016/j.jssc.2014.12.002","","","0.71073","MoKα","","0.0496","0.0367","","","0.0557","0.0587","","","","","","1.052","","","","has coordinates","264449","2021-04-23","07:46:37",""
"1562092","8.7154","0.0002","13.1045","0.0005","14.501","0.0003","90","","90","","90","","1656.17","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H8 Cd2 N2 O11 -","- C14 H8 Cd2 N2 O11 -","- C56 H32 Cd8 N8 O44 -","4","1","","Lei, Xiao-Ping; Lian, Ting-Ting; Chen, Shu-Mei; Zhang, Jian","Tuning the formations of metal-1,3,5-benzenetricarboxylate frameworks via the assistance of amino acids","Journal of Solid State Chemistry","2015","223","","44","52","10.1016/j.jssc.2014.06.006","","","0.71073","MoKα","","0.0241","0.0234","","","0.0637","0.0641","","","","","","1.034","","","","has coordinates","264531","2021-04-26","08:13:49",""
"1562105","16.59","0.02","16.79","0.02","23.58","0.04","90","","90","","90","","6568","16","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H77 Fe2 N3 Ni O14 S -","- C57 H77 Fe2 N3 Ni O14 S -","- C228 H308 Fe8 N12 Ni4 O56 S4 -","4","1","","Lytvynenko, Anton S.; Kiskin, Mikhail A.; Dorofeeva, Victoria N.; Mishura, Andrey M.; Titov, Vladimir E.; Kolotilov, Sergey V.; Eremenko, Igor L.; Novotortsev, Vladimir M.","Redox-active porous coordination polymer based on trinuclear pivalate: Temperature-dependent crystal rearrangement and redox-behavior","Journal of Solid State Chemistry","2015","223","","122","130","10.1016/j.jssc.2014.07.025","","","0.71073","MoKα","","0.3379","0.0853","","","0.1691","0.2832","","","","","","0.899","","","","has coordinates","264537","2021-04-26","08:53:24",""
"1562107","7.3228","0.0012","9.0811","0.0015","16.657","0.003","90","","90","","90","","1107.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O5 Pb -","- C10 H10 O5 Pb -","- C40 H40 O20 Pb4 -","4","1","","Wu, Yunlong; Zhao, Yanqing; Yang, Guo-Ping; Guo, Yanjun; Wang, Yao-Yu; Shi, Qi-Zhen","Influence of the steric effect of flexible isomeric phenylenediacetic acids on the resultant lead(II) coordination polymers","Journal of Solid State Chemistry","2015","223","","131","137","10.1016/j.jssc.2014.07.018","","","0.71073","MoKα","","0.0438","0.0407","","","0.1062","0.1082","","","","","","1.074","","","","has coordinates","264539","2021-04-26","09:19:09",""
"1562117","9.0849","0.0004","21.33","0.001","23.003","0.001","90","","90","","90","","4457.5","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl N5 O5.5 -","- C20 H24 Cl N5 O5.5 -","- C160 H192 Cl8 N40 O44 -","8","2","","Liu, Mengjia; He, Ying; Shan, Chuan; Wojtas, Lukasz; Ghiviriga, Ion; Fathalla, Omar; Yan, Yu; Li, Xiaopeng; Shi, Xiaodong","Anion mediated, tunable isoguanosine self-assemblies: decoding the conformation influence and solvent effects.","Chemical science","2021","12","21","7569","7574","10.1039/d1sc00988e","","","1.54178","CuKα","","0.0276","0.026","","","0.0636","0.0647","","","","","","1.023","","","","has coordinates,has disorder","268617","2021-09-06","09:56:26",""
"1562143","9.7811","0.0015","13.126","0.002","17.998","0.003","90","","90","","90","","2310.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cd N6 O7 -","- C18 H26 Cd N6 O7 -","- C72 H104 Cd4 N24 O28 -","4","1","","Cheng, Lin; Wang, Jun; Yu, Hai-Yan; Zhang, Xiu-Ying; Gou, Shao-Hua; Fang, Lei","Five chiral Cd(II) complexes with dual chiral components: Effect of positional isomerism, luminescence and SHG response","Journal of Solid State Chemistry","2015","221","","85","94","10.1016/j.jssc.2014.09.020","","","0.71073","MoKα","","0.0726","0.0547","","","0.1303","0.15","","","","","","1.029","","","","has coordinates","264579","2021-04-27","08:17:50",""
"1562144","10.864","0.0014","12.6272","0.0015","19.317","0.002","90","","90","","90","","2649.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cd N7 O8 -","- C20 H27 Cd N7 O8 -","- C80 H108 Cd4 N28 O32 -","4","1","","Cheng, Lin; Wang, Jun; Yu, Hai-Yan; Zhang, Xiu-Ying; Gou, Shao-Hua; Fang, Lei","Five chiral Cd(II) complexes with dual chiral components: Effect of positional isomerism, luminescence and SHG response","Journal of Solid State Chemistry","2015","221","","85","94","10.1016/j.jssc.2014.09.020","","","0.71073","MoKα","","0.0509","0.0424","","","0.1034","0.1095","","","","","","1.059","","","","has coordinates","264579","2021-04-27","08:17:51",""
"1562145","10.979","0.004","14.684","0.005","16.958","0.006","90","","90","","90","","2733.9","1.7","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 Cd N6 O11 -","- C19 H36 Cd N6 O11 -","- C76 H144 Cd4 N24 O44 -","4","1","","Cheng, Lin; Wang, Jun; Yu, Hai-Yan; Zhang, Xiu-Ying; Gou, Shao-Hua; Fang, Lei","Five chiral Cd(II) complexes with dual chiral components: Effect of positional isomerism, luminescence and SHG response","Journal of Solid State Chemistry","2015","221","","85","94","10.1016/j.jssc.2014.09.020","","","0.71073","MoKα","","0.0656","0.0542","","","0.138","0.145","","","","","","1.046","","","","has coordinates","264579","2021-04-27","08:17:54",""
"1562146","9.906","0.0019","14.876","0.003","30.268","0.006","90","","90","","90","","4460.3","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 Cd2 N12 O14 -","- C36 H52 Cd2 N12 O14 -","- C144 H208 Cd8 N48 O56 -","4","1","","Cheng, Lin; Wang, Jun; Yu, Hai-Yan; Zhang, Xiu-Ying; Gou, Shao-Hua; Fang, Lei","Five chiral Cd(II) complexes with dual chiral components: Effect of positional isomerism, luminescence and SHG response","Journal of Solid State Chemistry","2015","221","","85","94","10.1016/j.jssc.2014.09.020","","","0.71073","MoKα","","0.0682","0.0407","","","0.058","0.0649","","","","","","1.007","","","","has coordinates","264579","2021-04-27","08:17:56",""
"1562166","6.256","0.0003","7.6732","0.0003","28.1296","0.0008","90","","90","","90","","1350.32","0.09","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0389","0.0343","","0.0947","0.0884","0.0943","","","","","","1.0021","","","","has coordinates","268622","2021-09-06","10:05:32",""
"1562169","6.1993","0.0001","22.8971","0.0003","27.5542","0.0003","90","","90","","90","","3911.21","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C192 H168 O24 S12 -","12","3","","McNamee, Ryan E.; Haugland, Marius M.; Nugent, Jeremy; Chan, Rachel; Christensen, Kirsten E.; Anderson, Edward A.","Synthesis of 1,3-disubstituted bicyclo[1.1.0]butanes <i>via</i> directed bridgehead functionalization.","Chemical science","2021","12","21","7480","7485","10.1039/d1sc01836a","","","1.54184","CuKα","","0.0342","0.0314","","0.0824","0.0783","0.0824","","","","","","1.0069","","","","has coordinates","268622","2021-09-06","10:05:33",""
"1562180","17.7407","0.0001","27.9256","0.0002","27.9774","0.0002","90","","90","","90","","13860.5","0.16","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C67 H102 O4 -","- C67 H102 O4 -","- C536 H816 O32 -","8","2","","Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu","Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.","Chemical science","2021","12","21","7575","7582","10.1039/d1sc00883h","","x-ray","1.54184","CuKα","","0.0452","0.0413","","","0.1007","0.1029","","","","","","1.025","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1562184","8.403","0.005","10.985","0.007","24.235","0.014","90","","90","","90","","2237","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N3 Ni O8 -","- C21 H21 N3 Ni O8 -","- C84 H84 N12 Ni4 O32 -","4","1","","Li, Gui-Lian; Yin, Wei-Dong; Liu, Guang-Zhen; Ma, Lu-Fang; Wang, Li-Ya","Syntheses, structures and magnetic properties of four coordination polymers based on nitrobenzene dicarboxylate and various N-donor coligands","Journal of Solid State Chemistry","2014","220","","1","8","10.1016/j.jssc.2014.08.007","","","0.71073","MoKα","","0.0471","0.0372","","","0.0758","0.0805","","","","","","1.032","","","","has coordinates","264621","2021-04-28","06:02:25",""
"1562233","8.2258","0.0001","11.1904","0.0001","14.7228","0.0001","90","","90","","90","","1355.23","0.02","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 F O3 -","- C15 H17 F O3 -","- C60 H68 F4 O12 -","4","1","","Bin, Huai-Yu; Cheng, Li; Wu, Xiong; Zhu, Chang-Liang; Yang, Xiao-Hui; Xie, Jian-Hua; Zhou, Qi-Lin","Asymmetric Hydrogenation of Exocyclic γ,δ-Unsaturated β-Ketoesters to Functionalized Chiral Allylic Alcohols via Dynamic Kinetic Resolution","Chemical Science","2021","","","","","10.1039/D1SC02044G","","","1.54184","CuKα","","0.0355","0.034","","","0.0912","0.0924","","","","","","1.064","","","","has coordinates,has disorder","264656","2021-04-29","01:01:22",""
"1562302","13.5131","0.0003","16.8347","0.0004","18.5104","0.0004","90","","90","","90","","4210.91","0.16","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H42 Au Cl2 N O2 P2 -","- C44 H42 Au Cl2 N O2 P2 -","- C176 H168 Au4 Cl8 N4 O8 P8 -","4","1","","Kim, Jong Hyun; Ofori, Samuel; Parkin, Sean; Vekaria, Hemendra; Sullivan, Patrick G.; Awuah, Samuel G.","Anticancer gold(iii)-bisphosphine complex alters the mitochondrial electron transport chain to induce <i>in vivo</i> tumor inhibition.","Chemical science","2021","12","21","7467","7479","10.1039/d1sc01418h","","","0.71073","MoKα","","0.0245","0.0214","","","0.0454","0.0465","","","","","","1.073","","","","has coordinates","268626","2021-09-06","10:08:15",""
"1562315","11.536","0.002","15.266","0.003","24.076","0.005","90","","90","","90","","4240","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 I2 N12 Sn Te4 Zn3 -","- C18 H54 I2 N12 Sn Te4 Zn3 -","- C72 H216 I8 N48 Sn4 Te16 Zn12 -","4","1","","Lu, Jialin; Wang, Fang; Shen, Yali; Tang, Chunying; Zhang, Yong; Jia, Dingxian","New μ-SnTe4 and μ-Sn2Te6 ligands to transition metal: Solvothermal syntheses and characterizations of zinc tellurostannates containing polyamine ligands","Journal of Solid State Chemistry","2014","216","","65","72","10.1016/j.jssc.2014.05.002","","","0.71073","MoKα","","0.0597","0.0414","","","0.0712","0.0827","","","","","","1.051","","","","has coordinates","264722","2021-04-30","08:58:52",""
"1562350","8.7654","0.0004","12.6378","0.0006","15.3841","0.0007","90","","90","","90","","1704.18","0.14","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O5 -","- C19 H28 O5 -","- C76 H112 O20 -","4","1","","Cheng, Meimei; Li, Pinglin; Jiang, Yun; Tang, Xuli; Zhang, Wenjie; Wang, Qi; Li, Guoqiang","Penitol A and Penicitols E-I: Citrinin Derivatives from <i>Penicillium citrinum</i> and the Structure Revision of Previously Proposed Analogues.","Journal of natural products","2021","84","4","1345","1352","10.1021/acs.jnatprod.1c00082","","","1.54178","CuKα","","0.0302","0.0292","","","0.0756","0.0765","","","","","","1.048","","","","has coordinates","264810","2021-05-03","22:59:59",""
"1562354","10.0808","0.0007","24.277","0.0015","25.8121","0.0019","90","","90","","90","","6317","0.7","93.15","","93.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H62 N2 O14 Si10 -","- C56 H62 N2 O14 Si10 -","- C224 H248 N8 O56 Si40 -","4","1","","Ishida, Ayano; Fujii, Shunichi; Sumida, Akifumi; Kamitani, Tasuku; Minami, Saori; Urayama, Kenji; Imoto, Hiroaki; Naka, Kensuke","Supramolecular organogel formation behaviors of beads-on-string shaped poly(azomethine)s dependent on POSS structures in the main chains","Polymer Chemistry","2021","12","21","3169","3176","10.1039/D1PY00346A","","","0.71073","MoKα","","0.1318","0.0671","","","0.1545","0.1875","","","","","","1.013","","","","has coordinates,has disorder","266181","2021-06-05","19:33:04",""
"1562386","9.5536","0.0001","10.5647","0.0001","15.067","0.0001","90","","90","","90","","1520.73","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O3 -","- C15 H20 Cl N O3 -","- C60 H80 Cl4 N4 O12 -","4","1","","Wang, Yuzhuo; Wang, Lei; Chen, Mingjie; Tu, Youshao; Liu, Yu; Zhang, Junliang","Palladium/Xu-Phos-Catalyzed Asymmetric Carboamination towards Isoxazolidines and Pyrrolidines","Chemical Science","2021","","","","","10.1039/D1SC01337H","","x-ray","1.54184","CuKα","","0.0229","0.0228","","","0.0586","0.0587","","","","","","1.0359","","","","has coordinates","265009","2021-05-07","01:21:03",""
"1562387","13.7139","0.0001","14.6929","0.0001","20.8028","0.0001","90","","90","","90","","4191.7","0.05","100.3","0.7","100.3","0.7","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 N O3 P S -","- C42 H68 N O3 P S -","- C168 H272 N4 O12 P4 S4 -","4","1","","Wang, Yuzhuo; Wang, Lei; Chen, Mingjie; Tu, Youshao; Liu, Yu; Zhang, Junliang","Palladium/Xu-Phos-Catalyzed Asymmetric Carboamination towards Isoxazolidines and Pyrrolidines","Chemical Science","2021","","","","","10.1039/D1SC01337H","","x-ray","1.54184","CuKα","","0.0338","0.033","","","0.0822","0.0827","","","","","","1.039","","","","has coordinates","265009","2021-05-07","01:21:03",""
"1562418","5.802","0.0006","8.7244","0.001","15.004","0.0019","90","","90","","90","","759.49","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Z-3-chloro-3-(2-thienyl)-2-propenenitrile","","- C7 H4 Cl N S -","- C7 H4 Cl N S -","- C28 H16 Cl4 N4 S4 -","4","1","","Fucci, Rosa; Vande Velde, Christophe M. L.","Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.","Faraday discussions","2021","231","0","97","111","10.1039/d1fd00026h","","","1.54187","CuKα","","0.0544","0.051","","","0.159","0.1673","","","","","","1.085","","","","has coordinates,has disorder","270453","2021-11-06","20:10:37",""
"1562483","8.5911","0.0003","8.5872","0.0003","52.7295","0.0015","90","","90","","90","","3890","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cu N2 O7.5 -","- C16 H14 Cu N2 O7.5 -","- C128 H112 Cu8 N16 O60 -","8","2","","Zavakhina, Marina S.; Samsonenko, Denis G.; Virovets, Alexander V.; Dybtsev, Danil N.; Fedin, Vladimir P.","Homochiral Cu(II) and Ni(II) malates with tunable structural features","Journal of Solid State Chemistry","2014","210","1","125","129","10.1016/j.jssc.2013.11.011","","x-ray","1.54178","CuKα","","0.0529","0.0521","","","0.1387","0.1392","","","","","","1.078","","","","has coordinates","265093","2021-05-11","08:03:05",""
"1562484","9.9916","0.0007","16.3601","0.0014","16.5344","0.0014","90","","90","","90","","2702.8","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15.5 H18 N2 Ni O6.5 -","- C15.5 H18 N2 Ni O6.5 -","- C62 H72 N8 Ni4 O26 -","4","1","","Zavakhina, Marina S.; Samsonenko, Denis G.; Virovets, Alexander V.; Dybtsev, Danil N.; Fedin, Vladimir P.","Homochiral Cu(II) and Ni(II) malates with tunable structural features","Journal of Solid State Chemistry","2014","210","1","125","129","10.1016/j.jssc.2013.11.011","","x-ray","0.71073","MoKα","","0.1392","0.0822","","","0.218","0.2437","","","","","","1.004","","","","has coordinates","265093","2021-05-11","08:03:09",""
"1562538","8.0711","0.0002","9.6743","0.0003","22.7439","0.0007","90","","90","","90","","1775.89","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin","Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types.","Journal of natural products","2021","84","5","1442","1452","10.1021/acs.jnatprod.0c01180","","","1.54178","CuKα","","0.0548","0.0406","","","0.1127","0.1181","","","","","","1.007","","","","has coordinates","265755","2021-06-04","01:00:54",""
"1562539","9.622","","13.246","","13.922","","90","","90","","90","","1774.4","","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin","Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types.","Journal of natural products","2021","84","5","1442","1452","10.1021/acs.jnatprod.0c01180","","","1.54178","CuKα","","0.0455","0.0441","","","0.126","0.1279","","","","","","1.027","","","","has coordinates","265755","2021-06-04","01:00:55",""
"1562541","10.1197","0.0002","13.3423","0.0002","14.0083","0.0002","90","","90","","90","","1891.4","0.05","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin","Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types.","Journal of natural products","2021","84","5","1442","1452","10.1021/acs.jnatprod.0c01180","","","1.54178","CuKα","","0.0381","0.0377","","","0.1044","0.105","","","","","","1.057","","","","has coordinates","265755","2021-06-04","01:00:55",""
"1562543","7.447","0.002","9.642","0.002","23.098","0.005","90","","90","","90","","1658.5","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin","Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types.","Journal of natural products","2021","84","5","1442","1452","10.1021/acs.jnatprod.0c01180","","","1.54178","CuKα","","0.0334","0.0299","","","0.0784","0.0811","","","","","","1.081","","","","has coordinates","265755","2021-06-04","01:00:55",""
"1562544","10.3562","0.0006","10.6612","0.0006","19.9903","0.0011","90","","90","","90","","2207.1","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O7 -","- C26 H34 O7 -","- C104 H136 O28 -","4","1","","Nyamboki, Divinah K.; Bedane, Kibrom G.; Hassan, Khadija; Brieger, Lukas; Strohmann, Carsten; Spiteller, Michael; Matasyoh, Josphat C.","Cytotoxic Compounds from the Stem Bark of Two subsp. of <i>Bersama abyssinica</i>.","Journal of natural products","2021","84","5","1453","1458","10.1021/acs.jnatprod.0c01141","","x-ray","1.54178","CuKα","","0.0288","0.0288","","","0.0787","0.0787","","","","","","1.067","","","","has coordinates","265758","2021-06-04","01:02:16",""
"1562583","4.9747","0.0003","9.178","0.0008","16.6817","0.0019","90","","90","","90","","761.65","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","potassium tungstate-arsenate","","","- As K O9 W2 -","- As K O9 W2 -","- As4 K4 O36 W8 -","4","1","","Alekseev, Evgeny V.; Felbinger, Olivier; Wu, Shijun; Malcherek, Thomas; Depmeier, Wulf; Modolo, Giuseppe; Gesing, Thorsten M.; Krivovichev, Sergey V.; Suleimanov, Evgeny V.; Gavrilova, Tatiana A.; Pokrovsky, Lev D.; Pugachev, Alexey M.; Surovtsev, Nikolay V.; Atuchin, Victor V.","K[AsW2O9], the first member of the arsenate‒tungsten bronze family: Synthesis, structure, spectroscopic and non-linear optical properties","Journal of Solid State Chemistry","2013","204","","59","63","10.1016/j.jssc.2013.04.038","","","0.71073","MoKα","","0.0171","0.0145","","","0.0256","0.026","","","","","","1.054","","","","has coordinates","265267","2021-05-17","07:51:31",""
"1562619","7.345","0.0004","11.5313","0.0008","23.7692","0.0018","90","","90","","90","","2013.2","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N4 O5 S -","- C21 H16 N4 O5 S -","- C84 H64 N16 O20 S4 -","4","1","","Mondal, Bivas; Maiti, Rakesh; Yang, Xing; Xu, Jun; Tian, Weiyi; Yan, Jialei; Li, Xiangyang; Chi, Yonggui Robin","Carbene-Catalyzed Enantioselective Annulation of Dinucleophilic Hydrazones and Bromoenals for Access to Aryl-Dihydropyridazinones and Related Drugs","Chemical Science","2021","","","","","10.1039/D1SC01891D","","x-ray","0.71073","MoKα","","0.0649","0.0456","","","0.0856","0.0945","","","","","","1.035","","","","has coordinates,has disorder","265285","2021-05-18","03:07:49",""
"1562704","4.9972","0.0001","11.0259","0.0003","17.4912","0.0005","90","","90","","90","","963.74","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","copper molybdate lyonsite","","","- Cu3.83 Mo3 O12 -","- Cu3.815 Mo3 O12 -","- Cu15.26 Mo12 O48 -","4","1","","Raw, Adam D.; Ibers, James A.; Poeppelmeier, Kenneth R.","Improved synthesis and characterization of the copper Lyonsite-type compound Cu4−xMo3O12","Journal of Solid State Chemistry","2013","200","","165","169","10.1016/j.jssc.2013.01.017","","","0.71073","MoKα","","0.0204","0.0198","","","0.0502","0.0504","","","","","","1.499","","","","has coordinates","265362","2021-05-20","08:02:10",""
"1562745","8.7335","0.0003","12.167","0.0004","16.1121","0.0005","90","","90","","90","","1712.08","0.1","140","","140","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O5 -","- C18 H26 O5 -","- C72 H104 O20 -","4","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0336","0.0326","","","0.0835","0.0845","","","","","","1.078","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562746","6.0582","0.0002","12.5066","0.0004","22.5946","0.0007","90","","90","","90","","1711.94","0.09","140","","140","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O6 -","- C17 H26 O6 -","- C68 H104 O24 -","4","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54184","CuKα","","0.0382","0.0358","","","0.0915","0.0936","","","","","","1.08","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562747","6.1916","0.0002","13.7904","0.0003","18.8869","0.0004","90","","90","","90","","1612.65","0.07","140","","140","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C68 H88 O24 -","4","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0303","0.0292","","","0.0728","0.074","","","","","","1.055","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562750","6.4265","0.0002","9.3215","0.0004","22.7177","0.0008","90","","90","","90","","1360.9","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0381","0.0376","","","0.1069","0.1075","","","","","","1.047","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562751","6.6413","0.0001","14.8419","0.0003","16.7613","0.0003","90","","90","","90","","1652.15","0.05","140","","140","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O6 -","- C17 H24 O6 -","- C68 H96 O24 -","4","1","","Wang, Xing; Peng, Xia; Tang, Chunping; Zhou, Shuaizhen; Ke, Chang-Qiang; Liu, Yueling; Yao, Sheng; Ai, Jing; Ye, Yang","Anti-inflammatory Eudesmane Sesquiterpenoids from <i>Artemisia hedinii</i>.","Journal of natural products","2021","84","5","1626","1637","10.1021/acs.jnatprod.1c00177","","","1.54178","CuKα","","0.0292","0.0282","","","0.0712","0.0722","","","","","","1.084","","","","has coordinates","265757","2021-06-04","01:02:05",""
"1562756","11.746","0.002","12.121","0.002","20.783","0.004","90","","90","","90","","2958.9","0.9","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N3 Ni O3 -","- C34 H37 N3 Ni O3 -","- C136 H148 N12 Ni4 O12 -","4","1","","Gugkaeva, Zalina T.; Smol'yakov, Alexander F.; Maleev, Victor I.; Larionov, Vladimir A.","A general asymmetric synthesis of artificial aliphatic and perfluoroalkylated α-amino acids by Luche's cross-electrophile coupling reaction.","Organic & biomolecular chemistry","2021","19","24","5327","5332","10.1039/d1ob00805f","","","0.71073","MoKα","","0.0638","0.0445","","","0.0944","0.103","","","","","","1.02","","","","has coordinates","267227","2021-07-05","18:10:29",""
"1562757","10.1084","0.0004","12.8143","0.0005","21.4068","0.0009","90","","90","","90","","2772.87","0.19","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N3 Ni O3 -","- C31 H33 N3 Ni O3 -","- C124 H132 N12 Ni4 O12 -","4","1","","Gugkaeva, Zalina T.; Smol'yakov, Alexander F.; Maleev, Victor I.; Larionov, Vladimir A.","A general asymmetric synthesis of artificial aliphatic and perfluoroalkylated α-amino acids by Luche's cross-electrophile coupling reaction.","Organic & biomolecular chemistry","2021","19","24","5327","5332","10.1039/d1ob00805f","","","0.71073","MoKα","","0.0314","0.028","","","0.0709","0.073","","","","","","1.033","","","","has coordinates","267227","2021-07-05","18:10:29",""
"1562785","7.3333","0.0015","9.4304","0.0019","13.835","0.003","90","","90","","90","","956.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N O7 Zn -","- C7 H9 N O7 Zn -","- C28 H36 N4 O28 Zn4 -","4","1","","Jin, Jing; Han, Xiao; Meng, Qin; Li, Dan; Chi, Yu-Xian; Niu, Shu-Yun","Syntheses, structures and photoelectric properties of a series of Cd(II)/Zn(II) coordination polymers and coordination supramolecules","Journal of Solid State Chemistry","2013","197","","92","102","10.1016/j.jssc.2012.09.016","","","0.71073","MoKα","","0.017","0.0165","","","0.0405","0.0406","","","","","","1.098","","","","has coordinates","265412","2021-05-21","08:31:13",""
"1562814","10.9276","0.0007","12.2037","0.0007","21.9741","0.0013","90","","90","","90","","2930.4","0.3","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O7 -","- C31 H40 O7 -","- C124 H160 O28 -","4","1","","Xiao, Yao; Wang, Neng; Wan, Lin-Xi; Zhou, Xian-Li; Li, Xiaohuan; Gao, Feng","Iron-Catalyzed Skeletal Conversion of Lathyrane to Premyrsinane Euphorbia Diterpenes and Their Cytotoxic Activities","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01363","","x-ray","0.71073","MoKα","","0.1041","0.0668","","","0.1561","0.1816","","","","","","1.035","","","","has coordinates,has disorder","265439","2021-05-21","23:09:29",""
"1562892","7.3339","0.0001","11.0182","0.0002","20.2959","0.0004","90","","90","","90","","1640.04","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Cheng, Gui-Guang; Liu, Ya-Ping; Gu, Ji; Qian, Sheng-Yan; Yang, Hong-Jun; Na, Zhong-Yuan; Luo, Xiao-Dong","Phytochemicals and Allelopathy of Induced Water Hyacinth against <i>Microcystis aeruginosa</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00075","","","1.54178","CuKα","","0.0535","0.0506","","","0.1398","0.141","","","","","","1.065","","","","has coordinates","265512","2021-05-26","23:11:49",""
"1562895","5.8533","0.0012","7.9653","0.0017","34.781","0.008","90","","90","","90","","1621.6","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","","Nelson, Eryn; Formen, Jeffrey S. S. K.; Wolf, Christian","Rapid Organocatalytic Chirality Analysis of Amines, Amino Acids, Alcohols, Amino Alcohols and Diols with Achiral Iso(thio)cyanate Probes","Chemical Science","2021","","","","","10.1039/D1SC02061G","","","0.71073","MoKα","","0.0364","0.032","","","0.0737","0.076","","","","","","1.06","","","","has coordinates","265514","2021-05-27","01:02:11",""
"1562967","6.919","0.002","9.653","0.003","19.319","0.006","90","","90","","90","","1290.3","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C56 H52 Cl4 N8 O8 -","4","1","HB4383","Yang, Xing; Long, Sihui","Methyl 2-(3-chloro-2-methylanilino)pyridine-3-carboxylate","IUCrData","2021","6","5","x210539","","10.1107/S2414314621005393","","","0.71073","MoKα","","0.0783","0.0475","","","0.1256","0.1441","","","","","","1.011","","","","has coordinates,has Fobs","265615","2021-05-29","05:36:01",""
"1563071","9.1273","0.0006","10.9329","0.0007","21.1262","0.0013","90","","90","","90","","2108.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cr3 O25 U2 Zn -","- Cr3 O25 U2 Zn -","- Cr12 O100 U8 Zn4 -","4","1","","Unruh, Daniel K.; Baranay, Michelle; Pressprich, Laura; Stoffer, Megan; Burns, Peter C.","Synthesis and characterization of uranyl chromate sheet compounds containing edge-sharing dimers of uranyl pentagonal bipyramids","Journal of Solid State Chemistry","2012","186","","158","164","10.1016/j.jssc.2011.11.033","","","0.71073","MoKα","","0.0416","0.0372","","","0.091","0.0938","","","","","","1.006","","","","has coordinates","265664","2021-06-02","07:19:17",""
"1563086","6.947","0.0002","7.0934","0.0002","25.7464","0.0006","90","","90","","90","","1268.73","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- La O15 U2 V3 -","- La O15 U2 V3 -","- La4 O60 U8 V12 -","4","1","","Mer, A.; Obbade, S.; Rivenet, M.; Renard, C.; Abraham, F.","[La(UO2)V2O7][(UO2)(VO4)] the first lanthanum uranyl-vanadate with structure built from two types of sheets based upon the uranophane anion-topology","Journal of Solid State Chemistry","2012","185","","180","186","10.1016/j.jssc.2011.10.042","","","0.71073","MoKα","","0.0283","0.0219","","","0.0339","0.0352","","","","","","0.989","","","","has coordinates","265676","2021-06-02","08:56:59",""
"1563144","6.0066","0.0001","13.4882","0.0001","30.9882","0.0004","90","","90","","90","","2510.61","0.06","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 O9 -","- C29 H30 O9 -","- C116 H120 O36 -","4","1","","Li, Xiaoxia; Wu, Ping; Li, Hanxiang; Xue, Jinghua; Xu, Hanhong; Wei, Xiaoyi","Antibacterial and Cytotoxic Phenyltetracenoid Polyketides from <i>Streptomyces morookaense</i>.","Journal of natural products","2021","84","6","1806","1815","10.1021/acs.jnatprod.1c00208","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","266970","2021-07-04","01:46:12",""
"1563250","8.9653","0.0007","11.3985","0.0008","19.7211","0.0013","90","","90","","90","","2015.3","0.2","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 Ce N6 Sb Se4 -","- C8 H26 Ce N6 Sb Se4 -","- C32 H104 Ce4 N24 Sb4 Se16 -","4","1","","Zhao, Jing; Liang, Jingjing; Pan, Yingli; Zhang, Yong; Jia, Dingxian","Effect of lanthanide contraction on the mixed polyamine systems Ln/Sb/Se/(en+dien) and Ln/Sb/Se/(en+trien): Syntheses and characterizations of lanthanide complexes with a tetraelenidoantimonate ligand","Journal of Solid State Chemistry","2011","184","6","1451","1458","10.1016/j.jssc.2011.03.039","","","0.71073","MoKα","","0.0278","0.025","","","0.0442","0.0452","","","","","","1.063","","","","has coordinates","266292","2021-06-09","07:55:52",""
"1563281","7.0652","0.0001","8.2606","0.0001","16.266","0.0003","90","","90","","90","","949.33","0.02","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 K2 O8 -","- C6 H8 K2 O8 -","- C24 H32 K8 O32 -","4","1","","Lv, Yao-Kang; Feng, Yun-Long; Liu, Ji-Wei; Jiang, Zhan-Guo","Two new frameworks of potassium saccharate obtained from acidic and alkaline solution","Journal of Solid State Chemistry","2011","184","5","1339","1345","10.1016/j.jssc.2011.03.042","","","0.71073","MoKα","","0.019","0.0183","","","0.0474","0.0481","","","","","","1","","","","has coordinates","266350","2021-06-10","07:38:17",""
"1563321","8.9047","0.0003","13.1177","0.0003","19.501","0.0006","90","","90","","90","","2277.9","0.12","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","SIT_116PF6_150K","","","- C21 H22 Cl F6 N2 O Os P -","- C21 H22 Cl F6 N2 O Os P -","- C84 H88 Cl4 F24 N8 O4 Os4 P4 -","4","1","","Infante-Tadeo, Sonia; Rodriguez, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.","Osmium(II) Tethered Half-Sandwich Complexes: pH-dependent Aqueous Speciation and Transfer Hydrogenation in Cells","Chemical Science","2021","","","","","10.1039/D1SC01939B","","","0.71073","MoKα","","0.0348","0.0305","","","0.078","0.0798","","","","","","1.071","","","","has coordinates","266372","2021-06-11","01:02:15",""
"1563354","5.2479","0.00004","18.15502","0.00012","21.35505","0.00016","90","","90","","90","","2034.62","0.03","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O2 S2 -","- C24 H23 N O2 S2 -","- C96 H92 N4 O8 S8 -","4","1","","Zhu, Xin-Qi; Hong, Pan; Zheng, Yan-Xin; Zhen, Ying-Ying; Hong, Feng-Lin; Lu, Xin; Ye, Long-Wu","Copper-catalyzed asymmetric cyclization of alkenyl diynes: method development and new mechanistic insights","Chemical Science","2021","","","","","10.1039/D1SC02773E","","x-ray","1.54184","CuKα","","0.0286","0.0281","","","0.074","0.0745","","","","","","1.04","","","","has coordinates","266405","2021-06-12","00:57:09",""
"1563411","5.1068","0.0004","8.5769","0.0006","17.3195","0.0011","90","","90","","90","","758.6","0.09","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H6 B F4 Li O2 S -","- C2 H6 B F4 Li O2 S -","- C8 H24 B4 F16 Li4 O8 S4 -","4","1","","Ugata, Yosuke; Sasagawa, Shohei; Tatara, Ryoichi; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru","Structural Effects of Solvents on Li-Ion-Hopping Conduction in Highly Concentrated LiBF<sub>4</sub>/Sulfone Solutions.","The journal of physical chemistry. B","2021","125","24","6600","6608","10.1021/acs.jpcb.1c01361","","","0.71073","MoKα","","0.0505","0.0453","","","0.1131","0.1162","","","","","","1.08","","","","has coordinates","266972","2021-07-04","01:48:38",""
"1563420","8.2881","0.0003","22.4879","0.0006","26.3395","0.0009","90","","90","","90","","4909.2","0.3","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H44 F15 N5 O Pd -","- C54 H44 F15 N5 O Pd -","- C216 H176 F60 N20 O4 Pd4 -","4","1","","Sasano, Yoshifumi; Maeda, Hiromitsu; Tanaka, Hiroki; Haketa, Yohei; Kobayashi, Yoichi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Morimoto, Tatsuki; Yasuda, Nobuhiro; Sato, Ryuma; Shigeta, Yasuteru","Ion-pairing π-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins","Chemical Science","2021","","","","","10.1039/D1SC02260A","","","0.78192","Synchrotron","","0.1046","0.0641","","","0.1539","0.1982","","","","","","1.101","","","","has coordinates,has disorder","266448","2021-06-15","01:02:28",""
"1563421","8.1911","0.0016","22.065","0.004","25.559","0.005","90","","90","","90","","4619.4","1.5","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H44 F15 N5 O Pt -","- C54 H44 F15 N5 O Pt -","- C216 H176 F60 N20 O4 Pt4 -","4","1","","Sasano, Yoshifumi; Maeda, Hiromitsu; Tanaka, Hiroki; Haketa, Yohei; Kobayashi, Yoichi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Morimoto, Tatsuki; Yasuda, Nobuhiro; Sato, Ryuma; Shigeta, Yasuteru","Ion-pairing π-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins","Chemical Science","2021","","","","","10.1039/D1SC02260A","","","0.7829","Synchrotron","","0.0846","0.0636","","","0.1351","0.1609","","","","","","1.127","","","","has coordinates","266448","2021-06-15","01:02:28",""
"1563531","34.747","0.005","6.7509","0.0009","8.0407","0.0013","90","","90","","90","","1886.1","0.5","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 I N2 -","- C21 H23 I N2 -","- C84 H92 I4 N8 -","4","1","","Li, Xuechen; Niu, Guangle; Tian, Minggang; Lu, Qing; Cui, Yuezhi; Yu, Xiaoqiang","Two-Color Visualization of Cholesterol Fluctuation in Plasma Membranes by Spatial Distribution-Controllable Single Fluorescent Probes","Analytical Chemistry","2021","","","","","10.1021/acs.analchem.1c00481","","","0.71073","MoKα","","0.1511","0.1153","","","0.2708","0.29","","","","","","1.126","","","","has coordinates","266498","2021-06-16","22:10:16",""
"1563544","7.142","0.002","17.146","0.005","25.719","0.007","90","","90","","90","","3149.5","1.5","","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- In2 Sb6 Zn9 -","- In2 Sb6 Zn9 -","- In16 Sb48 Zn72 -","8","2","","Wu, Yang; Tengå, Andreas; Lidin, Sven; Häussermann, Ulrich","Phase relations and structural properties of the ternary narrow gap semiconductors Zn5Sb4In2−δ (δ=0.15) and Zn9Sb6In2","Journal of Solid State Chemistry","2010","183","7","1574","1581","10.1016/j.jssc.2010.05.001","","","0.71069","MoKα","","0.1885","0.0408","","","0.0837","0.1028","","","","1.6","1.6","0.92","","","","has coordinates","266528","2021-06-17","08:57:55",""
"1563558","6.24107","0.00009","8.21018","0.00012","26.5277","0.0005","90","","90","","90","","1359.29","0.04","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Varela, Kaitlyn; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of [15,15,15-2H3]-Dihydroartemisinic Acid and Isotope Studies Support a Mixed Mechanism in the Endoperoxide Formation to Artemisinin","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00246","","x-ray","1.54184","CuKα","","0.032","0.0304","","","0.078","0.0795","","","","","","1.014","","","","has coordinates","266542","2021-06-17","23:08:49",""
"1563559","6.3116","0.0002","23.9499","0.0006","9.3031","0.0003","90","","90","","90","","1406.28","0.07","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Varela, Kaitlyn; Arman, Hadi D.; Yoshimoto, Francis K.","Synthesis of [15,15,15-2H3]-Dihydroartemisinic Acid and Isotope Studies Support a Mixed Mechanism in the Endoperoxide Formation to Artemisinin","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00246","","x-ray","1.54184","CuKα","","0.0518","0.0505","","","0.134","0.1346","","","","","","1.099","","","","has coordinates","266543","2021-06-17","23:09:12",""
"1563603","9.3386","0.0003","10.3729","0.0003","24.4089","0.0007","90","","90","","90","","2364.45","0.12","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O6 -","- C24 H25 N3 O6 -","- C96 H100 N12 O24 -","4","1","","Wu, Yong-Jie; Xie, Pei-Pei; Zhou, Gang; Yao, Qi-Jun; Hong, Xin; Shi, Bing-Feng","Atroposelective synthesis of N-aryl peptoid atropisomers via a palladium(ii)-catalyzed asymmetric C‒H alkynylation strategy","Chemical Science","2021","","","","","10.1039/D1SC01130H","","","1.54178","CuKα","","0.0288","0.0287","","","0.0733","0.0734","","","","","","1.071","","","","has coordinates,has disorder","266585","2021-06-20","00:50:52",""
"1563644","10.3885","0.0002","14.7402","0.0004","19.0069","0.0005","90","","90","","90","","2910.5","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 N O12 -","- C31 H35 N O12 -","- C124 H140 N4 O48 -","4","1","","Zhao, Yuxiang; Zhu, Yanren; Ma, Guolan; Wei, Qi; Yang, Shaoxiong; Zeng, Xiaoyu; Zhang, Hongbin; Chen, Jingbo","Short, enantioselective, gram-scale synthesis of (−)-zephyranthine","Chemical Science","2021","","","","","10.1039/D1SC03147C","","","1.54178","CuKα","","0.026","0.0256","","","0.0631","0.0635","","","","","","1.074","","","","has coordinates","266622","2021-06-23","00:54:59",""
"1563678","5.5481","0.0006","5.5766","0.0006","62.078","0.008","90","","90","","90","","1920.7","0.4","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 F5 O -","- C19 H33 F5 O -","- C76 H132 F20 O4 -","4","1","","Clark, Joshua L.; Taylor, Alaric; Geddis, Ailsa; Neyyappadath, Rifahath M.; Piscelli, Bruno A.; Yu, Cihang; Cordes, David B.; Slawin, Alexandra M. Z.; Cormanich, Rodrigo A.; Guldin, Stefan; O'Hagan, David","Supramolecular packing of alkyl substituted Janus face all-cis 2,3,4,5,6-pentafluorocyclohexyl motifs","Chemical Science","2021","","","","","10.1039/D1SC02130C","","","1.54184","CuKα","","0.2012","0.1806","","","0.4689","0.4893","","","","","","1.809","","","","has coordinates","266648","2021-06-24","00:57:19",""
"1563702","3.5871","0.0003","6.6968","0.0004","14.6679","0.0009","90","","90","","90","","352.35","0.04","295","","295","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- Cu O5 Ti Zr -","- Cu O5 Ti Zr -","- Cu4 O20 Ti4 Zr4 -","4","1","","Troitzsch, Ulrike; Christy, Andrew G.; Willis, Anthony C.; Ellis, David J.","Synthesis and crystal structure of CuZrTiO5—A new crystal structure type","Journal of Solid State Chemistry","2010","183","3","668","675","10.1016/j.jssc.2010.01.005","","","0.71073","MoKα","","0.0358","0.0319","","0.0792","0.0765","0.0792","","","","","","1.0011","","","","has coordinates","266681","2021-06-25","09:40:12",""
"1563746","7.13141","0.00004","15.63357","0.00006","30.34804","0.00013","90","","90","","90","","3383.48","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 N2 O9 -","- C34 H48 N2 O9 -","- C136 H192 N8 O36 -","4","1","","Duan, Fang-Fang; Liu, Lin; Gao, Ying; Peng, Xiao-Gang; Meng, Xiang-Gao; Ruan, Han-Li","[11]-Chaetoglobosins from Pseudeurotium bakeri Induce G2/M Cell Cycle Arrest and Apoptosis in Human Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.0c01335","","x-ray","1.54184","CuKα","","0.0371","0.0366","","","0.097","0.0973","","","","","","1.104","","","","has coordinates","266751","2021-06-28","23:11:18",""
"1563782","9.6132","0.0004","17.1589","0.0007","20.1048","0.0009","90","","90","","90","","3316.3","0.2","148","2","148","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 N2 O7 S -","- C35 H38 N2 O7 S -","- C140 H152 N8 O28 S4 -","4","1","","Zhong, Xia; Tan, Jiuqi; Qiao, Jianglin; Zhou, Yuqiao; Lv, Cidan; Su, Zhishan; Dong, Shunxi; Feng, Xiaoming","Asymmetric catalytic synthesis of spirocyclobutyl oxindoles and beyond via [2+2] cycloaddition and sequential transformations","Chemical Science","2021","","","","","10.1039/D1SC02681J","","","1.54178","CuKα","","0.0284","0.0275","","","0.0699","0.071","","","","","","1.058","","","","has coordinates","266795","2021-06-30","01:18:34",""
"1563787","9.5655","0.0001","28.3065","0.0003","30.0116","0.0003","90","","90","","90","","8126.12","0.15","100.01","0.1","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- K0.1 Mg2 Na1.9 O12 S3 -","- K0.104889 Mg2 Na1.89511 O12 S3 -","- K3.776 Mg72 Na68.224 O432 S108 -","36","9","","Trussov, I.A.; Driscoll, L.L.; Male, L.L.; Sanjuan, M.L.; Orera, A.; Slater, P.R.","Synthesis and structures of sodium containing K2-xNaxMg2(SO4)3 langbeinite phases","Journal of Solid State Chemistry","2019","276","","37","46","10.1016/j.jssc.2019.04.036","","","1.54184","CuKα","","0.0288","0.0266","","","0.0694","0.071","","","","","","1.064","","","","has coordinates,has disorder","266802","2021-06-30","07:13:19",""
"1563802","6.0042","0.0003","15.3676","0.0006","19.9448","0.0008","90","","90","","90","","1840.31","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N P -","- C19 H30 N P -","- C76 H120 N4 P4 -","4","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","1.54178","CuKα","","0.0365","0.0359","","","0.095","0.0962","","","","","","1.109","","","","has coordinates","266825","2021-07-01","01:12:18",""
"1563809","10.3933","0.0015","17.413","0.003","20.363","0.003","90","","90","","90","","3685.3","1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H30 B F15 N P -","- C37 H30 B F15 N P -","- C148 H120 B4 F60 N4 P4 -","4","1","","Fischer, Malte; Hering-Junghans, Christian","On 1,3-Phosphaazaallenes and their Diverse Reactivity","Chemical Science","2021","","","","","10.1039/D1SC02947A","","","0.71073","MoKα","","0.0635","0.0419","","","0.0875","0.0978","","","","","","1.012","","","","has coordinates,has disorder","266825","2021-07-01","01:12:19",""
"1563815","5.3394","0.0001","10.5708","0.0002","29.822","0.0006","90","","90","","90","","1683.21","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O7 -","- C19 H22 O7 -","- C76 H88 O28 -","4","1","","Sun, Jiawei; Gu, Wei; Yang, He; Tang, Wenjun","Enantioselective Total Synthesis of Parnafungin A1 and 10a-epi-Hirtusneanine","Chemical Science","2021","","","","","10.1039/D1SC02919C","","","1.54178","CuKα","","0.0528","0.0467","","","0.1109","0.1166","","","","","","1.017","","","","has coordinates","266827","2021-07-01","01:14:48",""
"1563821","9.5325","0.0003","10.0173","0.0004","37.6713","0.0015","90","","90","","90","","3597.2","0.2","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Cl6 N2 O6 Si -","- C34 H32 Cl6 N2 O6 Si -","- C136 H128 Cl24 N8 O24 Si4 -","4","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0844","0.058","","","0.1177","0.1368","","","","","","1.151","","","","has coordinates,has disorder","266847","2021-07-01","07:03:31",""
"1563822","9.7871","0.0002","10.8431","0.0002","25.8544","0.0006","90","","90","","90","","2743.73","0.1","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl3 N O3 Si -","- C29 H26 Cl3 N O3 Si -","- C116 H104 Cl12 N4 O12 Si4 -","4","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0375","0.0314","","","0.0741","0.0777","","","","","","1.028","","","","has coordinates","266848","2021-07-01","07:05:16",""
"1563827","9.2326","0.0003","14.8212","0.0005","17.0034","0.0006","90","","90","","90","","2326.71","0.14","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O3 Sn -","- C24 H33 N O3 Sn -","- C96 H132 N4 O12 Sn4 -","4","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0217","0.0201","","","0.0515","0.052","","","","","","1.047","","","","has coordinates,has disorder","266853","2021-07-01","07:18:36",""
"1563830","9.3138","0.0003","10.8417","0.0005","16.9196","0.0005","90","","90","","90","","1708.5","0.11","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl Ge N O3 -","- C17 H18 Cl Ge N O3 -","- C68 H72 Cl4 Ge4 N4 O12 -","4","1","","Schwarzer, Sandra; Böhme, Uwe; Fels, Sabine; Günther, Betty; Brendler, Erica","(S)-N-[(2-hydroxynaphthalen-1-yl)methylidene]valine ‒ A valuable ligand for the preparation of chiral complexes","Inorganica Chimica Acta","2018","483","","136","147","10.1016/j.ica.2018.08.011","","","0.71073","MoKα","","0.0258","0.0229","","","0.0561","0.0575","","","","","","1.039","","","","has coordinates","266856","2021-07-01","07:28:52",""
"1563859","7.6662","0.0015","9.925","0.002","10.643","0.002","90","","90","","90","","809.8","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,6aS)-3,3-dichloro-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-one","","- C7 H6 Cl2 O2 -","- C7 H6 Cl2 O2 -","- C28 H24 Cl8 O8 -","4","1","","Zhu, Kejie; Jiang, Meifen; Ye, Baijun; Zhang, Guo-Tai; Li, Weijian; Tang, Pei; Huang, Zedu; Chen, Fener","Unified Strategy to Prostaglandins: Chemoenzymatic Total Synthesis of Cloprostenol, Bimatoprost, PGF2, Fluprostenol, and Travoprost Guided by Biocatalytic Retrosynthesis","Chemical Science","2021","","","","","10.1039/D1SC03237B","","","1.34138","GaKα","","0.0304","0.0238","","","0.0594","0.0605","","","","","","1.058","","","","has coordinates","266880","2021-07-02","01:01:52",""
"1563861","10.2477","0.0007","10.2877","0.0005","10.6997","0.0005","90","","90","","90","","1128.02","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 O2 -","- C16 H10 O2 -","- C64 H40 O8 -","4","1","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","x-ray","0.71073","MoKα","","0.0303","0.029","","","0.0761","0.0769","","","","","","1.063","","","","has coordinates","266881","2021-07-02","01:04:14",""
"1563862","8.025","0.002","26.772","0.007","27.166","0.007","90","","90","","90","","5836","3","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C81 H68 -","- C81 H68 -","- C324 H272 -","4","1","","Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit","Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs","Chemical Science","2021","","","","","10.1039/D1SC02718B","","x-ray","0.71073","MoKα","","0.0757","0.0529","","","0.1153","0.1249","","","","","","1.057","","","","has coordinates","266881","2021-07-02","01:04:14",""
"1563901","11.8318","0.0005","14.3813","0.0006","16.3643","0.0006","90","","90","","90","","2784.49","0.19","298.4","0.6","298.4","0.6","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 O11 -","- C31 H36 O11 -","- C124 H144 O44 -","4","1","","Chen, Jian-Jun; Bai, Wei; Lu, Yu-Bo; Feng, Zi-Yun; Gao, Kun; Yue, Jian-Min","Quassinoids with Inhibitory Activities against Plant Fungal Pathogens from <i>Picrasma javanica</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00096","","","1.54184","CuKα","","0.0705","0.0661","","","0.1938","0.2033","","","","","","1.113","","","","has coordinates","266917","2021-07-02","23:14:37",""
"1563902","11.3919","0.0005","12.9423","0.0006","21.1734","0.0012","90","","90","","90","","3121.8","0.3","280","2","280","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 Cl6 O8 -","- C25 H34 Cl6 O8 -","- C100 H136 Cl24 O32 -","4","1","","Chen, Jian-Jun; Bai, Wei; Lu, Yu-Bo; Feng, Zi-Yun; Gao, Kun; Yue, Jian-Min","Quassinoids with Inhibitory Activities against Plant Fungal Pathogens from <i>Picrasma javanica</i>.","Journal of natural products","2021","","","","","10.1021/acs.jnatprod.1c00096","","","1.54184","CuKα","","0.0628","0.0563","","","0.1554","0.1654","","","","","","1.025","","","","has coordinates,has disorder","266918","2021-07-02","23:14:59",""
"1563929","14.7919","0.0015","15.2317","0.0019","16.8982","0.0019","90","","90","","90","","3807.3","0.7","100","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","PS009","","","- C36 H56 B F4 P4 Rh -","- C36 H56 B F4 P4 Rh -","- C144 H224 B4 F16 P16 Rh4 -","4","1","","Scheetz, Perry M.; Blank, Natalia F.; Gibbons, Sarah K.; Glueck, David S.; Rheingold, Arnold L.","Oxidative addition of methylene chloride to Me-DuPhos complexes of palladium and rhodium","Inorganica Chimica Acta","2018","483","","111","115","10.1016/j.ica.2018.08.007","","","0.71073","MoKα","","0.0294","0.027","","","0.0644","0.0663","","","","","","1.037","","","","has coordinates","266990","2021-07-05","09:03:43",""
"1563930","12.6298","0.0006","20.0689","0.0009","22.7254","0.0009","90","","90","","90","","5760.1","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 Cl14 P4 Rh2 -","- C42 H68 Cl14 P4 Rh2 -","- C168 H272 Cl56 P16 Rh8 -","4","1","","Scheetz, Perry M.; Blank, Natalia F.; Gibbons, Sarah K.; Glueck, David S.; Rheingold, Arnold L.","Oxidative addition of methylene chloride to Me-DuPhos complexes of palladium and rhodium","Inorganica Chimica Acta","2018","483","","111","115","10.1016/j.ica.2018.08.007","","","0.71073","MoKα","","0.0946","0.0622","","","0.1226","0.1376","","","","","","1.036","","","","has coordinates,has disorder","266990","2021-07-05","09:03:43",""
"1563942","6.5413","0.0001","6.8326","0.0001","38.8317","0.0004","90","","90","","90","","1735.55","0.04","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Chen, Jun; Shi, Zhan; Li, Chunyu; Lu, Ping","Catalytic Enantioselective Synthesis of Benzocyclobutenols and Cyclobutanols via A Sequential Reduction/C-H Functionalization","Chemical Science","2021","","","","","10.1039/D1SC02119B","","x-ray","1.54184","CuKα","","0.0249","0.0246","","","0.0626","0.0628","","","","","","1.036","","","","has coordinates","267260","2021-07-06","01:23:50",""
"1563943","6.5336","0.0002","7.004","0.0002","25.2509","0.0008","90","","90","","90","","1155.51","0.06","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Chen, Jun; Shi, Zhan; Li, Chunyu; Lu, Ping","Catalytic Enantioselective Synthesis of Benzocyclobutenols and Cyclobutanols via A Sequential Reduction/C-H Functionalization","Chemical Science","2021","","","","","10.1039/D1SC02119B","","","1.54178","CuKα","","0.0338","0.0333","","","0.0899","0.0905","","","","","","1.046","","","","has coordinates","267260","2021-07-06","01:23:51",""
"1563983","7.2577","0.0003","21.6424","0.0009","27.4338","0.001","90","","90","","90","","4309.1","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H59 N5 Rh2 -","- C50 H59 N5 Rh2 -","- C200 H236 N20 Rh8 -","4","1","","Zhang, Nan; Zhu, Di; Herbert, David E.; van Leest, Nicolaas P.; de Bruin, Bas; Budzelaar, Peter H.M.","Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes","Inorganica Chimica Acta","2018","482","","709","716","10.1016/j.ica.2018.06.015","","x-ray","0.71073","MoKα","","0.0538","0.0418","","","0.082","0.0862","","","","","","1.123","","","","has coordinates","267294","2021-07-06","09:14:20",""
"1563993","7.742","0.00009","18.7784","0.0002","20.7717","0.0003","90","","90","","90","","3019.84","0.06","105","7","105","7","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 N2 O9 -","- C29 H40 N2 O9 -","- C116 H160 N8 O36 -","4","1","","Xie, Yuhui; Guo, Lang; Huang, Jie; Huang, Xiaolong; Cong, Ziwen; Liu, Qianqian; Wang, Qianshu; Pang, Xiaoyan; Xiang, Songtao; Zhou, Xuefeng; Liu, Yonghong; Wang, Junjian; Wang, Junfeng","Cyclopentenone-Containing Tetrahydroquinoline and Geldanamycin Alkaloids from Streptomyces malaysiensis as Potential Anti-Androgens against Prostate Cancer Cells","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00297","","x-ray","1.54184","CuKα","","0.0641","0.0575","","","0.1403","0.1428","","","","","","1.064","","","","has coordinates","267308","2021-07-06","23:18:41",""
"1564103","8.6212","0.0004","10.6416","0.0005","20.3192","0.0009","90","","90","","90","","1864.15","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl2 Mn N4 O -","- C17 H16 Cl2 Mn N4 O -","- C68 H64 Cl8 Mn4 N16 O4 -","4","1","","Tyagi, Nidhi; Singh, Ovender; Mishra, Rakesh K.; Ghosh, Kaushik","Bio-macromolecular interaction studies: Synthesis, crystal structure of water-soluble manganese(II) complexes","Inorganica Chimica Acta","2020","512","","119882","","10.1016/j.ica.2020.119882","","","0.71073","MoKα","","0.0838","0.0599","","","0.1473","0.1672","","","","","","1.045","","","","has coordinates","267440","2021-07-09","10:04:04",""
"1564110","5.8565","0.0007","8.6565","0.0012","36.543","0.006","90","","90","","90","","1852.6","0.5","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Giuri, Demetra; Marshall, Libby J.; Wilson, Claire; Seddon, Annela; Adams, Dave J.","Understanding gel-to-crystal transitions in supramolecular gels.","Soft matter","2021","17","30","7221","7226","10.1039/d1sm00770j","","","0.71073","MoKα","","0.0947","0.0487","","","0.0833","0.0992","","","","","","1.017","","","","has coordinates","268966","2021-09-06","12:41:35",""
"1564113","6.9948","0.0003","12.8459","0.0006","19.5395","0.0009","90","","90","","90","","1755.71","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 B4 Mn2 O7 -","- C10 H16 B4 Mn2 O7 -","- C40 H64 B16 Mn8 O28 -","4","1","","Prakash, Rini; Nanda Pradhan, Alaka; Ghosh, Sundargopal","Chemistry of bimetallic hexaborane(10) analogues: A combined experimental and theoretical study","Inorganica Chimica Acta","2020","512","","119898","","10.1016/j.ica.2020.119898","","","0.71073","MoKα","","0.0679","0.0397","","","0.0674","0.0781","","","","","","1.012","","","","has coordinates","267488","2021-07-13","07:22:17",""
"1564147","16.7127","0.0002","24.5777","0.0002","24.5908","0.0002","90","","90","","90","","10100.9","0.17","160","0.1","160","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98.1 H151.2 O29 -","- C98.1 H151.2 O29 -","- C392.4 H604.8 O116 -","4","1","","Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey","Crystal Structures of New Ivermectin Pseudopolymorphs","Crystals","2021","11","2","172","","10.3390/cryst11020172","","","1.54184","CuKα","","0.1051","0.0981","","","0.2873","0.2987","","","","","","1.485","","","","has coordinates","267528","2021-07-14","07:43:21",""
"1564148","16.7309","0.0001","24.5805","0.0002","24.5797","0.0002","90","","90","","90","","10108.5","0.13","160","0.2","160","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98.1 H152.2 O28.5 -","- C98.1 H147.2 O28.5 -","- C392.4 H588.8 O114 -","4","1","","Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey","Crystal Structures of New Ivermectin Pseudopolymorphs","Crystals","2021","11","2","172","","10.3390/cryst11020172","","","1.54184","CuKα","","0.101","0.0972","","","0.2745","0.2815","","","","","","1.043","","","","has coordinates","267529","2021-07-14","07:44:55",""
"1564149","8.54575","0.00008","13.85892","0.00012","18.16386","0.00014","90","","90","","90","","2151.23","0.03","149.7","0.4","149.7","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O2 S -","- C24 H26 N2 O2 S -","- C96 H104 N8 O8 S4 -","4","1","","Zhao, Hongyan; Zhang, Shaohui; Fang, Xiaojun; Chen, Liang; Ren, Wenshan","Synthesis, structure and catalytic activity of organozinc complexes derived from chiral sulfonylamidoazetidines","Inorganica Chimica Acta","2020","511","","119767","","10.1016/j.ica.2020.119767","","x-ray","1.54184","CuKα","","0.027","0.0267","","","0.0706","0.0708","","","","","","1.076","","","","has coordinates","267546","2021-07-15","07:38:12",""
"1564150","9.27344","0.0001","43.5007","0.0005","10.82622","0.00014","90","","90","","90","","4367.31","0.09","290.69","0.1","290.69","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H60 N4 O4 S2 Zn2 -","- C44 H60 N4 O4 S2 Zn2 -","- C176 H240 N16 O16 S8 Zn8 -","4","1","","Zhao, Hongyan; Zhang, Shaohui; Fang, Xiaojun; Chen, Liang; Ren, Wenshan","Synthesis, structure and catalytic activity of organozinc complexes derived from chiral sulfonylamidoazetidines","Inorganica Chimica Acta","2020","511","","119767","","10.1016/j.ica.2020.119767","","x-ray","1.54184","CuKα","","0.037","0.0359","","","0.0806","0.0811","","","","","","1.065","","","","has coordinates","267546","2021-07-15","07:38:13",""
"1564176","14.7935","0.0004","20.7861","0.0006","41.1035","0.0012","90","","90","","90","","12639.3","0.6","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C105.48 H139.19 Cl2.5 N6 Na1.5 Ni6 O37.75 -","- C105.48 H139.19 Cl2.5 N6 Na1.5 Ni6 O37.75 -","- C421.92 H556.759 Cl10 N24 Na6 Ni24 O151 -","4","1","","Farwa, Ume; Pait, Moumita; Ryu, Ji Yeon; Byun, Yong Min; Lee, Seul Gi; Jeong, Seung Hoo; Singh, Ovender; Singh, Neetu; Park, Hyoung-Ryun; Lee, Junseong","Multinuclear nickel(II) complexes with chiral schiff base ligand","Inorganica Chimica Acta","2020","511","","119798","","10.1016/j.ica.2020.119798","","","0.71073","MoKα","","0.0911","0.06","","","0.1417","0.1557","","","","","","1.03","","","","has coordinates,has disorder","267562","2021-07-15","10:02:10",""
"1564198","7.9695","0.0002","8.9845","0.0003","20.8803","0.0006","90","","90","","90","","1495.07","0.08","193","2","192.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H11 Br N2 -","- C19 H11 Br N2 -","- C76 H44 Br4 N8 -","4","1","","Lai, Liming; Fang, Bing; Fan, Mingyu; Cheng, Wenyu; Yin, Meizhen","Modulating Room-Temperature Phosphorescence through the Synergistic Effect of Heavy-Atom Effect and Halogen Bonding","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04989","","","0.71073","MoKα","","0.029","0.0285","","","0.0747","0.075","","","","","","1.067","","","","has coordinates","267605","2021-07-17","00:50:06",""
"1564199","7.9074","0.0003","8.8869","0.0003","20.9156","0.0009","90","","90","","90","","1469.79","0.1","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H11 Cl N2 -","- C19 H11 Cl N2 -","- C76 H44 Cl4 N8 -","4","1","","Lai, Liming; Fang, Bing; Fan, Mingyu; Cheng, Wenyu; Yin, Meizhen","Modulating Room-Temperature Phosphorescence through the Synergistic Effect of Heavy-Atom Effect and Halogen Bonding","The Journal of Physical Chemistry C","2021","","","","","10.1021/acs.jpcc.1c04989","","","0.71073","MoKα","","0.0383","0.0321","","","0.0723","0.0765","","","","","","1.05","","","","has coordinates","267606","2021-07-17","00:50:28",""
"1564218","7.8963","0.0001","16.026","0.0003","21.3509","0.0004","90","","90","","90","","2701.87","0.08","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 O7 -","- C33 H32 O7 -","- C132 H128 O28 -","4","1","","He, Qian; Fan, Yue; Liu, Yu; Rao, Li; You, Yun-Xia; Su, Yu; Zhou, Zhen; Xu, You-Kai; Zhang, Chuan-Rui","Cryptoyunnanones A‒H, Complex Flavanones from Cryptocarya yunnanensis","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00287","","x-ray","1.54184","CuKα","","0.0552","0.0508","","","0.1303","0.1335","","","","","","1.036","","","","has coordinates,has disorder","267649","2021-07-20","23:29:26",""
"1564219","11.7559","0.0002","14.8246","0.0003","15.3854","0.0003","90","","90","","90","","2681.31","0.09","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 O7 -","- C34 H32 O7 -","- C136 H128 O28 -","4","1","","He, Qian; Fan, Yue; Liu, Yu; Rao, Li; You, Yun-Xia; Su, Yu; Zhou, Zhen; Xu, You-Kai; Zhang, Chuan-Rui","Cryptoyunnanones A‒H, Complex Flavanones from Cryptocarya yunnanensis","Journal of Natural Products","2021","","","","","10.1021/acs.jnatprod.1c00287","","x-ray","1.54184","CuKα","","0.0573","0.0498","","","0.1233","0.129","","","","","","1.051","","","","has coordinates","267650","2021-07-20","23:29:48",""
"1564233","30.1406","0.0004","32.9119","0.0005","33.4887","0.0007","90","","90","","90","","33220.3","1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C112 H172 Ag3 Au6 N9 O38 P6 S6 -","- C112 H138 Ag3 Au6 N7.5 O16.5 P6 S6 -","- C896 H1104 Ag24 Au48 N60 O132 P48 S48 -","8","2","","Takeda, Hiroto; Kojima, Tatsuhiro; Yoshinari, Nobuto; Konno, Takumi","A mesoporous ionic solid with 272 AuI6AgI3CuII3 complex cations in a super huge crystal lattice","Chemical Science","2021","","","","","10.1039/D1SC02497C","","","0.6","synchrotron","","0.0773","0.0421","","","0.0883","0.0977","","","","","","0.929","","","","has coordinates","267708","2021-07-23","01:54:07",""
"1564239","9.4508","0.0003","10.5895","0.0003","24.6688","0.0006","90","","90","","90","","2468.83","0.12","289.62","0.18","289.62","0.18","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 O3 -","- C31 H28 O3 -","- C124 H112 O12 -","4","1","","Yang, Yang; Zhu, Bo; Zhu, Lei; Jiang, Ying; Guo, Chun-Ling; Gu, Jing; ouyang, qin; Du, Wei; Chen, Ying-Chun","Combining palladium and ammonium halide catalysts for Morita−Baylis−Hillman carbonates of methyl vinyl ketone: From 1,4-carbodipoles to ion pairs","Chemical Science","2021","","","","","10.1039/D1SC03517G","","x-ray","1.54184","CuKα","","0.0668","0.0632","","","0.1676","0.1746","","","","","","1.033","","","","has coordinates","267710","2021-07-23","01:57:28",""
"1564240","17.1259","0.0004","16.6316","0.0003","9.8931","0.0002","90","","90","","90","","2817.86","0.1","296.2","0.4","296.2","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 N O6 -","- C33 H31 N O6 -","- C132 H124 N4 O24 -","4","1","","Yang, Yang; Zhu, Bo; Zhu, Lei; Jiang, Ying; Guo, Chun-Ling; Gu, Jing; ouyang, qin; Du, Wei; Chen, Ying-Chun","Combining palladium and ammonium halide catalysts for Morita−Baylis−Hillman carbonates of methyl vinyl ketone: From 1,4-carbodipoles to ion pairs","Chemical Science","2021","","","","","10.1039/D1SC03517G","","x-ray","1.54184","CuKα","","0.1356","0.1316","","","0.3236","0.3259","","","","","","1.061","","","","has coordinates","267710","2021-07-23","01:57:39",""
"1564242","9.66433","0.00013","12.43414","0.00015","28.761","0.0004","90","","90","","90","","3456.14","0.08","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 N2 O6 -","- C42 H38 N2 O6 -","- C168 H152 N8 O24 -","4","1","","Yang, Yang; Zhu, Bo; Zhu, Lei; Jiang, Ying; Guo, Chun-Ling; Gu, Jing; ouyang, qin; Du, Wei; Chen, Ying-Chun","Combining palladium and ammonium halide catalysts for Morita−Baylis−Hillman carbonates of methyl vinyl ketone: From 1,4-carbodipoles to ion pairs","Chemical Science","2021","","","","","10.1039/D1SC03517G","","x-ray","1.54184","CuKα","","0.0501","0.048","","","0.1242","0.1274","","","","","","1.037","","","","has coordinates","267710","2021-07-23","01:57:51",""
"1564248","10.7265","0.0002","15.4183","0.0003","16.9237","0.0003","90","","90","","90","","2798.92","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O6 -","- C31 H46 O6 -","- C124 H184 O24 -","4","1","","Guo, Yi; Huang, Fang; Sun, Weiguang; Zhou, Yuan; Chen, Chunmei; Qi, Changxing; Yang, Jing; Li, Xiao-Nian; Luo, Zengwei; Zhu, Hucheng; Wang, Xiaochuan; Zhang, Yonghui","Unprecedented Polycyclic Polyprenylated Acylphloroglucinols with Anti-Alzheimer’s Activity from St. John’s Wort","Chemical Science","2021","","","","","10.1039/D1SC03356E","","","1.54178","CuKα","","0.0316","0.0315","","","0.0791","0.0792","","","","","","1.107","","","","has coordinates","267761","2021-07-27","01:32:52",""
"1564263","20.07057","0.00012","20.40295","0.00011","41.1384","0.0002","90","","90","","90","","16846.1","0.16","99.8","0.8","99.8","0.8","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C168 H134 Cl5 N7 O16 Rh2 -","- C168 H134 Cl5 N7 O16 Rh2 -","- C672 H536 Cl20 N28 O64 Rh8 -","4","1","","Sharland, Jack C.; Wei, Bo; Hardee, David J.; Hodges, Timothy R.; Gong, Wei; Voight, Eric A.; Davies, Huw M. L.","Asymmetric synthesis of pharmaceutically relevant 1-aryl-2-heteroaryl- and 1,2-diheteroarylcyclopropane-1-carboxylates","Chemical Science","2021","","","","","10.1039/D1SC02474D","","x-ray","1.54184","CuKα","","0.0503","0.0483","","","0.1244","0.127","","","","","","1.028","","","","has coordinates,has disorder","267795","2021-07-29","01:52:07",""
"1564264","8.77283","0.00016","12.4768","0.0002","15.4124","0.0003","90","","90","","90","","1686.99","0.05","102","3","102","3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl N O3 -","- C18 H18 Cl N O3 -","- C72 H72 Cl4 N4 O12 -","4","1","","Sharland, Jack C.; Wei, Bo; Hardee, David J.; Hodges, Timothy R.; Gong, Wei; Voight, Eric A.; Davies, Huw M. L.","Asymmetric synthesis of pharmaceutically relevant 1-aryl-2-heteroaryl- and 1,2-diheteroarylcyclopropane-1-carboxylates","Chemical Science","2021","","","","","10.1039/D1SC02474D","","x-ray","0.71073","MoKα","","0.0281","0.0251","","","0.0632","0.0642","","","","","","1.0429","","","","has coordinates","267795","2021-07-29","01:52:16",""
"1564277","10.8233","0.0002","11.9161","0.0003","12.3076","0.0003","90","","90","","90","","1587.33","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Cl N2 O3 -","- C16 H21 Cl N2 O3 -","- C64 H84 Cl4 N8 O12 -","4","1","","Eagling, Louise; Leonard, Daniel J.; Schwarz, Maria; Urruzuno, Iñaki; Boden, Grace; Wailes, J. Steven; Ward, John W.; Clayden, Jonathan","‘Reverse biomimetic’ synthesis of l-arogenate and its stabilized analogues from l-tyrosine","Chemical Science","2021","","","","","10.1039/D1SC03554A","","","0.71073","MoKα","","0.0347","0.0298","","","0.0669","0.0691","","","","","","1.023","","","","has coordinates","267842","2021-07-31","01:52:41",""
"1564314","10.8083","0.0004","11.6866","0.0006","14.3467","0.0006","90","","90","","90","","1812.16","0.14","250","2","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 S -","- C20 H20 O4 S -","- C80 H80 O16 S4 -","4","1","","Zhu, Haiqian; Zheng, Hanliang; Zhang, Junhua; Feng, Jian; Kong, Lichun; Zhang, Fang; Xue, Xiao-Song; Zhu, Gangguo","Solvent-controlled photocatalytic divergent cyclization of alkynyl aldehydes: access to cyclopentenones and dihydropyranols","Chemical Science","2021","","","","","10.1039/D1SC03416B","","","0.71073","MoKα","","0.0374","0.0311","","","0.0874","0.0977","","","","","","1.151","","","","has coordinates","267888","2021-08-02","01:27:44",""
"1564362","9.4146","0.0013","11.9706","0.0017","13.702","0.002","90","","90","","90","","1544.2","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-\ 1,2,4-triazol-5-ylidene)rhodium(I)","","- C14 H23 Br0.16 Cl0.84 N3 Rh -","- C14 H23 Br0.154 Cl0.846 N3 Rh -","- C56 H92 Br0.616 Cl3.384 N12 Rh4 -","4","1","WM4151","Rushlow, Joshua; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","(Chlorido/bromido)[(1,2,5,6-η)-cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)rhodium(I)","IUCrData","2021","6","8","x210811","","10.1107/S2414314621008117","","","0.71073","MoKα","","0.0316","0.0265","","","0.0558","0.0574","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","268078","2021-08-14","02:14:20",""
"1564387","8.4602","0.0002","10.8079","0.0003","19.9865","0.0005","90","","90","","90","","1827.51","0.08","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4aa","(E)-3-(hex-2-en-1-yl)-4,5-diphenyl-3H-1,2,3-oxathiazole 2,2-dioxide","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Pham, Quoc Hoang; Tague, Andrew James; Richardson, Christopher; Hyland, Christopher James Timothy; Pyne, Stephen G.","The Pd-catalysed asymmetric allylic alkylation reactions of sulfamidate imines","Chemical Science","2021","","","","","10.1039/D1SC03268B","","x-ray","0.71073","MoKα","","0.0481","0.0365","","","0.0856","0.0906","","","","","","1.062","","","","has coordinates,has disorder","268164","2021-08-21","22:14:03",""
"1564390","10.0914","0.0004","10.2497","0.0004","18.7657","0.0007","90","","90","","90","","1941.01","0.13","293","1","293","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3aa","(E)-5-(hex-2-en-1-yl)-4,5-diphenyl-5H-1,2,3-oxathiazole-2,2-dioxide","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Pham, Quoc Hoang; Tague, Andrew James; Richardson, Christopher; Hyland, Christopher James Timothy; Pyne, Stephen G.","The Pd-catalysed asymmetric allylic alkylation reactions of sulfamidate imines","Chemical Science","2021","","","","","10.1039/D1SC03268B","","x-ray","0.71073","MoKα","","0.1078","0.0516","","","0.129","0.1548","","","","","","1.003","","","","has coordinates","268164","2021-08-21","22:14:04",""
"1564394","16.842","0.004","16.624","0.004","17.544","0.004","90","","90","","90","","4912","2","150.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H44 F6 Ir N6 P3 -","- C54 H44 F6 Ir N6 P3 -","- C216 H176 F24 Ir4 N24 P12 -","4","1","","Yan, Juchao; Wilson, Reid W.; Buck, Jason T.; Grills, David C.; Reinheimer, Eric W.; Mani, Tomoyasu","IR linewidth and intensity amplifications of nitrile vibrations report nuclear-electronic couplings and associated structural heterogeneity in radical anions","Chemical Science","2021","","","","","10.1039/D1SC03455C","","","0.7107","MoKa","","","0.0343","","","","0.0587","","","","","","1.025","","","","has coordinates","268186","2021-08-24","22:11:50",""
"1564407","13.739","0.003","14.248","0.003","23.065","0.004","90","","90","","90","","4515","1.6","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Ag5 I7 Mn N4 O2 S2 -","- C24 H16 Ag5 I7 Mn N4 O2 S2 -","- C96 H64 Ag20 I28 Mn4 N16 O8 S8 -","4","1","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.7107","MoKα","","0.0908","0.0654","","","0.1188","0.1283","","","","","","1.106","","","","has coordinates","268236","2021-08-26","07:47:52",""
"1564408","13.5654","0.0013","14.1363","0.0012","23.6271","0.0019","90","","90","","90","","4530.8","0.7","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Ag5 I7 Mn N6 O2 -","- C26 H29 Ag5 I7 Mn N6 O2 -","- C104 H116 Ag20 I28 Mn4 N24 O8 -","4","1","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.71075","MoKα","","0.0435","0.038","","","0.068","0.0704","","","","","","1.015","","","","has coordinates","268237","2021-08-26","07:49:08",""
"1564409","13.664","0.003","14.164","0.003","23.592","0.005","90","","90","","90","","4565.9","1.7","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Ag5 I7 N6 O2 Zn -","- C26 H24 Ag5 I7 N6 O2 Zn -","- C104 H96 Ag20 I28 N24 O8 Zn4 -","4","1","","Zheng, Wei; Gao, Yan; Chen, NianNian; Wu, Bing; Jia, Dingxian; Zhao, Shengxian","Syntheses, crystal structures, and optical properties of polymeric iodoargentates containing transition metal-complexes with aromatic ligands","Inorganica Chimica Acta","2020","510","","119762","","10.1016/j.ica.2020.119762","","","0.71073","MoKα","","0.0853","0.0667","","","0.1184","0.1245","","","","","","1.158","","","","has coordinates","268238","2021-08-26","07:51:03",""
"1564488","5.8137","0.0017","15.8848","0.0019","17.238","0.003","90","","90","","90","","1591.9","0.6","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 S -","- C16 H18 N2 O4 S -","- C64 H72 N8 O16 S4 -","4","1","","Banti, C.N.; Ketikidis, I.; Hadjikakou, S.K.; Hatzidimitriou, A.G.; Grześkiewicz, A.M.; Kubicki, M.; Hadjiliadis, N.","Study of penicillin degradation mechanism upon interaction with silver(I) ions","Inorganica Chimica Acta","2020","509","","119683","","10.1016/j.ica.2020.119683","","","0.71073","MoKα","","0.0955","0.0575","","0.12","0.1009","0.1009","","","","","","0.9997","","","","has coordinates","268328","2021-08-31","09:40:44",""
"1564532","9.2386","0.0002","11.0791","0.0002","26.7495","0.0006","90","","90","","90","","2737.96","0.1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 O10 -","- C29 H39 O10 -","- C116 H156 O40 -","4","1","","He, Juan; Ma, Rui; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai","Taccachatrones A-G, Highly Oxidized Steroids from the Rhizomes of <i>Tacca chantrierii</i> and Their Cytotoxicity Assessment.","Journal of natural products","2021","84","8","2265","2271","10.1021/acs.jnatprod.1c00342","","","1.54178","CuKα","","0.0417","0.0385","","","0.0943","0.0972","","","","","","1.062","","","","has coordinates","268453","2021-09-04","00:18:20",""
"1564535","8.0539","0.0001","15.7616","0.0003","26.6941","0.0005","90","","90","","90","","3388.61","0.1","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 O15 -","- C35 H48 O15 -","- C140 H192 O60 -","4","1","","Sun, Yunpeng; Li, Qiurong; Sun, Yujin; Cui, Letian; Wang, Yingying; Li, Yongyi; Luo, Jun; Kong, Lingyi","Limonoids with Diverse Oxidation Patterns of C-12 Indicating a Complete Ring C-<i>seco</i> Biogenetic Pathway from <i>Munronia unifoliolata</i>.","Journal of natural products","2021","84","8","2352","2365","10.1021/acs.jnatprod.1c00519","","","1.54178","CuKα","","0.0349","0.0321","","","0.0787","0.0809","","","","","","1.031","","","","has coordinates","268456","2021-09-04","00:19:33",""
"1564615","5.9247","0.0002","10.1052","0.0004","16.3411","0.0006","90","","90","","90","","978.35","0.06","110","","110","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O6 -","- C9 H12 O6 -","- C36 H48 O24 -","4","1","","Tran, David K.; Rashad, Ahmed Z.; Darensbourg, Donald J.; Wooley, Karen L.","Sustainable synthesis of CO2-derived polycarbonates from d-xylose","Polymer Chemistry","2021","12","37","5271","5278","10.1039/D1PY00784J","","","1.54178","CuKα","","0.0224","0.0222","","","0.0562","0.0565","","","","","","1.083","","","","has coordinates","269790","2021-10-06","16:22:04",""
"1564617","13.0137","0.0002","27.1723","0.0005","34.8441","0.0006","90","","90","","90","","12321.3","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C135 H110.5 B2 Cl8 F8 N10 O6 Pd -","- C135 H110.5 B2 Cl8 F8 N10 O6 Pd -","- C540 H442 B8 Cl32 F32 N40 O24 Pd4 -","4","1","","Sun, Qingqing; Escobar, Luis; de Jong, Jorn; Ballester, Pablo","Self-Assembly of a Water-Soluble Endohedrally Functionalized Coordination Cage Including Polar Guests","Chemical Science","2021","","","","","10.1039/D1SC03751J","","","0.71075","MoKα","","0.1069","0.0645","","","0.1593","0.1793","","","","","","1.028","","","","has coordinates,has disorder","269116","2021-09-13","22:15:29",""
"1564689","8.1297","0.0004","11.8232","0.0006","15.7213","0.0009","90","","90","","90","","1511.12","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,4<i>S</i>,5<i>S</i>)-5-Methoxy-4-methyl-3-oxohept-6-en-2-yl benzoate","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","HB4390","Schmidt, Ann-Christin; Iovkova, Lyuba; Hiersemann, Martin","(2<i>R</i>,4<i>S</i>,5<i>S</i>)-5-Methoxy-4-methyl-3-oxohept-6-en-2-yl benzoate","IUCrData","2021","6","9","x210951","","10.1107/S2414314621009512","","","1.54178","CuKα","","0.0234","0.0233","","","0.0601","0.0601","","","","","","1.066","","","","has coordinates,has Fobs","269206","2021-09-18","02:18:01",""
"1564696","6.1703","0.0003","7.5854","0.0005","28.631","0.0015","90","","90","","90","","1340.05","0.13","119.99","0.13","119.99","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H11 N S2 -","- C18 H11 N S2 -","- C72 H44 N4 S8 -","4","1","","Li, Mengke; Cai, Xinyi; Chen, Zijian; Liu, Kunkun; Qiu, Weidong; Xie, Wentao; Wang, Liangying; Su, Shi-Jian","Boosting Purely Organic Room-Temperature Phosphorescence Performance through Host-Guest Strategy","Chemical Science","2021","","","","","10.1039/D1SC03420K","","x-ray","1.54184","CuKα","","0.068","0.0641","","","0.171","0.1746","","","","","","1.062","","","","has coordinates","269218","2021-09-20","22:14:30",""
"1564720","17.3044","0.0001","18.1488","0.0001","22.2409","0.0001","90","","90","","90","","6984.85","0.06","150.01","0.11","150.01","0.11","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C71 H115 Ag Al N4 O P -","- C71 H115 Ag Al N4 O P -","- C284 H460 Ag4 Al4 N16 O4 P4 -","4","1","","Aldridge, Simon; McManus, Caitilín; Hicks, Jamie; Goicoechea, Jose M.; Cui, Xianlu; Zhao, Lili; Frenking, Gernot","Coinage metal aluminyl complexes: probing regiochemistry and mechanism in the insertion and reduction of carbon dioxide","Chemical Science","2021","","","","","10.1039/D1SC04676D","","x-ray","1.54184","CuKα","","0.0322","0.0308","","","0.08","0.0813","","","","","","1.043","","","","has coordinates,has disorder","269266","2021-09-23","22:23:23",""
"1564737","9.194","0.0002","10.523","0.0003","15.2153","0.0004","90","","90","","90","","1472.06","0.07","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 S -","- C14 H21 N O3 S -","- C56 H84 N4 O12 S4 -","4","1","","Jin, Shengfei; Haug, Graham C.; Trevino, Ramon; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.","Photoinduced C(sp3)‒H Sulfination Empowers a Direct and Chemoselective Introduction of the Sulfonyl Group","Chemical Science","2021","","","","","10.1039/D1SC04245A","","x-ray","0.71073","MoKα","","0.0345","0.0333","","","0.0779","0.0786","","","","","","1.059","","","","has coordinates","269349","2021-09-28","22:25:33",""
"1564744","11.8811","0.0005","12.9777","0.0003","21.7852","0.0006","90","","90","","90","","3359.05","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 N3 Ni P2 S2 -","- C36 H29 N3 Ni P2 S2 -","- C144 H116 N12 Ni4 P8 S8 -","4","1","","Mou, Wen-Yu; Li, Tao; Xie, Bin; Zhang, Dong-Liang; Lai, Chuan; Deng, Cheng-Long; Cao, Jia-Xi; Bai, Xiao-Xue; Liu, Xiao-Qiang","Neutral heteroleptic nickel complexes incorporating maleonitriledithiolate and bis(diphenylphosphanyl)amine as robust molecular electrocatalysts for hydrogen evolution","Inorganica Chimica Acta","2020","507","","119587","","10.1016/j.ica.2020.119587","","","1.54184","CuKα","","0.0543","0.0489","","","0.1261","0.1338","","","","","","1.035","","","","has coordinates","269364","2021-09-29","07:47:40",""
"1564782","7.299","0.0001","10.9971","0.0001","28.3111","0.0003","90","","90","","90","","2272.47","0.04","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 O3 -","- C28 H22 O3 -","- C112 H88 O12 -","4","1","","Zhou, Han-Qi; Gu, Xing-Wei; Zhou, Xiao-Hua; Li, Li; Ye, Fei; Yin, Guan-Wu; Xu, Zheng; Xu, Li-Wen","Enantioselective palladium-catalyzed C(sp2)‒C(sp2) σ bond activation of cyclopropenones by merging desymmetrization and (3 + 2) spiroannulation with cyclic 1,3-diketones","Chemical Science","2021","","","","","10.1039/D1SC04558J","","","1.54178","CuKα","","0.04","0.0396","","","0.1107","0.1113","","","","","","1.06","","","","has coordinates","269406","2021-09-30","22:18:00",""
"1564831","10.7071","0.0007","19.5593","0.0008","22.8987","0.0011","90","","90","","90","","4795.5","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H74 N2 O2 -","- C54 H74 N2 O2 -","- C216 H296 N8 O8 -","4","1","","Klementyeva, S.V.; Abramov, P.A.; Somov, N.V.; Dudkina, Yu.B.; Budnikova, Yu.H.; sky, A.I.","Deprotonation of Benzoxazolium Salt: Trapping of a Radical-Cation Intermediate","Organic Letters","2019","21","4","946","950","10.1021/acs.orglett.8b03928","","","0.71073","MoKα","","0.1822","0.0711","","","0.1016","0.1332","","","","","","0.803","","","","has coordinates","269586","2021-10-05","10:48:21",""
"1564909","5.4891","0.0001","10.9586","0.0003","24.8426","0.0006","90","","90","","90","","1494.35","0.06","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Bermesheva, Evgeniya V.; Nazarov, Ivan V.; Kataranova, Ksenia D.; Khrychikova, Anna P.; Zarezin, Danil P.; Melnikova, Elizaveta K.; Asachenko, Andrey F.; Topchiy, Maxim A.; Rzhevskiy, Sergey A.; Bermeshev, Maxim V.","Cocatalyst versus precatalyst impact on the vinyl-addition polymerization of norbornenes with polar groups: looking at the other side of the coin","Polymer Chemistry","2021","12","43","6355","6362","10.1039/D1PY01039E","","","1.54178","CuKα","","0.0286","0.0278","","","0.0693","0.0699","","","","","","1.059","","","","has coordinates","271234","2021-12-07","04:02:00",""
"1564936","9.0805","0.0009","10.1637","0.001","23.374","0.002","90","","90","","90","","2157.2","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C108 H92 N12 O8 -","4","1","","Dey, Sunanda; Paul, Sukanya; Debsharma, Kingshuk; Sinha, Chittaranjan","A highly emissive Zn(II)-pyridyl-benzimidazolyl-phenolato-based chemosensor: detection of H<sub>2</sub>PO<sub>4</sub><sup>-</sup><i>via</i> ""use"" and ""throw"" device fabrication.","Analytical methods : advancing methods and applications","2021","13","44","5282","5292","10.1039/d1ay01575c","","","0.71073","MoKα","","0.1373","0.1007","","","0.1796","0.1951","","","","","","1.118","","","","has coordinates","271149","2021-12-07","02:19:08",""
"1564941","8.2902","0.0001","12.9328","0.0001","29.8623","0.0002","90","","90","","90","","3201.7","0.05","170.01","0.18","170.01","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H32 N4 O -","- C43 H32 N4 O -","- C172 H128 N16 O4 -","4","1","","Zhang, Da-Wei; Teng, Jin-Ming; Wang, Yin-Feng; Han, Xiao-Ni; Li, Meng; Chen, Chuan-Feng","D-π*-A type planar chiral TADF materials for efficient circularly polarized electroluminescence.","Materials horizons","2021","8","12","3417","3423","10.1039/d1mh01404h","","x-ray","1.54184","CuKα","","0.0323","0.0316","","","0.081","0.0817","","","","","","1.031","","","","has coordinates","271238","2021-12-07","04:04:02",""
"1565013","7.2165","0.0002","12.5371","0.0004","16.4763","0.0006","90","","90","","90","","1490.68","0.08","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-(1-(benzo[b]thiophen-5-yl)ethyl)morpholin-4-ium chloride","","- C15 H20 Cl N O S -","- C15 H20 Cl N O S -","- C60 H80 Cl4 N4 O4 S4 -","4","1","","Kremsmair, Alexander; Wilke, Henrik R.; Simon, Matthias M.; Schmidt, Quirin; Karaghiosoff, Konstantin; Knochel, Paul","General stereoretentive preparation of chiral secondary mixed alkylmagnesium reagents and their use for enantioselective electrophilic aminations.","Chemical science","2021","13","1","44","49","10.1039/d1sc05315a","","","0.71073","MoKα","","0.047","0.0382","","","0.0823","0.0862","","","","","","1.058","","","","has coordinates","272562","2022-02-04","19:05:23",""
"1565017","17.3657","0.0005","17.4514","0.0005","39.6637","0.0011","90","","90","","90","","12020.3","0.6","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C122.08 H165.06 B6 N8 Si4 -","- C122 H166 B6 N8 Si4 -","- C488 H664 B24 N32 Si16 -","4","1","","Tian, Miao; Zhang, Jianying; Guo, Lulu; Cui, Chunming","Isolation of a Planar 1,2-Dilithio-disilene and Its Conversion to Si−B Hybrid 2π-Electron System and a Planar Tetraboryldisilene","Chemical Science","2021","","","","","10.1039/D1SC05125C","","x-ray","0.71073","MoKα","","0.1088","0.0668","","","0.1168","0.1348","","","","","","1.039","","","","has coordinates,has disorder","270032","2021-10-19","22:27:40",""
"1565038","10.2605","0.0002","15.2842","0.0003","26.1552","0.0005","90","","90","","90","","4101.75","0.14","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 F8 Mn N6 O6 S2 -","- C36 H43.9999 F8 Mn N6 O6 S2 -","- C144 H176 F32 Mn4 N24 O24 S8 -","4","1","","Masferrer-Rius, Eduard; Li, Fanshi; Lutz, Martin; Klein Gebbink, Robertus J. M.","Exploration of highly electron-rich manganese complexes in enantioselective oxidation catalysis; a focus on enantioselective benzylic oxidation","Catalysis Science & Technology","2021","11","23","7751","7763","10.1039/D1CY01642C","","","0.71073","MoKα","","0.0461","0.038","","","0.0988","0.1031","","","","","","1.045","","","","has coordinates,has disorder","271152","2021-12-07","02:21:05",""
"1565039","10.2594","0.0003","15.1887","0.0004","25.5178","0.0005","90","","90","","90","","3976.36","0.17","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 F6 Fe N6 O7 S2 -","- C34 H48 F6 Fe N6 O7 S2 -","- C136 H192 F24 Fe4 N24 O28 S8 -","4","1","","Masferrer-Rius, Eduard; Li, Fanshi; Lutz, Martin; Klein Gebbink, Robertus J. M.","Exploration of highly electron-rich manganese complexes in enantioselective oxidation catalysis; a focus on enantioselective benzylic oxidation","Catalysis Science & Technology","2021","11","23","7751","7763","10.1039/D1CY01642C","","","0.71073","MoKα","","0.0541","0.0397","","","0.0931","0.0981","","","","","","1.059","","","","has coordinates,has disorder","271152","2021-12-07","02:21:05",""
"1565045","5.5094","0.0002","14.3271","0.0004","19.9017","0.0006","90","","90","","90","","1570.92","0.09","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1c","1-(6-(4-chlorophenyl)-2,3-dihydro-4H-1,4-oxazin-4-yl)-2-phenylethan-1-one","","- C18 H15 Cl N O3 -","- C18 H15 Cl N O3 -","- C72 H60 Cl4 N4 O12 -","4","1","","Li, Mingxu; Zhang, Jian; Zou, Yashi; Zhou, Fengfan; Zhang, Zhenfeng; Zhang, Wanbin","Asymmetric Hydrogenation for the Synthesis of 2-Substituted Chiral Morpholines","Chemical Science","2021","","","","","10.1039/D1SC04288B","","","1.54178","CuKα","","0.0386","0.0345","","","0.0955","0.0996","","","","","","1.04","","","","has coordinates","270104","2021-10-28","22:25:23",""
"1565107","9.2225","0.0002","15.1104","0.0003","18.1484","0.0004","90","","90","","90","","2529.08","0.09","111","15","111","15","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O5 S -","- C25 H32 N2 O5 S -","- C100 H128 N8 O20 S4 -","4","1","","Mukherjee, Kallol; Grimblat, Nicolas; Sau, Somratan; Ghosh, Koushik; Shankar, Majji; Gandon, Vincent; Sahoo, Akhila K.","Kinetic resolution of sulfur-stereogenic sulfoximines by Pd(ii)–MPAA catalyzed C–H arylation and olefination","Chemical Science","2021","","","","","10.1039/D1SC04299H","","x-ray","0.71073","MoKα","","0.0313","0.0298","","","0.0741","0.0749","","","","","","1.0345","","","","has coordinates","270274","2021-11-03","23:17:19",""
"1565108","9.243","0.0002","10.9509","0.0003","13.4319","0.0004","90","","90","","90","","1359.57","0.06","150","2","150.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Li-Bin, Lin; Xiao, Jian; Zhang, Qiang; Han, Rui; Xu, Biao; Yang, Sheng-Xiang; Han, Wen-Bo; Tang, Jiang-Jiang; Gao, Jin-Ming","Eremophilane Sesquiterpenoids with Antibacterial and Anti-inflammatory Activities from the Endophytic Fungus <i>Septoria rudbeckiae</i>.","Journal of agricultural and food chemistry","2021","69","40","11878","11889","10.1021/acs.jafc.1c04131","","","1.54184","CuKα","","0.0417","0.0358","","","0.0765","0.0791","","","","","","1.118","","","","has coordinates","270279","2021-11-04","00:07:10",""
"1565110","10.4368","0.0008","15.0153","0.0013","15.8342","0.0011","90","","90","","90","","2481.4","0.3","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O11 -","- C26 H32 O11 -","- C104 H128 O44 -","4","1","","Huang, Zhong-Hui; Liang, Xiao; Li, Chan-Juan; Gu, Qiong; Ma, Xuan; Qi, Shu-Hua","Talaromynoids A-I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus <i>Talaromyces purpureogenus</i> SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities.","Journal of natural products","2021","84","10","2727","2737","10.1021/acs.jnatprod.1c00681","","x-ray","1.54184","CuKα","","0.0843","0.0574","","","0.1314","0.1458","","","","","","1.041","","","","has coordinates","270281","2021-11-04","00:34:41",""
"1565112","12.2213","0.0003","13.16","0.0003","16.3151","0.0003","90","","90","","90","","2624","0.1","99.9","0.7","99.9","0.7","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 O11 -","- C27 H36 O11 -","- C108 H144 O44 -","4","1","","Huang, Zhong-Hui; Liang, Xiao; Li, Chan-Juan; Gu, Qiong; Ma, Xuan; Qi, Shu-Hua","Talaromynoids A-I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus <i>Talaromyces purpureogenus</i> SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities.","Journal of natural products","2021","84","10","2727","2737","10.1021/acs.jnatprod.1c00681","","x-ray","1.54184","CuKα","","0.0595","0.047","","","0.1156","0.1237","","","","","","1.054","","","","has coordinates","270283","2021-11-04","00:35:29",""
"1565175","8.954","0.0002","14.9196","0.0003","16.042","0.0003","90","","90","","90","","2143.05","0.08","150","","150","","","","100","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","","Dimer 2d","","- C20 H25 Cl N8 O2 -","- C20 H25 Cl N8 O2 -","- C80 H100 Cl4 N32 O8 -","4","1","","Warnock, Toyah M. C.; Rajkumar, Sundaram; Fitzpatrick, Matthew; Serpell, Christopher J.; Dingwall, Paul; Knipe, Peter Clarke","Chiral, Sequence-Definable Foldamer-Derived Macrocycles","Chemical Science","2021","","","","","10.1039/D1SC05021D","","","1.5418","CuKα","","0.0381","0.0361","","0.0429","0.0423","0.0429","","","","","","1.871","","","","has coordinates","270581","2021-11-10","23:14:01",""
"1565180","8.543","0.0007","9.4062","0.0007","20.558","0.0018","90","","90","","90","","1652","0.2","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br N -","- C21 H18 Br N -","- C84 H72 Br4 N4 -","4","1","","Rodríguez-Salamanca, Patricia; Martín de la Calle , Rocío; Rodríguez, Veronica; Merino, Pedro; Fernández, Rosario; Lassaletta, Jose M.; Hornillos, Valentín","Asymmetric Synthesis of Dibenzo[b,d]azepines by Cu-Catalyzed Reductive or Borylative Cyclization","Chemical Science","2021","","","","","10.1039/D1SC04980A","","","0.71073","MoKα","","0.0553","0.0383","","","0.0756","0.0805","","","","","","1.013","","","","has coordinates","270583","2021-11-10","23:15:34",""
"1565181","8.515","0.0002","9.3931","0.0003","20.065","0.0007","90","","90","","90","","1604.84","0.08","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Cl N -","- C21 H18 Cl N -","- C84 H72 Cl4 N4 -","4","1","","Rodríguez-Salamanca, Patricia; Martín de la Calle , Rocío; Rodríguez, Veronica; Merino, Pedro; Fernández, Rosario; Lassaletta, Jose M.; Hornillos, Valentín","Asymmetric Synthesis of Dibenzo[b,d]azepines by Cu-Catalyzed Reductive or Borylative Cyclization","Chemical Science","2021","","","","","10.1039/D1SC04980A","","","0.71073","MoKα","","0.0587","0.043","","","0.0938","0.1043","","","","","","1.063","","","","has coordinates","270583","2021-11-10","23:15:35",""
"1565223","10.559","0.0002","11.094","0.0002","15.2071","0.0002","90","","90","","90","","1781.38","0.05","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl In N2 S2 -","- C12 H28 Cl In N2 S2 -","- C48 H112 Cl4 In4 N8 S8 -","4","1","","Park, Joo-Hyun; Chung, Taek-Mo; Park, Bo Keun; Kim, Chang Gyoun","Indium complexes with aminothiolate ligands as single precursors for indium chalcogenides","Inorganica Chimica Acta","2020","505","","119504","","10.1016/j.ica.2020.119504","","","0.71073","MoKα","","0.0127","0.0126","","","0.0312","0.0312","","","","","","1.084","","","","has coordinates","270656","2021-11-15","10:18:23",""
"1565244","28.219","0.006","17.75","0.004","7.68","0.0016","90","","90","","90","","3846.8","1.4","100","2","100.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O2 Pt S4 -","- C30 H28 N2 O2 Pt S4 -","- C120 H112 N8 O8 Pt4 S16 -","4","1","","Ajibade, Peter A.; Fatokun, Amos A.; Andrew, Fartisincha P.","Synthesis, characterization and anti-cancer studies of Mn(II), Cu(II), Zn(II) and Pt(II) dithiocarbamate complexes - crystal structures of the Cu(II) and Pt(II) complexes","Inorganica Chimica Acta","2020","504","","119431","","10.1016/j.ica.2020.119431","","x-ray","0.71073","MoKα","","0.0655","0.0613","","","0.1487","0.1514","","","","","","1.035","","","","has coordinates","270680","2021-11-16","09:38:02",""
"1565251","9.3352","0.0002","11.6054","0.0003","24.7715","0.0007","90","","90","","90","","2683.71","0.12","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H22 Ag F3 N2 O3 S -","- C31 H22 Ag F3 N2 O3 S -","- C124 H88 Ag4 F12 N8 O12 S4 -","4","1","","Bolotin, Dmitrii S.; Soldatova, Natalia S.; Demakova, Marina Ya.; Novikov, Alexander S.; Ivanov, Daniil M.; Aliyarova, Irina S.; Sapegin, Alexander; Krasavin, Mikhail","Pentacoordinated silver(I) complex featuring 8-phenylquinoline ligands: Interplay of coordination bonds, semicoordination, and stacking interactions","Inorganica Chimica Acta","2020","504","","119453","","10.1016/j.ica.2020.119453","","","0.71073","MoKα","","0.0268","0.0231","","","0.0462","0.0474","","","","","","1.031","","","","has coordinates","270686","2021-11-16","10:01:41",""
"1565323","10.8047","0.0005","16.2516","0.0008","26.0237","0.001","90","","90","","90","","4569.6","0.4","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-CzACN","","- C59 H42 N4 O4 -","- C59 H42 N4 O4 -","- C236 H168 N16 O16 -","4","1","","Xu, Bingjia; Song, Zicun; Zhang, Minmin; Zhang, Qingqing; Jiang, Long; Xu, Chao; Zhong, Lijun; Su, Changlin; Ban, Qiqi; Liu, Cong; Sun, Fengqiang; Zhang, Yi; Chi, Zhenguo; Zhao, Zujin; Shi, Guang","Controlling the Thermally Activated Delayed Fluorescence of Axially Chiral Organic Emitters and Their Racemate for Information Encryption","Chemical Science","2021","","","","","10.1039/D1SC04738H","","x-ray","1.54184","CuKα","","0.1237","0.0688","","","0.1453","0.1894","","","","","","0.935","","","","has coordinates","270750","2021-11-18","23:14:08",""
"1565325","10.9114","0.0003","16.32","0.0005","26.1644","0.0009","90","","90","","90","","4659.2","0.2","293.3","0.4","293.3","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-CzACN-SCer","","- C59 H42 N4 O4 -","- C59 H42 N4 O4 -","- C236 H168 N16 O16 -","4","1","","Xu, Bingjia; Song, Zicun; Zhang, Minmin; Zhang, Qingqing; Jiang, Long; Xu, Chao; Zhong, Lijun; Su, Changlin; Ban, Qiqi; Liu, Cong; Sun, Fengqiang; Zhang, Yi; Chi, Zhenguo; Zhao, Zujin; Shi, Guang","Controlling the Thermally Activated Delayed Fluorescence of Axially Chiral Organic Emitters and Their Racemate for Information Encryption","Chemical Science","2021","","","","","10.1039/D1SC04738H","","x-ray","1.54184","CuKα","","0.0793","0.0624","","","0.1539","0.1758","","","","","","1.055","","","","has coordinates","270750","2021-11-18","23:14:14",""
"1565339","7.5303","0.0001","8.6955","0.0001","39.2876","0.0003","90","","90","","90","","2572.54","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 Br N O2 -","- C29 H28 Br N O2 -","- C116 H112 Br4 N4 O8 -","4","1","","Shen, Chong; Cheng, Xiang; Wei, Liang; Wang, Ruo-Qing; Wang, Chun-Jiang","Stereodivergent Synthesis via Iridium-Catalyzed Asymmetric Double Allylic Alkylation of Cyanoacetate","Chemical Science","2021","","","","","10.1039/D1SC06115A","","x-ray","1.54184","CuKα","","0.0286","0.0279","","","0.0727","0.0731","","","","","","1.056","","","","has coordinates","270790","2021-11-20","23:12:23",""
"1565435","8.8561","0.0004","11.069","0.0004","19.8591","0.0009","90","","90","","90","","1946.75","0.14","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Bi Cl Fe N -","- C20 H23 Bi Cl Fe N -","- C80 H92 Bi4 Cl4 Fe4 N4 -","4","1","","Villamizar C., Claudia P.; Anzaldo, Bertin; Sharma, Pankaj; Gutiérrez Pérez, Rene; del Río-Portilla, Federico; Toscano, Alfredo R.","Chiral Ferrocenyl-Bismuthines containing N/O donor pendant arm: Syntheses and molecular structures","Inorganica Chimica Acta","2020","502","","119353","","10.1016/j.ica.2019.119353","","","0.71073","MoKα","","0.1112","0.0657","","","0.1598","0.1829","","","","","","1.043","","","","has coordinates","270928","2021-11-30","09:03:07",""
"1565444","11.1997","0.0013","11.2438","0.0014","36.788","0.005","90","","90","","90","","4632.6","1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H130 Cu4 N16 O25 -","- C80 H130 Cu4 N16 O25 -","- C160 H260 Cu8 N32 O50 -","2","0.5","","Zhao, Fang-Hua; Li, Zhong-Lin; He, Yuan-Chun; Zhang, Mei; Han, Jun; Fan, Sheng-Qing; Li, Yu-Shuo; You, Jin-Mao","Syntheses, structures and magnetism of two Cu(II) coordination polymers of d-camphorate controlled by metal-ligand ratio","Inorganica Chimica Acta","2020","502","","119387","","10.1016/j.ica.2019.119387","","","0.71073","MoKα","","0.1003","0.0655","","","0.1595","0.1742","","","","","","1.052","","","","has coordinates,has disorder","270936","2021-11-30","09:57:28",""
"1565488","10.0784","0.0003","11.7543","0.0003","30.5885","0.0007","90","","90","","90","","3623.65","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H44 N2 O P2 -","- C43 H44 N2 O P2 -","- C172 H176 N8 O4 P8 -","4","1","","Chakrabortty, Soumyadeep; Konieczny, Katharina; Müller, Bernd H.; Spannenberg, Anke; Kamer, Paul C. J.; de Vries, Johannes G.","Betti base derived P-stereogenic phosphine-diamidophosphite ligands with a single atom spacer and their application in asymmetric catalysis","Catalysis Science & Technology","2022","12","5","1392","1399","10.1039/D1CY02017J","","","1.54178","CuKα","","0.0247","0.0246","","","0.0645","0.0646","","","","","","1.058","","","","has coordinates","274938","2022-05-05","20:17:57",""
"1565502","8.6129","0.0002","15.0784","0.0005","17.2106","0.0005","90","","90","","90","","2235.12","0.11","99.9","0.9","99.9","0.9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C92 H112 O24 -","4","1","","Wu, Xiao-Zhen; Huang, Wen-Jun; Liu, Wei; Mándi, Attila; Zhang, Qingbo; Zhang, Liping; Zhang, Wenjun; Kurtán, Tibor; Yuan, Cheng-Shan; Zhang, Changsheng","Penicisteckins A-F, Isochroman-Derived Atropisomeric Dimers from <i>Penicillium steckii</i> HNNU-5B18.","Journal of natural products","2021","84","11","2953","2960","10.1021/acs.jnatprod.1c00787","","x-ray","1.54184","CuKα","","0.0539","0.0468","","","0.1271","0.1311","","","","","","1.063","","","","has coordinates","271078","2021-12-04","01:24:32",""
"1565511","6.1966","0.0002","14.5187","0.0006","20.0035","0.0008","90","","90","","90","","1799.65","0.12","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.0378","0.0328","","","0.0793","0.0816","","","","","","1.028","","","","has coordinates","271089","2021-12-04","01:29:42",""
"1565512","6.4145","0.0002","13.3715","0.0003","20.4357","0.0005","90","","90","","90","","1752.8","0.08","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min","Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.","Journal of natural products","2021","84","11","2971","2980","10.1021/acs.jnatprod.1c00804","","","1.54178","CuKα","","0.0344","0.0319","","","0.0803","0.0821","","","","","","1.056","","","","has coordinates","271090","2021-12-04","01:30:09",""
"1565514","7.1557","0.0002","13.7018","0.0003","27.177","0.0007","90","","90","","90","","2664.6","0.12","105.9","0.5","105.9","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O9 -","- C29 H46 O9 -","- C116 H184 O36 -","4","1","","Cheng, Xia; Liang, Xiao; Yao, Fei-Hua; Liu, Xiao-Bo; Qi, Shu-Hua","Fusidane-Type Antibiotics from the Marine-Derived Fungus <i>Simplicillium</i> sp. SCSIO 41513.","Journal of natural products","2021","84","11","2945","2952","10.1021/acs.jnatprod.1c00776","","x-ray","1.54184","CuKα","","0.0505","0.0485","","","0.1323","0.1338","","","","","","1.059","","","","has coordinates","271092","2021-12-04","01:30:55",""
"1565517","6.8672","0.0001","11.9218","0.0001","20.574","0.0002","90","","90","","90","","1684.38","0.03","100","0.11","100","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Shen, Qiyao; Dai, Guangzhi; Li, Aiying; Liu, Yang; Zhong, Guannan; Li, Xiaoju; Ren, Xiangmei; Sui, Haiyan; Fu, Jun; Jiao, Nianzhi; Zhang, Youming; Bian, Xiaoying; Zhou, Haibo","Genome-Guided Discovery of Highly Oxygenated Aromatic Polyketides, Saccharothrixins D-M, from the Rare Marine Actinomycete <i>Saccharothrix</i> sp. D09.","Journal of natural products","2021","84","11","2875","2884","10.1021/acs.jnatprod.1c00617","","x-ray","1.54184","CuKα","","0.0337","0.0327","","","0.0869","0.0876","","","","","","1.096","","","","has coordinates","271095","2021-12-04","01:32:15",""
"1565518","9.1402","0.0002","11.4665","0.0002","16.076","0.0003","90","","90","","90","","1684.86","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O8 -","- C19 H20 O8 -","- C76 H80 O32 -","4","1","","Shen, Qiyao; Dai, Guangzhi; Li, Aiying; Liu, Yang; Zhong, Guannan; Li, Xiaoju; Ren, Xiangmei; Sui, Haiyan; Fu, Jun; Jiao, Nianzhi; Zhang, Youming; Bian, Xiaoying; Zhou, Haibo","Genome-Guided Discovery of Highly Oxygenated Aromatic Polyketides, Saccharothrixins D-M, from the Rare Marine Actinomycete <i>Saccharothrix</i> sp. D09.","Journal of natural products","2021","84","11","2875","2884","10.1021/acs.jnatprod.1c00617","","x-ray","1.54184","CuKα","","0.0409","0.0358","","","0.086","0.0888","","","","","","1.038","","","","has coordinates","271096","2021-12-04","01:32:34",""
"1565519","6.8062","0.0006","11.6371","0.001","19.7825","0.0017","90","","90","","90","","1566.9","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","AT2911_A_LT","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Saepua, Siriporn; Kornsakulkarn, Jittra; Choowong, Wilunda; Suriyachadkun, Chanwit; Boonlarppradab, Chollaratt; Thongpanchang, Chawanee","Antimicrobial and Cytotoxic Angucyclic Quinones from <i>Actinomadura miaoliensis</i>.","Journal of natural products","2021","84","11","2775","2785","10.1021/acs.jnatprod.1c00232","","x-ray","1.54178","CuKα","K-L~3~","0.0254","0.0254","","","0.0648","0.0648","","","","","","1.051","","","","has coordinates","271097","2021-12-04","01:32:55",""
"1565520","7.9241","0.0006","9.6917","0.0006","20.1875","0.0015","90","","90","","90","","1550.36","0.19","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","AT2911_B6","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Saepua, Siriporn; Kornsakulkarn, Jittra; Choowong, Wilunda; Suriyachadkun, Chanwit; Boonlarppradab, Chollaratt; Thongpanchang, Chawanee","Antimicrobial and Cytotoxic Angucyclic Quinones from <i>Actinomadura miaoliensis</i>.","Journal of natural products","2021","84","11","2775","2785","10.1021/acs.jnatprod.1c00232","","x-ray","1.54178","CuKα","K-L~3~","0.0346","0.0305","","","0.0721","0.0742","","","","","","1.053","","","","has coordinates","271098","2021-12-04","01:33:16",""
"1565539","8.6876","0.0005","14.9527","0.0009","15.8867","0.0009","90","","90","","90","","2063.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C88 H72 Cd4 N16 O16 -","4","1","","Khullar, Sadhika; Thakur, Smriti; Mandal, Sanjay K.","Synthesis and structural characterization of Zn(II) and Cd(II) ion directed coordination networks and their template-free fabrication to metal oxide nanomaterials","Inorganica Chimica Acta","2020","502","","119281","","10.1016/j.ica.2019.119281","","","0.71073","MoKα","","0.0293","0.0275","","","0.0623","0.0635","","","","","","1.003","","","","has coordinates","271124","2021-12-06","08:26:49",""
"1565549","11.356","0.002","11.59","0.002","13.632","0.003","90","","90","","90","","1794.2","0.6","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mer-CrCl3(4-Me-pzH)","","- C12 H18 Cl3 Cr N6 -","- C12 H18 Cl3 Cr N6 -","- C48 H72 Cl12 Cr4 N24 -","4","1","","López Plá, Jessica M.; Boudalis, Athanassios K.; Telser, Joshua; Raptis, Raphael G.","Chromium(III)-pyrazole complexes. X-Ray crystal structures, 1H NMR investigation of ligand fluxional behavior and EPR studies","Inorganica Chimica Acta","2020","502","","119299","","10.1016/j.ica.2019.119299","","","0.71073","MoKα","","0.0678","0.0428","","","0.0814","0.0894","","","","","","1.028","","","","has coordinates","271126","2021-12-06","08:59:54",""
"1565566","10.1505","0.0002","19.0261","0.0009","11.5778","0.0004","90","","90","","90","","2235.96","0.14","300.28","0.15","300.28","0.15","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 Br F3 N2 -","- C27 H18 Br F3 N2 -","- C108 H72 Br4 F12 N8 -","4","1","","Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui","Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.","Chemical science","2021","13","1","170","177","10.1039/d1sc05174a","","x-ray","1.54184","CuKα","","0.0832","0.0748","","","0.2167","0.2233","","","","","","1.111","","","","has coordinates","276603","2022-07-06","07:59:35",""
"1565567","10.311","0.0002","12.3464","0.0002","34.9989","0.0007","90","","90","","90","","4455.49","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F4 N2 O -","- C25 H22 F4 N2 O -","- C200 H176 F32 N16 O8 -","8","2","","Zhu, Wen-Run; Su, Qiong; Deng, Xiao-Yi; Liu, Jia-Sheng; Zhong, Tao; Meng, Shan-Shui; Yi, Ji-Tao; Weng, Jiang; Lu, Gui","Organocatalytic enantioselective S<sub>N</sub>1-type dehydrative nucleophilic substitution: access to bis(indolyl)methanes bearing quaternary carbon stereocenters.","Chemical science","2021","13","1","170","177","10.1039/d1sc05174a","","x-ray","1.54184","CuKα","","0.0718","0.0517","","","0.12","0.1343","","","","","","1.051","","","","has coordinates","276603","2022-07-06","07:59:46",""
"1565637","10.2819","0.0003","15.8749","0.0004","39.0934","0.0015","90","","90","","90","","6381","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 N3 Ni O2 P -","- C36 H34 N3 Ni O2 P -","- C288 H272 N24 Ni8 O16 P8 -","8","2","","Layek, Samaresh; Agrahari, Bhumika; Kumar, Akash; Dege, Necmi; Pathak, Devendra D.","Synthesis and X-ray crystal structures of three new nickel(II) complexes of benzoylhydrazones: Catalytic applications in the synthesis of 2-arylbenzoxazoles","Inorganica Chimica Acta","2020","500","","119222","","10.1016/j.ica.2019.119222","","","0.71073","MoKα","","0.0816","0.0524","","","0.1159","0.1271","","","","","","0.927","","","","has coordinates","274176","2022-03-31","10:10:31",""
"1565721","8.9967","0.0007","12.7415","0.0007","13.8223","0.0011","90","","90","","90","","1584.5","0.2","150","0.1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br2 N2 Zn -","- C14 H16 Br2 N2 Zn -","- C56 H64 Br8 N8 Zn4 -","4","1","","Large, Benjamin; Meddeb, Maissa; Pucheta, José Enrique Herbert; Gaucher, Anne; Cordier, Marie; Gosmini, Corinne; Farjon, Jonathan; Auffrant, Audrey; Prim, Damien","Deciphering preferred geometries of pyridylmethylamines-based complexes: A robust strategy combining NMR, DFT and X-ray","Inorganica Chimica Acta","2019","498","","119070","","10.1016/j.ica.2019.119070","","","0.71069","MoKα","","0.065","0.0374","","","0.0633","0.0719","","","","","","0.931","","","","has coordinates","271381","2021-12-14","08:43:47",""
"1565722","9.0139","0.0008","12.7646","0.001","13.8","0.0011","90","","90","","90","","1587.8","0.2","150","0.1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br2 N2 Zn -","- C14 H16 Br2 N2 Zn -","- C56 H64 Br8 N8 Zn4 -","4","1","","Large, Benjamin; Meddeb, Maissa; Pucheta, José Enrique Herbert; Gaucher, Anne; Cordier, Marie; Gosmini, Corinne; Farjon, Jonathan; Auffrant, Audrey; Prim, Damien","Deciphering preferred geometries of pyridylmethylamines-based complexes: A robust strategy combining NMR, DFT and X-ray","Inorganica Chimica Acta","2019","498","","119070","","10.1016/j.ica.2019.119070","","","0.71069","MoKα","","0.0722","0.0503","","","0.0807","0.0859","","","","","","0.967","","","","has coordinates","271381","2021-12-14","08:43:54",""
"1565723","9.03","0.001","12.771","0.001","13.805","0.001","90","","90","","90","","1592","0.2","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br2 Co N2 -","- C14 H16 Br2 Co N2 -","- C56 H64 Br8 Co4 N8 -","4","1","","Large, Benjamin; Meddeb, Maissa; Pucheta, José Enrique Herbert; Gaucher, Anne; Cordier, Marie; Gosmini, Corinne; Farjon, Jonathan; Auffrant, Audrey; Prim, Damien","Deciphering preferred geometries of pyridylmethylamines-based complexes: A robust strategy combining NMR, DFT and X-ray","Inorganica Chimica Acta","2019","498","","119070","","10.1016/j.ica.2019.119070","","","0.71069","MoKα","","0.0266","0.0235","","","0.0504","0.052","","","","","","1.074","","","","has coordinates","271381","2021-12-14","08:44:09",""
"1565724","8.531","0.002","13.271","0.003","13.849","0.003","90","0.03","90","0.03","90","0.03","1567.9","0.6","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br2 Co N2 -","- C14 H16 Br2 Co N2 -","- C56 H64 Br8 Co4 N8 -","4","1","","Large, Benjamin; Meddeb, Maissa; Pucheta, José Enrique Herbert; Gaucher, Anne; Cordier, Marie; Gosmini, Corinne; Farjon, Jonathan; Auffrant, Audrey; Prim, Damien","Deciphering preferred geometries of pyridylmethylamines-based complexes: A robust strategy combining NMR, DFT and X-ray","Inorganica Chimica Acta","2019","498","","119070","","10.1016/j.ica.2019.119070","","","0.71069","MoKα","","0.0666","0.0547","","","0.1331","0.1436","","","","","","1.126","","","","has coordinates","271381","2021-12-14","08:44:13",""
"1565763","8.4425","0.0004","10.2492","0.0003","19.6013","0.0008","90","","90","","90","","1696.08","0.12","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O S2 -","- C18 H19 N O S2 -","- C72 H76 N4 O4 S8 -","4","1","","Krishnamurthy, Suvratha; Yoshida, Yoshiaki; Endo, Takeshi","Cationic ring-opening polymerization of a five membered cyclic dithiocarbonate having a tertiary amine moiety","Polymer Chemistry","2022","13","2","267","274","10.1039/D1PY01230D","","x-ray","1.54184","CuKα","","0.0257","0.0243","","","0.0624","0.063","","","","","","1.072","","","","has coordinates","272788","2022-02-04","20:04:48",""
"1565838","6.5263","0.0001","13.9032","0.0003","21.5712","0.0004","90","","90","","90","","1957.29","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","1","","Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade","Chemical Science","2022","13","4","1163","1168","10.1039/D1SC06025B","","","1.54178","CuKα","","0.0303","0.0282","","","0.0732","0.0752","","","","","","1.127","","","","has coordinates","272582","2022-02-04","19:13:11",""
"1565864","7.0651","0.0002","8.7859","0.0002","10.0906","0.0002","90","","90","","90","","626.36","0.03","300","0.1","300","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","LT5042","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.036","0.034","","","0.0893","0.0913","","","","","","1.098","","","","has coordinates","271676","2022-01-01","05:13:58",""
"1565865","7.0604","0.0002","8.78","0.0002","10.0712","0.0002","90","","90","","90","","624.32","0.03","275","0.1","275","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0346","0.033","","","0.0834","0.0848","","","","","","1.056","","","","has coordinates","271676","2022-01-01","05:13:58",""
"1565866","7.0533","0.0002","8.7742","0.0002","10.0552","0.0002","90","","90","","90","","622.29","0.03","250","0.1","250","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0338","0.0325","","","0.0849","0.086","","","","","","1.084","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565867","7.0476","0.0002","8.7682","0.0002","10.0363","0.0002","90","","90","","90","","620.19","0.03","225","0.1","225","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.033","0.032","","","0.0838","0.0846","","","","","","1.115","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565868","7.0422","0.0002","8.7617","0.0002","10.0158","0.0002","90","","90","","90","","617.99","0.03","200","0.1","200","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0314","0.0304","","","0.0789","0.0797","","","","","","1.072","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565869","7.0473","0.0002","8.7636","0.0002","10.0299","0.0002","90","","90","","90","","619.44","0.03","190","0.1","190","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0354","0.0344","","","0.0903","0.0911","","","","","","1.086","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565870","7.0342","0.0001","8.7569","0.0002","10.0049","0.0002","90","","90","","90","","616.28","0.02","175","0.1","175","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0309","0.0302","","","0.0767","0.0772","","","","","","1.056","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565871","7.0336","0.0002","8.7575","0.0002","10.0065","0.0002","90","","90","","90","","616.37","0.03","160","0.1","160","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0313","0.0308","","","0.079","0.0797","","","","","","1.067","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565872","7.0291","0.0001","8.7539","0.0001","9.9932","0.0002","90","","90","","90","","614.902","0.017","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.078","0.0783","","","","","","1.066","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565873","7.0245","0.0001","8.7517","0.0001","9.9817","0.0002","90","","90","","90","","613.638","0.017","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","1.54184","CuKα","","0.0295","0.0292","","","0.0741","0.0743","","","","","","1.074","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565874","7.0753","0.0007","8.7825","0.0007","10.099","0.01","90","","90","","90","","627.5","0.6","296","","296","","","","100","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.062","0.0318","","","0.0518","0.061","","","","","","1.038","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565875","6.934","0.0005","8.7568","0.0006","10.029","0.007","90","","90","","90","","609","0.4","296","2","296","","","","120000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0572","0.0297","","","0.0516","0.0586","","","","","","1.034","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565878","7.0542","0.0004","8.7774","0.0014","10.1041","0.0005","90","","90","","90","","625.62","0.11","296","2","296","","","","90000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0636","0.0359","","","0.0735","0.0835","","","","","","1.058","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565879","7.0733","0.0006","8.7965","0.0006","10.042","0.008","90","","90","","90","","624.8","0.5","296","2","296","","","","100000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0613","0.0339","","","0.0493","0.0555","","","","","","1.11","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565880","6.9987","0.0003","8.774","0.0015","10.0863","0.0009","90","","90","","90","","619.37","0.12","296","2","296","","","","170000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0585","0.0371","","","0.0812","0.0904","","","","","","1.087","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565881","7.005","0.002","8.7554","0.0018","10.086","0.002","90","","90","","90","","618.6","0.2","296","2","296","","","","180000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.2367","0.143","","","0.3439","0.4295","","","","","","1.156","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565882","7.0156","0.0018","8.7539","0.0008","10.0529","0.0013","90","","90","","90","","617.39","0.19","296","2","296","","","","200000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.1692","0.0617","","","0.0957","0.1228","","","","","","1.002","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565883","6.9235","0.0013","8.7578","0.0005","10.0265","0.0011","90","","90","","90","","607.95","0.14","296","2","296","","","","300000","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-chloro-1,2,3,4-tetrazolo[1,5-b]pyridazine","","- C4 H2 Cl N5 -","- C4 H2 Cl N5 -","- C16 H8 Cl4 N20 -","4","1","","Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej","Stochastic hydration of a high-nitrogen-content molecular compound recrystallized under pressure","IUCrJ","2022","9","1","49","54","10.1107/S2052252521010381","","x-ray","0.71073","MoKα","","0.0665","0.0425","","","0.0741","0.0811","","","","","","1.078","","","","has coordinates","271676","2022-01-01","05:13:59",""
"1565895","8.2975","0.0005","12.0102","0.0007","13.9497","0.0008","90","","90","","90","","1390.15","0.14","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Liu, Xingchen; Wang, Cheng; Li, Shang; Qu, Lailiang; Yin, Fucheng; Lu, Dehua; Luo, Heng; Chen, Xinye; Luo, Zhongwen; Cui, Ningjie; Wang, Xiaobing; Kong, Lingyi","Parthenolide Derivatives as PKM2 Activators Showing Potential in Colorectal Cancer.","Journal of medicinal chemistry","2021","64","23","17304","17325","10.1021/acs.jmedchem.1c01380","","","1.54178","CuKα","","0.0488","0.0448","","","0.1114","0.1163","","","","","","1.063","","","","has coordinates","271774","2022-01-04","01:09:10",""
"1566034","8.3138","0.0004","11.6736","0.0005","25.1152","0.001","90","","90","","90","","2437.48","0.18","291.9","0.1","291.9","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O5 -","- C26 H27 N O5 -","- C104 H108 N4 O20 -","4","1","","Ji, Dong-Sheng; Liang, Hui; Yang, Kai-Xuan; Feng, Zhitao; Luo, Yong-Chun; Xu, Guo-Qiang; Gu, Yucheng; Xu, Peng-Fei","Solvent Directed Chemical Divergent Synthesis of β-Lactams and α-Amino Acid Derivatives with Chiral Isothiourea","Chemical Science","2022","","","","","10.1039/D1SC06127E","","x-ray","1.54184","CuKα","","0.0478","0.0378","","","0.0912","0.1003","","","","","","1.021","","","","has coordinates,has disorder","272110","2022-01-18","23:08:23",""
"1566045","7.4436","0.0003","16.0587","0.0006","38.2012","0.0018","90","","90","","90","","4566.4","0.3","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 F3 N O2 S -","- C26 H22 F3 N O2 S -","- C208 H176 F24 N8 O16 S8 -","8","2","","Volla, Chandra; Singh, Anurag; Shukla, Rahul Kumar","Rh(III)-Catalyzed [5+1] Annulation of 2-Alkenylanilides and 2-Alkenylphenols with Allenyl Acetates","Chemical Science","2022","","","","","10.1039/D1SC06097J","","x-ray","0.71073","MoKα","","0.1039","0.0655","","","0.1421","0.1966","","","","","","1.095","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1566105","8.6344","0.0001","13.5463","0.0002","16.9157","0.0002","90","","90","","90","","1978.53","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 B O3 -","- C22 H27 B O3 -","- C88 H108 B4 O12 -","4","1","","Wu, Yuanqi; Wu, Lizuo; Zhang, Zhanming; Xu, Bing; Liu, Yu; Zhang, Junliang","Enantioselective Difunctionalization of Alkenes by a Palladium-Catalyzed Heck/Borylation Sequence","Chemical Science","2022","","","","","10.1039/D1SC06229H","","","1.54184","CuKα","","0.0369","0.0367","","","0.0885","0.0887","","","","","","1.031","","","","has coordinates","272206","2022-01-22","23:04:48",""
"1566124","9.4746","0.0003","12.0701","0.0004","30.0751","0.0011","90","","90","","90","","3439.4","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C152 H184 N8 O16 -","8","2","","Saunthwal, Rakesh K.; Mortimer, James; Orr-Ewing, Andrew; Clayden, Jonathan","Enantioselective one-carbon expansion of aromatic rings by simultaneous formation and chromoselective irradiation of a transient coloured enolate","Chemical Science","2022","","","","","10.1039/D1SC06684F","","x-ray","1.54178","CuKα","","0.0268","0.0266","","","0.0672","0.0674","","","","","","1.051","","","","has coordinates,has disorder","272227","2022-01-25","23:08:22",""
"1566125","5.8465","0.0001","16.2467","0.0004","17.6742","0.0004","90","","90","","90","","1678.81","0.06","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O S -","- C19 H23 N O S -","- C76 H92 N4 O4 S4 -","4","1","","Saunthwal, Rakesh K.; Mortimer, James; Orr-Ewing, Andrew; Clayden, Jonathan","Enantioselective one-carbon expansion of aromatic rings by simultaneous formation and chromoselective irradiation of a transient coloured enolate","Chemical Science","2022","","","","","10.1039/D1SC06684F","","x-ray","1.54178","CuKα","","0.0243","0.0242","","","0.0624","0.0624","","","","","","1.084","","","","has coordinates,has disorder","272227","2022-01-25","23:08:23",""
"1566126","5.827","0.0003","16.246","0.0007","16.8144","0.0008","90","","90","","90","","1591.74","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","1","","Saunthwal, Rakesh K.; Mortimer, James; Orr-Ewing, Andrew; Clayden, Jonathan","Enantioselective one-carbon expansion of aromatic rings by simultaneous formation and chromoselective irradiation of a transient coloured enolate","Chemical Science","2022","","","","","10.1039/D1SC06684F","","x-ray","1.54178","CuKα","","0.0263","0.0261","","","0.0655","0.0656","","","","","","1.098","","","","has coordinates","272227","2022-01-25","23:08:23",""
"1566164","8.9001","0.0004","14.5614","0.0007","17.2157","0.0008","90","","90","","90","","2231.12","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{2-[(2R)-1-Methylpyrrolidin-2-yl]-(1R)-ferrocenyl diphenylphosphine}","","- C27 H28 Fe N P -","- C27 H28 Fe N P -","- C108 H112 Fe4 N4 P4 -","4","1","","Meaney, Keith; Goddard, Richard; Bronger, Raymond P.J.; Guiry, Patrick J.","The preparation of ferrocene-containing phosphinamine ligands possessing central and planar chirality and their application in palladium-catalysed allylic substitution","Tetrahedron","2021","90","","132088","","10.1016/j.tet.2021.132088","","","0.71073","MoKα","","0.0597","0.0431","","","0.0884","0.0934","","","","","","1.054","","","","has coordinates","272270","2022-01-27","08:23:54",""
"1566188","5.862","0.003","7.712","0.004","14.907","0.008","90","","90","","90","","673.9","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Sasikumar, Devika; Vinod, Kavya; Sunny, Jeswin; Hariharan, Mahesh","Exciton interactions in helical crystals of a hydrogen-bonded eumelanin monomer","Chemical Science","2022","13","8","2331","2338","10.1039/D1SC06755A","","","0.71073","MoKα","","0.0689","0.0471","","","0.1044","0.1155","","","","","","1.023","","","","has coordinates","273351","2022-03-04","22:07:06",""
"1566204","23.0191","0.0011","22.9578","0.0011","32.8882","0.0019","90","","90","","90","","17380.4","1.5","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H112 F8 N2 O11 S -","- C94 H112 F8 N2 O11 S -","- C752 H896 F64 N16 O88 S8 -","8","2","","Mirzaei, Saber; Espinoza Castro, Victor M.; Hernández Sánchez, Raúl","Nonspherical anion sequestration by C–H hydrogen bonding","Chemical Science","2022","","","","","10.1039/D1SC07041J","","x-ray","1.54178","CuKα","","0.1845","0.1334","","","0.3413","0.3788","","","","","","1.188","","","","has coordinates","272358","2022-01-31","23:10:10",""
"1566285","7.4273","0.0002","17.5037","0.0003","25.5651","0.0004","90","","90","","90","","3323.6","0.12","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 O14 -","- C36 H42 O14 -","- C144 H168 O56 -","4","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0544","0.0419","","","0.104","0.1105","","","","","","1.043","","","","has coordinates","272517","2022-02-04","00:43:03",""
"1566287","7.8346","0.0001","15.3938","0.0002","24.8916","0.0003","90","","90","","90","","3002.03","0.07","100","0.12","100","0.12","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O12 -","- C32 H34 O12 -","- C128 H136 O48 -","4","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0477","0.0407","","","0.0999","0.1036","","","","","","1.06","","","","has coordinates","272519","2022-02-04","00:43:53",""
"1566288","7.03918","0.00004","16.93129","0.0001","24.57803","0.00015","90","","90","","90","","2929.27","0.03","250","0.1","250","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O11 -","- C32 H34 O11 -","- C128 H136 O44 -","4","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0304","0.0298","","","0.0824","0.083","","","","","","1.061","","","","has coordinates","272520","2022-02-04","00:44:18",""
"1566292","6.7227","0.0001","17.5115","0.0003","24.9638","0.0003","90","","90","","90","","2938.85","0.08","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O12 -","- C32 H34 O12 -","- C128 H136 O48 -","4","1","","Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao","Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.","Journal of natural products","2022","85","1","148","161","10.1021/acs.jnatprod.1c00878","","x-ray","1.54184","CuKα","","0.0468","0.0425","","","0.1077","0.1097","","","","","","1.054","","","","has coordinates","272524","2022-02-04","00:46:25",""
"1566293","8.20954","0.00015","13.0261","0.0002","22.2179","0.0003","90","","90","","90","","2375.94","0.07","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O9 -","- C26 H30 O9 -","- C104 H120 O36 -","4","1","","Wu, Yu-Zhuo; Xia, Gui-Yang; Xia, Huan; Wang, Ling-Yan; Wang, Ya-Nan; Li, Li; Shang, Hong-Cai; Lin, Sheng","<i>Seco</i> and Nor-<i>seco</i> Isodhilarane-Type Meroterpenoids from <i>Penicillium purpurogenum</i> and the Configuration Revisions of Related Compounds.","Journal of natural products","2022","85","1","248","255","10.1021/acs.jnatprod.1c01025","","x-ray","1.54184","CuKα","","0.0397","0.0381","","","0.0997","0.1014","","","","","","1.051","","","","has coordinates","272525","2022-02-04","00:46:56",""
"1566294","9.14014","0.00009","13.23545","0.00016","19.4513","0.0002","90","","90","","90","","2353.1","0.04","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O8 -","- C26 H30 O8 -","- C104 H120 O32 -","4","1","","Wu, Yu-Zhuo; Xia, Gui-Yang; Xia, Huan; Wang, Ling-Yan; Wang, Ya-Nan; Li, Li; Shang, Hong-Cai; Lin, Sheng","<i>Seco</i> and Nor-<i>seco</i> Isodhilarane-Type Meroterpenoids from <i>Penicillium purpurogenum</i> and the Configuration Revisions of Related Compounds.","Journal of natural products","2022","85","1","248","255","10.1021/acs.jnatprod.1c01025","","x-ray","1.54184","CuKα","","0.044","0.0435","","","0.1178","0.1183","","","","","","1.078","","","","has coordinates","272526","2022-02-04","00:47:33",""
"1566295","11.2389","0.0007","12.4074","0.0005","15.325","0.0007","90","","90","","90","","2137","0.19","103.4","","103.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O9 -","- C24 H26 O9 -","- C96 H104 O36 -","4","1","","Wu, Yu-Zhuo; Xia, Gui-Yang; Xia, Huan; Wang, Ling-Yan; Wang, Ya-Nan; Li, Li; Shang, Hong-Cai; Lin, Sheng","<i>Seco</i> and Nor-<i>seco</i> Isodhilarane-Type Meroterpenoids from <i>Penicillium purpurogenum</i> and the Configuration Revisions of Related Compounds.","Journal of natural products","2022","85","1","248","255","10.1021/acs.jnatprod.1c01025","","","1.5418","CuKα","","0.0406","0.0392","","","0.1031","0.1047","","","","","","1.076","","","","has coordinates","272527","2022-02-04","00:47:56",""
"1566322","7.9178","0.0001","8.1363","0.0001","20.5574","0.0003","90","","90","","90","","1324.34","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Feng, Rui; Fan, Jia-Hui; Li, Kai; Li, Zhi-Gang; Qin, Yan; Li, Zi-Ying; Li, Wei; Bu, Xian-He","Temperature-Responsive Photoluminescence and Elastic Properties of 1D Lead Halide Perovskites R- and S-(Methylbenzylamine)PbBr3","Molecules","2022","27","3","728","","10.3390/molecules27030728","","x-ray","1.54184","CuKα","","0.0416","0.041","","","0.1051","0.1057","","","","","","1.044","","","","has coordinates","272807","2022-02-05","18:44:19",""
"1566323","7.8835","0.0003","8.068","0.0003","20.1237","0.0008","90","","90","","90","","1279.95","0.09","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Feng, Rui; Fan, Jia-Hui; Li, Kai; Li, Zhi-Gang; Qin, Yan; Li, Zi-Ying; Li, Wei; Bu, Xian-He","Temperature-Responsive Photoluminescence and Elastic Properties of 1D Lead Halide Perovskites R- and S-(Methylbenzylamine)PbBr3","Molecules","2022","27","3","728","","10.3390/molecules27030728","","x-ray","0.71073","MoKα","","0.0467","0.0449","","","0.1061","0.1071","","","","","","1.041","","","","has coordinates","272808","2022-02-05","18:44:35",""
"1566354","11.50004","0.00006","18.45454","0.0001","30.36728","0.00018","90","","90","","90","","6444.79","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 F N2 O4 -","- C20 H31 F N2 O4 -","- C240 H372 F12 N24 O48 -","12","3","","Bing, Jade A.; Schley, Nathan D.; Johnston, Jeffrey N.","Fluorine-induced diastereodivergence discovered in an equally rare enantioselective syn-aza-Henry reaction","Chemical Science","2022","","","","","10.1039/D1SC05910F","","x-ray","1.54184","CuKα","","0.0315","0.0306","","","0.0764","0.0771","","","","","","1.046","","","","has coordinates","272951","2022-02-14","23:10:13",""
"1566365","10.5055","0.001","17.6861","0.0018","24.528","0.002","90","","90","","90","","4557.3","0.7","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H71 B2 Cs2 F2 N3 -","- C42 H71 B2 Cs2 F2 N3 -","- C168 H284 B8 Cs8 F8 N12 -","4","1","","Kirschner, Sven; Peters, Matthew; Yuan, Kang; Uzelac, Marina; Ingleson, Michael J.","Developing organoboranes as phase transfer catalysts for nucleophilic fluorination using CsF","Chemical Science","2022","","","","","10.1039/D2SC00303A","","","0.71073","MoKα","","0.0255","0.0235","","","0.0552","0.056","","","","","","1.067","","","","has coordinates","272978","2022-02-15","23:10:20",""
"1566369","9.16551","0.00016","10.4822","0.0002","17.5734","0.0004","90","","90","","90","","1688.36","0.06","293","0.02","293","0.02","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Wang, Jianhua; Li, Xiaoxun","Asymmetric β-arylation of cyclopropanols enabled by photoredox and nickel dual catalysis.","Chemical science","2022","13","10","3020","3026","10.1039/d1sc07237d","","x-ray","1.54184","CuKα","","0.0422","0.0396","","","0.1004","0.1025","","","","","","1.098","","","","has coordinates","274965","2022-05-05","20:26:27",""
"1566378","10.4026","0.0018","21.482","0.004","25.657","0.005","90","","90","","90","","5733.5","1.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S,S)-1b","","- C33 H28 F6 S2 -","- C33 H28 F6 S2 -","- C264 H224 F48 S16 -","8","2","","Kim, Alexia; Ngamnithiporn, Aurapat; Bartberger, Michael D.; Stoltz, Brian M.","Iridium-Catalyzed Asymmetric trans-Selective Hydrogenation of 1,3-Disubstituted Isoquinolines","Chemical Science","2022","","","","","10.1039/D1SC06729J","","","0.71073","MoKα","","0.3307","0.0802","","","0.1793","0.2835","","","","","","0.825","","","","has coordinates","273034","2022-02-18","23:12:12",""
"1566406","5.1224","0.0002","8.268","0.0003","24.1637","0.001","90","","90","","90","","1023.38","0.07","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Cl F N O2 -","- C10 H11 Cl F N O2 -","- C40 H44 Cl4 F4 N4 O8 -","4","1","","Yamane, Daiki; Onitsuka, Satsuki; Re, Suyong; Isogai, Hikaru; Hamada, Rui; Hiramoto, Tadanari; Kawanishi, Eiji; Mizuguchi, Kenji; Shindo, Naoya; Ojida, Akio","Selective covalent targeting of SARS-CoV-2 main protease by enantiopure chlorofluoroacetamide.","Chemical science","2022","13","10","3027","3034","10.1039/d1sc06596c","","x-ray","0.71073","MoKα","","0.0257","0.0247","","","0.0593","0.0598","","","","","","1.049","","","","has coordinates","274964","2022-05-05","20:26:19",""
"1566413","6.55952","0.00019","7.19955","0.00014","33.374","0.0006","90","","90","","90","","1576.11","0.06","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","","Wu, Wen-Biao; Mu, Bo-Shuai; Yu, Jin-Sheng; Zhou, Jian","Me2(CH2=CH)SiCN: a bifunctional ethylene equivalent for Diels-Alder reaction based controllable tandem synthesis","Chemical Science","2022","","","","","10.1039/D2SC00147K","","x-ray","1.54184","CuKα","","0.0425","0.0392","","","0.1032","0.1052","","","","","","1.078","","","","has coordinates","273146","2022-02-24","23:10:04",""
"1566428","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","2","23","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0287","0.0283","","","0.0633","0.0633","","","","","","2.281","","","","has coordinates","273207","2022-03-02","03:20:35",""
"1566429","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0304","0.0285","","","0.0635","0.0637","","","","","","2.25","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566430","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23.15","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0207","0.0189","","","0.0315","0.0317","","","","","","1.128","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566431","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23.15","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0203","0.0184","","","0.0304","0.0306","","","","","","1.0897","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566432","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23.15","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.0191","","","0.0321","0.0324","","","","","","1.1517","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566433","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23.15","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0206","0.0187","","","0.031","0.0312","","","","","","1.1103","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566434","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0203","0.0185","","","0.0303","0.0306","","","","","","1.088","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566435","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0187","0.0183","","","0.03","0.0301","","","","","","1.093","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566436","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0205","0.0187","","","0.0308","0.031","","","","","","1.105","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566437","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.019","","","0.0318","0.032","","","","","","1.141","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566438","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0207","0.0189","","","0.0313","0.0316","","","","","","1.124","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566439","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0213","0.0194","","","0.0329","0.0331","","","","","","1.179","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566440","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0208","0.0189","","","0.0314","0.0317","","","","","","1.128","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566441","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0205","0.0187","","","0.0309","0.0311","","","","","","1.109","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566442","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0207","0.0188","","","0.0312","0.0314","","","","","","1.117","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566443","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0206","0.0187","","","0.031","0.0312","","","","","","1.112","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566444","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0202","0.0183","","","0.0301","0.0303","","","","","","1.078","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566445","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0206","0.0188","","","0.0312","0.0314","","","","","","1.118","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566446","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.019","","","0.032","0.0322","","","","","","1.147","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566447","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0206","0.0188","","","0.0312","0.0314","","","","","","1.117","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566448","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.019","","","0.0318","0.032","","","","","","1.14","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566449","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0209","0.0191","","","0.0319","0.0322","","","","","","1.145","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566450","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15.15","","15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0342","","","0.0397","0.0406","","","","","","1.4968","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566451","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15.15","","15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0342","","","0.0398","0.0407","","","","","","1.5005","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566452","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15.15","","15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0344","","","0.04","0.0409","","","","","","1.508","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566453","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15.15","","15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0342","","","0.0396","0.0405","","","","","","1.4948","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566454","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0341","","","0.0394","0.0403","","","","","","1.487","","","","has coordinates","273207","2022-03-02","03:20:36",""
"1566456","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0343","","","0.0398","0.0407","","","","","","1.502","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566457","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0484","0.0344","","","0.0399","0.0408","","","","","","1.505","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566458","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0344","","","0.0398","0.0407","","","","","","1.5","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566459","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0486","0.0346","","","0.0402","0.0411","","","","","","1.516","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566460","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0344","","","0.0398","0.0407","","","","","","1.5","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566461","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0482","0.0343","","","0.0397","0.0406","","","","","","1.496","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566462","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0482","0.0343","","","0.0396","0.0405","","","","","","1.494","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566463","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0343","","","0.0397","0.0406","","","","","","1.497","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566464","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0481","0.0341","","","0.0395","0.0404","","","","","","1.49","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566465","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0483","0.0343","","","0.0398","0.0407","","","","","","1.5","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566466","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.35307","synchrotron","","0.0485","0.0346","","","0.0403","0.0412","","","","","","1.52","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566484","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.15","","122.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0157","0.0126","","","0.0211","0.0218","","","","","","0.6903","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566485","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.15","","122.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0154","0.0123","","","0.0205","0.0212","","","","","","0.6735","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566486","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.15","","122.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0159","0.0127","","","0.0215","0.0222","","","","","","0.7026","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566487","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.15","","122.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0155","0.0123","","","0.0207","0.0214","","","","","","0.6794","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566488","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0156","0.0124","","","0.0207","0.0214","","","","","","0.68","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566489","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0164","0.0133","","","0.0222","0.0228","","","","","","0.726","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566490","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0158","0.0126","","","0.0213","0.022","","","","","","0.697","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566491","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0161","0.0129","","","0.0217","0.0224","","","","","","0.709","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566492","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0159","0.0128","","","0.0215","0.0222","","","","","","0.704","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566493","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0166","0.0135","","","0.0229","0.0235","","","","","","0.747","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566494","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.016","0.0129","","","0.0216","0.0223","","","","","","0.708","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566495","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0157","0.0126","","","0.0211","0.0218","","","","","","0.692","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566496","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0159","0.0127","","","0.0214","0.0221","","","","","","0.701","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566497","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0158","0.0126","","","0.0212","0.0219","","","","","","0.694","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566498","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0154","0.0122","","","0.0205","0.0212","","","","","","0.672","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566499","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0158","0.0127","","","0.0213","0.022","","","","","","0.698","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566500","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar","Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions","IUCrJ","2022","9","2","286","297","10.1107/S2052252522001385","","","0.71073","MoKα","","0.0162","0.013","","","0.0219","0.0226","","","","","","0.715","","","","has coordinates","273207","2022-03-02","03:20:37",""
"1566553","5.1556","0.0001","9.493","0.0001","31.8376","0.0004","90","","90","","90","","1558.2","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O -","- C16 H27 N O -","- C64 H108 N4 O4 -","4","1","","Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying","Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of <i>Microcos paniculata</i>.","Journal of natural products","2022","85","2","375","383","10.1021/acs.jnatprod.1c00960","","","1.54178","CuKα","","0.0336","0.0333","","","0.0845","0.0847","","","","","","1.109","","","","has coordinates","273303","2022-03-04","00:31:08",""
"1566554","5.0809","0.0001","9.5095","0.0002","31.1268","0.0006","90","","90","","90","","1503.95","0.05","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O -","- C16 H25 N O -","- C64 H100 N4 O4 -","4","1","","Wu, Zhen-Long; Zhang, Wei-Yan; Zhong, Jin-Cheng; Huang, Xiao-Jun; Xu, Wei; Chen, Min-Feng; Weng, Shao-Quan; Zhang, Dong-Mei; Che, Chun-Tao; Ye, Wen-Cai; Wang, Ying","Angiogenesis-Inhibitory Piperidine Alkaloids from the Leaves of <i>Microcos paniculata</i>.","Journal of natural products","2022","85","2","375","383","10.1021/acs.jnatprod.1c00960","","","1.54178","CuKα","","0.043","0.0409","","","0.1291","0.1318","","","","","","1.051","","","","has coordinates","273304","2022-03-04","00:31:32",""
"1566556","8.2204","0.0007","8.5993","0.0007","13.4964","0.0011","90","","90","","90","","954.06","0.14","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N O3 S -","- C9 H9 N O3 S -","- C36 H36 N4 O12 S4 -","4","1","","Xu, Yanchao; Liu, Wen; Wu, Dan; He, Wenwen; Zuo, Mingxing; Wang, Dongyang; Fu, Peng; Wang, Liping; Zhu, Weiming","Sulfur-Containing Phenolic Compounds from the Cave Soil-Derived <i>Aspergillus fumigatus</i> GZWMJZ-152.","Journal of natural products","2022","85","2","433","440","10.1021/acs.jnatprod.1c01158","","","0.71073","MoKα","","0.0308","0.0279","","","0.0711","0.073","","","","","","1.068","","","","has coordinates","273306","2022-03-04","00:32:23",""
"1566563","7.776","0.0003","8.6993","0.0004","26.8196","0.0011","90","","90","","90","","1814.23","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O10 -","- C17 H22 O10 -","- C68 H88 O40 -","4","1","","Chen, Jianwei; Chen, Jun; Wang, Siqi; Bao, Xiaoze; Li, Songwei; Wei, Bin; Zhang, Huawei; Wang, Hong","Amycolachromones A–F, Isolated from a Streptomycin-Resistant Strain of the Deep-Sea Marine Actinomycete Amycolatopsis sp. WP1","Marine Drugs","2022","20","3","162","","10.3390/md20030162","","","0.71073","MoKα","","0.0584","0.0472","","","0.127","0.1347","","","","","","1.056","","","","has coordinates","273448","2022-03-05","15:26:52",""
"1566564","7.776","0.0003","8.6993","0.0004","26.8196","0.0011","90","","90","","90","","1814.23","0.13","571","2","571.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C1.21 H1.21 O0.6 -","- C1.20755 H1.20755 O0.603774 -","- C64 H64 O32 -","53","13.25","","Chen, Jianwei; Chen, Jun; Wang, Siqi; Bao, Xiaoze; Li, Songwei; Wei, Bin; Zhang, Huawei; Wang, Hong","Amycolachromones A–F, Isolated from a Streptomycin-Resistant Strain of the Deep-Sea Marine Actinomycete Amycolatopsis sp. WP1","Marine Drugs","2022","20","3","162","","10.3390/md20030162","","","0.71073","MoKα","","0.2213","0.2096","","","0.5221","0.5358","","","","","","2.602","","","","has coordinates","273449","2022-03-05","15:27:23",""
"1566565","7.776","0.0003","8.6993","0.0004","26.8196","0.0011","90","","90","","90","","1814.23","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13.25 H13.25 O13.25 -","- C16 H16 O8 -","- C64 H64 O32 -","4","1","","Chen, Jianwei; Chen, Jun; Wang, Siqi; Bao, Xiaoze; Li, Songwei; Wei, Bin; Zhang, Huawei; Wang, Hong","Amycolachromones A–F, Isolated from a Streptomycin-Resistant Strain of the Deep-Sea Marine Actinomycete Amycolatopsis sp. WP1","Marine Drugs","2022","20","3","162","","10.3390/md20030162","","","0.71073","MoKα","","0.222","0.2094","","","0.5205","0.5347","","","","","","2.56","","","","has coordinates","273450","2022-03-05","15:28:01",""
"1566566","7.776","0.0003","8.6993","0.0004","26.8196","0.0011","90","","90","","90","","1814.23","0.13","296.3","0.3","296.3","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O10 -","- C17 H22 O10 -","- C68 H88 O40 -","4","1","","Chen, Jianwei; Chen, Jun; Wang, Siqi; Bao, Xiaoze; Li, Songwei; Wei, Bin; Zhang, Huawei; Wang, Hong","Amycolachromones A–F, Isolated from a Streptomycin-Resistant Strain of the Deep-Sea Marine Actinomycete Amycolatopsis sp. WP1","Marine Drugs","2022","20","3","162","","10.3390/md20030162","","x-ray","0.71073","MoKα","","0.0566","0.0455","","","0.1177","0.1256","","","","","","1.011","","","","has coordinates","273451","2022-03-05","15:28:46",""
"1566590","12.3663","0.0003","16.7129","0.0003","25.3786","0.0005","90","","90","","90","","5245.17","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl N2 O3 -","- C30 H29 Cl N2 O3 -","- C240 H232 Cl8 N16 O24 -","8","2","","Dai, Yating; Liang, Shuangshuang; Zeng, Guangkuo; Huang, Hongchun; Zhao, Xiaowei; Cao, Shanshan; Jiang, Zhiyong","Asymmetric [3 + 2] photocycloadditions of cyclopropylamines with electron-rich and electron-neutral olefins","Chemical Science","2022","","","","","10.1039/D1SC07044D","","x-ray","1.54184","CuKα","","0.087","0.0576","","","0.1329","0.1549","","","","","","1.022","","","","has coordinates,has disorder","273621","2022-03-10","23:19:20",""
"1566591","5.89107","0.00007","16.00327","0.00017","22.3169","0.0002","90","","90","","90","","2103.96","0.04","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 O2 P -","- C25 H25 O2 P -","- C100 H100 O8 P4 -","4","1","","Zhang, Ya-Qian; Zhang, Qingwei; Han, Xue-Yu; Wu, Yue; Qi, Peng-Jia; Zhang, Qing","Ni-Catalyzed Asymmetric Hydrophosphinylation of Conjugated Enynes and Mechanistic Studies","Chemical Science","2022","","","","","10.1039/D2SC00091A","","x-ray","1.54184","CuKα","","0.0455","0.0437","","","0.123","0.1251","","","","","","1.049","","","","has coordinates","273622","2022-03-10","23:20:17",""
"1566597","9.2608","0.0003","14.3014","0.0005","18.9339","0.0006","90","","90","","90","","2507.65","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 O6 S2 -","- C28 H24 O6 S2 -","- C112 H96 O24 S8 -","4","1","","Hu, Linfeng; Li, Jinzhao; Zhang, Yongyan; Feng, Xiaoming; Liu, Xiaohua","Enantioselective [1,2]-Stevens Rearrangement of Thiosulfonates to Construct Dithio-Substituted Quaternary Carbon Centers","Chemical Science","2022","","","","","10.1039/D2SC00419D","","","1.54178","CuKα","","0.0422","0.0373","","","0.0885","0.0973","","","","","","1.09","","","","has coordinates","273667","2022-03-11","23:10:14",""
"1566607","16.2474","0.0005","17.2899","0.0008","46.6858","0.0017","90","","90","","90","","13114.8","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C92 H166 Fe N4 O28 Si16 -","- C92 H166 Fe N4 O28 Si16 -","- C368 H664 Fe4 N16 O112 Si64 -","4","1","","Zong, Zhaohui; Hao, Aiyou; Xing, Pengyao; Zhao, Yanli","Chiral Molecular Nanosilicas","Chemical Science","2022","","","","","10.1039/D2SC00793B","","x-ray","1.54184","CuKα","","0.1694","0.1309","","","0.3442","0.3804","","","","","","1.061","","","","has coordinates,has disorder","273685","2022-03-14","23:14:08",""
"1566648","8.3499","0.0002","8.1391","0.0002","4.0825","0.0001","90","","90","","90","","277.449","0.012","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","ice XIV","","- D2 O -","- D2 O -","- D24 O12 -","12","3","","Salzmann, C. G.; Radaelli, P. G.; Hallbrucker, A.; Mayer, E.; Finney, J. L.","The preparation and structures of hydrogen ordered phases of ice","Science","2006","311","","1758","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273842","2022-03-20","07:41:52",""
"1566668","5.46991","0.00009","10.15896","0.00014","34.3303","0.0005","90","","90","","90","","1907.69","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 N O6 S -","- C16 H29 N O6 S -","- C64 H116 N4 O24 S4 -","4","1","","Nguyen, Vu T.; Haug, Graham C.; Nguyen, Viet D.; Vuong, Ngan T. H.; Karki, Guna B.; Arman, Hadi; Larionov, Oleg V.","Functional Group Divergence and the Structural Basis of Acridine Photocatalysis Revealed by Direct Decarboxysulfonylation","Chemical Science","2022","","","","","10.1039/D2SC00789D","","x-ray","1.54184","CuKα","","0.0313","0.0303","","","0.0767","0.0773","","","","","","1.025","","","","has coordinates","273877","2022-03-21","23:14:26",""
"1566682","8.0346","0.0003","12.621","0.0005","16.5455","0.0006","90","","90","","90","","1677.79","0.11","169","2","169","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O6 S -","- C16 H19 N O6 S -","- C64 H76 N4 O24 S4 -","4","1","","Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili","Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones","Chemical Science","2022","","","","","10.1039/D2SC00446A","","","1.54178","CuKα","","0.0456","0.0426","","","0.1163","0.1184","","","","","","1.14","","","","has coordinates","273900","2022-03-22","23:10:10",""
"1566685","8.1051","0.0004","14.1921","0.0006","15.2659","0.0007","90","","90","","90","","1756.01","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O6 S -","- C16 H20 N2 O6 S -","- C64 H80 N8 O24 S4 -","4","1","","Li, Gonglin; Zhang, Yan; Zeng, Hongkun; Feng, Xiaoming; Su, Zhishan; Lin, Lili","Water Enables Diastereodivergency in Bispidine-Based Chiral Amine-Catalyzed Asymmetric Mannich Reaction of Cyclic N-Sulfonyl Ketimines with Ketones","Chemical Science","2022","","","","","10.1039/D2SC00446A","","","1.54178","CuKα","","0.0432","0.0406","","","0.1012","0.1054","","","","","","1.109","","","","has coordinates","273900","2022-03-22","23:10:11",""
"1566691","8.9883","0.0016","11.1112","0.0016","17.485","0.003","90","","90","","90","","1746.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","BODIPY-DACO","10-((2-acetamidocyclohexyl)iminio)-5,5-difluoro-5H,10H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-5-uide","","- C17 H21 B F2 N4 O -","- C17 H21 B F2 N4 O -","- C68 H84 B4 F8 N16 O4 -","4","1","","Zeng, Lintao; Chen, Tianhong; Zhu, Beitong; Koo, Seyoung; Tang, Yonghe; Lin, Weiying; James, Tony D.; Kim, Jong Seung","A molecular recognition platform for the simultaneous sensing of diverse chemical weapons","Chemical Science","2022","","","","","10.1039/D2SC00299J","","","0.71073","MoKα","","0.0948","0.0455","","","0.0864","0.1166","","","","","","1.014","","","","has coordinates","273938","2022-03-23","23:11:49",""
"1566701","9.9306","0.0006","13.2468","0.0009","27.4297","0.0018","90","","90","","90","","3608.3","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 Au N O6 -","- C42 H36 Au N O5 -","- C168 H144 Au4 N4 O20 -","4","1","","Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang","Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis","Chemical Science","2022","","","","","10.1039/D2SC00388K","","x-ray","0.71073","MoKα","","0.0455","0.0409","","","0.0792","0.0804","","","","","","1.164","","","","has coordinates,has disorder","274008","2022-03-25","23:12:47",""
"1566702","11.8935","0.0006","12.6595","0.0006","18.8734","0.001","90","","90","","90","","2841.7","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H24 N O2 P -","- C38 H24 N O2 P -","- C152 H96 N4 O8 P4 -","4","1","","Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang","Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis","Chemical Science","2022","","","","","10.1039/D2SC00388K","","x-ray","1.54178","CuKα","","0.025","0.0242","","","0.0607","0.061","","","","","","1.047","","","","has coordinates","274008","2022-03-25","23:12:48",""
"1566703","12.999","0.005","13.954","0.004","22.15","0.008","90","","90","","90","","4018","2","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41.17 H29.17 Au Cl3.5 N O3 -","- C41.1666 H29.1666 Au Cl3.4998 N O3 -","- C164.666 H116.666 Au4 Cl13.9992 N4 O12 -","4","1","","Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang","Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis","Chemical Science","2022","","","","","10.1039/D2SC00388K","","x-ray","0.71073","MoKα","","0.0723","0.0476","","","0.1201","0.1338","","","","","","1.071","","","","has coordinates,has disorder","274008","2022-03-25","23:12:48",""
"1566704","12.578","0.001","13.7123","0.0011","21.0398","0.0015","90","","90","","90","","3628.8","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H32 Au Cl4 N O3 -","- C42 H32 Au Cl4 N O3 -","- C168 H128 Au4 Cl16 N4 O12 -","4","1","","Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang","Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis","Chemical Science","2022","","","","","10.1039/D2SC00388K","","x-ray","0.71073","MoKα","","0.0506","0.0493","","","0.1205","0.1212","","","","","","1.144","","","","has coordinates,has disorder","274008","2022-03-25","23:12:48",""
"1566705","9.9266","0.0007","13.1669","0.0009","27.3976","0.0019","90","","90","","90","","3580.9","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 Au N O5 -","- C42 H36 Au N O5 -","- C168 H144 Au4 N4 O20 -","4","1","","Guo, Jia; Xiong, Wen-Bin; Ma, Hao-Ran; Fan, Luoyi; Zhou, You-Yun; Wong, Henry N. C.; Cui, Jian-Fang","Optical Resolution of 1,16-Dihydroxytetraphenylene by Chiral Gold(III) Complexation and Its Applications as Chiral Ligands in Asymmetric Catalysis","Chemical Science","2022","","","","","10.1039/D2SC00388K","","x-ray","0.71073","MoKα","","0.0595","0.0512","","","0.1213","0.1231","","","","","","1.26","","","","has coordinates,has disorder","274008","2022-03-25","23:12:48",""
"1566709","10.4581","0.0002","14.2792","0.0003","17.4031","0.0004","90","","90","","90","","2598.86","0.09","149.9","0.2","150.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Cl O P2 Rh S -","- C28 H28 Cl O P2 Rh S -","- C112 H112 Cl4 O4 P8 Rh4 S4 -","4","1","","Li, Ruiping; Barel, Nitsan; Subramaniyan, Vasudevan; Cohen, Orit; Tibika, Françoise; Tulchinsky, Yuri","Sulfonium cations as versatile strongly π-acidic ligands","Chemical Science","2022","","","","","10.1039/D2SC00588C","","","0.71073","MoKα","","0.0207","0.0191","","","0.0449","0.0455","","","","","","1.044","","","","has coordinates","274010","2022-03-25","23:16:09",""
"1566725","9.2992","0.0001","18.0846","0.0002","24.744","0.0002","90","","90","","90","","4161.26","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H46 Cl2 N4 O4 -","- C46 H46 Cl2 N4 O4 -","- C184 H184 Cl8 N16 O16 -","4","1","","Xiao, Lu; Li, Bo; Xiao, Fan; Fu, Cong; Wei, Liang; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Stereodivergent Synthesis of Enantioenriched Azepino[3,4,5-cd]-Indoles via Cooperative Cu/Ir-Catalyzed Asymmetric Allylic Alkylation and Intramolecular Friedel-Crafts Reaction","Chemical Science","2022","","","","","10.1039/D1SC07271D","","x-ray","1.54184","CuKα","","0.0442","0.0431","","","0.1131","0.1141","","","","","","1.03","","","","has coordinates","274137","2022-03-30","22:16:37",""
"1566726","9.11893","0.00005","17.37833","0.0001","50.2087","0.0003","90","","90","","90","","7956.66","0.08","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C368 H368 Cl16 N32 O32 -","16","4","","Xiao, Lu; Li, Bo; Xiao, Fan; Fu, Cong; Wei, Liang; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Stereodivergent Synthesis of Enantioenriched Azepino[3,4,5-cd]-Indoles via Cooperative Cu/Ir-Catalyzed Asymmetric Allylic Alkylation and Intramolecular Friedel-Crafts Reaction","Chemical Science","2022","","","","","10.1039/D1SC07271D","","x-ray","1.54184","CuKα","","0.0491","0.0486","","","0.1328","0.1332","","","","","","1.104","","","","has coordinates","274137","2022-03-30","22:16:37",""
"1566736","5.5437","0.0002","8.4551","0.0003","52.42","0.003","90","","90","","90","","2457.06","0.19","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","2","","Müller, Christoph; Gleixner, Jakob; Tahk, Maris-Johanna; Kopanchuk, Sergei; Laasfeld, Tõnis; Weinhart, Michael; Schollmeyer, Dieter; Betschart, Martin U.; Lüdeke, Steffen; Koch, Pierre; Rinken, Ago; Keller, Max","Structure-Based Design of High-Affinity Fluorescent Probes for the Neuropeptide Y Y<sub>1</sub> Receptor.","Journal of medicinal chemistry","2022","65","6","4832","4853","10.1021/acs.jmedchem.1c02033","","","1.54178","CuKα","","0.052","0.0466","","","0.1188","0.1256","","","","","","1.091","","","","has coordinates","274289","2022-04-03","23:29:08",""
"1566739","6.562","0.0008","14.232","0.0017","14.4563","0.0019","90","","90","","90","","1350.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Kim, Alexia N.; Ngamnithiporn, Aurapat; Bartberger, Michael D.; Stoltz, Brian M.","Iridium-catalyzed asymmetric trans-selective hydrogenation of 1,3-disubstituted isoquinolines","Chemical Science","2022","13","11","3227","3232","10.1039/D1SC06729J","","","1.54178","CuKα","","0.0317","0.0314","","","0.0806","0.0807","","","","","","1.106","","","","has coordinates","274302","2022-04-04","07:43:31",""
"1566769","17.3","0.003","17.4","","18.975","0.003","90","","90","","90","","5711.9","1.3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H28 Bi N4 O9 -","- C48 H28 Bi N4 O9 -","- C192 H112 Bi4 N16 O36 -","4","1","","Xie, Dale; Wang, Sheng; Li, Shihao; Yang, Wenqing; Feng, Yi-Si","A two-dimensional Bi-based porphyrin metal–organic framework photocatalyst for white light-driven selective oxidation of sulfides","Catalysis Science & Technology","2022","12","10","3254","3260","10.1039/D2CY00387B","","x-ray","0.71073","MoKα","","0.0786","0.0474","","","0.0899","0.0964","","","","","","0.719","","","","has coordinates","275776","2022-06-06","01:37:08",""
"1566794","5.8199","0.0008","11.7062","0.0014","18.082","0.002","90","","90","","90","","1231.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 F6 O -","- C14 H12 F6 O -","- C56 H48 F24 O4 -","4","1","","Sathe, Devavrat; Zhou, Junfeng; Chen, Hanlin; Schrage, Briana R.; Yoon, Seiyoung; Wang, Zeyu; Ziegler, Christopher J.; Wang, Junpeng","Depolymerizable semi-fluorinated polymers for sustainable functional materials","Polymer Chemistry","2022","13","18","2608","2614","10.1039/D2PY00240J","","","0.71073","MoKα","","0.0944","0.0775","","","0.2021","0.216","","","","","","1.059","","","","has coordinates","275833","2022-06-06","02:07:19",""
"1566806","8.7619","0.0001","9.0395","0.0001","21.2088","0.0003","90","","90","","90","","1679.8","0.04","179.99","0.1","179.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C76 H76 N4 O24 -","4","1","","Zhang, Fangqing; Ren, Bing-Tao; Zhou, Yuqiao; Liu, Yangbin; Feng, Xiaoming","Enantioselective Construction of cis-Hydroindole Scaffolds via Asymmetric Inverse-Electron-Demand Diels–Alder Reaction: Application to the Formal Total Synthesis of (+)-Minovincine","Chemical Science","2022","","","","","10.1039/D2SC01458K","","","1.54184","CuKα","","0.0266","0.0262","","","0.0705","0.0707","","","","","","1.043","","","","has coordinates","274557","2022-04-15","22:07:44",""
"1566850","6.4503","0.0002","15.415","0.0005","22.904","0.0008","90","","90","","90","","2277.38","0.13","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H18 Al F9 O18 S3 -","- C3 H18 Al F9 O18 S3 -","- C12 H72 Al4 F36 O72 S12 -","4","1","","Pastel, Glenn R.; Chen, Ying; Pollard, Travis P.; Schroeder, Marshall A.; Bowden, Mark E.; Zheng, Allen; Hahn, Nathan T.; Ma, Lin; Murugesan, Vijayakumar; Ho, Janet; Garaga, Mounesha; Borodin, Oleg; Mueller, Karl; Greenbaum, Steven; Xu, Kang","A sobering examination of the feasibility of aqueous aluminum batteries","Energy & Environmental Science","2022","15","6","2460","2469","10.1039/D2EE00134A","","","0.71073","MoKα","","0.0677","0.0563","","","0.1304","0.1422","","","","","","1.0159","","","","has coordinates","276623","2022-07-06","08:11:57",""
"1566851","7.2488","0.0009","10.7508","0.0014","17.638","0.002","90","","90","","90","","1374.5","0.3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N2 O P -","- C14 H17 N2 O P -","- C56 H68 N8 O4 P4 -","4","1","","Zhang, Ying; Yuan, Jia; Huang, Guanglong; Yu, Hong; Liu, Jinpeng; Chen, Jian; Meng, Sixuan; Zhong, Jian-Ji; Dang, Li; Yu, Guang-Ao; Che, Chi-Ming","Direct visible-light-induced synthesis of P-stereogenic phosphine oxides under air conditions.","Chemical science","2022","13","22","6519","6524","10.1039/d2sc00036a","","","0.71073","MoKα","","0.0366","0.0339","","","0.0863","0.0887","","","","","","1.094","","","","has coordinates","276598","2022-07-06","07:57:38",""
"1566853","11.3375","0.0001","16.044","0.0002","17.0248","0.0002","90","","90","","90","","3096.79","0.06","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 I N3 O P2 -","- C27 H48 I N3 O P2 -","- C108 H192 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.051","0.0291","","","0.0545","0.0587","","","","","","0.996","","","","has coordinates","274670","2022-04-25","22:23:35",""
"1566854","11.2847","0.0002","16.6693","0.0003","16.9948","0.0003","90","","90","","90","","3196.86","0.1","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 I N3 O P2 -","- C28 H50 I N3 O P2 -","- C112 H200 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0478","0.0338","","","0.065","0.0691","","","","","","1.049","","","","has coordinates","274670","2022-04-25","22:23:35",""
"1566856","9.9457","0.0002","13.5082","0.0003","22.3174","0.0006","90","","90","","90","","2998.31","0.12","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 N2 O2 P2 -","- C28 H52 N2 O2 P2 -","- C112 H208 N8 O8 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.062","0.0379","","","0.0799","0.0837","","","","","","0.954","","","","has coordinates","274670","2022-04-25","22:23:35",""
"1566860","11.3691","0.0001","16.4031","0.0002","17.294","0.0002","90","","90","","90","","3225.13","0.06","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 I N3 O P2 -","- C28 H50 I N3 O P2 -","- C112 H200 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0397","0.0317","","","0.0696","0.0732","","","","","","1.04","","","","has coordinates","274670","2022-04-25","22:23:36",""
"1566862","9.3035","0.0001","15.6398","0.0003","19.0287","0.0004","90","","90","","90","","2768.77","0.08","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H45 N3 O P2 -","- C26 H45 N3 O P2 -","- C104 H180 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0531","0.0364","","","0.0783","0.0819","","","","","","1.005","","","","has coordinates","274670","2022-04-25","22:23:36",""
"1566865","11.0895","0.0006","16.8933","0.0009","17.0952","0.0009","90","","90","","90","","3202.6","0.3","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H54 I N3 O P2 -","- C27 H54 I N3 O P2 -","- C108 H216 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","1.54178","CuKα","","0.0195","0.0189","","","0.0449","0.0452","","","","","","1.072","","","","has coordinates","274670","2022-04-25","22:23:37",""
"1566866","11.7716","0.0002","15.9064","0.0003","16.4323","0.0003","90","","90","","90","","3076.85","0.1","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 I N3 O P2 -","- C27 H48 I N3 O P2 -","- C108 H192 I4 N12 O4 P8 -","4","1","","Peel, Andrew J.; Terzopoulos, Alexandros; Jethwa, Rajesh B.; Choudhury, Dipanjana; Niu, Hao-Che; Bond, Andrew D.; Slaughter, Jonathan; Wright, Dominic S.","A chiral phosphazane reagent strategy for the determination of enantiomeric excess of amines","Chemical Science","2022","","","","","10.1039/D2SC01692C","","","0.71073","MoKα","","0.0628","0.0332","","","0.062","0.0672","","","","","","1.021","","","","has coordinates","274670","2022-04-25","22:23:37",""
"1566881","7.2123","0.0002","17.9092","0.0004","27.4926","0.0005","90","","90","","90","","3551.12","0.14","169.99","0.16","169.99","0.16","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H36 O5 -","- C52 H36 O5 -","- C208 H144 O20 -","4","1","","Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei","Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials","Chemical Science","2022","","","","","10.1039/D2SC01846B","","x-ray","1.54184","CuKα","","0.049","0.044","","","0.1189","0.1236","","","","","","1.045","","","","has coordinates","274723","2022-04-27","22:15:18",""
"1566882","25.8331","0.0011","10.6809","0.0005","13.7334","0.0005","90","","90","","90","","3789.3","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H38 O4 -","- C54 H38 O4 -","- C216 H152 O16 -","4","1","","Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei","Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials","Chemical Science","2022","","","","","10.1039/D2SC01846B","","","0.71073","MoKα","","0.0744","0.0615","","","0.1443","0.1525","","","","","","1.106","","","","has coordinates","274723","2022-04-27","22:15:18",""
"1566883","10.2762","0.0004","13.1669","0.0005","26.875","0.0009","90","","90","","90","","3636.3","0.2","170","0.1","170","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H30 O4 -","- C54 H30 O4 -","- C216 H120 O16 -","4","1","","Han, Jianlei; Shi, Yonghong; Jin, Xue; Yang, Xuefeng; Duan, Pengfei","Regulating the Excited State Chirality to Fabricate High-Performance-Solid-State Circularly Polarized Luminescence Materials","Chemical Science","2022","","","","","10.1039/D2SC01846B","","x-ray","0.71073","MoKα","","0.089","0.0517","","","0.1134","0.1252","","","","","","1.04","","","","has coordinates","274723","2022-04-27","22:15:18",""
"1566913","9.1891","0.0001","12.7559","0.0001","21.0227","0.0002","90","","90","","90","","2464.18","0.04","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H12 As Co F10 O3 Pt -","- C23 H12 As Co F10 O3 Pt -","- C92 H48 As4 Co4 F40 O12 Pt4 -","4","1","","Kirk, Ryan M.; Hill, Anthony","Arsolyl-Supported Intermetallic Dative Bonding","Chemical Science","2022","","","","","10.1039/D2SC01200F","","x-ray","1.54184","CuKα","","0.0297","0.0292","","","0.071","0.0714","","","","","","1.056","","","","has coordinates","274897","2022-05-04","22:17:54",""
"1566918","9.608","0.0003","13.2461","0.0005","20.0321","0.0006","90","","90","","90","","2549.46","0.15","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 N2 O7 -","- C22 H38 N2 O7 -","- C88 H152 N8 O28 -","4","1","","Chen, Wei-An; Chen, Yu-Hsin; Hsieh, Chiao-Yun; Hung, Pi-Fang; Chen, Chiao-Wen; Chen, Chien-Hung; Lin, Jung-Lee; Cheng, Ting-Jen R.; Hsu, Tsui-Ling; Wu, Ying-Ta; Shen, Chia-Ning; Cheng, Wei-Chieh","Harnessing natural-product-inspired combinatorial chemistry and computation-guided synthesis to develop N-glycan modulators as anticancer agents","Chemical Science","2022","","","","","10.1039/D1SC05894K","","","0.71073","MoKα","","0.0391","0.0345","","","0.0797","0.0824","","","","","","1.024","","","","has coordinates","274898","2022-05-04","22:18:59",""
"1566955","10.9727","0.0005","11.795","0.0004","14.1878","0.0007","90","","90","","90","","1836.23","0.14","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","((2R,4S)-4-(4-bromophenyl)-2-(3,5-dinitrophenyl)-2-(trifluoromethyl)-1,3-dioxolan-4-yl)methanol","","- C17 H12 Br F3 N2 O7 -","- C17 H12 Br F3 N2 O7 -","- C68 H48 Br4 F12 N8 O28 -","4","1","","Sandvoß, Alexander; Maag, Henning; Daniliuc, Constantin G.; Schollmeyer, Dieter; Wahl, Johannes M.","Dynamic kinetic resolution of transient hemiketals: a strategy for the desymmetrisation of prochiral oxetanols","Chemical Science","2022","","","","","10.1039/D2SC01547A","","","0.71073","MoKα","","0.0425","0.0358","","","0.0778","0.0816","","","","","","1.075","","","","has coordinates","275346","2022-05-11","22:12:05",""
"1567019","7.32492","0.00006","7.77679","0.00005","18.6427","0.00013","90","","90","","90","","1061.97","0.013","85","2","85","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 F2 N O -","- C12 H13 F2 N O -","- C48 H52 F8 N4 O4 -","4","1","","Noten, Efrey A.; McAtee, Rory C.; Stephenson, Corey R. J.","Catalytic intramolecular aminoarylation of unactivated alkenes with aryl sulfonamides","Chemical Science","2022","","","","","10.1039/D2SC01228F","","","1.54184","CuKα","","0.0271","0.0269","","","0.0698","0.0699","","","","","","1.074","","","","has coordinates","275658","2022-05-26","22:08:23",""
"1567054","8.9395","0.0001","9.8238","0.0001","29.8355","0.0003","90","","90","","90","","2620.15","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 B11 Br -","- C23 H28 B11 Br -","- C92 H112 B44 Br4 -","4","1","","Bischof, Tobias; Guo, Xueying; Krummenacher, Ivo; Beßler, Lukas; Lin, Zhenyang; Finze, Maik; Braunschweig, Holger","Alkene insertion reactivity of a o-carboranyl-substituted 9-borafluorene","Chemical Science","2022","","","","","10.1039/D2SC02750J","","","1.54184","CuKα","","0.0376","0.0363","","","0.0891","0.0899","","","","","","1.046","","","","has coordinates","275750","2022-06-02","22:15:12",""
"1567073","11.191","0.0013","18.5238","0.0019","21.495","0.002","90","","90","","90","","4455.9","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H45 Cl N2 Pd -","- C48 H45 Cl N2 Pd -","- C192 H180 Cl4 N8 Pd4 -","4","1","","Lu, Zhou; Liao, Yudan; Fan, Weigang; Dai, Shengyu","Efficient suppression of the chain transfer reaction in ethylene coordination polymerization with dibenzosuberyl substituents","Polymer Chemistry","2022","13","28","4090","4099","10.1039/D2PY00282E","","","0.71073","MoKα","","0.0906","0.058","","","0.1261","0.1404","","","","","","1.054","","","","has coordinates,has disorder","277146","2022-08-06","12:04:00",""
"1567077","17.2251","0.0004","23.1997","0.0007","28.8441","0.0008","90","","90","","90","","11526.6","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C109 H121 B4 F8 N11 O5 -","- C109 H121 B4 F8 N11 O5 -","- C436 H484 B16 F32 N44 O20 -","4","1","","Zhou, Weinan; Sarma, Tridib; Yang, Liu; Lei, Chuanhu; Sessler, Jonathan L.","Controlled assembly of a bicyclic porphyrinoid and its 3-dimensional boron difluoride arrays","Chemical Science","2022","13","24","7276","7282","10.1039/D2SC01635D","","","1.54178","CuKα","","0.0994","0.0823","","","0.2307","0.2518","","","","","","1.002","","","","has coordinates,has disorder","276592","2022-07-06","07:55:19",""
"1567083","4.3773","0.0007","13.585","0.002","14.057","0.003","90","","90","","90","","835.9","0.3","200","2","200","2","","","","","","","Lancaster Synthesis","4","P 21 21 21","P 2ac 2ab","19","","2,6-Dibromo-4-methylaniline","","- C7 H7 Br2 N -","- C7 H7 Br2 N -","- C28 H28 Br8 N4 -","4","1","HB4398","Brihi, Ouarda; Medjani, Meriem; Bougueria, Hassiba; Djedouani, Amel; Francois, Michelle; Fleutot, Solenne; Boudjada, Ali","2,6-Dibromo-4-methylaniline","IUCrData","2022","7","6","x220577","","10.1107/S2414314622005776","","x-ray","0.71073","MoKα","","0.0446","0.0299","","","0.0663","0.0723","","","","","","0.909","","","","has coordinates,has Fobs","275905","2022-06-08","02:33:26",""
"1567088","8.9639","0.0003","11.1228","0.0003","13.259","0.0004","90","","90","","90","","1321.97","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cl I O2 -","- C13 H14 Cl I O2 -","- C52 H56 Cl4 I4 O8 -","4","1","","Payne, Jenna L.; Deng, Zihang; Flach, Andrew L.; Johnston, Jeffrey N.","Enantioselective iodolactonization to prepare ε-lactone rings using hypervalent iodine","Chemical Science","2022","13","24","7318","7324","10.1039/D2SC01587K","","x-ray","0.71073","MoKα","","0.0362","0.0326","","","0.0608","0.0623","","","","","","1.043","","","","has coordinates","276590","2022-07-06","07:54:28",""
"1567102","7.4535","0.0011","11.5915","0.0016","18.893","0.003","90","","90","","90","","1632.3","0.4","198","140","198","140","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'5-phenyl-2-(pyridin-2-yl)-4-(p-tolyl)oxazole'","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","","Basavaiah, Deevi; Golime, Gangadhararao; Banoth, Shivalal; Todeti, Saidulu","An umpolung strategy for intermolecular [2 + 2 + 1] cycloaddition of aryl aldehydes and nitriles: a facile access to 2,4,5-trisubstituted oxazoles.","Chemical science","2022","13","27","8080","8087","10.1039/d2sc00046f","","","0.71073","MoKα","","0.0772","0.0574","","","0.135","0.1461","","","","","","1.067","","","","has coordinates","277095","2022-08-06","11:39:07",""
"1567156","9.4559","0.0003","16.0249","0.0005","16.2168","0.0005","90","","90","","90","","2457.33","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O5 S -","- C30 H27 N O5 S -","- C120 H108 N4 O20 S4 -","4","1","","Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones","Chemical Science","2022","13","29","8576","8582","10.1039/D2SC02721F","","","1.54178","CuKα","","0.0371","0.0355","","","0.0887","0.0906","","","","","","1.089","","","","has coordinates","277090","2022-08-06","11:37:45",""
"1567157","9.6145","0.0002","18.9746","0.0004","26.9615","0.0006","90","","90","","90","","4918.62","0.18","175","2","175","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H50 N2 O8 S2 -","- C60 H50 N2 O8 S2 -","- C240 H200 N8 O32 S8 -","4","1","","Yang, Liangkun; Li, Wang-Yuren; Hou, Liuzhen; Zhan, Tangyu; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","NickelII-catalyzed asymmetric photoenolization/Mannich reaction of (2-alkylphenyl) ketones","Chemical Science","2022","13","29","8576","8582","10.1039/D2SC02721F","","","1.54178","CuKα","","0.0333","0.0319","","","0.079","0.0812","","","","","","1.039","","","","has coordinates","277090","2022-08-06","11:37:45",""
"1567165","5.247","0.0002","8.2089","0.0002","28.1307","0.0009","90","","90","","90","","1211.65","0.07","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0727","0.0687","","","0.1927","0.1994","","","","","","1.112","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567166","8.796","0.0002","10.4133","0.0002","10.7857","0.0002","90","","90","","90","","987.92","0.03","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0307","0.0298","","","0.0924","0.0941","","","","","","0.877","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567167","5.9107","0.0001","13.8035","0.0003","15.3174","0.0003","90","","90","","90","","1249.72","0.04","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.048","0.0467","","","0.123","0.1242","","","","","","1.0551","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567168","8.6793","0.0001","22.7043","0.0003","11.0413","0.0001","90","","90","","90","","2175.77","0.04","298.23","0.1","298.23","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","","Zhang, Chang-Sheng; Shao, Ya-Ping; Zhang, Fu-Min; Han, Xue; Zhang, Xiao-Ming; Zhang, Kun; Tu, Yong-Qiang","Cu(ii)/SPDO complex catalyzed asymmetric Baeyer-Villiger oxidation of 2-arylcyclobutanones and its application for the total synthesis of eupomatilones 5 and 6.","Chemical science","2022","13","28","8429","8435","10.1039/d2sc02079c","","x-ray","1.54184","CuKα","","0.0393","0.0368","","","0.101","0.1025","","","","","","1.066","","","","has coordinates","277092","2022-08-06","11:38:15",""
"1567191","9.75496","0.00019","13.6686","0.0003","18.7757","0.0004","90","","90","","90","","2503.49","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N3 O3 -","- C29 H27 N3 O3 -","- C116 H108 N12 O12 -","4","1","","Wang, Yue; Li, Er-Qing; Duan, Zheng","Ligand-dependent, palladium-catalyzed stereodivergent synthesis of chiral tetrahydroquinolines.","Chemical science","2022","13","27","8131","8136","10.1039/d2sc02771b","","x-ray","1.54184","CuKα","","0.0622","0.0474","","","0.1211","0.1354","","","","","","1.025","","","","has coordinates","277097","2022-08-06","11:40:54",""
"1567218","8.694","0.002","12.752","0.003","27.613","0.006","90","","90","","90","","3061.3","1.2","","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Di(mu2-chloro)-dichloro-bis(3-N,N-dimethylaminocaran-4-one-oxime)- dicopper(II)","Di(mu2-chloro)-dichloro-bis(4-(dimethylamino)-4,7,7-trimethylbicyclo [4.1.0]heptan-3-one oxime)-dicopper(II)","","- C24 H44 Cl4 Cu2 N4 O2 -","- C24 H2 Cl4 Cu2 N4 O2 -","- C96 H8 Cl16 Cu8 N16 O8 -","4","1","","Larionov, S. V.; Myachina, L. I.; Romanenko, G. V.; Tkachev, A. V.; Sheludyakova, L. A.; Ikorskii, V. N.; Boguslavskii, E. G.","Synthesis, Crystal and Molecular Structures, and Properties of Optically Active Copper(II) Complexes with 3-N,N-Dimethylaminocaran-4-one-oxime","Russian Journal of Coordination Chemistry","2001","27","6","423","432","10.1023/A:1011395910599","","x-ray","","MoKα","","","0.027","","","","0.035","","","","","","","","","","has coordinates","276544","2022-07-04","19:54:51",""
"1567230","13.2602","0.0004","14.244","0.0005","25.4714","0.0007","90","","90","","90","","4811","0.3","170","2","170","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H74 Cl3 F0 N4 O8 S0 Sc -","- C42 H74 Cl3 N4 O8 Sc -","- C168 H296 Cl12 N16 O32 Sc4 -","4","1","","Li, Yi; Xin, Shuang; Weng, Rui; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of Chromanone Lactones via Vinylogous Conjugate Addition of Butenolide to 2-Ester Chromones","Chemical Science","2022","","","","","10.1039/D2SC02541H","","","0.71073","MoKα","","0.0383","0.0331","","","0.0872","0.0913","","","","","","1.034","","","","has coordinates","276576","2022-07-05","22:08:46",""
"1567231","5.2258","0.0005","8.7007","0.0009","22.97","0.002","90","","90","","90","","1044.4","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ala-gly-gly HCl","alanyl-glycyl-glycine hydrochloride","","- C7 H14 Cl N3 O4 -","- C7 H14 Cl N3 O4 -","- C28 H56 Cl4 N12 O16 -","4","1","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.053","0.048","","","0.106","0.109","","","","","","1.05","","","","has coordinates","276577","2022-07-05","22:10:54",""
"1567232","8.0982","0.001","15.8199","0.0014","16.351","0.0014","90","","90","","90","","2094.8","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-[(RS)-(2,3,4,6-tetra-O-acetyl-alpha-D-glucopyranosyl)sulfinyl]propanenitrile","","- C17 H23 N O10 S -","- C17 H23 N O10 S -","- C68 H92 N4 O40 S4 -","4","1","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.0529","0.0379","","","0.0835","0.0914","","","","","","1.026","","","","has coordinates","276577","2022-07-05","22:10:55",""
"1567236","9.1347","0.0003","9.4741","0.0003","18.1026","0.0006","90","","90","","90","","1566.65","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aR,6S,7S,8R,8aS)-7,8-diacetyloxy-6-methylhexahydro-4aH-[1,4]dithiino [2,3b]pyran.","","- C12 H18 O5 S2 -","- C12 H18 O5 S2 -","- C48 H72 O20 S8 -","4","1","","Li, Shao-Chuan; Liu, Caiping; chen, qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qing-Fu; Hong, Maochun","Adaptive coordination assemblies based on a flexible tetraazacyclododecane ligand for promoting carbon dioxide fixation","Chemical Science","2022","","","","","10.1039/D2SC03093D","","","0.71073","MoKα","","0.0479","0.0416","","","0.0964","0.1004","","","","","","0.999","","","","has coordinates","276577","2022-07-05","22:10:56",""
"1567260","6.033","0.001","6.444","0.001","18.345","0.004","90","","90","","90","","713.2","0.2","","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","alpha(Potassium hydrogen phosphonate(III) phosphonic acid solvate)","Caesium phosphite phosphonic acid solvate","","- Cs H5 O6 P2 -","- Cs H5 O6 P2 -","- Cs4 H20 O24 P8 -","4","1","","Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E.","Superacid Univalent Metal Phosphites (MH2PO3)2 · H3PO3 (M = Rb, Tl(I)) and MH2PO3 · H3PO3 (M = K, Cs): Synthesis and Structure","Russian Journal of Coordination Chemistry","2001","27","8","527","536","10.1023/A:1011393810002","","x-ray","","MoKα","","","0.017","","","","0.055","","","","","","","","","","has coordinates","276728","2022-07-07","14:03:41",""
"1567328","6.3989","0.0002","7.1432","0.0002","27.0217","0.0007","90","","90","","90","","1235.12","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Font, Pau; Valdés, Hugo; Guisado-Barrios, Gregorio; Ribas, Xavi","Hemilabile MIC^N ligands allow oxidant-free Au(i)/Au(iii) arylation-lactonization of γ-alkenoic acids","Chemical Science","2022","13","32","9351","9360","10.1039/D2SC01966C","","","0.71073","MoKα","","0.0287","0.0282","","","0.0731","0.0736","","","","","","1.063","","","","has coordinates","277651","2022-09-06","09:51:58",""
"1567339","6.189","0.0004","12.3978","0.0009","26.4025","0.0015","90","","90","","90","","2025.9","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 N2 O -","- C21 H34 N2 O -","- C84 H136 N8 O4 -","4","1","","Pichon-Barré, Delphine; Zhang, Ziyun; Cador, Aël; Vives, Thomas; Roisnel, Thierry; Baslé, Olivier; Jarrige, Lucie; Cavallo, Luigi; Falivene, Laura; Mauduit, Marc","Chiral oxazolidines acting as transient hydroxyalkyl-functionalized N-heterocyclic carbenes: an efficient route to air stable copper and gold complexes for asymmetric catalysis","Chemical Science","2022","","","","","10.1039/D2SC02908A","","x-ray","0.71073","MoKα","","0.0432","0.0406","","","0.1036","0.1051","","","","","","1.067","","","","has coordinates,has disorder","276810","2022-07-22","23:02:38",""
"1567341","9.7764","0.0012","14.6129","0.0018","16.587","0.002","90","","90","","90","","2369.6","0.5","150","","150","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 Au Cl N2 O -","- C21 H34 Au Cl N2 O -","- C84 H136 Au4 Cl4 N8 O4 -","4","1","","Pichon-Barré, Delphine; Zhang, Ziyun; Cador, Aël; Vives, Thomas; Roisnel, Thierry; Baslé, Olivier; Jarrige, Lucie; Cavallo, Luigi; Falivene, Laura; Mauduit, Marc","Chiral oxazolidines acting as transient hydroxyalkyl-functionalized N-heterocyclic carbenes: an efficient route to air stable copper and gold complexes for asymmetric catalysis","Chemical Science","2022","","","","","10.1039/D2SC02908A","","x-ray","0.71073","MoKα","","0.0785","0.0544","","","0.1215","0.1361","","","","","","1.025","","","","has coordinates","276810","2022-07-22","23:02:38",""
"1567397","6.3864","0.0001","7.8416","0.0001","39.8125","0.0007","90","","90","","90","","1993.79","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 O7 P -","- C18 H27 O7 P -","- C72 H108 O28 P4 -","4","1","","Ren, Xinkun; Chandgude, Ajay L.; Carminati, Daniela M.; Shen, Zhuofan; Khare, Sagar D.; Fasan, Rudi","Highly stereoselective and enantiodivergent synthesis of cyclopropylphosphonates with engineered carbene transferases","Chemical Science","2022","13","29","8550","8556","10.1039/D2SC01965E","","x-ray","1.54184","CuKα","","0.0459","0.0432","","","0.109","0.1105","","","","","","1.098","","","","has coordinates","276999","2022-07-29","22:05:19",""
"1567447","9.9788","0.0003","15.3329","0.0005","19.7187","0.0006","90","","90","","90","","3017.04","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H26 B N3 O2 -","- C40 H26 B N3 O2 -","- C160 H104 B4 N12 O8 -","4","1","","van Vliet, Sven; Alachouzos, Georgios; de Vries, Folkert; Pfeifer, Lukas; Feringa, Ben L.","Visible light activated BINOL-derived chiroptical switches based on boron integrated hydrazone complexes","Chemical Science","2022","13","33","9713","9718","10.1039/D2SC03518A","","","1.54178","CuKα","","0.0303","0.0295","","","0.0691","0.0697","","","","","","1.069","","","","has coordinates","277660","2022-09-06","09:57:03",""
"1567473","3.9779","0.0002","12.1736","0.0004","20.4259","0.0007","90","","90","","90","","989.13","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H7 Br S -","- C12 H7 Br S -","- C48 H28 Br4 S4 -","4","1","","Bhandary, Subhrajyoti; Van Deun, Rik; Kaczmarek, Anna Marta; Van Hecke, Kristof","Deformation-induced phosphorescence shift in a 2D elastically flexible organic single crystal: Role of chalcogen-centered weak interactions","Chemical Science","2022","","","","","10.1039/D2SC03729G","","x-ray","1.54184","CuKα","","0.0418","0.0315","","","0.0728","0.0802","","","","","","1.042","","","","has coordinates","277246","2022-08-15","22:07:41",""
"1567475","3.9868","0.0003","12.1976","0.0007","20.447","0.0011","90","","90","","90","","994.33","0.11","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H7 Br S -","- C12 H7 Br S -","- C48 H28 Br4 S4 -","4","1","","Bhandary, Subhrajyoti; Van Deun, Rik; Kaczmarek, Anna Marta; Van Hecke, Kristof","Deformation-induced phosphorescence shift in a 2D elastically flexible organic single crystal: Role of chalcogen-centered weak interactions","Chemical Science","2022","","","","","10.1039/D2SC03729G","","x-ray","1.54184","CuKα","","0.1245","0.1028","","","0.294","0.358","","","","","","1.204","","","","has coordinates","277246","2022-08-15","22:07:41",""
"1567476","15.4863","0.0002","16.5824","0.0003","22.2267","0.0002","90","","90","","90","","5707.82","0.14","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","gc43","","- C62 H49 F12.1 N6 Ni2 O6 -","- C62 H49 F12.099 N6 Ni2 O6 -","- C248 H196 F48.396 N24 Ni8 O24 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","x-ray","1.54184","CuKα","","0.0308","0.0307","","","0.081","0.081","","","","","","1.059","","","","has coordinates,has disorder","277657","2022-09-06","09:56:23",""
"1567478","11.0205","0.0001","13.9185","0.0001","19.0776","0.0002","90","","90","","90","","2926.29","0.05","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","gc79b1f2","","- C31 H25 F7 N3 Ni O3 -","- C31 H25 F7 N3 Ni O3 -","- C124 H100 F28 N12 Ni4 O12 -","4","1","","Delamare, Aline; Naulet, Guillaume; Kauffmann, Brice; Guichard, Gilles; Compain, Guillaume","Hexafluoroisobutylation of enolates through a tandem elimination/allylic shift/hydrofluorination reaction","Chemical Science","2022","13","33","9507","9514","10.1039/D2SC02871A","","","1.54184","CuKα","","0.0309","0.0303","","","0.0812","0.0816","","","","","","1.039","","","","has coordinates,has disorder","277657","2022-09-06","09:56:24",""
"1567487","6.2635","0.0005","11.4411","0.001","20.8675","0.0018","90","","90","","90","","1495.4","0.2","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 S2 -","- C16 H17 N O2 S2 -","- C64 H68 N4 O8 S8 -","4","1","","Lai, Junshan; Reid, Jolene P.","Interrogating the thionium hydrogen bond as a noncovalent stereocontrolling interaction in chiral phosphate catalysis","Chemical Science","2022","13","37","11065","11073","10.1039/D2SC02171D","","x-ray","1.54178","CuKα","","0.0294","0.0262","","","0.0591","0.062","","","","","","1.057","","","","has coordinates","278410","2022-10-07","00:48:56",""
"1567516","9.7178","0.0003","15.2909","0.0005","15.5463","0.0005","90","","90","","90","","2310.09","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","insuetusin A3","","","- C26 H36 O6 -","- C26 H36 O6 -","- C104 H144 O24 -","4","1","","Tang, Jia; Matsuda, Yudai","Discovery of branching meroterpenoid biosynthetic pathways in Aspergillus insuetus: involvement of two terpene cyclases with distinct cyclization modes","Chemical Science","2022","","","","","10.1039/D2SC02994D","","","1.54178","CuKα","","0.0331","0.0324","","","0.089","0.0899","","","","","","1.06","","","","has coordinates","277347","2022-08-22","22:11:22",""
"1567517","8.3273","0.0002","13.7746","0.0003","19.8852","0.0005","90","","90","","90","","2280.94","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","insuetusin A4","","","- C26 H34 O5 -","- C26 H34 O5 -","- C104 H136 O20 -","4","1","","Tang, Jia; Matsuda, Yudai","Discovery of branching meroterpenoid biosynthetic pathways in Aspergillus insuetus: involvement of two terpene cyclases with distinct cyclization modes","Chemical Science","2022","","","","","10.1039/D2SC02994D","","","1.54178","CuKα","","0.0472","0.0438","","","0.1188","0.1217","","","","","","1.077","","","","has coordinates","277347","2022-08-22","22:11:23",""
"1567518","8.253","0.0003","12.0228","0.0004","23.2817","0.0007","90","","90","","90","","2310.11","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","insuetusin A2","","","- C26 H36 O5 -","- C26 H36 O5 -","- C104 H144 O20 -","4","1","","Tang, Jia; Matsuda, Yudai","Discovery of branching meroterpenoid biosynthetic pathways in Aspergillus insuetus: involvement of two terpene cyclases with distinct cyclization modes","Chemical Science","2022","","","","","10.1039/D2SC02994D","","","1.54178","CuKα","","0.0292","0.0289","","","0.0796","0.08","","","","","","1.037","","","","has coordinates","277347","2022-08-22","22:11:23",""
"1567519","7.5943","0.0003","14.3966","0.0005","21.25","0.0008","90","","90","","90","","2323.31","0.15","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","insuetusin B3","","","- C26 H40 O5 -","- C26 H40 O5 -","- C104 H160 O20 -","4","1","","Tang, Jia; Matsuda, Yudai","Discovery of branching meroterpenoid biosynthetic pathways in Aspergillus insuetus: involvement of two terpene cyclases with distinct cyclization modes","Chemical Science","2022","","","","","10.1039/D2SC02994D","","","1.54178","CuKα","","0.0349","0.0328","","","0.0855","0.0866","","","","","","1.08","","","","has coordinates","277347","2022-08-22","22:11:23",""
"1567523","13.1998","0.0004","18.0969","0.0005","24.5076","0.0008","90","","90","","90","","5854.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H72 P4 Rh2 -","- C68 H72 P4 Rh2 -","- C272 H288 P16 Rh8 -","4","1","","Som, Salina; Choi, Jongwook; Katsoulis, Dimitris; Lee, Kangsang L.","Direct Method to Access Various Functional Arylalkoxysilanes by Rh-catalysed Intermolecular C–H Silylation of Alkoxysilane","Chemical Science","2022","","","","","10.1039/D2SC03727K","","","0.71073","MoKα","","0.0841","0.0427","","","0.0776","0.0912","","","","","","0.701","","","","has coordinates","277359","2022-08-23","22:07:27",""
"1567524","10.8094","0.0003","22.1084","0.0005","24.464","0.0005","90","","90","","90","","5846.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36.5 Cl0.5 P2 Rh -","- C34 H36.5 Cl0.5 P2 Rh -","- C272 H292 Cl4 P16 Rh8 -","8","2","","Som, Salina; Choi, Jongwook; Katsoulis, Dimitris; Lee, Kangsang L.","Direct Method to Access Various Functional Arylalkoxysilanes by Rh-catalysed Intermolecular C–H Silylation of Alkoxysilane","Chemical Science","2022","","","","","10.1039/D2SC03727K","","","0.71073","MoKα","","0.0288","0.0248","","","0.0566","0.0627","","","","","","1.071","","","","has coordinates,has disorder","277359","2022-08-23","22:07:27",""
"1567565","15.083","0.003","17.018","0.003","24.513","0.005","90","","90","","90","","6292","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H101 Cl N4 O5 U -","- C62 H101 Cl N4 O5 U -","- C248 H404 Cl4 N16 O20 U4 -","4","1","","Löffler, Sascha T.; Hümmer, Julian; Scheurer, Andreas; Heinemann, Frank W.; Meyer, Karsten","Unprecedented pairs of uranium (iv/v) hydroxido and (iv/v/vi) oxido complexes supported by a seven-coordinate cyclen-anchored tris-aryloxide ligand","Chemical Science","2022","","","","","10.1039/D2SC02736D","","","0.71073","MoKα","","0.0679","0.0493","","","0.1192","0.1308","","","","","","1.109","","","","has coordinates,has disorder","277604","2022-09-02","22:16:59",""
"1567702","7.9494","0.0001","10.2838","0.0001","24.4594","0.0003","90","","90","","90","","1999.56","0.04","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","1","","Li, Wendeng; Zhang, He; Chen, Kai; Jiang, Huanfeng; Sun, Jianwei; Zhu, Shifa","Palladium-catalyzed intramolecular enantioselective C(sp3)–H insertion of donor/donor carbenes","Chemical Science","2022","13","42","12396","12402","10.1039/D2SC03524C","","x-ray","1.54184","CuKα","","0.0369","0.0349","","","0.0923","0.0935","","","","","","0.986","","","","has coordinates","278977","2022-11-07","05:19:38",""
"1567705","6.444","0.0008","8.3645","0.0011","24.703","0.003","90","","90","","90","","1331.5","0.3","100","","100","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Stegbauer, Simone; Jandl, Christian; Bach, Thorsten","Chiral Lewis acid catalysis in a visible light-triggered cycloaddition/rearrangement cascade","Chemical Science","2022","","","","","10.1039/D2SC03159K","","x-ray","0.71073","MoKα","","0.0396","0.0364","","","0.0871","0.0888","","","","","","1.111","","","","has coordinates","278327","2022-10-03","22:04:24",""
"1567707","6.4656","0.0002","13.7036","0.0005","17.0877","0.0007","90","","90","","90","","1514","0.1","100","","100","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O2 S -","- C19 H20 O2 S -","- C76 H80 O8 S4 -","4","1","","Stegbauer, Simone; Jandl, Christian; Bach, Thorsten","Chiral Lewis acid catalysis in a visible light-triggered cycloaddition/rearrangement cascade","Chemical Science","2022","","","","","10.1039/D2SC03159K","","x-ray","0.71073","MoKα","","0.0273","0.0263","","","0.0648","0.0654","","","","","","1.093","","","","has coordinates","278327","2022-10-03","22:04:25",""
"1567718","5.7822","0.0003","12.3852","0.0006","27.1093","0.0014","90","","90","","90","","1941.4","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cl N3 O2 -","- C23 H18 Cl N3 O2 -","- C92 H72 Cl4 N12 O8 -","4","1","","Dasgupta, Ayan; Guerzoni, Michael G.; Alotaibi, Nusaybah; van Ingen, Yara; Farshadfar, Kaveh; Richards, Emma; Ariafard, Alireza; Melen, Rebecca L.","Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids","Catalysis Science & Technology","2022","12","19","5982","5990","10.1039/D2CY01441F","","","1.54178","CuKα","","0.0764","0.0667","","","0.1709","0.1829","","","","","","1.027","","","","has coordinates","278331","2022-10-04","19:59:26",""
"1567721","18.8119","0.0002","27.697","0.0002","31.3398","0.0003","90","","90","","90","","16329.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C148 H108 Au8 O10 P6 S2 -","- C148 H108 Au8 O10 P6 S2 -","- C592 H432 Au32 O40 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54184","CuKα","","0.0918","0.0815","","","0.2257","0.2437","","","","","","1.076","","","","has coordinates","278357","2022-10-05","06:09:11",""
"1567722","20.5564","0.0014","25.7288","0.0016","26.0976","0.0017","90","","90","","90","","13802.8","1.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C146 H104 Au8 O4 P6 S2 -","- C146 H104 Au8 O4 P6 S2 -","- C584 H416 Au32 O16 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54178","CuKα","","0.0479","0.0457","","","0.1107","0.1122","","","","","","1.021","","","","has coordinates","278357","2022-10-05","06:09:12",""
"1567723","18.4744","0.0002","27.7085","0.0003","31.2344","0.0003","90","","90","","90","","15988.8","0.3","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C148 H108 Au8 O10 P6 S2 -","- C148 H108 Au8 O10 P6 S2 -","- C592 H432 Au32 O40 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54184","CuKα","","0.0882","0.0672","","","0.1685","0.1881","","","","","","1.054","","","","has coordinates","278357","2022-10-05","06:09:12",""
"1567724","20.333","0.005","25.812","0.005","26.048","0.005","90","","90","","90","","13671","5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C146 H104 Au8 O4 P6 S2 -","- C146 H104 Au8 O4 P6 S2 -","- C584 H416 Au32 O16 P24 S8 -","4","1","","Si, Wei-Dan; Sheng, Kai; Zhang, Chengkai; Wang, Zhi; Zhang, Shan-Shan; Dou, Jian-Min; Feng, Lei; Gao, Zhi-Yong; Tung, Chen-Ho; Sun, Di","Bicarbonate insertion triggered self-assembly of chiral octa-gold nanoclusters into helical superstructures in the crystalline state","Chemical Science","2022","13","35","10523","10531","10.1039/D2SC03463H","","x-ray","1.54178","CuKα","","0.0403","0.0366","","","0.0888","0.0903","","","","","","1.049","","","","has coordinates","278357","2022-10-05","06:09:12",""
"1567758","7.5543","0.0001","10.058","0.0001","28.1125","0.0002","90","","90","","90","","2136.02","0.04","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 F O4 S2 -","- C23 H21 F O4 S2 -","- C92 H84 F4 O16 S8 -","4","1","","Liao, Ling; Zhang, Ying; Wu, Zhong-Wei; Ye, Zhong-Tian; Zhang, Xue-Xin; Chen, Guangying; Yu, Jin-Sheng","Nickel-catalyzed regio- and enantio-selective Markovnikov hydromonofluoroalkylation of 1,3-dienes","Chemical Science","2022","13","42","12519","12526","10.1039/D2SC03958C","","x-ray","1.54184","CuKα","","0.0223","0.0223","","","0.0585","0.0586","","","","","","1.097","","","","has coordinates","278974","2022-11-07","05:16:06",""
"1567775","7.7082","0.0003","12.0888","0.0005","12.3892","0.0005","90","","90","","90","","1154.46","0.08","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","","Guan, Fujun; Zhou, Rong; Ren, Xiaoyu; Guo, Zhen; Wang, Chengming; Zhou, Cong-Ying","Asymmetric dearomative cyclopropanation of naphthalenes to construct polycyclic compounds.","Chemical science","2022","13","44","13015","13019","10.1039/d2sc04509e","","x-ray","1.54178","CuKα","","0.025","0.0248","","","0.0639","0.0642","","","","","","1.078","","","","has coordinates","280165","2023-01-06","09:34:32",""
"1567776","7.0572","0.0006","10.6743","0.0007","15.6753","0.0012","90","","90","","90","","1180.83","0.16","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O2 -","- C15 H13 Br O2 -","- C60 H52 Br4 O8 -","4","1","","Guan, Fujun; Zhou, Rong; Ren, Xiaoyu; Guo, Zhen; Wang, Chengming; Zhou, Cong-Ying","Asymmetric dearomative cyclopropanation of naphthalenes to construct polycyclic compounds.","Chemical science","2022","13","44","13015","13019","10.1039/d2sc04509e","","x-ray","1.54178","CuKα","","0.031","0.0309","","","0.0781","0.0781","","","","","","1.089","","","","has coordinates","280165","2023-01-06","09:34:32",""
"1567786","5.60939","0.0001","10.26643","0.00019","22.2551","0.0004","90","","90","","90","","1281.64","0.04","99.97","0.1","99.97","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Tian, Peilin; Ye, Wenkang; Zhang, Xiayan; Tong, Yi; Qian, Pei-Yuan; Tong, Rongbiao","Ten-step asymmetric total syntheses of potent antibiotics anthracimycin and anthracimycin B.","Chemical science","2022","13","43","12776","12781","10.1039/d2sc05049h","","x-ray","1.54184","CuKα","","0.0351","0.0348","","","0.091","0.0912","","","","","","1.057","","","","has coordinates","280169","2023-01-06","09:35:42",""
"1567787","5.5419","0.0002","15.3789","0.0005","25.7913","0.0008","90","","90","","90","","2198.15","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C100 H128 O16 -","4","1","","Tian, Peilin; Ye, Wenkang; Zhang, Xiayan; Tong, Yi; Qian, Pei-Yuan; Tong, Rongbiao","Ten-step asymmetric total syntheses of potent antibiotics anthracimycin and anthracimycin B.","Chemical science","2022","13","43","12776","12781","10.1039/d2sc05049h","","x-ray","1.54184","CuKα","","0.0797","0.0709","","","0.1844","0.1917","","","","","","1.063","","","","has coordinates","280169","2023-01-06","09:35:43",""
"1567871","8.7486","0.0006","19.3141","0.0012","43.739","0.003","90","","90","","90","","7390.6","0.9","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 Cl2 N2 O3 Ru -","- C35 H44 Cl2 N2 O3 Ru -","- C280 H352 Cl16 N16 O24 Ru8 -","8","2","","Morvan, Jennifer; Vermersch, François; Lorkowski, Jan; Talcik, Jakub; Vives, Thomas; Roisnel, Thierry; Crévisy, Christophe; Vanthuyne, Nicolas; Bertrand, Guy; Jazzar, Rodolphe; Mauduit, Marc","Cyclic(alkyl)(amino)carbene ruthenium complexes for Z-stereoselective (asymmetric) olefin metathesis","Catalysis Science & Technology","2023","13","2","381","388","10.1039/D2CY01795D","","x-ray","0.71073","MoKα","","0.1072","0.0768","","","0.1562","0.1668","","","","","","1.039","","","","has coordinates","281311","2023-03-04","17:35:34",""
"1567874","5.36257","0.00003","8.48172","0.00005","27.61854","0.00018","90","","90","","90","","1256.2","0.013","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F3 N O3 -","- C13 H14 F3 N O3 -","- C52 H56 F12 N4 O12 -","4","1","","McMillan, Angus E.; Wu, Wilson W. X.; Nichols, Paula L.; Wanner, Benedikt M.; Bode, Jeffrey W.","A Vending Machine for Drug-like Molecules - Automated Synthesis of Virtual Screening Hits","Chemical Science","2022","","","","","10.1039/D2SC05182F","","x-ray","1.54184","CuKα","","0.0271","0.0268","","","0.0694","0.0696","","","","","","1.069","","","","has coordinates","278865","2022-10-29","08:24:09",""
"1567893","6.379","0.002","8.631","0.002","13.67","0.002","90","","90","","90","","752.6","0.3","","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cesium sodium molybdate Dihydrate","","- Cs H4 Mo Na O6 -","- Cs H4 Mo Na O6 -","- Cs4 H16 Mo4 Na4 O24 -","4","1","","Makitova, D. D.; Tkachev, V. V.; Chekhlov, A. N.","Crystal Structure of Cesium-Sodium Molybdate Dihydrate","Russian Journal of Coordination Chemistry","2003","29","3","163","165","10.1023/A:1022871428397","","x-ray","","MoKα","","","0.021","","","","0.066","","","","","","","","","","has coordinates","278924","2022-11-03","21:14:07",""
"1567954","12.62782","0.0001","17.78901","0.00012","18.10483","0.00013","90","","90","","90","","4067","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H63 Cl5 P2 Pd -","- C38 H63 Cl5 P2 Pd -","- C152 H252 Cl20 P8 Pd4 -","4","1","","Rodstein, Ilja; Kelling, Leif; Löffler, Julian; Scherpf, Thorsten; Sarbajna, Abir; Andrada, Diego M.; Gessner, Viktoria H.","Formation of exceptional monomeric YPhos–PdCl2 complexes with high activities in coupling reactions","Chemical Science","2022","","","","","10.1039/D2SC04523K","","","1.54184","CuKα","","0.0203","0.0197","","","0.052","0.0522","","","","","","1.073","","","","has coordinates","279215","2022-11-10","23:16:22",""
"1567963","16.6132","0.0006","18.7606","0.0012","32.1149","0.0013","90","","90","","90","","10009.4","0.8","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C154.4 H88.4 Cl1.2 N2 -","- C154.4 H88.4 Cl1.2 N2 -","- C617.6 H353.6 Cl4.8 N8 -","4","1","","Deng, Han; Guo, Zilong; Wang, Yaxin; Li, Ke; Zhou, Qin; Ge, Chang; Xu, Zhanqiang; Sato, Sota; Ma, Xiaonan; Sun, Zhe","Modular Synthesis, Host-Guest Complexation and Solvation-Controlled Relaxation of Nanohoops with Donor-Acceptor Structures","Chemical Science","2022","","","","","10.1039/D2SC05804A","","","1.54184","CuKα","","0.1498","0.0742","","","0.1687","0.2103","","","","","","0.976","","","","has coordinates,has disorder","279216","2022-11-10","23:17:36",""
"1567986","9.7893","0.0005","10.0252","0.0007","10.2988","0.0006","90","","90","","90","","1010.72","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H9 N5 O2 Zn -","- C8 H9 N5 O2 Zn -","- C32 H36 N20 O8 Zn4 -","4","1","","Liu, Hui; Ren, Dan-Dan; Gao, Peng-Fu; Zhang, Kun; Wu, Ya-Pan; Fu, Hong-Ru; Ma, Lu-Fang","Multicolor-tunable room-temperature afterglow and circularly polarized luminescence in chirality-induced coordination assemblies","Chemical Science","2022","","","","","10.1039/D2SC05353E","","x-ray","0.71073","MoKα","","0.037","0.0332","","","0.0605","0.0631","","","","","","1.061","","","","has coordinates","279367","2022-11-17","23:09:27",""
"1567988","9.7703","0.0009","9.9768","0.001","10.6503","0.0009","90","","90","","90","","1038.15","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","PL134","","- C8 H9 N5 O2 Zn -","- C8 H9 N5 O2 Zn -","- C32 H36 N20 O8 Zn4 -","4","1","","Liu, Hui; Ren, Dan-Dan; Gao, Peng-Fu; Zhang, Kun; Wu, Ya-Pan; Fu, Hong-Ru; Ma, Lu-Fang","Multicolor-tunable room-temperature afterglow and circularly polarized luminescence in chirality-induced coordination assemblies","Chemical Science","2022","","","","","10.1039/D2SC05353E","","x-ray","0.71073","MoKα","","0.0391","0.0359","","","0.0698","0.0724","","","","","","1.061","","","","has coordinates","279367","2022-11-17","23:09:28",""
"1567989","12.4827","0.0002","16.0047","0.0003","4.74526","0.00007","90","","90","","90","","948.02","0.03","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GAG","Gly-Ala-Gly","","- C7 H13 N3 O4 -","- C7 H13 N3 O4 -","- C28 H52 N12 O16 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.00813","1.395","","","","","","","has coordinates","281617","2023-03-04","18:49:54",""
"1567990","17.1256","0.0002","12.9078","0.0002","4.75585","0.00007","90","","90","","90","","1051.3","0.03","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GDG","Gly-asp-Gly","","- C8 H13 N3 O6 -","- C8 H13 N3 O6 -","- C32 H52 N12 O24 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01072","1.343","","","","","","","has coordinates","281617","2023-03-04","18:49:55",""
"1567992","4.89638","0.00018","9.6784","0.0003","28.5374","0.0009","90","","90","","90","","1352.36","0.08","298","2","298","","100","","100","","","","Drexel University","4","P 21 21 21","P 2ac 2ab","19","GYG","Gly-Ala-Gly","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","","Thursch, Lavenia J.; Lima, Thamires A.; O'Neill, Nichole; Ferreira, Fabio F.; Schweitzer-Stenner, Reinhard; Alvarez, Nicolas J.","Influence of central sidechain on self-assembly of glycine-x-glycine peptides.","Soft matter","2023","19","3","394","409","10.1039/d2sm01082h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.01057","2.099","","","","","","","has coordinates","281617","2023-03-04","18:49:55",""
"1568016","14.6467","0.0011","14.7349","0.0012","18.2076","0.0014","90","","90","","90","","3929.5","0.5","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22.31 H21.62 Cl0.62 N3 O2 -","- C22.3114 H21.6228 Cl0.6228 N3 O2 -","- C178.491 H172.982 Cl4.9824 N24 O16 -","8","2","","Luo, Mu-Peng; Gu, Yi-Jie; Wang, Shou-Guo","Photocatalytic enantioselective Minisci reaction of β-carbolines and application to natural product synthesis.","Chemical science","2023","14","2","251","256","10.1039/d2sc05313f","","x-ray","1.34138","GaKα","","0.0385","0.0364","","","0.1036","0.1048","","","","","","1.045","","","","has coordinates,has disorder","281364","2023-03-04","17:54:17",""
"1568034","9.7229","0.0006","11.8712","0.0008","15.4592","0.001","90","","90","","90","","1784.3","0.2","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 B Br F4 N4 O -","- C17 H16 B Br F4 N4 O -","- C68 H64 B4 Br4 F16 N16 O4 -","4","1","","Duan, Zhuan; Young, Claire M.; Zhu, Jiayun; Slawin, Alexandra M. Z.; O'Donoghue, AnnMarie C; Smith, Andrew D.","Rate and equilibrium constants for the addition of triazolium salt derived N-heterocyclic carbenes to heteroaromatic aldehydes.","Chemical science","2022","14","1","162","170","10.1039/d2sc05704b","","","0.71075","MoKα","","0.0482","0.0301","","","0.0587","0.0626","","","","","","0.973","","","","has coordinates","281337","2023-03-04","17:46:09",""
"1568041","7.6531","0.0005","10.1518","0.0007","18.1461","0.0013","90","","90","","90","","1409.82","0.17","219","","219","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O3 S -","- C16 H14 O3 S -","- C64 H56 O12 S4 -","4","1","","Kong, Lingheng; Zou, Yun; Li, Xiao-Xi; Zhang, Xue-Peng; Li, Xingwei","Rhodium-catalyzed enantioselective C-H alkynylation of sulfoxides in diverse patterns: desymmetrization, kinetic resolution, and parallel kinetic resolution.","Chemical science","2023","14","2","317","322","10.1039/d2sc05310a","","","1.54178","CuKα","","0.0242","0.0233","","","0.0611","0.0617","","","","","","1.091","","","","has coordinates","281366","2023-03-04","17:55:12",""
"1568042","7.6856","0.0003","10.0965","0.0004","18.0404","0.0008","90","","90","","90","","1399.89","0.1","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","Kong, Lingheng; Zou, Yun; Li, Xiao-Xi; Zhang, Xue-Peng; Li, Xingwei","Rhodium-catalyzed enantioselective C-H alkynylation of sulfoxides in diverse patterns: desymmetrization, kinetic resolution, and parallel kinetic resolution.","Chemical science","2023","14","2","317","322","10.1039/d2sc05310a","","","0.71073","MoKα","","0.0358","0.0342","","","0.0863","0.0877","","","","","","1.076","","","","has coordinates","281366","2023-03-04","17:55:12",""
"1568174","13.6884","0.0007","17.0653","0.001","28.5141","0.0013","90","","90","","90","","6660.8","0.6","302","2","302","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H56 O22 P2 -","- C70 H56 O22 P2 -","- C280 H224 O88 P8 -","4","1","","Jiang, Yixuan; Huang, Zeng; Tian, Jun; Dong, Xin; Yu, Xiao-Qi; Yu, Shanshan","A chiral BINOL-based supramolecular gel enabling sensitive enantioselective and chemoselective collapse toward histidine.","Soft matter","2023","19","3","430","435","10.1039/d2sm01424f","","","0.71073","MoKα","","0.1117","0.0561","","","0.1216","0.148","","","","","","1.016","","","","has coordinates","281618","2023-03-04","18:50:05",""
"1568183","13.1281","0.0009","16.9849","0.0016","18.645","0.001","90","","90","","90","","4157.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H68 B2 Li2 O6 -","- C40 H68 B2 Li2 O6 -","- C160 H272 B8 Li8 O24 -","4","1","","Prey, Sven E.; Herok, Christoph; Fantuzzi, Felipe; Bolte, Michael; Lerner, Hans-Wolfram; Engels, Bernd; Wagner, Matthias","Multifaceted behavior of a doubly reduced arylborane in B-H-bond activation and hydroboration catalysis.","Chemical science","2023","14","4","849","860","10.1039/d2sc05518j","","","0.71073","MoKα","","0.1151","0.0711","","","0.1496","0.1694","","","","","","1.053","","","","has coordinates,has disorder","281359","2023-03-04","17:52:44",""
"1568191","6.24","0.0003","7.3164","0.0004","17.7083","0.0008","90","","90","","90","","808.46","0.07","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 O2 S2 -","- C7 H8 O2 S2 -","- C28 H32 O8 S8 -","4","1","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","0.71073","MoKα","","0.0382","0.0328","","","0.0673","0.0692","","","","","","1.094","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568193","6.0382","0.0002","6.9857","0.0002","18.8158","0.0006","90","","90","","90","","793.67","0.04","150","2","149.9","0.6","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 O3 S -","- C7 H10 O3 S -","- C28 H40 O12 S4 -","4","1","","Hardy, Craig; Kociok-Köhn, Gabriele; Buchard, Antoine","Variations around the presence and position of sulfur in sugar-derived cyclic monomers: influence on polymerisation thermodynamics, polymer sequence and thermal properties","Polymer Chemistry","2023","14","5","623","632","10.1039/D2PY01366E","","x-ray","0.71073","MoKα","","0.0248","0.0242","","","0.0643","0.0648","","","","","","1.087","","","","has coordinates","281606","2023-03-04","18:47:03",""
"1568267","8.7024","0.0003","13.0704","0.0005","18.7294","0.0007","90","","90","","90","","2130.35","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 F O3 -","- C26 H23 F O3 -","- C104 H92 F4 O12 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","1.54178","CuKα","","0.0281","0.0273","","","0.0668","0.0674","","","","","","1.074","","","","has coordinates","281379","2023-03-04","17:59:37",""
"1568269","11.4334","0.0007","13.0191","0.0008","41.707","0.003","90","","90","","90","","6208.2","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H92 Cl2 Co N4 O15 -","- C57 H92 Cl2 Co N4 O15 -","- C228 H368 Cl8 Co4 N16 O60 -","4","1","","Wang, Siyuan; Zhou, Yuqiao; Xiao, Wanlong; Li, Zegong; Liu, Xiaohua; Feng, Xiaoming","Asymmetric synthesis of complex tricyclo[3.2.2.0]nonenes from racemic norcaradienes: kinetic resolution <i>via</i> Diels-Alder reaction.","Chemical science","2023","14","7","1844","1851","10.1039/d2sc06490a","","","0.71073","MoKα","","0.0463","0.04","","","0.1012","0.1059","","","","","","1.05","","","","has coordinates,has disorder","281379","2023-03-04","17:59:37",""
"1568281","8.7448","0.0003","12.1996","0.0005","23.9382","0.001","90","","90","","90","","2553.8","0.17","301","2","301","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0727","0.0389","","","0.0801","0.0915","","","","","","1.008","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568282","7.9263","0.0006","10.6732","0.0011","31.221","0.003","90","","90","","90","","2641.3","0.4","300","2","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 N O3 S -","- C32 H27 N O3 S -","- C128 H108 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.1072","0.0493","","","0.0937","0.1168","","","","","","1.023","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568283","11.0546","0.0003","11.54205","0.00018","18.2492","0.0004","90","","90","","90","","2328.47","0.09","292.9","0.1","292.9","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C112 H100 N4 O12 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","x-ray","1.54184","CuKα","","0.0596","0.0564","","","0.1522","0.159","","","","","","1.049","","","","has coordinates","281378","2023-03-04","17:59:11",""
"1568286","11.084","0.0012","11.2741","0.001","27.234","0.003","90","","90","","90","","3403.2","0.6","161","2","161","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 I N O4 S -","- C33 H28 I N O4 S -","- C132 H112 I4 N4 O16 S4 -","4","1","","Hu, Yuan; Huang, Jin-Yu; Yan, Ru-Jie; Chen, Zhi-Chao; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Diastereodivergent <i>cis</i>- and <i>trans</i>-fused [4 + 2] annulations of cyclic 1,3-dienes and 1-azadienes <i>via</i> ligand-controlled palladium catalysis.","Chemical science","2023","14","7","1896","1901","10.1039/d2sc06813c","","","0.71073","MoKα","","0.0555","0.0401","","","0.099","0.1024","","","","","","1.653","","","","has coordinates","281378","2023-03-04","17:59:12",""
"1568298","16.8365","0.0011","18.0784","0.0013","20.746","0.0012","90","","90","","90","","6314.6","0.7","110.15","","110.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 F14 Fe6 N6 O20 -","- C36 H50 F14 Fe6 N6 O20 -","- C144 H200 F56 Fe24 N24 O80 -","4","1","","Gu, Yi-Ming; Yuan, You-You; Chen, Cai-Lin; Zhao, Sheng-Sheng; Sun, Tian-Jun; Han, Yu; Liu, Xiao-Wei; Lai, Zhiping; Wang, Shu-Dong","Fluorido-bridged robust metal-organic frameworks for efficient C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> separation under moist conditions.","Chemical science","2023","14","6","1472","1478","10.1039/d2sc06699h","","x-ray","0.71073","MoKα","","0.1092","0.0668","","","0.1487","0.1689","","","","","","1.034","","","","has coordinates","281371","2023-03-04","17:56:25",""
"1568331","14.8529","0.0012","20.5937","0.0018","5.5853","0.0005","90","","90","","90","","1708.4","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C80 H76 N4 O20 -","4","1","","d’Aleman, Antoine; Gayraud, Oscar; Fressigné, Catherine; Petit, Emilie; Bailly, Laetitia; Maddaluno, Jacques; De Paolis, Michaël","Organocatalyzed enantio- and diastereoselective isomerization of prochiral 1,3-cyclohexanediones into nonalactones bearing distant stereocenters","Chemical Science","2023","14","8","2107","2113","10.1039/D2SC06842G","","","0.71073","MoKα","","0.0378","0.0364","","","0.0916","0.0925","","","","","","1.081","","","","has coordinates","282621","2023-04-13","12:20:29",""
"1568363","9.2307","0.0001","9.6375","0.0001","16.6863","0.0001","90","","90","","90","","1484.43","0.02","100","2","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 F2 N2 O4 S2 -","- C10 H20 F2 N2 O4 S2 -","- C40 H80 F8 N8 O16 S8 -","4","1","","Bejaoui, Younes K. J.; Philippi, Frederik; Stammler, Hans-Georg; Radacki, Krzysztof; Zapf, Ludwig; Schopper, Nils; Goloviznina, Kateryna; Maibom, Kristina A. M.; Graf, Roland; Sprenger, Jan A. P.; Bertermann, Rüdiger; Braunschweig, Holger; Welton, Tom; Ignat'ev, Nikolai V.; Finze, Maik","Insights into structure-property relationships in ionic liquids using cyclic perfluoroalkylsulfonylimides.","Chemical science","2023","14","8","2200","2214","10.1039/d2sc06758g","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0713","0.0718","","","","","","1.063","","","","has coordinates","283153","2023-05-05","00:55:59",""
"1568383","12.158","0.001","17.5241","0.0008","19.0088","0.0015","90","","90","","90","","4050","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H68 K N O4 P2 Ru -","- C36 H68 K N O4 P2 Ru -","- C144 H272 K4 N4 O16 P8 Ru4 -","4","1","","Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T.","Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity","Catalysis Science & Technology","2023","13","5","1358","1368","10.1039/D2CY01349E","","","0.71073","MoKα","","0.0669","0.0449","","","0.0849","0.0924","","","","","","1.132","","","","has coordinates,has disorder","282244","2023-04-04","09:28:13",""
"1568421","9.9368","0.0002","17.0962","0.0003","17.1478","0.0003","90","","90","","90","","2913.09","0.09","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl3 N3 O5 -","- C31 H26 Cl3 N3 O5 -","- C124 H104 Cl12 N12 O20 -","4","1","","Chen, Pengquan; Lv, Mei-Jun; Cheng, Jun Kee; Xiang, Shao-Hua; Ren, Xiang-Zhong; Zhang, Junmin; Tan, Bin","Enantioselective construction of triaryl-substituted all-carbon quaternary stereocenters via organocatalytic arylation of oxindoles with azonaphthalenes","Chemical Science","2023","14","9","2330","2335","10.1039/D2SC07103G","","x-ray","1.54178","CuKα","","0.0187","0.0184","","","0.0464","0.0465","","","","","","1.056","","","","has coordinates","281391","2023-03-04","18:02:23",""
"1568422","7.4828","0.0003","18.3087","0.0007","18.4701","0.0007","90","","90","","90","","2530.41","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N3 O2 S -","- C27 H24 F3 N3 O2 S -","- C108 H96 F12 N12 O8 S4 -","4","1","","Nilova, Aleksandra; Mannchen, Michael D.; Noel, Abdias N.; Semenova, Evgeniya; Grenning, Alexander J.","Vicinal stereocenters <i>via</i> asymmetric allylic alkylation and Cope rearrangement: a straightforward route to functionally and stereochemically rich heterocycles.","Chemical science","2023","14","10","2755","2762","10.1039/d2sc07021a","","","0.71073","MoKα","","0.0491","0.037","","","0.1009","0.1096","","","","","","1.043","","","","has coordinates,has disorder","282283","2023-04-04","09:54:41",""
"1568426","9.7129","0.0004","11.885","0.0004","24.9669","0.0009","90","","90","","90","","2882.12","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 O2 P Pd S -","- C34 H31 O2 P Pd S -","- C136 H124 O8 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0173","0.0163","","","0.0389","0.0392","","","","","","1.086","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568427","9.6976","0.0005","11.8942","0.0007","24.9749","0.0015","90","","90","","90","","2880.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 O2 P Pd S -","- C34 H31 O2 P Pd S -","- C136 H124 O8 P4 Pd4 S4 -","4","1","","Naksomboon, Kananat; Gómez-Bengoa, Enrique; Mehara, Jaya; Roithová, Jana; Otten, Edwin; Fernández-Ibáñez, M. Ángeles","Mechanistic studies of the palladium-catalyzed S,O-ligand promoted C–H olefination of aromatic compounds","Chemical Science","2023","14","11","2943","2953","10.1039/D2SC06840K","","","0.71073","MoKα","","0.0164","0.0155","","","0.038","0.0385","","","","","","1.085","","","","has coordinates","282621","2023-04-13","12:20:30",""
"1568446","8.3434","0.0002","9.5869","0.0003","25.257","0.0006","90","","90","","90","","2020.24","0.09","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O2 S -","- C24 H23 N O2 S -","- C96 H92 N4 O8 S4 -","4","1","","Liu, Xin-Lian; Lin, Han-Ze; Tan, Lu-Qi; Peng, Jin-Bao","Palladium- and Brønsted acid-catalyzed enantio-, site- and E/Z-selective addition of alkylidenecyclopropanes with imines","Chemical Science","2023","14","9","2348","2352","10.1039/D2SC05674G","","x-ray","1.54184","CuKα","","0.0387","0.0376","","","0.0931","0.0937","","","","","","1.071","","","","has coordinates","281386","2023-03-04","18:01:40",""
"1568461","3.9473","0.0002","11.3841","0.0005","32.7877","0.0016","90","","90","","90","","1473.36","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O2 S2 -","- C17 H16 O2 S2 -","- C68 H64 O8 S8 -","4","1","","Mang, André; Rotthowe, Nils; Beltako, Katawoura; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.","Single-molecule conductance studies on quasi- and metallaaromatic dibenzoylmethane coordination compounds and their aromatic analogs.","Nanoscale","2023","15","11","5305","5316","10.1039/d2nr05670d","","","0.71073","MoKα","","0.0521","0.0395","","","0.0931","0.1134","","","","","","1.118","","","","has coordinates","283372","2023-05-05","02:51:10",""
"1568469","8.8305","0.0014","12.0231","0.0019","16.87","0.003","90","","90","","90","","1791.1","0.5","298.15","","298.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Al N2 -","- C18 H25 Al N2 -","- C72 H100 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.1579","0.0567","","","0.1001","0.1251","","","","","","1.002","","","","has coordinates","281605","2023-03-04","18:46:54",""
"1568472","8.0744","0.0004","12.6305","0.0008","18.8429","0.0011","90","","90","","90","","1921.67","0.19","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Al N2 -","- C19 H27 Al N2 -","- C76 H108 Al4 N8 -","4","1","","Tang, Jian; Xu, Zijian; Liu, Zelong; Fu, Yuan; Hua, Jing","Pyridine-amido aluminum catalyst precursors for 1,3-butadiene transition-metal-free stereospecific polymerization","Polymer Chemistry","2023","14","8","980","989","10.1039/D2PY01093C","","x-ray","0.71073","MoKα","","0.0853","0.0504","","","0.1168","0.1332","","","","","","1.03","","","","has coordinates","281605","2023-03-04","18:46:54",""
"1568489","9.7606","0.0001","10.331","0.0001","21.9651","0.0003","90","","90","","90","","2214.89","0.04","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N3 O2 -","- C27 H25 N3 O2 -","- C108 H100 N12 O8 -","4","1","","Li, Kuan; Zhen, Shuo; Wang, Wang; Du, Juan; Yu, Songcheng; Wu, Yongjun; Guo, Hongchao","Fungicide-inspired precursors of π-allylpalladium intermediates for palladium-catalyzed decarboxylative cycloadditions.","Chemical science","2023","14","11","3024","3029","10.1039/d3sc00112a","","x-ray","1.54184","CuKα","","0.0344","0.0309","","","0.0739","0.0755","","","","","","1.04","","","","has coordinates","282289","2023-04-04","09:57:37",""
"1568507","10.7675","0.0003","17.3155","0.0004","17.5438","0.0005","90","","90","","90","","3270.95","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 O2 U -","- C36 H53 O2 U -","- C144 H212 O8 U4 -","4","1","","Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes","Chemical Science","2023","14","8","2024","2032","10.1039/D2SC06375A","","","1.54178","CuKα","","0.0146","0.014","","","0.033","0.0332","","","","","","1.036","","","","has coordinates","281098","2023-02-23","07:53:33",""
"1568567","12.8057","0.0007","14.5978","0.0009","17.7056","0.0014","90","","90","","90","","3309.8","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 B2 K2 O6 -","- C30 H44 B2 K2 O6 -","- C120 H176 B8 K8 O24 -","4","1","","Prey, Sven E.; Gilmer, Jannik; Teichmann, Samira V.; Čaić, Luis; Wenisch, Mischa; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Fantuzzi, Felipe; Wagner, Matthias","Synthesis, bridgehead functionalization, and photoisomerization of 9,10-diboratatriptycene dianions.","Chemical science","2023","14","20","5316","5322","10.1039/d3sc00555k","","","0.71073","MoKα","","0.0355","0.0326","","","0.0833","0.0848","","","","","","1.03","","","","has coordinates","284223","2023-06-05","04:02:09",""
"1568575","9.484","0.0003","13.8807","0.0003","14.0827","0.0003","90","","90","","90","","1853.91","0.08","113.15","","113.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Chong, Chuanke; Chang, Le; Grimm, Isabelle; Zhang, Qunlong; Kuang, Yang; Wang, Bingjian; Kang, Jingyi; Liu, Wenhui; Baars, Julian; Guo, Yuanqiang; Schmalz, Hans-Günther; Lu, Zhaoyong","Divergent total synthesis of the revised structures of marine anti-cancer meroterpenoids (+)-dysiherbols A-E.","Chemical science","2023","14","12","3302","3310","10.1039/d3sc00173c","","x-ray","0.71073","MoKα","","0.0397","0.0356","","","0.089","0.0916","","","","","","1.044","","","","has coordinates","283190","2023-05-05","01:13:35",""
"1568612","10.6752","0.0002","11.971","0.0004","12.2865","0.0004","90","","90","","90","","1570.13","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9.714 H9.143 Br1.143 O1.143 -","- C9.71429 H9.14286 Br1.14286 O1.14286 -","- C68 H64 Br8 O8 -","7","1.75","","Linde, Sif T.; Corti, Vasco; Lauridsen, Vibeke H.; Lamhauge, Johannes N.; Jørgensen, Karl Anker; Rezayee, Nomaan M.","Atroposelective brominations to access chiral biaryl scaffolds using high-valent Pd-catalysis.","Chemical science","2023","14","13","3676","3681","10.1039/d2sc06131g","","x-ray","0.71073","MoKα","","0.0381","0.0337","","","0.0674","0.0715","","","","","","1.0319","","","","has coordinates","283169","2023-05-05","01:06:06",""
"1568629","8.9688","0.0003","15.8749","0.0006","16.3925","0.0005","90","","90","","90","","2333.94","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N4 Pd -","- C26 H32 N4 Pd -","- C104 H128 N16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.0403","0.0396","","","0.0931","0.094","","","","","","1.379","","","","has coordinates","283174","2023-05-05","01:08:18",""
"1568632","11.34","0.001","12.2808","0.001","20.326","0.002","90","","90","","90","","2830.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Cl N5 O4 Pd -","- C28 H35 Cl N5 O4 Pd -","- C112 H140 Cl4 N20 O16 Pd4 -","4","1","","Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.","C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.","Chemical science","2023","14","14","3800","3808","10.1039/d3sc00034f","","","0.71073","MoKα","","0.029","0.0249","","","0.0508","0.0524","","","","","","1.018","","","","has coordinates,has disorder","283174","2023-05-05","01:08:19",""
"1568635","9.1712","0.0001","14.2201","0.0001","14.903","0.0002","90","","90","","90","","1943.58","0.04","123.01","0.1","123.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Fe P5 -","- C15 H25 Fe P5 -","- C60 H100 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0271","0.0267","","","0.059","0.0592","","","","","","1.076","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568637","8.4755","0.0001","8.8421","0.0001","22.8473","0.0003","90","","90","","90","","1712.2","0.04","123","0.1","123","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 Fe P5 -","- C13 H21 Fe P5 -","- C52 H84 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0274","0.0272","","","0.0737","0.0739","","","","","","1.036","","","","has coordinates","283177","2023-05-05","01:09:13",""
"1568638","9.293","0.0003","14.8439","0.0005","14.4562","0.0005","90","","90","","90","","1994.15","0.12","122.99","0.1","122.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Fe P5 -","- C16 H27 Fe P5 -","- C64 H108 Fe4 P20 -","4","1","","Reichl, Stephan; Balázs, Gábor; Scheer, Manfred","Novel synthetic route for (parent) phosphetanes, phospholanes, phosphinanes and phosphepanes.","Chemical science","2023","14","14","3834","3838","10.1039/d3sc00580a","","x-ray","1.54184","CuKα","","0.0468","0.0462","","","0.1091","0.1093","","","","","","1.2","","","","has coordinates,has disorder","283177","2023-05-05","01:09:13",""
"1568672","9.8358","0.0001","11.6082","0.0001","22.5888","0.0002","90","","90","","90","","2579.1","0.04","119.99","0.17","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 B2 Br2 N O -","- C30 H31 B2 Br2 N O -","- C120 H124 B8 Br8 N4 O4 -","4","1","","Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.","Amides as modifiable directing groups in electrophilic borylation.","Chemical science","2023","14","14","3865","3872","10.1039/d2sc06483a","","","0.71073","MoKα","","0.0312","0.0257","","","0.0559","0.0578","","","","","","1.051","","","","has coordinates","283178","2023-05-05","01:09:42",""
"1568673","7.75558","0.0001","9.02843","0.0001","15.5656","0.0002","90","","90","","90","","1089.91","0.02","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralol","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1,2,3,4-tetrahydronaphthalen-1-ol","","- C12 H13 F3 O2 -","- C12 H13 F3 O2 -","- C48 H52 F12 O8 -","4","1","TK4089","Radan, Kristian; Cotman, Andrej Emanuel; Lozinšek, Matic","(1<i>S</i>,2<i>S</i>)-2-[(<i>S</i>)-2,2,2-Trifluoro-1-hydroxyethyl]-1-tetralol","IUCrData","2023","8","3","x230217","","10.1107/S2414314623002171","","x-ray","1.54184","CuKα","","0.0291","0.0288","","","0.0725","0.0727","","","","","","1.064","","","","has coordinates","281914","2023-03-16","03:37:12",""
"1568674","8.4703","0.0002","13.2994","0.0003","24.425","0.0007","90","","90","","90","","2751.47","0.12","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N4 Si -","- C29 H38 N4 Si -","- C116 H152 N16 Si4 -","4","1","","Xu, Qingshuang; Zhang, Yutao; Zhu, Mingming; Yan, Chenxu; Mao, Wenle; Zhu, Wei-Hong; Guo, Zhiqian","Bent-to-planar Si-rhodamines: a distinct rehybridization lights up NIR-II fluorescence for tracking nitric oxide in the Alzheimer's disease brain.","Chemical science","2023","14","15","4091","4101","10.1039/d3sc00193h","","","0.71073","MoKα","","0.0566","0.0476","","","0.1161","0.1237","","","","","","1.048","","","","has coordinates","283186","2023-05-05","01:12:09",""
"1568685","5.17882","0.00011","9.5846","0.0002","23.5161","0.0006","90","","90","","90","","1167.27","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2S-azido 3S-Boc-amino butyrolactone","tert-butyl (4-azido-5-oxotetrahydrofuran-3-yl)carbamate","","- C9 H14 N4 O4 -","- C9 H14 N4 O4 -","- C36 H56 N16 O16 -","4","1","","Lichstrahl, Michael S.; Kahlert, Lukas; Li, Rongfeng; Zandi, Trevor A.; Yang, Jerry; Townsend, Craig A.","Synthesis of functionalized 2,3-diaminopropionates and their potential for directed monobactam biosynthesis.","Chemical science","2023","14","14","3923","3931","10.1039/d2sc06893a","","","1.54178","CuKα","","0.0296","0.0288","","","0.077","0.0782","","","","","","1.041","","","","has coordinates,has disorder","283176","2023-05-05","01:08:46",""
"1568717","9.9943","0.0014","20.42","0.003","20.447","0.003","90","","90","","90","","4172.9","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 Cl6 P2 Pd Si -","- C42 H38 Cl6 P2 Pd Si -","- C168 H152 Cl24 P8 Pd4 Si4 -","4","1","","Hou, Fei; Liu, Minjie; Ru, Tong; Tan, Zequn; Ning, Yingtang; Chen, Fen-Er","Chiral spirosiladiphosphines: ligand development and applications in Rh-catalyzed asymmetric hydrosilylation/cyclization of 1,6-enynes with enhanced reactivity.","Chemical science","2023","14","17","4641","4646","10.1039/d2sc06349b","","","1.34139","GaKα","","0.0251","0.0238","","","0.0522","0.0528","","","","","","1.054","","","","has coordinates","284209","2023-06-05","03:54:38",""
"1568720","6.94728","0.00004","13.79687","0.00007","22.55057","0.00013","90","","90","","90","","2161.49","0.02","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O2 -","- C27 H26 N2 O2 -","- C108 H104 N8 O8 -","4","1","","Zhu, Bing-Ke; Xu, Hui; Xiao, Lu; Chang, Xin; Wei, Liang; Teng, Huailong; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Enantio- and diastereodivergent synthesis of fused indolizines enabled by synergistic Cu/Ir catalysis.","Chemical science","2023","14","15","4134","4142","10.1039/d3sc00118k","","x-ray","1.54184","CuKα","","0.0268","0.0263","","","0.0668","0.0673","","","","","","1.03","","","","has coordinates","283180","2023-05-05","01:10:17",""
"1568748","15.9046","0.0013","16.4022","0.0014","23.053","0.002","90","","90","","90","","6013.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H81 B Cl2 N2 Si3 -","- C61 H81 B Cl2 N2 Si3 -","- C244 H324 B4 Cl8 N8 Si12 -","4","1","","Sarcevic, Julijan; Heitkemper, Tobias; Ruth, Paul Niklas; Naß, Leonard; Kubis, Maximilian; Stalke, Dietmar; Sindlinger, Christian P.","A donor-supported silavinylidene and silylium ylides: boroles as a flexible platform for versatile Si(ii) chemistry.","Chemical science","2023","14","19","5148","5159","10.1039/d3sc00808h","","x-ray","0.71073","MoKα","","0.0422","0.0346","","","0.0802","0.0843","","","","","","1.045","","","","has coordinates","284214","2023-06-05","03:57:34",""
"1568754","10.221","0.003","12.581","0.003","13.333","0.004","90","","90","","90","","1714.5","0.8","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","0.71073","MoKα","","0.0592","0.0424","","","0.0942","0.1007","","","","","","1.069","","","","has coordinates","284236","2023-06-05","04:07:59",""
"1568758","9.0245","0.0013","13.383","0.002","16.329","0.003","90","","90","","90","","1972.1","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O9 -","- C19 H32 O9 -","- C76 H128 O36 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0315","0.0314","","","0.0874","0.0875","","","","","","1.087","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568759","6.3347","0.0003","12.3768","0.0005","30.9537","0.0013","90","","90","","90","","2426.87","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O4 Si -","- C25 H38 O4 Si -","- C100 H152 O16 Si4 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0341","0.0315","","","0.0776","0.0795","","","","","","1.045","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568760","6.1878","0.0004","14.9676","0.0014","17.511","0.002","90","","90","","90","","1621.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","Total synthesis of (-)-scabrolide A and (-)-yonarolide.","Chemical science","2023","14","18","4745","4758","10.1039/d3sc00651d","","","1.54178","CuKα","","0.0369","0.0353","","","0.0889","0.0906","","","","","","1.048","","","","has coordinates","284236","2023-06-05","04:08:00",""
"1568803","8.4705","0.0001","17.9094","0.0003","20.2338","0.0003","90","","90","","90","","3069.5","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(NDipp)2(CMe)2(C5H3N)]Co(CCH)","","- C35 H44 Co N3 -","- C35 H44 Co N3 -","- C140 H176 Co4 N12 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","0.71073","MoKα","","0.0484","0.0364","","","0.0721","0.0769","","","","","","1.068","","","","has coordinates","283145","2023-05-05","00:47:27",""
"1568807","8.4966","0.0001","17.9973","0.0002","20.3635","0.0002","90","","90","","90","","3113.9","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(NDipp)2(CMe)2(C5H3N)]Rh(CP)","","- C34 H43 N3 P Rh -","- C34 H43 N3 P Rh -","- C136 H172 N12 P4 Rh4 -","4","1","","Yang, Eric S.; Combey, Emma; Goicoechea, Jose M.","Putting cyaphide in its place: determining the donor/acceptor properties of the κC-cyaphido ligand","Chemical Science","2023","14","17","4627","4632","10.1039/D3SC01126G","","","1.54184","CuKα","","0.0225","0.0214","","","0.0562","0.0569","","","","","","1.068","","","","has coordinates","283145","2023-05-05","00:47:30",""
"1568855","11.6468","0.0008","16.5589","0.0012","21.055","0.0017","90","","90","","90","","4060.6","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 N2 O8 S2 Si2 -","- C38 H46 N2 O8 S2 Si2 -","- C152 H184 N8 O32 S8 Si8 -","4","1","","Feng, Lili; Chen, Xiaofan; Guo, Ning; Zhou, Yuqiao; Lin, Lili; Cao, Weidi; Feng, Xiaoming","Visible-light-induced chemo-, diastereo- and enantioselective α-C(sp3)–H functionalization of alkyl silanes","Chemical Science","2023","14","17","4516","4522","10.1039/D3SC00919J","","","0.71073","MoKα","","0.0345","0.0328","","","0.0749","0.0759","","","","","","1.103","","","","has coordinates","283193","2023-05-05","01:15:13",""
"1568894","5.8251","0.0002","8.9229","0.0003","26.3669","0.0009","90","","90","","90","","1370.47","0.08","123.15","","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fur-imine","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.0298","0.0289","","","0.0687","0.0691","","","","","","1.105","","","","has coordinates","283143","2023-05-05","00:44:48",""
"1568896","6.9356","0.0002","8.626","0.0003","25.4183","0.0008","90","","90","","90","","1520.69","0.08","123.15","","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fur-aminonitrile","","","- C18.9 H15.9 N2 O -","- C18.898 H15.898 N2 O -","- C75.592 H63.592 N8 O4 -","4","1","","Machida, Yutaro; Tanaka, Yudai; Masuda, Yuya; Kimura, Aya; Kawasaki, Tsuneomi","Chirally and chemically reversible Strecker reaction","Chemical Science","2023","14","17","4480","4484","10.1039/D3SC00359K","","","1.54187","CuKα","","0.04","0.0387","","","0.0965","0.0974","","","","","","1.061","","","","has coordinates,has disorder","283143","2023-05-05","00:44:53",""
"1568900","12.694","0.0003","14.2272","0.0003","15.3472","0.0004","90","","90","","90","","2771.71","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 Cl3 N3 Pd -","- C24 H40 Cl3 N3 Pd -","- C96 H160 Cl12 N12 Pd4 -","4","1","","Rahman, Md Mahbubur; Meng, Guangrong; Bisz, Elwira; Dziuk, Błażej; Lalancette, Roger; Szostak, Roman; Szostak, Michal","I<i>t</i>Oct (I<i>t</i>Octyl) - pushing the limits of I<i>t</i>Bu: highly hindered electron-rich N-aliphatic N-heterocyclic carbenes.","Chemical science","2023","14","19","5141","5147","10.1039/d3sc01006f","","","0.71073","MoKα","","0.0237","0.0185","","","0.038","0.0389","","","","","","0.94","","","","has coordinates","284217","2023-06-05","03:59:11",""
"1568913","8.2557","0.0005","14.5568","0.0009","21.8087","0.0012","90","","90","","90","","2620.9","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N4 O3 S -","- C31 H26 N4 O3 S -","- C124 H104 N16 O12 S4 -","4","1","","Zhou, Li; Li, Yankun; Li, Shunian; Shi, Zhenwei; Zhang, Xue; Tung, Chen-Ho; Xu, Zhenghu","Asymmetric rhodium-catalyzed click cycloaddition to access C-N axially chiral <i>N</i>-triazolyl indoles.","Chemical science","2023","14","19","5182","5187","10.1039/d3sc00610g","","","1.54178","CuKα","","0.04","0.035","","","0.0842","0.0878","","","","","","1.104","","","","has coordinates","284213","2023-06-05","03:56:04",""
"1568955","6.79993","0.00004","15.8969","0.00008","18.74294","0.0001","90","","90","","90","","2026.07","0.019","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Chang, Xin; Liu, Xue-Tao; Li, Fangfang; Yang, Yuhong; Chung, Lung Wa; Wang, Chun-Jiang","Electron-rich benzofulvenes as effective dipolarophiles in copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition of azomethine ylides.","Chemical science","2023","14","20","5460","5469","10.1039/d3sc00435j","","x-ray","1.54184","CuKα","","0.0312","0.0306","","","0.0812","0.0817","","","","","","1.046","","","","has coordinates","284224","2023-06-05","04:02:39",""
"1568956","10.764","0.0004","15.5751","0.0005","29.2364","0.0008","90","","90","","90","","4901.5","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H48 F6 N2 O4 -","- C62 H48 F6 N2 O4 -","- C248 H192 F24 N8 O16 -","4","1","","Chang, Xin; Liu, Xue-Tao; Li, Fangfang; Yang, Yuhong; Chung, Lung Wa; Wang, Chun-Jiang","Electron-rich benzofulvenes as effective dipolarophiles in copper(i)-catalyzed asymmetric 1,3-dipolar cycloaddition of azomethine ylides.","Chemical science","2023","14","20","5460","5469","10.1039/d3sc00435j","","x-ray","1.54184","CuKα","","0.052","0.0438","","","0.1159","0.1239","","","","","","1.109","","","","has coordinates,has disorder","284224","2023-06-05","04:02:50",""
"1568962","6.8379","0.0003","16.3952","0.0005","22.7541","0.0008","90","","90","","90","","2550.93","0.16","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N O5 S -","- C31 H23 N O5 S -","- C124 H92 N4 O20 S4 -","4","1","","Liu, Li-Xia; Bai, Yu-Qing; Li, Xiang; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed asymmetric allenylic alkylation: construction of multiple chiral thiochromanone derivatives.","Chemical science","2023","14","20","5477","5482","10.1039/d3sc01060k","","","0.71073","MoKα","","0.0415","0.0366","","","0.0887","0.0925","","","","","","1.025","","","","has coordinates","284221","2023-06-05","04:01:29",""
"1568971","9.783","0.0018","10.941","0.002","22.744","0.004","90","","90","","90","","2434.4","0.8","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-1-(2-oxooxazolidin-3-yl)-2,3,3-triphenylprop-1-en-1-yl 4-fluorobenzoate","","- C31 H24 F N O4 -","- C31 H24 F N O4 -","- C124 H96 F4 N4 O16 -","4","1","","Xiao, Yuanjiu; Tang, Lei; Xu, Tong-Tong; Sheng, Jiang-Yi-Hui; Zhou, Zhongyan; Yue, Lei; Wang, Guoqiang; Oestreich, Martin; Feng, Jian-Jun","Atom-economic and stereoselective catalytic synthesis of fully substituted enol esters/carbonates of amides in acyclic systems enabled by boron Lewis acid catalysis.","Chemical science","2023","14","21","5608","5618","10.1039/d3sc01394d","","","0.71073","MoKα","","0.092","0.0714","","","0.1716","0.198","","","","","","1.082","","","","has coordinates","284246","2023-06-05","04:13:35",""
"1568978","13.745","0.004","17.557","0.005","25.813","0.01","90","","90","","90","","6229","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 Bi3 F9 N4 O17 S3 -","- C52 H50 Bi3 F9 N4 O17 S3 -","- C208 H200 Bi12 F36 N16 O68 S12 -","4","1","","Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin","Insertion of CO<sub>2</sub> and CS<sub>2</sub> into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.","Chemical science","2023","14","19","5214","5219","10.1039/d3sc01635h","","","0.71073","MoKα","","0.0263","0.0231","","","0.0541","0.0552","","","","","","1.028","","","","has coordinates,has disorder","284218","2023-06-05","03:59:31",""
"1568989","7.1543","0.0002","11.4783","0.0004","23.2717","0.0009","90","","90","","90","","1911.05","0.11","153","1","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N3 O S -","- C23 H17 N3 O S -","- C92 H68 N12 O4 S4 -","4","1","","Zitzmann, Max; Hampel, Frank; Dube, Henry","A cross-conjugation approach for high-performance diaryl-hemithioindigo photoswitches.","Chemical science","2023","14","21","5734","5742","10.1039/d2sc06939c","","x-ray","1.54184","CuKα","","0.0535","0.0493","","","0.1307","0.1355","","","","","","1.065","","","","has coordinates","284248","2023-06-05","04:14:29",""
"1568993","17.227","0.0002","9.6868","0.0001","14.0647","0.0002","90","","90","","90","","2347.04","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H22 Br8 N2 Sn -","- C8 H22 Br8 N2 Sn -","- C32 H88 Br32 N8 Sn4 -","4","1","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual <i>cis</i>-/<i>anti</i>-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.54184","CuKα","","0.0417","0.0406","","","0.1103","0.1121","","","","","","1.054","","","","has coordinates,has disorder","284890","2023-07-05","09:39:39",""
"1568997","6.55997","0.00012","14.3262","0.0003","17.4645","0.0004","90","","90","","90","","1641.3","0.06","149.95","0.1","149.95","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.058","0.0541","","","0.1472","0.1513","","","","","","1.043","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1568998","6.1934","0.0002","13.5942","0.0004","20.6761","0.0006","90","","90","","90","","1740.81","0.09","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0615","0.0519","","","0.1406","0.1477","","","","","","1.103","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1568999","6.0277","0.0001","10.7851","0.0002","25.2404","0.0004","90","","90","","90","","1640.86","0.05","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Chen, Xiao-Wei; Hou, Zi-Chao; Chen, Chi; Zhang, Ling-Hui; Chen, Meng-En; Zhang, Fu-Min","Enantioselective total syntheses of six natural and two proposed meroterpenoids from <i>Psoralea corylifolia</i>.","Chemical science","2023","14","21","5699","5704","10.1039/d3sc00582h","","x-ray","1.54184","CuKα","","0.0814","0.0792","","","0.1914","0.1933","","","","","","1.068","","","","has coordinates","284243","2023-06-05","04:11:18",""
"1569020","6.737","0.0004","12.6197","0.0007","27.5521","0.0014","90","","90","","90","","2342.4","0.2","305","","305","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 I2 N6 O18 -","- C10 H15 I2 N6 O18 -","- C40 H60 I8 N24 O72 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.084","0.0503","","","0.112","0.13","","","","","","0.976","","","","has coordinates","284900","2023-07-05","09:45:27",""
"1569025","6.6728","0.0009","12.5692","0.0019","27.033","0.004","90","","90","","90","","2267.3","0.6","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Br2 N6 O18 -","- C10 H16 Br2 N6 O18 -","- C40 H64 Br8 N24 O72 -","4","1","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","1.54178","CuKα","","0.0486","0.0336","","","0.0785","0.0854","","","","","","1.036","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569028","6.9671","0.0002","12.3623","0.0005","26.6682","0.0012","90","","90","","90","","2296.92","0.15","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 I3 N O3 -","- C5 H8 I3 N O3 -","- C40 H64 I24 N8 O24 -","8","2","","Lease, Nicholas; Spielvogel, Kyle D.; Davis, Jack V.; Tisdale, Jeremy T.; Klamborowski, Lisa M.; Cawkwell, M. J.; Manner, Virginia W.","Halogenated PETN derivatives: interplay between physical and chemical factors in explosive sensitivity.","Chemical science","2023","14","25","7044","7056","10.1039/d3sc01627g","","","0.71073","MoKα","","0.0585","0.0376","","","0.0828","0.0931","","","","","","1.027","","","","has coordinates","284900","2023-07-05","09:45:58",""
"1569067","4.5908","0.0006","5.6201","0.0008","39.348","0.005","90","","90","","90","","1015.2","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Cl O3 -","- C10 H13 Cl O3 -","- C40 H52 Cl4 O12 -","4","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Samigullina, Aida I.; Gubaidullin, Aidar T.","3-(2-Chloro-5-methylphenoxy)propane-1,2-diol","Molbank","2023","2023","2","M1624","","10.3390/M1624","","","0.71073","MoKα","","0.0458","0.037","","","0.065","0.0683","","","","","","1.059","","","","has coordinates","283542","2023-05-06","00:01:00",""
"1569111","11.0296","0.0003","13.7412","0.0003","17.5524","0.0004","90","","90","","90","","2660.24","0.11","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N O7 -","- C31 H29 N O7 -","- C124 H116 N4 O28 -","4","1","","Gao, Mingchun; Ruiz, Jose M.; Jimenez, Emily; Lo, Anna; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Catalytic generation of <i>ortho</i>-quinone dimethides <i>via</i> donor/donor rhodium carbenes.","Chemical science","2023","14","23","6443","6448","10.1039/d3sc00734k","","","1.54178","CuKα","","0.0238","0.0238","","","0.0613","0.0613","","","","","","1.068","","","","has coordinates,has disorder","284911","2023-07-05","09:56:03",""
"1569185","7.349","0.002","11.275","0.003","17.533","0.004","90","","90","","90","","1452.8","0.6","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 S -","- C18 H16 O2 S -","- C72 H64 O8 S4 -","4","1","","Liang, Ren-Xiao; Tang, Heng-Wei; Liu, Jia-Liang; Xu, Jian-Feng; Chen, Ling-Jia; Jia, Yi-Xia","Cobalt-catalyzed enantioselective desymmetrizing reductive cyclization of alkynyl cyclodiketones.","Chemical science","2023","14","23","6393","6398","10.1039/d3sc00119a","","","0.71073","MoKα","","0.0285","0.028","","","0.074","0.0748","","","","","","1.086","","","","has coordinates,has disorder","284909","2023-07-05","09:55:10",""
"1569197","9.26014","0.00012","11.7541","0.0002","21.9162","0.0003","90","","90","","90","","2385.46","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N3 O2 S -","- C24 H31 N3 O2 S -","- C96 H124 N12 O8 S4 -","4","1","","Wang, Rui; Wang, Chuan","Asymmetric imino-acylation of alkenes enabled by HAT-photo/nickel cocatalysis.","Chemical science","2023","14","23","6449","6456","10.1039/d3sc01945d","","x-ray","1.54184","CuKα","","0.043","0.0408","","","0.1181","0.1214","","","","","","1.021","","","","has coordinates","284903","2023-07-05","09:47:26",""
"1569200","9.3235","0.0017","9.838","0.002","17.181","0.004","90","","90","","90","","1575.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Br O3 -","- C17 H19 Br O3 -","- C68 H76 Br4 O12 -","4","1","","Duran, Jordi; Mateos, Javier; Moyano, Albert; Companyó, Xavier","Catalytic asymmetric defluorinative allylation of silyl enol ethers.","Chemical science","2023","14","26","7147","7153","10.1039/d3sc01498c","","","0.71073","MoKα","","0.0348","0.0253","","","0.049","0.0524","","","","","","1.024","","","","has coordinates","286053","2023-09-05","19:13:30",""
"1569242","5.7781","0.0002","10.145","0.0004","14.0978","0.0004","90","","90","","90","","826.4","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Chang, Kai-Hsin; Peng, Yu-Chiang; Su, Kuan-Hsuan; Lin, Yi-Hsien; Liu, Jiun-Chi; Liu, Ying-Hsuan; Hsu, Chao-Hsien; Yang, Hsiao-Ching; Chou, Pi-Tai","Long-range hydrogen-bond relay catalyses the excited-state proton transfer reaction.","Chemical science","2023","14","26","7237","7247","10.1039/d3sc01441j","","","0.71073","MoKα","","0.0434","0.0393","","","0.1069","0.1111","","","","","","1.07","","","","has coordinates","286058","2023-09-05","19:17:20",""
"1569254","11.1871","0.0003","18.9167","0.0005","22.6936","0.0006","90","","90","","90","","4802.5","0.2","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H69 I3 Mo N2 Na O7 P2 -","- C36 H69 I3 Mo N2 Na O7 P2 -","- C144 H276 I12 Mo4 N8 Na4 O28 P8 -","4","1","","Jin, Li; Zhang, Guoqiang; Yang, Xiaoqin; Song, Jinyi; Wang, Jin; Liao, Qian","A synthetic cycle for iminophosphorane synthesis involving direct intermolecular NP bond formation on N<sub>2</sub>-derived molybdenum nitride.","Chemical communications (Cambridge, England)","2023","59","51","7955","7958","10.1039/d3cc01925j","","","1.54178","CuKα","","0.023","0.022","","","0.0557","0.0561","","","","","","1.032","","","","has coordinates,has disorder","284833","2023-07-05","08:45:36",""
"1569349","7.1457","0.0001","14.9447","0.0003","33.743","0.0007","90","","90","","90","","3603.43","0.12","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 Cl2 N O9 S -","- C35 H49 Cl2 N O9 S -","- C140 H196 Cl8 N4 O36 S4 -","4","1","","Mikan, Charles P.; Matthews, Aidan; Harris, Daniel; McIvor, Charlotte E.; Waddell, Paul G.; Sims, Mark T.; Knowles, Jonathan P.","Stereoselective two-carbon ring expansion of allylic amines via electronic control of palladium-promoted equilibria","Chemical Science","2023","14","25","6992","6996","10.1039/D3SC02303F","","x-ray","1.54184","CuKα","","0.0617","0.053","","","0.1233","0.1275","","","","","","1.057","","","","has coordinates,has disorder","284575","2023-06-29","09:26:56",""
"1569361","7.25651","0.00012","14.5203","0.0002","16.1412","0.0002","90","","90","","90","","1700.75","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H34 Al N -","- C16 H34 Al N -","- C64 H136 Al4 N4 -","4","1","","Safaie, Niloofar; Rodriguez, Austin; Jana, Gourhari; Smak, Jessica; Mendoza-Cortes, Jose L.; Ferrier, Robert C.","Unveiling the mechanisms of epoxide polymerization with N–Al adduct catalysts: a comprehensive experimental and theoretical investigation","Polymer Chemistry","2023","14","27","3213","3224","10.1039/D3PY00482A","","x-ray","1.54184","CuKα","","0.0433","0.0375","","","0.0962","0.0976","","","","","","1.03","","","","has coordinates","285536","2023-08-05","09:38:02",""
"1569362","7.5824","0.0002","12.9289","0.0003","15.4855","0.0003","90","","90","","90","","1518.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H30 Al N -","- C12 H30 Al N -","- C48 H120 Al4 N4 -","4","1","","Safaie, Niloofar; Rodriguez, Austin; Jana, Gourhari; Smak, Jessica; Mendoza-Cortes, Jose L.; Ferrier, Robert C.","Unveiling the mechanisms of epoxide polymerization with N–Al adduct catalysts: a comprehensive experimental and theoretical investigation","Polymer Chemistry","2023","14","27","3213","3224","10.1039/D3PY00482A","","x-ray","1.54184","CuKα","","0.0413","0.0396","","","0.1027","0.1047","","","","","","1.026","","","","has coordinates","285536","2023-08-05","09:38:03",""
"1569371","3.7973","0.0003","17.7163","0.0014","19.1364","0.0015","90","","90","","90","","1287.38","0.18","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H9 N O2 -","- C20 H9 N O2 -","- C80 H36 N4 O8 -","4","1","","Wu, Yimin; Liu, Xiaoyu; Liu, Junjie; Yang, Ge; Han, Songyan; Yang, Dezhi; Cao, Xiaosong; Ma, Dongge; Bin, Zhengyang; You, Jingsong","Geometry engineering of a multiple resonance core <i>via</i> a phenyl-embedded strategy toward highly efficient narrowband blue OLEDs.","Materials horizons","2023","10","9","3785","3790","10.1039/d3mh00617d","","","0.71073","MoKα","","0.1299","0.059","","","0.1039","0.1322","","","","","","1.019","","","","has coordinates","286199","2023-09-05","20:28:27",""
"1569374","5.1456","0.0002","7.7415","0.0004","13.6223","0.0006","90","","90","","90","","542.64","0.04","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Boer, Stephanie A.; Price, Jason R.; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Summers, Aston; Turner, Gemma F.; Jones, Isabelle; Bond, Charles; Vrielink, Alice; Marshall, Andrew C.; Hitchings, John; Moggach, Stephen A.","High-pressure single-crystal diffraction at the Australian Synchrotron.","Journal of synchrotron radiation","2023","30","4","841","846","10.1107/S160057752300406X","","","0.71073","MoKα","","0.0497","0.0395","","","0.0978","0.1039","","","","","","1.077","","","","has coordinates,has Fobs","284703","2023-06-29","16:02:05",""
"1569375","5.1419","0.0002","7.7217","0.0004","13.613","0.005","90","","90","","90","","540.5","0.2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Boer, Stephanie A.; Price, Jason R.; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Summers, Aston; Turner, Gemma F.; Jones, Isabelle; Bond, Charles; Vrielink, Alice; Marshall, Andrew C.; Hitchings, John; Moggach, Stephen A.","High-pressure single-crystal diffraction at the Australian Synchrotron.","Journal of synchrotron radiation","2023","30","4","841","846","10.1107/S160057752300406X","","x-ray","0.71073","MoKα","","0.0542","0.0404","","","0.1017","0.1246","","","","","","1.131","","","","has coordinates,has Fobs","284703","2023-06-29","16:02:23",""
"1569376","5.1489","0.0005","7.7304","0.0005","13.602","0.006","90","","90","","90","","541.4","0.2","293","2","293","","","","150000","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Boer, Stephanie A.; Price, Jason R.; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Summers, Aston; Turner, Gemma F.; Jones, Isabelle; Bond, Charles; Vrielink, Alice; Marshall, Andrew C.; Hitchings, John; Moggach, Stephen A.","High-pressure single-crystal diffraction at the Australian Synchrotron.","Journal of synchrotron radiation","2023","30","4","841","846","10.1107/S160057752300406X","","x-ray","0.71073","Synchrotron","","0.0507","0.0404","","","0.1088","0.1423","","","","","","1.222","","","","has coordinates,has Fobs","284703","2023-06-29","16:02:23",""
"1569378","14.9788","0.0002","15.3455","0.0002","16.2948","0.0002","90","","90","","90","","3745.48","0.08","93.25","","93.25","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aqua{μ-1,4-bis[(1,4,7,10-tetraazacyclododecan-1-yl)methyl]benzene}(nitrato-κ<i>O</i>)dicopper(II) tris(nitrate) trihydrate","","- C24 H54 Cu2 N12 O16 -","- C24 H54 Cu2 N12 O16 -","- C96 H216 Cu8 N48 O64 -","4","1","ZL4054","Ichimaru, Yoshimi; Kato, Koichi; Sugiura, Kirara; Ogawa, Sarina; Jin, Wanchun; Kurihara, Masaaki; Yamaguchi, Yoshihiro; Imai, Masanori; Kurosaki, Hiromasa","Aqua{μ-1,4-bis[(1,4,7,10-tetraazacyclododecan-1-yl)methyl]benzene}(nitrato-κO)dicopper(II) tris(nitrate) trihydrate","IUCrData","2023","8","6","","","10.1107/S2414314623004625","","x-ray","1.54184","CuKα","","0.0535","0.0458","","","0.1219","0.139","","","","","","1.063","","","","has coordinates","284705","2023-06-29","16:07:35",""
"1569389","9.1061","0.0002","12.0634","0.0002","14.0083","0.0003","90","","90","","90","","1538.82","0.05","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Wu, Changhui; Chang, Zhiqian; Peng, Chuanyong; Bai, Chen; Xing, Junhao; Dou, Xiaowei","Catalytic asymmetric indolization by a desymmetrizing [3 + 2] annulation strategy.","Chemical science","2023","14","29","7980","7987","10.1039/d3sc02474a","","","1.54178","CuKα","","0.0339","0.0317","","","0.0772","0.0793","","","","","","1.05","","","","has coordinates","286029","2023-09-05","19:05:46",""
"1569406","5.4826","0.0003","12.4971","0.0007","23.5451","0.0013","90","","90","","90","","1613.23","0.15","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Methionyl L-tyrosine monohydrate","L-Methionyl-L-tyrosine monohydrate","","- C14 H22 N2 O5 S -","- C14 H22 N2 O5 S -","- C56 H88 N8 O20 S4 -","4","1","HB4434","Babu, Sainath; Claville, Michelle O.; Fronczek, Frank R.; Uppu, Rao M.","L-Methionyl-L-tyrosine monohydrate","IUCrData","2023","8","6","","","10.1107/S2414314623005515","","","1.54184","CuKα","","0.0271","0.0252","","","0.0625","0.0635","","","","","","1.063","","","","has coordinates","284743","2023-07-01","01:59:46",""
"1569429","9.1729","0.0004","15.6495","0.0007","19.844","0.0008","90","","90","","90","","2848.6","0.2","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 N O3 S -","- C34 H33 N O3 S -","- C136 H132 N4 O12 S4 -","4","1","","Zhu, Xiaohan; Mi, Ruijie; Yin, Jie; Wang, Fen; Li, Xingwei","Rhodium-catalyzed atroposelective access to trisubstituted olefins <i>via</i> C-H bond olefination of diverse arenes.","Chemical science","2023","14","29","7999","8005","10.1039/d3sc02714g","","","1.54178","CuKα","","0.0436","0.0424","","","0.118","0.1191","","","","","","1.051","","","","has coordinates","286024","2023-09-05","19:02:22",""
"1569431","6.0808","0.0001","13.2575","0.0002","31.0012","0.0005","90","","90","","90","","2499.2","0.07","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (1S,2S,4aS)-1,4a-dimethyl-7-nitro-2-(nitrooxy)-6-phenyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate","","- C26 H27 N2 O9 -","- C26 H27 N2 O9 -","- C104 H108 N8 O36 -","4","1","","Nandi, Rhituparna; Niyogi, Sovan; Kundu, Sourav; Gavit, Vipin R.; Munda, Mintu; Murmu, Ranjit; Bisai, Alakesh","Total synthesis of atropisomeric indolosesquiterpenoids <i>via</i> N-N bond formation: dixiamycins A and B.","Chemical science","2023","14","30","8047","8053","10.1039/d2sc07119c","","","1.54184","CuKα","","0.0861","0.0748","","","0.205","0.2139","","","","","","1.042","","","","has coordinates","286062","2023-09-05","19:18:51",""
"1569433","24.0518","0.0001","24.0861","0.0001","24.122","0.0001","90","","90","","90","","13974.2","0.1","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C124 H98 Ag6 N16 P8 S4 -","- C124 H98 Ag6 N16 P8 S4 -","- C496 H392 Ag24 N64 P32 S16 -","4","1","","Wang, Shuaibo; He, Weimiao; Cui, Yujia; Zhou, Zhan; Ma, Lufang; Zang, Shuang-Quan","Atomically precise chiral silver clusters based on non-chiral ligands for acid/base stimulated luminescence response.","Nanoscale","2023","15","30","12679","12685","10.1039/d3nr03095d","","x-ray","1.54184","CuKα","","0.0388","0.0369","","","0.0983","0.0994","","","","","","1.04","","","","has coordinates","285467","2023-08-05","09:10:09",""
"1569434","24.0142","0.0001","24.1415","0.0001","24.1607","0.0002","90","","90","","90","","14006.9","0.14","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C124 H98 Ag6 N16 P8 S4 -","- C124 H98 Ag6 N16 P8 S4 -","- C496 H392 Ag24 N64 P32 S16 -","4","1","","Wang, Shuaibo; He, Weimiao; Cui, Yujia; Zhou, Zhan; Ma, Lufang; Zang, Shuang-Quan","Atomically precise chiral silver clusters based on non-chiral ligands for acid/base stimulated luminescence response.","Nanoscale","2023","15","30","12679","12685","10.1039/d3nr03095d","","x-ray","1.54184","CuKα","","0.0462","0.0415","","","0.1176","0.1194","","","","","","1.029","","","","has coordinates","285467","2023-08-05","09:10:09",""
"1569453","8.702","0.0003","10.7451","0.0004","25.902","0.0009","90","","90","","90","","2421.94","0.15","199.99","0.1","199.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O4 S -","- C28 H24 N2 O4 S -","- C112 H96 N8 O16 S4 -","4","1","","Si, Xiao-Ju; Zhao, Xiaofang; Wang, Jianli; Wang, Xinhai; Zhang, Yuanshuo; Yang, Dandan; Song, Mao-Ping; Niu, Jun-Long","Cobalt-catalyzed enantioselective C-H/N-H annulation of aryl sulfonamides with allenes or alkynes: facile access to C-N axially chiral sultams.","Chemical science","2023","14","26","7291","7303","10.1039/d3sc01787g","","x-ray","1.54184","CuKα","","0.084","0.0589","","","0.1715","0.1748","","","","","","1.159","","","","has coordinates","286054","2023-09-05","19:13:41",""
"1569498","10.6803","0.0007","12.0458","0.0008","23.3062","0.0019","90","","90","","90","","2998.4","0.4","112","8","112","8","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 O8 -","- C36 H36 O8 -","- C144 H144 O32 -","4","1","","Guo, Shen-Yi; Zhang, Zhuo-Ang; Tong, Shuo; Guo, Qing-Hui; Hua, Ruimao; Wang, Mei-Xiang","Tetrahomo corona[4]arene-based spirophanes: synthesis, structure, and properties.","Chemical science","2023","14","31","8393","8400","10.1039/d3sc02417b","","x-ray","1.54184","CuKα","","0.032","0.0316","","","0.0829","0.0832","","","","","","1.09","","","","has coordinates","286068","2023-09-05","19:20:48",""
"1569536","6.68228","0.0001","11.79159","0.00018","13.1717","0.0002","90","","90","","90","","1037.86","0.03","275.8","0.2","275.8","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Oxo-<i>N</i>-phenyl-1,4-dihydropyridine-3-carboxamide","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","IM4020","Shu, Xi; Long, Sihui","4-Oxo-N-phenyl-1,4-dihydropyridine-3-carboxamide","IUCrData","2023","8","7","","","10.1107/S2414314623006016","","x-ray","1.54184","CuKα","","0.0322","0.0303","","","0.0819","0.0827","","","","","","1.06","","","","has coordinates","285228","2023-07-15","02:01:18",""
"1569538","9.5313","0.0003","14.4824","0.0005","16.6299","0.0005","90","","90","","90","","2295.53","0.13","180","","180","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 N2 O -","- C30 H22 N2 O -","- C120 H88 N8 O4 -","4","1","","Zhu, Xiaohan; Wu, Hongli; Wang, Yishou; Huang, Genping; Wang, Fen; Li, Xingwei","Rhodium-catalyzed annulative approach to N-N axially chiral biaryls <i>via</i> C-H activation and dynamic kinetic transformation.","Chemical science","2023","14","32","8564","8569","10.1039/d3sc02800c","","","1.54178","CuKα","","0.0301","0.0288","","","0.0732","0.0747","","","","","","1.067","","","","has coordinates","286044","2023-09-05","19:10:10",""
"1569539","9.1016","0.0001","9.8723","0.0001","17.9089","0.0002","90","","90","","90","","1609.18","0.03","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0259","0.0256","","","0.0687","0.069","","","","","","1.061","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569543","9.6532","0.0001","12.5544","0.0001","25.5448","0.0003","90","","90","","90","","3095.78","0.05","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 N O6 Si -","- C34 H39 N O6 Si -","- C136 H156 N4 O24 Si4 -","4","1","","Lu, Licheng; Lu, Ping","Enantioselective [3+2]-cycloaddition of 2,3-disubstituted cyclobutenones: vicinal quaternary stereocenters construction and skeletal functionalization.","Chemical science","2023","14","31","8355","8359","10.1039/d3sc02485g","","x-ray","1.54184","CuKα","","0.0285","0.0282","","","0.0757","0.0759","","","","","","1.067","","","","has coordinates","286064","2023-09-05","19:19:25",""
"1569589","6.3426","0.0001","12.1336","0.0002","20.3228","0.0002","90","","90","","90","","1564.01","0.04","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N3 O -","- C19 H20 N3 O -","- C76 H80 N12 O4 -","4","1","","Xie, Chaochao; Xiao, Guiying; Guo, Qianling; Wu, Xiaoxue; Zi, Guofu; Ding, Wanjian; Hou, Guohua","Highly enantioselective Rh-catalyzed asymmetric reductive dearomatization of multi-nitrogen polycyclic pyrazolo[1,5-<i>a</i>]pyrimidines.","Chemical science","2023","14","34","9048","9054","10.1039/d3sc02086j","","x-ray","1.54184","CuKα","","0.0351","0.0343","","","0.0889","0.0894","","","","","","1.076","","","","has coordinates","286075","2023-09-05","19:23:15",""
"1569612","11.0717","0.0003","12.1069","0.0003","36.4308","0.0009","90","","90","","90","","4883.3","0.2","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H72 Al2 N3 Y -","- C47 H72 Al2 N3 Y -","- C188 H288 Al8 N12 Y4 -","4","1","","Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin","A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.","Chemical science","2023","14","34","9154","9160","10.1039/d3sc03483f","","","1.34138","GaKα","","0.0529","0.0465","","","0.1273","0.1318","","","","","","1.055","","","","has coordinates","286069","2023-09-05","19:21:40",""
"1569664","5.80631","0.00011","7.77611","0.00012","31.5189","0.0006","90","","90","","90","","1423.09","0.04","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Borrel, Julien; Waser, Jerome","Azido-alkynylation of alkenes through radical-polar crossover.","Chemical science","2023","14","35","9452","9460","10.1039/d3sc03309k","","x-ray","1.54184","CuKα","","0.0318","0.0297","","","0.077","0.0782","","","","","","1.034","","","","has coordinates","286720","2023-10-05","23:53:25",""
"1569692","10.581","0.0003","12.0311","0.0003","20.7727","0.0005","90","","90","","90","","2644.39","0.12","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 F3 N4 O2 -","- C31 H23 F3 N4 O2 -","- C124 H92 F12 N16 O8 -","4","1","","Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu","Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.","Chemical science","2023","14","35","9496","9502","10.1039/d3sc02705h","","","1.54178","CuKα","","0.0379","0.033","","","0.0834","0.0889","","","","","","1.033","","","","has coordinates","286719","2023-10-05","23:53:17",""
"1569693","10.5678","0.0002","11.8802","0.0003","21.0636","0.0004","90","","90","","90","","2644.48","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 F3 N4 O2 -","- C31 H27 F3 N4 O2 -","- C124 H108 F12 N16 O8 -","4","1","","Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu","Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.","Chemical science","2023","14","35","9496","9502","10.1039/d3sc02705h","","","1.54178","CuKα","","0.032","0.0293","","","0.0738","0.0759","","","","","","1.036","","","","has coordinates","286719","2023-10-05","23:53:17",""
"1569697","9.0318","0.0005","12.2358","0.0006","13.0518","0.0007","90","","90","","90","","1442.37","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cd I4 N2 -","- C4 H12 Cd I4 N2 -","- C16 H48 Cd4 I16 N8 -","4","1","","Wu, Huai-Yu; Hu, Chun-Li; Xu, Miao-Bin; Chen, Qian-Qian; Ma, Nan; Huang, Xiao-Ying; Du, Ke-Zhao; Chen, Jin","From H<sub>12</sub>C<sub>4</sub>N<sub>2</sub>CdI<sub>4</sub> to H<sub>11</sub>C<sub>4</sub>N<sub>2</sub>CdI<sub>3</sub>: a highly polarizable CdNI<sub>3</sub> tetrahedron induced a sharp enhancement of second harmonic generation response and birefringence.","Chemical science","2023","14","35","9533","9542","10.1039/d3sc03052k","","x-ray","0.71073","MoKα","","0.0461","0.0408","","","0.085","0.0883","","","","","","1.047","","","","has coordinates","286721","2023-10-05","23:53:32",""
"1569709","8.1086","0.0002","13.3832","0.0004","14.4748","0.0003","90","","90","","90","","1570.79","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 Br5 N2 Sb -","- C6 H18 Br5 N2 Sb -","- C24 H72 Br20 N8 Sb4 -","4","1","","Mandal, Arnab; Gupta, Shresth; Dutta, Supriti; Pati, Swapan K.; Bhattacharyya, Sayan","Transition from Dion-Jacobson hybrid layered double perovskites to 1D perovskites for ultraviolet to visible photodetection.","Chemical science","2023","14","36","9770","9779","10.1039/d3sc01919e","","x-ray","0.71073","MoKα","","0.0759","0.0582","","","0.1161","0.1217","","","","","","1.037","","","","has coordinates","286706","2023-10-05","23:46:58",""
"1569717","12.23","0.002","12.471","0.003","19.36","0.005","90","","90","","90","","2952.8","1.1","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 Cl3 P -","- C35 H28 Cl3 P -","- C140 H112 Cl12 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1147","0.085","","","0.1952","0.211","","","","","","1.074","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569718","11.0759","0.0008","11.4222","0.0008","27.0428","0.0017","90","","90","","90","","3421.2","0.4","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 B Cl2 F4 O2 P -","- C35 H32 B Cl2 F4 O2 P -","- C140 H128 B4 Cl8 F16 O8 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1029","0.0892","","","0.2507","0.2667","","","","","","1.13","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569719","12.2","0.004","12.614","0.003","19.437","0.005","90","","90","","90","","2991.2","1.4","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 Cl3 P -","- C35 H28 Cl3 P -","- C140 H112 Cl12 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0837","0.0587","","","0.1536","0.1693","","","","","","1.063","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569720","11.0745","0.0007","11.4366","0.0008","27.0879","0.0017","90","","90","","90","","3430.8","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 B F4 P -","- C34 H26 B F4 P -","- C136 H104 B4 F16 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0892","0.0583","","","0.1327","0.1448","","","","","","0.949","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569724","12.28","0.004","12.55","0.004","19.659","0.006","90","","90","","90","","3029.7","1.7","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 Br Cl2 P -","- C35 H28 Br Cl2 P -","- C140 H112 Br4 Cl8 P4 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.0451","0.0427","","","0.1165","0.1194","","","","","","1.058","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569732","12.2007","0.0007","18.1269","0.0012","20.8115","0.0011","90","","90","","90","","4602.7","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C59 H46 Cl2 P2 -","- C59 H46 Cl2 P2 -","- C236 H184 Cl8 P8 -","4","1","","Yang, Bo; Yan, Suqiong; Li, Chengbo; Ma, Hui; Feng, Fanda; Zhang, Yuan; Huang, Wei","Mn(iii)-mediated C-P bond activation of diphosphines: toward a highly emissive phosphahelicene cation scaffold and modulated circularly polarized luminescence.","Chemical science","2023","14","38","10446","10457","10.1039/d3sc03201a","","","0.71073","MoKα","","0.1395","0.0676","","","0.1655","0.2259","","","","","","1.063","","","","has coordinates","287327","2023-11-06","07:07:52",""
"1569750","6.2717","0.0008","16.1815","0.0016","18.3606","0.0018","90","","90","","90","","1863.3","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Reinhold, Marius; Steinebach, Justin; Golz, Christopher; Walker, Johannes C. L.","Synthesis of polysubstituted bicyclo[2.1.1]hexanes enabling access to new chemical space.","Chemical science","2023","14","36","9885","9891","10.1039/d3sc03083k","","x-ray","1.54178","CuKα","","0.0246","0.0241","","","0.0634","0.0637","","","","","","1.021","","","","has coordinates","286707","2023-10-05","23:50:55",""
"1569765","11.6532","0.0001","13.3957","0.00011","14.0284","0.00012","90","","90","","90","","2189.87","0.03","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N3 O4 -","- C25 H19 N3 O4 -","- C100 H76 N12 O16 -","4","1","","Nimmo, Alastair J.; Bitai, Jacqueline; Young, Claire M.; McLaughlin, Calum; Slawin, Alexandra M. Z.; Cordes, David B.; Smith, Andrew D.","Enantioselective isothiourea-catalysed reversible Michael addition of aryl esters to 2-benzylidene malononitriles.","Chemical science","2023","14","27","7537","7544","10.1039/d3sc02101g","","","1.54184","CuKα","","0.0302","0.03","","","0.0813","0.0815","","","","","","1.029","","","","has coordinates","285973","2023-09-04","06:56:54",""
"1569766","5.87366","0.00008","9.56529","0.00013","36.9186","0.0004","90","","90","","90","","2074.21","0.05","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 F4 N2 O2 -","- C25 H16 F4 N2 O2 -","- C100 H64 F16 N8 O8 -","4","1","","Nimmo, Alastair J.; Bitai, Jacqueline; Young, Claire M.; McLaughlin, Calum; Slawin, Alexandra M. Z.; Cordes, David B.; Smith, Andrew D.","Enantioselective isothiourea-catalysed reversible Michael addition of aryl esters to 2-benzylidene malononitriles.","Chemical science","2023","14","27","7537","7544","10.1039/d3sc02101g","","","1.54184","CuKα","","0.0513","0.0513","","","0.1078","0.1079","","","","","","1.23","","","","has coordinates","285973","2023-09-04","06:57:06",""
"1569767","7.8355","0.0001","9.0262","0.0001","26.1596","0.0004","90","","90","","90","","1850.13","0.04","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Nimmo, Alastair J.; Bitai, Jacqueline; Young, Claire M.; McLaughlin, Calum; Slawin, Alexandra M. Z.; Cordes, David B.; Smith, Andrew D.","Enantioselective isothiourea-catalysed reversible Michael addition of aryl esters to 2-benzylidene malononitriles.","Chemical science","2023","14","27","7537","7544","10.1039/d3sc02101g","","x-ray","1.54184","CuKα","","0.0333","0.0327","","","0.0903","0.0906","","","","","","1.049","","","","has coordinates","285973","2023-09-04","06:57:09",""
"1569786","5.44197","0.00004","13.09134","0.00008","14.36102","0.00009","90","","90","","90","","1023.12","0.012","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aquatrifluoridoboron–1,3-dioxolan-2-one (1/2)","","- C6 H10 B F3 O7 -","- C6 H10 B F3 O7 -","- C24 H40 B4 F12 O28 -","4","1","WM4182","Radan, Kristian; Forero-Saboya, Juan; Ponrouch, Alexandre; Lozinšek, Matic","Aqua-tri-fluorido-boron-1,3-dioxolan-2-one (1/2).","IUCrData","2023","8","Pt 1","x230062","","10.1107/S2414314623000627","","x-ray","1.54184","CuKα","","0.0189","0.0185","","","0.05","0.0503","","","","","","1.038","","","","has coordinates","286017","2023-09-05","02:06:06",""
"1569833","10.022","0.004","11.611","0.005","30.123","0.013","90","","90","","90","","3505","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H28 Cl3 N O4 S2 -","- C37 H28 Cl3 N O4 S2 -","- C148 H112 Cl12 N4 O16 S8 -","4","1","","Khuntia, Rupkumar; Mahapatra, Sanat Kumar; Roy, Lisa; Chandra Pan, Subhas","Structurally divergent enantioselective synthesis of benzofuran fused azocine derivatives and spiro-cyclopentanone benzofurans enabled by sequential catalysis.","Chemical science","2023","14","39","10768","10776","10.1039/d3sc03239f","","","0.71073","MoKα","","0.0935","0.077","","","0.2148","0.2402","","","","","","1.008","","","","has coordinates","287312","2023-11-06","06:57:41",""
"1569840","9.5728","0.0006","12.9468","0.0009","18.7278","0.001","90","","90","","90","","2321.1","0.3","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 Cl N O2 P -","- C21 H35 Cl N O2 P -","- C84 H140 Cl4 N4 O8 P4 -","4","1","","Oya, Ryoto; Ota, Kenji; Fuki, Masaaki; Kobori, Yasuhiro; Higashi, Masahiro; Nagao, Kazunori; Ohmiya, Hirohisa","Biomimetic design of an α-ketoacylphosphonium-based light-activated oxygenation auxiliary.","Chemical science","2023","14","38","10488","10493","10.1039/d3sc03572g","","","0.71075","MoKα","","0.0586","0.0502","","","0.1299","0.135","","","","","","1.046","","","","has coordinates","287326","2023-11-06","07:07:19",""
"1569863","8.016","0.0003","8.4161","0.0004","34.5711","0.0019","90","","90","","90","","2332.29","0.19","300.47","0.1","300.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Br4 N2 Pb -","- C14 H28 Br4 N2 Pb -","- C56 H112 Br16 N8 Pb4 -","4","1","","You, Shihai; Yu, Panpan; Zhu, Tingting; Guan, Qianwen; Wu, Jianbo; Dai, Hongliang; Zhong, Haiqing; Zhu, Zeng-Kui; Luo, Junhua","Alternating chiral and achiral spacers for constructing two-dimensional chiral hybrid perovskites toward circular-polarization-sensitive photodetection.","Materials horizons","2023","10","11","5307","5312","10.1039/d3mh00745f","","","0.71073","MoKα","","0.0606","0.0458","","","0.1048","0.1099","","","","","","1.051","","","","has coordinates","287428","2023-11-06","08:33:40",""
"1569864","8.0152","0.0003","8.4073","0.0003","34.575","0.0015","90","","90","","90","","2329.88","0.16","300.4","0.1","300.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Br4 N2 Pb -","- C14 H28 Br4 N2 Pb -","- C56 H112 Br16 N8 Pb4 -","4","1","","You, Shihai; Yu, Panpan; Zhu, Tingting; Guan, Qianwen; Wu, Jianbo; Dai, Hongliang; Zhong, Haiqing; Zhu, Zeng-Kui; Luo, Junhua","Alternating chiral and achiral spacers for constructing two-dimensional chiral hybrid perovskites toward circular-polarization-sensitive photodetection.","Materials horizons","2023","10","11","5307","5312","10.1039/d3mh00745f","","","0.71073","MoKα","","0.0597","0.046","","","0.111","0.1172","","","","","","1.107","","","","has coordinates","287428","2023-11-06","08:33:40",""
"1569888","8.7832","0.0018","11.895","0.002","15.221","0.003","90","","90","","90","","1590.2","0.5","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Cl2 Fe N4 -","- C12 H20 Cl2 Fe N4 -","- C48 H80 Cl8 Fe4 N16 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","1.54186","CuKα","","0.0376","0.037","","","0.1016","0.102","","","","","","1.074","","","","has coordinates","287289","2023-11-06","06:17:25",""
"1569891","12.769","0.003","13.649","0.003","15.343","0.003","90","","90","","90","","2674","1","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Cl2 Fe N8 -","- C22 H36 Cl2 Fe N8 -","- C88 H144 Cl8 Fe4 N32 -","4","1","","Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja","Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide","Catalysis Science & Technology","2023","13","20","6006","6021","10.1039/D3CY01117H","","x-ray","0.71073","MoKα","","0.0719","0.0454","","","0.0886","0.0931","","","","","","0.933","","","","has coordinates,has disorder","287289","2023-11-06","06:17:25",""
"1569901","8.3112","0.0008","17.6981","0.0019","23.629","0.003","90","","90","","90","","3475.6","0.7","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 O9 -","- C34 H46 O9 -","- C136 H184 O36 -","4","1","","","","","","","","","","10.1039/D3CC03541G","","x-ray","0.71073","MoKα","","0.1504","0.0833","","","0.2061","0.245","","","","","","1.026","","","","has coordinates,has disorder","286415","2023-09-19","21:55:27",""
"1569902","8.3664","0.0011","14.008","0.002","25.247","0.005","90","","90","","90","","2958.9","0.8","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 O9 -","- C32 H42 O9 -","- C128 H168 O36 -","4","1","","","","","","","","","","10.1039/D3CC03541G","","x-ray","0.71073","MoKα","","0.0886","0.0548","","","0.1073","0.125","","","","","","1.026","","","","has coordinates","286415","2023-09-19","21:55:27",""
"1569919","5.8154","0.0007","17.4","0.002","23.776","0.003","90","","90","","90","","2405.8","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Br2 N2 O2 S -","- C26 H24 Br2 N2 O2 S -","- C104 H96 Br8 N8 O8 S4 -","4","1","","Luo, Pengfei; Li, Long; Mao, Xinfang; Sun, Zheng; Wang, Yingcheng; Peng, Fangzhi; Shao, Zhihui","Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.","Chemical science","2023","14","39","10812","10823","10.1039/d3sc04581a","","x-ray","0.71073","MoKα","","0.0661","0.0472","","","0.1101","0.1185","","","","","","1.039","","","","has coordinates","287306","2023-11-06","06:51:02",""
"1569920","6.0455","0.0001","15.2328","0.0003","25.3404","0.0005","90","","90","","90","","2333.59","0.08","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O5 S -","- C26 H25 N O5 S -","- C104 H100 N4 O20 S4 -","4","1","","Luo, Pengfei; Li, Long; Mao, Xinfang; Sun, Zheng; Wang, Yingcheng; Peng, Fangzhi; Shao, Zhihui","Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.","Chemical science","2023","14","39","10812","10823","10.1039/d3sc04581a","","","1.54178","CuKα","","0.0406","0.0366","","","0.0922","0.0954","","","","","","1.047","","","","has coordinates,has disorder","287306","2023-11-06","06:51:02",""
"1569921","8.0066","0.0003","14.474","0.0006","19.8606","0.0008","90","","90","","90","","2301.6","0.16","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 F6 N O3 S -","- C25 H17 F6 N O3 S -","- C100 H68 F24 N4 O12 S4 -","4","1","","Luo, Pengfei; Li, Long; Mao, Xinfang; Sun, Zheng; Wang, Yingcheng; Peng, Fangzhi; Shao, Zhihui","Chemodivergence in Pd-catalyzed desymmetrization of allenes: enantioselective [4+3] cycloaddition, desymmetric allenylic substitution and enynylation.","Chemical science","2023","14","39","10812","10823","10.1039/d3sc04581a","","x-ray","0.71073","MoKα","","0.0324","0.0298","","","0.07","0.0717","","","","","","1.039","","","","has coordinates","287306","2023-11-06","06:51:02",""
"1569929","9.12559","0.00016","9.43073","0.00017","14.8426","0.0003","90","","90","","90","","1277.37","0.04","170","0.2","170","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,4S,5R,7R)-eremophila-3,4-epoxy-1(10),11-dien-2-one","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Dong, Jie; Zhou, Mi; Pan, Da-Bo; Qin, Qian-Yu; Li, Ting; Yao, Xin-Sheng; Li, Hai-Bo; Yu, Yang","Eremophilane and cadinane sesquiterpenoids from the fruits of <i>Alpinia oxyphylla</i> and their anti-inflammatory activities.","Food & function","2023","14","21","9755","9766","10.1039/d3fo01221b","","x-ray","1.54184","CuKα","","0.0345","0.0323","","","0.0856","0.0872","","","","","","1.037","","","","has coordinates","287351","2023-11-06","07:41:21",""
"1569930","8.1552","0.0006","20.429","0.002","27.192","0.003","90","","90","","90","","4530.3","0.7","150.15","","150.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,4R,5S,7S,9R)-eremophila-1(10),11-dien-2,9-diol","","- C46 H76 O7 -","- C46 H76 O7 -","- C184 H304 O28 -","4","1","","Dong, Jie; Zhou, Mi; Pan, Da-Bo; Qin, Qian-Yu; Li, Ting; Yao, Xin-Sheng; Li, Hai-Bo; Yu, Yang","Eremophilane and cadinane sesquiterpenoids from the fruits of <i>Alpinia oxyphylla</i> and their anti-inflammatory activities.","Food & function","2023","14","21","9755","9766","10.1039/d3fo01221b","","","1.54184","CuKα","","0.1099","0.0726","","","0.16","0.1909","","","","","","1.005","","","","has coordinates","287351","2023-11-06","07:41:21",""
"1569941","10.274","0.002","11.716","0.004","14.422","0.004","90","","90","","90","","1736","0.8","124","","124","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F3 N O3 S -","- C18 H16 F3 N O3 S -","- C72 H64 F12 N4 O12 S4 -","4","1","","Dethe, Dattatraya H.; Kumar, Vimlesh; Shukla, Manmohan","A palladium catalyzed asymmetric desymmetrization approach to enantioenriched 1,3-disubstituted isoindolines.","Chemical science","2023","14","40","11267","11272","10.1039/d3sc03496h","","x-ray","1.54178","CuKα","","0.0318","0.0317","","","0.0847","0.0848","","","","","","1.063","","","","has coordinates","287321","2023-11-06","07:02:00",""
"1569942","9.4122","0.0004","15.2241","0.0006","24.3198","0.0009","90","","90","","90","","3484.8","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H43 B F4 N4 -","- C37 H43 B F4 N4 -","- C148 H172 B4 F16 N16 -","4","1","","Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.","Broadening the catalytic region from the cavity to windows by M<sub>6</sub>L<sub>12</sub> nanospheres in cyclizations.","Chemical science","2023","14","42","11699","11707","10.1039/d3sc02998k","","","0.71073","MoKα","","0.0771","0.0639","","","0.1631","0.1706","","","","","","1.213","","","","has coordinates","287303","2023-11-06","06:48:44",""
"1569943","9.279","0.0004","15.5601","0.0006","24.1767","0.001","90","","90","","90","","3490.7","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Au Cl N4 -","- C37 H42 Au Cl N4 -","- C148 H168 Au4 Cl4 N16 -","4","1","","Xu, Meiling; Sun, Bin; Poole, 3rd, David A; Bobylev, Eduard O.; Jing, Xu; Wu, Jinguo; He, Cheng; Duan, Chunying; Reek, Joost N. H.","Broadening the catalytic region from the cavity to windows by M<sub>6</sub>L<sub>12</sub> nanospheres in cyclizations.","Chemical science","2023","14","42","11699","11707","10.1039/d3sc02998k","","","0.71073","MoKα","","0.0593","0.0584","","","0.1784","0.1795","","","","","","1.056","","","","has coordinates","287303","2023-11-06","06:48:50",""
"1570021","9.832","0.003","11.907","0.004","12.61","0.004","90","","90","","90","","1476.2","0.8","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Gandelman417b (Kuldeep)","","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Avigdori, Idan; Singh, Kuldeep; Fridman, Natalia; Gandelman, Mark","Nitrenium ions as new versatile reagents for electrophilic amination.","Chemical science","2023","14","43","12034","12040","10.1039/d3sc04268e","","","0.71073","MoKα","","0.1291","0.0612","","","0.125","0.1544","","","","","","1.083","","","","has coordinates","288732","2024-01-06","07:18:29",""
"1570086","14.1503","0.0002","19.7477","0.0004","25.7609","0.0004","90","","90","","90","","7198.5","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H53 N O2 S -","- C35 H53 N O2 S -","- C280 H424 N8 O16 S8 -","8","2","","Dang, Hang T.; Porey, Arka; Nand, Sachchida; Trevino, Ramon; Manning-Lorino, Patrick; Hughes, William B.; Fremin, Seth O.; Thompson, William T.; Dhakal, Shree Krishna; Arman, Hadi D.; Larionov, Oleg V.","Kinetically-driven reactivity of sulfinylamines enables direct conversion of carboxylic acids to sulfinamides.","Chemical science","2023","14","46","13384","13391","10.1039/d3sc04727j","","x-ray","1.54184","CuKα","","0.0737","0.0698","","","0.1556","0.1577","","","","","","1.062","","","","has coordinates","288737","2024-01-06","07:20:36",""
"1570097","5.8577","0.0001","10.4534","0.0002","17.3482","0.0003","90","","90","","90","","1062.28","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","pyridine:hexafluorobenzene","","- C11 H5 F6 N -","- C11 H5 F6 N -","- C44 H20 F24 N4 -","4","1","","Bear, Joseph Charles; Terzoudis, Nikitas; Cockcroft, Jeremy Karl","Single-crystal quality data from polycrystalline samples: finding the needle in the haystack.","IUCrJ","2023","10","6","","","10.1107/S2052252523008163","","x-ray","1.54184","CuKα","","0.0429","0.0346","","","0.0929","0.0983","","","","","","1.065","","","","has coordinates,has disorder","286893","2023-10-11","02:21:04",""
"1570101","7.5487","0.0001","11.1741","0.0002","18.1225","0.0003","90","","90","","90","","1528.63","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C64 H76 N4 O16 S4 -","4","1","","Liu, Juan; Du, Yi-Ying; He, Yu-Shi; Liang, Yan; Liu, Shang-Zhong; Li, Yi-Yi; Cao, Yi-Ming","Parallel kinetic resolution of aziridines <i>via</i> chiral phosphoric acid-catalyzed apparent hydrolytic ring-opening.","Chemical science","2023","14","43","12152","12159","10.1039/d3sc03899h","","","1.54178","CuKα","","0.0444","0.0429","","","0.1097","0.111","","","","","","1.089","","","","has coordinates","288730","2024-01-06","07:18:06",""
"1570105","7.3836","0.0002","17.6933","0.0006","18.4913","0.0006","90","","90","","90","","2415.71","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 N3 O2 -","- C30 H25 N3 O2 -","- C120 H100 N12 O8 -","4","1","","Wang, Cong-Shuai; Xiong, Qi; Xu, Hui; Yang, Hao-Ran; Dang, Yanfeng; Dong, Xiu-Qin; Wang, Chun-Jiang","Organocatalytic atroposelective synthesis of axially chiral <i>N</i>,<i>N</i>'-pyrrolylindoles <i>via de novo</i> indole formation.","Chemical science","2023","14","43","12091","12097","10.1039/d3sc03686c","","x-ray","1.54178","CuKα","","0.036","0.0317","","","0.0883","0.0924","","","","","","1.086","","","","has coordinates","288079","2023-12-06","14:30:03",""
"1570123","3.67957","0.00009","12.2687","0.0002","27.5101","0.0005","90","","90","","90","","1241.9","0.04","89.8","0.4","89.8","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 O4 -","- C18 H10 O4 -","- C72 H40 O16 -","4","1","","Nakano, Kyohei; Leong, Iat Wai; Hashizume, Daisuke; Bulgarevich, Kirill; Takimiya, Kazuo; Nishiyama, Yusuke; Yamazaki, Toshio; Tajima, Keisuke","Synthesis of 3,3'-dihydroxy-2,2'-diindan-1,1'-dione derivatives for tautomeric organic semiconductors exhibiting intramolecular double proton transfer.","Chemical science","2023","14","43","12205","12218","10.1039/d3sc04125e","","","0.71073","MoKα","","0.0519","0.0377","","","0.0917","0.0969","","","","","","1.059","","","","has coordinates","288731","2024-01-06","07:18:16",""
"1570170","6.4333","0.0002","11.2099","0.0003","15.6487","0.0005","90","","90","","90","","1128.53","0.06","101","3","101","3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 B F2 N O -","- C11 H14 B F2 N O -","- C44 H56 B4 F8 N4 O4 -","4","1","","Shinde, Ganesh H.; Ghotekar, Ganesh S.; Amombo Noa, Francoise M.; Öhrström, Lars; Norrby, Per-Ola; Sundén, Henrik","Regioselective <i>ortho</i> halogenation of <i>N</i>-aryl amides and ureas <i>via</i> oxidative halodeboronation: harnessing boron reactivity for efficient C-halogen bond installation.","Chemical science","2023","14","46","13429","13436","10.1039/d3sc04628a","","","1.54184","CuKα","","0.1","0.0921","","","0.2193","0.2244","","","","","","1.073","","","","has coordinates,has disorder","288740","2024-01-06","07:21:52",""
"1570172","6.9574","0.0001","10.4076","0.0002","22.6105","0.0004","90","","90","","90","","1637.22","0.05","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan","Enantioselective and collective total synthesis of pentacyclic 19-<i>nor</i>-clerodanes.","Chemical science","2023","14","44","12598","12605","10.1039/d3sc04335e","","x-ray","1.54184","CuKα","","0.0353","0.033","","","0.0835","0.0847","","","","","","1.063","","","","has coordinates","288721","2024-01-06","07:14:37",""
"1570173","6.6884","0.0001","7.0394","0.0002","35.4914","0.0007","90","","90","","90","","1671.02","0.06","172.95","0.13","172.95","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Zhang, Zhi-Mao; Zhang, Junliang; Cai, Quan","Enantioselective and collective total synthesis of pentacyclic 19-<i>nor</i>-clerodanes.","Chemical science","2023","14","44","12598","12605","10.1039/d3sc04335e","","x-ray","1.54184","CuKα","","0.0358","0.034","","","0.0857","0.087","","","","","","1.047","","","","has coordinates","288721","2024-01-06","07:14:37",""
"1570219","9.6713","0.0003","12.044","0.0004","31.4195","0.0009","90","","90","","90","","3659.8","0.2","301","2","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.57 H3.32 I0.15 N0.15 O0.45 -","- C2.56604 H3.32075 I0.150943 N0.150943 O0.45283 -","- C136 H176 I8 N8 O24 -","53","13.25","","Kongasseri, Anju Ajayan; Ansari, Shagufi Naz; Garain, Swadhin; Wagalgave, Sopan M.; George, Subi J.","Revisiting organic charge-transfer cocrystals for wide-range tunable, ambient phosphorescence.","Chemical science","2023","14","44","12548","12553","10.1039/d3sc04001a","","","0.71073","MoKα","","0.0628","0.039","","","0.0795","0.0925","","","","","","1.07","","","","has coordinates","288723","2024-01-06","07:14:57",""
"1570222","13.6941","0.0002","21.0294","0.0003","22.7326","0.0002","90","","90","","90","","6546.5","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C67 H96 Na2 O16 -","- C67 H96 Na2 O16 -","- C268 H384 Na8 O64 -","4","1","","Guo, Yumeng; Torchon, Herdya S.; Zhu, Yikun; Wei, Zheng; Zhang, Zhenyi; Han, Haixiang; Petrukhina, Marina A.; Zhou, Zheng","Stepwise deprotonation of truxene: structures, metal complexation, and charge-dependent optical properties.","Chemical science","2023","14","45","13219","13227","10.1039/d3sc04885c","","","1.54178","CuKα","","0.2595","0.175","","","0.3973","0.4689","","","","","","1.278","","","","has coordinates","288771","2024-01-06","07:40:24",""
"1570230","18.302","0.002","18.302","0.002","36.441","0.003","90","","90","","90","","12206","2","100","2","100","2","","","","","","","","1","P 21 21 21","P 2ac 2ab","19","","","","- P4 -","- P4 -","- P464 -","116","29","LT5062","Herbst-Irmer, Regine; Wang, Xiaobai; Haberstock, Laura; Köhne, Ingo; Oswald, Rainer; Behler, Jörg; Stalke, Dietmar","A new polymorph of white phosphorus at ambient conditions","IUCrJ","2023","10","6","766","771","10.1107/S2052252523009247","","","0.71073","MoKα","","0.0393","0.0363","","","0.0818","0.0836","","","","","","1.009","","","","has coordinates","287195","2023-11-01","03:25:38",""
"1570231","18.298","0.002","18.298","0.002","36.408","0.003","90","","90","","90","","12190","2","100","2","100","2","","","","","","","","1","P 21 21 21","P 2ac 2ab","19","","","","- P4 -","- P4 -","- P464 -","116","29","LT5062","Herbst-Irmer, Regine; Wang, Xiaobai; Haberstock, Laura; Köhne, Ingo; Oswald, Rainer; Behler, Jörg; Stalke, Dietmar","A new polymorph of white phosphorus at ambient conditions","IUCrJ","2023","10","6","766","771","10.1107/S2052252523009247","","","0.71073","MoKα","","0.036","0.0338","","","0.0758","0.0768","","","","","","1.127","","","","has coordinates","287195","2023-11-01","03:25:39",""
"1570247","5.0471","0.0001","12.5114","0.0003","22.2915","0.0005","90","","90","","90","","1407.63","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Sarhan, Ahmed A. M.; Haukka, Matti; Barakat, Assem; Soliman, Saied M.; Boraei, Ahmed T. A.; Sopaih, Manar; Salama, Eid E.","4-Methyl/Phenyl-1,2,5,6-tetraazafluoranthen-3(2H)-ones Synthesis: Mechanistic Pathway Study and Single-Crystal X-ray Analysis of the Intermediates","Crystals","2023","13","11","1537","","10.3390/cryst13111537","","","1.54184","CuKα","","0.0384","0.0332","","","0.0768","0.0794","","","","","","1.046","","","","has coordinates","287433","2023-11-06","15:21:02",""
"1570253","10.2733","0.0002","10.3627","0.0002","13.3957","0.0003","90","","90","","90","","1426.09","0.05","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0342","0.0325","","","0.0849","0.0869","","","","","","1.066","","","","has coordinates","288742","2024-01-06","07:22:18",""
"1570255","9.1977","0.0011","9.2073","0.0011","26.829","0.003","90","","90","","90","","2272","0.5","296","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0362","0.034","","","0.0925","0.0939","","","","","","1.037","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570256","9.1292","0.0006","9.1825","0.0006","26.703","0.0016","90","","90","","90","","2238.5","0.2","200","2","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.34139","GaKα","","0.0718","0.0546","","","0.1217","0.1352","","","","","","1.072","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570257","6.7959","0.0002","10.8224","0.0003","22.5827","0.0006","90","","90","","90","","1660.91","0.08","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O7 -","- C15 H26 O7 -","- C60 H104 O28 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.052","0.0456","","","0.1139","0.12","","","","","","1.051","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570259","10.4619","0.0019","10.6895","0.0019","11.617","0.002","90","","90","","90","","1299.2","0.4","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0455","0.0438","","","0.1129","0.1151","","","","","","1.053","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570262","6.9481","0.0002","15.6259","0.0004","20.1605","0.0004","90","","90","","90","","2188.83","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 -","- C25 H32 O5 -","- C100 H128 O20 -","4","1","","Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min","Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.","Chemical science","2023","14","46","13410","13418","10.1039/d3sc04238c","","","1.54178","CuKα","","0.0353","0.032","","","0.0738","0.0763","","","","","","1.049","","","","has coordinates","288742","2024-01-06","07:22:19",""
"1570280","7.6432","0.0001","15.3112","0.0004","19.78","0.0004","90","","90","","90","","2314.79","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nandrolone_cypionate","19_nortestosterone_17β_cyclopentanepropionate","","- C26 H38 O3 -","- C26 H38 O3 -","- C104 H152 O12 -","4","1","","Mare, Liviu; Muresan-Pop, Marieta; Purcea Lopes, Pompilia Mioara; Turza, Alexandru; Borodi, Gheorghe; Popescu, Violeta","Crystal Structure and Intermolecular Energy for Some Nandrolone Esters.","Molecules (Basel, Switzerland)","2023","28","20","7179","","10.3390/molecules28207179","","x-ray","1.54184","CuKα","","0.071","0.0652","","","0.1986","0.2089","","","","","","1.061","","","","has coordinates","287464","2023-11-07","03:02:45",""
"1570299","9.38279","0.000086","11.8196","0.00009","16.03958","0.00015","90","","90","","90","","1778.8","0.03","294","","294","2","","","1000","","","","","5","P 21 21 21","P 2ac 2ab","19","Bistetramethylammonium hydrogencyclo-triphosphate","Bistetramethylammonium hydrogencyclo-triphosphate","","- C8 H25 N2 O9 P3 -","- C8 H25 N2 O9 P3 -","- C32 H100 N8 O36 P12 -","4","1","","Mangstl, Martin; Celinski, Vinicius R.; Pritzel, Christian; Trettin, Reinhard; Schmedt auf der Günne, Jörn","Irreversible Phase Transition of Bistetramethylammonium Hydrogencyclotriphosphate","Zeitschrift für anorganische und allgemeine Chemie","2017","643","21","1609","1614","10.1002/zaac.201700246","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.01471","","1.61","","","","","","","has coordinates","287579","2023-11-14","07:28:05",""
"1570329","6.4447","0.0002","9.8276","0.0003","12.3314","0.0004","90","","90","","90","","781.02","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 Br F O3 -","- C7 H6 Br F O3 -","- C28 H24 Br4 F4 O12 -","4","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","<i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","x-ray","1.54178","CuKα","","0.0139","0.0138","","","0.0351","0.0352","","","","","","1.084","","","","has coordinates","288744","2024-01-06","07:23:05",""
"1570331","7.0038","0.0001","15.9234","0.0002","28.8087","0.0004","90","","90","","90","","3212.87","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 I N2 O10 -","- C26 H33 I N2 O10 -","- C104 H132 I4 N8 O40 -","4","1","","Stünkel, Timo; Siebold, Kathrin; Okumatsu, Daichi; Murata, Kazuki; Ruyet, Louise; Daniliuc, Constantin G.; Gilmour, Ryan","<i>para</i>-Selective dearomatization of phenols by I(i)/I(iii) catalysis-based fluorination.","Chemical science","2023","14","46","13574","13580","10.1039/d3sc05952a","","single crystal","1.54178","CuKα","","0.0305","0.0285","","","0.071","0.0721","","","","","","1.064","","","","has coordinates,has disorder","288744","2024-01-06","07:23:05",""
"1570342","9.2702","0.0004","10.5154","0.0004","12.0275","0.0005","90","","90","","90","","1172.44","0.08","298","2","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","boron tribromide - N,N-dimethylaniline","","- C8 H11 B Br3 N -","- C8 H11 B Br3 N -","- C32 H44 B4 Br12 N4 -","4","1","","Turnbull, Douglas; Légaré, Marc-André","Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.","Chemical science","2023","14","48","14256","14261","10.1039/d3sc05071h","","","1.54178","CuKα","","0.032","0.0302","","","0.0713","0.0729","","","","","","1.0378","","","","has coordinates","288759","2024-01-06","07:30:19",""
"1570358","9.15002","0.00004","14.0725","0.00007","14.39225","0.00007","90","","90","","90","","1853.2","0.015","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F3 N O4 -","- C19 H22 F3 N O4 -","- C76 H88 F12 N4 O16 -","4","1","","Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D.","Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters.","Chemical science","2023","14","48","14146","14156","10.1039/d3sc05470e","","x-ray","1.54184","CuKα","","0.0316","0.0315","","","0.0825","0.0826","","","","","","1.105","","","","has coordinates","288753","2024-01-06","07:26:14",""
"1570359","9.32874","0.00006","14.9932","0.00009","16.18409","0.00011","90","","90","","90","","2263.63","0.03","125","","125","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl F2 N2 O5 -","- C23 H21 Cl F2 N2 O5 -","- C92 H84 Cl4 F8 N8 O20 -","4","1","","Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D.","Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters.","Chemical science","2023","14","48","14146","14156","10.1039/d3sc05470e","","x-ray","1.54184","CuKα","","0.0257","0.0254","","","0.0676","0.0678","","","","","","1.047","","","","has coordinates","288753","2024-01-06","07:26:24",""
"1570360","9.9425","0.0002","18.8834","0.0003","22.242","0.0004","90","","90","","90","","4175.9","0.13","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F3 N O4 -","- C23 H22 F3 N O4 -","- C184 H176 F24 N8 O32 -","8","2","","Yuan, Ding; Goodfellow, Alister S.; Kasten, Kevin; Duan, Zhuan; Kang, Tengfei; Cordes, David B.; McKay, Aidan P.; Bühl, Michael; Boyce, Gregory R.; Smith, Andrew D.","Understanding divergent substrate stereoselectivity in the isothiourea-catalysed conjugate addition of cyclic α-substituted β-ketoesters to α,β-unsaturated aryl esters.","Chemical science","2023","14","48","14146","14156","10.1039/d3sc05470e","","x-ray","1.54184","CuKα","","0.0263","0.0257","","","0.0673","0.0677","","","","","","1.014","","","","has coordinates","288753","2024-01-06","07:26:27",""
"1570376","7.9089","0.0002","15.0721","0.0003","17.4446","0.0004","90","","90","","90","","2079.46","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O3 -","- C26 H24 O3 -","- C104 H96 O12 -","4","1","","Zeng, Hongkun; Wang, Lifeng; Su, Zhishan; Ying, Meijia; Lin, Lili; Feng, Xiaoming","Chiral cobalt(ii) complex-promoted asymmetric <i>para</i>-Claisen rearrangement of allyl α-naphthol ethers.","Chemical science","2023","14","47","13979","13985","10.1039/d3sc05677e","","","1.54178","CuKα","","0.0341","0.0321","","","0.0758","0.0775","","","","","","1.06","","","","has coordinates","288748","2024-01-06","07:24:15",""
"1570377","7.8307","0.0001","15.5594","0.0003","21.1844","0.0004","90","","90","","90","","2581.13","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 O3 -","- C31 H26 O3 -","- C124 H104 O12 -","4","1","","Zeng, Hongkun; Wang, Lifeng; Su, Zhishan; Ying, Meijia; Lin, Lili; Feng, Xiaoming","Chiral cobalt(ii) complex-promoted asymmetric <i>para</i>-Claisen rearrangement of allyl α-naphthol ethers.","Chemical science","2023","14","47","13979","13985","10.1039/d3sc05677e","","","1.54178","CuKα","","0.0722","0.0672","","","0.1655","0.1697","","","","","","1.055","","","","has coordinates,has disorder","288748","2024-01-06","07:24:15",""
"1570419","8.7346","0.0003","9.9202","0.0003","28.6562","0.0008","90","","90","","90","","2483.03","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 O4 -","- C30 H34 O4 -","- C120 H136 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0514","0.0511","","","0.1454","0.1463","","","","","","1.085","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570420","8.8971","0.0002","15.2326","0.0003","18.8392","0.0003","90","","90","","90","","2553.2","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O4 -","- C30 H38 O4 -","- C120 H152 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0345","0.0344","","","0.0889","0.089","","","","","","1.068","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570421","8.7065","0.0002","13.1797","0.0002","22.9727","0.0004","90","","90","","90","","2636.1","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 O5 -","- C30 H40 O5 -","- C120 H160 O20 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0318","0.0307","","","0.0794","0.0806","","","","","","1.048","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570422","8.6842","0.0002","15.4286","0.0003","19.2929","0.0004","90","","90","","90","","2584.96","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 O4 -","- C30 H40 O4 -","- C120 H160 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.044","0.0438","","","0.1145","0.1147","","","","","","1.045","","","","has coordinates","289410","2024-02-04","11:30:35",""
"1570423","8.733","0.0005","9.9169","0.0006","28.6719","0.0017","90","","90","","90","","2483.1","0.3","101","2","101","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 O4 -","- C30 H34 O4 -","- C120 H136 O16 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0396","0.0376","","","0.0978","0.0997","","","","","","1.043","","","","has coordinates","289410","2024-02-04","11:30:36",""
"1570424","8.2056","0.0002","9.4771","0.0002","16.4429","0.0003","90","","90","","90","","1278.69","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O -","- C15 H22 O -","- C60 H88 O4 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0312","0.0302","","","0.0802","0.0813","","","","","","1.101","","","","has coordinates","289410","2024-02-04","11:30:36",""
"1570425","8.2085","0.0003","9.4732","0.0003","16.4463","0.0006","90","","90","","90","","1278.88","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O -","- C15 H22 O -","- C60 H88 O4 -","4","1","","He, Tao-Bin; Yan, Bing-Chao; Zhou, Yuan-Fei; Sang, Yue-Qian; Li, Xiao-Nian; Sun, Han-Dong; Wang, Chu; Xue, Xiao-Song; Puno, Pema-Tenzin","Discovery and bioinspired total syntheses of unprecedented sesquiterpenoid dimers unveiled bifurcating [4 + 2] cycloaddition and target differentiation of enantiomers.","Chemical science","2024","15","4","1260","1270","10.1039/d3sc05233h","","","1.54178","CuKα","","0.0309","0.0306","","","0.0789","0.0791","","","","","","1.061","","","","has coordinates","289410","2024-02-04","11:30:36",""
"1570472","6.6147","0.0001","8.8811","0.0002","11.0758","0.0002","90","","90","","90","","650.66","0.02","100","0.11","100","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Zhou, Tong; Guo, Yu-Ting; Yang, Chun; Meng, Xian-Bin; Du, Fu-Sheng; Li, Zi-Chen","High-Tg PLA copolymers via base-catalyzed transesterification of PLA with 2,5,7-trioxabicyclo[2.2.2]octan-6-one","Polymer Chemistry","2024","15","3","156","165","10.1039/D3PY01250F","","x-ray","1.54184","CuKα","","0.0271","0.0254","","","0.0606","0.0613","","","","","","1.038","","","","has coordinates","289650","2024-02-04","12:33:16",""
"1570496","6.2918","0.0001","7.9579","0.0001","37.036","0.0005","90","","90","","90","","1854.37","0.05","99.9","0.3","99.9","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 S2 -","- C19 H21 N O4 S2 -","- C76 H84 N4 O16 S8 -","4","1","","Lipilin, Dmitry L.; Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Dilman, Alexander D.","Direct conversion of carboxylic acids to free thiols <i>via</i> radical relay acridine photocatalysis enabled by N-O bond cleavage.","Chemical science","2024","15","2","644","650","10.1039/d3sc05513b","","x-ray","1.54184","CuKα","","0.0481","0.0463","","","0.1209","0.1219","","","","","","1.086","","","","has coordinates","289417","2024-02-04","11:31:32",""
"1570513","8.6966","0.0006","15.916","0.0012","19.1276","0.0019","90","","90","","90","","2647.5","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N2 Ni O P -","- C30 H35 N2 Ni O P -","- C120 H140 N8 Ni4 O4 P4 -","4","1","","Wang, Wenbing; Nie, Nan; Xu, Menghe; Zou, Chen","Lewis acid modulation in phosphorus phenol nickel catalyzed ethylene polymerization and copolymerization","Polymer Chemistry","2023","14","43","4933","4939","10.1039/D3PY00925D","","","0.71073","MoKα","","0.0973","0.0572","","","0.0925","0.1121","","","","","","1.043","","","","has coordinates","288067","2023-12-06","03:27:45",""
"1570520","9.3561","0.0001","12.3477","0.0002","18.1889","0.0003","90","","90","","90","","2101.3","0.05","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cl6 In N3 O -","- C10 H28 Cl6 In N3 O -","- C40 H112 Cl24 In4 N12 O4 -","4","1","","Li, Dong-Yang; Kang, Huai-Yuan; Liu, Yu-Hang; Zhang, Jie; Yue, Cheng-Yang; Yan, Dongpeng; Lei, Xiao-Wu","A 0D hybrid lead-free halide with near-unity photoluminescence quantum yield toward multifunctional optoelectronic applications.","Chemical science","2024","15","3","953","963","10.1039/d3sc05245a","","","0.71073","MoKα","","0.0276","0.0237","","","0.0543","0.0558","","","","","","1.0168","","","","has coordinates","289428","2024-02-04","11:34:07",""
"1570559","8.5075","0.0002","9.6128","0.0002","16.4841","0.0004","90","","90","","90","","1348.08","0.05","99.9","0.6","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N -","- C17 H18 N -","- C68 H72 N4 -","4","1","","Rago, Alexander J.; Ye, Rong; Liu, Xin; Dong, Guangbin","A four-component reaction to access 3,3-disubstituted indolines <i>via</i> the palladium-norbornene-catalyzed <i>ortho</i> amination/<i>ipso</i> conjunctive coupling.","Chemical science","2024","15","4","1318","1323","10.1039/d3sc06409c","","","1.54184","CuKα","","0.049","0.0454","","","0.1197","0.129","","","","","","1.083","","","","has coordinates,has disorder","289412","2024-02-04","11:30:49",""
"1570585","5.8943","0.0005","13.4561","0.0011","27.524","0.002","90","","90","","90","","2183","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N2 O3 -","- C26 H21 Cl N2 O3 -","- C104 H84 Cl4 N8 O12 -","4","1","","Formen, Jeffrey S. S. K.; Hassan, Diandra S.; Wolf, Christian","Chemometric sensing of stereoisomeric compound mixtures with a redox-responsive optical probe.","Chemical science","2024","15","4","1498","1504","10.1039/d3sc05706b","","","0.71073","MoKα","","0.0308","0.0262","","","0.0597","0.0617","","","","","","1.057","","","","has coordinates","289404","2024-02-04","11:27:50",""
"1570587","6.1782","0.0002","11.4363","0.0004","31.3637","0.0009","90","","90","","90","","2216.03","0.12","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Cl N O3 S -","- C26 H24 Cl N O3 S -","- C104 H96 Cl4 N4 O12 S4 -","4","1","","Das, Kousik; Pedada, Abhilash; Singha, Tushar; Hari, Durga Prasad","Strain-enabled radical spirocyclization cascades: rapid access to spirocyclobutyl lactones and - lactams.","Chemical science","2024","15","9","3182","3191","10.1039/d3sc05700c","","","0.71073","MoKα","","0.055","0.0525","","","0.1143","0.1157","","","","","","1.102","","","","has coordinates","290137","2024-03-04","20:05:20",""
"1570592","8.6715","0.0001","9.651","0.0001","15.2097","0.0002","90","","90","","90","","1272.88","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F2 -","- C17 H14 F2 -","- C68 H56 F8 -","4","1","","Chakrabarti, Kaushik; Wade Wolfe, Michael M.; Guo, Shuo; Tucker, Joseph W.; Lee, Jisun; Szymczak, Nathaniel K.","A metal-free strategy to construct fluoroalkyl-olefin linkages using fluoroalkanes.","Chemical science","2024","15","5","1752","1757","10.1039/d3sc05616c","","x-ray","1.54184","CuKα","","0.0396","0.0386","","","0.1027","0.1038","","","","","","1.081","","","","has coordinates","289402","2024-02-04","11:27:30",""
"1570630","5.23281","0.00004","11.33461","0.00009","22.611","0.0002","90","","90","","90","","1341.1","0.019","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Obieta, Maria; Urgoitia, Garazi; Herrero, María Teresa; SanMartin, Raul","Efficient iron-catalyzed direct acylation of amines with carboxylic acids and esters under oxygenated conditions","Catalysis Science & Technology","2024","14","2","478","488","10.1039/D3CY01429K","","x-ray","1.54184","CuKα","","0.0286","0.0281","","","0.0721","0.0725","","","","","","1.075","","","","has coordinates","289313","2024-02-04","10:58:23",""
"1570641","12.0126","0.0001","17.1438","0.0001","19.7933","0.0001","90","","90","","90","","4076.26","0.05","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H55 Cu Ge N2 -","- C46 H55 Cu Ge N2 -","- C184 H220 Cu4 Ge4 N8 -","4","1","","Charman, Rex S. C.; Evans, Nick J.; English, Laura E.; Neale, Samuel E.; Vasko, Petra; Mahon, Mary F.; Liptrot, David J.","The structures and reactivity of NHC-supported copper(i) triphenylgermyls","Chemical Science","2024","15","2","584","593","10.1039/D3SC05862J","","x-ray","1.54184","CuKα","","0.0566","0.0564","","","0.1432","0.1433","","","","","","1.121","","","","has coordinates,has disorder","288659","2024-01-03","23:19:32",""
"1570652","9.771","0.003","21.156","0.007","22.933","0.008","90","","90","","90","","4741","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H42 Cl2 N6 -","- C57 H42 Cl2 N6 -","- C228 H168 Cl8 N24 -","4","1","","Chatterjee, Abhijit; Chatterjee, Joy; Sappati, Subrahmanyam; Tanwar, Riteeka; Ambhore, Madan D.; Arfin, Habibul; Umesh, Rintu M.; Lahiri, Mayurika; Mandal, Pankaj; Hazra, Partha","Engineering TADF, mechanochromism, and second harmonic up-conversion properties in regioisomeric substitution space.","Chemical science","2023","14","47","13832","13841","10.1039/d3sc04280d","","","0.71073","MoKα","","0.1403","0.067","","","0.1568","0.1857","","","","","","1.039","","","","has coordinates","288674","2024-01-04","10:02:02",""
"1570736","8.2561","0.0003","8.6468","0.0004","27.5966","0.0013","90","","90","","90","","1970.09","0.15","150","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis(butylammonium) triiodo-germanium(ii) iodide","","- C8 H24 Ge I4 N2 -","- C8 H24 Ge I4 N2 -","- C32 H96 Ge4 I16 N8 -","4","1","","Morteza Najarian, Amin; Dinic, Filip; Chen, Hao; Sabatini, Randy; Zheng, Chao; Lough, Alan J.; Maris, Thierry; Saidaminov, Makhsud I.; Garcia de Arquer, F. Pelayo; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Homomeric Chains of intermolecular bonds scaffold octahedral germanium perovskites","Nature","2023","620","","328","335","10.1038/s41586-023-06209-y","","","1.34139","GaKα","","0.097","0.0623","","","0.1597","0.1768","","","","","","1.035","","","","has coordinates","288971","2024-01-09","19:18:57",""
"1570770","9.9467","0.0004","10.7574","0.0006","19.8365","0.0009","90","","90","","90","","2122.52","0.17","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 Si -","- C21 H26 N2 O4 Si -","- C84 H104 N8 O16 Si4 -","4","1","","Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.","An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>.","Chemical science","2024","15","7","2648","2654","10.1039/d3sc05672d","","","0.71073","MoKα","","0.0418","0.0354","","","0.0816","0.0858","","","","","","1.03","","","","has coordinates","290129","2024-03-04","20:03:33",""
"1570779","6.5385","0.0002","16.7263","0.0008","19.0096","0.0011","90","","90","","90","","2078.98","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-Dichloridobis[(<i>S</i>)-(–)-1-(4-methylphenyl)ethylamine-κ<i>N</i>]palladium(II)","","- C18 H26 Cl2 N2 Pd -","- C18 H26 Cl2 N2 Pd -","- C72 H104 Cl8 N8 Pd4 -","4","1","WM4204","Hernández Téllez, Guadalupe; Moreno Morales, Gloria E.; Sharma, Pankaj; Gonzalez, Rodary; Anzaldo, Bertin","trans-Dichloridobis[(S)-(−)-1-(4-methylphenyl)ethylamine-κN]palladium(II)","IUCrData","2024","9","1","","","10.1107/S2414314624000361","","","0.71073","MoKα","","0.0798","0.0492","","","0.0851","0.0954","","","","","","1.046","","","","has coordinates","289080","2024-01-13","02:43:52",""
"1570832","6.60006","0.00018","7.7434","0.0003","55.33","0.0013","90","","90","","90","","2827.75","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H46 O17 -","- C23 H46 O17 -","- C92 H184 O68 -","4","1","","Arishi, Amr A.; Shang, Zhuo; Lacey, Ernest; Crombie, Andrew; Vuong, Daniel; Li, Hang; Bracegirdle, Joe; Turner, Peter; Lewis, William; Flematti, Gavin R.; Piggott, Andrew M.; Chooi, Yit-Heng","Discovery and heterologous biosynthesis of glycosylated polyketide luteodienoside A reveals unprecedented glucinol-mediated product offloading by a fungal carnitine <i>O</i>-acyltransferase domain.","Chemical science","2024","15","9","3349","3356","10.1039/d3sc05008d","","x-ray","1.54184","CuKα","","0.0562","0.0528","","","0.0992","0.1013","","","","","","1.146","","","","has coordinates","290138","2024-03-04","20:05:30",""
"1570857","5.3341","0.0011","7.7048","0.0016","20.413","0.004","90","","90","","90","","838.9","0.3","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","","Shan, Si-Yi; Zhang, Wei; Cao, Qing; Ye, Yun-Cong; Cai, Zhongzheng; Zhu, Jian-Bo","cis-Fused cyclohexane promoted the chemical recycling of polycarbonate to monomer","Polymer Chemistry","2024","15","11","1070","1076","10.1039/D4PY00005F","","","1.54178","CuKα","","0.0312","0.031","","","0.0774","0.0775","","","","","","1.096","","","","has coordinates","291071","2024-04-05","00:18:33",""
"1570868","9.1622","0.0001","10.5718","0.0002","19.3536","0.0004","90","","90","","90","","1874.61","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-er an-SbCl","","- C6 H24 Cl7 N4 Sb -","- C6 H24 Cl7 N4 Sb -","- C24 H96 Cl28 N16 Sb4 -","4","1","","Han, Xiao; Cheng, Puxin; Han, Shanshan; Wang, Zhihua; Guan, Junjie; Han, Wenqing; Shi, Rongchao; Chen, Songhua; Zheng, Yongshen; Xu, Jialiang; Bu, Xian-He","Multi-stimuli-responsive luminescence enabled by crown ether anchored chiral antimony halide phosphors.","Chemical science","2024","15","10","3530","3538","10.1039/d3sc06362c","","x-ray","0.71073","MoKα","","0.0139","0.0135","","","0.0288","0.0289","","","","","","1.046","","","","has coordinates","290840","2024-04-04","22:46:24",""
"1570899","10.1725","0.0003","10.5825","0.0003","18.4246","0.0005","90","","90","","90","","1983.42","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 O3 P -","- C26 H17 O3 P -","- C104 H68 O12 P4 -","4","1","","Ferraro, Valentina; Castro, Jesús; Bortoluzzi, Marco","Luminescent Behavior of Zn(II) and Mn(II) Halide Derivatives of 4-Phenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-Oxide and Single-Crystal X-ray Structure Determination of the Ligand.","Molecules (Basel, Switzerland)","2024","29","1","239","","10.3390/molecules29010239","","","0.71073","MoKα","","0.0277","0.0273","","","0.0731","0.0734","","","","","","1.091","","","","has coordinates","289657","2024-02-05","05:05:52",""
"1570934","5.8281","0.0011","11.54","0.002","15.611","0.002","90","","90","","90","","1049.9","0.3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 B F2 N O2 -","- C10 H12 B F2 N O2 -","- C40 H48 B4 F8 N4 O8 -","4","1","","Ikeshita, Masahiro; Ichinose, Miku; Tsuno, Takashi","Luminescent solvent-free liquids based on Schiff-base boron difluoride complexes with polyethylene glycol chains.","Soft matter","2024","20","9","2178","2184","10.1039/d3sm01590d","","x-ray","0.71073","MoKα","","0.1052","0.0655","","","0.118","0.1304","","","","","","0.98","","","","has coordinates","290287","2024-03-04","20:47:19",""
"1571065","22.8453","0.0003","23.793","0.0003","26.4043","0.0003","90","","90","","90","","14352.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C120 H204 Au12 Cd2 S12 -","- C120 H204 Au12 Cd2 S12 -","- C480 H816 Au48 Cd8 S48 -","4","1","","Zhou, Jun; Yang, Xiaofei; Zheng, Peisen; Li, Qinzhen; Li, Xiaowu; Chai, Jinsong; Huang, Baoyu; Yang, Sha; Zhu, Manzhou","Construction of an Au<sub>12</sub>Cd<sub>2</sub> nanocluster with circularly polarized luminescence by a metal- and ligand-exchange strategy.","Chemical science","2024","15","13","4853","4859","10.1039/d3sc06810b","","","1.54186","CuKα","","0.0847","0.0656","","","0.1691","0.1769","","","","","","0.974","","","","has coordinates","290846","2024-04-04","22:48:48",""
"1571073","6.0177","0.0001","14.5243","0.0003","23.7109","0.0005","90","","90","","90","","2072.4","0.07","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C104 H92 N4 O8 -","4","1","","Zhan, Tangyu; Zhou, Liang; Zhou, Yuqiao; Yang, Bingqian; Feng, Xiaoming; Liu, Xiaohua","Iron<sup>III</sup>-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of dioxopyrrolidines with simple olefins.","Chemical science","2024","15","13","4797","4803","10.1039/d4sc00078a","","","1.54178","CuKα","","0.0382","0.035","","","0.0809","0.0824","","","","","","1.044","","","","has coordinates","290845","2024-04-04","22:48:24",""
"1571074","8.7506","0.0002","9.999","0.0002","25.027","0.0006","90","","90","","90","","2189.79","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Zhan, Tangyu; Zhou, Liang; Zhou, Yuqiao; Yang, Bingqian; Feng, Xiaoming; Liu, Xiaohua","Iron<sup>III</sup>-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of dioxopyrrolidines with simple olefins.","Chemical science","2024","15","13","4797","4803","10.1039/d4sc00078a","","","1.54178","CuKα","","0.037","0.0364","","","0.0951","0.0958","","","","","","1.054","","","","has coordinates","290845","2024-04-04","22:48:25",""
"1571091","13.5866","0.0008","25.3514","0.0014","28.7868","0.0015","90","","90","","90","","9915.3","1","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","HIAM-4040","","- C33 H15 N2 O32 Zr6 -","- C33 H15 N2 O32 Zr6 -","- C132 H60 N8 O128 Zr24 -","4","1","","Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan","Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr<sub>6</sub> clusters.","Chemical science","2024","15","9","3174","3181","10.1039/d3sc05410a","","","1.34139","GaKα","","0.0512","0.0383","","","0.0878","0.092","","","","","","0.913","","","","has coordinates","290044","2024-03-04","02:09:41",""
"1571150","8.3944","0.0008","9.3978","0.0008","20.419","0.002","90","","90","","90","","1610.8","0.3","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Li, Jiaming; Ni, Hao; Zhang, Weiwei; Lai, Zhencheng; Jin, Huimin; Zeng, Linwei; Cui, Sunliang","A multicomponent reaction for modular assembly of indole-fused heterocycles","Chemical Science","2024","15","14","5211","5217","10.1039/D4SC00522H","","","1.54178","CuKα","","0.0432","0.0431","","","0.1051","0.1052","","","","","","1.187","","","","has coordinates","290833","2024-04-04","22:40:24",""
"1571201","9.39428","0.00009","11.00098","0.00013","20.6966","0.0002","90","","90","","90","","2138.92","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N3 O P -","- C25 H24 N3 O P -","- C100 H96 N12 O4 P4 -","4","1","","Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.","Electrosynthesis of iminophosphoranes and applications in nickel catalysis.","Chemical science","2024","15","16","5980","5992","10.1039/d3sc05357a","","x-ray","1.54184","CuKα","","0.0263","0.0257","","","0.0644","0.0649","","","","","","1.04","","","","has coordinates","291567","2024-05-05","01:39:18",""
"1571212","6.4286","0.0001","8.7411","0.0002","33.5094","0.0006","90","","90","","90","","1882.99","0.06","296.3","0.6","296.3","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 F4 N O -","- C24 H17 F4 N O -","- C96 H68 F16 N4 O4 -","4","1","","Fang, Chao; Wang, Quan-Pu; Xu, Bing; Zhang, Zhan-Ming; Zhang, Junliang","Palladium/XuPhos-catalyzed enantioselective cascade Heck/intermolecular C(sp<sup>2</sup>)-H alkylation reaction.","Chemical science","2024","15","15","5573","5580","10.1039/d4sc00262h","","x-ray","1.54184","CuKα","","0.0334","0.0302","","","0.0769","0.079","","","","","","1.06","","","","has coordinates","291587","2024-05-05","02:01:28",""
"1571261","7.8263","0.0004","11.618","0.0006","28.9031","0.0015","90","","90","","90","","2628","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 N3 O -","- C33 H31 N3 O -","- C132 H124 N12 O4 -","4","1","","Dai, Lei; Zhou, Xueting; Guo, Jiami; Huang, Qingqin; Lu, Yixin","Copper-catalyzed atroposelective synthesis of C-O axially chiral compounds enabled by chiral 1,8-naphthyridine based ligands.","Chemical science","2024","15","16","5993","6001","10.1039/d4sc01074d","","","1.54178","CuKα","","0.0252","0.0251","","","0.0637","0.0639","","","","","","1.067","","","","has coordinates","291569","2024-05-05","01:40:33",""
"1571267","6.2497","0.0002","13.8633","0.0006","14.6254","0.0005","90","","90","","90","","1267.17","0.08","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl <i>N</i>-{(1<i>R</i>)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","HB4464","Mendoza Herrera, María del Consuelo; Sampedro Cruz, Mario; Pérez Díaz, Lydia María; Rivera Márquez, José Antonio; Orea Flores, Laura; Bernès, Sylvain","Methyl N-{(1R)-2-[(methoxycarbonyl)oxy]-1-phenylethyl}carbamate","IUCrData","2024","9","3","","","10.1107/S2414314624002220","","x-ray","0.71073","MoKα","","0.0667","0.0464","","","0.1072","0.1183","","","","","","1.026","","","","has coordinates","290615","2024-03-23","03:19:31",""
"1571270","7.5425","0.0003","17.6838","0.0009","18.892","0.0011","90","","90","","90","","2519.8","0.2","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane","","- C29 H31 Fe2 N O S2 -","- C29 H31 Fe2 N O S2 -","- C116 H124 Fe8 N4 O4 S8 -","4","1","TK4101","Oliva-Colunga, Claudia; Sánchez García, Jessica J.; Flores-Alamo, Marcos; Klimova, Elena I.","2-Ferrocenyl-2-[(2-ferrocenylethenyl)(morpholin-4-yl)methyl]-1,3-dithiolane","IUCrData","2024","9","3","","","10.1107/S2414314624002347","","","0.71073","MoKα","","0.0631","0.0555","","","0.1274","0.1386","","","","","","1.056","","","","has coordinates,has disorder","290618","2024-03-23","03:20:18",""
"1571307","9.6167","0.0008","12.0209","0.001","18.8367","0.0016","90","","90","","90","","2177.5","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C104 H112 O16 -","4","1","","Xu, Fan; Sheng, Jinyu; Stindt, Charlotte N.; Crespi, Stefano; Danowski, Wojciech; Hilbers, Michiel; Buma, Wybren Jan; Feringa, Ben L.","All-Visible-Light-Driven Stiff-stilbene Photoswitches","Chemical Science","2024","","","","","10.1039/D4SC00983E","","","0.71073","MoKα","","0.0766","0.0545","","","0.1163","0.1297","","","","","","1.025","","","","has coordinates","290698","2024-03-28","23:09:47",""
"1571320","16.81721","0.00016","19.7326","0.0002","20.13034","0.00017","90","","90","","90","","6680.2","0.11","140","0.1","140","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H111 Fe N2 O3 P4 U -","- C62 H111 Fe N2 O3 P4 U -","- C248 H444 Fe4 N8 O12 P16 U4 -","4","1","","Jori, Nadir; Moreno, Juan J.; Shivaraam, R. A. Keerthi; Rajeshkumar, Thayalan; Scopelliti, Rosario; Maron, Laurent; Campos, Jesús; Mazzanti, Marinella","Iron promoted end-on dinitrogen-bridging in heterobimetallic complexes of uranium and lanthanides","Chemical Science","2024","","","","","10.1039/D4SC01050G","","x-ray","1.54184","CuKα","","0.0283","0.0263","","","0.0621","0.063","","","","","","1.091","","","","has coordinates,has disorder","290732","2024-04-02","22:19:49",""
"1571350","15.94855","0.00011","22.45159","0.00016","25.0337","0.00019","90","","90","","90","","8963.82","0.11","139.99","0.1","139.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C102 H108 Ce O10 Si4 -","- C94 H92 Ce O8 Si4 -","- C376 H368 Ce4 O32 Si16 -","4","1","","Tricoire, Maxime; Hsueh, Fang-Che; Keener, Megan; Rajeshkumar, Thayalan; Scopelliti, Rosario; Zivkovic, Ivica; Maron, Laurent; Mazzanti, Marinella","Siloxide tripodal ligands as a scaffold for stabilizing lanthanides in the +4 oxidation state.","Chemical Science","2024","","","","","10.1039/D4SC00051J","","x-ray","1.54184","CuKα","","0.0431","0.0409","","","0.1073","0.1097","","","","","","1.03","","","","has coordinates,has disorder","290738","2024-04-02","22:24:30",""
"1571370","4.00906","0.00004","11.18764","0.0001","28.593","0.0002","90","","90","","90","","1282.45","0.019","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O5 -","- C14 H11 N O5 -","- C56 H44 N4 O20 -","4","1","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","","1.54184","CuKα","","0.0402","0.0387","","","0.1019","0.1035","","","","","","1.1213","","","","has coordinates,has disorder","290774","2024-04-04","00:54:35",""
"1571371","4.0056","0.0002","11.2133","0.0004","28.6053","0.0011","90","","90","","90","","1284.84","0.09","288","15","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br0.1 N0.9 O4.8 -","- C14 H10 Br0.1 N0.9 O4.8 -","- C56 H40 Br0.4 N3.6 O19.2 -","4","1","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","","1.54184","CuKα","","0.0579","0.0484","","","0.1301","0.1362","","","","","","1.064","","","","has coordinates,has disorder","290774","2024-04-04","00:54:36",""
"1571373","3.9536","0.0001","11.245","0.0001","30.6382","0.0005","90","","90","","90","","1362.12","0.04","285","12","285","12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","Mondal, Saikat; Reddy, C. Malla; Saha, Subhankar","Crystal property engineering using molecular-supramolecular equivalence: mechanical property alteration in hydrogen bonded systems.","Chemical science","2024","15","10","3578","3587","10.1039/d3sc06462j","","","1.54184","CuKα","","0.0445","0.0416","","","0.1199","0.1231","","","","","","1.073","","","","has coordinates,has disorder","290774","2024-04-04","00:54:36",""
"1571406","6.3065","0.0003","13.7236","0.0004","34.6883","0.0012","90","","90","","90","","3002.2","0.2","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Br2 N3 O6 -","- C34 H28 Br2 N2 O6 -","- C136 H112 Br8 N8 O24 -","4","1","","Wang, Zhuoer; Cao, Zhaozhen; Hao, Aiyou; Xing, Pengyao","Pnictogen Bonding in Imide Derivatives for Chiral Folding and Self-Assembly","Chemical Science","2024","","","","","10.1039/D4SC00554F","","x-ray","1.54184","CuKα","","0.1362","0.1254","","","0.3595","0.3757","","","","","","1.546","","","","has coordinates","291100","2024-04-05","22:17:15",""
"1571411","9.2907","0.0003","14.7314","0.0004","21.2629","0.0006","90","","90","","90","","2910.15","0.15","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 O3 P -","- C34 H39 O3 P -","- C136 H156 O12 P4 -","4","1","","Volla, Chandra; Patra, Jatin; Nair, Akshay Murali","Expedient Radical Phosphonylations via Ligand to Metal Charge Transfer on Bismuth","Chemical Science","2024","","","","","10.1039/D4SC00692E","","x-ray","0.71073","MoKα","","0.0565","0.0467","","","0.1063","0.1149","","","","","","1.044","","","","has coordinates","291146","2024-04-09","22:10:51",""
"1571412","8.7082","0.0005","11.7522","0.0005","20.0325","0.0012","90","","90","","90","","2050.14","0.19","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 O5 P -","- C24 H21 O5 P -","- C96 H84 O20 P4 -","4","1","","Volla, Chandra; Patra, Jatin; Nair, Akshay Murali","Expedient Radical Phosphonylations via Ligand to Metal Charge Transfer on Bismuth","Chemical Science","2024","","","","","10.1039/D4SC00692E","","x-ray","0.71073","MoKα","","0.0616","0.0525","","","0.1323","0.1491","","","","","","0.881","","","","has coordinates","291146","2024-04-09","22:10:52",""
"1571454","12.2797","0.0002","12.7824","0.0002","24.6681","0.0003","90","","90","","90","","3872","0.1","99.99","0.13","99.99","0.13","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Cl2 N4 O2 U -","- C48 H32 Cl2 N4 O2 U -","- C192 H128 Cl8 N16 O8 U4 -","4","1","","Rutkauskaite, Ryte; Zhang, Xiaobin; Woodward, Adam W.; Liu, Yanlin; Herrera, Gabriel; Purkis, Jamie; Woodall, Sean D.; Sarsfield, Mark; Schreckenbach, Georg; Natrajan, Louise S.; Arnold, Polly L.","The effect of ancillary ligands on hydrocarbon C–H bond functionalization by uranyl photocatalysts","Chemical Science","2024","","","","","10.1039/D4SC01310G","","x-ray","0.71073","MoKα","","0.0316","0.0246","","","0.043","0.0443","","","","","","1.021","","","","has coordinates","291238","2024-04-16","22:24:58",""
"1571472","12.28419","0.00014","13.47791","0.00017","13.8303","0.00017","90","","90","","90","","2289.82","0.05","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N O4 -","- C28 H21 N O4 -","- C112 H84 N4 O16 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core","Chemical Science","2024","","","","","10.1039/D4SC00745J","","x-ray","1.54184","CuKα","","0.04","0.0371","","","0.0992","0.1032","","","","","","1.025","","","","has coordinates","291318","2024-04-22","22:19:58",""
"1571477","9.1876","0.0001","11.1452","0.0001","20.9565","0.0002","90","","90","","90","","2145.9","0.04","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 N2 O3 -","- C27 H20 N2 O3 -","- C108 H80 N8 O12 -","4","1","","Gaucherand, Arthur; Yen-Pon, Expédite; García-López, Diego; Naubron, Jean-Valère; Chentouf, Sara; Giorgi, Michel; Humbel, Stéphane; Jean, Marion; Rodriguez, Jean; Bonne, Damien","Padlocking dihydrofurannulation for the control of small degree of helicity built on a fused-tetracyclic core","Chemical Science","2024","","","","","10.1039/D4SC00745J","","x-ray","1.54184","CuKα","","0.0419","0.0404","","","0.1123","0.1142","","","","","","1.069","","","","has coordinates","291318","2024-04-22","22:20:00",""
"1571481","6.3985","0.0003","11.144","0.0006","24.0417","0.001","90","","90","","90","","1714.29","0.14","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 N2 O3 -","- C22 H16 N2 O3 -","- C88 H64 N8 O12 -","4","1","","Conboy, Aífe; Goodfellow, Alister S.; Kasten, Kevin; Dunne, Joanne; Cordes, David Bradford; Buehl, Michael; Smith, Andrew D.","De-epimerizing DyKAT of β-Lactones Generated by Isothiourea-Catalysed Enantioselective [2+2] Cycloaddition","Chemical Science","2024","","","","","10.1039/D4SC01410C","","x-ray","1.54184","CuKα","","0.0748","0.0539","","","0.1349","0.1545","","","","","","1.05","","","","has coordinates","291347","2024-04-24","22:28:42",""
"1571482","8.043","0.002","10.783","0.003","28.473","0.008","90","","90","","90","","2469.4","1.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl4 N3 O4 -","- C23 H23 Cl4 N3 O4 -","- C92 H92 Cl16 N12 O16 -","4","1","","Conboy, Aífe; Goodfellow, Alister S.; Kasten, Kevin; Dunne, Joanne; Cordes, David Bradford; Buehl, Michael; Smith, Andrew D.","De-epimerizing DyKAT of β-Lactones Generated by Isothiourea-Catalysed Enantioselective [2+2] Cycloaddition","Chemical Science","2024","","","","","10.1039/D4SC01410C","","x-ray","0.71073","MoKα","","0.0533","0.0462","","","0.1321","0.139","","","","","","1.031","","","","has coordinates","291347","2024-04-24","22:28:43",""
"1571483","11.2574","0.0002","12.8335","0.0003","19.7938","0.0004","90","","90","","90","","2859.65","0.1","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 B S2 Si2 -","- C29 H35 B S2 Si2 -","- C116 H140 B4 S8 Si8 -","4","1","","Adachi, Yohei; Kurihara, Maho; Yamada, Kohei; Arai, Fuka; Hattori, Yuto; Yamana, Keita; Kawasaki, Riku; Ohshita, Joji","Insights into mechanistic interpretation of crystalline-state reddish phosphorescence of non-planar π-conjugated organoboron compounds","Chemical Science","2024","","","","","10.1039/D4SC01184H","","x-ray","0.71073","MoKα","","0.034","0.0294","","","0.0646","0.066","","","","","","1.055","","","","has coordinates","291365","2024-04-26","22:08:42",""
"1571490","7.7777","0.0003","8.0764","0.0003","25.7905","0.0009","90","","90","","90","","1620.05","0.1","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","1","","Ding, Bo; Xue, Qilin; Wei, Han; Chen, Jiangwei; Liu, Ze-Shui; Cheng, Hong-Gang; Cong, Hengjiang; Tang, Jianting; Zhou, Qianghui","Enantioconvergent Synthesis of Chiral Fluorenols from Racemic Secondary Alcohols via Pd(II)/Chiral Norbornene Cooperative Catalysis","Chemical Science","2024","","","","","10.1039/D4SC01004C","","","1.54178","CuKα","","0.0352","0.035","","","0.0874","0.0881","","","","","","1.051","","","","has coordinates","291367","2024-04-26","22:09:29",""
"1571522","20.2077","0.0006","29.3716","0.0009","36.4328","0.0012","90","","90","","90","","21624.1","1.2","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C204 H146 Cu22.06 F24 P8 Se16 -","- C204 H146 Cu22 F24 P8 Se16 -","- C816 H584 Cu88 F96 P32 Se64 -","4","1","","Zhou, Huimin; Yang, Tao; Deng, Huijuan; Yun, Yapei; Jin, Shan; Xiong, Lin; Zhu, Manzhou","An insight, at the atomic level, into the structure and catalytic properties of the isomer Cu22 cluster","Nanoscale","2024","","","","","10.1039/D4NR00973H","","","1.54186","CuKα","","0.0757","0.0677","","","0.1697","0.1737","","","","","","1.067","","","","has coordinates,has disorder","291449","2024-05-02","00:07:14",""
"2000002","7.295","0.003","14.926","0.008","15.16","0.006","90","","90","","90","","1650.7","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(-)-(6'R)-3',6'-Epoxyaurapten","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Leblanc, M.; Ferey, G.; Rouessac, F.; Aziz, M.","Structure of (-)-(6'R)-3',6'-epoxyaurapten","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","7","1262","1264","10.1107/S0108270188003403","","","","","","","0.035","","","0.035","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000003","6.263","0.002","7.965","0.002","26.51","0.01","90","","90","","90","","1322.45","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O S -","- C15 H18 O S -","- C60 H72 O4 S4 -","4","1","","Maignan, C.; Leblanc, M.","Room-temperature structure of α‒β ethylenic sulfoxide C~15~H~18~OS: (-)-4,5-dimethyl-1-p-tolylsulfinyl-1,4-cyclohexadiene","Acta Crystallographica, Section C: Crystal Structure Communications","1990","46","5","915","917","10.1107/s0108270189013132","","","","","","","0.048","","","0.048","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000005","7.15","0.002","10.284","0.002","27.726","0.002","90","","90","","90","","2038.71","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O5 S -","- C19 H32 O5 S -","- C76 H128 O20 S4 -","4","1","","Yonezawa, S.; Leblanc, M.; Guesdon, A.; Alexandre, C.","1-(5-Methanesulfinyl-2,2,6-trimethyl-3a,3b,4,5,6,8a-hexahydro-1,3,8-trioxacyclopenta[a]inden-5-yl)hexan-1-ol","Acta Crystallographica, Section C: Crystal Structure Communications","1998","54","12","1986","1987","10.1107/s0108270198008804","","","","","","","0.0392","","","0.0392","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000011","7.0123","0.0005","7.5297","0.0009","29.094","0.002","90","","90","","90","","1536.18","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C68 H72 O12 S4 -","4","1","","Retoux, R.; Guillot, C.; Maignan, C.","Structure determination of (1S;S~s~)-3-methoxy-1-phenyl-2-(p-tolylsulfinyl)-2-propen-1-ol (C~17~H~18~O~3~S)","Acta Crystallographica, Section C: Crystal Structure Communications","1993","49","3","629","630","10.1107/s0108270192011235","","","","","","","0.028","","","0.028","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000012","7.968","0.0014","8.1104","0.0011","23.761","0.003","90","","90","","90","","1535.52","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C64 H80 O12 S4 -","4","1","","Retoux, R.; Hayes, P.; Maignan, C.","(5S,SS)-7-Methyl-8-p-toluenesulfinyl-1,6-dioxaspiro[4.5]dec-7-ene","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","93","94","10.1107/s0108270194007298","","","","","","","0.0514","","","0.0514","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000013","8.5143","0.0007","11.8171","0.0006","14.752","0.0009","90","","90","","90","","1484.26","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","Gosselin, P.; Bonfand, E.; Maignan, C.; Retoux, R.","The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,SR)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","94","","10.1107/s0108270194007304","","","","","","","0.0419","","","0.0419","","","","","","","","","","","has coordinates","199648","2020-10-21","18:00:00",""
"2000047","12.009","0.003","19.943","0.006","20.823","0.008","90","","90","","90","","4987.02","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 Ir4 O12 P2 -","- C41 H32 Ir4 O12 P2 -","- C164 H128 Ir16 O48 P8 -","4","1","","Tranqui, D.; Durif, A.; Eddine, M. N.; Lieto, J.; Rafalko, J. J.; Gates, B. C.","Structure of a tetrairidium cluster with a bridging diop ligand: 2,3-μ-[(+)-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane]- (P,P')-2,3;3,4;4,2-tri-m-carbonyl-1,1,1,2,3,4,4-heptacarbonyl- tetrahedro-tetrairidium","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1982","38","","1916","1920","10.1107/S0567740882007596","","","","","","","0.045","","","0.045","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000059","8.923","0.005","14.383","0.009","8.362","0.005","90","","90","","90","","1073.18","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 N3 O7 P -","- C6 H14 N3 O7 P -","- C24 H56 N12 O28 P4 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structure of L-histidinium dihydrogenmonophosphate monohydrate","Acta Crystallographica Section, C: Crystal Structure Communications","1988","44","5","890","892","10.1107/S0108270188000927","","","","","","","0.036","","","0.036","","","","","","","","","","","has coordinates","189477","2020-10-21","18:00:00",""
"2000081","13.18","0.008","9.275","0.003","6.245","0.002","90","","90","","90","","763.417","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 N O6 P -","- C3 H10 N O6 P -","- C12 H40 N4 O24 P4 -","4","1","","Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C.","Structures of β-alanine, DL-alanine and sarcosine monophosphates","Acta Crystallographica, Section C: Crystal Structure Communications","1988","44","11","1968","1972","10.1107/s0108270188000502","","","","","","","0.023","","","0.023","","","","","","","","","","","has coordinates","199750","2020-10-21","18:00:00",""
"2000096","7.166","0.002","9.205","0.003","28.231","0.009","90","","90","","90","","1862.2","","","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 Co2 F4 N O4 P2 -","- C13 H9 Co2 F4 N O4 P2 -","- C52 H36 Co8 F16 N4 O16 P8 -","4","1","","Gimbert, Yves; Robert, Frédéric; Durif, André; Averbuch, Marie-Thérèse; Kann, Nina; Greene, Andrew E.","Synthesis and Characterization of New Binuclear Co(0) Complexes with Diphosphinoamine Ligands. A Potential Approach for Asymmetric Pauson-Khand Reactions","The Journal of Organic Chemistry","1999","64","10","3492","3497","10.1021/jo982245o","","","","","","","0.04","","","0.04","","","","","","","","","","","has coordinates","219250","2020-10-21","18:00:00",""
"2000135","9.777","0.002","10.64","0.002","15.384","0.003","90","","90","","90","","1600.36","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","catena-(dabconium tris(phosphato)-zinc)","","","- C6 H19 N2 O12 P3 Zn -","- C6 H19 N2 O12 P3 Zn -","- C24 H76 N8 O48 P12 Zn4 -","4","1","","Patarin, J.; Marler, B.; Huve, L.","Synthesis and structure of Zn(H2PO4)(2)(HPO4).H2N2C6H12","European Journal of Solid State and Inorganic Chemistry","1994","31","10","909","920","","","","","","","","0.06","","","0.06","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000147","11.219","0.008","12.136","0.007","12.324","0.007","90","","90","","90","","1678","1.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C14 H19 N3 O7 -","- C14 H19 N3 O7 -","- C56 H76 N12 O28 -","4","1","HA0047","Van Meervelt, L.","Structure of 3',5'-di-<i>O</i>-acetyl-<i>N</i>^4^-methoxycytosine","Acta Crystallographica Section C","1991","47","12","2635","2637","10.1107/S0108270191007187","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000156","6.633","0.001","13.435","0.002","19.246","0.002","90","","90","","90","","1715.1","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","(2R,11aS)-2,8-Diacetoxy-7-methoxy-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione","","- C17 H18 N2 O7 -","- C17 H18 N2 O7 -","- C68 H72 N8 O28 -","4","1","LI0076","Neidle, S.; Webster, G. D.; Jones, G. B.; Thurston, D. E.","Structures of two DNA minor-groove binders, based on pyrrolo[2,1-<i>c</i>][1,4]benzodiazepines","Acta Crystallographica Section C","1991","47","12","2678","2680","10.1107/S0108270191005966","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","205891","2020-10-21","18:00:00",""
"2000162","7.0329","0.0007","9.983","0.002","22.644","0.006","90","","90","","90","","1589.8","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C14 H20 Cl2 O3 -","- C14 H20 Cl2 O3 -","- C56 H80 Cl8 O12 -","4","1","LI0087","Zukerman-Schpector, J.; Castellano, E. E.; Brocksom, T. J.; Moreira, L. A.","Structure and absolute configuration of (3<i>S</i>)-[(1<i>S</i>,2<i>R</i>,4<i>S</i>)-2-acetoxy-4-methyl-1-cyclohexyl]-2,2-dichloro-3-methylcyclobutanone","Acta Crystallographica Section C","1991","47","12","2706","2708","10.1107/S0108270191007941","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000165","7.6025","0.001","13.948","0.002","14.428","0.003","90","","90","","90","","1529.9","0.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","ST0498","Huang, E. T.; Evans, K. L.; Fronczek, F. R.; Gandour, R. D.","Methyl 2-[(2,6-dimethoxyphenyl)ethynyl]benzoate","Acta Crystallographica Section C","1991","47","12","2727","2729","10.1107/S0108270191004171","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000169","5.959","0.001","14.956","0.001","19.737","0.003","90","","90","","90","","1759","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","trans-3-Benzoyl-2-(tert-butyl)-4-(iso-butyl)-1,3-oxazolidin-5-one","","- C18 H25 N O3 -","- C18 H25 N O3 -","- C72 H100 N4 O12 -","4","1","HL0007","Willis, Anthony C.; Beckwith, Athelstan L. J.; Tozer, Matthew J.","<i>trans</i>-3-Benzoyl-2-<i>tert</i>-butyl-4-isobutyl-1,3-oxazolidin-5-one","Acta Crystallographica Section C","1991","47","11","2276","2277","10.1107/S0108270191009630","","","1.5418","CuKα","","0.038","0.034","","0.044","0.042","","","","1.462","1.515","1.515","","","","","has coordinates","199444","2020-10-21","18:00:00",""
"2000214","6.926","0.001","9.084","0.002","18.602","0.003","90","","90","","90","","1170.4","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 N3 O6 P -","- C8 H14 N3 O6 P -","- C32 H56 N12 O24 P4 -","4","1","AB0159","Symerský, J.; Holý, A.","Structure of 1-(<i>S</i>)-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine; an antiviral agent","Acta Crystallographica Section C","1991","47","10","2104","2107","10.1107/S0108270190013257","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000230","9.107","0.001","9.632","0.002","21.53","0.002","90","","90","","90","","1888.6","0.5","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C6 H18 Cr P3 S6 -","- C6 H18 Cr P3 S6 -","- C24 H72 Cr4 P12 S24 -","4","1","CR0330","Skrzypczak-Jankun, E.; Pinkerton, A. A.","Tris(dimethyldithiophosphinato)chromium(III) ‒ orthorhombic form","Acta Crystallographica Section C","1991","47","10","2211","2212","10.1107/S0108270191005073","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000236","11.737","0.002","21.244","0.004","22.932","0.003","90","","90","","90","","5717.9","1.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C13 H24 O3 S -","- C13 H24 O3 S -","- C208 H384 O48 S16 -","16","4","HA0034","Declercq, J.-P.; Feneau-Dupont, J.; Huart, C.; Nemery, I.","Structures of (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,7,7-trimethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol (I) and (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,3,7,7-tetramethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol(II)","Acta Crystallographica Section C","1991","47","10","2234","2236","10.1107/S0108270191002226","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000237","8.651","0.002","11.92","0.004","14.256","0.003","90","","90","","90","","1470.1","0.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C14 H26 O3 S -","- C14 H26 O3 S -","- C56 H104 O12 S4 -","4","1","HA0034","Declercq, J.-P.; Feneau-Dupont, J.; Huart, C.; Nemery, I.","Structures of (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,7,7-trimethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol (I) and (2<i>S</i>,3<i>R</i>)-<i>exo</i>-1,3,7,7-tetramethyl-3-propylsulfonylbicyclo[2.2.1]heptan-2-ol(II)","Acta Crystallographica Section C","1991","47","10","2234","2236","10.1107/S0108270191002226","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","199646","2020-10-21","18:00:00",""
"2000247","3.85","0.001","23.73","0.03","13.667","0.009","90","","90","","90","","1248.6","1.8","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O5 -","- C16 H12 O5 -","- C64 H48 O20 -","4","1","AB0156","Ulický, L.; Kožíšek, J.; Ječný, J.","Structure of an anthracene derivative","Acta Crystallographica Section C","1991","47","9","1879","1881","10.1107/S0108270191001166","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000278","13.278","0.005","24.462","0.008","10.823","0.003","90","","90","","90","","3515","2","","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H33 Br2 N O Os P2 -","- C39 H33 Br2 N O Os P2 -","- C156 H132 Br8 N4 O4 Os4 P8 -","4","1","CR0287","Robinson, P. D.; Ali, I. A.; Hinckley, C. C.","Structures of <i>c</i>-acetonitrile-<i>ab</i>-dibromo-<i>d</i>-carbonyl-<i>ef</i>-bis(triphenylphosphine)osmium(2+) and <i>b</i>-acetonitrile-<i>af</i>-dibromo-<i>d</i>-carbonyl-<i>ce</i>-bis(triphenylphosphine)osmium(2+)","Acta Crystallographica Section C","1991","47","7","1397","1401","10.1107/S0108270191000173","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000287","5.005","0.005","17.69","0.009","18.7","0.01","90","","90","","90","","1656","2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 N2 O5 -","- C17 H22 N2 O5 -","- C68 H88 N8 O20 -","4","1","CR0283","Krause, J. A.; Eggleston, D. S.","Proline conformations in linear peptides. Structure determination of the methyl ester of <i>N</i>-benzyloxycarbonyl-<small>L</small>-prolyl-<small>D</small>-alanine (<i>N</i>-Z-<small>L</small>-Pro-<small>D</small>-Ala-OMe)","Acta Crystallographica Section C","1991","47","7","1508","1512","10.1107/S0108270191000161","","","1.54056","cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000296","8.813","0.002","9.043","0.002","25.643","0.005","90","","90","","90","","2043.6","0.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O2 -","- C23 H31 N O2 -","- C92 H124 N4 O8 -","4","1","ST0488","Lynch, V. M.; Yaser, H. K.; Whitesell, J. K.; Davis, B. E.","The structure at 198 K of (1<i>R</i>,5<i>R</i>,15<i>R</i>,16<i>R</i>)-5-isopropenyl-2-methyl-1-[<i>N</i>-(<i>trans</i>-2-phenylcyclohexyloxycarbonyl)amino]-2-cyclohexene","Acta Crystallographica Section C","1991","47","7","1566","1568","10.1107/S0108270191000306","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000297","13.155","0.002","13.397","0.002","12.369","0.002","90","","90","","90","","2179.9","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 Cl O4 -","- C23 H31 Cl O4 -","- C92 H124 Cl4 O16 -","4","1","CR0285","Wawrzak, Z.; Grochulski, P.; Galdecki, Z.; Griffin, J. F.; Strong, P. D.; Duax, W. L.","Structure of 6α-chloro-3,20-dioxo-4-pregnen-17α-yl acetate","Acta Crystallographica Section C","1991","47","7","1568","1570","10.1107/S0108270191000331","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000305","10.071","0.007","19.218","0.015","19.406","0.014","90","","90","","90","","3756","5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R)-2-Ethyl-2-methyl-4-phenyl-N-[(S)-1-phenylethyl]-(E)-3-butenamide","","- C21 H25 N O -","- C21 H25 N O -","- C168 H200 N8 O8 -","8","2","LI0051","Alcock, N. W.; Richards, C. J.; Thomas, S. E.","Structure of a chiral amide derived from a (vinylketenimine)tricarbonyliron(0) complex","Acta Crystallographica Section C","1991","47","6","1261","1263","10.1107/S0108270190011143","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000309","9.7046","0.0009","13.742","0.003","16.285","0.001","90","","90","","90","","2171.8","0.5","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H35 Br2 N3 Ni O4 -","- C15 H35 Br2 N3 Ni O4 -","- C60 H140 Br8 N12 Ni4 O16 -","4","1","MU0222","Farrugia, L. J.; Peacock, R. D.","Structure of 1,4,7-tris[(2<i>S</i>)-2-hydroxypropyl]-1,4,7-triazacyclononanenickel(II) dibromide monohydrate","Acta Crystallographica Section C","1991","47","6","1312","1313","10.1107/S0108270190014007","","","0.71069","mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000313","9.359","0.002","10.117","0.001","24.71","0.004","90","","90","","90","","2339.7","0.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O4 -","- C25 H35 N O4 -","- C100 H140 N4 O16 -","4","1","ST0490","Lynch, V. M.; Austin, R. E.; Martin, S. F.; George, T.","Determination of the absolute configuration of a novel dipeptide isostere","Acta Crystallographica Section C","1991","47","6","1345","1347","10.1107/S0108270190013208","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000323","8.476","0.005","13.747","0.002","15.951","0.003","90","","90","","90","","1858.6","1.2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Au Cl P -","- C18 H27 Au Cl P -","- C72 H108 Au4 Cl4 P4 -","4","1","ST0467","Muir, J. A.; Cuadrado, S. I.; Muir, M. M.","Structure of chloro(dicyclohexylphenylphosphine)gold(I)","Acta Crystallographica Section C","1991","47","5","1072","1074","10.1107/S0108270190011994","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000325","11.688","0.003","15.377","0.005","9.466","0.002","90","","90","","90","","1701.3","0.8","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","CR0274","Duax, W. L.; Duax, S. J.; Strong, P. D.","Structure of 3-hydroxy-17-oxoestra-1,3,5(10)-trien-11β-yl acetate","Acta Crystallographica Section C","1991","47","5","1094","1096","10.1107/S0108270190011775","","","0.71073","mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000336","10.667","0.003","10.7972","0.0014","16.509","0.005","90","","90","","90","","1901.4","0.8","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O8 -","- C20 H26 O8 -","- C80 H104 O32 -","4","1","ST0471","Lynch, V. M.; Zinke, P. W.; Martin, S. F.; Davis, B. E.","Structure of a key intermediate in the asymmetric synthesis of (+)-KDO","Acta Crystallographica Section C","1991","47","4","910","912","10.1107/S0108270190011039","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000358","8.3737","0.0008","10.6469","0.0008","22.429","0.002","90","","90","","90","","1999.6","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C22 H32 O5 -","- C22 H32 O5 -","- C88 H128 O20 -","4","1","GE0309","Puliti, R.; Gavagnin, M.; Cimino, G.; Mattia, C. A.; Mazzarella, L.","Structure of chelonaplysin C: a spongian diterpenoid from nudibranch <i>Chromodoris luteorosea</i>","Acta Crystallographica Section C","1992","48","12","2145","2147","10.1107/S0108270192003196","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000368","9.1","0.003","9.678","0.004","17.36","0.002","90","","90","","90","","1528.9","0.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","GR0201","Eggleston, D. S.; Baures, P. W.; Grabowska, U.; Marson, C. M.; Walsgrove, T.","Structures of three tricyclic γ-lactams","Acta Crystallographica Section C","1992","48","12","2177","2181","10.1107/S0108270192003111","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000376","11.945","0.002","22.24","0.006","24.407","0.005","90","","90","","90","","6484","2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 N O6 S -","- C33 H43 N O6 S -","- C264 H344 N8 O48 S8 -","8","2","HU1000","Andrews, J. F. P.; Regan, A. C.; Wallis, J. D.; Povey, D. C.","A substrate for the asymmetric Nazarov cyclization","Acta Crystallographica Section C","1992","48","12","2196","2199","10.1107/S010827019200492X","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000388","8.896","0.003","11.006","0.003","17.31","0.006","90","","90","","90","","1694.8","0.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O Si -","- C19 H22 O Si -","- C76 H88 O4 Si4 -","4","1","GR0200","Barnes, C. L.; Soderquist, J. A.","<i>cis</i>-1,1-Dimethyl-2,6-diphenyl-1-silacyclohexan-4-one","Acta Crystallographica Section C","1992","48","12","2222","2224","10.1107/S0108270192002828","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000391","7.189","0.001","10.141","0.002","11.302","0.002","90","","90","","90","","824","0.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","LI1001","Leban, I.; Polanc, S.","Structure of 2-phenylpyrimidinium 1-oxide","Acta Crystallographica Section C","1992","48","12","2227","2229","10.1107/S0108270192003391","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000396","7.23","0.002","7.702","0.001","42.42","0.005","90","","90","","90","","2362.2","0.8","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,4'-(tetrahydro-1-hydroxy-1H,3H-furo[3,4-c]furan-1,4-diyl)bis(2-methoxyphenyl) diacetate monohydrate","","- C24 H28 O10 -","- C24 H28 O10 -","- C96 H112 O40 -","4","1","HH0597","Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H.","Structures of three tetrahydrofurofurane-type lignanes","Acta Crystallographica Section C","1992","48","12","2240","2244","10.1107/S0108270192003901","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","206309","2020-10-21","18:00:00",""
"2000397","5.5333","0.0005","12.552","0.0007","31.723","0.002","90","","90","","90","","2203.3","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-1H,3H-furo[3,4-c]furan","","- C24 H30 O8 -","- C24 H30 O8 -","- C96 H120 O32 -","4","1","HH0597","Macías, F. A.; Zubía, E.; Quijano, L.; Fronczek, F. R.; Fischer, N. H.","Structures of three tetrahydrofurofurane-type lignanes","Acta Crystallographica Section C","1992","48","12","2240","2244","10.1107/S0108270192003901","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","206309","2020-10-21","18:00:00",""
"2000402","7.569","0.001","9.308","0.001","18.502","0.002","90","","90","","90","","1303.5","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","HA0102","Tinant, B.; Declercq, J.-P.; Weiler, J.; Soumillon, J. P.; Motte, F.; Vanhulle, S.","(<i>Z</i>)-α,β-Dimethoxystilbene","Acta Crystallographica Section C","1992","48","12","2250","2251","10.1107/S0108270192003950","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000403","9.795","0.002","16.452","0.002","18.835","0.002","90","","90","","90","","3035.2","0.8","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O5 -","- C32 H50 O5 -","- C128 H200 O20 -","4","1","AB1003","Sekar, K.; Parthasarathy, S.; Kundu, A. B.; Barik, B. R.","Structure of dimethyl ceanothate","Acta Crystallographica Section C","1992","48","12","2251","2253","10.1107/S0108270192004189","","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000415","7.315","0.001","7.941","0.002","21.393","0.004","90","","90","","90","","1242.7","0.4","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine hydrochloride","","- C12 H17 Cl N2 O2 -","- C12 H17 Cl N2 O2 -","- C48 H68 Cl4 N8 O8 -","4","1","AB1011","Verdonk, M. L.; Kanters, J. A.; Kroon, J.","Structure of eltoprazine","Acta Crystallographica Section C","1992","48","12","2271","2273","10.1107/S0108270192008904","","","0.71073","MoKα","","","0.069","","","0.063","","","","","1.41","1.41","","","","","has coordinates","209447","2020-10-21","18:00:00",""
"2000433","10.231","0.007","11.171","0.007","14.759","0.005","90","","90","","90","","1686.8","1.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C19 H28 N2 O2 -","- C19 H27 N2 O2 -","- C76 H108 N8 O8 -","4","1","HE0046","Maes, D.; Fiddelaers, P.; Wyns, L.; Lisgarten, J.; Lisgarten, D.; Palmer, R.","Structure of (17α)-androstano[3,4-<i>c</i>][1,2,5]oxadiazole-17-ol (HS963)","Acta Crystallographica Section C","1992","48","11","1954","1957","10.1107/S010827019200252X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000437","14.23","0.001","24.37","0.005","18.78","0.002","90","","90","","90","","6512.6","1.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C54 H95 N9 O17 -","- C54 N9 O18 -","- C216 N36 O72 -","4","1","CR0373","Han, F.; Mortishire-Smith, R. J.; Rainey, P. B.; Williams, D. H.","Structure of the white-line-inducing principle isolated from <i>Pseudomonas reactans</i>","Acta Crystallographica Section C","1992","48","11","1965","1968","10.1107/S0108270192001690","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000441","8.059","0.002","11.537","0.003","22.311","0.006","90","","90","","90","","2074.4","0.9","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C20 H29 Cl N2 O4 -","- C20 H22 Cl N2 O4 -","- C80 H88 Cl4 N8 O16 -","4","1","CR0388","Karle, J. M.; Karle, I. L.","Structure of 9-epiquinine hydrochloride dihydrate <i>versus</i> antimalarial activity","Acta Crystallographica Section C","1992","48","11","1975","1980","10.1107/S0108270192002373","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000469","7.296","0.001","13.099","0.002","15.754","0.002","90","","90","","90","","1505.6","0.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","1","CR0410","Shoja, M.","4',6,7-Trimethoxyisoflavone","Acta Crystallographica Section C","1992","48","11","2033","2035","10.1107/S010827019200249X","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000470","9.777","0.001","10.211","0.001","22.585","0.002","90","","90","","90","","2254.7","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C104 H116 N4 O8 -","4","1","SE1000","Dyrbusch, M.; Egert, E.","Structure of a cinnamic acid derivative","Acta Crystallographica Section C","1992","48","11","2035","2036","10.1107/S0108270192002221","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000474","9.019","0.001","14.522","0.001","6.059","0.001","90","","90","","90","","793.57","0.17","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 O3 S2 -","- C5 H10 O3 S2 -","- C20 H40 O12 S8 -","4","1","LI0123","Barkley, J.; Dodd, I. M.; Harding, M. M.; Namwindwa, E. S.; Page, P. C. B.","<i>anti</i>-2-Methyl-1,3-dithiane 1,1,3-trioxide","Acta Crystallographica Section C","1992","48","11","2039","2040","10.1107/S0108270192002749","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000476","4.722","0.002","12.284","0.005","17.638","0.011","90","","90","","90","","1023.1","0.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","ST0559","Orr, Jnr, L. B.; Parsons, E. J.; Pennington, W. T.","2-{[(<i>o</i>-Hydroxyphenyl)imino]methyl}pyridine","Acta Crystallographica Section C","1992","48","11","2042","2043","10.1107/S0108270192001483","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000480","10.667","0.002","16.552","0.005","8.116","0.001","90","","90","","90","","1433","0.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C15 H24 N2 O2 -","- C15 H24 N2 O2 -","- C60 H96 N8 O8 -","4","1","CR0413","Khan, M. A.; Burrows, G. E.; Holt, E. M.","(5α,6α,7α,11β)-Δ^13,14^-Sophocarpine monohydrate","Acta Crystallographica Section C","1992","48","11","2051","2053","10.1107/S0108270192003500","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","190826","2020-10-21","18:00:00",""
"2000482","10.485","0.005","16.892","0.008","19.75","0.006","90","","90","","90","","3498","3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O -","- C20 H26 N2 O -","- C160 H208 N16 O8 -","8","2","AL0529","Soriano-García, M.","Structure of ibogaine","Acta Crystallographica Section C","1992","48","11","2055","2057","10.1107/S0108270192002786","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000491","9.551","0.002","10.486","0.003","12.543","0.002","90","","90","","90","","1256.2","0.5","0","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C7 H17 Cl2 N O Pt S -","- C7 H17 Cl2 N O Pt S -","- C28 H68 Cl8 N4 O4 Pt4 S4 -","4","1","AB1016","Lövqvist, K.; Oskarsson, Å.","Structure of <i>trans</i>-dichloro(dimethylsulfoxide)(piperidine)platinum(II)","Acta Crystallographica Section C","1992","48","11","2073","2075","10.1107/S0108270192007212","","","0.71069","MoKα","","","0.048","","","0.061","","","","","1.04","1.04","","","","","has coordinates","206336","2020-10-21","18:00:00",""
"2000509","10.704","0.001","19.562","0.003","19.823","0.003","90","","90","","90","","4150.8","1","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H39 Nb O4 -","- C54 H39 Nb O4 -","- C216 H156 Nb4 O16 -","4","1","HU0405","Yu, J. S.; Fanwick, P. E.; Rothwell, I. P.","Structure of a tetrahedral niobium oxo compound [Nb(OC~6~H~3~Ph~2~-2,6)~3~(O)]","Acta Crystallographica Section C","1992","48","10","1759","1761","10.1107/S0108270192001744","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000519","19.113","0.003","15.079","0.002","5.782","0.001","90","","90","","90","","1666.4","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C13 H18 Cu N4 O7 -","- C13 H17 Cu N4 O7 -","- C52 H68 Cu4 N16 O28 -","4","1","MU0253","Solans, X.; Ruíz-Ramírez, L.; Martínez, A.; Gasque, L.; Moreno-Esparza, R.","Mixed chelate complexes. III. Structures of (<small>L</small>-alaninato)(aqua)(2,2'-bipyridine)copper(II) nitrate monohydrate and aqua(2,2'-bipyridine)(<small>L</small>-tyrosinato)copper(II) chloride trihydrate","Acta Crystallographica Section C","1992","48","10","1785","1788","10.1107/S0108270192000568","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","191052","2020-10-21","18:00:00",""
"2000523","9.7768","0.0004","10.6279","0.0003","15.3157","0.0004","90","","90","","90","","1591.41","0.09","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Cl N2 O -","- C15 H19 Cl N2 O -","- C60 H76 Cl4 N8 O4 -","4","1","KA0013","Csöregh, I.","Structures and absolute configurations of enantiomers of two local anaesthetics: (2<i>S</i>)-1-methyl- and (2<i>R</i>)-1-butyl-2',6'-pipecoloxylidide hydrochlorides","Acta Crystallographica Section C","1992","48","10","1794","1798","10.1107/S0108270192001604","","","1.54183","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000526","6.161","0.002","8.045","0.003","20.811","0.006","90","","90","","90","","1031.5","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C44 H56 N8 O4 -","4","1","AL0526","Regan, A. C.; Wallis, J. D.; Povey, D. C.","A urea with non-planar nitrogen-bonding geometry","Acta Crystallographica Section C","1992","48","10","1801","1804","10.1107/S0108270192001641","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000527","9.821","0.001","10.222","0.003","13.871","0.001","90","","90","","90","","1392.5","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 Cl N O3 -","- C12 H22 Cl N O3 -","- C48 H88 Cl4 N4 O12 -","4","1","PA0272","Dupont, L.; Dideberg, O.; Pardon, M. C.; Piette, J. L.","Structure du chlorhydrate de (1<i>R</i>,2<i>S</i>)(3-hydroxy-3-<i>m</i>-hydroxyphényl-2-propyl)triméthylammonium monohydrate","Acta Crystallographica Section C","1992","48","10","1804","1806","10.1107/S0108270192001562","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000533","14.348","0.004","13.086","0.004","11.851","0.002","90","","90","","90","","2225.1","1","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","NA0013","Argay, G.; Kálmán, A.; Ribár, B.; Živanov-Stakic, D.; Vladimirov, S.","Structures of two bufadienolides: telocinobufagin (3β,5β-dihydroxy-5β,14β-bufa-20,22-dienolide) monohydrate and 14α-artebufogenin (3β-hydroxy-15-oxo-5β,14α-bufa-20,22-dienolide)","Acta Crystallographica Section C","1992","48","10","1823","1827","10.1107/S0108270192001859","","","0.71073","X-rayMoKalphamean","","0.079","0.042","","","0.044","","","","","0.82","0.82","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000534","7.92","0.001","11.507","0.001","22.519","0.002","90","","90","","90","","2052.3","0.4","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O4 -","- C24 H32 O4 -","- C96 H128 O16 -","4","1","NA0013","Argay, G.; Kálmán, A.; Ribár, B.; Živanov-Stakic, D.; Vladimirov, S.","Structures of two bufadienolides: telocinobufagin (3β,5β-dihydroxy-5β,14β-bufa-20,22-dienolide) monohydrate and 14α-artebufogenin (3β-hydroxy-15-oxo-5β,14α-bufa-20,22-dienolide)","Acta Crystallographica Section C","1992","48","10","1823","1827","10.1107/S0108270192001859","","","1.54184","X-rayCu-Kalpha","","0.069","0.047","","","0.041","","","","","0.68","0.68","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000538","10.721","0.001","10.716","0.001","16.365","0.002","90","","90","","90","","1880.1","0.3","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl P Se Sn -","- C16 H20 Cl P Se Sn -","- C64 H80 Cl4 P4 Se4 Sn4 -","4","1","AL0530","Preut, H.; Godry, B.; Mitchell, T. N.","Structure of [2-(chlorodimethylstannyl)ethyl]diphenylphosphine selenide","Acta Crystallographica Section C","1992","48","10","1834","1835","10.1107/S0108270192001793","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000548","6.739","0.005","16.963","0.006","17.094","0.006","90","","90","","90","","1954.1","1.7","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C22 H32 O6 -","- C22 H32 O6 -","- C88 H128 O24 -","4","1","AB0231","Wang, J.-L.; Zhang, L.-J.; Miao, F.-M.; Sun, H.-D.; Gong, Y.-H.","Structure of xindongnin B","Acta Crystallographica Section C","1992","48","10","1853","1855","10.1107/S0108270191013410","","","1.541","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000550","7.766","0.006","11.809","0.004","27.219","0.011","90","","90","","90","","2496","2","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O6 -","- C26 H34 O6 -","- C104 H136 O24 -","4","1","ST0563","Baures, P. W.; Miski, M.; Eggleston, D. S.","Structure of 3,6-diacetyl-8-benzoylantakyatriol","Acta Crystallographica Section C","1992","48","10","1857","1859","10.1107/S0108270192001598","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000557","8.1446","0.0011","12.238","0.002","14.186","0.003","90","","90","","90","","1414","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N8 O8 -","- C9 H14 N8 O8 -","- C36 H56 N32 O32 -","4","1","HH0608","Gilardi, R.; Flippen-Anderson, J. L.; George, C. F.","Structure of 8,10-diacetyl-2,4,6-trinitro-2,4,6,8,10-pentaazabicyclo[5.3.0]decane","Acta Crystallographica Section C","1992","48","10","1872","1873","10.1107/S0108270192001707","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000560","9.463","0.002","11.251","0.003","18.871","0.006","90","","90","","90","","2009.2","0.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C88 H104 N8 O20 -","4","1","ST0565","Lynch, V. M.; Corbett, J. W.; Martin, S. F.; Davis, B. E.","Structure of a chiral intermediate in the synthesis of (+)-19-epiajmalicine","Acta Crystallographica Section C","1992","48","10","1878","1880","10.1107/S0108270192002336","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000582","5.5448","0.0003","5.8829","0.0003","7.7434","0.0004","90","","90","","90","","252.59","0.02","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- H I O3 -","- H I O3 -","- H4 I4 O12 -","4","1","AB0266","Ståhl, K.; Szafranski, M.","A neutron powder diffraction study of HIO~3~ and DIO~3~","Acta Crystallographica Section C","1992","48","9","1571","1574","10.1107/S0108270192001094","","neutron","1.47","Neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000583","5.5408","0.0004","5.8745","0.0004","7.7356","0.0005","90","","90","","90","","251.79","0.03","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- D I O3 -","- D I O3 -","- D4 I4 O12 -","4","1","AB0266","Ståhl, K.; Szafranski, M.","A neutron powder diffraction study of HIO~3~ and DIO~3~","Acta Crystallographica Section C","1992","48","9","1571","1574","10.1107/S0108270192001094","","neutron","1.47","Neutron","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000610","9.7484","0.0007","10.3086","0.0006","19.2656","0.0008","90","","90","","90","","1936","0.2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O3 Sn -","- C21 H19 N O3 Sn -","- C84 H76 N4 O12 Sn4 -","4","1","AS0552","Lo, K. M.; Ng, S. W.; Wei, C.; Kumar Das, V. G.","Structure of triphenyltin glyoxalate <i>O</i>-methyloxime","Acta Crystallographica Section C","1992","48","9","1657","1658","10.1107/S0108270192000945","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000627","7.598","0.003","25.635","0.002","5.774","0.003","90","","90","","90","","1124.6","0.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O S2 -","- C11 H14 O S2 -","- C44 H56 O4 S8 -","4","1","LI0121","Barkley, J.; Harding, M. M.; Kariuki, B. M.; Namwindwa, E. S.; Page, P. C. B.","<i>syn</i>-2-Benzyl-1,3-dithiane 1-oxide","Acta Crystallographica Section C","1992","48","9","1689","1690","10.1107/S0108270192000878","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000629","7.6209","0.0002","9.1292","0.0003","9.6135","0.0005","90","","90","","90","","668.84","0.04","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C6 H10 O4 -","- C6 H10 O4 -","- C24 H40 O16 -","4","1","HH0600","Garcia, J. G.; Voll, R. J.; Fronczek, F. R.; Younathan, E. S.","Structure of 2,5:3,4-dianhydro-<small>D</small>-altritol","Acta Crystallographica Section C","1992","48","9","1692","1694","10.1107/S0108270192001057","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000631","9.496","0.001","12.508","0.002","23.317","0.004","90","","90","","90","","2769.5","0.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 O7 Si -","- C24 H44 O7 Si -","- C96 H176 O28 Si4 -","4","1","ST0553","Abboud, K. A.; Enholm, E. J.; Trivellas, A.","Structure of a densely oxygenated carbocycle","Acta Crystallographica Section C","1992","48","9","1695","1698","10.1107/S0108270192001033","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208466","2020-10-21","18:00:00",""
"2000645","6.548","0.002","9.685","0.002","21.282","0.008","90","","90","","90","","1349.6","0.7","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2α, 3α,-7α, 13α-diépoxyhimachalane","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","PA1001","Chiaroni, A.; Riche, C.; Benharref, A.; Chekroun, A.; Lavergne, J.-P.","Structure du 2α,3α,7α,13α-diépoxyhimachalane","Acta Crystallographica Section C","1992","48","9","1720","1722","10.1107/S0108270192005316","","","1.5418","CuKα","","","0.054","","","0.071","","","","","0.96","0.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000646","14.932","0.003","14.85","0.002","7.173","0.002","90","","90","","90","","1590.5","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-S-Chloro-3',4'-dihydro-spiro[1,3-dioxolane-2,1'- (2'H)-naphthalene]-4,5-R,R-dicarboxylic Acid Dimethyl Ester","","- C16 H17 Cl O6 -","- C16 H17 Cl O6 -","- C64 H68 Cl4 O24 -","4","1","KA1004","Ianelli, S.; Nardelli, M.; Giordano, C.; Coppi, L.; Restelli, A.","Enantiomerically pure α-haloketals: structure and conformation of (2'<i>S</i>,4'<i>R</i>,5'<i>R</i>)-dimethyl 2'-halo-1',2',3',4'-tetrahydrospiro[1,3-dioxolane-2,1'-naphthalene]-4,5-dicarboxylates (halo = Cl, Br, I)","Acta Crystallographica Section C","1992","48","9","1722","1727","10.1107/S0108270192005699","","","0.7093","Mo-Kα~1~","","","0.0318","","","0.0407","","","","","0.4548","0.4548","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000647","15.054","0.003","14.924","0.002","7.207","0.002","90","","90","","90","","1619.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-S-Bromo-3',4'-dihydro-spiro[1,3-dioxolane-2,1'- (2'H)-naphthalene]-4,5-R,R-dicarboxylic Acid Dimethyl Ester","","- C16 H17 Br O6 -","- C16 H17 Br O6 -","- C64 H68 Br4 O24 -","4","1","KA1004","Ianelli, S.; Nardelli, M.; Giordano, C.; Coppi, L.; Restelli, A.","Enantiomerically pure α-haloketals: structure and conformation of (2'<i>S</i>,4'<i>R</i>,5'<i>R</i>)-dimethyl 2'-halo-1',2',3',4'-tetrahydrospiro[1,3-dioxolane-2,1'-naphthalene]-4,5-dicarboxylates (halo = Cl, Br, I)","Acta Crystallographica Section C","1992","48","9","1722","1727","10.1107/S0108270192005699","","","1.54056","Cu-Kα~1~","","","0.0431","","","0.0558","","","","","0.7118","0.7118","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000669","9.3667","0.0008","13.689","0.002","23.042","0.002","90","","90","","90","","2954.5","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C30 H32 O6 P2 Ru -","- C30 H32 O6 P2 Ru -","- C120 H128 O24 P8 Ru4 -","4","1","MU0244","Blake, A. J.; Crook, J. R.; Mawby, R. J.; Reid, A. J.; Reynolds, C. D.","Structure of <i>cis</i>-dicarbonyl[2-carboxylato-1-methoxycarbonyl-2-(4-methylphenyl)vinyl]-<i>trans</i>-bis(dimethylphenylphosphine)ruthenium(II), a complex containing a bidentate vinyl ligand","Acta Crystallographica Section C","1992","48","8","1411","1414","10.1107/S010827019200057X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000682","9.829","0.001","13.29","0.002","18.864","0.003","90","","90","","90","","2464.2","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C24 H24 N6 O4 S2 -","- C24 H24 N6 O4 S2 -","- C96 H96 N24 O16 S8 -","4","1","HH0557","Shin, W.; Kim, Joonyeong","Structure of diphenylmethyl 7β-amino-7α-methoxy-3-[(1-methyl-1<i>H</i>-tetrazol-5-ylthio)methyl]-3-cephem-4-carboxylate","Acta Crystallographica Section C","1992","48","8","1451","1453","10.1107/S0108270192000489","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","199682","2020-10-21","18:00:00",""
"2000683","11.038","0.005","11.211","0.006","14.436","0.008","90","","90","","90","","1786.4","1.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C16 H19 N3 O6 S -","- C16 N3 O6 S -","- C64 N12 O24 S4 -","4","1","HH0558","Shin, W.; Cho, S. W.","Structure of cefadroxil monohydrate","Acta Crystallographica Section C","1992","48","8","1454","1456","10.1107/S0108270192000490","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000690","23.866","0.011","9.571","0.005","6.686","0.003","90","","90","","90","","1527.2","1.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C72 H60 N12 O16 -","4","1","GE0276","Agmon, I.; Ashkenazi, P.; Kaftory, M.","Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione","Acta Crystallographica Section C","1992","48","8","1479","1484","10.1107/S0108270192001069","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000691","24.104","0.012","9.774","0.005","6.463","0.003","90","","90","","90","","1522.6","1.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H15 N3 O4 -","- C18 H15 N3 O4 -","- C72 H60 N12 O16 -","4","1","GE0276","Agmon, I.; Ashkenazi, P.; Kaftory, M.","Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione","Acta Crystallographica Section C","1992","48","8","1479","1484","10.1107/S0108270192001069","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000692","13.096","0.006","12.653","0.006","10.696","0.005","90","","90","","90","","1772.4","1.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C80 H76 N12 O16 -","4","1","GE0276","Agmon, I.; Ashkenazi, P.; Kaftory, M.","Structure of Diels-Alder reaction adducts of certain propellanes with 4-phenyl-1,2,4-triazoline-3,5-dione","Acta Crystallographica Section C","1992","48","8","1479","1484","10.1107/S0108270192001069","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000698","10.535","0.002","10.936","0.002","16.5","0.003","90","","90","","90","","1901","0.6","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Br P S Sn -","- C16 H20 Br P S Sn -","- C64 H80 Br4 P4 S4 Sn4 -","4","1","AL0519","Preut, H.; Godry, B.; Mitchell, T. N.","[2-(Bromodimethylstaannyl)ethyl]diphenylphosphine sulfide","Acta Crystallographica Section C","1992","48","8","1491","1493","10.1107/S0108270191014750","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000715","8.482","0.001","11.844","0.002","11.943","0.002","90","","90","","90","","1199.8","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 N6 O6 -","- C8 H12 N6 O6 -","- C32 H48 N24 O24 -","4","1","HH0606","Gilardi, R.; George, C.; Flippen-Anderson, J. L.","Structure of 6,8-diacetyl-2,4-dinitro-2,4,6,8-tetraazabicyclo[3.3.0]octane","Acta Crystallographica Section C","1992","48","8","1532","1533","10.1107/S0108270191014968","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000716","10.636","0.002","12.759","0.001","18.185","0.002","90","","90","","90","","2467.8","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 N2 O2 P -","- C25 H41 N2 O2 P -","- C100 H164 N8 O8 P4 -","4","1","CD0065","Bélanger-Gariépy, F.; Bennani, Y. L.; Beaudoin, S.; Hanessian, S.","Structure of a chiral bicyclic β-hydroxyphosphonamide - an asymmetric olefination intermediate, C~25~H~41~N~2~O~2~P","Acta Crystallographica Section C","1992","48","8","1533","1535","10.1107/S0108270191014671","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000745","8.014","0.004","13.66","0.007","18.023","0.007","90","","90","","90","","1973","1.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 Co N4 S2 -","- C17 H26 Co N4 S2 -","- C68 H104 Co4 N16 S8 -","4","1","HA0093","Jupp, K. M.; Raithby, P. R.","Structure of dithiocyanato[({-})-spartein]cobalt(II)","Acta Crystallographica Section C","1992","48","7","1214","1216","10.1107/S0108270191014439","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000750","21.37","0.02","22.04","0.01","8.66","0.01","90","","90","","90","","4079","6","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H44 Ba2 N10 O28 P2 -","- C20 H44 Ba2 N10 O28 P2 -","- C80 H176 Ba8 N40 O112 P8 -","4","1","SE0083","Churchill, M. E. A.; Pritchard, R. G.; Helliwell, M.","Structure of barium guanosine 5'-monophosphate","Acta Crystallographica Section C","1992","48","7","1223","1227","10.1107/S0108270192001136","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000797","7.825","0.001","14.254","0.001","18.91","0.002","90","","90","","90","","2109.2","0.4","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","ent-3α,11b-Diacetoxy-2β-hydroxy-16-oxo-17,20-dinor-9α,15α- cyclogibberell- 1(10)-ene-7,19-dioic Acid 7-Methyl Ester 19,2-Lactone","","- C23 H24 O9 -","- C23 H24 O9 -","- C92 H96 O36 -","4","1","HL1000","Furber, M.; Mander, L. N.; Patrick, G. L.; Willis, A. C.","A 9,5-cyclogibberellin formed from a bromogibberellin-16-one derivative","Acta Crystallographica Section C","1992","48","7","1348","1350","10.1107/S0108270192003767","","","0.71069","MoKαradiation","","0.059","0.04","","0.056","0.048","","","","1.352","1.419","1.419","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000802","10.928","0.004","37.398","0.004","6.139","0.004","90","","90","","90","","2508.9","1.9","297","","297","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16-(p-butoxybenzylidene)androsta-1,4-diene-3,17-dione","","- C30 H36 O3 -","- C30 H36 O3 -","- C120 H144 O12 -","4","1","HL1004","Ogawa, K.; Yoshimura, S.; Kaji, M.; Kagawa, H.; Kakuta, A.","16-(<i>p</i>-Butoxybenzylidene)androsta-1,4-diene-3,17-dione","Acta Crystallographica Section C","1992","48","7","1359","1361","10.1107/S0108270192003925","","","1.54184","","","0.057","0.05","","0.059","0.058","","","","2.441","2.58","2.58","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2000823","7.659","0.001","12.741","0.001","15.095","0.001","90","","90","","90","","1473","0.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C68 H68 N12 O8 -","4","1","LI0105","Priya, V.; Shamala, N.; Viswamitra, M. A.; Senthil Kumar, U. P.; Jeyaraman, R.","Structure of <i>N</i>-nitroso-<i>r</i>-2,<i>c</i>-7-diphenylhexahydro-1,4-diazepin-5-one","Acta Crystallographica Section C","1992","48","6","1048","1051","10.1107/S0108270191012982","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000839","7.353","0.001","10.153","0.001","25.324","0.003","90","","90","","90","","1890.6","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O2 -","- C21 H32 N2 O2 -","- C84 H128 N8 O8 -","4","1","HE0035","Maes, D.; Wyns, L.; Lisgarten, J.; Lisgarten, D.; Palmer, R.","Structure of (20<i>R</i>)-5α-pregnano[3,4-<i>c</i>][1,2,5]oxadiazol-20-ol (HS1011)","Acta Crystallographica Section C","1992","48","6","1092","1095","10.1107/S010827019101466X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000853","4.762","0.001","11.196","0.004","21.421","0.007","90","","90","","90","","1142.1","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C11 H13 F O2 S -","- C11 H13 F O2 S -","- C44 H52 F4 O8 S4 -","4","1","GE0292","Fabrizi, G.; Fedeli, W.; Lamba, D.","Structure of 2-(fluoromethyl)-2-[(<i>p</i>-tolylsulfinyl)methyl]oxirane","Acta Crystallographica Section C","1992","48","6","1131","1133","10.1107/S0108270191013574","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000857","6.3847","0.0008","10.234","0.001","22.251","0.003","90","","90","","90","","1453.9","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C68 H68 N12 O4 -","4","1","PA0257","Rodier, N.; Cense, J.-M.; Robert, J.-M.; Le Baut, G.","<i>N</i>-(4,6-Diméthylpyridin-2-yl)(1-méthylindol-2-yl)carboxamide","Acta Crystallographica Section C","1992","48","6","1148","1150","10.1107/S0108270191013732","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000867","14.457","0.004","21.38","0.006","10.209","0.003","90","","90","","90","","3155.5","1.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C28 H42 N3 O9 Tc -","- C28 H29 N4 O10 Tc -","- C112 H116 N16 O40 Tc4 -","4","1","CD0058","Rochon, F. D.; Melanson, R.; Kong, P.-C.","Structure of bis(4-nitro-1,2-catecholato)oxotechnetium(V)","Acta Crystallographica Section C","1992","48","5","785","788","10.1107/S010827019101185X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000878","6.0219","0.0008","14.8748","0.0014","15.1877","0.0016","90","","90","","90","","1360.4","0.3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C15 H12 F N O4 -","- C15 H12 F N O4 -","- C60 H48 F4 N4 O16 -","4","1","HA0052","Jones, P. G.; Dölle, A.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrophenyl ether and the 4-nitrobenzoate ester of 2-fluoro-2-phenylethanol","Acta Crystallographica Section C","1992","48","5","835","837","10.1107/S0108270191012179","","","1.54179","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000883","5.2568","0.0009","5.7559","0.0009","36.385","0.007","90","","90","","90","","1100.9","0.3","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C8 H6 F3 N O5 S -","- C8 H6 F3 N O5 S -","- C32 H24 F12 N4 O20 S4 -","4","1","HA0054","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 4-nitrobenzenesulfonate esters of 2-fluoroethanol and 2,2,2-trifluoroethanol","Acta Crystallographica Section C","1992","48","5","841","844","10.1107/S0108270191012192","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000896","5.8904","0.0015","10.96","0.003","33.09","0.008","90","","90","","90","","2136.3","1","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C22 H28 F O4 P -","- C22 H29 F2 O4 P -","- C88 H116 F8 O16 P4 -","4","1","HA0060","Jones, P. G.; Kirby, A. J.; Parker, J. K.","Bond length and reactivity. The effect of β-fluorine. Structures of the 9-(9-phenylxanthenyl) ether, and the 4-phenylbenzoate, diphenyl phosphate and methanesulfonate esters of <i>cis</i>,<i>trans</i>-4-<i>tert</i>-butyl-2-fluorocyclohexanol","Acta Crystallographica Section C","1992","48","5","859","864","10.1107/S0108270191012258","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000904","11.153","0.004","14.833","0.003","19.332","0.005","90","","90","","90","","3198.1","1.6","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C28 H36 I2 N2 O4 S2 -","- C28 H36 I2 N2 O4 S2 -","- C112 H144 I8 N8 O16 S8 -","4","1","AL0477","Anderson, M.; Gallagher, T.; Mahon, M. F.; Molloy, K. C.; Shaw, R.","Structure of (<i>Z</i>,<i>Z</i>)-3,11-diiodo-<i>N</i>,<i>N</i>-ditosyl-1,9-diazacyclohexadeca-3,11-diene","Acta Crystallographica Section C","1992","48","5","883","885","10.1107/S0108270191011782","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000910","9.799","0.001","11.853","0.001","17.316","0.002","90","","90","","90","","2011.2","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","LI0088","Begum, N. S.; Venkatesan, K.","Studies on nonlinear optical materials: structure of diphenylmethyl (<i>Z</i>)-1-(1-methylthio-2-nitrovinyl)tetrahydropyrrole-2-carboxylate","Acta Crystallographica Section C","1992","48","5","902","905","10.1107/S0108270191011836","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000917","12.714","0.005","14.726","0.002","7.453","0.004","90","","90","","90","","1395.4","0.9","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C12 H17 Cl N O2 P -","- C12 H17 Cl N O2 P -","- C48 H68 Cl4 N4 O8 P4 -","4","1","CR0375","Robinson, P. D.; Hua, D. H.; Roche, D.","Structure of (2<i>R</i>,4<i>R</i>,5<i>R</i>)-2-chloro-3-isopropyl-4-methyl-5-phenyl-1,3,2-oxazaphospholidine 2-oxide","Acta Crystallographica Section C","1992","48","5","923","925","10.1107/S0108270191010727","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000919","6.502","0.001","11.393","0.001","32.739","0.001","90","","90","","90","","2425.2","0.4","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl2 N O6 P -","- C21 H30 Cl2 N O6 P -","- C84 H120 Cl8 N4 O24 P4 -","4","1","AB0249","Bruins Slot, H. J.; Leusen, F. J. J.; van der Haest, A. D.; van Bolhuis, F.","Structures of a pair of diastereomeric salts of ephedrine and dichloro-substituted cyclic phosphoric acid","Acta Crystallographica Section C","1992","48","5","925","929","10.1107/S0108270191011721","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000920","8.742","0.001","10.982","0.001","17.302","0.002","90","","90","","90","","1661.1","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O9 -","- C14 H19 N O9 -","- C56 H76 N4 O36 -","4","1","LI0112","Ondráček, J.; Novotný, J.; Kefurt, K.; Havlíček, J.","Structure of 2,3,4,5-tetra-<i>O</i>-acetyl-6-amino-6-deoxy-<small>D</small>-mannonolactam","Acta Crystallographica Section C","1992","48","5","929","930","10.1107/S010827019101171X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000924","7.0784","0.0008","12.1106","0.0008","22.721","0.002","90","","90","","90","","1947.7","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C92 H80 O20 -","4","1","ST0538","Prince, P.; Evans, K. L.; Fronczek, F. R.; Gandour, R. D.","Methyl 8-[(2,6-dimethoxyphenyl)ethynyl]-7-methoxy-2-naphthoate","Acta Crystallographica Section C","1992","48","5","936","938","10.1107/S0108270191011277","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000928","7.536","0.005","9.926","0.008","23.397","0.016","90","","90","","90","","1750","2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","KA0010","Ribár, B.; Lazar, D.; Gašić, O.; Kanyó, I.; Engel, P.","Structure of isocorydine","Acta Crystallographica Section C","1992","48","5","945","947","10.1107/S0108270191011587","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2000948","11.31","0.003","18.146","0.011","18.926","0.004","90","","90","","90","","3884","3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C12 H31 B9 O Ru -","- C12 H31 B9 O Ru -","- C96 H248 B72 O8 Ru8 -","8","2","MU0284","Macgregor, S. A.; Welch, A. J.; Yellowlees, L. J.","5-(η-<i>p</i>-Cymene)-6-ethoxy-5-ruthena-<i>nido</i>-decaborane(12)","Acta Crystallographica Section C","1992","48","4","629","633","10.1107/S0108270191010934","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2000969","6.3863","0.0008","14.346","0.002","17.247","0.002","90","","90","","90","","1580.1","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C13 H25 N3 O4 -","- C13 H25 N3 O4 -","- C52 H100 N12 O16 -","4","1","GE0277","Puliti, R.; Mattia, C. A.; Lilley, T. H.","Structure of <i>N</i>-acetyl-<small>L</small>-leucyl-<small>L</small>-prolinamide monohydrate","Acta Crystallographica Section C","1992","48","4","709","712","10.1107/S0108270191011162","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000974","7.199","0.001","12.157","0.002","33.888","0.002","90","","90","","90","","2965.8","0.7","","","","","","","","","","","","3","P 21 21 21","P 2 2ab","","","","","- C32 H54 O4 -","- C30 H48 O3 -","- C120 H192 O12 -","4","1","PA0243","Simon, A.; Delage, C.; Saux, M.; Chulia, A. J.; Najid, A.; Rigaud, M.","Structure of ursolic acid ethanol solvate","Acta Crystallographica Section C","1992","48","4","726","728","10.1107/S0108270191012581","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2000983","11.0716","0.0004","11.6305","0.0004","22.6463","0.0009","90","","90","","90","","2916.12","0.19","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Cl5 N2 Pt Sn -","- C26 H29 Cl5 N2 Pt Sn -","- C104 H116 Cl20 N8 Pt4 Sn4 -","4","1","GE0285","Smeets, W. J. J.; Spek, A. L.; van Beek, J. A. M.; van Koten, G.","Structure of <i>a</i>-chloro-<i>b</i>-dichloromethylstannio-[<i>dc</i>,<i>ef</i>-bis(8-dimethylamino-1-naphthyl)]platinum(IV)","Acta Crystallographica Section C","1992","48","4","745","747","10.1107/S0108270191011812","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2000987","12.521","0.001","29.271","0.003","6.779","0.001","90","","90","","90","","2484.5","0.5","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C29 H42 O4 -","- C29 H42 O4 -","- C116 H168 O16 -","4","1","AS0539","Nakai, H.","Structure of a glycyrrhetinic acid derivative","Acta Crystallographica Section C","1992","48","4","762","763","10.1107/S0108270191011034","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","192203","2020-10-21","18:00:00",""
"2001002","10.591","0.001","11.133","0.001","13.657","0.002","90","","90","","90","","1610.3","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C19 H26 O4 -","- C20 H23 O5 -","- C80 H92 O20 -","4","1","AL0474","Dastidar, P.; Shankar, V. N.; Madyastha, K. M.; Guru Row, T. N.","Structure of 9α,19-dihydroxy-4-androstene-3,17-dione","Acta Crystallographica Section C","1992","48","3","486","488","10.1107/S0108270191009319","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001018","13.119","0.001","22.204","0.003","9.868","0.001","90","","90","","90","","2874.5","0.5","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C30 H38 O9 -","- C30 H38 O9 -","- C120 H152 O36 -","4","1","AS0528","Kubota, M.; Ohba, S.; Kosemura, S.; Matsunaga, K.; Yamamura, S.","Structure of citreohybridone A","Acta Crystallographica Section C","1992","48","3","552","554","10.1107/S0108270191009770","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001022","9.131","0.002","11.629","0.009","25.203","0.007","90","","90","","90","","2676","2","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C27 H36 O6 -","- C27 H30 O6 -","- C108 H120 O24 -","4","1","AB0226","Berg, J.-E.; Wahlberg, I.","Structure of a benzoyl derivative of an epidioxy-containing tobacco cembranoid","Acta Crystallographica Section C","1992","48","3","564","566","10.1107/S0108270191010363","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates,has disorder","199614","2020-10-21","18:00:00",""
"2001024","12.207","0.001","14.715","0.001","11.572","0.001","90","","90","","90","","2078.6","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C24 H29 F O4 -","- C24 H29 F O4 -","- C96 H116 F4 O16 -","4","1","CR0365","Wawrzak, Z.; Griffin, J. F.; Strong, P. D.; Duax, W. L.","Structure of 6-fluoro-1β,2β-methylene-3,20-dioxo-9β,10α-pregna-4,6-dien-17α-yl acetate","Acta Crystallographica Section C","1992","48","3","570","572","10.1107/S0108270191010715","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001057","11.363","0.002","16.676","0.002","20.307","0.002","90","","90","","90","","3848","0.9","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C32 H21 Cl15 N2 O3 -","- C32 H21 Cl15 N2 O3 -","- C128 H84 Cl60 N8 O12 -","4","1","GE0273","Kanters, J. A.; ter Horst, E. H.; Kroon, J.; Grech, E.","Complexes of the `proton sponge' 1,8-bis(dimethylamino)naphthalene (DMAN). III. Structure of [DMANH]^+^.[pentachlorophenolate]^{-^}.[pentachlorophenol]~2~ at 100 K","Acta Crystallographica Section C","1992","48","2","328","332","10.1107/S0108270191009459","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001064","13.65","0.001","20.784","0.009","7.773","0.002","90","","90","","90","","2205.2","1.1","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C17 H20 Cl3 Mn N2 O9 -","- C17 H20 Cl3 Mn N2 O9 -","- C68 H80 Cl12 Mn4 N8 O36 -","4","1","AL0491","McAuliffe, C. A.; Pritchard, R. G.; Garcia-Deibe, A.; Sousa, A.; Bermejo, M. R.","Diaqua-<i>N</i>,<i>N</i>'-trimethylenebis(5'-chlorosalicylideneaminato)manganese(III) perchlorate monohydrate: a Schiff-base complex linked into infinite spirals by hydrogen and π bonds","Acta Crystallographica Section C","1992","48","2","364","366","10.1107/S0108270191009903","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001073","10.235","0.002","10.833","0.001","10.129","0.003","90","","90","","90","","1123.1","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C10 H15 N3 O5 -","- C10 H15 N3 O5 -","- C40 H60 N12 O20 -","4","1","AS0513","Yamaguchi, K.; Matsumura, G.; Shimizu, M.; Tanaka, H.; Miyasaka, T.","Structure of 1-(β-<small>D</small>-arabinofuranosyl)-6-methylcytosine","Acta Crystallographica Section C","1992","48","2","384","385","10.1107/S0108270191008739","","","1.5405","Cu","","","","","","","","","","","","","","","","","has coordinates","190731","2020-10-21","18:00:00",""
"2001076","6.72","0.003","11.618","0.006","30.452","0.012","90","","90","","90","","2377.5","1.9","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C32 H22 O4 -","- C32 H22 O4 -","- C128 H88 O16 -","4","1","CR0337","Bryant, Jnr, G. L.; Nye, S. A.","Structure of terphenyldiol dibenzoate","Acta Crystallographica Section C","1992","48","2","389","391","10.1107/S0108270191008247","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001095","13.482","0.001","15.926","0.004","9.827","0.002","90","","90","","90","","2110","0.7","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C20 H28 Cl2 N P Pt -","- C20 H31 Cl2 N P Pt -","- C80 H124 Cl8 N4 P4 Pt4 -","4","1","CD0057","Payne, N. C.; Tobin, G. R.","A chiral aminophosphine complex of platinum: structure of <i>cis</i>-dichloro[(1<i>S</i>)-<i>N</i>,<i>N</i>-dimethyl-1-{2-[(<i>S</i>)-<i>tert</i>-butylphenylphosphino]phenyl}ethylamine-<i>N</i>,<i>P</i>]platinum(II)","Acta Crystallographica Section C","1992","48","1","45","48","10.1107/S0108270191009216","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001097","8.759","0.003","13.037","0.003","15.366","0.004","90","","90","","90","","1754.7","0.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C15 H20 B9 Co -","- C15 H20 B9 Co -","- C60 H80 B36 Co4 -","4","1","MU0270","Lewis, Z. G.; Welch, A. J.","Synthesis and structure of 3-fluorenyl-3-cobalta-1,2-dicarba-<i>closo</i>-nonaborane(11), 3-(η^5^-C~13~H~9~)-3,1,2-<i>closo</i>-CoC~2~B~9~H~11~","Acta Crystallographica Section C","1992","48","1","53","57","10.1107/S0108270191009058","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001122","8.331","0.004","24.066","0.008","5.663","0.002","90","","90","","90","","1135.4","0.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","MU0212","Su, G.; Guo, S.; Pan, F.; He, Y.","Structure of 4-amino-4'-methylbenzophenone","Acta Crystallographica Section C","1992","48","1","210","211","10.1107/S0108270191008983","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176340","2020-10-21","18:00:00",""
"2001180","5.87","0.001","13.845","0.002","22.664","0.002","90","","90","","90","","1841.9","0.4","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(±)(1R,2S,3R,6S,7R,8S,13S)-9-[(phenylacetoxy)ethyl]-10-trifluoromethyl- 11,12-dioxatetracyclo [6.2.1.1.^3,6^0^2,7^]deca-4,9-diene","","- C21 H19 F3 O4 -","- C21 H19 F3 O4 -","- C84 H76 F12 O16 -","4","1","HU1033","Barlow, M. G.; Pritchard, R. G.; Tajammal, S.; Tipping, A. E.","Two diastereoisomers of 1-(10-trifluoromethyl-11,12-dioxatetracyclo[6.2.1.1^3,6^.0^2,7^]dodeca-4,9-dien-9-yl)ethyl phenylacetate, C~21~H~19~F~3~O~4~: members of a series of adducts generated by repeated Diels‒Alder cycloaddition of furan to 5,5,5-trifluoropent-3-yn-2-yl phenylacetate","Acta Crystallographica Section C","1993","49","12","2151","2153","10.1107/S0108270193007668","","","0.7107","MoKα","","","0.0689","","","0.0349","","","","","1.954","1.954","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001182","4.841","0.004","14.617","0.007","33.46","0.01","90","","90","","90","","2368","2","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(+)-(S{R[R-(R)]})-α,α'-[Iminobis(methylene-6-fluoro-3,4-dihydro -2H-1-benzopyran-2-methanol)] Hydrobromide Dihydrate","","- C22 H30 Br F2 N O6 -","- C22 H30 Br F2 N O6 -","- C88 H120 Br4 F8 N4 O24 -","4","1","NA1052","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","Structure and absolute configuration of nebivolol: (±)-(<i>R</i>*{<i>S</i>*[<i>S</i>*-(<i>S</i>*)]})-α,α'-[iminobis(methylene)]bis(6-fluoro-3,4-dihydro-2<i>H</i>-1-benzopyran-2-methanol) (nebivolol) hydrochloride (I) and (+)-(<i>S</i>{<i>R</i>[<i>R</i>-(<i>R</i>)]})-nebivolol hydrobromide dihydrate (II)","Acta Crystallographica Section C","1993","49","12","2154","2157","10.1107/S0108270193006687","","","1.54178","CuKα","","0.1867","0.0658","","0.1214","0.0833","","","","","1.53","1.53","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001198","7.321","0.006","12.79","0.001","22.822","0.003","90","","90","","90","","2137","1.8","290.5","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Cr O4 S -","- C22 H28 Cr O4 S -","- C88 H112 Cr4 O16 S4 -","4","1","HL1032","Clark, G. R.; Cambie, R. C.; King, M. D.; Rutledge, P. S.; Woodgate, P. D.","Structure of dicarbonyl[(8,9,11,12,13,14-η)-12,19-dimethoxypodocarpa-8,11,13-triene]thiocarbonylchromium(0)","Acta Crystallographica Section C","1993","49","11","1892","1895","10.1107/S0108270193004172","","","0.71069","MoKα","","","0.0412","","","0.0333","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001227","5.116","0.001","10.572","0.002","28.87","0.01","90","","90","","90","","1561.5","0.7","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-6-[(4-chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl]-1-methyl-1H- benzotriazole","","- C16 H13 Cl N6 -","- C16 H13 Cl N6 -","- C64 H52 Cl4 N24 -","4","1","NA1038","Peeters, O. M.; Schuerman, G. S.; Blaton, N. M.; De Ranter, C. J.","Structure and absolute configuration of (+)-6-[(4-chlorophenyl)(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1-methyl-1<i>H</i>-benzotriazole (vorozole) and its hydrobromide monohydrate","Acta Crystallographica Section C","1993","49","11","1958","1961","10.1107/S0108270193004792","","","1.54184","CuKα","","0.0861","0.05","","0.2802","0.0628","","","","","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001228","6.008","0.003","8.401","0.004","35.92","0.02","90","","90","","90","","1813","1.6","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(+)-6-[(4-Chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl]-1-methyl-1H- benzotriazole Hydrobromide Monohydrate","","- C16 H16 Br Cl N6 O -","- C16 H16 Br Cl N6 O -","- C64 H64 Br4 Cl4 N24 O4 -","4","1","NA1038","Peeters, O. M.; Schuerman, G. S.; Blaton, N. M.; De Ranter, C. J.","Structure and absolute configuration of (+)-6-[(4-chlorophenyl)(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1-methyl-1<i>H</i>-benzotriazole (vorozole) and its hydrobromide monohydrate","Acta Crystallographica Section C","1993","49","11","1958","1961","10.1107/S0108270193004792","","","0.71073","MoKα","","0.0617","0.036","","0.0484","0.0451","","","","","1.57","1.57","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001229","7.3416","0.0008","10.3924","0.0008","21.509","0.002","90","","90","","90","","1641.1","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-α-[(2-acetyl-5-methylphenyl)amino]-2,6-dichlorobenzeneacetamide","","- C17 H16 Cl2 N2 O2 -","- C17 H16 Cl2 N2 O2 -","- C68 H64 Cl8 N8 O8 -","4","1","NA1041","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","Structure and absolute configuration of (‒)-α-[(2-acetyl-5-methylphenyl)amino]-2,6-dichlorobenzeneacetamide","Acta Crystallographica Section C","1993","49","11","1961","1963","10.1107/S0108270193004780","","","1.54184","CuKα","","0.0334","0.0333","","0.0775","0.0575","","","","","0.94","0.94","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001244","19.482","0.002","11.8207","0.0007","11.0553","0.0008","90","","90","","90","","2545.9","0.4","295","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C23 H29 N O11 -","- C23 H29 N O13 -","- C92 H116 N4 O52 -","4","1","AB0308","Czarnocki, Z.; Maurin, J. K.","Enantioselective synthesis of isoquinoline alkaloids from simple sugar. I. Structure of an oxaziridine derivative","Acta Crystallographica Section C","1993","49","11","1992","1994","10.1107/S0108270193004433","","","1.54051","CuKα","","","0.0589","","","0.0828","","","","","3.3","3.3","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001250","20.841","0.002","12.947","0.002","8.168","0.001","90","","90","","90","","2204","0.5","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C23 H26 N2 O5 -","- C23 H26 N2 O5 -","- C92 H104 N8 O20 -","4","1","CD1011","Valle, G.; Formaggio, F.; Crisma, M.; Toniolo, C.; Kamphuis, J.","Structure of (<i>Z</i>)-<small>L</small>-Pro-<small>D</small>-(αMe)Phe-OH","Acta Crystallographica Section C","1993","49","11","2003","2005","10.1107/S0108270193004457","","","0.7107","MoKα","","","0.046","","","0.053","","","","","1.19","1.19","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001256","10.42","0.003","17.652","0.001","9.697","0.002","90","","90","","90","","1783.6","0.6","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C20 H14 Cl2 O4 -","- C20 H14 Cl2 O4 -","- C80 H56 Cl8 O16 -","4","1","BR1036","Pokkuluri, P. R.; Scheffer, J. R.; Trotter, J.","Crystal structure and photochemistry of dimethyl 9,10-dichloro-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1993","49","11","2014","2018","10.1107/S0108270193004445","","","1.5418","CuKα","","","0.039","","","0.061","","","","","2.04","2.04","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001274","10.593","0.003","18.366","0.004","10.42","0.003","90","","90","","90","","2027.2","0.9","295","1","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C20 H22 Br2 N2 Ni O2 -","- C20 H16 Br2 N2 Ni O2 -","- C80 H64 Br8 N8 Ni4 O8 -","4","1","HH1041","Macchia, D. J.; Furey, Jnr, W. F.; Lalancette, R. A.","A comparison of the inner coordination spheres of a series of nickel(II) macrocyclic imine ethers","Acta Crystallographica Section C","1993","49","10","1706","1713","10.1107/S0108270193004597","","","0.71069","MoKα","","","0.054","","","0.067","","","","","1.46","1.46","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001291","10.327","0.004","11.306","0.003","18.427","0.006","90","","90","","90","","2151.5","1.2","294","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C19 H25 Cr N O5 Si -","- C22 H16 Cr N O5 Si -","- C88 H64 Cr4 N4 O20 Si4 -","4","1","ST1037","Heaton, S. B.; Jones, G. B.; Pennington, W. T.","Preparation of chiral tricarbonyl(η^6^-arene)chromium(0) complexes derived from (<i>S</i>)-2-indolinecarboxylic acid","Acta Crystallographica Section C","1993","49","10","1749","1753","10.1107/S0108270193003026","","","0.71073","MoKα","","","0.0383","","","0.0485","","","","","1.51","1.51","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001292","10.183","0.003","11.618","0.004","18.29","0.005","90","","90","","90","","2163.8","1.1","294","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C19 H25 Cr N O5 Si -","- C19 H25 Cr N O5 Si -","- C76 H100 Cr4 N4 O20 Si4 -","4","1","ST1037","Heaton, S. B.; Jones, G. B.; Pennington, W. T.","Preparation of chiral tricarbonyl(η^6^-arene)chromium(0) complexes derived from (<i>S</i>)-2-indolinecarboxylic acid","Acta Crystallographica Section C","1993","49","10","1749","1753","10.1107/S0108270193003026","","","0.71073","MoKα","","","0.0289","","","0.0369","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001294","9.632","0.003","17.067","0.004","25.04","0.005","90","","90","","90","","4116.3","1.8","294","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C39 H35 Hg P S3 Te3 -","- C39 Hg P S3 Te3 -","- C156 Hg4 P4 S12 Te12 -","4","1","ST1024","Zhao, J.; Kolis, J. W.; Pennington, W. T.","Tetraphenylphosphonium salts of 2-telluro-5-methylthiophene and its mercury(II) metal complex","Acta Crystallographica Section C","1993","49","10","1753","1756","10.1107/S010827019300232X","","","0.71073","MoKα","","","0.053","","","0.0566","","","","","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001309","8.934","0.003","11.556","0.004","14.884","0.006","90","","90","","90","","1536.6","1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2H,3H-2-phenyl-3,4-dimethyl-6-carbonitrile 2R-[2α,3α,6β,9α]- hexahydropyrido [2,1-b][1,3,4] oxadiazin","","- C16 H21 N3 O -","- C16 H21 N3 O -","- C64 H84 N12 O4 -","4","1","PA1042","Chiaroni, A.; Riche, C.; Guerrier, L.; Royer, J.; Grierson, D. S.; Husson, H.-P.","X-ray diffraction analysis of two hexahydropyrido[2,1-<i>b</i>][1,3,4]oxadiazines: evidence for the effect of steric congestion on anion formation at the aminonitrile centre","Acta Crystallographica Section C","1993","49","10","1786","1789","10.1107/S0108270193002136","","","1.5418","CuKα","","","0.041","","","0.06","","","","","0.82","0.82","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2001311","13.98","0.004","14.788","0.003","5.119","0.003","90","","90","","90","","1058.3","0.7","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","β-cytidine","4-amino-1-β-D-ribofuranosyl-2(1H)-pyrimidinone","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","AB1018","Ward, D. L.","β-Cytidine, C~9~H~13~N~3~O~5~","Acta Crystallographica Section C","1993","49","10","1789","1792","10.1107/S0108270193003464","","","0.71069","MoKα","","0.0615","0.0287","","0.0392","0.033","","","","","1.28","1.28","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001334","12.708","0.001","13.131","0.001","7.444","0.001","90","","90","","90","","1242.2","0.2","122","","122","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(-)-muscarone iodide","(-)-cis-N,N,N-Trimethyl-(2(S)-methyl-3-oxotetrahydro-5(S)-furyl)methylammonium iodide","","- C9 H18 I N O2 -","- C12 H18 I -","- C48 H72 I4 -","4","1","AB1062","Frydenvang, K.; Jensen, B.","Structure of (‒)-muscarone iodide","Acta Crystallographica Section C","1993","49","10","1834","1837","10.1107/S0108270193003932","","","0.71073","MoKα","","","0.031","","","0.037","","","","","1.505","1.505","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001344","6.103","0.001","12.04","0.001","18.997","0.002","90","","90","","90","","1395.9","0.3","294","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","","","","","- C19 H18 -","- C19 H18 -","- C76 H72 -","4","1","HA1041","Beddoes, R. L.; Gorman, A. A.; McNeeney, S. P.","Structure of 2,3-diphenyl-2-norbornene: comparison with data for a <i>cis</i>-stilbene","Acta Crystallographica Section C","1993","49","10","1811","1813","10.1107/S0108270193002914","","","0.71069","MoKα","","","0.05","","","0.051","","","","","0.83","0.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001353","6.618","0.001","11.584","0.002","34.533","0.004","90","","90","","90","","2647.4","0.7","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 O4 P2 S4 -","- C24 H20 O4 P2 S4 -","- C96 H80 O16 P8 S16 -","4","1","CR1049","Gallacher, A. C.; Pinkerton, A. A.","Structures of the bis(diarylthiophosphoryl) disulfides [Ph~2~P(S)]~2~S~2~ and [(PhO)~2~P(S)]~2~S~2~ and the question of P‒S π bonding","Acta Crystallographica Section C","1993","49","10","1793","1796","10.1107/S010827019300366X","","","0.71073","Mo-Kα","","","0.034","","","0.043","","","","","1.274","1.274","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001354","9.755","0.004","10.8","0.004","17.797","0.007","90","","90","","90","","1875","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C80 H96 N8 O8 -","4","1","HH1061","Flippen-Anderson, J. L.; Zajac, W. W.; Buzby, J. H.; Walters, T. R.","Structure of 1-benzoyl-4,4,5,5-tetramethyl-2-phenylimidazoline hydrate","Acta Crystallographica Section C","1993","49","10","1792","1793","10.1107/S0108270193002276","","","0.71073","MoKα","","0.0574","0.044","","0.1377","0.1148","","","","1.118","1.111","1.111","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2001355","9.487","0.004","9.179","0.004","10.666","0.007","90","","90","","90","","928.8","0.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","Poldervaartite","- Ca2 H2 O5 Si -","- Ca2 O5 Si -","- Ca16 O40 Si8 -","8","2","OH0018","Yano, T.; Urabe, K.; Ikawa, H.; Teraushi, T.; Ishizawa, N.; Udagawa, S.","Structure of α-dicalcium silicate hydrate","Acta Crystallographica Section C","1993","49","9","1555","1559","10.1107/S0108270193004767","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"2001358","4.872","0.002","11.526","0.004","15.811","0.004","90","","90","","90","","887.9","0.5","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C13 H9 N -","- C13 H9 N -","- C52 H36 N4 -","4","1","SE1015","Brett, W. A.; Rademacher, P.; Boese, R.","Redetermination of the structure of phenanthridine","Acta Crystallographica Section C","1993","49","9","1564","1566","10.1107/S0108270193005062","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001369","12.928","0.002","14.814","0.002","15.028","0.003","90","","90","","90","","2878.1","0.8","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 P S6 W -","- C26 H24 P S6 W -","- C104 H96 P4 S24 W4 -","4","1","AL1035","Burrow, T. E.; Morris, R. H.; Hills, A.; Hughes, D. L.; Richards, R. L.","Structure of dimethyl(phenyl)phosphonium tris(1,2-benzenedithiolato)tungsten(V)","Acta Crystallographica Section C","1993","49","9","1591","1594","10.1107/S0108270193001295","","","0.71069","MoKα","","","0.078","","","0.064","","","","","","","","","","","has coordinates","203417","2020-10-21","18:00:00",""
"2001373","12.639","0.004","16.931","0.006","9.458","0.003","90","","90","","90","","2023.9","1.2","295","","25","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","chloro[(dimethylphenylphosphine)]gold(I)","","- C8 H11 Au Cl P -","- C8 H11 Au Cl P -","- C64 H88 Au8 Cl8 P8 -","8","2","AS1052","Cookson, P. D.; Tiekink, E. R. T.","Chloro(dimethylphenylphosphine)gold(I)","Acta Crystallographica Section C","1993","49","9","1602","1603","10.1107/S0108270193002707","","","0.71073","MoKα","","","0.035","","","0.039","","","","","2.38","2.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001386","12.519","0.002","14.286","0.001","14.607","0.002","90","","90","","90","","2612.4","0.6","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 N3 O5 -","- C31 H35 N3 O5 -","- C124 H140 N12 O20 -","4","1","AB1047","Pinkerton, A. A.; Carrupt, P.-A.; Claret, F.; Vogel, P.","The optical resolution of bicyclo[2.2.1]hept-5-ene-2-cyanohydrins using brucine ‒ a crystallographic and molecular-mechanics study","Acta Crystallographica Section C","1993","49","9","1632","1636","10.1107/S0108270193001180","","","0.71073","MoKα","","","0.036","","","0.043","","","","","1.189","1.189","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001387","12.378","0.002","14.088","0.002","14.582","0.003","90","","90","","90","","2542.8","0.8","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N3 O6 -","- C30 H33 N3 O6 -","- C120 H132 N12 O24 -","4","1","AB1047","Pinkerton, A. A.; Carrupt, P.-A.; Claret, F.; Vogel, P.","The optical resolution of bicyclo[2.2.1]hept-5-ene-2-cyanohydrins using brucine ‒ a crystallographic and molecular-mechanics study","Acta Crystallographica Section C","1993","49","9","1632","1636","10.1107/S0108270193001180","","","0.71073","MoKα","","","0.036","","","0.043","","","","","1.195","1.195","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001393","11.865","0.003","12.174","0.004","7.127","0.002","90","","90","","90","","1029.5","0.5","138","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C9 H14 Cl N O3 -","- C9 H14 Cl N O3 -","- C36 H56 Cl4 N4 O12 -","4","1","CD1028","Xiao, G.; van der Helm, D.; Goerlitz, F. H.; Hider, R. C.; Dobbin, P. S.","Structures of 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone, its hydrochloride and 1-ethyl-3-hydroxy-2-methyl-4-pyridinone hydrochloride hydrate","Acta Crystallographica Section C","1993","49","9","1646","1649","10.1107/S0108270193001313","","","0.71073","MoKα","","","0.033","","","0.039","","","","","1.41","1.41","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001411","6.4939","0.0003","11.8032","0.0003","35.0205","0.0015","90","","90","","90","","2684.28","0.18","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 17β-benzoyloxy-14β-hydroxy-3β-methylethynyl-1,7-dioxo- 5β-androstan-19-oate","","- C30 H36 O7 -","- C30 H36 O7 -","- C120 H144 O28 -","4","1","CD1040","Michel, A. G.; Drouin, M.","Non-natural 14-hydroxy steroids. III. (±)-Methyl 17β-benzoyloxy-14β-hydroxy-3β-isopropenyl-1,7-dioxo-5β-androstan-19-oate","Acta Crystallographica Section C","1993","49","9","1683","1685","10.1107/S0108270193002744","","","0.7093","MoKα","","0.103","0.072","","0.066","0.064","","","","","2.59","2.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001412","9.0995","0.0006","13.0675","0.0007","16.3219","0.0007","90","","90","","90","","1940.8","0.18","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Epiryanodol","3-Epiryanodol","","- C20 H32 O8 -","- C20 H32 O8 -","- C80 H128 O32 -","4","1","CD1044","Michel, A. G.; Drouin, M.","Structure of 3-epiryanodol: a heptahydro diterpene","Acta Crystallographica Section C","1993","49","9","1685","1688","10.1107/S0108270193002987","","","0.7093","MoKα","","0.046","0.034","","0.03","0.029","","","","","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001456","8.906","0.003","9.826","0.003","28.039","0.008","90","","90","","90","","2453.7","1.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C27 H30 Br N O2 -","- C27 H30 Br N O2 -","- C108 H120 Br4 N4 O8 -","4","1","HA0113","Barlow, R. B.; Howard, J. A. K.; Batsanov, A. S.; O'Shea, D.; Rathbone, D. L.","Structures of <i>N</i>-benzyl- and <i>N</i>-cyclohexylmethyl-4-(diphenylacetoxy)piperidines","Acta Crystallographica Section C","1993","49","8","1502","1507","10.1107/S0108270193000174","","","0.71069","MoKα","","","0.078","","","0.068","","","","","1.49","1.49","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001459","7.6958","0.0004","9.4503","0.0006","19.4832","0.0008","90","","90","","90","","1416.97","0.13","300","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C10 H12 I N O6 S -","- C10 H12 I N O6 S -","- C40 H48 I4 N4 O24 S4 -","4","1","ST1041","Sun, G.; Fronczek, F. R.; Gandour, R. D.","(<i>R</i>)-2-Hydroxy-3-iodo-2-methylpropyl 4-nitrobenzenesulfonate","Acta Crystallographica Section C","1993","49","8","1507","1509","10.1107/S0108270193000344","","","0.71073","MoKα","","","0.032","","","0.04","","","","","2.139","2.139","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001469","29.807","0.01","9.469","0.002","11.515","0.002","90","","90","","90","","3250","1.4","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C28 H46 N4 O8 -","- C28 H46 N4 O8 -","- C112 H184 N16 O32 -","4","1","AS1046","Doi, M.; In, Y.; Tanaka, M.; Inoue, M.; Ishida, T.","Structure of Boc-Phe-<small>D</small>-Leu-Thr-OMe","Acta Crystallographica Section C","1993","49","8","1530","1532","10.1107/S0108270193002069","","","1.5418","CuKα","","","0.058","","","0.065","","","","","0.804","0.804","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001482","7.453","0.0004","9.5633","0.0005","27.831","0.003","90","","90","","90","","1983.7","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C20 H26 Cl2 N2 O2 -","- C20 H26 Cl2 N2 O2 -","- C80 H104 Cl8 N8 O8 -","4","1","CR1018","Ammon, H. L.; Youssefyeh, R. D.; Airey, J. E.; Studt, W. L.; Campbell, H. F.; Powers, M. R.; Golec, F. A.","Structure and absolute configuration of a high affinity 5-HT~3~ receptor antagonist, (5a<i>S</i>,9a<i>S</i>)-<i>N</i>-[(3<i>S</i>)-1-azabicyclo[2.2.2]octan-3-yl]-2-chloro-5a,6,7,8,9,9a-hexahydro-4-dibenzofurancarboxamide hydrochloride","Acta Crystallographica Section C","1993","49","8","1551","1554","10.1107/S0108270193000824","","","1.5418","CuKα","","","0.03","","","0.04","","","","","1.71","1.71","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001484","31.676","0.011","8.19","0.002","6.6242","0.0006","90","","90","","90","","1718.5","0.7","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C13 H20 Cl2 N4 Pt S -","- C13 H20 Cl2 N4 Pt S -","- C52 H80 Cl8 N16 Pt4 S4 -","4","1","HH1049","Arvanitis, G. M.; Berardini, M. E.; Parkinson, G. N.; Schneider, B. S.","Structure of a platinum(II) complex of levamisole","Acta Crystallographica Section C","1993","49","7","1246","1248","10.1107/S0108270193002471","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001541","9.775","0.002","30.857","0.01","9.698","0.002","90","","90","","90","","2925.2","1.3","128","5","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C21 Co6 O19 -","- C21 Co6 O19 -","- C84 Co24 O76 -","4","1","HL1020","Worth, G. H.; Robinson, B. H.; Simpson, J.","Redetermination of the structure of μ~6~-acetonato-1:2:3κ^3^<i>C</i>^1^;4:5:6κ^3^<i>C</i>^3^-bis[nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-tricobalt(3 <i>Co</i>‒<i>Co</i>)] at 128 K","Acta Crystallographica Section C","1993","49","7","1367","1369","10.1107/S0108270193000526","","","0.71069","Mo","","","0.0316","","","0.047","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001542","6.975","0.002","7.482","0.003","19.122","0.007","90","","90","","90","","997.9","0.6","294","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Cl N3 O3 Pt -","- C5 H11 Cl N3 O3 Pt -","- C20 H44 Cl4 N12 O12 Pt4 -","4","1","DU1027","Viossat, B.; Khodadad, P.; Rodier, N.","Diamminechloro(5-oxoprolinato)platine(II)","Acta Crystallographica Section C","1993","49","7","1370","1372","10.1107/S0108270193000046","","","0.7107","MoKᾱ","","","0.027","","","0.037","","","","","1.48","1.48","","","","","has coordinates","187340","2020-10-21","18:00:00",""
"2001544","7.9122","0.0008","13.788","0.002","19.15","0.004","90","","90","","90","","2089.1","0.6","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C21 H32 O6 -","- C21 H32 O6 -","- C84 H128 O24 -","4","1","NA1024","Puliti, R.; Fontana, A.; Cimino, G.; Mattia, C. A.; Mazzarella, L.","Structure of a keto derivative of 9,11-dihydrogracilin A","Acta Crystallographica Section C","1993","49","7","1373","1376","10.1107/S0108270193001003","","","1.54056","CuKα","","","0.05","","","0.049","","","","","0.22","0.22","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001553","6.057","0.002","8.968","0.002","29.354","0.005","90","","90","","90","","1594.5","0.7","300","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C19 H25 F O2 -","- C19 H25 F O2 -","- C76 H100 F4 O8 -","4","1","HH1019","Burns, J. H.; Hagaman, E. W.","Three monofluorinated small molecules: <i>ortho</i>-fluorophenylglycine, methyl 4-(fluorocarbonyl)benzoate and 16α-fluoro-α-estradiol 3-methyl ether","Acta Crystallographica Section C","1993","49","7","1393","1396","10.1107/S0108270193000605","","","0.71069","MoKα","","","0.033","","","0.043","","","","","1.36","1.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001566","10.882","0.004","12.127","0.004","12.986","0.004","90","","90","","90","","1713.7","1","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H15 Cl2 Sb -","- C18 H15 Cl2 Sb -","- C72 H60 Cl8 Sb4 -","4","1","AL1016","Begley, M. J.; Sowerby, D. B.","Structures of triphenylantimony(V) dibromide and dichloride","Acta Crystallographica Section C","1993","49","6","1044","1046","10.1107/S0108270192011958","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001590","14.317","0.002","12.02","0.002","6.49","0.001","90","","90","","90","","1116.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","cis,syn,cis-1-methoxy-tricyclo[6.3.0.0^2,6^]undecan-7-ol","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","KA1008","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Brosse, N.; Caubère, P.","Structures of some methylenecyclobutanols and transposed derivatives","Acta Crystallographica Section C","1993","49","6","1098","1103","10.1107/S0108270192012927","","","1.54178","X-rayCuKαmean","","","0.0412","","","0.0534","","","","","0.6603","0.6603","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001595","6.593","0.003","6.755","0.002","23.653","0.004","90","","90","","90","","1053.4","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C40 H64 N8 O8 -","4","1","MU1011","Verbruggen, M.; Lenstra, A. T. H.; Reyniers, F.; Borremans, F.","(3<i>R</i>,6<i>R</i>)-3,4-Dimethyl-1,4-diazabicyclo[4.4.0]decane-2,5-dione","Acta Crystallographica Section C","1993","49","6","1113","1116","10.1107/S010827019201059X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2001615","7.2425","0.0006","8.676","0.001","10.592","0.001","90","","90","","90","","665.56","0.11","297","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C4 H7 Na O7 -","- C4 H7 Na O7 -","- C16 H28 Na4 O28 -","4","1","HL1015","Bott, R. C.; Sagatys, D. S.; Lynch, D. E.; Smith, G.; Kennard, C. H. L.","Structure of sodium hydrogen (+)-tartrate monohydrate","Acta Crystallographica Section C","1993","49","6","1150","1152","10.1107/S0108270192012605","","","0.71073","MoKα","","","0.021","","","0.024","","","","","0.94","0.94","","","","","has coordinates","213984","2020-10-21","18:00:00",""
"2001635","7.736","0.002","10.941","0.002","26.445","0.005","90","","90","","90","","2238.3","0.8","178","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C27 H31 N O3 -","- C27 H31 N O3 -","- C108 H124 N4 O12 -","4","1","HA1020","Jones, P. G.; Döring, D.; Laue, T.; Hopf, H.","Structures of the 1:1 and 2:1 adducts of (+)-(<i>S</i>)-[2.2]paracyclophane-4-carboxylic acid and (‒)-ephedrine","Acta Crystallographica Section C","1993","49","6","1192","1195","10.1107/S0108270192013568","","","0.71069","MoKα","","","0.038","","","0.043","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001641","7.671","0.003","8.621","0.002","28.191","0.008","90","","90","","90","","1864.3","1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-ethoxycarbonyl-5-methyl-10-(2,4,6-trimethylphenyl)-1,2,9-triaza-8- oxabicyclo[5.3.0]-3,5,9-decatriene","","- C19 H23 N3 O3 -","- C19 H23 N3 O3 -","- C76 H92 N12 O12 -","4","1","NA1025","Beltrame, P.; Gelli, G.; Cadoni, E.; Carnasciali, M. M.; Pani, M.; Mugnoli, A.","Structure of a triazaoxabicyclodecatriene derivative","Acta Crystallographica Section C","1993","49","6","1203","1205","10.1107/S0108270192012940","","","0.7107","MoKα","","","0.0618","","","0.0841","","","","","1.667","1.667","","","","","has coordinates,has disorder","208466","2020-10-21","18:00:00",""
"2001643","9.045","0.003","9.67","0.003","14.807","0.004","90","","90","","90","","1295.1","0.7","153","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","VS1002","Huipe-Nava, E.; Igonin, V. A.; Lindeman, S. V.; Struchkov, Yu. T.; Mendoza, V.; Garcia G., E.; Guzman, J. A.","β-Homopipitzolone","Acta Crystallographica Section C","1993","49","6","1207","1209","10.1107/S0108270192013374","","","0.71073","MoKα","","","0.033","","","0.032","","","","","0.52","0.52","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001649","7.578","0.002","8.735","0.002","9.371","0.002","90","","90","","90","","620.3","0.3","296","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C4 H5 Br O4 -","- C4 H5 Br O4 -","- C16 H20 Br4 O16 -","4","1","BR1027","Britten, J. F.; Howard-Lock, H. E.; Leblanc, D.; Lock, C. J. L.","(<i>R</i>)-2-Bromo-1,4-butanedioic acid","Acta Crystallographica Section C","1993","49","6","1222","1224","10.1107/S0108270192013210","","","1.54178","CuKα","","","0.0424","","","0.0419","","","","","1.97","1.97","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001652","19.979","0.002","24.115","0.003","8.998","0.0014","90","","90","","90","","4335.2","1","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C39 H73 N O14 -","- C39 H73 N O14 -","- C156 H292 N4 O56 -","4","1","OH1013","Iwasaki, H.; Sugawara, Y.; Adachi, T.; Morimoto, S.; Watanabe, Y.","Structure of 6-<i>O</i>-methylerythromycin A (clarithromycin)","Acta Crystallographica Section C","1993","49","6","1227","1230","10.1107/S0108270193000186","","","0.71073","MoKα","","","0.045","","","0.053","","","","","0.7823","0.7823","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001655","9.145","0.001","16.756","0.002","18.201","0.002","90","","90","","90","","2789","0.5","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C30 H36 O7 -","- C30 H36 O7 -","- C120 H144 O28 -","4","1","ST1038","Abboud, K. A.; Jiang, S.; Enholm, E. J.","Structure of a coupled carbohydrate and terpene","Acta Crystallographica Section C","1993","49","6","1234","1237","10.1107/S0108270193000113","","","0.71073","MoKα","","","0.0527","","","0.0503","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001677","12.032","0.004","10.724","0.004","9.502","0.003","90","","90","","90","","1226.1","0.7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C11 H14 Cl N O3 -","- C11 H14 Cl N O3 -","- C44 H56 Cl4 N4 O12 -","4","1","MU1001","Hajjem, B.; Kallel, A.; Svoboda, I.; Baccar, B.","Structure of <i>N</i>-[(4-chlorophenyl)di(methoxy)methyl]acetamide","Acta Crystallographica Section C","1993","49","5","898","900","10.1107/S0108270192012046","","","0.71069","MO","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001678","8.959","0.001","14.137","0.001","13.934","0.001","90","","90","","90","","1764.8","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C21 H28 N2 -","- C21 H28 N2 -","- C84 H112 N8 -","4","1","HU1008","Katrusiak, A.","Structure of 15-phenyl-14-dehydrosparteine","Acta Crystallographica Section C","1993","49","5","900","902","10.1107/S0108270192012708","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001696","6.023","0.002","8.007","0.003","20.877","0.009","90","","90","","90","","1006.8","0.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C12 H9 N Te -","- C12 H9 N Te -","- C48 H36 N4 Te4 -","4","1","ST1023","Junk, T.; Irgolic, K. J.; Reibenspies, J. H.; Meyers, E. A.","Structure of phenotellurazine","Acta Crystallographica Section C","1993","49","5","938","940","10.1107/S0108270192011004","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001718","6.104","0.001","8.933","0.003","16.062","0.003","90","","90","","90","","875.8","0.4","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C6 H11 N O5 S -","- C6 H11 N O5 S -","- C24 H44 N4 O20 S4 -","4","1","HE1003","Portalone, G.; Cassetta, A.; Pagani Zecchini, G.; Torrini, I.","(3<i>R</i>,5<i>R</i>)-Tetrahydro-2<i>H</i>-1,4-thiazine-3,5-dicarboxylic acid monohydrate","Acta Crystallographica Section C","1993","49","5","976","978","10.1107/S0108270192011181","","","1.54184","Cu","","","0.0511","","","0.069","","","","","0.214","0.214","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001719","10.745","0.005","11.435","0.005","13.003","0.006","90","","90","","90","","1597.7","1.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","KA1013","Ribár, B.; Kapor, A.; Gašić, O.; Kanyó, I.; Engel, P.","Structure of sinoacutine","Acta Crystallographica Section C","1993","49","5","978","980","10.1107/S0108270192011417","","","0.7107","MoKα","","","0.057","","","","","","","","0.968","0.968","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001721","7.521","0.001","10.872","0.002","22.901","0.003","90","","90","","90","","1872.6","0.5","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","1","LI1028","Priya, V.; Shamala, N.; Viswamitra, M. A.; Ravindran, T.; Jeyaraman, R.","Structure of 2,4-bis(4-methoxyphenyl)-3-nitroso-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section C","1993","49","5","983","985","10.1107/S0108270192011375","","","1.5418","CuKα","","","0.059","","","0.05","","","","","1.87","1.87","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2001726","11.962","0.002","20.917","0.004","7.624","0.002","90","","90","","90","","1907.6","0.7","288","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H19 N3 O9 -","- C18 H19 N3 O9 -","- C72 H76 N12 O36 -","4","1","AS1024","Ogawa, T.; Matsumoto, K.; Yokoo, C.; Hatayama, K.; Kitamura, K.","Structure of methyl 2-(nitrooxy)ethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate","Acta Crystallographica Section C","1993","49","5","993","996","10.1107/S0108270192012447","","","1.5418","CuKα","","","0.031","","","0.052","","","","","2.55","2.55","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001746","5.769","0.003","8.793","0.003","15.695","0.006","90","","90","","90","","796.2","0.6","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2'-Thienyl)pyridine","","- C9 H7 N S -","- C9 H7 N S -","- C36 H28 N4 S4 -","4","1","ST1039","Ghosh, R.; Simonsen, S. H.","Structure of 2-(2'-thienyl)pyridine at 193 K","Acta Crystallographica Section C","1993","49","5","1031","1032","10.1107/S0108270192011867","","","0.71073","MoKα","","0.0381","0.0349","","0.0509","0.0499","","","","1.9195","1.9613","1.9613","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001784","7.407","0.002","14.442","0.003","17.696","0.003","90","","90","","90","","1893","0.7","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C21 H34 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","1","CD1002","Dias Rodrigues, A. M. G.; de Almeida Santos, R. H.; Lechat, J. R.","Structure of (4α)-13-hydroxykaur-16-en-18-oic acid (steviol) methanol solvate","Acta Crystallographica Section C","1993","49","4","729","731","10.1107/S0108270192009181","","","1.54056","Cu","","","","","","","","","","","","","","","","","has coordinates","199444","2020-10-21","18:00:00",""
"2001803","6.628","0.004","12.604","0.006","20.774","0.011","90","","90","","90","","1735.4","1.6","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C20 H20 O5 -","- C20 O5 -","- C80 O20 -","4","1","GR0196","Galinis, D. L.; Swenson, D. C.; Wiemer, D. F.","Structure of a 2'-oxo-8.1'-neolignan","Acta Crystallographica Section C","1993","49","4","770","772","10.1107/S0108270192009557","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001805","9.797","0.004","15.039","0.007","20.135","0.008","90","","90","","90","","2967","2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C31 H46 Cl2 O7 -","- C31 H46 Cl3 O7 -","- C124 H184 Cl12 O28 -","4","1","HH0595","Toscano, R. A.; Ortega, A.; Maldonado, E.; Gaviño, R.; Lozoya, X.; Tortoriello, J.","Structure of galphimine B","Acta Crystallographica Section C","1993","49","4","774","776","10.1107/S0108270192006644","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001822","8.125","0.009","12.677","0.01","7.172","0.009","90","","90","","90","","738.7","1.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","isopropylammonium monohydrogen-phosphite","","- C3 H12 N O3 P -","- H12 P8 -","- H48 P32 -","4","1","PA1023","Averbuch-Pouchot, M.-T.","Isopropylammonium dihydrogenmonophosphate and isopropylammonium monohydrogenphosphite","Acta Crystallographica Section C","1993","49","4","813","815","10.1107/S0108270192010898","","","0.5608","AgKα","","0.043","0.043","","0.045","0.045","","","","0.536","0.536","0.536","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001825","12.01","0.003","6.681","0.005","42.09","0.008","90","","90","","90","","3377","3","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C31 H42 O9 S2 -","- C31 H42 O9 S2 -","- C124 H168 O36 S8 -","4","1","PA1024","Hamzaoui, F.; Lamiot, J.; Baert, F.","X-ray structure of a new pyrethroid, RU 52259","Acta Crystallographica Section C","1993","49","4","818","820","10.1107/S010827019201134X","","","1.5419","CuKα","","","0.062","","","0.062","","","","","7.4","7.4","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2001828","6.23","","10.701","","15.55","","90","","90","","90","","1036.68","","293","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","PA1028","Coquerel, G.; Petit, M. N.; Robert, F.","Structure of (+)-(<i>S</i>)-5-phenyl-5-ethylhydantoin","Acta Crystallographica Section C","1993","49","4","824","825","10.1107/S0108270192011788","","","0.71069","MoKα","","","0.037","","","0.039","","","","","2.36","2.36","","","","","has coordinates","176340","2020-10-21","18:00:00",""
"2001859","31.201","0.012","13.789","0.006","11.62","0.005","90","","90","","90","","4999","4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C48 H74 N2 O9 Si2 -","- C48 H74 N2 O9 Si2 -","- C192 H296 N8 O36 Si8 -","4","1","PA1002","Ginderow, D.; Teutsch, G.; Mornon, J.-P.","Structure du 11,11'-bi[3-éthylènedioxy-17β-cyano-5-hydroxy-17α-triméthylsiloxy-19-nor-5α-androst-9(10)-ène] monohydrate","Acta Crystallographica Section C","1993","49","3","486","489","10.1107/S0108270192006796","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","189073","2020-10-21","18:00:00",""
"2001861","8.106","0.003","18.786","0.004","7.076","0.003","90","","90","","90","","1077.5","0.6","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C7 H14 B Cl F4 N2 -","- C7 H14 B Cl F4 N2 -","- C28 H56 B4 Cl4 F16 N8 -","4","1","AL1015","Banks, R. E.; Sharif, I.; Pritchard, R. G.","Structure of the new electrophilic fluorinating agent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) and two of its monoquaternary analogues","Acta Crystallographica Section C","1993","49","3","492","495","10.1107/S0108270192008588","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001864","7.181","0.001","13.919","0.001","14.547","0.001","90","","90","","90","","1454","0.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C12 H20 N4 O5 -","- C12 H20 N4 O5 -","- C48 H80 N16 O20 -","4","1","AL1013","Campbell, J. A.; Freer, A. A.; Robins, D. J.","Structure of <i>N</i>-acetyl-<small>L</small>-homocarnosine monohydrate","Acta Crystallographica Section C","1993","49","3","495","497","10.1107/S0108270192009119","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001870","7.135","0.003","17.639","0.004","21.454","0.007","90","","90","","90","","2700.1","1.6","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C31 H50 O2 -","- C31 H50 O2 -","- C124 H200 O8 -","4","1","CD1003","Tinto, W. F.; Blair, L. C.; Lough, A. J.; McLean, S.; Reynolds, W. F.","Determination of the stereochemistry of oxandran-3-one; a novel methyltriterpene from <i>Oxandra asbeckii</i> (Annonaceae)","Acta Crystallographica Section C","1993","49","3","511","514","10.1107/S010827019200800X","","","0.7093","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001885","14.145","0.007","16.482","0.008","17.589","0.008","90","","90","","90","","4101","3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C40 H60 N2 Ni S4 -","- C40 H60 N2 Ni S4 -","- C160 H240 N8 Ni4 S16 -","4","1","HH1015","Rheingold, A. L.; Beall, K. S.; Riggs, P. J.; Groh, S. E.","Bis(tetraethylammonium) nickel tetrakisthiophenolate: a new polymorph","Acta Crystallographica Section C","1993","49","3","542","543","10.1107/S0108270192007704","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001889","6.062","0.002","7.242","0.001","23.375","0.004","90","","90","","90","","1026.2","0.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","ST1002","King, Jnr, J. A.; Bryant, Jnr, G. L.","Structure of diphenyl carbonate","Acta Crystallographica Section C","1993","49","3","550","551","10.1107/S0108270192007571","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001897","12.104","0.003","26.712","0.005","7.138","0.001","90","","90","","90","","2307.9","0.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C100 H116 N4 O20 -","4","1","CR1009","Suh, I.-H.; Seo, B.-I.; Lewis, D. E.; Jensen, W. P.; Jacobson, R. A.","Structure of the <i>p</i>-nitrobenzoate ester of 3-<i>endo</i>-(<i>p</i>-methoxybenzyl)isoborneol","Acta Crystallographica Section C","1993","49","3","562","565","10.1107/S010827019200787X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001910","16.465","0.002","30.163","0.003","9.061","0.001","90","","90","","90","","4500","0.9","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C51 H48 N O8 P S -","- C51 H44 N O8 P S -","- C204 H176 N4 O32 P4 S4 -","4","1","AS1015","Hirayama, N.; Sugaya, T.; Tomioka, S.; Ohshima, E.; Obase, H.","(+)-2,2'-(1,1'-Binaphthyl)phosphate salt of methyl (11<i>R</i>)-11-{[2-(4-benzylpiperidino)ethyl]thio}-6,11-dihydrodibenz[<i>b</i>,<i>e</i>]oxepin-2-carboxylate","Acta Crystallographica Section C","1993","49","3","600","602","10.1107/S0108270192009090","","","1.54184","CuKα","","","0.06","","","0.085","","","","","2.4","2.4","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001912","8.988","0.002","27.953","0.003","5.52","0.002","90","","90","","90","","1386.9","0.6","297","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H13 N O2 -","- C18 H13 N O2 -","- C72 H52 N4 O8 -","4","1","AL1023","Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.","Structures of furo[2,3-<i>b</i>]indolizine derivatives","Acta Crystallographica Section C","1993","49","3","604","607","10.1107/S0108270192010205","","","0.71069","MoKα","","","0.04","","","0.046","","","","","1.47","1.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001922","9.202","0.001","10.716","0.002","22.111","0.003","90","","90","","90","","2180.3","0.6","295","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C19 H20 N2 O10 S -","- C19 H17 N2 O10 S -","- C76 H68 N8 O40 S4 -","4","1","PA1010","Tomas, A.; Dung, Nguyen-Huy; Viossat, B.; Esanu, A.; Rolland, A.","An original linkage between arabinose and a pyranopyrimidine derivative <i>via</i> a sulfur atom","Acta Crystallographica Section C","1993","49","3","626","628","10.1107/S0108270192010448","","","0.7107","MoKα","","","0.044","","","0.047","","","","","2","2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001923","7.0123","0.0005","7.5297","0.0009","29.094","0.002","90","","90","","90","","1536","1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1S ; S~s~)-1-hydroxy-3-methoxy-1- phenyl-2-p-tolylsulfinylpropene","(1S ; S~s~)-1-hydroxy-3-methoxy-1- phenyl-2-p-tolylsulfinylpropene","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C68 H72 O12 S4 -","4","1","PA1027","Retoux, R.; Guillot, C.; Maignan, C.","Structure determination of (1<i>S</i>;S~<i>s~</i>)-3-methoxy-1-phenyl-2-(<i>p</i>-tolylsulfinyl)-2-propen-1-ol (C~17~H~18~O~3~S)","Acta Crystallographica Section C","1993","49","3","629","630","10.1107/S0108270192011235","","","0.71069","MoKα","","","0.028","","","0.029","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2001928","8.734","0.001","12.821","0.002","7.775","0.001","90","","90","","90","","870.6","0.2","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C32 H56 N8 O8 -","4","1","VS0102","Streltsova, N. R.; Bel'sky, V. K.; Voloshin, Y. Z.","Structures of three alicyclic α-dioximes with a ring size of six to eight","Acta Crystallographica Section C","1993","49","3","635","639","10.1107/S0108270192011144","","","0.71069","MoKα","","","0.029","","","0.038","","","","","0.89","0.89","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001940","11.071","0.003","16.606","0.006","8.761","0.002","90","","90","","90","","1610.7","0.8","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C10 H20 Co N2 Na O11 -","- C10 H20 Co N2 Na O11 -","- C40 H80 Co4 N8 Na4 O44 -","4","1","AS1006","Yamasaki, Y.; Kurisaki, T.; Yamaguchi, T.; Wakita, H.","Determination of the absolute configuration of sodium (‒)~589~-bis(<i>N</i>-methyliminodiacetato)cobaltate(III) trihydate","Acta Crystallographica Section C","1993","49","2","229","231","10.1107/S0108270192006401","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","199703","2020-10-21","18:00:00",""
"2001947","8.029","0.001","8.224","0.001","37.261","0.006","90","","90","","90","","2460.4","0.6","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C27 H28 O12 -","- C27 H28 O12 -","- C108 H112 O48 -","4","1","SE1002","Schmidt-Bäse, K.; Noltemeyer, M.; Egert, E.; Eigelt, E.; Zeeck, A.","Structure of the anthracycline antibiotic aranciamycin","Acta Crystallographica Section C","1993","49","2","250","253","10.1107/S0108270192005766","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2001955","9.211","0.001","13.201","0.001","16.031","0.001","90","","90","","90","","1949.3","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O4 -","- C21 H31 O4 -","- C84 H124 O16 -","4","1","AL0521","Dastidar, P.; Joseph, T.; Madyastha, K. M.; Guru Row, T. N.","Structure of a steriod fungal metabolite","Acta Crystallographica Section C","1993","49","2","273","275","10.1107/S0108270192005134","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001956","6.025","0.001","15.99","0.005","17.921","0.002","90","","90","","90","","1726.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(N,N-dibenzylamino)phenylacetonitrile","","- C22 H21 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","KA1003","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Zouaoui, A.; Caubère, P.","Structure and conformation of 3-(dibenzylamino)phenylacetonitrile","Acta Crystallographica Section C","1993","49","2","278","282","10.1107/S0108270192007856","","","1.54178","X-rayCu-Kαmean","","","0.0332","","","0.0298","","","","","0.4815","0.4815","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001957","6.021","0.001","15.989","0.004","17.906","0.005","90","","90","","90","","1723.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(N,N-dibenzylamino)phenylacetonitrile","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","KA1003","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Zouaoui, A.; Caubère, P.","Structure and conformation of 3-(dibenzylamino)phenylacetonitrile","Acta Crystallographica Section C","1993","49","2","278","282","10.1107/S0108270192007856","","","0.71069","Mo-Kα","","","0.0257","","","0.0259","","","","","0.6665","0.6665","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001968","8.588","0.001","11.7","0.001","18.13","0.002","90","","90","","90","","1821.7","0.3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Cl N O -","- C21 H2 Cl N O -","- C84 H8 Cl4 N4 O4 -","4","1","BX0563","Platzbecker, R.; Will, G.; Hümmer, K.; Weckert, E.; Lauktien, G.; Frahm, A. W.","The absolute configuration of (+)-2-benzyl-2-[<i>N</i>-(α-phenylethyl)amino]cyclohexanone hydrochloride","Acta Crystallographica Section C","1993","49","2","307","310","10.1107/S0108270192008965","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001977","10.977","0.002","12.894","0.002","31.135","0.006","90","","90","","90","","4406.8","1.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O14 -","- C22 H25 O12.5 -","- C176 H200 O100 -","8","2","HA0108","Soriano-García, M.; Iribe, R. V.; Mendoza-Díaz, S.; del Rayo Camacho, M.; Mata, R.","Structure of 4-(3,4-dihydroxyphenyl)-5-(<i>O</i>-β-<small>D</small>-galactopyranosyl)-7-methoxycoumarin trihydrate","Acta Crystallographica Section C","1993","49","2","329","330","10.1107/S0108270192003974","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001984","13.633","0.003","9.102","0.002","10.153","0.002","90","","90","","90","","1259.9","0.5","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","AS0584","Okada, K.; Koyama, H.","Structure of the germacrane furanosesquiterpenoid linderane","Acta Crystallographica Section C","1993","49","2","341","343","10.1107/S010827019200595X","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2001996","10.059","0.007","10.226","0.007","29.416","0.015","90","","90","","90","","3026","3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","bis(π-allylhimachalène) α,α-dichlorodipalladium","","- C30 H46 Cl2 Pd2 -","- C33 H36 Cl2 Pd2 -","- C132 H144 Cl8 Pd8 -","4","1","PA1026","Chiaroni, A.; Riche, C.; El Firdoussi, L.; Benharref, A.; Karim, A.","Structure du bis(π-allylhimachalène)-α,α-dichlorodipalladium","Acta Crystallographica Section C","1993","49","2","365","368","10.1107/S0108270192010552","","","0.7107","MoKα","","","0.051","","","0.064","","","","","1.15","1.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002008","7.387","0.001","10.719","0.002","12.325","0.002","90","","90","","90","","975.9","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","CD1007","Boys, D.; Manríquez, V.; Cassels, B. K.","Structure of (<i>E</i>)-1-(4-methoxyphenyl)-2-nitropropene","Acta Crystallographica Section C","1993","49","2","387","388","10.1107/S0108270192009193","","","0.71073","MoKα","","","0.039","","","0.055","","","","","0.99","0.99","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002010","6.841","0.008","7.219","0.006","18.51","0.02","90","","90","","90","","914.1","1.6","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C32 H60 N4 O12 -","4","1","HL1013","Koh, L. L.; Lee, C.-K.; Sim, K. Y.; Zhu, J.","Structure of 1-deoxycastanospermine","Acta Crystallographica Section C","1993","49","2","391","392","10.1107/S0108270192009120","","","0.71069","MoKα","","","0.04","","","0.05","","","","","1.74","1.74","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002042","5.945","0.001","10.941","0.002","18.277","0.004","90","","90","","90","","1188.8","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 N4 O4 -","- C11 H10 N4 O4 -","- C44 H40 N16 O16 -","4","1","CR0389","Cheer, C. J.; Kavounis, C. A.; Bozopoulos, A. P.; Rentzeperis, P. J.; Theocharis, A. B.","Structure of 1-(4-nitrobenzoyloxy)-4,5-dimethyl-1,2,3-triazole","Acta Crystallographica Section C","1993","49","1","49","52","10.1107/S0108270192005195","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates,has disorder","208466","2020-10-21","18:00:00",""
"2002051","7.136","0.001","12.342","0.001","20.049","0.003","90","","90","","90","","1765.8","0.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","LI1003","Dastidar, P.; Joseph, T.; Madyastha, K. M.; Guru Row, T. N.","Structure of pregna-4,16-diene-7α,14α-diol-3,20-dione","Acta Crystallographica Section C","1993","49","1","62","64","10.1107/S0108270192004566","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2002066","7.383","0.001","13.134","0.005","14.51","","90","","90","","90","","1407","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","KA1001","Soriano-García, M.","Refinement of the structure of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate","Acta Crystallographica Section C","1993","49","1","96","97","10.1107/S0108270192004724","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002087","8.729","0.001","10.864","0.002","34.35","0.006","90","","90","","90","","3257.5","0.9","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C38 H37 Fe N P2 -","- C38 H37 Fe N P2 -","- C152 H148 Fe4 N4 P8 -","4","1","LI1012","Shawkataly, O. B.; Fun, H.-K.; Chinnakali, K.; Yip, B.-C.; Teoh, S.-G.; Ito, Y.; Sawamura, M.","Structure of 1-[(<i>R</i>)-1',2-bis(diphenylphosphino)ferrocenyl]-(<i>S</i>)-<i>N</i>,<i>N</i>-dimethylethylamine","Acta Crystallographica Section C","1993","49","1","139","141","10.1107/S010827019200790X","","","0.71069","MoKα","","","0.038","","","0.0501","","","","","0.89","0.89","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002093","10.1025","0.0005","14.513","0.001","21.032","0.002","90","","90","","90","","3083.7","0.4","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Al Cl9 Fe2 N6 -","- C12 H18 Al Cl9 Fe2 N6 -","- C48 H72 Al4 Cl36 Fe8 N24 -","4","1","DU1009","Gao, Y.; Guery, J.; Jacoboni, C.","FeCl~3~ behavior in acetonitrile: structures of [FeCl~2~(CH~3~CN)~4~][FeCl~4~] and [AlCl(CH~3~CN)~5~][FeCl~4~]~2~.CH~3~CN","Acta Crystallographica Section C","1993","49","1","147","151","10.1107/S0108270192009892","","","0.71073","MoKα","","","0.042","","","0.042","","","","","2.21","2.21","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002098","5.6878","0.0008","11.65","0.002","26.21","0.003","90","","90","","90","","1736.7","0.4","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C14 H25 N O4 S2 -","- C14 H25 N O4 S2 -","- C56 H100 N4 O16 S8 -","4","1","PA1011","Rodier, N.; Khodadad, P.; Postel, D.; Villa, P.; Ronco, G.; Julien, R.","Désoxy-l <i>N</i>,<i>N</i>-diméthyldithiocarbamoyl-1 di-<i>O</i>-isopropylidène-2,3:4,5 xylitol","Acta Crystallographica Section C","1993","49","1","159","161","10.1107/S0108270192008606","","","1.5418","CuKα","","","0.035","","","0.036","","","","","1.295","1.295","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002104","10.193","0.003","11.966","0.001","14.802","0.003","90","","90","","90","","1805.4","0.7","158","","158","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 3-Hydroxy-22-oxokopsan-1-carboxylate","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","1","CD1025","Watt, W.; Ghosh, R.; Seal, T.; Mukherjee, B.","Structure of kopsine: methyl 3-hydroxy-22-oxokopsan-1-carboxylate","Acta Crystallographica Section C","1993","49","1","171","173","10.1107/S0108270192010035","","","1.5418","CuKα","","0.047","0.045","","0.123","0.122","","","","4.8","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002113","19.361","0.004","13.942","0.003","9.054","0.003","90","","90","","90","","2444","1.1","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[4-(Dimethylamino)phenyl]imino]-3-oxo-N-phenylbutanamide N,N-dimethyl-4-nitroso-benzenamine","","- C26 H29 N5 O3 -","- C26 H44 N5 O3 -","- C104 H176 N20 O12 -","4","1","AB1020","Lewinski, K.; Nitek, W.; Milart, P.","Molecular complex of 2-[4-(dimethylamino)phenylimino]-3-oxo-<i>N</i>-phenylbutanamide and <i>N</i>,<i>N</i>-dimethyl-4-nitrosoaniline","Acta Crystallographica Section C","1993","49","1","188","190","10.1107/S0108270192010461","","","1.54051","CuKα","","","0.035","","","0.043","","","","","0.967","0.967","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002198","15.021","","8.564","","6.055","","90","","90","","90","","778.9","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Copper vanadium oxide (4/2.2/9.4)","","- Cu4 O9.38 V2.15 -","- Cu4 O9.38 V2.15 -","- Cu16 O37.52 V8.6 -","4","1","","Christian, H P; Mueller-Buschbaum, Hk","Ueber ein neues Kupfervanadat Cu4 V2.15 O9.38","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1975","30","","175","178","","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002485","9.422","0.0008","9.422","0.0008","9.422","0.0008","90","","90","","90","","836.4","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Strontium dialuminium pentaoxide dichloride","","- Al2 Cl2 O5 Sr3 -","- Al2 Cl2 O5 Sr3 -","- Al8 Cl8 O20 Sr12 -","4","1","","Leib, W; Mueller-Buschbaum, Hk","Sr3 Al2 O3 Cl2, ein Oxohalogenoaluminat mit Ba3 Fe2 O5 Cl2 - Struktur","Revue de Chimie Minerale","1986","23","","760","765","","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002532","5.8457","0.0023","7.5721","0.0047","10.0118","0.0097","90","","90","","90","","443.2","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Strontium thallium vanadate","","- O4 Sr Tl V -","- O4 Sr Tl V -","- O16 Sr4 Tl4 V4 -","4","1","","Boje, J; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba Tl V O4 und Sr Tl V O4","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","611","","137","140","10.1002/zaac.19926110523","","","","","","0.053","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002565","10.0438","0.0008","7.2713","0.0006","5.912","0.0007","90","","90","","90","","431.8","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Barium lanthanum gallate","","- Ba Ga La O4 -","- Ba Ga La O4 -","- Ba4 Ga4 La4 O16 -","4","1","","Rüter, I.; Müller-Buschbaum, Hk.","Ein Beitrag über BaLaGaO~4~ und BaNdGaO~4~: verwandte Verbindungenzum β-K~2~SO~4~-Typ sowie über SrLaGaO~4~ mit K~2~NiF~4~-Struktur","Zeitschrift für Anorganische und Allgemeine Chemie","1990","584","1","119","124","10.1002/zaac.19905840110","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","200134","2020-10-21","18:00:00",""
"2002566","9.9514","0.0004","7.1371","0.0005","5.8543","0.0007","90","","90","","90","","415.8","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Barium neodymium gallate","","- Ba Ga Nd O4 -","- Ba Ga Nd O4 -","- Ba4 Ga4 Nd4 O16 -","4","1","","Rüter, I.; Müller-Buschbaum, Hk.","Ein Beitrag über BaLaGaO~4~ und BaNdGaO~4~: verwandte Verbindungenzum β-K~2~SO~4~-Typ sowie über SrLaGaO~4~ mit K~2~NiF~4~-Struktur","Zeitschrift für Anorganische und Allgemeine Chemie","1990","584","1","119","124","10.1002/zaac.19905840110","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","200134","2020-10-21","18:00:00",""
"2002670","17.94698","0.009","5.092","0.003","10.685","0.005","90","","90","","90","","976.5","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Copper(I) copper zinc molybdat (1/1/1.75/3)","","- Cu2 Mo3 O12 Zn1.75 -","- Cu2 Mo3 O12 Zn1.75 -","- Cu8 Mo12 O48 Zn7 -","4","1","","Szillat, H; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur von (Cu, Zn)3.75 Mo3 O12","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1995","50","","247","251","","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002744","5.0952","0.0008","10.637","0.002","17.881","0.003","90","","90","","90","","969.1","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Copper iron molybdate (1.82/1.82/3)","","- Cu1.815 Fe1.815 Mo3 O12 -","- Cu1.815 Fe1.815 Mo3 O12 -","- Cu7.26 Fe7.26 Mo12 O48 -","4","1","","Sedello, O; Mueller-Buschbaum, Hk","Synthese und Kristallstruktur von (Cu, Fe)3,63 Mo3 O12. Ein Oxometallat mit eindimensional flaechenverknuepften Oktaederketten.","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1996","51","","90","94","","","","","","","0.121","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002826","7.2057","0.0013","9.9779","0.0011","19.61699","0.003","90","","90","","90","","1410.4","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dibarium tricadmium bis(vanadate) divanadate","","- Ba2 Cd3 O15 V4 -","- Ba2 Cd3 O15 V4 -","- Ba8 Cd12 O60 V16 -","4","1","","Mueller-Buschbaum, Hk; Mertens, B","Cadmium in tetragonal pyramidaler Koordination im Barium-Cadmium- Oxovanadat(V): Ba2 Cd3 (V O4)2 (V2 O7)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1997","623","","1061","1066","10.1002/zaac.19976230709","","","","","","0.0493","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002915","7.235","0.002","13.056","0.004","14.415","0.004","90","","90","","90","","1361.6","0.7","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Acetyl-L-tyrosine Ethyl Ester Monohydrate","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","AN0551","Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte","Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data","Acta Crystallographica Section B","1999","55","2","226","230","10.1107/S0108768198012099","","","0.71073","MoKα","","","0.0272","","","0.0202","","","","","0.65","0.65","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2002916","7.3827","0.0002","13.1421","0.0004","14.515","0.0004","90","","90","","90","","1408.31","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Acetyl-L-tyrosine Ethyl Ester Monohydrate","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","AN0551","Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte","Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data","Acta Crystallographica Section B","1999","55","2","226","230","10.1107/S0108768198012099","","","0.71073","MoKα","","0.0526","0.0382","","0.0997","0.0874","","","","1.103","1.084","1.084","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2002924","13.585","0.002","5.806","0.003","5.603","0.002","90","","90","","90","","441.9","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C5 H5 N O -","- C20 H20 N4 O4 -","- C20 H20 N4 O4 -","1","0.25","BK0048","Yang, H.W.; Craven, B.M.","Charge Density Study of 2-Pyridone","Acta Crystallographica Section B","1998","54","6","912","920","10.1107/S0108768198006545","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002941","4.6","0.003","10.041","0.001","24.835","0.0003","90","","90","","90","","1147.1","0.8","123","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","1","","Napper, Scott; Stuart, Allan L.; Kumar, Sashi V. P.; Gupta, V. Sagar; Delbaere, Louis T. J.","5-Ethyl-2'-deoxycytidine, C~11~H~17~N~3~O~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","96","98","10.1107/s0108270194005330","","","0.7093","MolybdenumKα","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2002966","4.547","0.002","5.947","0.003","14.731","0.009","90","","90","","90","","398.3","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-trifluoromethyl formamide","","- C2 H2 F3 N O -","- C2 H2 F3 N O -","- C8 H8 F12 N4 O4 -","4","1","CA0001","Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D.","Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide","Acta Crystallographica Section B","1999","55","1","70","77","10.1107/S0108768198006570","","","0.71068","MoKα","","0.123","0.0696","","0.2259","0.1708","","","","1.105","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2002968","5.668","0.002","9.266","0.003","8.626","0.002","90","","90","","90","","453","0.2","163","1","163","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2,2-trifluoroethyl isocyanide","","- C3 H2 F3 N -","- C3 H2 F3 N -","- C12 H8 F12 N4 -","4","1","CA0001","Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D.","Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide","Acta Crystallographica Section B","1999","55","1","70","77","10.1107/S0108768198006570","","","0.71068","MoKα","","0.0627","0.0329","","0.0976","0.0839","","","","1.008","1.044","1.044","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2002976","12.2739","0.001","19.454","0.002","20.6251","0.0013","90","","90","","90","","4924.8","0.7","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,4'-Sulfonyldiphenol-4,4'-trimethylenedipiperidine-water (2/2/1)","","- C25 H37 N2 O4.5 S -","- C25 H37 N2 O4.5 S -","- C200 H296 N16 O36 S8 -","8","2","CF0004","Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.","Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1)","Acta Crystallographica, Section B: Structural Science","1999","55","4","573","590","10.1107/S0108768199002645","","","0.7107","MoKα","","0.0769","0.0416","","","","0.1031","","","","","","1.031","","","","has coordinates","209626","2020-10-21","18:00:00",""
"2002981","7.301","0.001","7.658","0.002","13.855","0.003","90","","90","","90","","774.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R,R)-Tartaric Acid Mono (N-Methylamide) Monohydrate","(R,R)-Tartaric Acid Mono (N-Methylamide) Monohydrate","","- C5 H11 N O6 -","- C5 H11 N O6 -","- C20 H44 N4 O24 -","4","1","CF0006","Rychlewska, Urszula; Szarecka, Agnieszka; Rychlewski, Jacek; Motała, Rafał","A mediated hydrogen bond in an α-hydroxycarboxyl group: X-ray structure of (<i>R</i>,<i>R</i>)-<i>N</i>-methyltartramic acid monohydrate and an <i>ab initio</i> study of model systems","Acta Crystallographica Section B","1999","55","4","617","625","10.1107/S0108768199005091","","","0.71073","MoKα","","0.0587","0.031","","0.0839","0.0737","","","","1.065","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2002986","23.048","0.007","34.383","0.006","11.992","0.006","90","","90","","90","","9503","6","175","","175","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D20P","1:1 complex of (R)-2,3:4,5-bis[1,2-(3-phenylnaphtho)]-1,6,9,12,15,18-hexaoxacycloeicosa-2,4- diene with phenylglycinium methyl ester perchlorate","","- C51 H52 Cl N O13 -","- C51 H52 Cl N O13 -","- C408 H416 Cl8 N8 O104 -","8","2","FR0005","Cram, Donald J.; de Graaff, R. A. G.; Knobler, Carolyn B.; Lingenfelter, David S.; Maverick, Emily F.; Trueblood, Kenneth N.","Chiral recognition between host and guest: a binaphthyl-18-crown-6 host with <small>D</small>-phenylglycinium methyl ester perchlorate guest. A difficult structure solved with <i>CRUNCH</i>","Acta Crystallographica Section B","1999","55","3","432","440","10.1107/S0108768198013524","","","1.5418","CuKα","","0.0896","0.0793","","0.2247","0.2112","","","","1.003","1.01","1.01","","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2002993","5.1709","0.0001","14.6136","0.0002","22.423","0.0004","90","","90","","90","","1694.4","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-leucyl-L-valine 2-propanol (1:1)","","- C14 H30 N2 O4 -","- C14 H30 N2 O4 -","- C56 H120 N8 O16 -","4","1","HA0173","Görbitz, Carl Henrik; Torgersen, Eirin","Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine","Acta Crystallographica, Section B: Structural Science","1999","55","1","104","113","10.1107/S0108768198010192","","","0.71073","MoKα","","0.0796","0.0559","","0.1358","0.1225","","","","1.106","1.14","1.14","","","","","has coordinates,has disorder,has Fobs","208976","2020-10-21","18:00:00",""
"2002999","12.8417","0.0012","14.4195","0.0013","7.4622","0.0009","90","","90","","90","","1381.8","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","titanium(IV) oxide phosphate","Pentatitanium(IV)-tetroxide-tetrakis(phosphate)","","- O20 P4 Ti5 -","- O20 P4 Ti4.999 -","- O80 P16 Ti19.996 -","4","1","JZ0005","Glaum, Robert; Reinauer, Felix","Ideal and Real Structure of Ti~5~O~4~(PO~4~)~4~: X-ray and HRTEM Investigations","Acta Crystallographica Section B","1998","54","6","722","731","10.1107/S0108768198003590","","","0.71069","MoKα","","0.0569","0.0418","","0.143","0.1364","","","","1.112","1.213","1.213","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003004","5.312","0.001","6.5557","0.0008","42.196","0.008","90","","90","","90","","1469.5","0.8","295","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- O80 P4 W24 -","- O80 P4 W24 -","- O80 P4 W24 -","1","0.25","","Roussel, P.; Mather, G.; Domengès, B.; Groult, D.; Labbé, P.","Structural Investigation of P~4~W~24~O~80~: A New Monophosphate Tungsten Bronze","Acta Crystallographica, Section B: Structural Science","1998","54","4","365","375","10.1107/s0108768197013785","","","0.71073","MoKα","","","0.0284","","","0.0272","","","","","1.8","1.8","","","","","has coordinates","206175","2020-10-21","18:00:00",""
"2003048","10.798","0.003","30.042","0.003","9.407","0.003","90","","90","","90","","3051.6","1.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4,6-Triisopropyl-4'-(S)-phenylalaninocarbonylbenzophenone Methyl Ester","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C132 H156 N4 O16 -","4","1","OA0013","Hosomi, H.; Ito, Y.; Ohba, S.","Crystal-to-Crystal Diastereoselective Transformation of 2,4,6-Triisopropyl-4'-(<i>S</i>)-phenylalaninocarbonylbenzophenone Methyl Ester","Acta Crystallographica Section B","1998","54","6","907","911","10.1107/S0108768198005503","","","0.71073","MoKα","","","0.08","","","0.07","","","","","1.34","1.34","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003049","11.525","0.009","28.238","0.011","9.317","0.008","90","","90","","90","","3032","4","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-diisopropyl-1-{4'-(S)-phenylalaninocarbonylphenyl}-2,2-dimethyl- 1,2-dihydrobenzocyclobuten-1-ol Methyl Ester","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C132 H156 N4 O16 -","4","1","OA0013","Hosomi, H.; Ito, Y.; Ohba, S.","Crystal-to-Crystal Diastereoselective Transformation of 2,4,6-Triisopropyl-4'-(<i>S</i>)-phenylalaninocarbonylbenzophenone Methyl Ester","Acta Crystallographica Section B","1998","54","6","907","911","10.1107/S0108768198005503","","","0.71073","MoKα","","","0.077","","","0.066","","","","","1.31","1.31","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003072","13","0.004","29.1","0.004","11.6","0.004","90","","90","","90","","4388","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","geraniin","","","- C41 H42 O34 -","- C41 H42 O34 -","- C164 H168 O136 -","4","1","OH0063","Luger, Peter; Weber, Manuela; Kashino,Setsuo; Amakura, Yoshiaki; Yoshida, Takashi; Okuda, Takuo; Beurskens, Gezina; Dauter, Zbigniew","Structure of the Tannin Geraniin Based on Conventional X-ray Data at 295 K and on Synchrotron Data at 293 and 120 K","Acta Crystallographica Section B","1998","54","5","687","694","10.1107/S0108768198000081","","","0.86","synchrotron","","0.0614","0.0557","","0.1599","0.1535","","","","1.046","1.074","1.074","","","","","has coordinates","288306","2023-12-14","12:32:33",""
"2003073","12.96","0.002","29.11","0.002","11.51","0.002","90","","90","","90","","4342.3","1.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","geraniin","","","- C41 H42 O34 -","- C41 H42 O34 -","- C164 H168 O136 -","4","1","OH0063","Luger, Peter; Weber, Manuela; Kashino,Setsuo; Amakura, Yoshiaki; Yoshida, Takashi; Okuda, Takuo; Beurskens, Gezina; Dauter, Zbigniew","Structure of the Tannin Geraniin Based on Conventional X-ray Data at 295 K and on Synchrotron Data at 293 and 120 K","Acta Crystallographica Section B","1998","54","5","687","694","10.1107/S0108768198000081","","","0.928","synchrotron","","0.0439","0.0379","","0.143","0.0978","","","","1.071","1.032","1.032","","","","","has coordinates","288306","2023-12-14","12:32:43",""
"2003074","13.055","0.002","29.139","0.004","11.576","0.001","90","","90","","90","","4403.6","1","295","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 O34 -","- C41 H29 O34 -","- C164 H116 O136 -","4","1","OH0063","Luger, Peter; Weber, Manuela; Kashino,Setsuo; Amakura, Yoshiaki; Yoshida, Takashi; Okuda, Takuo; Beurskens, Gezina; Dauter, Zbigniew","Structure of the Tannin Geraniin Based on Conventional X-ray Data at 295 K and on Synchrotron Data at 293 and 120 K","Acta Crystallographica Section B","1998","54","5","687","694","10.1107/S0108768198000081","","","1.5418","CuKα","","","0.046","","","0.064","","","","","1.25","1.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003178","8.5143","0.0007","11.8171","0.0006","14.752","0.0009","90","","90","","90","","1484.3","0.2","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","Gosselin, P.; Bonfand, E.; Maignan, C.; Retoux, R.","The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,R~s~)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","94","96","10.1107/S0108270194007304","","","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003179","5.607","0.002","10.954","0.003","27.452","0.015","90","","90","","90","","1686.1","1.1","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Chiaroni, Angèle; Deyine, Abdallah; Griffard-Brunet, Dominique; Langlois, Nicole; Riche, Claude","(3aS,3bR,6R,7aR)-2-Benzyl-1,2,3a,3b,4,7a-hexahydro-6-phenyl-3,5-dioxa- 2,6a-diazacyclopenta[a]pentalen-7-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","91","93","10.1107/S0108270194007316","","","1.5418","CuKα","","","0.037","","","0.052","","","","","1.04","1.04","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003181","16.492","0.004","9.483","0.003","7.025","0.002","90","0.02","90","0.02","90","0.02","1098.7","0.5","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Luger, Peter; Weber, Manuela; Dung, Nguyen Xuan; Ky, Pham Thanh; Long, Phan Ke","Securinine, an Alkaloid from Fluggea virosa","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","1","127","129","10.1107/S0108270194007857","","","1.5418","CuKα","","","0.036","","0.029","0.026","","","","1.604","1.717","1.717","","","","","has coordinates","200786","2020-10-21","18:00:00",""
"2003184","9.325","0.001","11.474","0.002","17.418","0.003","90","","90","","90","","1863.6","0.5","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Lewinski, Krzysztof; Nitek, Wojciech; Oleksyn, Barbara J.; Stec, Boguslaw","Quitenine Ethyl Ester","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","282","285","10.1107/S0108270194010243","","","1.54178","CuKα","","","0.0335","","0.0946","0.0914","","","","1.029","1.045","1.045","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003187","5.5005","0.0004","9.429","0.001","20.712","0.002","90","","90","","90","","1074.2","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N3 O3 -","- C8 H15 N3 O3 -","- C32 H60 N12 O12 -","4","1","AS1117","Puliti, Raffaella; Mattia, Carlo Andrea","N-Acetylglycyl-L-alaninamide and N-Acetyl-L-alanyl-L-alaninamide","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","336","339","10.1107/s0108270194008577","","","1.54056","CuKα","","","0.036","","","0.04","","","","","0.97","0.97","","","","","has coordinates","218377","2020-10-21","18:00:00",""
"2003188","10.3118","0.0007","11.5912","0.0006","7.1818","0.0006","90","","90","","90","","858.41","0.08","293","","20","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl N O3 -","- C6 H11 Cl N O3 -","- C24 H44 Cl4 N4 O12 -","4","1","AS1139","Jones, Graham P.; Paleg, Leslie G.; Waisel, Yoav; Solomon, Aaron; Beer, Sven; Tiekink, Edward R. T.","trans-3-Hydroxy-N-methyl-L-proline Hydrochloride","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","287","289","10.1107/S0108270194009431","","","1.5418","CuKα","","","0.05","","","0.059","","","","","4.25","4.25","","","","","has coordinates","209634","2020-10-21","18:00:00",""
"2003208","9.958","0.003","9.961","0.004","12.978","0.006","90","0.03","90","0.03","90","0.03","1287.3","0.9","294","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","","Mukherjee, Monika; Mukherjee, Alok K.; Das, Sarbani; Mukherjee, Debabrata; Helliwell, Madeleine","(±)-7,7,9β-Trimethyl-6(αH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one","Acta Crystallographica, Section C: Crystal Structure Communications","1995","51","2","280","282","10.1107/S0108270194008632","","","1.5418","CuKα","","","0.0502","","0.1312","0.1217","","","","0.874","0.841","0.841","","","","","has coordinates","200787","2020-10-21","18:00:00",""
"2003242","10.677","0.007","16.763","0.008","10.015","0.005","90","","90","","90","","1792.5","1.7","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 O6 P -","- C16 H27 O6 P -","- C64 H108 O24 P4 -","4","1","BK1079","Capron, M. A.; An, J.; Swenson, D. C.; Wiemer, D. F.","Cyclic (1<i>R</i>,3<i>R</i>)-1,3-Dimethyltrimethylene [(5<i>R</i>)-2-Hydroxy-5-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-1-cyclohexen-1-yl]phosphonate, a Stable Enol","Acta Crystallographica Section C","1995","51","3","479","482","10.1107/S0108270194010164","","","0.71073","MoKα","","","0.037","","","0.048","","","","","1.09","1.09","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003255","11.408","0.002","11.495","0.002","17.672","0.004","90","","90","","90","","2317.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(Trimethylsilyl)methyl Tetracylo[5.4.0.0^6,10^.0^9,11^] Undecan-4-yl 3,5-Dinitrobenzoate","","- C22 H28 N2 O6 Si -","- C22 H28 N2 O6 Si -","- C88 H112 N8 O24 Si4 -","4","1","FG1035","Lautens, M.; Lough, A. J.; Tam, W.","4-[(Trimethylsilyl)methyl]tetracyclo[5.4.0.0^6,10^.0^9,11^]undec-3-yl 3,5-Dinitrobenzoate","Acta Crystallographica Section C","1995","51","3","471","473","10.1107/S0108270194010966","","","0.71073","MoKα","","0.0988","0.0483","","0.1279","0.1092","","","","1.024","1.113","1.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003285","5.593","0.001","12.227","0.002","15.705","0.007","90","","90","","90","","1074","0.5","298","","","","","","","","","","Chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O4 S -","- C9 H12 N2 O4 S2 -","- C36 H48 N8 O16 S8 -","4","1","NA1093","Ayala, D. J.; Bombieri, G.; Perosino, T.; Stradi, R.","3-(5-Oxo-<small>L</small>-prolyl)-<small>L</small>-thiazolidine-4-carboxylic Acid","Acta Crystallographica Section C","1995","51","3","473","475","10.1107/S0108270194008280","","","0.71069","MoKα","","","0.0367","","","0.0409","","","","","0.85","0.85","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003297","7.5252","0.0005","9.398","0.001","17.29","0.0007","90","","90","","90","","1222.78","0.16","293","2","293","2","","","","","","","slow evaporation of chloroform solution of (2)","4","P 21 21 21","P 2ac 2ab","19","","1-Methoxy-5,5,6,6-tetracyanobicyclo[2.2.2]oct-3-ene","","- C13 H10 N4 O -","- C13 H10 N4 O -","- C52 H40 N16 O4 -","4","1","SE1061","Schollmeyer, D.; Keilhofer, D.; Pindur, U.","Diels‒Alder Products of the Alkaloid ({-})-Thebaine with α-Chloroacrylnitrile and 1-Methoxy-1,3-cyclohexadiene with Tetracyanoethene","Acta Crystallographica Section C","1995","51","3","502","505","10.1107/S0108270194007900","","","1.5418","CuKα","","0.0535","0.0527","","0.1421","0.1407","","","","1.027","1.031","1.031","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003301","9.24","0.002","10.761","0.002","15.217","0.003","90","","90","","90","","1513.1","0.5","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","VJ1007","Ravikumar, K.; Chandra Mohan, K.; Shekharam, T.; Yadav, J. S.","The Diels‒Alder Reaction Product of β-Ionone and Maleic Anhydride","Acta Crystallographica Section C","1995","51","3","449","451","10.1107/S010827019401067X","","","0.71073","MoKα","","","0.039","","","0.045","","","","","0.884","0.884","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003312","11.844","0.001","12.871","0.001","15.237","0.002","90","","90","","90","","2322.8","0.4","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dibromo[bis(o-N,N-dimethylaminomethylphenyl)methylsilanol]cobalt(II)","","- C19 H28 Br2 Co N2 O Si -","- C19 H28 Br2 Co N2 O Si -","- C76 H112 Br8 Co4 N8 O4 Si4 -","4","1","BK1030","Baggio, R. F.; Garland, M. T.; Manzur, J.; Spodine, E.","[Bis(<i>o</i>-dimethylaminomethylphenyl)methylsilanol-<i>N</i>,<i>O</i>]dibromocobalt(II)","Acta Crystallographica Section C","1995","51","4","602","604","10.1107/S0108270194009200","","","0.71073","MoKα","","0.056","0.039","","0.055","0.049","","","","","0.83","0.83","","","","","has coordinates","194583","2020-10-21","18:00:00",""
"2003313","11.832","0.003","14.05","0.003","18.049","0.003","90","","90","","90","","3000.5","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triethylammonium bis(mercaptobenzoato)(cis-dioxomolibdato(VI))","","- C26 H40 Mo N2 O6 S2 -","- C26 H40 Mo N2 O6 S2 -","- C104 H160 Mo4 N8 O24 S8 -","4","1","BK1032","Li-Kao, J.; González, O.; Baggio, R. F.; Garland, M. T.; Carrillo, D.","Bis(triethylammonium) Bis(2-mercaptobenzoato-<i>O</i>,<i>S</i>)dioxomolybdate(VI)","Acta Crystallographica Section C","1995","51","4","575","578","10.1107/S0108270194011236","","","0.71073","MoKα","","0.0441","0.033","","0.0879","0.08","","","","1.044","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003314","7.36","0.002","9.793","0.002","19.369","0.002","90","","90","","90","","1396","0.5","296","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H18 Cl2 O2 Pt S2 -","- C8 H18 Cl2 O2 Pt S2 -","- C32 H72 Cl8 O8 Pt4 S8 -","4","1","BK1039","De Azevedo, Jnr, W. F.; Mascarenhas, Y. P.; De Sousa, G. F.; Filgueiras, C. A. L.","<i>cis</i>-[1,2-Bis(propylsulfinyl)ethane-<i>S</i>,<i>S</i>']dichloroplatinum(II)","Acta Crystallographica Section C","1995","51","4","619","621","10.1107/S0108270194009868","","","0.71073","MoKα","","","0.047","","","0.052","","","","","1.43","1.43","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003340","8.976","0.001","10.8","0.001","27.401","0.003","90","","90","","90","","2656.3","0.5","293","","","","","","","","","","Recrystallized from methanol","3","P 21 21 21","P 2ac 2ab","","","","","- C28 H36 O8 -","- C28 H36 O8 -","- C112 H144 O32 -","4","1","GR0163","Wang, Q.; Tu, Y.","A New Bioactive β-Dihydroagarofuran Sesquiterpenoid","Acta Crystallographica Section C","1995","51","4","732","734","10.1107/S0108270193005219","","","0.7093","MoKα","","","0.037","","","0.035","","","","","0.241","0.241","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003348","11.949","0.001","13.284","0.001","11.504","0.001","90","","90","","90","","1826","0.3","296","","","","","","","","","","acetone recrystallization","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","HR1007","Lisgarten, D. R.; Palmer, R. A.; Maes, D.; Lisgarten, J.; Wyns, L.","Two Steroidal Epimers, (5β,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5β-Epimer) and (5α,17α)-Pregna-20-yno[3,4-<i>c</i>][1,2,5]oxadiazol-17-ol (the 5α-Epimer)","Acta Crystallographica Section C","1995","51","4","666","670","10.1107/S0108270194007237","","","1.5418","CuKα","","","0.042","","","0.05","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003355","8.563","0.003","21.871","0.001","27.728","0.011","90","","90","","90","","5193","3","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrakis(acetonitrile)copper(I) hexafluorophosphate(V) Acetonitrile solvate (1/1)","","- C10 H15 Cu F6 N5 P -","- C10 H15 Cu F6 N5 P -","- C120 H180 Cu12 F72 N60 P12 -","12","3","HU1132","Black, J. R.; Levason, W.; Webster, M.","Tetrakis(acetonitrile-<i>N</i>)copper(I) Hexafluorophosphate(V) Acetonitrile Solvate","Acta Crystallographica Section C","1995","51","4","623","625","10.1107/S0108270194012527","","","0.71069","MoKα","","","0.0539","","","0.0678","","","","","1.09","1.09","","","","","has coordinates","288350","2023-12-15","17:45:49",""
"2003363","8.236","0.003","14.967","0.004","24.032","0.005","90","","90","","90","","2962.4","1.5","293","","293","","","","","","","","recrystallized from a mixture of chloroform and ethanol","4","P 21 21 21","P 2ac 2ab","19","","P-chlorophenyl-3,4,6-tri-O-benzyl-2-deoxy-2-methylene-β-D-glucopyranoside","","- C34 H33 Cl O5 -","- C34 H33 Cl O5 -","- C136 H132 Cl4 O20 -","4","1","LI1117","Kabaleeswaran, V.; Rajan, S. S.; Booma, C.; Balasubramanian, K. K.","<i>p</i>-Chlorophenyl 3,4,6-Tri-<i>O</i>-benzyl-2-deoxy-2-methylene-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1995","51","4","758","759","10.1107/S0108270194010711","","","1.5418","CuKα","","0.071","0.042","","0.085","0.047","","","","0.65","0.62","0.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003375","7.0278","0.0003","10.855","0.0005","15.6339","0.0007","90","","90","","90","","1192.66","0.09","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 Cl3 N2 O3 -","- C9 H7 Cl3 N2 O3 -","- C36 H28 Cl12 N8 O12 -","4","1","MU1141","Clegg, W.; Pogue, H. J.; Lowe, M. P.; Butterfield, I. M.; Jackson, R. F. W.","<i>p</i>-Nitrobenzyl Trichloroacetimidate","Acta Crystallographica Section C","1995","51","4","741","743","10.1107/S0108270194010838","","","0.71073","MoKα","","0.0251","0.0228","","0.0623","0.0597","","","","1.041","1.031","1.031","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003380","29.835","0.005","19.784","0.002","9.913","0.001","90","","90","","90","","5851.2","1.3","293","","","","","","","","","","Slow evaporation from benzene and acetonitrile solution","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H78 N10 O11 -","- C52 H71 N10 O11 -","- C208 H284 N40 O44 -","4","1","NA1092","Saviano, M.; Rossi, F.; Filizola, M.; Di Blasio, B.; Pedone, C.","[Aib^5,6^-<small>D</small>-Ala^8^]-Cyclolinopeptide A, Grown from a Benzene/Acetonitrile Mixture","Acta Crystallographica Section C","1995","51","4","663","666","10.1107/S0108270194006864","","","1.54056","CuKα","","","0.068","","","0.071","","","","","2.18","2.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003385","5.518","0.001","13.059","0.005","18.246","0.004","90","","90","","90","","1314.8","0.6","298","","","","","","","","","","from methanolic solution","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O4 -","- C13 H20 N2 O4 -","- C52 H80 N8 O16 -","4","1","NA1115","Bombieri, G.; Del Pra, A.; Ayala, D. J.; Stradi, R.; Mantovanini, M.","(<i>S</i>)-({-})-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol <i>N</i>,<i>N</i>'-Dioxide","Acta Crystallographica Section C","1995","51","4","642","644","10.1107/S0108270194012278","","","0.71069","MoKα","","","0.03","","","0.033","","","","","0.59","0.59","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003395","31.1","0.01","9.452","0.005","9.507","0.004","90","","90","","90","","2795","2","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 O10 -","- C28 H30 O10 -","- C112 H120 O40 -","4","1","PA1115","Cousson, A.; Dancy, I.; Beau, J.-M.","(1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one","Acta Crystallographica Section C","1995","51","4","718","721","10.1107/S0108270194008048","","","1.5418","CuKα","","","0.065","","","0.078","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003399","19.051","0.003","26.274","0.004","9.487","0.003","90","","90","","90","","4748.7","1.8","173","1","173","1","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","2,2',3,3'-Tetra-O-benzoyl-6,6'-dideoxy-4,4'-di-O-mesyl- 6,6'-dithiocyanato-α,α-trehalose","2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-α-D-glucoopyranosyl 2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-α-D-glucoopyranoside","","- C44 H40 N2 O17 S4 -","- C44 H40 N2 O17 S4 -","- C176 H160 N8 O68 S16 -","4","1","PA1147","Linden, A.; Lee, C. K.","2,2',3,3'-Tetra-<i>O</i>-benzoyl-6,6'-dideoxy-4,4'-di-<i>O</i>-mesyl-6,6'-dithiocyanato-α,α-trehalose","Acta Crystallographica Section C","1995","51","4","751","754","10.1107/S0108270194011595","","","0.71069","MoKα","","0.0679","0.0373","","0.0423","0.0381","","","","","1.376","1.376","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003415","13.6382","0.0005","13.9275","0.0008","7.7297","0.0004","90","","90","","90","","1468.23","0.13","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N-diisopropyl(o-methylphenyl)glyoxylamide","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","AS1136","Hashizume, D.; Kogo, H.; Sekine, A.; Ohashi, Y.; Miyamoto, H.; Toda, F.","Stereochemistry of Asymmetric β-Lactam Formation Involving Achiral Glyoxylamide Derivatives","Acta Crystallographica Section C","1995","51","5","929","933","10.1107/S0108270194012412","","","1.54178","CuKα","","","0.055","","","0.067","","","","","8.69","8.69","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003421","8.649","0.001","10.794","0.001","15.936","0.002","90","","90","","90","","1487.7","0.3","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","1","BK1064","Abboud, K. A.; Malvestiti, I.; Boldea, L.; Walker, M. A.; Battiste, M. A.","An Intramolecular Diels‒Alder Adduct in the Hydroxy-β-ionone Series","Acta Crystallographica Section C","1995","51","5","995","997","10.1107/S0108270194011972","","","0.71073","MoKα","","","0.0516","","","0.053","","","","","1.62","1.62","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003422","7.265","0.002","7.557","0.002","21.91","0.007","90","","90","","90","","1202.9","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","bis(imidazol-2-yl)aminomethane tris(hydrochloride)","","- C7 H12 Cl3 N5 -","- C7 H12 Cl3 N5 -","- C28 H48 Cl12 N20 -","4","1","BK1097","Mendoza-Díaz, G.; Koolhaas, G. J. A. A.; Driessen, W. L.; Reedijk, J.","Bis(2-imidazolyl)aminomethane Tris(hydrochloride)","Acta Crystallographica Section C","1995","51","5","918","920","10.1107/S010827019401320X","","","0.71073","MoKα","","0.076","0.041","","0.057","0.052","","","","1.611","1.826","1.826","","","","","has coordinates","190396","2020-10-21","18:00:00",""
"2003425","13.755","0.002","24.817","0.003","9.101","0.002","90","","90","","90","","3106.7","0.9","294","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","cholesteryl-4-vinylbenzoate","","- C36 H52 O2 -","- C36 H52 O2 -","- C144 H208 O8 -","4","1","CR1099","Socci, E. P.; Farmer, B. L.; Chabinyc, M. L.; Fratini, A. V.; Bunning, T. J.; Adams, W. W.","Cholesteryl 4-Vinylbenzoate","Acta Crystallographica Section C","1995","51","5","888","891","10.1107/S0108270194008541","","","0.71073","Mo_Kα","","","0.071","","","0.064","","","","","1.912","1.912","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003450","11.071","0.003","18.283","0.003","6.865","0.004","90","","90","","90","","1389.6","0.9","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α,α-galactotrehalose","α-D-galactopyranosyl α-D-galactopyranoside","","- C12 H22 O11 -","- C12 H22 O11 -","- C48 H88 O44 -","4","1","FG1050","Linden, A.; Lee, C. K.","α,α-<i>galacto</i>-Trehalose","Acta Crystallographica Section C","1995","51","5","1012","1016","10.1107/S0108270194014204","","","0.71069","MoKα","","0.0364","0.0315","","0.0311","0.0306","","","","","1.949","1.949","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2003479","7.349","0.003","7.535","0.003","14.539","0.005","90","","90","","90","","805.1","0.5","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","potassium D-3-phosphoglycerate","","- C3 H6 K O7 P -","- C3 H6 K O7 P -","- C12 H24 K4 O28 P4 -","4","1","MU1133","Lis, T.; Jerzykiewicz, L. B.","Potassium <small>D</small>-3-Phosphoglycerate and Cyclohexylammonium <small>D</small>-3-Phosphoglycerate Hydrate","Acta Crystallographica Section C","1995","51","5","1001","1005","10.1107/S0108270194010474","","","0.71069","MoKα","","0.0313","0.0264","","0.0726","0.0703","","","","1.123","1.131","1.131","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003506","7.709","0.001","18.293","0.002","21.082","0.003","90","","90","","90","","2973","0.7","293","","","","","","","","","","Kristallisation (CH~3~OH)","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 O7 -","- C32 H46 O7 -","- C128 H184 O28 -","4","1","SE1056","Gzella, A.; Wrzeciono, U.; Zaprutko, L.","Triterpenoide. VII. Über die Struktur von neuen 2-oxa- und 1,2-seco-Derivaten des Olenanolsäuremethylesters","Acta Crystallographica Section C","1995","51","5","908","912","10.1107/S010827019400973X","","","1.54178","CuKα","","","0.05","","","0.046","","","","","3.8027","3.8027","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003512","10.731","0.006","18.016","0.006","8.347","0.005","90","","90","","90","","1613.7","1.4","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","AB1186","Urtiaga, M. K.; Arriortua, M. I.; Badía, D.; Domínguez, E.; González-Cameno, A. M.; Ochando, L.; Reventos, M.; Debaerdemaeker, T.","The Effect of Substituents on the Crystal Structure of β-Amino Alcohols. 2-[(3,4-Dimethoxybenzyl)(methyl)amino]-2-phenylethanol","Acta Crystallographica Section C","1995","51","6","1175","1177","10.1107/S0108270194013855","","","0.71073","MoKα","","","0.052","","","0.15","","","","","0.998","0.998","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003526","7.123","0.002","11.237","0.002","14.989","0.001","90","","90","","90","","1199.7","0.4","296","","","","","","","","","","Prepared by authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","BK1049","Brouillette, W. J.; Gray, G. M.; Saeed, A.","Conformationally Defined Cyclohexyl Carnitine Analogs","Acta Crystallographica Section C","1995","51","6","1160","1164","10.1107/S0108270194010322","","","1.5418","CuKα","","","0.03","","","0.041","","","","","1.92","1.92","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003529","7.146","0.001","8.635","0.003","25.5","0.004","90","","90","","90","","1573.5","0.6","293","2","293","2","","","","","","","crystallized from ethyl alcohol","3","P 21 21 21","P 2ac 2ab","19","","2-cyano-2-methylsparteine","","- C17 H27 N3 -","- C17 H27 N3 -","- C68 H108 N12 -","4","1","BK1085","Wolska, I.; Borowiak, T.","2-Cyano-2-methylsparteine","Acta Crystallographica Section C","1995","51","6","1158","1160","10.1107/S0108270194013740","","","0.71073","MoKα","","0.0739","0.0311","","0.1161","0.0913","","","","1.088","1.197","1.197","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003546","10.434","0.002","13.699","0.002","25.148","0.004","90","","90","","90","","3594.5","1","293","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 B F3 Mo N7 O3 S -","- C32 H39 B F3 Mo N7 O3 S -","- C128 H156 B4 F12 Mo4 N28 O12 S4 -","4","1","FG1016","Vaughan, W. M.; Bonella, J. M.; Abboud, K. A.","A Chelate-Stabilized Molybdenum‒Imido‒Alkylidene Complex, [TpMo{CHC(Me)~2~Ph}(NAr)(OTf)]","Acta Crystallographica Section C","1995","51","6","1075","1078","10.1107/S010827019401231X","","","0.71073","MoKα","","","0.053","","","0.0546","","","","","1.48","1.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003576","10.957","0.001","12.836","0.002","16.466","0.003","90","","90","","90","","2315.8","0.6","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O12 -","- C23 H33 N O12 -","- C92 H132 N4 O48 -","4","1","KA1049","Urbanczyk-Lipkowska, Z.","A Morphine Metabolite: ({-})-Morphine-3-<i>O</i>-β-<small>D</small>-glucuronide Trihydrate (M3G.3H~2~O)","Acta Crystallographica Section C","1995","51","6","1184","1187","10.1107/S010827019301265X","","","0.71069","MoKα","","","0.046","","","0.039","","","","","1.348","1.348","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003579","6.059","0.001","11.598","0.002","17.253","0.004","90","","90","","90","","1212.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitrobenzaldehydephenylhydrazone","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C52 H44 N12 O8 -","4","1","LI1127","Velavan, R.; Sivakumar, K.; Anbu, M.","(<i>E</i>)-4-Nitrobenzaldehyde Phenylhydrazone","Acta Crystallographica Section C","1995","51","6","1227","1229","10.1107/S0108270194012606","","","1.5418","CuKα","","0.0398","0.0368","","0.1097","0.1074","","","","1.058","1.099","1.099","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003588","12.6087","0.0025","15.2262","0.0192","18.5205","0.007","90","","90","","90","","3556","5","250","","250","","","","","","","","synthetic","7","P 21 21 21","P 2ac 2ab","19","","(-)-{2,2-Bis-[(r)-4'-(benzyl)-oxazolin-2'-yl]propan}-{π-1,3-diphenylallyl}- palladium(II)-hexafluorophosphat","","- C38 H39 F6 N2 O2 P Pd -","- C38 H39 F6 N2 O2 P Pd -","- C152 H156 F24 N8 O8 P4 Pd4 -","4","1","NA1124","Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A.","(Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands","Acta Crystallographica Section C","1995","51","6","1109","1112","10.1107/S0108270194013119","","","0.71069","MoKα","","","0.0309","","","0.0183","","","","","1.1326","1.1326","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003589","7.256","0.001","9.3991","0.0009","30.265","0.003","90","","90","","90","","2064.1","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","1","NA1126","Puliti, R.; De Rosa, S.; Mattia, C. A.","Crystal Studies of Avarol Derivatives. 5'-Acetylavarol from <i>Dysidea avara</i>","Acta Crystallographica Section C","1995","51","6","1195","1198","10.1107/S0108270194012722","","","1.54056","CuKα","","","0.0441","","","0.0438","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003609","9.68","0.005","12.846","0.005","16.944","0.006","90","","90","","90","","2107","1.6","293","","","","","","","","","","synthesized in our own laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Cl2 O Ti -","- C23 H26 Cl2 O Ti -","- C92 H104 Cl8 O4 Ti4 -","4","1","TA1007","Tian, J.; Hu, N.-H.; Shen, Q.; Huang, B.-T.","Dichloro(η^5^-cyclopentadienyl){[1-(4-methoxyphenyl)cyclohexyl]-η^5^-cyclopentadienyl}titanium(IV)","Acta Crystallographica Section C","1995","51","6","1065","1067","10.1107/S0108270194013910","","","0.71069","MoKα","","","0.066","","","0.086","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003644","7.479","0.002","12.221","0.005","19.306","0.006","90","","90","","90","","1764.6","1","295","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 F2 N2 O5 P S -","- C10 H25 F2 N2 O5 P S -","- C40 H100 F8 N8 O20 P4 S4 -","4","1","CR1095","Baenziger, N. C.; Burton, D. J.; Modak, A. S.","Triethylammonium Isopropyl [(Aminosulfonyl)(difluoro)methyl]phosphonate","Acta Crystallographica Section C","1995","51","7","1355","1356","10.1107/S0108270194012254","","","0.71073","MoKα","","","0.034","","","0.056","","","","","1.17","1.17","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003659","7.136","0.001","7.221","0.001","24.405","0.003","90","","90","","90","","1257.6","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4R,5R)-(-)-3 Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide","","- C12 H17 N O2 S -","- C12 H17 N O2 S -","- C48 H68 N4 O8 S4 -","4","1","FG1054","Robinson, P. D.; Hua, D. H.; Chen, J.; Lagneau, N.","(2<i>S</i>,4<i>R</i>,5<i>R</i>)-({-})-3-Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide","Acta Crystallographica Section C","1995","51","7","1372","1374","10.1107/S010827019500076X","","","0.71069","MoKα","","","0.031","","","0.036","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003681","19.158","0.003","19.029","0.003","6.377","0.002","90","","90","","90","","2324.8","0.9","296","","298","","","","","","","","crystallized from ethanol-water","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C116 H128 O12 -","4","1","KA1098","Böcskei, Z.; Simon, K.; Ambrus, G.; Ilköy, E.","On the Isostructural Molecular Compound Formation of a Steroid with α- and β- Naphthols","Acta Crystallographica Section C","1995","51","7","1319","1322","10.1107/S0108270194013442","","","1.5418","CuKα","","","0.088","","","0.062","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003682","19.058","0.002","19.209","0.002","6.275","0.001","90","","90","","90","","2297.2","0.5","298","","298","","","","","","","","crystallized from ethanol-water","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C116 H128 O12 -","4","1","KA1098","Böcskei, Z.; Simon, K.; Ambrus, G.; Ilköy, E.","On the Isostructural Molecular Compound Formation of a Steroid with α- and β- Naphthols","Acta Crystallographica Section C","1995","51","7","1319","1322","10.1107/S0108270194013442","","","1.5418","CuKα","","0.0831","0.0513","","0.052","0.0456","","","","","4.581","4.581","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003692","5.154","0.002","12.257","0.008","16.034","0.008","90","","90","","90","","1012.9","0.9","291","2","","","","","","","","","Furneaux, Mason & Miller (1984), compound (17)","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O5 -","- C11 H10 O5 -","- C44 H40 O20 -","4","1","KH1010","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Miller, I. J.","Adducts from the Pyrolysis of Cellulose: (1α,2β,6β,7α)-3,8-Dioxatricyclo[5.3.1.1^2,6^]dodeca-4,9-diene-11,12-dione and (1<i>R</i>)-(1α,2β,3α,6α,8β,9α)-5,13,14-Trioxatetracyclo[7.3.1.1^3,6^.0^2,8^]tetradec-10-ene-7,12-dione","Acta Crystallographica Section C","1995","51","7","1369","1372","10.1107/S0108270195000242","","","0.71069","MoKα","","","0.0461","","","0.0621","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003693","11.8054","0.001","5.0922","0.001","20.0693","0.0013","90","","90","","90","","1206.5","0.3","293","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 N O2 Se -","- C14 H9 N O2 Se -","- C56 H36 N4 O8 Se4 -","4","1","KH1013","Fong, M. C.; Gable, R. W.; Schiesser, C. H.","3-Phenyl-1,3(4<i>H</i>)-benzoselenazine-2,4(3<i>H</i>)-dione","Acta Crystallographica Section C","1995","51","7","1333","1335","10.1107/S0108270194014563","","","1.5418","CuKα","","","0.0333","","","0.0894","","","","","1.123","1.123","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003706","5.333","0.0004","5.633","0.0006","21.203","0.003","90","","90","","90","","636.95","0.12","293","","293","","","","","","","","Norwich Eaton Pharmaceuticals, Inc. (Norwich, New York)","4","P 21 21 21","P 2ac 2ab","19","","5-nitro-2-aldoxime","","- C5 H4 N2 O4 -","- C5 H4 N2 O4 -","- C20 H16 N8 O16 -","4","1","NA1116","Olszak, T. A.; Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","5-Nitrofuran-2-aldoxime","Acta Crystallographica Section C","1995","51","7","1304","1306","10.1107/S0108270194008425","","","0.71069","MoKα","","0.0371","0.0255","","0.0719","0.0685","","","","1.035","1.101","1.101","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003709","6.765","0.003","8.93","0.002","16.166","0.005","90","","90","","90","","976.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aRS,10aRS,10bRS)-Octahydro-1H,3H-pyrano[3',4':4,5]isoxazolo[2,3-a]pyridin- 1-one.","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","NA1129","Alvarez-Larena, A.; Piniella, J. F.; Cid, P.; de March, P.; Figueredo, M.; Font, J.; Milán, S.; Soria, A.","Three Lactone Fused Perhydroisoxazolo[2,3-<i>a</i>]pyridines: a Conformational Study","Acta Crystallographica Section C","1995","51","7","1314","1319","10.1107/S0108270194013661","","","0.70926","MoKα","","0.0373","0.0281","","0.0779","0.0719","","","","1.088","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003711","6.755","0.005","7.068","0.007","40.62","0.05","90","","90","","90","","1939","3","288","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O5 S -","- C19 H30 O5 S -","- C76 H120 O20 S4 -","4","1","NA1130","Adams, H.; Bailey, N. A.; Jones, D. N.; Aversa, M. C.; Bonaccorsi, P.; Giannetto, P.","An Enantiopure Isobornylsulfinylcyclohexene Derivative, C~19~H~30~O~5~S","Acta Crystallographica Section C","1995","51","7","1357","1359","10.1107/S0108270195000746","","","0.71073","MoKα","","","0.0766","","","0.0773","","","","","1.71","1.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003717","7.244","0.005","14.863","0.008","27.308","0.012","90","","90","","90","","2940","3","293","","293","","","","","","","","from chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","4-benzyl-6-methoxy-3-propylsulfonyl-2-(2,2,2',2'-tetramethyl-[4,4'] bi{[1,3]dioxolanyl}-5-yl)-1-aza-bicyclo[3.2.0]heptane-7-one","","- C27 H39 N O8 S -","- C30 H46 N O8 S -","- C120 H184 N4 O32 S4 -","4","1","PA1154","Chiaroni, A.; Riche, C.; Adonias, M.; Anaya, J.; Géro, S. D.; Tachdjian, C.","Two Methyl-Substituted Carbapenem Antibiotic Precursors","Acta Crystallographica Section C","1995","51","7","1306","1310","10.1107/S0108270194014423","","","1.5418","CuKα","","","0.068","","","0.093","","","","","1.1","1.1","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003726","7.572","0.001","13.25","0.002","17.376","0.002","90","","90","","90","","1743.3","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","VJ1011","Bidyasagar, M.; Ravikumar, K.; Rama Rao, A. V.; Sarma, B. V. N. B. S.; Singh, A. K.","Structural Studies of Intermediates in the Synthesis of Mifepristone (RU 486). III. 3,3-Ethylenedioxy-5(10),9(11)-estradien-17-one","Acta Crystallographica Section C","1995","51","7","1327","1330","10.1107/S010827019401468X","","","0.71069","MoKα","","","0.041","","","0.049","","","","","1.088","1.088","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003750","7.996","0.003","20.077","0.002","7.733","0.002","90","","90","","90","","1241.4","0.6","269","","","","","","","","","","Crystallised from methanol solution","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 I N O4 -","- C10 H14 I N O4 -","- C40 H56 I4 N4 O16 -","4","1","AS1168","Okabe, N.; Suga, T.","3-Iodo-<small>L</small>-tyrosine Methanol Solvate (1/1)","Acta Crystallographica Section C","1995","51","8","1700","1701","10.1107/S010827019500271X","","","0.71069","MoKα","","","0.027","","","0.036","","","","","1.49","1.49","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003754","13.401","0.002","13.5794","0.001","8.695","0.001","90","0.01","90","0.01","90","0.01","1582.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","exo-2-(eta-6-Hexamethylbenzene)-endo-2-chloro-2-ruthena-arachno-tetraborane","","- C12 H26 B3 Cl Ru -","- C12 H26 B3 Cl Ru -","- C48 H104 B12 Cl4 Ru4 -","4","1","BK1106","Bown, M.; Ingham, S. L.; Norris, G. E.; Waters, J. M.","<i>exo</i>-2-(η^6^-Hexamethylbenzene)-<i>endo</i>-2-chloro-2-ruthena-<i>arachno</i>-tetraborane(8)","Acta Crystallographica Section C","1995","51","8","1503","1505","10.1107/S0108270195001272","","","0.71073","MoKα","","0.0353","0.0253","","0.0796","0.072","","","","1.023","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003756","9.8537","0.001","14.2586","0.0013","14.7465","0.0014","90","","90","","90","","2071.9","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","BK1114","Clegg, W.; Ranelli, M.; Jackson, R. F. W.","An Epoxyamide","Acta Crystallographica Section C","1995","51","8","1604","1606","10.1107/S0108270195001260","","","1.54184","CuKα","","0.0512","0.048","","0.151","0.1369","","","","1.04","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003771","5.21","0.002","9.527","0.003","16.524","0.006","90","","90","","90","","820.2","0.5","295","","","","","","","","","","crystallized from CH~3~CN","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 I N S2 -","- C6 H4 I N S2 -","- C24 H16 I4 N4 S8 -","4","1","CR1162","Oakley, R. T.; von Spence, R. E.; Richardson, J. F.","Benzo-1,3,2-dithiazolium Iodide","Acta Crystallographica Section C","1995","51","8","1654","1655","10.1107/S0108270195000862","","","0.71073","MoKα","","","0.026","","","0.03","","","","","1.159","1.159","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003781","6.35","0.005","10.954","0.008","21.118","0.018","90","","90","","90","","1469","2","150","0.2","150","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-methyl-4(1'-methoxy-benzyl)-1H-2,3-benzodiazepine","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","HA1139","Blake, A. J.; Harding, M.; Sharp, J. T.","4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds","Acta Crystallographica Section C","1995","51","8","1621","1627","10.1107/S0108270195001120","","","0.71073","MoKα","","0.0691","0.0552","","0.1591","0.1379","","","","1.035","1.057","1.057","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003784","10.3302","0.0003","10.638","0.0002","9.7044","0.0002","90","","90","","90","","1066.44","0.04","293","","293","","","","","","","","Associated Octel Company Ltd","4","P 21 21 21","P 2ac 2ab","19","2,6-dichlorophenylguanidinium chloride","2,6-dichlorophenylguanidinium chloride","","- C7 H8 Cl3 N3 -","- C7 H8 Cl3 N3 -","- C28 H32 Cl12 N12 -","4","1","HA1140","Barker, J.; Powell, H. R.","2,6-Dichlorophenylguanidinium Chloride","Acta Crystallographica Section C","1995","51","8","1714","1716","10.1107/S0108270195002150","","","1.5418","CuKα","","0.0417","0.0405","","0.0432","0.0429","","","","","1.0991","1.0991","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003789","9.534","0.004","14.283","0.004","24.02","0.005","90","","90","","90","","3270.9","1.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","oleandrin dihydrate","16ß-(Acetyloxy)-3ß-[(2,6-dideoxy-3-o-mothyl-L-arabino- hexopyranosyl)oxy]-14-hydroxycard-20-(22)-enolide.dihydrate","","- C32 H52 O11 -","- C32 H52 O11 -","- C128 H208 O44 -","4","1","HR1054","Panneerselvam, K.; Soriano-García, M.","16β-(Acetyloxy)-3β-[(2,6-dideoxy-3-<i>O</i>-methyl-<small>L</small>-<i>arabino</i>-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide Dihydrate","Acta Crystallographica Section C","1995","51","8","1646","1648","10.1107/S0108270195002216","","","1.54178","CuKα","","0.0393","0.0383","","0.1044","0.1033","","","","1.109","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003790","11.679","0.001","11.31","0.001","7.847","0.001","90","","90","","90","","1036.51","0.18","238","5","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 O4 S -","- C8 H16 O4 S -","- C32 H64 O16 S4 -","4","1","HU1071","Hellier, D. G.; Motevalli, M.","5-<i>tert</i>-Butyl-5-methyl-1,3,2-dioxathiane 2,2-Dioxide","Acta Crystallographica Section C","1995","51","8","1701","1703","10.1107/S0108270193012314","","","0.71069","MoKα","","0.0257","0.0248","","0.0574","0.057","","","","1.011","1.017","1.017","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003799","7.032","0.001","7.443","0.001","19.574","0.004","90","","90","","90","","1024.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2-Methoxyphenyl)pyridine-N-oxide","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","KA1113","Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z.","2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative","Acta Crystallographica Section C","1995","51","8","1590","1593","10.1107/S0108270195002083","","","1.54178","CuKα","","0.0413","0.0398","","0.1164","0.1157","","","","1.098","1.113","1.113","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003815","7.494","0.001","7.538","0.003","38.3","0.09","90","","90","","90","","2164","5","293","2","293","2","","","","","","","chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","(1S)-2-[(1R,1'R)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol","","- C21 H33 Cl N2 O2 -","- C21 H33 Cl N2 O2 -","- C84 H132 Cl4 N8 O8 -","4","1","MU1165","Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.","Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic","Acta Crystallographica Section C","1995","51","8","1675","1680","10.1107/S0108270195001478","","","1.54056","CuKα","","0.2612","0.0784","","0.327","0.2139","","","","0.904","1.236","1.236","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003819","8.235","0.002","8.602","0.001","19.604","0.001","90","","90","","90","","1388.7","0.4","293","","","","","","","","","","synthesis and recrystallization","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Cl2 Cu N3 -","- C12 H17 Cl2 Cu N3 -","- C48 H68 Cl8 Cu4 N12 -","4","1","MU1170","Wong, W.-T.; Leung, W.-H.; Chan, E. Y. Y.","Dichloro[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(2-pyridylmethylene)-1,2-cyclohexanediamine]copper(II)","Acta Crystallographica Section C","1995","51","8","1519","1520","10.1107/S010827019500223X","","","0.71073","MoKα","","","0.031","","","0.042","","","","","1.034","1.034","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003828","6.076","0.002","14.055","0.006","15.087","0.009","90","","90","","90","","1288.4","1","293","2","293","2","","","","","","","recrystallized from an aqueous solution at room temperature","4","P 21 21 21","P 2ac 2ab","19","","3-[(tertbutyl)-2-Hydroxy-3H-Naphth-3-ylidene)methyl]aldamine","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","NA1150","Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.","Two 2,3-Naphthalenic Schiff Bases","Acta Crystallographica Section C","1995","51","8","1643","1646","10.1107/S0108270195001417","","","1.54178","CuKα","","0.0585","0.0554","","0.1643","0.1597","","","","1.153","1.164","1.164","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003829","12.139","0.003","14.635","0.003","27.951","0.007","90","","90","","90","","4966","2","293","","","","","","","","","","?","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O4 -","- C27 H40 O4 -","- C216 H320 O32 -","8","2","","Puliti, R.; Mattia, C. A.; Mazzarella, L.","Scalaradial, a Sesterterpenoid Metabolite from the Marine Sponge Cacospongia mollior","Acta Crystallographica Section C","1995","51","8","1703","1707","10.1107/S0108270195002034","","","1.54056","CuKα","","","0.04","","","0.039","","","","","0.89","0.89","","","","","has coordinates","175356","2020-10-21","18:00:00",""
"2003844","5.916","0.001","13.808","0.002","35.841","0.005","90","","90","","90","","2927.8","0.8","290","","","","","","","","","","grown from EtOAc","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Br O4 -","- C34 H33 Br O4 -","- C136 H132 Br4 O16 -","4","1","PT1000","Gao, Q.; Yu, K.-L.; Mansuri, M. M.; Kerns, E. H.; Starrett, Jnr, J. E.","Methyl 6-[(4-Bromobenzoyloxy)(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthyl)methyl]-2-naphthalenecarboxylate","Acta Crystallographica Section C","1995","51","8","1672","1675","10.1107/S0108270195001958","","","1.5418","CuKα","","","0.045","","","0.057","","","","","1.643","1.643","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2003849","6.593","0.004","10.237","0.005","20.219","0.01","90","","90","","90","","1364.6","1.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3S,4S) 1-[(1S)-1-phenylethyl]-3-hydroxy-2-hydroxymethyl-4-methyl pyrrolidine","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","AB1230","Chiaroni, A.; Riche, C.; Nicole, L.","(2<i>R</i>,3<i>S</i>,4<i>S</i>)-3-Hydroxy-4-methyl-1-[(1<i>S</i>)-1-phenylethyl]pyrrolidine-2-methanol","Acta Crystallographica Section C","1995","51","9","1859","1861","10.1107/S0108270194015027","","","1.5418","CuKα","","","0.036","","","0.049","","","","","0.64","0.64","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2003858","10.622","0.002","13.662","0.003","16.525","0.003","90","","90","","90","","2398.1","0.8","293","2","293","2","","","","","","","Methylation of inosine.","4","P 21 21 21","P 2ac 2ab","19","1-methylinosine","","","- C11 H14 N4 O5 -","- C11 H14 N4 O5 -","- C88 H112 N32 O40 -","8","2","AB1267","Partridge, B. L.; Pritchard, C. E.","Two Methylated Ribonucleosides: 3-Methyluridine and 1-Methylinosine","Acta Crystallographica Section C","1995","51","9","1929","1932","10.1107/S0108270195003933","","","1.54178","CuKα","","0.076","0.05","","0.1668","0.1287","","","","1.084","0.98","0.98","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003870","13.782","0.001","29.581","0.002","5.502","0.003","90","","90","","90","","2243.1","1.2","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3,4,6-tetra-O-acetyl-N-β-D-glucopyranosyl-S-phenylsulfenamide","","- C20 H25 N O9 S -","- C20 H25 N O9 S -","- C80 H100 N4 O36 S4 -","4","1","BM1001","Lee, C. K.; Linden, A.; Vasella, A.","<i>N</i>-<small>D</small>-Glucopyranosyl-<i>S</i>-phenylsulfenamide: Structure and Evaluation as a Novel β-Glucosidase Inhibitor","Acta Crystallographica Section C","1995","51","9","1906","1910","10.1107/S0108270195005944","","","0.71073","MoKα","","0.0794","0.0452","","0.045","0.0416","","","","","1.505","1.505","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003875","6.8923","0.0011","12.836","0.002","17.387","0.003","90","","90","","90","","1538.2","0.4","240","2","240","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-(4''-methylphenyl)(2'R,4R)-2'-bromo-2'-(2,2-dimethyl-1,3-dioxolan- 4-yl)ethanethiolate","","- C14 H17 Br O3 S -","- C14 H17 Br O3 S -","- C56 H68 Br4 O12 S4 -","4","1","BM1008","Clegg, W.; Dunbar, J. M.; Elsegood, M. R. J.; Jackson, R. F. W.; Palmer, N. J.","Two Products of Ring Opening Reactions of an Arylthionitrooxirane","Acta Crystallographica Section C","1995","51","9","1950","1953","10.1107/S0108270195004276","","","0.71073","MoKα","","0.0616","0.0372","","0.1059","0.0926","","","","1.071","1.067","1.067","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003883","9.526","0.002","10.194","0.002","16.391","0.004","90","","90","","90","","1591.7","0.6","293","2","293","2","","","","","","","from benzene","5","P 21 21 21","P 2ac 2ab","19","","2-(diphenylphosphine sulfide)cyclohexanone","","- C18 H19 O P S -","- C18 H19 O P S -","- C72 H76 O4 P4 S4 -","4","1","DU1112","Boukraa, M.; Jouini, T.; Barkallah, S.; Ben Akacha, A.; Zantour, H.; Baccar, B.","Diphenyl(2-oxocyclohexyl)phosphine Sulfide","Acta Crystallographica Section C","1995","51","9","1851","1853","10.1107/S0108270195001557","","","0.71069","MoKα","","0.0577","0.0503","","0.1313","0.1257","","","","1.058","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003902","11.783","0.001","16.365","0.004","8.981","0.001","90","","90","","90","","1731.8","0.5","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 Cl Cr N5 O8 -","- C10 H25 Cl Cr N5 O8 -","- C40 H100 Cl4 Cr4 N20 O32 -","4","1","JZ1012","Choi, J.-H.; Suh, I.-H.; Kwak, S.-H.","[Bis(3-aminopropyl)amine-<i>N</i>,<i>N</i>',<i>N</i>''][glycylglycinato(2‒)-<i>N</i>,<i>N</i>',<i>O</i>]chromium(III) Perchlorate Monohydrate, [Cr(C~4~H~6~N~2~O~3~)(C~6~H~17~N~3~)]ClO~4~.H~2~O","Acta Crystallographica Section C","1995","51","9","1745","1748","10.1107/S0108270195002800","","","0.71073","MoKα","","","0.0416","","","0.0416","","","","","1.4815","1.4815","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2003918","7.0866","0.0014","7.813","0.002","23.956","0.004","90","","90","","90","","1326.4","0.5","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,4R,4'R)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C52 H76 Cl4 O12 -","4","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0372","0.0285","","0.0806","0.0714","","","","1.066","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003919","7.364","0.002","7.484","0.002","24.168","0.005","90","","90","","90","","1332","0.6","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,4R,4'S)-4'-chloromethyl-4,7,7-trimethylbicyclo[2.2.1]heptane- 2-spiro-2'-(1',3'-dioxolan)-3-one","","- C13 H19 Cl O3 -","- C13 H19 Cl O3 -","- C52 H76 Cl4 O12 -","4","1","KA1114","Clegg, W.; Golding, B. T.; King, B. J.; Maude, A. B.","Four Isomeric Dioxolane Derivatives of <small>D</small>-Camphorquinone","Acta Crystallographica Section C","1995","51","9","1825","1829","10.1107/S0108270195001788","","","0.71073","MoKα","","0.0286","0.0269","","0.0745","0.072","","","","1.035","1.03","1.03","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003920","7.9169","0.0009","9.2702","0.0006","15.9849","0.0012","90","","90","","90","","1173.15","0.18","293","1","293","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Mer(NO~2~),trans(NH~2~,NH~3~)-silver(I)- (S-alaninato)amminetrinitrocobaltate(III) Monohydrate","","- C3 H11 Ag Co N5 O9 -","- C3 H11 Ag Co N5 O9 -","- C12 H44 Ag4 Co4 N20 O36 -","4","1","KA1120","Prelesnik, B.; Andjelković, K.; Malinar, M.; Juranic, N.","Mono(aminocarboxylato)cobalt(III) Complexes Possessing Only Vicinal and Conformational Asymmetry. IV. Silver(I) <i>mer</i>-(NO~2~),<i>trans</i>-(NH~2~,NH~3~)-[(<i>S</i>)-alaninato]amminetrinitrocobaltate(III) Monohydrate","Acta Crystallographica Section C","1995","51","9","1767","1769","10.1107/S0108270195002812","","","0.71069","MoKα","","","0.035","","","0.037","","","","","2.6","2.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003921","7.799","0.001","11.275","0.0008","11.622","0.001","90","","90","","90","","1021.97","0.17","213","","213","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 O3 -","- C9 H14 N2 O3 -","- C36 H56 N8 O12 -","4","1","KH1020","Chai, C. L. L.; King, A. R.; Hockless, D. C. R.","<i>cyclo</i>-<i>N</i>-Acetyl-<small>L</small>-alanyl-<i>N</i>-methyl-<small>L</small>-alanyl (<i>cyclo</i>-<i>N</i>-Ac-<small>L</small>-Ala-<i>N</i>-Me-<small>L</small>-Ala)","Acta Crystallographica Section C","1995","51","9","1836","1838","10.1107/S0108270195002745","","","1.5418","CuKα","","0.0329","0.029","","0.0229","0.023","","","","","3.56","3.56","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003936","10.002","0.002","14.274","0.003","21.976","0.004","90","","90","","90","","3137.5","1.1","293","2","293","2","","","","","","","chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","","(Z)-N-[(2R,3R)-2-(tert-Butoxycarbonylamino)-3-(tert- butyldiphenylsilyloxy)butylidene]benzylamine N-oxide","","- C32 H42 N2 O4 Si -","- C32 H42 N2 O4 Si -","- C128 H168 N8 O16 Si4 -","4","1","NA1167","Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.","(<i>Z</i>)-<i>N</i>-[(2<i>R</i>,3<i>R</i>)-2-(<i>tert</i>-Butoxycarbonylamino)-3-(<i>tert</i>-butyldiphenylsiloxy)butylidene]benzylamine <i>N</i>-Oxide","Acta Crystallographica Section C","1995","51","9","1949","1950","10.1107/S0108270195004343","","","0.71073","MoKα","","0.1279","0.0568","","0.1593","0.1148","","","","1.078","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003940","8.521","0.003","15.367","0.006","16.892","0.006","90","","90","","90","","2211.9","1.4","293","","293","","","","","","","","synth\`ese chimique","4","P 21 21 21","P 2ac 2ab","19","","1-mésityl-3a-méthyl-5-phényl-3,3a,4,11-tétrahydro-3H-[1,2,4] oxadiazolo [4,5-a] [1,5] benzodiazépine","","- C26 H25 N3 O -","- C26 H25 N3 O -","- C104 H100 N12 O4 -","4","1","PA1141","Chiaroni, A.; Riche, C.; Baouid, A.; Benharref, A.; Hasnaoui, A.; Lavergne, J.-P.","1-Mésityl-3a-méthyl-5-phényl-3a,4-dihydro[1,2,4]oxadiazolo[4,5-<i>a</i>][1,5]benzodiazépine","Acta Crystallographica Section C","1995","51","9","1898","1900","10.1107/S0108270194010358","","","0.7107","MoKα","","","0.056","","","0.063","","","","","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003956","15.209","0.003","25.479","0.004","6.26","0.002","90","","90.01","0.02","90","","2425.8","1","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O5 -","- C27 H30 N2 O5 -","- C108 H120 N8 O20 -","4","1","VJ1012","Tsutsumi, S.; Okonogi, T.; Takeuchi, Y.; Kodama, Y.","Prolyl Endopeptidase Inhibitors. I. A Peptidyl α-Keto Ester Derivative","Acta Crystallographica Section C","1995","51","9","1923","1925","10.1107/S0108270195003891","","","1.5418","CuKα","","","0.229","","","0.079","","","","","1.24","1.24","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2003964","7.414","0.002","11.981","0.002","22.826","0.006","90","","90","","90","","2027.6","0.8","290","","","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","2","AB1254","Rajnikant; Watkin, D.; Tranter, G.","3-Nitrobiphenyl","Acta Crystallographica Section C","1995","51","10","2071","2073","10.1107/S0108270195003593","","","0.71073","MoKα","","","0.045","","","0.0571","","","","","0.83","0.83","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2003974","7.815","0.001","8.116","0.001","24.972","0.002","90","","90","","90","","1583.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","14-methyl-7,14-dihydrodibenzo[a,j]acridine","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","AS1170","Ray, J. K.; Roy, B. C.; Nigam, G. D.; Sivakumar, K.; Fun, H.-K.","14-Methyl-7,14-dihydrodibenzo[<i>a</i>,<i>j</i>]acridine","Acta Crystallographica Section C","1995","51","10","2083","2085","10.1107/S0108270195004860","","","0.71073","MoKα","","0.0465","0.0332","","0.1447","0.0924","","","","1.044","1.142","1.142","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003989","15.243","0.006","15.384","0.006","29.716","0.009","90","","90","","90","","6968","4","120","0.2","120","0.2","","","","","","","see prep","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2α,3β,23-triacetoxyurs-12,18-dien-28-oate","","- C37 H54 O8 -","- C37 H54 O8 -","- C296 H432 O64 -","8","2","BM1010","Cox, P. J.; Durham, D. G.; Liu, X.; Richards, R. M. E.","Methyl 2α,3β,23-Triacetoxyurs-12,18-dien-28-oate","Acta Crystallographica Section C","1995","51","10","2135","2137","10.1107/S0108270195005774","","","0.71069","MoKα","","0.1029","0.0452","","0.0891","0.0747","","","","0.644","0.898","0.898","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2003990","9.9075","0.0007","12.4566","0.0013","16.047","0.002","90","","90","","90","","1980.4","0.4","294","1","294","1","","","","","","","see prep","4","P 21 21 21","P 2ac 2ab","19","","(3R,4R,4aS,10aR)-5-acetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-7-methyl-6- oxo-2H-pyrano[3,2-g]pteridin-3,4-diyl diacetate","","- C17 H22 N4 O8 -","- C17 H22 N4 O8 -","- C68 H88 N16 O32 -","4","1","BM1014","Low, J. N.; Cadoret, E.; Ferguson, G.; López, M. D.; Quijano, M. L.; Sánchez, A.; Nogueras, M.","A Triacetyl Derivation of a Pyrano[3,2-<i>g</i>]pteridine","Acta Crystallographica Section C","1995","51","10","2141","2143","10.1107/S0108270195005956","","","0.71073","MolybdenumKα","","0.082","0.042","","0.058","0.052","","","","","1.37","1.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004014","6.724","0.001","8.721","0.001","18.692","0.003","90","","90","","90","","1096.1","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cu N2 O5 -","- C10 H10 Cu N2 O5 -","- C40 H40 Cu4 N8 O20 -","4","1","JZ1046","Tosik, A.; Sieron, L.; Bukowska-Strzyzewska, M.","<i>catena</i>-Poly[aqua(benzimidazole-<i>N</i>^3^)copper(II)-μ-malonato-<i>O</i>,<i>O</i>'':<i>O</i>']","Acta Crystallographica Section C","1995","51","10","1987","1989","10.1107/S0108270195004707","","","1.54184","CuKα","","","0.0462","","","0.047","","","","","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004018","10.293","0.012","14.21","0.03","15.6","0.03","90","0.02","90","0.05","90","0.06","2282","7","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","KA1122","Weber, H. P.; Ettmayer, P.; Hübner, M.; Gstach, H.","(3<i>R</i>,4<i>S</i>,5<i>S</i>)-5-Benzyl-4-hydroxy-3-[1(<i>S</i>)-(1,1-dimethylethoxycarbonylamino)-2-phenylethyl]pyrrolidin-2-one","Acta Crystallographica Section C","1995","51","10","2139","2141","10.1107/S010827019500504X","","","1.54184","CuKα","","","0.068","","","0.069","","","","","3.113","3.113","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004020","7.037","0.001","7.645","0.001","13.445","0.001","90","","90","","90","","723.31","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hydrazinium L-tartrate","","- C4 H10 N2 O6 -","- C4 H10 N2 O6 -","- C16 H40 N8 O24 -","4","1","KH1026","Fun, H.-K.; Sivakumar, K.; Jiang, Y.-Z.; Sun, J.; Zhou, Z.-Y.","Hydrazinium <small>L</small>-Tartrate","Acta Crystallographica Section C","1995","51","10","2085","2087","10.1107/S0108270195005488","","","0.71073","MoKα","","0.0363","0.0314","","0.0811","0.0791","","","","0.989","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004044","10.184","0.002","13.362","0.001","16.429","0.001","90","","90","","90","","2235.6","0.5","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","1","NA1165","Puliti, R.; De Rosa, S.; Mattia, C. A.","Studies on Avarol Derivatives. 2',5'-Diacetylavarol from <i>Dysidea Avara</i>","Acta Crystallographica Section C","1995","51","10","2163","2166","10.1107/S0108270195004720","","","1.54056","CuKα","","","0.047","","","0.055","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004046","8.5973","0.0005","16.592","0.0008","30.202","0.002","90","","90","","90","","4308.2","0.4","293","","293","","","","","","","","Janssen Research Foundation, Beerse, Belgium","6","P 21 21 21","P 2ac 2ab","19","","(+)-(S)-4-[(2-Benzothiazolyl)methylamino]-α-[(3,4-difluorophenoxy)methyl]- piperidineethanol","","- C22 H25 F2 N3 O2 S -","- C25 H26.5 F3 N3 O2 S -","- C200 H212 F24 N24 O16 S8 -","8","2","NA1175","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","(+)-(<i>S</i>)-1-{4-[(2-Benzothiazolyl)(methyl)amino]piperidyl}-3-(3,4-difluorophenoxy)-2-propanol (Lubeluzole)","Acta Crystallographica Section C","1995","51","10","2129","2132","10.1107/S0108270195005439","","","1.54184","CuKα","","0.0591","0.0524","","0.1541","0.154","","","","1.039","1.038","1.038","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004056","8.448","0.002","9.383","0.003","21.14","0.007","90","","90","","90","","1675.7","0.9","293","","293","","","","","","","","chemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3R,4S)-N-methyl-1,2-oxydo-3-methyl-4-phenyl-1,2,3,4- tetrahydroisoquinolinium","","- C17 H18 B F4 N O -","- C17 H18 B F4 N O -","- C68 H72 B4 F16 N4 O4 -","4","1","PA1171","Chiaroni, A.; Hanquet, G.; Lusinchi, M.; Riche, C.","First X-ray Determination of an Oxaziridinium Salt: (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-2,3-Dimethyl-4-phenyl-1,2,3,4-tetrahydro-1,2-epoxyisoquinolinium Tetrafluoroborate and (1<i>S</i>,2<i>R</i>,3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-1,2,3,4-tetrahydro-2,3-epoxyisoquinoline","Acta Crystallographica Section C","1995","51","10","2047","2050","10.1107/S0108270195004604","","","1.5418","CuKα","","","0.097","","","0.083","","","","","1.05","1.05","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2004058","8.517","0.006","15.512","0.009","25.925","0.014","90","","90","","90","","3425","4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11-12 dihydro, 7-triethylsilyl, 10-deacetylbaccatin III.","","- C35 H52 O10 Si -","- C35 H52 O10 Si -","- C140 H208 O40 Si4 -","4","1","PA1173","Chiaroni, A.; Riche, C.; Marder, R.; Dubois, J.; Guénard, D.; Guéritte-Voegelein, F.","A 10-Deacetylbaccatin III Derivative: 11,12-Dihydro-7-triethylsilyl-10-deacetylbaccatin III","Acta Crystallographica Section C","1995","51","10","2050","2053","10.1107/S0108270195004616","","","1.5418","CuKα","","","0.041","","","0.056","","","","","0.96","0.96","","","","","has coordinates,has disorder","190593","2020-10-21","18:00:00",""
"2004061","8.77","0.02","20.42","0.03","13.17","0.02","90","","90","","90","","2359","7","200","2","200","2","","","","","","","isolated from needles of Taxus chinensis; after CC-separation and purification recrystallisation from n-hexane/ EtOH.","3","P 21 21 21","P 2ac 2ab","19","","2α,5α,9α-Trihydroxy-10β,13α-diacetoxy-4b,20-epoxy-taxa-11-ene","","- C24 H36 O8 -","- C24 H36 O8 -","- C96 H144 O32 -","4","1","SE1076","Wiedenfeld, H.; Knoch, F.; Zhang, Z. P.","2α,5α,9α-Trihydroxy-10β,13α-diacetoxy-4β,20-epoxy-taxa-11-en, ein neues Taxan aus <i>Taxus chinensis</i>","Acta Crystallographica Section C","1995","51","10","2184","2186","10.1107/S010827019500429X","","","0.71073","MoKα","","0.0847","0.0393","","0.0957","0.0837","","","","0.708","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004083","9.502","0.003","9.98","0.004","10.68","0.004","90","","90","","90","","1012.8","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","AB1286","Hibbs, D. E.; Hursthouse, M. B.; Malik, K. M. A.","({-})-(1<i>S</i>,3<i>R</i>,4<i>R</i>,6<i>S</i>)-4,7,7-Trimethyl-5-oxobicyclo[4.1.0]heptane-3-carbonitrile","Acta Crystallographica Section C","1995","51","11","2315","2317","10.1107/S0108270195008316","","","0.71069","MoKα","","0.039","0.0365","","0.0881","0.0876","","","","1.096","1.132","1.132","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004084","11.529","0.004","17.725","0.005","7.172","0.005","90","","90","","90","","1465.6","1.2","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl 2,2^1^-anhydro-4,6-O-benzylidene-3-deoxy-3-C-[(R)-2-hydroxyethyl]- α-D-allopyranoside","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","AB1289","Linden, A.; Lee, C. K.","Methyl 2,2^1^-Anhydro-4,6-<i>O</i>-benzylidene-3-deoxy-3-<i>C</i>-[(<i>R</i>)-2-hydroxyethyl]-α-<small>D</small>-<i>allo</i>-pyranoside at 173 K","Acta Crystallographica Section C","1995","51","11","2320","2322","10.1107/S0108270195008997","","","0.71069","MoKα","","0.0777","0.0453","","0.0432","0.0399","","","","","1.598","1.598","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2004098","8.388","0.002","10.527","0.002","19.73","0.004","90","","90","","90","","1742.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Benzyl-1-deoxy-1-(hydroxyamino)-2,3-O-diisopropylidene-1- (N-methylimidazol-2-yl)-D-threo-triitol.","","- C17 H23 N3 O3 -","- C17 H23 N3 O3 -","- C68 H92 N12 O12 -","4","1","BK1141","Merino, P.; Merchan, F. L.; Tejero, T.","Chiral Hydroxylamines. I. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-1-deoxy-2,3-<i>O</i>-isopropylidene-1-(1-methylimidazol-2-yl)-<small>D</small>-<i>threo</i>-triitol","Acta Crystallographica Section C","1995","51","11","2400","2401","10.1107/S0108270195006962","","","0.71073","MoKα","","0.0854","0.0467","","0.1251","0.1027","","","","1.029","1.063","1.063","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004104","4.5232","0.0008","10.5764","0.001","14.8003","0.0014","90","","90","","90","","708.03","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Bromo-3-deoxy-D-erythro-hex-2-enono-1,5-lactone and 2-Chloro-3-deoxy-D-erythro-hex-2-enono-1,5-lactone","","- C6 H7 Br0.34 Cl0.66 O3 -","- C6 H7 Br0.339 Cl0.661 O3 -","- C24 H28 Br1.356 Cl2.644 O12 -","4","1","CF1006","Fun, H.-K.; Sivakumar, K.; Ang, H.-B.; Sam, T.-W.; Gan, E.-K.","A 2:1 Solid Solution of 6-Chloro-2,3,6-trideoxy-<small>D</small>-<i>erythro</i>-hex-2-enono-1,5-lactone and its 6-Bromo Analogue","Acta Crystallographica Section C","1995","51","11","2450","2453","10.1107/S0108270195006615","","","0.71073","MoKα","","0.0508","0.0347","","0.0864","0.0821","","","","0.938","1.046","1.046","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004116","7.6922","0.0005","14.1688","0.0008","19.3663","0.0011","90","","90","","90","","2110.7","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-fluoro-11β-hydroxy-16α-methylandrosta-1,4-diene-3,17-dione 2-butynoate","","- C24 H27 F O4 -","- C24 H27 F O4 -","- C96 H108 F4 O16 -","4","1","CR1188","Brock, C. P.; Song, J.","9α-Fluoro-16α-methyl-3,17-dioxoandrosta-1,4-dien-11β-yl 2-Butynoate","Acta Crystallographica Section C","1995","51","11","2437","2439","10.1107/S0108270195006020","","","0.71073","MoKα","","0.0908","0.0387","","0.1065","0.0897","","","","1","1.108","1.108","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004131","7.203","0.003","34.626","0.005","7.048","0.001","90","","90","","90","","1757.8","0.8","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,8S,8aS)-(+)-1-(t-Butyldimethylsilyloxy)-8-hydroxy-5-indolizidinone","","- C14 H27 N O3 Si -","- C14 H27 N O3 Si -","- C56 H108 N4 O12 Si4 -","4","1","FG1075","Hua, D. H.; Lagneau, N.; Park, J.-G.; Good, L. A.; Robinson, P. D.","(1<i>S</i>,8<i>S</i>,8a<i>S</i>)-(+)-1-(<i>tert</i>-Butyldimethylsilyloxy)-8-hydroxy-1,2,3,5,6,7,8,8a-octahydro-5-indolizinone","Acta Crystallographica Section C","1995","51","11","2301","2304","10.1107/S0108270195004963","","","0.71069","MoKα","","","0.054","","","0.059","","","","","1.8","1.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004141","7.4393","0.0008","7.6507","0.0004","15.6806","0.0008","90","","90","","90","","892.47","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethylenediammonium Tartrate","","- C6 H14 N2 O6 -","- C6 H14 N2 O6 -","- C24 H56 N8 O24 -","4","1","KA1121","Güneş, B.; Soylu, H.; Akkurt, O.; Özbey, S.","Aminoethylammonium Tartrate","Acta Crystallographica Section C","1995","51","11","2346","2348","10.1107/S0108270195006202","","","0.71069","MoKα","","0.0652","0.0618","","0.1706","0.1638","","","","1.131","1.148","1.148","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004155","6.229","0.002","11.951","0.003","18.865","0.006","90","","90","","90","","1404.4","0.7","143","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","KH1035","Gainsford, G. J.; Furneaux, R. H.; Mason, J. M.; Tyler, P. C.","1,6-Anhydro-4-<i>O</i>-benzyl-3-deoxy-2-<i>O</i>-methyl-β-<small>D</small>-<i>ribo</i>-hexopyranose and 1,6-Anhydro-4-<i>O</i>-benzyl-2-<i>C</i>-(2-cyanoethyl)-2,3-dideoxy-β-<small>D</small>-<i>ribo</i>-hexopyranose","Acta Crystallographica Section C","1995","51","11","2418","2421","10.1107/S0108270195007256","","","0.71073","MoKα","","","0.041","","","0.043","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004190","11.346","0.002","12.305","0.001","14.327","0.001","90","","90","","90","","2000.2","0.4","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl N5 O4 -","- C19 H22 Cl N5 O4 -","- C76 H88 Cl4 N20 O16 -","4","1","VJ1015","Das, A. K.; Bertolasi, V.","<i>N</i>-[1-Phenyl-2(<i>R</i>)-propyl]-2-chloroadenosine. An Activating Agent of the Adenosine A2 Receptor","Acta Crystallographica Section C","1995","51","11","2408","2409","10.1107/S0108270195004793","","","0.71069","MoKα","","","0.0366","","","0.0452","","","","","0.57","0.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004194","6.022","0.001","7.319","0.001","32.279","0.005","90","","90","","90","","1422.7","0.4","300","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 F O3 S -","- C14 H19 F O3 S -","- C56 H76 F4 O12 S4 -","4","1","AB1200","Yakoubi, A.; Kallel, A.; Bizid, A.; Baklouti, A.","<i>trans</i>-2-Fluorocyclohexyl <i>p</i>-Toluenesulfonate and <i>trans</i>-2-Fluorocycloheptyl <i>p</i>-Toluenesulfonate","Acta Crystallographica Section C","1995","51","12","2705","2707","10.1107/S0108270195008080","","","0.71073","MoKα","","","0.044","","","0.046","","","","","1.6","1.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004198","8.583","0.003","8.71","0.003","17.03","0.006","90","","90","","90","","1273.1","0.8","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H7 N S2 -","- C4 H7 N S2 -","- C32 H56 N8 S16 -","8","2","AB1269","Laknifli, A.; Pierrot, M.; Chanon, F.; Chanon, M.","Six Substituted Thiazolidine-2-thiones","Acta Crystallographica Section C","1995","51","12","2661","2665","10.1107/S0108270195007955","","","0.71073","MoKα","","","0.045","","","0.04","","","","","1.209","1.209","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004202","12.0126","0.0008","13.075","0.002","7.4562","0.0008","90","","90","","90","","1171.1","0.2","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C60 H40 O12 -","4","1","AS1193","Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.","7-Hydroxy-3-phenylcoumarin, C~15~H~10~O~3~","Acta Crystallographica Section C","1995","51","12","2712","2714","10.1107/S0108270195008821","","","1.54184","CuKα","","","0.038","","","0.043","","","","","2.01","2.01","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004210","8.571","0.001","8.842","0.001","16.607","0.001","90","","90","","90","","1258.6","0.2","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 Cl N O4 -","- C9 H18 Cl N O4 -","- C36 H72 Cl4 N4 O16 -","4","1","BK1131","Weber, H. P.; Anderson, R. C.; Shapiro, M.; Villhauer, E. B.; Gullion, T.","Acetyl-<small>L</small>-carnitine Hydrochloride","Acta Crystallographica Section C","1995","51","12","2570","2572","10.1107/S0108270195008420","","","1.54184","CuKα","","","0.0543","","","0.0639","","","","","3.231","3.231","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004225","14.04","0.003","5.804","0.001","17.728","0.002","90","","90","","90","","1444.6","0.4","300","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O2 -","- C17 H14 Cl N O2 -","- C68 H56 Cl4 N4 O8 -","4","1","CR1165","Kokila, M. K.; Jain, A.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.","4-(4-Chloroanilinomethyl)-6-methylcoumarin","Acta Crystallographica Section C","1995","51","12","2585","2586","10.1107/S0108270195006263","","","0.7093","MoKα","","","0.041","","","0.033","","","","","4.41","4.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004234","10.613","0.003","14.271","0.002","15.172","0.003","90","0.03","90","0.02","90","0.03","2297.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Anomolin","8,8-dimethyl-9,10-di(2-methylbut-2-enoyloxy)-9,10-dihydropyrano [2,3-h] -[2H]-[1]-benzopyran-2-one","","- C24 H26 O7 -","- C24 H26 O7 -","- C96 H104 O28 -","4","1","DE1002","Padha, N.; Goswami, K. N.; Yadava, V. S.; Nethaji, M.","Anomalin. A Dihydropyranocoumarin Derivative from the Plant <i>Lingusticum elatum</i>","Acta Crystallographica Section C","1995","51","12","2710","2712","10.1107/S0108270195008341","","","0.7107","MoKα","","0.1964","0.0659","","0.2862","0.1638","","","","1.043","1.235","1.235","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004244","5.415","0.002","11.618","0.005","15.558","0.009","90","","90","","90","","978.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Gylcyl-L-Glutamine monohydrate","","- C7 H15 N3 O5 -","- C7 H15 N3 O5 -","- C28 H60 N12 O20 -","4","1","FG1069","Panneerselvam, K.; Soriano-García, M.","<small>L</small>-Glycyl-<small>L</small>-Glutamine Monohydrate","Acta Crystallographica Section C","1995","51","12","2718","2720","10.1107/S0108270195009218","","","1.54178","CuKα","","0.0341","0.034","","0.09","0.0898","","","","1.05","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004272","8.863","0.001","13.429","0.001","15.791","0.001","90","","90","","90","","1879.5","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.041","","","0.045","","","","","1.42","1.42","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004275","8.228","0.001","15.31","0.002","17.027","0.001","90","","90","","90","","2144.9","0.4","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl N2 O3 -","- C19 H31 Cl N2 O4 -","- C76 H124 Cl4 N8 O16 -","4","1","KA1140","Bolte, M.","Structural Investigation of Dihydrooxazinones","Acta Crystallographica Section C","1995","51","12","2587","2593","10.1107/S0108270195008961","","","0.71069","MoKα","","","0.055","","","0.053","","","","","1.361","1.361","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004302","9.816","0.001","12.422","0.001","15.234","0.001","90","","90","","90","","1857.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mutilin","[3aS-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-6-ethenyloctahydro-5,8- dihydroxy- 4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","NA1195","Pilati, T.; Cravotto, G.; Palmisano, G.","Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin","Acta Crystallographica Section C","1995","51","12","2676","2680","10.1107/S0108270195008602","","","0.71073","MoKα","","0.0714","0.0463","","0.1166","0.1043","","","","1.032","1.088","1.088","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004303","7.063","0.001","15.863","0.002","18.027","0.003","90","","90","","90","","2019.8","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5-acetylmutilin","[3aS-(3aα,4β,5α,6α,8β,9α,9αβ,10S*]-5-acetate-6-ethenyloctahydro-5,8- dihydroxy-4,6,9,10-tetramethyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","NA1195","Pilati, T.; Cravotto, G.; Palmisano, G.","Absolute Configuration of Mutilin, 5-Acetylmutilin and 5-Bromoacetylmutilin","Acta Crystallographica Section C","1995","51","12","2676","2680","10.1107/S0108270195008602","","","0.71073","MoKα","","0.0696","0.0448","","0.0994","0.0887","","","","1.067","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004307","7.711","0.002","12.728","0.003","13.728","0.003","90","","90","","90","","1347.3","0.6","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","PA1169","Benharref, A.; El Jamili, H.; Lassaba, E.; Giorgi, M.; Pierrot, M.","2β,3β-Epoxy-α-<i>trans</i>-himachalene and 2β,3β,11α,15α-Diepoxy-<i>trans</i>-himachalane Derivatives","Acta Crystallographica Section C","1995","51","12","2658","2661","10.1107/S0108270195009024","","","0.71073","MoKα","","","0.05","","","0.073","","","","","2.25","2.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004308","7.711","0.001","12.562","0.002","13.989","0.002","90","","90","","90","","1355.1","0.3","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","PA1169","Benharref, A.; El Jamili, H.; Lassaba, E.; Giorgi, M.; Pierrot, M.","2β,3β-Epoxy-α-<i>trans</i>-himachalene and 2β,3β,11α,15α-Diepoxy-<i>trans</i>-himachalane Derivatives","Acta Crystallographica Section C","1995","51","12","2658","2661","10.1107/S0108270195009024","","","0.71073","MoKα","","","0.05","","","0.05","","","","","0.712","0.712","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004316","6.574","0.001","16.083","0.003","18.257","0.003","90","","90","","90","","1930.3","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 -","- C22 H29 N3 -","- C88 H116 N12 -","4","1","SX1000","Wolska, I.; Borowiak, T.","2-Cyano-2-phenylsparteine","Acta Crystallographica Section C","1995","51","12","2716","2718","10.1107/S0108270195007931","","","1.54178","CuKα","","0.0728","0.047","","0.1229","0.1229","","","","1.056","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004317","9.253","0.002","12.558","0.002","15.862","0.008","90","","90","","90","","1843.2","1.1","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Azido-N,N-diphenylcarbamoyl proline methyl ester","","- C19 H19 N5 O3 -","- C19 H19 N5 O3 -","- C76 H76 N20 O12 -","4","1","SZ1008","Lynch, V. M.; Hulme, C.; Magnus, P.; Davis, B. E.","Novel 2- and 5-Azido-<i>N</i>-(diphenylcarbamoyl)proline Methyl Esters. Examples of a Novel Proline Oxidation","Acta Crystallographica Section C","1995","51","12","2598","2601","10.1107/S0108270195010237","","","0.71073","MoKα","","0.151","0.0737","","0.0788","0.0632","","","","","1.508","1.508","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2004318","8.379","0.003","13.183","0.008","16.294","0.007","90","","90","","90","","1799.8","1.5","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis-5-Azido-N,N-diphenylcarbamoyl proline methyl ester","","- C19 H19 N5 O3 -","- C19 H19 N5 O3 -","- C76 H76 N20 O12 -","4","1","SZ1008","Lynch, V. M.; Hulme, C.; Magnus, P.; Davis, B. E.","Novel 2- and 5-Azido-<i>N</i>-(diphenylcarbamoyl)proline Methyl Esters. Examples of a Novel Proline Oxidation","Acta Crystallographica Section C","1995","51","12","2598","2601","10.1107/S0108270195010237","","","0.71073","MoKα","","0.0479","0.0385","","0.0433","0.0411","","","","","1.285","1.285","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2004324","8.281","0.002","12.084","0.003","14.491","0.005","90","","90","","90","","1450.1","0.7","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (S)-2-benzoyloxy-4-bromo-4-methylpentanoate","","- C14 H17 Br O4 -","- C14 H17 Br O4 -","- C56 H68 Br4 O16 -","4","1","TA1037","Shaw, J. P.; Tan, E. W.; Blackman, A. G.","Homochiral Methyl (<i>S</i>)-2-Benzoyloxy-4-bromo-4-methylpentanoate","Acta Crystallographica Section C","1995","51","12","2583","2584","10.1107/S0108270195008444","","","0.71073","MoKα","","0.0569","0.0418","","0.093","0.0874","","","","1.054","1.076","1.076","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004325","10.001","0.001","20.603","0.002","8.601","0.001","90","","90","","90","","1772.2","0.3","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","VJ1020","Thiruvalluvar, A.; Sankar Raja Raj, K.; Krishna Pillay, M.; Venkatasubramanian, K.","<i>N</i>-Benzoyl-2-phenyldecahydroquinolin-4-one, C~22~H~23~NO~2~","Acta Crystallographica Section C","1995","51","12","2641","2643","10.1107/S0108270195003702","","","1.5418","CuKα","","","0.037","","","0.038","","","","","1.18","1.18","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004340","6.9874","0.0004","10.647","0.002","27.0341","0.0016","90","","90","","90","","2011.2","0.4","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-methylthio-5-nitroso-6-N-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino- pyrimidin-4-(3H)-one","","- C16 H20 N4 O9 S -","- C16 H20 N4 O9 S -","- C64 H80 N16 O36 S4 -","4","1","AB1309","Cobo, J.; Melguizo, M.; Sánchez, A.; Nogueras, M.; Low, J. N.; Ferguson, G.","2-Methylthio-5-nitroso-6-<i>N</i>-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)amino-4(3<i>H</i>)-pyrimidinone","Acta Crystallographica Section C","1996","52","1","148","150","10.1107/S0108270195012595","","","0.7107","MoKα","","0.1538","0.0575","","0.1967","0.1578","","","","0.913","1.198","1.198","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004350","9.451","0.003","11.916","0.002","23.938","0.007","90","","90","","90","","2695.9","1.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(orthochlorophenyl) thiourea.","","- C13 H10 Cl2 N2 S -","- C13 H10 Cl2 N2 S -","- C104 H80 Cl16 N16 S8 -","8","2","AS1197","Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Janarthanan, N.; Ramadas, K.; Fun, H.-K.","1,3-Bis(2-chlorophenyl)thiourea","Acta Crystallographica Section C","1996","52","1","134","136","10.1107/S0108270195009693","","","0.71073","MoKα","","0.061","0.0449","","0.1162","0.1092","","","","0.964","1.03","1.03","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004356","6.16","0.004","16.172","0.006","17.307","0.007","90","","90","","90","","1724.1","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propandiamine","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","BM1029","Corden, J. P.; Errington, W.; Moore, P.; Wallbridge, M. G. H.","<i>N</i>,<i>N</i>'-Bis(2-hydroxybenzylidene)-2,2-dimethyl-1,3-propanediamine","Acta Crystallographica Section C","1996","52","1","125","127","10.1107/S0108270195009917","","","0.71073","MoKα","","0.1045","0.0378","","0.0773","0.064","","","","0.657","0.895","0.895","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004368","9.8502","0.0011","20.462","0.002","9.2056","0.0012","90","","90","","90","","1855.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Cyano-2-methylsparteine perchlorate","","- C17 H28 Cl N3 O4 -","- C17 H28 Cl N3 O4 -","- C68 H112 Cl4 N12 O16 -","4","1","CF1028","Kubicki, M.; Borowiak, T.; Boczoń, Wł.","2-Cyano-2-methylsparteine Perchlorate","Acta Crystallographica Section C","1996","52","1","226","228","10.1107/S0108270195011231","","","1.54178","CuKα","","0.055","0.055","","0.148","0.148","","","","1.055","1.055","1.055","","","","","has coordinates,has disorder,has Fobs","176759","2020-10-21","18:00:00",""
"2004373","7.0549","0.001","12.4741","0.001","14.1928","0.001","90","","90","","90","","1249","0.2","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","CR1177","Moreno Fuquen, R.; De Almeida Santos, R. H.; Lechat, J. R.","The 1:1 Complex Formed by 4-Nitropyridine <i>N</i>-Oxide and 4-Aminobenzoic Acid","Acta Crystallographica Section C","1996","52","1","220","222","10.1107/S0108270195010262","","","0.71073","MoKα","","0.0665","0.0448","","0.131","0.1134","","","","1.83","1.796","1.796","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004374","9.302","0.0008","14.08","0.001","14.1587","0.0012","90","","90","","90","","1854.4","0.3","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-O-Acetyl-7,8-dihydromorphine-6-O-sulfate","","- C19 H23 N O7 S -","- C19 H23 N O7 S -","- C76 H92 N4 O28 S4 -","4","1","CR1191","Brock, C. P.; Kottayil, S.; Butterfield, D. A.; Crooks, P. A.","A Dihydromorphine-6-<i>O</i>-sulfate","Acta Crystallographica Section C","1996","52","1","122","125","10.1107/S0108270195010250","","","0.71073","MoKα","","0.1287","0.0419","","0.1224","0.0994","","","","1.007","1.163","1.163","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004384","8.016","0.001","11.552","0.001","14.409","0.002","90","","90","","90","","1334.3","0.3","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N2 O3 -","- C12 H20 N2 O3 -","- C48 H80 N8 O12 -","4","1","HA1110","Charalambous, J.; Thomas, T. A.; Carugo, O.; Castellani, C. B.","5-Hexylamino-1,2-benzoquinone 2-Oxime Monohydrate","Acta Crystallographica Section C","1996","52","1","150","152","10.1107/S0108270195003696","","","1.54184","CuKα","","","0.046","","","0.023","","","","","1.12","1.12","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2004389","7.28","0.002","10.391","0.003","22.329","0.007","90","","90","","90","","1689.1","0.9","295","1","295","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[Pentaaqua(2-aminopyrimidine)nickel(II)]2-aminopyrimidine","","- C8 H20 N6 Ni O9 S -","- C8 H20 N6 Ni O9 S -","- C32 H80 N24 Ni4 O36 S4 -","4","1","HR1034","Lumme, P. O.; Knuuttila, H.; Lindell, E.","Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)","Acta Crystallographica Section C","1996","52","1","51","56","10.1107/S0108270195001338","","","0.71069","MoKα","","0.052","0.034","","0.049","0.036","","","","3.275","2.48","2.48","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004424","5.916","0.001","13.112","0.003","20.253","0.004","90","","90","","90","","1571","0.5","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-N-[(2S)-2-(tert-butoxycarbonylamino)propylidene]benzylamine N-oxide","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","NA1197","Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.","Structures of Chiral Nitrones. II. (<i>Z</i>)-<i>N</i>-[(2<i>S</i>)-2-(<i>tert</i>-Butoxycarbonylamino)propylidene]benzylamine <i>N</i>-Oxide","Acta Crystallographica Section C","1996","52","1","218","219","10.1107/S0108270195009358","","","0.71073","MoKα","","0.0524","0.0416","","0.1078","0.0999","","","","1.07","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004434","9.375","0.005","20.676","0.005","8.866","0.005","90","","90","","90","","1718.6","1.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2:3,4-Di-O-isopropylidene-6-O-methacryloyl-a-D-galactopyranose","","- C16 H24 O7 -","- C16 H24 O7 -","- C64 H96 O28 -","4","1","SX1002","Ojala, W. H.; Gleason, W. B.; Connelly, M. P. E.; Wallis, R. R.; Kremer, J. J.","Polymerizable Methacrylate Carbohydrate Derivatives: 1,2:3,4-Di-<i>O</i>-isopropylidene-6-<i>O</i>-methacryloyl-α-<small>D</small>-galactopyranose and 1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methacryloyl-α-<small>D</small>-glucofuranose","Acta Crystallographica Section C","1996","52","1","155","158","10.1107/S0108270195009991","","","1.54178","CuKα","","0.0868","0.0406","","0.1239","0.1032","","","","1.026","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004436","7.121","0.004","35.583","0.007","5.238","0.004","90","","90","","90","","1327.2","1.3","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 -","- C13 H14 N O5 -","- C52 H56 N4 O20 -","4","1","SZ1005","Gomez de Anderez, D.; Gil, H.; Helliwell, M.; Mata Segreda, J.","<i>N</i>-(<i>p</i>-Tolyl)-amine-1-<small>D</small>-fructose from a Small Crystal","Acta Crystallographica Section C","1996","52","1","252","254","10.1107/S0108270195011255","","","1.54178","CuKα","","","0.091","","","0.095","","","","","2.44","2.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004437","9.851","0.001","10.563","0.002","12.933","0.003","90","","90","","90","","1345.8","0.4","292","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","SZ1016","De Simone, C. A.; Goulart, M. O. F.; Pereira, M. A.; Zukerman-Schpector, J.","Emmotin 2: (2<i>R</i>,3<i>S</i>)-2,6-Dihydroxy-3-(1-hydroxy-1-methylethyl)-8-methyl-1,2,3,4-tetrahydronaphthalene-5-carbaldehyde","Acta Crystallographica Section C","1996","52","1","117","118","10.1107/S0108270195010158","","","0.71073","MoKα","","","0.0452","","","0.0493","","","","","1.41","1.41","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004445","16.305","0.007","10.366","0.004","6.9","0.004","90","","90","","90","","1166.2","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(6SR,7RS,8SR)-7-methyl-8-phenyl-3-oxabicyclo[4.2.0]oct-1-en-8-ol","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","SZ1044","Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.","Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran","Acta Crystallographica Section C","1996","52","1","237","244","10.1107/S0108270195010134","","","1.54056","CuKα","","0.064","0.0429","","0.134","0.0975","","","","1.28","1.107","1.107","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004453","10.181","0.002","14.635","0.002","16.076","0.002","90","","90","","90","","2395.3","0.6","292","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O5 -","- C27 H34 O5 -","- C108 H136 O20 -","4","1","VJ1018","Sekar, K.; Parthasarathy, S.; Schenk, H.; Mondon, A.; Epe, B.","Tricoccin S~43~","Acta Crystallographica Section C","1996","52","1","110","112","10.1107/S0108270195001533","","","1.5418","CuKα","","","0.064","","","0.078","","","","","1.442","1.442","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004473","15.379","0.001","19.324","0.001","3.915","0.001","90","","90","","90","","1163.5","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-phenylquinoline-4-carboxylic acid","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","BK1182","Blackburn, A. C.; Dobson, A. J.; Gerkin, R. E.","2-Phenylquinoline-4-carboxylic Acid","Acta Crystallographica Section C","1996","52","2","409","411","10.1107/S0108270195013217","","","0.71073","MoKα","","","0.034","","","0.04","","","","","1.42","1.42","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004486","7.7383","0.0017","15.098","0.002","22.515","0.005","90","","90","","90","","2630.5","0.9","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H45 Na O6 -","- C27 H46 Na O6 -","- C108 H184 Na4 O24 -","4","1","CR1178","Wahle, M. C.; Stowell, J. G.; Byrn, S. R.","Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate Ethanolate (Sodium Cholate Ethanolate)","Acta Crystallographica Section C","1996","52","2","325","328","10.1107/S0108270195009152","","","1.54184","CuKα","","","0.047","","","0.109","","","","","1.085","1.085","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004513","9.463","0.005","42.025","0.004","9.089","0.004","90","","90","","90","","3615","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O7 -","- C17 H23 N O7 -","- C136 H184 N8 O56 -","8","2","KA1127","Böcskei, Z.; Keserü, G. M.; Menyhárd, D.; Huszthy, P.; Bradshaw, J. S.; Izatt, R. M.","Conformational Analysis of (<i>S</i>,<i>S</i>)-Dimethyldiketopyridino-18-crown-6","Acta Crystallographica Section C","1996","52","2","463","466","10.1107/S0108270195011346","","","1.5418","CuKα","","0.1589","0.0574","","0.3983","0.1682","","","","1.155","1.282","1.282","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004523","7.58","0.001","7.912","0.001","17.423","0.003","90","","90","","90","","1044.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Dimethyl-3-tolyl thiourea.","","- C10 H14 N2 S -","- C10 H14 N2 S -","- C40 H56 N8 S4 -","4","1","MU1206","Ramnathan, A.; Sivakumar, K.; Janarthanan, N.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","Unsymmetrically Substituted Thioureas. 1,1-Dimethyl-3-<i>o</i>-tolylthiourea and 1,1-Diethyl-3-<i>o</i>-tolylthiourea","Acta Crystallographica Section C","1996","52","2","411","414","10.1107/S0108270195010778","","","0.71073","MoKα","","0.066","0.0402","","0.0919","0.0849","","","","0.887","1.016","1.016","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004524","8.436","0.001","8.488","0.001","17.419","0.003","90","","90","","90","","1247.3","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Diethyl-3-tolyl thiourea.","","- C12 H18 N2 S -","- C12 H18 N2 S -","- C48 H72 N8 S4 -","4","1","MU1206","Ramnathan, A.; Sivakumar, K.; Janarthanan, N.; Meerarani, D.; Ramadas, K.; Fun, H.-K.","Unsymmetrically Substituted Thioureas. 1,1-Dimethyl-3-<i>o</i>-tolylthiourea and 1,1-Diethyl-3-<i>o</i>-tolylthiourea","Acta Crystallographica Section C","1996","52","2","411","414","10.1107/S0108270195010778","","","0.71073","MoKα","","0.032","0.0291","","0.0792","0.0774","","","","1.048","1.068","1.068","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004534","14.542","0.002","16.565","0.0002","19.334","0.002","90","","90","","90","","4657.3","0.8","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 O10 -","- C52 H50 O10 -","- C208 H200 O40 -","4","1","PT1015","Shalaby, M. A.; Fronczek, F. R.; Voll, R. J.; Watkins, S. F.; Younathan, E. S.","2,3,4,5-Tetra-<i>O</i>-acetyl-1,6-di-<i>O</i>-(triphenylmethyl)-<small>D</small>-mannitol","Acta Crystallographica Section C","1996","52","2","381","383","10.1107/S0108270195013618","","","1.54184","CuKα","","","0.034","","","0.046","","","","","2.273","2.273","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004551","4.8061","0.001","13.262","0.004","14.195","0.004","90","","90","","90","","904.8","0.4","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Aza-9(10H)-acridone","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C48 H32 N8 O4 -","4","1","TA1053","Clark, G. R.; Squire, C. J.","4-Aza-9(10<i>H</i>)-acridone","Acta Crystallographica Section C","1996","52","2","366","368","10.1107/S0108270195011589","","","0.71069","MoKα","","0.135","0.073","","0.2109","0.1637","","","","1.108","1.178","1.178","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004589","14.428","0.006","12.885","0.006","7.999","0.005","90","","90","","90","","1487.1","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tetrachlorobis(tetrahydrofuran)zirconium","Tetrachlorobis(tetrahydrofuran)zirconium","","- C8 H16 Cl4 O2 Zr -","- C8 H16 Cl4 O2 Zr -","- C32 H64 Cl16 O8 Zr4 -","4","1","CF1019","Eberle, M.; Röhr, C.","Tetrachlorobis(tetrahydrofuran-<i>O</i>)zirconium(IV)","Acta Crystallographica Section C","1996","52","3","566","568","10.1107/S0108270195011188","","","0.7107","MoKα","","0.0792","0.0686","","0.1965","0.1879","","","","1.096","1.151","1.151","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004612","5.809","0.001","15.514","0.003","13.883","0.002","90","","90","","90","","1251.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C56 H48 O12 S4 -","4","1","HU1074","Hellier, D. G.; Motevalli, M.","<i>cis</i>,<i>trans</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide, <i>cis</i>,<i>cis</i>-4,5-Diphenyl-1,3,2-dioxathiolane 2-Oxide and 4,4-Diphenyl-1,3,2-dioxathiolane 2-Oxide","Acta Crystallographica Section C","1996","52","3","739","743","10.1107/S0108270195012984","","","0.71069","MoKα","","0.073","0.0286","","0.082","0.0719","","","","0.921","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004618","6.078","0.001","9.996","0.002","23.888","0.004","90","","90","","90","","1451.3","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 O6 -","- C12 H24 O6 -","- C48 H96 O24 -","4","1","JZ1071","Berens, U.; Raabe, G.","(2<i>R</i>,3<i>R</i>,5<i>S</i>,6<i>S</i>)-2,3-Diethoxy-5,6-bis(hydroxymethyl)-2,3-dimethyl-1,4-dioxane","Acta Crystallographica Section C","1996","52","3","669","672","10.1107/S0108270195012194","","","0.71069","MoKα","","","0.054","","","0.048","","","","","2.284","2.284","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004625","11.11","0.007","13.428","0.005","15.038","0.005","90","","90","","90","","2243.4","1.8","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-n-Butyl-N,N-dimethylammonio Acetic Acid Bromide","","- C8 H18 Br N O2 -","- C8 H18 Br N O2 -","- C64 H144 Br8 N8 O16 -","8","2","KA1118","Rudert, R.; Schulz, B.; Reck, G.; Vollhardt, D.; Kriwanek, J.","<i>n</i>-Butyl(carboxymethyl)dimethylammonium Bromide and (Carboxymethyl)ethyldimethylammonium Bromide","Acta Crystallographica Section C","1996","52","3","648","652","10.1107/S0108270195011541","","","0.71073","MoKα","","","0.053","","","0.052","","","","","2.19","2.19","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2004627","9.125","0.002","9.241","0.002","10.532","0.002","90","","90","","90","","888.1","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","hydrazinium hexafluorogallate","","- F6 Ga H15 N6 -","- F6 Ga H15 N6 -","- F24 Ga4 H60 N24 -","4","1","KA1142","Meden, A.; Siftar, J.; Golic, L.","Hydrazinium(1+) Hexafluorogallate(III) and Hydrazinium(2+) Aquapentafluorogallate(III)","Acta Crystallographica Section C","1996","52","3","493","496","10.1107/S0108270195011310","","","0.71069","MoKα","","0.035","0.033","","0.019","0.019","","","","1.036","1.024","1.024","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004631","13.078","0.002","14.721","0.002","15.437","0.001","90","","90","","90","","2972","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tris(2-aminoethyl)amine nickel(II) acetate perchlorate","","- C8 H21 Cl N4 Ni O6 -","- C8 H21 Cl N4 Ni O6 -","- C64 H168 Cl8 N32 Ni8 O48 -","8","2","KH1049","Fun, H.-K.; Yip, B.-C.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.","(Acetato-<i>O</i>,<i>O</i>')[tris(2-aminoethyl)amine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) Perchlorate","Acta Crystallographica Section C","1996","52","3","509","512","10.1107/S0108270195010389","","","0.71073","MoKα","","0.0394","0.0375","","0.1078","0.1064","","","","1.045","1.061","1.061","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004649","6.178","0.001","13.787","0.002","24.819","0.006","90","","90","","90","","2114","0.7","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,8-Dimethyl-2-[(3-furoyl)aminomethyl]-5-phenyl- 2,3-dihydro-1H-1,4-benzodiazepin-4-ium Chloride","","- C23 H24 Cl N3 O2 -","- C23 H24 Cl N3 O2 -","- C92 H96 Cl4 N12 O8 -","4","1","NA1198","Blaton, N. M.; Peeters, O. M.; Meurisse, R. L.; De Ranter, C. J.","2-[(3-Furoyl)aminomethyl]-1,7-dimethyl-5-phenyl-2,3-dihydro-1<i>H</i>-1,4-benzodiazepin-4-ium Chloride","Acta Crystallographica Section C","1996","52","3","691","692","10.1107/S0108270195012893","","","0.71073","MoKα","","0.0824","0.0407","","0.1109","0.1109","","","","1.03","1.03","1.03","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004653","10.186","0.004","23.842","0.004","6.62","0.003","90","","90","","90","","1607.7","1","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Sodium (ethylenediaminetetraacetato)gallate(III) trihydrate","","- C10 H18 Ga N2 Na O11 -","- C10 Ga N2 Na O11 -","- C40 Ga4 N8 Na4 O44 -","4","1","OH1086","Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.","Sodium (Ethylenediaminetetraacetato)gallate(III) Trihydrate","Acta Crystallographica Section C","1996","52","3","573","575","10.1107/S0108270195012017","","","0.7107","MoKα","","","0.055","","","0.063","","","","","2.78","2.78","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004659","23.85","0.02","6.08","0.01","12.14","0.02","90","","90","","90","","1760","4","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F6 O4 -","- C17 H14 F6 O4 -","- C68 H56 F24 O16 -","4","1","PA1209","Hamzaoui, F.; Baert, F.","A New Pyrethroid Insecticide, RU41414","Acta Crystallographica Section C","1996","52","3","689","690","10.1107/S0108270195013102","","","0.71073","MoKα","","","0.05","","","0.05","","","","","1.07","1.07","","","","","has coordinates","191053","2020-10-21","18:00:00",""
"2004663","8.758","0.002","10.01","0.004","28.466","0.006","90","0.02","90","0.02","90","0.02","2495.5","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","1","TA1034","Cambie, R. C.; Lal, A. R.; Rickard, C. E. F.","A Sesterterpene Lactone from <i>Petrosaspongia nigra</i> sp. nov.","Acta Crystallographica Section C","1996","52","3","709","711","10.1107/S0108270195010857","","","0.71069","MoKα","","0.0984","0.0564","","0.2345","0.1183","","","","1.102","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004666","12.575","0.002","14.454","0.003","18.365","0.004","90","","90","","90","","3338","1.1","293","","293.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 F6 Fe P4 -","- C33 H34 F6 Fe P4 -","- C132 H136 F24 Fe4 P16 -","4","1","TA1051","Pabel, M.; Willis, A. C.; Wild, S. B.","[<i>R</i>-(<i>R</i>*,<i>R</i>*)]-(η^5^-Cyclopentadienyl)[1,2-phenylenebis(methylphenylphosphine-<i>P</i>)](1-phenylphosphirane-<i>P</i>)iron(II) Hexafluorophosphate","Acta Crystallographica Section C","1996","52","3","557","559","10.1107/S0108270195011784","","","0.7107","MoKα","","","0.056","","","0.032","","","","","1.96","1.96","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004680","8.826","0.001","9.464","0.001","35.02","0.004","90","","90","","90","","2925.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Gly-Gly-(L)-Phe-(D)-Leu-OMe dihydrate","","","- C25 H42 N4 O9 -","- C25 H42 N4 O9 -","- C100 H168 N16 O36 -","4","1","AS1206","Fenude, E.; Casalone, G.","Three Protected Tetrapeptides","Acta Crystallographica Section C","1996","52","4","973","978","10.1107/S0108270195013345","","","0.71073","MoKα","","0.0841","0.0477","","0.1071","0.0922","","","","1.055","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004681","8.919","0.002","9.353","0.001","35.408","0.004","90","","90","","90","","2953.7","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Boc-Gly-Gly-(L)-Phe-(D)-Met-OMe dihydrate","","","- C24 H40 N4 O9 S -","- C24 H40 N4 O9 S -","- C96 H160 N16 O36 S4 -","4","1","AS1206","Fenude, E.; Casalone, G.","Three Protected Tetrapeptides","Acta Crystallographica Section C","1996","52","4","973","978","10.1107/S0108270195013345","","","0.71073","MoKα","","0.0762","0.0507","","0.1316","0.116","","","","1.006","1.033","1.033","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004682","8.879","0.001","9.344","0.001","35.674","0.004","90","","90","","90","","2959.7","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Gly-Gly-(D)-Phe-(L)-Nle-OMe dihydrate","","","- C25 H42 N4 O9 -","- C25 H42 N4 O9 -","- C100 H168 N16 O36 -","4","1","AS1206","Fenude, E.; Casalone, G.","Three Protected Tetrapeptides","Acta Crystallographica Section C","1996","52","4","973","978","10.1107/S0108270195013345","","","0.71073","MoKα","","0.0808","0.0455","","0.1043","0.0917","","","","1.018","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004709","7.643","0.001","9.8349","0.0012","18.629","0.002","90","","90","","90","","1400.3","0.3","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ferrocenyl-2-phenylethanedione","","- C18 H14 Fe O2 -","- C18 H14 Fe O2 -","- C72 H56 Fe4 O8 -","4","1","CF1043","Glidewell, C.; Gottfried, M. J.; Trotter, J.; Ferguson, G.","1-Ferrocenyl-2-phenylethanedione","Acta Crystallographica Section C","1996","52","4","773","775","10.1107/S0108270195015034","","","0.7107","MolybdenumKα","","0.0561","0.0319","","0.0712","0.0658","","","","0.977","1.071","1.071","","","","","has coordinates","192282","2020-10-21","18:00:00",""
"2004726","5.934","0.002","9.237","0.002","17.512","0.005","90","","90","","90","","959.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","JLG-244","2,4-dinitro-cis-1,5-dimethyl-2,4-diazabicyclo[3,2.0]heptan-3-one","","- C7 H10 N4 O5 -","- C7 H10 N4 O5 -","- C28 H40 N16 O20 -","4","1","FG1098","Deschamps, J. R.; George, C.; Gilardi, R. D.; Gagnon, J. L.; Zajac, Jnr, W. W.","<i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.2.0]heptan-3-one and <i>cis</i>-1,5-Dimethyl-2,4-dinitro-2,4-diazabicyclo[3.1.0]hexan-3-one","Acta Crystallographica Section C","1996","52","4","993","995","10.1107/S010827019501393X","","","0.71073","MoKα","","0.0429","0.0333","","0.0904","0.0831","","","","1.071","1.079","1.079","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004739","7.565","0.001","12.046","0.001","13.701","0.001","90","","90","","90","","1248.5","0.2","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 Cl2 Pd S3 -","- C7 H14 Cl2 Pd S3 -","- C28 H56 Cl8 Pd4 S12 -","4","1","HL1041","Lee, G.-H.; Tzeng, B.-C.","Palladium Complexes of 1,4,7-Trithiacyclodecane","Acta Crystallographica Section C","1996","52","4","879","882","10.1107/S0108270193013769","","","0.71069","MoKα","","","0.026","","","0.026","","","","","1.16","1.16","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004755","7.89","0.001","11.752","0.001","17.028","0.001","90","","90","","90","","1578.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-tert-Butyloxycarbonyl-6(S)-hydroxymethyl-3(S)-methylethyl- piperazin-2-one","","- C13 H24 N2 O4 -","- C13 H24 N2 O4 -","- C52 H96 N8 O16 -","4","1","JZ1074","Kolter, T.; Rübsam, F.; Giannis, A.; Nieger, M.","4-<i>tert</i>-Butyloxycarbonyl-6(<i>S</i>)-(hydroxymethyl)-3(<i>S</i>)-(1-methylethyl)piperazin-2-one","Acta Crystallographica Section C","1996","52","4","978","980","10.1107/S0108270195013278","","","1.54178","CuKα","","0.0921","0.0674","","0.2097","0.1845","","","","1.042","1.061","1.061","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004766","5.938","0.001","10.206","0.002","16.447","0.004","90","","90","","90","","996.7","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","KA1134","Flasche, M.; Raabe, G.","Two Diastereomers of Benzylidene-<small>D</small>-erythronolactone","Acta Crystallographica Section C","1996","52","4","895","899","10.1107/S0108270195012443","","","1.54179","CuKα","","","0.036","","","0.036","","","","","5.15","5.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004767","5.7","0.0007","10.7002","0.0009","16.142","0.001","90","","90","","90","","984.52","0.16","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","KA1134","Flasche, M.; Raabe, G.","Two Diastereomers of Benzylidene-<small>D</small>-erythronolactone","Acta Crystallographica Section C","1996","52","4","895","899","10.1107/S0108270195012443","","","1.54179","CuKα","","","0.035","","","0.03","","","","","3.877","3.877","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004770","10.433","0.002","33.313","0.001","9","0.004","90","","90","","90","","3128","1.5","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-O-p-bromobenzoyl-salvileucolide-methylester","","","- C33 H43 Br O7 -","- C33 H43 Br O7 -","- C132 H172 Br4 O28 -","4","1","KA1151","Linden, A.; Juch, M.; Rüedi, P.","Absolute Configuration of 6-<i>O</i>-<i>p</i>-Bromobenzoylsalvileucolide Methyl Ester","Acta Crystallographica Section C","1996","52","4","933","935","10.1107/S0108270195014089","","","0.71069","MoKα","","0.1563","0.0511","","0.0433","0.036","","","","","1.458","1.458","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004788","6.11","0.001","14.106","0.001","16.609","0.0009","90","","90","","90","","1431.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-phenyl-4,5-dimethoxy-2,7,8,9-tetrahydroisoquinolinium","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C68 H76 N4 O8 -","4","1","NA1134","","X-ray Structure Investigations of Potential β-Blockers. II. 6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica C","1996","52","","1038","1040","10.1107/S0108270195013606","","","1.54178","CuKα","","0.0603","0.0429","","0.1221","0.1055","","","","1.276","1.275","1.275","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004807","5.892","0.003","8.48","0.003","11.509","0.009","90","","90","","90","","575","0.6","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5-Amino-1,2-dimethylimidazole","5-Amino-1,2-dimethylimidazole","","- C5 H9 N3 -","- C5 H9 N3 -","- C20 H36 N12 -","4","1","PA1207","Jones, R. H.; Lothian, A. P.; Ramsden, C. A.","5-Amino-1,2-dimethylimidazole","Acta Crystallographica Section C","1996","52","4","982","984","10.1107/S0108270195011711","","","0.71069","MoKα","","0.0862","0.0365","","0.0723","0.0569","","","","0.623","0.708","0.708","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004813","10.74","0.002","35.173","0.005","10.057","0.002","90","","90","","90","","3799.1","1.2","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 N4 O8 -","- C40 H44 N4 O8 -","- C160 H176 N16 O32 -","4","1","TA1063","Iijima, K.; Irikawa, H.","Trichotomine Dimethyl Ester","Acta Crystallographica Section C","1996","52","4","1003","1006","10.1107/S0108270195015344","","","1.54178","CuKα","","","0.0493","","","0.0514","","","","","1","1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004817","8.2498","0.0009","15.046","0.002","16.45","0.001","90","","90","","90","","2041.9","0.4","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H29 Ca Cl O16 -","- C12 H29 Ca Cl O16 -","- C48 H116 Ca4 Cl4 O64 -","4","1","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.0515","","","0.0595","","","","","0.788","0.788","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004818","8.7037","0.0009","8.7037","0.0009","21.055","0.002","90","","90","","90","","1595","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 K O12 -","- C12 H21 K O12 -","- C48 H84 K4 O48 -","4","1","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.0409","","","0.0492","","","","","0.823","0.823","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004819","9.2358","0.0009","10.4021","0.0006","16.7994","0.0005","90","","90","","90","","1613.95","0.19","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 Na O13 -","- C12 H23 Na O13 -","- C48 H92 Na4 O52 -","4","1","AB1260","Wieczorek, M. W.; Błaszczyk, J.; Król, B. W.","Effects of Cation Interactions on Sugar Anion Conformation in Complexes of Lactobionate and Gluconate with Calcium, Sodium or Potassium","Acta Crystallographica Section C","1996","52","5","1193","1198","10.1107/S0108270195011930","","","1.54184","CuKα","","","0.032","","","0.0574","","","","","1.358","1.358","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004829","11.934","0.002","16.344","0.004","24.17","0.002","90","","90","","90","","4714.3","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N,N-1,3-Propylenebis(salicylaldimine)bispyridinecobalt(III) tetraphenylborate pyridine solvate.","","- C56 H51 B Co N5 O2 -","- C56 H51 B Co N5 O2 -","- C224 H204 B4 Co4 N20 O8 -","4","1","AS1219","Zhu, D.-R.; You, X.-Z.; Shi, X.-H.; Fun, H.-K.; Sivakumar, K.","[<i>N</i>,<i>N</i>'-1,3-Propylenebis(salicylaldimine)]bis(pyridine)cobalt(III) Tetraphenylborate Pyridine Solvate","Acta Crystallographica Section C","1996","52","5","1146","1148","10.1107/S0108270196000297","","","0.71073","MoKα","","0.0735","0.0453","","0.1184","0.1021","","","","0.932","1.071","1.071","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004838","8.366","0.001","23.193","0.002","6.854","0.001","90","","90","","90","","1329.9","0.3","294.2","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 S2 -","- C13 H20 N2 S2 -","- C52 H80 N8 S8 -","4","1","BK1172","Hussain, Z.; Fleming, F. F.; Norman, R. E.; Chang, S.-C.","(9<i>S</i>,9a<i>R</i>)-1,3,4,6,7,8,9,9a-Octahydro-2<i>H</i>-quinolizine-1-spiro-2'-(1',3'-dithiane)-9-carbonitrile","Acta Crystallographica Section C","1996","52","5","1296","1298","10.1107/S0108270195014016","","","0.7107","MoKα","","","0.0316","","","0.0278","","","","","1.646","1.646","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004839","9.045","0.001","29.148","0.003","8.6766","0.0003","90","","90","","90","","2287.5","0.4","163","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N2 O5 -","- C23 H34 N2 O5 -","- C92 H136 N8 O20 -","4","1","BK1181","Khalil, S.; Hossain, M. B.; van der Helm, D.; Alam, M.; Sanduja, R.","A Pyrazoline Derivative of Eunicin Acetate","Acta Crystallographica Section C","1996","52","5","1272","1274","10.1107/S0108270195016003","","","1.54184","CuKα","","","0.045","","","0.048","","","","","1.5","1.5","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004845","10.055","0.002","14.974","0.004","17.825","0.005","90","","90","","90","","2683.8","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hippuryl-L-Histidyl-L-Leucine","","- C21 H37 N5 O10 -","- C21 H37 N5 O10 -","- C84 H148 N20 O40 -","4","1","BK1197","Vrielink, A.; Obel-Jorgensen, A.; Codding, P. W.","Hippuryl-<small>L</small>-histidyl-<small>L</small>-leucine, a Substrate for Angiotensin Converting Enzyme","Acta Crystallographica Section C","1996","52","5","1300","1302","10.1107/S0108270195016180","","","0.71069","MoKα","","0.1192","0.0671","","0.1885","0.1521","","","","0.986","0.986","0.986","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004861","5.466","0.001","6.128","0.001","39.841","0.009","90","","90","","90","","1334.5","0.4","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dinaphtho[2,1-b.2',3'-d]furan-8-13-dione","","- C20 H10 O3 -","- C20 H10 O3 -","- C80 H40 O12 -","4","1","CF1045","Farrugia, L. J.; Scott, C. F.; Peacock, R. D.","A Naphthofuranoquinone","Acta Crystallographica Section C","1996","52","5","1310","1311","10.1107/S010827019501660X","","","0.71073","MoKα","","0.076","0.0428","","0.14","0.1016","","","","1.088","1.051","1.051","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004868","5.76","0.001","11.043","0.002","18.974","0.001","90","","90","","90","","1206.9","0.3","289","2","289","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,5-anhydro-2,3-dideoxy-2-(guanin-9-yl)-D-arabino-hexitol","","- C11 H15 N5 O4 -","- C11 H15 N5 O4 -","- C44 H60 N20 O16 -","4","1","DE1015","Declercq, R.; Herdewijn, P.; Van Meervelt, L.","1,5-Anhydro-2,3-dideoxy-2-(guanin-9-yl)-<small>D</small>-<i>arabino</i>-hexitol","Acta Crystallographica Section C","1996","52","5","1213","1215","10.1107/S0108270195015101","","","1.54178","CuKα","","0.0366","0.0359","","0.0968","0.0961","","","","1.086","1.096","1.096","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004871","10.197","0.002","9.086","0.002","17.807","0.005","90","","90","","90","","1649.8","0.7","291","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 B N2 P -","- C17 H22 B N2 P -","- C68 H88 B4 N8 P4 -","4","1","DU1093","Brunel, J. M.; Buono, G.; Baldy, A.; Feneau-Dupont, J.; Declercq, J.-P.","(2<i>R</i>,5<i>S</i>)-2,3-Diphenyl-1,3,2-diazaphosphabicyclo[3.3.0]octane‒Borane","Acta Crystallographica Section C","1996","52","5","1316","1317","10.1107/S0108270195013631","","","1.5418","CuKα","","","0.05","","","0.061","","","","","0.47","0.47","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2004893","13.926","0.002","32.8","0.004","6.283","0.004","90","","90","","90","","2869.9","1.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C120 H192 O20 -","4","1","KA1164","Böcskei, Z.; Szendi, Z.; Sweet, F.","A Side-Chain Substituted Cholesterol Analog","Acta Crystallographica Section C","1996","52","5","1302","1304","10.1107/S0108270195016295","","","1.5418","CuKα","","0.2176","0.0705","","0.3207","0.1907","","","","1.051","1.2","1.2","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004926","10.943","0.003","15.861","0.004","27.756","0.007","90","","90","","90","","4818","2","293","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 B Br F4 O P2 Pt -","- C51 B Br F4 O2 P2 Pt -","- C204 B4 Br4 F16 O8 P8 Pt4 -","4","1","SZ1018","Klosin, J.; Jones, W. M.; Abboud, K. A.","Two Forms of Bromo(cycloheptatrienylidene)bis(triphenylphosphine)platinum(II)","Acta Crystallographica Section C","1996","52","5","1101","1104","10.1107/S010827019501016X","","","0.71073","MoKα","","","0.0646","","","0.0736","","","","","2.05","2.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004930","8.075","0.003","8.382","0.002","22.978","0.007","90","","90","","90","","1555.3","0.8","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2S,4R)-2-benzoyloxy-4-methoxy-5-(1-methylethyl)-6,8- dioxabicyclo[3.2.1]octane","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","TA1065","Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H.","(1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane","Acta Crystallographica Section C","1996","52","5","1274","1277","10.1107/S0108270195015964","","","0.71069","MoKα","","0.0688","0.0524","","0.1316","0.1231","","","","1.041","1.11","1.11","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004931","5.934","0.003","6.907","0.003","32.751","0.018","90","","90","","90","","1342.3","1.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,6-anhydro-4-O-benzyl-3-deoxy-4-C-methyl-2-O-methyl-β-D-ribo-hexopyranose","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","TA1065","Gainsford, G. J.; Tyler, P. C.; Furneaux, R. H.","(1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-5-(1-methylethyl)-6,8-dioxabicyclo[3.2.1]octane and (1<i>R</i>,2<i>S</i>,4<i>R</i>)-2-Benzyloxy-4-methoxy-2-methyl-6,8-dioxabicyclo[3.2.1]octane","Acta Crystallographica Section C","1996","52","5","1274","1277","10.1107/S0108270195015964","","","0.71069","MoKα","","0.0969","0.0585","","0.1374","0.1131","","","","0.983","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004942","6.9936","0.0006","13.1255","0.0012","17.988","0.006","90","","90","","90","","1651.2","0.6","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diiodobis(phenylsulfonyl)methane","","- C13 H10 I2 O4 S2 -","- C13 H10 I2 O4 S2 -","- C52 H40 I8 O16 S8 -","4","1","AB1343","Glidewell, C.; Ferguson, G.; Nikas, S.; Varvoglis, A.","Accurate Redetermination of Diiodobis(phenylsulfonyl)methane, (PhSO~2~)~2~CI~2~","Acta Crystallographica Section C","1996","52","6","1488","1490","10.1107/S0108270195016647","","","0.7107","MolybdenumKα","","0.0964","0.0481","","0.1115","0.1001","","","","0.961","1.125","1.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2004944","7.386","0.001","11.81","0.001","17.197","0.002","90","","90","","90","","1500.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","p-N,N-Dimethylaminobenzaldehyde Isonicotinylhydrazone Monohydrate.","","- C15 H18 N4 O2 -","- C15 H18 N4 O2 -","- C60 H72 N16 O8 -","4","1","AS1221","Fun, H.-K.; Sivakumar, K.; Lu, Z.-L.; Duan, C.-Y.; Tian, Y.-P.; You, X.-Z.","<i>p</i>-(Dimethylamino)benzaldehyde Isonicotinoylhydrazone Monohydrate","Acta Crystallographica Section C","1996","52","6","1505","1507","10.1107/S0108270196000303","","","0.71073","MoKα","","0.0536","0.0336","","0.0864","0.0789","","","","0.928","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2004948","6.752","0.001","12.44","0.001","16.251","0.001","90","","90","","90","","1365","0.2","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-isopipitzol","(1R,3R,6r,11R)-1,2,2,6,-tetramethyl-8-hydroxytriciclo[5.2.2.0^3,11^] undec-7-en-9,10-dione","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","BK1206","Hernández-Ortega, S.; Yuste, F.; Ortiz, B.; Barrios, H.; Sánchez-Obregón, R.; Walls, F.","β-Isopipitzol","Acta Crystallographica Section C","1996","52","6","1452","1454","10.1107/S0108270195015988","","","1.5418","CuKα","","0.0619","0.057","","0.0823","0.075","","","","","1.32","1.32","","","","","has coordinates","198488","2020-10-21","18:00:00",""
"2004979","12.2102","0.0008","31.464","0.002","8.368","0.002","90","","90","","90","","3214.8","0.8","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 N4 O4 -","- C31 H48 N4 O5 -","- C124 H192 N16 O20 -","4","1","FG1120","Coleman, J. E.; Patrick, B. O.; Andersen, R. J.; Rettig, S. J.","Hemiasterlin Methyl Ester","Acta Crystallographica Section C","1996","52","6","1525","1527","10.1107/S0108270195016556","","","1.5418","CuKα","","","0.0391","","","0.0375","","","","","2.207","2.207","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005011","6.086","0.001","11.99","0.001","23.831","0.002","90","","90","","90","","1739","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β-hydroxy-20methyl-pregn-5,14-dien-16-on(18‒20) lactone","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","JZ1101","Luger, P.; Weber, M.; Dung, N. X.; Ky, P. T.; The, C. L.","The New Pentacyclic Saponine Ecdysantherin [3β-Hydroxy-20-methylpregn-5,14-dien-16-one-(18‒20)-lactone] from <i>Ecdysanthera rosea Hook</i>. <i>et Arn</i>. (<i>Apocynaceae</i>) of Vietnam","Acta Crystallographica Section C","1996","52","6","1574","1576","10.1107/S0108270195017045","","","1.5418","CuKα,Nifilter","","0.0909","0.0436","","0.1323","0.1081","","","","1.052","1.103","1.103","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005020","10.749","0.006","13.068","0.005","22.643","0.009","90","","90","","90","","3181","2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 N2 O6 -","- C38 H43 N2 O7 -","- C152 H172 N8 O28 -","4","1","KA1162","Sivý, J.; Kettmann, V.; Kostálová, D.; Vrábel, V.","Oxyacanthine","Acta Crystallographica Section C","1996","52","6","1479","1482","10.1107/S0108270195015927","","","0.71073","MoKα","","","0.053","","0.1077","0.055","","","","1.228","0.86","0.86","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005031","8.37","0.003","8.8948","0.0014","23.441","0.004","90","","90","","90","","1745.2","0.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tris(η^5^-cyclopentadienyl)phenolatoneptunium(IV)","","- C21 H20 Np O -","- C21 H20 Np O -","- C84 H80 Np4 O4 -","4","1","MU1209","De Ridder, D. J. A.; Apostolidis, C.; Rebizant, J.; Kanellakopulos, B.; Maier, R.","Tris(η^5^-cyclopentadienyl)phenolatoneptunium(IV)","Acta Crystallographica Section C","1996","52","6","1436","1438","10.1107/S0108270195014582","","","0.71073","MoKα","","0.0334","0.033","","0.077","0.0765","","","","0.978","0.979","0.979","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005042","5.858","0.003","8.171","0.003","24.367","0.007","90","","90","","90","","1166.3","0.8","293","1","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-O-benzyl-β-L-arabinopyranose","1-O-benzyl-β-L-arabinopyranose","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","1","NS1003","Popek, T.; Mazurek, J.; Lis, T.","1-<i>O</i>-Benzyl-β-<small>L</small>-arabinopyranose, 1-<i>O</i>-Benzyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose and 1-<i>O</i>-Benzyl-2-<i>O</i>-benzoyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose","Acta Crystallographica Section C","1996","52","6","1558","1563","10.1107/S0108270195016143","","","1.5418","CuKα","","0.0426","0.0327","","0.095","0.0913","","","","1.041","1.102","1.102","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005052","7.556","0.002","11.587","0.002","20.255","0.004","90","","90","","90","","1773.4","0.7","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Boldine hydrochloride","[6a-(S)-1,10-dimethoxy-2-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,","","- C19 H22 Cl N O4 -","- C19 H22 Cl N O4 -","- C76 H88 Cl4 N4 O16 -","4","1","PT1029","Asencio, M.; Cassels, B. K.; Manríquez, V.; Boys, D.","(<i>S</i>)-1,10-Dimethoxy-2,9-dihydroxyaporphinium Chloride (Boldine Hydrochloride), C~19~H~22~NO~4~^+^.Cl^{-^}","Acta Crystallographica Section C","1996","52","6","1581","1583","10.1107/S0108270195016805","","","0.71073","MoKα","","0.0711","0.0409","","0.0512","0.0466","","","","","1.19","1.19","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005054","6.997","0.001","11.887","0.002","23.201","0.004","90","","90","","90","","1929.7","0.5","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","PT1035","Jiménez, M.; González de la Parra, M.; Melendez, E.; Campos, M. P.; Soriano-García, M.","Trinervinol","Acta Crystallographica Section C","1996","52","6","1458","1460","10.1107/S0108270195015599","","","1.54184","CuKα","","","0.037","","","0.056","","","","","1.256","1.256","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005055","8.664","0.002","12.314","0.004","19.763","0.004","90","","90","","90","","2108.5","0.9","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 O4 -","- C23 H36 O4 -","- C92 H144 O16 -","4","1","PT1039","Soriano-García, M.; Jiménez, M.; González de la Parra, M.; Navarro, A.; Campos, M. P.","Acetonide-3-trinervinone","Acta Crystallographica Section C","1996","52","6","1460","1462","10.1107/S0108270195015617","","","0.71073","MoKα","","","0.052","","","0.073","","","","","1.208","1.208","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005058","13.695","0.004","25.34","0.01","9.128","0.003","90","","90","","90","","3167.7","1.9","291","","291","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 N2 O9 P Si -","- C26 H39 N2 O9 P Si -","- C104 H156 N8 O36 P4 Si4 -","4","1","SX1005","McEldoon, W. L.; Swenson, D. C.; Wiemer, D. F.","(2'<i>S</i>,3'<i>S</i>,4'<i>R</i>)-5'-<i>O</i>-Benzoyl-3'-deoxy-3'β-diethylphosphono-2'-<i>O</i>-<i>tert</i>-butyldimethylsilyluridine","Acta Crystallographica Section C","1996","52","6","1552","1554","10.1107/S0108270195014831","","","0.71073","Mo_Kα","","0.15","0.051","","","0.053","","","","","1.054","1.054","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2005059","14.51","0.001","17.248","0.001","11.908","0.002","90","","90","","90","","2980.2","0.6","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O11 -","- C31 H38 O11 -","- C124 H152 O44 -","4","1","SZ1030","Soriano-Garcia, M.; Jimenez, M. A.; Mata, R.; Segura de Correa, R.","Humilinolide D","Acta Crystallographica Section C","1996","52","6","1527","1529","10.1107/S0108270195010109","","","1.54184","CuKα","","","0.0562","","","0.0651","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005074","4.747","0.007","14.399","0.002","15.191","0.002","90","0.011","90","0.011","90","0.011","1038.3","1.5","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanyl-glycyl-L-alanine","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","1","AB1324","Padiyar, G. S.; Seshadri, T. P.","The Linear Tripeptide <small>L</small>-Alanylglycyl-<small>L</small>-alanine","Acta Crystallographica Section C","1996","52","7","1693","1695","10.1107/S0108270196001138","","","1.5418","CuKα","","0.0305","0.0279","","0.08","0.078","","","","1.045","1.057","1.057","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005079","8.144","0.001","21.772","0.001","6.966","0.001","90","","90","","90","","1235.1","0.2","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 B N4 O4 -","- C10 H15 B N4 O4 -","- C40 H60 B4 N16 O16 -","4","1","BK1158","Gao, Q.; Sood, A.; Ramsay Shaw, B.; Williams, L. D.","2'-Deoxycytidine-<i>N</i>3-cyanoborane","Acta Crystallographica Section C","1996","52","7","1823","1825","10.1107/S0108270195013783","","","1.5418","CuKα","","","0.029","","","0.042","","","","","1.505","1.505","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005082","6.709","0.001","9.854","0.001","11.766","0.002","90","","90","","90","","777.86","0.19","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 N O6 P -","- C4 H10 N O6 P -","- C16 H40 N4 O24 P4 -","4","1","BK1167","Maniukiewicz, W.; Kwiatkowski, W.; Blessing, R. H.","<i>O</i>-Phospho-<small>DL</small>-threonine and <i>O</i>-Phospho-<small>L</small>-threonine Compared with their Serine Analogs","Acta Crystallographica Section C","1996","52","7","1736","1741","10.1107/S0108270195015708","","","0.71069","MoKα","","","0.026","","","0.065","","","","","2.38","2.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005085","10.646","0.003","16.547","0.002","6.899","0.003","90","","90","","90","","1215.3","0.6","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Anthracene-1,8-dicarboxylic acid","anthracene-1,8-dicarboxylic acid","","- C16 H10 O4 -","- C16 H10 O4 -","- C64 H40 O16 -","4","1","BK1211","Fitzgerald, L. J.; Gerkin, R. E.","Anthracene-1,8-dicarboxylic Acid","Acta Crystallographica Section C","1996","52","7","1838","1841","10.1107/S0108270196002703","","","0.71073","MoKα","","","0.051","","","0.05","","","","","1.39","1.39","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005123","9.802","0.007","21.172","0.005","5.504","0.005","90","","90","","90","","1142.2","1.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-deoxy-α-D-erythropentopyranosyl) 1-(R),2-(R)-4,4- dimethylpyrazolidine-3,5-dione","","- C10 H16 N2 O5 -","- C10 H16 N2 O5 -","- C40 H64 N8 O20 -","4","1","FG1174","Kolb, V. M.; Colloton, P. A.; Robinson, P. D.; Lutfi, H. G.; Meyers, C. Y.","(1<i>R</i>,2<i>R</i>)-4,4-Dimethylpyrazolidine-3,5-dione-α-<small>D</small>-pyranosyl-2-deoxyriboside","Acta Crystallographica Section C","1996","52","7","1781","1784","10.1107/S0108270196004416","","","0.71069","MoKα","","","0.058","","","0.048","","","","","1.35","1.35","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005143","7.3732","0.0007","11.0354","0.0009","13.82","0.001","90","","90","","90","","1124.48","0.16","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N6 -","- C12 H10 N6 -","- C48 H40 N24 -","4","1","KH1014","Liou, L.-S.; Chen, P.-S.; Sun, C.-H.; Wang, J.-C.","An Orthorhombic Phase of 3,6-Di(2-pyridyl)-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section C","1996","52","7","1841","1843","10.1107/S0108270195016635","","","0.71073","MoKα","","","0.0313","","","0.0379","","","","","0.91","0.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005149","10.004","0.001","10.273","0.001","14.719","0.001","90","","90","","90","","1512.7","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 S -","- C15 H20 O4 S -","- C60 H80 O16 S4 -","4","1","LI1145","Zukerman-Schpector, J.; Monteiro, H. J.","Intermediates in the Synthesis of (+)-Grandisol. I","Acta Crystallographica Section C","1996","52","7","1767","1770","10.1107/S0108270196004222","","","0.71073","MoKα","","0.1035","0.0681","","0.2031","0.1613","","","","1.119","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005159","10.156","0.001","10.751","0.002","13.007","0.002","90","","90","","90","","1420.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Z-2-Phenyl-4-[(S)-2,2-dimethyl-1,3-dioxolan-4-ylmethylen]-5(4H)-oxazolone.","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","NA1223","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.","(<i>Z</i>)-4-[(<i>S</i>)-2,2-Dimethyl-1,3-dioxolan-4-ylmethylidene]-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","1996","52","7","1810","1813","10.1107/S0108270196004246","","","0.71073","MoKα","","0.0742","0.0483","","0.1561","0.1363","","","","1.051","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005189","10.387","0.005","17.411","0.007","8.1633","0.0008","90","","90","","90","","1476.3","0.9","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N3 O3 -","- C15 H17 N3 O3 -","- C60 H68 N12 O12 -","4","1","TA1079","Hirayama, N.; Arai, H.; Kasai, M.","Structural Studies of Mitomycins. VII. Mitomycin G","Acta Crystallographica Section C","1996","52","7","1806","1808","10.1107/S0108270196000807","","","1.54184","CuKα","","","0.043","","","0.063","","","","","2.22","2.22","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2005190","11.641","0.006","12.245","0.008","26.446","0.005","90","","90","","90","","3770","3","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl2 P4 Ru -","- C40 H40 Cl2 P4 Ru -","- C160 H160 Cl8 P16 Ru4 -","4","1","TA1085","Hockless, D. C. R.; Wild, S. B.; McDonagh, A. M.; Whittall, I. R.; Humphrey, M. G.","<i>trans</i>-Dichlorobis[(<i>R</i>,<i>R</i>)-1,2-phenylenebis(methylphenylphosphine-<i>P</i>)]ruthenium(II)","Acta Crystallographica Section C","1996","52","7","1639","1641","10.1107/S0108270196003009","","","0.7107","MoKα","","","0.0251","","","0.019","","","","","1.874","1.874","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005233","7.6314","0.0006","10.452","0.002","11.229","0.001","90","","90","","90","","895.7","0.2","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cyanoferrocene","","- C11 H9 Fe N -","- C11 H9 Fe N -","- C44 H36 Fe4 N4 -","4","1","CF1114","Bell, W.; Ferguson, G.; Glidewell, C.","Cyanoferrocene: a Two-Dimensional Network Generated by Short C—H···N Hydrogen Bonds","Acta Crystallographica Section C","1996","52","8","1928","1930","10.1107/S0108270196006233","","","0.7107","MoKα","","0.0554","0.0375","","0.1039","0.0978","","","","0.934","1.015","1.015","","","","","has coordinates","192285","2020-10-21","18:00:00",""
"2005244","10.223","0.003","14.096","0.003","21.454","0.008","90","","90","","90","","3091.6","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(OC-6-2'3'-C)-Chlorobis[2-(diphenylphosphino)phenolato]oxorhenium(V)","","- C36 H28 Cl O3 P2 Re -","- C36 H28 Cl O3 P2 Re -","- C144 H112 Cl4 O12 P8 Re4 -","4","1","FG1173","Loiseau, F.; Lucchese, Y.; Dartiguenave, M.; Bélanger-Gariépy, F.; Beauchamp, A. L.","Chlorobis[2-(diphenylphosphino)phenolato-<i>O</i>,<i>P</i>]oxorhenium(V)","Acta Crystallographica Section C","1996","52","8","1968","1971","10.1107/S0108270196004106","","","1.54056","CopperKα","","0.0393","0.031","","0.065","0.0625","","","","0.74","0.781","0.781","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005246","17.381","0.004","18.414","0.003","9.591","0.002","90","","90","","90","","3069.6","1.1","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 P2 -","- C40 H30 P2 -","- C160 H120 P8 -","4","1","FG1181","Fu, T. Y.; Scheffer, J. R.; Trotter, J.","(+)-(4b<i>R</i>,8b<i>R</i>,8c<i>R</i>,8d<i>R</i>)-Tetrahydrodibenzo[<i>a</i>,<i>f</i>]cyclopropa[<i>cd</i>]pentalene-8b,8c-bis(diphenylphosphine)","Acta Crystallographica Section C","1996","52","8","2095","2097","10.1107/S0108270196004477","","","1.5418","CuKα","","","0.031","","0.051","0.033","","","","0.035","1.9","1.9","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005252","9.387","0.0004","10.0616","0.0004","21.722","0.001","90","","90","","90","","2051.6","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,2R,2'S,4""S)-3-(4""-Benzyl-oxazolidin-2""-one-3""-yl) -3-oxo-2-(2'-vinyl-cyclohexyl)-propionic acid methyl ester","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","1","JZ1097","Schäfer, M.; Herbst-Irmer, R.; Pohl, E.; Schünke, C.; Tietze, L. F.","(2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclohexyl]propionic Acid Methyl Ester and (2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclopentyl]propionic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","8","2029","2032","10.1107/S010827019600159X","","","1.54178","CuKα","","0.0491","0.0429","","0.1122","0.1072","","","","1.044","1.064","1.064","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005253","9.272","0.005","9.699","0.002","21.21","0.006","90","","90","","90","","1907.4","1.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,2R,2'S,4''S)-3-(4''-Benzyl-oxazolidin-2''-one-3''-yl) -3-oxo-2-(2'-vinyl-cyclopentyl)-propionic acid methyl ester","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C84 H100 N4 O20 -","4","1","JZ1097","Schäfer, M.; Herbst-Irmer, R.; Pohl, E.; Schünke, C.; Tietze, L. F.","(2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclohexyl]propionic Acid Methyl Ester and (2<i>R</i>)-3-[(4<i>S</i>)-4-Benzyl-2-oxo-3-oxazolidinyl]-3-oxo-2-[(1<i>R</i>,2<i>S</i>)-2-vinylcyclopentyl]propionic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","8","2029","2032","10.1107/S010827019600159X","","","0.71073","MoKα","","0.0495","0.0415","","0.1072","0.0979","","","","1.079","1.042","1.042","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005263","6.41","0.003","13.34","0.004","23.851","0.005","90","","90","","90","","2039.5","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-Estradiol 3-benzoate","(17β)-Estra-1,3,5(10)-triene-3,17-diol 3-benzoate","","- C25 H28 O3 -","- C25 H28 O3 -","- C100 H112 O12 -","4","1","KA1186","Bolaños-García, V. M.; Juárez-Martínez, G.; Panneerselvam, K.; Soriano-García, M.","17β-Estradiol 3-Benzoate","Acta Crystallographica Section C","1996","52","8","1997","2000","10.1107/S0108270196002752","","","1.54178","CuKα","","0.0369","0.0348","","0.0958","0.0936","","","","1.039","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005265","10.303","0.002","23.585","0.003","5.335","0.003","90","","90","","90","","1296.4","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trimethylsilyl N-p-bromo phenyl carbamate","","- C10 H14 Br N O2 Si -","- C10 H14 Br N O2 Si -","- C40 H56 Br4 N4 O8 Si4 -","4","1","KA1195","Böcskei, Z.; Rohonczy, J.; Szalay, R.; Knausz, D.","Two <i>N</i>-Aryl-Substituted Silyl Carbamates","Acta Crystallographica Section C","1996","52","8","2063","2066","10.1107/S0108270196006439","","","1.54178","CuKα","","0.0743","0.0417","","0.1257","0.0985","","","","1.098","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005296","8.704","0.001","12.636","0.001","17.819","0.002","90","","90","","90","","1959.8","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2R,2(1S),4S]-2-(2-Oxocyclopentyl)-4-phenyl-3-(p-toluenesulfonyl)- 1,3-oxazolidine","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","SK1036","Bolte, M.; Berger, B.","An Arylsulfonyloxazolidine","Acta Crystallographica Section C","1996","52","8","1987","1989","10.1107/S0108270196007718","","","1.5418","CuKα","","0.029","0.0286","","0.0815","0.0811","","","","1.018","1.026","1.026","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005299","10.144","0.004","10.962","0.003","15.683","0.003","90","","90","","90","","1743.9","0.9","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","SZ1020","Sivaraman, J.; Subramanian, K.; Vasanth, S.","Leonotinin","Acta Crystallographica Section C","1996","52","8","2043","2045","10.1107/S0108270195010195","","","0.71073","MoKα","","","0.057","","","0.058","","","","","1.08","1.08","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005301","10.563","0.002","16.902","0.002","9.297","0.002","90","","90","","90","","1659.8","0.5","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(1',3'-dioxolan-2'-yl)-2-methyl-6-nitro -4-(2'-oxopyrrolidin-1'-yl)-2H-1-benzopyran","","- C17 H18 N2 O6 -","- C17 H18 N2 O6 -","- C68 H72 N8 O24 -","4","1","TA1029","Shin, W.; Chae, C. H.; Yoo, S. E.","Antihypertensive 2-(1,3-Dioxolan-2-yl)-2-methyl-6-nitro-4-(2-oxo-1-pyrrolidinyl)-2<i>H</i>-1-benzopyran","Acta Crystallographica Section C","1996","52","8","2058","2060","10.1107/S010827019600248X","","","1.54184","CuKα","","0.0486","0.0341","","0.1335","0.0907","","","","1.495","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005302","8.809","0.001","10.42","0.001","9.642","0.001","90","","90","","90","","885.04","0.16","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,4'-Oxybispyridine","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","TA1056","Dunne, S. J.; von Nagy-Felsobuki, E. I.; Mackay, M. F.","4,4'-Oxybispyridine and 4,4'-Selenobispyridine","Acta Crystallographica Section C","1996","52","8","2040","2042","10.1107/S0108270195014843","","","1.5418","CuKα","","","0.048","","0.098","0.078","","","","0.838","0.838","0.838","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005308","8.754","0.002","8.91","0.001","12.992","0.002","90","","90","","90","","1013.4","0.3","158","2","158","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2,6,6-Tetramethylpiperidinium chloride","","- C9 H20 Cl N -","- C9 H20 Cl N -","- C36 H80 Cl4 N4 -","4","1","TA1077","Kaplan, R. W.; Turnbull, M. M.","2,2,6,6-Tetramethylpiperidinium Chloride","Acta Crystallographica Section C","1996","52","8","2049","2051","10.1107/S0108270196001679","","","0.71073","MoKα","","0.0551","0.0405","","0.0845","0.0804","","","","0.819","0.889","0.889","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005326","9.543","0.004","10.279","0.001","12.231","0.005","90","","90","","90","","1199.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-1-(2-deoxy-β-D-ribofuranosyl)-5,6,7-1H- cyclopentapyridine-2-one","","- C12 H17 N3 O4 -","- C12 H17 N3 O4 -","- C48 H68 N12 O16 -","4","1","BM1048","Neidle, S.; Capaldi, D. C.; Reese, C. B.; Roselt, P. D.","4-Amino-1-(2-deoxy-β-<small>D</small>-ribofuranosyl)-6,7-dihydro-1<i>H</i>,5<i>H</i>-cyclopentapyrimidine-2-one","Acta Crystallographica Section C","1996","52","9","2332","2334","10.1107/S0108270196002582","","","0.71073","MoKα","","0.059","0.0493","","0.1124","0.1103","","","","0.969","1.059","1.059","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005375","6.419","0.001","13.34","0.002","24.701","0.002","90","","90","","90","","2115.1","0.5","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro-naphthalene-1-yl)ethyl 4,7,7-trimethyl-3-oxo-2-oxa-bicyclo[2.2.1]heptane-1-carboxylate","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","KA1161","Noltemeyer, M.; Raschke, T.; Tietze, L. F.","2-(6-Methoxy-7-methyl-1,2,3,4-tetrahydro-1-naphthyl)ethyl 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate","Acta Crystallographica Section C","1996","52","9","2256","2258","10.1107/S0108270196004167","","","0.71073","MoKα","","0.0356","0.032","","0.0818","0.0776","","","","1.066","1.066","1.066","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005377","6.8302","0.0008","12.164","0.001","23.846","0.004","90","","90","","90","","1981.2","0.4","295","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","KA1177","Steiner, Th.","17α-Ethynyl-19-nor-3-oxo-4-androsten-17β-yl Acetate (Norethindrone Acetate)","Acta Crystallographica Section C","1996","52","9","2261","2263","10.1107/S0108270196002417","","","1.54184","CuKα","","","0.059","","","0.156","","","","","1.09","1.09","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005378","8.55","0.001","12.189","0.001","20.979","0.002","90","","90","","90","","2186.3","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","16β-fluoro-17aβ-(4-nitroanilino)-3-methoxy-D-homoestra-1,3,5(10)-triene","","- C26 H31 F N2 O3 -","- C26 H31 F N2 O3 -","- C104 H124 F4 N8 O12 -","4","1","KA1183","Noltemeyer, M.; Tietze, L. F.; Wölfling, J.; Frank, É.; Schneider, G.","A Fluorinated <small>D</small>-Homoestrone Derivative","Acta Crystallographica Section C","1996","52","9","2258","2259","10.1107/S0108270196003897","","","0.71073","MoKα","","0.0591","0.0459","","0.1065","0.0967","","","","1.073","1.074","1.074","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005380","16.233","0.002","17.313","0.002","13.3","0.001","90","","90","","90","","3737.9","0.7","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4-Hydroxy-3-diethylphosphono-5-tert-butyl-phenyl)-bis-(diphenylphosphinyl)- methane","","- C39 H45 O7 P3 -","- C39 H45 O7 P3 -","- C156 H180 O28 P12 -","4","1","KA1188","Ramm, M.; Costisella, B.","Diethyl 5-Bis(diphenylphosphinoyl)methyl-2-hydroxy-3-<i>tert</i>-butylphenylphosphonate Hydrate at 173K","Acta Crystallographica Section C","1996","52","9","2305","2307","10.1107/S0108270196003903","","","1.54178","CuKα","","","0.044","","","0.059","","","","","2.274","2.274","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005381","4.8701","0.0002","11.046","0.001","23.877","0.004","90","","90","","90","","1284.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Gly-His hydrochloride dihydrate","Glycyl-L-histidinium Chloride dihydrate","","- C8 H17 Cl N4 O5 -","- C8 H17 Cl N4 O5 -","- C32 H68 Cl4 N16 O20 -","4","1","KA1193","Steiner, Th.","Glycyl-<small>L</small>-histidinium Chloride Dihydrate: an Unusual Histidine Conformation","Acta Crystallographica Section C","1996","52","9","2266","2269","10.1107/S0108270196004556","","","1.54176","CuKα","","0.0445","0.0383","","0.1357","0.0966","","","","1.095","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005411","8.366","0.002","11.066","0.002","14.562","0.002","90","","90","","90","","1348.1","0.4","292","","292","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phenylglycinium hydrogen squarate monohydrate","","- C12 H13 N O7 -","- C12 H13 N O7 -","- C48 H52 N4 O28 -","4","1","NA1238","Angelova, O.; Petrova, R.; Radomirska, V.; Kolev, T.","Crystalline Complexes Involving Amino Acids. II. (<i>R</i>)-({-})-1-Phenylglycinium Hydrogen Squarate Monohydrate","Acta Crystallographica Section C","1996","52","9","2218","2220","10.1107/S0108270196006452","","","0.71073","MoKα","","0.08","0.045","","0.081","0.057","","","","1.557","1.112","1.112","","","","","has coordinates","191095","2020-10-21","18:00:00",""
"2005432","10.114","0.003","11.289","0.004","21.103","0.009","90","","90","","90","","2409.5","1.5","293","1","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O8 -","- C25 H38 O8 -","- C100 H152 O32 -","4","1","TA1076","Chen, H.; Tan, R.; Liu, Z.; Liu, J.; Chen, M.","Lupulin D","Acta Crystallographica Section C","1996","52","9","2229","2231","10.1107/S0108270196004829","","","0.71073","MoKα","","","0.039","","","0.037","","","","","0.841","0.841","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005451","12.96","0.002","17.444","0.003","8.068","0.002","90","","90","","90","","1824","0.6","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S*,3S*,4R*,7S*,8S*,12S*,13S*)-7-isocyanocycloamphilect- 11(20)-ene","","","- C21 H31 N -","- C21 H31 N -","- C84 H124 N4 -","4","1","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.0769","0.0466","","0.0436","0.041","","","","","1.706","1.706","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005452","14.319","0.002","17.591","0.004","7.145","0.002","90","","90","","90","","1799.7","0.7","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S*,3S*,4R*,7S*,8S*,11R*,12R*,13S*,20S*)-7- isocyanoisocycloamphilect-14-ene","","","- C21 H31 N -","- C21 H31 N -","- C84 H124 N4 -","4","1","AB1372","Linden, A.; König, G. M.; Wright, A. D.","Four Diterpene Isonitriles from the Sponge <i>Cymbastela hooperi</i>","Acta Crystallographica Section C","1996","52","10","2601","2607","10.1107/S010827019600515X","","","0.71069","MoKα","","0.1233","0.0564","","0.0469","0.0431","","","","","2.091","2.091","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005467","7.793","0.006","15.72","0.009","20.514","0.012","90","","90","","90","","2513","3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sodium 3α,7α,12α-Trihydroxy-5β-cholan-24-oate Methanolate","","- C25 H43 Na O6 -","- C25 H43 Na O6 -","- C100 H172 Na4 O24 -","4","1","BK1236","Wahle, M. C.; Byrn, S. R.","Sodium Cholate Methanolate and Sodium Cholate 2-Propanolate","Acta Crystallographica Section C","1996","52","10","2495","2499","10.1107/S0108270196006506","","","0.71073","MoKα","","0.099","0.068","","0.156","0.156","","","","1.045","1.045","1.045","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005473","4.837","0.001","13.296","0.001","18.24","0.001","90","","90","","90","","1173.1","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 F2 N2 O4 -","- C10 H12 F2 N2 O4 -","- C40 H48 F8 N8 O16 -","4","1","BM1043","Das, A. K.; Mukhopadhyay, A.; Das, N.; Mazumdar, S. K.; Bertolasi, V.; Van Aerschot, A.","3'-Deoxy-2',3'-difluorothymidine, a Nucleoside Analogue","Acta Crystallographica Section C","1996","52","10","2615","2616","10.1107/S010827019600282X","","","0.71073","MoKα","","","0.037","","","0.042","","","","","1.428","1.428","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005487","4.566","0.0003","8.1331","0.0005","23.173","0.003","90","","90","","90","","860.55","0.14","294","1","294","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Benzene-1,3,5-trimethanol","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","CF1110","Bell, W.; Coupar, P. I.; Ferguson, G.; Glidewell, C.","Multiple Hydrogen Bonds in Pyridine-2,6-dimethanol and Benzene-1,3,5-trimethanol","Acta Crystallographica Section C","1996","52","10","2520","2524","10.1107/S0108270196006014","","","0.7107","MoKα","","0.0921","0.0434","","0.1004","0.0889","","","","1.05","1.244","1.244","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005489","7.529","0.004","20.689","0.012","30.469","0.016","90","","90","","90","","4746","4","302.3","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N4 O4 S2 -","- C13 H16 N4 O4 S2 -","- C156 H192 N48 O48 S24 -","12","3","DE1032","Biswas, G.; Chandra, T.; Garg, N.; Bhakuni, D. S.; Pramanik, A.; Avasthi, K.; Maulik, P. R.","A [3.1.0]-Fused 2',3'-Modified β-<small>D</small>-Pyrazolo[3,4-<i>d</i>]pyrimidine Nucleoside","Acta Crystallographica Section C","1996","52","10","2563","2566","10.1107/S0108270196004015","","","0.71073","MoKα","","","0.052","","","0.087","","","","","1.106","1.106","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005506","12.998","0.004","13.719","0.003","13.873","0.003","90","","90","","90","","2473.8","1.1","178","2","178","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Difluorobis(diphenylphosphino)methane bis(chlorogold(I))","","- C25 H20 Au2 Cl2 F2 P2 -","- C25 H20 Au2 Cl2 F2 P2 -","- C100 H80 Au8 Cl8 F8 P8 -","4","1","FG1184","Jones, P. G.; Bembenek, E.","Derivatives of Bis(diphenylphosphino)difluoromethane: the Disulfide Ph~2~P(= S)CF~2~P(= S)Ph~2~ and the Bis[chlorogold(I)] Complex Ph~2~P(AuCl)CF~2~P(AuCl)Ph~2~","Acta Crystallographica Section C","1996","52","10","2396","2399","10.1107/S0108270196004404","","","0.71073","MoKα","","0.0598","0.0405","","0.0945","0.0864","","","","0.974","1.001","1.001","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005513","10.552","0.001","24.993","0.0018","7.97","0.001","90","","90","","90","","2101.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","α-5-Adamantyl-4'-thio-2'-deoxyuridine methanol solvate","","- C20 H30 N2 O5 S -","- C20 H30 N2 O5 S -","- C80 H120 N8 O20 S4 -","4","1","HA1160","Sun, M.; Basnak, I.; Hamor, T. A.; Walker, R. T.","α-5-Adamantyl-4'-thio-2'-deoxyuridine Methanol Solvate","Acta Crystallographica Section C","1996","52","10","2556","2558","10.1107/S010827019600529X","","","0.71069","MoKα","","0.038","0.0345","","0.1049","0.0954","","","","1.049","0.963","0.963","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005522","10.604","0.005","13.327","0.003","32.664","0.009","90","","90","","90","","4616","3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11,12,4""-tri-O-methylazithromycin monohydrate","","- C41 H80 N2 O13 -","- C41 H80 N2 O13 -","- C164 H320 N8 O52 -","4","1","KA1189","Kamenar, B.; Košutić Hulita, N.; Vicković, I.; Kobrehel, G.; Lazarevski, G.","11,12,4''-Tri-<i>O</i>-methylazithromycin Monohydrate","Acta Crystallographica Section C","1996","52","10","2566","2568","10.1107/S0108270196005409","","","1.54178","CuKα","","0.1602","0.0624","","0.2176","0.1758","","","","0.952","1.316","1.316","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005523","10.175","0.008","14.146","0.014","39.575","0.035","90","","90","","90","","5696","9","153","2","153","4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(bis(1,10-phenanthroline)cyanocopper(II) isothiocyanate) Phenanthroline Pentahemihydrate","","- C64 H51 Cu2 N14 O5.5 S2 -","- C64 H51 Cu2 N14 O5.5 S2 -","- C256 H204 Cu8 N56 O22 S8 -","4","1","KA1199","Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.","Cyanobis(1,10-phenanthroline-<i>N</i>,<i>N</i>')copper(II) Isothiocyanate‒Phenanthroline‒Water (2/1/5.5)","Acta Crystallographica Section C","1996","52","10","2406","2409","10.1107/S0108270196006993","","","0.71069","MoKα","","0.1001","0.0673","","0.2088","0.1635","","","","0.99","1.018","1.018","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2005536","12.314","0.001","12.425","0.001","14.855","0.005","90","","90","","90","","2272.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-N-Benzyl-N-[(N-tert-butoxycarbonyl-2,2-dimethyloxazol-4-yl)- (furan-2-yl)methyl]hydroxylamine","","- C22 H30 N2 O5 -","- C22 H30 N2 O5 -","- C88 H120 N8 O20 -","4","1","NA1237","Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.","Chiral Hydroxylamines. II. (1<i>R</i>,2<i>R</i>)-<i>N</i>-Benzyl-<i>N</i>-[(3-<i>tert</i>-butoxycarbonyl-2,2-dimethyloxazol-4-yl)(furan-2-yl)methyl]hydroxylamine","Acta Crystallographica Section C","1996","52","10","2536","2538","10.1107/S0108270196005185","","","0.71073","MoKα","","0.0387","0.0375","","0.1049","0.103","","","","1.045","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005539","8.707","0.001","9.313","0.001","19.869","0.001","90","","90","","90","","1611.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-2-Benzamido-2-methoxycarbonylcyclohexan-5-one-1-carboxylic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","NA1251","Buñuel, E.; Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.","A New Conformationally Restricted Aspartic Acid Analogue with a Cyclohexanone Skeleton","Acta Crystallographica Section C","1996","52","10","2641","2644","10.1107/S0108270196008712","","","0.71069","MoKα","","0.0346","0.0321","","0.0871","0.0848","","","","1.063","1.072","1.072","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005547","5.8088","0.0003","17.976","0.002","18.213","0.002","90","","90","","90","","1901.8","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9β-tert-butoxy-4(E)-ethylidene-8β-methyl-5-oxobicyclo[6.3.0]undean-2β- carboxylic Acid Methyl Ester","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","SK1014","Mague, J. T.; Li, C.-J.; Chen, D.-L.; Lu, Y.-Q.; Haberman, J. X.","Product of a Novel Carbocyclic Enlargement in Aqueous Media: 9β-<i>tert</i>-Butoxy-4-(<i>E</i>)-ethylidene-8β-methyl-5-oxobicyclo[6.3.0]undecan-2β-carboxylic Acid Methyl Ester","Acta Crystallographica Section C","1996","52","10","2597","2599","10.1107/S0108270196006270","","","0.71073","MoKα,graphitemonochromated","","0.076","0.043","","","0.06","","","","","2.006","2.006","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2005548","9.973","0.001","10.741","0.001","27.527","0.003","90","","90","","90","","2948.7","0.5","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2aS,3S,6S,7S,7bR)-2-oxo-6-[(1R,2S)-2-phenylcyclohexyloxy]-8- [(dimethylphenyl)silyl]-2a,3,6,7,7a,7b-hexahydro-2H-1,4,5-trioxa-4a- azacyclopenta[cd]indene-3-carboxylic Acid 1-Methylethyl Ester","","- C31 H39 N O7 Si -","- C31 H39 N O7 Si -","- C124 H156 N4 O28 Si4 -","4","1","SK1015","Thorarensen, A.; Swiss, K. A.; Denmark, S. E.","(2a<i>S</i>,3<i>S</i>,6<i>S</i>,7<i>S</i>,7b<i>R</i>)-7-[(Dimethylphenyl)silyl]-2-oxo-6-[(1<i>R</i>,2<i>S</i>)-2-phenylcyclohexyloxy]-2a,3,6,7,7a,7b-hexahydro-2<i>H</i>-1,4,5-trioxa-4a-azacyclopenta[<i>cd</i>]indene-3-carboxylic Acid 1-Methylethyl Ester","Acta Crystallographica Section C","1996","52","10","2558","2561","10.1107/S0108270196005434","","","0.71073","MoKα","","0.1905","0.0905","","0.1653","0.1245","","","","1.116","1.236","1.236","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005589","23.826","0.007","10.098","0.004","9.881","0.004","90","","90","","90","","2377.3","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2(R)-ethoxy-4(R)-(1,2;3,4-di-O-isopropylidene-a-D-galacto-1,5-pyranose-5-yl) -6-(thiazol-2-yl)-3,4-dihydro-2H-pyrane.","","- C21 H31 N O8 S -","- C21 H31 N O8 S -","- C84 H124 N4 O32 S4 -","4","1","BM1086","Ianelli, S.; Nardelli, M.","Directly Linked <i>C</i>-Disaccharides: Structures of Two 3,4-Dihydro-2<i>H</i>-pyran Derivatives","Acta Crystallographica Section C","1996","52","11","2853","2857","10.1107/S010827019600827X","","","1.54178","CuKα","","0.0693","0.0313","","0.0603","0.0497","","","","0.749","0.904","0.904","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005590","17.339","0.004","16.43","0.005","7.222","0.003","90","","90","","90","","2057.4","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2(R)-ethoxy-4(S)-(1,2;3,4-di-O-isopropylidene-a-D-galacto-1,5-pyranose-5-yl) -6-formyl-3,4-dihydro-2H-pyrane.","","- C19 H28 O8 -","- C19 H28 O8 -","- C76 H112 O32 -","4","1","BM1086","Ianelli, S.; Nardelli, M.","Directly Linked <i>C</i>-Disaccharides: Structures of Two 3,4-Dihydro-2<i>H</i>-pyran Derivatives","Acta Crystallographica Section C","1996","52","11","2853","2857","10.1107/S010827019600827X","","","1.54178","CuKα","","0.092","0.0284","","0.0508","0.0409","","","","0.638","0.797","0.797","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005598","4.634","0.001","13.069","0.004","15.832","0.005","90","","90","","90","","958.8","0.5","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N3 O S2 -","- C6 H9 N3 O S2 -","- C24 H36 N12 O4 S8 -","4","1","CF1085","Pomes Hernandez, R.; Gómez González, A.; Rosado Pérez, A.; Nápoles Frías, B. M.; Toscano, R. A.; Quincoces Suárez, J.","<i>N</i>'-[Bis(methylthio)methylene]cyanoacetohydrazide","Acta Crystallographica Section C","1996","52","11","2941","2942","10.1107/S0108270196007147","","","1.54184","CuKα","","","0.039","","","0.05","","","","","1.13","1.13","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005601","10.362","0.002","14.463","0.002","15.209","0.002","90","","90","","90","","2279.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 Cl2 N2 O8 -","- C18 H34 Cl2 N2 O8 -","- C72 H136 Cl8 N8 O32 -","4","1","CF1098","Wolska, I.; Borowiak, T.; Boczoń, Wł.","17β-Isopropylsparteine and 17β-Isopropyllupanine Perchlorates","Acta Crystallographica Section C","1996","52","11","2822","2826","10.1107/S0108270196008499","","","0.71073","MoKα","","0.1315","0.0653","","0.1837","0.1534","","","","1.069","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005603","6.728","0.002","7.94","0.007","25.085","0.009","90","","90","","90","","1340","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[1-[(4,5-dimethyl-2-aminophenyl)imino]ethyl]phenol","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","CF1102","Corden, J. P.; Bishop, P. R.; Errington, W.; Wallbridge, M. G. H.","2-{1-[(2-Amino-4,5-dimethylphenyl)imino]ethyl}phenol","Acta Crystallographica Section C","1996","52","11","2777","2779","10.1107/S0108270196007159","","","0.71073","MoKα","","0.051","0.0382","","0.1122","0.0831","","","","1.058","1.127","1.127","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005613","6.328","0.001","13.208","0.002","20.069","0.005","90","","90","","90","","1677.4","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,4α-dihydroxy-5β-androstan-17-one","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","FG1119","Ramos Silva, M.; Paixão, J. A.; de Almeida, M.-J. M.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3β,4α-Dihydroxy-5β-androstan-17-one","Acta Crystallographica Section C","1996","52","11","2892","2894","10.1107/S0108270196008839","","","0.71073","MoKα","","0.1287","0.0424","","0.1204","0.0883","","","","1.004","1.065","1.065","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005621","5.9653","0.0007","13.45","0.002","18.63","0.002","90","","90","","90","","1494.7","0.3","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-p-toluenesulfonylaziridine-(2S)-carboxylic acid tert-butyl ester","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C56 H76 N4 O16 S4 -","4","1","FG1222","Clegg, W.; Heath, S. L.; Horsburgh, L.; Jackson, R. F. W.; Wood, A.","A Sulfonyl-Substituted Aziridine","Acta Crystallographica Section C","1996","52","11","2779","2781","10.1107/S0108270196010153","","","0.71073","MoKα","","0.0272","0.026","","0.0685","0.0674","","","","1.062","1.062","1.062","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005625","12.169","0.002","13.576","0.001","14.919","0.001","90","","90","","90","","2464.7","0.5","298","3","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 Co N7 S3 -","- C19 H32 Co N7 S3 -","- C76 H128 Co4 N28 S12 -","4","1","HR1025","Lu, T.-H.; Tahirov, T. H.; Chen, B.-H.; Lai, C.-Y.; Chung, C.-S.","<i>trans</i>-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')di(isothiocyanato-<i>N</i>)cobalt(III) Thiocyanate","Acta Crystallographica Section C","1996","52","11","2684","2687","10.1107/S0108270196008724","","","0.71073","MoKα","","","0.051","","","0.055","","","","","1.52","1.52","","","","","has coordinates,has disorder","200181","2020-10-21","18:00:00",""
"2005633","9.425","0.001","10.904","0.003","20.034","0.007","90","","90","","90","","2058.9","0.9","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,5R,6R,8R,10R,12R)-5,8,15,15-Tetramethyl-6-phenyl-7,9-dioxa-3-thia- 4-azatetracyclo[10.2.1.0^1,10^.0^4,8^]pentadecane 3,3-Dioxide","","- C21 H29 N O4 S -","- C21 H29 N O4 S -","- C84 H116 N4 O16 S4 -","4","1","JZ1144","Bolte, M.; Strahringer, C.","(1<i>S</i>,5<i>R</i>,6<i>R</i>,8<i>R</i>,10<i>R</i>,12<i>R</i>)-5,8,15,15-Tetramethyl-6-phenyl-7,9-dioxa-3-thia-4-azatetracyclo[10.2.1.0^1,10^.0^4,8^]pentadecane 3,3-Dioxide","Acta Crystallographica Section C","1996","52","11","2805","2806","10.1107/S0108270196008840","","","1.5418","CuKα","","0.0312","0.0307","","0.0918","0.0909","","","","0.991","0.99","0.99","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005636","12.801","0.004","18.168","0.004","7.866","0.004","90","","90","","90","","1829.4","1.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-androsten-17beta-yl acetate-3-one","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","KA1197","Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.","Three Testosterone Derivatives","Acta Crystallographica Section C","1996","52","11","2899","2903","10.1107/S0108270196006440","","","1.54178","CuKα","","0.1942","0.0492","","0.1746","0.114","","","","1.079","1.302","1.302","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005637","10.207","0.005","40.174","0.007","6.074","0.013","90","","90","","90","","2491","5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","anti-4-androsten-17beta-yl acetate-3-Obenzyloxime","","- C28 H37 N O3 -","- C28 H37 N O3 -","- C112 H148 N4 O12 -","4","1","KA1197","Böcskei, Z.; Gérczei, T.; Bodor, A.; Schwartz, R.; Náray-Szabó, G.","Three Testosterone Derivatives","Acta Crystallographica Section C","1996","52","11","2899","2903","10.1107/S0108270196006440","","","1.54178","CuKα","","0.1965","0.052","","0.2097","0.1219","","","","1.075","1.238","1.238","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005675","8.031","0.001","13.161","0.001","14.477","0.001","90","","90","","90","","1530.2","0.2","293","2","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,6-dibenzoylhydroquinone","","","- C20 H14 O4 -","- C20 H14 O4 -","- C80 H56 O16 -","4","1","PA1231","Biradha, K.; Desiraju, G. R.; Carrell, H. L.; Katz, A. K.","2,6-Dibenzoylhydroquinone","Acta Crystallographica Section C","1996","52","11","2839","2841","10.1107/S0108270196007615","","","0.71073","MoKα","","0.0575","0.0526","","0.1441","0.1335","","","","0.711","0.709","0.709","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005696","5.197","0.002","16.097","0.002","18.718","0.002","90","","90","","90","","1565.9","0.7","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 N2 O4 S -","- C11 H18 N2 O4 S2 -","- C44 H72 N8 O16 S8 -","4","1","VJ1038","Mitra, S. N.; Govindasamy, L.; Subramanian, E.","<small>L</small>-Leucyl-<small>L</small>-alanine Dimethyl Sulfoxide Solvate","Acta Crystallographica Section C","1996","52","11","2871","2873","10.1107/S0108270196007743","","","1.54184","CuKα","","","0.075","","","0.083","","","","","1.02","1.02","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005705","10.745","0.001","13.546","0.002","14.3","0.002","90","","90","","90","","2081.4","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[1(1,2,3,3a,6a-η)-1,4-dihydropentalenyl]-μ-[1(1,2,3,3a,6a-η): 2(3a,4,5,6,6a-η)]pentalene-[2(η^5^)-1,2,3,4,5-pentamethylcyclopentadienyl]- cobaltiron","","- C26 H28 Co Fe -","- C26 H28 Co Fe -","- C104 H112 Co4 Fe4 -","4","1","AB1392","Miravitlles, C.; Molins, E.; Maniukiewicz, W.; Mas, M.; Manríquez, J. M.; Chávez, I.; Oelckers, B.; Alvarez-Larena, A.; Briansó, J. L.","Triple-Decker Pentalene Complex of Iron and Cobalt","Acta Crystallographica Section C","1996","52","12","3047","3049","10.1107/S0108270196009961","","","0.71069","MoKα","","0.0882","0.0335","","0.0878","0.0644","","","","0.978","1.116","1.116","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005731","9.625","0.003","20.989","0.003","17.653","0.002","90","","90","","90","","3566.2","1.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 N2 O12 Si2 -","- C32 H46 N2 O12 Si2 -","- C128 H184 N8 O48 Si8 -","4","1","BM1085","Wang, Z.-G.; Liu, S.-G.; Wang, D.; Sui, X.-M.","An Optically Active Pentacoordinate Silicate: (+)-Bis(triethylammonium) Bis[(<i>R</i>,<i>R</i>)-tartrato(4‒)]diphenyldisilicate","Acta Crystallographica Section C","1996","52","12","3179","3181","10.1107/S0108270196009432","","","0.71073","MoKα","","","0.049","","","0.064","","","","","2.11","2.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005734","5.806","0.001","7.714","0.002","17.081","0.003","90","","90","","90","","765","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Me-alpha-D lyxopyranoside","Methyl alpha-D lyxopyranoside","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","BM1092","Evdokimov, A. G.; Frolow, F.","Methyl α-<small>D</small>-Lyxopyranoside","Acta Crystallographica Section C","1996","52","12","3218","3219","10.1107/S0108270196009122","","","0.71073","MoKα","","0.0599","0.0577","","0.1502","0.1464","","","","1.073","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005738","10.806","0.001","21.947","0.004","9.614","0.004","90","","90","","90","","2280","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S),(E)-5-Methoxycarbonyl-2-triphenylmethylaminohex-4-en-4-olide","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","BM1098","Nastopoulos, V.; Athanassopoulos, C.; Papaioannou, D.; Gavuzzo, E.","(<i>S</i>),(<i>E</i>)-5-Methoxycarbonyl-2-triphenylmethylaminohex-4-en-4-olide","Acta Crystallographica Section C","1996","52","12","3227","3229","10.1107/S0108270196011158","","","1.5418","CuKα","","0.0406","0.0347","","0.0977","0.0963","","","","1.045","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005739","6.276","0.001","15.232","0.001","16.616","0.002","90","","90","","90","","1588.4","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Z-N-formylnornuciferin","4,5,6a,7-tetrahydro-1,2-dimethoxy-6H-dibenzo[de,g]quinoline-6-carbaldehyde","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","BM1101","Simonsen, O.; Singh, S. K.; Wengel, J.; Parmar, V. S.","(<i>Z</i>)-<i>N</i>-Formylnornuciferin Isolated from <i>Piper argyrophylum</i>","Acta Crystallographica Section C","1996","52","12","3195","3196","10.1107/S0108270196010360","","","0.71073","MoKα","","0.095","0.041","","0.03","0.028","","","","2.131","2.484","2.484","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005741","8.518","0.002","16.514","0.003","17.25","0.003","90","","90","","90","","2426.5","0.8","150","0.2","150","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5R-(2,3,4-Tri-O-acetyl-β-D-xylopyranosyl)-5-(2,3-O-isopropylidene- 1-O-methyl-α-D-lyxo-tetrafuranos-4-yl)-4,5-dihydroisoxazole","","- C22 H31 N O12 -","- C22 H31 N O12 -","- C88 H124 N4 O48 -","4","1","BM1111","Ferguson, W. J.; Parsons, S.; Paton, R. M.","The Major Isoxazoline Cycloadduct from Reaction of a Xylopyranosylnitrile Oxide with a Hex-5-enopyranoside","Acta Crystallographica Section C","1996","52","12","3067","3069","10.1107/S010827019601178X","","","1.54184","CuKα","","0.0827","0.0569","","0.1226","0.1073","","","","1.065","1.076","1.076","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005751","5.739","0.001","7.621","0.002","36.561","0.005","90","","90","","90","","1599.1","0.6","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N S -","- C18 H14 Cl N S -","- C72 H56 Cl4 N4 S4 -","4","1","","","(E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-(phenylthio)acrylonitrile","Acta Crystallographica C","1996","52","","2945","2947","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005769","6.4957","0.0006","24.723","0.002","5.1393","0.0004","90","","90","","90","","825.34","0.12","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","FG1227","Davidson, J. S.; Trotter, J.","5-(2-Aminophenyl)-1,3,4-oxadiazol-2(3<i>H</i>)-one","Acta Crystallographica Section C","1996","52","12","3236","3238","10.1107/S0108270196011912","","","1.5418","CuKα","","0.055","0.031","","0.049","0.041","","","","1.6","1.51","1.51","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005771","15.962","0.002","5.218","0.002","9.613","0.002","90","","90","","90","","800.7","0.4","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-acetylbenzoic acid, phthalide form","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","FR1004","Dobson, A. J.; Gerkin, R. E.","2-Acetylbenzoic Acid: Phthalide Form","Acta Crystallographica Section C","1996","52","12","3078","3081","10.1107/S0108270196010414","","","0.71073","MoKα","","","0.027","","","0.034","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005773","7.46","0.001","17.118","0.003","20.707","0.003","90","","90","","90","","2644.3","0.7","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pregnenolone-4-allyloxybenzoate","Pregn-5-en-20-one-3-yl_4-allyloxybenzoate","","- C31 H40 O4 -","- C31 H40 O4 -","- C124 H160 O16 -","4","1","HA1161","Tomlin, D. W.; Bunning, T. J.; McHugh, C. M.; Adams, W. W.","Oxopregnenyl 4-Allyloxybenzoate","Acta Crystallographica Section C","1996","52","12","3181","3183","10.1107/S0108270196005562","","","0.71073","MoKα","","","0.079","","","0.053","","","","","2.473","2.473","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005774","33.01","0.03","7.915","0.004","7.096","0.004","90","","90","","90","","1854","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-5,6-Dimethoxy-1,2,3,4-tetrahydro-2-naphthalenamine (S)-mandelic acid salt","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","HA1167","Fantucci, M.; Montanari, S.; Santangelo, F.; Ianelli, S.; Nardelli, M.","(<i>S</i>)-5,6-Dimethoxy-1,2,3,4-tetrahydro-2-naphthalenamine‒ <small>L</small>-(+)-Mandelic Acid (1/1): the Absolute Configuration of a Precursor of the Active Stereoisomer of 5,6-ADTN, an Important Dopaminergic Agonist","Acta Crystallographica Section C","1996","52","12","3147","3150","10.1107/S0108270196009614","","","1.54178","CuKα","","0.072","0.0302","","0.0768","0.0602","","","","1.027","1.099","1.099","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005780","7.939","0.002","7.713","0.003","25.291","0.006","90","","90","","90","","1548.7","0.8","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","KA1169","Mahler, C. H.; Stevens, E. D.; Trudell, M. L.; Nolan, S. P.","({-})-Thebaine","Acta Crystallographica Section C","1996","52","12","3193","3195","10.1107/S0108270196005392","","","0.71073","Mo-Kα","","","0.042","","","0.054","","","","","1.874","1.874","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2005781","9.4429","0.0006","11.3908","0.0008","21.123","0.002","90","0.007","90","0.008","90","0.005","2272","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5S,1'S)-3-benzyl-5-[1'-(tert-butoxycarbonylamino)- -2'-phenylethyl]-4,5-dihydrofuran-2(3H)-one","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C96 H116 N4 O16 -","4","1","KA1190","Sopková, J.; Vojtísek, P.; Litera, J.; Soucek, M.","(3<i>S</i>,5<i>S</i>,1'<i>S</i>)-3-Benzyl-5-[1'-(<i>tert</i>-butoxycarbonylamino)-2'-phenylethyl]-4,5-dihydrofuran-2(3<i>H</i>)-one","Acta Crystallographica Section C","1996","52","12","3165","3167","10.1107/S0108270196009754","","","0.71073","MoKα","","0.0709","0.0325","","0.0876","0.0744","","","","1.045","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005791","6.699","0.0015","9.3743","0.0003","12.892","0.004","90","","90","","90","","809.6","0.3","293","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,4-dimethylcycohexan-1.3-dione","","- C8 H12 O2 -","- C8 H12.624 O2 -","- C32 H50.496 O8 -","4","1","LI1150","Barnes, J. C.","Hydrogen Bonding in 4,4-Dimethylcyclohexane-1,3-dione and 2,5,5-Trimethylcyclohexane-1,3-dione Monohydrate","Acta Crystallographica Section C","1996","52","12","3159","3162","10.1107/S0108270196008980","","","0.71069","MoKα","","0.0557","0.0387","","0.0986","0.0873","","","","0.564","0.637","0.637","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005801","22.37","0.003","5.692","0.001","9.39","0.002","90","","90","","90","","1195.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (1R,2R)-1-cyano-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane- 1-carboxylate","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","MU1282","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.; López, M. P.","Methyl (1<i>R</i>,2<i>R</i>)- and (1<i>S</i>,2<i>S</i>)-1-Cyano-2-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate","Acta Crystallographica Section C","1996","52","12","3210","3213","10.1107/S0108270196010281","","","0.71073","MoKα","","0.0496","0.0424","","0.1156","0.1083","","","","1.036","1.046","1.046","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005802","5.911","0.001","9.445","0.002","22.051","0.004","90","","90","","90","","1231.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (1S,2S)-1-cyano-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane- 1-carboxylate","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","MU1282","Cativiela, C.; Díaz-de-Villegas, M. D.; Gálvez, J. A.; Jiménez, A. I.; López, M. P.","Methyl (1<i>R</i>,2<i>R</i>)- and (1<i>S</i>,2<i>S</i>)-1-Cyano-2-[(<i>S</i>)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropane-1-carboxylate","Acta Crystallographica Section C","1996","52","12","3210","3213","10.1107/S0108270196010281","","","0.71073","MoKα","","0.104","0.0675","","0.1897","0.1594","","","","1.021","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005813","8.542","0.006","13.823","0.008","22.941","0.012","90","","90","","90","","2709","3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3α, 4α, 8α, 9α-diépoxy-cis-himachalane","","- C15 H24 O2 -","- C15 H24 O2 -","- C120 H192 O16 -","8","2","PA1242","Chiaroni, A.; Riche, C.; Lassaba, E.; Benharref, A.","2α,3α:7α,8α-Diépoxy-<i>cis</i>-himachalane","Acta Crystallographica Section C","1996","52","12","3240","3243","10.1107/S0108270196008797","","","0.7107","MoKα","","","0.0538","","","0.0757","","","","","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005814","21.562","0.003","14.055","0.002","8.072","0.001","90","","90","","90","","2446.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","quitenidinium ethyl ester ethyl sulfate","","","- C23 H32 N2 O8 S -","- C23 H32 N2 O8 S -","- C92 H128 N8 O32 S4 -","4","1","SK1021","Lewinski, K.; Nitek, W.; Oleksyn, B. J.; Kostrzewa, A.; Lipinska, T.; Suszko-Purzycka, A.","Quitenidinium Ethyl Ester Ethyl Sulfate","Acta Crystallographica Section C","1996","52","12","3121","3124","10.1107/S0108270196009572","","","1.54178","CuKα","","0.0356","0.0356","","0.0984","0.0984","","","","1.06","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005823","5.1536","0.0002","12.4441","0.0003","41.2592","0.0011","90","","90","","90","","2646.03","0.14","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 Cl N3 O5 -","- C28 H30 Cl N3 O5 -","- C112 H120 Cl4 N12 O20 -","4","1","SX1013","Janetka, J. W.; Satyshur, K. A.; Rich, D. H.","A Cyclic Side-Chain-Linked Biphenyl Ether Tripeptide: H~3~N^+^-<i>cyclo</i>-[Phe^(4{-^<i>O</i>)}-Phe-Phe^(3{-^<i>O</i>)}]-OMe.Cl^{-^}","Acta Crystallographica Section C","1996","52","12","3112","3114","10.1107/S0108270196009262","","","0.71073","MoKα","","0.0631","0.0497","","0.1198","0.1033","","","","1.173","1.129","1.129","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005826","32.492","0.008","7.756","0.003","5.817","0.002","90","","90","","90","","1465.9","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(S)-(4,5-dihydro-2-phenyl-4-oxazolyl)methyl]-(S)-sulfinylphenol","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","SX1014","Hempel, A.; Camerman, N.; Grierson, J.; Mastropaolo, D.; Camerman, A.","Stereochemistry of Chiral Sulfoxides used for the Synthesis of Antitumor Antibiotic Analogues of Sparsomycin","Acta Crystallographica Section C","1996","52","12","3207","3210","10.1107/S0108270196009948","","","1.54178","CuKα","","0.0737","0.0535","","0.1739","0.1623","","","","1.002","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005859","4.898","0.001","12.925","0.002","13.875","0.001","90","","90","","90","","878.4","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acetyl-L-glutamic acid","","","- C7 H11 N O5 -","- C7 H11 N O5 -","- C28 H44 N4 O20 -","4","1","FG1211","Dobson, A. J.; Gerkin, R. E.","<i>N</i>-Acetyl-<small>L</small>-glutamic Acid","Acta Crystallographica Section C","1997","53","1","73","76","10.1107/S0108270196011882","","","0.71073","MoKα","","","0.031","","","0.039","","","","","1.66","1.66","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005870","4.8781","0.001","10.475","0.001","30.2952","0.001","90","","90","","90","","1548","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Pyrazole-κN^2^)[N-salicylidene-κO-(S)-alaninato-κN,κO]copper(II) Dihydrate","","- C13 H17 Cu N3 O5 -","- C13 H17 Cu N3 O5 -","- C52 H68 Cu4 N12 O20 -","4","1","JZ1116","Warda, S. A.; Friebel, C.; Sivý, J.; Plesch, G.; Bláhová, M.","(Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Dihydrate and (Pyrazole-κ<i>N</i>^2^)[<i>N</i>-salicylidene-κ<i>O</i>-(<i>R</i>,<i>S</i>)-alaninato-κ^2^<i>N</i>,<i>O</i>]copper(II) Pyrazole Solvate","Acta Crystallographica Section C","1997","53","1","50","54","10.1107/S0108270196010992","","","1.54178","CuKα","","0.0436","0.0423","","0.1166","0.1152","","","","1.037","1.041","1.041","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005880","6.09","0.004","7.66","0.004","10.356","0.007","90","","90","","90","","483.1","0.5","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phosphonoacetic acid","","- C2 H5 O5 P -","- C2 H5 O5 P -","- C8 H20 O20 P4 -","4","1","MU1260","Lis, T.","Phosphonoacetic Acid (H~3~AP) and its Salts KH~2~AP.H~2~ O, (NH~4~)H~2~AP, LiH~2~AP, NaH~2~AP.2H~2~ O, K~2~HAP, (NH~4~)~2~HAP, Na~2~HAP.2H~2~ O, (NH~4~)~3~AP.2H~2~ O and Na~3~AP.10H~2~O","Acta Crystallographica Section C","1997","53","1","28","42","10.1107/S0108270196009390","","","0.71073","MoKα","","0.0318","0.0252","","0.0712","0.068","","","","1.127","1.135","1.135","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005911","13.098","0.003","13.211","0.003","12.578","0.003","90","","90","","90","","2176.5","0.9","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[1,2-bis(dimethylamino)ethane]tetrachlorothorium(IV)","","- C12 H32 Cl4 N4 Th -","- C12 H32 Cl4 N4 Th -","- C48 H128 Cl16 N16 Th4 -","4","1","BK1289","Rabinovich, D.; Schimek, G. L.; Pennington, W. T.; Nielsen, J. B.; Abney, K. D.","Tetrachlorobis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-<i>N</i>,<i>N</i>')thorium(IV)","Acta Crystallographica Section C","1997","53","2","191","193","10.1107/S0108270196012796","","","0.71073","MoKα","","0.036","0.0313","","0.036","0.0356","","","","","1.65","1.65","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2005923","8.83","0.002","9.363","0.002","10.134","0.002","90","","90","","90","","837.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-deoxy-Me-α-D-mannopyranoside","3-deoxy Methyl-α-D-arabino hexopyranoside","","- C7 H14 O5 -","- C7 H14 O5 -","- C28 H56 O20 -","4","1","CF1140","Evdokimov, A. G.; Frolow, F.","Methyl 3-Deoxy-α-<small>D</small>-<i>arabino</i>-hexopyranoside","Acta Crystallographica Section C","1997","53","2","264","266","10.1107/S0108270196012863","","","0.71073","MoKα","","0.0788","0.0593","","0.1197","0.1072","","","","1.078","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005925","6.776","0.001","17.928","0.001","21.642","0.001","90","","90","","90","","2629.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9β-hydroxy-28-methoxy-11,28-dioxo-1,2-dinor-10α-18β-olean-12-en-3,10β-olide","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","CF1142","Gzella, A.; Zaprutko, L.; Wrzeciono, U.","Triterpenoide. X. Über neue isomere Triterpenlactone","Acta Crystallographica Section C","1997","53","2","261","264","10.1107/S0108270196012887","","","1.54178","CuKα","","0.0495","0.0404","","0.1224","0.117","","","","1.061","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005927","10.701","0.001","12.771","0.002","18.751","0.002","90","","90","","90","","2562.6","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9α-hydroxy-28-methoxy-11,28-dioxo-1,2-dinor-10α-18α-olean-12-en-3,10β-olide","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","CF1142","Gzella, A.; Zaprutko, L.; Wrzeciono, U.","Triterpenoide. X. Über neue isomere Triterpenlactone","Acta Crystallographica Section C","1997","53","2","261","264","10.1107/S0108270196012887","","","1.54178","CuKα","","0.0536","0.0411","","0.1222","0.117","","","","1.086","1.114","1.114","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005931","8.7563","0.0001","9.0187","0.0002","16.9354","0.0004","90","","90","","90","","1337.4","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-O-isopropylidene-3-acetamido-5-O-acetyl-D-ribofuranose","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C48 H76 N4 O24 -","4","1","FG1209","Abboud, K. A.; Parr, I. B.; Horenstein, B. A.","3-Acetamido-5-<i>O</i>-acetyl-1,2-<i>O</i>-isopropylidene-<small>D</small>-ribofuranose","Acta Crystallographica Section C","1997","53","2","245","247","10.1107/S0108270196012498","","","0.71073","MoKα","","0.0354","0.0305","","0.0932","0.0729","","","","1.092","1.084","1.084","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2005938","8.4083","0.0007","9.404","0.0013","15.9899","0.0013","90","","90","","90","","1264.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","His-Gly dihydrochloride","L-Histidyl-glycine dihydrochloride","","- C8 H14 Cl2 N4 O3 -","- C8 H14 Cl2 N4 O3 -","- C32 H56 Cl8 N16 O12 -","4","1","JZ1143","Steiner, Th.","<small>L</small>-Histidylglycinium Dichloride","Acta Crystallographica Section C","1997","53","2","255","257","10.1107/S0108270196010682","","","1.54176","CuKα","","0.0333","0.0324","","0.0916","0.091","","","","1.094","1.105","1.105","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005954","7.163","0.002","37.56","0.01","5.113","0.003","90","","90","","90","","1375.6","1","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,13-tridecanediol","","","- C13 H28 O2 -","- C13 H28 O2 -","- C52 H112 O8 -","4","1","TA1115","Nakamura, N.; Tanihara, Y.; Takayama, T.","1,13-Tridecanediol","Acta Crystallographica Section C","1997","53","2","253","255","10.1107/S010827019601390X","","","1.5418","CuKα","","0.0755","0.0474","","0.1079","0.0758","","","","1.397","1.102","1.102","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2005957","9.339","0.002","18.136","0.003","7.615","0.002","90","","90","","90","","1289.8","0.5","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)~589~-Λ-amminebromobis(ethylenediamine-N.N')cobalt(III) dibromide","","- C4 H19 Br3 Co N5 -","- C4 H19 Br3 Co N5 -","- C16 H76 Br12 Co4 N20 -","4","1","TA1130","Nakagawa, H.; Ohba, S.; Asakura, K.; Miura, T.; Tanaka, A.; Osanai, S.","(+)~589~-Λ-Amminebromobis(ethylenediamine-<i>N</i>,<i>N</i>')cobalt(III) Dibromide","Acta Crystallographica Section C","1997","53","2","216","217","10.1107/S0108270196013479","","","0.71073","MoKα","","","0.0448","","","0.0324","","","","","1.48","1.48","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2005984","4.683","0.001","10.482","0.002","22.529","0.005","90","","90","","90","","1105.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-bis(p-fluorophenyl)-triazene","","- C12 H9 F2 N3 -","- C12 H9 F2 N3 -","- C48 H36 F8 N12 -","4","1","CF1138","Anulewicz, R.","1,3-Bis(<i>p</i>-fluorophenyl)triazene","Acta Crystallographica Section C","1997","53","3","345","346","10.1107/S0108270196013881","","","1.54178","CuKα","","0.0667","0.0466","","0.1376","0.1207","","","","1.013","1.1","1.1","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005988","12.092","0.004","20.54","0.002","7.772","0.002","90","","90","","90","","1930.3","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(exo-mercapto)-2'-thioxo-(1R, 1R')-3-(exo),3'-(exo)-bibornanyl","","- C20 H32 S2 -","- C20 H32 S2 -","- C80 H128 S8 -","4","1","FG1199","Kwiatkowski, W.; Cameron, T. S.; Salama, P.; Poirier, M.","(1<i>R</i>,1<i>R</i>')-2-<i>exo</i>-Mercapto-2'-thioxo-3-<i>exo</i>,3'-<i>exo</i>-bibornane, 2-Dehydro-2,2'-<i>exo</i>-epidithio-3,3'-bibornane and 2-<i>endo</i>,2'-<i>exo</i>-Epidithio-3,3'-bibornanylidene. Potential Antiviral Agents","Acta Crystallographica Section C","1997","53","3","387","391","10.1107/S0108270196012085","","","1.54178","CuKα","","0.0359","0.0314","","0.084","0.0816","","","","1.026","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005989","11.353","0.004","22.289","0.002","7.468","0.001","90","","90","","90","","1889.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-dehydro-2,2'-(exo)-epidithio-3,3'-bibornane","","- C20 H30 S2 -","- C20 H30 S2 -","- C80 H120 S8 -","4","1","FG1199","Kwiatkowski, W.; Cameron, T. S.; Salama, P.; Poirier, M.","(1<i>R</i>,1<i>R</i>')-2-<i>exo</i>-Mercapto-2'-thioxo-3-<i>exo</i>,3'-<i>exo</i>-bibornane, 2-Dehydro-2,2'-<i>exo</i>-epidithio-3,3'-bibornane and 2-<i>endo</i>,2'-<i>exo</i>-Epidithio-3,3'-bibornanylidene. Potential Antiviral Agents","Acta Crystallographica Section C","1997","53","3","387","391","10.1107/S0108270196012085","","","1.54178","CuKα","","0.0323","0.0297","","0.0787","0.0773","","","","1.055","1.061","1.061","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005990","12.335","0.001","21.044","0.002","7.293","0.002","90","","90","","90","","1893.1","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(endo),2'-(exo)-epidithio-3,3'-bibornanylidene","","- C20 H30 S2 -","- C20 H30 S2 -","- C80 H120 S8 -","4","1","FG1199","Kwiatkowski, W.; Cameron, T. S.; Salama, P.; Poirier, M.","(1<i>R</i>,1<i>R</i>')-2-<i>exo</i>-Mercapto-2'-thioxo-3-<i>exo</i>,3'-<i>exo</i>-bibornane, 2-Dehydro-2,2'-<i>exo</i>-epidithio-3,3'-bibornane and 2-<i>endo</i>,2'-<i>exo</i>-Epidithio-3,3'-bibornanylidene. Potential Antiviral Agents","Acta Crystallographica Section C","1997","53","3","387","391","10.1107/S0108270196012085","","","1.54178","CuKα","","0.1127","0.0536","","0.1494","0.1254","","","","1","1.034","1.034","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2005995","10.154","0.001","10.923","0.001","16.698","0.002","90","","90","","90","","1852","0.3","295.2","","295.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","HA1168","Rodríguez, A. D.; González, E.; Huang, S. D.","Euniciniatin","Acta Crystallographica Section C","1997","53","3","311","313","10.1107/S010827019601308X","","","0.7107","MoKα","","","0.0585","","","0.0672","","","","","1.584","1.584","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006040","7.4918","0.0007","11.3118","0.0013","24.245","0.003","90","","90","","90","","2054.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aS,6R,7R,7aR)-Menthyl 1,6,7,7a-tetrahydro-3,3-dimethyl-1-oxo-3a,6- epoxyisobenzofuran-7-carboxylate","","- C21 H30 O5 -","- C21 H30 O5 -","- C84 H120 O20 -","4","1","BM1116","Breu, J.; Butz, T.; Range, K.-J.; Sauer, J.","Configurations of Cycloadducts Formed in Asymmetric Intramolecular Diels‒Alder Reactions","Acta Crystallographica Section C","1997","53","4","515","517","10.1107/S010827019601579X","","","0.71069","MoKα","","0.0504","0.0367","","0.0875","0.0821","","","","1.016","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006056","10.4082","0.0017","19.453","0.004","7.3882","0.0019","90","","90","","90","","1495.9","0.5","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(SR,1R,2S)-1-(t-Butylsulfinyl)-2-(hydroxymethyl)ferrocene","","- C15 H20 Fe O2 S -","- C15 H20 Fe O2 S -","- C60 H80 Fe4 O8 S4 -","4","1","FG1237","Robinson, P. D.; Hua, D. H.; Lagneau, N. M.; Robben, P. M.; Meyers, C. Y.","(S<i>R</i>,1<i>R</i>,2<i>S</i>)-1-(<i>tert</i>-Butylsulfinyl)2-(hydroxymethyl)ferrocene","Acta Crystallographica Section C","1997","53","4","445","447","10.1107/S0108270196014916","","","0.71069","MoKα","","","0.039","","","0.036","","","","","1.17","1.17","","","","","has coordinates","191858","2020-10-21","18:00:00",""
"2006081","8.468","0.002","9.778","0.003","15.193","0.001","90","","90","","90","","1258","0.5","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-hydroxy-2-méthylpyrrolidin-2-yl] phosphonate de diéthyle","","- C9 H20 N O4 P -","- C9 H20 N O4 P -","- C36 H80 N4 O16 P4 -","4","1","PA1234","Barbati, S.; Siri, D.; Tordo, P.; Reboul, J.-P.","(<i>N</i>-Hydroxy-2-méthylpyrrolidin-2-yl)phosphonate de Diéthyle","Acta Crystallographica Section C","1997","53","4","461","463","10.1107/S0108270196014448","","","0.71069","MoKα","","0.033","0.033","","0.032","0.032","","","","0.21","0.21","0.21","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006082","6.6446","0.0005","9.4721","0.0008","35.046","0.002","90","","90","","90","","2205.7","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(thian-5-one-1,1-dioxide)-3-spiro-3'-(5'-O-tert-butyldimethylsilyl-3'- deoxy-1',2'-O-isopropylidene-alpha-D-xylo-pentofuranose)","","- C18 H32 O7 S Si -","- C18 H32 O7 S Si -","- C72 H128 O28 S4 Si4 -","4","1","PA1244","Bernardinelli, G.; Tronchet, J. M. J.; Kovacs, I.","Absolute Structure of (Thian-5-one 1,1-dioxide)-3-spiro-3'-(5'-<i>O</i>-<i>tert</i>-butyldimethylsilyl-3'-deoxy-1',2'-<i>O</i>-isopropylidene-α-<small>D</small>-<i>xylo</i>-pentofuranose), a Novel Type of Spirosugar","Acta Crystallographica Section C","1997","53","4","511","513","10.1107/S010827019601445X","","","1.54184","CuKα","","0.068","0.059","","0.048","0.041","","","","3.432","3.101","3.101","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006084","7.473","0.002","13.971","0.006","21.769","0.011","90","","90","","90","","2272.8","1.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","méthyl (2R,5S)-1-N-benzyl-5-méthoxycarbonylprolyl-(2S)-phénylalaninate","","- C24 H28 N2 O5 -","- C24 H28 N2 O5 -","- C96 H112 N8 O20 -","4","1","PA1246","Chiaroni, A.; Riche, C.; Zair, T.; Guenoun, F.; Lazaro, R.; Viallefont, P.","Méthyl <i>N</i>-[(2<i>R</i>,5<i>S</i>)-1-<i>N</i>-Benzyl-5-méthoxycarbonylprolyl]-(<i>S</i>)-phénylalaninate","Acta Crystallographica Section C","1997","53","4","459","461","10.1107/S0108270196014606","","","1.5418","CuKα","","","0.075","","","0.107","","","","","1.09","1.09","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2006102","6.8175","0.0008","10.762","0.002","13.71","0.002","90","","90","","90","","1006","0.3","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Br Cu N2 O3 -","- C6 H11 Br Cu N2 O3 -","- C24 H44 Br4 Cu4 N8 O12 -","4","1","","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","","539","543","","","","","","","","0.0292","","","0.0516","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006103","7.6203","0.0004","10.2094","0.0009","14.045","0.002","90","","90","","90","","1092.7","0.2","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Br Cu N2 O4 -","- C6 H11 Br Cu N2 O4 -","- C24 H44 Br4 Cu4 N8 O16 -","4","1","DE1046","Chen, Wei; Lim, Meng-chay","Two Isomeric Bis(n-propionamidoalaninato)copper(II) Hydrate Complexes, [Cu(C~6~H~11~N~2~O~3~)~2~].H~2~O","Acta Crystallographica Section C","1997","53","5","539","543","10.1107/S0108270196015417","","","","","","","0.0478","","","0.1148","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2006110","14.4649","0.0009","18.015","0.002","8.0881","0.0008","90","","90","","90","","2107.6","0.3","20","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1aS]-6-amino-8{[(aminocarbonyl)oxy]methyl}-1,1a,2,8,8a,8b- hexahydro-8a-methoxy-5-phenylthiomethylazirino[2',3':3,4]- pyrrolo[1,2-a]indole-4,7-dione","","- C21 H22 N4 O5 S -","- C21 H22 N4 O5 S -","- C84 H88 N16 O20 S4 -","4","1","FR1007","Sugaya, Nobutaka; Fujii, Isao; Hirayama, Noriaki; Arai, Hitoshi; Kasai, Masaji","Structural Studies of Mitomycins. IX. 6-Demethyl-6-(phenylthiomethyl)mitomycin C","Acta Crystallographica Section C","1997","53","5","610","612","10.1107/S0108270196015612","","","1.5418","CuKα","","","0.052","","","0.08","","","","","2.38","2.38","","","","","has coordinates,has disorder","194531","2020-10-21","18:00:00",""
"2006143","6.0178","0.0006","28.449","0.003","8.0272","0.0009","90","","90","","90","","1374.3","0.3","294","1","294","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-Phenyldibenzophosphole","","- C18 H13 P -","- C18 H13 P -","- C72 H52 P4 -","4","1","QA0001","Meehan, Paul R.; Alyea, Elmer C.; Ferguson, George","5-Phenyldibenzophosphole, Polymorph 2","Acta Crystallographica Section C","1997","53","5","IUC9700001","","10.1107/S0108270197099526","","","0.7107","MolybdenumKα","","0.0909","0.0495","","0.1473","","0.1297","","","0.971","","","1.09","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006168","12.231","0.002","13.643","0.003","7.733","0.003","90","","90","","90","","1290.4","0.6","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","AB1426","Kennedy, Alan R.; Khalaf, Abedawn I.","<i>N</i>,<i>N</i>-Diacetyl-2,5-dimethyl-6-nitroaniline","Acta Crystallographica Section C","1997","53","6","744","746","10.1107/S0108270197002564","","","0.71069","MoKα","","0.1372","0.0682","","0.0537","0.0456","","","","","1.2","1.2","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006169","7.473","0.0011","8.286","0.0011","17.527","0.002","90","","90","","90","","1085.3","0.2","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Benzo[b]thien-2-yl-5,6-dihydro-1,4,2-oxathiazine, 4-oxide","","- C11 H9 N O2 S2 -","- C11 H9 N O2 S2 -","- C44 H36 N4 O8 S8 -","4","1","AB1427","Gallagher, John F.; Ferguson, George; Brouwer, Walter G.","3-(Benzo[<i>b</i>]thien-2-yl)-5,6-dihydro-1,4,2-oxathiazine 4-Oxide","Acta Crystallographica Section C","1997","53","6","823","825","10.1107/S0108270196014539","","","0.7107","MolybdenumKα","","0.0307","0.0257","","0.0732","0.0714","","","","1.06","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006172","6.1863","0.0002","12.5481","0.0004","19.8831","0.0006","90","","90","","90","","1543.45","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-leucyl-L-alanine tetrahydrate","","- C9 H26 N2 O7 -","- C9 H26 N2 O7 -","- C36 H104 N8 O28 -","4","1","AB1443","Görbitz, Carl Henrik","Cyclic Water Pentamers in <small>L</small>-Leucyl-<small>L</small>-alanine Tetrahydrate","Acta Crystallographica Section C","1997","53","6","736","739","10.1107/S0108270196015946","","","0.71073","MoKα","","0.0455","0.038","","0.0905","0.0857","","","","1.142","1.137","1.137","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006221","8.939","0.002","9.36","0.002","11.438","0.002","90","","90","","90","","957","0.3","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Oxalyl chloride dimesylamide","","- C4 H6 Cl N O6 S2 -","- C4 H6 Cl N O6 S2 -","- C16 H24 Cl4 N4 O24 S8 -","4","1","FG1267","Dalluhn, Jörg; Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXII. Oxalyl Chloride Dimesylamide","Acta Crystallographica Section C","1997","53","6","781","783","10.1107/S0108270197002096","","","0.71073","MoKα","","0.0208","0.0201","","0.0575","0.0526","","","","1.073","1.075","1.075","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006223","5.0997","0.0009","9.174","0.001","28.375","0.005","90","","90","","90","","1327.5","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-diaziridinyl-3-phenylquinone","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","HA1183","Hargreaves, Rob H. J.; Mayalarp, Stephen P.; Butler, John; Lee, Moses; Pennington, William T.","2,5-Diaziridinyl-3-phenyl-<i>p</i>-benzoquinone","Acta Crystallographica Section C","1997","53","6","749","751","10.1107/S0108270197001224","","","1.54178","CuKα","","0.0759","0.0451","","0.1226","0.1094","","","","0.861","1.029","1.029","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006224","6.212","0.001","10.162","0.005","27.589","0.006","90","","90","","90","","1741.6","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O5 -","- C19 H30 O5 -","- C76 H120 O20 -","4","1","HA1184","Damas, Ana M.; Kijjoa, Anake; Pinto, Madalena","Two Dolabrane-type Diterpenoids","Acta Crystallographica Section C","1997","53","6","755","757","10.1107/S0108270196015752","","","0.71069","MoKa","","0.0422","0.0366","","0.1156","0.0996","","","","1.047","1.053","1.053","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006233","7.4538","0.0006","12.563","0.002","12.983","0.001","90","","90","","90","","1215.8","0.2","297","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 I N O -","- C13 H10 I N O -","- C52 H40 I4 N4 O4 -","4","1","MU1303","Elmali, Ayhan; Elerman, Yalc̨in","2-[(2-Iodophenyl)iminomethyl]phenol","Acta Crystallographica Section C","1997","53","6","791","793","10.1107/S0108270197000619","","","0.71069","MoKα","","0.0235","0.0217","","0.0589","0.0577","","","","1.093","1.093","1.093","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006235","10.75","0.002","26.735","0.006","10.533","0.001","90","","90","","90","","3027.2","0.9","293","","20","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O11 -","- C31 H50 O11 -","- C124 H200 O44 -","4","1","NA1249","Chen, Hao; Tan, Ren-Xiang; Liu, Zhi-Li; Zhao, Cong-Yuan; Sun, Jie","A Clerodane Diterpene with Antibacterial Activity from <i>Ajuga lupulina</i>","Acta Crystallographica Section C","1997","53","6","814","816","10.1107/S0108270196013637","","","0.7107","MoKα","","0.0679","0.0465","","0.137","0.0614","","","","","2.38","2.38","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006240","15.866","0.002","17.32","0.002","10.3158","0.0009","90","","90","","90","","2834.8","0.5","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O7 -","- C31 H46 O7 -","- C124 H184 O28 -","4","1","OA1013","Limmatvapirat, Sontaya; Yamaguchi, Kentaro; Yonemochi, Etsuo; Oguchi, Toshio; Yamamoto, Keiji","A 1:1 Deoxycholic Acid‒Salicylic Acid Complex","Acta Crystallographica Section C","1997","53","6","803","805","10.1107/S0108270197000899","","","1.5418","CuKα","","","0.0413","","","0.0444","","","","","1.867","1.867","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006275","4.6689","0.0008","11.603","0.001","23.744","0.002","90","0.008","90","0.01","90","0.01","1286.3","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","2-(5-chlorothien-2-ylmethylidenehydrazino)quinoline","","- C14 H10 Cl N3 S -","- C14 H10 Cl N3 S -","- C56 H40 Cl4 N12 S4 -","4","1","BK1314","Mague, Joel T.; Vang, Sue; Berge, Douglas G.; Wacholtz, William F.","Isomerism/Tautomerism in Hydrazones Derived from Thiophenaldehydes and 2-Hydrazinoquinoline","Acta Crystallographica Section C","1997","53","7","973","979","10.1107/S0108270197001212","","","0.71073","MoKα","","0.041","0.027","","","0.038","","","","","1.38","1.38","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2006277","8.5261","0.0007","10.012","0.0007","10.2216","0.0014","90","","90","","90","","872.55","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(N-Boc-amino)acetonitrile","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C28 H48 N8 O8 -","4","1","BM1121","Sood, Geeta; Schwalbe, Carl H.; Fraser, William","(<i>tert</i>-Butoxycarbonylamino)acetonitrile","Acta Crystallographica Section C","1997","53","7","959","961","10.1107/S0108270197002795","","","1.54178","CuKα","","0.0295","0.0286","","0.0843","0.0831","","","","1.084","1.082","1.082","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006282","8.97","0.02","18.89","0.03","8.355","0.008","90","","90","","90","","1416","4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Tetraethyleneneglycol succinate","","- C12 H20 O7 -","- C12 H20 O7 -","- C48 H80 O28 -","4","1","BM1137","Cronin, Leroy; Moore, Madeleine H.; Semlyen, J. Anthony; Wood, Barry R.","A Cyclic Monomer of Tetraethyleneglycol Succinate","Acta Crystallographica Section C","1997","53","7","940","942","10.1107/S0108270197002928","","","0.71069","MoKα","","0.1552","0.0527","","0.3111","0.1395","","","","1.053","1.08","1.08","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006296","8.293","0.001","9.589","0.002","22.698","0.004","90","","90","","90","","1805","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6α,7β-dihydroxyvouacapan-17β-oic acid","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","FG1165","Ruggiero, Silvana Guilardi; Rodrigues, Bernardo Lages; Fernandes, Nelson Goncalves; Stefani, Guglielmo Marconi; Veloso, Dorila Pilo","6α,7β-Dihydroxyvouacapan-17β-oic Acid","Acta Crystallographica Section C","1997","53","7","982","984","10.1107/S0108270196014904","","","0.71073","MoKα","","0.075","0.0492","","0.1581","0.1357","","","","1.216","1.215","1.215","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006340","14.58","0.002","18.5345","0.001","6.4477","0.0001","90","","90","","90","","1742.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5,2'-dithien-2-yl)-2'-deoxyuridine","","- C17 H16 N2 O5 S2 -","- C17 H16 N2 O5 S2 -","- C68 H64 N8 O20 S8 -","4","1","SX1017","Wouters, J.; Creuven, I.; Norberg, B.; Evrard, G.; Durant, F.; van Aerschot, A.; Herdewijn, P.","<i>trans</i>- and <i>cis</i>-S—C—C—S Conformations in 5-(2,2'-Dithien-5-yl)-2'-deoxyuridine","Acta Crystallographica Section C","1997","53","7","892","895","10.1107/S0108270197002813","","","1.5418","CuKα","","0.048","0.0461","","0.116","0.1135","","","","1.065","1.077","1.077","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006374","9.582","0.001","10.495","0.002","13.498","0.003","90","0.2","90","0.3","90","0.3","1357.4","0.4","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 N4 -","- C14 H22 N4 -","- C56 H88 N16 -","4","1","CF1161","Lassaba, Essedyia; Benharref, Ahmed; Giorgi, Michel; Pierrot, Marcel","(1<i>S</i>,6<i>S</i>)-Tetrazolo[1,5-<i>g</i>]-7-aza-<i>trans</i>-himachal-2-ene","Acta Crystallographica Section C","1997","53","8","1139","1141","10.1107/S010827019700365X","","","0.71073","MoKα","","0.056","0.048","","","0.068","","","","","1.829","1.829","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2006401","16.659","0.002","12.571","0.002","11.588","0.002","90","","90","","90","","2426.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ammonium Calcium Tetraborate Octohydrate","","- B8 Ca H32 N2 O26 -","- B8 Ca H32 N2 O26 -","- B32 Ca4 H128 N8 O104 -","4","1","KA1150","Xavier Solans; Joaquim Solans; M. Victoria Domènech","Potassium Strontium Tetraborate Decahydrate and Ammonium Calcium Tetraborate Octahydrate","Acta Crystallographica Section C","1997","53","8","994","997","10.1107/S0108270196007032","","","0.71069","MoKα","","0.026","0.026","","0.067","0.067","","","","1.02","1.02","1.02","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"2006427","9.3767","0.0014","10.6508","0.0008","15.825","0.002","90","","90","","90","","1580.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl 2-O-α-D-mannopyranosyl-β-D-glucopyranoside.","","- C13 H24 O11 -","- C13 H24 O11 -","- C52 H96 O44 -","4","1","SK1034","Eriksson, Lars; Stenutz, Roland; Widmalm, Gőran","Methyl 2-<i>O</i>-α-<small>D</small>-Mannopyranosyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","1997","53","8","1105","1107","10.1107/S0108270197004769","","","1.54184","CuKα","","0.036","0.0329","","0.0801","","","","","1.05","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006431","4.934","0.002","7.422","0.001","48.561","0.001","90","0.01","90","0.02","90","0.02","1778.3","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Dodecanoyl-L-Serine","","- C15 H31 N O5 -","- C15 H31 N O5 -","- C60 H124 N4 O20 -","4","1","SK1078","Schade, Boris; Fuhrhop, Jürgen-Hinrich; Hubert, Vera; Weber, Manuela; Luger, Peter","Hydrogen-Bonding Networks Involving Water in Amphiphilic <i>N</i>-Dodecanoyl-<small>L</small>-serine Monohydrate","Acta Crystallographica Section C","1997","53","8","1070","1073","10.1107/S0108270197004903","","","1.5418","Ni-filteredCuKα","","0.0558","0.0336","","0.0883","0.0787","","","","1.091","1.097","1.097","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006434","7.393","0.001","8.827","0.002","19.907","0.003","90","","90","","90","","1299.1","0.4","122","2","122","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)(R)-5,5-Dimethylmorpholinyl-2-Acetic Acid Ethyl Ester Hydrochloride","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","SK1104","Frydenvang, Karla; Enna, Sam J.; Krogsgaard-Larsen, Povl","({-})-(<i>R</i>)-5,5-Dimethylmorpholinyl-2-acetic Acid Ethyl Ester Hydrochloride, C~10~H~20~NO~3~^+^.Cl^{-^}","Acta Crystallographica Section C","1997","53","8","1088","1091","10.1107/S0108270197004290","","","1.5418","CuKα","","0.0276","0.027","","0.0758","","0.0752","","","1.082","","","1.087","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006436","7.0337","0.0002","8.3981","0.0002","37.9873","0.0011","90","","90","","90","","2243.9","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","estrone-3-glucuronide","17-oxoestra-1,3,5(10)-triene-3-yl-b-D-glucopyranosiduronic acid hydrate","","- C24 H32 O9 -","- C24 H29 O9 -","- C96 H116 O36 -","4","1","TA1138","C. Mark Smales; Leonard F. Blackwell; Joyce M. Waters; Anthony K. Burrell","An Estrone‒Glucuronide Conjugate","Acta Crystallographica Section C","1997","53","8","1082","1084","10.1107/S0108270197004629","","","0.71073","MoKα","","0.0636","0.0513","","0.133","0.1135","","","","1.132","1.156","1.156","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006440","7.8642","0.0013","9.423","0.004","14.008","0.004","90","","90","","90","","1038.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N O6 -","- C8 H15 N O6 -","- C32 H60 N4 O24 -","4","1","VJ1056","Sriram, D.; Sreenivasan, H.; Srinivasan, S.; Priya, K.; Vishnu Thirtha, M.; Loganathan, D.","β-1-<i>N</i>-Acetamido-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1997","53","8","1075","1077","10.1107/S0108270197003600","","","0.71073","MoKα","","0.0446","0.0328","","0.076","0.0697","","","","1.111","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006464","14.636","0.002","15.185","0.003","17.928","0.002","90","","90","","90","","3984.5","1.1","293","","293","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","{2,6-bis[(4R,5R)-1,3-dimethyl-4,5-diphenylimidazolidin- 2-yl]pyridine-N^1^,N,N^1^'}chloro-copper(II) hexafluorophosphate methanol solvate","","- C39.5 H43 Cl Cu F6 N5 O0.5 P -","- C39.5 H43 Cl Cu F6 N5 O0.5 P -","- C158 H172 Cl4 Cu4 F24 N20 O2 P4 -","4","1","CF1153","Bohnen, Frank M.; Goddard, Richard; Minidis, Alexander B. E.; Alexakis, Alexandre; Pfaltz, Andreas","A Copper(II) Complex of a New Chiral Tridentate Imidazoline Ligand","Acta Crystallographica Section C","1997","53","9","1236","1238","10.1107/S0108270197003673","","","0.71069","MoKα","","0.196","0.059","","","0.139","0.179","","","","","","1.007","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006465","12.201","0.002","12.8625","0.0014","18.571","0.002","90","","90","","90","","2914.4","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isoalangidiol monoacetate","(3α,18α)-B':A'-Neogammacerane-3,18-diol","","- C32 H54 O3 -","- C32 H54 O3 -","- C128 H216 O12 -","4","1","DE1038","Bhattacharyya, Kinkini; Chaudhuri, Siddhartha; Achari, Basudeb; Mazumdar, Biswanath; Mazumdar, Sunil Kumar","Isoalangidiol Monoacetate, a Triterpene Alcohol","Acta Crystallographica Section C","1997","53","9","1299","1301","10.1107/S0108270196014126","","","0.71073","MoKα","","0.0655","0.0525","","0.1575","0.1353","","","","0.981","1.05","1.05","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006530","7.3706","0.0003","14.3273","0.0007","15.9318","0.0008","90","","90","","90","","1682.41","0.14","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)(4aS,6R,8aS)-4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6H-benzofuro [3a,3,2-ef] [2]benzazepin-6-ol hydrobromide","","- C17 H22 Br N O3 -","- C17 H22 Br N O3 -","- C68 H88 Br4 N4 O12 -","4","1","NA1303","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","({-})-Galanthaminium Bromide","Acta Crystallographica Section C","1997","53","9","1284","1286","10.1107/S0108270197006240","","","1.54184","CuKα","","0.0299","0.0295","","0.0811","","0.0811","","","1.044","","","1.044","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006539","6.93","0.0002","15.5478","0.0015","16.5453","0.0013","90","","90","","90","","1782.7","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5S,2'S,3'S)-3-(3'-hydroxy-2'-methyl-7'-octinoyl)-5-phenyl- 4-methyl-2-oxazolidinone","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","SX1016","Carballo, Rosa; Fernández-Suárez, Miryam; Muñoz, Luis; Riguera, Ricardo; Maichle-Mössmer, Cäcilia","Absolute Configuration of an Intermediate in the Asymmetric Synthesis of Natural β-Hydroxy and β-Amino Acids","Acta Crystallographica Section C","1997","53","9","1312","1314","10.1107/S0108270197005957","","","1.5418","CuKα","","0.0361","0.0348","","0.0948","0.093","","","","1.043","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006542","10.597","0.002","21.337","0.002","5.855","0.001","90","","90","","90","","1323.9","0.4","296","","23","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 N2 O11 S -","- C6 H18 N2 O12 S -","- C24 H72 N8 O48 S4 -","4","1","TA1155","Zhang, Hong; Wang, Ximin; Chang, Xienan; Xiao, Weiqiang; Zhang, Kecong; Teo, Boon K.","An Assessment of Ionic and Hydrogen Bonding in the Crystal Structure of (<small>DL</small>-Serine. H^+^)~2~.SO~4~^2{-^}.H~2~O","Acta Crystallographica Section C","1997","53","9","1286","1288","10.1107/S0108270197006951","","","0.7107","MoKα","","","0.034","","","0.032","","","","","1.95","1.95","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006560","9.127","0.001","10.522","0.001","37.195","0.002","90","","90","","90","","3572","0.6","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tyr-D-Tic","tyrosyl-D-tetrahydroisoquinoline-3-carboxylic acid","","- C19 H23 N2 O5.5 -","- C19 H23 N2 O5.5 -","- C152 H184 N16 O44 -","8","2","BS1028","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; Christi Moore; Robert Cudney; George, Clifford","Tyrosinium-<small>D</small>-tetrahydroisoquinoline-3-carboxylate 1.5-Hydrate and Tyrosyl-<small>D</small>-tetrahydroisoquinoline-3-carboxamide Hydrate","Acta Crystallographica Section C","1997","53","10","1478","1482","10.1107/S0108270197006975","","","1.54178","CuKα","","0.0529","0.0458","","0.1267","0.1207","","","","1.063","1.083","1.083","","","","","has coordinates","203508","2020-10-21","18:00:00",""
"2006566","7.8937","0.0006","10.808","0.002","19.523","0.002","90","","90","","90","","1665.6","0.4","298","2","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6α,7β-dihydroxyvouacapan-17β-lactone","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","CF1155","Abrahão-Junior, Odonirio; Gambardella, Maria Teresa do P.; Ruggiero, Silvana Guilardi; Sacramento, Tania Marcia; Stefani, Guglielmo Marconi; Pilo-Veloso, Dorila","6α-Hydroxyvouacapan-7β,17β-lactone","Acta Crystallographica Section C","1997","53","10","1508","1510","10.1107/S0108270197006057","","","0.71073","MoKα","","0.2099","0.0565","","0.1795","0.1099","","","","1.169","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006593","5.932","0.001","15.12","0.005","23.564","0.006","90","","90","","90","","2113.5","1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-(-)-N,N'-bis(quinoline-2-methylene)-1,2-cyclohexyldiimine","","- C26 H24 N4 -","- C26 H24 N4 -","- C104 H96 N16 -","4","1","KA1231","Adnan S. Abu-Surrah; Timo V. Laine; Timo Repo; Riad Fawzi; Manfred Steimann; Bernhard Rieger","An Enantiomerically Pure Schiff Base Ligand","Acta Crystallographica Section C","1997","53","10","1458","1459","10.1107/S0108270197006148","","","0.71073","MoKα","","0.045","0.0318","","0.0715","0.0677","","","","1.373","1.486","1.486","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006608","10.497","0.002","13.332","0.003","19.369","0.004","90","","90","","90","","2710.6","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S)-(+)-Dicarbonyl[h5-(2,6,6-trimethyl-cyclohepta-2,4-diene-1-on)] triphenylphosphan-iron","","- C30 H29 Fe O3 P -","- C30 H29 Fe O3 P -","- C120 H116 Fe4 O12 P4 -","4","1","NA1298","Petrowitsch, Tanja; Grosser, Rolf; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(2<i>S</i>)-(+)-Dicarbonyl(η^4^-2,6,6-trimethylcyclohepta-2,4-dienone)(triphenylphosphine-<i>P</i>)iron","Acta Crystallographica Section C","1997","53","10","1383","1384","10.1107/S010827019700718X","","","0.71069","MoKα","","0.087","0.034","","0.05","0.044","","","","0.825","0.952","0.952","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006613","9.489","0.001","12.728","0.002","21.415","0.002","90","","90","","90","","2586.4","0.5","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Ethyl-3-(4-methyl-benzolsulfonyl)-2-(4-hydroxy-5- ((1'-hydroxy)-propyl)-2-phenyl-cyclohex-2-ene)-1,3-oxazolidine","","- C27 H35 N O5 S -","- C27 H35 N O5 S -","- C108 H140 N4 O20 S4 -","4","1","QA0020","Bolte, Michael; Monz, Sabine","4-Ethyl-2-[4-hydroxy-5-(1-hydroxypropyl)-2-phenyl-2-cyclohexenyl]-3-tosyl-1,3-oxazolidine","Acta Crystallographica Section C","1997","53","10","IUC9700014","","10.1107/S0108270197099411","","","1.5418","CuKα","","0.046","0.045","","0.1188","0.1169","","","","1.07","1.068","1.068","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006623","6.5362","0.0006","12.4737","0.0012","32.056","0.003","90","","90","","90","","2613.5","0.4","122","1","122","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","quininium (S)-mandelate","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C112 H128 N8 O20 -","4","1","SX1027","Gjerløv, Anne B.; Larsen, Sine","Quininium (<i>S</i>)-Mandelate","Acta Crystallographica Section C","1997","53","10","1505","1508","10.1107/S0108270197006112","","","1.54184","CuKα","","0.0291","0.027","","0.0708","0.07","","","","1.059","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006625","9.6442","0.0012","11.2487","0.0012","15.097","0.002","90","","90","","90","","1637.8","0.3","158","","158","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Aloperine dihydrochloride monohydrate","(6R,7R,9R,11S)‒16,17-Didehydro‒9‒de‒2‒piperidinylormosanine dihydrochloride monohydrate","","- C15 H28 Cl2 N2 O -","- C15 H28 Cl2 N2 O -","- C60 H112 Cl8 N8 O4 -","4","1","SX1032","Brosius, Arthur D.; Ziller, Joseph W.; Zhang, Qiming","Relative and Absolute Configuration of Aloperine","Acta Crystallographica Section C","1997","53","10","1510","1512","10.1107/S0108270197009244","","","0.71073","MoKα","","0.0371","0.0295","","0.0727","0.0693","","","","1.04","1.052","1.052","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006632","5.995","0.001","8.726","0.001","14.535","0.002","90","","90","","90","","760.36","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hygric acid","L-1-Methylproline","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C24 H52 N4 O12 -","4","1","BK1308","Toscano, Rubén A.; Enríquez, Raúl G.; Reynolds, William F.; Magos, Gil A.; Gnecco, Dino","<small>L</small>-1-Methylproline Monohydrate","Acta Crystallographica Section C","1997","53","11","1690","1692","10.1107/S0108270197008706","","","0.71073","MoKα","","0.067","0.048","","0.119","0.108","","","","1.05","1.1","1.1","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2006677","8.3369","0.001","9.506","0.0012","29.565","0.003","90","","90","","90","","2343","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-Benzyldi(methanesulfonyl)amine","","- C9 H13 N O4 S2 -","- C9 H13 N O4 S2 -","- C72 H104 N8 O32 S16 -","8","2","FG1348","Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.","Polysulfonylamines. LXXXIX. <i>N</i>,<i>N</i>-Bis(methylsulfonyl)benzylamine","Acta Crystallographica Section C","1997","53","11","1669","1671","10.1107/S0108270197009177","","","0.71073","MoKα","","0.0386","0.0315","","0.0769","0.0745","","","","1.046","1.086","1.086","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006680","7.278","0.001","12.127","0.003","21.118","0.006","90","","90","","90","","1863.9","0.7","193","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(diethylthiourea)gold(I) percholorate","","- C10 H24 Au Cl N4 O4 S2 -","- C10 H24 Au Cl N4 O4 S2 -","- C40 H96 Au4 Cl4 N16 O16 S8 -","4","1","FR1036","Richard J. Staples; John P. Fackler Jr; Juan Costamagna","Bis(<i>N</i>,<i>N</i>'-dimethylthiourea-<i>S</i>)gold(I) Perchlorate and Bis(<i>N</i>,<i>N</i>'-diethylthiourea-<i>S</i>)gold(I) Perchlorate","Acta Crystallographica Section C","1997","53","11","1555","1558","10.1107/S0108270197008317","","","0.71073","MoKα","","0.1383","0.0915","","0.1714","0.1505","","","","1.116","1.196","1.196","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006695","8.39","0.0009","13.27","0.002","23.258","0.0015","90","","90","","90","","2589.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dimethyl N,N-(Endo-himmoyl)-(R,R)-cysteine","Dimethyl N,N-(Endo-himmoyl)-(R,R)-cysteine","","- C26 H28 N2 O8 S2 -","- C26 H28 N2 O8 S2 -","- C104 H112 N8 O32 S8 -","4","1","KA1223","Hibbs, David E.; Hursthouse, Michael B.; Malik, K. M. Abdul; North, Michael","Dimethyl <i>N</i>,<i>N</i>'-Bis(<i>endo</i>-himmoyl)-(<i>R</i>,<i>R</i>)-cystine","Acta Crystallographica Section C","1997","53","11","1701","1703","10.1107/S0108270197007154","","","0.71069","MoKα","","0.0875","0.0725","","0.1939","0.1851","","","","1.088","1.199","1.199","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006701","7.354","0.001","8.477","0.001","25.511","0.003","90","","90","","90","","1590.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(4-chlorophenyl)amino-6,7,8,9-tetrahydrobenzo(b)thieno[3,2-e]- 1,2,4-triazolo[1,5-c]-pyrimidine.","","- C17 H14 Cl N5 S -","- C17 H13.872 Cl N5 S -","- C68 H55.488 Cl4 N20 S4 -","4","1","MU1295","Velavan, Ramasamy; Sivakumar, Kandasamy; Fun, Hoong-Kun; Pathak, Urvish S.; Jain, Kishor S.; Singh, Sanjay","Two Substituted [1,2,4]Triazole Derivatives","Acta Crystallographica Section C","1997","53","11","1615","1617","10.1107/S0108270197004812","","","0.71073","MoKα","","0.0675","0.0563","","0.1836","0.1461","","","","1.046","1.058","1.058","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006715","6.7832","0.0009","18.325","0.0003","27.751","0.0004","90","","90","","90","","3449.5","0.5","289","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R,R)-Jacobsen Ligand","(1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butyl-salicylidene)","","- C36 H54 N2 O2 -","- C36 H54 N2 O2 -","- C144 H216 N8 O8 -","4","1","NA1304","Yoon, Jae Woong; Yoon, Tae-Sung; Shin, Whanchul","(1<i>R</i>,2<i>R</i>)-({-})-<i>N</i>,<i>N</i>'-Bis(3,5-di-<i>tert</i>-butylsalicylidene)-1,2-cyclohexanediamine: a Salen Ligand of Jacobsen's Catalyst","Acta Crystallographica Section C","1997","53","11","1685","1687","10.1107/S0108270197006379","","","0.71069","MoKα","","0.1362","0.0592","","0.2022","0.1356","","","","1.065","1.021","1.021","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006716","5.47","0.001","18.31","0.004","18.88","0.004","90","","90","","90","","1890.9","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Benzyl-1-(hydroxyamino)-2:3;4:5-di-O-isopropylidene-α-D-mannofuranose","","- C19 H27 N O6 -","- C19 H27 N O6 -","- C76 H108 N4 O24 -","4","1","NA1319","Merino, Pedro; Merchan, Francisco L.; Tejero, Tomas; Franco, Santiago","Chiral Hydroxylamines. IV. 1-(<i>N</i>-Benzyl-<i>N</i>-hydroxyamino)-2:3;4:5-di-<i>O</i>-isopropylidene-α-<small>D</small>-mannofuranose","Acta Crystallographica Section C","1997","53","11","1703","1705","10.1107/S010827019700913X","","","0.71073","MoKα","","0.102","0.069","","0.34","","0.174","","","1.078","","","1.08","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006732","13.303","0.001","13.365","0.001","15.493","0.001","90","","90","","90","","2754.6","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Acetyl-ΔPhe-L-Ala-ΔPhe-D-Ala-Methylester","","- C27 H30 N4 O6 -","- C27 H30 N4 O6 -","- C108 H120 N16 O24 -","4","1","SX1026","Tuzi, Angela; Fissi, Adriano; Pieroni, Osvaldo","Acetyl-ΔPhe-<small>L</small>-Ala-ΔPhe-<small>D</small>-Ala Methyl Ester","Acta Crystallographica Section C","1997","53","11","1696","1698","10.1107/S0108270197007051","","","1.5418","CuKα","","0.054","0.046","","","0.063","","","","","1.87","1.87","","","","","has coordinates","208453","2020-10-21","18:00:00",""
"2006735","10.723","0.003","14.354","0.003","18.592","0.004","90","","90","","90","","2861.6","1.2","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-deacetoxydecinnamoyltaxinine J","","","- C28 H40 O9 -","- C28 H40 O9 -","- C112 H160 O36 -","4","1","SX1035","Davide Viterbo; Marco Milanesio; Giovanni Appendino; Sunil K. Chattopadhyay; Gour C. Saha","1-Hydroxybaccatin I, C~32~H~44~O~14~, and 2-Deacetoxydecinnamoyltaxinine J, C~28~H~40~O~9~","Acta Crystallographica Section C","1997","53","11","1687","1690","10.1107/S0108270197009256","","","0.71069","MoKα","","","0.0553","","","0.1289","","","","","1.125","1.125","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2006740","5.3907","0.0011","12.68","0.002","29.152","0.005","90","","90","","90","","1992.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl N2 O8 -","- C18 H23 Cl N2 O8 -","- C72 H92 Cl4 N8 O32 -","4","1","VJ1040","N. Srinivasan; R.K. Rajaram","<small>L</small>-Phenylalanine <small>L</small>-Phenylalaninium Perchlorate","Acta Crystallographica Section C","1997","53","11","1711","1713","10.1107/S0108270197000577","","","0.71073","MoKα","","0.0789","0.0463","","0.2354","0.1016","","","","1.074","1.151","1.151","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006744","14.341","0.001","15.206","0.001","17.716","0.002","90","","90","","90","","3863.3","0.6","213","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","11S,12S-trans-N,N'-dicyclohexyl-9,10-dihydro-9,10-ethanoanthracene- 11,12-dicarboxamide.cyclohexylamine.dimethylformamide. hydrogen chloride (1:1:1:1)","","- C39 H57 Cl N4 O3 -","- C39 H57 Cl N4 O3 -","- C156 H228 Cl4 N16 O12 -","4","1","AB1479","Helmle, Olga Formerly Olga Gallardo.; Csöregh, Ingeborg; Hens, Thomas; Weber, Edwin","Solid Inclusion Compounds of Chiral Roof-Shaped Diamide Hosts","Acta Crystallographica Section C","1997","53","12","1892","1895","10.1107/S0108270197011335","","","0.71073","MoKα","","0.167","0.084","","0.108","","0.095","","","","","","1.69","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006745","10.004","0.003","9.966","0.003","32.06","0.01","90","","90","","90","","3196.4","1.7","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","11S,12S-trans-N,N'-di-t-butyl-9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxamide. dimethyl sulfuroxide.hydrogen oxide (1:2:1)","","- C30 H46 N2 O5 S2 -","- C30 H46 N2 O5 S2 -","- C120 H184 N8 O20 S8 -","4","1","AB1479","Helmle, Olga Formerly Olga Gallardo.; Csöregh, Ingeborg; Hens, Thomas; Weber, Edwin","Solid Inclusion Compounds of Chiral Roof-Shaped Diamide Hosts","Acta Crystallographica Section C","1997","53","12","1892","1895","10.1107/S0108270197011335","","","0.71073","MoKα","","0.163","0.088","","0.153","","0.108","","","0","","","2.193","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006747","12.4501","0.0009","18.6708","0.0011","7.984","0.0009","90","","90","","90","","1855.9","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O4 Pt -","- C16 H28 N2 O4 Pt -","- C64 H112 N8 O16 Pt4 -","4","1","AB1481","Yuge, Hidetaka; Miyamoto, Takeshi Ken","Dual Behaviour of Acetylacetonate Anions in the Hydrogen-Bonded Supramolecular Structure (Acetylacetonato-<i>O</i>,<i>O</i>')[<i>trans</i>-(1<i>R</i>,2<i>R</i>)-diaminocyclohexane-<i>N</i>,<i>N</i>']platinum(II) Acetylacetonate","Acta Crystallographica Section C","1997","53","12","1816","1819","10.1107/S0108270197010792","","","0.71069","MoKα","","","0.0309","","","0.0615","0.0657","","","","1.028","1.028","1.024","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006754","10.5075","0.0015","10.6251","0.0015","23.407","0.003","90","","90","","90","","2613.2","0.6","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[8S-[7[R*(R*)],8R*]]-7-[2-[[1-(ethoxycarbonyl)-3- phenylpropyl]-amino]-1-oxopropyl]-1,4-dithia-7- azaspiro[4.4]nonane-8-carboxylic acid hydrochloride","","- C22 H33 Cl N2 O6 S2 -","- C22 H33 Cl N2 O6 S2 -","- C88 H132 Cl4 N8 O24 S8 -","4","1","BK1260","Xu, Wei; Wahle, Mark C.; Stowell, Joseph G.; Byrn, Stephen R.","Spirapril Hydrochloride Hydrate","Acta Crystallographica Section C","1997","53","12","1917","1919","10.1107/S0108270197008287","","","0.71073","MoKα","","0.061","0.04","","0.108","0.092","","","","1.09","1.052","1.052","","","","","has coordinates,has disorder","208466","2020-10-21","18:00:00",""
"2006757","11.5747","0.0013","10.7639","0.0007","7.2556","0.0007","90","","90","","90","","903.97","0.15","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cadmium glutamate dihydrate","","- C5 H11 Cd N O6 -","- C5 H11 Cd N O6 -","- C20 H44 Cd4 N4 O24 -","4","1","BK1343","Tomlin, David W.; Cooper, Thomas M.; Cline, Stephen M.; Hughes, John M.; Adams, W. Wade","Cadmium Glutamate Dihydrate","Acta Crystallographica Section C","1997","53","12","1815","1816","10.1107/S0108270197009426","","","0.71073","Mo","","","0.014","","","","0.02","","","","","","0.91","","","","has coordinates","192027","2020-10-21","18:00:00",""
"2006759","5.717","0.01","10.051","0.013","29.07","0.03","90","","90","","90","","1670","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-O-isopropylidene-5-O-p-tosyl-α-D-xylofuranose","","- C15 H20 O7 S -","- C15 H20 O7 S -","- C60 H80 O28 S4 -","4","1","BM1152","Philip J. Cox; R. Alan Howie; Helena Rufino; James L. Wardell","Two Tosylated 1,2-<i>O</i>-Isopropylidene-α-<small>D</small>-xylofuranoses","Acta Crystallographica Section C","1997","53","12","1939","1941","10.1107/S0108270197010810","","","0.71073","MoKα","","0.106","0.0568","","0.1484","0.1061","","","","1.014","1.153","1.153","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006765","8.967","0.001","9.16","0.002","15.71","0.007","90","","90","","90","","1290.4","0.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-methyl Benzhydrylamine Hydrochloride","","- C14 H16 Cl N -","- C14 H16 Cl N -","- C56 H64 Cl4 N4 -","4","1","BM1158","Andres E. Goeta; Graciela Punte; Blas E. Rivero; Luis Bruno Blanch","<i>N</i>-Methyl- and <i>N</i>-Ethylbenzhydrylamine Hydrochloride","Acta Crystallographica Section C","1997","53","12","1913","1916","10.1107/S0108270197011359","","","0.71073","MoKα","","0.0645","0.0367","","0.0996","0.0818","","","","1.081","1.048","1.048","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006779","7.441","0.006","41.869","0.006","5.934","0.007","90","","90","","90","","1849","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-azulene-methano-2-anthraquinoate","2-azulene-methano-2-anthraquinoate","","- C26 H16 O4 -","- C26 H16 O4 -","- C104 H64 O16 -","4","1","BS1032","Kaftory, Menahem; Botoshansky, Mark; Daub, Jörg; Mirlach, Albert","1-Cyano-2-<i>p</i>-bromophenylazulene and 2-Azulenylmethyl 2-Anthraquinoate","Acta Crystallographica Section C","1997","53","12","1907","1909","10.1107/S0108270197009839","","","0.71069","MoKα","","0.0836","0.0384","","0.1234","0.0834","","","","1.255","1.045","1.045","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006781","6.154","0.001","13.484","0.002","17.732","0.003","90","","90","","90","","1471.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F2 O2 -","- C17 H14 F2 O2 -","- C68 H56 F8 O8 -","4","1","BS1033","Abboud, Khalil A.; Ocampo, Rogelio; Dolbier Jr, William R.","α,α-Difluoro-β-lactone and its Non-Fluorinated Analog","Acta Crystallographica Section C","1997","53","12","1923","1926","10.1107/S0108270197010020","","","0.71073","MoKα","","0.072","0.034","","0.07","0.06","","","","1.05","1.24","1.24","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006791","8.819","0.001","15.244","0.002","6.828","0.002","90","","90","","90","","917.9","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Structure d'un Monophosphate synthétique de Magnésium et de Sodium: MgNaPO~4~","","- Mg3 Na3 O12 P3 -","- Mg3 Na3 O12 P3 -","- Mg12 Na12 O48 P12 -","4","1","DU1170","Imura, Hiroshi; Kawahara, Akira","Structure d'un Monophosphate Synthétique de Magnésium et de Sodium: Mg~3~Na~3~(PO~4~)~3~","Acta Crystallographica Section C","1997","53","12","1733","1735","10.1107/S0108270197003211","","","0.7107","MoKα","","","0.055","","","0.046","","","","","1.26","1.26","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006801","11.5345","0.0001","13.7765","0.0002","15.1022","0.0001","90","","90","","90","","2399.82","0.04","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Piperidinium Bis(azido)triphenylstannates","","- C23 H27 N7 Sn -","- C23 H27 N7 Sn -","- C92 H108 N28 Sn4 -","4","1","FG1297","Wharf, Ivor; Wojtowski, Ryszard; Onyszchuk, Mario; Simard, Michel G.","Piperidinium Diazidotriphenylstannate and Quinuclidinium Diazidotriphenylstannate","Acta Crystallographica Section C","1997","53","12","1791","1794","10.1107/S010827019700958X","","","0.71073","MoKα","","0.0321","0.0247","","0.0514","","0.0484","","","1.069","","","1.066","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006803","6.437","0.0007","9.3798","0.0012","12.0427","0.0009","90","","90","","90","","727.11","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Deoxy-D-fructose","3-Deoxy-D-erythro-hexulose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","FG1300","Szarek, Walter A.; Roszak, Aleksander W.; Crone, Giselle M.; Martin, Olivier R.","3-Deoxy-<small>D</small>-fructose","Acta Crystallographica Section C","1997","53","12","1921","1923","10.1107/S0108270197009311","","","0.71069","MoKα","","0.045","0.036","","0.092","0.082","","","","0.919","0.919","0.919","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006804","7.641","0.003","16.534","0.001","18.569","0.002","90","","90","","90","","2345.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 3β-bromine-7α-hydroxy-5β-cholan-24-oate","","- C25 H41 Br O3 -","- C25 H41 Br O3 -","- C100 H164 Br4 O12 -","4","1","FG1305","Dago Morales, Angel; Pomés Hernández, Ramón; Coll Manchado, Francisco; Pérez Gil, Roxana; Punte, Graciela; Echeverría, Gustavo","Methyl 3β-Bromine-7α-hydroxy-5β-cholan-24-oate","Acta Crystallographica Section C","1997","53","12","1881","1883","10.1107/S0108270197007464","","","0.71069","MoKα","","0.2017","0.0501","","0.1271","0.0771","","","","1.169","1.169","1.169","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006821","6.105","0.0006","6.252","0.0006","14.547","0.001","90","0.009","90","0.009","90","0.009","555.24","0.09","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 N O -","- C6 H7 N O -","- C24 H28 N4 O4 -","4","1","FR1062","Suchod, Bernadette; Lajzerowicz, Janine; Collet, André","({-})-2-Azabicyclo[2.2.1]hept-5-en-3-one (Lactam)","Acta Crystallographica Section C","1997","53","12","1911","1912","10.1107/S0108270197011311","","","0.71073","MoKα","","0.057","0.057","","0.028","0.028","","","","3.274","3.274","3.274","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2006846","14.208","0.004","16.484","0.006","6.663","0.002","90","","90","","90","","1560.5","0.9","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C64 H96 Cl8 O4 -","4","1","LN1007","Lassaba, E.; Benharref, A.; Giorgi, M.; Pierrot, M.","Cyclopropanation of a β-Himachalene Monoepoxide Derivative","Acta Crystallographica Section C","1997","53","12","1943","1945","10.1107/S0108270197009888","","","0.71073","MoKα","","0.043","0.036","","","0.048","","","","","1.84","1.84","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2006847","9.518","0.002","14.003","0.002","14.977","0.003","90","","90","","90","","1996.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR, 7aS)-N-Triphenylmethyl-3a,6,7,7a-tetrahydropyrano-[2,3-d]pyrrolid-2-one","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","LN1010","Vassilios Nastopoulos; Ourania Gourgioti; George Balayiannis; George Karigiannis; Dionissios Papaioannou; Constantin Kavounis","(3a<i>R</i>,7a<i>S</i>)-<i>N</i>-Triphenylmethyl-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-<i>b</i>]pyrrol-2-one","Acta Crystallographica Section C","1997","53","12","1971","1973","10.1107/S010827019701158X","","","0.71069","MoKα","","0.0418","0.0406","","0.1067","","0.1053","","","1.095","","","1.105","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006850","9.031","0.001","14.262","0.002","20.58","0.002","90","","90","","90","","2650.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-3-(γ-methyl-N^α^-triphenylmethylglutamyl)benzotriazole 1-Oxide","","- C31 H28 N4 O4 -","- C31 H28 N4 O4 -","- C124 H112 N16 O16 -","4","1","LN1017","Mamos, Petros; Papaioannou, Dionissios; Kavounis, Constantin; Nastopoulos, Vassilios","(<i>S</i>)-3-(<i>O</i>^{γ^}-Methyl-<i>N</i>^{α^}-triphenylmethylglutamyl)benzotriazole 1-Oxide","Acta Crystallographica Section C","1997","53","12","1973","1975","10.1107/S0108270197011591","","","0.71069","MoKα","","0.048","0.046","","0.123","","0.12","","","1.069","","","1.079","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006863","6.0144","0.0006","13.8744","0.0008","27.517","0.002","90","","90","","90","","2296.2","0.3","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-) Diphenyl (R)-1-[(S)-isoleucyl]pyrrolidine-2-phosphonate hydrochloride","","- C22 H30 Cl N2 O4 P -","- C22 H30 Cl N2 O4 P -","- C88 H120 Cl4 N8 O16 P4 -","4","1","NA1308","Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter","Diphenyl ({-})-(<i>R</i>)-1-[(<i>S</i>)-Isoleucyl]pyrrolidine-2-phosphonate Hydrochloride","Acta Crystallographica Section C","1997","53","12","1952","1954","10.1107/S0108270197008524","","","1.54184","CuKα","","0.0353","0.0325","","0.084","","0.084","","","1.069","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006881","13.628","0.002","7.618","0.001","5.11","0.001","90","0.01","90","0.01","90","0.01","530.51","0.15","12","","12","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","SX1034","Jan Janczak; Dieter Zobel; Peter Luger","<small>L</small>-Threonine at 12 K","Acta Crystallographica Section C","1997","53","12","1901","1904","10.1107/S0108270197011414","","","0.5609","AgKα_(X-ray_tube)","","0.034","0.026","","0.063","0.03","","","","5.856","2.866","2.866","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006889","9.818","0.002","11.191","0.001","11.79","0.001","90","","90","","90","","1295.4","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aα,6α)-(E)-5-Chloromethylene-8,8-dichloro-6-methoxy-1,2,3,4,5,6-hexahydro- 3a,6-methanO-3aH-indene","","- C12 H13 Cl3 O -","- C12 H13 Cl3 O -","- C48 H52 Cl12 O4 -","4","1","TA1168","Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.","Novel Products from the Rearrangement of Some [<i>n</i>.3.1]Propellanes","Acta Crystallographica Section C","1997","53","12","2000","2002","10.1107/S0108270197010044","","","1.5418","CuKα","","0.039","0.037","","1.107","1.107","","","","1.109","1.109","1.109","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006907","6.068","0.002","11.118","0.003","24.925","0.005","90","","90","","90","","1681.5","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","\3a,\4b-Dihydroxy-5α-androstan-17-one","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","BS1035","Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Costa, M. M. R. R.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","3α,4β-Dihydroxy-5α-androstan-17-one","Acta Crystallographica Section C","1998","54","1","89","91","10.1107/S0108270197009505","","","0.7093","MoKα","","0.064","0.034","","0.089","0.078","","","","1.056","1.078","1.078","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006908","7.4828","0.0008","12.126","0.001","14.179","0.002","90","","90","","90","","1286.6","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 S -","- C14 H16 O3 S -","- C56 H64 O12 S4 -","4","1","CF1177","Zukerman-Schpector, J.; Monteiro, Hugo J.","Intermediates in the Synthesis of (+)-Grandisol. II","Acta Crystallographica Section C","1998","54","1","96","97","10.1107/S0108270197011426","","","0.71073","MoKα","","0.0988","0.041","","0.119","","0.0857","","","1.13","","","1.078","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2006909","10.21","0.007","29.279","0.003","9.314","0.004","90","","90","","90","","2784","2","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 O4 -","- C34 H34 O4 -","- C136 H136 O16 -","4","1","DE1056","Kazuyoshi Nishikawa; Harumichi Tsukada; Satoshi Abe; Shintaro Misaki; Noritake Yasuoka","(<i>R</i>,<i>R</i>)-({-})-<i>trans</i>-2,3-Bis(hydroxydiphenylmethyl)-1,4-dioxaspiro[4.5]decane","Acta Crystallographica Section C","1998","54","1","111","112","10.1107/S010827019700992X","","","0.7107","MoKα","","0.0671","0.0671","","0.1049","0.1049","","","","1.109","1.109","1.109","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2006912","8.3","0.002","14.813","0.005","27.654","0.006","90","","90","","90","","3400","1.6","293","1","293","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","chasmanthinine","","","- C36 H49 N O9 -","- C36 H49 N O9 -","- C144 H196 N4 O36 -","4","1","FG1328","Parvez, Masood; Gul, Waseem; Anwar, Saeed","Chasmanthinine","Acta Crystallographica Section C","1998","54","1","125","126","10.1107/S0108270197013449","","","1.54178","CuKα","","0.0605","0.0511","","0.1513","0.1262","","","","1.078","1.045","1.045","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006913","8.022","0.004","38.685","0.004","5.847","0.003","90","","90","","90","","1814.5","1.3","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O S -","- C22 H19 N O S -","- C88 H76 N4 O4 S4 -","4","1","FG1342","Fu, Tai Y.; Scheffer, John R.; Trotter, James","Photocleavage Reactions of Monothioimides","Acta Crystallographica Section C","1998","54","1","103","107","10.1107/S0108270197011645","","","1.5418","CuKα","","","0.03","","","","0.0845","","","","","","1.71","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006917","10.338","0.003","18.947","0.001","8.548","0.001","90","","90","","90","","1674.3","0.5","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N O S -","- C20 H15 N O S -","- C80 H60 N4 O4 S4 -","4","1","FG1356","Fu, Tai Y.; Scheffer, John R.; Trotter, James","<i>N</i>-Phenyl-<i>N</i>-(phenylthioxomethyl)benzamide","Acta Crystallographica Section C","1998","54","1","101","102","10.1107/S0108270197011244","","","1.5418","CuKα","","","0.042","","","","0.14","","","","","","2.73","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006921","10.7211","0.0011","15.186","0.002","10.4816","0.0008","90","","90","","90","","1706.5","0.3","296","","296","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","sp-9-(o-tert-butylphenyl)fluorene","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","FG1380","Robinson, Paul D.; Hou, Yuqing; Lutfi, Hisham G.; Meyers, Cal Y.","Exclusivity of the <i>sp</i> Rotamers of 9-(<i>o</i>-<i>tert</i>-Butylphenyl)fluorene and 9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol in Solution and the Crystalline State","Acta Crystallographica Section C","1998","54","1","73","77","10.1107/S0108270197012638","","","0.71069","MoKα","","0.1041","0.038","","0.1225","","0.096","","","1.003","1.09","1.09","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006936","6.574","0.002","13.798","0.002","14.838","0.003","90","","90","","90","","1345.9","0.5","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","KA1241","Elerman, Yalçin; Kabak, Mehmet; Elmali, Ayhan; Svoboda, Ingrid","1-[<i>N</i>-(4-Methyl-2-pyridyl)aminomethylidene]-2(1<i>H</i>)-naphthalenone","Acta Crystallographica Section C","1998","54","1","128","130","10.1107/S0108270197008858","","","0.71093","MoKα","","0.132","0.049","","0.18","0.14","","","","1.101","1.228","1.228","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006951","7.835","0.002","8.144","0.001","16.82","0.005","90","","90","","90","","1073.3","0.4","293","2","121","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Triethyl isocyanurate","1,3,5-Triethyl-1,3,5-triazine(1H,3H,5H)-2,4,6-trione","","- C9 H15 N3 O3 -","- C9 H15 N3 O3 -","- C36 H60 N12 O12 -","4","1","OA1038","Thalladi, Venkat R.; Katz, Amy K.; Carrell, H. L.; Nangia, Ashwini; Desiraju, Gautam R.","Trimethyl Isocyanurate and Triethyl Isocyanurate","Acta Crystallographica Section C","1998","54","1","86","89","10.1107/S010827019701384X","","","0.71073","MoKα","","0.044","0.038","","0.107","0.096","","","","1.074","1.041","1.041","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006953","7.453","0.001","13.789","0.001","20.497","0.002","90","","90","","90","","2106.5","0.4","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Fe2 O4 -","- C24 H18 Fe2 O4 -","- C96 H72 Fe8 O16 -","4","1","QA0027","Kempmann, Christoph; Grosser, Rolf; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(3a<i>S</i>,4<i>S</i>)-(+)-[μ-1(<i>O</i>,4,5,α-η):2(1,2,3,3a,7a-η)-5-benzylidene-6,7-dihydro-4(5<i>H</i>)-indenone]tricarbonyl-1κ^3^<i>C</i>-[2(η^5^)-cyclopentadienyl]diiron","Acta Crystallographica Section C","1998","54","1","IUC9700033","","10.1107/S0108270198099880","","","0.71069","MoKα","","0.044","0.0297","","0.0734","0.0675","","","","1.041","1.062","1.062","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2006958","7.433","0.003","12.128","0.005","17.826","0.004","90","","90","","90","","1607","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","SK1137","Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.","4-Hydroxy-17a-oxa-17a-homoandrost-4-ene-3,17-dione","Acta Crystallographica Section C","1998","54","1","92","93","10.1107/S0108270197012316","","","0.71073","MoKα","","0.064","0.032","","0.078","","0.078","","","1.043","","","1.043","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2006963","9.032","0.003","9.897","0.002","16.231","0.003","90","","90","","90","","1450.9","0.6","295","1","295.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","SX1025","Richardson, Patricia L.; Rodríguez, Abimael D.; Boulanger, Anna; Huang, Songping D.","Methoxyamericanolide B","Acta Crystallographica Section C","1998","54","1","66","68","10.1107/S0108270197011852","","","0.7107","MoKα","","","0.0504","","","0.0632","","","","","1.783","1.783","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007007","8.0693","0.0009","10.9292","0.0005","24.951","0.002","90","","90","","90","","2200.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-3,3-Bis(methoxycarbonyl)-18-oxo-5α,9β-androst-6-en-11,17-dione","","- C24 H30 O8 -","- C24 H30 O8 -","- C96 H120 O32 -","4","1","FG1350","Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre","Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels‒Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton","Acta Crystallographica Section C","1998","54","2","256","261","10.1107/S0108270197013310","","","1.54184","CuKα","","0.0489","0.0487","","0.1162","0.1161","","","","1.253","1.255","1.255","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007008","6.9986","0.0004","12.1754","0.0006","53.584","0.003","90","","90","","90","","4565.9","0.4","293","2","293","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-3,3-Bis(methoxycarbonyl)-18-oxo-5α-androst-6-en-11,17-dione","","- C24 H30 O8 -","- C24 H30 O8 -","- C192 H240 O64 -","8","2","FG1350","Drouin, Marc; Couturier, Michel; Deslongchamps, Pierre","Crystallographic Evidence of [1,5]Prototropic Shifts Occurring upon Transannular Diels‒Alder Reaction of a 14-Membered Macrocycle leading to a 5α-Steroid Skeleton","Acta Crystallographica Section C","1998","54","2","256","261","10.1107/S0108270197013310","","","1.54184","CuKα","","0.0803","0.0631","","0.1832","0.1641","","","","1.055","1.12","1.12","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007029","9.545","0.002","16.271","0.004","22.797","0.003","90","","90","","90","","3540.5","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3R)-2,3-dibenzyloxy-1,4-bis(diphenylphosphino)butane","","- C42 H40 O2 P2 -","- C42 H40 O2 P2 -","- C168 H160 O8 P8 -","4","1","NA1325","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; Gonsalves, A. M. A. D'A. Rocha; Pereira, M. M.; Serra, M. Elisa Silva","(2<i>R</i>,3<i>R</i>)-2,3-Dibenzyloxy-1,4-bis(diphenylphosphino)butane","Acta Crystallographica Section C","1998","54","2","264","266","10.1107/S0108270197014248","","","0.71073","MoKα","","0.1191","0.0363","","","0.0741","0.0923","","","","","","1.016","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007058","8.313","0.001","13.367","0.001","18.981","0.001","90","","90","","90","","2109.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rotundifoline","E-Seco 9(hydroxy)20-Hβ 19-ethyl rhynchophylline","","- C22 H28 N2 O5 -","- C22 H28 N2 O5 -","- C88 H112 N8 O20 -","4","1","BM1144","Ashish Mukhopadhyyay; Samar Kumar Talapatra; Ashin Kumar Saha; Pranab Kumar Lala; Sunil Kumar Mazumdar; Kinkini Bhattacharyya","Rotundifoline, an Oxoindole Alkaloid","Acta Crystallographica Section C","1998","54","3","399","401","10.1107/S0108270197013528","","","0.71073","MoKα","","0.1818","0.0815","","","","0.2448","","","","","","1.058","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007079","6.8684","0.001","11.537","0.002","17.079","0.003","90","","90","","90","","1353.4","0.4","293","1","293","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cyclic Selenenamide","[3aR-(3aα,4α,7α,7aα)]-2-Acetylhexahydro-4,8,8-trimethyl-4,7-methano- 1,2-benzisoselenazol-3a(4H)-ol","","- C13 H21 N O2 Se -","- C13 H21 N O2 Se -","- C52 H84 N4 O8 Se4 -","4","1","FG1405","Back, Thomas G.; Dyck, Brian P.; Nan, Siqiao; Parvez, Masood","[3a<i>R</i>-(3aα,4α,7α,7aα)]-2-Acetyl-4,8,8-trimethylperhydro-4,7-methano-1,2-benzisoselenazol-3a-ol","Acta Crystallographica Section C","1998","54","3","425","427","10.1107/S0108270197015916","","","1.54178","CuKα","","0.037","0.033","","0.088","0.085","","","","1.113","1.107","1.107","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007095","6.781","0.001","15.53","0.003","21.179","0.004","90","","90","","90","","2230.3","0.7","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Cyclohexyl-16'α,17'α-dihydro-3'-methoxy-4H-estra-1',3',5'(10'),16'- tetraeno[16',17'-e][1,3]oxazine","","- C27 H37 N O2 -","- C27 H37 N O2 -","- C108 H148 N4 O8 -","4","1","KA1249","Bes, Teresa; Hajnal, Andrea; Schneider, Gyula; Noltemeyer, Mathias","A Steroidal Dihydro-1,3-oxazine Derivative","Acta Crystallographica Section C","1998","54","3","372","373","10.1107/S0108270197016338","","","0.71073","MoKα","","0.046","0.04","","","","0.099","","","","","","1.116","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007099","9.3972","0.0001","12.3917","0.0001","13.7857","0.0002","90","","90","","90","","1605.31","0.03","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bromohydridomethyl-bis-(4-Methylpyridinium)-siliciumbromid","","- C13 H18 Br2 N2 Si -","- C13 H18 Br2 N2 Si -","- C52 H72 Br8 N8 Si4 -","4","1","KA1258","Hensen, Karl; Kettner, Markus; Bolte, Michael","Bromo(hydrido)methylbis(4-methylpyridine-<i>N</i>)silicon Bromide at 173K","Acta Crystallographica Section C","1998","54","3","358","359","10.1107/S0108270197015801","","","0.71073","MoKα","","0.033","0.024","","0.043","0.042","","","","1.001","1.033","1.033","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2007101","26.094","0.004","9.717","0.002","6.325","0.002","90","","90","","90","","1603.7","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R)-4,5-dihydro-4,4-dimethyl-3(1H)-2-oxofuran-3-yl(2S)-2-(2,3-dihydro -1,4-benzodioxin-6-yl)propionate","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","LN1022","M. Teresa Vázquez,; M. Dolors Pujol; Xavier Solans","(3<i>S</i>)-4,4-Dimethyl-2-oxotetrahydrofuran-3-yl (2<i>S</i>)-2-(1,4-Benzodioxin-6-yl)propionate","Acta Crystallographica Section C","1998","54","3","428","430","10.1107/S0108270197015618","","","0.71069","MoKα","","0.0872","0.0491","","0.1593","0.1086","","","","0.949","1.104","1.104","","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2007126","9.545","0.001","32.428","0.005","6.81","0.001","90","","90","","90","","2107.9","0.5","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","((1R,2S,4R,5S,6S)-exo-2-acetoxy-3,3,endo-6-trimethylbicyclo[3.1.0] hexan-exo-4-yl) camphanoate","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","1","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.54178","CuKα","","0.0872","0.0555","","","","0.1586","","","","","","0.98","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007129","12.806","0.001","22.332","0.003","7.2582","0.001","90","","90","","90","","2075.7","0.4","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","((1R,2S,4R,5S,6R)-exo-2-acetoxy-3,3,exo-6-trimethylbicyclo[3.1.0] hexan-exo-4-yl) camphanoate","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","1","SK1154","Krief, Alain; Ollevier, Thierry; Swinnen, Dominique; Norberg, Bernadette; Baudoux, Guy; Evrard, Guy","Synthesis and Absolute Structure Determination of Camphanoate Derivatives of Five Bicyclo[3.1.0]hexane Compounds","Acta Crystallographica Section C","1998","54","3","392","398","10.1107/S0108270197013929","","","1.54178","CuKα","","0.0408","0.0394","","","","0.1027","","","","","","1.087","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007164","12.021","0.003","20.149","0.003","6.655","0.002","90","","90","","90","","1611.9","0.7","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","FG1351","Fu, Tai Y.; Scheffer, John R.; Trotter, James; Yang, Jie","Structure and Photochemistry of Four Adamantylacetophenones","Acta Crystallographica Section C","1998","54","4","491","496","10.1107/S0108270197015862","","","0.7107","MoKα","","","0.048","","","","0.153","","","","","","1.45","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007177","9.7824","0.0007","10.583","0.001","16.344","0.001","90","","90","","90","","1692","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-2-(4-bromophenyl)-2-oxoethyl 2-methoxymethylpyrrolidine-1- dithiocarboxylate","","- C15 H18 Br N O2 S2 -","- C15 H18 Br N O2 S2 -","- C60 H72 Br4 N4 O8 S8 -","4","1","JZ1254","Biedermann, Matthias; Hartung, Helmut; Dölling, Wolfgang; Verjus, Pierre","(<i>R</i>)- and (<i>S</i>)-2-(4-Bromophenyl)-2-oxoethyl 2-Methoxymethylpyrrolidine-1-dithiocarboxylate","Acta Crystallographica Section C","1998","54","4","507","509","10.1107/S0108270197016570","","","0.71073","MoKα","","0.125","0.0623","","0.1326","0.0941","","","","1.242","1.17","1.17","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007192","5.4759","0.0007","7.4682","0.0006","50.997","0.005","90","","90","","90","","2085.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Cl O3 -","- C25 H27 Cl O3 -","- C100 H108 Cl4 O12 -","4","1","NA1312","Kuhl, Alexander; Schollmeyer, Dieter; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","17α-(4-Chlorobenzoyloxy)-3-methoxy-13α-gona-1,3,5(10)-triene","Acta Crystallographica Section C","1998","54","4","521","523","10.1107/S010827019701737X","","","1.54178","CuKα","","0.8","0.06","","0.175","0.156","","","","1.044","1.07","1.07","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007201","5.4376","0.0005","7.2577","0.0008","22.773","0.002","90","","90","","90","","898.72","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D-PHENYLGLYCINE HYDROCHLORIDE","D-α-Aminophenyl acetic acid hydrochloride","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C32 H40 Cl4 N4 O8 -","4","1","VJ1074","Ravichandran, S.; Dattagupta, J. K.; Chakrabarti, Chandana","<small>D</small>-Phenylglycine Hydrochloride","Acta Crystallographica Section C","1998","54","4","499","501","10.1107/S0108270197014674","","","0.71073","MoKα","","0.045","0.035","","0.127","0.106","","","","0.768","0.747","0.747","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007212","8.9913","0.0005","13.1001","0.001","16.6041","0.001","90","","90","","90","","1955.7","0.2","293","1","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-deoxy-3epiryanodol","","","- C20 H32 O7 -","- C20 H32 O7 -","- C80 H128 O28 -","4","1","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","1.54184","CuKα","","0.0313","0.0304","","0.0842","0.0832","","","","1.052","1.059","1.059","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007215","10.321","0.003","13.917","0.005","29.196","0.004","90","","90","","90","","4194","2","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cinnzeylanol","","","- C40 H74.3 O19.15 -","- C40 H64 O19.154 -","- C160 H256 O76.616 -","4","1","BS1023","Drouin, Marc; Dodier, Marco; Ruest, Luc","3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives","Acta Crystallographica Section C","1998","54","5","687","693","10.1107/S0108270197016843","","","0.71073","MolybdenumKα","","0.0855","0.0617","","0.1519","0.14","","","","1.038","1.143","1.143","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007222","14.435","0.002","18.025","0.002","8.5494","0.0009","90","0.01","90","0.01","90","0.01","2224.5","0.5","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Adenosine 5'-carboxylic acid","","- C10 H11 N5 O5 -","- C10 H11 N5 O5 -","- C80 H88 N40 O40 -","8","2","DE1070","G. Sreekanta Padiyar; T. P. Seshadri","Adenosine-5'-carboxylic Acid","Acta Crystallographica Section C","1998","54","5","647","649","10.1107/S0108270197017678","","","0.71067","MoKα","","0.07","0.0379","","0.1124","0.0975","","","","1.023","1.081","1.081","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007242","7.855","0.002","9.982","0.002","11.589","0.002","90","","90","","90","","908.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phenyl-2-pyridylketone","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","LN1015","Sievert, Mark; Dienelt, Ruediger; Bock, Hans","Phenyl 2-Pyridyl Ketone at 150K","Acta Crystallographica Section C","1998","54","5","674","676","10.1107/S0108270197017940","","","0.71073","MoKα","","0.0441","0.0373","","0.106","0.0968","","","","1.036","1.028","1.028","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007256","9.855","0.007","28.479","0.009","6.28","0.001","90","","90","","90","","1762.5","1.4","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-leucine 3,4-dimethylbenzenesulfonate monohydrate","","- C14 H25 N O6 S -","- C14 H25 N O6 S -","- C56 H100 N4 O24 S4 -","4","1","OA1024","Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya","Complexes Between <small>L</small>-Leucine and its Precipitants","Acta Crystallographica Section C","1998","54","5","637","641","10.1107/S0108270197018106","","","1.5418","CuKα","","","0.044","","","0.044","","","","","2.392","2.392","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2007258","9.866","0.002","28.201","0.009","6.25","0.002","90","","90","","90","","1738.9","0.9","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-leucine 4-methylbenzenesulfonate monohydrate","","- C13 H23 N O6 S -","- C13 H23 N O6 S -","- C52 H92 N4 O24 S4 -","4","1","OA1024","Hasegawa, Kazuhiro; Ishikawa, Kohki; Kawaoka, Rie; Sano, Chiaki; Iitani, Kinzo; Komatsu, Hiroshi; Nagashima, Nobuya","Complexes Between <small>L</small>-Leucine and its Precipitants","Acta Crystallographica Section C","1998","54","5","637","641","10.1107/S0108270197018106","","","1.5418","CuKα","","","0.047","","","0.055","","","","","2.86","2.86","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2007318","7.753","0.002","11.126","0.002","18.281","0.003","90","","90","","90","","1576.9","0.6","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile","","- C18 H14 Cl N3 O -","- C18 H14 Cl N3 O -","- C72 H56 Cl4 N12 O4 -","4","1","CF1231","Malhotra, Sanjay; Vats, Archana; Parmar, Virinder S.; Errington, William","[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile","Acta Crystallographica Section C","1998","54","6","844","846","10.1107/S0108270198000717","","","0.71073","MoKα","","0.0407","0.032","","","","0.08","","","","","","1.037","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007327","7.663","0.001","11.833","0.003","29.452","0.007","90","","90","","90","","2670.6","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O6 -","- C29 H46 O6 -","- C116 H184 O24 -","4","1","FG1407","Liu, Huiyou; Bélanger-Gariépy, Francine; Akram, Mehdi; Moskova, Mariana; Zhu, Xiao-Xia","Methyl 7α,12α-Dihydroxy-3α-methacryloyloxy-5β-cholan-24-oate","Acta Crystallographica Section C","1998","54","6","801","803","10.1107/S0108270197020003","","","1.54178","CuKα","","0.093","0.04","","0.081","","0.068","","","0.665","","","0.888","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007361","11.312","0.002","12.996","0.003","13.308","0.003","90","","90","","90","","1956.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyanogold-phosphine","Cyano-tri-(m-tolyl)phosphinegold(I)","","- C22 H21 Au N P -","- C22 H21 Au N P -","- C88 H84 Au4 N4 P4 -","4","1","NA1329","Al-Arfaj, A.R.; Reibenspies, J.H.; Hussain, M. Sakhawat; Isab, A.A.","<i>R</i>~3~PAuCN Complexes: [{Ph~2~(cyclohexyl)P}AuCN] and [{(<i>m</i>-Tolyl)~3~P}AuCN]","Acta Crystallographica Section C","1998","54","6","716","719","10.1107/S0108270197017198","","","0.71073","MoKa","","0.0398","0.0325","","0.0905","0.078","","","","1.06","1.05","1.05","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007371","5.013","0.003","6.915","0.003","9.271","0.004","90","","90","","90","","321.4","0.3","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ethane-1,2-diol","Ethane-1,2-diol","","- C2 H6 O2 -","- C2 H6 O2 -","- C8 H24 O8 -","4","1","QA0040","Boese, Roland; Weiss, Hans-Christoph","1,2-Ethanediol (Ethylene Glycol) at 130K","Acta Crystallographica Section C","1998","54","6","IUC9800024","","10.1107/S0108270198099624","","","0.71073","MoKα","","0.0544","0.0527","","0.1284","0.1254","","","","1.121","1.117","1.117","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007380","8.003","0.005","11.253","0.005","18.461","0.005","90","0.005","90","0.005","90","0.005","1662.6","1.4","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dimethyl 2-((1S)-1-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-2- nitropropyl) malonate","","- C14 H23 N O8 -","- C14 H23 N O8 -","- C56 H92 N4 O32 -","4","1","SK1167","Baudoux, Guy; Norberg, Bernadette; Provins, Laurent; Froidbize, Alexandre; Krief, Alain; Evrard, Guy","Three Intermediates in the Synthesis of Chrysanthemic Acid","Acta Crystallographica Section C","1998","54","6","834","837","10.1107/S0108270198000298","","","1.54178","CuKα","","0.052","0.052","","","","0.124","","","","","","1.062","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007382","7.3201","0.0001","10.719","0.001","19.39","0.001","90","0.006","90","0.004","90","0.005","1521.42","0.16","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","dimethyl (3S)-3-((4S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2- dimethylcyclopropane-1,1-dicarboxylate","","- C14 H22 O6 -","- C14 H22 O6 -","- C56 H88 O24 -","4","1","SK1167","Baudoux, Guy; Norberg, Bernadette; Provins, Laurent; Froidbize, Alexandre; Krief, Alain; Evrard, Guy","Three Intermediates in the Synthesis of Chrysanthemic Acid","Acta Crystallographica Section C","1998","54","6","834","837","10.1107/S0108270198000298","","","1.54178","CuKα","","0.054","0.049","","","","0.142","","","","","","1.082","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007411","10.7138","0.0011","11.5397","0.0014","18.747","0.003","90","","90","","90","","2317.8","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 5-deoxy-5-C-[(iododiphenylstannyl)methyl]-2,3-O-isopropylidene -α-D-lyxofuranoside","","- C22 H27 I O4 Sn -","- C22 H27 I O4 Sn -","- C88 H108 I4 O16 Sn4 -","4","1","BM1215","Charles C. C. Chibesakunda; Philip J. Cox; Helena Rufino; James L. Wardell","Methyl 5-Deoxy-5-<i>C</i>-[(iododiphenylstannyl)methyl]-2,3-<i>O</i>-isopropylidene-α-<small>D</small>-lyxofuranoside","Acta Crystallographica Section C","1998","54","7","925","927","10.1107/S0108270198001413","","","0.71073","MoKα","","0.04","0.038","","","","0.093","","","","","","1.12","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007417","8.483","0.001","19.174","0.003","7.1793","0.0008","90","","90","","90","","1167.7","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O -","- C13 H17 N O -","- C52 H68 N4 O4 -","4","1","CF1221","Graham, Duncan; Kennedy, Alan R.","7-Methoxy-2,2,4-trimethyl-1,2-dihydroquinoline","Acta Crystallographica Section C","1998","54","7","978","980","10.1107/S0108270198001577","","","0.71069","MoKα","","0.076","0.036","","0.047","0.041","","","","","1.22","1.22","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2007418","9.023","0.0005","17.894","0.002","24.469","0.002","90","","90","","90","","3950.7","0.6","299","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1α-(3'-furyl)-4β,4aβ-epoxy-5,8aα-dimethyl-3-oxohexahydro- 1H-2-benzopyran","","- C15 H16 O4 -","- C15 H16 O4 -","- C180 H192 O48 -","12","3","DA1000","Rajab, Mohamed S.; Fronczek, Frank R.; Rugutt, Joseph K.; Fischer, Nikolaus H.","Calodendrolide, a Degraded Limonoid from <i>Calodendrum capense</i>","Acta Crystallographica Section C","1998","54","7","950","952","10.1107/S0108270197015151","","","1.54184","CuKα","","","0.052","","","0.044","","","","","1.557","1.557","","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2007439","4.741","0.0009","15.293","0.005","19.61","0.005","90","","90","","90","","1421.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Cl2 N O -","- C17 H11 Cl2 N O -","- C68 H44 Cl8 N4 O4 -","4","1","HA1210","Elmali, Ayhan; Elerman, Yalc̨in; Svoboda, Ingrid; Fuess, Hartmut","<i>N</i>-(3,5-Dichlorophenyl)naphthaldimine","Acta Crystallographica Section C","1998","54","7","974","976","10.1107/S0108270198001176","","","0.71093","MoKα","","0.0496","0.0358","","0.1034","0.0954","","","","1.077","1.084","1.084","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007441","10.7523","0.0006","11.0208","0.0007","14.0493","0.0009","90","","90","","90","","1664.83","0.18","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,3S)-1-Trichloromethyl-1,2,3,4-tetrahydro-β-carboline-3-carboxamide methanol solvate","","- C14 H16 Cl3 N3 O2 -","- C14 H16 Cl3 N3 O2 -","- C56 H64 Cl12 N12 O8 -","4","1","JZ1190","Peters, Karl; Peters, Eva-Maria; Blank, Michael; Protzen, Jens-Achim; Feineis, Doris; God, Ralf; Bringmann, Gerhard","Endogenous Alkaloids in Man. 28. (1<i>R</i>,3<i>S</i>)-1-Trichloromethyl-1,2,3,4-tetrahydro-β-carboline-3-carboxamide Methanol Solvate, a Potential Synthetic Precursor to Enantiomerically Pure TaClo","Acta Crystallographica Section C","1998","54","7","1005","1007","10.1107/S0108270198001437","","","0.71073","MoKα","","","0.045","","","","0.115","","","","","","1.058","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007443","5.838","0.001","7.231","0.001","20.548","0.001","90","","90","","90","","867.4","0.2","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-Methyl-8,11,12-trioxatricyclo[7.2.1.0^2,7^]dodeca-2,4,6-trien-10-one","","- C10 H8 O4 -","- C10 H8 O4 -","- C40 H32 O16 -","4","1","JZ1270","Eilers, Frank; Bach, Thorsten; Fröhlich, Roland","9-Methyl-8,11,12-trioxatricyclo[7.2.1.0^2,7^]dodeca-2,4,6-trien-10-one","Acta Crystallographica Section C","1998","54","7","1011","1013","10.1107/S0108270198001528","","","1.54178","CuKα","","0.031","0.031","","0.09","0.09","","","","1.132","1.139","1.139","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007451","5.96","0.003","8.312","0.005","32.8","0.03","90","","90","","90","","1625","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N, N'-methylene-bis(5-phenyl-oxazolidine)","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","LN1028","Lemoine, Pascale; Viossat, Bernard; Martin, Pierre-Guy; Aitken, David J.","<i>N</i>,<i>N</i>'-Methylenebis[(<i>S</i>)-5-phenyloxazolidine]","Acta Crystallographica Section C","1998","54","7","1036","1038","10.1107/S010827019701562X","","","0.71069","MoKα","","0.145","0.058","","0.2","0.094","","","","1.078","1.144","1.144","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007465","12.898","0.001","18.482","0.002","11.412","0.001","90","","90","","90","","2720.4","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Co(DH)~2~(4-^t^Bu-Py)(4-MeO-PhS)","Bis(dimethylglyoximato)(4-methoxybenzenethiolato)(4-tert- butylpyridine)Cobalt(III)","","- C24 H34 Co N5 O5 S -","- C24 H34 Co N5 O5 S -","- C96 H136 Co4 N20 O20 S4 -","4","1","OA1029","Inouye, Yoshinobu; Kambe, Tohru; Tada, Masaru","(Benzenethiolato-<i>S</i>)(4-<i>tert</i>-butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')cobalt(III) and (4-<i>tert</i>-Butylpyridine-<i>N</i>)bis(dimethylglyoximato-<i>N</i>,<i>N</i>')(4-methoxybenzenethiolato-<i>S</i>)cobalt(III)","Acta Crystallographica Section C","1998","54","7","945","947","10.1107/S0108270198001693","","","0.71073","MoKα","","0.06","0.035","","0.09","0.099","","","","1.028","1.021","1.021","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007474","11.2771","0.001","11.3895","0.0011","13.715","0.002","90","","90","","90","","1761.6","0.3","133","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3R,4R,5R)-2-benzyl-N-(tert-butyloxycarbonyl)-3-hydroxy- 4,5-dimethyl-pyrrolidine","","- C18 H27 N O3 -","- C18 H27 N O3 -","- C72 H108 N4 O12 -","4","1","QA0042","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-4,5-dimethylpyrrolidine at 133 K","Acta Crystallographica Section C","1998","54","7","IUC9800033","","10.1107/S010827019809951X","","","0.71073","Mo-Kα","","","0.033","","","0.037","","","","","1.475","1.475","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2007476","9.1779","0.0008","9.5094","0.0007","29.07","0.002","90","","90","","90","","2537.1","0.3","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7-Dihydro-6-methyl-5-methoxy-3-beta-D-(tetra-O-acetyl)glucopyranosyl -7-oxo-1,2,3-triazolo[4,5-d]pyrimidine","","- C20 H25 N5 O11 -","- C20 H25 N5 O11 -","- C80 H100 N20 O44 -","4","1","QA0045","Ferguson, George; Low, John N.; Nogueras, M.; Cobo, J.; Lopez, M. Dolores; Quijano, M. Luisa; Sanchez, A.","6-Methyl-5-methoxy-3-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranos-1-yl)-3<i>H</i>-1,2,3-triazolo[4,5-<i>d</i>]pyrimidin-7(6<i>H</i>)-one","Acta Crystallographica Section C","1998","54","7","IUC9800031","","10.1107/S0108270198099521","","","0.7107","MolybdenumKα","","0.118","0.0522","","","","0.115","","","","","","0.923","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007477","15.311","0.001","11.41","0.001","14.561","0.001","90","","90","","90","","2543.8","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","the cholic acid methanol-water inclusion complex","","- C25 H46 O7 -","- C25 H46 O7 -","- C100 H184 O28 -","4","1","QB0013","Volkov, Anatoly; Huizhe, Zhu; Shuncheng, Liu; White, Mark A.; Coppens, Philip","The Cholic Acid-Methanol-Water Inclusion Complex","Acta Crystallographica Section C","1998","54","7","IUC9800026","","10.1107/S0108270198099569","","","0.71073","MoKα","","0.0551","0.0534","","","","0.1485","","","","","","1.063","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007520","11.072","0.002","11.4926","0.0003","18.9075","0.0007","90","","90","","90","","2405.9","0.4","180","","180","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-(1-naphthyl)-3,5-diphenyl-4-oxa- tricyclo[7.4.0.0^2,6^]trideca-7,9,11,13-tetraen-3-ol","","- C34 H26 O2 -","- C34 H26 O2 -","- C136 H104 O8 -","4","1","FG1438","Mak, Thomas C.W.; Patrick, Brian O.; Rettig, Steven J.; Scheffer, John R.; Trotter, James; Ukpabi, Pauline; Wu, Bo-Mu; Yee, Vivien C.","α-Naphthyl Phenyl Pinacols","Acta Crystallographica Section C","1998","54","8","1148","1151","10.1107/S0108270198002777","","","0.7107","MoKα","","0.076","0.048","","","","0.121","","","1.16","","","1.16","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007521","11.832","0.001","14.216","0.002","16.649","0.003","90","","90","","90","","2800.4","0.7","293","1","293","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3α-Bikhaconine","","","- C28 H47 N O9 -","- C28 H47 N O9 -","- C112 H188 N4 O36 -","4","1","FG1439","Parvez, Masood; Gul, Waseem; Anwar, Saeed","3α-Bikhaconine Acetone Solvate","Acta Crystallographica Section C","1998","54","8","1139","1141","10.1107/S0108270198002546","","","1.54178","CuKα","","0.059","0.057","","","","0.149","","","","","","1.064","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007524","8.519","0.002","9.315","0.002","13.429","0.003","90","","90","","90","","1065.7","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","FR1088","Abboud, Khalil A.; Butora, Gabor; Fearnley, Stephen P.; Gum, Andrew G.; Stabile, Michele R.; Hudlicky, Tomas","(7<i>R</i>,8<i>S</i>,10b<i>R</i>)-7,8-Dihydroxy-1,5,6,7,8,9,10,10b-octahydro-3<i>H</i>-1,3-oxazolo[4,3-<i>a</i>]isoquinolin-3-one","Acta Crystallographica Section C","1998","54","8","1162","1164","10.1107/S0108270197019586","","","0.71073","MoKα","","0.045","0.038","","0.078","0.074","","","","1.06","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007527","13.047","0.0002","13.3683","0.0001","21.467","0.0003","90","","90","","90","","3744.19","0.08","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Adamantyl dithiete","3,4‒Bis(1‒adamantyl)‒1,2‒dithiete","","- C22 H30 S2 -","- C22 H30 S2 -","- C176 H240 S16 -","8","2","FR1112","Donahue, James P.; Holm, Richard H.","3,4-Bis(1-adamantyl)-1,2-dithiete: the First Structurally Characterized Dithiete Unsupported by a Ring or Benzenoid Frame","Acta Crystallographica Section C","1998","54","8","1175","1178","10.1107/S0108270198002935","","","0.71073","MoKα","","0.065","0.045","","0.105","0.094","","","","1.014","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007537","9.095","0.001","15.624","0.001","18.372","0.001","90","","90","","90","","2610.7","0.4","291","1","291","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,1-Bis(3-dimethylamino-1,1-dimethylpropyl)-3,3,5,5-tetramethyl-2,4,6-trioxa- 3,5-disila-1-stannacyclohexane","","- C18 H44 N2 O3 Si2 Sn -","- C18 H44 N2 O3 Si2 Sn -","- C72 H176 N8 O12 Si8 Sn4 -","4","1","JZ1276","Nicole Pieper; Markus Schürmann; Klaus Jurkschat","6,6-Bis[3-(dimethylamino)-1,1-dimethylpropyl]-2,2,4,4-tetramethyl-1,3,5-trioxa-2,4-disila-6-stannacyclohexane","Acta Crystallographica Section C","1998","54","8","1097","1099","10.1107/S0108270198003199","","","0.71069","MoKα","","0.0458","0.0278","","0.0547","0.0509","","","","0.94","0.985","0.985","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007542","6.4494","0.0006","15","0.001","21.334","0.001","90","","90","","90","","2063.9","0.3","293","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-5-(2-Fluorophenyl)-1-methyl-2-(3-thenoylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepin-4-ium Chloride","","- C22 H21 Cl F N3 O S -","- C22 H21 Cl F N3 O S -","- C88 H84 Cl4 F4 N12 O4 S4 -","4","1","NA1340","Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J.","({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues","Acta Crystallographica Section C","1998","54","8","1133","1137","10.1107/S0108270198003412","","","1.54184","CuKα","","0.046","0.045","","0.123","","0.123","","","1.069","","","1.069","","","","has coordinates,has disorder","200177","2020-10-21","18:00:00",""
"2007543","6.3344","0.0002","13.5131","0.0007","25.693","0.002","90","","90","","90","","2199.3","0.2","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-1,7-Dimethyl-5-phenyl-2-(3-thenoylaminomethyl)-2,3-dihydro-1H- 1,4-benzodiazepin-4-ium Chloride","","- C23 H24 Cl N3 O S -","- C23 H24 Cl N3 O S -","- C92 H96 Cl4 N12 O4 S4 -","4","1","NA1340","Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J.","({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues","Acta Crystallographica Section C","1998","54","8","1133","1137","10.1107/S0108270198003412","","","1.54184","CuKα","","0.057","0.048","","0.137","","0.137","","","1.042","","","1.042","","","","has coordinates,has disorder","200178","2020-10-21","18:00:00",""
"2007548","10.579","0.003","10.124","0.003","15.147","0.003","90","","90","","90","","1622.3","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R, 3R, 4R)- cis-4-acetamido-3-hydroxy-2-dimethoxymethyl-2-methyl- 6-nitro-3,4-dihydro-2H-1-benzopyran","","- C15 H20 N2 O7 -","- C15 H20 N2 O7 -","- C60 H80 N8 O28 -","4","1","OA1040","Yoon, Tae-Sung; Yoo, Sung Eun; Shin, Whanchul","<i>N</i>-(2-Dimethoxymethyl-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2<i>H</i>-1-benzopyran-4-yl)acetamide","Acta Crystallographica Section C","1998","54","8","1146","1148","10.1107/S0108270198000250","","","0.7107","MoKα","","0.0913","0.047","","0.109","0.083","","","","1.08","1.14","1.14","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007551","11.898","0.003","29.39","0.005","11.634","0.002","90","","90","","90","","4068.2","1.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","9-Deoxy-15-hydroxycotylenol","9-Deoxy-15-hydroxycotylenol","","- C21 H34 O4 -","- C21 H34 O4 -","- C168 H272 O32 -","8","2","OA1053","Kato, Nobuo; Li, Feng; Mori, Akira; Takeshita, Hitoshi; Sassa, Takeshi","9-Deoxy-15-hydroxy- and 9-Deoxy-19-hydroxycotylenol","Acta Crystallographica Section C","1998","54","8","1165","1168","10.1107/S010827019800256X","","","1.54184","CuKα","","0.083","0.061","","0.189","0.168","","","","1.055","1.067","1.067","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007552","12.703","0.003","17.141","0.003","9.203","0.001","90","","90","","90","","2003.9","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","9-Deoxy-19-hydroxycotylenol","9-Deoxy-19-hydroxycotylenol","","- C21 H34 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","1","OA1053","Kato, Nobuo; Li, Feng; Mori, Akira; Takeshita, Hitoshi; Sassa, Takeshi","9-Deoxy-15-hydroxy- and 9-Deoxy-19-hydroxycotylenol","Acta Crystallographica Section C","1998","54","8","1165","1168","10.1107/S010827019800256X","","","1.54184","CuKα","","0.066","0.06","","0.182","0.173","","","","1.067","1.06","1.06","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007558","5.6316","0.0004","12.498","0.002","23.592","0.002","90","","90","","90","","1660.5","0.3","158","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3S,5R)-2-benzyl-N-(tert-butoxycarbonyl)-3-hydroxy-5-methyl- pyrrolidine","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","QB0046","Bats, Jan W.; Heinrich, Timo; Reggelin, Michael","(2<i>S</i>,3<i>S</i>,5<i>R</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-5-methylpyrrolidine at 158K","Acta Crystallographica Section C","1998","54","8","IUC9800038","","10.1107/S0108270198099430","","","0.71073","Mo-Kα","","0.097","0.0537","","","","0.0878","","","","","","1.256","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007569","7.178","0.002","14.268","0.003","14.795","0.003","90","","90","","90","","1515.2","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-18-methyl-17-oxaestra-1,3,5(10)-trien-16-one","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","SX1029","Slobodanka Stanković; Dušan Lazar; Vjera Pejanović; Julijana Petrović; Christian Courseille","<small>D</small>-Secoestrone Derivatives. IV. 3-Hydroxy-18-methyl-17-oxaestra-1,3,5(10)-trien-16-one","Acta Crystallographica Section C","1998","54","8","1158","1160","10.1107/S0108270197019161","","","1.54178","CuKα","","0.0793","0.0428","","0.1855","0.0889","","","","1.133","1.224","1.224","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007607","9.968","0.003","11.6851","0.0014","18.509","0.004","90","","90","","90","","2155.9","0.8","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-S-phenyl-S-(4-phenylbut-1-enyl)-N-(p-tolylsulfonyl)sulfoximine","","- C23 H23 N O3 S2 -","- C23 H23 N O3 S2 -","- C92 H92 N4 O12 S8 -","4","1","FG1428","Briggs, Andrew D.; Clegg, William; Elsegood, Mark R.J.; Frampton, Christopher S.; Jackson, Richard F.W.","Conformational Variations in Vinylsulfoximines","Acta Crystallographica Section C","1998","54","9","1335","1341","10.1107/S0108270198004508","","","0.71073","MoKα","","0.083","0.035","","","","0.095","","","","","","1.024","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007630","9.8205","0.001","10.9505","0.001","25.645","0.002","90","","90","","90","","2757.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","11α-hydroxy-28-methoxy-28-oxo-2,3-dinor-18β-olean-12-en-1,4-olide","","- C29 H46 O6 -","- C29 H44 O6 -","- C116 H176 O24 -","4","1","JZ1266","Gzella, Andrzej; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIII. Über weitere neue Triterpenlactone","Acta Crystallographica Section C","1998","54","9","1309","1312","10.1107/S0108270198003540","","","1.54178","CuKα","","0.05","0.043","","0.133","0.122","","","","1.061","1.042","1.042","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007631","6.58","0.001","12.1344","0.001","32.338","0.002","90","","90","","90","","2582","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","28-methoxy-28-oxo-1,2-dinor-10α,18β-oleano-9,12-dien-3,10β-olide","","- C29 H42 O4 -","- C29 H42 O4 -","- C116 H168 O16 -","4","1","JZ1266","Gzella, Andrzej; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIII. Über weitere neue Triterpenlactone","Acta Crystallographica Section C","1998","54","9","1309","1312","10.1107/S0108270198003540","","","1.54178","CuKα","","0.041","0.033","","0.102","0.094","","","","1.053","1.038","1.038","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007644","10.802","0.003","12.896","0.008","14.936","0.006","90","","90","","90","","2080.6","1.6","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C92 H108 N4 O8 -","4","1","NA1240","Camalli, Mercedes; Pifferi, Augusto; Palmieri, Gianni","Enantiopure δ-Hydroxy-β-enamino Ketones","Acta Crystallographica Section C","1998","54","9","1306","1309","10.1107/S0108270196011985","","","0.71069","MoKα","","0.09","0.058","","0.152","0.086","","","","","1.178","1.178","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007652","10.032","0.002","10.787","0.003","22.947","0.004","90","","90","","90","","2483.2","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3S,4S,7R)-7-acetoxy-2-(benzensulphonyl)-5-benzyloxy-3-phenyl -2,5-diazaspiro[3,4]octan-1-one","","- C27 H24 N2 O6 S -","- C27 H24 N2 O6 S -","- C108 H96 N8 O24 S4 -","4","1","NA1356","Alessandra Forni","Two Diastereoisomers of 2-(Benzenesulfonyl)-5-benzoyl-1-oxo-3-phenyl-2,5-diazaspiro[3.4]octan-7-yl Acetate","Acta Crystallographica Section C","1998","54","9","1320","1322","10.1107/S0108270198003436","","","0.71073","MoKα","","0.053","0.035","","0.07","0.066","","","","0.896","0.991","0.991","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007653","6.237","0.001","18.928","0.002","21.321","0.003","90","","90","","90","","2517","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4S,7R)-7-acetoxy-2-(benzensulphonyl)-5-benzyloxy-3-phenyl -2,5-diazaspiro[3,4]octan-1-one","","- C27 H24 N2 O6 S -","- C27 H24 N2 O6 S -","- C108 H96 N8 O24 S4 -","4","1","NA1356","Alessandra Forni","Two Diastereoisomers of 2-(Benzenesulfonyl)-5-benzoyl-1-oxo-3-phenyl-2,5-diazaspiro[3.4]octan-7-yl Acetate","Acta Crystallographica Section C","1998","54","9","1320","1322","10.1107/S0108270198003436","","","0.71073","MoKα","","0.101","0.052","","0.099","0.083","","","","1.013","1.089","1.089","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007676","7.9808","0.0007","11.72","0.001","16.468","0.001","90","","90","","90","","1540.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br N2 O3 -","- C16 H15 Br N2 O3 -","- C64 H60 Br4 N8 O12 -","4","1","TA1201","White, Jonathan M.; Clark, Christopher I.","2-(4-Bromo-2-nitrophenyl)-1-(4-dimethylaminophenyl)-1-ethanone","Acta Crystallographica Section C","1998","54","9","1304","1306","10.1107/S0108270198003989","","","1.5418","CuKα","","0.0768","0.0482","","","","0.1296","","","","","","1.037","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007717","8.7171","0.0008","10.9766","0.0012","21.946","0.004","90","","90","","90","","2099.9","0.5","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Gomisin N","1,2,3,12-tetramethoxy-6,7-dimethyl- 10,11-methylenedioxy-5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene","","- C23 H28 O6 -","- C23 H28 O6 -","- C92 H112 O24 -","4","1","DA1014","Marek, Jaromír; Slanina, Jiří","Gomisin N","Acta Crystallographica Section C","1998","54","10","1548","1550","10.1107/S0108270198006489","","","0.71073","MoKα","","0.055","0.036","","","","0.1","","","","","","0.955","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007744","9.747","0.005","14.882","0.004","15.48","0.005","90","","90","","90","","2245.4","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethyl-1,8-dioxo-10- vinylacridin-9-yl-methyl acetate","","- C23 H31 N O4 -","- C23 H31 N O4 -","- C92 H124 N4 O16 -","4","1","NA1326","R. Sankaranarayanan; D. Velmurugan; P. Murugan; N.Ramasubbu","1,2,3,4,5,6,7,8,9,10-Decahydro-3,3,6,6-tetramethyl-1,8-dioxo-10-vinylacridin-9-ylmethyl Acetate","Acta Crystallographica Section C","1998","54","10","1534","1535","10.1107/S0108270198005356","","","1.5418","CuKα","","0.108","0.052","","0.158","0.13","","","","1.089","1.175","1.175","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007770","13.378","0.0006","20.6464","0.0006","6.251","0.0004","90","","90","","90","","1726.57","0.14","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-amino-5-chloro-2-methoxy-N-[(2S,4S)-1-ethyl-2-hydroxymethyl-4-pyrrolidinyl ] benzamide","","- C15 H22 Cl N3 O3 -","- C15 H22 Cl N3 O3 -","- C60 H88 Cl4 N12 O12 -","4","1","SX1037","Tsutomu Adachi; Jun-Ichi Mizoguchi; Yasuo Hayashi; Yuko Yamashoji; Nobuko Kanehisa; Yasushi Kai; Yoshihisa Inoue","New Gastroprokinetic Agent TKS159: 4-Amino-5-chloro-<i>N</i>-[(2<i>S</i>,4<i>S</i>)-1-ethyl-2-hydroxymethyl-4-pyrrolidinyl]-2-methoxybenzamide","Acta Crystallographica Section C","1998","54","10","1527","1529","10.1107/S0108270198003722","","","1.54178","CuKα","","","0.046","","","0.0647","","","","","1.895","1.895","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007773","8.3014","0.0002","13.8503","0.0002","17.7567","0.0005","90","","90","","90","","2041.61","0.08","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl[(R)-[methyl 2,3-di-O-methyl-4,6-O-[(η^6^-phenyl)methylene]- α-D-glucopyranoside]chromium(0)","","- C19 H22 Cr O9 -","- C19 H22 Cr O9 -","- C76 H88 Cr4 O36 -","4","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.129","0.067","","","0.103","0.125","","","","","","1.065","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007776","8.482","0.0002","9.0429","0.0003","28.6178","0.0008","90","","90","","90","","2195.04","0.11","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl[(R)-[methyl 2,3-di-O-methyl-4,6-O-[[1',2',3',4',5,'6'-η]-4'- (methoxyphenyl)methylene]-α-D-glucopyranoside]]chromium(0)","","- C20 H24 Cr O10 -","- C20 H24 Cr O10 -","- C80 H96 Cr4 O40 -","4","1","TA1212","Rickard, Clifton E. F.; Woodgate, Paul D.; Zhao, Zhongde","η^6^-Tricarbonylchromium Complexes of Methyl 4,6-<i>O</i>-Benzylidene-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1998","54","10","1420","1424","10.1107/S0108270198005976","","","0.71073","MoKα","","0.028","0.026","","","0.071","0.072","","","","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007781","5.0309","0.0006","7.7455","0.0006","16.276","0.001","90","","90","","90","","634.22","0.1","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(4R)-(-)-2-thioxothiazolidine-4-carboxylic acid","","","- C4 H5 N O2 S2 -","- C4 H5 N O2 S2 -","- C16 H20 N4 O8 S8 -","4","1","BK1393","Dobson, Allison J.; Gerkin, Roger E.","(4<i>R</i>)-({-})-2-Thioxothiazolidine-4-carboxylic Acid (Raphanusamic Acid)","Acta Crystallographica Section C","1998","54","11","1634","1637","10.1107/S0108270198006416","","","0.71073","MoKα","","","0.025","","","0.033","","","","","2.15","2.15","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007806","13.342","0.002","16.839","0.001","7.052","0.002","90","","90","","90","","1584.3","0.5","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-tazettine","(+)-(3S,4aS,6aS,13bS)-3-methoxy-5-methyl-4,4a,5,6-tetrahydro-3H,8H-[1,3]dioxolo[ 6,7][2]benzopyrano[3,4-c]indol-6a-ol","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","FG1465","Linden, Anthony; Akineri, Gülnur; Noyan, Seda; Gözler, Tekant; Hesse, Manfred","<i>Amaryllidaceae</i> Alkaloids: (+)-Tazettine, (+)-3-<i>O</i>-Demethylcriwelline and (+)-3-Epimacronine at 173 K","Acta Crystallographica Section C","1998","54","11","1653","1659","10.1107/S0108270198006933","","","0.71069","MoKα","","0.052","0.039","","","","0.109","","","","","","1.034","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007810","7.6013","0.0006","11.771","0.001","14.896","0.002","90","","90","","90","","1332.8","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O2 S -","- C15 H18 O2 S -","- C60 H72 O8 S4 -","4","1","FG1476","Zukerman-Schpector, J.; Monteiro, Hugo J.","Intermediates in the Synthesis of (+)-Grandisol. III. (1<i>S</i>,5<i>R</i>)-2,5-Dimethyl-1-(phenylsulfonyl)bicyclo[3.2.0]hept-2-ene","Acta Crystallographica Section C","1998","54","11","1673","1675","10.1107/S0108270198007811","","","0.71073","MoKα","","0.0664","0.0339","","0.0892","","0.0796","","","1.077","","","1.1","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007821","7.9494","0.0009","13.3702","0.0007","14.9355","0.0008","90","","90","","90","","1587.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis-1,2-(o-nitrophenoxy)benzene","","","- C18 H12 N2 O6 -","- C18 H12 N2 O6 -","- C72 H48 N8 O24 -","4","1","FR1128","Bryan, Jeffrey C.; Lavis, Jérôme L.; Sachleben, Richard A.","Highly Rigid Crown Ether Fragments: Phenyl and Cyclohexyl Catechol Ethers","Acta Crystallographica Section C","1998","54","11","1662","1666","10.1107/S0108270198006490","","","0.71073","MoKα","","0.042","0.042","","0.114","","0.114","","","1.025","1.05","1.05","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007828","7.2694","0.0011","9.649","0.002","25.045","0.004","90","","90","","90","","1756.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-(3-furyl)-1,4,4a,5,9,10,10a,10b-octahydro-4-hydroxy-4a,10a-dimethyl-1,4- etheno-3H,7H-benzo[1,2-c:3,4-c']dipyran-3,7-dione","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","HA1216","Nor Aziyah Bakhari; Sam Teng Wah; Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak","Fibleucin from <i>Fibraurea chloroleuca</i> Miers","Acta Crystallographica Section C","1998","54","11","1649","1651","10.1107/S0108270198007069","","","0.71073","MoKα","","0.088","0.053","","0.142","0.129","","","","0.912","1.093","1.093","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007830","8.205","0.001","10.319","0.001","27.168","0.003","90","","90","","90","","2300.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5S,2'R)-1,5-Dimethyl-4-phenyl-3-acetyl-[2'-phenyl-2'(1-naphthyl)] -imidazolidin-2-one","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C116 H104 N8 O8 -","4","1","HA1223","Baggio, Ricardo; Lotz, Guillermo; Palacios, Sara; Mariezcurrena, Raúl A.","(4<i>S</i>,5<i>R</i>,2'<i>R</i>)-3,4-Dimethyl-1-[2'-(1-naphthyl)-2'-phenylacetyl]-5-phenylimidazolidin-2-one","Acta Crystallographica Section C","1998","54","11","1677","1679","10.1107/S0108270198006453","","","0.71073","MoKα","","0.073","0.04","","","","0.087","","","","","","0.991","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007840","9.022","0.001","11.052","0.001","26.58","0.003","90","","90","","90","","2650.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ter-butoxy carbonyl glycyl-L-valyl-L-tryptophan methyl ester","","- C24 H34 N4 O6 -","- C24 H34 N4 O6 -","- C96 H136 N16 O24 -","4","1","NA1355","Sankaran Banumathi; Devadasan Velmurugan; Easwara Subramanian; Sethuram Bandacharya Katti; Wahajul Haq","Methyl <i>N</i>-(<i>tert</i>-Butoxycarbonyl)glycyl-<small>L</small>-valyl-<small>L</small>-tryptophanate","Acta Crystallographica Section C","1998","54","11","1681","1683","10.1107/S0108270198005460","","","1.5418","CuKα","","0.064","0.051","","","","0.178","","","","","","0.913","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007841","7.055","0.002","12.531","0.002","24.464","0.002","90","","90","","90","","2162.8","0.7","291","1","291","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O3 S3 -","- C20 H25 N O3 S3 -","- C80 H100 N4 O12 S12 -","4","1","NA1360","Kuhl, Alexander; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","13,13-Ethylenedithio-3-mesyloxy-18-nor-13,17-secoestra-1,3,5(10)-triene-17-nitrile","Acta Crystallographica Section C","1998","54","11","1714","1716","10.1107/S0108270198005472","","","0.71069","MoKα","","0.149","0.058","","","","0.109","","","","","","1.148","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007858","9.9115","0.0013","12.4531","0.0013","16.053","0.003","90","","90","","90","","1981.4","0.5","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4S,4aR,10as)-5,10-Diacetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-6-oxo -2H-pyrano[3,2g]pteridin-3,4-diyl diacetate","","- C17 H22 N4 O8 -","- C17 H22 N4 O8 -","- C68 H88 N16 O32 -","4","1","QA0061","Low, John N.; Ferguson, George; López M. Dolores; Quijano M. Luisa; Sánchez, Adolfo; Nogueras, Manuel; Cobo, Justo","(3<i>S</i>,4<i>S</i>,4a<i>R</i>,10a<i>S</i>)-5-Acetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-7-methyl-6-oxo-2<i>H</i>-pyrano[3,2-<i>g</i>]pteridine-3,4-diyl Diacetate","Acta Crystallographica Section C","1998","54","11","IUC9800060","","10.1107/S0108270198099211","","","0.7107","MoKα","","0.095","0.051","","","","0.124","","","","","","0.95","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007862","7.796","0.003","9.627","0.004","12.792","0.004","90","0.03","90","0.03","90","0.03","960.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,7S,8aS)-1,7-dihydroxyindolizidine","","- C8 H17 N O3 -","- C8 H17 N O3 -","- C32 H68 N4 O12 -","4","1","SK1094","Garofano, Lidia; Guerri, Annalisa; Orioli, Pierluigi","(1<i>R</i>,7<i>S</i>,8a<i>S</i>)-1,7-Dihydroxyindolizidine Hydrate","Acta Crystallographica Section C","1998","54","11","1705","1707","10.1107/S0108270198005939","","","0.71069","MoKα","","0.056","0.043","","0.131","0.122","","","","1.062","1.101","1.101","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007869","12.288","0.012","17.557","0.014","7.96","0.015","90","","90","","90","","1717","4","296","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{1,3,4,7,7a,8,9,10,11,13,14,14a-dodecahydro-7,14-methano-2H,6H-dipyrido [1,2-a:1',2'-e][1,5]diazocine-N,N'}dinitrito-O;O,O'-copper(II)","","- C15 H26 Cu N4 O4 -","- C15 H26 Cu N4 O4 -","- C60 H104 Cu4 N16 O16 -","4","1","TA1191","Lee, Yong-Min; Choi, Sung-Nak; Suh, Il-Hwan; Bereman, Robert D.","({-})-Sparteine Copper(II) Dinitrite","Acta Crystallographica Section C","1998","54","11","1582","1584","10.1107/S0108270198005617","","","0.71073","MoKα","","","0.057","","","","0.084","","","","","","1.203","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007873","5.4367","0.0007","8.0061","0.0008","29.452","0.003","90","","90","","90","","1282","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O6 -","- C13 H14 N O6 -","- C52 H56 N4 O24 -","4","1","VJ1081","Sriram, D.; Srinivasan, S.; Priya, K.; Aruna, V.; Loganathan, D.","β-1-<i>N</i>-Benzamido-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1998","54","11","1670","1672","10.1107/S0108270198007306","","","1.5418","CuKα","","0.057","0.055","","0.161","0.157","","","","1.085","1.096","1.096","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007901","11.1794","0.0009","18.505","0.002","22.409","0.002","90","","90","","90","","4635.9","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Tetracyclo-Tri-μ-(N-ethylthiourea)-tris(iodocopper(I)) Monohydrate","","- C18 H50 Cu4 I4 N12 O S6 -","- C18 H48 Cu4 I4 N12 O S6 -","- C72 H192 Cu16 I16 N48 O4 S24 -","4","1","CF1242","Chaveng Pakawatchai; Yupa Thanyasirikul; Tapanee Saepae; Suwaluk Pansook; Hoong-Kun Fun; Kandasamy Chinnakali","Hexakis(μ-<i>N</i>-ethylthiourea-<i>S</i>)tetrakis[iodocopper(I)] Monohydrate","Acta Crystallographica Section C","1998","54","12","1750","1752","10.1107/S0108270198010440","","","0.71073","MoKα","","0.0942","0.0408","","0.0924","0.0783","","","","0.794","0.971","0.971","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007908","8.777","0.002","12.557","0.002","27.324","0.005","90","","90","","90","","3011.5","1","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-benzoyl-4-hydroxy-6-6-dimethyl-1,5,7-tri(3-methyl-2-butenyl)bicyclo[3.3.1] non-3-ene-2,9-dione","","- C33 H42 O4 -","- C33 H42 O4 -","- C132 H168 O16 -","4","1","DA1009","Santos, Marcelo H.; Speziali, Nivaldo L.; Nagem, Tanus J.; Oliveira, Tânia T.","Epiclusianone: a New Natural Product Derivative of Bicyclo[3.3.1]nonane-2,4,9-trione","Acta Crystallographica Section C","1998","54","12","1990","1992","10.1107/S0108270198006477","","","0.71073","MoKα","","","0.0648","","","0.0585","","","","","1.54","1.54","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007919","7.436","0.002","8.438","0.002","19.607","0.003","90","","90","","90","","1230.2","0.5","287","2","287","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-methyl-4-methylamino- (1H)-pyrimidin-2-one","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","1","FG1466","Audette, Gerald F.; Kumar, Sashi V.P.; Gupta, Sagar V.; Quail, J. Wilson","<i>N</i>^4^,5-Dimethyl-2'-deoxycytidine","Acta Crystallographica Section C","1998","54","12","1987","1990","10.1107/S0108270198008026","","","0.7093","MolybdenumKα","","0.0565","0.0364","","","","0.1064","","","","","","1.058","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007922","7.564","0.002","11.619","0.002","14.361","0.003","90","","90","","90","","1262.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-[(3-hydroxypropionato)pentaaquoyttrium(III)] Bromide Chloride","","- C3 H15 Br Cl O8 Y -","- C3 H13 Br Cl O8 Y -","- C12 H52 Br4 Cl4 O32 Y4 -","4","1","FG1475","Mague, Joel T.; Apblett, Allen W.; Todorova, Galina","Metal Alkoxycarboxylate Complexes. II. Poly[diaquabis(3-hydroxypropionato)yttrium(III)] Bromide and <i>catena</i>-Poly[pentaaqua(3-hydroxypropionato)yttrium(III)] Bromide Chloride","Acta Crystallographica Section C","1998","54","12","1784","1787","10.1107/S010827019800955X","","","0.71073","MoKα","","0.0496","0.0313","","0.096","","0.0896","","","1.089","","","1.118","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007949","7.449","0.003","10.724","0.004","17.733","0.01","90","","90","","90","","1416.6","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,7,7,12-Tetramethyl-2-oxa-tricyclo[6.4.0.0 ^4,9^]dodecane-3(R),12(R)-diol","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","GS1013","Chiaroni, Angèle; Riche, Claude; Lassaba, Essediya; Benharref, Ahmed","(3<i>R</i>,12<i>R</i>)-4,7,7,12-Tétraméthyl-2-oxatricyclo[6,4,0,0^4,9^]dodécane-3,12-diol. Produit de Réarrangement d'un Diépoxyde d'α-<i>cis</i>-Himachalène","Acta Crystallographica Section C","1998","54","12","1964","1965","10.1107/S0108270198009317","","","0.7109","MoKα","","0.0533","0.0403","","0.1325","0.1112","","","","1.09","1.086","1.086","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007950","13.3229","0.0008","15.9278","0.0013","32.613","0.002","90","","90","","90","","6920.6","0.8","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 N5 O4 Si3 -","- C27 H46.5 N5 O4 Si3 -","- C216 H372 N40 O32 Si24 -","8","2","HA1212","Rolf Buff; Helen Stoeckli-Evans; Jürg Hunziker","2'-Deoxy-3',5'-<i>O</i>-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-2'-<i>C</i>-(2-trimethylsilylethynyl)-<small>D</small>-adenosine","Acta Crystallographica Section C","1998","54","12","1860","1862","10.1107/S0108270198008117","","","0.71073","MoKα","","0.0652","0.0363","","","","0.0779","","","","","","0.828","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2007968","8.162","0.002","9.919","0.002","22.021","0.004","90","","90","","90","","1782.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","17-Ethylenedioxyandrost-4-ene-3,6-dione","17-Ethylenedioxyandrost-4-ene-3,6-dione","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","KA1285","Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju","17,17-Ethylenedioxyandrost-4-ene-3,6-dione and 17,17-Ethylenedioxyandrosta-1,4-diene-3,6-dione","Acta Crystallographica Section C","1998","54","12","1894","1898","10.1107/S0108270198008385","","","0.71073","MoKα","","0.066","0.0331","","0.0981","0.0829","","","","1.064","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007969","9.854","0.002","10.86","0.002","16.524","0.003","90","","90","","90","","1768.3","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","17-Ethylenedioxyandrosta-1,4-diene-3,6-dione","17-Ethylenedioxyandrosta-1,4-diene-3,6-dione","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","KA1285","Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju","17,17-Ethylenedioxyandrost-4-ene-3,6-dione and 17,17-Ethylenedioxyandrosta-1,4-diene-3,6-dione","Acta Crystallographica Section C","1998","54","12","1894","1898","10.1107/S0108270198008385","","","0.71073","MoKα","","0.1084","0.0375","","0.1158","0.0888","","","","1.035","1.094","1.094","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007970","7.9475","0.0005","8.3767","0.0007","25.019","0.002","90","","90","","90","","1665.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5β-androstan-3,17-dione","5β-androstan-3,17-dione","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","KA1287","Addlagatta Anthony; Mariusz Jaskolski; Ashwini Nangia; Gautam R. Desiraju","5β-Androstan-3,17-dione","Acta Crystallographica Section C","1998","54","12","1898","1900","10.1107/S010827019800804X","","","1.54178","CuKα","","0.04","0.032","","0.093","0.084","","","","1.049","1.043","1.043","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007972","9.727","0.002","10.335","0.002","24.177","0.005","90","","90","","90","","2430.5","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β-acetoxy-17β-picolyl-5-androsten-16-one.","","- C27 H35 N O3 -","- C27 H35 N O3 -","- C108 H140 N4 O12 -","4","1","LN1052","Lazar, Dušan; Stanković, Slobodanka; Sakač, Marija; Penov-Gašić, Katarina; Kovačević, Radmila; Medić-Mijačević, Ljubica; Pilati, Tullio","Structure‒Activity Relationships in 16- and 17-Substituted 5-Androstenes: 3β-Acetoxy-17β-picolyl-5-androsten-16-one","Acta Crystallographica Section C","1998","54","12","1965","1968","10.1107/S0108270198009342","","","0.71073","MoKα","","0.13","0.057","","0.19","0.133","","","","0.893","0.926","0.926","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2007984","7.0585","0.0006","7.0673","0.0004","40.53","0.002","90","","90","","90","","2021.8","0.2","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-) (2S)-1-[(3,4-dichlorophenyl)acetyl]-2-[(1-piperidinylium)methyl]piperidine chloride","","- C19 H27 Cl3 N2 O -","- C19 H27 Cl3 N2 O -","- C76 H108 Cl12 N8 O4 -","4","1","NA1373","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; De Ranter, Camiel J.","Two 1-(Arylacetyl)-2-(aminomethyl)piperidine Derivatives, a Novel Class of Highly Selective κ-Opioid Analgesics","Acta Crystallographica Section C","1998","54","12","1968","1970","10.1107/S0108270198008191","","","1.54184","CuKα","","0.034","0.032","","0.097","","0.097","","","1.059","","","1.059","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007988","7.204","0.0013","7.6076","0.0011","35.187","0.009","90","","90","","90","","1928.4","0.7","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-Cyclohexadiene-1,4-dione,3-(methylamino)-5-[(1,2,3,4,4a,7,8, 8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl] 4'-METHYLAMINO AVARONE","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C88 H124 N4 O8 -","4","1","NA1378","Puliti, Raffaella; De Rosa, Salvatore; Mattia, Carlo Andrea","4'-Methylaminoavarone from <i>Dysidea avara</i>","Acta Crystallographica Section C","1998","54","12","1954","1957","10.1107/S010827019800924X","","","1.54056","CuKα","","0.0509","0.0447","","","0.0443","","","","","0.927","0.927","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2007989","9.069","0.005","9.595","0.003","21.624","0.007","90","","90","","90","","1881.7","1.3","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(1'-hydroxy-4'-isopropyl-2',2'-dimethyl-1',2' -dihydrobenzocyclobuten-1'-yl)-3-mrthyl-2 -butanone ethylene acetal","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","OA1055","Iida, Katsumi; Kawata, Etsuya; Komada, Kaori; Saito, Masaichi; Kumakura, Shigekazu; Yoshioka, Michikazu","Highly Strained C—C Bonds: 3-(1'-Hydroxy-4'-isopropyl-2',2'-dimethyl-1',2'-dihydrobenzocyclobuten-1'-yl)-3-methyl-2-butanone Ethylene Acetal, (I), and (3<i>S</i>^*^,1'<i>S</i>^*^)-3-Acetoxy-2-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-2-methylpentane, (II)","Acta Crystallographica Section C","1998","54","12","1938","1941","10.1107/S0108270198009895","","","0.71073","MoKα","","","0.068","","","","0.071","","","","","","1.32","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007992","7.15","0.002","10.284","0.002","27.726","0.002","90","","90","","90","","2038.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O5 S -","- C19 H32 O5 S -","- C76 H128 O20 S4 -","4","1","","S. Yonezawa; M. Leblanc; A. Guesdon; C. Alexandre","1-(5-Methanesulfinyl-2,2,6-trimethyl-3a,3b,4,5,6,8a-hexahydro-1, 3,8-trioxacyclopenta[a]inden-5-yl)hexan-1-ol","Acta Crystallographica Section C","1998","54","","1986","1987","","","","","","","","0.0392","","","0.108","","","","","","","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008014","7.5872","0.0001","11.1006","0.0002","19.6648","0.0001","90","","90","","90","","1656.22","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4-Diphenyl-2,2,3,3-tetrachlorbicyclo[2.2.0]hexane","","- C18 H14 Cl4 -","- C18 H14 Cl4 -","- C72 H56 Cl16 -","4","1","QA0070","Boese, Roland; Roth, Wolfgang R.; Bläser, Dieter; Latz, Rüdiger; Bäumen, Anja","2,2,3,3-Tetrachloro-1,4-diphenylbicyclo[2.2.0]hexane, a Strained Bicyclic System","Acta Crystallographica Section C","1998","54","12","IUC9800072","","10.1107/S0108270198099107","","","0.71073","MoKα","","0.039","0.036","","","","0.092","","","","","","1.094","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008030","4.1787","0.0005","13.245","0.002","14.856","0.003","90","","90","","90","","822.2","0.2","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4-dibromo-6-chloroaniline","","- C6 H4 Br2 Cl N -","- C6 H4 Br2 Cl N -","- C24 H16 Br8 Cl4 N4 -","4","1","SK1221","Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L.","2,4,6-Halogeno-Aniline Derivatives","Acta Crystallographica Section C","1998","54","12","1974","1977","10.1107/S0108270198009354","","","0.7107","MolybdenumKα","","0.153","0.063","","","","0.142","","","","","","0.937","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008032","4.5575","0.0005","11.4987","0.0012","15.026","0.002","90","","90","","90","","787.44","0.16","294","1","294","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N-formyl 4-bromo-2,6-difluoroaniline","","- C7 H4 Br F2 N O -","- C7 H4 Br F2 N O -","- C28 H16 Br4 F8 N4 O4 -","4","1","SK1221","Ferguson, George; Low, John N.; Penner, Glenn H.; Wardell, James L.","2,4,6-Halogeno-Aniline Derivatives","Acta Crystallographica Section C","1998","54","12","1974","1977","10.1107/S0108270198009354","","","0.7107","MolybdenumKα","","0.089","0.054","","","","0.137","","","","","","0.975","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008034","22.322","0.005","11.801","0.003","7.425","0.001","90","","90","","90","","1955.9","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-Tetrahydropalmatine Monohydrate","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","SK1224","Luger, Peter; Weber, Manuela; Dung, Nguyen Xuan; Moi, La Dinh; Khoi, Ta Thi; Phuong, Doan Lan","({-})-Tetrahydropalmatine Monohydrate","Acta Crystallographica Section C","1998","54","12","1977","1980","10.1107/S0108270198009676","","","1.5418","CuKα","","0.064","0.039","","0.117","0.104","","","","1.166","1.236","1.236","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008038","7.8978","0.0001","9.1364","0.0002","13.7581","0.0001","90","","90","","90","","992.75","0.03","198","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 N2 O6 -","- C7 H14 N2 O6 -","- C28 H56 N8 O24 -","4","1","SX1069","Jarred T. Blank; Slawomir Z. Janicki; Peter A. Petillo","β-1-<i>N</i>-Ureido-<small>D</small>-glucopyranose","Acta Crystallographica Section C","1998","54","12","1992","1994","10.1107/S0108270198007665","","","0.71073","MoKα","","0.041","0.038","","0.089","0.086","","","","1.086","1.083","1.083","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008107","13.455","0.005","30.61","0.01","6.694","0.005","90","","90","","90","","2757","2","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-hydroxy tricyclo[5.3.1^1,7^.0^1,5^]undecan-9-one","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","1","QA0073","Ai, Hui; Song, Yi-Lin; Tao, Feng-Gang","8-Hydroxycedran-9-one","Acta Crystallographica Section C","1999","55","1","IUC9800080","","10.1107/S010827019909993X","","","0.7107","MoKα","","","0.056","","","0.057","","","","","1.73","1.73","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008118","6.3833","0.0003","10.9108","0.0006","37.2967","0.0019","90","","90","","90","","2597.6","0.2","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Scalarin","12α-acetoxy-19α-hydroxyscalar-19,20-olide methanol solvate","","- C28 H44 O6 -","- C28 H44 O6 -","- C112 H176 O24 -","4","1","SX1072","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Yang, Xiao-Shuang","Scalarolide and scalarin, sesterterpenes from Cacospongia and Ircinia sponges","Acta Crystallographica Section C","1999","55","1","112","114","10.1107/S0108270198011305","","","0.71073","MoKα","","0.0934","0.0565","","","","0.1346","","","","","","1.076","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008120","7.713","0.002","8.674","0.001","28.325","0.006","90","","90","","90","","1895","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ter-butoxy carbonyl L-Leucyl-L-Threonyl amide","","- C15 H29 N3 O5 -","- C15 H28 N3 O5 -","- C60 H112 N12 O20 -","4","1","VJ1089","S. Banumathi; D. Velmurugan; E. Subramanian; N. Ashish; R. Kishore","<i>tert</i>-Butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-threoninamide","Acta Crystallographica Section C","1999","55","1","78","79","10.1107/S0108270198010385","","","1.5418","CuKα","","0.0619","0.059","","","","0.1759","","","","","","1.008","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008134","7.756","0.006","17.107","0.002","6.09","0.002","90","","90","","90","","808","0.7","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N2 O4 -","- C6 H10 N2 O4 -","- C24 H40 N8 O16 -","4","1","CF1254","Okabe, Nobuo; Adachi, Yukari","(<i>S</i>)-2-Hydroxy-3-(1<i>H</i>-imidazol-5-yl)propanoic acid hydrate","Acta Crystallographica Section C","1999","55","2","217","218","10.1107/S0108270198012542","","","0.71069","MoKα","","","0.06","","","0.107","","","","","1.44","1.44","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008147","10.253","0.001","11.2035","0.0009","8.008","0.001","90","","90","","90","","919.87","0.16","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-aminohippuric acid","","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","FR1150","Dobson, Allison J.; Gerkin, Roger E.","Hydrogen bonding in 4-aminohippuric acid","Acta Crystallographica Section C","1999","55","2","206","208","10.1107/S0108270198011767","","","0.71073","MoKα","","","0.036","","","0.059","","","","","1.76","1.76","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008154","8.792","0.002","12.481","0.002","18.44","0.004","90","","90","","90","","2023.5","0.7","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 O7 S -","- C18 H30 O7 S -","- C72 H120 O28 S4 -","4","1","GS1019","Alayrac, Carole; Saint-Clair, Jean-François; Lemarié, Margareth; Metzner, Patrick; Averbuch-Pouchot, Marie-Thérèse","1,2:5,6-Di-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranosyl (<i>S</i>)-cyclohexanesulfinate","Acta Crystallographica Section C","1999","55","2","262","264","10.1107/S0108270198012384","","","0.7107","MoKα","","0.04","0.04","","0.045","0.045","","","","1.854","1.854","1.854","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008158","6.1925","0.0001","10.2272","0.0003","24.8189","0.0006","90","","90","","90","","1571.83","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(3-furyl)-1,4,6,6a,7,10,10a,10b-octahydro-6a,10b-dimethyl-2H-naptho [2,1-c]pyran-7,4-dione","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","HA1236","Nor Aziyah Bakhari; Sam Teng Wah; Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak","Δ^8,9^-Decarboxyfibleucin from <i>Fibraurea chloroleuca</i> Miers","Acta Crystallographica Section C","1999","55","2","228","230","10.1107/S0108270198011962","","","0.71073","MoKα","","0.086","0.054","","","","0.113","","","","","","1.086","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008163","8.111","0.001","13.449","0.002","24.09","0.005","90","","90","","90","","2627.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2S,2(1R),2(2R),4R]-2-ethyl-2-(2-hydroxy-1-methyl-2-phenylpropyl- 3-tosyl-4-phenyl-1,3-oxazolidine","","- C28 H33 N O4 S -","- C28 H33 N O4 S -","- C112 H132 N4 O16 S4 -","4","1","JZ1328","Bolte, Michael; Monz, Sabine; Wagner, Kerstin","Three 3-arylsulfonyl-1,3-oxazolidines","Acta Crystallographica Section C","1999","55","2","222","226","10.1107/S010827019801258X","","","1.5418","CuKα","","0.032","0.031","","","","0.085","","","","","","1.051","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008164","8.901","0.001","11.935","0.002","25.898","0.002","90","","90","","90","","2751.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2S,2(1R),4R]-2-[1-(3-ethoxy-3-oxo)-1-hydroxy-1-phenylpropyl]-2-ethyl- 3-tosyl-4-phenyl-1,3-oxazolidine","","- C29 H33 N O6 S -","- C29 H33 N O6 S -","- C116 H132 N4 O24 S4 -","4","1","JZ1328","Bolte, Michael; Monz, Sabine; Wagner, Kerstin","Three 3-arylsulfonyl-1,3-oxazolidines","Acta Crystallographica Section C","1999","55","2","222","226","10.1107/S010827019801258X","","","1.5418","CuKα","","0.046","0.042","","","","0.109","","","","","","1.048","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008165","11.054","0.001","14.824","0.003","15.25","0.003","90","","90","","90","","2498.9","0.7","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2,3,4,5)-tetrahydro-3-methylen-2-oxo-5-phenyl-furan-5-yl)- 1,3-oxazolidine","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C112 H108 N4 O20 S4 -","4","1","JZ1328","Bolte, Michael; Monz, Sabine; Wagner, Kerstin","Three 3-arylsulfonyl-1,3-oxazolidines","Acta Crystallographica Section C","1999","55","2","222","226","10.1107/S010827019801258X","","","1.5418","CuKα","","0.03","0.029","","0.084","0.081","","","","1.06","1.06","1.06","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008186","13.129","0.003","19.201","0.004","27.672","0.006","90","","90","","90","","6976","3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-(1R,5S,6R)-1-[3-(9,9-Dimethyl-4,4-dioxo-4λ^6^-thiatricyclo[6.1.1.0^2,6^]- dec-2-en-5-yl)-2-tert-butyldimethylsilyloxy-4,6-dimethoxy-phenyl]-3-methyl- butan-1-one","","- C32.5 H52 O6.5 S Si -","- C32.5 H52 O6.5 S Si -","- C260 H416 O52 S8 Si8 -","8","2","QA0081","Bats, Jan W.; Berger, Bernd; Gerlach, Matthias; Reggelin, Michael","(+)-(1<i>R</i>,5<i>S</i>,6<i>R</i>)-1-[3-(9,9-Dimethyl-4,4-dioxo-4λ^6^-thiatricyclo[6.1.1.0^2,6^]dec-2-en-5-yl)-2-<i>tert</i>-butyldimethylsilyloxy-4,6-dimethoxyphenyl]-3-methylbutan-1-one methyl <i>tert</i>-butyl ethersolvate at 133K","Acta Crystallographica Section C","1999","55","2","IUC9900002","","10.1107/S0108270199099837","","","0.71073","MoKα","","0.103","0.061","","","","0.114","","","","","","1.096","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008203","7.268","0.002","12.747","0.002","13.357","0.004","90","","90","","90","","1237.5","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(4-pyridyl)-5-phenylhydantoin","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","BK1423","Eknoian, Michael W.; Webb, Thomas R.; Worley, S. Davis; Braswell, Anthony; Hadley, Johnathan","5-(4-Pyridyl)-5-phenylhydantoin","Acta Crystallographica Section C","1999","55","3","405","407","10.1107/S0108270198014528","","","0.71073","MoKα","","0.0338","0.0306","","0.0784","0.076","","","","1.111","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008213","7.3648","0.0005","8.1825","0.0006","32.657","0.002","90","","90","","90","","1968","0.2","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-2-[(dimethylaminium)methyl]-1-[(5,6,7,8-tetrahydro-5-oxo-2-naphtyl) acetyl]piperidine chloride","","- C20 H29 Cl N2 O2 -","- C20 H29 Cl N2 O2 -","- C80 H116 Cl4 N8 O8 -","4","1","BM1280","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; Camiel J. De Ranter","Novel selective κ-opioid ligands","Acta Crystallographica Section C","1999","55","3","458","461","10.1107/S0108270198012736","","","1.54184","CuKα","","0.041","0.0375","","0.1208","","0.1208","","","1.136","","","1.136","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008214","7.2011","0.0008","7.63","0.0006","41.223","0.003","90","","90","","90","","2265","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(2S)-2-[(Methylethylaminium)methyl]-1-[(5,6,7,8-tetrahydro-5-oxo-2- naphthyl)acetyl]piperidine chloride dihydrate","","- C21 H35 Cl N2 O4 -","- C21 H35 Cl N2 O4 -","- C84 H140 Cl4 N8 O16 -","4","1","BM1280","Peeters, Oswald M.; Jamroz, Dorota; Norbert M. Blaton; Camiel J. De Ranter","Novel selective κ-opioid ligands","Acta Crystallographica Section C","1999","55","3","458","461","10.1107/S0108270198012736","","","1.54184","CuKα","","0.0819","0.05","","0.1302","","0.1302","","","1.062","","","1.062","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008223","6.793","0.0001","14.0076","0.0002","22.277","0.0001","90","","90","","90","","2119.74","0.04","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2'R,6'R)-4-Hydroxy-3-(2""methylprop-2""-enyloxo)-2-(4',4',6'-trimethyl- 1',3'-dioxan-2'-yl)anthraquinone.","","- C25 H26 O5 -","- C25 H26 O5 -","- C100 H104 O20 -","4","1","BM1293","Cambie, Richard C.; Lorimer, Rachel M.; Rickard, Clifton E. F.; Rutledge, P. Stewart","Two dioxane derivatives of anthraquinone","Acta Crystallographica Section C","1999","55","3","436","439","10.1107/S0108270198014541","","","0.71073","MoKα","","0.044","0.034","","","","0.086","","","","","","1.035","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008225","10.2981","0.0008","10.8896","0.0009","12.1733","0.0007","90","","90","","90","","1365.14","0.17","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S,5R)-(-)-2-(1,3-thiazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine","","- C14 H16 N2 O S -","- C14 H16 N2 O S -","- C56 H64 N8 O4 S4 -","4","1","BM1296","Fitzsimons, Lavelle M.; Gallagher, John F.","Intermolecular C—H···N and C—H···O interactions in (2<i>S</i>,4<i>S</i>,5<i>R</i>)-(‒)-3,4-dimethyl-5-phenyl-2-(1,3-thiazol-2-yl)-1,3-oxazolidine","Acta Crystallographica Section C","1999","55","3","472","474","10.1107/S0108270198014103","","","0.7107","MolybdenumKα","","0.0434","0.0347","","","","0.0905","","","","","","1.024","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008239","4.906","0.003","14.838","0.005","19.488","0.003","90","","90","","90","","1418.6","1","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-hydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-5-methoxymethyl- 4-dimethylamino-(1H)-pyrimidin-2-one","","- C13 H21 N3 O5 -","- C13 H21 N3 O5 -","- C52 H84 N12 O20 -","4","1","DA1046","Audette, Gerald F.; Zoghaib, Wajdi M.; Gupta, Sagar V.; Quail, J. Wilson; Delbaere, Louis T. J.","<i>N</i>,<i>N</i>-Dimethyl-5-methoxymethyl-2'-deoxycytidine","Acta Crystallographica Section C","1999","55","3","427","430","10.1107/S0108270198013249","","","0.7093","MoKα","","0.046","0.037","","","","0.09","","","","","","1.065","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008240","6.5429","0.0008","9.0345","0.0009","23.894","0.004","90","0.011","90","0.011","90","0.01","1412.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Equilin","3-Hydroxyestra-1,3,5(10),7-tetraen-17-one","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","DA1048","Sawicki, Mark W.; Li, Naiyin; Ghosh, Debashis","Equilin","Acta Crystallographica Section C","1999","55","3","425","427","10.1107/S0108270198013250","","","1.54178","CuKα","","0.052","0.05","","","","0.134","","","","","","1.071","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008242","8.045","0.002","8.937","0.002","26.773","0.003","90","0.01","90","0.01","90","0.02","1924.9","0.7","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5'-(toluenesulfonyl)adenosine","","- C17 H19 N5 O6 S -","- C17 H19 N5 O6 S -","- C68 H76 N20 O24 S4 -","4","1","DE1093","D. Prahadeeswaran; T. Parthasarathy Seshadri","5'-<i>O</i>-(Toluenesulfonyl)adenosine","Acta Crystallographica Section C","1999","55","3","389","391","10.1107/S0108270198013262","","","1.5418","CuKα","","0.055","0.039","","0.129","0.115","","","","1.032","1.049","1.049","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008253","8.817","0.002","9.872","0.002","13.672","0.003","90","","90","","90","","1190","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Idazoxan hydrobromide","2-(1,4-benzodioxan-2-yl)imidazolinium bromide","","- C11 H13 Br N2 O2 -","- C11 H13 Br N2 O2 -","- C44 H52 Br4 N8 O8 -","4","1","FR1149","Brunel, Serge; Maurel, Jean Louis; Ribet, Jean Paul; Monconduit, Laure; Tillard, Monique; Belin, Claude","Absolute configuration of 2-(1,4-benzodioxan-2-yl)imidazolinium bromide","Acta Crystallographica Section C","1999","55","3","441","443","10.1107/S0108270198013286","","","0.71073","MoKα","","0.08","0.036","","","","0.089","","","","","","0.959","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008263","10.313","0.004","11.871","0.002","12.713","0.002","90","","90","","90","","1556.4","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2(S)-7-methoxy-2-(3-(R)-4,5-dihydro-4,4-dimethyl-3H-2-oxo-3-oxicarbonyl)- 2,3-dihydro-1,4-benzodioxin","","- C16 H18 O7 -","- C16 H18 O7 -","- C64 H72 O28 -","4","1","GS1024","Mostafa Khouili; M. Dolors Pujol; Xavier Solans; Mercè Font-Bardia; Abdelaman Souizi; Gerard Coudert; Gerald Guillaumet","(3<i>R</i>)-4,4-Dimethyl-2-oxotetrahydrofuran-3-yl (<i>2S</i>)-7-methoxy-2,3-dihydro-1,4-benzodioxin-2-carboxylate","Acta Crystallographica Section C","1999","55","3","387","389","10.1107/S0108270198013900","","","0.71069","MoKα","","0.0631","0.0536","","","","0.152","","","","","","1.049","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008277","9.3138","0.0008","10.1641","0.0008","18.0633","0.0015","90","","90","","90","","1710","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cr O3 -","- C18 H22 Cr O3 -","- C72 H88 Cr4 O12 -","4","1","","Bahija Abouhamza; Larbi El Firdoussi; Smaïl Allaoud; Abdellah Karim; Alejandro F. Barrero; Miguel Quirós","(η^6^-Arylhimachalene)tricarbonylchromium(0)","Acta Crystallographica Section C","1999","55","","361","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2008285","5.776","0.008","12.599","0.005","15.288","0.005","90","","90","","90","","1112.5","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","QA0083","Kumar, G. Biju; Shah, Amrish C.; Cardin, Christine J.; Trenkle, Markus","A substituted isoindolin-1-one derived from (<i>R</i>)-(‒)-2-amino-1-butanol","Acta Crystallographica Section C","1999","55","3","IUC9900019","","10.1107/S0108270199099758","","","0.71073","MoKα","","0.056","0.04","","0.135","0.092","","","","1","1.018","1.018","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008289","9.789","0.007","12.754","0.003","24.586","0.009","90","","90","","90","","3070","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","C14-oxygenated taxoid","Taxa-4(20),11-diene-2α,5α,10β,14β-tetrayl 2α,5α,10β-triacetate 14β-(2-methylbutyrate)","","- C31 H46 O8 -","- C31 H46 O8 -","- C124 H184 O32 -","4","1","QA0094","Chattopadhyay, Sunil K.; Sarkhel, Sanjay; Kulshrestha, Manish; Maulik, Prakas R.","A C-14 oxygenated taxoid from the heartwood of <i>Taxus wallichiana</i>","Acta Crystallographica Section C","1999","55","3","IUC9900014","","10.1107/S0108270199099722","","","0.71073","MoKα","","0.1324","0.0665","","0.2701","0.1886","","","","0.731","0.805","0.805","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008302","7.941","0.003","17.481","0.002","14.511","0.003","90","","90","","90","","2014.4","0.9","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(3R,4S,4aR,10aS)-5,10-diacetyl-3,4,4a,5,6,7,10a,10-octahydro-8-methoxy-6-oxo -2H-pyrano[3,2g]pteridin]-3,4-diyl diacetate","","- C18 H22 N4 O9 -","- C18 H22 N4 O9 -","- C72 H88 N16 O36 -","4","1","SK1253","Low, John N.; M. Dolores López; M. Luisa Quijano; Sánchez, Adolfo; Nogueras, Manuel","(3<i>R</i>,4<i>S</i>,4a<i>R</i>,10a<i>S</i>)-5,10-Diacetyl-3,4,4a,5,6,7,10,10a-octahydro-8-methoxy-6-oxo-2<i>H</i>-pyrano[3,2-<i>g</i>]pteridin-3,4-diyl diacetate","Acta Crystallographica Section C","1999","55","3","452","454","10.1107/S0108270198014371","","","0.71073","MoKα","","0.054","0.039","","","","0.084","","","","","","0.837","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008305","16.517","0.003","23.533","0.005","5.1124","0.0006","90","","90","","90","","1987.2","0.6","293","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","d[gamma]afg","Retro-enantiomeric [gammaCONH]-achatin-I, H-D-Asp-[γCONH]-D-Ala-L-Phe-Gly-OH","","- C18 H24 N4 O7 -","- C18 H24 N4 O7 -","- C72 H96 N16 O28 -","4","1","SX1074","Doi, Mitsunobu; Asano, Akiko; Ishida, Toshimasa; Minakata, Hiroyuki; Nomoto, Kyosuke","A β-turn retro-enantiomeric analogue of achatin-I, H‒<small>D</small>-Asp-[γCONH]-<small>D</small>-Ala‒<small>L</small>-Phe‒Gly‒OH","Acta Crystallographica Section C","1999","55","3","422","424","10.1107/S0108270198012141","","","1.5418","CuKα","","0.061","0.045","","","","0.143","","","","","","1.134","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008309","6.698","0.001","7.171","0.001","30.604","0.005","90","","90","","90","","1470","0.4","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C64 H60 N4 O16 S4 -","4","1","BK1392","Kumaradhas, P.; Kalyanam, N.; Ravikumar, K.; Chandra Mohan, K.; Sridhar, M.A.; Shashidhara Prasad, J.; Nirmala, K.A.","(+)-<i>cis</i>-3-Hydroxy-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-oxide","Acta Crystallographica Section C","1999","55","4","614","615","10.1107/S0108270198012827","","","0.71073","MoKα","","","0.0438","","","0.0897","","","","","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008316","5.8512","0.0002","13.041","0.0006","14.8412","0.0007","90","","90","","90","","1132.47","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-imino(dimethylamino)benzenesulfonic acid","","- C9 H14 N2 O4 S -","- C9 H14 N2 O4 S -","- C36 H56 N8 O16 S4 -","4","1","BK1436","Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur","A Schiff base formed from sulfanilic acid and dimethylformamide","Acta Crystallographica Section C","1999","55","4","697","698","10.1107/S0108270198016060","","","0.71073","MoKα","","0.0465","0.0343","","","","0.0818","","","","","","1.129","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008323","8.915","0.004","10.623","0.004","17.243","0.005","90","","90","","90","","1633","1.1","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diosbulbin-B","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","BM1291","Singh, Amarjit; Parmar, Virinder S.; Errington, William; Howarth, Oliver W.; Lawrie, Stephen","Diosbulbin B, a constituent of <i>Dioscorea pentaphylla</i>","Acta Crystallographica Section C","1999","55","4","559","561","10.1107/S0108270198014978","","","0.71073","MoKα","","0.064","0.044","","","","0.097","","","","","","1.106","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008327","9.782","0.002","10.283","0.002","10.497","0.002","90","","90","","90","","1055.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Mn N O7 -","- C6 H13 Mn N O7 -","- C24 H52 Mn4 N4 O28 -","4","1","BR1217","Liu, Ye-Qi; Wei, Yong-Ge; Liu, Qun; Zhang, Shi-Wei; Shao, Mei-Cheng","A one-dimensional coordination polymer of manganese(II) with <i>N</i>-(2-hydroxyethyl)iminodiacetate: {[Mn(Hheidi)(H~2~O)]^.^H~2~O}~<i>n~</i>","Acta Crystallographica Section C","1999","55","4","534","536","10.1107/S0108270198016084","","","0.71073","MoKα","","0.044","0.038","","0.106","0.094","","","","1.031","1.035","1.035","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008344","7.791","0.001","11.198","0.001","16.986","0.002","90","","90","","90","","1481.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Santonic Acid","(-)-octahydro-α,3a,5-trimethyl-6,8-dioxo-1,4-methano- 1H-indene-1-acetic acid","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","FG1516","Brunskill, Andrew P. J.; Thompson, Hugh W.; Lalancette, Roger A.","Santonic acid: catemeric hydrogen bonding in a γ,ε-diketo carboxylic acid","Acta Crystallographica Section C","1999","55","4","566","568","10.1107/S0108270198014231","","","0.71073","MoKα","","0.077","0.053","","0.135","0.12","","","","1.08","1.12","1.12","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008345","10.3179","0.0001","13.6397","0.0001","27.183","0.0005","90","","90","","90","","3825.55","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Leucyl-L-leucine 2-methyl-1-propanol (1:1)","","- C16 H34 N2 O4 -","- C16 H34 N2 O4 -","- C128 H272 N16 O32 -","8","2","FG1518","Görbitz, Carl Henrik","<small>L</small>-Leucyl-<small>L</small>-leucine 2-methyl-1-propanol solvate","Acta Crystallographica Section C","1999","55","4","670","672","10.1107/S0108270198016369","","","0.71073","MoKα","","0.077","0.059","","0.145","0.135","","","","1.076","1.104","1.104","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008361","10.494","0.004","13.11","0.004","13.485","0.004","90","","90","","90","","1855.2","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Complexe de cuivre(II) diamino-1,2(cyclohexane diacétatodiacétique) trihydrate","","- C14 H26 Cu N2 O11 -","- C14 H26 Cu N2 O11 -","- C56 H104 Cu4 N8 O44 -","4","1","GS1006","Ben Amor, Fatma; Jouini, Tahar","Complexe de cuivre(II) diamino-1,2-(cyclohexane diacétatodiacétique) trihydrate","Acta Crystallographica Section C","1999","55","4","499","501","10.1107/S0108270198011561","","","0.71069","MoKα","","0.048","0.037","","0.1","0.09","","","","1.093","1.061","1.061","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2008375","9.798","0.003","18.752","0.004","19.246","0.002","90","","90","","90","","3536.1","1.4","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S,4S,5R,6S)-2-benzylcarbamoyl-6-bromo-3,3-dimethyl-4-thia-1- -azabicyclo[3.2.0]heptan-7-one 4-oxide hydrate","","- C15 H19 Br N2 O4 S -","- C15 H19 Br N2 O4 S -","- C120 H152 Br8 N16 O32 S8 -","8","2","KA1291","Danilovski, Aleksandar; Vinković, Mladen; Herak, Jure J.","Two novel optically active penam derivatives","Acta Crystallographica Section C","1999","55","4","656","659","10.1107/S0108270198015108","","","0.71073","MoKα","","0.28","0.069","","0.178","0.118","","","","0.969","1.239","1.239","","","","","has coordinates","203832","2020-10-21","18:00:00",""
"2008382","9.2654","0.0012","10.6629","0.0014","27.703","0.004","90","","90","","90","","2736.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25R)-3beta-bromo-6beta-acetoxy-5alfa-spirostan-23-one","","- C29 H43 Br O5 -","- C29 H43 Br O5 -","- C116 H172 Br4 O20 -","4","1","NA1383","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Ramón Pomés Hernández; Martín A. Iglesias Arteagas; Roxana Pérez Gil; Francisco Coll Manchado","(25<i>R</i>)-6β-Acetoxy-3β-bromo-5α-spirostan-23-one","Acta Crystallographica Section C","1999","55","4","601","603","10.1107/S0108270198016382","","","1.54178","CuKα","","0.081","0.061","","0.171","","0.142","","","1.097","","","1.097","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008383","9.185","0.001","12.052","0.001","18.899","0.001","90","","90","","90","","2092.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1S,R~S~)-N-methyl-6,7-dimethoxy-1-(p-tolylsulfinyl)methyl- 1-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline","","- C21 H24 F3 N O3 S -","- C21 H24 F3 N O3 S -","- C84 H96 F12 N4 O12 S4 -","4","1","NA1386","Pierfrancesco Bravo; Eleonora Corradi; Marcello Crucianelli; Stefano Valdo Meille; Matteo Zanda","(1<i>S</i>,<i>R</i>~S~)-6,7-Dimethoxy-<i>N</i>-methyl-1-(<i>p</i>-tolylsulfinylmethyl)-1-trifluoromethyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section C","1999","55","4","687","689","10.1107/S0108270198016114","","","1.5418","CuKα","","0.0757","0.0575","","","","0.1612","","","","","","1.057","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008384","9.619","0.001","10.325","0.002","18.91","0.003","90","","90","","90","","1878.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)1-(1-hydroxymethyl-propyl)-pyrrolidine-2,5-dione","","- C8 H13 N O3 -","- C8 H13 N O3 -","- C64 H104 N8 O24 -","8","2","NA1387","Pilati, Tullio; G. Biju Kumar; Amrish C. Shah","(<i>R</i>)-<i>N</i>-(1-Hydroxybut-2-yl)pyrrolidine-2,5-dione","Acta Crystallographica Section C","1999","55","4","612","613","10.1107/S010827019801484X","","","0.71073","MoKα","","0.0956","0.0465","","","","0.1163","","","","","","0.97","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008387","7.7585","0.0005","15.606","0.001","22.8759","0.0009","90","","90","","90","","2769.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl-4β-bromine-7α-cathyloxy-3-oxo-5β-cholanoate","","- C28 H43 Br O6 -","- C28 H40 Br O6 -","- C112 H160 Br4 O24 -","4","1","NA1393","Héctor Novoa de Armas; Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter; Ramón Pomés Hernández; Francisco Coll Manchado; Roxana Pérez Gil","Methyl 4β-bromo-7α-cathyloxy-3-oxo-5β-cholanoate","Acta Crystallographica Section C","1999","55","4","599","601","10.1107/S0108270198016400","","","1.54178","CuKα","","0.054","0.044","","","","0.138","","","1.071","","","1.071","","","","has coordinates","191977","2020-10-21","18:00:00",""
"2008395","7.922","0.002","8.198","0.002","26.58","0.004","90","","90","","90","","1726.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-Pentenoyl Sultam","3H-3aR,6S,7aS-8,8-Dimethyl-N-[(3S)-3,4-dimethylpent-4-enoyl]-2,2- dioxo-3a-6-methano-4,5,6,7-tetrahydro-2,1-benzisothiazole","","- C17 H27 N O3 S -","- C17 H27 N O3 S -","- C68 H108 N4 O12 S4 -","4","1","OB1002","Hughes, Andrew B.; Mackay, Maureen F.; McCaffrey, Narelle L.","Absolute structure of an <i>N</i>-pentenoyl benzisothiazole","Acta Crystallographica Section C","1999","55","4","610","612","10.1107/S0108270198016126","","","1.5418","CuKα","","0.054","0.054","","0.152","0.144","","","","1.055","1.047","1.047","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008399","5.842","0.002","16.593","0.005","17.561","0.007","90","","90","","90","","1702.3","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","toluene-4-sulfonic acid 2-isopropyl-5-methyl-cyclohexyl ester","","- C17 H26 O3 S -","- C17 H26 O3 S -","- C68 H104 O12 S4 -","4","1","QA0096","Degen, Alexander; Bolte, Michael","(‒)-3-<i>p</i>-Menthyl tosylate","Acta Crystallographica Section C","1999","55","4","IUC9900024","","10.1107/S0108270199099667","","","0.71073","MoKα","","0.039","0.031","","","","0.081","","","1.055","","","1.054","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008416","10.9185","0.0011","28.281","0.004","8.638","0.0007","90","","90","","90","","2667.3","0.5","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","L-menthyl (-)-3-methoxy-13-methyl-14-ethyl-11,12,13(S)14(R)- tetrahydrophenanthrene 13-carboxylate IUPAC: L-menthyl (-)-(1R,2S)-1-ethyl-7-methoxy-2-methyl- 1,2,3,4-tetrahydrophenanthrene-2-carboxylate","","- C29 H40 O3 -","- C29 H40 O3 -","- C116 H160 O12 -","4","1","QB0088","Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.; Adler, Stuart; Banz, William J.; Winters, Todd A.","<small>L</small>-Menthyl ester of highly estrogenic (‒)-(<i>Z</i>)-bisdehydrodoisynolic acid 3-methyl ether","Acta Crystallographica Section C","1999","55","4","IUC9900020","","10.1107/S0108270199099540","","","0.71069","MoKα","","0.186","0.034","","","","0.121","","","","","","0.958","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008435","14.671","0.004","15.135","0.002","9.328","0.002","90","","90","","90","","2071.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,5-dihydro-1,2,4-oxadiazole","Methyl (2S)-2-[(5R)-diphenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl]-3-phenylpropanoate","","- C24 H22 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","1","TA1227","Xu, Jiaxi; Li, Xiaoyu; Wang, Zhemin; Yang, Qingchuan; Yan, Chunhua","Methyl (2<i>S</i>)-2-[(5<i>R</i>)-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl]-3-phenylpropanoate","Acta Crystallographica Section C","1999","55","4","650","652","10.1107/S0108270198015492","","","0.71073","MoKα","","0.0762","0.0549","","","","0.1228","","","","","","1.096","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008439","9.2989","0.0007","14.057","0.001","3.6066","0.0003","90","","90","","90","","471.44","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-NRTZ","4-nitramino-1,2,4-triazole","","- C2 H3 N5 O2 -","- C2 H3 N5 O2 -","- C8 H12 N20 O8 -","4","1","AV1027","Vasiliev, Alexander D.; Astachov, Alexander M.; Stepanov, Rudolf S.; Kirik, Sergei D.","4-Nitramino-1,2,4-triazole","Acta Crystallographica Section C","1999","55","5","830","832","10.1107/S0108270199002243","","","1.5418","CuKα","","0.028","0.027","","","","0.073","","","","","","1.096","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008465","9.033","0.001","11.081","0.001","13.447","0.001","90","","90","","90","","1346","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(E)-3-(Benzoylmethylene)-N-methyl isoindolin-1-one","(E)-3-(Benzoylmethylene)-N-methyl isoindolin-1-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","HA1246","Guha, Subhadra; Mukherjee, Alok K.; Khan, M. Wahab; Kundu, Nitya G.","(<i>E</i>)-3-(Benzoylmethylene)-<i>N</i>-methylisoindolin-1-one","Acta Crystallographica Section C","1999","55","5","818","819","10.1107/S0108270198018393","","","0.71073","MoKα","","0.069","0.04","","0.104","0.096","","","","0.863","0.968","0.968","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008466","11.245","0.002","11.752","0.002","14.476","0.005","90","","90","","90","","1913","0.8","150","1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R, 2'R)-3-[(cis-2'-Cyclohexylmethylcyclopentyl)imino]-2-azabicyclo[2.2.2] octan-HBr","","- C19 H33 Br N2 -","- C19 H33 Br N2 -","- C76 H132 Br4 N8 -","4","1","JZ1314","Hartmann, Susanne; Weckert, Edgar; Frahm, August W.","(1'<i>R</i>,2'<i>R</i>)-3-[(<i>cis</i>-2'-Cyclohexylmethylcyclopentyl)imino]-2-azabicyclo[2.2.2]octane hydrobromide, a hypoglycaemic semicyclic amidine","Acta Crystallographica Section C","1999","55","5","806","808","10.1107/S0108270199000402","","","0.71069","MoKα","","0.0196","0.0195","","","","0.0512","","","","","","1.102","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008471","7.2842","0.0006","13.45","0.001","16.503","0.002","90","","90","","90","","1616.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","androst-4-ene-3,6,17-trione","Androst-4-ene-3,6,17-trione","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","KA1312","Addlagatta Anthony; Mariusz Jaskólski; Ashwini Nangia","Androst-4-ene-3,6,17-trione","Acta Crystallographica Section C","1999","55","5","787","789","10.1107/S0108270199000517","","","1.54178","CuKα","","0.042","0.035","","","","0.101","","","","","","1.01","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008472","8.181","0.002","9.036","0.002","8.392","0.001","90","","90","","90","","620.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H4 Ba O6 -","- C4 H4 Ba O6 -","- C16 H16 Ba4 O24 -","4","1","LN1069","González-Silgo, Cristina; González-Platas, Javier; Ruiz-Pérez, Catalina; López, Trinidad; Torres, Manuel","Barium <small>L</small>-tartrate","Acta Crystallographica Section C","1999","55","5","740","742","10.1107/S0108270198016709","","","0.71069","MoKα","","0.019","0.019","","0.048","","0.048","","","1.21","","","1.21","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008476","13.932","0.0008","21.2938","0.001","25.5613","0.0014","90","","90","","90","","7583.1","0.7","160","2","160","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","trans-chlorohydridobis(1,2-bis(dicyclohexylphosphino)ethane)rhodium(III) bis(catecholato)borate dichloromethane tetrasolvate","","- C68 H113 B Cl9 O4 P4 Rh -","- C68 H113 B Cl9 O4 P4 Rh -","- C272 H452 B4 Cl36 O16 P16 Rh4 -","4","1","LN1074","Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.","Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations","Acta Crystallographica Section C","1999","55","5","733","739","10.1107/S0108270199000323","","","0.71073","MoKα","","0.0993","0.0858","","","","0.1783","","","","","","1.381","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008490","7.145","0.004","32.419","0.009","5.142","0.002","90","","90","","90","","1191.1","0.9","298.2","","298.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,11-undecanediol","","","- C11 H24 O2 -","- C11 H24 O2 -","- C44 H96 O8 -","4","1","OB1004","Naotake Nakamura; Shigetaka Setodoi; Tatsuhiro Ikeya","1,11-Undecanediol","Acta Crystallographica Section C","1999","55","5","789","791","10.1107/S0108270198018253","","","1.5418","CuKα","","0.066","0.0499","","0.0771","0.07","","","","1.334","1.38","1.38","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008501","10.361","0.01","13.044","0.01","18.806","0.006","90","","90","","90","","2542","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25R)-3β-Bromo-5α-spirostan-6,23-dione","","- C27 H39 Br O4 -","- C27 H39 Br O4 -","- C108 H156 Br4 O16 -","4","1","QB0083","Angel Dago Morales; Santiago García-Granda; Martín Andrés Iglesias-Arteaga; Francisco Coll-Manchado","(25<i>R</i>)-3β-Bromo-5α-spirostan-6,23-dione","Acta Crystallographica Section C","1999","55","5","IUC9900042","","10.1107/S0108270199099436","","","0.71073","MoKα","","0.305","0.041","","","","0.107","","","","","","0.929","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008502","6.001","0.003","12.107","0.004","22.995","0.005","90","","90","","90","","1670.7","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S)-Ferrocenyl[methyl(1-phenyl-ethyl)amino]acetonitrile","","- C21 H22 Fe N2 -","- C21 H22 Fe N2 -","- C84 H88 Fe4 N8 -","4","1","QB0089","Howell, James A. S.; Humphries, Kristina; McArdle, Patrick; Cunningham, Desmond; Walsh, Martin; Daly, Pearl","(<i>S</i>,<i>S</i>)-Ferrocenyl[methyl(1-phenylethyl)amino]acetonitrile","Acta Crystallographica Section C","1999","55","5","IUC9900050","","10.1107/S0108270199099497","","","0.5","synchrotron","","0.032","0.029","","","","0.074","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008513","7.654","0.002","11.578","0.002","17.771","0.003","90","","90","","90","","1574.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Polimeric (Aqua-1κO)bis[(R,R)-tartrato-1κ^2^O^1^,O^2^:2κ^2^O^3^,O^4^] dicadmium(II) Trihydrate","","- C8 H16 Cd2 O16 -","- C8 H8 Cd2 O16 -","- C32 H32 Cd8 O64 -","4","1","SK1241","González-Silgo, Cristina; González-Platas, Javier; Ruiz-Pérez, Catalina; López, Trinidad; Torres, Manuel Eulalio","Polymeric aqua-1κ<i>O</i>-bis[μ-(<i>R</i>,<i>R</i>)-tartrato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^3^,<i>O</i>^4^]dicadmium(II) trihydrate","Acta Crystallographica Section C","1999","55","5","710","712","10.1107/S0108270199000542","","","0.71069","MoKα","","0.0285","0.028","","0.0717","","0.0717","","","1.204","","","1.204","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2008514","6.8228","0.0001","7.1672","0.0002","31.9396","0.0006","90","","90","","90","","1561.86","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Pipemidic Acid Hydrochloride","","- C14 H18 Cl N5 O3 -","- C14 H18 Cl N5 O3 -","- C56 H72 Cl4 N20 O12 -","4","1","SK1259","Hoong-Kun Fun; Kandasamy Chinnakali; Ibrahim Abdul Razak; Shu-zhong Zhan; Chuan-jiang Hu; Qingjin Meng","Pipemidic acid hydrochloride","Acta Crystallographica Section C","1999","55","5","766","768","10.1107/S0108270198018277","","","0.71073","MoKα","","0.055","0.049","","","","0.13","","","","","","1.118","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008521","21.205","0.004","37.941","0.008","12.227","0.002","90","","90","","90","","9837","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TNLP","Theonellapeptolide-Id","","- C70 H149 N13 O28 -","- C70 H125 N13 O27.65 -","- C280 H500 N52 O110.6 -","4","1","SX1064","Mitsunobu Doi; Toshimasa Ishida; Motomasa Kobayashi; Jeffrey R. Deschamps; Judith L. Flippen-Anderson","The highly solvated structure of theonellapeptolide Id, a tridecapeptide lactone from the Okinawa marine sponge <i>Theonella swinhoei</i>","Acta Crystallographica Section C","1999","55","5","796","798","10.1107/S0108270198014383","","","1.5418","CuKα","","0.136","0.113","","","","0.287","","","","","","1.02","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2008523","8.144","0.002","10.004","0.002","24.101","0.005","90","","90","","90","","1963.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","acetylated illustrol","3'-14-epoxy-4',15-dioxaandrost-5-en-3β-yl acetate","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","SX1075","Vencato, Ivo; Niero, Rivaldo; Montanari, João L.; Calixto, João B.; Sant'Ana, Antonio E. G.; Yunes, Rosendo A.","A new 14:15-seco-15-norpregnane derivative from <i>Mandevilla illustris</i> Woodson (Apocynaceae)","Acta Crystallographica Section C","1999","55","5","827","829","10.1107/S0108270199000529","","","0.71073","MoKα","","0.067","0.045","","","","0.143","","","","","","1.069","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008556","9.849","0.002","10.8","0.002","25.682","0.003","90","0.01","90","0.01","90","0.01","2731.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2^'^,3^'^,5^'^-Tri-O-Benzoylinosine","","- C31 H24 N4 O8 -","- C31 H24 N4 O8 -","- C124 H96 N16 O32 -","4","1","DE1094","S.Kolappan; T. Parthasarathy Seshadri","2',3',5'-Tri-<i>O</i>-benzoylinosine","Acta Crystallographica Section C","1999","55","6","986","987","10.1107/S0108270198014668","","","1.5418","CuKα","","0.0456","0.0327","","","","0.1167","","","","","","0.691","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008575","7.5238","0.0005","10.9972","0.0008","20.9169","0.0019","90","","90","","90","","1730.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,3S)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9H-purin-9-yl)oxolane","","- C18 H19 Cl N4 O2 -","- C18 H19 Cl N4 O2 -","- C72 H76 Cl4 N16 O8 -","4","1","GS1035","George Balayiannis; Ioannis Argiris; Dionissios Papaioannou; Constantin Kavounis","(2<i>S</i>,3<i>S</i>)- and (2<i>R</i>,3<i>S</i>)-2-[2-(benzyloxy)ethyl]-3-(6-chloro-9<i>H</i>-purin-9-yl)oxolane","Acta Crystallographica Section C","1999","55","6","1005","1008","10.1107/S0108270199002784","","","0.71069","MoKα","","0.105","0.053","","","","0.137","","","","","","1.027","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008577","6.88","0.0008","13.8033","0.0009","29.389","0.002","90","0.01","90","0.01","90","0.01","2791","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Olean-12-en[2,3-d]isoxazole-28-oic acid methyl ester","","- C32 H47 N O3 -","- C32 H47 N O3 -","- C128 H188 N4 O12 -","4","1","JZ1306","Gzella, Andrzej; Linkowska, Ewa; Zaprutko, Lucjusz; Wrzeciono, Urszula","Triterpenoide. XIV. [2,3-<i>d</i>]Isoxazoltriterpenderivate","Acta Crystallographica Section C","1999","55","6","1031","1034","10.1107/S010827019900013X","","","1.54178","CuKα","","0.0398","0.0353","","0.1034","0.0994","","","","1.035","1.036","1.036","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008585","9.003","0.005","12.699","0.003","20.522","0.008","90","","90","","90","","2346.3","1.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","melaniline","N,N' diphenyl guanidine","","- C13 H13 N3 -","- C13 H13 N3 -","- C104 H104 N24 -","8","2","NA1391","Paixão, J. A.; Matos Beja, A.; Pereira Silva, P. S.; Ramos Silva, M.; Alte da Veiga, L.","A new orthorhombic phase of <i>N</i>,<i>N</i>'-diphenylguanidine","Acta Crystallographica Section C","1999","55","6","1037","1040","10.1107/S0108270199002462","","","0.71073","MoKα","","0.0628","0.0364","","","","0.1094","","","","","","1.03","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008589","13.6977","0.0005","19.8307","0.0008","12.7594","0.0008","90","","90","","90","","3465.9","0.3","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1S,3R)-Carpropamide","","","- C15 H18 Cl3 N O -","- C15 H18 Cl3 N O -","- C120 H144 Cl24 N8 O8 -","8","2","NA1401","Koketsu, Mamoru; Kagabu, Shinzo; Matsuoka, Masashi","Absolute configuration of the active stereoisomer of new rice fungicide Carpropamid","Acta Crystallographica Section C","1999","55","6","1025","1027","10.1107/S0108270199002504","","","0.7107","MoKα","","0.0952","0.0552","","","","0.0671","","","","","","1.484","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008604","9.8412","0.0006","15.6366","0.0007","9.4044","0.0005","90","","90","","90","","1447.18","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6,7-dihydroxy-1-(2-methoxypropyl)-1,2,3,4-tetrahydroisoquinolinium chloride hydrate","","- C13 H22 Cl N O4 -","- C13 H22 Cl N O4 -","- C52 H88 Cl4 N4 O16 -","4","1","OS1043","Domagała, Małgorzata; Rybarczyk, Agnieszka J.; Olszak, Tomasz A.; Brzezińska, Elżbieta","X-ray investigations of potential β-blockers. IV","Acta Crystallographica Section C","1999","55","6","1003","1005","10.1107/S0108270199002383","","","1.54178","CuKα","","0.035","0.029","","","","0.08","","","","","","1.04","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008607","7.2691","0.0007","10.4214","0.0013","16.868","0.002","90","","90","","90","","1277.8","0.3","122","0.5","122","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-amino-3-methyl-1-butanol-(2S,3S)-hydrogen-tartrate monohydrate","","- C9 H21 N O8 -","- C9 H21 N O8 -","- C36 H84 N4 O32 -","4","1","OS1047","Bruun, Rikke Mattsson; Larsen, Sine","(<i>S</i>)-2-Amino-3-methyl-1-butanol (2<i>S</i>,3<i>S</i>)-hydrogen tartrate monohydrate","Acta Crystallographica Section C","1999","55","6","956","958","10.1107/S0108270199003042","","","1.54184","CuKα","","0.0262","0.0256","","","","0.0731","","","","","","1.077","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008614","11.046","0.001","12.545","0.001","13.624","0.001","90","","90","","90","","1887.9","0.3","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br4 -","- C17 H24 Br4 -","- C68 H96 Br16 -","4","1","QA0114","Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.","Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene","Acta Crystallographica Section C","1999","55","6","IUC9900055","","10.1107/S010827019909931X","","","0.71073","MoKα","","","0.041","","","0.071","","","","","1.65","1.65","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008615","11.018","0.001","12.278","0.001","13.299","0.001","90","","90","","90","","1799.1","0.3","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl4 -","- C17 H24 Cl4 -","- C68 H96 Cl16 -","4","1","QA0114","Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.","Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene","Acta Crystallographica Section C","1999","55","6","IUC9900055","","10.1107/S010827019909931X","","","0.71073","MoKα","","","0.048","","","0.131","","","","","1.484","1.484","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008616","9.599","0.001","11.922","0.001","13.517","0.001","90","","90","","90","","1546.9","0.2","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl2 -","- C16 H24 Cl2 -","- C64 H96 Cl8 -","4","1","QA0114","Auhmani, A.; Kossareva, E.; Lassaba, E.; Réglier, M.; Pierrot, M.; Benharref, A.","Cyclopropanation reactions on α-<i>cis</i>-himachalene and a β-himachalene","Acta Crystallographica Section C","1999","55","6","IUC9900055","","10.1107/S010827019909931X","","","0.71073","MoKα","","","0.063","","","0.134","","","","","1.469","1.469","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008617","7.153","0.001","11.035","0.002","26.824","0.004","90","","90","","90","","2117.3","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-di-p-methoxyphenyl ammonium alcohol-L-tartrate-water","","- C20 H27 N O10 -","- C20 H27 N O10 -","- C80 H108 N4 O40 -","4","1","QA0116","Jian, Liao; Chen, Daimo; Jiang, Yaozhong; Yu, Kaibei; Chan, Albert S. C.","[2-Hydroxy-(1<i>S</i>,2<i>R</i>)-1,2-bis(4-methoxyphenyl)ethyl]ammonium <small>L</small>-tartrate hydrate","Acta Crystallographica Section C","1999","55","6","IUC9900053","","10.1107/S0108270199099308","","","0.71073","MoKα","","0.067","0.036","","0.103","0.073","","","","0.826","0.973","0.973","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008626","5.91","0.001","11.21","0.002","15.961","0.002","90","","90","","90","","1057.4","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O2 P -","- C11 H15 O2 P -","- C44 H60 O8 P4 -","4","1","QB0096","Deng, Jingen; He, Ze; Yu, Kaibai; Mi, Aiqiao; Jiang, Yaozhong","(2<i>R</i>,<i>S</i>~P~)-2-Hydroxymethyl-1-phenylphospholane 1-oxide","Acta Crystallographica Section C","1999","55","6","IUC9900060","","10.1107/S0108270199099266","","","0.71073","MoKα","","0.035","0.03","","0.075","0.074","","","","0.984","1.035","1.035","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008634","7.888","0.001","8.643","0.001","29.832","0.001","90","","90","","90","","2033.8","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,6S,1'R)-3-(1-Naphth-1-yl-2-nitro-ethyl)-6-isopropyl-2,5- dimethoxy-3,6-dihydro-pyrazine","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","1.5418","CuKα","","0.0358","0.0352","","","","0.113","","","","","","0.968","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008636","8.514","0.001","9.301","0.001","20.119","0.002","90","","90","","90","","1593.2","0.3","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O4 -","- C14 H24 N2 O4 -","- C56 H96 N8 O16 -","4","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","0.71069","MoKα","","0.0481","0.0436","","","","0.121","","","","","","1.049","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008637","8.211","0.001","9.254","0.001","20.861","0.002","90","","90","","90","","1585.1","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,6S)-3-[(R)-Hydroxy-phenyl-methyl]-6-isopropyl-2,5-dimethoxy- 3,6-dihydro-pyrazine","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","SK1254","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 1. Compounds derived from <i>cyclo</i>(Gly-<small>L</small>-Val)","Acta Crystallographica Section C","1999","55","6","964","968","10.1107/S0108270199001304","","","0.71069","MoKα","","0.0518","0.0432","","0.1213","0.1147","","","","1.136","1.18","1.18","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008639","10.998","0.001","11.513","0.001","14.464","0.001","90","","90","","90","","1831.4","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,6S)-3,6-Dibenzyl-2,5-dimethoxy-3,6-dihydro-pyrazine","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.0514","0.0418","","0.1032","0.0971","","","","1.08","1.121","1.121","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008641","6.441","0.001","9.036","0.001","32.996","0.004","90","","90","","90","","1920.4","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,6S)-3-Benzyl-6-(cyclohexyl-methyl)-2,5-dimethoxy- 3,6-dihydro-pyrazine","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.1064","0.0626","","0.1584","0.1344","","","","1.046","1.167","1.167","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008642","6.86","0.001","16.461","0.001","20.386","0.002","90","","90","","90","","2302","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","SK1255","Bolte, Michael; Benecke, Bernd; Egert, Ernst","Bis-lactim ethers of cyclic dipeptides. 2. Benzyl-substituted compounds","Acta Crystallographica Section C","1999","55","6","968","973","10.1107/S010827019801645X","","","0.71069","MoKα","","0.0637","0.0429","","0.1078","0.0964","","","","1.032","1.112","1.112","","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008648","6.264","0.002","9.035","0.004","22.362","0.009","90","","90","","90","","1265.6","0.9","152","2","152","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-D-3,4-anhydro-1,2:5,6-di-O-isopropylidene-allo-inositol","","- C12 H18 O5 -","- C12 H18 O5 -","- C48 H72 O20 -","4","1","TA1231","Falshaw, Andrew; Gainsford, Graeme J.; Lensink, Cornelis","1-<small>D</small>-3,4-Anhydro-1,2:5,6-di-<i>O</i>-isopropylidene-<i>allo</i>-inositol","Acta Crystallographica Section C","1999","55","6","958","960","10.1107/S0108270199002607","","","0.71073","MoKα","","0.095","0.051","","0.093","0.081","","","","1.042","1.128","1.128","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008686","11.507","0.002","15.225","0.005","24.573","0.009","90","","90","","90","","4305","2","110","1","110","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-1-Amino-2-methoxycyclohexane-1-carboxamide hydrochloride 0.25 hydrate","","- C8 H17.5 Cl N2 O2.25 -","- C8 H17.5 Cl N2 O2.25 -","- C128 H280 Cl16 N32 O36 -","16","4","JZ1343","Pai Fondekar, Kamalesh; Volk, Franz-Josef; Weckert, Edgar; Frahm, August W.","(1<i>S</i>,2<i>R</i>)-1-Amino-2-methoxycyclohexane-1-carboxamide hydrochloride 0.25-hydrate","Acta Crystallographica Section C","1999","55","7","1167","1170","10.1107/S0108270199003522","","","0.71069","MoKα","","0.025","0.024","","","","0.063","","","","","","1.056","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008713","11.938","0.008","24.421","0.005","7.8395","0.0012","90","","90","","90","","2285.5","1.6","298.2","","298.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O4 -","- C25 H28 N2 O4 -","- C100 H112 N8 O16 -","4","1","QA0134","K. Vyas; K. Shashi Rekha; P. Rajender Kumar; S. Raju; M. R. Sarma; G. Om Reddy","A diketopiperazine derivative of quinapril","Acta Crystallographica Section C","1999","55","7","IUC9900077","","10.1107/S0108270199099187","","","1.5418","CuKα","","0.062","0.058","","0.077","","0.076","","","1.834","","","1.847","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008730","7.5028","0.0003","17.3288","0.0006","26.1306","0.0009","90","","90","","90","","3397.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Hydroxy-4-methyl-8-phenylthio-7,8,9,10-tetrahydrobenzo[h]coumarin","","- C20 H18 O3 S -","- C20 H18 O3 S -","- C160 H144 O24 S8 -","8","2","SK1273","Kandasamy Chinnakali; Kamaraj Sriraghavan; Hoong-Kun Fun; Vayalakkavoor T. Ramakrishnan","9-Hydroxy-4-methyl-8-phenylthio-7,8,9,10-tetrahydrobenzo[<i>h</i>]coumarin","Acta Crystallographica Section C","1999","55","7","1125","1127","10.1107/S0108270199002814","","","0.71073","MoKα","","0.111","0.065","","","","0.158","","","","","","1.132","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008751","7.066","0.003","14.723","0.008","18.219","0.006","90","","90","","90","","1895.4","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-diphenylguanidinium (+)-L-hydrogentartrate monohydrate","","- C17 H21 N3 O7 -","- C17 H21 N3 O7 -","- C68 H84 N12 O28 -","4","1","BM1310","Paixão, J. A.; Pereira Silva, P. S.; Matos Beja, A.; Ramos Silva, M.; de Matos Gomes, E.; Belsley, M.","<i>N</i>,<i>N</i>'-Diphenylguanidinium hydrogen (+)-<small>L</small>-tartrate monohydrate","Acta Crystallographica Section C","1999","55","8","1287","1290","10.1107/S0108270199005119","","","0.71073","MoKα","","0.044","0.032","","","","0.084","","","","","","1.057","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008755","7.765","0.001","9.692","0.002","18.855","0.003","90","","90","","90","","1419","0.4","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(6R,12R,14R)-(E,E)-12-Hydroxy-6,14-dimethyl-1,7-dioxa-3,9-cyclotetradecadiene- 2,8,11-trione","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","BM1328","Höller, Ulrich; Wright, Anthony D.; König, Gabriele M.; Jones, Peter G.","Colletoketol","Acta Crystallographica Section C","1999","55","8","1310","1313","10.1107/S0108270199005533","","","0.71073","MoKα","","0.0543","0.041","","","","0.103","","","","","","1.067","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008786","6.905","0.003","11.05","0.006","16.835","0.002","90","","90","","90","","1284.5","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","iodo(di-n-propyldithiocarbamato)selenium(II)","catena-μ-iodo-(di-n-propyldithiocarbamato)selenium(II)","","- C7 H14 I N S2 Se -","- C7 H14 I N S2 Se -","- C28 H56 I4 N4 S8 Se4 -","4","1","GD1008","S. Rajashree; G. Aravamudan; Kandasamy Sivakumar","The first mixed iodide‒dithiocarbamate complex of selenium(II): <i>catena</i>-poly[[(di-<i>n</i>-propyldithiocarbamato-<i>S</i>,<i>S</i>')selenium(II)]-μ-iodo]","Acta Crystallographica Section C","1999","55","8","1320","1322","10.1107/S0108270199003996","","","0.71069","MoKα","","0.051","0.035","","","","0.094","","","","","","1.092","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2008798","6.804","0.0008","10.0373","0.001","18.682","0.002","90","","90","","90","","1275.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","7-Deaza-2'-deoxyisoguanosine","","","- C11 H16 N4 O5 -","- C11 H16 N4 O5 -","- C44 H64 N16 O20 -","4","1","KA1322","Seela, Frank; Wei, Changfu; Reuter, Hans; Kastner, Guido","7-Deaza-2'-deoxyisoguanosine adopts the form of an N1—H,2-keto tautomer","Acta Crystallographica Section C","1999","55","8","1335","1337","10.1107/S0108270199005685","","","0.71073","MoKα","","0.0553","0.0423","","","","0.1024","","","","","","1.078","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008809","7.498","0.004","9.666","0.005","28.04","0.02","90","","90","","90","","2032","2","293","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(S)-8-Chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)imidazo [4,5,1-jk][1,4]benzodiazepinium-2(1H)-thione Bromide Methanol Solvate","","- C17 H25 Br Cl N3 O S -","- C17 H25 Br Cl N3 O S -","- C68 H100 Br4 Cl4 N12 O4 S4 -","4","1","NA1419","Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.","(<i>S</i>)-8-Chloro-5-methyl-6-(3-methylbut-2-enyl)-2-thioxo-1<i>H</i>-4,5,6,7-tetrahydroimidazo[4,5,1-<i>jk</i>][1,4]benzodiazepinium bromide methanol solvate","Acta Crystallographica Section C","1999","55","8","1322","1325","10.1107/S0108270199005892","","","0.71073","MoKα","","0.082","0.046","","0.108","","0.108","","","1.052","","","1.052","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2008818","7.8427","0.0012","10.2644","0.0013","16.961","0.002","90","","90","","90","","1365.4","0.3","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5,7-diphenyl[1,2,4]triazolo[1,5-a]pyrimidine","","- C17 H12 N4 -","- C17 H12 N4 -","- C68 H48 N16 -","4","1","OS1048","Surdykowski, Andrzej; Szłyk, Edward; Larsen, Sine","5,7-Diphenyl[1,2,4]triazolo[1,5-<i>a</i>]pyrimidine at 122K","Acta Crystallographica Section C","1999","55","8","1337","1339","10.1107/S0108270199004631","","","1.54184","CuKα","","0.0315","0.0311","","","","0.0809","","","","","","1.02","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008860","9.45","0.002","11.581","0.001","17.544","0.001","90","","90","","90","","1920","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,SR)-2-[1-(tert-Butoxycarbonyl)-pyrrolidinyl]-p-tolylsulfinylmethyl ketone","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C72 H100 N4 O16 S4 -","4","1","BK1464","Rubén A.Toscano; Alejandra Carrasco; Benjamín Ortiz; Rubén Sánchez-Obregón; Fernando Walle; Francisco Yuste","(2<i>S</i>,S<i>R</i>)-<i>tert</i>-Butyl 2-(<i>p</i>-tolylsulfinylacetyl)pyrrolidine-1-carboxylate","Acta Crystallographica Section C","1999","55","9","1605","1607","10.1107/S0108270199006253","","","0.71073","MoKα","","0.0897","0.0517","","","","0.1353","","","","","","1.013","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008886","10.82","0.03","9.98","0.02","53.93","0.02","90","","90","","90","","5824","2","68","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","D-BCCD","Deuterated Betaine Calcium Chloride Dihydrate","","- C5 Ca Cl2 D15 N O4 -","- C5 Ca Cl2 D15 N O4 -","- C100 Ca20 Cl40 D300 N20 O80 -","20","5","FG1472","Hernandez, Olivier; Kiat, Jean-Michel; Cousson, Alain; Paulus, Werner; Ezpeleta, Jose Maria; Zuniga, Francisco Javier","Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study","Acta Crystallographica Section C","1999","55","9","1463","1466","10.1107/S0108270198017508","","neutron","1.528","Neutron","","","0.123","","","0.154","","","","","1.03","1.03","","","","","has coordinates","189897","2020-10-21","18:00:00",""
"2008890","7.363","0.001","11.299","0.001","23.502","0.003","90","","90","","90","","1955.2","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-ketopinic acid","(+)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid","","- C10 H14 O3 -","- C10 H14 O3 -","- C80 H112 O24 -","8","2","FG1548","Lalancette, Roger A.; Coté, Marie L.; Smith III, William J.; Thompson, Hugh W.; Vanderhoff, Peggy A.; Brunskill, Andrew P. J.; Campana, Charles; Burshtein, Izya; Rose, John P.; (+)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid","(+)- and (±)-ketopinic acid: hydrogen-bonding patterns in a β-keto acid in its enantiomeric and racemic forms and enantiomeric disordering in the racemate","Acta Crystallographica Section C","1999","55","9","1600","1605","10.1107/S0108270199007428","","","0.71073","MoKα","","0.116","0.06","","","","0.13","","","","","","1.04","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008892","9.443","0.002","20.758","0.004","23.478","0.005","90","","90","","90","","4602.1","1.6","162","2","162","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(dicyclohexylammonium) (nitrilotriacetato)tributylstannate","","- C42 H81 N3 O6 Sn -","- C42 H81 N3 O6 Sn -","- C168 H324 N12 O24 Sn4 -","4","1","FG1549","Ng, Seik Weng","Bis(dicyclohexylammonium) tributyl(nitrilotriacetato)stannate","Acta Crystallographica Section C","1999","55","9","1447","1449","10.1107/S0108270199007295","","","0.71073","MoKα","","0.063","0.044","","","","0.1","","","","","","0.942","","","","has coordinates,has disorder","189898","2020-10-21","18:00:00",""
"2008897","6.9887","0.0002","10.7123","0.0002","20.4198","0.0004","90","","90","","90","","1528.73","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,5,6,7,8-Octahydro-3,3,6,6-tetramethylacridine-1,8-dione","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","FR1186","R. Sankaranarayanan; S. Shanmuga Sundara Raj; D. Velmurugan; Hoong-Kun Fun","1,2,3,4,5,6,7,8-Octahydro-3,3,6,6-tetramethylacridine-1,8-dione","Acta Crystallographica Section C","1999","55","9","1513","1514","10.1107/S0108270199006149","","","0.71073","MoKα","","0.078","0.051","","","","0.118","","","","","","1.094","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008898","8.843","0.003","14.085","0.005","15.638","0.005","90","","90","","90","","1947.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-(2S,7R,9R,10S)-2-Ethenyl-4,4,7- trimethyl-3-(toluene-4-sulfonyl)perhydro-1,3-benzoxazine","","- C20 H29 N O3 S -","- C20 H29 N O3 S -","- C80 H116 N4 O12 S4 -","4","1","FR1189","Rochon, Fernande D.; Breau, Livain","(+)-(2<i>S</i>,7<i>R</i>,9<i>R</i>,10<i>S</i>)-2-Ethenyl-4,4,7-trimethyl-3-(toluene-4-sulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2<i>H</i>-1,3-benzoxazine","Acta Crystallographica Section C","1999","55","9","1587","1589","10.1107/S0108270199006873","","","0.71073","MoKα","","0.138","0.053","","0.099","0.081","","","","1.046","1.286","1.286","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008914","10.713","0.003","13.569","0.004","28.27","0.009","90","","90","","90","","4109","2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N O5 S -","- C19 H31 N O5 S -","- C152 H248 N8 O40 S8 -","8","2","GS1037","Marchand, Patrice; Masson, Serge; Rachinel, Denis; Saint-Clair, Jean-François; Averbuch-Pouchot, Marie-Thérèse","2-(2,3:5,6-Di-<i>O</i>-isopropylidene-β-<small>D</small>-mannofuranosyl)-<i>N</i>,<i>N</i>-(pentamethylene)ethanethioamide","Acta Crystallographica Section C","1999","55","9","1533","1534","10.1107/S0108270199006459","","","0.7107","MoKα","","0.043","0.043","","0.0416","","0.0416","","","1.829","","","1.829","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008926","9.201","0.001","10.027","0.001","18.217","0.002","90","","90","","90","","1680.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-N,2-O-Carbonyl-3,5-O-isopropylidene-1-N(2'[R]-2'-methyl-3'-oxo-pentanoyl)- α-D-xylofuranosylamine'","","- C15 H21 N O7 -","- C15 H21 N O7 -","- C60 H84 N4 O28 -","4","1","JZ1359","Kopf, Jürgen; Lützen, Arne; Köll, Peter","1-<i>N</i>,2-<i>O</i>-Carbonyl-3,5-<i>O</i>-isopropylidene-1-<i>N</i>-[(2<i>R</i>)-2-methyl-3-oxopentanoyl]-α-<small>D</small>-xylofuranosylamine","Acta Crystallographica Section C","1999","55","9","1541","1542","10.1107/S0108270199007210","","","1.54178","CuKα","","0.039","0.036","","","","0.103","","","","","","1.075","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2008948","28.9379","0.0002","4.7032","0.0001","10.0011","0.0001","90","","90","","90","","1361.16","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-valine:D-methionine","","- C10 H22 N2 O4 S -","- C10 H22 N2 O4 S -","- C40 H88 N8 O16 S4 -","4","1","OS1063","Dalhus, Bjørn; Görbitz, Carl Henrik","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. III. The <small>L</small>-leucine and <small>L</small>-valine series","Acta Crystallographica Section C","1999","55","9","1547","1555","10.1107/S0108270199006162","","","0.71073","MoKα","","0.07","0.052","","0.117","","0.109","","","1.133","","","1.168","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008951","11.607","0.002","20.097","0.005","10.449","0.004","90","","90","","90","","2437.4","1.2","298.2","","298.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 N2 O3 -","- C24 H42 N2 O3 -","- C96 H168 N8 O12 -","4","1","QA0147","Moses Babu,J.; Ravindra Kumar, Y.; Vyas, K.; Om Reddy, G.; Rajan, S. T.; Reddy, M. S. N.","<i>N</i>-<i>tert</i>-Butyl-3-oxo-4-aza-5β,17β-androstane-17-carboxamide methanol solvate, a finasteride impurity","Acta Crystallographica Section C","1999","55","9","IUC9900105","","10.1107/S0108270199098868","","","1.5418","CuKα","","0.101","0.081","","0.12","","0.114","","","1.862","","","1.976","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2008982","7.7051","0.0002","14.8671","0.0003","22.2079","0.0005","90","","90","","90","","2543.97","0.1","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl{(R)-methyl 2,3-di-O-methyl-4,6-O-[(1S,3R)-(η^6^-3-trimethylsilyl phenyl)methylene]-α-D-glucopyranoside}chromium(0).","","- C22 H30 Cr O9 Si -","- C22 H30 Cr O9 Si -","- C88 H120 Cr4 O36 Si4 -","4","1","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.063","0.044","","","","0.091","","","","","","1.095","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008983","11.7885","0.0002","14.5002","0.0003","15.3639","0.0002","90","","90","","90","","2626.24","0.08","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl{(R)-methyl 2,3-di-O-methyl-4,6-O-[(1S,2R)-(η^6^-2-trimethylsilyl phenyl)methylene]-α-D-glucopyranoside}chromium(0).","","- C22 H30 Cr O9 Si -","- C22 H30 Cr O9 Si -","- C88 H120 Cr4 O36 Si4 -","4","1","TA1240","Rickard, Clifton E. F.; Singh, Yogendra; Woodgate, Paul D.; Zhao, Zhongde","Tricarbonylchromium complexes of four methyl 4,6-<i>O</i>-[(η^6^-phenyl)alkylidene]-α-<small>D</small>-glucopyranosides","Acta Crystallographica Section C","1999","55","9","1475","1479","10.1107/S0108270199007313","","","0.71073","MoKα","","0.041","0.036","","","","0.093","","","","","","1.026","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2008995","10.087","0.001","12.454","0.002","14.177","0.003","90","","90","","90","","1781","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Isopropyl-7,10-dimethoxy-3-phenyl-1-oxa-2,6,9-triaza-spiro[4.5]deca- 2,6,9-triene","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","BM1299","Nieger, Martin; Bolte, Michael","8-Isopropyl-7,10-dimethoxy-3-phenyl-1-oxa-2,6,9-triazaspiro[4.5]deca-2,6,9-triene","Acta Crystallographica Section C","1999","55","10","1666","1667","10.1107/S0108270198015923","","","0.71069","MoKα","","0.1","0.056","","","","0.117","","","","","","1.005","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009012","11.7761","0.0016","17.172","0.002","6.825","0.004","90","","90","","90","","1380.1","0.8","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-benzoyl-3,3-bis(methylamino)-2-nitrothioacrylamide","","- C12 H14 N4 O3 S -","- C12 H14 N4 O3 S -","- C48 H56 N16 O12 S4 -","4","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push‒pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.05","0.033","","","","0.09","","","","","","1.089","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009014","11.922","0.003","17.628","0.003","10.442","0.003","90","","90","","90","","2194.5","0.9","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-methyl N-benzoyl-3-(N-methyl-N-phenylamino)-2-nitro-3- (phenylamino)thioacrylimidate","","- C24 H22 N4 O3 S -","- C24 H22 N4 O3 S -","- C96 H88 N16 O12 S4 -","4","1","FG1546","Linden, Anthony; Moya Argilagos, Dally; Heimgartner, Heinz; García Trimiño, María I.; Macías Cabrera, Arturo","`Push‒pull' effects in nitroethenamines","Acta Crystallographica Section C","1999","55","10","1692","1698","10.1107/S0108270199006861","","","0.71069","MoKα","","0.05","0.035","","","","0.085","","","","","","1.023","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2009025","10.588","0.001","12.547","0.001","28.989","0.002","90","","90","","90","","3851.1","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-23,24-Dinor-3α,9α-epoxy-11-oxo-5β-cholan-22-oic Acid","","- C22 H32 O4 -","- C22 H32 O4 -","- C176 H256 O32 -","8","2","FR1199","Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(+)-23,24-Dinor-3α,9α-epoxy-11-oxo-5β-cholan-22-oic acid: mutual carboxyl-to-ether dimeric hydrogen bonding in a steroidal carboxy‒keto ether","Acta Crystallographica Section C","1999","55","10","1677","1680","10.1107/S0108270199006411","","","1.5418","CuKα","","0.062","0.051","","","","0.133","","","","","","1.03","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009027","6.8848","0.0008","13.7645","0.001","29.628","0.002","90","0.006","90","0.008","90","0.008","2807.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Formyl-3-hydroxy-18Hβ-olean-2,12-dien-28-oic acid methyl ester","","- C32 H48 O4 -","- C32 H48 O4 -","- C128 H192 O16 -","4","1","JZ1350","Gzella, Andrzej","Triterpenoide. XVI. 2-Formylderivate des Oleanonsäure-methylesters und <i>Allo</i>-betulons","Acta Crystallographica Section C","1999","55","10","1730","1733","10.1107/S0108270199007714","","","1.54178","CuKα","","0.0444","0.0336","","","","0.097","","","","","","1.05","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009049","12.63","0.003","14.938","0.003","9.276","0.001","90","","90","","90","","1750.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O4 Pt -","- C16 H26 N2 O4 Pt -","- C64 H104 N8 O16 Pt4 -","4","1","OB1013","Yuge, Hidetaka; Miyamoto, Takeshi Ken","Bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(ethylenediamine-<i>N</i>,<i>N</i>')platinum(II) trihydrate and bis(cyclohexane-1,3-dionato)-<i>C</i>^2^,<i>O</i>^1^-(<i>N</i>,<i>N</i>-dimethylethylenediamine-<i>N</i>,<i>N</i>')platinum(II)","Acta Crystallographica Section C","1999","55","10","1617","1620","10.1107/S0108270199008069","","","0.71069","MoKα","","0.036","0.029","","","","0.068","","","","","","1.021","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009052","7.4986","0.0015","11.574","0.002","20.032","0.004","90","","90","","90","","1738.6","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Hedychenone","4-[2-(3-furanyl)ethenyl]-4a,5,6,7,8,8a-hexahydro-3,4a,8,8-tetramethyl- 1(4H)-naphthalenone (Chem. Abs. name)","","- C20 H26 O2 -","- C20 H26 O2 -","- C80 H104 O8 -","4","1","QA0128","Liu, Xiu-Hua; Wang, Wenling; He, Zhen-Dan; Wang, Han-Qing; Yang, Chong-Ren; Chen, Bosen","Hedychenone from <i>Hedychium Yunnanense</i> Gagnep","Acta Crystallographica Section C","1999","55","10","IUC9900129","","10.1107/S0108270199098649","","","0.71073","MoKα","","0.066","0.059","","","","0.155","","","","","","1.106","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009066","6.0365","0.0002","17.3779","0.0005","22.679","0.0008","90","","90","","90","","2379.07","0.13","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,5-Bis[(ferrocenylmethyl)thio]-1,3-dithiole-2-thione","","- C25 H22 Fe2 S5 -","- C25 H22 Fe2 S5 -","- C100 H88 Fe8 S20 -","4","1","QA0176","Low, John Nicolson; Chohan, Zahid H.; Howie, R. Alan; Wardell, James L.","4,5-Bis(ferrocenylmethylthio)-1,3-dithiole-2-thione","Acta Crystallographica Section C","1999","55","10","IUC9900124","","10.1107/S0108270199098728","","","0.71073","MoKα","","0.063","0.044","","","","0.115","","","","","","1.17","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009073","9.0165","0.0004","11.3057","0.0003","13.4155","0.0006","90","","90","","90","","1367.55","0.09","150","2","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) methionine","","- C10 H15 N5 O4 S -","- C10 H15 N5 O4 S -","- C40 H60 N20 O16 S4 -","4","1","SK1287","Low, John N.; Godino, M. L.; López, Rafael; Pérez, Agustin; Melguizo, Manuel; Cobo, Justo","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)methionine","Acta Crystallographica Section C","1999","55","10","1727","1730","10.1107/S0108270199008495","","","0.71073","MoKα","","0.061","0.047","","","","0.128","","","","","","1.208","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009080","7.994","0.006","8.371","0.007","25.14","0.02","90","","90","","90","","1682","2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl3 N -","- C17 H18 Cl3 N -","- C68 H72 Cl12 N4 -","4","1","SX1083","Caruso, Francesco; Besmer, Angela; Rossi, Miriam","The absolute configuration of sertraline (Zoloft) hydrochloride","Acta Crystallographica Section C","1999","55","10","1712","1714","10.1107/S0108270199008343","","","0.71073","MoKα","","","0.058","","","0.049","","","","","","","1.391","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009083","25.869","0.008","12.494","0.004","6.198","0.002","90","","90","","90","","2003.2","1.1","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(6'R)‒6'‒Methyl‒2',5'‒dioxo‒(17R)spiro[11β‒hydroxy-androst‒4‒en‒ 3‒one‒17,3'‒[1,4]‒dioxane]","","- C23 H30 O6 -","- C23 H30 O6 -","- C92 H120 O24 -","4","1","BK1456","Asiloé J. Mora; Belkis M. Ramírez; Gerzon Delgado; Roy Little","The 17-spiro lactide of cortienic acid: a probe for studying the active sites of steroidal receptors","Acta Crystallographica Section C","1999","55","11","1870","1873","10.1107/S0108270199008008","","","0.71069","MoKα","","0.0674","0.048","","","","0.1542","","","","","","1.151","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009102","9.124","0.004","7.792","0.0018","13.059","0.004","90","","90","","90","","928.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","silver iododiphosphate","","","- Ag5 I O7 P2 -","- Ag5 I O7 P2 -","- Ag20 I4 O28 P8 -","4","1","BR1248","Adams, Stefan; Preusser, Andrea","Silver-ion conduction pathways in Ag~5~IP~2~O~7~","Acta Crystallographica Section C","1999","55","11","1741","1743","10.1107/S0108270199009634","","","0.71073","MoKα","","0.028","0.025","","","","0.063","","","","","","1.118","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009105","13.0824","0.0019","18.808","0.003","29.608","0.005","90","","90","","90","","7285","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R,R)-Jacobsen's Catalyst","(1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butyl-salicylidene) manganese(III) chloride: A Jacobsen's Catalyst","","- C36 H52 Cl Mn N2 O2 -","- C36 H52 Cl Mn N2 O2 -","- C288 H416 Cl8 Mn8 N16 O16 -","8","2","CF1320","Yoon, Jae Woong; Yoon, Tae-Sung; Lee, Soon Won; Shin, Whanchul","(1<i>R</i>,2<i>R</i>)-(‒)-[Bis(3,5-di-<i>tert</i>-butylsalicylidene)-1,2-cyclohexanediamine]chloromanganese(III), an (<i>R</i>,<i>R</i>)-Jacobsen catalyst","Acta Crystallographica Section C","1999","55","11","1766","1769","10.1107/S0108270199009397","","","0.71073","MoKα","","0.065","0.048","","","","0.138","","","","","","1.029","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009114","6.2452","0.0005","7.869","0.0006","24.151","0.0014","90","","90","","90","","1186.86","0.15","297","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C48 H72 N8 O12 -","4","1","DA1097","Billodeaux, Damon R.; Fronczek, Frank R.; Dürüst, Yaşar","2,6-Dimethylspiro[1-oxa-2,5-diazabicyclo[3.3.0]octane-3,1'-cyclohexane]-4,6-dione","Acta Crystallographica Section C","1999","55","11","1943","1945","10.1107/S0108270199010082","","","1.54184","CuKα","","0.036","0.034","","","","0.106","","","","","","1.063","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009131","11.2968","0.0004","11.8091","0.0007","12.8835","0.001","90","","90","","90","","1718.72","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","7-Chloro-(S)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C15 H20 Cl N3 O2 S -","- C15 H20 Cl N3 O2 S -","- C60 H80 Cl4 N12 O8 S4 -","4","1","GS1050","Dupont, Léon; de Tullio, Pascal; Khelili, Smail; Somers, Fabian; Delarge, Jacques; Pirotte, Bernard","7-Chloro-(<i>R</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(<i>S</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","11","1945","1947","10.1107/S0108270199010069","","","1.5418","CuKα","","0.0533","0.0402","","","","0.1118","","","","","","1.035","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009132","11.2963","0.0008","11.8026","0.0011","12.8831","0.0011","90","","90","","90","","1717.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","7-Chloro-(R)-3-[1-(cyclohexyl)ethylamino]-4H-1,2,4-benzothiadiazine 1,1-dioxide","","- C15 H20 Cl N3 O2 S -","- C15 H20 Cl N3 O2 S -","- C60 H80 Cl4 N12 O8 S4 -","4","1","GS1050","Dupont, Léon; de Tullio, Pascal; Khelili, Smail; Somers, Fabian; Delarge, Jacques; Pirotte, Bernard","7-Chloro-(<i>R</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide and 7-chloro-(<i>S</i>)-3-[1-(cyclohexyl)ethylamino]-4<i>H</i>-1,2,4-benzothiadiazine 1,1-dioxide","Acta Crystallographica Section C","1999","55","11","1945","1947","10.1107/S0108270199010069","","","1.5418","CuKα","","0.0482","0.0354","","","","0.098","","","","","","0.988","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009134","7.236","0.003","12.764","0.004","31.892","0.004","90","","90","","90","","2945.6","1.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-deacetylsalannin","3-deacetylsalannin","","- C32 H42 O8 -","- C32 H42 O8 -","- C128 H168 O32 -","4","1","HA1256","V. Kabaleeswaran; S. S. Rajan; Geetha Gopalakrishnan; T. R. Govindachari","Salannin and 3-deacetylsalannin","Acta Crystallographica Section C","1999","55","11","1952","1955","10.1107/S010827019900880X","","","1.5418","CuKα","","0.05","0.044","","","","0.134","","","","","","1.079","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009142","8.762","0.001","9.596","0.002","16.363","0.003","90","","90","","90","","1375.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-hydroxy-3-hydroxymethyl-9-methyl-6-methyleneperhydroazuleno[4,5-b]furan- 2,8-dione","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","JZ1363","González-Platas, Javier; Ruiz-Pérez, Catalina; González, Antonio G.; Bermejo, Jaime; Medjroubi, Kamel","4β,15-Dihydro-3-dehydrosolstitialin A","Acta Crystallographica Section C","1999","55","11","1837","1839","10.1107/S010827019900918X","","","0.71073","MoKα","","0.045","0.034","","","","0.098","","","","","","1.031","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009144","5.826","0.001","17.925","0.004","17.949","0.004","90","","90","","90","","1874.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 Cl5 N2 Sb -","- C8 H24 Cl5 N2 Sb -","- C32 H96 Cl20 N8 Sb4 -","4","1","KA1330","Bujak, Maciej; Zaleski, Jacek","Phase transition in bis(ethyldimethylammonium) pentachloroantimonate(III)","Acta Crystallographica Section C","1999","55","11","1775","1778","10.1107/S0108270199009464","","","0.71073","MoKα","","0.04","0.03","","","","0.079","","","","","","1.121","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009146","7.242","0.0014","10.862","0.002","14.2846","0.0016","90","","90","","90","","1123.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-Aza-7-deaza-2'-deoxyadenosine","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","KA1335","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","The anomers of 8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","1999","55","11","1947","1950","10.1107/S010827019901015X","","","0.71073","MoKα","","0.035","0.033","","","","0.088","","","","","","1.065","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009147","5.869","0.0006","10.8869","0.0013","17.5477","0.0014","90","","90","","90","","1121.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(2'-deoxy-α-D-erythro-pentofuranosyl)-8-aza-7-deazaadenine","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","KA1335","Seela, Frank; Zulauf, Matthias; Reuter, Hans; Kastner, Guido","The anomers of 8-aza-7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","1999","55","11","1947","1950","10.1107/S010827019901015X","","","0.71073","MoKα","","0.046","0.041","","","","0.11","","","","","","1.065","","","","has coordinates,has Fobs","201955","2020-10-21","18:00:00",""
"2009152","12.783","0.004","16.645","0.003","9.834","0.003","90","","90","","90","","2092.4","1","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","endo-{6,6'-Diethoxy-2,2'-[(R)-propane-1,2-diylbis(nitrilomethylidene)] diphenolato-O,N,N',O'}oxovanadium(IV)","","","- C21 H24 N2 O5 V -","- C21 H24 N2 O5 V -","- C84 H96 N8 O20 V4 -","4","1","OA1089","Hoshina, Gakuse; Tsuchimoto, Masanobu; Ohba, Shigeru","<i>endo</i>-{6,6'-Diethoxy-2,2'-[(<i>R</i>)-propane-1,2-diylbis(nitrilomethylidene)]diphenolato-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}oxovanadium(IV)","Acta Crystallographica Section C","1999","55","11","1812","1813","10.1107/S0108270199008847","","","0.71073","MoKα","","0.067","0.048","","","","0.12","","","","","","1.25","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009207","6.484","0.0011","15.208","0.0011","28.047","0.003","90","","90","","90","","2765.7","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","[3S-(3a,3aα,5aβ,9aα,9bβ)]-9a-Acetyl-3a,4,5,5a,9a,9b-hexahydro -3,5a-dimethyl-2H-furo[3,2-h][1]benzopyran-2,8(3H)-dione,","","- C15 H18 O5 -","- C15 H18 O5 -","- C120 H144 O40 -","8","2","SX1090","Bates, R. B.; Malik, B. L.; Paknikar, S. K.; McClure, K. J.; Carducci, M. D.","An unexpected oxidation product of α-santonin","Acta Crystallographica Section C","1999","55","11","1881","1882","10.1107/S010827019901046X","","","0.71073","MoKα","","0.14","0.048","","","","0.118","","","","","","1.004","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009223","7.2362","0.0018","7.2831","0.0015","29.526","0.006","90","","90","","90","","1556.1","0.6","178","2","178","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(1-adamantyl)-1,1,3,3-tetraoxo-1,3,2-benzodithiazole","","- C16 H19 N O4 S2 -","- C16 H19 N O4 S2 -","- C64 H76 N4 O16 S8 -","4","1","BM1364","Pröhl, Hans-Heinrich; Näveke, Martina; Jones, Peter G.; Blaschette, Armand","Polysulfonylamines. CXXI. Three <i>N</i>,<i>N</i>-disulfonylated 1-adamantylamines","Acta Crystallographica Section C","1999","55","12","2080","2084","10.1107/S0108270199011646","","","0.71073","MoKα","","0.0378","0.0326","","","","0.0869","","","","","","1.032","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009256","6.4731","0.0001","11.4104","0.0001","20.4092","0.0003","90","","90","","90","","1507.44","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-trimethylsilyl-3,6-dimethyl-3,6-diaza-1,4,5-tricarbaheptaborane(10)","","- C10 H30 B2 N2 Si -","- C10 H30 B2 N2 Si -","- C40 H120 B8 N8 Si4 -","4","1","FR1209","Zheng, Chong; Hosmane, Narayan S.","3,3,6,6-Tetramethyl-1-trimethylsilyl-3,6-diaza-1,4,5-tricarbaheptaborane(10)","Acta Crystallographica Section C","1999","55","12","2107","2109","10.1107/S0108270199011294","","","0.71073","MoKα","","0.046","0.043","","","","0.115","","","","","","1.243","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009269","8.542","0.0005","11.8734","0.0007","15.0938","0.0005","90","","90","","90","","1530.85","0.14","291","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Mo O2 -","- C17 H16 Mo O2 -","- C68 H64 Mo4 O8 -","4","1","GD1047","Alexander Kuhl; Farrugia, Louis J.; Philip J. Kocieński","Absolute configuration of <i>exo</i>-<i>syn</i>-<i>syn</i>-dicarbonyl(η^5^-cyclopentadienyl)[(1,2,3-η)-(1<i>R</i>,2<i>S</i>,3<i>S</i>)-1-phenylbut-2-en-1-yl]molybdenum(II)","Acta Crystallographica Section C","1999","55","12","2041","2043","10.1107/S0108270199010197","","","0.71073","MoKα","","","0.026","","","","0.07","","","","","","1.056","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009290","11.3083","0.0012","13.595","0.0012","17.971","0.0014","90","","90","","90","","2762.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Oxo-18β-olean-12-en-28-oic acid methyl ester","","- C31 H48 O3 -","- C31 H48 O3 -","- C124 H192 O12 -","4","1","JZ1361","Gzella, Andrzej","Triterpenoide. XVIII. Kristallstrukturen von 2-Oxo- und 3-Oxo-18β-olean-12-en-28-säure-methylestern","Acta Crystallographica Section C","1999","55","12","2153","2156","10.1107/S0108270199011567","","","1.54178","CuKα","","0.038","0.031","","","","0.09","","","","","","1.058","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009291","6.8765","0.0012","13.607","0.0014","29.118","0.003","90","","90","","90","","2724.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Oxo-18β-olean-12-en-28-oic acid methyl ester","","- C31 H48 O3 -","- C31 H48 O3 -","- C124 H192 O12 -","4","1","JZ1361","Gzella, Andrzej","Triterpenoide. XVIII. Kristallstrukturen von 2-Oxo- und 3-Oxo-18β-olean-12-en-28-säure-methylestern","Acta Crystallographica Section C","1999","55","12","2153","2156","10.1107/S0108270199011567","","","1.54178","CuKα","","0.048","0.037","","","","0.111","","","","","","1.045","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009295","7.3308","0.0012","12.733","0.003","37.471","0.007","90","","90","","90","","3497.7","1.2","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-4b,8,8,10a-tetramethyl- 1,2-phenanthrenedicarboxaldehyde","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","KA1332","Puliti, Raffaella; Mattia, Carlo Andrea","<i>ent</i>-Isocopal-12-ene-15,16-dialdehyde from <i>Spongia officinalis</i>","Acta Crystallographica Section C","1999","55","12","2160","2163","10.1107/S0108270199011233","","","1.54056","CuKα","","0.0614","0.0436","","","","0.0494","","","","","","0.918","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009307","5.4835","0.0004","12.3418","0.0008","29.4245","0.0019","90","","90","","90","","1991.3","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanyl-L-phenylalanine‒2-propanol solvate (1/2)","","- C18 H32 N2 O5 -","- C18 H32 N2 O5 -","- C72 H128 N8 O20 -","4","1","OS1078","Görbitz, Carl Henrik","<small>L</small>-Alanyl-<small>L</small>-phenylalanine‒2-propanol (1/2) (α-form), <small>L</small>-valyl-<small>L</small>-phenylalanine‒2-propanol (1/1) and <small>L</small>-leucyl-<small>L</small>-phenylalanine‒2-propanol (1/1) (β-form)","Acta Crystallographica Section C","1999","55","12","2171","2177","10.1107/S0108270199011415","","","0.71073","MoKα","","0.113","0.076","","","","0.203","","","","","","1.096","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009314","7.7633","0.0008","22.049","0.002","13.0223","0.0019","90","","90","","90","","2229.1","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-Dioxo-7-(D-arabino-1,2,3,4-tetraacetyloxibutyl)-1-methyl- 1,2,3,4-tetrahydropteridine","","- C19 H22 N4 O10 -","- C19 H22 N4 O10 -","- C76 H88 N16 O40 -","4","1","QA0188","Low, John Nicolson; Ferguson, George; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo","7-(<small>D</small>-<i>arabino</i>-1,2,3,4-Tetraacetoxybutyl)-1-methyl-1,2,3,4-tetrahydropteridine-2,4-dione","Acta Crystallographica Section C","1999","55","12","IUC9900163","","10.1107/S0108270199098297","","","0.71073","MoKα","","0.122","0.06","","","","0.117","","","","","","0.939","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009315","14.3951","0.0011","8.9771","0.0009","19.052","0.002","90","","90","","90","","2462","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Amino-5-N-acetyl-N-(β-D-3,4,6-tri-O-acetylglucopyranosyl)amino- 2,4-dioxo-1,2,3,4-tetrahydro-3-methylpyrimidine, water solvent","","- C19 H28 N4 O12 -","- C19 H28 N4 O12 -","- C76 H112 N16 O48 -","4","1","QA0191","Low, John Nicolson; Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Ferguson, George","Two polyacetylated 6-amino-5-[<i>N</i>-(β-<small>D</small>-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones","Acta Crystallographica Section C","1999","55","12","IUC9900164","","10.1107/S0108270199098285","","","0.71073","MoKα","","0.088","0.054","","","","0.148","","","","","","1.019","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009316","9.0315","0.0008","17.0918","0.0013","18.1487","0.0013","90","","90","","90","","2801.5","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Acetamido-5-N-acetyl-N-(β-D-2,3,4,6-tetra-O-acetylglucopyranosyl)amino- 2,4-dioxo-1,2,3,4-tetrahydro-3-methyl-pyrimidine","","- C23 H30 N4 O13 -","- C23 H30 N4 O13 -","- C92 H120 N16 O52 -","4","1","QA0191","Low, John Nicolson; Cobo, Justo; Molina, Sebastián; Sánchez, Adolfo; Nogueras, Manuel; Ferguson, George","Two polyacetylated 6-amino-5-[<i>N</i>-(β-<small>D</small>-glucopyranosyl)amino]-3-methylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones","Acta Crystallographica Section C","1999","55","12","IUC9900164","","10.1107/S0108270199098285","","","0.71073","MoKα","","0.074","0.039","","","","0.099","","","","","","0.986","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2009322","9.139","0.001","13.522","0.002","17.737","0.002","90","","90","","90","","2191.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(methylcyclopentadienyl)(piperidino-N)ytterbium piperidinate","","- C22 H35 N2 Yb -","- C22 H35 N2 Yb -","- C88 H140 N8 Yb4 -","4","1","QB0132","Wang, Yaorong; Yao, Yingming; Shen, Qi; Yu, Kaibei","Bis(η^5^-methylcyclopentadienyl)(piperidine-<i>N</i>)(piperidinido-<i>N</i>)ytterbium","Acta Crystallographica Section C","1999","55","12","IUC9900159","","10.1107/S0108270199098376","","","0.71073","MoKα","","0.029","0.024","","","","0.055","","","","","","0.96","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009374","12.281","0.001","17.844","0.001","8.076","0.001","90","","90","","90","","1769.8","0.3","295","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1β-tert-butoxy-4β-chloro-7aβ-methyl-9-thiomethoxy-1,2,3,4,5,6,7,7a- octahydro-3a,5-ethano-3aH-inden-8-one","","- C17 H27 Cl O2 S -","- C17 H27 Cl O2 S -","- C68 H108 Cl4 O8 S4 -","4","1","CR1062","Brock, Carolyn Pratt; Richardson, S. K.; Sabol, M. R.; Watt, David S.; Syed, Ashfaquzzaman","An octahydro-3a,6-methanoazulen-5-one resulting from an intramolecular Friedel‒Crafts acylation","Acta Crystallographica Section C","1994","50","1","106","108","10.1107/S0108270193006675","","","1.5418","CuKα","","","0.042","","","0.057","","","","","3.33","3.33","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2009377","7.295","0.003","25.653","0.005","6.321","0.002","90","","90","","90","","1182.9","0.7","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","DU1028","Wouters, J.; Perpete, P.; Norberg, B.; Evrard, G.; Durant, F.","Structure analysis of monoamine oxidase inhibitors, (<i>R</i>)-5-hydroxymethyl- and (<i>R</i>)-5-methoxymethyl-3-(4-methoxyphenyl)oxazolidin-2-one","Acta Crystallographica Section C","1994","50","1","97","100","10.1107/S010827019300589X","","","0.71073","MoKα","","","0.0478","","","0.0545","","","","","1.22","1.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009409","10.383","0.002","12.906","0.003","13.327","0.003","90","","90","","90","","1785.9","0.7","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl2 Nb -","- C18 H26 Cl2 Nb -","- C72 H104 Cl8 Nb4 -","4","1","MU1065","McCamley, Andrew; Miller, Thomas J.; Clegg, William","Bis(η^5^-<i>tert</i>-butylcyclopentadienyl)dichloroniobium(IV)","Acta Crystallographica Section C","1994","50","1","33","36","10.1107/S0108270193006961","","","0.71073","MoKα","","0.0641","0.0324","","0.0831","0.0731","","","","1.053","1.07","1.07","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009415","13.679","0.004","15.182","0.004","15.39","0.003","90","","90","","90","","3196.1","1.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-2-(1,2:5,6-di-O-isopropylidène-α-D-allofuranos-3-yl) dibenzyl-tert- butyle glycinate","","- C32 H43 N O8 -","- C32 H43 N O8 -","- C128 H172 N4 O32 -","4","1","PA1055","Chiaroni, Angèle; Riche, Claude; Bouifraden, S.; Ittobane, N.; Lavergne, J.-P.; Viallefont, P.","Structure du <small>L</small>-2-(1,2:5,6-di-<i>O</i>-isopropylidène-α-<small>D</small>-allofuranos-3-yl)dibenzylglycinate de <i>tert</i>-butyle, C~32~H~43~NO~8~","Acta Crystallographica Section C","1994","50","1","110","112","10.1107/S0108270193004512","","","1.5418","CuKα","","","0.049","","","0.069","","","","","1.55","1.55","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2009421","11.004","0.003","13.482","0.004","19.935","0.002","90","","90","","90","","2957.5","1.2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cyclo(L-Thr-D-Val-L-Pro-Sar-N-MeVal-L-Val-O~Thr~)","","- C24 H46 Cl N5 O8 -","- C24 H46 Cl N5 O8 -","- C96 H184 Cl4 N20 O32 -","4","1","SH1066","Pohl, Ehmke; Sheldrick, George M.; Fischer, Stefan; Lackner, Helmut","Structure of <i>cyclo</i>-(<small>L</small>-threonyl-<small>D</small>-valyl-<small>L</small>-prolyl-sarcosyl-<i>N</i>-methyl-<small>L</small>-valyl-O~Thr~) at 153 K","Acta Crystallographica Section C","1994","50","1","100","103","10.1107/S0108270193007334","","","0.71073","MoKα","","0.0372","0.0334","","","","","","","1.064","1.065","1.065","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009434","12.021","0.001","40.218","0.005","6.171","0.001","90","","90","","90","","2983.4","0.7","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(22R)-22-methylchola-5,23-diene-3β-oxy-tert-butyldimethylsilane","","- C31 H54 O Si -","- C31 H54 O Si -","- C124 H216 O4 Si4 -","4","1","AS1074","Uchida, Akira; Ohashi, Yuji; Arai, Masayuki; Nakamura, Eiichi","(22<i>R</i>)-3β-<i>tert</i>-Butyldimethylsilyloxy-22-methylchola-5,23-diene","Acta Crystallographica Section C","1994","50","2","259","260","10.1107/S0108270193008261","","","1.54184","CuKα","","","0.068","","","0.108","","","","","0.723","0.723","","","","","has coordinates","190526","2020-10-21","18:00:00",""
"2009437","18.914","0.004","14.345","0.001","8.622","0.001","90","","90","","90","","2339.3","0.6","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dimethyl 9-[(S)-(-)-N-acetylalanyloxy]methyl- 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","","- C26 H25 N O7 -","- C26 H25 N O7 -","- C104 H100 N4 O28 -","4","1","BR1047","Pokkuluri, Phani Raj; Trotter, James","Dimethyl 9-[(<i>S</i>)-(‒)-<i>N</i>-acetylalanyloxy]methyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1994","50","2","276","278","10.1107/S0108270193008881","","","1.5418","CopperKα","","0.087","0.038","","0.051","0.048","","","","","1.39","1.39","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2009440","7.845","0.001","8.16","0.001","16.84","0.001","90","","90","","90","","1078","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3,5-Triethylperhydro-1,3,5-triazine-2,4,6-trione","","- C9 H15 N3 O3 -","- C9 H15 N3 O3 -","- C36 H60 N12 O12 -","4","1","CD1063","Hornish, Michael J.; Watt, William","1,3,5-Triethyl-1,3,5-triazine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione, C~9~H~15~N~3~O~3~","Acta Crystallographica Section C","1994","50","2","263","265","10.1107/S0108270193008212","","","1.5418","CuKα","","0.044","0.035","","0.081","0.078","","","","1.57","1.57","1.57","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009461","15.829","0.004","10.29","0.003","8.529","0.005","90","","90","","90","","1389.2","1","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","1","KA1033","Karolak-Wojciechowska, J.; Kieć-Kononowicz, K.","5,5-Diphenyl-1<i>H</i>,2<i>H</i>,5<i>H</i>-imidazo[1,2-<i>a</i>]imidazole-3,6-dione","Acta Crystallographica Section C","1994","50","2","300","302","10.1107/S0108270193008029","","","1.54178","CuKα","","","0.032","","","0.036","","","","","1.17","1.17","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009462","6.691","0.001","15.657","0.001","42.657","","90","","90","","90","","4468.8","0.7","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C26 H36 O2 -","- C26 H36 O2 -","- C208 H288 O16 -","8","2","KA1038","Stanković, S.; Miljković, D.; Medić-Mijačević, L.; Gaši, K.; Courseille, C.","17α-Benzyl-3β,17β-dihydroxy-5-androstene","Acta Crystallographica Section C","1994","50","2","312","314","10.1107/S0108270193007681","","","1.54247","CuKα","","","0.051","","","0.046","","","","","5.66","5.66","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009483","20.81","0.01","15.03","0.01","13.88","0.01","90","","90","","90","","4341","5","296","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C32 H62 B2 F8 N4 O8 -","- C32 H62 B2 F8 N4 O8 -","- C128 H248 B8 F32 N16 O32 -","4","1","OH1033","Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T.","HBF~4~ and HBr salts of new chiral cyclens","Acta Crystallographica Section C","1994","50","2","306","312","10.1107/S0108270193007139","","","0.71073","MoKα","","","0.108","","","0.096","","","","","3.04","3.04","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2009485","17.243","0.003","17.873","0.002","14.156","0.002","90","","90","","90","","4362.7","1.1","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C44 H62 Br2 N4 -","- C44 H62 Br2 N4 -","- C176 H248 Br8 N16 -","4","1","OH1033","Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T.","HBF~4~ and HBr salts of new chiral cyclens","Acta Crystallographica Section C","1994","50","2","306","312","10.1107/S0108270193007139","","","0.71073","MoKα","","","0.099","","","0.112","","","","","5.83","5.83","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2009503","6.502","0.008","9.682","0.005","28.629","0.003","90","","90","","90","","1802","2","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C16 H28 N4 O3 -","- C16 H28 N4 O3 -","- C64 H112 N16 O12 -","4","1","VJ1000","Di Blasio, B.; Nastri, F.; Saviano, M.; Benedetti, E.; Crisma, M.; Toniolo, C.; Johnson, R.L.","Structure of the tripeptide amide H-<small>L</small>-Pro-<small>L</small>-Leu-<small>L</small>-Pro-NH~2~, a dopamine receptor modulating agent","Acta Crystallographica Section C","1994","50","2","250","252","10.1107/S0108270193006808","","","1.5418","CuKα","","","0.042","","","0.043","","","","","0.672","0.672","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009525","8.1","0.002","31.729","0.005","7.848","0.003","90","","90","","90","","2017","1","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dimethyl 9-phenyl-1,4-dihydro-1,4-ethenoanthracene-11,12-dicarboxylate","","- C26 H20 O4 -","- C26 H20 O4 -","- C104 H80 O16 -","4","1","BR1057","Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James","Dimethyl 9-phenyl-1,4-dihydro-1,4-ethenoanthracene-11,12-dicarboxylate","Acta Crystallographica Section C","1994","50","3","415","417","10.1107/S0108270193010054","","","1.5418","CopperKα","","0.061","0.04","","0.057","0.056","","","","","1.81","1.81","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009532","7.974","0.004","11.96","0.004","16.482","0.008","90","","90","","90","","1571.9","1.2","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","HA1064","Beddoes, R.L.; Gorman, A.A.; Prescott, A.L.","Structure of neostrychnine. An enamine with a bridgehead nitrogen which undergoes efficient chemical reaction with singlet oxygen","Acta Crystallographica Section C","1994","50","3","447","450","10.1107/S0108270193008807","","","0.71069","MoKα","","","0.068","","","0.044","","","","","1.787","1.787","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009535","8.693","0.0005","12.3768","0.0009","12.4624","0.0009","90","","90","","90","","1340.85","0.16","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C13 H20 Br N O2 -","- C13 H20 Br N O2 -","- C52 H80 Br4 N4 O8 -","4","1","HH1076","Garcia, J.G.; Fronczek, F.R.; Gandour, R.D.","2-Hydroxy-4,4-dimethyl-2-(2-methylphenyl)morpholinium bromide, C~13~H~20~NO~2~^+^.Br^{-^}","Acta Crystallographica Section C","1994","50","3","430","432","10.1107/S0108270193006559","","","0.71073","MoKα","","","0.037","","","0.037","","","","","1.549","1.549","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009542","11.903","0.002","20.019","0.004","21.64","0.003","90","","90","","90","","5156.5","1.5","291","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C52 H51 F15 N P Pt -","- C52 H45 F15 N P Pt -","- C208 H180 F60 N4 P4 Pt4 -","4","1","HU1049","Ara, I.; Milagros, T.","Tetra-<i>n</i>-butylammonium tris(perfluorophenyl)(triphenylphosphine)platinate(II)","Acta Crystallographica Section C","1994","50","3","375","377","10.1107/S0108270193008649","","","0.71069","MoKα","","","0.0391","","","0.0411","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009543","11.364","0.002","16.452","0.003","18.609","0.004","90","","90","","90","","3479.1","1.2","290","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C168 H160 N16 -","8","2","HU1054","Alcock, N.W.; Blacker, N.C.; Errington, W.; Wallbridge, M.G.H.","<i>N</i>^1^,<i>N</i>^2^-Di(<i>p</i>-tolyl)benzamidine, C~21~H~20~N~2~","Acta Crystallographica Section C","1994","50","3","456","458","10.1107/S0108270193009035","","","0.71073","MoKα","","","0.051","","","0.07","","","","","1.16","1.16","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009550","9.3226","0.0006","14.301","0.001","15.042","0.001","90","","90","","90","","2005.4","0.2","293","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C16 H22 Cl N7 O6 -","- C16 H22 Cl N7 O6 -","- C64 H88 Cl4 N28 O24 -","4","1","MU1060","Golič, L.; Sinur, A.; Stanovnik, B.; Žličar, M.","Two substituted pyrazolo[1',2':1,2]pyrazolo[4,3-<i>d</i>]tetrazolo[1,5-<i>b</i>]pyridazines","Acta Crystallographica Section C","1994","50","3","466","469","10.1107/S0108270193007838","","","0.71069","MoKα","","","0.032","","","0.04","","","","","0.584","0.584","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009552","9.157","0.001","12.264","0.001","18.163","0.002","90","","90","","90","","2039.7","0.4","292","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C24 H21 N3 O -","- C24 H21 N3 O -","- C96 H84 N12 O4 -","4","1","NA1035","Bruno, G.; Nicolo, F.; Foti, F.; Grassi, G.; Risitano, F.; Munno, G.De.","Synthesis of <i>N</i>-benzoyl-1,3-imidazole oximes. Structure of C~24~H~21~N~3~O","Acta Crystallographica Section C","1994","50","3","428","430","10.1107/S0108270193007085","","","0.71073","MoKα","","","0.048","","","0.056","","","","","0.98","0.98","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009570","9.997","0.002","10.347","0.002","12.68","0.001","90","","90","","90","","1311.6","0.4","105","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H22 N2 O5 -","- C10 H22 N2 O5 -","- C40 H88 N8 O20 -","4","1","AB0303","Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.","Structures of the choline ion in different crystal surroundings","Acta Crystallographica Section C","1994","50","4","617","623","10.1107/S0108270193007589","","","0.71073","MoKα","","","0.041","","","0.043","","","","","0.696","0.696","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009573","7.951","0.002","10.6133","0.0009","23.421","0.004","90","","90","","90","","1976.4","0.6","105","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 N2 O6 -","- C18 H32 N2 O6 -","- C72 H128 N8 O24 -","4","1","AB0303","Frydenvang, K.; Hjelvang, G.; Jensen, B.; Martinho Do Rosario, S.M.","Structures of the choline ion in different crystal surroundings","Acta Crystallographica Section C","1994","50","4","617","623","10.1107/S0108270193007589","","","0.71073","MoKα","","","0.031","","","0.039","","","","","0.96","0.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009584","8.491","0.004","14.679","0.004","16.827","0.003","90","","90","","90","","2097.3","1.2","298","3","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C12 H30 Cl2 N4 Ni O8 -","- C12 H30 Cl2 N4 Ni O8 -","- C48 H120 Cl8 N16 Ni4 O32 -","4","1","AS1060","Tahirov, T.H.; Lu, T.-H.; Shu, K.; Chung, C.-S.","[(4<i>RS</i>,7<i>SR</i>,11<i>RS</i>)-4,12-Dimethyl-4,7,11-triazatridecylamine-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) diperchlorate","Acta Crystallographica Section C","1994","50","4","516","518","10.1107/S0108270193009795","","","0.71073","MoKα","","","0.055","","","0.054","","","","","0.59","0.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009600","10.349","0.001","16.62","0.001","8.9933","0.0006","90","","90","","90","","1546.9","0.2","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","12-Methyl 9-hydroxymethyl-9,10-dihydro-9,10-ethenoanthracene- 11,12-dicarboxylate lactone OR Methyl 3,5-dihydro-3-oxo-1H-5,9b[1',2']benzenonaphtho[1,2-c]furan- 4-carboxylate","","- C20 H14 O4 -","- C20 H14 O4 -","- C80 H56 O16 -","4","1","CD1060","Chen, Jianxin; Pokkuluri, Phani Raj; Scheffer, John R.; Trotter, James","12-Methyl-9-hydroxymethyl-9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate lactone","Acta Crystallographica Section C","1994","50","4","576","578","10.1107/S0108270193010820","","","1.5418","CuKα","","0.049","0.038","","0.056","0.055","","","","","1.77","1.77","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009609","10.302","0.001","13.96","0.001","16.64","0.001","90","","90","","90","","2393.1","0.3","296","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C20 H20 Cl2 Cu N4 O8 -","- C20 H20 Cl2 Cu N4 O8 -","- C80 H80 Cl8 Cu4 N16 O32 -","4","1","DU1052","Agnus, Y.; Labarelle, M.; Louis, R.; Metz, B.","Absolute configuration of di(perchlorato-<i>O</i>)tetra(pyridine-<i>N</i>)copper(II), [Cu(ClO~4~)~2~(py)~4~]","Acta Crystallographica Section C","1994","50","4","536","538","10.1107/S0108270193009813","","","1.5418","CuKα","","","0.048","","","0.047","","","","","1.13","1.13","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009615","7.925","0.001","9.281","0.002","20.918","0.003","90","","90","","90","","1538.6","0.4","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","HA1052","Pattabhi, V.; Banumathi, S.; Goverdhan, M.; Padma, S.","Cycloaddition products of tricyclo[6.2.1.0^2,7^]undeca-2(7),4,9-triene-3,6-dione","Acta Crystallographica Section C","1994","50","4","594","597","10.1107/S0108270193007814","","","1.5418","CuKα","","","0.068","","","0.099","","","","","3.25","3.25","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009619","6.192","0.001","13.99","0.001","16.883","0.002","90","","90","","90","","1462.5","0.3","292","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","HH1077","Czerwinski, E.W.; Cao, Z.; Liehr, J.","3,8α-Dihydroxyestra-1,3,5(10),6-tetraen-17-one","Acta Crystallographica Section C","1994","50","4","601","603","10.1107/S0108270193007036","","","1.5418","CuKα","","","0.067","","","0.066","","","","","1.006","1.006","","","","","has coordinates","190596","2020-10-21","18:00:00",""
"2009620","8.231","0.004","8.792","0.005","23.6","0.02","90","","90","","90","","1707.9","1.9","297","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C64 H88 O36 -","4","1","HL1037","Lee, C.K.; Koh, L.L.","2,2'-Di-<i>O</i>-acetyl-3,6;3',6'-dianhydro-4,4'-dideoxy-α,α-trehalose","Acta Crystallographica Section C","1994","50","4","597","601","10.1107/S0108270193008534","","","0.71069","MoKα","","","0.0597","","","0.0537","","","","","1.31","1.31","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009623","16.382","0.008","16.796","0.007","10.926","0.003","90","","90","","90","","3006","2","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C31 H32 Cl2 O2 P2 Pt -","- C31 H32 Cl2 O2 P2 Pt -","- C124 H128 Cl8 O8 P8 Pt4 -","4","1","HU1050","Ganter, C.; Orpen, A.G.; Bergamini, P.; Costa, E.","A new orthorhombic crystal form of dichloro[(‒)-(<i>R</i>,<i>R</i>)-2,2-dimethyl-4,5-bis(diphenylphosphinomethyl)-1,3-dioxolane-<i>P</i>,<i>P</i>']platinum, [{(<i>R</i>,<i>R</i>)-diop}PtCl~2~]","Acta Crystallographica Section C","1994","50","4","507","510","10.1107/S0108270193010170","","","0.71073","MoKα","","","0.063","","","0.056","","","","","1.19","1.19","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009636","6.89","0.002","15.798","0.004","27.201","0.007","90","","90","","90","","2960.8","1.4","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N3 O4 -","- C16 H11 N3 O4 -","- C128 H88 N24 O32 -","8","2","NA1042","Özbey, S.; Kendi̇, E.; Hocaoglu, N.; Uyar, T.; Mak, T. C. W.; Cascarano, G. L.","2-Methyl-2-(4-nitrophenylazo)-1,3-indandione, C~16~H~11~N~3~O~4~","Acta Crystallographica, Section C: Crystal Structure Communications","1994","50","4","629","631","10.1107/S0108270193009862","","","0.7107","MoKα","","","0.043","","","0.039","","","","","1.5","1.5","","","","","has coordinates","291314","2024-04-22","13:06:42",""
"2009642","9.711","0.002","9.928","0.002","13.765","0.002","90","","90","","90","","1327.1","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrobromide","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C52 H72 Br4 N4 O8 -","4","1","NA1065","Peeters, O. M.; Blaton, N. M.; De Ranter, C. J.","Absolute configuration of (I) (‒)-(3<i>S</i>,4<i>R</i>)- and (II) (‒)-(3<i>S</i>,4<i>S</i>)-3-methyl-4-phenyl-4-piperidinecarboxylic acid hydrobromide","Acta Crystallographica Section C","1994","50","4","560","562","10.1107/S0108270193011801","","","1.54184","CuKα","","0.0347","0.0293","","0.0407","0.0369","","","","","1.67","1.67","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009647","7.827","0.002","23.364","0.002","5.843","0.002","90","","90","","90","","1068.5","0.5","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C13 H9 F O2 -","- C13 H9 F O2 -","- C52 H36 F4 O8 -","4","1","OH1041","Shibakami, M.; Tamura, M.; Arimura, T.; Kurosawa, S.; Sekiya, A.","Phenyl 3-fluorobenzoate","Acta Crystallographica Section C","1994","50","4","592","594","10.1107/S0108270193008625","","","1.5418","CuKα","","","0.043","","","0.047","","","","","3.45","3.45","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009650","7.335","0.001","9.277","0.001","13.211","0.002","90","","90","","90","","899","0.2","291","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","PA1054","Ouvrard, N.; Baldy, A.; Rodriguez, J.; Santelli, M.; Feneau-Dupont, J.; Declercq, J.-P.","Stereochemistry of the Carroll rearrangement: structure of (+)-(2<i>R</i>)-2-[(1<i>R</i>,5<i>R</i>)-5-methyl-2-oxocyclopentyl]propionic acid, C~9~H~14~O~3~","Acta Crystallographica Section C","1994","50","4","624","625","10.1107/S0108270193010297","","","1.5418","CuKα","","","0.057","","","0.066","","","","","0.4","0.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009682","11.252","0.001","19.435","0.001","7.88","0.001","90","","90","","90","","1723.2","0.3","297","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16(R)-(-)-kaura-2,12-dione","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","AS1084","Kentaro Yamaguchi; Yoshiteru Ida; Yohko Satoh; Yoshijiroh Nakajima; Junzo Shoji","A kaurane derivative isolated from <i>Alisma orientale</i>","Acta Crystallographica Section C","1994","50","5","738","740","10.1107/S010827019301220X","","","1.5405","CuKα~1~","","","0.061","","","0.06","","","","","1.7","1.7","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2009687","5.8414","0.0005","7.9263","0.001","23.776","0.004","90","","90","","90","","1100.8","0.2","295","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C52 H48 O12 -","4","1","CR1081","Prince, P.; Fronczek, F.R.; Gandour, R.D.","2-Acetoxy-7-methoxynaphthalene","Acta Crystallographica Section C","1994","50","5","797","798","10.1107/S0108270193010194","","","1.54184","CuKα","","","0.032","","","0.048","","","","","3.513","3.513","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009688","11.203","0.005","14.206","0.003","7.41","0.001","90","","90","","90","","1179.3","0.6","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","hydrazinecarboxamide, 1R-(+)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylene-","","- C11 H19 N3 O -","- C11 H19 N3 O -","- C44 H76 N12 O4 -","4","1","CR1088","Robinson, Paul D.; Meyers, Cal Y.; Kolb, Vera M.","Intermolecular hydrogen-bonded structure of (1<i>R</i>)-(+)-camphor semicarbazone","Acta Crystallographica Section C","1994","50","5","732","734","10.1107/S010827019301008X","","","0.71069","MoKα","","","0.036","","","0.042","","","","","1.53","1.53","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009694","10.6499","0.0004","11.7953","0.0005","13.3206","0.0008","90","","90","","90","","1673.32","0.14","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","triphenylphosphoranylideneammonium Azide","","- C18 H17 N4 P -","- C18 H17 N4 P -","- C72 H68 N16 P4 -","4","1","HA1080","Clegg, William; Christine Bleasdale","Triphenylphosphoranylideneammonium azide, [Ph~3~P=NH~2~][N~3~]","Acta Crystallographica Section C","1994","50","5","740","742","10.1107/S0108270193011096","","","0.71073","MoKα","","0.0591","0.0449","","0.1085","0.0938","","","","1.078","1.048","1.048","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009695","6.2525","0.0004","12.7576","0.0003","22.4174","0.0005","90","","90","","90","","1788.17","0.13","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","HH1009","Gupta, V. K.; Rajnikant, ?; Goswami, K. N.; Mazumdar, S. K.; Bhutani, K. K.","11-Ketoprogesterone","Acta Crystallographica Section C","1994","50","5","798","801","10.1107/S0108270193006596","","","1.5418","CuKα","","","0.064","","","0.074","","","","","0.98","0.98","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2009715","10.532","0.002","13.812","0.003","16.048","0.003","90","","90","","90","","2334.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C104 H136 N8 O16 -","4","1","KA1057","Noltemeyer, Mathias; Tietze, Lutz F.; Wölfling, János; Schneider, Gyula","A <small>D</small>-homotestosterone derivative","Acta Crystallographica Section C","1994","50","5","726","727","10.1107/S0108270193012569","","","0.71069","MoKα","","0.0482","0.0419","","0.1254","0.114","","","","1.017","0.995","0.995","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009735","8.011","0.006","12.205","0.01","22.336","0.013","90","","90","","90","","2184","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","lithium bis[methyl α-L-rhamnopyranosid-(2,3)-ato(2-)]cuprate(II) tetrahydrate","","- C14 H32 Cu Li2 O14 -","- C14 H32 Cu Li2 O14 -","- C56 H128 Cu4 Li8 O56 -","4","1","SH1071","Klaassen, Markus; Klüfers, Peter","Polyol metal complexes. VI. Structure of lithium bis[methyl α-<small>L</small>-rhamnopyranosid(2,3)-ato(2‒)]cuprate(II) tetrahydrate","Acta Crystallographica Section C","1994","50","5","686","688","10.1107/S0108270193010522","","","0.71069","MoKα","","0.0397","0.0288","","0.0681","0.0643","","","","1.031","1.054","1.054","","","","","has coordinates","199607","2020-10-21","18:00:00",""
"2009743","6.648","0.003","20.473","0.005","6.4","0.003","90","","90","","90","","871.1","0.6","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-deoxynojirimycin hydrochloride","1,5-Dideoxy-1,5-iminium-glucitol chloride","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C24 H56 Cl4 N4 O16 -","4","1","SH1087","Linden, Anthony; Hoos, Roland; Vasella, Andrea","1-Deoxynojirimycin hydrochloride","Acta Crystallographica Section C","1994","50","5","746","749","10.1107/S0108270193012417","","","0.71069","MoKα","","0.0285","0.0233","","0.0256","0.025","","","","","1.583","1.583","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009747","6.612","0.001","7.685","0.001","17.191","0.002","90","","90","","90","","873.5","0.2","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 O7 -","- C7 H12 O7 -","- C28 H48 O28 -","4","1","AB1093","Søtofte, I.","<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-Heptono- (I) and 2,7-ditosyl-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-heptono-1,4-lactone (II)","Acta Crystallographica Section C","1994","50","6","938","941","10.1107/S0108270193010212","","","0.71073","MoKα","","","0.039","","","0.04","","","","","1.27","1.27","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009748","5.781","0.002","19.526","0.003","20.538","0.004","90","","90","","90","","2318.3","1","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C21 H24 O11 S2 -","- C21 H24 O11 S2 -","- C84 H96 O44 S8 -","4","1","AB1093","Søtofte, I.","<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-Heptono- (I) and 2,7-ditosyl-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-heptono-1,4-lactone (II)","Acta Crystallographica Section C","1994","50","6","938","941","10.1107/S0108270193010212","","","0.71073","MoKα","","","0.071","","","0.046","","","","","1.37","1.37","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009749","16.548","0.007","14.854","0.008","5.377","0.009","90","","90","","90","","1322","2","120","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O10 S2 -","- C8 H14 O10 S2 -","- C32 H56 O40 S8 -","4","1","AB1094","Søtofte, I.","2,6-Dimesyl-<small>D</small>-<i>manno</i>-hexono- (III), 2,6-dimesyl-<small>D</small>-<i>allo</i>-hexono- (IV) and 2,6-dimesyl-<small>D</small>-<i>gulo</i>-hexono-1,4-lactone (V)","Acta Crystallographica Section C","1994","50","6","941","945","10.1107/S0108270193010224","","","1.5418","CuKα","","","0.081","","","0.106","","","","","1.23","1.23","","","","","has coordinates","198513","2020-10-21","18:00:00",""
"2009754","7.22","0.002","9.528","0.002","32.344","0.007","90","","90","","90","","2225","0.9","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","AL1065","Woudenberg, R. H.; Koningsveld, H. V.; Maat, L.","Structure of a Diels‒Alder adduct at a 5,7-disubstituted thebaine derivative","Acta Crystallographica Section C","1994","50","6","913","915","10.1107/S0108270193010777","","","0.71073","MoKα","","","5.6","","","5.3","","","","","3.6","3.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009764","8.238","0.002","8.968","0.002","25.165","0.005","90","","90","","90","","1859.1","0.7","296","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C10 H11 N O -","- C10 H11 N O -","- C80 H88 N8 O8 -","8","2","CR1055","Pollagi, T.P.; Geib, S.J.; Hopkins, M.D.","2-Methyl-4-(4-pyridyl)-3-butyn-2-ol: a two-dimensional hydrogen-bond network","Acta Crystallographica Section C","1994","50","6","910","913","10.1107/S0108270193010455","","","1.54178","CuKα","","","0.0664","","","0.0971","","","","","1.11","1.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009768","7.197","0.001","8.27","0.001","22.684","0.001","90","","90","","90","","1350.1","0.3","291","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C12 H19 B N O2 P -","- C12 H19 B N O2 P -","- C48 H76 B4 N4 O8 P4 -","4","1","DU1059","Brunel, J.M.; Buono, G.; Baldy, A.; Feneau-Dupont, J.; Declercq, J.P.","A (2<i>R</i>,5<i>S</i>)-2-<i>o</i>-anisyl-3-oxa-1-aza-2-phosphabicyclo[3.3.0]octane‒borane complex","Acta Crystallographica Section C","1994","50","6","954","955","10.1107/S0108270193011606","","","1.5418","CuKα","","","0.054","","","0.057","","","","","0.6","0.6","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009778","6.0541","0.0005","13.4943","0.0013","17.603","0.002","90","","90","","90","","1438.1","0.2","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","triphenylmethylamine","Triphenylmethylamine","","- C19 H17 N -","- C19 H17 N -","- C76 H68 N4 -","4","1","HA1086","Glidewell, Christopher; Ferguson, George","Molecules isoelectronic with triphenylmethanol: diphenyl(4-pyridyl)methanol and triphenylmethylamine","Acta Crystallographica Section C","1994","50","6","924","928","10.1107/S0108270193014209","","","0.71067","MoKα","","0.053","0.029","","0.046","0.044","","","","","1.19","1.19","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009784","6.562","0.001","13.583","0.003","22.488","0.004","90","","90","","90","","2004.4","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-methoxy-16,16-dimethyl-5α-andrstan-17-one","","- C22 H36 O2 -","- C22 H36 O2 -","- C88 H144 O8 -","4","1","KA1056","Wölfling, János; Schneider, Gyula; Noltemeyer, Mathias; Tietze, Lutz F.","3-Methoxy-16,16-dimethyl-5α-androstan-17-one","Acta Crystallographica Section C","1994","50","6","964","965","10.1107/S0108270193012557","","","0.71072","MoKα","","0.0445","0.0363","","0.1105","0.096","","","","1.037","0.968","0.968","","","","","has coordinates","201955","2020-10-21","18:00:00",""
"2009785","4.733","0.001","17.305","0.001","19.243","0.001","90","","90","","90","","1576.1","0.4","293","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","","","","","- C9 H13.5 Br N3 Na O9.25 P -","- C9 H11 Br N3 Na O11 P -","- C36 H44 Br4 N12 Na4 O44 P4 -","4","1","LI1008","Mande, S.S.; Seshadri, T.P.; Viswamitra, M.A.","Effects of halogen substitution in nucleic acid components. Structure of sodium 5-bromocytidine 5'-phosphate hydrate","Acta Crystallographica Section C","1994","50","6","876","879","10.1107/S010827019300945X","","","1.5418","Cu","","","0.044","","","0.049","","","","","0.62","0.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009788","5.9826","0.0009","10.1528","0.0007","21.785","0.003","90","","90","","90","","1323.2","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Ferrocenyl-2,2-methylpropan-1-ol","1-Ferrocenyl-2,2-methylpropan-1-ol #93-28cg C~5~H~5~-Fe-C~5~H~4~-CH(OH)-t-Bu","","- C15 H20 Fe O -","- C15 H20 Fe O -","- C60 H80 Fe4 O4 -","4","1","LI1086","Li, Yiwei; Ferguson, George; Glidewell, Christopher; Zakaria, Choudhury M.","Hydrogen bonding in ferrocene derivatives: structures of 1-ferrocenyl-2,2-dimethylpropan-1-ol and 2,2'-(1,1'-ferrocenediyl)di(propan-2-ol)","Acta Crystallographica Section C","1994","50","6","857","861","10.1107/S0108270193013654","","","0.71067","MoKα","","0.056","0.032","","0.046","0.04","","","","","0.99","0.99","","","","","has coordinates,has disorder","190523","2020-10-21","18:00:00",""
"2009808","11.201","0.003","40.167","0.002","11.099","0.003","90","","90","","90","","4993.6","1.9","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,2'3,3'-tetra-O-acetyl-6,6'-dichloro-4,4',6,6'-tetradeoxy-α,α-trehalose","2,3-di-O-acetyl-6-chloro-4,6-dideoxy-α-D-glucopyranosyl 2,3-di-O-acetyl-6- chloro-4,6-dideoxy-α-D-glucopyranoside","","- C20 H28 Cl2 O11 -","- C20 H28 Cl2 O11 -","- C160 H224 Cl16 O88 -","8","2","PA1081","Lee, C. Kuan; Koh, Lip Lin; Xu, Yan; Linden, Anthony","2,2',3,3'-Tetra-<i>O</i>-acetyl-6,6'-dichloro-4,4',6,6'-tetradeoxy-α,α-trehalose","Acta Crystallographica Section C","1994","50","6","915","919","10.1107/S0108270193012910","","","0.71069","MoKα","","0.1167","0.0516","","0.0536","0.0479","","","","","2.125","2.125","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009838","9.57","0.002","10.613","0.002","28.92","0.006","90","","90","","90","","2937.3","1","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl N,N-diallyl-O-tert-butyltyrosyl-α-aminoisobutryl-α- aminoisobutryate","","- C28 H43 N3 O5 -","- C28 H43 N3 O5 -","- C112 H172 N12 O20 -","4","1","BK1005","Flippen-Anderson, Judith L.; George, Clifford; Deschamps, Jeffrey","Methyl <i>N</i>,<i>N</i>-diallyl-<i>O</i>-<i>tert</i>-butyltyrosyl-α-aminoisobutyryl-α-aminoisobutyrate, C~28~H~43~N~3~O~5~","Acta Crystallographica Section C","1994","50","7","1095","1097","10.1107/S0108270193012387","","","1.54178","CuKα","","0.0738","0.054","","0.1379","0.1241","","","","1.038","1.12","1.12","","","","","has coordinates,has disorder","176759","2020-10-21","18:00:00",""
"2009885","6.866","0.001","13.492","0.001","26.334","0.002","90","","90","","90","","2439.5","0.4","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C28 H28 N2 O5 -","- C28 H28 N2 O5 -","- C112 H112 N8 O20 -","4","1","NA1057","Vitagliano, L.; Zagart, A.; Capasso, S.; Salvadori, S.; Baldoni, G.","<i>N</i>-(<i>N</i>-Benzyloxycarbonyl-<small>L</small>-1,2,3,4-tetrahydroisoquinol-3-ylcarbonyl)-<small>L</small>-phenylalanine methyl ester, <i>Z</i>-<small>L</small>-Tic-<small>L</small>-Phe-OMe","Acta Crystallographica Section C","1994","50","7","1135","1138","10.1107/S0108270193011862","","","1.5418","CuKα","","","0.053","","","0.061","","","","","0.91","0.91","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009889","5.717","0.001","20.077","0.005","4.806","0.001","90","","90","","90","","551.6","0.2","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C6 H4 F2 O -","- C6 H4 F2 O -","- C24 H16 F8 O4 -","4","1","OH1048","Shibakami, M.; Sekiya, A.","3,5-Difluorophenol","Acta Crystallographica Section C","1994","50","7","1152","1154","10.1107/S0108270193012752","","","1.5418","CuKα","","","0.04","","","0.055","","","","","1.44","1.44","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009926","8.283","0.003","15.706","0.003","16.99","0.003","90","","90","","90","","2210.3","1","295","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","pyridinechloro-(bis[1-(2-N,N-dimethylaminomethyl)phenyl])vanadium(III)","","- C23 H29 Cl N3 V -","- C23 H29 Cl N3 V -","- C92 H116 Cl4 N12 V4 -","4","1","AB1185","Spek, Anthony L.; Edema, Jilles J.H.; Gambarotta, Sandro","Chlorobis{2-[(dimethylamino)methyl]phenyl-<i>C</i>^1^,<i>N</i>}(pyridine)vanadium(III)","Acta Crystallographica Section C","1994","50","8","1209","1211","10.1107/S0108270194004257","","","0.71073","MoKα","","","0.046","","","0.034","","","","","1.19","1.19","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009938","6.988","0.005","17.76","0.008","15.929","0.007","90","","90","","90","","1976.9","1.9","294","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","chloro-cis-diammine(guanosine-N^7^)platinum(II) nitrate","","- C10 H23 Cl N8 O10 Pt -","- C10 H23 Cl N8 O10 Pt -","- C40 H92 Cl4 N32 O40 Pt4 -","4","1","CD1054","Georgia M. Arvanitis; Dan Gibson; Thomas J. Emge; Helen M. Berman","Platinum(II) triamine complexes: <i>cis</i>-[PtCl(NH~3~)~2~(C~10~H~13~N~5~O~5~)]NO~3~.2H~2~O and [PtCl(C~2~H~8~N~2~)(C~4~H~6~N~2~)]NO~3~","Acta Crystallographica Section C","1994","50","8","1217","1220","10.1107/S010827019301073X","","","0.7173","MoKα","","0.073","0.048","","0.052","0.045","","","","1.173","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009940","5.0862","0.0005","8.0018","0.0008","26.067","0.003","90","","90","","90","","1060.89","0.19","287","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C10 H12 N2 O5 -","- C10 H12 N2 O5 -","- C40 H48 N8 O20 -","4","1","CD1065","Pugazhenthi, U.; Delbaere, L. T. J.; Kumar, S. V. P.; Stuart, A. L.; Gupta, S. V.","2',3'-Didehydro-2',3'-dideoxy-5-hydroxymethyluridine","Acta Crystallographica Section C","1994","50","8","1262","1265","10.1107/S0108270193013381","","","1.5418","CuKα","","","0.04","","","0.039","","","","","3.489","3.489","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009949","7.554","0.002","13.523","0.002","25.524","0.004","90","","90","","90","","2607.3","0.9","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C30 H48 O2 -","- C30 H48 O2 -","- C120 H192 O8 -","4","1","HA1063","Jong, T.-T.; Chen, C.-T.","Roburic acid, a triterpene 3,4-seco acid","Acta Crystallographica Section C","1994","50","8","1326","1328","10.1107/S0108270193013228","","","0.71069","MoKα","","","0.0469","","","0.0596","","","","","1.4","1.4","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009962","5.6987","0.0002","14.384","0.002","17.218","0.003","90","","90","","90","","1411.4","0.3","295","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C12 H14 Cl N O4 S -","- C12 H14 Cl N O4 S -","- C48 H56 Cl4 N4 O16 S4 -","4","1","HE1006","Ibbett, A.J.; Watkin, D.J.; Jones, J.H.","<i>N</i>-Chlorosulfonyl-<small>L</small>-proline benzyl ester","Acta Crystallographica Section C","1994","50","8","1283","1284","10.1107/S0108270193013733","","","1.5418","CuKα","","","0.045","","","0.054","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009966","12.454","0.003","13.106","0.004","26.755","0.008","90","","90","","90","","4367","2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C16 H19 N O -","- C16 H19 N O -","- C192 H228 N12 O12 -","12","3","HL1036","Jong, Ting-Ting; Jean, Meei-Yueh; Lu, Ta-Jung","(1<i>S</i>,2<i>S</i>,5<i>R</i>,6<i>S</i>)-(+)-6-Carbanilino-1,5-dimethyltricyclo[3.2.0.0^2,6^]heptane","Acta Crystallographica Section C","1994","50","8","1359","1362","10.1107/S0108270193012703","","","0.71069","MoKα","","","0.0634","","","0.0674","","","","","1.92","1.92","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009983","9.707","0.001","10.116","0.001","23.262","0.002","90","","90","","90","","2284.2","0.4","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C23 H31 N O3 S -","- C23 H31 N O3 S -","- C92 H124 N4 O12 S4 -","4","1","NA1066","Berger, B.; Bolte, M.","A γ-hydroxyvinylsulfoximine, C~23~H~31~NO~3~S","Acta Crystallographica Section C","1994","50","8","1281","1282","10.1107/S0108270194000818","","","1.5418","CuKα","","","0.034","","","0.047","","","","","2.6","2.6","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009987","27.414","0.005","9.676","0.003","8.843","0.003","90","","90","","90","","2345.7","1.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C23 H28 N4 O6 -","- C5.75 H7 N O1.5 -","- C23 H28 N4 O6 -","4","1","OH1049","Fukuyama, K.; Irie-Fujii, M.","2-Thymin-1-ylethyl ester of <i>N</i>-<i>tert</i>-butoxycarbonyl-<small>L</small>-tryptophan, C~23~H~28~N~4~O~6~","Acta Crystallographica Section C","1994","50","8","1267","1269","10.1107/S010827019301248X","","","1.5418","CuKα","","","0.057","","","0.073","","","","","0.88","0.88","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009998","6.603","0.004","7.718","0.004","11.26","0.006","90","","90","","90","","573.8","0.6","294","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H2 F2 N2 O3 -","- C4 H2 F2 N2 O3 -","- C16 H8 F8 N8 O12 -","4","1","ST1077","DesMarteau, D. D.; Pennington, W. T.; Resnati, G.","Fluorinated barbituric acid derivatives","Acta Crystallographica Section C","1994","50","8","1305","1308","10.1107/S0108270193012582","","","0.71073","MoKα","","","0.0536","","","0.0736","","","","","2.96","2.96","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2010001","14.934","0.002","27.355","0.005","12.147","0.003","90","","90","","90","","4962.3","1.7","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C55 H52 Au N P4 S3 -","- C57 H57 Au N P4 S3 -","- C228 H228 Au4 N4 P16 S12 -","4","1","ST1090","Staples, R.J.; Wang, S.; Fackler, J.P. Jr; Grim, S.O.; de Laubenfels, E.","[Au(^<i>n^</i>BuPPh~2~){(Ph~2~PS)~3~C}].CH~3~CN: an irregular three-coordinate Au~I~ complex","Acta Crystallographica Section C","1994","50","8","1242","1244","10.1107/S0108270194000570","","","0.71073","MoKα","","","0.0418","","","0.044","","","","","1.008","1.008","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010013","10.618","0.001","21.954","0.001","10.611","0.001","90","","90","","90","","2473.5","0.3","297","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(1'-allyl-3',5'-di-O-benzoyl-β-D-arabinofuranosyl)uracil","","- C26 H24 N2 O8 -","- C26 H24 N2 O8 -","- C104 H96 N8 O32 -","4","1","AS1095","Kentaro Yamaguchi; Yoshiharu Ito; Kazuhiro Haraguchi; Hiromichi Tanaka; Tadashi Miyasaka","A 1'-C-branched uracil nucleoside","Acta Crystallographica Section C","1994","50","9","1472","1474","10.1107/S0108270194001022","","","1.5405","CuKα~1~","","","0.048","","","0.047","","","","","1.5","1.5","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2010021","10.3329","0.0007","11.199","0.002","12.372","0.001","90","","90","","90","","1431.7","0.3","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C8 H14 Br Mn O3 P2 -","- C8 H14 Br Mn O3 P2 -","- C32 H56 Br4 Mn4 O12 P8 -","4","1","CR1086","Mague, J.T.","<i>fac</i>-[Bis(dimethylphosphino)methane]bromotricarbonylmanganese(I) and -rhenium(I)","Acta Crystallographica Section C","1994","50","9","1391","1394","10.1107/S0108270193014039","","","0.71073","MoKα","","","0.027","","","0.037","","","","","1.204","1.204","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010022","10.365","0.001","11.375","0.003","12.518","0.003","90","","90","","90","","1475.9","0.5","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C8 H14 Br O3 P2 Re -","- C8 H14 Br O3 P2 Re -","- C32 H56 Br4 O12 P8 Re4 -","4","1","CR1086","Mague, J.T.","<i>fac</i>-[Bis(dimethylphosphino)methane]bromotricarbonylmanganese(I) and -rhenium(I)","Acta Crystallographica Section C","1994","50","9","1391","1394","10.1107/S0108270193014039","","","0.71073","MoKα","","","0.036","","","0.047","","","","","1.498","1.498","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010027","9.387","0.002","31.005","0.008","5.1952","0.001","90","","90","","90","","1512","0.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-{4-[3(R)-hydroxybutoxy]phenyl}-(R)-5-methoxymethyloxazolidin-2-one","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","DU1076","Wouters, Johan; Evrard, Guy; Durant, Francois","Structure analysis of a reversible monoamine oxidase A inhibitor: 3-{4-[(<i>R</i>)-3-hydroxybutoxy]phenyl}-(<i>R</i>)-5-methoxymethyl-1,3-oxazolidin-2-one","Acta Crystallographica Section C","1994","50","9","1490","1492","10.1107/S0108270194003215","","","1.54178","CuKα","","","0.0528","","","0.0664","","","","","1.95","1.95","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010028","6.667","0.001","7.031","0.001","16.426","0.003","90","","90","","90","","770","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Samarium hydrogenselenite selenite dihydrate","","- H5 O8 Se2 Sm -","- H5 O8 Se2 Sm -","- H20 O32 Se8 Sm4 -","4","1","DU1078","Koskenlinna, Markus; Mutikainen, Ilpo; Leskelä, Markku; Niinistö, Lauri","Sm(HSeO~3~)(SeO~3~).2H~2~O","Acta Crystallographica Section C","1994","50","9","1384","1386","10.1107/S0108270194002428","","","0.71073","MoKα","","0.073","0.0456","","0.1041","0.0926","","","","1.029","1.063","1.063","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010055","8.807","0.019","15.163","0.005","21.47","0.04","90","","90","","90","","2867","8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[pentacarbonyl[1'R,2'S,3'R,6'R-2'-tert-buthyldimethylsilyloxy-6'- (2-furyl)-4'-oxo]cyclohex-1'-ylmethoxymethylen]tungsten(0) complex","","- C25 H32 O9 Si W -","- C25 H32 O9 Si W -","- C100 H128 O36 Si4 W4 -","4","1","MU1103","García-Granda, Santiago; Pérez-Carreqo, Enrique; Paneque-Quevedo, Armando A.; Barluenga, Sofía; Martín, Alfredo","{[(1<i>R</i>,2<i>S</i>,3<i>R</i>,6<i>R</i>)-2-(<i>tert</i>-Butyldimethylsilyloxymethyl)-6-(2-furyl)-3-methyl-4-oxocyclohexyl](methoxy)methylene}pentacarbonyltungsten(0)","Acta Crystallographica Section C","1994","50","9","1430","1432","10.1107/S0108270194003173","","","0.71073","MoKα","","0.0253","0.0178","","0.0477","0.0469","","","","1.059","1.099","1.099","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010060","6.496","0.001","7.993","0.001","20.831","0.003","90","","90","","90","","1081.6","0.3","295","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl-β-D-galacturonic acid methyl ester","","- C8 H16 O8 -","- C8 H16 O8 -","- C32 H64 O32 -","4","1","NA1060","Lamba, Doriano; Fabrizi, Giancarlo; Matsuhiro, Betty","Methyl-α-<small>D</small>-galacturonic acid methyl ester","Acta Crystallographica Section C","1994","50","9","1494","1497","10.1107/S0108270193014210","","","0.71073","MoKα","","0.0538","0.0443","","","0.061","","","","","1.12","1.12","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2010061","6.592","0.001","21.621","0.004","16.894","0.004","90","","90","","90","","2407.8","0.8","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-)-(3S,4R)-1-[4-Cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenyl- 4-piperidinecarboxylic acid Hydrobromide","","- C26 H30 Br F N2 O2 -","- C26 H30 Br F N2 O2 -","- C104 H120 Br4 F4 N8 O8 -","4","1","NA1090","Blaton, N.M.; Peeters, O.M.; De Ranter, C.J.","Structure and absolute configuration of (‒)-(3<i>S</i>,4<i>R</i>)-4-carboxy-1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidinium bromide (levocabastine hydrobromide)","Acta Crystallographica Section C","1994","50","9","1501","1503","10.1107/S0108270194002830","","","1.54184","CuKα","","0.0479","0.0293","","0.043","0.038","","","","","0.91","0.91","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010069","9.518","0.008","16.941","0.012","24.261","0.018","90","","90","","90","","3912","5","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[2-oxo-4-(E)-styryl-N-{[2,2,2',2'-tetramethyl-4,4'-bi(1,3- dioxolanyl)-5-yl]-1,3-dithian-2-ylmethyl}-azetidin-3-yl]isoindol-1,3-dione","","- C38 H46 N2 O9 S2 -","- C38 H46 N2 O9 S2 -","- C152 H184 N8 O36 S8 -","4","1","PA1106","Chiaroni, Angèle; Riche, Claude; Anaya, Josefa; Gateau-Olesker, Alice; Géro, Stephan D.; Hernando, José I.M.","Three 1,3,4-trisubstituted β-lactam antibiotics","Acta Crystallographica Section C","1994","50","9","1474","1480","10.1107/S0108270194001587","","","1.5418","CuKα","","","0.048","","","0.064","","","","","0.95","0.95","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010071","10.77","0.007","14.355","0.01","20.69","0.015","90","","90","","90","","3199","4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-butyl-1-{[2,2,2',2'-tetramethyl-4,4'-bi(1,3- dioxolanyl)-5-yl]-1,3-dithian-2-ylmethyl}-4-[1-methyl-(Z)-styryl]azetidin-2-one","","- C31 H45 N O5 S2 -","- C31 H45 N O5 S2 -","- C124 H180 N4 O20 S8 -","4","1","PA1106","Chiaroni, Angèle; Riche, Claude; Anaya, Josefa; Gateau-Olesker, Alice; Géro, Stephan D.; Hernando, José I.M.","Three 1,3,4-trisubstituted β-lactam antibiotics","Acta Crystallographica Section C","1994","50","9","1474","1480","10.1107/S0108270194001587","","","0.7107","MoKα","","","0.052","","","0.061","","","","","0.62","0.62","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010073","11.04","0.001","18.373","0.001","7.474","0.001","90","","90","","90","","1516","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 S2 -","- C16 H15 N3 S2 -","- C64 H60 N12 S8 -","4","1","AB1103","Diánez, M.J.; Estrada, M.D.; López-Castro, A.; Pérez-Garrido, S.","<i>N</i>-Phenyl-2-phenyliminotetrahydro-1,3-thiazole-2-carbothioamide, C~16~H~15~N~3~S~2~","Acta Crystallographica Section C","1994","50","10","1640","1642","10.1107/S0108270193013708","","","0.71069","MoKα","","","0.032","","","0.033","","","","","1.67","1.67","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2010077","7.3225","0.0004","9.9618","0.0005","21.413","0.0007","90","","90","","90","","1561.98","0.13","295","","295","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","N',N'-dimethylpiperazidonium(1+) trichloro(dimethyl sulfoxide-S)platinate(II)(1-)","","- C8 H19 Cl3 N2 O2 Pt S -","- C8 H19 Cl3 N2 O2 Pt S -","- C32 H76 Cl12 N8 O8 Pt4 S4 -","4","1","AB1179","Veldman, Nora; Spek, Anthony L.; Bloemink, Marieke J.; Dorenbos, Jaco P.; Heetebrij, Rob J.; Reedijk, Jan","<i>N</i>^1^,<i>N</i>^1^-Dimethyl-3-oxopiperazinium(1+) trichloro(dimethyl sulfoxide-<i>S</i>)platinate(1‒), (C~6~H~13~N~2~O)[PtCl~3~(C~2~H~6~OS)]","Acta Crystallographica Section C","1994","50","10","1572","1574","10.1107/S0108270194005020","","","1.54184","CuKα","","","0.047","","","0.0498","","","","","3.57","3.57","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010104","6.432","0.001","14.237","0.002","23.034","0.002","90","","90","","90","","2109.3","0.5","291","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C22 H33 N O4 -","- C22 H33 N O4 -","- C88 H132 N4 O16 -","4","1","KA1019","Ngoan Dao, C.; Luger, P.; Ky, P.T.; Kim, V.N.; Dung, N.X.","Tuberostemonine L-G","Acta Crystallographica Section C","1994","50","10","1612","1615","10.1107/S010827019301251X","","","1.54092","CuKα","","","0.038","","","0.032","","","","","5.11","5.11","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010121","18.752","0.003","18.37","0.003","8.471","0.002","90","","90","","90","","2918","1","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 O9 -","- C32 H46 O9 -","- C128 H184 O36 -","4","1","SE1032","Cuny, E.; Lichtenthaler, F.W.; Lindner, H.J.","Molecular geometry of a pyran‒dioxane‒cyclohexane tricycle with linear <i>cis</i>‒<i>trans</i>-fusion of rings","Acta Crystallographica Section C","1994","50","10","1599","1601","10.1107/S0108270193011485","","","1.54178","CuKα","","","0.0495","","","0.1481","","","","","1.076","1.076","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010148","15.818","0.002","30.39","0.001","10.5707","0.0009","90","","90","","90","","5081.4","0.8","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","endo-(5R,6R,11S,12S)-5,6,11,12-tetrahydro-6-hydroxy-4,11,12-trimethoxy- 9,13,13-trimethyl-5-[(trimethylsilyl)oxy]-6,10-methano-8(7H)- benzocyclodecenone","","- C24 H36 O6 Si -","- C24 H36 O6 Si -","- C192 H288 O48 Si8 -","8","2","AS1124","Takenaka, Yasuyuki; Kubo, Sachiyo; Ohashi, Yuji; Nakamura, Takashi; Waizumi, Nobuaki; Horiguchi, Yoshiaki; Kuwajima, Isao","<i>endo</i>-(5<i>R</i>,6<i>R</i>,11<i>S</i>,12<i>S</i>)-5,6,11,12-Tetrahydro-6-hydroxy-4,11,12-trimethoxy-9,13,13-trimethyl-5-[(trimethylsilyl)oxy]-6,10-methano-8(7<i>H</i>)-benzocyclodecenone","Acta Crystallographica Section C","1994","50","11","1820","1821","10.1107/S0108270194007055","","","1.5418","CuKα","","0.0958","0.058","","0.1726","0.147","","","","1.054","1.131","1.131","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010156","8.445","0.002","16.345","0.005","16.413","0.005","90","","90","","90","","2265.5","1.1","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C23 H24 B2 F8 Ru -","- C23 H24 B2 F8 Ru -","- C92 H96 B8 F32 Ru4 -","4","1","CD1066","Suravajjala, S.; Cervantes-Lee, F.; Porter, L.C.","(η^6^-Fluorene)(η^6^-1-isopropyl-4-methylbenzene)ruthenium(II) bis(tetrafluoroborate), [Ru(C~10~H~14~)(C~13~H~10~)](BF~4~)~2~","Acta Crystallographica Section C","1994","50","11","1678","1681","10.1107/S010827019400051X","","","0.71073","MoKα","","","0.0275","","","0.0231","","","","","2.18","2.18","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010178","9.439","0.003","12.979","0.004","13.773","0.005","90","","90","","90","","1687.3","1","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(7R,8S,9R)-5,6-seco-neo-clerodane-1,3,5(10),13(16),14-pentaene-12-oxo-15, 16-epoxy-18,19;20(7)-diolide","","- C20 H18 O6 -","- C20 H18 O6 -","- C80 H72 O24 -","4","1","HH1055","Toscano, R.A.; Sanchez, A.A.; Esquivel, B.; Esquivel, O.; Rodriguez-Hahn, L.","Salvireptanolide","Acta Crystallographica Section C","1994","50","11","1794","1796","10.1107/S0108270194000181","","","1.54178","CuKα","","","0.039","","","0.045","","","","","1.08","1.08","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010206","3.793","0.0006","15.704","0.002","25.035","0.002","90","","90","","90","","1491.2","0.3","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H5 Cl N2 O -","- C8 H5 Cl N2 O -","- C64 H40 Cl8 N16 O8 -","8","2","KA1066","Gλówka, M.L.; Iwanicka, I.; Olczak, A.","6-Chloro-4(1<i>H</i>)-cinnolinone","Acta Crystallographica Section C","1994","50","11","1770","1772","10.1107/S0108270194001058","","","1.54178","CuKα","","","0.043","","","0.058","","","","","0.77","0.77","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010214","5.995","0.001","9.08","0.001","20.379","0.002","90","","90","","90","","1109.3","0.2","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C12 H12 O4 -","- C12 H12 O4 -","- C48 H48 O16 -","4","1","NA1070","Bolte, M.; Beck, H.; Nieger, M.; Egert, E.","Structural investigation of some lactides","Acta Crystallographica Section C","1994","50","11","1717","1721","10.1107/S0108270194001629","","","0.7107","MoKα","","","0.049","","","0.045","","","","","0.99","0.99","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010219","14.037","0.003","11.716","0.001","9.302","0.001","90","","90","","90","","1529.8","0.4","173","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C12 H28 I N -","- C12 H28 I N -","- C48 H112 I4 N4 -","4","1","OH1039","Yoshida, T.; Nagata, K.; Yasuniwa, M.; Yoshimatsu, M.; Wunderlich, B.","Low-temperature phase of tetrapropylammonium iodide","Acta Crystallographica Section C","1994","50","11","1758","1760","10.1107/S0108270194000703","","","0.71069","MoKα","","","0.0292","","","0.0315","","","","","0.8657","0.8657","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010251","9.829","0.003","11.632","0.004","14.482","0.003","90","","90","","90","","1655.7","0.8","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H20 O4 S -","- C18 H20 O4 S -","- C72 H80 O16 S4 -","4","1","BK1020","Soriano-Garcia, M.; Rodriguez-Romero, A.; Villena, R.; Yuste, F.","(3<i>S</i>,3a<i>R</i>,4<i>R</i>,7<i>S</i>,7a<i>S</i>,S<i>S</i>)-3-Ethoxy-3a,4,7,7a-tetrahydro-4,7-methano-7a-<i>p</i>-tolysulfinyl-1(3<i>H</i>)-isobenzofuranone","Acta Crystallographica Section C","1994","50","12","2093","2094","10.1107/S0108270194004762","","","1.5418","CuKα","","","0.039","","","0.058","","","","","2.49","2.49","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010277","5.9478","0.0005","6.7797","0.0003","24.3482","0.0011","90","","90","","90","","981.82","0.1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Trans-1-methyl-3-amino-4-phenyl-2-azetidinone","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","FG1021","Spek, Anthony L.; Steen, Fred H. van der; Jastrzebski, Johann T.B.H.; Koten, Gerard van","<i>trans</i>-3-Amino-1-methyl-4-phenyl-2-azetidinone, C~10~H~12~N~2~O","Acta Crystallographica Section C","1994","50","12","1933","1935","10.1107/S0108270194007675","","","0.71073","MoKα","","","0.0391","","0.0971","0.0971","","","","1.03","1.03","1.03","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010294","11.519","0.001","15.6","0.001","32.258","0.002","90","","90","","90","","5796.6","0.7","290","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","10,13,19-trihdroxy-4,4,7,12a,16,21a-hexamethyl-1,4,5,5a,7a,12a,13,14,14a,15,18- dodecahydrodicyclohepta[e:e']cycloundeca[1.2-b;5,6-b]dipyran-9,18-dione","","- C33 H40 O7 -","- C33 H38.5 O7 -","- C264 H308 O56 -","8","2","HH1073","Gao, Q.; Mayerl, F.","Eupenifeldin","Acta Crystallographica Section C","1994","50","12","2033","2036","10.1107/S0108270194002817","","","1.5418","CuKα","","","0.054","","","0.055","","","","","1.852","1.852","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010295","6.061","0.001","11.439","0.001","18.858","0.002","90","","90","","90","","1307.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-(-)-(R)-β-styryl p-tolyl sulfoxide","","- C15 H14 O S -","- C15 H14 O S -","- C60 H56 O4 S4 -","4","1","HR1014","Declercq, Jean-Paul; Feneau-Dupont, Janine; Louis, Chantal; Hootelé, Claude","(<i>Z</i>)-(‒)-(<i>R</i>)-β-Styryl <i>p</i>-tolyl sulfoxide","Acta Crystallographica Section C","1994","50","12","1980","1981","10.1107/S0108270194007092","","","1.54178","CuKα","","0.0486","0.0432","","0.1203","0.1164","","","","1.048","1.083","1.083","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010305","7.144","0.002","11.328","0.003","32.658","0.009","90","","90","","90","","2642.9","1.3","291","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O9 Pb S2 -","- C26 H24 O9 Pb S2 -","- C104 H96 O36 Pb4 S8 -","4","1","KA1085","Huber, F.; Remer, J.; Schürmann, M.","Diaquadiphenylbis(<i>p</i>-toluenesulfonato)lead‒water (1/1)","Acta Crystallographica Section C","1994","50","12","1913","1915","10.1107/S0108270194007808","","","0.71073","MoKα","","","0.036","","","0.067","","","","","0.99","0.99","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010307","13.673","0.002","28.3","0.002","8.314","0.005","90","","90","","90","","3217","2","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C26 H33 Cl N4 O12 -","- C26 H33 Cl N4 O12 -","- C104 H132 Cl4 N16 O48 -","4","1","LI1072","Diánez, M. J.; Estrada, M. D.; López-Castro, A.; Pérez-Garrido, S.","Diethyl 6(<i>R</i>)-3-(4-chlorophenyl)-6-(tetra-<i>O</i>-acetyl-<small>D</small>-<i>arabino</i>-threitol-1-yl)-1,2,3,6-tetrahydro-1,2,3,4-tetrazine-1,2-dicarboxylate, C~26~H~33~ClN~4~O~12~","Acta Crystallographica Section C","1994","50","12","1972","1974","10.1107/S0108270193013514","","","0.7107","MoKα","","","0.06","","","0.06","","","","","2.22","2.22","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010312","9.997","0.002","12.78","0.002","21.163","0.004","90","","90","","90","","2703.8","0.9","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H41 N O4 -","- C31 H41 N O4 -","- C124 H164 N4 O16 -","4","1","LI1089","Sagar, M.B.; Ravikumar, K.; Rao, A.V.R.; Reddy, M.M.; Singh, A.K.","Structural studies of intermediates in the synthesis of mifepristone (RU 486). I. An 11β-substituted steroid","Acta Crystallographica Section C","1994","50","12","2089","2093","10.1107/S0108270194003008","","","0.71069","MoKα","","","0.048","","","0.051","","","","","1.38","1.38","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010313","9.293","0.001","10.189","0.002","15.259","0.002","90","","90","","90","","1444.8","0.4","105","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","LI1093","Zhu, N.; Reynolds, M.; Klein, C.L.; Trudell, M.","(‒)-Norcocaine","Acta Crystallographica Section C","1994","50","12","2067","2069","10.1107/S0108270194003367","","","0.7093","MoKα","","","0.04","","","0.05","","","","","1.98","1.98","","","","","has coordinates","190732","2020-10-21","18:00:00",""
"2010324","5.508","0.001","10.828","0.002","14.363","0.003","90","","90","","90","","856.6","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,6-Dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,6H)-dione monohydrate","","- C6 H12 N4 O3 -","- C6 H12 N4 O3 -","- C24 H48 N16 O12 -","4","1","NA1080","Dekaprilevich, Marina O.; Suvorova, Lyudmila I.; Khmelnitskii, Lenor I.; Struchkov, Yuri T.","1,6-Dimethyltetrahydroimidazo[4,5-<i>d</i>]-imidazole-2,5(1<i>H</i>,6<i>H</i>)-dione monohydrate","Acta Crystallographica Section C","1994","50","12","2056","2058","10.1107/S0108270194004555","","","0.71069","MoKα","","0.0755","0.0563","","0.1675","0.1503","","","","1.08","1.087","1.087","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010327","12.925","0.003","14.16","0.004","23.97","0.006","90","","90","","90","","4386.9","1.9","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","30-dechloro-30-methoxy-25-O-methyl-N-methylnaphthomycin A","","- C44 H59 N O12 -","- C44 H50 N O12 -","- C176 H200 N4 O48 -","4","1","NA1096","Cellai, Luciano; Cerrini, Silvio; Lamba, Doriano; Burla, Maria Cristina; Brufani, Mario; Fedeli, Walter; Keller-Schierlein, Walter","30-Dechloro-30-methoxy-25-<i>O</i>-methyl-<i>N</i>-methylnaphthomycin A","Acta Crystallographica Section C","1994","50","12","2060","2064","10.1107/S0108270194008140","","","0.71069","MoKα","","0.1771","0.0931","","0.0875","0.0828","","","","","1.63","1.63","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010356","8.875","0.002","9.826","0.002","26.468","0.005","90","","90","","90","","2308.2","0.8","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Br O2 P -","- C26 H28 Br O2 P -","- C104 H112 Br4 O8 P4 -","4","1","BK1011","Boys, D.; Araya-Maturana, R.; Gonzalez, O.; Manriquez, V.","[1-(Ethoxycarbonyl)-1-cyclopentyl]triphenylphosphonium Bromide, [(C~6~H~5~)~3~PC(C~4~H~8~)(COOC~2~H~5~)]Br","Acta Crystallographica Section C","1995","51","1","105","107","10.1107/S0108270194005433","","","0.71073","MoKα","","","0.032","","","0.031","","","","","1.006","1.006","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010378","7.176","0.001","11.969","0.002","12.621","0.002","90","","90","","90","","1084","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O3 S -","- C10 H16 O3 S -","- C40 H64 O12 S4 -","4","1","HU1093","Hellier, Desmond G.; Motevalli, Majid","Two Isomeric Sulfites of 10β-Pinane-2,3α-diol","Acta Crystallographica Section C","1995","51","1","116","119","10.1107/S0108270194007183","","","0.71069","MoKα","","0.113","0.0477","","0.1163","0.1046","","","","0.947","1.182","1.182","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010379","6.706","0.001","12.49","0.002","12.965","0.003","90","","90","","90","","1085.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O3 S -","- C10 H16 O3 S -","- C40 H64 O12 S4 -","4","1","HU1093","Hellier, Desmond G.; Motevalli, Majid","Two Isomeric Sulfites of 10β-Pinane-2,3α-diol","Acta Crystallographica Section C","1995","51","1","116","119","10.1107/S0108270194007183","","","1.5418","CuKα","","0.1513","0.0457","","0.1025","0.0869","","","","0.841","1.216","1.216","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010382","9.97","0.002","14.049","0.003","19.013","0.004","90","","90","","90","","2663.1","1","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H45 N2 O3 P -","- C23 H45 N2 O3 P -","- C92 H180 N8 O12 P4 -","4","1","HU1102","Blazis, Vincent J.; Koeller, Kevin J.; Rath, Nigam P.; Spilling, Christopher D.","A Chiral Bicyclic 1-Acetoxy Phosphonamide","Acta Crystallographica Section C","1995","51","1","86","88","10.1107/S0108270194007948","","","0.71073","MoKα","","","0.0495","","","0.0593","","","","","1.2","1.2","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010388","10.971","0.002","11.034","0.002","18.1","0.005","90","","90","","90","","2191.1","0.8","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C17 H11 N O9 Ru3 -","- C17 H11 N O9 Ru3 -","- C68 H44 N4 O36 Ru12 -","4","1","MU1090","Wong, W.-T.; Wong, W.-Y.","Triruthenium Alkylidyne Cluster Complexes [H~2~Ru~3~(CO)~9~(μ~3~-C<i>X</i>)] (<i>X</i> = Pyridine, 4-Ethylpyridine)","Acta Crystallographica Section C","1995","51","1","57","60","10.1107/S010827019400555X","","","0.71073","MoKα","","","0.028","","","0.04","","","","","1.394","1.394","","","","","has coordinates","190560","2020-10-21","18:00:00",""
"2010400","5.77","0.003","5.923","0.002","21.056","0.001","90","","90","","90","","719.6","0.4","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C6 H4 N2 S2 -","- C6 H4 N2 S2 -","- C24 H16 N8 S8 -","4","1","PA1078","Benali-Cherif, N.; Pierrot, M.; Baudrion, C.; Aune, J.P.","5,5'-Bithiazole and 2,5'-Bithiazole","Acta Crystallographica Section C","1995","51","1","76","77","10.1107/S0108270194002969","","","0.71069","MoKα","","","0.041","","","0.054","","","","","2.3","2.3","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010411","7.968","0.0014","8.1104","0.0011","23.761","0.003","90","","90","","90","","1535.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O3 S -","- C16 H20 O3 S -","- C64 H80 O12 S4 -","4","1","","R. Retoux; P. Hayes; C. Maignan","(5S,SS)-7-Methyl-8-p-toluenesulfinyl-1,6-dioxaspiro[4.5]dec-7-ene","Acta Crystallographica Section C","1995","51","","93","94","","","","","","","","0.0514","","","0.1337","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010412","8.5143","0.0007","11.8171","0.0006","14.752","0.0009","90","","90","","90","","1484.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C64 H68 N4 O12 S4 -","4","1","","P. Gosselin; E. Bonfand; C. Maignan; R. Retoux","The Diels-Alder Adduct of an Enantiopure 2-Sulfinyldiene and Maleimide: (1S,2R,3S,R~s~)-3-Methyl-5-p-toluenesulfinylcyclohex-4-en-1,2-dicarboximide","Acta Crystallographica Section C","1995","51","","94","96","","","","","","","","0.0419","","","0.1108","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010423","9.325","0.001","11.474","0.002","17.418","0.003","90","","90","","90","","1863.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quitenine ethyl ester","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Lewinski, Krzysztof; Nitek, Wojciech; Oleksyn, Barbara J.; Stec, Boguslaw","Quitenine Ethyl Ester","Acta Crystallographica Section C","1995","51","","282","285","","","","","","","","0.0335","","","0.0914","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010430","9.7196","0.0013","9.848","0.002","30.923","0.007","90","","90","","90","","2959.9","1","122","0.5","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N O9 -","- C32 H35 N O9 -","- C128 H140 N4 O36 -","4","1","AS1116","Lopez de Diego, Heidi","(<i>S</i>)-1-Phenylethylammonium (<i>S</i>)-Mandelate‒Mandelic Acid (1/2), C~8~H~12~N^+^.C~8~H~7~O~3~^{-^}.2C~8~H~8~O~3~","Acta Crystallographica Section C","1995","51","2","253","256","10.1107/S010827019400764X","","","1.5418","CuKα","","","0.044","","","0.1298","","","","","1.15","1.15","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010478","9.958","0.003","9.961","0.004","12.978","0.006","90","0.03","90","0.03","90","0.03","1287.3","0.9","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O -","- C15 H24 O -","- C60 H96 O4 -","4","1","","Mukherjee, Monika; Mukherjee, Alok K.; Das, Sarbani; Mukherjee, Debabrata; Helliwell, Madeleine","(±)-7,7,9β-Trimethyl-6(αH)-cis-tricyclo[6.3.1.0^1,6^]dodecan-2-one.","Acta Crystallographica Section C","1995","51","","280","282","","","","","","","","0.0502","","","0.1217","","","","","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010502","10.805","0.001","12.71","0.002","17.538","0.002","90","0.01","90","0.01","90","0.01","2408.5","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-oxonimonol","6-oxonimonol","","- C28 H34 O5 -","- C28 H34 O5 -","- C112 H136 O20 -","4","1","BK1476","Kabaleeswaran, V.; Malathi, R.; Rajan, S.S.; Suresh, G.; Narashiman, N.S.","Nimonol and 6-oxonimonol","Acta Crystallographica Section C","2000","56","1","82","84","10.1107/S0108270199011609","","","1.5418","CuKα","","0.0492","0.0429","","","","0.1285","","","","","","0.8","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010521","9.366","0.003","19.875","0.001","8.204","0.009","90","","90","","90","","1527.2","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(Z)-3-benzylidene-N-phenylisoindolin-1-one","(Z)-3-benzylidene-N-phenylisoindolin-1-one","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","FR1206","Mukherjee, Alok K.; Guha, Subhadra; Khan, M. Wahab; Kundu, Nitya G.; Helliwell, Madeleine","Two (<i>Z</i>)-<i>N</i>-aryl-3-benzylideneisoindolin-1-ones","Acta Crystallographica Section C","2000","56","1","85","87","10.1107/S0108270199012445","","","1.5418","CuKα","","0.0517","0.0436","","0.1105","","0.1058","","","1.086","","","1.116","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010528","13.245","0.01","21.984","0.01","30.732","0.01","90","","90","","90","","8948","8","122","0.2","122","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Putidin","S-β-hydroxydecanoyl-D-Leu-D-Asp-D-allo-Thr-D-Leu-D-Leu-D-Ser-L-Leu- D-Gln-L-Leu-L-Ile-L-Glu:ethylacetate:dihydrate","","- C71 H127 N12 O24 -","- C71 H127 N12 O24 -","- C284 H508 N48 O96 -","4","1","GD1059","Henriksen, Anette; Anthoni, Uffe; Nielsen, Tommy H.; Sørensen, Jan; Christophersen, Carsten; Gajhede, Michael","Cyclic lipoundecapeptide tensin from <i>Pseudomonas fluorescens</i> strain 96.578","Acta Crystallographica Section C","2000","56","1","113","115","10.1107/S0108270199013414","","","1.5418","CuKα","","0.0975","0.0704","","","","0.205","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010529","13.014","0.0009","16.399","0.0015","20.726","0.003","90","0.008","90","0.01","90","0.009","4423.3","0.8","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","trans-[hydrotetrakis(trimethylphosphine)Rhodiumchloride/bromide] [(tetrabromobenzene-1,2-diolato)borate] dichloromethane solvate","","- C25 H39 B Br8.27 Cl2.73 O4 P4 Rh -","- C25 H39 B Br8.26 Cl2.74 O4 P4 Rh -","- C100 H156 B4 Br33.04 Cl10.96 O16 P16 Rh4 -","4","1","GD1060","Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Robins, Edward G.","Compositional disorder in <i>trans</i>-[RhBr~0.26~Cl~0.74~H(PMe~3~)~4~][B(1,2-O~2~C~6~Br~4~)]·CH~2~Cl~2~","Acta Crystallographica Section C","2000","56","1","50","52","10.1107/S0108270199013554","","","0.71073","MoKα","","0.0703","0.0486","","0.1184","","0.1126","","","1.031","","","1.154","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010532","9.343","0.004","21.922","0.008","6.447","0.003","90","","90","","90","","1320.5","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Ethyl-4'-thio-2'-deoxyuridine sulfoxide monohydrate","","- C11 H18 N2 O6 S -","- C11 H18 N2 O6 S -","- C44 H72 N8 O24 S4 -","4","1","HA1268","Sun, Ming; Macculloch, Alasdair C.; Hamor, Thomas A.; Walker, Richard T.","5-Ethyl-2'-deoxy-4'-thiouridine (<i>R</i>)-<i>S</i>-oxide monohydrate","Acta Crystallographica Section C","2000","56","1","116","117","10.1107/S0108270199012548","","","0.71073","MoKα","","0.032","0.031","","0.078","","0.077","","","1.072","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010535","13.9929","0.0011","19.6661","0.0011","24.89","0.003","90","","90","","90","","6849.4","1.1","200","1","200","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 Cd Cl N5 O12 -","- C26 H50 Cd Cl N5 O12 -","- C208 H400 Cd8 Cl8 N40 O96 -","8","2","JA1006","Davies, Philip. J.; Lincoln, Stephen F.; Smith, Christopher B.; Taylor, Max R.; Wainwright, Kevin P.; Wallwork, Kia S.","{Δ-1,4,7,10-Tetrakis[(<i>S</i>)-2-hydroxypropyl-κ<i>O</i>]-1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>}cadmium(II) 4-nitrophenolate perchlorate hydrate","Acta Crystallographica Section C","2000","56","1","28","30","10.1107/S0108270199012391","","","0.71073","Mo_Kα","","0.073","0.041","","0.077","","0.07","","","1.471","1.403","1.403","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2010538","8.9875","0.0001","15.4363","0.0001","20.0845","0.0002","90","","90","","90","","2786.4","0.05","173","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(η^5^-isopropyl-tetramethyl-cyclopentadienyl)- (tetrahydroborato-κ^3^H,H',H'')-(tetrahydrofuran)-samarium(III)","","- C28 H50 B O Sm -","- C28 H50 B O Sm -","- C112 H200 B4 O4 Sm4 -","4","1","JZ1369","Schumann, Herbert; Keitsch, Markus R.; Mühle, Stefan H.","Bis(η^5^-isopropyltetramethylcyclopentadienyl)(tetrahydroborato-κ^3^<i>H</i>,<i>H</i>',<i>H</i>'')(tetrahydrofuran-<i>O</i>)-samarium(III): a lanthanidocene complex with a tridentate tetrahydroborato ligand","Acta Crystallographica Section C","2000","56","1","48","49","10.1107/S0108270199013001","","","0.71073","MoKα","","0.039","0.0309","","","","0.0503","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010542","6.398","0.0004","9.7142","0.0005","35.119","0.004","90","","90","","90","","2182.7","0.3","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β-acetoxy-5α,6β-dihydroxy-bisnorcholanic acid 22\ρigtharrow16 lactone","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","LN1086","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Pomés Hernández, Ramón; Mola, José L.; Serafín Pérez, Carlos; Suárez García, Leticia; Iglesias, Martín A.; Coll Manchado, Francisco","3β-Acetoxy-5α,6β-dihydroxybisnorcholanic acid 22→16 lactone","Acta Crystallographica Section C","2000","56","1","78","79","10.1107/S0108270199011300","","","1.54184","CuKα","","0.0485","0.0457","","0.1329","","0.1329","","","1.051","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010614","6.5156","0.0007","8.2006","0.0011","20.6704","0.0014","90","","90","","90","","1104.5","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,2-dimethyl-1-picrylhydrazine","2,2-dimethyl-1-(2,4,6-trinitro)phenylhydrazine","","- C8 H9 N5 O6 -","- C8 H9 N5 O6 -","- C32 H36 N20 O24 -","4","1","DA1101","Quail, J. Wilson; Weil, John A.; Singh, Malvinder P.","2,2-Dimethyl-1-(2,4,6-trinitrophenyl)hydrazine","Acta Crystallographica Section C","2000","56","2","235","236","10.1107/S0108270199014547","","","0.71073","MoKα","","0.0478","0.0384","","","","0.0999","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010624","9.5567","0.0019","20.491","0.004","27.169","0.005","90","","90","","90","","5320.4","1.8","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Leurosine methiodide-methanol-water (1/3/2)","","","- C50 H75 I N4 O14 -","- C50 H75 I0.996 N4 O14 -","- C200 H300 I3.984 N16 O56 -","4","1","GS1056","Hardouin, Christophe; Doris, Eric; Rousseau, Bernard; Mioskowski, Charles; Nierlich, Martine","Leurosine methiodide‒methanol‒water (1/3/2)","Acta Crystallographica Section C","2000","56","2","225","226","10.1107/S0108270199014055","","","0.71073","MoKα","","0.106","0.073","","","","0.211","","","","","","0.965","","","","has coordinates,has disorder,has Fobs","194542","2020-10-21","18:00:00",""
"2010632","5.4741","0.0009","7.3018","0.0007","26.791","0.003","90","","90","","90","","1070.9","0.2","134","2","134","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C44 H52 F4 O16 -","4","1","KA1343","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2000","56","2","201","205","10.1107/S010827019901361X","","","0.71073","MoKα","","0.04","0.037","","","","0.111","","","","","","1.393","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010633","6.7109","0.0014","6.7653","0.0007","22.846","0.003","90","","90","","90","","1037.2","0.3","135","2","135","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1'-deoxy-1'-(4-fluorophenyl)-β-D-ribofuranose","","- C11 H13 F O4 -","- C11 H13 F O4 -","- C44 H52 F4 O16 -","4","1","KA1343","Bats, Jan W.; Parsch, Jörg; Engels, Joachim W.","1-Deoxy-1-(4-fluorophenyl)-β-<small>D</small>-ribofuranose, its hemihydrate, and 1-deoxy-1-(2,4-difluorophenyl)-β-<small>D</small>-ribofuranose: structural evidence for intermolecular C—H···F—C interactions","Acta Crystallographica Section C","2000","56","2","201","205","10.1107/S010827019901361X","","","0.71073","MoKα","","0.053","0.039","","","","0.09","","","","","","1.114","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010655","8.9276","0.0007","11.1291","0.0009","19.7562","0.0015","90","","90","","90","","1962.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tris(2,6-diaminopyridine)silver(I)nitrate ?","","- C15 H21 Ag N10 O3 -","- C15 H21 Ag N10 O3 -","- C60 H84 Ag4 N40 O12 -","4","1","OS1082","Kristiansson, Olof","Bis(4-aminopyridine)silver(I) nitrate and tris(2,6-diaminopyridine)silver(I) nitrate","Acta Crystallographica Section C","2000","56","2","165","167","10.1107/S0108270199014432","","","0.71073","MoKα","","0.0311","0.024","","","","0.0545","","","","","","0.937","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2010660","16.645","0.002","25.768","0.002","7.066","0.003","90","","90","","90","","3030.7","1.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Oleana-12(13), 15(16)-diene-3α, 28 diol diacetate","","- C34 H52 O4 -","- C34 H52 O4 -","- C136 H208 O16 -","4","1","QA0202","Bhattacharyya, Kinkini; Kar, Tanusree; Dutta, Pradeep Kumar; Achari, Basudeb; Bocelli, Gabriele; Righi, Lara","Oleana-12(13),15(16)-diene-3α,28-diyl diacetate","Acta Crystallographica Section C","2000","56","2","e60","e61","10.1107/S0108270100000445","","","1.54178","CuKα","","0.0502","0.0463","","0.141","","0.1367","","","1.123","","","1.162","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010697","6.2209","0.0006","11.9726","0.0013","15.0705","0.0012","90","","90","","90","","1122.46","0.19","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S/3R)-3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","BM1380","Gallagher, John F.; Brady, Fiona; Murphy, Carol","Intermolecular interactions in the chiral and racemic forms of 3-hydroxy-2-(1-oxoisoindolin-2-yl)butanoic acid derived from threonine","Acta Crystallographica Section C","2000","56","3","365","368","10.1107/S0108270199015619","","","0.7107","MoKα","","0.073","0.04","","","","0.096","","","","","","1.007","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010702","14.1107","0.0002","15.5953","0.0002","16.6469","0.0002","90","","90","","90","","3663.33","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis-[N,N'-{2,4,6-trimethylphenyl}-1,2-ethanediylidenediamine]copper(I) tetrafluoroborate","","- C40 H48 B Cu F4 N4 -","- C40 H48 B Cu F4 N4 -","- C160 H192 B4 Cu4 F16 N16 -","4","1","BM1389","Caroline L. Foster; Colin A. Kilner; Mark Thornton-Pett; Malcolm A. Halcrow","Bis[<i>N</i>,<i>N</i>'-bis(2,4,6-trimethylphenyl)-1,2-ethanediylidenediamine]copper(I) tetrafluoroborate","Acta Crystallographica Section C","2000","56","3","319","320","10.1107/S0108270199015863","","","0.71073","MoKα","","0.0317","0.029","","","","0.0732","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010717","9.3933","0.0007","9.3963","0.0007","30.329","0.002","90","","90","","90","","2676.9","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C112 H160 O32 -","8","2","FR1250","Guzei, Ilia A.; Wang, Xuemei; Kraus, George A.","An angularly fused three-ring precursor to phytuberin","Acta Crystallographica Section C","2000","56","3","389","390","10.1107/S0108270199016522","","","0.71073","MoKα","","0.0575","0.038","","","","0.079","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010753","6.4262","0.0003","11.0841","0.0004","12.9142","0.0005","90","","90","","90","","919.86","0.06","110","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R)-1,8,8-Trimethyl-3-oxabicyclo[3.2.1]octane-2,4-dione","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","QB0154","Kumaradhas, P; Levendis, D. C.; Koritsanszky, T.","The low-temperature study of <small>D</small>- and <small>DL</small>-camphoric anhydride","Acta Crystallographica Section C","2000","56","3","e103","e104","10.1107/S0108270100001840","","","0.71073","MoKα","","0.029","0.029","","0.073","","0.072","","","1.109","","","1.109","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010756","5.6528","0.0001","11.1532","0.0002","16.9897","0.0001","90","","90","","90","","1071.15","0.03","158","2","158","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acetyl-L-phenylalanine","","","- C11 H13 N O3 -","- C11 H13 N O3 -","- C44 H52 N4 O12 -","4","1","QB0164","Stout, Kyle L.; Hallock, Kevin J.; Kampf, Jeff W.; Ramamoorthy, Ayyalusamy","<i>N</i>-Acetyl-<small>L</small>-phenylalanine","Acta Crystallographica Section C","2000","56","3","e100","e100","10.1107/S0108270100001712","","","0.71073","MoKα","","0.03","0.028","","","","0.077","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010766","11.2608","0.0006","13.0527","0.0005","14.6607","0.0006","90","","90","","90","","2154.89","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Triphenyltin 3-ureidopropionate","Catena-poly[triphenyltin-μu-(3-ureidopropionato-O:O')]","","- C22 H22 N2 O3 Sn -","- C22 H22 N2 O3 Sn -","- C88 H88 N8 O12 Sn4 -","4","1","QB0186","Ng, Seik Weng","Orthorhombic modification of triphenyltin 3-ureidopropionate","Acta Crystallographica Section C","2000","56","3","e86","e87","10.1107/S0108270100002432","","","0.71073","MoKα","","0.044","0.034","","","","0.077","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010775","3.974","0.003","9.164","0.008","19.172","0.006","90","","90","","90","","698.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-bromo-5-hydroxybenzaldehyde","","- C7 H5 Br O2 -","- C7 H5 Br O2 -","- C28 H20 Br4 O8 -","4","1","SK1352","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; d'A. Rocha Gonsalves, A. M.; Serra, A. C.","2-Bromo-5-hydroxybenzaldehyde","Acta Crystallographica Section C","2000","56","3","354","355","10.1107/S0108270199015267","","","0.71073","MoKα","","0.0575","0.0227","","","","0.0509","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010776","5.553","0.001","12.34","0.001","20.875","0.002","90","","90","","90","","1430.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Costuslactone-B","3,6,10-trimethyl-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[1,2-b]furan-2,9-dione","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","TA1253","Wang, Qiguang; Zhou, Baofan; Zhai, Jianjun","Costuslactone B","Acta Crystallographica Section C","2000","56","3","369","370","10.1107/S0108270199015723","","","0.71073","MoKα","","0.033","0.031","","","","0.137","","","","","","1.239","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010786","7.0115","0.0001","18.7691","0.0006","21.1681","0.0007","90","","90","","90","","2785.71","0.13","200","1","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O -","- C10 H16 O -","- C120 H192 O12 -","12","3","BK1491","Harper, James K.; Arif, Atta M.; Grant, David M.","<i>cis</i>-Verbenol","Acta Crystallographica Section C","2000","56","4","451","452","10.1107/S010827019901570X","","","0.71073","MoKα","","","0.047","","","","0.127","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010803","10.881","0.002","15.753","0.002","5.4764","0.0005","90","","90","","90","","938.7","0.2","293.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","DE1122","Kanazawa, Hitoshi","<i>N</i>-Carboxy-<small>L</small>-phenylalanine anhydride","Acta Crystallographica Section C","2000","56","4","469","470","10.1107/S0108270100000330","","","0.7107","MoKα","","","0.055","","","","0.158","","","","","","1.25","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010812","9.5666","0.0003","11.1026","0.0002","20.32","0.0006","90","0.01","90","0.01","90","0.01","2158.27","0.1","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F N O6 -","- C23 H20 F N O6 -","- C92 H80 F4 N4 O24 -","4","1","GS1061","Marc Rolland; Monique Calmès; Françoise Escale; Jean Martinez","Nouveaux dérivés de <i>N</i>-phtalimido-2-arylepropanoate de pantolactonyle","Acta Crystallographica Section C","2000","56","4","445","447","10.1107/S0108270199015292","","","0.71073","MoKα","","","0.033","","","","0.052","","","","","","1.22","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010819","6.6304","0.0012","12.886","0.002","31.442","0.005","90","","90","","90","","2686.4","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,11-Dioxo-18α-olean-12-en-28-oic acid methyl ester","","- C31 H46 O4 -","- C31 H46 O4 -","- C124 H184 O16 -","4","1","JZ1368","Gzella, Andrzej","Triterpenoide. XIX. 3β-Hydroxy-11-oxo-18α-olean-12-en-28-säure-methylester und 3,11-Dioxo-18α-olean-12-en-28-säure-methylester","Acta Crystallographica Section C","2000","56","4","505","507","10.1107/S0108270199014602","","","1.54178","CuKα","","0.044","0.036","","","","0.105","","","","","","1.049","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010827","7.146","0.001","10.561","0.001","21.306","0.001","90","","90","","90","","1607.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1 Hetero-assembly of 2-Aminopyrimidine and (+)-Camphoric acid","","- C14 H21 N3 O4 -","- C14 H21 N3 O4 -","- C56 H84 N12 O16 -","4","1","LN1090","Shyamaprosad Goswami; Reshmi Mukherjee; Kumaresh Ghosh; Ibrahim Abdul Razak; S. Shanmuga Sundara Raj; Hoong-Kun Fun","1:1 Hetero-assembly of 2-aminopyrimidine and (+)-camphoric acid","Acta Crystallographica Section C","2000","56","4","477","478","10.1107/S0108270100000755","","","0.71073","MoKα","","0.138","0.065","","","","0.159","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010829","9.4958","0.001","10.1947","0.0008","22.124","0.002","90","","90","","90","","2141.8","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4S)-3-Phenyl-1-[(R)-1-phenylethyl]-4-[(R)-1-phenylethyliminomethyl]azet idin-2-one","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","LN1096","Kooijman, Huub; Spek, Anthony L.; Kleijn, Henk; Maanen, Hendrik L. van; Jastrzebski, Johann T. B. H.; Koten, Gerard van","(3<i>R</i>,4<i>S</i>)-3-Phenyl-1-[(<i>R</i>)-1-phenylethyl]-4-[(<i>R</i>)-1-phenylethyliminomethyl]azetidin-2-one","Acta Crystallographica Section C","2000","56","4","481","483","10.1107/S0108270100000767","","","0.71073","MoKα","","0.064","0.04","","","","0.106","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010831","7.025","0.001","8.0689","0.0004","16.754","0.002","90","","90","","90","","949.68","0.18","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-acetyl-L-threoninate ammonium","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","NA1450","Puliti, Raffaella; Mattia, Carlo Andrea","Ammonium <i>N</i>-acetyl-<small>L</small>-threoninate and methylammonium <i>N</i>-acetyl-<small>L</small>-threoninate","Acta Crystallographica Section C","2000","56","4","496","499","10.1107/S0108270100001268","","","1.54056","CuKα","","0.0362","0.0358","","","","0.0435","","","","","","0.964","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010844","8.339","0.002","27.604","0.004","7.817","0.002","90","","90","","90","","1799.4","0.7","293","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N4 O4 -","- C20 H14 N4 O4 -","- C80 H56 N16 O16 -","4","1","QA0230","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of <i>N</i>-methyl-and <i>N</i>-ethylcarbazole with 3,5-dinitrobenzonitrile","Acta Crystallographica Section C","2000","56","4","e147","e148","10.1107/S0108270100003851","","","0.71073","MoKα","","","0.063","","","","0.162","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010848","13.774","0.002","18.615","0.001","5.888","0.002","90","","90","","90","","1509.7","0.6","298","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","QA0231","Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu","Charge-transfer complexes of 4-(dimethylamino)pyridine with 2,4-, 3,4- and 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2000","56","4","e149","e150","10.1107/S0108270100003863","","","0.71073","MoKα","","","0.035","","","","0.093","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010862","8.76","0.002","32.09","0.002","6.269","0.002","90","","90","","90","","1762.3","0.7","248","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O3 S -","- C18 H24 O3 S -","- C72 H96 O12 S4 -","4","1","QA0246","Hosomi, Hiroyuki; Ohba, Shigeru; Ohmori, Ken; Obitsu, Tetsuo; Ogawa, Yasuyuki; Ishikawa, Yuichi; Yamamura, Shosuke; Nishiyama, Shigeru","(+)-3-{(4<i>S</i>,5<i>S</i>)-5-[1,1-Dimethyl-2-(phenylthio)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl}prop-2-yn-1-ol","Acta Crystallographica Section C","2000","56","4","e142","e143","10.1107/S0108270100003371","","","1.54184","CuKα","","","0.04","","","","0.108","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010869","11.166","0.001","13.423","0.001","10.878","0.001","90","","90","","90","","1630.4","0.2","298","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Isopropyl-4-methyl-4-phenyl-3,4-dihydro-2H-isoquinoline-1-thione","","- C19 H21 N S -","- C19 H21 N S -","- C76 H84 N4 S4 -","4","1","QA0254","Hosomi, Hiroyuki; Ohba, Shigeru; Aoyama, Hiromu","2-Isopropyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline-1-thione","Acta Crystallographica Section C","2000","56","4","e155","e155","10.1107/S0108270100004054","","","0.71073","MoKα","","","0.043","","","","0.124","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010879","8.4937","0.0006","8.5226","0.0004","27.884","0.004","90","","90","","90","","2018.5","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Poly[[bis(dimethyl sulfoxide-κO)tris(thiocyanato-κN)manganese(II)]-μ- thiocyanato-κ^2^N:S-mercury(II)]","","- C8 H12 Hg Mn N4 O2 S6 -","- C8 H12 Hg Mn N4 O2 S6 -","- C32 H48 Hg4 Mn4 N16 O8 S24 -","4","1","SK1349","Wang, Xin Qiang; Yu, Wen Tao; Xu, Dong; Lu, Meng Kai; Yuan, Duo Rong","Poly[[bis(dimethyl sulfoxide-κ<i>O</i>)tris(thiocyanato-κ<i>N</i>)manganese(II)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>-mercury(II)]","Acta Crystallographica Section C","2000","56","4","418","420","10.1107/S0108270199016765","","","0.71073","MoKα","","0.07","0.043","","","","0.112","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010912","5.9384","0.0004","12.3808","0.0009","17.2097","0.0014","90","","90","","90","","1265.29","0.16","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S)-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)pentanoic acid","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","GD1085","Gallagher, John F.; Brady, Fiona","O—H···O, C—H···O and C—H···π~arene~ intermolecular interactions in (2<i>S</i>)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)pentanoic acid and (2<i>S</i>)-3-methyl-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)butanoic acid","Acta Crystallographica Section C","2000","56","5","619","622","10.1107/S0108270100003553","","","0.7107","MoKα","","0.047","0.029","","","","0.076","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2010917","7.187","0.005","11.72","0.005","20.258","0.005","90","","90","","90","","1706.4","1.5","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (1R,2S,3R,4S)-2-benzamido-3-(1,2-dihydroxyethyl)bicyclo[2.2.1]heptane-2- carboxylate","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","JZ1375","Buñuel, Elena; Cativiela, Carlos; Díaz-de-Villegas, María D.; Gálvez, José A.","Two new conformationally restricted 4,5-dihydroxynorvaline analogues with a norbornane skeleton","Acta Crystallographica Section C","2000","56","5","587","591","10.1107/S0108270100001645","","","0.71073","MoKα","","","0.029","","","","0.07","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010926","7.471","0.001","13.988","0.001","15.739","0.002","90","","90","","90","","1644.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2',3'-didehydro-2',3'-O-dideoxythymidine (D4T) 1-methylpyrrolidone (NMPO) solvate","1-(2',3'-dideoxy-β-D-glycero-pent-2-enofuranosyl)thimine 1-methylpyrrolidone","","- C15 H21 N3 O5 -","- C15 H21 N3 O5 -","- C60 H84 N12 O20 -","4","1","NA1454","Viterbo, Davide; Milanesio, Marco; Pomés Hernández, Ramón; Rodríguez Tanty, Chryslaine; Colás González, Ivan; Sablón Carrazana, Marquiza; Duque Rodríguez, Julio","2',3'-Didehydro-3'-deoxythymidine <i>N</i>-methyl-2-pyrrolidone solvate (D4T·NMPO)","Acta Crystallographica Section C","2000","56","5","580","581","10.1107/S0108270100001451","","","0.71069","MoKα","","0.0992","0.0584","","","","0.1553","","","","","","0.998","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2010934","6.7152","0.0003","10.1507","0.0005","15.5447","0.0009","90","","90","","90","","1059.59","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Azacyclopentylidene(pentacarbonyl)chromium(0)","","- C9 H7 Cr N O5 -","- C9 H7 Cr N O5 -","- C36 H28 Cr4 N4 O20 -","4","1","QA0221","Nieger, Martin; Haase, Wilm-Christian; Dötz, Karl Heinz","An N-unprotected Fischer pyrrolidinylidene complex","Acta Crystallographica Section C","2000","56","5","e174","e175","10.1107/S0108270100004479","","","0.71073","MoKα","","0.029","0.024","","","","0.057","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2010962","18.06","0.003","23.477","0.003","5.736","0.002","90","","90","","90","","2432","1","296","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O6 -","- C26 H34 O6 -","- C104 H136 O24 -","4","1","QA0281","Kani, Yoshiyuki; Ohba, Shigeru; Amano, Seiji; Ogawa, Noriko; Ohtsuka, Masami; Chida, Noritaka","(1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>S</i>)-2-[(2<i>R</i>,3<i>S</i>)-2,3-Dimethyloxiran-2-yl]-3,4-bis(4-methoxybenzyloxy)cyclohexanol","Acta Crystallographica Section C","2000","56","5","e222","e222","10.1107/S0108270100005606","","","0.71073","MoKα","","","0.073","","","","0.221","","","","","","1.92","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010968","7.827","0.0004","12.7936","0.0008","17.3523","0.0012","90","","90","","90","","1737.58","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2(S)-amino-3-(1H-imidazol-4(5)-yl)propyl cyclohexylmethyl ether dihydrochloride","","- C13 H25 Cl2 N3 O -","- C13 H25 Cl2 N3 O -","- C52 H100 Cl8 N12 O4 -","4","1","QB0202","Kovalainen, Jari T.; Wegelius, Elina; Christiaans, Johannes A. M.; Huuskonen, Juhani; Gynther, Jukka","2(<i>S</i>)-Amino-3-[1<i>H</i>-imidazol-4(5)-yl]propyl cyclohexylmethyl ether dihydrochloride and 2(<i>S</i>)-amino-3-[1<i>H</i>-imidazol-4(5)-yl]propyl 4-bromobenzyl ether dihydrochloride","Acta Crystallographica Section C","2000","56","5","e216","e217","10.1107/S0108270100005291","","","0.71073","MoKα","","0.094","0.046","","","","0.084","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010969","7.553","0.0002","12.9964","0.0006","17.78","0.0009","90","","90","","90","","1745.32","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2(S)-amino-3-(1H-imidazol-4(5)-yl)propyl 4-bromobenzyl ether dihydrochloride","","- C13 H18 Br Cl2 N3 O -","- C13 H18 Br Cl2 N3 O -","- C52 H72 Br4 Cl8 N12 O4 -","4","1","QB0202","Kovalainen, Jari T.; Wegelius, Elina; Christiaans, Johannes A. M.; Huuskonen, Juhani; Gynther, Jukka","2(<i>S</i>)-Amino-3-[1<i>H</i>-imidazol-4(5)-yl]propyl cyclohexylmethyl ether dihydrochloride and 2(<i>S</i>)-amino-3-[1<i>H</i>-imidazol-4(5)-yl]propyl 4-bromobenzyl ether dihydrochloride","Acta Crystallographica Section C","2000","56","5","e216","e217","10.1107/S0108270100005291","","","0.71073","MoKα","","0.088","0.047","","","","0.09","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2010979","15.169","0.01","25.197","0.008","11.638","0.006","90","","90","","90","","4448","4","296.2","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","trans-(4-Amino-2,2,6,6-tetramethylpiperidine-N^4^)bis(pentane-2,4-dionato-O,O') (triphenylphosphine-P)cobalt(III) hexafluorophosphate dichloromethane solvate","","- C38 H51 Cl2 Co F6 N2 O4 P2 -","- C38 H51 Cl2 Co F6 N2 O4 P2 -","- C152 H204 Cl8 Co4 F24 N8 O16 P8 -","4","1","TA1277","Suzuki, Takayoshi; Ogita, Masahiro; Kaizaki, Sumio","<i>trans</i>-(4-Amino-2,2,6,6-tetramethylpiperidine-<i>N</i>^4^)bis(pentane-2,4-dionato-<i>O</i>,<i>O</i>')(triphenylphosphine-<i>P</i>)cobalt(III) hexafluorophosphate dichloromethane solvate","Acta Crystallographica Section C","2000","56","5","532","533","10.1107/S010827010000113X","","","0.7107","MoKα","","","0.051","","","","0.193","","","","","","0.969","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011002","7.187","0.001","11.261","0.002","12.812","0.003","90","","90","","90","","1036.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","GD1082","Ejsmont, Krzysztof; Domański, Andrzej; Kyzioł, Janusz; Zaleski, Jacek","4-Hydroxy-<i>ONN</i>-azoxybenzene","Acta Crystallographica Section C","2000","56","6","697","699","10.1107/S0108270100003449","","","0.71073","MoKα","","0.1092","0.0337","","","","0.096","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011008","12.216","0.004","12.463","0.005","16.781","0.007","90","","90","","90","","2554.9","1.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Haperforine B1","methyl 4-(3,6-dihydro-2,2-dimethyl-6-oxo-2H-pyran-3-ylideneacetyl)-8- furanoyl-5-(1-hydroxyethyl)-4,8-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate","","- C27 H32 O9 -","- C27 H32 O9 -","- C108 H128 O36 -","4","1","GS1076","Chiaroni, Angèle; Riche, Claude; Khuong-Huu, Qui; Nguyen-Ngoc, Hanh; Nguyen-Viet, Kinh; Khuong-Huu, Françoise","New limonoids from <i>Harrisonia perforata</i> (Blanco) Merr.","Acta Crystallographica Section C","2000","56","6","711","713","10.1107/S0108270100003565","","","1.5418","CuKα","","0.0516","0.0485","","0.1309","","0.1278","","","1.075","","","1.087","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011074","10.352","0.001","20.083","0.002","6.828","0.004","90","","90","","90","","1419.5","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-poly[[diaqua(phenanthroline-N,N')cadmium(II)-μ-(sulfato- O:O')]","","- C12 H12 Cd N2 O6 S -","- C12 H12 Cd N2 O6 S -","- C48 H48 Cd4 N8 O24 S4 -","4","1","BK1526","Harvey, Miguel; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo F.","<i>catena</i>-Poly[[diaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')] and <i>catena</i>-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')cadmium(II)]-μ-(sulfato-<i>O</i>:<i>O</i>')]","Acta Crystallographica Section C","2000","56","7","811","813","10.1107/S010827010000617X","","","0.71073","MoKα","","0.032","0.026","","","","0.076","","","","","","0.995","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011100","7.177","0.002","42.67","0.002","5.09","0.002","90","","90","","90","","1558.8","0.8","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,15-pentadecanediol","","","- C15 H32 O2 -","- C15 H32 O2 -","- C60 H128 O8 -","4","1","DE1141","Nakamura, Naotake; Uno, Kenjiro; Watanabe, Ryoji; Ikeya, Tatsuhiro; Ogawa, Yoshihiro","1,15-Pentadecanediol","Acta Crystallographica Section C","2000","56","7","903","904","10.1107/S0108270100006272","","","1.5418","CuKα","","0.0787","0.0487","","0.0658","","0.0582","","","1.387","","","1.516","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011132","8.845","0.002","9.931","0.002","27.325","0.005","90","","90","","90","","2400.2","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl {1-[2,3-O-isopropylidene-5-O-(4-nitrobenzoyl)-α-D- ribofuranosyl]-4-methoxycarbonyl-1,2,3-triazol-5-yl} acetate","","- C22 H24 N4 O11 -","- C22 H24 N4 O11 -","- C88 H96 N16 O44 -","4","1","JZ1388","Leban, Ivan; Štimac, Anton; Kobe, Jože; Giester, Gerald","Methyl {1-[2,3-<i>O</i>-isopropylidene-5-<i>O</i>-(4-nitrobenzoyl)-α-<small>D</small>-ribofuranosyl]-4-methoxycarbonyl-1<i>H</i>-1,2,3-triazol-5-yl}acetate","Acta Crystallographica Section C","2000","56","7","890","891","10.1107/S0108270100005394","","","0.71073","MoKα","","0.0557","0.0491","","","","0.1221","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011138","18.17","0.004","10.53","0.003","6.972","0.002","90","","90","","90","","1334","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Lena-3h","","","- C11 H13 N5 O5 -","- C11 H13 N5 O5 -","- C44 H52 N20 O20 -","4","1","NA1458","Taycher, Hellena; Shteiman, Vitaly; Botoshansky, Mark; Kaftory, Menahem","3,5-Dimethyl-6-(4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (II), 3,5-dimethyl-6-(<i>N</i>-methyl-4-nitroanilino)-2,3,4,5-tetrahydro-1,3,5-triazine-2,4-dione, (III), and 1,3,5-trimethyl-6-(4-nitrophenylimino)-1,3,5-triazinane-2,4-dione, (IV)","Acta Crystallographica Section C","2000","56","7","832","835","10.1107/S0108270100004303","","","0.71069","MoKα","","0.0676","0.0487","","","","0.1297","","","","","","1.194","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011157","7.1543","0.0007","9.9408","0.0011","12.946","0.001","90","","90","","90","","920.71","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","K2 Ti Si3 O9, H2O","dipotassium titanium trisilicate hydrate","","- H2 K2 O10 Si3 Ti -","- H2 K2 O10 Si3 Ti -","- H8 K8 O40 Si12 Ti4 -","4","1","OS1103","Zou, Xiaodong; Dadachov, Mike S.","K~2~TiSi~3~O~9~·H~2~O","Acta Crystallographica Section C","2000","56","7","738","739","10.1107/S010827010000545X","","","0.71073","MoKα","","0.036","0.029","","","","0.068","","","","","","0.993","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011169","8.4691","0.0009","10.3985","0.0008","12.4538","0.0015","90","","90","","90","","1096.8","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,4bS,8aR)-(1,2,3,4b,5,6,7,8,8a,9a-Decahydro-4,9a-diazafluoren-1-yl)methanol","","- C12 H20 N2 O -","- C12 H20 N2 O -","- C48 H80 N8 O4 -","4","1","QA0321","Kooijman, Huub; Spek, Anthony L.","(1<i>R</i>,4b<i>S</i>,8a<i>R</i>)-(1,2,3,4b,5,6,7,8,8a,9a-Decahydro-4,9a-diazafluoren-1-yl)methanol","Acta Crystallographica Section C","2000","56","7","e295","e296","10.1107/S0108270100007678","","","0.71073","MoKα","","0.089","0.05","","","","0.104","","","","","","0.993","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011181","7.139","0.002","26.763","0.002","6.815","0.002","90","","90","","90","","1302.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl Fe O5 -","- C11 H11 Cl Fe O5 -","- C44 H44 Cl4 Fe4 O20 -","4","1","SX1099","Russi, Silvia; Suescun, Leopoldo; Mombrú, Alvaro; Pardo, Helena; Mariezcurrena, Raúl A.; Cavalli, Gabriel; Seoane, Gustavo","(<i>S</i>)-Tricarbonyl[(1,2,3,4-η)-(5<i>R</i>,6<i>S</i>)-1-chloro-5,6-dimethoxycyclohexa-1,3-diene]iron(0)","Acta Crystallographica Section C","2000","56","7","820","821","10.1107/S0108270100006399","","","0.7107","MoKα","","0.048","0.044","","","","0.119","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011215","5.386","0.0005","11.47","0.002","27.539","0.003","90","","90","","90","","1701.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Piv-Proψ[CH2-NH-O]Gly-NH^i^Pr","(S)-N-(tert-butylcarbonyl)-2-[[O-(N-isopropylacetamidyl)] -hydroxylaminomethylene]-pyrrolidine","","- C15 H29 N3 O3 -","- C15 H29 N3 O3 -","- C60 H116 N12 O12 -","4","1","GS1085","Corbier, Catherine; Didierjean, Claude; Thévenet, Laurent; Vanderesse, Regis; Marraud, Michel","Piv-Proψ[CH~2~‒NH‒O]Gly‒NH^<i>i^</i>Pr","Acta Crystallographica Section C","2000","56","8","995","996","10.1107/S0108270100006478","","","1.5406","CuKα","","0.059","0.0541","","","","0.1573","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011219","11.0434","0.0005","11.0028","0.0003","12.746","0.0006","90","0.001","90","0.001","90","0.001","1548.75","0.11","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","GS1091","Kassem, Tarek; Rolland, Valérie; Martinez, Jean; Rolland, Marc","Two key chiral intermediates in a new 4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2000","56","8","1037","1039","10.1107/S010827010000740X","","","0.71073","MoKα","","","0.041","","","","0.058","","","","","","1.319","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011220","8.261","0.0003","12.5168","0.0005","14.9291","0.0003","90","0.001","90","0.001","90","0.001","1543.69","0.09","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","GS1091","Kassem, Tarek; Rolland, Valérie; Martinez, Jean; Rolland, Marc","Two key chiral intermediates in a new 4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2000","56","8","1037","1039","10.1107/S010827010000740X","","","0.71073","MoKα","","","0.039","","","","0.06","","","","","","1.309","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011224","7.0662","0.0016","22.083","0.003","40.141","0.005","90","","90","","90","","6263.7","1.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3β-acetoxy-12-oxo-18β-olean-28-oate","","- C33 H52 O5 -","- C33 H52 O5 -","- C264 H416 O40 -","8","2","JZ1393","Gzella, Andrzej","Triterpenoide. XX. 3β-Acetoxy-12-oxo-18β-olean- und 3β-Acetoxy-12,19-dioxo-9(11),13(18)-oleandien-28-säure-methylester","Acta Crystallographica Section C","2000","56","8","983","985","10.1107/S0108270100005801","","","1.54178","CuKα","","0.088","0.044","","","","0.13","","","","","","1.077","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011226","4.8995","0.001","11.33","0.0013","23.82","0.003","90","","90","","90","","1322.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S,5S)-(+)-4-Hydroxymethyl-2,5-diphenyloxazoline","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","JZ1397","Gzella, Andrzej; Rozwadowska, Maria D.","(4<i>S</i>,5<i>S</i>)-(+)-4-Hydroxymethyl-2,5-diphenyloxazoline","Acta Crystallographica Section C","2000","56","8","981","982","10.1107/S0108270100006818","","","1.54178","CuKα","","0.032","0.0289","","","","0.0817","","","","","","1.076","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011251","9.727","0.002","16.632","0.004","7.104","0.002","90","","90","","90","","1149.3","0.5","210","2","210","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N5 O2 -","- C11 H13 N5 O2 -","- C44 H52 N20 O8 -","4","1","QA0334","Swenson, Dale C.; Nair, Vasu; Bera, Sanjib","Two isomeric dideoxynucleosides","Acta Crystallographica Section C","2000","56","8","e343","e345","10.1107/S0108270100008921","","","0.71073","MoKα","","0.025","0.023","","","","0.064","","","","","","1.107","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011263","13.9","0.004","14.648","0.005","15.553","0.005","90","","90","","90","","3166.7","1.7","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(+)-(2R,3S)-3-Bromo-2-chloro-N-(4-nitrophenyl)-3-phenylpropanamide","","- C15 H12 Br Cl N2 O3 -","- C15 H12 Br Cl N2 O3 -","- C120 H96 Br8 Cl8 N16 O24 -","8","2","QA0345","Chan, Bun; Wong Leh See, Elicia; Simpson, Jim; Tan, Eng Wui","(+)-(2<i>R</i>,3<i>S</i>)-3-Bromo-2-chloro-<i>N</i>,<i>N</i>-diisopropyl-3-phenylpropanamide and (+)-(2<i>R</i>,3<i>S</i>)-3-bromo-2-chloro-<i>N</i>-(4-nitrophenyl)-3-phenylpropanamide","Acta Crystallographica Section C","2000","56","8","e354","e355","10.1107/S0108270100009161","","","0.71073","MoKα","","0.052","0.033","","","","0.066","","","","","","0.967","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011268","15.594","0.003","16.837","0.002","5.6919","0.0008","90","","90","","90","","1494.4","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,8R,11R)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","1","QA0352","Yoshinobu Inouye","(1<i>R</i>,8<i>R</i>,11<i>R</i>)-3,3,11-Trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-one and (1<i>R</i>,2<i>R</i>,8<i>R</i>,11<i>R</i>)-3,3,11-trimethyl-6,6-ethylenedioxybicyclo[6.3.0]undecan-2-ol","Acta Crystallographica Section C","2000","56","8","e361","e362","10.1107/S0108270100009616","","","0.71073","MoKα","","0.172","0.068","","0.253","","0.168","","","1.066","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011325","8.2107","0.0003","9.3093","0.0004","26.8707","0.0009","90","","90","","90","","2053.89","0.13","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl2 N2 Ru -","- C21 H30 Cl2 N2 Ru -","- C84 H120 Cl8 N8 Ru4 -","4","1","","Aitali, Mustapha; El Firdoussi, Larbi; Karim, Abdellah; Barrero, Alejandro F.; Quirós, Miguel","A ruthenium(II) complex with p-cymene and (S)-2-anilinoethylpyrrolidine","Acta Crystallographica, Section C","2000","56","","1088","1089","10.1107/S0108270100008787","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2011327","6.3914","0.0005","9.0264","0.0006","26.9292","0.0019","90","","90","","90","","1553.58","0.19","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","GG1013","Ellis, Dianne D.; Spek, Anthony L.","(2<i>R</i>,3<i>R</i>,5<i>R</i>)-2-[(2<i>R</i>,3a<i>S</i>,6a<i>R</i>)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-<i>b</i>]furan-2-yl]-5-isopropenyl-2,3-dimethylcyclohexanone and (4a<i>R</i>,5<i>S</i>,7<i>R</i>)-5-isopropenyl-7,8,8-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalene-4a-carbonitrile","Acta Crystallographica Section C","2000","56","9","1173","1175","10.1107/S0108270100008805","","","0.71073","MoKα","","0.0748","0.048","","","","0.1137","","","","","","0.951","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011328","8.3419","0.0009","12.3902","0.001","14.4052","0.0014","90","","90","","90","","1488.9","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O -","- C17 H23 N O -","- C68 H92 N4 O4 -","4","1","GG1013","Ellis, Dianne D.; Spek, Anthony L.","(2<i>R</i>,3<i>R</i>,5<i>R</i>)-2-[(2<i>R</i>,3a<i>S</i>,6a<i>R</i>)-2,3,3a,4,5,6a-Hexahydrofuro[2,3-<i>b</i>]furan-2-yl]-5-isopropenyl-2,3-dimethylcyclohexanone and (4a<i>R</i>,5<i>S</i>,7<i>R</i>)-5-isopropenyl-7,8,8-trimethyl-2,3,4,4a,5,6,7,8-octahydronaphthalene-4a-carbonitrile","Acta Crystallographica Section C","2000","56","9","1173","1175","10.1107/S0108270100008805","","","0.71073","MoKα","","0.0874","0.0503","","","","0.1047","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011330","5.674","0.0014","11.699","0.006","33.534","0.0015","90","","90","","90","","2226","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,6-Anhydro-2,3-di-O-Benzyl-5C-(Carbethoxy-1(R)-hydroxymethyl)-L-altrofuranose","1,6-Anhydro-2,3-di-O-benzyl-5C-[(R)-ethoxycarbonyl(hydroxy)methyl]-L- altrofuranose","","- C24 H28 O8 -","- C24 H28 O8 -","- C96 H112 O32 -","4","1","GS1095","Taillefumier, Claude; Charron, Christophe; Chapleur, Yves; Aubry, Andre","1,6-Anhydro-2,3-di-<i>O</i>-benzyl-5<i>C</i>-[(<i>R</i>)-ethoxycarbonyl(hydroxy)methyl]-β-<small>L</small>-altrofuranose","Acta Crystallographica Section C","2000","56","9","1168","1169","10.1107/S0108270100008702","","","1.5418","CuKα","","0.064","0.051","","","","0.148","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011350","9.682","0.005","18.654","0.005","8.977","0.005","90","","90","","90","","1621.3","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 S2 -","- C15 H20 O4 S2 -","- C60 H80 O16 S8 -","4","1","QA0358","Kubo, Kanji; Mori, Akira; Kato, Nobuo; Takeshita, Hitoshi","5,8,11-Trioxa-2,14-dithiabicyclo[13.4.1]icosa-1(19),15,17-trien-20-one","Acta Crystallographica Section C","2000","56","9","e396","e397","10.1107/S0108270100010489","","","0.71073","MoKα","","0.087","0.04","","","","0.102","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011352","6.004","0.002","7.675","0.004","45.564","0.003","90","","90","","90","","2099.6","1.3","143","2","143","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O8 -","- C21 H25 N O8 -","- C84 H100 N4 O32 -","4","1","QA0363","Gainsford, Graeme J.; Tyler, Peter C.; Furneaux,Richard H.","1,7,8-Tri-<i>O</i>-acetyl-6-<i>O</i>-benzoylcastanospermine","Acta Crystallographica Section C","2000","56","9","e394","e395","10.1107/S0108270100010477","","","0.71073","MoKα","","0.048","0.048","","","","0.093","","","","","","1.126","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011354","9.7567","0.0003","10.344","0.0003","17.0684","0.0006","90","","90","","90","","1722.6","0.09","291","1","291","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","QA0370","Uerdingen, Marc; Schürmann, Markus; Preut, Hans; Krause, Norbert","3,17-Dioxoandrosta-4,6-dien-11-yl acetate","Acta Crystallographica Section C","2000","56","9","e415","e415","10.1107/S0108270100011094","","","0.71073","MoKα","","0.097","0.035","","","","0.078","","","","","","0.933","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011355","11.353","0.005","22.134","0.005","5.897","0.007","90","","90","","90","","1481.8","1.9","296","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-Kynulenine sulfate dihydrate","","- C10 H18 N2 O9 S -","- C10 H18 N2 O9 S -","- C40 H72 N8 O36 S4 -","4","1","QA0372","Okabe, Nobuo; Eguchi, Yoko; Miura, Junko; Akiko, Shimosaki","<small>L</small>-Kynureninium sulfate dihydrate","Acta Crystallographica Section C","2000","56","9","e416","e417","10.1107/S0108270100011100","","","0.71069","MoKα","","","0.0565","","","","0.1629","","","","","","1.153","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011358","7.0911","0.0001","12.2566","0.0002","20.5272","0.0004","90","","90","","90","","1784.08","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(6-amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)- N-[β-D-glucopyranosyl]acetamide","","- C13 H24 N4 O10 -","- C13 H24 N4 O10 -","- C52 H96 N16 O40 -","4","1","QA0376","Low, John Nicolson; Molina, Sebastián; Nogueras, Manuel; Sánchez, Adolfo; Cobo, Justo","<i>N</i>-(6-Amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-<i>N</i>-(β-<small>D</small>-glucopyranosyl)acetamide","Acta Crystallographica Section C","2000","56","9","e420","e420","10.1107/S0108270100011148","","","0.71073","MoKα","","0.045","0.039","","","","0.1","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011359","14.409","0.002","16.489","0.003","19.267","0.003","90","","90","","90","","4577.6","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Clarithromycin Hydrochloride 3.5 Hydrate","6-O-Methylerythromycin A Hydrochloride 3.5 Hydrate","","- C38 H77 Cl N O16.5 -","- C38 H77 Cl N O16.5 -","- C152 H308 Cl4 N4 O66 -","4","1","QD0001","Parvez, Masood; Arayne, M. Saeed; Sabri, Rizwana; Sultana, Najma; 6-O-Methylerythromycin A Hydrochloride 3.5 Hydrate","Clarithromycin hydrochloride 3.5-hydrate","Acta Crystallographica Section C","2000","56","9","e398","e399","10.1107/S0108270100010490","","","1.54178","CuKα","","0.109","0.058","","","","0.15","","","","","","1.05","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2011410","5.37","0.005","8.971","0.008","9.92","0.009","90","","90","","90","","477.9","0.8","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Hydroxycyclopent-2-enone","3-Hydroxycyclopent-2-enone","","- C5 H6 O2 -","- C5 H6 O2 -","- C20 H24 O8 -","4","1","DE1148","Gerrard, Juliet A.; Meade, Susie J.; Morris, Jonathan C.; Steel, Peter J.","Two crystalline modifications of 2-hydroxycyclopent-2-enone","Acta Crystallographica Section C","2000","56","10","1251","1253","10.1107/S0108270100009550","","","0.71073","MoKα","","0.0451","0.0315","","","","0.0697","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011416","8.714","0.008","16.167","0.014","16.948","0.014","90","","90","","90","","2388","4","301","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(3,4,5-trimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxyca rbonyl) (III)","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C88 H116 N4 O28 -","4","1","FR1251","Sara K. Metcalf; Elizabeth M. Holt","Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds","Acta Crystallographica Section C","2000","56","10","1228","1231","10.1107/S0108270100008416","","","0.71073","MoKα","","0.125","0.069","","","","0.22","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011433","7.4538","0.0008","7.5568","0.0007","17.6385","0.0013","90","","90","","90","","993.52","0.16","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","OS1119","Ellis, Dianne D.; Spek, Anthony L.","(5<i>S</i>)-3-Oxo-4-oxa-<i>endo</i>-tricyclo[5.2.1.0^2,6^]dec-8-en-5-yl acetate","Acta Crystallographica Section C","2000","56","10","1269","1270","10.1107/S0108270100010179","","","0.71073","MoKα","","0.0395","0.0341","","","","0.0825","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011462","4.9475","0.0005","8.2059","0.0012","35.213","0.005","90","","90","","90","","1429.6","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Alanine-tryptophan monohydrate","","","- C14 H19 N3 O4 -","- C14 H19 N3 O4 -","- C56 H76 N12 O16 -","4","1","QD0019","Emge, T. J.; Agrawal, A.; Dalessio, J. P.; G. Dukovic; J. A. Inghrim; K. Janjua; M. Macaluso; L. L. Robertson; T. J. Stiglic; Y. Volovik; M. M. Georgiadis","Alaninyltryptophan hydrate, glycyltryptophan dihydrate and tryptophylglycine hydrate","Acta Crystallographica Section C","2000","56","10","e469","e471","10.1107/S0108270100011926","","","1.5418","CuKα","","0.029","0.026","","","","0.063","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011465","7.415","0.003","8.353","0.004","24.406","0.01","90","","90","","90","","1511.6","1.1","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(S)-2-(Fluorodiphenylmethyl)pyrrolidinium chloride","","- C17 H19 Cl F N -","- C17 H19 Cl F N -","- C68 H76 Cl4 F4 N4 -","4","1","QD0021","Batsanov, Andrei S.; Howard, Judith A. K.","(‒)-(<i>S</i>)-2-(Fluorodiphenylmethyl)pyrrolidinium chloride","Acta Crystallographica Section C","2000","56","10","e467","e468","10.1107/S0108270100011914","","","0.71073","MoKα","","0.029","0.027","","","","0.067","","","","","","1.079","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011489","10.93","0.0009","12.7162","0.0011","15.7085","0.0013","90","","90","","90","","2183.3","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","tetracycline hydrochloride","[(4S,4aS,5aS,6R,12aS)-2-aminohydroxymethylene-1,2,3,4,4a,5,5a,6,11,12a-decahydro-6,10,12,12a-tetrahydroxy-6-methyl-1,3,11-trioxonaphthacen-4-yl]dimethylammonium chloride","","- C22 H25 Cl N2 O8 -","- C22 H25 Cl N2 O8 -","- C88 H100 Cl4 N8 O32 -","4","1","","Clegg, William; Teat, Simon J.","Tetracycline hydrochloride: a synchrotron micro-crystal study","Acta Crystallographica Section C","2000","56","11","1343","1345","10.1107/S0108270100010349","","","0.6883","synchrotron","","0.063","0.05","","","","0.116","","","","","","0.969","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011514","7.247","0.004","57.94","0.003","5.048","0.004","90","","90","","90","","2120","2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,21-Henicosanediol","","","- C21 H44 O2 -","- C21 H44 O2 -","- C84 H176 O8 -","4","1","GG1020","Naotake Nakamura; Kenjiro Uno; Yoshihiro Ogawa","1,21-Henicosanediol","Acta Crystallographica Section C","2000","56","11","1389","1390","10.1107/S0108270100011288","","","1.5418","CuKα","","0.076","0.051","","0.09","","0.083","","","1.67","","","1.896","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011528","5.317","0.0011","16.642","0.003","19.998","0.004","90","","90","","90","","1769.5","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O2 S2 -","- C19 H22 O2 S2 -","- C76 H88 O8 S8 -","4","1","OS1121","Kansikas, Jarno; Sipilä, Kaija","(1<i>S</i>,2<i>R</i>,2'<i>S</i>)- and (1<i>S</i>,2<i>S</i>,2'<i>S</i>)-1-phenyl-2-phenylthio-2-(tetrahydropyran-2'-ylthio)ethanol diastereoisomers at 193K","Acta Crystallographica Section C","2000","56","11","1383","1385","10.1107/S0108270100011161","","","0.71073","MoKα","","0.047","0.0405","","","","0.105","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011549","9.7626","0.0006","12.428","0.0008","16.677","0.0007","90","","90","","90","","2023.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","1","QA0412","Roh, Soo-Gyun; Jeong, Jong Hwa","1,3,5-Tri-<i>p</i>-tolylbiuret","Acta Crystallographica Section C","2000","56","11","e529","e530","10.1107/S0108270100013536","","","0.71073","MoKα","","0.067","0.033","","","","0.095","","","","","","0.985","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011569","5.926","0.002","9.489","0.003","13.452","0.005","90","","90","","90","","756.4","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","bicyclo[2.2.1]hept-2-ene-endo-cis-5,6-dicarboxylic anhydride","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","SK1412","Bolte, Michael; Degen, Alexander; Egert, Ernst","Diels‒Alder adducts of maleic anhydride and dienes: new compounds by crystallization","Acta Crystallographica Section C","2000","56","11","1338","1342","10.1107/S0108270100010131","","","0.71073","MoKα","","0.043","0.041","","","","0.11","","","","","","1.138","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011581","10.306","0.003","12.953","0.004","28.826","0.009","90","","90","","90","","3848","2","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 I2 O6 P2 -","- C36 H44 I2 O6 P2 -","- C144 H176 I8 O24 P8 -","4","1","TA1297","Gainsford, Graeme J.; Lensink, Cornelis; Hart, Joanne B.; Falshaw, Andrew","1<small>D</small>-3,4-Di-<i>O</i>-(diphenylmethylphosphonio)-1,2,5,6-tetra-<i>O</i>-methyl-<i>chiro</i>-inositol diiodide","Acta Crystallographica Section C","2000","56","11","1396","1398","10.1107/S0108270100011574","","","0.71073","MoKα","","0.0271","0.0225","","","","0.0513","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011596","8.4915","0.0012","11.1454","0.0013","12.6558","0.0013","90","","90","","90","","1197.8","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- B4 K Li O7 -","- B4 K Li O7 -","- B32 K8 Li8 O56 -","8","2","BR1301","Ono, Yasuhiro; Nakaya, Michiko; Kajitani, Tsuyoshi; Sugawara, Tamotsu; Watanabe, Noriko; Shiraishi, Hiroyuki; Komatsu, Ryuichi","Lithium potassium borate and lithium rubidium borate: new non-linear optical crystals","Acta Crystallographica Section C","2000","56","12","1413","1415","10.1107/S0108270100013445","","","0.71073","MoKα","","","0.0244","","","","0.0553","","","","","","1.123","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011597","8.6257","0.0012","11.2576","0.0013","12.8531","0.0015","90","","90","","90","","1248.1","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- B4 Li O7 Rb -","- B4 Li O7 Rb -","- B32 Li8 O56 Rb8 -","8","2","BR1301","Ono, Yasuhiro; Nakaya, Michiko; Kajitani, Tsuyoshi; Sugawara, Tamotsu; Watanabe, Noriko; Shiraishi, Hiroyuki; Komatsu, Ryuichi","Lithium potassium borate and lithium rubidium borate: new non-linear optical crystals","Acta Crystallographica Section C","2000","56","12","1413","1415","10.1107/S0108270100013445","","","0.71073","MoKα","","","0.05","","","","0.0754","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011605","9.73","0.001","10.661","0.002","17.898","0.003","90","","90","","90","","1856.6","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-Gibberellin C","(+)-2β,4aα-dihydroxy-1,7-dimethyl-8-oxo-4bβ,7α-gibbane-1α,10β- dicarboxylic acid-1,4a-lactone","","- C19 H26 O7 -","- C19 H26 O7 -","- C76 H104 O28 -","4","1","FR1300","Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.","(+)-Gibberellin C: hydrogen-bonding pattern of the monohydrate of a non-racemic pentacyclic diterpenoid","Acta Crystallographica Section C","2000","56","12","1507","1509","10.1107/S0108270100013135","","","0.71073","MoKα","","0.117","0.053","","","","0.108","","","","","","1.02","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011611","8.018","0.008","20.134","0.013","7.389","0.008","90","","90","","90","","1192.8","1.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4'-Thio-α-thymidine(R)-S-oxide","","- C10 H14 N2 O5 S -","- C10 H13.604 N2 O5 S -","- C40 H54.416 N8 O20 S4 -","4","1","GS1102","Sun, Ming; Macculloch, Alasdair C.; Hamor, Thomas A.; Walker, Richard T.","5-Methyl-2'-deoxy-4'-thio-α-uridine (<i>R</i>)-<i>S</i>-oxide","Acta Crystallographica Section C","2000","56","12","1492","1493","10.1107/S0108270100012798","","","0.71073","MoKa","","0.0302","0.0299","","","0.0821","0.0822","","","","1.095","1.095","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011619","5.0955","0.0003","13.2155","0.0007","20.167","0.0011","90","","90","","90","","1358.04","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Phenylalanyl-L-valine","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","JZ1429","Görbitz, Carl Henrik","An NH~3~^+^···phenyl interaction in <small>L</small>-phenylalanyl-<small>L</small>-valine","Acta Crystallographica Section C","2000","56","12","1496","1498","10.1107/S0108270100012762","","","0.71073","MoKα","","0.03","0.0277","","","","0.0703","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011626","8.854","0.001","12.122","0.001","17.708","0.002","90","","90","","90","","1900.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","eudesmane sesquiterpenoid","3β-angloyloxy-4αacetoxy-5αH-furanoeudesmane","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","QA0410","Wang, Qiguang; Ma, Chunling; Zhai, Jianjun","Furanoeudesmane-B, a new eudesmane sesquiterpenoid from <i>Myoporum bontioides</i>","Acta Crystallographica Section C","2000","56","12","e569","e569","10.1107/S0108270100014797","","","0.71073","MoKα","","0.056","0.04","","0.039","","0.039","","","1.421","","","1.421","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011634","7.5279","0.0003","10.4817","0.0004","24.7865","0.0011","90","","90","","90","","1955.78","0.14","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H21 Br4 N O Sn2 -","- C9 H21 Br4 N O Sn2 -","- C36 H84 Br16 N4 O4 Sn8 -","4","1","QA0424","König, Uwe-Christoph; Berkei, Michael; Hirsch, Claudia; Preut, Hans; Mitchell, Terence Nigel","Bromodimethyl(<i>N</i>-methylpyrrolidin-2-one-<i>O</i>)tin(IV)-di-μ-bromo-bromodimethyltin(IV)","Acta Crystallographica Section C","2000","56","12","e550","e551","10.1107/S0108270100014980","","","0.71069","MoKα","","0.06","0.036","","","","0.065","","","","","","0.903","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011639","6.371","0.004","8.824","0.008","34.303","0.01","90","","90","","90","","1928","2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O4 -","- C19 H28 N2 O4 -","- C76 H112 N8 O16 -","4","1","QA0435","Fountoulaki, Fani; Renate Geßmann; Hans Brückner; Kokkinidis, Michael","The peptide (<i>Z</i>)-Pro‒Leuol","Acta Crystallographica Section C","2000","56","12","e578","e579","10.1107/S010827010001502X","","","1.5418","CuKα","","0.117","0.067","","0.093","","0.093","","","1.995","","","1.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011640","7.419","0.004","7.522","0.004","21.814","0.008","90","","90","","90","","1217.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Acetyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazole-3-one hydrate","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C48 H56 N8 O12 -","4","1","QA0436","Gloe, Karsten; Uzoukwu, Bieluonwu A.; Rademacher, Otto; 4-Acetyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazole-3-one hydrate","4-Acetyl-5-methyl-2-phenyl-1,2-dihydro-3<i>H</i>-pyrazol-3-one hydrate","Acta Crystallographica Section C","2000","56","12","e580","e581","10.1107/S0108270100015031","","","0.71073","MoKα","","0.042","0.037","","","","0.103","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011641","7.0198","0.0002","12.0153","0.0005","24.669","0.002","90","","90","","90","","2080.7","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5α-9(11)(16)-pregnadien-3β-ol-20-oxime acetate","","- C23 H33 N O3 -","- C23 H33 N O3 -","- C92 H132 N4 O12 -","4","1","QA0437","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.","20-Hydroxyimino-5α-pregna-9(11),16-dien-3β-yl acetate and 17-oxo-5α-androst-9(11)-en-3β-yl acetate","Acta Crystallographica Section C","2000","56","12","e582","e583","10.1107/S0108270100015043","","","1.5418","CuKα","","0.0459","0.0389","","0.111","","0.111","","","1.057","","","1.057","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2011651","13.115","0.003","24.305","0.003","6.388","0.003","90","","90","","90","","2036.2","1.1","298.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 F3 N O4 -","- C21 H20 F3 N O4 -","- C84 H80 F12 N4 O16 -","4","1","QA0448","Sato, Shoichi; Yamazaki, Takashi; Shinohara, Noriyasu; Kitazume, Tomoya","(<i>S</i>)-4-Benzyl-3-[(<i>R</i>)-4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2000","56","12","e592","e593","10.1107/S0108270100015717","","","0.7107","MoKα","","","0.0483","","","","0.1371","","","","","","1.998","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011662","7.47","0.001","14.681","0.002","27.079","0.004","90","","90","","90","","2969.7","0.7","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","alpha-Onocerin","8(26),14(27)-Onoceradiene-3,21-diol","","- C30.5 H50.5 Cl1.5 O2 -","- C30.5 H50.5 Cl1.5 O2 -","- C122 H202 Cl6 O8 -","4","1","SK1405","Fröhlich, Roland; Pauli, Guido F.","α-Onocerin chloroform hemisolvate","Acta Crystallographica Section C","2000","56","12","1476","1477","10.1107/S0108270100012403","","","1.54178","CuKα","","0.127","0.076","","","","0.228","","","","","","0.991","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011666","8.2214","0.0004","11.4293","0.0005","14.3861","0.0006","90","","90","","90","","1351.79","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Nitrophenyl-β-D-thiogalactopyranoside","","- C12 H15 N O7 S -","- C12 H15 N O7 S -","- C48 H60 N4 O28 S4 -","4","1","SK1419","Glidewell, Christopher; Low, John N.; Wardell, James L.","Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: 2-nitrophenyl-β-<small>D</small>-thiogalactopyranoside","Acta Crystallographica Section C","2000","56","12","1465","1467","10.1107/S0108270100012427","","","0.71073","MoKα","","0.03","0.027","","","","0.074","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011685","4.8355","0.0008","11.583","0.002","17.304","0.003","90","","90","","90","","969.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phenazine-2,3-diamine","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","BM1429","Doyle, Robert P.; Kruger, Paul E.; Mackie, Philip R.; Nieuwenhuyzen, Mark.","Phenazine-2,3-diamine","Acta Crystallographica Section C","2001","57","1","104","105","10.1107/S0108270100014712","","","0.71073","MoKα","","0.05","0.041","","","","0.1148","","","","","","1.046","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011725","9.2248","0.0005","17.6451","0.0015","30.282","0.003","90","","90","","90","","4929.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H69 Cl3 O7 -","- C51 H69 Cl3 O7 -","- C204 H276 Cl12 O28 -","4","1","NA1482","Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo","A 1:1:1 chloroform/tetrahydrofuran solvate of <i>p</i>-<i>tert</i>-butyltetrahomodioxacalix[4]arene","Acta Crystallographica Section C","2001","57","1","70","71","10.1107/S0108270100013329","","","0.71073","MoKα","","0.1356","0.0775","","","","0.213","","","","","","0.96","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2011726","12.373","0.002","31.939","0.002","11.064","0.002","90","","90","","90","","4372.3","1.1","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H68 O11 -","- C43 H68 O11 -","- C172 H272 O44 -","4","1","NA1483","Allen, Paul; Brimble, Margaret A.; Turner, Peter","Polyether antibiotic CP44,161","Acta Crystallographica Section C","2001","57","1","95","96","10.1107/S0108270100013950","","","0.71069","MoKα","","0.1518","0.0387","","","","0.1258","","","","","","0.942","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011748","7.474","0.003","15.262","0.006","15.87","0.008","90","","90","","90","","1810.3","1.4","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nodosin","Nodosin","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","BM1432","Cox, Philip J.; Meng, Yanhui; Sarker, Satyajit D.; Deng, Qinying; Xu, Guo","Nodosin","Acta Crystallographica Section C","2001","57","2","203","204","10.1107/S0108270100017406","","","0.71073","MoKα","","0.0885","0.047","","","","0.103","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011783","8.141","0.002","13.7976","0.0016","21.852","0.002","90","","90","","90","","2454.6","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Br2 O5 -","- C26 H26 Br2 O5 -","- C104 H104 Br8 O20 -","4","1","BJ1007","Sim, Wonbo; Lee, Jai Young; Kim, Jong Seung; Kim, Jin-Gyu; Suh, Il-Hwan","6,7-Bis(bromomethyl)-2,11,18,21,24-pentaoxatetracyclo[23.4.0.0^4,9^.0^12,17^]nonacosa-1(25),4(9),5,7,12(17),13,15,26,28-nonaene","Acta Crystallographica Section C","2001","57","3","293","294","10.1107/S0108270100018473","","","0.71073","MoKα","","0.1832","0.0641","","","","0.1232","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011829","9.9411","0.0016","18.0364","0.0014","7.3758","0.0018","90","","90","","90","","1322.5","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","maílione","","","- C14 H19 Br O2 -","- C14 H19 Br O2 -","- C56 H76 Br4 O8 -","4","1","SX1116","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Davyt, Danilo; Fernández, Rafael; Manta, Eduardo","Two natural products from the algae <i>Laurencia scoparia</i>","Acta Crystallographica Section C","2001","57","3","286","288","10.1107/S0108270100017935","","","0.71069","MoKα","","0.115","0.044","","","","0.128","","","","","","0.936","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011830","11.872","0.005","11.897","0.004","21.575","0.004","90","","90","","90","","3047.3","1.7","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","isorigidol","","","- C15 H23 Br O2 -","- C15 H23 Br O2 -","- C120 H184 Br8 O16 -","8","2","SX1116","Suescun, Leopoldo; Mombrú, Alvaro W.; Mariezcurrena, Raúl A.; Davyt, Danilo; Fernández, Rafael; Manta, Eduardo","Two natural products from the algae <i>Laurencia scoparia</i>","Acta Crystallographica Section C","2001","57","3","286","288","10.1107/S0108270100017935","","","0.71069","MoKα","","0.117","0.034","","","","0.094","","","","","","0.941","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011848","8.22","0.003","9.365","0.003","17.89","0.003","90","","90","","90","","1377.2","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Br F N2 O3 -","- C12 H14 Br F N2 O3 -","- C48 H56 Br4 F4 N8 O12 -","4","1","BK1579","Belin, Renaud; Tillard, Monique; Maurel, Jean-Louis; Ribet, Jean-Paul","Absolute configuration of (+)-(<i>S</i>)-2-(5-fluoro-2-methoxy-1,4-benzodioxan-2-yl)imidazolinium bromide","Acta Crystallographica Section C","2001","57","4","483","484","10.1107/S0108270101000981","","","0.71069","MoKα","","0.0881","0.0385","","","","0.096","","","","","","0.968","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2011861","9.433","0.0012","25.266","0.003","27.258","0.004","90","","90","","90","","6496.5","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(tren)(DL-ile)](ClO~4~)~2~","trans-(DL-Isoleucinato-N,O)[tris(2-aminoethyl)amine-κ^4^N]cobalt(III) diperchlorate","","- C12 H30 Cl2 Co N5 O10 -","- C12 H30 Cl2 Co N5 O10 -","- C144 H360 Cl24 Co12 N60 O120 -","12","3","DA1160","Cai, Jiwen; Hu, Xiaopeng; Chen, Cai-Hong; Ji, Liang-Nian","<i>trans</i>-(<small>DL</small>-Isoleucinato-<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>]cobalt(III) diperchlorate","Acta Crystallographica Section C","2001","57","4","394","396","10.1107/S0108270101001548","","","0.71073","MoKα","","0.062","0.046","","","","0.125","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2011871","8.6663","0.0009","9.671","0.003","15.47","0.004","90","","90","","90","","1296.6","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","FG1617","Ellis, Dianne D.; Spek, Anthony L.","(3<i>R</i>,4a<i>S</i>,5<i>R</i>)-3-Hydroxy-5-isopropenyl-3,8-dimethyl-4,4a,5,6-tetrahydro-2(3<i>H</i>)-naphthalenone","Acta Crystallographica Section C","2001","57","4","497","498","10.1107/S0108270101002049","","","0.71073","MoKα","","0.0491","0.0395","","","","0.1002","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011893","6.5843","0.0005","10.404","0.0007","22.3443","0.0012","90","","90","","90","","1530.65","0.18","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5S,9S,17S)-9(10\ρightarrow5)-abeo-4,5-dihydroestrene-17-hydroxy-3,10-dione","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","NA1501","Pilati, Tullio; Casalone, Gianluigi","Two 17-hydroxy-9(10→5)-<i>abeo</i>-estr-4-ene-3,10-diones","Acta Crystallographica Section C","2001","57","4","495","496","10.1107/S0108270101001767","","","0.71073","MoKα","","0.0426","0.0345","","","","0.0861","","","","","","0.979","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011894","6.6278","0.0005","11.1491","0.0009","21.1609","0.0019","90","","90","","90","","1563.7","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5R,9R,17S)-9(10\ρightarrow5)-abeo-4,5-dihydroestrene-17-hydroxy-3,10-dione","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","NA1501","Pilati, Tullio; Casalone, Gianluigi","Two 17-hydroxy-9(10→5)-<i>abeo</i>-estr-4-ene-3,10-diones","Acta Crystallographica Section C","2001","57","4","495","496","10.1107/S0108270101001767","","","0.71073","MoKα","","0.065","0.0393","","","","0.0915","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011902","8.558","0.003","12.989","0.003","24.991","0.005","90","","90","","90","","2778","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H22 Cl Fe N2 O2 S2 -","- C34 H22 Cl Fe N2 O2 S2 -","- C136 H88 Cl4 Fe4 N8 O8 S8 -","4","1","SK1428","Elmali, Ayhan; Elerman, Yalc̨ın; Svoboda, Ingrid","{Bis[2-(2-oxido-1-naphthylmethylideneamino)phenyl] disulfide}chloroiron(III)","Acta Crystallographica Section C","2001","57","4","375","376","10.1107/S0108270101000038","","","0.71073","MoKα","","0.029","0.024","","","","0.067","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011927","9.675","0.019","12.704","0.019","15.606","0.015","90","","90","","90","","1918","5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2R)-N-[5-(4-fluoro-phenyl)-6H-1,3,4-thiadiazin-2-yl]-2- [(phenylsulfonyl)amino]propanamide","","- C18 H17 F N4 O3 S2 -","- C18 H17 F N4 O3 S2 -","- C72 H68 F4 N16 O12 S8 -","4","1","AV1070","Schröder, Jörg; Wenzel, Herbert; Stammler, Hans-Georg; Stammler, Anja; Neumann, Beate; Tschesche, Harald","Novel heterocyclic inhibitors of matrix metalloproteinases: three 6<i>H</i>-1,3,4-thiadiazines","Acta Crystallographica Section C","2001","57","5","593","596","10.1107/S0108270101002372","","","0.71073","MoKα","","0.06","0.049","","","","0.128","","","","","","1.011","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011931","7.197","0.004","47.756","0.002","5.076","0.003","90","","90","","90","","1744.6","1.4","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,17-Heptadecanediol","","","- C17 H36 O2 -","- C17 H36 O2 -","- C68 H144 O8 -","4","1","BJ1023","Nakamura, Naotake; Uno, Kenjiro; Ogawa, Yoshihiro","1,17-Heptadecanediol","Acta Crystallographica Section C","2001","57","5","585","586","10.1107/S010827010100213X","","","1.5418","CuKα","","0.0689","0.0435","","0.0615","","0.0541","","","1.362","","","1.459","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2011939","8.528","0.005","20.668","0.008","6.5438","0.0015","90","","90","","90","","1153.4","0.9","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O8 -","- C9 H13 N O8 -","- C36 H52 N4 O32 -","4","1","BK1582","Kashino, Setsuo; Fukunaga, Takeo; Izutsu, Hironobu; Miyashita, Shiho","Hydrogen-bonded complexes of 2-pyridone with centrosymmetric and non-centrosymmetric dicarboxylic acids","Acta Crystallographica Section C","2001","57","5","627","631","10.1107/S0108270101002839","","","0.71073","MoKα","","0.047","0.044","","0.046","","0.044","","","1.8","","","1.81","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011951","7.6541","0.0002","11.0918","0.0003","17.599","0.0005","90","","90","","90","","1494.12","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Phenylalanyl-L-alanine dihydrate","","- C12 H20 N2 O5 -","- C12 H20 N2 O5 -","- C48 H80 N8 O20 -","4","1","DA1163","Görbitz, Carl Henrik","<small>L</small>-Phenylalanyl-<small>L</small>-alanine dihydrate","Acta Crystallographica Section C","2001","57","5","575","576","10.1107/S010827010100155X","","","0.71073","MoKα","","0.0444","0.0348","","","","0.0895","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011958","8.0796","0.0004","10.197","0.0007","13.7534","0.0009","90","","90","","90","","1133.11","0.12","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-dimethoxy-11-oxatricyclo[6.2.1.0^2,7^]undeca-4,9-diene-3,6-diol","","- C12 H16 O5 -","- C12 H16 O5 -","- C48 H64 O20 -","4","1","DA1175","Zukerman-Schpector, J.; Caracelli, I.; Vega, Mauricio; Constantino, Mauricio Gomes; Beatriz, Adilson; da Silva, Gil Valdo","Two polycyclic compounds derived from a Diels‒Alder reaction","Acta Crystallographica Section C","2001","57","5","646","648","10.1107/S0108270101003365","","","0.71073","MoKα","","0.034","0.028","","0.073","","0.071","","","1.054","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2011980","6.959","0.001","8.564","0.001","18.734","0.003","90","","90","","90","","1116.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-Aza-1,3dideaza-2'-deoxyadenosine","4-amino-1-(2-deoxy-β-D-erythro-pentofuranosyl) -1H-benzotriazole","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","JZ1443","Seela, Frank; He, Yang; Reuter, Hans; Heithoff, Eva-Maria","The high-<i>anti</i> conformation of 8-aza-1,3-dideaza-2'-deoxyadenosine","Acta Crystallographica Section C","2001","57","5","660","662","10.1107/S0108270101004152","","","0.71073","MoKα","","0.0455","0.0412","","","","0.1126","","","","","","1.098","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2011982","8.3162","0.0002","11.2384","0.0003","20.408","0.0005","90","","90","","90","","1907.35","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(1-Phenylsulfonylindol-2-yl-methyl)-N-methylaniline","","- C22 H20 N2 O2 S -","- C22 H20 N2 O2 S -","- C88 H80 N8 O8 S4 -","4","1","NA1496","Sankaranarayanan, R.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Narasinga Rao, S.; Kannadasan, S.; Srinivasan, P.C.","<i>N</i>-Methyl-<i>N</i>-(1-phenylsulfonylindol-2-ylmethyl)aniline","Acta Crystallographica Section C","2001","57","5","569","571","10.1107/S010827010100097X","","","0.71073","MoKα","","0.0644","0.0405","","","","0.1186","","","","","","0.91","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012080","8.5979","0.0009","10.109","0.001","18.9828","0.0018","90","","90","","90","","1649.9","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","FG1630","Clark, Robert W.; Guzei, Ilia A.; Ivanov, Sergei A.; Burke, Steven D.; Lambert, William T.","The lack of <i>C</i>2 molecular symmetry in (1<i>R</i>,2<i>R</i>,3<i>S</i>,6<i>S</i>)-3,6-dibenzyloxycyclohex-4-ene-1,2-diol","Acta Crystallographica Section C","2001","57","7","844","845","10.1107/S0108270101006199","","","0.71073","MoKα","","0.0393","0.0329","","","","0.079","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012109","5.183","0.0005","15.22","0.003","29.63","0.01","90","","90","","90","","2337.4","0.9","295","3","295","3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N'-oxalyl-bis(L-phenylalanine amide) dymethylsuphoxide solvate","","- C22 H28 N4 O5 S -","- C20 H22 N4 O4 -","- C80 H88 N16 O16 -","4","1","SK1478","Perić, Berislav; Makarević, Janja; Jokić, Milan; Kojić-Prodić, Biserka; Žinić, Mladen","Intermolecular contacts in the crystal packing of 2,2'-(<i>N</i>,<i>N</i>'-oxalyldiimino)bis(3-phenylpropanamide) dimethyl sulfoxide solvate","Acta Crystallographica Section C","2001","57","7","865","867","10.1107/S0108270101007041","","","1.54178","CuKα","","0.0828","0.0431","","","","0.12","","","","","","1.008","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012113","7.0958","0.0013","16.05","0.003","16.856","0.004","90","","90","","90","","1919.7","0.7","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-bromo-4β,6-dihydro-1β-isopropyl-4α-methoxycarbonyl-3aα,8- dimethylcyclopenta[a-1a,3a,4,5-tetrahydronaphthalen-5-one]","","- C20 H25 Br O5 -","- C20 H25 Br O5 -","- C80 H100 Br4 O20 -","4","1","BK1599","Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Wellington, Keri D.","Hamigerin A and a hamigerin D decomposition product","Acta Crystallographica Section C","2001","57","8","958","960","10.1107/S0108270101007442","","","0.71073","MoKα","","0.0476","0.0404","","","","0.1071","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012146","9.325","0.001","9.662","0.001","15.619","0.002","90","","90","","90","","1407.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-methoxy-3-[1(2-hydroxyethylamine)ethylidene]-2,3-dihydro-2,4-dioxo- 2λ^5^-benzo[e][1,2]oxaphosphinane","","- C13 H16 N O5 P -","- C13 H16 N O5 P -","- C52 H64 N4 O20 P4 -","4","1","NA1518","Małecka, Magdalena; Budzisz, Elżbieta","Investigations on benz[1,2]oxaphosphinane derivatives","Acta Crystallographica Section C","2001","57","8","929","931","10.1107/S0108270101006734","","","1.54178","CuKα","","0.0853","0.0636","","","","0.1574","","","","","","1.225","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012147","11.071","0.001","16.19","0.002","8.49","0.001","90","","90","","90","","1521.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-methyl-2-methoxy-3-[1(2-hydroxyethylamine)ethylidene]-2,3-dihydro-2,4-dioxo- 2λ^5^-benzo[e][1,2]oxaphosphinane","","- C14 H18 N O5 P -","- C14 H18 N O5 P -","- C56 H72 N4 O20 P4 -","4","1","NA1518","Małecka, Magdalena; Budzisz, Elżbieta","Investigations on benz[1,2]oxaphosphinane derivatives","Acta Crystallographica Section C","2001","57","8","929","931","10.1107/S0108270101006734","","","1.54178","CuKα","","0.041","0.0336","","","","0.0965","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012154","7.726","0.002","8.057","0.003","14.352","0.006","90","","90","","90","","893.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diisopropylammonium hydrogen difluoroide","","- C6 H17 F2 N -","- C6 H17 F2 N -","- C24 H68 F8 N4 -","4","1","NA1527","Reiss, Guido J.","Diisopropylammonium hydrogen difluoride","Acta Crystallographica Section C","2001","57","8","994","995","10.1107/S0108270101008836","","","0.71073","MoKα","","0.04","0.0298","","","","0.0709","","","","","","1.011","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012166","6.887","0.0014","12.851","0.003","22.462","0.005","90","","90","","90","","1988","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Z-Pro-D-Leu","N-benzyloxycarbonyl-prolyl-D-leucine","","- C19 H26 N2 O5 -","- C19 H26 N2 O5 -","- C76 H104 N8 O20 -","4","1","SX1122","Birkedal, Henrik; Schwarzenbach, Dieter; Pattison, Philip","<i>N</i>-Z-Pro‒<small>D</small>-Leu using synchrotron radiation data from a very small crystal","Acta Crystallographica Section C","2001","57","8","975","977","10.1107/S0108270101008319","","","0.8008","synchrotron","","0.0448","0.0364","","","","0.1044","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012193","12.329","0.01","20.245","0.01","31.691","0.01","90","","90","","90","","7910","8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Amphisin tetrahydrate","R-β-hydroxydecanoyl-D-Leu-D-Asp-D-allo-Thr-D-Leu-D-Leu-D-Ser-L-Leu- D-Gln-L-Leu-L-Ile-L-Asp tetrahydrate","","- C66 H122 N12 O24 -","- C66 H116 N12 O24 -","- C264 H464 N48 O96 -","4","1","DA1195","Sørensen, Dan; Nielsen, Tommy H.; Christophersen, Carsten; Sørensen, Jan; Gajhede, Michael","Cyclic lipoundecapeptide amphisin from <i>Pseudomonas</i> sp. strain DSS73","Acta Crystallographica Section C","2001","57","9","1123","1124","10.1107/S0108270101010782","","","0.71075","MoKα","","0.0566","0.0437","","","","0.1571","","","","","","0.863","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2012194","7.3677","0.0009","10.054","0.001","16.834","0.002","90","","90","","90","","1247","0.2","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","DA1198","Zukerman-Schpector, J.; Vega, Mauricio; Caracelli, I.; Dias, Luiz C.; Fernandes, Anna M. A. P.","Two intermediates in the synthesis of decahydroisoquinolines with NMDA and AMPA receptor antagonist activity","Acta Crystallographica Section C","2001","57","9","1089","1091","10.1107/S0108270101009702","","","0.71073","MoKα","","0.1248","0.037","","0.1314","","0.1031","","","0.984","","","0.984","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012224","5.639","0.003","15.073","0.008","21.113","0.007","90","","90","","90","","1794.5","1.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","SK1479","Drouard, David; Py, Sandrine; Averbuch, Marie-Thérèse; Philouze, Christian; Vallée, Yannick","(1<i>S</i>)-(<i>Z</i>)-2-Benzyloxy-<i>N</i>-(3-methyl-1-butylidene)-1-phenylethylamine <i>N</i>-oxide","Acta Crystallographica Section C","2001","57","9","1079","1080","10.1107/S0108270101009477","","","0.71073","MoKα","","0.0556","0.0556","","0.0397","","0.0397","","","1.995","","","1.995","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012227","8.8407","0.0001","10.5562","0.0001","28.2974","0.0004","90","","90","","90","","2640.83","0.05","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-O-acetyl-4-deoxy-4-iodo-β-D-fructofuranosyl 2,3,6-tri-O-acetyl-4-chloro-4-deoxy-α-D-glucopyranoside","","- C20 H28 Cl I O13 -","- C20 H28 Cl I O13 -","- C80 H112 Cl4 I4 O52 -","4","1","SK1489","Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S.","3-<i>O</i>-Acetyl-4-deoxy-4-iodo-β-<small>D</small>-fructofuranosyl 2,3,6-tri-<i>O</i>-acetyl-4-chloro-4-deoxy-α-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2001","57","9","1098","1100","10.1107/S0108270101009994","","","0.71073","MoKα","","0.0443","0.0347","","","","0.076","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012264","10.5743","0.0007","20.941","0.017","23.69","0.02","90","","90","","90","","5246","6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O -","- C29 H46 O -","- C232 H368 O8 -","8","2","GG1052","Boer, D. Roeland; Kooijman, Huub; Groen, Marinus; van der Louw, Jaap; Kelder, Jan; Kroon, Jan","Conformational comparison of five follicular fluid meiosis-activating sterol-related active and inactive compounds","Acta Crystallographica Section C","2001","57","10","1177","1181","10.1107/S0108270101010010","","","0.71073","MoKα","","0.0938","0.0511","","","","0.1118","","","","","","1.012","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2012295","5.273","0.001","15.443","0.004","16.55","0.006","90","","90","","90","","1347.7","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,8-Trimethoxy-9H-xanthen-9-one","","- C16 H14 O5 -","- C16 H14 O5 -","- C64 H56 O20 -","4","1","BM1457","Gales, Luis; Sousa, Maria Emilia de; Pinto, Madalena M. M.; Kijjoa, Anake; Damas, Ana M.","Naturally occurring 1,2,8-trimethoxyxanthone and biphenyl ether intermediates leading to 1,2-dimethoxyxanthone","Acta Crystallographica Section C","2001","57","11","1319","1323","10.1107/S010827010101349X","","","0.71073","MoKα","","0.049","0.042","","","","0.108","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012306","22.469","0.005","4.6467","0.0009","16.501","0.003","90","","90","","90","","1722.8","0.6","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O8 -","- C18 H18 O8 -","- C72 H72 O32 -","4","1","DA1200","Zhang, Fuyi; Du, Chen-xia; Liu, Hong-Min; Zhu, Yu","A novel glycoside lactone derivative with a 2-C-unsaturated diester substituent","Acta Crystallographica Section C","2001","57","11","1361","1362","10.1107/S0108270101015505","","","0.71073","MoKα","","0.0708","0.0536","","","","0.1031","","","","","","1.129","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012319","6.984","0.001","15.088","0.002","23.217","0.002","90","","90","","90","","2446.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4,5,7-tetranitrofluoren-9-one bis(chlorobenzene) solvate","","- C25 H14 Cl2 N4 O9 -","- C25 H14 Cl2 N4 O9 -","- C100 H56 Cl8 N16 O36 -","4","1","GG1068","Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Howard, Judith A. K.","Cocrystals of 2-(2,4,5,7-tetranitrofluoren-9-ylidene)propanedinitrile and 2,4,5,7-tetranitrofluoren-9-one with chlorobenzene","Acta Crystallographica Section C","2001","57","11","1299","1302","10.1107/S0108270101011556","","","0.71073","MoKα","","0.142","0.076","","","","0.15","","","","","","1.255","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012349","10.4516","0.0001","11.3466","0.0001","12.5599","0.0001","90","","90","","90","","1489.48","0.02","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-bromo-4-deoxysucrose","","- C12 H21 Br O10 -","- C12 H21 Br O10 -","- C48 H84 Br4 O40 -","4","1","SK1519","Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S.","Two halodeoxy sucrose analogues","Acta Crystallographica Section C","2001","57","11","1363","1366","10.1107/S0108270101017644","","","0.71073","MoKα","","0.0183","0.0173","","","","0.0424","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012350","7.6133","0.0001","9.4705","0.0001","23.2227","0.0002","90","","90","","90","","1674.4","0.03","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1',6'-dibromo-4-fluoro-4,1',6'-trideoxysucrose monohydrate","","- C12 H21 Br2 F O9 -","- C12 H21 Br2 F O9 -","- C48 H84 Br8 F4 O36 -","4","1","SK1519","Linden, Anthony; Lee, C. Kuan; Muhammad Sofian, A. S.","Two halodeoxy sucrose analogues","Acta Crystallographica Section C","2001","57","11","1363","1366","10.1107/S0108270101017644","","","0.71073","MoKα","","0.0275","0.0241","","","","0.0606","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012351","10.44","0.002","27.647","0.005","8.012","0.002","90","","90","","90","","2312.5","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N^1^,N^1^-Diethyl-N^2^-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)acetamidine","","- C20 H32 N2 O9 -","- C20 H32 N2 O9 -","- C80 H128 N8 O36 -","4","1","SX1111","Diánez, María Jesús; Estrada, María Dolores; López-Castro, Amparo; Pérez-Garrido, Simeón","<i>N</i>^1^,<i>N</i>^1^-Diethyl-<i>N</i>^2^-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)acetamidine","Acta Crystallographica Section C","2001","57","11","1297","1298","10.1107/S0108270101011465","","","0.71069","MoKα","","0.103","0.069","","","0.182","","","","1.118","1.099","1.099","","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012355","6.8622","0.0002","10.8244","0.0001","12.3446","0.0003","90","","90","","90","","916.95","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Cerbinal","Methyl 1-formyl-6-oxa-6H-indene-4-carboxylate","","- C11 H8 O4 -","- C11 H8 O4 -","- C44 H32 O16 -","4","1","TA1345","Laphookhieo, Surat; Karalai, Chatchanok; Chantrapromma, Suchada; Fun, Hoong-Kun; Usman, Anwar; Rat-a-pa, Yanisa; Chantrapromma, Kan","Atomic charges of cerbinal","Acta Crystallographica Section C","2001","57","11","1352","1353","10.1107/S0108270101014317","","","0.71073","MoKα","","0.0782","0.0561","","","","0.1446","","","","","","1.007","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012377","8.416","0.0003","12.3127","0.0005","14.7039","0.0004","90","","90","","90","","1523.67","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,5,6,7,8-Hexahydro-6,8-methano-7,7,8a-trimethyl-3-(1-methyl-2- oxopropylidene)-5H-1,4-benzoxazin-2-one","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C64 H84 N4 O12 -","4","1","GD1165","Rolland, Marc; Kassem, Tarek; Rolland, Valérie; Martinez, Jean","Full stereochemical understanding in a new (2<i>R</i>,3<i>R</i>,4<i>R</i>)-4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2001","57","12","1415","1417","10.1107/S0108270101014597","","","0.71073","MoKα","","0.041","0.038","","","0.098","0.1","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012378","10.2905","0.0003","11.8864","0.0005","12.8317","0.0005","90","","90","","90","","1569.54","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,5,6,7,8-Hexahydro-3-(2-hydroxy-1-methylpropyl)-6,8-methano-7,7,8a- trimethyl-5H-1,4-benzoxazin-2-one","","- C16 H25 N O3 -","- C16 H25 N O3 -","- C64 H100 N4 O12 -","4","1","GD1165","Rolland, Marc; Kassem, Tarek; Rolland, Valérie; Martinez, Jean","Full stereochemical understanding in a new (2<i>R</i>,3<i>R</i>,4<i>R</i>)-4-hydroxyisoleucine synthesis","Acta Crystallographica Section C","2001","57","12","1415","1417","10.1107/S0108270101014597","","","0.71073","MoKα","","0.041","0.038","","","0.098","0.1","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012379","14.977","0.002","19.832","0.007","11.326","0.002","90","","90","","90","","3364.1","1.4","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","ethyl 2-deoxy-4,5,6,8-tetra-O-benzyl-α-D-galacto-3,7-pyranoso-3-octulosonate","","- C38 H42 O8 -","- C38 H42 O8 -","- C152 H168 O32 -","4","1","GG1083","Linden, Anthony; Li, Xianfeng; Lee, C. Kuan","Two ethyl 2-deoxy-α-<small>D</small>-hexo-3,7-pyranoso-3-octulosonate derivatives","Acta Crystallographica Section C","2001","57","12","1418","1420","10.1107/S0108270101014974","","","0.71069","MoKα","","0.075","0.042","","","0.093","0.103","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012387","10.304","0.002","19.557","0.006","6.4387","0.0013","90","","90","","90","","1297.5","0.5","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl N2 O5 -","- C11 H13 Cl N2 O5 -","- C44 H52 Cl4 N8 O20 -","4","1","OB1046","Ishida, Hiroyuki; Rahman, Bilkish; Kashino,Setsuo","Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate","Acta Crystallographica Section C","2001","57","12","1450","1453","10.1107/S0108270101016389","","","0.71073","MoKα","","0.14","0.053","","","0.062","0.075","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012457","11.8264","0.0009","14.2158","0.0009","16.8109","0.0012","90","","90","","90","","2826.3","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(4'-pyridyl)ethene‒1,1,1-tris(4-hydroxyphenyl)ethane‒methanol (1/1/1)","","- C33 H32 N2 O4 -","- C33 H32 N2 O4 -","- C132 H128 N8 O16 -","4","1","SK1516","Zakaria, Choudhury M; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of 1,1,1-tris(4-hydroxyphenyl)ethane with 1,2-bis(4-pyridyl)ethane and 1,2-bis(4-pyridyl)ethene: continuously interwoven structures in three dimensions","Acta Crystallographica Section C","2002","58","1","o1","o5","10.1107/S0108270101017139","","","0.71073","MoKα","","0.1006","0.0566","","","0.1226","0.1486","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012477","7.8072","0.0005","11.0636","0.0008","17.9361","0.0009","90","","90","","90","","1549.24","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diaquabis ((R,R)-tartrato-O^1^,O^2^:O^3^,O^4^)dinickel(II) Trihydrate","","- C8 H18 Ni2 O17 -","- C8 H18 Ni2 O17 -","- C32 H72 Ni8 O68 -","4","1","AV1097","Scherb, Sandra; Näther, Christian; Bensch, Wolfgang","Diaquabis[μ-(<i>R</i>,<i>R</i>)-tartrato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^4^]dinickel(II) trihydrate","Acta Crystallographica Section C","2002","58","2","m135","m136","10.1107/S0108270101021059","","","0.71073","MoKα","","0.0243","0.0238","","","0.0627","0.063","","","","","","1.055","","","","has coordinates,has Fobs","198633","2020-10-21","18:00:00",""
"2012494","7.2389","0.0014","11.2125","0.0014","12.7427","0.0015","90","","90","","90","","1034.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1R,3S-camphoramic acid","3-aminocarbonyl-1,2,2-trimethylcyclopentane-1-carboxylic acid","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","FR1358","Nie, Jing-Jing; Xu, Duan-Jun; Hu, Zi-Qiang; Xu, Yuan-Zhi; Wu, Jing-Yun; Chiang, Michael Y.","(1<i>R</i>,3<i>S</i>)-Camphoramic acid","Acta Crystallographica Section C","2002","58","2","o106","o107","10.1107/S0108270101020819","","","0.71069","MoKα","","0.048","0.04","","0.116","","0.111","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012506","7.2419","0.0005","9.7619","0.0008","17.7469","0.0016","90","","90","","90","","1254.61","0.18","180","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Cl2 O3 -","- C11 H16 Cl2 O3 -","- C44 H64 Cl8 O12 -","4","1","JZ1483","Ziyat, Hossni; Ait Itto, My Youssef; Ait Ali, Mustapha; Karim, Abdellah; Riahi, Abdelkhalek; Daran, Jean-Claude","Stereochemistry of two new polyfunctionalized <i>gem</i>-dihalocyclopropanes","Acta Crystallographica Section C","2002","58","2","o90","o93","10.1107/S0108270101019680","","","0.71073","MoKα","","0.0277","0.0237","","","0.0576","0.059","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012507","7.4006","0.0005","9.7511","0.001","18.0171","0.0013","90","","90","","90","","1300.19","0.19","180","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Br2 O3 -","- C11 H16 Br2 O3 -","- C44 H64 Br8 O12 -","4","1","JZ1483","Ziyat, Hossni; Ait Itto, My Youssef; Ait Ali, Mustapha; Karim, Abdellah; Riahi, Abdelkhalek; Daran, Jean-Claude","Stereochemistry of two new polyfunctionalized <i>gem</i>-dihalocyclopropanes","Acta Crystallographica Section C","2002","58","2","o90","o93","10.1107/S0108270101019680","","","0.71073","MoKα","","0.0465","0.037","","","0.0869","0.0956","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012547","8.931","0.002","12.338","0.002","17.779","0.003","90","","90","","90","","1959.1","0.6","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ginkgolide A monohydrate","(1R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS) 3- (1,1dimethylethyl)hexahydro-4,7b-dihydroxy-8-methyl-9H-1,7a- (epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3b]furo[3',2':3,4] cyclopenta[1,2-d]furan-5,9,12(4H)-trione monohydrate","","- C20 H26 O10 -","- C20 H26 O10 -","- C80 H104 O40 -","4","1","BK1627","Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Three ginkgolide hydrates from <i>Ginkgo biloba</i> L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K","Acta Crystallographica Section C","2002","58","3","o195","o198","10.1107/S0108270102000689","","","0.71073","MoKα","","0.036","0.032","","","0.08","0.083","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012549","11.403","0.002","12.95","0.003","13.646","0.003","90","","90","","90","","2015.1","0.7","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ginkgolide J dihydrate","(1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11aS) 3-(1,1-dimethylethyl) hexahydro-2,4,7b-trihydroxy-8-methyl-9H-1,7a-(epoxymethano)-1H, 6aH-cyclopenta[c]furo[2,3-b]furo[3',2':3,4]cyclopenta[1,2-d] furan-5,9,12(4H)-trione dihydrate","","- C20 H28 O12 -","- C20 H28 O12 -","- C80 H112 O48 -","4","1","BK1627","Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.","Three ginkgolide hydrates from <i>Ginkgo biloba</i> L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K","Acta Crystallographica Section C","2002","58","3","o195","o198","10.1107/S0108270102000689","","","0.71073","MoKα","","0.031","0.029","","","0.073","0.074","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012567","6.537","0.001","8.95","0.001","51.128","0.009","90","","90","","90","","2991.3","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-cyano-3,12-dioxooleana-1,9(11)-diene-28-oate","","- C33 H49 N O6 -","- C33 H49 N O6 -","- C132 H196 N4 O24 -","4","1","FR1352","Bore, Lothar; Honda, Tadashi; Gribble, Gordon W.; Lork, Enno; Jasinski, Jerry P.","The anti-inflammatory triterpenoid methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate methanol solvate hydrate","Acta Crystallographica Section C","2002","58","3","o199","o200","10.1107/S010827010102176X","","","0.71073","MoKα","","0.105","0.07","","","0.183","0.2112","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012581","4.9211","0.0001","13.3792","0.0002","20.5881","0.0004","90","","90","","90","","1355.53","0.04","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,5'-cyclowyosine.H~2~O","4,5'-cyclo-3-β-D-ribofuranosyl- 4,9-dihydro-6-methyl-9-oxoimidazo[1,2-a]purine hydrate","","- C13 H15 N5 O5 -","- C13 H15 N5 O5 -","- C52 H60 N20 O20 -","4","1","JZ1488","Leban, Ivan; Golankiewicz, Boženna; Zeidler, Joanna; Giester, Gerald; Kobe, Jože","3,4-Dihydro-6-methyl-3-β-<small>D</small>-ribofuranosyl-4,5'-cyclo-9<i>H</i>-imidazo[1,2-<i>a</i>]purin-9-one hydrate","Acta Crystallographica Section C","2002","58","3","o133","o135","10.1107/S0108270101021904","","","0.71073","MoKα","","0.0383","0.0343","","","0.078","0.0799","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012604","36.426","0.009","9.141","0.001","6.281","0.002","90","","90","","90","","2091.4","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Methoxy-17α-hydroxy-17β-benzylestra-1,3,5(10)-trien-16-one","","- C26 H30 O3 -","- C26 H30 O3 -","- C104 H120 O12 -","4","1","SK1521","Stanković, Slobodanka; Lazar, Dušan; Medić-Mijačević, Ljubica; Penov-Gaši, Katarina; Sakač, Marija; Andrić, Silvana; Milenko, Bruvo","<small>D</small>-Secoestrone derivatives. VI. 17β-Benzyl-17α-hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one","Acta Crystallographica Section C","2002","58","3","o172","o173","10.1107/S0108270101020807","","","1.5418","CuKα","","0.055","0.047","","","0.117","0.125","","","","","","1.024","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012606","13.716","0.003","14.103","0.003","6.214","0.004","90","","90","","90","","1202","0.9","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-cis-3-trans-3-Ethyl-2,6,6-trimethyl-4-oxocyclohexanecarboxylic acid","","- C12 H20 O3 -","- C12 H20 O3 -","- C48 H80 O12 -","4","1","SK1530","Xie, Songwen; Hou, Yuqing; Meyers, Cal Y.; Robinson, Paul D.","<i>trans</i>-3-Ethyl-<i>cis</i>-2,6,6-trimethyl-4-oxocyclohexanecarboxylic acid: an intermediate in the synthesis of a highly potent estrogen","Acta Crystallographica Section C","2002","58","3","o159","o161","10.1107/S0108270102000252","","","0.71069","MoKα","","0.062","0.034","","","0.081","0.092","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012656","8.2573","0.0002","10.2229","0.0002","17.6996","0.0005","90","","90","","90","","1494.09","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[triphenyltin(IV)]-μ-hydroxo-κ^2^O:O]","","- C18 H16 O Sn -","- C18 H16 O Sn -","- C72 H64 O4 Sn4 -","4","1","SK1536","Glidewell, Christopher; Low, John N.; Bomfim, João A. S.; Filgueiras, Carlos A. L.; Wardell, James L.","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-hydroxo-κ^2^<i>O</i>:<i>O</i>] at 120K","Acta Crystallographica Section C","2002","58","4","m199","m201","10.1107/S0108270102001798","","","0.71073","MoKα","","0.029","0.025","","","0.058","0.06","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012667","6.7599","0.0003","13.3609","0.0008","19.024","0.0005","90","","90","","90","","1718.22","0.14","122","1","122","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trans-Bis(cyano-κC)(1,4,8,11-tetraazacyclotetradecane-κ^4^N)manganese(III) perchlorate","","- C12 H24 Cl Mn N6 O4 -","- C12 H24 Cl Mn N6 O4 -","- C48 H96 Cl4 Mn4 N24 O16 -","4","1","TR1013","Mossin, Susanne; Sørensen, Henning Osholm; Weihe, Høgni","<i>trans</i>-Bis(cyano-κ<i>C</i>)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)manganese(III) perchlorate, a low-spin manganese(III) complex","Acta Crystallographica Section C","2002","58","4","m204","m206","10.1107/S0108270102001713","","","0.71073","MoKα","","0.072","0.058","","","0.148","0.159","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012678","14.139","0.001","18.739","0.001","24.473","0.002","90","","90","","90","","6484.1","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pseudophomin A","β-hydroxydecanoyl-L-Leu-D-Glu-D-allo-Thr-D-Ile-D-Leu-D-Ser-L-Leu- D-Ser-L-Ile","","- C55 H99 N9 O17 -","- C55 H99 N9 O17 -","- C220 H396 N36 O68 -","4","1","BK1644","Quail, J. Wilson; Ismail, Nargis; Pedras, M. Soledade C.; Boyetchko, Susan M.","Pseudophomins A and B, a class of cyclic lipodepsipeptides isolated from a <i>Pseudomonas</i> species","Acta Crystallographica Section C","2002","58","5","o268","o271","10.1107/S0108270102004432","","","1.54178","CuKα","","0.0356","0.0349","","","0.0913","0.092","","","","","","1.09","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012679","14.245","0.002","18.87","0.003","24.558","0.004","90","","90","","90","","6601.3","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pseudophomin B","β-hydroxydodecanoyl-L-Leu-D-Glu-D-allo-Thr-D-Ile-D-Leu-D-Ser-L-Leu- D-Ser-L-Ile","","- C57 H103 N9 O17 -","- C56.9992 H102.998 N9 O17 -","- C227.997 H411.99 N36 O68 -","4","1","BK1644","Quail, J. Wilson; Ismail, Nargis; Pedras, M. Soledade C.; Boyetchko, Susan M.","Pseudophomins A and B, a class of cyclic lipodepsipeptides isolated from a <i>Pseudomonas</i> species","Acta Crystallographica Section C","2002","58","5","o268","o271","10.1107/S0108270102004432","","","1.54178","CuKα","","0.0666","0.0504","","","0.123","0.1339","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2012715","4.5819","0.0006","10.0867","0.0013","18.087","0.002","90","","90","","90","","835.91","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 O4 P -","- C7 H9 O4 P -","- C28 H36 O16 P4 -","4","1","NA1560","Aragoni, M. Carla; Arca, Massimiliano; Blake, Alexander J.; Lippolis, Vito; Schröder, Martin; Wilson, Claire","4-Methoxyphenylphosphonic acid: reactivity of Lawesson's reagent","Acta Crystallographica Section C","2002","58","5","o260","o262","10.1107/S0108270102004547","","","0.71073","MoKα","","0.0616","0.0416","","","0.0881","0.0942","","","","","","0.939","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012753","7.962","0.003","8.249","0.004","18.931","0.009","90","","90","","90","","1243.4","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","FV-LAMAL","2-[(3-Furyl)(hydroxy)methyl]-2,3-dimethylcyclohexanone","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","FR1367","Esther García G.; Mendoza G., Virgilio; Guzmán-B., José Agustín; Graniel, Luis Angel Maldonado; Hernández-Ortega, Simón","2-[3-Furyl(hydroxy)methyl]-2,3-dimethylcyclohexanone","Acta Crystallographica Section C","2002","58","6","o336","o338","10.1107/S0108270102007527","","","0.71073","MoKα","","0.0845","0.0524","","","0.0891","0.0983","","","","","","0.988","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012755","9.346","0.002","11.413","0.002","19.493","0.004","90","","90","","90","","2079.2","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-t-butoxycarbonyl-N-methyl-(O-benzyl)-L-tyrosine","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","1","GD1196","Jankowska, Elżbieta; Gilski, Mirosław; Jaskólski, Mariusz; Grzonka, Zbigniew; Łankiewicz, Leszek","<i>O</i>-Benzyl-<i>N</i>-<i>tert</i>-butoxycarbonyl-<i>N</i>-methyl-<small>L</small>-tyrosine","Acta Crystallographica Section C","2002","58","6","o353","o354","10.1107/S0108270102007114","","","0.71073","MoKα","","0.0613","0.0479","","","0.105","0.1118","","","","","","1.341","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012757","6.568","0.001","13.282","0.003","20.801","0.005","90","","90","","90","","1814.6","0.7","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Kamebanin","rel-(-)-(1R,4R,8S,9R,10S,13S,16R)-2,8,16-trihydroxy-5,5,9-trimethyl-14- methylenetetracyclo[11.2.1.0^1,10^.0^4,9^]hexadecan-15-one","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","GD1200","Pan, Yuan Jiang; Shi, Hao","The natural diterpenoid kamebanin","Acta Crystallographica Section C","2002","58","6","o323","o324","10.1107/S0108270102007175","","","0.71073","MoKα","","0.0736","0.0447","","","0.0945","0.1048","","","","","","0.927","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012760","8.1517","0.0016","13.4955","0.0012","15.486","0.002","90","","90","","90","","1703.6","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-α-isosparteine copper(II) diazide","(Diazido-N)[(-)-α-isosparteine-N,N']copper(II)","","- C15 H26 Cu N8 -","- C15 H26 Cu N8 -","- C60 H104 Cu4 N32 -","4","1","GD1202","Kim, Bun-Joo; Lee, Yong-Min; Kim, Eun Hee; Kang, Sung Kwon; Choi, Sung-Nak","(‒)-α-Isosparteine copper(II) diazide","Acta Crystallographica Section C","2002","58","6","m361","m362","10.1107/S0108270102008016","","","0.71073","MoKα","","0.112","0.052","","","0.063","0.087","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012765","9.402","0.002","10.121","0.003","13.71","0.003","90","","90","","90","","1304.6","0.6","293","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H14 Cl2 N6 S2 Zn -","- C4 H14 Cl2 N6 S2 Zn -","- C16 H56 Cl8 N24 S8 Zn4 -","4","1","NA1563","Novaković, Sladjana B.; Tomić, Zoran D.; Jevtović, Violeta; Leovac, Vukadin M.","Transition metal complexes with thiosemicarbazide-based ligands. XLIII. Chlorobis(3-methylisothiosemicarbazide-κ^2^<i>N</i>^1^,<i>N</i>^4^)zinc(II) chloride","Acta Crystallographica Section C","2002","58","6","m358","m360","10.1107/S0108270102007564","","","0.71073","MoKα","","","0.065","","","","0.124","","","","","","0.976","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012769","7.681","0.0002","14.461","0.0003","14.619","0.0004","90","","90","","90","","1623.8","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","a precursor of a β-lactamase inhibitor","allyl (4S,8S,9R)-10-[(E)-ethylidene]-4-methoxy-11-oxo-1- azatricyclo[7.2.0.0^3,8^]undec-2-ene-2-carboxylate","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","NA1571","Leban, Ivan; Selič, Lovro; Mesar, Tomaž; Čopar, Anton; Šolmajer, Tom","Precursor of a β-lactamase inhibitor: allyl (4<i>S</i>,8<i>S</i>,9<i>R</i>)-10-[(<i>E</i>)-ethylidene]-4-methoxy-11-oxo-1-azatricyclo[7.2.0.0^3,8^]undec-2-ene-2-carboxylate","Acta Crystallographica Section C","2002","58","6","o367","o369","10.1107/S010827010200793X","","","0.71073","MoKα","","0.0509","0.0434","","","0.1206","0.1271","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012771","6.1932","0.0001","10.7461","0.0001","33.0458","0.0003","90","","90","","90","","2199.29","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-{(3R,4S)1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-4-pyridyl}- N-phenylpropenamide","","- C23 H27 Br N2 O2 -","- C23 H27 Br N2 O2 -","- C92 H108 Br4 N8 O8 -","4","1","SK1544","Deschamps, Jeffrey R.; George, Clifford; Flippen-Anderson, Judith L.","(1<i>R</i>)-2-[(3<i>R</i>,4<i>S</i>)-3-Methyl-4-(<i>N</i>-phenyl-<i>N</i>-propionylamino)piperidin-1-yl]-1-phenylethyl <i>p</i>-bromobenzoate and <i>N</i>-{(3<i>R</i>,4<i>S</i>)-1-[(2<i>S</i>)-2-(4-bromophenyl)-2-hydroxyethyl]-3-methyl-piperidin-4-yl}-<i>N</i>-phenylacrylamide","Acta Crystallographica Section C","2002","58","6","o362","o364","10.1107/S0108270102006443","","","1.54178","CuKα","","0.0434","0.0414","","","0.1029","0.1052","","","","","","1.093","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012775","7.238","0.0005","11.9743","0.0009","21.2062","0.0016","90","","90","","90","","1837.9","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-[N-(Benzotriazol-1-ylmethyl)amino]-3-tert-butyl-1-phenylpyrazole","","- C20 H22 N6 -","- C20 H22 N6 -","- C80 H88 N24 -","4","1","SK1550","Glidewell, Christopher; Low, John N.; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Rengifo, Emerson; Abonia, Rodrigo","5-[<i>N</i>-(1<i>H</i>-Benzotriazol-1-ylmethyl)amino]-3-<i>tert</i>-butyl-1-phenylpyrazole: sheets built from N—H···N, C—H···N and C—H···π(pyrazole) interactions","Acta Crystallographica Section C","2002","58","6","o314","o317","10.1107/S0108270102006881","","","0.71073","MoKα","","0.049","0.044","","","0.1048","0.1075","","","","","","1.072","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012781","12.3178","0.0001","15.5281","0.0001","20.4617","0.0001","90","","90","","90","","3913.75","0.04","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Dibenzylsulfoxido-κO)bis(1,3-diphenylpropane-1,3-dionato- κ^2^O,O')dioxouranium(VI)","","- C44 H36 O7 S U -","- C44 H36 O7 S U -","- C176 H144 O28 S4 U4 -","4","1","AV1108","Fun, Hoong-Kun; Kannan, S.; Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada","(Dibenzyl sulfoxide-κ<i>O</i>)bis(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')dioxouranium(VI)","Acta Crystallographica Section C","2002","58","7","m368","m370","10.1107/S010827010200848X","","","0.71073","MoKα","","0.063","0.048","","","0.104","0.121","","","","","","0.977","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012803","5.2885","0.0001","8.1643","0.0002","28.8446","0.0005","90","","90","","90","","1245.42","0.04","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","9-(4-vinylbenzyl)adenine","9-(4-vinylbenzyl)adenine","","- C14 H13 N5 -","- C14 H13 N5 -","- C56 H52 N20 -","4","1","FR1366","Srivatsan, S. G.; Verma, Sandeep; Parvez, Masood","4-Vinylbenzyl analogs of adenine and uracil: reactive monomers for nucleobase polymeric resins","Acta Crystallographica Section C","2002","58","7","o378","o380","10.1107/S0108270102007515","","","0.71073","MoKα","","0.046","0.039","","","0.106","0.111","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012804","5.9603","0.0002","7.0132","0.0002","25.9571","0.0009","90","","90","","90","","1085.03","0.06","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-(4-vinylbenzyl)uracil","1-(4-vinylbenzyl)uracil","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","FR1366","Srivatsan, S. G.; Verma, Sandeep; Parvez, Masood","4-Vinylbenzyl analogs of adenine and uracil: reactive monomers for nucleobase polymeric resins","Acta Crystallographica Section C","2002","58","7","o378","o380","10.1107/S0108270102007515","","","0.71073","MoKα","","0.077","0.054","","","0.12","0.135","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012846","7.2171","0.0006","18.541","0.003","20.176","0.006","90","","90","","90","","2699.8","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","16-(4-Cyanobenzylidene)-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","","- C31 H42 N2 O2 -","- C31 H42 N2 O2 -","- C124 H168 N8 O8 -","4","1","VJ1164","Hema, R.; Parthasarathi, V.; Thamotharan, S.; Dubey, S.; Jindal, D. P.","16-(4-Cyanobenzylidene)-3β-pyrrolidinoandrost-5-en-17β-ol monohydrate","Acta Crystallographica Section C","2002","58","7","o421","o422","10.1107/S0108270102009319","","","1.5418","CuKα","","0.049","0.043","","","0.117","0.123","","","","","","1.091","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012879","8.6089","0.0001","13.205","0.0002","13.9083","0.0002","90","","90","","90","","1581.1","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","epoxy dodecane","(1S,3R,8S,9S,10R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]- 9,10-epoxydodecane","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C64 H96 Cl8 O4 -","4","1","GG1115","Sbai, F.; Dakir, M.; Auhmani, A.; El Jamili, H.; Akssira, M.; Benharref, A.; Kenz, A.; Pierrot, M.","(1<i>S</i>,3<i>R</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>)-2,2-Dichloro-9,10-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane and (1<i>S</i>,3<i>R</i>,8<i>S</i>,10<i>R</i>)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","Acta Crystallographica Section C","2002","58","8","o518","o520","10.1107/S0108270102012283","","","0.71073","MoKα","","0.059","0.042","","","0.133","0.166","","","","","","1.198","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012885","11.097","0.002","11.742","0.002","21.829","0.004","90","","90","","90","","2844.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Formyl-3-hydroxymethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","2","JZ1510","Gzella, Andrzej; Brózda, Danuta; Koroniak, Lukasz; Rozwadowska, Maria D.","Two optically active isoquinoline derivatives","Acta Crystallographica Section C","2002","58","8","o503","o506","10.1107/S0108270102011915","","","1.54178","CuKα","","0.0496","0.0334","","","0.0918","0.0992","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2012886","11.177","0.0014","12.0378","0.0018","12.7533","0.0009","90","","90","","90","","1715.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(-)-sparteine zinc(II) dibromide","dibromo[(-)-sparteine-N,N']zinc(II)","","- C15 H26 Br2 N2 Zn -","- C15 H26 Br2 N2 Zn -","- C60 H104 Br8 N8 Zn4 -","4","1","LN1140","Lee, Yong-Min; Kang, Sung Kwon; Kim, Young-Inn; Choi, Sung-Nak","Dibromo[(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']zinc(II)","Acta Crystallographica Section C","2002","58","8","m453","m454","10.1107/S0108270102011988","","","0.71073","MoKα","","0.0961","0.0526","","","0.0919","0.1043","","","","","","1.033","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2012887","8.52","0.002","12.095","0.002","22.323","0.005","90","","90","","90","","2300.4","0.8","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-Butyl (3S,6R,9R)-(5-oxo-3-{N-[1(R)-phenylethyl]carbamoyl}- 1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)carbamate monohydrate","","- C22 H33 N3 O5 -","- C22 H33 N3 O5 -","- C88 H132 N12 O20 -","4","1","LN1142","Soave, Raffaella; Destro, Riccardo","<i>tert</i>-Butyl (3<i>S</i>,6<i>R</i>,9<i>R</i>)-(5-oxo-3-{[1(<i>R</i>)-phenylethyl]carbamoyl}-1,2,3,5,6,7,8,8a-octahydroindolizin-6-yl)carbamate monohydrate at 95K","Acta Crystallographica Section C","2002","58","8","o507","o509","10.1107/S0108270102011538","","","0.71073","MoKα","","0.0489","0.0477","","","0.1081","0.1087","","","","","","1.151","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012897","9.7633","0.0004","10.9896","0.0004","16.621","0.0007","90","","90","","90","","1783.35","0.12","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino [2,3-d]oxazole","","- C24 H17 N O3 -","- C24 H17 N O3 -","- C96 H68 N4 O12 -","4","1","SK1563","Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Zhang, Yan; Xu, Jian-Hua","11-Methyl-12a-phenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole and 9a-(10-hydroxyphenanthren-9-yl)-11,12a-diphenyl-9a,12a-dihydrophenanthro[9',10':5,6][1,4]dioxino[2,3-<i>d</i>]oxazole","Acta Crystallographica Section C","2002","58","8","o477","o479","10.1107/S0108270102011083","","","0.71073","MoKα","","0.083","0.052","","","0.109","0.122","","","","","","0.96","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012928","8.901","0.001","14.261","0.001","25.583","0.001","90","","90","","90","","3247.4","0.4","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","O-(2,3-di-O-acetyl-4,6-O-benzylidene-β-D-glucopyranosyl)- (1→2)-3,4-O-isopropylidene-β-D-fucopyranoside","","- C33 H40 O12 -","- C33 H40 O12 -","- C132 H160 O48 -","4","1","FG1655","Brito-Arias, Marco; Durán-Páramo, Enrique; Mata, Ignasi; Molins, Elies","A comparative analysis of mono- and disaccharide benzyl fucopyranosides","Acta Crystallographica Section C","2002","58","9","o537","o539","10.1107/S0108270102012556","","","0.71073","MoKα","","","0.041","","","","0.138","","","","","","0.89","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2012949","5.3163","0.0003","8.1348","0.0004","27.259","0.002","90","","90","","90","","1178.87","0.12","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Tryptophan formic acid solvate","L-2-Amino-3-(1H-indol-3-yl)-propionic acid formic acid solvate","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","SK1566","Hübschle, Christian B.; Dittrich, Birger; Luger, Peter","<small>L</small>-Tryptophan formic acid solvate at 183K","Acta Crystallographica Section C","2002","58","9","o540","o542","10.1107/S0108270102012489","","","0.71073","MoKα","","0.065","0.051","","","0.121","0.126","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2012994","6.9306","0.0008","11.1084","0.0015","13.7591","0.0011","90","","90","","90","","1059.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-deoxy-β-D-erythro-furanosyl)-1H-pyrazolo[3,4-d]pyrimidine","","- C10 H12 N4 O3 -","- C10 H12 N4 O3 -","- C40 H48 N16 O12 -","4","1","LN1143","He, Junlin; Seela, Frank; Eickmeier, Henning; Reuter, Hans","The regioisomeric 1<i>H</i>(2<i>H</i>)-pyrazolo[3,4-<i>d</i>]pyrimidine <i>N</i>^1^- and <i>N</i>^2^-(2'-deoxy-β-<small>D</small>-ribofuranosides)","Acta Crystallographica Section C","2002","58","10","o593","o595","10.1107/S0108270102014944","","","0.71073","MoKα","","0.0542","0.0424","","","0.0985","0.1046","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013028","13.2734","0.0001","14.3376","0.0001","18.664","0.0002","90","","90","","90","","3551.92","0.05","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","(S)-Ru(η^5^-C~5~H~5){(+)EPHOS}Cl","chloro(η^5^-cyclopentadienyl)-(+)-{(2S,3R)-2-[(diphenylphosphino)methylamino]- 3-phenylpropyl diphenylphosphinite-κ^2^P,P'}ruthenium(II)","","- C39 H38 Cl N O P2 Ru -","- C39 H38 Cl N O P2 Ru -","- C156 H152 Cl4 N4 O4 P8 Ru4 -","4","1","GD1228","Haquette, Pierre; Lebideau, Franck; Dagorne, Samuel; Marrot, Jérôme; Jaouen, Gérard","A new optically pure half-sandwich Cp‒Ru diphosphine complex with a chiral metal centre, (<i>S</i>)-Ru(η^5^-C~5~H~5~)(EPHOS)Cl {EPHOS is (+)-(1<i>R</i>,2<i>S</i>)-2-[(diphenylphosphino)methylamino]-1-phenylpropyl diphenylphosphinite}","Acta Crystallographica Section C","2002","58","11","m551","m552","10.1107/S0108270102018395","","","0.71073","MoKα","","0.073","0.038","","","0.067","0.078","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013031","5.6862","0.0004","13.0264","0.0008","15.563","0.002","90","","90","","90","","1152.76","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,6-Bis(thiophen-2-yl)pyridazine","3,6-Bis(thiophen-2-yl)pyridazine","","- C12 H8 N2 S2 -","- C12 H8 N2 S2 -","- C48 H32 N8 S8 -","4","1","GG1137","Ackers, Brian; Blake, Alexander J.; Hill, Stuart J.; Hubberstey, Peter","3,6-Di(thiophen-2-yl)pyridazine","Acta Crystallographica Section C","2002","58","11","o640","o641","10.1107/S0108270102016037","","","0.71073","MoKα","","0.036","0.032","","","0.071","0.074","","","","","","1.108","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013035","5.124","0.001","12.213","0.005","15.072","0.009","90","","90","","90","","943.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Sodium zinc diiron(III) triphosphate","","- Fe2 Na O12 P3 Zn -","- Fe2 Na O12 P3 Zn -","- Fe8 Na4 O48 P12 Zn4 -","4","1","IZ1022","Hidouri, Mourad; Lajmi, Besma; Ben Amara, Mongi","The iron phosphate NaZnFe~2~(PO~4~)~3~","Acta Crystallographica Section C","2002","58","11","i147","i148","10.1107/S010827010201541X","","","0.71073","MoKα","","0.035","0.029","","","0.076","0.078","","","","","","1.241","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013038","7.22","0.002","12.728","0.002","32.21","0.006","90","","90","","90","","2960","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2'3'-dehydrosalannol","methyl (2aS,3R,5R,5aS,6S,6aS,8R,9aS,10aR,10bR,10cS)]- 8-(3-furyl)-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy- 2a,5a,6a,7-tetramethyl-5-(3-methylbut-2-enoyloxy)-2H,3H- cyclopenta[4',5']furo[2',3':6,5]benzo[cd]isobenzofuran-6-acetate","","- C32 H42 O8 -","- C32 H42 O8 -","- C128 H168 O32 -","4","1","LN1144","Malathi, R; Rajan, S. S.; Gopalakrishnan, Geetha; Suresh, G.","2',3'-Dehydrosalannol","Acta Crystallographica Section C","2002","58","11","o681","o682","10.1107/S010827010201747X","","","1.54178","CuKα","","0.091","0.045","","","0.116","0.151","","","","","","1.024","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013046","7.33","0.003","10.819","0.004","22.453","0.008","90","","90","","90","","1780.6","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^C^1^,N]palladium(II)}","","- C16 H20 Cl2 N2 Pd2 -","- C16 H20 Cl2 N2 Pd2 -","- C64 H80 Cl8 N8 Pd8 -","4","1","SK1575","Calmuschi, Beatrice; Englert, Ulli","(<i>R</i>)-Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>'-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)}, (<i>R</i>)-di-μ-chloro-bis{[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)} and [<i>SP</i>-4-4]-(<i>R</i>)-[2-(1-aminoethyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]chloro(pyridine-κ<i>N</i>)palladium(II)","Acta Crystallographica Section C","2002","58","11","m545","m548","10.1107/S0108270102018218","","","0.71073","MoKα","","0.06","0.049","","","0.105","0.109","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013056","7.99482","0.00003","8.84525","0.00004","8.35318","0.00004","90","","90","","90","","590.705","0.004","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Lead tartrate","Lead tartrate","","- C4 H4 O6 Pb -","- C4 H4 O6 Pb -","- C16 H16 O24 Pb4 -","4","1","AV1119","De Ridder, Dirk J. A.; Goubitz, Kees; Sonneveld, Ed J.; Molleman, Wim; Schenk, Henk","Lead tartrate from X-ray powder diffraction data","Acta Crystallographica Section C","2002","58","12","m596","m598","10.1107/S0108270102019637","","","1.54056","CuKα","","","","","","","","","","1.69","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013080","14.142","0.006","17.287","0.003","21.505","0.004","90","","90","","90","","5257","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Azadirachtol","Dimethyl (-)-(2aR,3R,4R,4aS,5R,7aS,8R,10S,10aR)- 3,8,10-trihydroxy-4-[(2R,6R)-2-hydroxy-11-methyl- 5,7,10-trioxatetracyclo[6.3.1.0^2,6^0^9,11^]dodeca-3-en-9-yl]- 4-methylperhydroisobenzofurano[5,4,3a-cd]isobenzofuran-5,10a-diacetate","","- C28 H36 O13 -","- C28 H36 O13 -","- C224 H288 O104 -","8","2","LN1147","Malathi, R.; Rajan, S. S.; Geetha Gopalakrishnan; Suresh, G.","Azadirachtol, a tetranortriterpenoid from neem kernels","Acta Crystallographica Section C","2002","58","12","o708","o710","10.1107/S0108270102019091","","","1.54178","CuKα","","0.15","0.06","","","0.135","0.173","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013085","8.029","0.002","13.4196","0.0016","15.3094","0.0016","90","","90","","90","","1649.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(-)-Sparteinium monoperchlorate","(6R,7S,9S,11S)-Sparteinium monoperchlorate","","- C15 H27 Cl N2 O4 -","- C15 H27 Cl N2 O4 -","- C60 H108 Cl4 N8 O16 -","4","1","OB1088","Lee, Yong-Min; Shim, Yoon-Bo; Lee, Seung Jae; Kang, Sung Kwon; Choi, Sung-Nak","Redetermination of (6<i>R</i>,7<i>S</i>,9<i>S</i>,11<i>S</i>)-(‒)-sparteinium monoperchlorate","Acta Crystallographica Section C","2002","58","12","o733","o734","10.1107/S0108270102020425","","","0.71073","MoKα","","0.097","0.0515","","","0.1088","0.1283","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013089","11.722","0.002","18.391","0.014","25.528","0.006","90","","90","","90","","5503","4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-({2-[N-(S)-(2-picolyl)prolylamino]phenyl}phenylmethylene)-(S)- phenylalaninato]nickel(II)","","- C33 H30 N4 Ni O3 -","- C33 H30 N4 Ni O3 -","- C264 H240 N32 Ni8 O24 -","8","2","SK1578","Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R.","Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of <i>N</i>-({2-[<i>N</i>-(<i>S</i>)-alkylprolylamino]phenyl}phenylmethylene)-(<i>S</i>)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)","Acta Crystallographica Section C","2002","58","12","m570","m574","10.1107/S0108270102018309","","","0.71073","MoKα","","0.077","0.054","","","0.098","0.115","","","","","","1.18","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013090","11.522","0.004","18.623","0.006","25.828","0.007","90","","90","","90","","5542","3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-({2-[N-(S)-(3-picolyl)prolylamino]phenyl}phenylmethylene)-(S)- phenylalaninato]nickel(II) hemihydrate","","- C33 H31 N4 Ni O3.5 -","- C33 H30 N4 Ni O3.5 -","- C264 H240 N32 Ni8 O28 -","8","2","SK1578","Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R.","Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of <i>N</i>-({2-[<i>N</i>-(<i>S</i>)-alkylprolylamino]phenyl}phenylmethylene)-(<i>S</i>)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)","Acta Crystallographica Section C","2002","58","12","m570","m574","10.1107/S0108270102018309","","","0.71073","MoKα","","0.1","0.066","","","0.106","0.126","","","","","","1.29","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013091","9.692","0.003","10.047","0.002","26.06","0.006","90","","90","","90","","2537.6","1.1","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-({2-[N-(S)-ethylprolylamino]phenyl}phenylmethylene)-(S)- phenylalaninato]nickel(II)","","- C29 H29 N3 Ni O3 -","- C29 H29 N3 Ni O3 -","- C116 H116 N12 Ni4 O12 -","4","1","SK1578","Blake, Alexander J.; De, Binod B.; Li, Wan-Sheung; Thomas, Neil R.","Retroracemization using new forms of Belokon's original ligand: intermediate Ni^II^ complexes of <i>N</i>-({2-[<i>N</i>-(<i>S</i>)-alkylprolylamino]phenyl}phenylmethylene)-(<i>S</i>)-phenylalanine (alkyl is 2-picolyl, 3-picolyl or ethyl)","Acta Crystallographica Section C","2002","58","12","m570","m574","10.1107/S0108270102018309","","","0.71073","MoKα","","0.055","0.05","","","0.128","0.135","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013095","7.5571","0.0001","9.4931","0.0001","23.4455","0.0002","90","","90","","90","","1681.99","0.03","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,1',6'-trichloro-4,1',6'-trideoxysucrose monohydrate","1,6-dichloro-1,6-dideoxy-β-D-fructofuranosyl 4-chloro-4-deoxy-α-D-glucopyranoside monohydrate","","- C12 H21 Cl3 O9 -","- C12 H21 Cl3 O9 -","- C48 H84 Cl12 O36 -","4","1","SK1596","Linden, Anthony; Muhammad Sofian, A. S.; Lee, C. Kuan","4,1',6'-Trichloro-4,1',6'-trideoxysucrose monohydrate","Acta Crystallographica Section C","2002","58","12","o711","o714","10.1107/S0108270102020048","","","0.71073","MoKα","","0.034","0.028","","","0.065","0.068","","","","","","1.047","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2013113","7.126","0.003","12.32","0.004","13.905","0.005","90","","90","","90","","1220.8","0.8","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9,12-diiodo-ortho-carborane","9,12-diiodo-1,2-dicarba-closo-dodecaborane(12)","","- C2 H10 B10 I2 -","- C2 H10 B10 I2 -","- C8 H40 B40 I8 -","4","1","BM1513","Batsanov, Andrei S.; Fox, Mark A.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Martindale, Steven J.","9,12-Diiodo-1,2-dicarba-<i>closo</i>-dodecaborane(12)","Acta Crystallographica Section C","2003","59","2","o74","o76","10.1107/S0108270102023582","","","0.71073","MoKα","","0.0204","0.019","","","0.046","0.0465","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013120","9.9351","0.0016","11.149","0.0017","27.977","0.004","90","","90","","90","","3098.9","0.8","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(6,6'-dihydroxybiphenyl-2,2'-diyl)bis(diphenylphosphine oxide)","","- C37 H32 O5 P2 -","- C37 H32 O5 P2 -","- C148 H128 O20 P8 -","4","1","DE1193","Qiu, Li Qin; Qi, Jian Ying; Ji, Jian Xin; Zhou, Zhong Yuan; Yeug, Chi Hung; Choi, Michael C. K.; Chan, Albert S. C.","(<i>R</i>)-(6,6'-Dihydroxybiphenyl-2,2'-diyl)bis(diphenylphosphine oxide) methanol solvate","Acta Crystallographica Section C","2003","59","1","o33","o35","10.1107/S0108270102021042","","","0.71073","MoKα","","0.099","0.042","","","0.062","0.075","","","","","","0.833","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013122","7.995","0.003","26.611","0.005","5.4348","0.0007","90","","90","","90","","1156.3","0.5","288.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Carboxy-L-aspartic anhydride benzyl ester","Benzyl (1,2,3,4-tetrahydro-2,5-dioxo-1,3-oxazol-4-yl)acetate","","- C12 H11 N O5 -","- C12 H11 N O5 -","- C48 H44 N4 O20 -","4","1","DE1204","Kanazawa, Hitoshi; Magoshi, Jun","<i>N</i>-Carboxy-<small>L</small>-aspartic anhydride benzyl ester","Acta Crystallographica Section C","2003","59","3","o159","o161","10.1107/S0108270103002567","","","0.71073","MoKα","","","0.054","","","","0.076","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013136","8.287","0.0009","14.061","0.003","14.9685","0.0015","90","","90","","90","","1744.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-sparteine copper(II) diazide","(diazido-N)[(-)-sparteine-N,N']copper(II)","","- C15 H26 Cu N8 -","- C15 H26 Cu N8 -","- C60 H104 Cu4 N32 -","4","1","FG1677","Kim, Yong-Kyu; Kim, Bun-Joo; Kang, Sung Kwon; Choi, Sung-Nak; Lee, Yong-Min","Bis(azido-κ<i>N</i>)[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>S</i>)-(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section C","2003","59","2","m64","m66","10.1107/S0108270103000684","","","0.71073","MoKα","","0.1211","0.0587","","","0.123","0.171","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013214","9.491","0.004","13.541","0.005","14.051","0.006","90","","90","","90","","1805.8","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dimethyl 4aβ-methyl-6-methoxy-9-oxo-1,2,3,4,4a,9,10,10aβ- octahydrophenanthrene-1,1-dicarboxylate","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","SK1615","Swastik Mondal; Monika Mukherjee; Arnab Roy; Debabrata Mukherjee","Dimethyl 6-methoxy-4aβ-methyl-9-oxo-1,2,3,4,4a,9,10,10aβ-octahydrophenanthrene-1,1-dicarboxylate","Acta Crystallographica Section C","2003","59","3","o132","o134","10.1107/S0108270103002452","","","0.71073","MoKα","","0.0369","0.0345","","","0.0932","0.0955","","","","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013231","6.8638","0.0016","15.861","0.004","17.014","0.007","90","","90","","90","","1852.3","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3-O-β-L-fucopyranosyl α-D-glucopyranoside trihydrate","","- C13 H30 O13 -","- C13 H30 O13 -","- C52 H120 O52 -","4","1","TR1049","Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran","Methyl 3-<i>O</i>-β-<small>L</small>-fucopyranosyl α-<small>D</small>-glucopyranoside trihydrate","Acta Crystallographica Section C","2003","59","3","o171","o173","10.1107/S0108270103002865","","","0.872","synchrotron","","0.0475","0.0356","","","0.0847","0.0867","","","","","","1.561","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013254","13.0161","0.0013","13.229","0.0014","26.496","0.003","90","","90","","90","","4562.3","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H59 N3 O13 S -","- C45 H59 N3 O13 S -","- C180 H236 N12 O52 S4 -","4","1","FA1005","Sainz-Diaz, C. Ignacio; Manzanares, Ignacio; Francesch, Andres; Garcia-Ruiz, Juanma","The potent anticancer compound ecteinascidin-743 (ET-743) as its 2-propanol disolvate","Acta Crystallographica Section C","2003","59","4","o197","o198","10.1107/S0108270103003676","","","0.71073","MoKα","","","0.0775","","","","0.1317","","","","","","1.124","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013255","6.8711","0.0011","15.231","0.002","19.263","0.003","90","","90","","90","","2015.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","methyl 3,6-di-O-pivaloyl-α-D-mannopyranoside","methyl 3,6-di-O-pivaloyl-α-D-mannopyranoside","","- C17 H30 O8 -","- C17 H30 O8 -","- C68 H120 O32 -","4","1","FA1007","Matijašić, Ivanka; Pavlović, Gordana; Trojko Jr., Rudolf","Methyl 3,6-di-<i>O</i>-pivaloyl-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section C","2003","59","4","o184","o186","10.1107/S010827010300324X","","","0.71073","MoKα","","0.1087","0.0426","","","0.1003","0.1203","","","","","","0.93","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013328","11.666","0.003","12.937","0.005","5.714","0.003","90","","90","","90","","862.4","0.6","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H11 N O6 P2 -","- C3 H11 N O6 P2 -","- C12 H44 N4 O24 P8 -","4","1","NA1606","Fernández, Daniel; Vega, Daniel; Ellena, Javier A.","Two members of the bisphosphonate class of drugs: a zwitterion and a molecular compound","Acta Crystallographica Section C","2003","59","6","o289","o292","10.1107/S0108270103007649","","","0.71073","MoKα","","","0.0486","","","","0.1185","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013332","8.134","0.003","22.802","0.002","7.744","0.002","90","","90","","90","","1436.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,3S,6S)-[6-tert-butyl-1-hydroxymethyl-5-methyoxy-6-methyl-7-oxa-8-oxo -4-aza-spiro[2.5]oct-4-en-8-one","","- C13 H21 N O4 -","- C13 H21 N O4 -","- C52 H84 N4 O16 -","4","1","NA1611","Małecka, Magdalena; Wanner, Klaus Th.; Budzisz, Elżbieta","(1<i>R</i>,3<i>S</i>,6<i>S</i>)-6-<i>tert</i>-Butyl-1-hydroxymethyl-5-methoxy-6-methyl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one and dimethyl [(1<i>S</i>,1'<i>R</i>,3'<i>S</i>,6'<i>S</i>)-(6'-<i>tert</i>-butyl-5'-methoxy-6'-methyl-8'-oxo-7'-oxa-4'-azaspiro[2.5]oct-4'-en-1'-yl)hydroxymethyl]phosphonate","Acta Crystallographica Section C","2003","59","6","o317","o320","10.1107/S0108270103008564","","","1.54178","CuKα","","0.0625","0.0524","","","0.159","0.1626","","","","","","1.024","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2013341","12.6034","0.0007","12.6075","0.0007","53.536","0.003","90","","90","","90","","8506.7","0.8","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ccs1","cis,cis-Ceratospongamide, N,N-dimethylacetamide hemisolvate cyclo(-Ile-Oxz-Phe-Pro-Thz-Phe-Pro-)","","- C43 H53.5 N7.5 O6.5 S -","- C43 H53.5 N7.5 O6.5 S -","- C344 H428 N60 O52 S8 -","8","2","OB1101","Mitsunobu Doi; Akiko Asano; Kenji Yoza","<i>cis</i>,<i>cis</i>-Ceratospongamide <i>N</i>,<i>N</i>-dimethylacetamide hemisolvate in the presence of twinning","Acta Crystallographica Section C","2003","59","6","o323","o325","10.1107/S010827010300369X","","","0.71073","MoKα","","0.0504","0.0502","","","0.1266","0.1267","","","","","","1.155","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013398","7.853","0.002","8.791","0.002","12.229","0.003","90","","90","","90","","844.2","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-cyanofurazanyl 3-nitrofurazanyl ether","","- C5 N6 O5 -","- C5 N6 O5 -","- C20 N24 O20 -","4","1","BM1529","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Four 3-cyanodifurazanyl ethers: potential propellants","Acta Crystallographica Section C","2003","59","7","o383","o387","10.1107/S0108270103009521","","","0.71073","MoKα","","0.0559","0.0451","","","0.1173","0.1207","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013399","7.8295","0.0015","8.6273","0.0018","17.409","0.003","90","","90","","90","","1175.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4-bis(3-cyanofurazan-4-yloxy)furazan","","- C8 N8 O5 -","- C8 N8 O5 -","- C32 N32 O20 -","4","1","BM1529","Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.","Four 3-cyanodifurazanyl ethers: potential propellants","Acta Crystallographica Section C","2003","59","7","o383","o387","10.1107/S0108270103009521","","","0.71073","MoKα","","0.0495","0.0447","","","0.1248","0.1281","","","","","","1.049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013426","7.1159","0.0006","10.7627","0.0011","12.1055","0.001","90","","90","","90","","927.12","0.14","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(η^6^-Chlorobenzene)tricarbonylchromium","","- C9 H5 Cl Cr O3 -","- C9 H5 Cl Cr O3 -","- C36 H20 Cl4 Cr4 O12 -","4","1","FG1692","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Warren, John E.","Tricarbonyl(η^6^-chlorobenzene)chromium","Acta Crystallographica Section C","2003","59","8","m322","m324","10.1107/S0108270103013787","","","0.71073","MoKα","","0.1311","0.056","","","0.0823","0.0972","","","","","","0.989","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013438","14.158","0.003","15.486","0.003","17.548","0.003","90","","90","","90","","3847.4","1.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(Tetrahydrofuran)potassium Mer-[tris(carbazolyl)-trans-dichloro- (tetrahydrofurano)zirconate].","","- C44 H40 Cl2 K N3 O2 Zr -","- C44 H40 Cl2 K N3 O2 Zr -","- C176 H160 Cl8 K4 N12 O8 Zr4 -","4","1","FR1422","Nygren, Cara L.; Bragg, M. E. T.; Turner, John F. C.","(Tetrahydrofuran)potassium <i>mer</i>-<i>trans</i>-tris(carbazolyl)dichloro(tetrahydrofuran)zirconate","Acta Crystallographica Section C","2003","59","7","m275","m276","10.1107/S0108270103010321","","","0.71073","MoKα","","0.033","0.0283","","","0.0744","0.0779","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013441","5.7339","0.0007","14.8229","0.0015","23.469","0.002","90","","90","","90","","1994.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-methyl-4(4-bromophenyl)-thiazole","","- C10 H8 Br N S -","- C10 H8 Br N S -","- C80 H64 Br8 N8 S8 -","8","2","GA1014","Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Sánchez-Viesca, Francisco; Berros, Martha","4-(4-Bromophenyl)-2-methyl-1,3-thiazole","Acta Crystallographica Section C","2003","59","7","o360","o362","10.1107/S0108270103009740","","","0.71073","MoKα","","0.1583","0.0649","","","0.1269","0.1664","","","","","","0.928","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013445","10.4","0.002","12.81","0.003","16","0.003","90","","90","","90","","2131.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1R,3S)-1-monoamidocamphoric acid","(1S,3R)-3-Carbamoyl-2,2,3-trimethylcyclopentane-1-carboxylic acid","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","2","GA1021","Huang, Wei; Qian, Hui-Fen; Chen, Yi-Hu; Gou, Shao-Hua; Li, Yi-Zhi","(1<i>R</i>,3<i>S</i>)-1-Monoamidocamphoric acid","Acta Crystallographica Section C","2003","59","8","o479","o480","10.1107/S0108270103013349","","","0.71073","MoKα","","0.0891","0.0461","","","0.0862","0.0957","","","","","","0.867","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013454","7.8435","0.0001","9.7218","0.0002","39.5921","0.0009","90","","90","","90","","3019.01","0.1","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","morphine di-(naphthalene-1-carboxylate)","","","- C39 H31 N O5 -","- C39 H31 N O5 -","- C156 H124 N4 O20 -","4","1","GD1262","Gathergood, Nicholas; Scammells, Peter J.; Fallon, Gary D.","Inter- and intramolecular C—H···π interactions in morphine bis(1-naphthoate)","Acta Crystallographica Section C","2003","59","9","o485","o487","10.1107/S0108270103015622","","","0.71073","MoKα","","0.1157","0.0506","","","0.0895","0.1117","","","","","","1.029","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013455","6.941","0.003","7.277","0.003","26.418","0.01","90","","90","","90","","1334.4","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C60 H52 N4 O16 -","4","1","GD1263","Howie, R. Alan; Jabbar, Abdul; Lewis, John R.; Nizami, Shaikh S.; Ritchie, Craig F.","2-(2,1-Benzoxazol-3-yl)-3,5-dimethoxyphenol and 3-phenyl-2,1-benzoxazole","Acta Crystallographica Section C","2003","59","9","o516","o519","10.1107/S0108270103015713","","","0.71069","MoKα","","0.0386","0.0321","","","0.0806","0.0821","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013461","7.4986","0.0001","13.0997","0.0002","29.5866","0.0006","90","","90","","90","","2906.27","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Potassium N-(6-amino-3,4-dihydro-3-methyl-5-nitroso- 4-oxopyrimidin-2-yl)-(S)-aspartate N-(6-amino-3,4-dihydro-3-methyl- 5-nitroso-4-oxopyrimidin-2-yl)-(S)-aspartic acid 4.88(hydrate)","","- C18 H30.76 K N10 O16.88 -","- C18 H30.532 K N10 O16.883 -","- C72 H122.128 K4 N40 O67.532 -","4","1","GG1168","Cuesta, Rafael; Glidewell, Christopher; López, Rafael; Low, John N.","Potassium <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(<i>S</i>)-aspartate <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)-(<i>S</i>)-aspartic acid 4.88-hydrate: a two-dimensional coordination polymer","Acta Crystallographica Section C","2003","59","8","m315","m318","10.1107/S0108270103013106","","","0.71073","MoKα","","0.0726","0.0518","","","0.1036","0.1144","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013479","10.342","0.004","13.328","0.007","11.956","0.009","90","","90","","90","","1648","1.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Samaderine-B","","","- C19 H22 O7 -","- C19 H22 O7 -","- C76 H88 O28 -","4","1","LN1170","Malathi, R; Rajan, S. S.; Suresh, G; Krishnakumari, G.N; Geetha Gopalakrishnan","Samaderin B and C from <i>Samadera indica</i>","Acta Crystallographica Section C","2003","59","8","o416","o418","10.1107/S0108270103011983","","","1.54178","CuKα","","0.112","0.0741","","","0.1783","0.2075","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013480","7.5278","0.0016","12.418","0.003","18.037","0.004","90","","90","","90","","1686.1","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Samaderine-C","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","LN1170","Malathi, R; Rajan, S. S.; Suresh, G; Krishnakumari, G.N; Geetha Gopalakrishnan","Samaderin B and C from <i>Samadera indica</i>","Acta Crystallographica Section C","2003","59","8","o416","o418","10.1107/S0108270103011983","","","1.54178","CuKα","","0.038","0.0326","","","0.0994","0.1033","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013498","6.1283","0.0003","17.2964","0.0007","22.4659","0.0006","90","","90","","90","","2381.33","0.16","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-{2-[(2R,4R)-4-hydroxy-6-oxo-3,4,5,6- tetrahydro-2H-pyran-2-yl]ethyl}-1,2,3,7,8,8a-hexahydronaphthalin-1-yl 2,2-dimethylbutanoate","","- C25 H38 O5 -","- C25 H38 O5 -","- C100 H152 O20 -","4","1","SK1633","Čejka, Jan; Kratochvíl, Bohumil; Císařová, Ivana; Jegorov, Alexandr","Simvastatin","Acta Crystallographica Section C","2003","59","8","o428","o430","10.1107/S0108270103012514","","","0.71073","MoKα","","0.0804","0.0715","","0.09","0.0844","0.0844","","","","","","1.1183","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013501","7.5558","0.0002","13.4054","0.0001","20.0304","0.0003","90","","90","","90","","2028.85","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,6'-Dimethoxy-2,2'-[(1R,2R)-cyclohexane-1,2- diylbis(nitrilomethylidyne)]diphenol","","- C22 H26 N2 O4 -","- C22 H26 N2 O4 -","- C88 H104 N8 O16 -","4","1","SK1640","Mohamed, E. Mothi; Muralidharan, Samraj; Panchanatheswaran, Krishnaswamy; Ramesh, Rengan; Low, John N.; Glidewell, Christopher","6,6'-Dimethoxy-2,2'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol: three C—H···O hydrogen bonds generate a three-dimensional framework","Acta Crystallographica Section C","2003","59","7","o367","o369","10.1107/S0108270103010205","","","0.71073","MoKα","","0.0387","0.0352","","","0.082","0.0841","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013513","7.7235","0.0005","19.0625","0.0009","13.8907","0.0013","90","","90","","90","","2045.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Teuctosin","","","- C22 H28 O8 -","- C22 H28 O8 -","- C88 H112 O32 -","4","1","SK1651","S.Soundarya Devi; R.Malathi; S.S.Rajan; S.Arvind; G.N.Krishnakumari; K.Ravikumar","A new clerodane diterpene with antifeedant activity from <i>Teucrium tomentosum</i>","Acta Crystallographica Section C","2003","59","9","o530","o532","10.1107/S0108270103017050","","","0.71073","MoKα","","0.0451","0.0407","","","0.1107","0.1152","","","","","","1.037","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013519","9.3994","0.001","14.4249","0.0015","14.8129","0.0015","90","","90","","90","","2008.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Rotenone α-oxime","1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)- [1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6H)-one oxime","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C92 H92 N4 O24 -","4","1","SQ1014","Yang, Shi-Ping; Yu, Xi-Bin; Huang, Ji-Guang; Xu, Han-Hong","Rotenone α-oxime","Acta Crystallographica Section C","2003","59","7","o392","o393","10.1107/S010827010301117X","","","0.71073","MoKα","","0.1001","0.0643","","","0.1585","0.176","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013529","10.406","0.001","14.479","0.002","21.421","0.003","90","","90","","90","","3227.5","0.7","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Al3 Br9 N6 -","- C12 H18 Al3 Br9 N6 -","- C48 H72 Al12 Br36 N24 -","4","1","TA1411","Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Pentaacetonitrilebromoaluminium(III) bis[tetrabromoaluminium(III)] acetonitrile solvate","Acta Crystallographica Section C","2003","59","7","m289","m290","10.1107/S0108270103011429","","","0.71073","MoKα","","0.058","0.029","","0.032","","0.027","","","0.966","","","0.986","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013531","9.882","0.011","10.705","0.006","41.553","0.017","90","","90","","90","","4396","6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(N-benzhydrylamino)carbonylmethyl N-benzyloxycarbonyl-α-aminoisobutyrylprolylvalinate monohydrate","","- C43 H57 N5 O9 -","- C43 H57 N5 O9 -","- C172 H228 N20 O36 -","4","1","TR1055","Geßmann,Renate; Norbert Schiemann; Brückner,Hans; Petratos, Kyriacos","The tetrapeptide Z-Leu-Aib-Pro-Val-OBg monohydrate","Acta Crystallographica Section C","2003","59","8","o413","o415","10.1107/S0108270103010291","","","1.54178","CuKα","","0.1055","0.0613","","","0.1566","0.184","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013569","11.627","0.003","14.7157","0.0019","21.081","0.003","90","","90","","90","","3606.9","1.2","291","0.5","291","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","10,13,16,17-tetrahydroxy-9-methyl-15-oxo-20-nor-kauran-18-oic acid-γ-lactone","","- C40 H58 O13 -","- C40 H58 O13 -","- C160 H232 O52 -","4","1","FA1027","Mattia, Carlo Andrea; Braca, Alessandra; De Tommasi, Nunziatina; Puliti, Raffaella","A new norkaurane-γ-lactone from <i>Parinari sprucei</i>","Acta Crystallographica Section C","2003","59","11","o644","o646","10.1107/S0108270103019814","","","1.54178","CuKα","","0.0391","0.0322","","","0.0956","0.0984","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013578","6.4917","0.0008","12.327","0.001","15.844","0.001","90","","90","","90","","1267.9","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine","","- C11 H15 B Br N O2 -","- C11 H15 B Br N O2 -","- C44 H60 B4 Br4 N4 O8 -","4","1","FG1698","Sopková-de Oliveira Santos, Jana; Bouillon, Alexandre; Lancelot, Jean-Charles; Rault, Sylvain","2-Bromo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, a new unexpected bifunctional building block for combinatorial chemistry","Acta Crystallographica Section C","2003","59","10","o596","o597","10.1107/S0108270103016767","","","0.71069","MoKα","","0.154","0.062","","","0.133","0.166","","","","","","0.966","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013584","6.7093","0.0009","15.336","0.003","20.21","0.003","90","","90","","90","","2079.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[[(1,10-phenanthroline-κ^2^N,N')manganese(II)]-μ-L-tartrato- κ^2^O^1^:O^4^] hexahydrate]","","- C16 H24 Mn N2 O12 -","- C16 H24 Mn N2 O12 -","- C64 H96 Mn4 N8 O48 -","4","1","FR1417","Zhang, Xiaofeng; Huang Deguang; Chen Feng; Chen,Changneng; Liu, Qiutian; Sun, Licheng","<i>catena</i>-Poly[[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-<small>L</small>-tartrato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^4^] hexahydrate]","Acta Crystallographica Section C","2003","59","10","m402","m404","10.1107/S010827010301761X","","","0.71073","MoKα","","0.032","0.0282","","","0.0699","0.0737","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013592","9.2667","0.0017","12.1242","0.0015","21.099","0.019","90","","90","","90","","2371","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[tris(1H-benzimidazole-κN^3^)cobalt(II)]-μ-maleato-κ^3^O,O':O'']","","- C25 H20 Co N6 O4 -","- C25 H20 Co N6 O4 -","- C100 H80 Co4 N24 O16 -","4","1","FR1433","Xue, Yu-Hong; Xu, Duan-Jun; Gu, Jian-Ming","Helical <i>catena</i>-poly[[tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cobalt(II)]-μ-maleato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section C","2003","59","10","m387","m389","10.1107/S0108270103017785","","","0.71069","MoKα","","0.057","0.041","","","0.099","0.114","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013622","6.1652","0.0003","10.2718","0.0005","26.1962","0.0017","90","","90","","90","","1658.95","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-phenylmalonpiperadide","2-phenyl-1,3-bis(piperidin-1-yl)propane-1,3-dione","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","GG1184","Lynch, Daniel E.; Spicer, Gillian E.; McClenaghan, Ian","2-Phenylmalonpiperadide and 2-phenylmalonmorpholide","Acta Crystallographica Section C","2003","59","12","o715","o718","10.1107/S0108270103021310","","","0.71073","MoKα","","0.2065","0.0689","","","0.125","0.1774","","","","","","0.936","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013623","8.39","0.0001","10.8464","0.0002","17.0838","0.0004","90","","90","","90","","1554.65","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-phenylmalonmorpholide","1,3-dimorpholino-2-phenylpropane-1,3-dione","","- C17 H22 N2 O4 -","- C17 H22 N2 O4 -","- C68 H88 N8 O16 -","4","1","GG1184","Lynch, Daniel E.; Spicer, Gillian E.; McClenaghan, Ian","2-Phenylmalonpiperadide and 2-phenylmalonmorpholide","Acta Crystallographica Section C","2003","59","12","o715","o718","10.1107/S0108270103021310","","","0.71073","MoKα","","0.0438","0.0391","","","0.1012","0.1034","","","","","","1.118","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013631","4.9163","0.0009","10.34","0.002","14.136","0.003","90","","90","","90","","718.6","0.2","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs H O7 Si3 -","- Cs O7 Si3 -","- Cs4 O28 Si12 -","4","1","IZ1030","Bull, Ivor; Parise, John B.","Cs[Si~3~O~6~(OH)] and Rb[Si~2~O~4~(OH)]: two novel phyllosilicates","Acta Crystallographica Section C","2003","59","10","i100","i102","10.1107/S0108270103014586","","","0.71073","MoKα","","","0.0326","","","","0.0816","","","","","","0.925","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013635","11.034","0.004","11.582","0.009","24.149","0.007","90","","90","","90","","3086","3","100","1","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 B K N O6 S -","- C31 H39 B K N O6 S -","- C124 H156 B4 K4 N4 O24 S4 -","4","1","JZ1569","Munro, Orde Q.; Pearson, Nicole","The isothiocyanate complex of triphenylborane forms an unusual coordination polymer with [K(18-crown-6)]^+^, both in the solid state and in solution","Acta Crystallographica Section C","2003","59","10","m407","m412","10.1107/S0108270103018262","","","0.71073","MoKα","","","0.0466","","","","0.0953","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013636","11.0652","0.0015","11.7696","0.0019","24.424","0.004","90","","90","","90","","3180.8","0.8","293","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 B K N O6 S -","- C31 H39 B K N O6 S -","- C124 H156 B4 K4 N4 O24 S4 -","4","1","JZ1569","Munro, Orde Q.; Pearson, Nicole","The isothiocyanate complex of triphenylborane forms an unusual coordination polymer with [K(18-crown-6)]^+^, both in the solid state and in solution","Acta Crystallographica Section C","2003","59","10","m407","m412","10.1107/S0108270103018262","","","0.71073","MoKα","","","0.0321","","","","0.0941","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013638","7.631","0.003","10.153","0.004","12.682","0.004","90","","90","","90","","982.6","0.6","96","0.1","96","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-methanesulfonyl-N-methyl-2-nitroaniline","","- C8 H10 N2 O4 S -","- C8 H10 N2 O4 S -","- C32 H40 N8 O16 S4 -","4","1","JZ1571","Zarychta, Bartosz; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.; Zaleski, Jacek","Rearrangement products of 3-methanesulfonyl-<i>N</i>-methyl-<i>N</i>-nitroaniline","Acta Crystallographica Section C","2003","59","10","o564","o566","10.1107/S0108270103017888","","","0.71073","MoKα","","0.0276","0.0234","","","0.0542","0.0563","","","","","","1.014","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013640","4.8653","0.001","8.873","0.002","18.739","0.003","90","","90","","90","","809","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","D-mannitol","","- C6 H14 O6 -","- C6 H14 O6 -","- C24 H56 O24 -","4","1","JZ1573","Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc","Three polymorphs (α, β, and δ) of <small>D</small>-mannitol at 100K","Acta Crystallographica Section C","2003","59","10","o567","o570","10.1107/S0108270103018961","","","0.71073","MoKα","","0.084","0.054","","","0.116","0.128","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013641","5.5381","0.001","8.58","0.002","16.795","0.005","90","","90","","90","","798","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","D-mannitol","","- C6 H14 O6 -","- C6 H14 O6 -","- C24 H56 O24 -","4","1","JZ1573","Fronczek, Frank R.; Kamel, Haidy Nasr; Slattery, Marc","Three polymorphs (α, β, and δ) of <small>D</small>-mannitol at 100K","Acta Crystallographica Section C","2003","59","10","o567","o570","10.1107/S0108270103018961","","","0.71073","MoKα","","0.046","0.036","","","0.092","0.095","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013664","5.0422","0.0014","8.016","0.003","9.284","0.003","90","","90","","90","","375.2","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","acetamideoxime","N-hydroxyethanimidamide","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","NA1623","Marilyn M. Olmstead; Javad J. Sahbari","Acetamidoxime","Acta Crystallographica Section C","2003","59","12","o719","o720","10.1107/S0108270103025587","","","1.54178","CuKα","","0.0285","0.0284","","","0.0722","0.0723","","","","","","1.264","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013669","7.3142","0.0005","18.2738","0.0005","18.4925","0.0005","90","","90","","90","","2471.67","0.19","293.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 F12 N4 P2 Pt -","- C18 H22 F12 N4 P2 Pt -","- C72 H88 F48 N16 P8 Pt4 -","4","1","OB1141","Koshiyama, Tamami; Kato, Masako","[(1<i>R</i>,2<i>R</i>)-1,2-Diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>'](α-diimine-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(hexafluorophosphate), where α-diimine is 2,2'-bipyridine and 1,10-phenanthroline","Acta Crystallographica Section C","2003","59","11","m446","m449","10.1107/S0108270103020869","","","0.7107","MoKα","","","0.0474","","","","0.1051","","","","","","1.256","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013675","9.6465","0.0006","10.7694","0.0007","5.0583","0.0003","90","","90","","90","","525.49","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Dinitroguanidine","","- C H3 N5 O4 -","- C H3 N5 O4 -","- C4 H12 N20 O16 -","4","1","SK1658","Vasiliev, Alexander D.; Astachov, Alexander M.; Molokeev, Maxim S.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.","1,2-Dinitroguanidine","Acta Crystallographica Section C","2003","59","10","o550","o552","10.1107/S0108270103017098","","","1.5406","CuKα","","0.025","0.024","","","0.065","0.066","","","","","","0.997","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013683","7.2545","0.0001","13.5417","0.0002","23.6387","0.0004","90","","90","","90","","2322.22","0.06","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2'-(p-fluorophenyl)-4-aza-pyrazolo[4',3':2,3]-5α-androstan-17β-yl acetate","","- C27 H34 F N3 O2 -","- C27 H34 F N3 O2 -","- C108 H136 F4 N12 O8 -","4","1","SK1673","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D.P.; Linden, Anthony","Two azasteroidal [3,2-<i>c</i>]pyrazole derivatives: 2'-(<i>p</i>-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5α-androstan-17β-yl acetate and 2'-(<i>p</i>-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5α-androstan-17β-ol","Acta Crystallographica Section C","2003","59","12","o724","o726","10.1107/S010827010302506X","","","0.71073","MoKα","","0.0595","0.0431","","","0.0936","0.1027","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013684","7.099","0.0002","14.8153","0.0004","20.2961","0.0004","90","","90","","90","","2134.62","0.09","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2'-(p-fluorophenyl)-4-aza-pyrazolo[4',3':2,3]-5α-androstan-17β-ol","","- C25 H32 F N3 O -","- C25 H32 F N3 O -","- C100 H128 F4 N12 O4 -","4","1","SK1673","Thamotharan, S.; Parthasarathi, V.; Gupta, Ranju; Jindal, D.P.; Linden, Anthony","Two azasteroidal [3,2-<i>c</i>]pyrazole derivatives: 2'-(<i>p</i>-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5α-androstan-17β-yl acetate and 2'-(<i>p</i>-fluorophenyl)-4-azapyrazolo[4',3':2,3]-5α-androstan-17β-ol","Acta Crystallographica Section C","2003","59","12","o724","o726","10.1107/S010827010302506X","","","0.71073","MoKα","","0.0493","0.0374","","","0.085","0.0915","","","","","","1.042","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013685","5.0809","0.0002","17.9228","0.0009","24.5005","0.0011","90","","90","","90","","2231.11","0.17","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-Alanyl-L-methionine hemihydrate","","- C8 H17 N2 O3.5 S -","- C8 H17 N2 O3.5 S -","- C64 H136 N16 O28 S8 -","8","2","SK1679","Görbitz, Carl Henrik","Water polymers in <small>L</small>-alanyl-<small>L</small>-methionine hemihydrate","Acta Crystallographica Section C","2003","59","12","o730","o732","10.1107/S0108270103025782","","","0.71073","MoKα","","0.0595","0.0402","","","0.0844","0.0901","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013690","7.0284","0.001","12.935","0.002","13.197","0.002","90","","90","","90","","1199.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(dicyanamido)(diethylenetriamine-κ^3^N)copper(II)","","- C8 H13 Cu N9 -","- C8 H13 Cu N9 -","- C32 H52 Cu4 N36 -","4","1","SQ1027","Jun, Luo; Xi-Geng, Zhou; Lin-Hong, Weng; Xiu-Feng, Hou","Bis(dicyanamido)(diethylenetriamine-κ^3^<i>N</i>)copper(II) and (dicyanamido)(triethylenetetramine-κ^4^<i>N</i>)copper(II) dicyanamide","Acta Crystallographica Section C","2003","59","10","m392","m395","10.1107/S0108270103017621","","","0.71073","MoKα","","0.0268","0.0254","","","0.0585","0.0591","","","","","","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2013698","5.5273","0.0005","13.4315","0.0013","26.074","0.002","90","","90","","90","","1935.7","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O5 -","- C22 H26 O5 -","- C88 H104 O20 -","4","1","SQ1137","Ilia A. Guzei; Robert W. Clark; Steven D. Burke; William T. Lambert","A comparison of the ring conformational properties of two derivatives prepared from the same diene diacetate precursor","Acta Crystallographica Section C","2003","59","12","o721","o723","10.1107/S0108270103025757","","","0.71073","MoKα","","0.0561","0.0497","","","0.1315","0.1353","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013719","10.2172","0.0013","13.358","0.0018","22.858","0.003","90","","90","","90","","3119.7","0.7","83","2","83","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 Cl2 N2 O2 P Pd -","- C32 H37 Cl2 N2 O2 P Pd -","- C128 H148 Cl8 N8 O8 P4 Pd4 -","4","1","TR1065","Masui, Dai; Ohnuki, Masatoshi; Yamaguchi, Motowo; Yamagishi, Takamichi","{Bis[(<i>S</i>)-2-(4-<i>tert</i>-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphoshine-κ^2^<i>N</i>,<i>P</i>}(1,3-dimethyl-π-allyl-κ^3^<i>C</i>)palladium(II) hexafluorophosphate and (<i>S</i>)~P~-{bis[(<i>S</i>)-2-(4-<i>tert</i>-butyl-4,5-dihydrooxazol-2-yl)phenyl]phenylphosphine-κ^2^<i>N</i>,<i>P</i>}dichloropalladium(II)","Acta Crystallographica Section C","2003","59","11","m487","m490","10.1107/S010827010302170X","","","0.71073","MoKα","","0.0422","0.036","","","0.0723","0.0913","","","","","","1.05","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2013746","18.171","0.004","22.13","0.005","23.251","0.007","90","","90","","90","","9350","4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Heptaaquatetra-μ~3~-hydroxy-hexa-μ~2~-L-leucine-(L-leucine)tetraytterbium(III) tetrachloratezinc(II) trichlorohydroxyzinc(II) tetrachloride octahydrate","","- C42 H126 Cl11 N7 O34 Yb4 Zn2 -","- C42 H126 Cl11 N7 O34 Yb4 Zn2 -","- C168 H504 Cl44 N28 O136 Yb16 Zn8 -","4","1","BM1556","Jinping Wang; Chunji Niu; Ninghai Hu","Heptaaquatetra-μ~3~-hydroxy-hexa-μ~2~-<small>L</small>-leucine-(<small>L</small>-leucine)tetraytterbium(III) tetrachlorozinc(II) trichlorohydroxyzinc(II) tetrachloride octahydrate","Acta Crystallographica Section C","2004","60","3","m143","m146","10.1107/S0108270104002264","","","0.71073","MoKα","","0.0993","0.0534","","","0.0939","0.1003","","","","","","1.062","","","","has coordinates,has Fobs","203832","2020-10-21","18:00:00",""
"2013778","13.0534","0.0016","14.9664","0.0018","21.356","0.003","90","","90","","90","","4172.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(8bS,13aS,14S,14aR)-8b,9,11,12,13,13a,14,14a-octahydro-14-hydroxy-2,3,6,7- tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinolin-11-one","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C192 H216 N8 O48 -","8","2","FR1452","Nygren, Cara; Chen, Tianniu; Zhong, Sanbao; Kaczmarek, Conrad; Turner, John F. C.; Baker, David C.","A pair of epimeric 13-hydroxy-2,3,6,7-tetramethoxy-8b,11,12,12a,13,13a-hexahydro-9<i>H</i>-9a-azacyclopenta[<i>b</i>]triphenylene-10-ones","Acta Crystallographica Section C","2004","60","3","o208","o210","10.1107/S0108270104001659","","","0.71073","MoKα","","0.0437","0.0326","","","0.0827","0.0861","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013786","15.889","0.005","22.07","0.007","25.941","0.008","90","","90","","90","","9097","5","123","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78.44 H138 Co N13 O28.04 P2 -","- C78.437 H134.874 Co N13 O28.042 P2 -","- C313.748 H539.496 Co4 N52 O112.168 P8 -","4","1","GA1038","Susan M. Chemaly; Helder M. Marques; Christopher B. Perry","Diisopropylphosphitocobalamin‒acetone‒water (1/3.48/7.56)","Acta Crystallographica Section C","2004","60","2","m88","m90","10.1107/S0108270104000344","","","0.71073","MoKα","","","0.041","","","","0.0949","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2013787","6.52","0.0013","10.172","0.002","18.871","0.004","90","","90","","90","","1251.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1,10-phenantholine-κ^2^N,N')(μ~3~-thiosulfato-κ^3^S:S:O)cadmium(II)","","- C12 H8 Cd N2 O3 S2 -","- C12 H8 Cd N2 O3 S2 -","- C48 H32 Cd4 N8 O12 S8 -","4","1","GA1040","Harvey, Miguel; Baggio, Sergio; Pardo, Helena; Baggio, Ricardo","A novel five-coordinate cadmium phenanthroline thiosulfate","Acta Crystallographica Section C","2004","60","2","m79","m81","10.1107/S0108270104000186","","","0.71073","MoKα","","0.0384","0.0305","","","0.0865","0.1402","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013807","3.9188","0.0002","12.6896","0.0006","27.7029","0.0016","90","","90","","90","","1377.61","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(4-Nitrophenyl)benzamide-2-carboxylic acid, orthorhombic polymorph","2-(4-nitrophenylaminocarbonyl)benzoic acid","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C56 H40 N8 O20 -","4","1","GG1204","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","π-Stacked hydrogen-bonded dimers in 2-(2-nitrophenylaminocarbonyl)benzoic acid, and hydrogen-bonded sheets in orthorhombic and monoclinic polymorphs of 2-(4-nitrophenylaminocarbonyl)benzoic acid","Acta Crystallographica Section C","2004","60","2","o120","o124","10.1107/S0108270103027914","","","0.71073","MoKα","","0.087","0.055","","","0.114","0.123","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013817","12.6847","0.0017","9.2934","0.0017","16.266","0.003","90","","90","","90","","1917.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17-Oxo-5α-androst-6-en-3β-yl acetate","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","NA1627","Paixão, J. I. F.; Salvador, J. A. R.; Paixão, J. A.; Beja, A. M.; Ramos Silva, M.; Gonsalves, A. M. d'A. R.","17-Oxo-5α-androst-6-en-3β-yl acetate","Acta Crystallographica Section C","2004","60","1","o72","o74","10.1107/S0108270103026933","","","0.71073","MoKα","","0.129","0.044","","","0.103","0.13","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013833","6.878","0.005","13.33","0.01","14.99","0.011","90","","90","","90","","1374.3","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,4-Dichlorophenyl 3-nitrobenzenesulfonate","","- C12 H7 Cl2 N O5 S -","- C12 H7 Cl2 N O5 S -","- C48 H28 Cl8 N4 O20 S4 -","4","1","OB1154","Nagarajan Vembu; Maruthai Nallu; Semih Durmus; Mathew Pazner; Jered Garrison; Wiley J. Youngs","2-Chlorophenyl 3-nitrobenzenesulfonate and 2,4-dichlorophenyl 3-nitrobenzenesulfonate: supramolecular aggregation through C‒H···O, π‒π and van der Waals interactions","Acta Crystallographica Section C","2004","60","1","o65","o68","10.1107/S0108270103027380","","","0.71073","MoKα","","0.0335","0.0321","","","0.0804","0.0813","","","","","","1.08","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013847","7.365","0.003","15.5549","0.0012","21.199","0.004","90","","90","","90","","2428.6","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β,7α,12α-triformyloxy-24-nor-5β-chol-22-ene","24-nor-5β-chol-22-ene-3β,7α,12α-triyl triformate","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","SK1674","Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Tavares da Silva, E.J.; Sá e Melo, M.L.; Fernandes Roleira, F.M.","3β,7α,12α-Triformyloxy-24-nor-5β-chol-22-ene","Acta Crystallographica Section C","2004","60","1","o82","o83","10.1107/S0108270103024521","","","1.5418","CuKα","","0.0471","0.0353","","","0.0936","0.1008","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013866","6.1318","0.0002","17.3938","0.0005","22.321","0.0007","90","","90","","90","","2380.65","0.13","160","2","160","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16-(4-isopropylbenzylidene)androst-4-ene-3,17-dione","","- C29 H36 O2 -","- C29 H36 O2 -","- C116 H144 O8 -","4","1","SK1688","Thamotharan, S.; Parthasarathi, V.; Dubey, S.; Jindal, D.P.; Linden, Anthony","16-(4-Isopropylbenzylidene)androst-4-ene-3,17-dione","Acta Crystallographica Section C","2004","60","2","o110","o112","10.1107/S0108270103028038","","","0.71073","MoKα","","0.0581","0.0446","","","0.1068","0.1156","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013877","10.4244","0.0004","11.4988","0.0005","15.1602","0.0005","90","","90","","90","","1817.22","0.12","206","1","206","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2α, 4α-dibenzyl-3α-tropanol","2α,4α-dibenzyl-8-methyl-8-azabicyclo[3.2.1]octane-3α-ol","","- C22 H27 N O -","- C22 H27 N O -","- C88 H108 N4 O4 -","4","1","SQ1138","Zheng, Guangrong; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.","Two isomers of 2,4-dibenzyl-8-azabicyclo[3.2.1]octan-3-ol","Acta Crystallographica Section C","2004","60","1","o9","o11","10.1107/S0108270103026520","","","0.71073","MoKα","","0.0605","0.043","","","0.0893","0.0957","","","","","","1.441","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013881","13.3857","0.0019","19.467","0.003","20.823","0.003","90","","90","","90","","5426","1.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chloro{2,2'-[(1S,2S)-1,2-diphenyl-1,2- ethanediylbis(nitrilomethylidyne]diphenolato-κ^4^O,N,N',O'}(ethanol- κO)manganese(III)","","- C30 H28 Cl Mn N2 O3 -","- C30 H28 Cl Mn N2 O3 -","- C240 H224 Cl8 Mn8 N16 O24 -","8","2","SQ1142","Korendovych, Ivan V.; Rybak-Akimova, Elena V.","Chloro{2,2'-[(1<i>S</i>,2<i>S</i>)-1,2-diphenyl-1,2-ethanediylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(ethanol-κ<i>O</i>)manganese(III)","Acta Crystallographica Section C","2004","60","2","m82","m84","10.1107/S0108270104000204","","","0.71073","MoKα","","0.0371","0.0299","","","0.0721","0.0762","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2013904","9.544","0.0019","15.711","0.003","15.888","0.003","90","","90","","90","","2382.3","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","vindoline","Methyl (3aR,4R,5S,5aR,10bR,13aR)-4-(acetyloxy)-3a-ethyl-5-hydroxy-8- methoxy-6-methyl-3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1- cd]carbazole-5-carboxylate","","- C25 H32 N2 O6 -","- C25 H32 N2 O6 -","- C100 H128 N8 O24 -","4","1","AV1168","Ruszkowska, Joanna; Chrobak, Robert; Maurin, Jan K.; Czarnocki, Zbigniew","Vindoline and 16-demethoxyvindoline: two catharanthus-derived alkaloids","Acta Crystallographica Section C","2004","60","5","o377","o380","10.1107/S0108270104004342","","","0.71073","MoKα","","0.1173","0.0408","","","0.1178","0.1453","","","","","","1.034","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013905","8.08","0.0016","11.32","0.002","24.212","0.005","90","","90","","90","","2214.6","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","16-demethoxyvindoline","Methyl (3aR,4R,5S,5aR,10bR,13aR)-4-(acetyloxy)-3a-ethyl-5-hydroxy-6-methyl- 3a,4,5,5a,6,11,12,13a-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C96 H120 N8 O20 -","4","1","AV1168","Ruszkowska, Joanna; Chrobak, Robert; Maurin, Jan K.; Czarnocki, Zbigniew","Vindoline and 16-demethoxyvindoline: two catharanthus-derived alkaloids","Acta Crystallographica Section C","2004","60","5","o377","o380","10.1107/S0108270104004342","","","0.71073","MoKα","","0.0921","0.0382","","","0.1109","0.1345","","","","","","1.025","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2013909","5.3131","0.0006","17.727","0.002","23.382","0.003","90","","90","","90","","2202.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","poly[[(2,2'-bipyridine-κ^2^N,N')manganese(II)]-μ~3~-N-tosyl-L-glutamato- κ^4^O,O':O'':O''']","","- C22 H21 Mn N3 O6 S -","- C22 H21 Mn N3 O6 S -","- C88 H84 Mn4 N12 O24 S4 -","4","1","AV1175","Fu-Pei Liang; Man-Sheng Chen; Rui-Xiang Hu; Zi-Lu Chen","A one-dimensional double-chain coordination polymer: [Mn(C~12~H~13~NO~6~S)(C~10~H~8~N~2~)]~<i>n~</i>","Acta Crystallographica Section C","2004","60","6","m269","m271","10.1107/S0108270104008893","","","0.71073","MoKα","","0.0288","0.025","","","0.0649","0.0671","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2013947","12.016","0.002","14.141","0.002","15.406","0.002","90","","90","","90","","2617.8","0.7","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,6β-dihydroxy-olean-12-en-27-oic acid","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","1","FA1051","Hong-Xiang Sun; Yuan-Jiang Pan","3β,6β-Dihydroxyolean-12-en-27-oic acid: a cytotoxic and apoptosis-inducing oleanane triterpenoid from the rhizome of <i>Astilbe chinensis</i>","Acta Crystallographica Section C","2004","60","4","o300","o302","10.1107/S0108270104005530","","","0.71073","MoKα","","0.0484","0.0367","","","0.0832","0.086","","","","","","0.941","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013954","12.227","0.004","12.936","0.003","21.51","0.006","90","","90","","90","","3402.2","1.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-{2-[(3,5-Di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl}- N-(5,7-dinitroquinolin-8-yl)-1-phenylmethanesulfonamide","","- C36 H35 N5 O7 S -","- C36 H35 N5 O7 S -","- C144 H140 N20 O28 S4 -","4","1","FG1728","Borbulevych, Oleg Ya.; Kurbatov, Sergey V.; Borisenko, Sergey N.; Olekhnovich, Lev P.","<i>N</i>-{2-[(3,5-Di-<i>tert</i>-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl}-<i>N</i>-(5,7-dinitroquinolin-8-yl)-1-phenylmethanesulfonamide: the nature of intramolecular shortened contacts","Acta Crystallographica Section C","2004","60","4","o235","o238","10.1107/S0108270104003439","","","0.71073","MoKα","","0.0627","0.0477","","","0.1118","0.1178","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013957","18.9555","0.0014","8.0426","0.0004","17.1475","0.001","90","","90","","90","","2614.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","catena-Poly[europium(III)-tri-μ-2,3-dimethoxybenzoato]","","- C27 H27 Eu O12 -","- C27 H27 Eu O12 -","- C108 H108 Eu4 O48 -","4","1","FG1732","Li, Xia; Zou, Ying-Quan; Zheng, Bo; Hu, Huai-Ming","<i>catena</i>-Poly[europium(III)-tri-μ-2,3-dimethoxybenzoato]","Acta Crystallographica Section C","2004","60","5","m197","m199","10.1107/S0108270104006080","","","0.71073","MoKα","","0.0328","0.0277","","","0.0662","0.0674","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013969","13.8441","0.0015","19.745","0.002","6.6606","0.0007","90","","90","","90","","1820.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","benzene-1,2,3-tricarboxylic acid N,N-dimethylformamide disolvate monohydrate","","- C15 H22 N2 O9 -","- C15 H22 N2 O9 -","- C60 H88 N8 O36 -","4","1","FG1747","Dale, Sophie H.; Elsegood, Mark R.J.","Hydrogen-bonding adducts of benzenepolycarboxylic acids with <i>N</i>,<i>N</i>-dimethylformamide: benzene-1,4-dicarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate, benzene-1,2,4,5-tetracarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate and benzene-1,2,3-tricarboxylic acid <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate","Acta Crystallographica Section C","2004","60","6","o444","o448","10.1107/S010827010400976X","","","0.71073","MoKα","","0.057","0.0494","","","0.1299","0.1381","","","","","","1.105","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013970","4.1443","0.0005","10.4459","0.0008","24.1758","0.0019","90","","90","","90","","1046.59","0.17","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Bromophenyl)-2-methyl-4-nitro-1H-imidazole","","- C10 H8 Br N3 O2 -","- C10 H8 Br N3 O2 -","- C40 H32 Br4 N12 O8 -","4","1","FG1748","Kubicki, Maciej","1-(4-Bromophenyl)-2-methyl-4-nitro-1<i>H</i>-imidazole: bifurcated Br···O halogen‒nitro bonds","Acta Crystallographica Section C","2004","60","5","o341","o343","10.1107/S010827010400650X","","","0.71073","MoKα","","0.0527","0.0399","","","0.0862","0.0973","","","","","","1.101","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013986","6.77","0.002","13.16","0.003","15.553","0.004","90","","90","","90","","1385.7","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-parasantonic acid","(-)-α,3a,7-trimethyl-5,8-dioxo-1,4-ethanoperhydropentalene-1-acetic acid","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","FR1475","Zinczuk, Juan; Ruveda, Edmundo A.; Thompson, Hugh W.; Lalancette, Roger A.","(‒)-Parasantonic acid and its enol lactone, (+)-parasantonide: observation of the rare acid-to-acid catemeric hydrogen-bonding mode in a γ,ε-diketocarboxylic acid","Acta Crystallographica Section C","2004","60","6","o408","o410","10.1107/S010827010400839X","","","0.71073","MoKα","","0.072","0.05","","","0.116","0.128","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013987","8.562","0.002","11.656","0.003","13.275","0.004","90","","90","","90","","1324.8","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-parasantonide","(-)-α,3a,7-trimethyl-5-oxo-1,4-ethenoperhydropentalene-1,8-carbolactone","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","FR1475","Zinczuk, Juan; Ruveda, Edmundo A.; Thompson, Hugh W.; Lalancette, Roger A.","(‒)-Parasantonic acid and its enol lactone, (+)-parasantonide: observation of the rare acid-to-acid catemeric hydrogen-bonding mode in a γ,ε-diketocarboxylic acid","Acta Crystallographica Section C","2004","60","6","o408","o410","10.1107/S010827010400839X","","","0.71073","MoKα","","0.106","0.052","","","0.079","0.093","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2013997","15.959","0.003","20.793","0.004","24.403","0.005","90","","90","","90","","8098","3","123","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","isoamylcobalamin acetone solvate hydrate","","","- C68.15 H126.61 Co N13 O27.03 P -","- C68.155 H122.11 Co N13 O27.035 P -","- C272.62 H488.44 Co4 N52 O108.14 P4 -","4","1","GD1306","Christopher B. Perry; Manuel A. Fernandes; Helder M. Marques","Isoamylcobalamin‒acetone‒water (1/0.385/12.650)","Acta Crystallographica Section C","2004","60","4","m165","m167","10.1107/S010827010400366X","","","0.71073","MoKα","","","0.0426","","","","0.1073","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014027","6.7444","0.0012","11.718","0.003","15.734","0.002","90","","90","","90","","1243.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C48 H52 N12 O20 -","4","1","JZ1612","Seela, Frank; Jawalekar, Anup M.; Eickmeier, Henning","1-(2-Deoxy-β-<small>D</small>-<i>erythro</i>-pentofuranosyl)-4-nitro-1<i>H</i>-indazole","Acta Crystallographica Section C","2004","60","6","o387","o389","10.1107/S0108270104008005","","","0.71073","MoKα","","0.0413","0.0375","","","0.101","0.105","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014042","8.7393","0.0009","8.9284","0.0009","15.9117","0.0017","90","","90","","90","","1241.6","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,3,10,10-Tetramethyl-1,2-dithia-5,8-diazacyclodeca-4,8-diene","","- C10 H18 N2 S2 -","- C10 H18 N2 S2 -","- C40 H72 N8 S8 -","4","1","OB1167","Jem-Mau Lo; Golam Mostafa; Ling-Yin Chang; Fen-Ling Liao; Tian-Huey Lu","3,3,10,10-Tetramethyl-1,2-dithia-5,8-diazacyclodeca-4,8-diene","Acta Crystallographica Section C","2004","60","4","o276","o277","10.1107/S0108270104004688","","","0.71073","MoKα","","0.076","0.0349","","","0.0688","0.0836","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014075","5.0127","0.0008","6.032","0.0009","21.79","0.003","90","","90","","90","","658.86","0.17","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-isocyano-4-nitrobenzene","p-Nitrophenyl isocyanide","","- C7 H4 N2 O2 -","- C7 H4 N2 O2 -","- C28 H16 N8 O8 -","4","1","SQ1151","Zeller, Matthias; Hunter, Allen D.","<i>p</i>-Nitrophenyl isocyanide","Acta Crystallographica Section C","2004","60","6","o415","o417","10.1107/S0108270104007115","","","0.71073","MoKα","","0.0308","0.0301","","","0.0801","0.0808","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014079","6.4796","0.0004","17.968","0.0009","16.0587","0.0009","90","","90","","90","","1869.64","0.18","173","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","SX1129","Palusiak, Marcin; Pfitzner, Arno; Zabel, Manfred; Grabowski, Sławomir J.; Epsztajn, Jan; Kowalska, Justyna A.","Isochroman derivatives and their tendency to crystallize in chiral space groups","Acta Crystallographica Section C","2004","60","4","o239","o241","10.1107/S0108270104003087","","","0.71073","MoKα","","","0.0282","","","","0.0681","","","","","","1.028","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014080","7.497","0.001","13.93","0.002","14.282","0.002","90","","90","","90","","1491.5","0.4","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","bergenin water solvate","4-methoxy-2-[tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl) pyran-2-yl]-α-resorcylic acid δ-lactone monohydrate","","- C14 H18 O10 -","- C14 H18 O10 -","- C56 H72 O40 -","4","1","SX1134","Ye, Yi-Ping; Sun, Hong-Xiang; Pan, Yuan-Jiang","Bergenin monohydrate from the rhizomae of <i>Astilbe chinensis</i>","Acta Crystallographica Section C","2004","60","6","o397","o398","10.1107/S0108270104008364","","","0.71073","MoKα","","0.0502","0.0364","","","0.084","0.0875","","","","","","0.956","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014081","11.1357","0.0017","11.8679","0.0014","12.3278","0.0019","90","","90","","90","","1629.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","nickel(II) (-)-sparteine dichloride","dichloro[(-)-sparteine-N,N']nickel(II)","","- C15 H26 Cl2 N2 Ni -","- C15 H26 Cl2 N2 Ni -","- C60 H104 Cl8 N8 Ni4 -","4","1","TA1437","Kang, Sung Kwon; Choi, Sung-Nak; Lee, Yong-Min","Dichloro[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>S</i>)-(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']nickel(II)","Acta Crystallographica Section C","2004","60","4","m174","m176","10.1107/S0108270104004494","","","0.71073","MoKα","","0.0841","0.0552","","","0.1174","0.1297","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014089","14.334","0.002","17.766","0.003","13.849","0.002","90","","90","","90","","3526.8","0.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trans-bis(1-methylimidazole)[(R)-N,N'-bis(alpha-phenylsalicylidene)-1,2- propanediaminato]cobalt(III) perchlorate","","- C37 H36 Cl Co N6 O6 -","- C37 H36 Cl Co N6 O6 -","- C148 H144 Cl4 Co4 N24 O24 -","4","1","AV1186","Hirotsu, Masakazu; Kojima, Masaaki; Nakajima, Kiyohiko; Kashino, Setsuo; Yoshikawa, Yuzo","An unexpected chelate conformation in <i>trans</i>-[(<i>R</i>)-<i>N</i>,<i>N</i>'-bis(α-phenylsalicylidene)propane-1,2-diaminato(2‒)]bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(III) perchlorate","Acta Crystallographica Section C","2004","60","9","m431","m432","10.1107/S0108270104016877","","","0.71069","MoKα","","0.0712","0.0384","","","","0.1152","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014152","8.897","0.003","9.003","0.003","14.577","0.005","90","","90","","90","","1167.6","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-bromomethyl-3-ethyl-1,4-dioxo-tetrahydro-pyrrolo[2,1-c][1,4]oxazine","","- C10 H14 Br N O3 -","- C10 H14 Br N O3 -","- C40 H56 Br4 N4 O12 -","4","1","GA1049","Yun-Yan, Kuang; Ming, Huo; Fen-Er, Chen","3-Bromomethyl-3-ethyl-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]oxazine-1,4-dione","Acta Crystallographica Section C","2004","60","7","o505","o506","10.1107/S010827010401131X","","","0.71073","MoKα","","0.0387","0.0297","","","0.0659","0.0692","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014153","8.198","0.002","9.303","0.002","22.644","0.005","90","","90","","90","","1727","0.7","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-Amino-3-methoxypyrimidino[5',4':16,17]oestra-1,3,5(10),16-tetraene","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C84 H100 N12 O4 -","4","1","GA1051","Matsumoto, Tomohiro; Matsumoto, Taisuke; Watanabe, Masataka; Mataka, Shuntaro; Thiemann, Thies","2'-Amino-3-methoxypyrimidino[5',4':16,17]estra-1,3,5(10),16-tetraene","Acta Crystallographica Section C","2004","60","7","o501","o502","10.1107/S0108270104012326","","","0.7107","MoKα","","","0.041","","","","0.112","","","","","","1.01","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014154","8.929","0.002","10.022","0.003","19.651","0.009","90","","90","","90","","1758.5","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-methyl-3,17-dioxo-16,17-seco-4-androstene-16-carbonitrile","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","GA1054","Lazar, Dušan; Klisurić, Olivera; Stanković, Slobodanka; Penov-Gaši, Katarina; Djurendić, Evgenija; Kovačević, Radmila","Structure‒activity relationships in 4- and 5-androstene: 3β-acetoxy-17-methyl-17-oxo-16,17-seco-5-androstene-16-carbonitrile and 17-methyl-3,17-dioxo-16,17-seco-4-androstene-16-carbonitrile","Acta Crystallographica Section C","2004","60","9","o671","o673","10.1107/S0108270104017457","","","1.5418","CuKα","","0.0473","0.0363","","","0.1074","0.1191","","","","","","0.908","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014155","5.946","0.002","16.12","0.002","20.746","0.003","90","","90","","90","","1988.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β-acetoxy-17-methyl-17-oxo-16,17-seco-5-androstene-16-carbonitrile","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","GA1054","Lazar, Dušan; Klisurić, Olivera; Stanković, Slobodanka; Penov-Gaši, Katarina; Djurendić, Evgenija; Kovačević, Radmila","Structure‒activity relationships in 4- and 5-androstene: 3β-acetoxy-17-methyl-17-oxo-16,17-seco-5-androstene-16-carbonitrile and 17-methyl-3,17-dioxo-16,17-seco-4-androstene-16-carbonitrile","Acta Crystallographica Section C","2004","60","9","o671","o673","10.1107/S0108270104017457","","","1.5418","CuKα","","0.0774","0.0401","","","0.1096","0.1358","","","","","","0.987","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014184","6.8229","0.0005","8.9565","0.0011","20.31","0.006","90","","90","","90","","1241.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N6 O4 -","- C11 H12 N6 O4 -","- C44 H48 N24 O16 -","4","1","HJ1011","Lin, Wenqing; Seela, Frank; Eickmeier, Henning; Reuter, Hans","1,<i>N</i>^6^-Etheno derivative of 7-deaza-2,8-diazaadenosine","Acta Crystallographica Section C","2004","60","8","o566","o568","10.1107/S010827010401409X","","","0.71073","MoKα","","0.0597","0.0435","","","0.1037","0.1141","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014239","6.13","0.0001","12.95","0.0002","23.68","0.0004","90","","90","","90","","1879.8","0.05","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(1-Benzenesulfonyl-1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","","- C22 H22 N2 O3 S -","- C22 H22 N2 O3 S -","- C88 H88 N8 O12 S4 -","4","1","SK1739","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(1-Phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one and (<i>Z</i>)-(<i>S</i>)-2-(1-phenylsulfonyl-1<i>H</i>-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-ol","Acta Crystallographica Section C","2004","60","9","o659","o661","10.1107/S0108270104015847","","","0.71073","MoKα","","0.0464","0.0378","","","0.0899","0.094","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014249","3.6675","0.0002","13.938","0.001","28.796","0.002","90","","90","","90","","1471.98","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Nitrobenzaldehyde hydrazone","","- C7 H7 N3 O2 -","- C7 H7 N3 O2 -","- C56 H56 N24 O16 -","8","2","SK1751","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded dimers in 2-nitrobenzaldehyde hydrazone and a three-dimensional hydrogen-bonded framework in 3-nitrobenzaldehyde hydrazone","Acta Crystallographica Section C","2004","60","9","o686","o689","10.1107/S0108270104018323","","","0.71073","MoKα","","0.111","0.0524","","","0.0964","0.1129","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014250","3.7231","0.0002","10.22","0.0007","19.4119","0.0012","90","","90","","90","","738.62","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Nitrobenzaldehyde hydrazone","","- C7 H7 N3 O2 -","- C7 H7 N3 O2 -","- C28 H28 N12 O8 -","4","1","SK1751","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Hydrogen-bonded dimers in 2-nitrobenzaldehyde hydrazone and a three-dimensional hydrogen-bonded framework in 3-nitrobenzaldehyde hydrazone","Acta Crystallographica Section C","2004","60","9","o686","o689","10.1107/S0108270104018323","","","0.71073","MoKα","","0.0455","0.0373","","","0.0881","0.092","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014253","4.0079","0.001","9.366","0.002","19.787","0.005","90","","90","","90","","742.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-chloroacetophenone","","- C8 H7 Cl O -","- C8 H7 Cl O -","- C32 H28 Cl4 O4 -","4","1","SQ1158","Britton, Doyle; Brennessel, William W.","<i>p</i>-Chloro-, <i>p</i>-bromo- and two polymorphs of <i>p</i>-iodoacetophenone","Acta Crystallographica Section C","2004","60","8","o552","o556","10.1107/S0108270104013824","","","0.71073","MoKα","","0.045","0.034","","","0.076","0.08","","","","","","1.033","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014313","5.424","0.002","11.08","0.003","21.647","0.005","90","","90","","90","","1300.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-tyrosine methyl ester hydrochloride methanol solvate","methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chloride methanol solvate","","- C11 H18 Cl N O4 -","- C11 H18 Cl N O4 -","- C44 H72 Cl4 N4 O16 -","4","1","BM1620","Bryndal, Iwona; Jaremko, Mariusz; Jaremko, Łukasz; Lis, Tadeusz","Comparison of the methyl ester of <small>L</small>-tyrosine hydrochloride and its methanol monosolvate","Acta Crystallographica Section C","2006","62","3","o111","o114","10.1107/S0108270106002137","","","1.5418","CuKα","","0.0415","0.0403","","","0.107","0.108","","","","","","1.06","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014368","4.7087","0.0004","14.1428","0.0012","23.2401","0.0019","90","","90","","90","","1547.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","methyl β-L-lactoside","Methyl 4-O-β-L-galactopyranosyl-β-D-glucopyranoside","","- C13 H24 O11 -","- C13 H24 O11 -","- C52 H96 O44 -","4","1","JZ1778","Pan, Qingfeng; Noll, Bruce C.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>L</small>-galactopyranosyl-β-<small>D</small>-glucopyranoside (methyl β-<small>L</small>-lactoside)","Acta Crystallographica Section C","2006","62","2","o82","o85","10.1107/S010827010504254X","","","0.71073","MoKα","","0.0406","0.0333","","","0.0832","0.0876","","","","","","1.041","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014372","8.5175","0.0006","11.3011","0.0008","17.0503","0.0013","90","","90","","90","","1641.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-2-tert-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine- 4-carbaldehyde","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","LN1192","Flock, Susanne; Bruhn, Clemens; Fink, Heinrich; Frauenrath, Herbert","The absolute configuration of (2<i>S</i>,4<i>S</i>)- and (2<i>R</i>,4<i>R</i>)-2-<i>tert</i>-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine-4-carbaldehyde","Acta Crystallographica Section C","2006","62","2","o101","o103","10.1107/S0108270106001119","","","0.71073","MoKα","","0.0292","0.0254","","","0.0576","0.0588","","","","","","0.954","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014373","8.5276","0.0006","11.309","0.0011","17.0624","0.0012","90","","90","","90","","1645.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,4R)-2-tert-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine- 4-carbaldehyde","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","LN1192","Flock, Susanne; Bruhn, Clemens; Fink, Heinrich; Frauenrath, Herbert","The absolute configuration of (2<i>S</i>,4<i>S</i>)- and (2<i>R</i>,4<i>R</i>)-2-<i>tert</i>-butyl-4-methyl-3-(4-tolylsulfonyl)-1,3-oxazolidine-4-carbaldehyde","Acta Crystallographica Section C","2006","62","2","o101","o103","10.1107/S0108270106001119","","","0.71073","MoKα","","0.0298","0.0282","","","0.0755","0.0762","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014398","6.4224","0.0003","7.2115","0.0005","23.6073","0.0016","90","","90","","90","","1093.38","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pyrrole-2-carbaldehyde isonicotinoylhydrazone monohydrate","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C44 H48 N16 O8 -","4","1","SK1894","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Pyrrole-2-carbaldehyde isonicotinoylhydrazone monohydrate redetermined at 120K","Acta Crystallographica Section C","2006","62","1","o47","o49","10.1107/S0108270105040230","","","0.71073","MoKα","","0.0627","0.0538","","","0.138","0.1479","","","","","","1.17","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014449","10.7136","0.0005","12.6846","0.0008","13.1078","0.0009","90","","90","","90","","1781.32","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","catharanthinol","catharanthinol methanol solvate","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","DN1063","Moisan, Lionel; Doris, Eric; Rousseau, Bernard; Thuéry, Pierre","Catharanthinol and dihydrocatharanthinol: two Iboga-class alkaloids","Acta Crystallographica Section C","2004","60","11","o792","o794","10.1107/S0108270104021808","","","0.71073","MoKα","","0.0509","0.0407","","","0.0845","0.0895","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014450","10.6728","0.0004","12.0168","0.0006","12.8132","0.0007","90","","90","","90","","1643.33","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","dihydrocatharanthinol","dihydrocatharanthinol monohydrate","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","DN1063","Moisan, Lionel; Doris, Eric; Rousseau, Bernard; Thuéry, Pierre","Catharanthinol and dihydrocatharanthinol: two Iboga-class alkaloids","Acta Crystallographica Section C","2004","60","11","o792","o794","10.1107/S0108270104021808","","","0.71073","MoKα","","0.0424","0.0353","","","0.0839","0.0882","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014460","6.8815","0.0006","9.3072","0.0014","19.499","0.003","90","","90","","90","","1248.9","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-amino-4-tolyl-1,3-thiazolium chloride dihydrate","","- C10 H15 Cl N2 O2 S -","- C10 H15 Cl N2 O2 S -","- C40 H60 Cl4 N8 O8 S4 -","4","1","FA1090","Lynch, Daniel E.; McClenaghan, Ian","2-Acetamido-4-<i>p</i>-tolyl-1,3-thiazole and 2-amino-4-<i>p</i>-tolyl-1,3-thiazolium chloride dihydrate","Acta Crystallographica Section C","2004","60","11","o815","o817","10.1107/S0108270104023418","","","0.71073","MoKα","","0.0969","0.0628","","","0.1383","0.1523","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014479","6.1333","0.0002","11.478","0.0005","35.447","0.002","90","","90","","90","","2495.4","0.2","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Benzyloxy-16-[(N-methyl-N-phenylamino)methylidene]oestra-1,3,5(10)-trien- 17-one","","- C33 H35 N O2 -","- C33 H35 N O2 -","- C132 H140 N4 O8 -","4","1","GA1072","Matsumoto, Taisuke; Watanabe, Masataka; Matsumoto, Tomohiro; Mataka, Shuntaro; Thiemann, Thies","3-Benzyloxy-16-[(<i>N</i>-methyl-<i>N</i>-phenylamino)methylidene]estra-1,3,5(10)-trien-17-one","Acta Crystallographica Section C","2004","60","11","o813","o814","10.1107/S0108270104022711","","","0.7107","MoKα","","","0.034","","","","0.062","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014495","10.903","0.002","13.068","0.002","24.4","0.004","90","","90","","90","","3476.5","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","kd-e-3-19 dmso","9,9'-(1,4-dioxane-2,5-diyldimethylenedioxy)di(7H-furo[3,2-g]chromen-7-one) dimethyl sulfoxide disolvate","","- C36 H40 O12 S2 -","- C36 H40 O12 S2 -","- C144 H160 O48 S8 -","4","1","GD1348","Mitsunobu Doi; Terue Nakamori; Makio Shibano; Masahiko Taniguchi; Nian-He Wang; Kimiye Baba","Candibirin A, a furanocoumarin dimer isolated from <i>Heracleum candicans</i> W<small>ALL</small>.","Acta Crystallographica Section C","2004","60","11","o833","o835","10.1107/S0108270104024291","","","0.71073","MoKα","","0.0411","0.037","","","0.0951","0.0986","","","","","","0.898","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014497","9.924","0.002","13.345","0.003","14.467","0.003","90","","90","","90","","1915.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 P Re -","- C20 H20 O4 P Re -","- C80 H80 O16 P4 Re4 -","4","1","GD1349","Hołyńska, Małgorzata; Lis, Tadeusz","Ethyltriphenylphosphonium perrhenate and (iodomethyl)triphenylphosphonium perrhenate","Acta Crystallographica Section C","2004","60","12","m648","m650","10.1107/S0108270104027192","","","0.71073","MoKα","","0.0259","0.0224","","","0.0394","0.0402","","","","","","1.016","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014500","12.2569","0.0006","12.5985","0.0006","16.8506","0.0009","90","","90","","90","","2602","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-methyl-1,3-benzenediol (orcin) 1,4-diazabicyclo[2.2.2]octane (1/1)","","- C13 H20 N2 O2 -","- C13 H20 N2 O2 -","- C104 H160 N16 O16 -","8","2","HJ1016","Jin, Zhi-Min; Lin, Chen-Shui; Wang, Hai-Bin; Hu, Mao-Lin; Shen, Liang","The 1:1 adduct of 5-methylbenzene-1,3-diol (orcin) and 1,4-diazabicyclo[2.2.2]octane","Acta Crystallographica Section C","2004","60","10","o765","o767","10.1107/S0108270104021936","","","0.71073","MoKα","","0.0641","0.0536","","","0.145","0.1569","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014550","5.3114","0.0003","5.6812","0.0005","24.645","0.002","90","","90","","90","","743.67","0.1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitrophthalimide","","- C8 H4 N2 O4 -","- C8 H4 N2 O4 -","- C32 H16 N8 O16 -","4","1","SK1783","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Isomeric nitrophthalimides: sheets built from N—H···O and C—H···O hydrogen bonds","Acta Crystallographica Section C","2004","60","12","o872","o875","10.1107/S0108270104026137","","","0.71073","MoKα","","0.0623","0.0432","","","0.1013","0.1095","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014564","7.9297","0.0003","12.3289","0.0007","25.1631","0.001","90","","90","","90","","2460.06","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucine 2-propanol solvate dihydrate","2,3-dimethoxystrychnidin-10-one 2-propanol solvate dihydrate","","- C26 H38 N2 O7 -","- C26 H38 N2 O7 -","- C104 H152 N8 O28 -","4","1","SQ1174","Agata Białońska; Zbigniew Ciunik","Brucine and two solvates","Acta Crystallographica Section C","2004","60","12","o853","o855","10.1107/S0108270104024874","","","0.71073","MoKα","","0.0318","0.029","","","0.0727","0.074","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014573","9.248","0.001","9.317","0.001","11.612","0.001","90","","90","","90","","1000.53","0.18","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aS,8aS)-4a-Methyl-3-methyleneperhydrochromen-2-one","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","SX1146","Krawczyk, Henryk; Śliwiński, Marcin; Wolf, Wojciech M.","X-ray investigations of bicyclic α-methylene-δ-valerolactones. II. (4a<i>S</i>,8a<i>S</i>)-4a-Methyl-3-methyleneperhydrochromen-2-one","Acta Crystallographica Section C","2004","60","12","o897","o899","10.1107/S0108270104027027","","","1.54178","CuKα","","0.029","0.0287","","","0.0876","0.0882","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014574","5.3382","0.0013","6.3827","0.0016","36.741","0.009","90","","90","","90","","1251.8","0.5","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Seryl-L-phenylalanine","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C48 H64 N8 O16 -","4","1","SX1147","Helle, Ina Høydal; Løkken, Camilla Victoria; Görbitz, Carl Henrik; Dalhus, Bjørn","<small>L</small>-Seryl-<small>L</small>-phenylalanine","Acta Crystallographica Section C","2004","60","10","o771","o772","10.1107/S0108270104021523","","","0.71073","MoKα","","0.0438","0.0383","","","0.0955","0.0982","","","","","","1.068","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014576","5.274","0.0001","7.022","0.0002","24.233","0.0007","90","","90","","90","","897.45","0.04","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","L-Methioninium chloride","(S)-1-Carboxy-3-(methylsulfanyl)propanaminium chloride","","- C5 H12 Cl N O2 S -","- C5 H12 Cl N O2 S -","- C20 H48 Cl4 N4 O8 S4 -","4","1","SX1150","Chruszcz, Maksymilian; Cymborowski, Marcin; Gawlicka-Chruszcz, Anna; Yasukawa, Shoichi; Ferrara, Joseph D.; Minor, Wladek","<small>L</small>-Methioninium chloride and <small>L</small>-selenomethioninium chloride at 103K","Acta Crystallographica Section C","2004","60","12","o868","o871","10.1107/S0108270104025223","","","0.71073","MoKα","","0.0191","0.0186","","","0.0496","0.0498","","","","","","1.07","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014577","5.237","0.0005","7.066","0.0003","25.096","0.0012","90","","90","","90","","928.67","0.11","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","L-Selenomethioninium chloride","(S)-1-Carboxy-3-(methylselanyl)propanaminium chloride","","- C5 H12 Cl N O2 Se -","- C5 H12 Cl N O2 Se -","- C20 H48 Cl4 N4 O8 Se4 -","4","1","SX1150","Chruszcz, Maksymilian; Cymborowski, Marcin; Gawlicka-Chruszcz, Anna; Yasukawa, Shoichi; Ferrara, Joseph D.; Minor, Wladek","<small>L</small>-Methioninium chloride and <small>L</small>-selenomethioninium chloride at 103K","Acta Crystallographica Section C","2004","60","12","o868","o871","10.1107/S0108270104025223","","","0.71073","MoKα","","0.0284","0.0264","","","0.068","0.0691","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014590","10.6758","0.0012","13.5533","0.0015","21.255","0.002","90","","90","","90","","3075.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,R)-Tricarbonyl{η^6^-2-[1-diphenylphosphino-1- (diphenylphosphino)ethyl]benzene}chromium(0)","","- C35 H28 Cr O3 P2 -","- C35 H28 Cr O3 P2 -","- C140 H112 Cr4 O12 P8 -","4","1","TR1096","Braun, Wolfgang; Calmuschi, Beatrice; Drexler, Hans-Joachim; Englert, Ulli; Heller, Detlef; Salzer, Albrecht","(<i>R</i>,<i>R</i>)-Tricarbonyl{η^6^-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}chromium(0), (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-norbornadiene]chromium(0)rhodium(I) tetrafluoroborate methanol 0.75-solvate and (<i>R</i>,<i>R</i>)-tricarbonyl-1κ^3^<i>C</i>-{μ-1(η^6^):2κ^2^<i>P</i>,<i>P</i>'-1-(diphenylphosphino)-2-[1-(diphenylphosphino)ethyl]benzene}[2(η^4^)-(<i>Z</i>,<i>Z</i>)-cycloocta-1,5-diene]chromium(0)rhodium(I) tetrafluoroborate methanol 1.5-solvate","Acta Crystallographica Section C","2004","60","10","m532","m536","10.1107/S0108270104020773","","","0.71073","MoKα","","0.0481","0.0416","","","0.0946","0.0979","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014604","4.604","0.002","12.514","0.004","14.422","0.004","90","","90","","90","","830.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-amidino-4-hydroxyproline","N-Amidino-4-hydroxy-L-proline monohydrate","","- C6 H13 N3 O4 -","- C6 H13 N3 O4 -","- C24 H52 N12 O16 -","4","1","AV1216","Ślepokura, Katarzyna; Gawłowska, Monika","<i>N</i>-Amidino-4-hydroxy-<small>L</small>-proline monohydrate and <i>N</i>-amidino-<small>L</small>-methionine monohydrate","Acta Crystallographica Section C","2005","61","1","o25","o28","10.1107/S0108270104029373","","","0.71073","MoKα","","0.0502","0.0385","","","0.0776","0.0813","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014640","7.777","0.002","11.575","0.003","20.16","0.005","90","","90","","90","","1814.8","0.8","293","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-2-methoxymethyl-1-(ferrocenylmethyl)pyrrolidinium iodide","","- C17 H24 Fe I N O -","- C17 H24 Fe I N O -","- C68 H96 Fe4 I4 N4 O4 -","4","1","FA1094","Palusiak, Marcin; Janowska, Izabela; Zakrzewski, Janusz; Grabowski, Sławomir J.","Charge-assisted N—H···I and C—H···I hydrogen bonding in (1<i>R</i>,2<i>S</i>)-1-(ferrocenylmethyl)-2-(methoxymethyl)pyrrolidinium iodide","Acta Crystallographica Section C","2005","61","1","m55","m57","10.1107/S0108270104027581","","","0.71073","MoKα","","","0.0241","","","","0.0436","","","","","","0.815","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014642","12.115","0.003","12.225","0.004","15.71","0.003","90","","90","","90","","2326.7","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nimbolide","(4α,5α,6α,7α,15β,17α)-7,15:21,23-diepoxy-6 -hydroxy-4,8-dimethyl-1-oxo-18,24-dinor-11,12-secochola-2,13,20,22-tetraene- 4,11-dicarboxylic acid γ-lactone methyl ester","","- C27 H30 O7 -","- C27 H30 O7 -","- C108 H120 O28 -","4","1","FA1106","Solomon, K. Anand; Malathi, R.; Rajan, S. S.; Anitha, G.; Raj, J. Josepha Lourdu; Narasimhan, S.; Suresh, G.; Gopalakrishnan, Geetha","The isomeric compounds nimbolide and isonimbolide","Acta Crystallographica Section C","2005","61","2","o70","o72","10.1107/S0108270104031385","","","1.54178","CuKα","","0.0841","0.0585","","","0.162","0.1832","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014643","9.026","0.002","14.009","0.018","18.495","0.005","90","","90","","90","","2339","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isonimbolide","(4α,5α,6α,7α,15α)-7,15:21,23-diepoxy-6-hydroxy- 4,8-dimethyl-1-oxo-18,24-dinor-11,12-secochola-2,16,20,22-tetraene-4,11- dicarboxylic acid γ-lactone methyl ester","","- C27 H30 O7 -","- C27 H30 O7 -","- C108 H120 O28 -","4","1","FA1106","Solomon, K. Anand; Malathi, R.; Rajan, S. S.; Anitha, G.; Raj, J. Josepha Lourdu; Narasimhan, S.; Suresh, G.; Gopalakrishnan, Geetha","The isomeric compounds nimbolide and isonimbolide","Acta Crystallographica Section C","2005","61","2","o70","o72","10.1107/S0108270104031385","","","0.71073","MoKα","","0.2353","0.0655","","","0.1429","0.1976","","","","","","0.983","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014646","9.2411","0.0009","16.934","0.002","17.9235","0.0018","90","","90","","90","","2804.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-N-tosyl-L-glutamic acid","(+)-N-[(4-methylphenyl)sulfonyl]-L-glutamic acid","","- C12 H15 N O6 S -","- C12 H15 N O6 S -","- C96 H120 N8 O48 S8 -","8","2","FA1112","Zachara, Janusz; Madura, Izabela; Hajmowicz, Halina; Synoradzki, Ludwik","The hydrogen-bonding network in (+)-<i>N</i>-tosyl-<small>L</small>-glutamic acid","Acta Crystallographica Section C","2005","61","3","o181","o184","10.1107/S0108270105002088","","","0.71073","MoKα","","0.0315","0.0276","","","0.0727","0.0747","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014683","6.6513","0.0008","9.603","0.005","21.481","0.003","90","","90","","90","","1372","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N5 O4 -","- C12 H17 N5 O4 -","- C48 H68 N20 O16 -","4","1","GA1089","Seela, Frank; Zhang, Yun-Long; Xu, Kui-Ying; Eickmeier, Henning","7-Vinyl-8-aza-7-deaza-2'-deoxyadenosine monohydrate","Acta Crystallographica Section C","2005","61","1","o60","o62","10.1107/S0108270104029476","","","0.71073","MoKα","","0.1252","0.0583","","","0.094","0.1131","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014695","10.7732","0.0004","18.3479","0.0007","27.5862","0.0009","90","","90","","90","","5452.8","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(tetrabutylammonium) tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV)","","- C41 H72 N2 O3 S12 Sn -","- C41 H72 N2 O3 S12 Sn -","- C164 H288 N8 O12 S48 Sn4 -","4","1","GG1230","Comerlato, Nadia M.; Ferreira, Glaucio B.; Harrison, William T. A.; Howie, R. Alan; Wardell, James L.","Bis(tetra-<i>n</i>-butylammonium) and bis(tetraphenylphosphonium) salts of tris(2-oxo-1,3-dithiole-4,5-dithiolato)stannate(IV), both at 120K","Acta Crystallographica Section C","2005","61","3","m139","m143","10.1107/S0108270105001782","","","0.71073","MoKα","","0.0844","0.05","","","0.0988","0.1097","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014697","5.4146","0.0012","10.969","0.002","19.968","0.004","90","","90","","90","","1186","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","7-Deaza-2'-deoxyguanosine","2-amino-7-(2-deoxy-β-D-erythro-pentofuranosyl-3,7- dihydropyrrolo[2,3-d]pyrimidin-4-one","","- C11 H14 N4 O4 -","- C11 H14 N4 O4 -","- C44 H56 N16 O16 -","4","1","GG1237","Seela, Frank; Shaikh, Khalil I.; Eickmeier, Henning","7-Deaza-2'-deoxyguanosine","Acta Crystallographica Section C","2005","61","3","o151","o153","10.1107/S0108270105000971","","","0.71073","MoKα","","0.0808","0.0507","","","0.1063","0.1195","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014699","7.398","0.002","8.413","0.002","38.628","0.011","90","","90","","90","","2404.2","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate","(S,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl 4,7,7-trimethyl-3-oxo-2-oxobicyclo[2.2.1]heptane-1-carboxylate","","- C28 H32 O5 -","- C28 H32 O5 -","- C112 H128 O20 -","4","1","HJ1032","Esterhuysen, Catharine; Bredenkamp, Martin W.; Lloyd, Gareth O.","Resolution of (<i>S</i>,<i>S</i>)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization","Acta Crystallographica Section C","2005","61","1","o32","o34","10.1107/S0108270104029671","","","0.71073","MoKα","","0.0531","0.0385","","","0.0777","0.082","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014700","7.071","0.0005","6.85","0.0004","48.717","0.004","90","","90","","90","","2359.7","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(R,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate","(R,S)-4-(2,2,4-trimethylchroman-4-yl)phenyl 4,7,7-trimethyl-3-oxo-2-oxobicyclo[2.2.1]heptane-1-carboxylate","","- C28 H32 O5 -","- C28 H32 O5 -","- C112 H128 O20 -","4","1","HJ1032","Esterhuysen, Catharine; Bredenkamp, Martin W.; Lloyd, Gareth O.","Resolution of (<i>S</i>,<i>S</i>)-4-(2,2,4-trimethylchroman-4-yl)phenyl camphanate and its 4-chromanyl epimer by crystallization","Acta Crystallographica Section C","2005","61","1","o32","o34","10.1107/S0108270104029671","","","0.71073","MoKα","","0.0839","0.067","","","0.1236","0.1306","","","","","","1.191","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2014722","7.5939","0.001","9.2822","0.0018","18.164","0.002","90","","90","","90","","1280.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Bromo-1-(2-deoxy-β-D-erythro-pentofuranosyl)-1H- pyrazolo[3,4-d]pyrimidine-4,6-diamine","","- C10 H13 Br N6 O3 -","- C10 H13 Br N6 O3 -","- C40 H52 Br4 N24 O12 -","4","1","SK1785","Seela, Frank; Sirivolu, Venkata Ramana; He, Junlin; Eickmeier, Henning","3-Bromo-1-(2-deoxy-β-<small>D</small>-<i>erythro</i>-pentofuranosyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamine: a nucleoside which strongly enhances DNA duplex stability","Acta Crystallographica Section C","2005","61","2","o67","o69","10.1107/S0108270104032123","","","0.71073","MoKα","","0.0909","0.0563","","","0.1224","0.1394","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014723","6.742","0.007","12.174","0.004","25.893","0.006","90","","90","","90","","2125","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17-Oxo-5α-androstane-3α,4β-diyl diacetate","","- C23 H34 O5 -","- C23 H34 O5 -","- C92 H136 O20 -","4","1","SK1786","Andrade, L.C.R.; Paixão, J.A.; de Almeida, M.J.M.; Fernandes Roleira, F.M.; Tavares da Silva, E.J.","17-Oxo-5α-androstane-3α,4β-diyl diacetate and 17-oxo-5β-androstane-3α,4β-diyl diacetate","Acta Crystallographica Section C","2005","61","3","o131","o133","10.1107/S0108270104034250","","","0.71073","MoKα","","0.1132","0.0408","","","0.0918","0.1274","","","","","","1.004","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014750","9.955","0.004","6.9722","0.0012","14.673","0.004","90","","90","","90","","1018.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-hydroxy-3-methoxy-4-methyl-5,6,7,8-tetrahydropyrido[1,2-c]pyrimidin- 1(8aH)-one","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C40 H56 N8 O12 -","4","1","SQ1186","Cetina, Mario; Nagl, Ante; Prekupec, Svjetlana; Raić-Malić, Silvana; Mintas, Mladen","Hydrogen-bonding and C—H···π interactions in 7-hydroxy-3-methoxy-4-methyl-5,6,7,8-tetrahydropyrido[1,2-<i>c</i>]pyrimidin-1(9<i>H</i>)-one","Acta Crystallographica Section C","2005","61","3","o158","o160","10.1107/S010827010500079X","","","0.71073","MoKα","","0.0688","0.0399","","","0.0973","0.1077","","","","","","1.063","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014765","7.5466","0.0015","9.042","0.002","22.412","0.008","90","","90","","90","","1529.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1H- pyrazole-4-carboxylate","","- C13 H18 N6 O2 -","- C13 H18 N6 O2 -","- C52 H72 N24 O8 -","4","1","AV1221","Chao Wu; You-Quan Zhu; Hua-Bin Li; Jian-Rong Li; Xue-Ling Ren; Bin Li; Hua-Zheng Yang","Ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1<i>H</i>-pyrazole-4-carboxylate and ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-(2-nitrophenylsulfonyl)-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section C","2005","61","5","o281","o283","10.1107/S0108270105007821","","","0.71073","MoKα","","0.0457","0.0378","","","0.0959","0.1013","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014767","8.825","0.004","14.401","0.006","17.033","0.007","90","","90","","90","","2164.7","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-4-(4,6-dimethylpyrimidin-2-ylsulfanyl)-5-[(2S,5R)-2-isopropyl- 5-methylcyclohexyloxy]-2,3,4,5-tetrahydrofuran-2-one","","- C20 H30 N2 O3 S -","- C20 H30 N2 O3 S -","- C80 H120 N8 O12 S4 -","4","1","AV1224","Lan He; Yu-Mei Liu; Wei Zhang; Qing-Hua Chen","Two new chiral nucleoside analogues: (4<i>R</i>,5<i>R</i>)-4-(4,6-dimethylpyrimidin-2-ylsulfanyl)-5-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-2,3,4,5-tetrahydrofuran-2-one and (4<i>R</i>,5<i>R</i>)-5-[(2<i>S</i>,5<i>R</i>)-isopropyl-5-methylcyclohexyloxy]-4-(4-methyl-1,3-thiazol-2-ylamino)-2,3,4,5-tetrahydrofuran-2-one","Acta Crystallographica Section C","2005","61","6","o390","o392","10.1107/S0108270105007833","","","0.71073","MoKα","","0.0509","0.0372","","","0.0887","0.0967","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014768","8.841","0.003","11.203","0.003","19.692","0.006","90","","90","","90","","1950.4","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-5-[(2S,5R)-2-isopropyl-5-methylcyclohexyloxy)-4-(4-methyl-1,3- thiazol-2-ylamino)-2,3,4,5-tetrahydrofuran-2-one","","- C18 H28 N2 O3 S -","- C18 H28 N2 O3 S -","- C72 H112 N8 O12 S4 -","4","1","AV1224","Lan He; Yu-Mei Liu; Wei Zhang; Qing-Hua Chen","Two new chiral nucleoside analogues: (4<i>R</i>,5<i>R</i>)-4-(4,6-dimethylpyrimidin-2-ylsulfanyl)-5-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-2,3,4,5-tetrahydrofuran-2-one and (4<i>R</i>,5<i>R</i>)-5-[(2<i>S</i>,5<i>R</i>)-isopropyl-5-methylcyclohexyloxy]-4-(4-methyl-1,3-thiazol-2-ylamino)-2,3,4,5-tetrahydrofuran-2-one","Acta Crystallographica Section C","2005","61","6","o390","o392","10.1107/S0108270105007833","","","0.71073","MoKα","","0.0641","0.0418","","","0.0897","0.0985","","","","","","1.059","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014799","7.3269","0.0011","10.079","0.0016","21.813","0.003","90","","90","","90","","1610.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-Aza-7-deaza-7-propynyladenosine methanol solvate","4-amino-3-propynyl-1-(β-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine methanol solvate","","- C14 H19 N5 O5 -","- C14 H19 N5 O5 -","- C56 H76 N20 O20 -","4","1","FG1796","Lin, Wenqing; Xu, Kui-Ying; Eickmeier, Henning; Seela, Frank","8-Aza-7-deaza-7-propynyladenosine methanol solvate","Acta Crystallographica Section C","2005","61","4","o195","o197","10.1107/S0108270105001927","","","0.71073","MoKα","","0.0755","0.0544","","","0.1494","0.1639","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014823","14.1206","0.0019","14.169","0.002","12.372","0.002","90","","90","","90","","2475.3","0.6","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cobaloxime","bis(dimethylglyoximato-κ^2^N,N')[(R)-1-(N-methylcarbamoyl)ethyl][(R)- 1-phenylethylamine]cobalt(III) monohydrate","","- C20 H35 Co N6 O6 -","- C20 H35 Co N6 O6 -","- C80 H140 Co4 N24 O24 -","4","1","GD1367","Orisaku, Keiko Komori; Hagiwara, Mieko; Ohgo, Yoshiki; Arai, Yoshifusa; Ohgo, Yoshiaki","[(<i>S</i>)-1-Carbamoylethyl]bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>S</i>)-1-phenylethylamine]cobalt(III) and bis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')[(<i>R</i>)-1-(<i>N</i>-methylcarbamoyl)ethyl][(<i>R</i>)-1-phenylethylamine]cobalt(III) monohydrate","Acta Crystallographica Section C","2005","61","4","m190","m193","10.1107/S0108270105004725","","","0.71069","MoKα","","0.1613","0.0381","","","0.0783","0.1048","","","","","","0.981","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2014841","6.728","0.002","7.455","0.002","19.829","0.005","90","","90","","90","","994.6","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-(3R,3aR,6R,7aR)-hexahydro-7a-hydroxy-3,6-dimethylbenzo[a]furan-2-one'","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","GG1241","Davison, Mark; Kikolski, Elizabeth M.; Mostafavi, David; Lalancette, Roger A.; Thompson, Hugh W.","Two (+)-α,4-dimethyl-2-oxocyclohexaneacetic acids: hydrogen bonding in a terpenoid γ-keto acid and in a diastereomeric lactol","Acta Crystallographica Section C","2005","61","4","o249","o252","10.1107/S0108270105004944","","","0.71073","MoKα","","0.057","0.038","","","0.075","0.082","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014851","9.227","0.003","15.323","0.006","16.504","0.006","90","","90","","90","","2333.4","1.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[(R)-1-(2-Hydroxy-5-methylphenyl)ethyl]-N-[(R)-1-(2-methoxy-5- methylphenyl)-2-phenylethyl]aminium chloride","","- C25 H30 Cl N O2 -","- C25 H30 Cl N O2 -","- C100 H120 Cl4 N4 O8 -","4","1","HJ1041","Yang, Xiao-Feng; Zhang, Guang-You; Zhang, Yan; Zhao, Jin-Yan; Wang, Xiang-Bo","<i>N</i>-[(<i>R</i>)-1-(2-Hydroxy-5-methylphenyl)ethyl]-<i>N</i>-[(<i>R</i>)-1-(2-methoxy-5-methylphenyl)-2-phenylethyl]aminium chloride","Acta Crystallographica Section C","2005","61","4","o262","o264","10.1107/S0108270105005676","","","0.71073","MoKα","","0.0619","0.0377","","","0.083","0.0966","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014855","7.5229","0.0017","13.083","0.003","22.149","0.005","90","","90","","90","","2180","0.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-Methyl-2-pyridone","6-Methyl-2-pyridone","","- C6 H7 N O -","- C6 H7 N O -","- C96 H112 N16 O16 -","16","4","HJ1052","Nichol, Gary S.; Clegg, William","6-Methyl-2-pyridone: an elusive structure finally solved","Acta Crystallographica Section C","2005","61","6","o383","o385","10.1107/S0108270105012485","","","0.6768","synchrotron","","0.0966","0.0504","","","0.1073","0.1275","","","","","","1.047","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014860","6.878","0.0018","10.144","0.002","17.283","0.002","90","","90","","90","","1205.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-Fluoro-2'-deoxytubercidin","","- C11 H13 F N4 O3 -","- C11 H13 F N4 O3 -","- C44 H52 F4 N16 O12 -","4","1","JZ1715","Seela, Frank; Xu, Kui-Ying; Eickmeier, Henning","2'-Deoxy-5-fluorotubercidin","Acta Crystallographica Section C","2005","61","6","o408","o410","10.1107/S0108270105014265","","","0.71073","MoKα","","0.0703","0.0446","","","0.1049","0.1196","","","","","","1.035","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014865","9.0307","0.0009","10.4375","0.0012","16.1471","0.0018","90","","90","","90","","1522","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[copper(II)-μ-L-tyrosyl-L-leucinato]","","- C15 H20 Cu N2 O4 -","- C15 H20 Cu N2 O4 -","- C60 H80 Cu4 N8 O16 -","4","1","OB1224","Ricardo Baggio; Nieves M. C. Casado; Rafael Calvo; Raul E. Rapp; María Teresa Garland","<i>catena</i>-Poly[copper(II)-μ-<small>L</small>-tyrosyl-<small>L</small>-leucinato]","Acta Crystallographica Section C","2005","61","5","m250","m252","10.1107/S010827010500987X","","","0.71073","MoKα","","0.09","0.048","","","0.094","0.111","","","","","","1.015","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2014879","11.9288","0.0006","7.0604","0.0002","13.8337","0.0007","90","","90","","90","","1165.1","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Phenyl-4-nitrophthalimide","","- C14 H8 N2 O4 -","- C14 H8 N2 O4 -","- C56 H32 N8 O16 -","4","1","SK1814","Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, James L.","Chains of edge-fused hydrogen-bonded <i>R</i>~3~^3^(12) rings in <i>N</i>-phenyl-4-nitrophthalimide","Acta Crystallographica Section C","2005","61","4","o209","o210","10.1107/S0108270105004245","","","0.71073","MoKα","","0.0818","0.0677","","","0.1623","0.1705","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014920","7.381","0.0002","10.8016","0.0003","22.1319","0.0005","90","","90","","90","","1764.5","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-4-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine","","- C22 H19 N3 O2 -","- C22 H19 N3 O2 -","- C88 H76 N12 O8 -","4","1","SK1842","Torres, Harlen; Braulio Insuasty; Cobo, Justo; Low, John N.; Glidewell, Christopher","1-Benzyl-4-(4-nitrophenyl)-2,3-dihydro-1<i>H</i>-1,5-benzodiazepine: a three-dimensional framework structure generated by two C—H···O hydrogen bonds and one C—H···π(arene) hydrogen bond","Acta Crystallographica Section C","2005","61","6","o404","o407","10.1107/S010827010501379X","","","0.71073","MoKα","","0.0485","0.0438","","","0.1036","0.1065","","","","","","1.159","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2014927","6.075","0.0011","11.6306","0.0015","14.484","0.002","90","","90","","90","","1023.4","0.3","120","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Hydroxybenzylideneaniline","2-(phenyliminomethyl)phenol","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","SQ1198","Arod, Frédéric; Gardon, Manuel; Pattison, Philip; Chapuis, Gervais","The α~2~-polymorph of salicylideneaniline","Acta Crystallographica Section C","2005","61","5","o317","o320","10.1107/S010827010500911X","","","0.71073","MoKα","","0.0548","0.0412","","","0.0952","0.1008","","","","","","1.025","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014928","6.1555","0.0002","12.399","0.0002","13.3019","0.0002","90","","90","","90","","1015.23","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aR,8aR)-4a-Methoxy-3-methyleneperhydrochromen-2-one","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","SQ1200","Wojciechowski, Jakub; Krawczyk, Henryk; Śliwiński, Marcin; Wolf, Wojciech M.","X-ray investigations of bicyclic α-methylene-δ-valerolactones. III. <i>trans</i>-(4a<i>R</i>,8a<i>R</i>)-4a-Methoxy-3-methyleneperhydrochromen-2-one","Acta Crystallographica Section C","2005","61","6","o351","o353","10.1107/S0108270105010607","","","1.54178","CuKα","","0.0299","0.0295","","","0.0794","0.0799","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2014936","7.3244","0.0004","8.7417","0.0005","20.0952","0.0012","90","","90","","90","","1286.65","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Strontium D-glutamate hexahydrate","Strontium D-glutamate hexahydrate","","- C5 H19 N O10 Sr -","- C5 H19 N O10 Sr -","- C20 H76 N4 O40 Sr4 -","4","1","SX1171","Stephan Christgau; Jette Odderhede; Kenny Stahl; Jens E. T. Andersen","Strontium <small>D</small>-glutamate hexahydrate and strontium di(hydrogen <small>L</small>-glutamate) pentahydrate","Acta Crystallographica Section C","2005","61","6","m259","m262","10.1107/S0108270105011820","","","0.71073","MoKα","","0.0325","0.0277","","","0.0497","0.0507","","","","","","0.886","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2014968","7.7856","0.0002","10.4801","0.0003","16.7489","0.0005","90","","90","","90","","1366.61","0.07","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-3-(2-Methyl-2-nitrovinyl)-2-phenyl-1H-indole","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","BM1609","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-2-Methyl-3-(2-methyl-2-nitrovinyl)-1<i>H</i>-indole and (<i>E</i>)-3-(2-methyl-2-nitrovinyl)-2-phenyl-1<i>H</i>-indole","Acta Crystallographica Section C","2005","61","8","o527","o530","10.1107/S0108270105022298","","","0.71073","MoKα","","0.08","0.0441","","","0.0918","0.1063","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015001","28.882","0.006","9.198","0.002","5.605","0.001","90","","90","","90","","1489","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride","","- C15 H14 Cl N3 S -","- C15 H14 Cl N3 S -","- C60 H56 Cl4 N12 S4 -","4","1","GD1394","Camerman, Arthur; Hempel, Andrew; Mastropaolo, Donald; Camerman, Norman","Stereochemical basis for activity in thiadiazole anticonvulsants: 1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride and two inactive analogues, 2-(biphenyl-4-yl)-5-[2-(1-methylethylidene)hydrazino]-1,3,4-thiadiazole and the methanol solvate of its hydrochloride salt","Acta Crystallographica Section C","2005","61","7","o427","o430","10.1107/S0108270105015891","","","1.54178","CuKα","","0.0923","0.0565","","","0.1158","0.1235","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015016","6.6037","0.0005","11.3935","0.001","30.143","0.002","90","","90","","90","","2267.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-dichlorobis[(1R,2R,3R,5S)-(-)-isopinocampheylamine]palladium(II)","trans-dichlorobis[(1R,2R,3R,5S)-(-)-2,6,6-trimethylbicyclo[3.1.1]heptan-3- amine]palladium(II)","","- C20 H38 Cl2 N2 Pd -","- C20 H38 Cl2 N2 Pd -","- C80 H152 Cl8 N8 Pd4 -","4","1","GZ1007","Vázquez, Jaime; Bernès, Sylvain; Meléndez, Ruth; Portillo, Roberto; Gutiérrez, René","Conformational change induced by hydration: <i>trans</i>-dichlorobis[(1<i>R</i>,2<i>R</i>,3<i>R</i>,5<i>S</i>)-(‒)-isopinocampheylamine]palladium(II) and <i>trans</i>-dichlorobis[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-(+)-isopinocampheylamine]palladium(II) hemihydrate","Acta Crystallographica Section C","2005","61","9","m424","m427","10.1107/S0108270105024315","","","0.71073","MoKα","","0.0436","0.0357","","","0.0829","0.0866","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015027","5.7155","0.00005","11.2429","0.0001","25.2146","0.0002","90","","90","","90","","1620.26","0.02","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","pentalanthanum hexamolybdenum henicosaoxide","","- La5 Mo6 O21 -","- La5 Mo6 O21 -","- La20 Mo24 O84 -","4","1","IZ1055","Gall, P.; Gougeon, P.","La~5~Mo~6~O~21~: a novel ternary reduced molybdenum oxide containing {Mo^IV^}~3~ clusters and isolated Mo^V^ centres","Acta Crystallographica Section C","2005","61","7","i69","i70","10.1107/S0108270105015386","","","0.71069","MoKα","","0.0418","0.036","","","0.0841","0.0875","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015063","7.668","0.002","13.691","0.003","14.698","0.003","90","","90","","90","","1543","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II)","","- C11 H15 Cl2 N3 O3 Zn -","- C11 H15 Cl2 N3 O3 Zn -","- C44 H60 Cl8 N12 O12 Zn4 -","4","1","SK1856","You, Zhong-Lu","Dichloro{2-[2-(dimethylammonio)ethyliminomethyl]-4-nitrophenolato}zinc(II) in unsolvated and hemihydrate forms","Acta Crystallographica Section C","2005","61","8","m383","m385","10.1107/S0108270105020767","","","0.71073","MoKα","","0.0509","0.0429","","","0.0799","0.0838","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015074","9.4395","0.0002","13.1565","0.0003","10.9581","0.0002","90","","90","","90","","1360.9","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)leucine","","- C11 H17 N5 O4 -","- C11 H17 N5 O4 -","- C44 H68 N20 O16 -","4","1","SK1862","Arranz Mascarós, Paloma; Godino Salido, M. Luz; Gutiérrez Valero, M. Dolores; Low, John N.; Glidewell, Christopher","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)leucine: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2005","61","9","o548","o550","10.1107/S0108270105024406","","","0.71073","MoKα","","0.0453","0.0398","","","0.1026","0.1063","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015090","8.5841","0.0012","9.0352","0.0012","18.738","0.002","90","","90","","90","","1453.3","0.3","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Chlorophenyl)-2-methyl-4-nitro-5-(1-piperidyl)-1H-imidazole","","- C15 H17 Cl N4 O2 -","- C15 H17 Cl N4 O2 -","- C60 H68 Cl4 N16 O8 -","4","1","TA1498","Kubicki, Maciej; Wagner, Paweł","1-(4-Chlorophenyl)-2-methyl-4-nitro-5-(1-piperidyl)-1<i>H</i>-imidazole","Acta Crystallographica Section C","2005","61","8","o509","o511","10.1107/S0108270105021608","","","0.71073","MoKα","","0.042","0.0308","","","0.0518","0.0541","","","","","","0.933","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015096","8.01","0.002","10.526","0.002","28.685","0.006","90","","90","","90","","2418.5","0.9","173.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Phenyl-1,3,4-thiadiazol-2-yl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-Glucopyranoside","","- C22 H24 N2 O9 S2 -","- C22 H24 N2 O9 S2 -","- C88 H96 N8 O36 S8 -","4","1","TY1004","Zao-Zao Qiu; Xin-Ping Hui; Peng-Fei Xu","5-Phenyl-1,3,4-thiadiazol-2-yl 2,3,4,6-tetra-<i>O</i>-acetyl-1-thio-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2005","61","8","o475","o476","10.1107/S0108270105003951","","","0.7107","MoKα","","","0.0334","","","","0.0463","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015104","11.191","0.003","12.1156","0.0011","12.6742","0.001","90","","90","","90","","1718.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","mercury(II) (-)-sparteine dichloride","Dichloro[(6R,7S,8S,14S)-(-)-sparteine-κ^2^N,N']mercury(II)","","- C15 H26 Cl2 Hg N2 -","- C15 H26 Cl2 Hg N2 -","- C60 H104 Cl8 Hg4 N8 -","4","1","AV1265","Choi, Sung-Nak; Kim, Sang-Yub; Ryu, Hae-Wook; Lee, Yong-Min","Dichloro[(6<i>R</i>,7<i>S</i>,8<i>S</i>,14<i>S</i>)-(‒)-sparteine-κ^2^<i>N</i>,<i>N</i>']mercury(II)","Acta Crystallographica Section C","2005","61","12","m504","m506","10.1107/S0108270105033858","","","0.71073","MoKα","","0.0768","0.0454","","","0.0739","0.0821","","","","","","1.008","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015156","9.483","0.0008","12.6536","0.0012","15.1455","0.0014","90","","90","","90","","1817.4","0.3","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,2,3,4-Tetra-O-acetyl-beta-D-glucose","1,2,3,4-Tetra-O-acetyl-beta-D-glucopyranose","","- C14 H20 O10 -","- C14 H20 O10 -","- C56 H80 O40 -","4","1","GG1287","Baddeley, Thomas C.; Howie, R. Alan; Skakle, Janet M. S.; Wardell, James L.","1,2,3,4-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranuronic acid monohydrate at 120K and anhydrous 1,2,3,4-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranose at 292K","Acta Crystallographica Section C","2005","61","12","o711","o714","10.1107/S0108270105034979","","","0.71073","MoKα","","0.0956","0.0464","","","0.1229","0.1483","","","","","","0.995","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015162","3.984","0.002","20.93","0.006","12.122","0.002","90","","90","","90","","1010.8","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylisatin-3-semicarbazone","1-methylindole-2,3-dione 3-semicarbazone","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C40 H40 N16 O8 -","4","1","HJ1061","Pelosi, G.; Pelizzi, C.; Belicchi Ferrari, M.; Rodríguez Argüelles, M.C.; Vieito, C.; Sanmartín, J.","Isatin 3-semicarbazone and 1-methylisatin 3-semicarbazone","Acta Crystallographica Section C","2005","61","10","o589","o592","10.1107/S0108270105024959","","","0.71073","MoKα","","0.0343","0.0278","","","0.0742","0.0768","","","","","","1.019","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015178","8.6379","0.0002","13.3638","0.0003","16.3161","0.0003","90","","90","","90","","1883.45","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,3R,8R)-2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1.3^]dodecan- 11-one thiosemicarbazone","","- C17 H25 Cl2 N3 S -","- C17 H25 Cl2 N3 S -","- C68 H100 Cl8 N12 S4 -","4","1","LN1186","Ourhriss, N; Giorgi, M.; Mazoir, N.; Benharref, A.","Absolute configuration and conformational disorder of a tricyclic thiosemicarbazone derivative","Acta Crystallographica Section C","2005","61","12","o699","o701","10.1107/S0108270105033470","","","0.71073","MoKα","","0.032","0.0294","","","0.0704","0.0724","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015199","8.8908","0.0002","9.7468","0.0002","15.0112","0.0002","90","","90","","90","","1300.82","0.04","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2-iodophenyl)-2-nitrobenzamide","","- C13 H9 I N2 O3 -","- C13 H9 I N2 O3 -","- C52 H36 I4 N8 O12 -","4","1","SK1872","Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher","Contrasting three-dimensional framework structures in the isomeric pair 2-iodo-<i>N</i>-(2-nitrophenyl)benzamide and <i>N</i>-(2-iodophenyl)-2-nitrobenzamide","Acta Crystallographica Section C","2005","61","11","o634","o638","10.1107/S0108270105030180","","","0.71073","MoKα","","0.0173","0.0165","","","0.0357","0.0361","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015217","5.423","0.0002","16.2077","0.0009","24.0104","0.0013","90","","90","","90","","2110.38","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2',3'-Didehydro-2',3'-deoxythymidine","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C80 H96 N16 O32 -","8","2","SQ1230","Mirmehrabi, Mahmoud; Rohani, Sohrab; Jennings, Michael C.","Stavudine","Acta Crystallographica Section C","2005","61","12","o695","o698","10.1107/S0108270105034591","","","0.71073","MoKα","","0.0921","0.0586","","","0.146","0.1677","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015227","7.898","0.005","8.4607","0.0019","13.587","0.002","90","","90","","90","","907.9","0.6","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclopentanespiro-4'-imidazolidine-2',5'-dithione","1,3-diazaspiro[4.4]nonane-2,4-dithione","","- C7 H10 N2 S2 -","- C7 H10 N2 S2 -","- C28 H40 N8 S8 -","4","1","BM1624","Boris Shivachev; Rosica Petrova; Marin Marinov; Neyko Stoyanov; Anife Ahmedova; Mariana Mitewa","Four cycloalkanespiro-4'-imidazolidine-2',5'-dithiones","Acta Crystallographica Section C","2006","62","4","o211","o215","10.1107/S0108270106003489","","","0.71073","MoKα","","0.0849","0.0509","","","0.1118","0.1257","","","","","","1.054","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015231","6.202","0.001","9.192","0.002","19.294","0.004","90","","90","","90","","1099.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Bis(glycine) lithium chromate monohydrate","poly[aquadi-μ-glycinato-μ-tetraoxo-chromato(VI)lithium(I)]}","","- C4 H12 Cr Li2 N2 O9 -","- C4 H12 Cr Li2 N2 O9 -","- C16 H48 Cr4 Li8 N8 O36 -","4","1","EM1005","Michel Fleck; Karolina Schwendtner; Ana Hensler","Two new non-centrosymmetric lithium salts of glycine: bis(glycine) lithium chromate monohydrate and bis(glycine) lithium molybdate","Acta Crystallographica Section C","2006","62","4","m122","m125","10.1107/S0108270106003477","","","0.71073","MoKα","","0.0232","0.022","","","0.0602","0.061","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015240","7.032","0.001","10.419","0.002","17.017","0.003","90","","90","","90","","1246.8","0.4","288","1","288","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,2'-isopropylidenediphenol","2,2'-Isopropylidenediphenol","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","GA1119","Rozycka-Sokolowska, Ewa; Marciniak, Bernard; Pavlyuk, Volodymyr","2,2'-Isopropylidenediphenol","Acta Crystallographica Section C","2006","62","4","o162","o164","10.1107/S0108270106004070","","","1.5418","CuKα","","0.0342","0.0252","","","0.067","0.0714","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015242","7.788","0.002","16.596","0.003","27.986","0.003","90","","90","","90","","3617.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-phthaloyl-β-alaninate N-phthaloyl-β-alanine","","- C43 H40 N4 O10 -","- C43 H40 N4 O10 -","- C172 H160 N16 O40 -","4","1","GD1431","Agata Białońska; Zbigniew Ciunik","Strychninium <i>N</i>-phthaloyl-β-alaninate <i>N</i>-phthaloyl-β-alanine and brucinium <i>N</i>-phthaloyl-β-alaninate 5.67-hydrate","Acta Crystallographica Section C","2006","62","4","o182","o185","10.1107/S0108270106005555","","","0.71073","MoKα","","0.0715","0.0514","","","0.0927","0.1001","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015245","17.4965","0.0004","18.2617","0.0002","19.0558","0.0004","90","","90","","90","","6088.6","0.2","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","pyridine(tetramethyl 4,4',4'',4'''-porphyrin-5,10,15,20- tetrabenzoato)zinc(II)","","- C57 H41 N5 O8 Zn -","- C57 H41 N5 O8 Zn -","- C228 H164 N20 O32 Zn4 -","4","1","GD3004","Sankar Muniappan; Sophia Liptsman; Israel Goldberg","Clathrate solvates of tetrakis(4-methoxycarbonylphenyl)porphyrin and its zinc(II)‒pyridine complex, in which the porphyrin host structures are stabilized by porphyrin‒porphyrin stacking and C—H···O attractions","Acta Crystallographica Section C","2006","62","4","m140","m143","10.1107/S010827010600641X","","","0.71073","MoKα","","0.0946","0.0525","","","0.1185","0.1307","","","","","","0.902","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015249","7.555","0.002","11.531","0.003","26.492","0.008","90","","90","","90","","2307.9","1.1","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucine tetrahydrate","2,3-dimethoxystrychnidin-10-one‒water (1/4)","","- C23 H34 N2 O8 -","- C23 H34 N2 O8 -","- C92 H136 N8 O32 -","4","1","GZ1028","Graham Smith; Urs D. Wermuth; Peter C. Healy; Jonathan M. White","Two pseudopolymorphic hydrates of brucine: brucine‒water (1/4) and brucine‒water (1/5.25) at 130 K","Acta Crystallographica Section C","2006","62","4","o203","o207","10.1107/S0108270106005944","","","0.71073","MoKα","","0.0592","0.0429","","","0.0792","0.0838","","","","","","0.892","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015293","6.5812","0.0011","10.5084","0.0013","19.216","0.002","90","","90","","90","","1328.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-Deoxy-7-propynyl-7-deazaadenosine","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C56 H64 N16 O12 -","4","1","FA1183","Seela, Frank; Shaikh, Khalil I.; Budow, Simone; Eickmeier, Henning","2'-Deoxy-7-propynyl-7-deazaadenosine: a DNA duplex-stabilizing nucleoside","Acta Crystallographica Section C","2006","62","5","o246","o248","10.1107/S0108270106008870","","","0.71073","MoKα","","0.0646","0.0522","","","0.1348","0.1457","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015297","12.3391","0.0002","7.178","0.0001","22.8065","0.0004","90","","90","","90","","2019.97","0.06","160","1","160","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-epicandicandiol ethanol solvate","ent-7α,18-hydroxykaur-16-ene ethanol solvate","","- C22 H38 O3 -","- C22 H38 O3 -","- C88 H152 O12 -","4","1","FG3006","Linden, Anthony; Şahın, F. Pınar; Ezer, Nurten; Çalış, İhsan","<i>ent</i>-7α,18-Hydroxykaur-16-ene ethanol solvate","Acta Crystallographica Section C","2006","62","5","o253","o255","10.1107/S0108270106008638","","","0.71073","MoKα","","0.0577","0.0418","","","0.103","0.1117","","","","","","1.032","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015325","9.6108","0.0001","9.6349","0.0001","30.6453","0.0003","90","","90","","90","","2837.73","0.05","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1,3-diisopropyl-4,5-dimethylimidazolin-2-ylidene)ammonium trichloro(1,3-diisopropyl-4,5-dimethylimidazolin-2-ylideneamine)iron(II)","","- C22 H43 Cl3 Fe N6 -","- C22 H43 Cl3 Fe N6 -","- C88 H172 Cl12 Fe4 N24 -","4","1","SK3010","Petrovic, Dejan; Tamm, Matthias; Herdtweck, Eberhardt","Strong hydrogen bonds in the ionic pair (1,3-diisopropyl-4,5-dimethyl-4-imidazolin-2-ylidene)ammonium trichloro(1,3-diisopropyl-4,5-dimethyl-4-imidazolin-2-ylideneamine)iron(II)","Acta Crystallographica Section C","2006","62","5","m217","m219","10.1107/S0108270106008778","","","0.71073","MoKα","","0.0285","0.0247","","","0.0534","0.0547","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015330","10.9693","0.001","11.0436","0.001","22.678","0.002","90","","90","","90","","2747.2","0.4","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(SFc)-diphenylphosphino-[2-(2-dibenzo-1H-1λ^5^-phospholyl)ferrocen-1- yl]methane","","- C35 H28 Fe P2 -","- C35 H28 Fe P2 -","- C140 H112 Fe4 P8 -","4","1","SK3012","José Guadalupe Lopez Cortes; Sandrine Vincendeau; Jean-Claude Daran; Eric Manoury; Maryse Gouygou","Three new enantiomerically pure ferrocenylphosphole compounds","Acta Crystallographica Section C","2006","62","5","m188","m191","10.1107/S0108270106010833","","","0.71073","MoKα","","0.1212","0.0573","","","0.1034","0.1255","","","","","","0.93","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2015335","10.4178","0.0002","10.6996","0.0002","24.6636","0.0005","90","","90","","90","","2749.16","0.09","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Z-Thr(OBn)-Aib-N(Me)Ph","O-benzyl-N-(benzyloxycarbonyl)threonyl-2,N-dimethylalaninanilide","","- C30 H35 N3 O5 -","- C30 H35 N3 O5 -","- C120 H140 N12 O20 -","4","1","TR3003","Linden, Anthony; Pradeille, Nicolas; Heimgartner, Heinz","Di- and tripeptide segments of zervamicin II-2: Z-Thr(OBn)-Aib-N(Me)Ph and Z-Val-Aib-Hyp(OBn)-OMe","Acta Crystallographica Section C","2006","62","5","o249","o252","10.1107/S0108270106007992","","","0.71073","MoKα","","0.0497","0.0374","","","0.0831","0.0897","","","","","","1.072","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2015356","5.6207","0.0006","35.556","0.004","35.835","0.004","90","","90","","90","","7161.6","1.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-phenylalanyl-L-tryptophan 0.75-hydrate","","- C20 H22.5 N3 O3.75 -","- C20 H22.5 N3 O3.75 -","- C320 H360 N48 O60 -","16","4","FG3015","Görbitz, Carl Henrik","<small>L</small>-Phenylalanyl-<small>L</small>-tryptophan 0.75-hydrate","Acta Crystallographica Section C","2006","62","6","o328","o330","10.1107/S0108270106014491","","","0.71073","MoKα","","0.2144","0.079","","","0.1387","0.1822","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015359","6.889","0.002","9.684","0.003","12.719","0.004","90","","90","","90","","848.5","0.4","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Bis(1-methyl-1H-tetrazol-5-yl)diazene","","- C4 H6 N10 -","- C4 H6 N10 -","- C16 H24 N40 -","4","1","GD3013","Lyakhov, Alexander S.; Serebryanskaya, Tatiyana V.; Gaponik, Pavel N.; Voitekhovich, Sergei V.; Ivashkevich, Ludmila S.","Bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene and two its copper(I) chloride complexes poly[[[μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]dicopper(I)]-di-μ-chloro] and <i>catena</i>-poly[[chlorocopper(I)]-μ-1,2-bis(1-methyl-1<i>H</i>-tetrazol-5-yl)diazene-κ^4^<i>N</i>',<i>N</i>^4^:<i>N</i>,<i>N</i>^4'^]","Acta Crystallographica Section C","2006","62","6","m223","m226","10.1107/S0108270106013199","","","0.71073","MoKα","","0.0349","0.0308","","","0.087","0.0919","","","","","","1.044","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015367","6.8805","0.0001","19.2606","0.0001","25.5545","0.0002","90","","90","","90","","3386.55","0.06","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(benylammonium) (2R,3R)-(-)-2,3-di-p-toluoyloxybutanedioate dihydrate","","- C34 H40 N2 O10 -","- C34 H40 N2 O10 -","- C136 H160 N8 O40 -","4","1","GG1300","Luigi R Nassimbeni; Hong Su","Two salts of di-<i>p</i>-toluoyltartaric acid with aromatic amines","Acta Crystallographica Section C","2006","62","6","o358","o361","10.1107/S0108270106015149","","","0.71073","MoKα","","0.0375","0.034","","","0.0817","0.0836","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015373","12.2719","0.0007","13.5151","0.0008","14.3814","0.0009","90","","90","","90","","2385.2","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium hydrogen L-tartrate","2,3-dimethoxy-10-oxostrychnidinium hydrogen 2(R),3(R)-tartrate","","- C27 H32 N2 O10 -","- C27 H32 N2 O10 -","- C108 H128 N8 O40 -","4","1","GZ3010","Graham Smith; Urs D. Wermuth; Jonathan M. White","Brucine salts of <small>L</small>-α-hydroxy acids: brucinium hydrogen (<i>S</i>)-malate pentahydrate and anhydrous brucinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate at 130K","Acta Crystallographica Section C","2006","62","6","o353","o357","10.1107/S0108270106017288","","","0.71073","MoKα","","0.0499","0.0395","","","0.0686","0.0709","","","","","","0.911","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015378","12.0141","0.0004","12.3388","0.0005","15.6913","0.0006","90","","90","","90","","2326.07","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound II","(2Z)-6-benzyl-2-buten-2-yl-1,3,6,2-dioxazaborocane","","- C27 H30 B N O2 -","- C27 H30 B N O2 -","- C108 H120 B4 N4 O8 -","4","1","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0436","0.0374","","","0.0953","0.0992","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015379","10.5916","0.0014","11.3683","0.0015","17.747","0.002","90","","90","","90","","2136.9","0.5","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound III","(2Z)-6-benzyl-2-buten-2-yl-1,3,6,2-dioxazaborocane","","- C24 H32 B N O2 -","- C24 H32 B N O2 -","- C96 H128 B4 N4 O8 -","4","1","RB3006","Olmstead, Marilyn M.; Fettinger, James C.; Gamsey, Soya; Clary, Jacob W.; Singaram, Bakthan","Three chiral vinyldioxazaborocanes","Acta Crystallographica Section C","2006","62","6","o333","o335","10.1107/S0108270106013527","","","0.71073","MoKα","","0.0351","0.0304","","","0.0772","0.0812","","","","","","1.128","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2015424","6.704","0.002","10.493","0.003","28.536","0.007","90","","90","","90","","2007.4","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","triethylammonium adenosine cyclic 2',3'-phosphate","Triethylammonium 4-(6-aminopurin-7-yl)-6-hydroxymethyl-2-oxido-2- oxoperhydrofurano[3,4-c][1,3,2]dioxaphosphole","","- C16 H27 N6 O6 P -","- C16 H27 N6 O6 P -","- C64 H108 N24 O24 P4 -","4","1","FG3019","Krzysztof Sierosławski; Katarzyna Ślepokura; Tadeusz Lis; Małgorzata Bogucka; Joanna Lutomska; Adam Kraszewski","Different nucleobase orientations in two cyclic 2',3'-phosphates of purine ribonucleosides: Et~3~NH(2',3'-cAMP) and Et~3~NH(2',3'-cGMP)·H~2~O","Acta Crystallographica Section C","2006","62","7","o405","o409","10.1107/S0108270106017811","","","1.5418","CuKα","","0.0516","0.0466","","","0.1211","0.126","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015437","8.2049","0.0005","11.9741","0.0008","17.9611","0.0012","90","","90","","90","","1764.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(borohydrido)(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium","","- C12 H28 B K O6 -","- C12 H28 B K O6 -","- C48 H112 B4 K4 O24 -","4","1","GZ3011","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium","Acta Crystallographica Section C","2006","62","7","m275","m277","10.1107/S0108270106016507","","","0.71073","MoKα","","0.0447","0.0346","","","0.0794","0.0832","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015438","9.5611","0.0004","9.9657","0.0005","26.2779","0.0015","90","","90","","90","","2503.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(borohydrido)(1,4,7,10,13,16-hexaoxa-2,3:11,12-dibenzocyclooctadeca- 2,11-diene-κ^6^<i>O</i>)(tetrahydrofuran)potassium","","- C24 H36 B K O7 -","- C24 H36 B K O7 -","- C96 H144 B4 K4 O28 -","4","1","GZ3011","Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel","(Borohydrido)(18-crown-6)potassium and (borohydrido)(dibenzo-18-crown-6)(tetrahydrofuran)potassium","Acta Crystallographica Section C","2006","62","7","m275","m277","10.1107/S0108270106016507","","","0.71073","MoKα","","0.0652","0.0475","","","0.1209","0.1289","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015452","7.6177","0.0001","27.6911","0.0004","29.9256","0.0004","90","","90","","90","","6312.58","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-ketolithocholic acid","(-)-3,7-Dioxo-5β-cholanic acid","","- C24 H36 O4 -","- C24 H36 O4 -","- C288 H432 O48 -","12","3","SK3014","Kikolski, Elizabeth M.; Lalancette, Roger A.; Thompson, Hugh W.","({-})-3,7-Dioxo-5β-cholanic acid: dual hydrogen-bonding modes in a diketonic bile-acid derivative","Acta Crystallographica, Section C: Crystal Structure Communications","2006","62","7","o394","o396","10.1107/S010827010601136X","","","1.54178","CuKα","","0.04","0.036","","","0.089","0.091","","","","","","1.07","","","","has coordinates","270623","2021-11-12","13:40:30",""
"2015453","8.1697","0.0002","13.2052","0.0003","14.9286","0.0004","90","","90","","90","","1610.54","0.07","295","2","295","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κS]platinum(II)","","- C6 H15 Cl3 K O4 P Pt S -","- C6 H15 Cl3 K O4 P Pt S -","- C24 H60 Cl12 K4 O16 P4 Pt4 S4 -","4","1","SK3018","Pacifico, Concetta; Laforgia, Mariarita; Intini, Francesco P.; Padovano, Giacomo; Natile, Giovanni","Two polymorphs of potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κ<i>S</i>]platinum(II) with <i>Z</i>' = 1 and 3 in the space group <i>P</i>2~1~2~1~2~1~","Acta Crystallographica Section C","2006","62","7","m306","m310","10.1107/S0108270106021470","","","0.71073","MoKα","","0.111","0.0372","","","0.0553","0.0654","","","","","","0.868","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2015454","14.2518","0.0003","16.6754","0.0003","20.8743","0.0003","90","","90","","90","","4960.87","0.15","295","2","295","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κS]platinum(II)","","- C6 H15 Cl3 K O4 P Pt S -","- C6 H15 Cl3 K O4 P Pt S -","- C72 H180 Cl36 K12 O48 P12 Pt12 S12 -","12","3","SK3018","Pacifico, Concetta; Laforgia, Mariarita; Intini, Francesco P.; Padovano, Giacomo; Natile, Giovanni","Two polymorphs of potassium trichloro[diethyl (methylsulfinylmethyl)phosphonate-κ<i>S</i>]platinum(II) with <i>Z</i>' = 1 and 3 in the space group <i>P</i>2~1~2~1~2~1~","Acta Crystallographica Section C","2006","62","7","m306","m310","10.1107/S0108270106021470","","","0.71073","MoKα","","0.1899","0.0496","","","0.0547","0.0674","","","","","","0.853","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2015455","6.3684","0.0001","11.6102","0.0001","22.743","0.0002","90","","90","","90","","1681.58","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-3,11-Dioxo-5α-androstanecarboxylic acid","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","SK3023","Kikolski, Elizabeth M.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-3,11-Dioxo-5α-androstanecarboxylic acid: catemeric hydrogen bonding in a steroidal diketo acid","Acta Crystallographica Section C","2006","62","7","o397","o398","10.1107/S0108270106017677","","","1.54178","CuKα","","0.04","0.035","","","0.082","0.085","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015467","9.72","0.008","10.654","0.011","16.127","0.014","90","","90","","90","","1670","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 4-O-benzoyl-2,3-O-isopropylidene-α-L-rhamnopyranoside","","- C17 H22 O6 -","- C17 H22 O6 -","- C68 H88 O24 -","4","1","AV3012","Jonsson, K. Hanna M.; Eriksson, Lars; Widmalm, Göran","Methyl 4-<i>O</i>-benzoyl-2,3-<i>O</i>-isopropylidene-α-<small>L</small>-rhamnopyranoside","Acta Crystallographica Section C","2006","62","8","o447","o449","10.1107/S0108270106021603","","","1.35","synchrotron","","0.0354","0.0329","","","0.0837","0.0875","","","","","","1.082","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015489","11.8539","0.0018","12.2726","0.0018","19.498","0.003","90","","90","","90","","2836.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium 3,5-dinitrobenzoate methanol solvate","","- C31 H34 N4 O11 -","- C31 H34 N4 O11 -","- C124 H136 N16 O44 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0704","0.0528","","","0.0884","0.0941","","","","","","1.078","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015490","7.1733","0.0018","19.1","0.002","21.955","0.002","90","","90","","90","","3008.1","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinim 3,5-dintrobenzoate dimethanol solvate","","- C32 H38 N4 O12 -","- C32 H38 N4 O12 -","- C128 H152 N16 O48 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0547","0.0474","","","0.1193","0.1235","","","","","","1.095","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015491","8.2499","0.0008","12.5379","0.0012","29.109","0.003","90","","90","","90","","3010.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium 3,5-dinitrobenzoate trihydrate","","- C30 H36 N4 O13 -","- C30 H36 N4 O13 -","- C120 H144 N16 O52 -","4","1","GG3018","Agata Białońska; Zbigniew Ciunik","Brucinium 3,5-dinitrobenzoate methanol solvate, methanol disolvate and trihydrate","Acta Crystallographica Section C","2006","62","8","o450","o453","10.1107/S0108270106021068","","","0.71073","MoKα","","0.0747","0.0566","","","0.1166","0.1266","","","","","","1.119","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015501","9.964","0.002","11.565","0.002","19.882","0.004","90","","90","","90","","2291.1","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-[(R)-1-(2-Hydroxy-5-methylphenyl)-2-phenylethyl]-2-methyl-1- phenylpropylammonium chloride","","- C25 H30 Cl N O -","- C25 H30 Cl N O -","- C100 H120 Cl4 N4 O4 -","4","1","HJ3012","Guang-You Zhang; Wan-Hui Wang; Jin-Yan Zhao; Xiang-Bo Wang","(<i>R</i>)-<i>N</i>-[(<i>R</i>)-1-(2-Hydroxy-5-methylphenyl)-2-phenylethyl]-2-methyl-1-phenylpropylammonium chloride","Acta Crystallographica Section C","2006","62","8","o534","o536","10.1107/S0108270106024802","","","0.71073","MoKα","","0.09","0.0545","","","0.0913","0.1014","","","","","","0.977","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015519","6.848","0.001","13.654","0.002","17.567","0.002","90","","90","","90","","1642.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Cl N3 O -","- C18 H16 Cl N3 O -","- C72 H64 Cl4 N12 O4 -","4","1","SK3029","Sun, Yu-Xi; Zhang, Ran; Jin, Qing-Mai; Zhi, Xi-Jing; Lü, Xiao-Ming","4-(4-Chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one and 4-(2-chlorobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section C","2006","62","8","o467","o469","10.1107/S0108270106021512","","","0.71073","MoKα","","0.0481","0.0418","","","0.1029","0.1072","","","","","","1.042","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015524","9.4886","0.0012","15.2217","0.0017","17.071","0.002","90","","90","","90","","2465.6","0.5","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S,4S,S~Fc~)-2-[(Diphenylthiophosphino)ferrocenyl]-4-methoxymethyl-1,3-dioxane","","- C28 H29 Fe O3 P S -","- C28 H29 Fe O3 P S -","- C112 H116 Fe4 O12 P4 S4 -","4","1","SQ3026","Jean-Claude Daran; Eric Manoury; Lucie Routaboul; Frédéric Rivals","(2<i>S</i>,4<i>S</i>,<i>S</i>~Fc~)-2-[2-(Diphenylthiophosphinoyl)ferrocenyl]-4-methoxymethyl-1,3-dioxane","Acta Crystallographica Section C","2006","62","8","m378","m380","10.1107/S0108270106025662","","","0.71073","MoKα","","0.0379","0.0278","","","0.0532","0.0562","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015533","9.7577","0.001","5.6319","0.0006","9.5579","0.001","90","","90","","90","","525.25","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triaquamanganese sulfite","","- H6 Mn O6 S -","- H6 Mn O6 S -","- H24 Mn4 O24 S4 -","4","1","BC3010","M. Enriqueta Díaz de Vivar; Sergio Baggio; María Teresa Garland; Ricardo Baggio","Triaquamanganese sulfite revisited","Acta Crystallographica, Section C","2006","62","9","i79","i82","10.1107/S0108270106028253","","","0.71073","MoKα","","0.0207","0.0199","","","0.0516","0.052","","","","","","0.967","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2015562","9.2","0.0003","9.328","0.0002","18.3031","0.0005","90","","90","","90","","1570.73","0.07","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-benzyl-2-cyano-3-phenylpropionate","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","GG3038","Calderón, Guillermo; Jaramillo-Gómez, Luz Marina; Torre, José M. de la; Cobo, Justo; Low, John N.; Glidewell, Christopher","Hydrogen-bonded chains in racemic 2-benzyl-3-(2-bromophenyl)propiononitrile and hydrogen-bonded sheets in methyl 2-benzyl-2-cyano-3-phenylpropionate","Acta Crystallographica Section C","2006","62","9","o583","o586","10.1107/S0108270106032689","","","0.71073","MoKα","","0.0368","0.0307","","","0.0729","0.0759","","","","","","1.14","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015563","7.166","0.003","15.365","0.005","15.818","0.005","90","","90","","90","","1741.7","1.1","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","strontium hydrogen l-malate hexahydrate","Strontium bis(hydrogen L-malate) hexahydrate","","- C8 H22 O16 Sr -","- C8 H22 O16 Sr -","- C32 H88 O64 Sr4 -","4","1","GZ3024","Matos Gomes, E.; Rodrigues, V. H.; Costa, M.M.R.R.; Nogueira, E.; Belsley, M. S.","Supramolecular structure and second harmonic generation in strontium bis(hydrogen <small>L</small>-malate) hexahydrate","Acta Crystallographica Section C","2006","62","9","m416","m418","10.1107/S0108270106028046","","","0.71073","MoKα","","0.0435","0.0212","","","0.0505","0.0546","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015568","5.9641","0.0001","8.4492","0.0001","23.14","0.0004","90","","90","","90","","1166.07","0.03","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-dimethyamino-β-ethyl-β-nitrostyrene","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","HJ3016","Hamdellou, Lamine; Hernandez, Olivier; Meinnel, Jean","4-Dimethylamino-β-nitrostyrene and 4-dimethylamino-β-ethyl-β-nitrostyrene at 100 K","Acta Crystallographica Section C","2006","62","9","o557","o560","10.1107/S0108270106025819","","","0.71073","MoKα","","0.1289","0.0377","","0.0768","","0.039","","","","","","1.1373","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015575","6.799","0.002","15.834","0.005","16.441","0.005","90","","90","","90","","1770","0.9","293","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(2,2'-bipyridine-κ^2^N,N')cadmium(II)]-μ-4- carboxylatophenoxyacetato-κ^3^O,O':O'']","","- C19 H16 Cd N2 O6 -","- C19 H16 Cd N2 O6 -","- C76 H64 Cd4 N8 O24 -","4","1","OB3012","Yang, Yan; Zeng, Ming-Hua; Meng, Fa-Yan; Liang, Hong","<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-4-carboxylatophenoxyacetato-κ^3^<i>O</i>:<i>O</i>^4^,<i>O</i>^4'^]","Acta Crystallographica Section C","2006","62","9","m392","m394","10.1107/S0108270106026783","","","0.71073","MoKα","","0.0343","0.0261","","","0.0477","0.0502","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015595","7.637","0.002","9.4576","0.0017","17.632","0.004","90","","90","","90","","1273.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-chloro-7-(2-deoxy-β-D-erythro-pentofuranosyl)- 7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine","","- C11 H14 Cl N5 O3 -","- C11 H14 Cl N5 O3 -","- C44 H56 Cl4 N20 O12 -","4","1","FA3032","Seela, Frank; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","2-Amino-7-chloro-2'-deoxytubercidin","Acta Crystallographica Section C","2006","62","10","o593","o595","10.1107/S0108270106032227","","","0.71073","MoKα","","0.1333","0.0604","","","0.1151","0.1446","","","","","","0.996","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015606","10.5429","0.0003","12.4821","0.0004","12.6458","0.0003","90","","90","","90","","1664.16","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound I","2,6-dibromo-3,5-dimethylpyridine","","- C7 H7 Br2 N -","- C7 H7 Br2 N -","- C56 H56 Br16 N8 -","8","2","GG3034","Pugh, David","2,6-Dibromo-3,5-dimethylpyridine and 2,6-diiodo-3,5-dimethylpyridine","Acta Crystallographica Section C","2006","62","10","o590","o592","10.1107/S0108270106032732","","","0.71073","MoKα","","0.0307","0.0255","","","0.0469","0.0486","","","","","","1.076","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015612","12.5382","0.001","4.9867","0.0002","12.8637","0.0008","90","","90","","90","","804.29","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Nitrobenzohydrazide","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C28 H28 N12 O12 -","4","1","GG3041","Wardell, Solange M. S. V.; Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Four substituted benzohydrazides: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2006","62","10","o618","o624","10.1107/S0108270106034974","","","0.71073","MoKα","","0.1378","0.0875","","","0.0863","0.0972","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015645","4.8154","0.0009","8.518","0.005","15.624","0.005","90","","90","","90","","640.9","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Valinol","(S)-(+)-2-Amino-3-methylbutan-1-ol","","- C5 H13 N O -","- C5 H13 N O -","- C20 H52 N4 O4 -","4","1","GZ3028","Dittrich, Birger; Munshi, Parthapratim; Spackman, Mark A.","Invariom-model refinement of <small>L</small>-valinol","Acta Crystallographica Section C","2006","62","11","o633","o635","10.1107/S0108270106037358","","","0.7107","MoKα","","0.0394","0.0282","","","","0.0176","","","","","","1.7095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015651","6.1062","0.0008","7.3981","0.0011","19.653","0.004","90","","90","","90","","887.8","0.3","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-amino-3-methyl-5-phenyl-4H-1,2,4-triazole","","- C9 H10 N4 -","- C9 H10 N4 -","- C36 H40 N16 -","4","1","MY3010","Şahin, Onur; Büyükgüngör, Orhan; Şaşmaz, Selami; Gümrükçüoǧlu, Nurhan; Kantar, Cihan","N—H···N and C—H···π interactions in 4-amino-3-methyl-5-(<i>p</i>-tolyl)-4<i>H</i>-1,2,4-triazole and 4-amino-3-methyl-5-phenyl-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section C","2006","62","11","o643","o646","10.1107/S0108270106037668","","","0.71073","MoKα","","0.0438","0.0397","","","0.1042","0.1066","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015655","5.7381","0.0005","19.5148","0.0016","21.9735","0.0018","90","","90","","90","","2460.5","0.4","166","2","166","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1D-3-(Diphenylphosphino)-1,2:5,6-di-O-isopropylidene-4-O-methyl-chiro-inositol","","- C25 H31 O6 P -","- C25 H31 O6 P -","- C100 H124 O24 P4 -","4","1","RB3020","Gainsford, Graeme J.; Lensink Cornelis; Falshaw, Andrew","3-Diphenylphosphino-1,2:5,6-di-<i>O</i>-isopropylidene-4-<i>O</i>-methyl-1<small>D</small>-<i>chiro</i>-inositol","Acta Crystallographica Section C","2006","62","11","o650","o652","10.1107/S0108270106038522","","","0.71073","MoKα","","0.057","0.0319","","","0.0553","0.0585","","","","","","0.869","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015693","8.371","0.001","9.351","0.001","29.554","0.003","90","","90","","90","","2313.4","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","{4(S)-(Piperidin-1-ylcarbonyl)-4-[3- (trifluoromethyl)benzenesulfonamido]butyl}guanidinium chloride","","- C18 H27 Cl F3 N5 O3 S -","- C18 H27 Cl F3 N5 O3 S -","- C72 H108 Cl4 F12 N20 O12 S4 -","4","1","GG3050","Michaux, Catherine; Salvagnini, Claudio; Norberg, Bernadette; Marchand-Brynaert, Jacqueline; Wouters, Johan","{4(<i>S</i>)-(Piperidin-1-ylcarbonyl)-4-[3-(trifluoromethyl)phenylsulfonamido]butyl}guanidinium chloride: a model of a graftable thrombin inhibitor","Acta Crystallographica Section C","2006","62","12","o691","o693","10.1107/S0108270106047640","","","1.54178","CuKα","","0.0492","0.0459","","","0.1289","0.1324","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2015702","7.2546","0.0006","9.4922","0.0008","19.4571","0.0016","90","","90","","90","","1339.86","0.19","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quinolinium hydrogen L-(+)-tartrate monohydrate","quinolinium hydrogen (2R),3R)-tartrate monohydrate","","- C13 H15 N O7 -","- C13 H15 N O7 -","- C52 H60 N4 O28 -","4","1","SF3023","Graham Smith; Urs D. Wermuth; Jonathan M. White","Proton-transfer and non-transfer in compounds of quinoline and quinaldic acid with <small>L</small>-tartaric acid","Acta Crystallographica Section C","2006","62","12","o694","o698","10.1107/S0108270106045136","","","0.71073","MoKα","","0.0391","0.0354","","","0.0855","0.0879","","","","","","1.038","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015707","5.8107","0.0002","13.6635","0.0003","15.4507","0.0005","90","","90","","90","","1226.7","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-threo-3-hydroxy-1,2-diphenylpropionic acid","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","SK3072","Stomberg, Rolf; Langer, Vratislav; Lundquist, Knut","2,3-Diaryl-3-hydroxypropionic acid intermediates in the synthesis of <i>threo</i> forms of 1,2-diaryl-1,3-propanediols","Acta Crystallographica Section C","2006","62","12","o684","o686","10.1107/S0108270106046026","","","0.71073","MoKα","","0.0472","0.0354","","","0.0812","0.0891","","","","","","1.005","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015733","4.5515","0.0004","10.5973","0.0009","34.705","0.003","90","","90","","90","","1673.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(<i>E</i>)-phenyldiazenyl]anilinium dihydrogenphosphate‒phosphoric acid (1/1)","","- C12 H17 N3 O8 P2 -","- C12 H17 N3 O8 P2 -","- C48 H68 N12 O32 P8 -","4","1","FA3051","Halasz, Ivan; Kaja Lukić; Hrvoj Vančik","Hydrogen phosphate and dihydrogen phosphate salts of 4-aminoazobenzene","Acta Crystallographica Section C","2007","63","1","o61","o64","10.1107/S0108270106050979","","","0.71073","MoKα","","0.0503","0.0396","","","0.0963","0.1009","","","","","","1.073","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2015750","5.5238","0.0007","26.581","0.003","44.093","0.005","90","","90","","90","","6474.1","1.3","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","glycyl-L-valine","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C196 H392 N56 O84 -","28","7","JZ3047","Görbitz, Carl Henrik; Agustsdottir, Silja; Bleken, Francesca","Pearls on a string: a <i>Z</i>' = 7 structure for glycyl-<small>L</small>-valine","Acta Crystallographica Section C","2007","63","1","o58","o60","10.1107/S0108270106052474","","","0.71073","MoKα","","0.1245","0.0734","","","0.1575","0.1716","","","","","","1.284","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015757","6.0243","0.0002","7.5022","0.0003","15.9717","0.0008","90","","90","","90","","721.85","0.05","190","","190","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-deoxy-α-D-tagatopyranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","SK3070","Jones, Nigel A.; Jenkinson, Sarah F.; Soengas, Raquel; Izumori, Ken; Fleet, George W. J.; Watkin, David J.","The concomitant crystallization of two polymorphs of 1-deoxy-α-<small>D</small>-tagatose","Acta Crystallographica Section C","2007","63","1","o7","o10","10.1107/S0108270106048591","","","0.71073","MoKα","","0.0344","0.0287","","0.0688","0.0671","0.0688","","","","","","1.0049","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015758","6.0177","0.0002","6.4672","0.0002","18.0218","0.0007","90","","90","","90","","701.37","0.04","190","","190","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-deoxy-α-D-tagatopyranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","SK3070","Jones, Nigel A.; Jenkinson, Sarah F.; Soengas, Raquel; Izumori, Ken; Fleet, George W. J.; Watkin, David J.","The concomitant crystallization of two polymorphs of 1-deoxy-α-<small>D</small>-tagatose","Acta Crystallographica Section C","2007","63","1","o7","o10","10.1107/S0108270106048591","","","0.71073","MoKα","","0.0304","0.0272","","0.0661","0.0647","0.0661","","","","","","1.0288","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015772","6.1882","0.0006","15.935","0.0015","17.2295","0.0016","90","","90","","90","","1699","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(5-tert-Butyl-2-hydroxyphenyl)iminomethyl]-2-napthol","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","AV3047","Sun, Xu-Xia; Qi, Chuan-Min; Huang, Hai-Bo; Ma, Shu-Lan","1-[(5-<i>tert</i>-Butyl-2-hydroxyphenyl)iminomethyl]-2-napthol","Acta Crystallographica Section C","2007","63","2","o87","o88","10.1107/S0108270106051511","","","0.71073","MoKα","","0.039","0.032","","","0.0855","0.0891","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015780","7.3964","0.0004","10.8144","0.0007","14.08","0.0011","90","","90","","90","","1126.23","0.13","110","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-poly[[(4,4'-bipyridine-κN)dioxouranium(VI)]-di-μ-hydroxo]","","- C10 H10 N2 O4 U -","- C10 H10 N2 O4 U -","- C40 H40 N8 O16 U4 -","4","1","DN3033","Thuéry, Pierre","π-Stacking and hydrogen bonding in <i>catena</i>-poly[[(4,4'-bipyridine-κ<i>N</i>)dioxouranium(VI)]-di-μ-hydroxo]","Acta Crystallographica Section C","2007","63","2","m54","m56","10.1107/S0108270106054412","","","0.71073","MoKα","","0.0387","0.0331","","","0.0833","0.0857","","","","","","1.104","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015787","5.5515","0.0008","12.6547","0.0012","17.0171","0.0019","90","","90","","90","","1195.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2'-Deoxy-2-fluorotubercidin","7-(2-deoxy-β-D-erythro-pentofuranosyl)- 2-fluoro-7H-pyrrolo[2,3-d]pyrimidin-2-amine","","- C11 H13 F N4 O3 -","- C11 H13 F N4 O3 -","- C44 H52 F4 N16 O12 -","4","1","FA3053","Seela, Frank; Peng , Xiaohua; Eickmeier, Henning; Reuter, Hans","2'-Deoxy-2-fluorotubercidin","Acta Crystallographica Section C","2007","63","2","o96","o98","10.1107/S0108270106053704","","","0.71073","MoKα","","0.0506","0.0418","","","0.1088","0.1149","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015788","8.1272","0.0006","10.0646","0.0008","18.2504","0.0014","90","","90","","90","","1492.8","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(4S)-trans-4-ethylammonio-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran- 2-sulfonamide 7,7-dioxide chloride","","- C10 H17 Cl N2 O4 S3 -","- C10 H17 Cl N2 O4 S3 -","- C40 H68 Cl4 N8 O16 S12 -","4","1","GA3036","Krishnan Ravikumar; Balasubramanian Sridhar","Dorzolamide hydrochloride: an antiglaucoma agent","Acta Crystallographica Section C","2007","63","2","o108","o110","10.1107/S0108270106055338","","","0.71073","MoKα","","0.0247","0.0242","","","0.0641","0.0645","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015793","8.075","0.002","12.464","0.002","29.994","0.003","90","","90","","90","","3018.8","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium 4-nitrobenzoate 2.6 hydrate","","- C30 H36.2 N3 O10.6 -","- C30 H34.6 N3 O10.6 -","- C120 H138.4 N12 O42.4 -","4","1","GD3069","Agata Białońska; Zbigniew Ciunik","Isomorphous brucinium 4-nitrobenzoate methanol solvate and brucinium 4-nitrobenzoate dihydrate","Acta Crystallographica Section C","2007","63","2","o120","o122","10.1107/S010827010605517X","","","0.71073","MoKα","","0.1163","0.0882","","","0.2387","0.2613","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2015803","7.7358","0.0003","9.4543","0.0005","29.9093","0.0013","90","","90","","90","","2187.46","0.17","295","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","gold(III) tetrachloride salt of L-cocaine complex","(1R,2R,3S,5S,8S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate tetrachlorogold(III)","","- C17 H22 Au Cl4 N O4 -","- C17 H22 Au Cl4 N O4 -","- C68 H88 Au4 Cl16 N4 O16 -","4","1","GZ3036","Wood, Matthew R.; Brettell, Thomas A.; Lalancette, Roger A.","The gold(III) tetrachloride salt of <small>L</small>-cocaine","Acta Crystallographica Section C","2007","63","2","m33","m35","10.1107/S0108270106053108","","","1.54178","CuKα","","0.029","0.028","","","0.07","0.07","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015823","6.9692","0.0002","12.3802","0.0005","14.5513","0.0007","90","","90","","90","","1255.49","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Cyanobenzaldehyde isonicotinoylhydrazone monohydrate","","- C14 H12 N4 O2 -","- C14 H12 N4 O2 -","- C56 H48 N16 O8 -","4","1","AV3063","Souza, Marcus V. N. de; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher","4-Cyanobenzaldehyde isonicotinoylhydrazone monohydrate: a three-dimensional hydrogen-bonded framework structure","Acta Crystallographica Section C","2007","63","3","o166","o168","10.1107/S0108270107002788","","","0.71073","MoKα","","0.0579","0.0449","","","0.1009","0.1067","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015860","7.8817","0.0017","8.6832","0.0011","14.5715","0.0015","90","","90","","90","","997.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-aza-2'-deoxyuridine","2-(2-deoxy-β-D-erythro-pentofuranosyl)-1,2,4-triazin-3,5(2H,4H)-dione","","- C8 H11 N3 O5 -","- C8 H11 N3 O5 -","- C32 H44 N12 O20 -","4","1","GG3052","Seela, Frank; Chittepu, Padmaja; He, Yang; Eickmeier, Henning; Reuter, Hans","6-Aza-2'-deoxyuridine and <i>N</i>^3^-anisoyl-6-aza-2'-deoxyuridine","Acta Crystallographica Section C","2007","63","3","o173","o176","10.1107/S0108270107002016","","","0.71073","MoKα","","0.0554","0.0449","","","0.1153","0.1212","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015861","7.452","0.003","9.117","0.001","24.78","0.003","90","","90","","90","","1683.6","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N^3^-anisoyl-6-aza-2'-deoxyuridine","2-(2-deoxy-β-D-erythro-pentofuranosyl)-N^4^-(2-methoxybenzoyl)-1,2,4- triazin-3,5(2H,4H)-dione","","- C16 H17 N3 O7 -","- C16 H17 N3 O7 -","- C64 H68 N12 O28 -","4","1","GG3052","Seela, Frank; Chittepu, Padmaja; He, Yang; Eickmeier, Henning; Reuter, Hans","6-Aza-2'-deoxyuridine and <i>N</i>^3^-anisoyl-6-aza-2'-deoxyuridine","Acta Crystallographica Section C","2007","63","3","o173","o176","10.1107/S0108270107002016","","","0.71073","MoKα","","0.0495","0.0348","","","0.0854","0.0938","","","","","","1.016","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015878","7.9602","0.0013","11.6135","0.0018","26.586","0.005","90","","90","","90","","2457.8","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,4-Diethylmaleinimide","3,4-Diethyl-2,5-dihydro-1H-pyrrole-2,5-dione","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C96 H132 N12 O24 -","12","3","AV3071","Bröring, Martin; Brégier, Frédérique; Kleeberg, Christian","3,4-Diethyl-2,5-dihydro-1<i>H</i>-pyrrole-2,5-dione","Acta Crystallographica Section C","2007","63","4","o225","o227","10.1107/S0108270107006737","","","0.71073","MoKα","","0.1011","0.0471","","","0.0974","0.1078","","","","","","0.8","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015886","9.4829","0.0004","9.5307","0.0004","25.3955","0.0008","90","","90","","90","","2295.21","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((E)-{(1R,2R)-2-[(E)-(2-Hydroxy-1- naphthyl)methyleneamino]cyclohexyl}iminiomethyl)naphthalen-2-olate","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C112 H104 N8 O8 -","4","1","FA3062","Karabıyık, Hasan; Güzel, Bilgehan; Aygün, Muhittin; Boğa, Gülnaz; Büyükgüngör, Orhan","1-((<i>E</i>)-{(1<i>R</i>,2<i>R</i>)-2-[(<i>E</i>)-(2-Hydroxy-1-naphthyl)methyleneamino]cyclohexyl}iminiomethyl)naphthalen-2-olate: a Schiff base compound having both OH and NH character","Acta Crystallographica Section C","2007","63","4","o215","o218","10.1107/S0108270107005689","","","0.71073","MoKα","","0.0444","0.033","","","0.0765","0.0816","","","","","","0.918","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015896","9.397","0.003","18.314","0.002","7.399","0.004","90","","90","","90","","1273.3","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,6-Dimethyl-2-(3-pyridyl)quinolin-5-amine","","- C16 H15 N3 -","- C16 H15 N3 -","- C64 H60 N12 -","4","1","GD3088","Montaño, Ángela Marcela; Henao, José Antonio; Vargas-Méndez, Leonor Y.; Kouznetsov, Vladimir V.; Atencio, Reinaldo","4,6-Dimethyl-2-(3-pyridyl)quinolin-5-amine","Acta Crystallographica Section C","2007","63","4","o228","o230","10.1107/S0108270107006221","","","0.71073","MoKα","","0.0465","0.0379","","","0.0961","0.1026","","","","","","1.078","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015922","9.1548","0.0005","9.3937","0.0005","16.7305","0.001","90","","90","","90","","1438.78","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-bis(2-hydroxy-1-methylethyl)phthalamide","","- C14 H20 N2 O4 -","- C14 H20 N2 O4 -","- C56 H80 N8 O16 -","4","1","SQ3062","Guzei, Ilia A.; Spencer, Lara C.; McGaff, Robert W.; Kieler, Heidi M.; Robinson, Jerome R.","Constructor graph description of hydrogen bonding in a supramolecular assembly of <i>N</i>,<i>N</i>'-bis(2-hydroxy-1-methylethyl)phthalamide","Acta Crystallographica Section C","2007","63","4","o255","o258","10.1107/S0108270107009146","","","0.71073","Mo-Kα","","0.0399","0.0317","","","0.0785","0.0832","","","","","","1.127","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015927","6.4451","0.0001","13.9619","0.0002","14.0081","0.0002","90","","90","","90","","1260.53","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aS,7R,8aR)-7-Isopropenyl-4a-methyl-3-methyleneperhydrochromen-2-one","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","AV3076","Wojciechowski, Jakub; Krawczyk, Henryk; Śliwiński, Marcin; Kafarska, Karolina; Wolf, Wojciech M.","X-ray investigations of bicyclic α-methylene-δ-valerolactones. V. (4a<i>S</i>,7<i>R</i>,8a<i>R</i>)-7-Isopropenyl-4a-methyl-3-methyleneperhydrochromen-2-one","Acta Crystallographica Section C","2007","63","5","o280","o282","10.1107/S0108270107011821","","","1.54178","CuKα","","0.0345","0.0341","","","0.0969","0.0974","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015935","6.089","0.0007","15.3562","0.0009","23.1522","0.0011","90","","90","","90","","2164.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-3,5-Bis[(E)-benzylidene]-1-(1-phenylethyl)piperidin-4-one","","- C27 H25 N O -","- C27 H25 N O -","- C108 H100 N4 O4 -","4","1","DN3041","J. Suresh; R. Suresh Kumar; S. Perumal; S. Natarajan","(<i>R</i>)-3,5-Bis[(<i>E</i>)-benzylidene]-1-(1-phenylethyl)piperidin-4-one, 3,5-bis[(<i>E</i>)-4-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one and 3,5-bis[(<i>E</i>)-2-chlorobenzylidene]-1-[(<i>R</i>)-1-phenylethyl]piperidin-4-one","Acta Crystallographica Section C","2007","63","5","o315","o318","10.1107/S0108270107011626","","","0.71073","MoKα","","0.0792","0.0319","","","0.0743","0.0934","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015945","6.4641","0.0004","7.8224","0.0005","18.6122","0.0013","90","","90","","90","","941.12","0.11","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-3-(Ammoniomethyl)-5-methylhexanoate","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","1","GA3046","Venu, Nalivela; Vishweshwar, Peddy; Ram, Thaimattam; Surya, Devarakonda; Apurba, Bhattacharya","(<i>S</i>)-3-(Ammoniomethyl)-5-methylhexanoate (pregabalin)","Acta Crystallographica Section C","2007","63","5","o306","o308","10.1107/S0108270107016952","","","0.7107","MoKα","","","0.051","","","","0.056","","","","","","1.097","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015947","10.7451","0.0004","11.0327","0.0004","31.2265","0.0012","90","","90","","90","","3701.8","0.2","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Diaqua[methyl 4-O-benzyl-2,3,6-tri-O-(2-picolyl)-α-D-mannopyranoside]cobalt(II) bis(perchlorate) monohydrate","","- C32 H41 Cl2 Co N3 O17 -","- C32 H41 Cl2 Co N3 O17 -","- C128 H164 Cl8 Co4 N12 O68 -","4","1","GD3097","Cisnetti, Federico; Guillot, Regis; Thérisod, Michel; Policar, Clotilde","Diaqua[methyl 4-<i>O</i>-benzyl-2,3,6-tri-<i>O</i>-(2-picolyl)-α-<small>D</small>-mannopyranoside]cobalt(II) bis(perchlorate) monohydrate: partial coordination of a ligand derived from <small>D</small>-mannose","Acta Crystallographica Section C","2007","63","5","m201","m203","10.1107/S0108270107013522","","","0.71073","MoKα","","0.0377","0.0317","","","0.0686","0.0702","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2015964","6.4711","0.0013","9.781","0.002","12.524","0.003","90","","90","","90","","792.7","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-carbamoyl-L-proline","(2S)-1-Carbamoylpyrrolidine-2-carboxylic acid","","- C6 H10 N2 O3 -","- C6 H10 N2 O3 -","- C24 H40 N8 O12 -","4","1","SK3108","Seijas, Luis E.; Delgado, Gerzon E.; Mora, Asiloé J.; Bahsas, Ali; Briceño, Alexander","(2<i>S</i>)-1-Carbamoylpyrrolidine-2-carboxylic acid","Acta Crystallographica Section C","2007","63","5","o303","o305","10.1107/S0108270107014102","","","0.7107","MoKα","","0.0574","0.0478","","","0.1227","0.1322","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2015981","9.3969","0.0005","9.4328","0.0005","12.2133","0.0007","90","","90","","90","","1082.58","0.1","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","GA3047","Calvet, Géraldine; Blanchard, Nicolas; Kouklovsky, Cyrille; Guillot, Régis","2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl benzoate, 2,2-dimethyl-5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate and 5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate","Acta Crystallographica Section C","2007","63","6","o365","o368","10.1107/S0108270107021804","","","0.71073","MoKα","","0.042","0.0339","","","0.0869","0.0909","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016005","12.7929","0.0012","13.4006","0.0012","14.4847","0.0014","90","","90","","90","","2483.1","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tetraphenylphosphonium copper(I) dicyanamide","Poly[tetraphenylphosphonium copper(I)-di-μ~2~-dicyanamido]","","- C28 H20 Cu N6 P -","- C28 H20 Cu N6 P -","- C112 H80 Cu4 N24 P4 -","4","1","SF3036","Schlueter, John A.; Geiser, Urs","Poly[tetraphenylphosphonium copper(I)-di-μ~2~-dicyanamido]","Acta Crystallographica Section C","2007","63","6","m235","m237","10.1107/S0108270107015387","","","0.71073","MoKα","","0.0559","0.0388","","","0.0772","0.0827","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016006","11.5681","0.0003","12.0702","0.0003","13.512","0.002","90","","90","","90","","1886.7","0.3","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,17-Dioxoandrost-4-en-4-yl acetate","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","SK3116","Andrade, L. C. R.; Paixão, J. A.; de Almeida, M. J. M.; Fernandes Roleira, F. M.; Tavares da Silva, E. J.","3,17-Dioxoandrost-4-en-4-yl acetate","Acta Crystallographica Section C","2007","63","6","o330","o331","10.1107/S0108270107015533","","","1.5418","CuKα","","0.0489","0.0291","","","0.0748","0.0884","","","","","","1.092","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016011","4.6982","0.0006","9.9532","0.0013","25.719","0.004","90","","90","","90","","1202.7","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(4-Nitrobenzoyl)-N'-phenylhydrazine","N-anilino-4-nitrobenzamide","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C52 H44 N12 O12 -","4","1","SQ3075","Wardell, James L.; Low, John N.; Glidewell, Christopher","<i>N</i>-(4-Nitrobenzoyl)-<i>N</i>'-phenylhydrazine: a three-dimensional hydrogen-bonded framework","Acta Crystallographica Section C","2007","63","6","o334","o336","10.1107/S0108270107020628","","","0.71073","MoKα","","0.0643","0.0535","","","0.135","0.1485","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016048","7.8995","0.0008","9.5228","0.001","21.093","0.002","90","","90","","90","","1586.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7,9,10,17,18-hexahydro-5H,11H-8,16,19-trioxa-5,11- diazadibenzo[a,g]cyclopentadecene","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","GZ3082","Smith, Gary L. N.; Powell, Douglas R.; Khan, Masood A.; Taylor, Richard W.","Three related benzoannelated diazapolyether macrocycles: effects of macrocycle ring size and position of benzo groups on hydrogen bonding of the amine H atoms","Acta Crystallographica Section C","2007","63","7","o378","o381","10.1107/S0108270107022160","","","0.71073","MoKα","","0.0261","0.0258","","","0.0708","0.071","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016062","8.6938","0.0005","12.1331","0.0007","19.5321","0.0012","90","","90","","90","","2060.3","0.2","273","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-4-{3-[2-(dimethylamino)ethyl]-1<i>H</i>-indol-5- ylmethyl}oxazolidin-2-one benzene solvate","","- C22 H27 N3 O2 -","- C22 H27 N3 O2 -","- C88 H108 N12 O8 -","4","1","SF3041","G. Y. S. K. Swamy; B. Sridhar; K. Ravikumar; Harihara Krishnan","The 1:1 inclusion compounds zolmitriptan‒benzene and zolmitriptan‒phenol","Acta Crystallographica Section C","2007","63","7","o437","o440","10.1107/S0108270107026790","","","0.71073","MoKα","","0.041","0.0393","","","0.1113","0.1132","","","","","","1.292","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016067","11.7604","0.0004","14.9847","0.0007","15.1844","0.0008","90","","90","","90","","2675.9","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","rac-2-isopropyl-3-(2-nitrobenzyl)-1,3-thiazolidin-4-one","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C104 H128 N16 O24 S8 -","8","2","SK3126","Cunico, Wilson; Gomes, Claudia R. B.; Wardell, Solange M. S. V.; Low, John N.; Glidewell, Christopher","Racemic 2-isopropyl-3-(2-nitrobenzyl)-1,3-thiazolidin-4-one crystallizes in the space group <i>P</i>2~1~2~1~2~1~ with <i>Z</i>' = 2: two different interpenetrating three-dimensional frameworks formed by C—H···O hydrogen bonds","Acta Crystallographica Section C","2007","63","7","o411","o414","10.1107/S0108270107022913","","","0.71073","MoKα","","0.0987","0.0464","","","0.0706","0.0831","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016082","8.365","0.002","9.795","0.003","20.946","0.005","90","","90","","90","","1716.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[pentaaquasulfato-μ~4~-(R,R)-tartrato-dicadmium(II)] trihydrate]","","- C4 H20 Cd2 O18 S -","- C4 H20 Cd2 O18 S -","- C16 H80 Cd8 O72 S4 -","4","1","BG3040","Drzewiecka, Aleksandra; Stepniak, Krystyna; Barcicka, Anna; Koziol, Anna E.","Poly[[pentaaquasulfato-μ~4~-(<i>R</i>,<i>R</i>)-tartrato-dicadmium(II)] trihydrate]","Acta Crystallographica Section C","2007","63","8","m346","m348","10.1107/S0108270107027862","","","0.71073","MoKα","","0.0614","0.0371","","","0.0547","0.0589","","","","","","0.903","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016088","7.3938","0.0013","14.829","0.003","15.25","0.003","90","","90","","90","","1672.1","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>rctt</i>-3,3'-(3,4-dicarboxycyclobutane-1,2-diyl)dipyridinium dichloride","","- C16 H16 Cl2 N2 O4 -","- C16 H16 Cl2 N2 O4 -","- C64 H64 Cl8 N8 O16 -","4","1","FA3092","Alexander Briceño; Reinaldo Atencio; Raquel Gil; Alejandra Nobrega","Hydrogen-bonded networks in <i>trans</i>-3-(3-pyridyl)acrylic acid and <i>rctt</i>-3,3'-(3,4-dicarboxycyclobutane-1,2-diyl)dipyridinium dichloride","Acta Crystallographica Section C","2007","63","8","o441","o444","10.1107/S0108270107027497","","","0.7107","MoKα","","0.0503","0.0381","","","0.0882","0.1031","","","","","","1.149","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016106","11.606","0.006","12.155","0.002","22.12","0.004","90","","90","","90","","3120.5","1.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(Dimethylimidazolidine-2-selone-κ<i>Se</i>)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')copper(II) bis(perchlorate)","","- C29 H26 Cl2 Cu N6 O8 Se -","- C29 H26 Cl2 Cu N6 O8 Se -","- C116 H104 Cl8 Cu4 N24 O32 Se4 -","4","1","SK3135","Blake, Alexander J.; Lippolis, Vito; Pivetta, Tiziana; Verani, Gaetano","(1,3-Dimethylimidazolidine-2-selone-κ<i>Se</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(perchlorate) and bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(imidazolidine-2-thione-κ<i>S</i>)copper(II) bis(perchlorate)","Acta Crystallographica Section C","2007","63","8","m364","m367","10.1107/S0108270107026753","","","0.71073","MoKα","","0.118","0.0735","","","0.119","0.144","","","","","","1.23","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016107","11.493","0.007","11.861","0.009","20.166","0.01","90","","90","","90","","2749","3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(imidazolidine-2-thione- κ<i>S</i>)copper(II) bis(perchlorate)","","- C23 H22 Cl2 Cu N6 O8 S -","- C23 H22 Cl2 Cu N6 O8 S -","- C92 H88 Cl8 Cu4 N24 O32 S4 -","4","1","SK3135","Blake, Alexander J.; Lippolis, Vito; Pivetta, Tiziana; Verani, Gaetano","(1,3-Dimethylimidazolidine-2-selone-κ<i>Se</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(perchlorate) and bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(imidazolidine-2-thione-κ<i>S</i>)copper(II) bis(perchlorate)","Acta Crystallographica Section C","2007","63","8","m364","m367","10.1107/S0108270107026753","","","0.71073","MoKα","","0.0723","0.0611","","","0.15","0.164","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016135","5.3812","0.0003","9.9032","0.0006","20.1882","0.0012","90","","90","","90","","1075.85","0.11","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-Methyl 2-anilinomethylene-3-oxobutanoate","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","DN3055","Vratislav Langer; Eva Scholtzová; Viktor Milata; Tomáš Solčan","(<i>E</i>)-Methyl 2-anilinomethylene-3-oxobutanoate: X-ray and density functional theory studies","Acta Crystallographica Section C","2007","63","9","o552","o554","10.1107/S0108270107034397","","","0.71073","MoKα","","0.0459","0.0353","","","0.0929","0.1","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016144","6.4968","0.0005","10.2591","0.0011","13.3852","0.001","90","","90","","90","","892.14","0.14","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","poly[μ~3~-(boric acid)-μ~4~-maleato-dipotassium]","","- C4 H5 B K2 O7 -","- C4 H5 B K2 O7 -","- C16 H20 B4 K8 O28 -","4","1","GA3059","Mustafa Tombul; Kutalmis Guven; Orhan Büyükgüngör; Huseyin Aktas; Tahsin Nuri Durlu","Dipotassium maleate with boric acid","Acta Crystallographica Section C","2007","63","9","m430","m432","10.1107/S0108270107036165","","","0.71073","MoKα","","0.0278","0.0273","","","0.0714","0.0718","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016179","11.5536","0.0006","18.4508","0.0009","18.9844","0.001","90","","90","","90","","4047","0.4","84","2","84","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(4,4'-DPyH2)2.(FeBr4)3.Br","bis(4,4'-bipyridinium) tris[tetrabromidoferrate(III)] bromide","","- C20 H20 Br13 Fe3 N4 -","- C20 H20 Br13 Fe3 N4 -","- C80 H80 Br52 Fe12 N16 -","4","1","BG3043","Ali, Basem Fares; Al-Far, Rawhi","A novel framework of N—H···Br hydrogen bonds forming Br(4,4'-bipyridinium)~4~ supramolecular synthons: bis(4,4'-bipyridinium) tris[tetrabromidoferrate(III)] bromide","Acta Crystallographica Section C","2007","63","10","m451","m453","10.1107/S0108270107039856","","","0.71073","MoKα","","0.0425","0.0301","","","0.052","0.0547","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016180","7.2117","0.0001","12.9868","0.0003","14.247","0.0004","90","","90","","90","","1334.33","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Acetyl-L-tyrosine methyl ester monohydrate","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","BM3032","Janik, Alicja; Chyra, Anna; Stadnicka, Katarzyna","<i>N</i>-Acetyl-<small>L</small>-tyrosine methyl ester monohydrate at 293 and 123K","Acta Crystallographica Section C","2007","63","10","o572","o575","10.1107/S0108270107038413","","","0.71073","MoKα","","0.0533","0.0395","","","0.0922","0.1008","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016181","7.1118","0.0002","12.9364","0.0003","14.1538","0.0004","90","","90","","90","","1302.17","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Acetyl-L-tyrosine methyl ester monohydrate","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","BM3032","Janik, Alicja; Chyra, Anna; Stadnicka, Katarzyna","<i>N</i>-Acetyl-<small>L</small>-tyrosine methyl ester monohydrate at 293 and 123K","Acta Crystallographica Section C","2007","63","10","o572","o575","10.1107/S0108270107038413","","","0.71073","MoKα","","0.0358","0.0317","","","0.081","0.0838","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016194","7.075","0.002","15.844","0.008","18.554","0.006","90","","90","","90","","2079.8","1.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-<i>N</i>,<i>N</i>'-bis(2-nitrobenzyl)propane-1,3-diammonium dichloride","","- C17 H22 Cl2 N4 O5 -","- C17 H22 Cl2 N4 O5 -","- C68 H88 Cl8 N16 O20 -","4","1","GD3137","Rodríguez de Barbarín, Cecilia; Bernès, Sylvain; Nájera, Blanca; Elizondo, Perla","Acyclic Schiff base salts derived from 1,3-diaminopropane and 1,3-diamino-2-hydroxypropane","Acta Crystallographica Section C","2007","63","10","o597","o599","10.1107/S010827010704156X","","","0.71073","MoKα","","0.0811","0.0547","","","0.1294","0.1445","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016210","7.7618","0.0014","9.688","0.002","17.707","0.003","90","","90","","90","","1331.5","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,4-diamino-7-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)-5-bromo-7H- pyrrolo[2,3-d]pyrimidine","","- C11 H13 Br F N5 O3 -","- C11 H13 Br F N5 O3 -","- C44 H52 Br4 F4 N20 O12 -","4","1","SF3039","Seela, Frank; Ding, Ping; Peng, Xiaohua; Eickmeier, Henning; Reuter, Hans","The 7-bromo derivative of 2-amino-2'-deoxytubercidin fluorinated at the sugar moiety","Acta Crystallographica Section C","2007","63","10","o600","o602","10.1107/S0108270107027138","","","0.71073","MoKα","","0.052","0.0396","","","0.0986","0.1058","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016211","7.4534","0.0007","9.0663","0.0008","10.6966","0.0009","90","","90","","90","","722.82","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-deoxy-β-D-glucopyranose","3-deoxy-β-D-ribo-hexopyranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","SF3042","Zhang, Wenhui; Noll, Bruce C.; Serianni, Anthony S.","3-Deoxy-β-<small>D</small>-<i>ribo</i>-hexopyranose (3-deoxy-β-<small>D</small>-glucopyranose)","Acta Crystallographica Section C","2007","63","10","o578","o581","10.1107/S0108270107038553","","","1.54178","CuKα","","0.0259","0.0256","","","0.0681","0.0685","","","","","","1.057","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016236","6.0186","0.0006","8.0624","0.0008","33.082","0.003","90","","90","","90","","1605.3","0.3","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2,2-trichloro-N,N'-bis(4-chlorophenyl)ethane-1,1-diamine","","- C14 H11 Cl5 N2 -","- C14 H11 Cl5 N2 -","- C56 H44 Cl20 N8 -","4","1","BM3036","Zhen-Feng Zhang; Jian-Hua Qin; Si-Qian Wang; Gui-Rong Qu","Hydrogen-bonded chains in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-methoxyphenyl)ethane-1,1-diamine and a three-dimensional hydrogen-bonded framework in 2,2,2-trichloro-<i>N</i>,<i>N</i>'-bis(4-chlorophenyl)ethane-1,1-diamine","Acta Crystallographica Section C","2007","63","11","o622","o625","10.1107/S0108270107041546","","","0.71073","MoKα","","0.0254","0.0243","","","0.0623","0.0632","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016244","7.45","0.0001","7.546","0.0001","10.6766","0.0002","90","","90","","90","","600.214","0.016","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Trisamarium molybdenum heptaoxide","","- Mo O7 Sm3 -","- Mo O7 Sm3 -","- Mo4 O28 Sm12 -","4","1","FA3110","Barrier, N.; Gall, P.; Gougeon, P.","Rare-earth site splitting in Sm~3~MoO~7~","Acta Crystallographica Section C","2007","63","11","i102","i104","10.1107/S0108270107045416","","","0.71069","MoKα","","0.0264","0.0216","","","0.0401","0.0419","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016252","7.4716","0.00011","8.7226","0.00012","30.2407","0.0005","90","","90","","90","","1970.84","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>R</i>,14<i>S</i>, 17<i>R</i>,20<i>R</i>)-3-oxo-5β-24-norcholanic acid","","- C23 H36 O3 -","- C23 H36 O3 -","- C92 H144 O12 -","4","1","GA3075","Dufort, Marisa DeVita; Davison, Mark; Lalancette, Roger A.; Thompson, Hugh W.","3-Oxo-5β-24-norcholanic acid: acid-to-acid hydrogen-bonding catemers employing the rare <i>anti</i> carboxyl conformation in the aggregation of a steroid keto acid","Acta Crystallographica Section C","2007","63","11","o646","o649","10.1107/S0108270107047014","","","1.54178","CuKα","","0.056","0.04","","","0.095","0.101","","","","","","1.04","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016272","9.5798","0.0004","9.9284","0.0005","13.7788","0.0006","90","","90","","90","","1310.53","0.1","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TBPY-5-34-[2-oxy-κO-acetophenone-N-(2-oxy-κO-ethyl) iminato-κN]silacyclopentane","(Ethane-1,2-diyl)(2-{[1-(2-oxidophenyl)ethylidene-κO]amino-κN}ethanolato-\ κO)silicon","","- C14 H19 N O2 Si -","- C14 H19 N O2 Si -","- C56 H76 N4 O8 Si4 -","4","1","JZ3090","Böhme, Uwe; Foehn, Ines C.","Two modifications of a five-coordinate silicon complex","Acta Crystallographica Section C","2007","63","11","o613","o616","10.1107/S0108270107045465","","","0.71073","MoKα","","0.0382","0.0336","","","0.084","0.0867","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016333","9.7644","0.0007","14.8595","0.0015","16.9586","0.0012","90","","90","","90","","2460.6","0.4","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dichlorido[(<i>S</i>,<i>R</i>~S~)-1-diphenylphosphino-2- (ethylsulfanylmethyl)ferrocene]palladium(II)","","- C25 H25 Cl2 Fe P Pd S -","- C25 H25 Cl2 Fe P Pd S -","- C100 H100 Cl8 Fe4 P4 Pd4 S4 -","4","1","HJ3055","Diab, Lisa; Daran, Jean-Claude; Gouygou, Maryse; Manoury, Eric; Urrutigoïty, Martine","Dichlorido[(<i>S</i>,<i>R</i>~S~)-1-diphenylphosphino-2-(ethylsulfanylmethyl)ferrocene]palladium(II)","Acta Crystallographica Section C","2007","63","12","m586","m588","10.1107/S0108270107052742","","","0.71073","MoKα","","0.0253","0.0236","","","0.0581","0.0587","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016336","6.7083","0.0012","7.865","0.0014","28.811","0.005","90","","90","","90","","1520.1","0.5","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","benzene-1,2,3-tricarbonitrile","","- C9 H3 N3 -","- C9 H3 N3 -","- C72 H24 N24 -","8","2","HJ3057","Jones, Peter G.; Hopf, Henning; Mlynek, Cornelia; Swaminathan, Vijay Narayanan","Weak C—H···N[tripleC hydrogen bonds in the structures of two poly(cyano)-substituted ring systems","Acta Crystallographica Section C","2007","63","12","o723","o725","10.1107/S0108270107052535","","","0.71073","MoKα","","0.0693","0.0539","","","0.1099","0.1151","","","","","","1.074","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016353","8.955","0.003","11.2165","0.0015","11.567","0.0015","90","","90","","90","","1161.8","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-amino-6-(methylanilino)-5-nitropyrimidin-4(3H)-one","","- C11 H11 N5 O3 -","- C11 H11 N5 O3 -","- C44 H44 N20 O12 -","4","1","SK3172","Rodríguez, Ricaurte; Cobo, Justo; Nogueras, Manuel; Low, John N.; Glidewell, Christopher","A three-dimensional hydrogen-bonded framework in 2-amino-6-(<i>N</i>-methylanilino)pyrimidin-4(3<i>H</i>)-one and a ribbon of fused hydrogen-bonded rings in 2-amino-6-(<i>N</i>-methylanilino)-5-nitropyrimidin-4(3<i>H</i>)-one","Acta Crystallographica Section C","2007","63","12","o697","o700","10.1107/S0108270107049931","","","0.71073","MoKα","","0.1299","0.0544","","","0.1123","0.1378","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016400","4.9758","0.0007","8.6213","0.0013","25.521","0.004","90","","90","","90","","1094.8","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-1-(methylaminocarbonyl)-3-phenylpropanaminium chloride","","- C10 H15 Cl N2 O -","- C10 H15 Cl N2 O -","- C40 H60 Cl4 N8 O4 -","4","1","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.6904","synchrotron","","0.0695","0.0579","","","0.1463","0.1572","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016401","7.1167","0.0014","19.237","0.004","30.37","0.006","90","","90","","90","","4157.8","1.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride","","- C13 H19 Cl N2 O -","- C13 H19 Cl N2 O -","- C156 H228 Cl12 N24 O12 -","12","3","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.6904","synchrotron","","0.0774","0.0559","","","0.1176","0.1311","","","","","","0.985","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016402","7.123","0.001","19.232","0.003","30.384","0.004","90","","90","","90","","4162.3","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-5-benzyl-2,2,3-trimethyl-4-oxoimidazolidin-1-ium chloride","","- C13 H19 Cl N2 O -","- C13 H19 Cl N2 O -","- C156 H228 Cl12 N24 O12 -","12","3","SF3055","Burley, Jonathan C.; Gilmour, Ryan; Prior, Timothy J.; Day, Graeme M.","Structural diversity in imidazolidinone organocatalysts: a synchrotron and computational study","Acta Crystallographica Section C","2008","64","1","o10","o14","10.1107/S0108270107051396","","","0.6904","synchrotron","","0.1019","0.0713","","","0.1474","0.1705","","","","","","1.032","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016428","7.2144","0.0003","14.0623","0.0006","16.7536","0.0008","90","","90","","90","","1699.67","0.13","140","1","140","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Phenyluridine 2.06-hydrate","","- C15 H17.75 N2 O9.06 -","- C15 H17.75 N2 O9.06 -","- C60 H71 N8 O36.24 -","4","1","GD3149","Pesnot, Thomas; Hughes, David L.; Wagner, Gerd K.","5-Phenyluridine trihydrate","Acta Crystallographica Section C","2008","64","2","o44","o46","10.1107/S0108270107064177","","","0.71073","Mo-Kα","","0.0829","0.0577","","","0.1008","0.1112","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016443","13.7461","0.0018","23.674","0.003","26.781","0.003","90","","90","","90","","8715.2","1.9","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(dibenzoylmethylene-κ<i>C</i>)(ethanol-κ<i>O</i>){5,10,15,20- tetrakis[(1<i>S</i>,4<i>R</i>,5<i>R</i>,8<i>S</i>)-1,2,3,4,5,6,7,8-octahydro- 1,4:5,8-dimethanoanthracen-9-yl]porphyrinato-κ^4^<i>N</i>}ruthenium(II)‒ ethanol‒dichloromethane (1/2/2)","","- C107 H108 Cl4 N4 O5 Ru -","- C107 H108 Cl4 N4 O5 Ru -","- C428 H432 Cl16 N16 O20 Ru4 -","4","1","LN3081","Hirasawa, Kai; Yuge, Hidetaka; Miyamoto, Takeshi Ken","Enantiomorphs of a carbene‒ruthenium(II)‒porphyrin complex with four `chiral pillars'","Acta Crystallographica Section C","2008","64","2","m97","m100","10.1107/S0108270107068059","","","0.71073","MoKα","","0.0661","0.0572","","","0.1275","0.1343","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016444","13.7694","0.0015","23.691","0.003","26.794","0.003","90","","90","","90","","8740.5","1.8","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(dibenzoylmethylene-κ<i>C</i>)(ethanol-κ<i>O</i>)[5,10,15,20-tetrakis-\ {(1<i>R</i>,4<i>S</i>,5<i>S</i>,8<i>R</i>)-1,2,3,4,5,6,7,8-octahydro-1,4:5,\ 8-dimethanoanthracen-9-yl}porphyrinato-κ^4^<i>N</i>]ruthenium(II) dichloromethane disolvate ethanol disolvate","","- C107 H108 Cl4 N4 O5 Ru -","- C107 H108 Cl4 N4 O5 Ru -","- C428 H432 Cl16 N16 O20 Ru4 -","4","1","LN3081","Hirasawa, Kai; Yuge, Hidetaka; Miyamoto, Takeshi Ken","Enantiomorphs of a carbene‒ruthenium(II)‒porphyrin complex with four `chiral pillars'","Acta Crystallographica Section C","2008","64","2","m97","m100","10.1107/S0108270107068059","","","0.71073","MoKα","","0.0586","0.0517","","","0.1182","0.1234","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016458","5.2833","0.0007","6.3043","0.0008","38.753","0.006","90","","90","","90","","1290.8","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-propyl-3,4,5,6-tetrahydro-2H-naphtho[1,2-b]pyran-5,6-dione","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","SK3197","Sugiono, Erli; Bolte, Michael","Two polymorphs of 4-propyl-3,4-dihydro-2<i>H</i>-naphtho[1,2-<i>b</i>]pyran-5,6-dione","Acta Crystallographica Section C","2008","64","2","o84","o86","10.1107/S0108270108001170","","","0.71073","MoKα","","0.089","0.0462","","","0.0963","0.1077","","","","","","0.835","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016484","6.8915","0.0003","7.2887","0.0002","30.8009","0.0008","90","","90","","90","","1547.13","0.09","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen 4,5-dichlorophthalate","8-hydroxyquinolinium 2-carboxy-4,5-dichlorobenzoate","","- C17 H11 Cl2 N O5 -","- C17 H11 Cl2 N O5 -","- C68 H44 Cl8 N4 O20 -","4","1","GD3186","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","One-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with 8-hydroxyquinoline, 8-aminoquinoline and quinoline-2-carboxylic acid (quinaldic acid)","Acta Crystallographica Section C","2008","64","3","o180","o183","10.1107/S0108270108004034","","","1.54184","CuKα","","0.0363","0.0357","","","0.0981","0.0985","","","","","","1.062","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016485","7.2003","0.0006","7.3039","0.0006","29.438","0.003","90","","90","","90","","1548.2","0.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","8-aminoquinolinium hydrogen 4,5-dichlorophthalate","8-aminoquinolinium 2-carboxy-4,5-dichlorobenzoate","","- C17 H12 Cl2 N2 O4 -","- C17 H12 Cl2 N2 O4 -","- C68 H48 Cl8 N8 O16 -","4","1","GD3186","Smith, Graham; Wermuth, Urs D.; White, Jonathan M.","One-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of 4,5-dichlorophthalic acid with 8-hydroxyquinoline, 8-aminoquinoline and quinoline-2-carboxylic acid (quinaldic acid)","Acta Crystallographica Section C","2008","64","3","o180","o183","10.1107/S0108270108004034","","","0.71073","MoKα","","0.0301","0.029","","","0.0726","0.0732","","","","","","1.075","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016495","8.1594","0.0003","15.3466","0.0006","15.5582","0.0006","90","","90","","90","","1948.18","0.13","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis(acetylacetonato-κ^2^O,O')(2,2'-bipyridine-κ^2^N,N')zinc(II)","","- C20 H22 N2 O4 Zn -","- C20 H22 N2 O4 Zn -","- C80 H88 N8 O16 Zn4 -","4","1","GG3140","Brahma, Sanjaya; Sachin, H. P.; Shivashankar, S. A.; Narasimhamurthy, T.; Rathore, R. S.","Adducts of bis(acetylacetonato)zinc(II) with 1,10-phenanthroline and 2,2'-bipyridine","Acta Crystallographica Section C","2008","64","3","m140","m143","10.1107/S0108270108003818","","","0.71073","MoKα","","0.024","0.0224","","","0.0517","0.0525","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016523","6.9047","0.0004","12.5332","0.0009","21.8652","0.0018","90","","90","","90","","1892.2","0.2","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-poly[[(4,4'-bi-1,2,4-triazole-κN^1^)bis(thiocyanato-κN)copper(II)]- μ-4,4'-bi-1,2,4-triazole-κ^2^N^1^:N^1'^ dihydrate]","","- C10 H12 Cu N14 O2 S2 -","- C10 H12 Cu N14 O2 S2 -","- C40 H48 Cu4 N56 O8 S8 -","4","1","SQ3120","Govor, Evgeniy V.; Lysenko, Andrey B.; Domasevitch, Konstantin V.; Rusanov, Eduard B.; Chernega, Alexander N.","Copper(II) and cadmium(II) isothiocyanate coordination polymers with 4,4'-bi-1,2,4-triazole","Acta Crystallographica Section C","2008","64","3","m117","m120","10.1107/S0108270108001479","","","0.71073","MoKα","","0.0251","0.0219","","","0.0508","0.0515","","","","","","0.95","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016535","6.0445","0.0001","12.1149","0.0002","28.9321","0.0004","90","","90","","90","","2118.65","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-(1<i>H</i>-indazol-1-yl)androsta-5,16-dien-3β-ol","","- C26 H32 N2 O -","- C26 H32 N2 O -","- C104 H128 N8 O4 -","4","1","DN3083","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","1<i>H</i>-Indazole and 2<i>H</i>-indazole derivatives of androsta-5,16-dien-3β-ol","Acta Crystallographica Section C","2008","64","4","o217","o219","10.1107/S0108270108005842","","","0.71073","MoKα","","0.0629","0.0402","","","0.1088","0.1391","","","","","","1.09","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016544","6.1137","0.0016","11.6779","0.0014","41.33","0.005","90","","90","","90","","2950.8","0.9","296","1","296","1","101","2","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,16-diacetyl pseudosolasodine B","(25R)-22,26-epiminocholesta-5,22(<i>N</i>)-diene-3β,16β-diyl diacetate","","- C31 H47 N O4 -","- C31 H47 N O4 -","- C124 H188 N4 O16 -","4","1","GD3197","Vega-Baez, José Luis; Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Montiel-Smith, Sara; Gómez-Calvario, Victor; Bernès, Sylvain","Accurate stereochemistry for two related 22,26-epiminocholestene derivatives","Acta Crystallographica Section C","2008","64","4","o214","o216","10.1107/S0108270108005763","","","0.71073","MoKα","","0.0877","0.0517","","","0.1256","0.1538","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016586","11.891","0.003","12.022","0.003","23.838","0.005","90","","90","","90","","3407.7","1.4","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Zn(bqbpen)](ClO4)2.H2O","[N,N'-bis(2-pyridylmethyl)-N,N'-bis(2-quinolmethyl)ethane-1,2-diamine-κ^6^N]- zinc(II) diperchlorate monohydrate","","- C34 H34 Cl2 N6 O9 Zn -","- C34 H34 Cl2 N6 O9 Zn -","- C136 H136 Cl8 N24 O36 Zn4 -","4","1","GA3084","Hazell, Alan; Mønsted, Ole; Rasmussen, Jens Christian; Toftlund, Hans","Three overcrowded zinc(II) complexes with potentially hexadentate polypyridyl ligands","Acta Crystallographica Section C","2008","64","5","m185","m189","10.1107/S0108270108007014","","","0.71073","MoKα","","","0.033","","","","0.038","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016595","4.9394","0.0013","14.6718","0.0019","16.8181","0.0016","90","","90","","90","","1218.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-amino-5-fluoro-7-(β-D-ribofuranosyl)-7<i>H</i>- pyrrolo[2,3-<i>d</i>]pyrimidine","","- C11 H13 F N4 O4 -","- C11 H13 F N4 O4 -","- C44 H52 F4 N16 O16 -","4","1","HJ3068","Seela, Frank; Ming, Xin; Budow, Simone; Eickmeier, Henning; Reuter, Hans","7-Fluorotubercidin: a halogenated derivative of a naturally occurring nucleoside antimetabolite","Acta Crystallographica Section C","2008","64","5","o293","o295","10.1107/S0108270108010160","","","0.71073","MoKα","","0.0435","0.0387","","","0.1033","0.1069","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016612","5.8862","0.0001","15.0988","0.0003","21.5413","0.0004","90","","90","","90","","1914.47","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5β,6β-Epoxy-17-oxoandrostan-3β-yl acetate","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","SK3212","Pinto, Rui M. A.; Salvador, Jorge A. R.; Paixão, José A.","5β,6β-Epoxy-17-oxoandrostan-3β-yl acetate and 5β,6β-epoxy-20-oxopregnan-3β-yl acetate","Acta Crystallographica Section C","2008","64","5","o279","o282","10.1107/S0108270108009621","","","0.71073","MoKα","","0.0519","0.0402","","","0.1136","0.1228","","","","","","1.018","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016613","6.2955","0.0001","11.893","0.0001","27.9396","0.0004","90","","90","","90","","2091.9","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5β,6β-Epoxy-20-oxopregnan-3β-yl acetate","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","SK3212","Pinto, Rui M. A.; Salvador, Jorge A. R.; Paixão, José A.","5β,6β-Epoxy-17-oxoandrostan-3β-yl acetate and 5β,6β-epoxy-20-oxopregnan-3β-yl acetate","Acta Crystallographica Section C","2008","64","5","o279","o282","10.1107/S0108270108009621","","","0.71073","MoKα","","0.0492","0.0414","","","0.1192","0.1268","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016644","7.0529","0.0011","10.2407","0.0012","12.1199","0.0015","90","","90","","90","","875.4","0.2","295","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-cysteinium hemioxalate","L-Cysteinium hemioxalate","","- C5 H9 N O6 S -","- C5 H9 N O6 S -","- C20 H36 N4 O24 S4 -","4","1","LN3098","Minkov, Vasil S.; Boldyreva, Elena V.","<small>L</small>-Cysteinium semioxalate","Acta Crystallographica Section C","2008","64","6","o344","o348","10.1107/S0108270108014911","","","0.71073","MoKα","","0.0443","0.0336","","","0.0694","0.0724","","","","","","1.001","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016671","5.8508","0.0002","13.0999","0.0004","15.4187","0.0005","90","","90","","90","","1181.76","0.07","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2-oxothiazolidin-3-yl)-4,5-dihydrothiazolium hydrogen sulfate monohydrate","","- C6 H12 N2 O6 S3 -","- C6 H12 N2 O6 S3 -","- C24 H48 N8 O24 S12 -","4","1","GD3216","Corrêa, Rodrigo S.; Martins, Felipe T.; Ellena, Javier; Santos, Marcelo H. dos; Doriguetto, Antonio C.","Hydrogen bonding in 2-(2-oxothiazolidin-3-yl)-4,5-dihydrothiazolium hydrogen sulfate monohydrate","Acta Crystallographica Section C","2008","64","7","o395","o397","10.1107/S0108270108017502","","","0.71073","MoKα","","","0.0396","","","","0.106","","","","","","1.03","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016716","7.1097","0.0002","14.7372","0.0005","22.0732","0.0007","90","","90","","90","","2312.77","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>S</i>,4<i>R</i>,7<i>S</i>)- 3-(4-amino-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidin-1-yl)- 1-hydroxymethyl-2,5-dioxabicyclo[2.2.1]heptan-7-ol","","- C11 H13 N5 O4 -","- C11 H13 N5 O4 -","- C88 H104 N40 O32 -","8","2","GG3163","Pasternak, Anna; Kierzek, Ryszard; Gdaniec, Zofia; Gdaniec, Maria","A locked derivative of 8-aza-7-deazaadenosine","Acta Crystallographica Section C","2008","64","8","o467","o470","10.1107/S0108270108021628","","","0.71073","MoKα","","0.0499","0.0267","","","0.0476","0.0561","","","","","","0.974","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016737","9.6409","0.0007","10.4629","0.0008","25.5588","0.0019","90","","90","","90","","2578.2","0.3","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4''-cyano-7,7''-dimethoxy-3',6'-dioxodispiro[indane-2,2'-piperazine- 5',2''-indane]-4-carboxamide methanol solvate","","- C25 H26 N4 O6 -","- C24 H22 N4 O5 -","- C96 H88 N16 O20 -","4","1","SK3252","Jagadish, Bhumasamudram; Carducci, Michael D.; Dawson, Alice; Nichol, Gary S.; Mash, Eugene A.","(<i>S</i>,<i>S</i>)-4''-Cyano-7,7''-dimethoxy-3',6'-dioxodispiro[indane-2,2'-piperazine-5',2''-indane]-4-carboxamide methanol solvate: interrupting the amide-to-amide hydrogen-bonded tape","Acta Crystallographica Section C","2008","64","8","o431","o433","10.1107/S010827010802057X","","","0.71073","MoKα","","0.0416","0.0292","","","0.0652","0.068","","","","","","0.976","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016758","6.0689","0.0002","13.2879","0.0004","24.7664","0.0008","90","","90","","90","","1997.24","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-chloro-16-formylandrosta-5,16-dien-3β-yl acetate","","- C22 H29 Cl O3 -","- C22 H29 Cl O3 -","- C88 H116 Cl4 O12 -","4","1","GD3236","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","Conformation of 17-chloro-16-formylandrosta-5,16-dien-3β-yl acetate and 17-chloroandrosta-5,16-dien-3β-yl acetate","Acta Crystallographica Section C","2008","64","9","o529","o531","10.1107/S0108270108025997","","","0.71073","MoKα","","0.0804","0.0442","","","0.09","0.1049","","","","","","1.027","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016759","6.0271","0.0002","15.4064","0.0006","20.6081","0.0009","90","","90","","90","","1913.58","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-chloro-androsta-5,16-dien-3β-yl acetate","","- C21 H29 Cl O2 -","- C21 H29 Cl O2 -","- C84 H116 Cl4 O8 -","4","1","GD3236","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","Conformation of 17-chloro-16-formylandrosta-5,16-dien-3β-yl acetate and 17-chloroandrosta-5,16-dien-3β-yl acetate","Acta Crystallographica Section C","2008","64","9","o529","o531","10.1107/S0108270108025997","","","0.71073","MoKα","","0.0949","0.0626","","","0.1498","0.1648","","","","","","1.257","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2016761","5.2855","0.001","15.649","0.002","17.88","0.003","90","","90","","90","","1478.9","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2RS,4RS)-7-Chloro-2-<i>endo</i>-[(<i>E</i>)-styryl]-2,3,4,5-tetrahydro- 1,4-epoxy-1H-1-benzazepine","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C72 H64 Cl4 N4 O4 -","4","1","GG3177","Acosta, Lina M.; Bahsas, Ali; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three styryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: configurations, conformations and hydrogen-bonded chains","Acta Crystallographica Section C","2008","64","9","o514","o518","10.1107/S0108270108025638","","","0.71073","MoKα","","0.0814","0.0469","","","0.0739","0.0838","","","","","","1.118","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016771","7.4328","0.0011","12.3746","0.0016","14.9187","0.0019","90","","90","","90","","1372.2","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>R</i>)-7-chloro-2-<i>exo</i>-(2-chlorophenyl)- 2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine","","- C16 H13 Cl2 N O -","- C16 H13 Cl2 N O -","- C64 H52 Cl8 N4 O4 -","4","1","LN3112","Gómez, Sandra L.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in two or three dimensions","Acta Crystallographica Section C","2008","64","9","o519","o523","10.1107/S0108270108025961","","","0.71073","MoKα","","0.1875","0.0607","","","0.1112","0.1534","","","","","","1.052","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016772","9.6174","0.0018","11.558","0.003","13.465","0.004","90","","90","","90","","1496.7","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>R</i>)-7-chloro-2-<i>exo</i>- (1-naphthyl)-2,3,4,5-tetrahydro-1H-1,4-epoxy-1-benzazepine","","- C20 H16 Cl N O -","- C20 H16 Cl N O -","- C80 H64 Cl4 N4 O4 -","4","1","LN3112","Gómez, Sandra L.; Raysth, Walter; Palma, Alirio; Cobo, Justo; Low, John N.; Glidewell, Christopher","Three aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in two or three dimensions","Acta Crystallographica Section C","2008","64","9","o519","o523","10.1107/S0108270108025961","","","0.71073","MoKα","","0.0993","0.0541","","","0.0975","0.1136","","","","","","1.098","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016821","5.5957","0.0011","8.2201","0.0016","19.278","0.004","90","","90","","90","","886.7","0.3","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzylthioacetamide","N-benzylthioacetamide","","- C9 H11 N S -","- C9 H11 N S -","- C36 H44 N4 S4 -","4","1","AV3158","Śmiszek-Lindert, Wioleta; Lindert, Olaf; Nowak, Maria; Kusz, Joachim","3'-Methylacetanilide and <i>N</i>-benzylthioacetamide at low temperature","Acta Crystallographica Section C","2008","64","11","o599","o603","10.1107/S0108270108033374","","","0.71073","MoKα","","0.0226","0.0213","","","0.0646","0.0657","","","","","","1","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2016852","9.4019","0.0006","13.4089","0.0008","18.0173","0.0011","90","","90","","90","","2271.4","0.2","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","eletriptan hydrobromide monohydrate","(1S,2R)-1-methyl-2-{5-[2-(phenylsulfonyl)ethyl]-1<i>H</i>-indol-3- ylmethyl}pyrrolidinium bromide monohydrate","","- C22 H29 Br N2 O3 S -","- C22 H29 Br N2 O3 S -","- C88 H116 Br4 N8 O12 S4 -","4","1","DN3101","Ravikumar, K.; Sridhar, B.; Krishnan, Harihara; Singh, A. N.","Halide salts of antimigraine agents eletriptan and naratriptan","Acta Crystallographica Section C","2008","64","12","o653","o656","10.1107/S0108270108037621","","","0.71073","MoKα","","0.0252","0.0236","","","0.0656","0.0663","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016858","6.9616","0.0002","12.8517","0.0003","17.7512","0.0003","90","","90","","90","","1588.17","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-phenylpropylammonium 3-iodobenzoate","","- C16 H18 I N O2 -","- C16 H18 I N O2 -","- C64 H72 I4 N4 O8 -","4","1","FG3065","Lemmerer, Andreas","The hydrogen-bonding patterns of 3-phenylpropylammonium benzoate and 3-phenylpropylammonium 3-iodobenzoate: generation of chiral crystals from achiral molecules","Acta Crystallographica Section C","2008","64","12","o626","o629","10.1107/S0108270108036500","","","0.71073","MoKα","","","0.0232","","","","0.0505","","","","","","1.075","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2016890","15.317","0.003","15.056","0.002","7.255","0.002","90","","90","","90","","1673.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-S-Iodo-3',4'-dihydro-spiro[1,3-dioxolane-2,1'- (2'H)-naphthalene]-4,5-R,R-dicarboxylic Acid Dimethyl Ester","","- C16 H17 I O6 -","- C16 H17 I O6 -","- C64 H68 I4 O24 -","4","1","KA1004","Ianelli, S.; Nardelli, M.; Giordano, C.; Coppi, L.; Restelli, A.","Enantiomerically pure α-haloketals: structure and conformation of (2'<i>S</i>,4'<i>R</i>,5'<i>R</i>)-dimethyl 2'-halo-1',2',3',4'-tetrahydrospiro[1,3-dioxolane-2,1'-naphthalene]-4,5-dicarboxylates (halo = Cl, Br, I)","Acta Crystallographica Section C","1992","48","9","1722","1727","10.1107/S0108270192005699","","","1.54056","Cu-Kα~1~","","","0.0377","","","0.0587","","","","","0.8421","0.8421","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2016899","10.09","0.002","13.406","0.002","13.625","0.002","90","","90","","90","","1843","0.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5α,12β,19α)-2,3-didehydro-aspidospermidine-3-carboxylic acid methyl ester (vinadifformine)","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","1","NA1036","Palmisano, G.; Pilati, T.","Structures of the natural alkaloids vincadifformine and 8-oxotabersonine","Acta Crystallographica Section C","1993","49","9","1688","1691","10.1107/S0108270193003130","","","0.71069","MoKα","","","0.035","","","0.039","","","","","1.31","1.31","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2016955","8.3184","0.0007","20.2887","0.0015","23.822","0.003","90","","90","","90","","4020.4","0.7","156","2","156","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tetrakis(acetonitrile-κ<i>N</i>)copper(I) tetrafluoridoborate","","- C8 H12 B Cu F4 N4 -","- C8 H12 B Cu F4 N4 -","- C96 H144 B12 Cu12 F48 N48 -","12","3","FG3075","Bats, Jan W.; Kretz, Tonia; Lerner, Hans-Wolfram","A polymorph of tetrakis(acetonitrile-κ<i>N</i>)copper(I) tetrafluoridoborate","Acta Crystallographica Section C","2009","65","2","m94","m96","10.1107/S0108270109001139","","","0.71073","MoKα","","0.0636","0.0512","","","0.1365","0.1419","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016991","5.3777","0.0003","10.0563","0.0007","22.4243","0.0012","90","","90","","90","","1212.7","0.13","273","","273","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-hydroxyquinolinium hydrogen maleate","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","SU3028","Franklin, S.; Balasubramanian, T.","Salts of maleic and fumaric acids with oxine: the role of isomeric acids in hydrogen-bonding patterns","Acta Crystallographica Section C","2009","65","2","o58","o61","10.1107/S0108270108044132","","","0.71073","MoKα","","0.0771","0.053","","","0.121","0.1337","","","","","","1.161","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017003","10.114","0.003","11.289","0.004","21.103","0.009","90","","90","","90","","2409.5","1.5","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Lupulin D","15α-methoxydihydroclerodin","","- C25 H38 O8 -","- C25 H38 O8 -","- C100 H152 O32 -","4","1","FG9000","Molins, Elies; Coll, Josep","Lupulin structures revisited","Acta Crystallographica Section C","2009","65","3","e11","e12","10.1107/S0108270108000309","","","","","","","0.037","","","0.037","","","","","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2017015","6.5828","0.0002","12.3368","0.0005","26.4702","0.001","90","","90","","90","","2149.66","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-oxo-5α-androst-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate","","- C24 H34 N2 O3 -","- C24 H34 N2 O3 -","- C96 H136 N8 O12 -","4","1","SF3097","Ramos Silva, Manuela; Moreira, Vânia M.; Cardoso, Cláudia; Matos Beja, Ana; Salvador, Jorge A. R.","3-Oxoandrosta-4,6-dien-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate and 3-oxo-5α-androst-17β-yl 2-methyl-1<i>H</i>-imidazole-1-carboxylate: C—H···π and π‒π intermolecular interactions","Acta Crystallographica Section C","2009","65","3","o88","o91","10.1107/S0108270109003278","","","0.71073","MoKα","","0.082","0.0458","","","0.1216","0.1435","","","","","","1.009","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017029","5.1896","0.0002","12.1755","0.0004","23.6534","0.0008","90","","90","","90","","1494.56","0.09","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","175-25 no.1","(<i>R</i>~C~,<i>S</i>~P~)-<i>S</i>-methyl <i>P</i>-(3-azidopropyl)-\ <i>N</i>-[(1<i>R</i>)-1-phenylethyl]phosphonamidothioate","","- C12 H19 N4 O P S -","- C12 H19 N4 O P S -","- C48 H76 N16 O4 P4 S4 -","4","1","EM3024","Guo, Lilu; Thompson, Charles M.; Twamley, Brendan","Diastereomers (<i>R</i>~C~,<i>S</i>~P~)- and (<i>R</i>~C~,<i>R</i>~P~)-<i>S</i>-methyl <i>P</i>-(3-azidopropyl)-<i>N</i>-[(1<i>R</i>)-1-phenylethyl]phosphonamidothioate","Acta Crystallographica Section C","2009","65","4","o179","o182","10.1107/S0108270109009792","","","0.71073","MoKα","","0.0286","0.0273","","","0.0638","0.0648","","","","","","0.992","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017030","5.4509","0.0003","12.0987","0.0006","22.2882","0.0011","90","","90","","90","","1469.88","0.13","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","4-161 no.2","(<i>R</i>~C~<i>R</i>~P~)-<i>S</i>-methyl <i>P</i>-(3-azidopropyl)-\ <i>N</i>-[(1<i>R</i>)-1-phenylethyl]phosphonamidothioate","","- C12 H19 N4 O P S -","- C12 H19 N4 O P S -","- C48 H76 N16 O4 P4 S4 -","4","1","EM3024","Guo, Lilu; Thompson, Charles M.; Twamley, Brendan","Diastereomers (<i>R</i>~C~,<i>S</i>~P~)- and (<i>R</i>~C~,<i>R</i>~P~)-<i>S</i>-methyl <i>P</i>-(3-azidopropyl)-<i>N</i>-[(1<i>R</i>)-1-phenylethyl]phosphonamidothioate","Acta Crystallographica Section C","2009","65","4","o179","o182","10.1107/S0108270109009792","","","0.71073","MoKα","","0.0555","0.0412","","","0.0828","0.0891","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017033","6.7658","0.0008","12.978","0.002","13.162","0.002","90","","90","","90","","1155.7","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-(4-fluorophenyl)-3-methylpyrido[2,3-<i>d</i>]pyrimidine- 2,4(1<i>H</i>,3<i>H</i>)-dione","","- C14 H10 F N3 O2 -","- C14 H10 F N3 O2 -","- C56 H40 F4 N12 O8 -","4","1","FA3182","Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Hursthouse, Michael B.; Glidewell, Christopher","Four 7-aryl-substituted pyrido[2,3-<i>d</i>]pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-diones: similar molecular structures but different crystal structures","Acta Crystallographica Section C","2009","65","4","o134","o139","10.1107/S0108270109005514","","","0.71073","MoKα","","0.1472","0.0641","","","0.1266","0.1552","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017047","4.2946","0.0005","13.8755","0.0016","14.2541","0.0019","90","","90","","90","","849.4","0.18","173","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2,6-Dibromophenyl)formamide","","- C7 H5 Br2 N O -","- C7 H5 Br2 N O -","- C28 H20 Br8 N4 O4 -","4","1","GD3278","Omondi, Bernard; Levendis, Demetrius C.; Layh, Marcus; Fernandes, Manuel A.","<i>N</i>-(2,6-Dibromophenyl)formamide","Acta Crystallographica Section C","2009","65","4","o160","o162","10.1107/S010827010900780X","","","0.71073","MoKα","","","0.0269","","","","0.0595","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017050","6.7203","0.0016","9.286","0.002","21.972","0.005","90","","90","","90","","1371.2","0.5","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,3:4,6-di-<i>O</i>-isopropylidene-α-L-sorbofuranose","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","GG3193","Langer, Vratislav; Steiner, Bohumil; Koóš, Miroslav","2,3:4,6-Di-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose and 2,3-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose","Acta Crystallographica Section C","2009","65","4","o151","o154","10.1107/S0108270109008294","","","0.71073","MoKα","","0.0504","0.037","","","0.0895","0.0978","","","","","","1","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017051","6.7321","0.0003","9.1945","0.0005","17.0658","0.0009","90","","90","","90","","1056.34","0.09","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,3-<i>O</i>-isopropylidene-α-L-sorbofuranose","","- C9 H16 O6 -","- C9 H16 O6 -","- C36 H64 O24 -","4","1","GG3193","Langer, Vratislav; Steiner, Bohumil; Koóš, Miroslav","2,3:4,6-Di-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose and 2,3-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose","Acta Crystallographica Section C","2009","65","4","o151","o154","10.1107/S0108270109008294","","","0.71073","MoKα","","0.0369","0.0309","","","0.0789","0.0822","","","","","","0.999","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017073","6.1411","0.0001","12.7415","0.0003","21.6714","0.0005","90","","90","","90","","1695.72","0.06","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3b<i>R</i>,5a<i>R</i>,6<i>S</i>,7<i>S</i>,9a<i>R</i>,9b<i>R</i>)-7-hydroxy- 6-hydroxymethyl-3b,6,9a-trimethyl-3b,5,5a,6,7,9,9a,9b,10,11- decahydrophenanthro[1,2-<i>c</i>]furan-8(4<i>H</i>)-one","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","SQ3189","Yong, Ken W. L.; Garson, Mary J.; Bernhardt, Paul V.","Absolute structures and conformations of the spongian diterpenes spongia-13(16),14-dien-3-one, epispongiadiol and spongiadiol","Acta Crystallographica Section C","2009","65","4","o167","o170","10.1107/S0108270109008816","","","1.5418","CuKα","","0.0608","0.0561","","","0.1515","0.1552","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017075","14.027","0.0008","19.6354","0.001","26.2445","0.0012","90","","90","","90","","7228.4","0.6","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,7α,11β-triacetoxycucurbit-5(10)-ene","","- C36 H58 O6 -","- C36 H58 O6 -","- C288 H464 O48 -","8","2","BM3076","Kubicki, Maciej; Koenig, Hanna; Paryzek, Zdzisław","Two isomeric cucurbitane derivatives","Acta Crystallographica Section C","2009","65","5","o253","o256","10.1107/S0108270109014528","","","0.71073","MoKα","","0.0825","0.052","","","0.1369","0.1471","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017076","9.0958","0.0009","14.851","0.0016","25.526","0.002","90","","90","","90","","3448.1","0.6","190","1","190","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,7α,11β-triacetoxy-5α-cucurbit-1(10)-ene","","- C36 H58 O6 -","- C36 H58 O6 -","- C144 H232 O24 -","4","1","BM3076","Kubicki, Maciej; Koenig, Hanna; Paryzek, Zdzisław","Two isomeric cucurbitane derivatives","Acta Crystallographica Section C","2009","65","5","o253","o256","10.1107/S0108270109014528","","","0.71073","MoKα","","0.1284","0.0545","","","0.0709","0.0782","","","","","","0.987","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017077","14.48","0.0012","19.8818","0.0013","26.882","0.002","90","","90","","90","","7739","1","295","2","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H58 O6 -","- C36 H58 O6 -","- C288 H464 O48 -","8","2","BM3076","Kubicki, Maciej; Koenig, Hanna; Paryzek, Zdzisław","Two isomeric cucurbitane derivatives","Acta Crystallographica Section C","2009","65","5","o253","o256","10.1107/S0108270109014528","","","0.71073","MoKα","","0.1851","0.0953","","","0.247","0.2757","","","","","","1.005","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017078","9.0756","0.0007","14.9566","0.0017","26.008","0.002","90","","90","","90","","3530.3","0.6","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H58 O6 -","- C36 H58 O6 -","- C144 H232 O24 -","4","1","BM3076","Kubicki, Maciej; Koenig, Hanna; Paryzek, Zdzisław","Two isomeric cucurbitane derivatives","Acta Crystallographica Section C","2009","65","5","o253","o256","10.1107/S0108270109014528","","","0.71073","MoKα","","0.1128","0.0509","","","0.1129","0.1263","","","","","","0.89","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2017119","5.8903","0.0002","9.6929","0.0002","36.9988","0.0008","90","","90","","90","","2112.41","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6β-Hydroxy-5β-methyl-20-oxo-19-norpregn-9(10)-en-3β-yl acetate","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","SK3302","Pinto, R. M. A.; Ramos Silva, M.; Matos Beja, A.; Salvador, J. A. R.; Paixão, J. A.","6β-Hydroxy-5β-methyl-20-oxo-19-norpregn-9(10)-en-3β-yl acetate","Acta Crystallographica Section C","2009","65","5","o214","o216","10.1107/S0108270109010233","","","0.71073","MoKα","","0.0623","0.044","","","0.1211","0.1331","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017125","8.2797","0.0017","12.741","0.002","13.371","0.002","90","","90","","90","","1410.5","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","pyridinium dichromate","dipyridinium dichromate(VI)","","- C10 H12 Cr2 N2 O7 -","- C10 H12 Cr2 N2 O7 -","- C40 H48 Cr8 N8 O28 -","4","1","SU3032","Lennartson, Anders; Håkansson, Mikael","Dipyridinium dichromate: an achiral compound forming chiral crystals","Acta Crystallographica Section C","2009","65","5","m182","m184","10.1107/S0108270109011469","","","0.71073","MoKα","","0.0278","0.0259","","","0.0621","0.0628","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017136","6.764","0.0003","13.1193","0.0006","23.9936","0.0009","90","","90","","90","","2129.17","0.16","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-acetylresorcinol","1-(2,4-dihydroxyphenyl)ethanone","","- C8 H8 O3 -","- C8 H8 O3 -","- C96 H96 O36 -","12","3","GD3292","Jones, Peter G.; Mangalagiu, Ionel I.","Concomitant polymorphism and conformational isomerism in 4-acetylresorcinol","Acta Crystallographica Section C","2009","65","6","o300","o302","10.1107/S0108270109017715","","","1.54184","CuKα","","0.0326","0.0303","","","0.0808","0.0828","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017142","4.7869","0.0007","9.9558","0.0015","28.423","0.004","90","","90","","90","","1354.6","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Phenylalanine‒D-2-aminobutyric acid (1/1)","L-Phenylalanine‒D-2-ammoniobutyrate (1/1)","","- C13 H20 N2 O4 -","- C13 H20 N2 O4 -","- C52 H80 N8 O16 -","4","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0482","0.042","","","0.1163","0.12","","","","","","1.066","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017143","4.7624","0.0008","9.9569","0.0017","30.935","0.006","90","","90","","90","","1466.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Phenylalanine‒D-norvaline (1/1)","","- C14 H22 N2 O4 -","- C14 H22 N2 O4 -","- C56 H88 N8 O16 -","4","1","SK3316","Görbitz, Carl Henrik; Rissanen, Kari; Valkonen, Arto; Husabø, Åsmund","Molecular aggregation in selected crystalline 1:1 complexes of hydrophobic <small>D</small>- and <small>L</small>-amino acids. IV. The <small>L</small>-phenylalanine series","Acta Crystallographica Section C","2009","65","6","o267","o272","10.1107/S0108270109014309","","","0.71073","MoKα","","0.0472","0.0401","","","0.0901","0.0925","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017166","6.1303","0.0002","11.3207","0.0005","18.357","0.0005","90","","90","","90","","1273.96","0.08","108","","108","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-methylpiperazinium (2<i>S</i>,3<i>S</i>)-tartrate dihydrate","","- C9 H22 N2 O8 -","- C9 H22 N2 O8 -","- C36 H88 N8 O32 -","4","1","EG3019","Katagiri, Hiroshi; Morimoto, Masao; Sakai, Kenichi","A pair of diastereomeric 1:1 salts of (<i>S</i>)- and (<i>R</i>)-2-methylpiperazine with (2<i>S</i>,3<i>S</i>)-tartaric acid","Acta Crystallographica Section C","2009","65","7","o357","o360","10.1107/S0108270109024093","","","0.71075","MoKα","","0.0222","0.0217","","","0.0592","0.0595","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017184","14.3816","0.0002","14.7626","0.0002","20.1025","0.0003","90","","90","","90","","4267.96","0.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methoxy-3-methyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-D-xylopyranosylamino)- 1,6-dihydropyrimidine-5-carbaldehyde 0.065-hydrate","","- C18 H23.13 N3 O10.065 -","- C18 H23.13 N3 O10.065 -","- C144 H185.04 N24 O80.52 -","8","2","GG3202","Cobo, Justo; Nogueras, Manuel; de la Torre, José M.; Glidewell, Christopher","2-Methoxy-3-methyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosylamino)-1,6-dihydropyrimidine-5-carbaldehyde 0.065-hydrate and 2-methylsulfanyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosylamino)-1,6-dihydropyrimidine-5-carbaldehyde: hydrogen-bonded structures in one or three dimensions","Acta Crystallographica Section C","2009","65","7","o321","o325","10.1107/S0108270109019374","","","0.71073","MoKα","","0.0382","0.0329","","","0.0854","0.088","","","","","","1.076","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017185","6.9294","0.0001","10.7415","0.0002","26.4825","0.0005","90","","90","","90","","1971.15","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,6-dihydropyrimidine-5-carbaldehyde","","- C17 H21 N3 O9 S -","- C17 H21 N3 O9 S -","- C68 H84 N12 O36 S4 -","4","1","GG3202","Cobo, Justo; Nogueras, Manuel; de la Torre, José M.; Glidewell, Christopher","2-Methoxy-3-methyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosylamino)-1,6-dihydropyrimidine-5-carbaldehyde 0.065-hydrate and 2-methylsulfanyl-6-oxo-4-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosylamino)-1,6-dihydropyrimidine-5-carbaldehyde: hydrogen-bonded structures in one or three dimensions","Acta Crystallographica Section C","2009","65","7","o321","o325","10.1107/S0108270109019374","","","0.71073","MoKα","","0.0432","0.0377","","","0.0933","0.0964","","","","","","1.136","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017209","7.9552","0.0013","11.674","0.0019","14.05","0.002","90","","90","","90","","1304.8","0.4","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-poly[[[aquacopper(II)]-μ-3-(2-pyridylmethyleneamino)propanoato- κ^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>'] perchlorate]","","- C9 H11 Cl Cu N2 O7 -","- C9 H11 Cl Cu N2 O7 -","- C36 H44 Cl4 Cu4 N8 O28 -","4","1","BM3081","Shi, Wen-Juan","The chiral helical structure of a copper(II) complex with a tridentate Schiff base ligand","Acta Crystallographica Section C","2009","65","8","m284","m286","10.1107/S010827010902575X","","","0.71073","MoKα","","0.064","0.054","","","0.1222","0.1289","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017216","6.986","0.004","15.553","0.009","20.06","0.012","90","","90","","90","","2180","2","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2-(methylsulfanyl)phenyl](triphenylphosphine)gold(I)","","- C25 H22 Au P S -","- C25 H22 Au P S -","- C100 H88 Au4 P4 S4 -","4","1","FA3184","Melgarejo, Doris Y.; Chiarella, Gina M.; Fackler, Jr, John P.","A monomeric gold(I) carbanion complex with an uncoordinated thioether: [2-(methylsulfanyl)phenyl](triphenylphosphine)gold(I)","Acta Crystallographica Section C","2009","65","8","m299","m301","10.1107/S0108270109017831","","","0.71073","MoKα","","0.0461","0.0419","","","0.0954","0.0985","","","","","","1.047","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017273","8.7606","0.0007","11.8494","0.001","17.0002","0.0012","90","","90","","90","","1764.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(<i>R</i>)-2-chloro-3-quinolyl]-2-[(<i>R</i>)-1-(4- methoxyphenyl)ethylamino]acetonitrile","","- C20 H18 Cl N3 O -","- C20 H18 Cl N3 O -","- C80 H72 Cl4 N12 O4 -","4","1","DN3121","Ladraa, Souheila; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","The diastereoisomers 2-[(<i>S</i>/<i>R</i>)-2-chloro-3-quinolyl]-2-[(<i>R</i>)-1-(4-methoxyphenyl)ethylamino]acetonitrile at 100K","Acta Crystallographica Section C","2009","65","9","o475","o478","10.1107/S010827010903193X","","","0.71073","MoKα","","","0.0315","","","","0.0786","","","","","","1.034","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017387","8.5024","0.0004","11.948","0.0005","17.6485","0.0007","90","","90","","90","","1792.85","0.13","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-{2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}- 2-methylpropan-2-ol","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C84 H108 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0436","0.0353","","","0.0807","0.0833","","","","","","1.026","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017389","8.6781","0.0005","12.8084","0.0007","14.5243","0.0008","90","","90","","90","","1614.41","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(2-hydroxy-2-methylpropyl)(1-phenylethyl)amino]- 2-methylpropan-2-ol","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0563","0.0414","","","0.0905","0.0954","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017390","8.9681","0.0008","12.5151","0.0011","16.396","0.0014","90","","90","","90","","1840.2","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(2-Hydroxy-2-phenylethyl)(1-phenylethyl)amino]- 2-methylpropan-2-ol","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","GD3304","Churakov, Andrei V.; Lermontova, Elmira Kh.; Zaitsev, Kirill V.; Huang, Mengmeng; Karlov, Sergey S.; Zaitseva, Galina S.; Howard, Judith A. K.","Crystal packing in the structures of diethanolamine derivatives","Acta Crystallographica Section C","2009","65","11","o587","o592","10.1107/S0108270109036749","","","0.71073","MoKα","","0.0519","0.0402","","","0.0833","0.0864","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017393","4.8894","0.001","12.404","0.003","13.096","0.003","90","","90","","90","","794.2","0.3","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-amino-1-naphthol","5-amino-1-naphthol","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","GD3309","Rozycka-Sokolowska, Ewa; Marciniak, Bernard","5-Amino-1-naphthol: two-dimensional sheets built up from <i>R</i>~4~^4^(18) rings formed by O—H···N, N—H···O and π‒π interactions","Acta Crystallographica Section C","2009","65","11","o565","o568","10.1107/S0108270109038694","","","0.71073","MoKα","","0.1429","0.0509","","","0.0469","0.0591","","","","","","0.893","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017412","7.2696","0.0005","10.7776","0.0007","12.0288","0.0008","90","","90","","90","","942.44","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Iodocymantrene","Tricarbonyl(η^5^-1-iodocyclopentadienyl)manganese(I)","","- C8 H4 I Mn O3 -","- C8 H4 I Mn O3 -","- C32 H16 I4 Mn4 O12 -","4","1","SQ3211","Romanov, Alexander S.; Mulroy, Joseph M.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Insight into the structures of [<i>M</i>(C~5~H~4~I)(CO)~3~] and [<i>M</i>~2~(C~12~H~8~)(CO)~6~] (<i>M</i> = Mn and Re) containing strong I···O and π(CO)‒π(CO) interactions","Acta Crystallographica Section C","2009","65","11","m431","m435","10.1107/S0108270109035902","","","0.71073","MoKα","","0.0221","0.02","","","0.0466","0.0476","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017414","7.4117","0.0014","10.922","0.002","11.987","0.002","90","","90","","90","","970.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl(η^5^-1-iodocyclopentadienyl)rhenium(I)","","- C8 H4 I O3 Re -","- C8 H4 I O3 Re -","- C32 H16 I4 O12 Re4 -","4","1","SQ3211","Romanov, Alexander S.; Mulroy, Joseph M.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","Insight into the structures of [<i>M</i>(C~5~H~4~I)(CO)~3~] and [<i>M</i>~2~(C~12~H~8~)(CO)~6~] (<i>M</i> = Mn and Re) containing strong I···O and π(CO)‒π(CO) interactions","Acta Crystallographica Section C","2009","65","11","m431","m435","10.1107/S0108270109035902","","","0.71073","MoKα","","0.0194","0.0184","","","0.0408","0.0411","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017433","11.687","0.002","12.849","0.003","31.547","0.006","90","","90","","90","","4737.3","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7<i>S</i>)-<i>N</i>-[4-(4-tolyl)tricyclo[4.2.1.0^2,5^]non-3-ene-3-carbonyl]- 2,10-camphorsultam","","- C27 H33 N O3 S -","- C27 H33 N O3 S -","- C216 H264 N8 O24 S8 -","8","2","GA3134","Goodreid, Jordan D.; Jennings, Michael C.; Tam, William","Asymmetric ruthenium-catalysed [2+2] cycloadditions between bicyclic alkenes and chiral aryl-substituted acetylenic acyl camphorsultam alkynes","Acta Crystallographica Section C","2009","65","12","o649","o652","10.1107/S0108270109045284","","","0.71073","MoKα","","0.063","0.0414","","","0.0872","0.0955","","","","","","1.032","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017464","7.5571","0.0002","7.7903","0.0003","29.8324","0.0008","90","","90","","90","","1756.3","0.09","108","","108","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-methylpiperazinediium bis[hydrogen (2<i>S</i>,3<i>S</i>)-tartrate] monohydrate","","- C13 H26 N2 O13 -","- C13 H26 N2 O13 -","- C52 H104 N8 O52 -","4","1","EG3031","Katagiri, Hiroshi; Morimoto, Masao; Sakai, Kenichi","A pair of diastereomeric 1:2 salts of (<i>R</i>)- and (<i>S</i>)-2-methylpiperazine with (2<i>S</i>,3<i>S</i>)-tartaric acid","Acta Crystallographica Section C","2010","66","1","o20","o24","10.1107/S0108270109046460","","","0.71075","MoKα","","0.0257","0.0249","","","0.0619","0.0622","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017465","7.6062","0.0003","7.6426","0.0003","30.3987","0.0011","90","","90","","90","","1767.11","0.12","103","","103","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-methylpiperazinediium bis[hydrogen (2<i>S</i>,3<i>S</i>)-tartrate] monohydrate","","- C13 H26 N2 O13 -","- C13 H26 N2 O13 -","- C52 H104 N8 O52 -","4","1","EG3031","Katagiri, Hiroshi; Morimoto, Masao; Sakai, Kenichi","A pair of diastereomeric 1:2 salts of (<i>R</i>)- and (<i>S</i>)-2-methylpiperazine with (2<i>S</i>,3<i>S</i>)-tartaric acid","Acta Crystallographica Section C","2010","66","1","o20","o24","10.1107/S0108270109046460","","","0.71075","MoKα","","0.0369","0.0347","","","0.0868","0.0878","","","","","","1.068","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017486","7.3073","0.0012","12.1065","0.0013","14.541","0.002","90","","90","","90","","1286.4","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-aminopyridinium hydrogen L-tartrate dihydrate","3-aminopyridinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate dihydrate","","- C9 H16 N2 O8 -","- C9 H16 N2 O8 -","- C36 H64 N8 O32 -","4","1","SF3121","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of <small>L</small>-tartaric acid with the associative-group monosubstituted pyridines 3-aminopyridine, 3-carboxypyridine (nicotinic acid) and 2-carboxypyridine (picolinic acid)","Acta Crystallographica Section C","2010","66","1","o5","o10","10.1107/S0108270109049154","","","0.71073","MoKα","","0.0485","0.0386","","","0.0942","0.0978","","","","","","1.021","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017487","6.5792","0.0002","7.7637","0.0002","21.683","0.0005","90","","90","","90","","1107.54","0.05","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nicotinic acid hydrogen L-tartrate","3-carboxypyridinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate","","- C10 H11 N O8 -","- C10 H11 N O8 -","- C40 H44 N4 O32 -","4","1","SF3121","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of <small>L</small>-tartaric acid with the associative-group monosubstituted pyridines 3-aminopyridine, 3-carboxypyridine (nicotinic acid) and 2-carboxypyridine (picolinic acid)","Acta Crystallographica Section C","2010","66","1","o5","o10","10.1107/S0108270109049154","","","0.71073","MoKα","","0.0377","0.0294","","","0.0644","0.0662","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017488","7.1536","0.0004","7.8273","0.0003","22.0145","0.001","90","","90","","90","","1232.67","0.1","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","picolinic acid hydrogen L-tartrate monohydrate","2-carboxypyridinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate monohydrate","","- C10 H13 N O9 -","- C10 H13 N O9 -","- C40 H52 N4 O36 -","4","1","SF3121","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of <small>L</small>-tartaric acid with the associative-group monosubstituted pyridines 3-aminopyridine, 3-carboxypyridine (nicotinic acid) and 2-carboxypyridine (picolinic acid)","Acta Crystallographica Section C","2010","66","1","o5","o10","10.1107/S0108270109049154","","","0.71073","MoKα","","0.0608","0.047","","","0.1021","0.1067","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017490","9.2153","0.0016","15.299","0.003","51.544","0.008","90","","90","","90","","7267","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Hydronium tetrakis[(1<i>R</i>,2<i>R</i>,3<i>S</i>,5<i>S</i>,8<i>S</i>)- 3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate] pentakis[tetrachloridoaurate(III)] hexahydrate","","- C36 H79 Au5 Cl20 N4 O19 -","- C36 H59 Au5 Cl20 N4 O19 -","- C144 H236 Au20 Cl80 N16 O76 -","4","1","SQ3203","Wood, Matthew R.; Thompson, Hugh W.; Brettell, Thomas A.; Lalancette, Roger A.","The hydrated and anhydrous gold(III) tetrachloride salts of <small>L</small>-ecgonine, an important forensic toxicology marker for cocaine","Acta Crystallographica Section C","2010","66","1","m4","m8","10.1107/S0108270109030583","","","1.54178","CuKα","","0.041","0.04","","","0.098","0.099","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017491","10.0276","0.0001","15.7339","0.0002","18.6416","0.0002","90","","90","","90","","2941.15","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>R</i>,3<i>S</i>,5<i>S</i>,8<i>S</i>)-3-hydroxy-8-methyl-8- azoniabicyclo[3.2.1]octane-2-carboxylate tetrachloridoaurate(III)","","- C9 H16 Au Cl4 N O3 -","- C9 H16 Au Cl4 N O3 -","- C72 H128 Au8 Cl32 N8 O24 -","8","2","SQ3203","Wood, Matthew R.; Thompson, Hugh W.; Brettell, Thomas A.; Lalancette, Roger A.","The hydrated and anhydrous gold(III) tetrachloride salts of <small>L</small>-ecgonine, an important forensic toxicology marker for cocaine","Acta Crystallographica Section C","2010","66","1","m4","m8","10.1107/S0108270109030583","","","1.54178","CuKα","","0.019","0.018","","","0.046","0.047","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017522","9.963","0.0016","10.6998","0.0017","26.324","0.004","90","","90","","90","","2806.2","0.8","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>R</i>)-2-(<i>N</i>-{(1<i>S</i>,2<i>S</i>)-2-chloro-1- [(3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>R</i>)-3,4,5-trihydroxy-6- (methylsulfanyl)perhydropyran-2-yl]propyl}aminocarbonyl)-4-propylpyrrolidinium chloride monohydrate ethanol solvate","","- C20 H42 Cl2 N2 O7 S -","- C20 H42 Cl2 N2 O7 S -","- C80 H168 Cl8 N8 O28 S4 -","4","1","SF3125","Ravikumar, Krishnan; Sridhar, Balasubramanian","Clindamycin hydrochloride monohydrate and its ethanol solvate","Acta Crystallographica Section C","2010","66","2","o97","o100","10.1107/S0108270110000958","","","0.71073","MoKα","","0.0518","0.0497","","","0.1173","0.1186","","","","","","1.184","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017602","5.5214","0.0003","10.2982","0.0012","22.9","0.003","90","","90","","90","","1302.1","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-bromo-2-exo-phenyl-2,3,4,5-tetrahydro-1<i>H</i>-1,4- epoxy-1-benzazepine","","- C16 H14 Br N O -","- C16 H14 Br N O -","- C64 H56 Br4 N4 O4 -","4","1","FA3218","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Five 2-aryl-substituted tetrahydro-1,4-epoxy-1-benzazepines: isolated molecules and hydrogen-bonded chains and sheets","Acta Crystallographica Section C","2010","66","4","o233","o240","10.1107/S0108270110009662","","","0.71073","MoKα","","0.0458","0.0324","","","0.0598","0.0639","","","","","","1.07","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017608","9.3001","0.0004","11.2399","0.0005","15.101","0.0006","90","","90","","90","","1578.54","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tricaesium calcium iron bis(diphosphate)","","- Ca Cs3 Fe O14 P4 -","- Ca Cs3 Fe O14 P4 -","- Ca4 Cs12 Fe4 O56 P16 -","4","1","FN3046","Strutynska, Nataliya Yu.; Baumer, Vyacheslav N.; Zatovsky, Igor V.; Babaryk, Artem A.; Slobodyanik, Nikolay S.","The triple pyrophosphate Cs~3~CaFe(P~2~O~7~)~2~","Acta Crystallographica Section C","2010","66","4","i39","i41","10.1107/S0108270110007195","","","0.71073","MoKα","","0.0489","0.0357","","","0.061","0.0685","","","","","","0.971","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017612","4.793","0.003","11.365","0.007","36.79","0.02","90","","90","","90","","2004","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(β-D-Erythrofuranosyl)adenosine","","- C9 H11 N5 O3 -","- C9 H11 N5 O3 -","- C72 H88 N40 O24 -","8","2","GT3016","Kline, Paul C.; Zhao, Hongqiu; Noll, Bruce C.; Oliver, Allen G.; Serianni, Anthony S.","1-(β-<small>D</small>-Erythrofuranosyl)adenosine","Acta Crystallographica Section C","2010","66","4","o215","o218","10.1107/S0108270110008024","","","0.7749","synchrotron","","0.0546","0.0472","","","0.1206","0.1258","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017613","6.9634","0.0011","9.3732","0.0014","10.9416","0.0017","90","","90","","90","","714.15","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-pyrazol-1-ylethylammonium chloride","","- C5 H10 Cl N3 -","- C5 H10 Cl N3 -","- C20 H40 Cl4 N12 -","4","1","KU3022","Guzei, Ilia A.; Spencer, Lara C.; Ainooson, Michael K.; Darkwa, James","Constructor graph description of the hydrogen-bonding supramolecular assembly in two ionic compounds: 2-(pyrazol-1-yl)ethylammonium chloride and diaquadichloridobis(2-hydroxyethylammonium)cobalt(II) dichloride","Acta Crystallographica Section C","2010","66","4","m89","m96","10.1107/S010827011000572X","","","0.71073","Mo-Kα","","0.023","0.0224","","","0.0592","0.0598","","","","","","1.065","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017621","5.1661","0.0001","10.3981","0.0002","18.2979","0.0003","90","","90","","90","","982.92","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>L</i>-Cysteinylhydroquinone","(2<i>R</i>)-<i>S</i>-(2,5-dihydroxyphenyl)cysteine","","- C9 H11 N O4 S -","- C9 H11 N O4 S -","- C36 H44 N4 O16 S4 -","4","1","MX3028","Kociok-Köhn, Gabriele; Lewis, Simon E.","Crystallographic rationalization of the reactivity and spectroscopic properties of (2<i>R</i>)-<i>S</i>-(2,5-dihydroxyphenyl)cysteine","Acta Crystallographica Section C","2010","66","4","o187","o189","10.1107/S0108270110005780","","","0.71073","MoKα","","0.0449","0.0337","","","0.072","0.0767","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017652","8.2228","0.0003","8.3506","0.0002","28.7043","0.001","90","","90","","90","","1970.99","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>^2^-{4-[(<i>E</i>)-2-(4-Chlorobenzoyl)ethenyl]-3-methyl- 1-phenyl-1<i>H</i>-pyrazol-5-yl}-<i>N</i>^1^,<i>N</i>^1^-dimethylformamidine","","- C22 H21 Cl N4 O -","- C22 H21 Cl N4 O -","- C88 H84 Cl4 N16 O4 -","4","1","GG3232","Quiroga, Jairo; Trilleras, Jorge; Hursthouse, Michael B.; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-<i>N</i>^2^-{4-[(<i>E</i>)-2-(4-Chlorobenzoyl)ethenyl]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl}-<i>N</i>^1^,<i>N</i>^1^-dimethylformamidine: polarized molecules within sheets of π-stacked hydrogen-bonded chains","Acta Crystallographica Section C","2010","66","5","o245","o248","10.1107/S0108270110012023","","","0.71073","MoKα","","0.0897","0.0555","","","0.1185","0.1341","","","","","","1.05","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017662","6.0741","0.0007","13.8336","0.0016","26.076","0.003","90","","90","","90","","2191.1","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,5'<i>S</i>)-5'-benzyl-5-bromo-6-methoxyspiro[indane-2,2'- piperazine]-3',6'-dione dimethylformamide solvate","","- C23 H26 Br N3 O4 -","- C23 H26 Br N3 O4 -","- C92 H104 Br4 N12 O16 -","4","1","EG3048","Nichol, Gary S.; Murigi, Francis N.; Mash, Eugene A.","A synchrotron study of (2<i>R</i>,5'<i>S</i>)-5'-benzyl-5-bromo-6-methoxyspiro[indane-2,2'-piperazine]-3',6'-dione dimethylformamide solvate","Acta Crystallographica Section C","2010","66","6","o302","o304","10.1107/S0108270110017579","","","0.7749","synchrotron","","0.043","0.0336","","0.0733","0.0661","0.0733","","","","","","0.9978","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2017670","7.009","0.0002","10.504","0.0003","25.562","0.0009","90","","90","","90","","1881.94","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(3,4-Dimethoxybenzyl)-7-isopropyl-1,3,5-triazepane-2,6-dione acetonitrile solvate","","- C18 H26 N4 O4 -","- C18 H26 N4 O4 -","- C72 H104 N16 O16 -","4","1","GD3337","Ejsmont, Krzysztof; Boeglin, Joel; Didierjean, Claude; Guichard, Gilles; Jelsch, Christian","5-(3,4-Dimethoxybenzyl)-7-isopropyl-1,3,5-triazepane-2,6-dione acetonitrile solvate refined using a multipolar atom model","Acta Crystallographica Section C","2010","66","6","o292","o294","10.1107/S0108270110016331","","","0.71073","MoKα","","0.048","0.0359","","","0.0253","0.0266","","","","","","1.651","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017673","9.0996","0.001","11.2154","0.0012","23.974","0.003","90","","90","","90","","2446.7","0.5","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-[2-(2,6-Diisopropylanilino)-1-naphthyl]isoquinoline","","- C31 H30 N2 -","- C31 H30 N2 -","- C124 H120 N8 -","4","1","GD3345","Howard, Ruth H.; Theobald, Nicola; Bochmann, Manfred; Wright, Joseph A.","1-[2-(2,6-Diisopropylanilino)-1-naphthyl]isoquinoline","Acta Crystallographica Section C","2010","66","6","o310","o312","10.1107/S0108270110018433","","","0.71073","MoKα","","0.1121","0.0557","","","0.0871","0.1012","","","","","","0.947","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017685","5.1127","0.0005","17.8516","0.0016","17.8746","0.0001","90","","90","","90","","1631.4","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Safinamide","(2<i>S</i>)-2-[4-(3-fluorobenzyloxy)benzylamino]propionamide","","- C17 H19 F N2 O2 -","- C17 H19 F N2 O2 -","- C68 H76 F4 N8 O8 -","4","1","SF3130","Ravikumar, Krishnan; Sridhar, Balasubramanian","Two polymorphs of safinamide, a selective and reversible inhibitor of monoamine oxidase B","Acta Crystallographica Section C","2010","66","6","o317","o320","10.1107/S0108270110019384","","","0.71073","MoKα","","0.0731","0.0423","","","0.0943","0.1134","","","","","","0.968","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017686","6.6297","0.0009","8.1015","0.0012","29.268","0.004","90","","90","","90","","1572","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Safinamide","2(S)-[4-(3-Fluorobenzyloxy) benzylamino] propionamide","","- C17 H19 F N2 O2 -","- C17 H19 F N2 O2 -","- C68 H76 F4 N8 O8 -","4","1","SF3130","Ravikumar, Krishnan; Sridhar, Balasubramanian","Two polymorphs of safinamide, a selective and reversible inhibitor of monoamine oxidase B","Acta Crystallographica Section C","2010","66","6","o317","o320","10.1107/S0108270110019384","","","0.71073","MoKα","","0.0448","0.0431","","","0.1199","0.1213","","","","","","1.218","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017714","5.94606","0.00019","15.8898","0.0005","21.3765","0.0006","90","","90","","90","","2019.69","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ezetimibe anhydrate","(3<i>R</i>,4<i>S</i>)-1-(4-fluorophenyl)-3-[(3<i>S</i>)-3-(4-fluorophenyl)- 3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one","","- C24 H21 F2 N O3 -","- C24 H21 F2 N O3 -","- C96 H84 F8 N4 O12 -","4","1","GT3018","Brüning, Jürgen; Alig, Edith; Schmidt, Martin U.","Ezetimibe anhydrate, determined from laboratory powder diffraction data","Acta Crystallographica Section C","2010","66","7","o341","o344","10.1107/S0108270110019190","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.161","","","","","","","has coordinates,has Fobs","203904","2020-10-21","18:00:00",""
"2017715","4.7855","0.0004","18.2887","0.0015","31.247","0.003","90","","90","","90","","2734.8","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Isoleucyl-L-asparagine","","- C10 H21.188 N3 O5.094 -","- C10 H21.188 N3 O5.094 -","- C80 H169.504 N24 O40.752 -","8","2","JZ3182","Görbitz, Carl Henrik; Backe, Paul Hoff","<small>L</small>-Isoleucyl-<small>L</small>-asparagine 1.094-hydrate: a hybrid hydrogen-bonding pattern","Acta Crystallographica Section C","2010","66","7","o349","o352","10.1107/S0108270110020895","","","0.71073","MoKα","","0.0725","0.0432","","","0.0928","0.1043","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017729","9.134","0.003","9.862","0.003","27.81","0.008","90","","90","","90","","2505.1","1.3","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","18-Crown-6 propane-1,3-diaminium tetrachlorozincate(II) clathrate","propane-1,3-diaminium tetrachloridozincate(II)‒ 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C15 H36 Cl4 N2 O6 Zn -","- C15 H36 Cl4 N2 O6 Zn -","- C60 H144 Cl16 N8 O24 Zn4 -","4","1","SQ3249","Zhao, Min Min; Qu, Zhi Rong","Propane-1,3-diaminium tetrachloridozincate(II) 18-crown-6 clathrate","Acta Crystallographica Section C","2010","66","7","m188","m190","10.1107/S0108270110022201","","","0.71073","MoKα","","0.0328","0.029","","","0.0785","0.0952","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017732","7.2094","0.0005","7.429","0.0004","23.585","0.013","90","","90","","90","","1263.2","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","quinoxaline‒2,3,5,6-tetrafluorobenzene-1,4-diol (1/1)","","- C14 H8 F4 N2 O2 -","- C14 H8 F4 N2 O2 -","- C56 H32 F16 N8 O8 -","4","1","SU3047","Czapik, Agnieszka; Gdaniec, Maria","Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds","Acta Crystallographica Section C","2010","66","7","o356","o360","10.1107/S0108270110021736","","","0.71073","MoKα","","0.0332","0.0306","","","0.0817","0.0837","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017740","7.94437","0.00007","11.71472","0.00017","16.82348","0.00012","90","","90","","90","","1565.7","0.03","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-2-[(2-Hydroxypropanoyl)oxy]propanoic acid","","- C6 H10 O5 -","- C6 H10 O5 -","- C48 H80 O40 -","8","2","BM3098","Lutz, Martin; van Krieken, Jan","(<i>S</i>,<i>S</i>)-Lactoyllactic acid and (<i>S</i>,<i>S</i>,<i>S</i>)-lactoyllactoyllactic acid","Acta Crystallographica Section C","2010","66","8","o401","o405","10.1107/S0108270110026193","","","0.71073","MoKα","","0.0283","0.0264","","","0.0747","0.0763","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2017751","7.8078","0.0007","11.2328","0.001","23.639","0.002","90","","90","","90","","2073.2","0.3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(1<i>R</i>,3<i>R</i>,4<i>S</i>)-1-Benzyl-3-(<i>tert</i>-butyldimethylsilyloxy)-4-(hydroxymethyl)pyrrolidine‒borane","","- C18 H34 B N O2 Si -","- C18 H34 B N O2 Si -","- C72 H136 B4 N4 O8 Si4 -","4","1","GD3351","Gainsford, Graeme J.; Luxenburger, Andreas; Woolhouse, Anthony D.","(1<i>R</i>,3<i>R</i>,4<i>S</i>)-1-Benzyl-3-(<i>tert</i>-butyldimethylsilyloxy)-4-(hydroxymethyl)pyrrolidine‒borane: novel B—H···H—O hydrogen bonding","Acta Crystallographica Section C","2010","66","8","o418","o420","10.1107/S0108270110026879","","","0.71073","MoKα","","0.0565","0.0491","","","0.1262","0.1336","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017767","8.863","0.004","16.408","0.007","18.806","0.008","90","","90","","90","","2735","2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-methoxyanilinium tetrafluoroborate‒2,5,8,15,18,21- hexaoxatricyclo[20.4.0.0^9,14^]hexacosa-1(26),9,11,13,22,24-hexaene (1/1)","","- C27 H34 B F4 N O7 -","- C27 H34 B F4 N O7 -","- C108 H136 B4 F16 N4 O28 -","4","1","SQ3254","Fu, Xue-qun; Yang, Yong-le; Ye, Qiong","4-Methoxyanilinium tetrafluoroborate‒dibenzo-18-crown-6 (1/1)","Acta Crystallographica Section C","2010","66","8","o433","o435","10.1107/S0108270110027630","","","0.71073","MoKα","","0.0565","0.0502","","","0.1025","0.105","","","","","","1.155","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017775","11.624","0.002","16.748","0.003","24.018","0.005","90","","90","","90","","4675.8","1.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H77.77 N2 O15.88 -","- C41 H77.768 N2 O15.884 -","- C164 H311.072 N8 O63.536 -","4","1","GW5005","Holstein, J. J.; Luger, P.; Kalinowski, R.; Mebs, S.; Paulman, C.; Dittrich, B.","Validation of experimental charge densities: refinement of the macrolide antibiotic roxithromycin","Acta Crystallographica Section B","2010","66","5","568","577","10.1107/S0108768110026480","","","0.56","synchrotron","","0.0226","0.0201","","","","0.0168","","","","","","3.5901","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2017794","5.1249","0.0002","13.7748","0.0004","21.9297","0.0006","90","","90","","90","","1548.12","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Deoxy-3-fluoro-D-glucose","3-deoxy-3-fluoro-β-D-glucopyranose","","- C6 H11 F O5 -","- C6 H11 F O5 -","- C48 H88 F8 O40 -","8","2","DN3151","Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Co-crystals of 3-deoxy-3-fluoro-α-<small>D</small>-glucopyranose and 3-deoxy-3-fluoro-β-<small>D</small>-glucopyranose","Acta Crystallographica Section C","2010","66","11","o557","o560","10.1107/S0108270110040096","","","1.54178","CuKα","","0.0284","0.0272","","","0.069","0.0699","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017795","5.2585","0.0007","6.0483","0.0005","42.133","0.004","90","","90","","90","","1340","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>S</i>-(4-Nitrophenyl) 4-nitrobenzenethiosulfonate","","- C12 H8 N2 O6 S2 -","- C12 H8 N2 O6 S2 -","- C48 H32 N8 O24 S8 -","4","1","EG3053","Brito, Iván; Albanez, Joselyn; Bolte, Michael; Cárdenas, Alejandro","<i>S</i>-(4-Nitrophenyl) 4-nitrobenzenethiosulfonate","Acta Crystallographica Section C","2010","66","9","o466","o468","10.1107/S0108270110027678","","","0.71073","MoKα","","0.0875","0.0635","","","0.1478","0.1574","","","","","","0.97","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017809","4.812","0.003","15.505","0.008","18.958","0.01","90","","90","","90","","1414.5","1.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-His-L-Ser 3.7-hydrate","L-Histidyl-L-serine 3.7-hydrate","","- C9 H21.4 N4 O7.7 -","- C9 H18 N4 O7.7 -","- C36 H72 N16 O30.8 -","4","1","FG3190","Görbitz, Carl Henrik","<small>L</small>-Histidyl-<small>L</small>-serine 3.7-hydrate: water channels in the crystal structure of a polar dipeptide","Acta Crystallographica Section C","2010","66","11","o531","o534","10.1107/S0108270110038254","","","0.71073","MoKα","","0.0905","0.0479","","","0.1073","0.1313","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2017810","7.008","0.0014","18.717","0.004","24.825","0.005","90","","90","","90","","3256.3","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[(1<i>S</i>)-1,4-azanediyl-1-(9-deazaadenin-9-yl)-1,4-dideoxy-5-methylsulfanyl-D-ribitol] tetrakis(hydrochloride) monohydrate","","- C24 H40 Cl4 N10 O5 S2 -","- C24 H40 Cl4 N10 O5 S2 -","- C96 H160 Cl16 N40 O20 S8 -","4","1","FG3191","Gainsford, Graeme J.; Evans, Gary B.; Johnston, Karen A.; Seth, Michael","Bis[(1<i>S</i>)-1,4-azanediyl-1-(9-deazaadenin-9-yl)-1,4-dideoxy-5-methylsulfanyl-<small>D</small>-ribitol] tetrakis(hydrochloride) monohydrate: structure, DFT energy and ligand docking results of a potent methylthioadenosine phosphorylase inhibitor found in different molecular conformations","Acta Crystallographica Section C","2010","66","11","o527","o530","10.1107/S0108270110037121","","","0.92014","synchrotron","","0.0269","0.0265","","","0.0652","0.0656","","","","","","1.055","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017816","6.5323","0.0002","9.2055","0.0003","12.6007","0.0003","90","","90","","90","","757.72","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-deoxy-4-fluoro-β-D-glucopyranose","4-Deoxy-4-fluoro-β-D-<i>ribo</i>-hexopyranose","","- C6 H11 F O5 -","- C6 H11 F O5 -","- C24 H44 F4 O20 -","4","1","FN3060","Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","4-Deoxy-4-fluoro-β-<small>D</small>-glucopyranose","Acta Crystallographica Section C","2010","66","10","o496","o498","10.1107/S0108270110034001","","","1.54178","CuKα","","0.0257","0.0254","","","0.0669","0.0671","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017839","7.2209","0.0005","13.14","0.002","17.559","0.002","90","","90","","90","","1666","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>*,4<i>R</i>*)-2-<i>exo</i>-(1-Naphthyl)-7-trifluoromethyl-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C21 H16 F3 N O2 -","- C21 H16 F3 N O2 -","- C84 H64 F12 N4 O8 -","4","1","GG3246","Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2010","66","11","o540","o546","10.1107/S0108270110038230","","","0.71073","MoKα","","0.0511","0.0399","","","0.0809","0.0857","","","","","","1.177","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017840","7.4394","0.0007","14.498","0.003","15.136","0.003","90","","90","","90","","1632.5","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>R</i>)-8-Chloro-9-methyl-2-<i>exo</i>-(1-naphthyl)-2,3,4,5- tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C21 H18 Cl N O -","- C21 H18 Cl N O -","- C84 H72 Cl4 N4 O4 -","4","1","GG3246","Sanabria, Carlos M.; Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four 1-naphthyl-substituted tetrahydro-1,4-epoxy-1-benzazepines: hydrogen-bonded structures in one, two and three dimensions","Acta Crystallographica Section C","2010","66","11","o540","o546","10.1107/S0108270110038230","","","0.71073","MoKα","","0.0662","0.0455","","","0.0834","0.0904","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017875","4.7071","0.0005","20.125","0.002","20.903","0.002","90","","90","","90","","1980.1","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl β-D-galactopyranosyl-(1\ρightarrow4)-β-D-allopyranoside tetrahydrate","","- C13 H32 O15 -","- C13 H32 O15 -","- C52 H128 O60 -","4","1","UK3025","Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-allopyranoside tetrahydrate","Acta Crystallographica Section C","2010","66","9","o484","o487","10.1107/S0108270110029471","","","0.7749","synchrotron","","0.0426","0.0391","","","0.0999","0.1024","","","","","","1.06","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017911","7.3091","0.0008","10.9033","0.0012","15.211","0.0016","90","","90","","90","","1212.2","0.2","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6aS,9S,10R,10aR)-11,11-dimethyl-5,5-dioxo-2,3,7,8,9,10-hexahydro- 6<i>H</i>-6a,9-methanooxazolo[2,3-<i>i</i>][2,1]benziisothiazol-10-ol","","- C12 H19 N O4 S -","- C12 H19 N O4 S -","- C48 H76 N4 O16 S4 -","4","1","GZ3184","Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.","Four novel spirooxazacamphorsultam derivatives","Acta Crystallographica Section C","2010","66","12","o600","o605","10.1107/S0108270110041843","","","0.71073","MoKα","","0.0365","0.031","","","0.0733","0.0766","","","","","","1.063","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017915","6.4133","0.0006","6.6924","0.0006","28.699","0.003","90","","90","","90","","1231.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2-fluorophenyl)-β-D-mannopyranosylamine","","- C12 H16 F N O5 -","- C12 H16 F N O5 -","- C48 H64 F4 N4 O20 -","4","1","GZ3186","Ojala, William H.; Skrypek, Thomas M.; MacQueen, Brianna C.; Ojala, Charles R.","Intermolecular C—F···H—C contacts in the molecular packing of three isostructural <i>N</i>-(fluorophenyl)mannopyranosylamines","Acta Crystallographica Section C","2010","66","12","o565","o570","10.1107/S0108270110043556","","","0.71073","MoKα","","0.0376","0.0305","","","0.0687","0.0715","","","","","","1.039","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017918","5.49","0.005","15.72","0.015","24.82","0.02","90","","90","","90","","2142","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DAPT","<i>N</i>-{<i>N</i>-[2-(3,5-Difluorophenyl)acetyl]-(<i>S</i>)-alanyl}- (<i>S</i>)-phenylglycine <i>tert</i>-butyl ester","","- C23 H26 F2 N2 O4 -","- C23 H26 F2 N2 O4 -","- C92 H104 F8 N8 O16 -","4","1","MX3037","Czerwinski, Andrzej; Valenzuela, Francisco; Afonine, Pavel; Dauter, Miroslawa; Dauter, Zbigniew","<i>N</i>-{<i>N</i>-[2-(3,5-Difluorophenyl)acetyl]-(<i>S</i>)-alanyl}-(<i>S</i>)-phenylglycine <i>tert</i>-butyl ester (DAPT): an inhibitor of γ-secretase, revealing fine electronic and hydrogen-bonding features","Acta Crystallographica Section C","2010","66","12","o585","o588","10.1107/S0108270110044136","","","0.7","synchrotron","","0.0399","0.0395","","","0.1115","0.1124","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017919","5.49","","15.72","","24.82","","90","","90","","90","","2142.03","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F2 N2 O4 -","- C22.512 H26 F1.955 Is27.357 N1.971 O3.892 -","- C90.048 H104 F7.82 Is109.428 N7.884 O15.568 -","4","1","MX3037","Czerwinski, Andrzej; Valenzuela, Francisco; Afonine, Pavel; Dauter, Miroslawa; Dauter, Zbigniew","<i>N</i>-{<i>N</i>-[2-(3,5-Difluorophenyl)acetyl]-(<i>S</i>)-alanyl}-(<i>S</i>)-phenylglycine <i>tert</i>-butyl ester (DAPT): an inhibitor of γ-secretase, revealing fine electronic and hydrogen-bonding features","Acta Crystallographica Section C","2010","66","12","o585","o588","10.1107/S0108270110044136","","","","","","","","","","","","","","","","","","","","","has coordinates","209312","2020-10-21","18:00:00",""
"2017974","7.3326","0.0005","9.8832","0.0005","13.3922","0.0011","90","","90","","90","","970.53","0.11","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(2,5-dioxo-2,5-dihydro-1<i>H</i>-pyrrol-1-yl)benzoic acid","","- C11 H7 N O4 -","- C11 H7 N O4 -","- C44 H28 N4 O16 -","4","1","EM3036","Moreno-Fuquen, Rodolfo; Tenorio, Juan C.; Ellena, Javier; De Simone, Carlos A.; Ribeiro, Leandro","4-(2,5-Dioxo-2,5-dihydro-1<i>H</i>-pyrrol-1-yl)benzoic acid: X-ray and DFT-calculated structure","Acta Crystallographica Section C","2011","67","2","o67","o70","10.1107/S0108270111002265","","","0.71073","MoKα","","0.084","0.049","","","0.109","0.128","","","","","","1.128","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017979","9.6848","0.0005","10.5107","0.0005","20.1765","0.0013","90","","90","","90","","2053.8","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Propynyl 2,3,4,6-tetra-<i>O</i>-acetyl-α-D-mannopyranoside","","- C17 H22 O10 -","- C17 H22 O10 -","- C68 H88 O40 -","4","1","GD3372","Al-Mughaid, Hussein; Robertson, Katherine N.; Werner-Zwanziger, Ulrike; Lumsden, Michael D.; Cameron, T. Stanley; Grindley, T. Bruce","2-Propynyl 2,3,4,6-tetra-<i>O</i>-acetyl-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section C","2011","67","2","o60","o63","10.1107/S010827011005225X","","","0.7107","MoKα","","0.0411","0.0389","","","0.1104","0.1127","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2017987","8.8218","0.0006","12.1304","0.0008","14.0031","0.0009","90","","90","","90","","1498.5","0.17","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>S</i>)-3-(3-hydroxyphenyl)- <i>N</i>,<i>N</i>,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","1","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0313","0.0297","","","0.0801","0.0813","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017988","8.8101","0.0006","12.1094","0.0008","13.9784","0.0009","90","","90","","90","","1491.29","0.17","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>)-3-(3-hydroxyphenyl)- <i>N</i>,<i>N</i>,2-trimethylpentan-1-aminium chloride","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","1","SF3144","Ravikumar, Krishnan; Sridhar, Balasubramanian; Pradhan, Nitin; Khunt, Mayur","Four stereoisomers of the novel μ-opioid receptor agonist tapentadol hydrochloride","Acta Crystallographica Section C","2011","67","2","o71","o76","10.1107/S0108270111001727","","","0.71073","MoKα","","0.0304","0.0295","","","0.0821","0.0831","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2017998","6.3823","0.0007","9.0629","0.0005","19.5457","0.0013","90","","90","","90","","1130.57","0.16","243","2","243","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-propylammonium benzoate","","- C10 H15 N O2 -","- C10 H15 N O2 -","- C40 H60 N4 O8 -","4","1","BM3101","Lemmerer, A.","Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules","Acta Crystallographica Section C","2011","67","3","o92","o99","10.1107/S0108270111003714","","","0.71073","MoKα","","","0.0612","","","","0.1805","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018030","4.6886","0.0001","14.4501","0.0003","34.788","0.0007","90","","90","","90","","2356.91","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-acetamido-2-deoxy-β-D-glucopyranoside dihydrate","","- C9 H19 N O7 -","- C9 H19 N O7 -","- C72 H152 N8 O56 -","8","2","FA3249","Hu, Xiaosong; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Methyl 2-acetamido-2-deoxy-β-<small>D</small>-glucopyranoside dihydrate and methyl 2-formamido-2-deoxy-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2011","67","4","o146","o150","10.1107/S0108270111009061","","","1.54178","CuKα","","0.0525","0.0425","","","0.1045","0.1105","","","","","","1.056","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018041","18.9529","0.0009","15.7268","0.0008","7.4934","0.0004","90","","90","","90","","2233.5","0.2","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-dichloridobis(triethylphosphine)platinum(II) chloroform monosolvate","","- C13 H31 Cl5 P2 Pt -","- C13 H31 Cl5 P2 Pt -","- C52 H124 Cl20 P8 Pt4 -","4","1","LN3146","Dillon, Keith B.; Howard, Judith A. K.; Monks, Philippa K.; Probert, Michael R.; Shepherd, Helena J.","A dynamic disorder-linked reversible phase transition in a new chloroform solvate of <i>cis</i>-dichloridobis(triethylphosphane)platinum(II)","Acta Crystallographica Section C","2011","67","4","m111","m114","10.1107/S0108270111008353","","","0.71073","MoKα","","0.0269","0.0234","","","0.0441","0.045","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018055","10.23394","0.00011","10.25106","0.0001","13.47563","0.00013","90","","90","","90","","1413.71","0.02","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dianin's amine","<i>(R)</i>-4-(4-Aminophenyl)-2,2,4-trimethylchroman","","- C18 H21 N O -","- C18 H21 N O -","- C72 H84 N4 O4 -","4","1","BM3104","Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.","(<i>R</i>)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (<i>S</i>)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman","Acta Crystallographica Section C","2011","67","5","o188","o191","10.1107/S0108270111012157","","","1.54178","CuKα","","0.0265","0.0264","","","0.0713","0.0715","","","","","","1.003","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018056","10.6043","0.0006","10.4104","0.0005","13.4126","0.0006","90","","90","","90","","1480.68","0.13","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Thiadianin's amine","<i>(S)</i>-4-(4-Aminophenyl)-2,2,4-trimethylthiachroman","","- C18 H21 N S -","- C18 H21 N S -","- C72 H84 N4 S4 -","4","1","BM3104","Frampton, Christopher S.; MacNicol, David D.; Wilson, Derek R.","(<i>R</i>)-4-(4-Aminophenyl)-2,2,4-trimethylchroman and (<i>S</i>)-4-(4-aminophenyl)-2,2,4-trimethylthiachroman","Acta Crystallographica Section C","2011","67","5","o188","o191","10.1107/S0108270111012157","","","1.54178","CuKα","","0.0276","0.0272","","","0.0693","0.0697","","","","","","1.004","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:00",""
"2018065","8.15051","0.00015","17.4091","0.0003","19.7447","0.0004","90","","90","","90","","2801.64","0.09","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate","","- C26 H24 Cu2 N6 O11 -","- C26 H24 Cu2 N6 O11 -","- C104 H96 Cu8 N24 O44 -","4","1","GG3255","Abud, Julian E.; Sartoris, Rosana P.; Calvo, Rafael; Baggio, Ricardo","μ-Acetato-μ-aqua-μ-hydroxido-bis[(1,10-phenanthroline)copper(II)] dinitrate monohydrate","Acta Crystallographica Section C","2011","67","5","m130","m133","10.1107/S0108270111011048","","","0.71073","MoKα","","0.0427","0.0292","","","0.0527","0.0542","","","","","","0.911","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018069","9.4744","0.0012","9.5803","0.0012","19.145","0.002","90","","90","","90","","1737.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[tetra-μ~2~-L-lactato-indium(III)sodium(I)]","","- C12 H20 In Na O12 -","- C12 H20 In Na O12 -","- C48 H80 In4 Na4 O48 -","4","1","LG3055","Wei, Jia-Jia; Zhang, Na; Wang, Yu-Ling; Liu, Qing-Yan","Poly[tetra-μ~2~-<small>L</small>-lactato-indium(III)sodium(I)]","Acta Crystallographica Section C","2011","67","5","m145","m148","10.1107/S0108270111013606","","","0.71073","MoKα","","0.0378","0.0285","","","0.0532","0.0568","","","","","","1.022","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018071","6.678","0.002","8.877","0.002","24.93","0.006","90","","90","","90","","1477.9","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal cyclohexylammonium salt","cyclohexylammonium 5,5-dimethoxy-2-oxo-1,3,2-dioxaphosphinane-2-olate","","- C11 H24 N O6 P -","- C11 H24 N O6 P -","- C44 H96 N4 O24 P4 -","4","1","MX3045","Ślepokura, Katarzyna; Mitaszewska, Irmina","Acidic and anionic forms of 1,3-cyclic dihydroxyacetone phosphate (cDHAP) dimethyl acetal","Acta Crystallographica Section C","2011","67","5","o161","o165","10.1107/S0108270111011723","","","1.5418","CuKα","","0.0632","0.0371","","","0.055","0.0596","","","","","","1.023","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018073","8.2526","0.0003","11.9486","0.0004","32.1865","0.001","90","","90","","90","","3173.81","0.19","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","5-amino-8-(2,3,5-tri-<i>O</i>-benzoyl-β-D-ribofuranosyl)pyrimido[4,5- <i>d</i>]pyrimidine-2,4(3<i>H</i>,8<i>H</i>)-dione methanol monosolvate","","- C33 H29 N5 O10 -","- C33 H29 N5 O10 -","- C132 H116 N20 O40 -","4","1","QS3001","Pan, Mei-Ying; Wu, Xiao-Hua; Luo, Dai-Bing; Huang, Wen; He, Yang","A novel Janus-type AT nucleoside with benzoyl protecting groups forming a pleated-sheet structure","Acta Crystallographica Section C","2011","67","5","o175","o178","10.1107/S0108270111011383","","","0.7107","MoKα","","0.0633","0.0384","","","0.086","0.0928","","","","","","0.912","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018078","6.0318","0.0009","8.3396","0.001","25.361","0.004","90","","90","","90","","1275.7","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>*,4<i>S</i>*)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1<i>H</i>- 1-benzazepin-4-ol","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","SK3404","Gómez, Sandra L.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","(2<i>R</i>*,4<i>S</i>*)-2-(Pyridin-3-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1-benzazepin-4-ol: a three-dimensional framework built from O—H···N, C—H···O and C—H···π(arene) hydrogen bonds","Acta Crystallographica Section C","2011","67","5","o157","o160","10.1107/S010827011101016X","","","0.71073","MoKα","","0.05","0.0347","","","0.0768","0.0855","","","","","","1.114","","","","has coordinates,has Fobs","288505","2023-12-22","15:12:01",""
"2018101","8.37465","0.00007","11.93209","0.0001","12.61875","0.0001","90","","90","","90","","1260.95","0.018","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Dichloridobis(2-methyl-2<i>H</i>-tetrazol-5-amine- κ<i>N</i>^4^)platinum(II)","","- C4 H10 Cl2 N10 Pt -","- C4 H10 Cl2 N10 Pt -","- C16 H40 Cl8 N40 Pt4 -","4","1","FA3255","Ivashkevich, Ludmila S.; Serebryanskaya, Tatyana V.; Lyakhov, Alexander S.; Gaponik, Pavel N.","An X-ray powder diffraction study of <i>cis</i>-dichloridobis(2-methyl-2<i>H</i>-tetrazol-5-amine-κ<i>N</i>^4^)platinum(II), a tetrazole-containing analogue of cisplatin","Acta Crystallographica Section C","2011","67","6","m195","m198","10.1107/S0108270111018063","powder diffraction","","1.5418","CuKα","","0.033","","","","","","","","1.64","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018110","5.4948","0.0001","8.683","0.0001","21.3724","0.0004","90","","90","","90","","1019.71","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-carboxyethyl(phenyl)phosphinc acid","","","- C9 H11 O4 P -","- C9 H11 O4 P -","- C36 H44 O16 P4 -","4","1","SF3148","Hu, Qiao-Sheng; Zhang, Xiu-Zhi; Luo, Shu-Fen; Sun, Yu-Hui; Du, Zi-Yi","Two polymorphs of (2-carboxyethyl)(phenyl)phosphinic acid","Acta Crystallographica Section C","2011","67","6","o195","o197","10.1107/S0108270111013163","","","0.71073","MoKα","","0.0443","0.0383","","","0.0838","0.087","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018111","6.1741","0.0015","8.7308","0.0019","19.844","0.004","90","","90","","90","","1069.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-carboxyethyl(phenyl)phosphinc acid","","","- C9 H11 O4 P -","- C9 H11 O4 P -","- C36 H44 O16 P4 -","4","1","SF3148","Hu, Qiao-Sheng; Zhang, Xiu-Zhi; Luo, Shu-Fen; Sun, Yu-Hui; Du, Zi-Yi","Two polymorphs of (2-carboxyethyl)(phenyl)phosphinic acid","Acta Crystallographica Section C","2011","67","6","o195","o197","10.1107/S0108270111013163","","","0.71073","MoKα","","0.0499","0.037","","","0.0831","0.0898","","","","","","1.031","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018149","5.8272","0.0004","9.8245","0.0004","14.3943","0.0011","90","","90","","90","","824.06","0.09","110.3","","110.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-carboline norharman","9<i>H</i>-pyrido[3,4-<i>b</i>]indole","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","KU3050","Thatcher, Robert J.; Douthwaite, Richard E.","β-Carboline (norharman)","Acta Crystallographica Section C","2011","67","7","o241","o243","10.1107/S0108270111021706","","","0.7107","MoKα","","0.0651","0.0377","","","0.0664","0.0726","","","","","","0.996","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018175","12.4407","0.0003","19.1542","0.0005","14.6744","0.0004","90","","90","","90","","3496.79","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium 2-(picramino)benzoate monohydrate","2,3-Dimethoxy-10-oxostrychnidinium 2-(2,4,6-trinitroanilino)benzoate monohydrate","","- C36 H36 N6 O13 -","- C36 H36 N6 O13 -","- C144 H144 N24 O52 -","4","1","FG3225","Smith, Graham; Wermuth, Urs D.","2,3-Dimethoxy-10-oxostrychnidinium 2-(2,4,6-trinitroanilino)benzoate monohydrate: a 1:1 proton-transfer salt of brucine with <i>o</i>-picraminobenzoic acid","Acta Crystallographica Section C","2011","67","8","o334","o336","10.1107/S010827011102782X","","","0.71073","MoKα","","0.0643","0.0434","","","0.1034","0.1088","","","","","","0.96","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018190","11.6937","0.0012","18.6458","0.0019","27.047","0.003","90","","90","","90","","5897.3","1.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-L-Val-L-Val-OMe","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-L-valyl-L-valine methyl ester","","- C16 H30 N2 O5 -","- C16 H30 N2 O5 -","- C192 H360 N24 O60 -","12","3","JZ3205","Jacobsen, Øyvind; Gebreslasie, Hadgu Girmay; Klaveness, Jo; Rongved, Pål; Görbitz, Carl Henrik","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-<small>L</small>-valyl-<small>L</small>-valine methyl ester: a twisted parallel β-sheet in the crystal structure of a protected dipeptide","Acta Crystallographica Section C","2011","67","8","o278","o282","10.1107/S0108270111022293","","","0.71073","MoKα","","0.0477","0.0364","","","0.0831","0.0889","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018220","7.215","0.003","14.429","0.002","14.595","0.005","90","","90","","90","","1519.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,4,5-trimethoxybenzylidene-4-nitroaniline","(<i>E</i>)-4-nitro-<i>N</i>-(3,4,5-trimethoxybenzylidene)aniline","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C64 H64 N8 O20 -","4","1","FA3256","Collas, Alain; Blockhuys, Frank","(<i>E</i>)-4-[2-(3,4,5-Trimethoxyphenyl)ethenyl]nitrobenzene and its `bridge-flipped' analogues","Acta Crystallographica Section C","2011","67","9","o364","o369","10.1107/S0108270111030952","","","0.71073","MoKα","","0.0622","0.052","","","0.1303","0.1405","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018235","9.4591","0.0013","10.094","0.002","24.37","0.004","90","","90","","90","","2326.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>O</i>-Tosyl cinchonidine","<i>O</i>-Tosyl cinchonidine","","- C26 H28 N2 O3 S -","- C26 H28 N2 O3 S -","- C104 H112 N8 O12 S4 -","4","1","YF3003","Karczmarzyk, Zbigniew; Lipińska, Teodozja M.; Wysocki, Waldemar; Denisiuk, Monika; Piechocka, Katarzyna","Tosyl esters of cinchonidine and cinchonine alkaloids: the structure‒reactivity relationship in the hydrolysis to 9-epibases","Acta Crystallographica Section C","2011","67","9","o346","o349","10.1107/S0108270111027272","","","1.54178","CuKα","","0.0792","0.0638","","","0.1569","0.1672","","","","","","1.057","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018236","6.835","0.0013","17.7364","0.0016","18.6632","0.0017","90","","90","","90","","2262.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>O</i>-Tosyl cinchonine","","- C26 H28 N2 O3 S -","- C26 H28 N2 O3 S -","- C104 H112 N8 O12 S4 -","4","1","YF3003","Karczmarzyk, Zbigniew; Lipińska, Teodozja M.; Wysocki, Waldemar; Denisiuk, Monika; Piechocka, Katarzyna","Tosyl esters of cinchonidine and cinchonine alkaloids: the structure‒reactivity relationship in the hydrolysis to 9-epibases","Acta Crystallographica Section C","2011","67","9","o346","o349","10.1107/S0108270111027272","","","1.54178","CuKα","","0.0985","0.0509","","","0.1507","0.1765","","","","","","1.012","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018249","4.97","0.004","9.034","0.009","15.544","0.014","90","","90","","90","","697.9","1.1","203","1","203","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","anisaldehyde","4-methoxybenzaldehyde","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","FG3222","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Thakur, Tejender S.; Desiraju, Gautam R.","Weak C—H···O hydrogen bonds in anisaldehyde, salicylaldehyde and cinnamaldehyde","Acta Crystallographica Section C","2011","67","10","o387","o390","10.1107/S0108270111035840","","","0.71073","MoKα","","0.0536","0.036","","","0.0653","0.071","","","","","","0.94","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018323","5.5716","0.0009","9.582","0.0016","13.159","0.002","90","","90","","90","","702.5","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-dichloro-7<i>H</i>-purine","","- C5 H2 Cl2 N4 -","- C5 H2 Cl2 N4 -","- C20 H8 Cl8 N16 -","4","1","GG3264","García-Rubiño, M. Eugenia; Choquesillo-Lazarte, Duane; Núñez, M. C.; Campos, Joaquín M.","Two tautomeric polymorphs of 2,6-dichloropurine","Acta Crystallographica Section C","2011","67","12","o484","o486","10.1107/S0108270111043575","","","0.71073","MoKα","","0.0378","0.0326","","","0.0694","0.0709","","","","","","1.381","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018358","13.7878","0.0014","22.892","0.002","4.6367","0.0005","90","","90","","90","","1463.5","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl β-D-galactopyranosyl-(1\ρightarrow4)-β-D-xylopyranoside","","- C12 H22 O10 -","- C12 H22 O10 -","- C48 H88 O40 -","4","1","TP3005","Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Disorder and conformational analysis of methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-xylopyranoside","Acta Crystallographica Section C","2012","68","1","o7","o11","10.1107/S0108270111048347","","","1.2399","synchrotron","","0.0813","0.0671","","","0.1536","0.1583","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018373","9.7979","0.0007","10.0424","0.0008","36.052","0.003","90","","90","","90","","3547.3","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-poly[[[tetraaquamagnesium(II)]-μ-phenylacetato- κ^2^<i>O</i>:<i>O</i>'] phenylacetate]","","- C16 H22 Mg O8 -","- C16 H22 Mg O8 -","- C128 H176 Mg8 O64 -","8","2","GZ3204","Arlin, Jean-Baptiste; Kennedy, Alan R.; Shankland, Kenneth","Magnesium, calcium and strontium salts of phenylacetic acid","Acta Crystallographica Section C","2012","68","2","m29","m33","10.1107/S0108270111055284","","","0.6884","synchrotron","","0.0506","0.037","","","0.088","0.0956","","","","","","1.018","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018387","7.6148","0.0005","8.5592","0.0006","9.3406","0.0006","90","","90","","90","","608.79","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hydantoin-5-acetic acid","2-(2,5-dioxoimidazolidin-4-yl)acetic acid","","- C5 H6 N2 O4 -","- C5 H6 N2 O4 -","- C20 H24 N8 O16 -","4","1","SK3419","Gerhardt, Valeska; Tutughamiarso, Maya; Bolte, Michael","Conformational studies of hydantoin-5-acetic acid and orotic acid","Acta Crystallographica Section C","2012","68","2","o92","o98","10.1107/S0108270112001151","","","0.71073","MoKα","","0.0309","0.0247","","","0.0537","0.055","","","","","","0.992","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018459","7.6419","0.0004","16.2205","0.0008","23.4299","0.0012","90","","90","","90","","2904.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","poly[[diaqua((2<i>S</i>,3<i>R</i>,4<i>S</i>)-3-ethenyl-2-(β-D- glucopyranosyloxy)-4-{[(1<i>S</i>)-2,3,4,9-tetrahydro-1<i>H</i>- pyrido[3,4-<i>b</i>]indol-2-ium-1-yl]methyl}-3,4-dihydro-2<i>H</i>- pyran-5-carboxylate)sodium] chloride monohydrate]","","- C26 H38 Cl N2 Na O12 -","- C26 H38 Cl N2 Na O12 -","- C104 H152 Cl4 N8 Na4 O48 -","4","1","LG3078","de Castro, Rosane; da Matos, Carolina; Nascimento, Cláudia A. do; Oliveira, Cecília M. A.; Kato, Lucília; Lião, Luciano M.; Sabino, José R.","Absolute configuration of strictosidinic acid","Acta Crystallographica Section C","2012","68","4","m94","m96","10.1107/S0108270112010372","","","1.54178","CuKα","","0.0729","0.0628","","","","0.1589","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018467","5.779","0.0004","11.34","0.0011","22.751","0.0015","90","","90","","90","","1491","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cycloheptylaminium cinnamate","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","EM3048","Lemmerer, Andreas; Fernandes, Manuel A.","Structural study of six cycloalkylammonium cinnamate salt structures featuring one-dimensional columns and two-dimensional hydrogen-bonded networks","Acta Crystallographica Section C","2012","68","5","o188","o194","10.1107/S0108270112013534","","","0.71073","MoKα","","","0.0382","","","","0.0842","","","","","","0.949","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018472","9.428","0.005","16.047","0.005","16.06","0.005","90","","90","","90","","2429.7","1.7","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-aqua{1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11- tetraazacyclotetradecane}nickel(II) bis(perchlorate)","","- C15 H32 Cl2 N6 Ni O9 -","- C15 H32 Cl2 N6 Ni O9 -","- C60 H128 Cl8 N24 Ni4 O36 -","4","1","FA3274","De Candia, Ariel G.; Molnar, Matias; Slep, Leonardo D.; Baggio, Ricardo","Four Ni^II^ complexes with the new cyclam‒methylimidazole ligand 1-[(1-methyl-1<i>H</i>-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2012","68","5","m121","m126","10.1107/S0108270112014904","","","0.71069","MoKα","","0.0795","0.0585","","","0.1279","0.1532","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018475","13.8506","0.0006","17.3867","0.0008","19.7476","0.0008","90","","90","","90","","4755.5","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rifampicin pentahydrate","(2<i>S</i>,12<i>Z</i>,14<i>E</i>,16<i>S</i>,17<i>S</i>,18<i>R</i>, 19<i>R</i>,20<i>R</i>,21<i>S</i>,22<i>R</i>,23<i>S</i>,24<i>E</i>)-21- acetyloxy-6,9,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl- 8-[(<i>E</i>)-<i>N</i>-(4-methylpiperazin-4-ium-1-yl)formimidoyl]-1,11-dioxo- 1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-<i>b</i>]furan- 5-olate pentahydrate","","- C43 H68 N4 O17 -","- C43 H68 N4 O17 -","- C172 H272 N16 O68 -","4","1","FA3275","Wicher, Barbara; Pyta, Krystian; Przybylski, Piotr; Tykarska, Ewa; Gdaniec, Maria","Redetermination of rifampicin pentahydrate revealing a zwitterionic form of the antibiotic","Acta Crystallographica Section C","2012","68","5","o209","o212","10.1107/S0108270112015296","","","1.54178","CuKα","","0.0508","0.0482","","","0.1321","0.1353","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018493","6.3941","0.0002","18.144","0.0007","22.6047","0.0009","90","","90","","90","","2622.47","0.17","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (2<i>R</i>)-2-[(3<i>R</i>,5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>, 13<i>S</i>,14<i>S</i>)-10,13-dimethyl-2',17-dioxohexadecahydro-3'<i>H</i>- spiro[cyclopenta[<i>a</i>]phenanthrene-3,5'-[1,3]oxazolidin-3'-yl]]- 4-methylpentanoate","","- C28 H43 N O5 -","- C28 H43 N O5 -","- C112 H172 N4 O20 -","4","1","FA3273","Djigoue, Guy-Bertrand; Simard, Michel; Kenmogne, Lucie-Carolle; Poirier, Donald","Two androsterone derivatives as inhibitors of androgen biosynthesis","Acta Crystallographica Section C","2012","68","6","o231","o234","10.1107/S0108270112021099","","","1.54178","CuKα","","0.0389","0.0369","","","0.0989","0.1007","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018582","5.709","0.002","10.284","0.003","32.795","0.009","90","","90","","90","","1925.4","1","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>L</i>-Histdinium inosine 3':5'-cyclic phosphate","5-(2-amino-2-carboxyethyl)-1<i>H</i>-imidazol-3-ium 7-hydroxy-2-oxo-6-(6-oxo-6,9-dihydro-1<i>H</i>-purin-9-yl)-4a,6,7,7a-tetrahydro- 4<i>H</i>-1,3,5,2λ^5^-furo[3,2-<i>d</i>][1,3,2λ^5^]dioxaphosphinin-2-olate","","- C16 H20 N7 O9 P -","- C16 H20 N7 O9 P -","- C64 H80 N28 O36 P4 -","4","1","QS3016","Ślepokura, Katarzyna","The first 3':5'-cyclic nucleotide‒amino acid complex: <small>L</small>-His‒cIMP","Acta Crystallographica Section C","2012","68","8","o311","o316","10.1107/S0108270112030041","","","0.71073","MoKα","","0.0323","0.0296","","","0.0762","0.0771","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018595","6.4958","0.0002","12.5236","0.0004","16.1281","0.0006","90","","90","","90","","1312.03","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(3-carboxyphenyl)cyclohexane-1,2-diimide","<i>cis</i>-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzoic acid","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","BM3120","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in cyclic imides and amide carboxylic acid derivatives from the facile reaction of <i>cis</i>-cyclohexane-1,2-carboxylic anhydride with <i>o</i>- and <i>p</i>-anisidine and <i>m</i>- and <i>p</i>-aminobenzoic acids","Acta Crystallographica Section C","2012","68","9","o327","o331","10.1107/S0108270112030168","","","0.71073","MoKα","","0.0497","0.0375","","","0.0835","0.0858","","","","","","1.095","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018622","15.7098","0.00017","18.8926","0.0002","15.03575","0.00016","90","","90","","90","","4462.6","0.08","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","clarithromycin trihydrate","clarithromycin trihydrate","","- C38 H75 N O16 -","- C38 H75 N O16 -","- C152 H300 N4 O64 -","4","1","FA3285","van de Streek, Jacco","Reinterpretation of the monohydrate of clarithromycin from X-ray powder diffraction data as a trihydrate","Acta Crystallographica Section C","2012","68","9","o369","o372","10.1107/S0108270112035536","powder diffraction","","1.3","synchrotron","","","","","","","","","","1.193","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018623","10.3504","0.0007","16.0908","0.0011","24.4828","0.0016","90","","90","","90","","4077.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>)-2-((<i>S</i>)-{1-[(2<i>S</i>,3a<i>S</i>,7a<i>S</i>)-2- carboxyoctahydro-1<i>H</i>-indol-1-yl]-1-oxopropan-2-yl}azaniumyl)pentanoate dimethyl sulfoxide hemisolvate","","- C18 H31 N2 O5.5 S0.5 -","- C18 H31 N2 O5.5 S0.5 -","- C144 H248 N16 O44 S4 -","8","2","FG3257","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Fruziński, Andrzej; Kopczacki, Piotr; Walczyński, Krzysztof; Remko, Milan","Novel pseudopolymorph of the active metabolite of perindopril","Acta Crystallographica Section C","2012","68","9","o341","o343","10.1107/S0108270112032349","","","1.54178","CuKα","","0.0269","0.0268","","","0.0701","0.0702","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018634","8.1645","0.0002","10.0136","0.0002","23.2429","0.0005","90","","90","","90","","1900.25","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>)-2-((<i>S</i>)-{1-[2<i>S</i>,3a<i>S</i>,7a<i>S</i>)-2- carboxyoctahydro-1<i>H</i>-indol-1-yl]-1-oxopropan-2yl}azaniumyl)pentanoate monohydrate","","- C17 H30 N2 O6 -","- C17 H30 N2 O6 -","- C68 H120 N8 O24 -","4","1","FG3275","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Kopczacki, Piotr; Walczyński, Krzysztof; Remko, Milan","Perindoprilat monohydrate","Acta Crystallographica Section C","2012","68","11","o443","o446","10.1107/S0108270112041583","","","1.54178","CuKα","","0.027","0.0269","","","0.0688","0.0689","","","","","","1.077","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018642","12.379","0.008","19.294","0.014","6.835","0.004","90","","90","","90","","1632.5","1.9","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(-)-4-[(4-Fluoroisoquinolin-5-yl)sulfonyl]-3-methyl-1,4- diazepan-1-ium chloride","","- C15 H19 Cl F N3 O2 S -","- C15 H19 Cl F N3 O2 S -","- C60 H76 Cl4 F4 N12 O8 S4 -","4","1","KY3019","Ohba, Shigeru; Gomi, Noriaki; Ohgiya, Tadaaki; Shibuya, Kimiyuki","Three derivatives of 4-fluoro-5-sulfonylisoquinoline","Acta Crystallographica Section C","2012","68","10","o427","o430","10.1107/S0108270112039388","","","0.71069","MoKα","","","0.0587","","","","0.1659","","","","","","1.035","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018675","9.8921","0.0001","10.4471","0.0001","15.1403","0.0002","90","","90","","90","","1564.66","0.03","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzamidinidium 2,6-dimethoxybenzoate","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","UK3051","Irrera, Simona; Ortaggi, Giancarlo; Portalone, Gustavo","Supramolecular association in proton-transfer adducts containing benzamidinium cations. II. Concomitant polymorphs of the molecular salt of 2,6-dimethoxybenzoic acid with benzamidine","Acta Crystallographica Section C","2012","68","11","o447","o451","10.1107/S010827011204067X","","","0.71069","MoKα","","0.0665","0.0579","","","0.1521","0.156","","","","","","1.188","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018684","7.208","0.0001","12.7611","0.0003","16.3676","0.0004","90","","90","","90","","1505.52","0.06","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Oxycodone <i>N</i>-oxide","(5<i>R</i>,9<i>R</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-14-hydroxy- 3-methoxy-17-methyl-4,5-epoxymorphinan-6-one <i>N</i>-oxide","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","UK3053","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","Oxycodone <i>N</i>-oxide","Acta Crystallographica Section C","2012","68","11","o436","o438","10.1107/S0108270112040188","","","0.71073","MoKα","","0.0426","0.0338","","","0.0772","0.0806","","","","","","1.071","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018701","6.8625","0.0003","10.0319","0.0004","14.1026","0.0006","90","","90","","90","","970.88","0.07","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Potassium 1-thio-β-D-glucoside monohydrade","Poly[(μ~2~-aqua)(μ~4~-1-sulfido-β-D-glucoside)potassium]","","- C6 H13 K O6 S -","- C6 H13 K O6 S -","- C24 H52 K4 O24 S4 -","4","1","EM3054","Yoshinari, Nobuto; Kitani, Naoki; Konno, Takumi","The first crystal structure of an alkaline metal salt of thioglucose: potassium 1-thio-β-<small>D</small>-glucoside monohydrate","Acta Crystallographica Section C","2012","68","12","m363","m366","10.1107/S0108270112047014","","","0.71075","MoKα","","0.0382","0.0378","","","0.0775","0.0779","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018727","8.735","0.005","15.54","0.01","24.238","0.015","90","","90","","90","","3290","3","299","1","299","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-leucyl-glycine dihydrate","<i>L</i>-Leucylglycine 0.67-hydrate","","- C24 H52 N6 O11 -","- C24 H52 N6 O11 -","- C96 H208 N24 O44 -","4","1","UK3056","Kiyotani, Tamiko; Sugawara, Yoko","<small>L</small>-Leucylglycine 0.67-hydrate and [(4<i>S</i>)-2,2-dimethyl-4-(2-methylpropyl)-5-oxoimidazolidin-3-ium-1-yl]acetate","Acta Crystallographica Section C","2012","68","12","o498","o501","10.1107/S010827011204810X","","","0.7107","MoKα","","0.0742","0.0602","","","0.149","0.1605","","","","","","1.085","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018732","14.146","0.003","16.358","0.003","22.856","0.005","90","","90","","90","","5288.9","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tris(3,5-diphenylpyrazolato-κ^2^<i>N</i>,<i>N</i>')tris(tetrahydrofuran- κ<i>O</i>)lanthanum(III) tetrahydrofuran monosolvate","","- C61 H65 La N6 O4 -","- C61 H65 La N6 O4 -","- C244 H260 La4 N24 O16 -","4","1","BI3050","Wang, Yu-Long; Feng, Meng; Tao, Xian; Tang, Qing-Yun; Shen, Ying-Zhong","Two lanthanum(III) complexes containing η^2^-pyrazolate and η^2^-1,2,4-triazolate ligands: intramolecular C—H···N/O interactions and coordination geometries","Acta Crystallographica Section C","2013","69","1","25","28","10.1107/S0108270112049281","","","0.71073","MoKα","","0.0309","0.0294","","","0.053","0.0539","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018758","5.922","0.002","9.635","0.002","33.026","0.008","90","","90","","90","","1884.4","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dimethyl (2<i>S</i>)-2-{bis[(<i>tert</i>-butoxycarbonyl]amino}butanedioate","","- C16 H27 N O8 -","- C16 H27 N O8 -","- C64 H108 N4 O32 -","4","1","QS3019","Wojewska, Dominika; Kluczyk, Alicja; Ślepokura, Katarzyna","Geometric changes around an N atom due to a urethane-type bis(<i>tert</i>-butoxycarbonyl) substituent","Acta Crystallographica Section C","2013","69","1","82","86","10.1107/S0108270112048846","","","0.71073","MoKα","","0.0413","0.0333","","","0.082","0.0841","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018763","6.5227","0.0008","7.4153","0.0008","8.7646","0.001","90","","90","","90","","423.92","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Lead(II) formate","Poly[di-μ~4~-formato-lead(II)]","","- C2 H2 O4 Pb -","- C2 H2 O4 Pb -","- C8 H8 O16 Pb4 -","4","1","SK3452","Lanza, Arianna; Gambirasi, Arianna; Favaro, Monica; Peruzzo, Luca; Chiurato, Matteo; Nestola, Fabrizio","Re-investigation of lead(II) formate","Acta Crystallographica Section C","2013","69","1","41","43","10.1107/S010827011204913X","","","0.71073","MoKα","","0.044","0.0354","","","0.0769","0.0794","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018774","5.1955","0.0006","10.3017","0.0017","20.943","0.002","90","","90","","90","","1120.9","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-Oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoic acid","","- C10 H16 N2 O3 S -","- C10 H16 N2 O3 S -","- C40 H64 N8 O12 S4 -","4","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0403","0.0354","","","0.0881","0.0896","","","","","","0.994","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018781","10.4235","0.0002","19.1651","0.0002","37.2907","0.0004","90","","90","","90","","7449.47","0.18","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","telaprevir","(1<i>S</i>,3a<i>R</i>,6a<i>S</i>)-2-((2<i>S</i>)-2-{[(2<i>S</i>)-2-Cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino}-3,3-dimethylbutanoyl)-<i>N</i>-[(3<i>S</i>)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1<i>H</i>-cyclopenta[<i>c</i>]pyrrole-1-carboxamide","","- C36 H53 N7 O6 -","- C36 H53 N7 O6 -","- C288 H424 N56 O48 -","8","2","FN3124","Gelbrich, Thomas; Kahlenberg, Volker; Langes, Christoph; Griesser, Ulrich J.","Telaprevir: helical chains based on three-point hydrogen-bond connections","Acta Crystallographica Section C","2013","69","2","179","182","10.1107/S0108270113000954","","","1.5418","CuKα","","0.0493","0.0469","","","0.1192","0.1214","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018795","3.937","0.0009","11.977","0.003","21.482","0.006","90","","90","","90","","1013","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Allyloxy-7-chloroquinoline","","- C12 H10 Cl N O -","- C12 H10 Cl N O -","- C48 H40 Cl4 N4 O4 -","4","1","SK3473","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N.","Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking","Acta Crystallographica Section C","2013","69","2","191","194","10.1107/S0108270113001510","","","0.71075","MoKα","","0.0371","0.0321","","","0.0733","0.0754","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018820","5.96905","0.00004","14.7659","0.00009","20.76083","0.00013","90","","90","","90","","1829.83","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-<i>exo</i>,<i>anti</i>-(1<i>R</i>,2<i>S</i>,5<i>S</i>)-8-Benzyl- 2-[(<i>R</i>)-(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-one","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","1","GZ3222","Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna","Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones","Acta Crystallographica Section C","2013","69","3","303","306","10.1107/S0108270113002503","","","0.71073","MoKα","","0.0363","0.0328","","","0.0782","0.08","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018847","7.0387","0.0003","11.5605","0.001","18.1951","0.0017","90","","90","","90","","1480.6","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,4<i>S</i>)-2-(3-Methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]-azepine","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","YF3025","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions","Acta Crystallographica Section C","2013","69","3","307","312","10.1107/S0108270113004551","","","0.71073","MoKα","","0.1166","0.0372","","","0.0672","0.0834","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018850","6.2335","0.0006","8.9651","0.0008","24.747","0.002","90","","90","","90","","1383","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3<i>Z</i>)-4-(5-Ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","YP3023","Akerman, Kate J.; Munro, Orde Q.","An X-ray crystallographic and density functional theory study of (3<i>Z</i>)-4-(5-ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one and (3<i>Z</i>)-4-(5-<i>tert</i>-butyl-2-hydroxyanilino)pent-3-en-2-one","Acta Crystallographica Section C","2013","69","3","258","262","10.1107/S0108270113002369","","","0.71073","MoKα","","0.0232","0.0229","","","0.0592","0.0598","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018860","13.901","","11.073","","6.303","","90","","90","","90","","970.194","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Ag4 P2 S6 -","- Ag4 P2 S6 -","- Ag16 P8 S24 -","4","1","","Toffoli, P.; Rodier, N.; Khodadad, P.","Structure d'une Deuxieme Variete d'Hexathiodiphosphate(IV) d'Argent, Ag4 P2 S6. Comparaison des Structures des Deux Varietes","Acta Crystallographica C (39,1983-)","1983","39","","1485","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2018928","4.7783","0.0001","10.7727","0.0002","22.9128","0.0005","90","","90","","90","","1179.44","0.04","298","2","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1<i>H</i>-Imidazol-3-ium 1,4-dioxo-1,4-dihydronaphthalen-2-olate","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","SF3193","Ribeiro, Marcos Antônio; Oliveira, Willian Xerxes Coelho; Stumpf, Humberto Osório; Pinheiro, Carlos Basílio","The structure of the 1<i>H</i>-imidazol-3-ium lawsonate salt aided by <i>ab initio</i> gas-phase calculations","Acta Crystallographica Section C","2013","69","4","403","406","10.1107/S0108270113005106","","","1.5418","CuKα","","0.0371","0.0347","","","0.085","0.0879","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018959","5.964","0.002","9.777","0.004","17.469","0.006","90","","90","","90","","1018.6","0.6","105","2","105","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>S</i>)-2,6-Dimethylheptane-1,3-diol","","- C9 H20 O2 -","- C9 H20 O2 -","- C36 H80 O8 -","4","1","GZ3232","Høgmoen Åstrand, Ove Alexander; Iqbal, Zeshan; Sandberg, Marcel; Kase, Eili T.; Görbitz, Carl Henrik; Rongved, Pål","(2<i>S</i>,3<i>S</i>)-2,6-Dimethylheptane-1,3-diol, the oxygenated side chain of 22(<i>S</i>)-hydroxycholestrol, and its synthetic precursor (<i>R</i>)-4-benzyl-3-[(2<i>R</i>,3<i>S</i>)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2013","69","6","647","650","10.1107/S0108270113011852","","","0.71073","MoKα","","0.031","0.028","","","0.0728","0.0743","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018962","8.0666","0.0002","9.8727","0.0002","28.4593","0.0006","90","","90","","90","","2266.47","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","alogliptin benzoate","(3<i>R</i>)-1-{3-[(2-Cyanophenyl)methyl]-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}piperidin-3-aminium benzoate","","- C25 H27 N5 O4 -","- C25 H27 N5 O4 -","- C100 H108 N20 O16 -","4","1","GZ3235","Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Alogliptin and its benzoate salt","Acta Crystallographica Section C","2013","69","6","674","678","10.1107/S0108270113012560","","","1.5418","CuKα","","0.0316","0.0297","","","0.0749","0.0759","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019004","9.2089","0.001","17.9875","0.0017","23.697","0.002","90","","90","","90","","3925.3","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl (2<i>S</i>)-2-[(3<i>S</i>,5a<i>S</i>,9a<i>S</i>,10a<i>S</i>)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3<i>H</i>-pyrazino[1,2-<i>a</i>]indol-2-yl]pentanoate","","- C19 H30 N2 O4 -","- C19 H30 N2 O4 -","- C152 H240 N16 O32 -","8","2","TP3019","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Remko, Milan","An orthorhombic polymorph of a cyclization product of perindopril","Acta Crystallographica Section C","2013","69","6","630","633","10.1107/S0108270113011025","","","1.54178","CuKα","","0.0712","0.0567","","","0.1281","0.1445","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019022","7.063","0.0002","10.3833","0.0005","14.8591","0.0007","90","","90","","90","","1089.73","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cysteamine tartrate(1-) monohydrate","","- C6 H15 N O7 S -","- C6 H15 N O7 S -","- C24 H60 N4 O28 S4 -","4","1","YP3029","Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme","Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid","Acta Crystallographica Section C","2013","69","6","658","664","10.1107/S0108270113012377","","","0.71073","MoKα","","0.051","0.0387","","","","0.0932","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019023","5.7281","0.0003","9.3699","0.0005","24.677","0.0014","90","","90","","90","","1324.46","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cystamine tartrate(2-)","","- C8 H18 N2 O6 S2 -","- C8 H18 N2 O6 S2 -","- C32 H72 N8 O24 S8 -","4","1","YP3029","Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme","Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid","Acta Crystallographica Section C","2013","69","6","658","664","10.1107/S0108270113012377","","","0.71073","MoKα","","0.0879","0.0601","","","","0.1393","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019024","7.3425","0.0005","10.5227","0.0008","26.983","0.002","90","","90","","90","","2084.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cystamine bis[tartrate(1-)] dihydrate","","- C12 H28 N2 O14 S2 -","- C12 H28 N2 O14 S2 -","- C48 H112 N8 O56 S8 -","4","1","YP3029","Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme","Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid","Acta Crystallographica Section C","2013","69","6","658","664","10.1107/S0108270113012377","","","0.71073","MoKα","","0.1259","0.0782","","","","0.1517","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019075","6.4621","0.0004","9.145","0.0005","20.2969","0.0012","90","","90","","90","","1199.46","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,7-Dideaza-2'-deoxy-6-nitronebularine","1-(2-Deoxy-β-<i>D</i>-<i>erythro</i>-pentofuranosyl)-4-nitro-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C48 H52 N12 O20 -","4","1","CU3032","Yang, Haozhe; Budow, Simone; Eickmeier, Henning; Reuter, Hans; Seela, Frank","1,7-Dideaza-2'-deoxy-6-nitronebularine: a pyrrolo[2,3-<i>b</i>]pyridine nucleoside with an intramolecular hydrogen bond stabilizing the <i>syn</i> conformation","Acta Crystallographica Section C","2013","69","8","892","895","10.1107/S0108270113016922","","","0.71073","MoKα","","0.0304","0.0291","","","0.0818","0.0835","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019121","15.1972","0.0011","15.787","0.0011","34.902","0.003","90","","90","","90","","8373.6","1.1","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Carbonyl[tris(3-<i>tert</i>-butylaminocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]copper(I) tetrahydrofuran hemisolvate","","- C30 H47 B Cu N9 O4.5 -","- C30 H47 B Cu N9 O4.5 -","- C240 H376 B8 Cu8 N72 O36 -","8","2","EG3122","Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.","Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands","Acta Crystallographica Section C","2013","69","9","947","953","10.1107/S0108270113015898","","","0.71073","MoKα","","0.0765","0.0499","","","0.1223","0.1351","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019124","5.6223","0.0009","8.2012","0.0012","33.573","0.005","90","","90","","90","","1548","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Norvalyl-L-phenylalanine","(<i>S</i>)-2-[(<i>S</i>)-2-Aminopentanamido]-3-phenylpropanoic acid dihydrate","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C56 H96 N8 O20 -","4","1","EG3133","Görbitz, Carl Henrik; Yadav, Vitthal N.","<i>N</i>-(<small>L</small>-2-Aminopentanoyl)-<small>L</small>-phenylalanine dihydrate, a hydrophobic dipeptide with a nonproteinogenic residue","Acta Crystallographica Section C","2013","69","9","1067","1069","10.1107/S0108270113021914","","","0.71073","MoKα","","0.0919","0.0697","","","0.1158","0.125","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019137","13.6822","0.0014","17.0621","0.0018","18.66","0.002","90","","90","","90","","4356.1","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tripp3PH + Cl O4 -","Tris(2,4,6-triisopropylphenyl)phosphonium perchlorate","","- C45 H70 Cl O4 P -","- C45 H70 Cl O4 P -","- C180 H280 Cl4 O16 P4 -","4","1","FN3145","Boeré, René T.; Zhang, Yuankui","A study of the pyramidality index in tris(2,4,6-triisopropylphenyl)phosphonium perchlorate","Acta Crystallographica Section C","2013","69","9","1051","1054","10.1107/S0108270113020647","","","0.71073","MoKα","","0.0654","0.0388","","","0.0864","0.0965","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019146","9.2589","0.0009","16.163","0.0014","16.8728","0.0017","90","","90","","90","","2525","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{1-[Bis(4-carboxy-3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-3,5-dimethyl-\ 1<i>H</i>-pyrazole-4-carboxylato}sodium dihydrate","","- C19 H25 N6 Na O8 -","- C19 H25 N6 Na O8 -","- C76 H100 N24 Na4 O32 -","4","1","YF3036","Alkorta, Ibon; Elguero, José; García, María Ángeles; López, Concepción; Claramunt, Rosa M.; Andrade, Gabriel A.; Yap, Glenn P. A.","A tris(pyrazol-1-yl)methane bearing carboxylic acid groups at position 4: {1-[bis(4-carboxy-3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-3,5-dimethyl-1<i>H</i>-pyrazole-4-carboxylato}sodium dihydrate","Acta Crystallographica Section C","2013","69","9","972","976","10.1107/S0108270113018969","","","1.54178","CuKα","","0.1984","0.1358","","","0.3387","0.3809","","","","","","1.449","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019164","9.5992","0.0015","16.361","0.003","16.927","0.002","90","","90","","90","","2658.4","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Zolmitriptan camphor sulfonate","Dimethyl(2-{5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1<i>H</i>-indol-3-yl}ethyl)azanium {2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl}methanesulfonate","","- C26 H37 N3 O6 S -","- C26 H37 N3 O6 S -","- C104 H148 N12 O24 S4 -","4","1","CU3036","Sridhar, Balasubramanian; Ravikumar, Krishnan; Hariharakrishnan, Venkatasubramanian","Zolmitriptan oxalate and zolmitriptan camphorsulfonate: the first structural study of salt complexes of the antimigraine drug zolmitriptan","Acta Crystallographica Section C","2013","69","10","1186","1191","10.1107/S0108270113024323","","","0.71073","MoKα","","0.0761","0.0618","","","0.1264","0.1324","","","","","","1.104","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019218","6.1954","0.0004","10.4543","0.0007","14.7654","0.0009","90","","90","","90","","956.33","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-6-aminopenicillanic acid","(2<i>S</i>,5<i>R</i>,6<i>R</i>)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","- C8 H12 N2 O3 S -","- C8 H12 N2 O3 S -","- C32 H48 N8 O12 S4 -","4","1","FM3006","Saouane, Sofiane; Buth, Gernot; Fabbiani, Francesca P. A.","Crystal structure and packing energy calculations of (+)-6-aminopenicillanic acid","Acta Crystallographica Section C","2013","69","11","1238","1242","10.1107/S0108270113025924","","","0.71075","synchrotron","","0.0331","0.0291","","","0.0716","0.0733","","","","","","1.052","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019221","4.828","0.0001","16.1865","0.0005","24.3327","0.0007","90","","90","","90","","1901.56","0.09","99.93","","99.93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4,4,4-Trifluoro-1-{4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butanone","","- C19 H19 F3 N4 O3 S -","- C19 H19 F3 N4 O3 S -","- C76 H76 F12 N16 O12 S4 -","4","1","FM3013","Tatum, Natalie J.; Villemagne, Baptiste; Willand, Nicolas; Deprez, Benoit; Liebeschuetz, John W.; Baulard, Alain R.; Pohl, Ehmke","Structural and docking studies of potent ethionamide boosters","Acta Crystallographica Section C","2013","69","11","1243","1250","10.1107/S0108270113028126","","","1.54188","CuKα","","0.0333","0.0298","","","0.0761","0.0788","","","","","","0.979","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019243","6.3744","0.001","11.961","0.002","21.041","0.003","90","","90","","90","","1604.3","0.4","92","2","92","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glabridin","4-[(3<i>R</i>)-8,8-Dimethyl-3,4-dihydro-2<i>H</i>-pyrano[2,3-<i>f</i>]chromen-3-yl]benzene-1,3-diol","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","LN3162","Simmler, Charlotte; Fronczek, Frank R.; Pauli, Guido F.; Santarsiero, Bernard D.","Absolute configuration of naturally occurring glabridin","Acta Crystallographica Section C","2013","69","11","1212","1216","10.1107/S0108270113018842","","","1.54184","CuKα","","0.0282","0.0255","","","0.0599","0.0614","","","","","","1.026","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019277","27.821","0.002","12.0939","0.0015","4.9917","0.0013","90","","90","","90","","1679.5","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<i>L</i>-glutamate","","- C15 H22 N2 O6 -","- C15 H22 N2 O6 -","- C60 H88 N8 O24 -","4","1","CU3043","Chernyshev, Vladimir V.; Efimov, Sergey Y.; Paseshnichenko, Ksenia A.; Shiryaev, Andrey A.","Two polymorphs of 2-ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<small>L</small>-glutamate from powder diffraction data","Acta Crystallographica Section C","2013","69","12","1549","1552","10.1107/S0108270113031557","powder diffraction","","1.5418","CuKα","","","","","","","","","","0.9824","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019303","9.7841","0.0005","12.3479","0.0007","13.8639","0.0005","90","","90","","90","","1674.94","0.14","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4,4-Dimethyl-8-methylene-3-azabicyclo[3.3.1]non-2-en-2-yl)(1<i>H</i>-indol-3-yl)methanone","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","KU3113","Paz, Cristian; Becerra, José; Silva, Mario; Freire, Eleonora; Baggio, Ricardo","A polymorphic form of 4,4-dimethyl-8-methylene-3-azabicyclo[3.3.1]non-2-en-2-yl 3-indolyl ketone, an indole alkaloid extracted from <i>Aristotelia chilensis</i> (maqui)","Acta Crystallographica Section C","2013","69","12","1509","1512","10.1107/S0108270113025523","","","0.71073","MoKα","","0.0803","0.0538","","","0.1213","0.1395","","","","","","1.019","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019310","5.7828","0.0004","20.7395","0.0014","29.4867","0.0019","90","","90","","90","","3536.4","0.4","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Lapatinb monotosylate","({5-[4-({3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]furan-2-yl}methyl)[2-(methylsulfonyl)ethyl]azanium 4-methylbenzenesulfonate","","- C36 H34 Cl F N4 O7 S2 -","- C36 H34 Cl F N4 O7 S2 -","- C144 H136 Cl4 F4 N16 O28 S8 -","4","1","OV3039","Ravikumar, K.; Sridhar, B.; Nanubolu, Jagadeesh Babu; Rao, A. K. S. Bhujanga; Jyothiprasad, R.","Tosylate salts of the anticancer drug lapatinib","Acta Crystallographica Section C","2013","69","12","1516","1523","10.1107/S0108270113028965","","","0.71073","MoKα","","0.0634","0.0568","","","0.1332","0.1373","","","","","","1.115","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019335","7.7228","0.0004","14.2576","0.0008","18.7153","0.001","90","","90","","90","","2060.72","0.19","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Z-17alpha-Propenyl-3,3-trimethylenedioxy-estr-5(10)-ene-17-ole","","- C24 H36 O3 -","- C24 H36 O3 -","- C96 H144 O12 -","4","1","CN5008","Dittrich, B.; Strumpel, M.; Schäfer, M.; Spackman, M. A.; Koritsánszky, T.","Invarioms for improved absolute structure determination of light-atom crystal structures","Acta Crystallographica Section A Foundations of Crystallography","2006","62","3","217","223","10.1107/S0108767306010336","","","1.54178","CuKα","","0.0497","0.0381","","","","0.0363","","","","","","1.2396","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019342","25.393","0.0004","34.7193","0.0003","25.7201","0.0004","90","","90","","90","","22675.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bq123","BQ123: cyclo(-D-Trp-D-Asp^-^-Pro-D-Val-Leu-).Na^+^ an endothelin-1 inhibitor","","- C35.22 H56.26 N6 Na2 O10.41 -","- C35.2225 H56.26 N6 Na O10.4075 -","- C563.56 H900.16 N96 Na16 O166.52 -","16","4","","Doi, Mitsunobu; Asano, Akiko; Ishida, Toshimasa; Katsuya, Yoshio; Mezaki, Yoshihiro; Sasaki, Masahiro; Terashima, Akira; Taniguchi, Taizo; Hasegawa, Hiroshi; Shiono, Masaaki","Caged and clustered structures of endothelin inhibitor BQ123, cyclo(-D-Trp-D-Asp−-Pro-D-Val-Leu-)χdotNa+, forming five and six coordination bonds between sodium ions and peptides","Acta Crystallographica Section D Biological Crystallography","2001","57","5","628","","10.1107/S0907444901002797","","","0.834","synchrotron","","0.0577","0.0576","","","0.1642","0.1642","","","","","","1.072","","","","has coordinates","283803","2023-05-16","08:05:52",""
"2019346","7.636","0.001","8.911","0.001","34.895","0.003","90","","90","","90","","2374.4","0.5","291","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C22 H39 N O6 S -","- C22 H39 N O6 S -","- C88 H156 N4 O24 S4 -","4","1","","Tinant, B.; Declercq, J. P.; Huart, C.","Absolute Configuration of N,N-{(1S)-1-[(1-Methoxy-1-methyl)ethyl]tetramethylene}(1R,6R,7R)-9,9-diethoxy-1-methyl-2-oxo-bicyclo[4.3.0]nonane-7-sulfonamide","Acta Crystallographica Section C Crystal Structure Communications","1995","51","4","678","","10.1107/S0108270194001678","","","1.54178","CuKα","","","0.058","","","0.067","","","","","0.59","0.59","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019352","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Madsen, Anders Østergaard; Sørensen, Henning Osholm; Flensburg, Claus; Stewart, Robert F.; Larsen, Sine","Modeling of the nuclear parameters for H atoms in X-ray charge-density studies","Acta Crystallographica Section A Foundations of Crystallography","2004","60","6","550","561","10.1107/S0108767304018306","","","0.71073","MoKα","","0.0151","","","","","0.0125","","","","","","0.646","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019362","15.9795","0.0009","21.8889","0.0013","26.8095","0.0018","90","","90","","90","","9377.3","1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","B12r","","","- C70 H76.5 Co D33.5 N13 O23.5 P -","- C66.176 H105.862 Co N13 O21.912 P -","- C264.704 H423.448 Co4 N52 O87.648 P4 -","4","1","TM5035","Jogl, Gerwald; Wang, Xiaoping; Mason, Sax A.; Kovalevsky, Andrey; Mustyakimov, Marat; Fisher, Zöe; Hoffman, Christina; Kratky, Christoph; Langan, Paul","High-resolution neutron crystallographic studies of the hydration of the coenzyme cob(II)alamin","Acta Crystallographica Section D Biological Crystallography","2011","67","6","584","591","10.1107/S090744491101496X","","neutron","1.53798","neutron","","0.1231","0.0923","","","0.2363","0.2612","","","","","","1.054","","","","has coordinates,has disorder","209447","2020-10-21","18:00:00",""
"2019363","6.937","0.002","15.32","0.002","23.423","0.003","90","","90","","90","","2489.3","0.8","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O7 -","- C27 H27 N O7 -","- C108 H108 N4 O28 -","4","1","","Swamy, G. Y. S. K.; Ravikumar, K.; Rama Rao, A. V.; Gurjar, M. K.; Ramadevi, T.","An Oxazolidinone Derivative of D-Furanose","Acta Crystallographica Section C Crystal Structure Communications","1995","51","3","426","","10.1107/S0108270194003732","","","0.71063","MoKα","","","0.049","","","0.056","","","","","0.923","0.923","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019399","6.7443","0.0013","9.005","0.0018","15.224","0.003","90","","90","","90","","924.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[trimethylsulfonium [cadmium(II)-tri-μ-chlorido]]","","- C3 H9 Cd Cl3 S -","- C3 H9 Cd Cl3 S -","- C12 H36 Cd4 Cl12 S4 -","4","1","KU3119","Liu, Ming-Liang; Kong, Li-Hui","Two novel trimethylsulfonium salts with polymeric {[SbCl~4~]^{-^}}~<i>n~</i> or {[CdCl~3~]^{-^}}~<i>n~</i> anions","Acta Crystallographica Section C","2014","70","2","169","172","10.1107/S2053229613034207","","","0.71073","MoKα","","0.0313","0.0293","","","0.0754","0.0768","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019405","9.446","0.0017","11.0868","0.0018","15.8195","0.0016","90","","90","","90","","1656.7","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(3,4,5-trimethoxybenzyl)naphthalen-1-amine","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","SF3215","Garay, Alexander; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Comparison of <i>N</i>-(3,4,5-trimethoxybenzylidene)naphthalen-1-amine and its reduction product <i>N</i>-(3,4,5-trimethoxybenzyl)naphthalen-1-amine","Acta Crystallographica Section C","2014","70","2","210","215","10.1107/S2053229613034839","","","0.71073","MoKα","","0.0592","0.0416","","","0.0935","0.1047","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019428","6.2801","0.0019","13.845","0.004","17.478","0.005","90","","90","","90","","1519.7","0.8","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentacerium dilithium heptastannide","","- Ce5 Li1.97 Sn7.03 -","- Ce5 Li1.9731 Sn7.0269 -","- Ce20 Li7.8924 Sn28.1076 -","4","1","KU3114","Makongo, Julien P. A.; Bobev, Svilen","The series <i>RE</i>~5~Li~2~Sn~7~ (<i>RE</i> = Ce, Pr, Nd, Sm) revisited: crystal structure of <i>RE</i>~5~Li~2{-~<i>x</i>}Sn~7+<i>x~</i> [0 {łeq} <i>x</i> {łeq} 0.03(1)]","Acta Crystallographica Section C","2014","70","1","2","6","10.1107/S2053229613029604","","","0.71073","MoKα","","0.0295","0.0233","","","0.0415","0.0423","","","","","","0.955","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019429","6.2415","0.0017","13.758","0.004","17.379","0.005","90","","90","","90","","1492.3","0.7","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentapreseodymium dilithium heptastannide","","- Li1.98 Pr5 Sn7.02 -","- Li1.9796 Pr5 Sn7.0204 -","- Li7.9184 Pr20 Sn28.0816 -","4","1","KU3114","Makongo, Julien P. A.; Bobev, Svilen","The series <i>RE</i>~5~Li~2~Sn~7~ (<i>RE</i> = Ce, Pr, Nd, Sm) revisited: crystal structure of <i>RE</i>~5~Li~2{-~<i>x</i>}Sn~7+<i>x~</i> [0 {łeq} <i>x</i> {łeq} 0.03(1)]","Acta Crystallographica Section C","2014","70","1","2","6","10.1107/S2053229613029604","","","0.71073","MoKα","","0.02","0.0194","","","0.045","0.0453","","","","","","1.096","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019430","6.2109","0.0006","13.6894","0.0014","17.2868","0.0017","90","","90","","90","","1469.8","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentaneodymium dilithium heptastannide","","- Li1.99 Nd5 Sn7.01 -","- Li1.994 Nd5 Sn7.006 -","- Li7.976 Nd20 Sn28.024 -","4","1","KU3114","Makongo, Julien P. A.; Bobev, Svilen","The series <i>RE</i>~5~Li~2~Sn~7~ (<i>RE</i> = Ce, Pr, Nd, Sm) revisited: crystal structure of <i>RE</i>~5~Li~2{-~<i>x</i>}Sn~7+<i>x~</i> [0 {łeq} <i>x</i> {łeq} 0.03(1)]","Acta Crystallographica Section C","2014","70","1","2","6","10.1107/S2053229613029604","","","0.71073","MoKα","","0.0273","0.0247","","","0.0578","0.0589","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019431","6.1666","0.0019","13.556","0.004","17.141","0.005","90","","90","","90","","1432.9","0.7","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pentasamarium dilithium heptastannide","","- Li2 Sm5 Sn7 -","- Li2 Sm5 Sn7 -","- Li8 Sm20 Sn28 -","4","1","KU3114","Makongo, Julien P. A.; Bobev, Svilen","The series <i>RE</i>~5~Li~2~Sn~7~ (<i>RE</i> = Ce, Pr, Nd, Sm) revisited: crystal structure of <i>RE</i>~5~Li~2{-~<i>x</i>}Sn~7+<i>x~</i> [0 {łeq} <i>x</i> {łeq} 0.03(1)]","Acta Crystallographica Section C","2014","70","1","2","6","10.1107/S2053229613029604","","","0.71073","MoKα","","0.0295","0.0233","","","0.0396","0.0406","","","","","","0.978","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019449","6.8549","0.0006","11.4483","0.0012","13.1369","0.0014","90","","90","","90","","1030.94","0.18","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>*,4<i>S</i>*)-Methyl 2,3,4,5-tetrahydro-1,4-epoxy-1<i>H</i>-benz[<i>b</i>]azepine-2-carboxylate","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","SK3540","Guerrero, Sergio A.; Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four related benzazepine derivatives in a reaction pathway leading to a benzazepine carboxylic acid: hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2014","70","4","408","415","10.1107/S2053229614006007","","","0.71073","MoKα","","0.0682","0.0429","","","0.0744","0.0832","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019450","6.2528","0.0013","10.758","0.003","15.927","0.005","90","","90","","90","","1071.4","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>*,4<i>S</i>*)-Methyl 4-hydroxy-2,3,4,5-tetrahydro-1<i>H</i>-benz[<i>b</i>]azepine-2-carboxylate","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","SK3540","Guerrero, Sergio A.; Sanabría, Carlos M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Four related benzazepine derivatives in a reaction pathway leading to a benzazepine carboxylic acid: hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2014","70","4","408","415","10.1107/S2053229614006007","","","0.71073","MoKα","","0.0954","0.0693","","","0.1719","0.1865","","","","","","1.192","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019459","6.7097","0.0009","6.8447","0.0009","23.948","0.004","90","","90","","90","","1099.8","0.3","145","2","145","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1'-(4-Chlorophenyl)-1'-deoxy-β-<i>D</i>-ribofuranose","","- C11 H13 Cl O4 -","- C11 H13 Cl O4 -","- C44 H52 Cl4 O16 -","4","1","EG3152","Bats, Jan W.; Živković, Aleksandra; Parsch, Jörg; Engels, Joachim W.","Three different fluoro- or chloro-substituted 1'-deoxy-1'-phenyl-β-<small>D</small>-ribofuranoses","Acta Crystallographica Section C","2014","70","4","400","404","10.1107/S2053229614004999","","","0.71073","MoKα","","0.0552","0.0399","","","0.085","0.0914","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019460","5.6649","0.0011","14.196","0.003","19.148","0.004","90","","90","","90","","1539.9","0.5","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","poly[(μ~5~-4-{[(1-carboxylato-2-phenylethyl)amino]methyl}benzoato)zinc(II)]","","- C17 H15 N O4 Zn -","- C17 H15 N O4 Zn -","- C68 H60 N4 O16 Zn4 -","4","1","QS3037","Ying, Shao-Ming; Huang, Xiao-Hui; Luo, Wu-Kui; Xiao, Yan-Chun","Synthesis, crystal structures and characterizations of two homochiral coordination polymers based on a chiral reduced Schiff base ligand","Acta Crystallographica Section C","2014","70","4","375","378","10.1107/S2053229614005762","","","0.71073","MoKα","","0.0755","0.0516","","","0.0714","0.078","","","","","","0.835","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019461","5.6619","0.0015","14.198","0.004","19.18","0.005","90","","90","","90","","1541.8","0.7","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(μ~5~-4-{[(1-carboxylato-2-phenylethyl)amino]methyl}benzoato)cobalt(II)]","","- C17 H15 Co N O4 -","- C17 H15 Co N O4 -","- C68 H60 Co4 N4 O16 -","4","1","QS3037","Ying, Shao-Ming; Huang, Xiao-Hui; Luo, Wu-Kui; Xiao, Yan-Chun","Synthesis, crystal structures and characterizations of two homochiral coordination polymers based on a chiral reduced Schiff base ligand","Acta Crystallographica Section C","2014","70","4","375","378","10.1107/S2053229614005762","","","0.71073","MoKα","","0.095","0.0773","","","0.1611","0.1742","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019462","9.373","0.0019","17.032","0.003","19.032","0.004","90","","90","","90","","3038.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-benzyloxycarbonyl-α-aminoisobutyryl-α-aminoisobutyryl-α-aminoisobutyryl-<i>L</i>-alanine <i>tert</i>-butyl ester","","- C27 H42 N4 O7 -","- C27 H42 N4 O7 -","- C108 H168 N16 O28 -","4","1","EG3150","Gessmann, Renate; Brückner, Hans; Petratos, Kyriacos","The peptide <i>Z</i>-Aib-Aib-Aib-<small>L</small>-Ala-OtBu","Acta Crystallographica Section C","2014","70","4","405","407","10.1107/S2053229614005567","","","1.54184","CuKα","","0.049","0.0437","","","0.1355","0.1421","","","","","","1.16","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019470","13.342","0.007","5.853","0.003","15.404","0.008","90","","90","","90","","1202.9","1.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[bis[(<i>S</i>)-2-methylpiperazine-1,4-diium] [bis[trichloridocadmium(II)]-di-μ~3~-chlorido]]","","- C5 H14 Cd Cl4 N2 -","- C5 H14 Cd Cl4 N2 -","- C20 H56 Cd4 Cl16 N8 -","4","1","WQ3059","Wu, De-Hong","A one-dimensional ladder-like six-coordinate cadmium polymer: <i>catena</i>-poly[bis[(<i>S</i>)-2-methylpiperazine-1,4-diium] [bis[trichloridocadmium(II)]-di-μ~3~-chlorido]]","Acta Crystallographica Section C","2014","70","5","445","448","10.1107/S205322961400655X","","","0.71073","MoKα","","0.0261","0.0227","","","0.0472","0.0478","","","","","","1.014","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2019498","5.805","0.0005","10.0561","0.0008","15.3077","0.0011","90","","90","","90","","893.6","0.12","200","1","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ammonium 3,5-dinitrobenzoate","Ammonium 3,5-dinitrobenzoate","","- C7 H7 N3 O6 -","- C7 H7 N3 O6 -","- C28 H28 N12 O24 -","4","1","KY3047","Smith, Graham","Hydrogen-bonded two- and three-dimensional polymeric structures in the ammonium salts of 3,5-dinitrobenzoic acid, 4-nitrobenzoic acid and 2,4-dichlorobenzoic acid","Acta Crystallographica Section C","2014","70","3","315","319","10.1107/S2053229614002459","","","0.71073","MoKα","","0.0547","0.0437","","","0.0949","0.1009","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019551","8.0043","0.0001","15.5208","0.0004","19.4586","0.0004","90","","90","","90","","2417.4","0.09","115","0.1","115","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Potassium 2,3-dichlorophenylglucosinolate‒ethanol‒methanol (1/1/1)","","- C16 H24 Cl2 K N O11 S2 -","- C16 H24 Cl2 K N O11 S2 -","- C64 H96 Cl8 K4 N4 O44 S8 -","4","1","","Vo, Quan V.; Trenerry, Craige; Rochfort, Simone; White, Jonathan; Hughes, Andrew B.","Preparation and X-ray analysis of potassium (2,3-dichlorophenyl)glucosinolate","Acta Crystallographica Section C","2014","70","6","588","594","10.1107/S2053229614009115","","","1.5418","CuKα","","0.0573","0.0536","","","0.1413","0.1458","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019590","4.79","0.0008","7.7306","0.0012","24.562","0.004","90","","90","","90","","909.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Poly[(μ~5~-3-carboxybenzene-1,2-dicarboxylato)lead(II)]","","- C9 H4 O6 Pb -","- C9 H4 O6 Pb -","- C36 H16 O24 Pb4 -","4","1","YP3068","Cheng, Shao-Min; Wang, Xian-Fei; Yang, Fang; Chen, Hang; Liu, Wen-Long","Poly[(μ~5~-3-carboxybenzene-1,2-dicarboxylato)lead(II)]: a helical lead(II) coordination polymer","Acta Crystallographica Section C","2014","70","7","693","696","10.1107/S2053229614013667","","","0.71073","MoKα","","0.0354","0.0296","","","0.0526","0.0548","","","","","","0.947","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019591","3.7492","0.0006","10.2864","0.0019","17.238","0.003","90","","90","","90","","664.8","0.2","199","2","199","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-nitro-o-phenylenediamine","4-Nitrobenzene-1,2-diamine","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","SK3544","Geiger, David K.; Parsons, Dylan E.","Hydrogen bonding in 4-nitrobenzene-1,2-diamine and two hydrohalide salts","Acta Crystallographica Section C","2014","70","7","681","688","10.1107/S2053229614013485","","","0.71073","MoKa","","0.0374","0.0301","","","0.0684","0.0721","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019615","3.74","0.008","17.42","0.04","22.18","0.05","90","","90","","90","","1445","6","100","","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Chloro-<i>N</i>-(2-chloro-4-nitrophenyl)-2-hydroxybenzenecarboxamide","","- C14 H12 Cl2 N2 O5 -","- C14 H12 Cl2 N2 O5 -","- C56 H48 Cl8 N8 O20 -","4","1","FA3349","Harriss, Bethany I.; Wilson, Claire; Radosavljevic Evans, Ivana","Niclosamide methanol solvate and niclosamide hydrate: structure, solvent inclusion mode and implications for properties","Acta Crystallographica Section C","2014","70","8","","","10.1107/S2053229614015496","","","0.6889","","","0.118","0.0952","","0.1071","0.1029","0.1029","","","","","","1.1948","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019638","7.956","0.0004","10.371","0.0005","13.8612","0.0006","90","","90","","90","","1143.71","0.09","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-6-Oxo-1-(thiophen-3-ylmethyl)piperidine-2-carboxylic acid","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","CU3059","Vrábel, Viktor; Sivý, Július; Šafář, Peter; Marchalín, Štefan","Electronic structure, novel synthesis, and O—H···O and C—H···O interactions in two 6-oxopiperidine-2-carboxylic acid derivatives","Acta Crystallographica Section C","2014","70","8","817","822","10.1107/S2053229614016301","","","0.71073","MoKα","","0.0337","0.0292","","","0.0735","0.077","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019643","9.3905","0.0002","19.108","0.0003","28.0829","0.0005","90","","90","","90","","5039.02","0.16","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Betulonic aldehyde, betulonal","Lup-20(29)-en-28-al-3-one","","- C30 H46 O2 -","- C30 H46 O2 -","- C240 H368 O16 -","8","2","KU3132","Chrobak, Elwira; Michalik, Ewa; Kusz, Joachim; Nowak, Maria; Boryczka, Stanisław","Polymorphic forms of lupane triterpenoid betulonic aldehyde (betulonal)","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017379","","","0.71073","MoKα","","0.0417","0.038","","","0.0958","0.0981","","","","","","1.017","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019644","10.3987","0.0002","13.8559","0.0003","17.1632","0.0002","90","","90","","90","","2472.93","0.08","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Betulonic aldehyde, betulonal","Lup-20(29)-en-28-al-3-one","","- C30 H46 O2 -","- C30 H46 O2 -","- C120 H184 O8 -","4","1","KU3132","Chrobak, Elwira; Michalik, Ewa; Kusz, Joachim; Nowak, Maria; Boryczka, Stanisław","Polymorphic forms of lupane triterpenoid betulonic aldehyde (betulonal)","Acta Crystallographica Section C","2014","70","9","","","10.1107/S2053229614017379","","","0.71073","MoKα","","0.038","0.0358","","","0.0919","0.0938","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019663","7.4541","0.0015","9.4918","0.0019","9.7287","0.0019","90","","90","","90","","688.3","0.2","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-L-Ala","Glycyl-<i>L</i>-alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Capelli, Silvia C.; Bürgi, Hans-Beat; Mason, Sax A.; Jayatilaka, Dylan","Glycyl-<small>L</small>-alanine: a multi-temperature neutron study","Acta Crystallographica Section C","2014","70","10","949","952","10.1107/S2053229614019809","","","0.8313","","","0.0634","0.0482","","","0.0958","0.1064","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019664","7.4587","0.0007","9.4928","0.0009","9.725","0.0009","90","","90","","90","","688.57","0.11","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-L-Ala","Glycyl-<i>L</i>-alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Capelli, Silvia C.; Bürgi, Hans-Beat; Mason, Sax A.; Jayatilaka, Dylan","Glycyl-<small>L</small>-alanine: a multi-temperature neutron study","Acta Crystallographica Section C","2014","70","10","949","952","10.1107/S2053229614019809","","","0.8313","","","0.0519","0.0416","","","0.0798","0.0841","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019665","7.4871","0.0016","9.4966","0.0019","9.7078","0.0019","90","","90","","90","","690.2","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-L-Ala","Glycyl-<i>L</i>-alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Capelli, Silvia C.; Bürgi, Hans-Beat; Mason, Sax A.; Jayatilaka, Dylan","Glycyl-<small>L</small>-alanine: a multi-temperature neutron study","Acta Crystallographica Section C","2014","70","10","949","952","10.1107/S2053229614019809","","","0.8313","","","0.0591","0.0446","","","0.0754","0.0807","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019666","7.5302","0.0011","9.5115","0.0016","9.6855","0.0014","90","","90","","90","","693.71","0.18","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-L-Ala","Glycyl-<i>L</i>-alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Capelli, Silvia C.; Bürgi, Hans-Beat; Mason, Sax A.; Jayatilaka, Dylan","Glycyl-<small>L</small>-alanine: a multi-temperature neutron study","Acta Crystallographica Section C","2014","70","10","949","952","10.1107/S2053229614019809","","","0.8313","","","0.0901","0.061","","","0.0913","0.1019","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019722","5.0104","0.0003","13.0418","0.0007","20.861","0.0009","90","","90","","90","","1363.15","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Amino-5-cyclopropyl-7-(2-deoxy-β-<i>D</i>-<i>erythro</i>-pentofuranosyl)-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine","","- C14 H18 N4 O3 -","- C14 H18 N4 O3 -","- C56 H72 N16 O12 -","4","1","FN3183","Yang, Haozhe; Budow-Busse, Simone; Eickmeier, Henning; Reuter, Hans; Seela, Frank","7-Cyclopropyl-2'-deoxytubercidin: a carbocyclic side-chain derivative of 7-deaza-2'-deoxyadenosine","Acta Crystallographica Section C","2014","70","12","","","10.1107/S205322961402378X","","","0.71073","MoKα","","0.0467","0.0402","","","0.0938","0.0978","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019742","5.9725","0.0001","17.0935","0.0002","22.8179","0.0003","90","","90","","90","","2329.5","0.06","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-(Ethane-1,2-diyl)bis[(2-methylphenyl)phenylphosphane]","","- C28 H28 P2 -","- C28 H28 P2 -","- C112 H112 P8 -","4","1","KU3144","Bendzińska-Berus, Wioletta; Kaik-King, Magdalena; King, Gary; Rychlewska, Urszula","An enantiomerically pure P-stereogenic bisphosphine: (<i>S</i>,<i>S</i>)-ethylenebis[(2-methylphenyl)phenylphosphine] (<i>o</i>-tolyl-DiPAMP)","Acta Crystallographica Section C","2014","70","12","1174","1177","10.1107/S205322961402542X","","","1.54178","CuKα","","0.0344","0.0337","","","0.0902","0.0909","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019743","6.335","0.004","13.399","0.005","16.613","0.005","90","","90","","90","","1410.2","1.1","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Dendocarbin A","(1<i>R</i>,5a<i>S</i>,9a<i>S</i>,9b<i>R</i>)-5,5a,6,7,8,9,9a,9b-Octahydro-1-hydroxy-6,6,9a-trimethylnaphtho[1,2-c]furan-3(1H)-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","DT3028","Paz Robles, Cristian; Burgos, Viviana; Suarez, Sebastián; Baggio, Ricardo","Dendocarbin A: a sesquiterpene lactone from <i>Drimys winteri</i>","Acta Crystallographica Section C","2014","70","11","1007","1010","10.1107/S205322961402155X","","","0.71069","MoKα","","0.1063","0.0554","","","0.1085","0.1327","","","","","","0.985","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019758","10.5046","0.0004","11.1534","0.0004","17.5193","0.0006","90","","90","","90","","2052.6","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-(pyrrolidin-1-ium-1-yl)pentan-1-one tetrachloridoaurate","","- C16 H22 Au Cl4 N O3 -","- C16 H22 Au Cl4 N O3 -","- C64 H88 Au4 Cl16 N4 O12 -","4","1","","Wood, Matthew R.; Lalancette, Roger A.; Bernal, Ivan","Crystallographic investigations of select cathinones: emerging illicit street drugs known as `bath salts'","Acta Crystallographica Section C","2015","71","1","","","10.1107/S2053229614025637","","","1.54178","CuKα","","0.0403","0.0393","","","0.0953","0.0959","","","","","","1.078","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019788","10.4215","0.0004","10.5323","0.0004","22.2477","0.001","90","","90","","90","","2441.96","0.17","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[[(acetato-κ^2^<i>O</i>,<i>O</i>'){μ~3~-<i>N</i>'-[1-(pyrazin-2-yl-κ^2^<i>N</i>^1^:<i>N</i>^4^)ethylidene]nicotinohydrazidato-κ^3^<i>N</i>',<i>O</i>:<i>N</i>^1^}cadmium(II)] chloroform disolvate]","","- C16 H15 Cd Cl6 N5 O3 -","- C16 H15 Cd Cl6 N5 O3 -","- C64 H60 Cd4 Cl24 N20 O12 -","4","1","KU3143","Liu, Yan-Fei; Liu, Ya-Ping; Zhang, Ke-Ke; Ren, Qing-Ling; Qin, Jie","Mononuclear and three-dimensional metal complexes based on a multidentate hydrazone ligand","Acta Crystallographica Section C","2015","71","2","","","10.1107/S2053229615000698","","","0.71073","MoKα","","0.0239","0.0221","","","0.0524","0.0534","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019817","6.2897","0.0001","17.0161","0.0003","15.3522","0.0003","90","","90","","90","","1643.09","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Isocyano-4-methylphenyl diphenylacetate","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","CU3073","Boyarskaya, Dina; Avdontceva, Margarita; Chulkova, Tatiana","Synthesis and crystal structure of 2-isocyano-4-methylphenyl diphenylacetate: a rare case of an easily accessible odourless isocyanide","Acta Crystallographica Section C Structural Chemistry","2015","71","2","155","","10.1107/S2053229615001588","","","1.54184","CuKα","","0.0485","0.0466","","","0.1143","0.1157","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019836","7.518","0.0005","9.7274","0.0005","30.2035","0.0015","90","","90","","90","","2208.8","0.2","283","2","283","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(3<i>S</i>)-3-Acetoxy-17-(pyridin-3-yl)androsta-5,16-diene","(3<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>S</i>)-10,13-Dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl acetate","","- C26 H33 N O2 -","- C26 H33 N O2 -","- C104 H132 N4 O8 -","4","1","HB7357","Zhou, Shengjun; Huang, Huaqi; Huang, Rongbin","Crystal structure of (3S)-3-acetoxy-17-(pyridin-3-yl)androsta-5,16-diene","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o146","","10.1107/S2056989015001966","","","0.71073","MoKα","","0.0789","0.0558","","","0.1162","0.1282","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019858","7.432","0.0003","11.9278","0.0003","15.3152","0.0006","90","","90","","90","","1357.65","0.08","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4a,8-Trimethyldodecahydroazuleno[6,5-<i>b</i>]furan-2,5-dione","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Beghidja, Noureddine; Benayache, Samir; Benayache, Fadila; Knight, David W.; Kariuki, Benson M.","Crystal structure of pseudoguainolide","Acta Crystallographica Section E Crystallographic Communications","2015","71","3","o162","","10.1107/S2056989015002510","","","0.71073","MoKα","","0.0637","0.0474","","","0.099","0.107","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019865","14.7029","0.0012","16.6256","0.0014","18.8428","0.0015","90","","90","","90","","4606","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7,10-Bis-<i>O</i>-(2,2,2-trichloroethoxycarbonyl)-10-deacetyl baccatin III‒ethyl acetate‒water (1/1/1)","","- C39 H48 Cl6 O17 -","- C39 H48 Cl6 O17 -","- C156 H192 Cl24 O68 -","4","1","QS3041","Wang, Li; Li, Ya-jun; Li, Zheng-wei","Towards validating new enzymatic routes for synthetic conversion: 7,10-bis-<i>O</i>-(2,2,2-trichloroethoxycarbonyl)-10-deacetyl baccatin III‒ethyl acetate‒water (1/1/1)","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229614027399","","","0.71073","MoKα","","0.0895","0.0527","","","0.0998","0.1152","","","","","","0.982","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019870","6.8001","0.0001","8.8015","0.0002","17.4805","0.0003","90","","90","","90","","1046.23","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","captopril","(2<i>S</i>)-1-[(2<i>S</i>)-2-Methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","WQ3085","Bojarska, Joanna; Maniukiewicz, Waldemar; Fruziński, Andrzej; Sieroń, Lesław; Remko, Milan","Captopril and its dimer captopril disulfide: comparative structural and conformational studies","Acta Crystallographica Section C","2015","71","3","","","10.1107/S2053229615002582","","","1.54178","CuKα","","0.0195","0.0195","","","0.052","0.052","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019890","6.90225","0.00016","7.13","0.00016","25.4692","0.0005","90","","90","","90","","1253.42","0.05","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1-(1,3-Benzodioxol-5-yl)-1-oxopropan-2-yl]ethanaminium chloride","","- C12 H16 Cl N O3 -","- C12 H16 Cl N O3 -","- C48 H64 Cl4 N4 O12 -","4","1","SK3581","Cameron, T. Stanley; Grossert, J. Stuart; Maheux, Chad R.; Alarcon, Idralyn Q.; Copeland, Catherine R.; Linden, Anthony","Inversion twinning in a second polymorph of the hydrochloride salt of the recreational drug ethylone","Acta Crystallographica Section C","2015","71","4","","","10.1107/S2053229615004295","","","1.54184","CuKα","","0.0697","0.0667","","","0.1772","0.18","","","","","","1.113","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019946","6.223","0.001","7.178","0.002","19.732","0.005","90","","90","","90","","881.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(Imino-λ^4^-sulfanylidene)[(4-methylphenyl)sulfanyl]amine","4-(4-Methylphenyl)-1,3-diaza-2,4-dithiabuta-1,2-diene","","- C7 H8 N2 S2 -","- C7 H8 N2 S2 -","- C28 H32 N8 S8 -","4","1","QS3045","Jones, Ray","The structure of the first stable monosubstituted sulfur diimide","Acta Crystallographica Section C","2015","71","6","","","10.1107/S2053229615008645","","","1.54178","CuKα","","0.0407","0.0373","","","0.0626","0.0651","","","","","","0.996","","","","has coordinates,has Fobs","136366","2020-10-21","18:00:00",""
"2019967","7.787","0.0003","8.1899","0.0002","22.0975","0.0006","90","","90","","90","","1409.26","0.07","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3S)-5,7,9,9-tetramethyl-3-(propan-2-yl)-2H,3H,9H-1,8,4λ^4^,\ λ^5^-[1,3λ^4^,2λ^5^]oxazasilolo[2,3-b][1,3λ^4^,2λ^5^]oxazasilin-2-one","Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)","","- C12 H21 N O3 Si -","- C12 H21 N O3 Si -","- C48 H84 N4 O12 Si4 -","4","1","EG3182","Schwarzer, Anke; Fels, Sabine; Böhme, Uwe","Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand","Acta Crystallographica Section C","2015","71","6","511","516","10.1107/S2053229615009778","","","0.71073","MoKα","","0.0527","0.0472","","","0.1122","0.1163","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","137549","2020-10-21","18:00:00",""
"2019969","22.9355","0.0007","8.1571","0.0002","22.123","0.0005","90","","90","","90","","4138.93","0.19","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl[<i>N</i>-(4-oxidopent-3-en-2-ylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']silicon(II)","","- C12 H21 N O3 Si -","- C12 H21 N O3 Si -","- C144 H252 N12 O36 Si12 -","12","3","EG3182","Schwarzer, Anke; Fels, Sabine; Böhme, Uwe","Two reversible enantiotropic phase transitions in a pentacoordinate silicon complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate valinate ligand","Acta Crystallographica Section C","2015","71","6","511","516","10.1107/S2053229615009778","","","0.71073","MoKα","","0.0521","0.0426","","","0.0963","0.1035","","","","","","1.111","","","","has coordinates,has Fobs","137549","2020-10-21","18:00:00",""
"2019978","7.6296","0.0003","7.8839","0.0003","18.1151","0.0008","90","","90","","90","","1089.64","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[bis(μ~2~-pyrimidine-2-thiolato-κ^4^<i>N</i>^1^,<i>S</i>:<i>S</i>,<i>N</i>^3^)lead(II)]","","- C8 H6 N4 Pb S2 -","- C8 H6 N4 Pb S2 -","- C32 H24 N16 Pb4 S8 -","4","1","SK3588","Schwade, Vania Denise; Lang, Ernesto Schulz; Floriano, Luana","A three-dimensional metal‒organic polymer: poly[bis(μ2-pyrimidine-2-thiolato-κ4N1,S:S,N3)lead(II)]","Acta Crystallographica Section C Structural Chemistry","2015","71","7","1","","10.1107/S2053229615010359","","","0.71073","MoKα","","0.0242","0.0206","","","0.0455","0.0475","","","","","","0.687","","","","has coordinates,has Fobs","139184","2020-10-21","18:00:00",""
"2020006","6.479","0.0004","7.6577","0.0004","30.7746","0.0019","90","","90","","90","","1526.86","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(μ-<i>N</i>-benzyl-<i>L</i>-leucinato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>)(μ-formato-κ^2^<i>O</i>:<i>O</i>')zinc(II)],","","- C14 H19 N O4 Zn -","- C14 H19 N O4 Zn -","- C56 H76 N4 O16 Zn4 -","4","1","QS3048","Ying, Shao-Ming; Ru, Jing-Jing; Luo, Wu-Kui","Hydrothermal synthesis, crystal structure and photoluminescence of two homochiral zinc(II) coordination polymers","Acta Crystallographica Section C","2015","71","7","618","622","10.1107/S2053229615012115","","","0.71073","MoKα","","0.0739","0.0689","","","0.1315","0.135","","","","","","1.166","","","","has coordinates,has Fobs","139728","2020-10-21","18:00:00",""
"2020082","10.0302","0.0003","10.6172","0.0003","16.2428","0.0006","90","","90","","90","","1729.74","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(trimethylsilyl)-1<i>H</i>-benzimidazole-2(<i>3H</i>)-thione","","- C13 H22 N2 S Si2 -","- C13 H22 N2 S Si2 -","- C52 H88 N8 S4 Si8 -","4","1","FN3201","Palomo-Molina, Juliana; García-Báez, Efrén V.; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel","Aminosilanes derived from 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2015","71","9","","","10.1107/S2053229615014503","","","0.71073","MoKα","","0.0975","0.0479","","","0.0883","0.1041","","","","","","1.012","","","","has coordinates,has Fobs","153366","2020-10-21","18:00:00",""
"2020096","5.4126","0.0002","12.7656","0.0005","22.6827","0.0008","90","","90","","90","","1567.26","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2-chlorophenyl)-2-phthalimidoethanesulfonamide","","- C16 H13 Cl N2 O4 S -","- C16 H13 Cl N2 O4 S -","- C64 H52 Cl4 N8 O16 S4 -","4","1","WQ3094","Köktaş Koca, Serap; Sevinçek, Resul; Akgül, Özlem; Aygün, Muhittin","Positional isomeric effect on the crystallization of chlorine-substituted <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2015","71","9","839","843","10.1107/S2053229615015223","","","0.71073","MoKα","","0.0479","0.0368","","","0.0746","0.0817","","","","","","1.06","","","","has coordinates,has Fobs","153743","2020-10-21","18:00:00",""
"2020131","8.3337","0.0007","8.6333","0.0007","24.7075","0.0019","90","","90","","90","","1777.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-cyano-5-(4-methoxyphenyl)-5-oxo-3-(piperidin-1-yl)pent-2-enoate","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Kamal, Kulsoom; Maurya, Hardesh K.; Gupta, Atul; Vasudev, Prema G.","Crystal structures of four δ-keto esters and a Cambridge Structural Database analysis of cyano‒halogen interactions","Acta Crystallographica Section C","2015","71","10","921","928","10.1107/S2053229615017106","","","0.71073","MoKα","","0.0809","0.0472","","","0.0976","0.1096","","","","","","1.013","","","","has coordinates,has Fobs","159067","2020-10-21","18:00:00",""
"2020132","4.952","0.0003","13.6151","0.0007","25.8916","0.0015","90","","90","","90","","1745.66","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 5-(4-chlorophenyl)-2-cyano-5-oxo-3-(piperidin-1-yl)pent-2-enoate","","- C19 H21 Cl N2 O3 -","- C19 H21 Cl N2 O3 -","- C76 H84 Cl4 N8 O12 -","4","1","","Kamal, Kulsoom; Maurya, Hardesh K.; Gupta, Atul; Vasudev, Prema G.","Crystal structures of four δ-keto esters and a Cambridge Structural Database analysis of cyano‒halogen interactions","Acta Crystallographica Section C","2015","71","10","921","928","10.1107/S2053229615017106","","","0.71073","MoKα","","0.0405","0.0336","","","0.0808","0.0841","","","","","","1.009","","","","has coordinates,has Fobs","159067","2020-10-21","18:00:00",""
"2020207","8.88472","0.00016","12.2592","0.0002","23.7676","0.0007","90","","90","","90","","2588.76","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","raffinose pentahydrate","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose pentahydrate","","- C18 H42 O21 -","- C18 H42 O21 -","- C72 H168 O84 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0343","0.0321","","","0.0768","0.0785","","","","","","1.078","","","","has coordinates,has Fobs","167922","2020-10-21","18:00:00",""
"2020208","8.91348","0.00016","12.2915","0.0002","23.6567","0.0007","90","","90","","90","","2591.83","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","raffinose 4.433-hydrate","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose 4.433-hydrate","","- C18 H40.866 O20.433 -","- C18 H40.866 O20.433 -","- C72 H163.464 O81.732 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0479","0.0461","","","0.1011","0.1018","","","","","","1.19","","","","has coordinates,has disorder,has Fobs","167922","2020-10-21","18:00:00",""
"2020209","8.91926","0.00016","12.3038","0.0002","23.6118","0.0007","90","","90","","90","","2591.18","0.1","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose 4.289-hydrate","","- C18 H40.578 O20.289 -","- C18 H40.578 O20.289 -","- C72 H162.312 O81.156 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0438","0.0423","","","0.1038","0.1046","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","167922","2020-10-21","18:00:00",""
"2020210","8.93444","0.00016","12.3196","0.0002","23.6037","0.0004","90","","90","","90","","2598.03","0.08","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>O</i>-α-<i>D</i>-Galactopyranosyl-(1 →6)-α-<i>D</i>-glucopyranosyl-(1 →2)-β-<i>D</i>-fructofuranose 4.127-hydrate","","- C18 H40.254 O20.127 -","- C18 H40.254 O20.127 -","- C72 H161.016 O80.508 -","4","1","SK3602","Viriyarattanasak, Chotika; Shiro, Motoo; Munekawa, Shigeru; Franks, Felix; Ikeda, Satomi; Kajiwara, Kazuhito","Dehydration of raffinose pentahydrate: structures of raffinose 5-, 4.433-, 4.289- and 4.127-hydrate at 93K","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615017374","","","1.54187","CuKα","","0.0364","0.0344","","","0.0884","0.0897","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","167922","2020-10-21","18:00:00",""
"2020226","16.019","","19.993","","9.699","","90","","90","","90","","3106.28","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Yb2 (P6 O18) (H2 O)16","","- H32 O34 P6 Yb2 -","- O34 P6 Yb2 -","- O136 P24 Yb8 -","4","1","","Bagieu-Beucher, M.; Rzaigui, M.","Crystal chemistry of cyclo-hexaphosphates. XXI. Structure of ytterbium cyclo-hexaphosphate hexadecahydrate","Acta Crystallographica C (39,1983-)","1992","48","","244","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","168587","2020-10-21","18:00:00",""
"2020255","7.548","0.005","13.066","0.005","15.815","0.005","90","","90","","90","","1559.7","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-4,5,6-trimethoxyindoline-2,3-dione","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","EG3190","Sharmila, N.; Sundar, T. V.; Satish, G.; Ilangovan, A.; Venkatesan, P.","Two new isatin derivatives: 1-benzyl-4,5,6-trimethoxyindoline-2,3-dione and 1-benzyl-5-fluoroindoline-2,3-dione","Acta Crystallographica Section C","2015","71","11","","","10.1107/S2053229615018422","","","0.71073","MoKα","","0.0462","0.0379","","","0.0953","0.1018","","","","","","1.017","","","","has coordinates,has Fobs","169160","2020-10-21","18:00:00",""
"2020293","11.8634","0.0007","12.6803","0.0006","17.1975","0.0009","90","","90","","90","","2587","0.2","100","2","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(Tris[4-(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)-3-azabut-3-enyl]amine-κ<i>N</i>}iron(II) bis(tetrafluoridoborate) methanol monosolvate","","- C19 H28 B2 F8 Fe N10 O -","- C19 H28 B2 F8 Fe N10 O -","- C76 H112 B8 F32 Fe4 N40 O4 -","4","1","EG3192","Struch, Niklas; Schnakenburg, Gregor; Lützen, Arne","A novel crystal structure of {tris[4-(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)-3-azabut-3-enyl]amine-κ<i>N</i>}iron(II) bis(tetrafluoridoborate) methanol monosolvate featuring a low-spin configuration","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615020409","","","0.71073","MoKα","","0.0483","0.0373","","","0.0824","0.0864","","","","","","1.05","","","","has coordinates,has disorder","170210","2020-10-21","18:00:00",""
"2020299","3.7097","0.0003","9.5406","0.001","22.841","0.002","90","","90","","90","","808.41","0.13","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TGN-020","2-Nicotinamido-1,3,4,-thiadiazole","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C32 H24 N16 O4 S4 -","4","1","YP3101","Burnett, Marianne E.; Johnston, Hannah M.; Green, Kayla N.","Structural characterization of the aquaporin inhibitor 2-nicotinamido-1,3,4-thiadiazole","Acta Crystallographica Section C","2015","71","12","","","10.1107/S2053229615021130","","","0.71073","MoKα","","0.0655","0.0441","","","0.075","0.0799","","","","","","1.052","","","","has coordinates,has Fobs","170374","2020-10-21","18:00:00",""
"2020313","7.224","0.0018","12.935","0.003","22.0691","0.001","90","","90","","90","","2062.2","0.7","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4:6,7-Di-<i>O</i>-cyclohexylidene-<i>D</i>-glycero-α-<i>L</i>-talo-heptopyranose methanol monosolvate","","- C20 H34 O8 -","- C20 H34 O8 -","- C80 H136 O32 -","4","1","FN3209","Pullela, Srinivas Venkata; Acharya, Vinod; Reddy, Nagarjuna; Harlikar, Jayvant; Kulkarni, Amar; Chavan, Rakesh; Yadav, Ajay; Manna, Shuvendu; Ghosh, Angshuman","Structural corroboration of two important building blocks of the anticancer drug eribulin mesylate through two-dimensional NMR and single-crystal X-ray diffraction studies","Acta Crystallographica Section C","2016","72","1","14","20","10.1107/S2053229615022305","","","0.71075","MoKα","","0.0387","0.0373","","","0.0984","0.0999","","","","","","1.081","","","","has coordinates,has Fobs","176627","2020-10-21","18:00:00",""
"2020314","7.593","0.006","8.542","0.007","26.7","0.02","90","","90","","90","","1732","2","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-5-Allyl-2-[(<i>S</i>)-2,3-dihydroxypropyl]-4-[(phenylsulfonyl)methyl]tetrahydrofuran-3-ol","","- C17 H24 O6 S -","- C17 H24 O6 S -","- C68 H96 O24 S4 -","4","1","FN3209","Pullela, Srinivas Venkata; Acharya, Vinod; Reddy, Nagarjuna; Harlikar, Jayvant; Kulkarni, Amar; Chavan, Rakesh; Yadav, Ajay; Manna, Shuvendu; Ghosh, Angshuman","Structural corroboration of two important building blocks of the anticancer drug eribulin mesylate through two-dimensional NMR and single-crystal X-ray diffraction studies","Acta Crystallographica Section C","2016","72","1","14","20","10.1107/S2053229615022305","","","0.71075","MoKα","","0.0358","0.033","","","0.0804","0.0821","","","","","","1.048","","","","has coordinates,has Fobs","176627","2020-10-21","18:00:00",""
"2020385","4.1713","0.0001","14.7792","0.0004","16.1755","0.0004","90","","90","","90","","997.19","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(4-Acetylphenyl)-2-chloroacetamide","","- C10 H10 Cl N O2 -","- C10 H10 Cl N O2 -","- C40 H40 Cl4 N4 O8 -","4","1","CU3092","Ashraf, Zaman; Kim, Daeyoung; Seo, Sung-Yum; Kang, Sung Kwon","Synthesis and crystal structures of the potential tyrosinase inhibitors <i>N</i>-(4-acetylphenyl)-2-chloroacetamide and 2-(4-acetylanilino)-2-oxoethyl cinnamate","Acta Crystallographica Section C","2016","72","2","94","98","10.1107/S205322961502433X","","","0.71073","MoKα","","0.0457","0.038","","","0.1","0.106","","","","","","1.051","","","","has coordinates,has Fobs","177472","2020-10-21","18:00:00",""
"2020390","19.3239","0.0017","22.921","0.002","4.1385","0.0004","90","","90","","90","","1833","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Nobiletin","2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4<i>H</i>-chromen-4-one","","- C21 H22 O8 -","- C21 H22 O8 -","- C84 H88 O32 -","4","1","YO3016","Noguchi, Shuji; Atsumi, Haruka; Iwao, Yasunori; Kan, Toshiyuki; Itai, Shigeru","Nobiletin: a citrus flavonoid displaying potent physiological activity","Acta Crystallographica Section C","2016","72","2","124","127","10.1107/S2053229616000577","","","0.70041","Synchrotron(SPring-8BL02B1)","","0.0805","0.0651","","","0.1854","0.1915","","","","","","1.294","","","","has coordinates,has Fobs","177466","2020-10-21","18:00:00",""
"2020407","5.4867","0.0017","9.8381","0.0003","50.3061","0.0017","90","","90","","90","","2715.5","0.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(10,11-Dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)(hydroxy)methylidene]azanium chloride","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C120 H120 Cl8 N16 O8 -","8","2","YF3097","Buist, Amanda R.; Kennedy, Alan R.","Salt forms of the pharmaceutical amide dihydrocarbamazepine","Acta Crystallographica Section C","2016","72","2","155","160","10.1107/S2053229616001133","","","0.71073","MoKα","","0.0646","0.0485","","","0.0868","0.0932","","","","","","1.058","","","","has coordinates,has Fobs","177478","2020-10-21","18:00:00",""
"2020414","9.5183","0.0005","9.595","0.0007","36.207","0.004","90","","90","","90","","3306.7","0.5","100","","99.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,5<i>R</i>)-4,5-Bis(hydroxydiphenylmethyl)-2,2-dimethyl-1,3-dioxolane‒4,4a,5,6,7,8-hexahydronaphthalen-2(3<i>H</i>)-one‒4a-(hydroperoxymethyl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3<i>H</i>)-one (1/0.85/0.15)","","- C41 H44 O5.3 -","- C41 H44 O5.298 -","- C164 H176 O21.192 -","4","1","FN3214","Guzei, Ilia A.; Miles, Kelsey C.","<i>Ab initio</i> X-ray structural characterization of an inclusion compound with a compositionally disordered chiral guest: no prior knowledge of the crystal composition","Acta Crystallographica Section C","2016","72","3","179","183","10.1107/S2053229616001972","","","1.54178","CuKα","","0.0354","0.0346","","","0.0871","0.0877","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","181475","2020-10-21","18:00:00",""
"2020415","8.3748","0.0006","18.2499","0.0009","27.5695","0.0014","90","","90","","90","","4213.7","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[3,5-Bis(trifluoromethyl)phenyl]bis[2-(trifluoromethyl)phenyl]borane","","- C22 H11 B F12 -","- C22 H11 B F12 -","- C176 H88 B8 F96 -","8","2","SK3617","Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes","Acta Crystallographica Section C","2016","72","3","189","197","10.1107/S2053229616002242","","","0.71073","MoKα","","0.0954","0.048","","","0.0916","0.1052","","","","","","0.818","","","","has coordinates,has disorder,has Fobs","181468","2020-10-21","18:00:00",""
"2020420","4.5317","0.0004","12.6474","0.0011","28.675","0.003","90","","90","","90","","1643.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2","(<i>SP</i>-4-4)-(<i>R</i>)-[2-(1-Aminoethyl)-5-fluorophenyl-κ^2^<i>C</i>^1^,<i>N</i>][(<i>R</i>)-1-(4-fluorophenyl)ethylamine-κ<i>N</i>](isocyanato-κ<i>N</i>)platinum(II)","","- C17 H19 F2 N3 O Pt -","- C17 H19 F2 N3 O Pt -","- C68 H76 F8 N12 O4 Pt4 -","4","1","YF3099","Raven, William; Joschko, Thomas; Kalf, Irmgard; Englert, Ulli","Hydrogen <i>versus</i> fluorine: effects on molecular structure and intermolecular interactions in a platinum isocyanate complex","Acta Crystallographica Section C","2016","72","3","184","188","10.1107/S2053229616002382","","","0.71073","MoKα","","0.0345","0.0307","","","0.063","0.0645","","","","","","1.069","","","","has coordinates,has Fobs","181474","2020-10-21","18:00:00",""
"2020454","6.0946","0.0005","7.5732","0.0005","34.046","0.003","90","","90","","90","","1571.4","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-2-({[(4-Methylphenyl)ethyl]imino}methyl)naphthalene","","- C20 H19 N -","- C20 H19 N -","- C80 H76 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.068","0.0443","","","0.1002","0.1117","","","","","","1.076","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020455","6.1094","0.0005","7.7266","0.0007","34.225","0.004","90","","90","","90","","1615.6","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-(‒)-2-({[(4-Methoxylphenyl)ethyl]imino}methyl)naphthalene","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.132","0.0628","","","0.1222","0.1546","","","","","","1.081","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020457","6.0567","0.0005","7.6139","0.0005","33.853","0.003","90","","90","","90","","1561.1","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-2-({[(4-Chlorophenyl)ethyl]imino}methyl)naphthalene","","- C19 H16 Cl N -","- C19 H16 Cl N -","- C76 H64 Cl4 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.0811","0.0567","","","0.1246","0.1386","","","","","","1.068","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020458","6.0526","0.0002","7.6671","0.0004","33.9712","0.0019","90","","90","","90","","1576.46","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-2-({[(4-Bromophenyl)ethyl]imino}methyl)naphthalene","","- C19 H16 Br N -","- C19 H16 Br N -","- C76 H64 Br4 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","0.71073","MoKα","","0.0837","0.044","","","0.0832","0.0979","","","","","","1.02","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020462","6.32427","0.00018","14.4559","0.0003","18.5421","0.0005","90","","90","","90","","1695.17","0.08","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-2-({[(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-2,6,6-Trimethylbicyclo[3.1.1]hept-3-yl]imino}methyl}naphthalene","","- C21 H25 N -","- C21 H25 N -","- C84 H100 N4 -","4","1","HB7571","Hernández-Téllez, Guadalupe; Moreno, Gloria E.; Bernès, Sylvain; Mendoza, Angel; Portillo, Oscar; Sharma, Pankaj; Gutiérrez, René","Crystal structures of ten enantiopure Schiff bases bearing a naphthyl group","Acta Crystallographica Section E Crystallographic Communications","2016","72","4","583","","10.1107/S2056989016004692","","","1.54184","CuKα","","0.0526","0.0407","","","0.0956","0.1032","","","","","","1.034","","","","has coordinates,has Fobs","180667","2020-10-21","18:00:00",""
"2020474","7.5541","0.0003","14.7914","0.0005","15.4049","0.0005","90","","90","","90","","1721.28","0.11","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>SR</i>,4<i>RS</i>)-6,9-Dimethyl-2-(naphthalen-1-yl)-2,3,4,5-tetrahydro-1<i>H</i>-1,4-epoxy-1-benzazepine","","- C22 H21 N O -","- C22 H21 N O -","- C88 H84 N4 O4 -","4","1","","Macías, Mario A.; Acosta, Lina M.; Sanabria, Carlos M.; Palma, Alirio; Roussel, Pascal; Gauthier, Gilles H.; Suescun, Leopoldo","Crystal structures of five new substituted tetrahydro-1-benzazepines with potential antiparasitic activity","Acta Crystallographica Section C","2016","72","5","363","372","10.1107/S2053229616004885","","","0.71073","MoKα","","0.0769","0.0431","","","0.0954","0.1094","","","","","","1.029","","","","has coordinates,has Fobs","183645","2020-10-21","18:00:00",""
"2020482","6.9028","0.0006","11.0334","0.001","24.451","0.002","90","","90","","90","","1862.2","0.3","100","","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17α-Methyl-10β,17β-dihydroxyestr-4-en-3-one dihydrate","","- C19 H32 O5 -","- C19 H32 O5 -","- C76 H128 O20 -","4","1","FP3028","Faroque, Muhammad Umer; Yousuf, Sammer; Zafar, Salman; Choudhary, M. Iqbal; Ahmed, Maqsood","Transferred multipolar atom model for 10β,17β-dihydroxy-17α-methylestr-4-en-3-one dihydrate obtained from the biotransformation of methyloestrenolone","Acta Crystallographica Section C","2016","72","5","398","404","10.1107/S2053229616005441","","","0.71073","MoKα","","0.0478","0.0478","","","0.1161","0.1161","","","","","","0.949","","","","has coordinates,has Fobs","183635","2020-10-21","18:00:00",""
"2020502","7.715","0.002","10.598","0.003","35.481","0.009","90","","90","","90","","2901.1","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Adenosine 3':5'-cyclic phosphate dihydrate","Adenosine 3':5'-cyclic phosphate dihydrate","","- C10 H16 N5 O8 P -","- C10 H16 N5 O8 P -","- C80 H128 N40 O64 P8 -","8","2","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","0.71073","MoKα","","0.0721","0.0464","","","0.083","0.0901","","","","","","1.008","","","","has coordinates,has Fobs","182819","2020-10-21","18:00:00",""
"2020503","7.786","0.002","10.638","0.003","29.887","0.008","90","","90","","90","","2475.5","1.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Adenosine 3':5'-cyclic phosphate 0.3-hydrate","Adenosine 3':5'-cyclic phosphate 0.3-hydrate","","- C10 H12.6 N5 O6.3 P -","- C10 H12.63 N5 O6.315 P -","- C80 H101.04 N40 O50.52 P8 -","8","2","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","1.5418","CuKα","","0.0578","0.0515","","","0.1297","0.1343","","","","","","1.047","","","","has coordinates,has Fobs","182819","2020-10-21","18:00:00",""
"2020504","6.691","0.002","13.555","0.003","19.863","0.004","90","","90","","90","","1801.5","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Guanosine 3':5'-cyclic phosphate pentahydrate","Guanosine 3':5'-cyclic phosphate pentahydrate","","- C10 H22 N5 O12 P -","- C10 H12 N5 O12 P -","- C40 H48 N20 O48 P4 -","4","1","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","0.71073","MoKα","","0.077","0.0622","","","0.1371","0.146","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","182819","2020-10-21","18:00:00",""
"2020505","7.206","0.002","12.669","0.003","18.754","0.003","90","","90","","90","","1712.1","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Guanosine 3':5'-cyclic phosphate sodium salt tetrahydrate","Guanosine 3':5'-cyclic phosphate sodium salt tetrahydrate","","- C10 H19 N5 Na O11 P -","- C10 H19 N5 Na O11 P -","- C40 H76 N20 Na4 O44 P4 -","4","1","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","0.71073","MoKα","","0.0309","0.0284","","","0.0735","0.075","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","182819","2020-10-21","18:00:00",""
"2020506","6.652","0.002","14.726","0.003","17.208","0.004","90","","90","","90","","1685.7","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Inosine 3':5'-cyclic phosphate sodium salt tetrahydrate","Inosine 3':5'-cyclic phosphate sodium salt tetrahydrate","","- C10 H18 N4 Na O11 P -","- C10 H18 N4 Na O11 P -","- C40 H72 N16 Na4 O44 P4 -","4","1","","Ślepokura, Katarzyna Anna","Purine 3':5'-cyclic nucleotides with the nucleobase in a <i>syn</i> orientation: cAMP, cGMP and cIMP","Acta Crystallographica Section C","2016","72","6","","","10.1107/S2053229616006999","","","0.71073","MoKα","","0.0598","0.0485","","","0.0973","0.1028","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","182819","2020-10-21","18:00:00",""
"2020530","5.4764","0.0003","15.9117","0.0008","18.3228","0.001","90","","90","","90","","1596.63","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ6,1-benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C68 H64 N8 O16 S4 -","4","1","FN3216","Ukrainets, Igor V.; Shishkina, Svitlana V.; Baumer, Vyacheslav N.; Gorokhova, Olga V.; Petrushova, Lidiya A.; Sim, Galina","Two pseudo-enantiomeric forms of <i>N</i>-benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide and their analgesic properties","Acta Crystallographica Section C","2016","72","5","411","415","10.1107/S2053229616005453","","","0.71073","MoKα","","0.0981","0.0507","","","0.0828","0.0938","","","","","","0.993","","","","has coordinates,has Fobs","183614","2020-10-21","18:00:00",""
"2020531","5.4469","0.0003","15.8455","0.001","18.2412","0.0009","90","","90","","90","","1574.38","0.15","293","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ6,1-benzothiazine-3-carboxamide","","- C17 H16 N2 O4 S -","- C17 H16 N2 O4 S -","- C68 H64 N8 O16 S4 -","4","1","FN3216","Ukrainets, Igor V.; Shishkina, Svitlana V.; Baumer, Vyacheslav N.; Gorokhova, Olga V.; Petrushova, Lidiya A.; Sim, Galina","Two pseudo-enantiomeric forms of <i>N</i>-benzyl-4-hydroxy-1-methyl-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxamide and their analgesic properties","Acta Crystallographica Section C","2016","72","5","411","415","10.1107/S2053229616005453","","","0.71073","MoKα","","0.0545","0.0404","","","0.0489","0.1235","","","","","","0.8353","","","","has coordinates,has Fobs","183614","2020-10-21","18:00:00",""
"2020611","10.868","0.004","11.985","0.004","28.705","0.008","90","","90","","90","","3739","2","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[Hydrotris(3-phenylpyrazolyl-κ<i>N</i>^2^)borato](phenolato-κ<i>O</i>)(tetrahydrofuran-κ<i>O</i>)nickel(II) tetrahydrofuran monosolvate","","- C41 H43 B N6 Ni O3 -","- C41 H43 B N6 Ni O3 -","- C164 H172 B4 N24 Ni4 O12 -","4","1","FO3002","Green, William L.; Sirianni, Eric R.; Yap, Glenn P. A.; Riordan, Charles G.","Steric and electronic factor comparisons in hydrotris(3-phenylpyrazolyl)borate nickel(II) aryloxides","Acta Crystallographica Section C","2016","72","11","791","796","10.1107/S2053229616001789","","","0.71073","MoKα","","0.0324","0.0308","","","0.0814","0.083","","","","","","1.063","","","","has coordinates,has Fobs","188944","2020-10-21","18:00:00",""
"2020684","8.7561","0.0005","9.0016","0.0005","12.8869","0.0007","90","","90","","90","","1015.73","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzyl-2-iodoimidazole","1-Benzyl-2-iodo-1<i>H</i>-imidazole","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","KU3188","Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric","C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives","Acta Crystallographica Section C","2017","73","1","2","8","10.1107/S2053229616018702","","","0.71073","MoKα","","0.0132","0.0129","","","0.0299","0.03","","","","","","1.051","","","","has coordinates,has Fobs","191419","2020-10-21","18:00:00",""
"2020688","9.692","0.0002","25.1673","0.0006","7.9853","0.0002","90","","90","","90","","1947.79","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sulfamethazine pyridine monosolvate","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide pyridine monosolvate","","- C18 H21 N5 O2 S -","- C18 H21 N5 O2 S -","- C72 H84 N20 O8 S4 -","4","1","","Patel, Urmila H.; Purohit, Ketankumar P.","Pyridine and 3-methylpyridine solvates of the triple sulfa drug constitutent sulfamethazine","Acta Crystallographica Section C","2017","73","1","9","12","10.1107/S2053229616015898","","","0.71073","MoKα","","0.0406","0.0366","","","0.0987","0.1021","","","","","","1.03","","","","has coordinates,has Fobs","191424","2020-10-21","18:00:00",""
"2020717","5.3629","0.0001","13.726","0.0003","27.8653","0.0006","90","","90","","90","","2051.2","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-Phenylethylammonium <i>N</i>-[(<i>S</i>)-1-phenylethyl]phenylphosphonamidate","","- C22 H27 N2 O2 P -","- C22 H27 N2 O2 P -","- C88 H108 N8 O8 P4 -","4","1","","Hamzehee, Farahnaz; Pourayoubi, Mehrdad; Nečas, Marek; Choquesillo-Lazarte, Duane","Extensive analysis of N—H···O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study","Acta Crystallographica Section C","2017","73","3","","","10.1107/S2053229617001516","","","0.71073","MoKα","","0.0336","0.0305","","","0.0743","0.0764","","","","","","1.045","","","","has coordinates,has Fobs","192429","2020-10-21","18:00:00",""
"2020721","5.4468","0.0002","11.4102","0.0004","34.3009","0.0009","90","","90","","90","","2131.77","0.12","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1-(4-Chlorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridine","","- C21 H19 Cl F3 N3 O2 S -","- C21 H19 Cl F3 N3 O2 S -","- C84 H76 Cl4 F12 N12 O8 S4 -","4","1","YF3117","Sagar, Belakavadi K.; Harsha, Kachigere B.; Yathirajan, Hemmige S.; Rangappa, Kanchugarakoppal S.; Rathore, Ravindranath S.; Glidewell, Christopher","Three closely related 4,5,6,7-tetrahydro-1<i>H</i>-pyrazolo[4,3-<i>c</i>]pyridines: synthesis, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2017","73","3","298","304","10.1107/S205322961700273X","","","0.71073","MoKα","","0.0649","0.0392","","","0.0812","0.0931","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","192748","2020-10-21","18:00:00",""
"2020760","9.0372","0.0006","15.5934","0.0006","44.5357","0.0011","90","","90","","90","","6276","0.5","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetra-<i>n</i>-butylammonium bis[(<i>R</i>)-mandelato]borate","","- C32 H48 B N O6 -","- C32 H48 B N O6 -","- C256 H384 B8 N8 O48 -","8","2","FM3050","Wong, Lawrence W.-Y.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral bis(mandelato)borate salts for resolution <i>via</i> metathesis crystallization","Acta Crystallographica Section C","2017","73","8","","","10.1107/S2053229617009718","","","1.54178","CuKα","","0.0385","0.0318","","","0.066","0.0676","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","198914","2020-10-21","18:00:00",""
"2020794","5.0591","0.0003","16.7533","0.0009","23.5587","0.0013","90","","90","","90","","1996.76","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Di-<i>L</i>-phenylalanine tetrahydrofuran monosolvate","2-(2-Azaniumyl-3-phenylpropanamido)-3-phenylpropanoate tetrahydrofuran monosolvate","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","KU3197","Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos","Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials","Acta Crystallographica Section C","2017","73","6","447","450","10.1107/S2053229617006830","","","1.54178","CuKα","","0.0435","0.0404","","","0.1101","0.1323","","","","","","1.089","","","","has coordinates,has Fobs","199084","2020-10-21","18:00:00",""
"2020795","5.0827","0.0003","16.7903","0.0009","24.0532","0.0012","90","","90","","90","","2052.7","0.19","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Di-<i>L</i>-phenylalanine tetrahydrofuran monosolvate","2-(2-Azaniumyl-3-phenylpropanamido)-3-phenylpropanoate tetrahydrofuran monosolvate","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","","Georgilis, Evangelos; Gessmann, Renate; Mitraki, Anna; Petratos, Kyriacos","Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials","Acta Crystallographica Section C","2017","73","6","447","450","10.1107/S2053229617006830","","","1.54178","CuKα","","0.0718","0.0665","","","0.1837","0.189","","","","","","1.052","","","","has coordinates,has Fobs","199084","2020-10-21","18:00:00",""
"2020803","9.1605","0.0003","13.8069","0.0005","16.8625","0.0007","90","","90","","90","","2132.74","0.14","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,7<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-6-Acetoxy-4,9,10-trihydroxy-2,2,5a,9-tetramethyloctahydro-2<i>H</i>-3,9a-methanobenzo[<i>b</i>]oxepin-5-yl furan-3-carboxylate","","- C22 H30 O9 -","- C22 H30 O9 -","- C88 H120 O36 -","4","1","FN3234","Paz, Cristian; von Dossow, Daniela; Tiznado, Victor; Suarez, Sebastián; Cukiernik, Fabio D.; Baggio, Ricardo","A dihydro-β-agarofuran sesquiterpene from <i>Maytenus boaria</i>","Acta Crystallographica Section C","2017","73","6","451","457","10.1107/S2053229617006817","","","1.54178","CuKα","","0.0638","0.0605","","","0.1572","0.1648","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","199091","2020-10-21","18:00:00",""
"2020806","9.9801","0.0004","18.854","0.0008","26.1414","0.0011","90","","90","","90","","4918.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>rac</i>-<i>N</i>-[(1<i>S</i>,2<i>R</i>,3<i>S</i>)-2-Methyl-3-(5-methylfuran-2-yl)-1-phenyl-3-(pivalamido)propyl]benzamide","","- C27 H32 N2 O3 -","- C27 H32 N2 O3 -","- C216 H256 N16 O24 -","8","2","SK3660","Kramer, Philipp; Bolte, Michael","Synthesis and crystal structures of two structurally related kryptoracemates","Acta Crystallographica Section C","2017","73","7","575","581","10.1107/S2053229617009408","","","0.71073","MoKα","","0.0813","0.0578","","","0.1254","0.1345","","","","","","0.984","","","","has coordinates,has Fobs","199093","2020-10-21","18:00:00",""
"2020853","5.3945","0.0004","9.1577","0.0005","43.475","0.004","90","","90","","90","","2147.7","0.3","253","2","253","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylsulfanyl)tetrahydro-2<i>H</i>-pyran-3,4,5-triol","","- C21 H25 Cl O5 S -","- C21 H25 Cl O5 S -","- C84 H100 Cl4 O20 S4 -","4","1","FM3052","Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.","Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011603","","","1.54184","CuKα","","0.0616","0.0441","","","0.0935","0.1082","","","","","","1.069","","","","has coordinates,has Fobs","199770","2020-10-21","18:00:00",""
"2020854","4.4659","0.0003","9.8994","0.0008","48.073","0.005","90","","90","","90","","2125.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylsulfanyl)tetrahydro-2<i>H</i>-pyran-3,4,5-triol monohydrate","","- C21 H27 Cl O6 S -","- C21 H27 Cl O6 S -","- C84 H108 Cl4 O24 S4 -","4","1","FM3052","Gelbrich, Thomas; Adamer, Verena; Stefinovic, Marijan; Thaler, Andrea; Griesser, Ulrich J.","Hydrogen-bonded structures and interaction energies in two forms of the SGLT-2 inhibitor sotagliflozin","Acta Crystallographica Section C","2017","73","9","","","10.1107/S2053229617011603","","","1.54184","CuKα","","0.0832","0.073","","","0.1434","0.149","","","","","","1.35","","","","has coordinates,has Fobs","199770","2020-10-21","18:00:00",""
"2021008","17.4407","0.0013","9.7795","0.0009","7.0567","0.0007","90","","90","","90","","1203.6","0.19","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(<i>L</i>-Prolylamino)terephthalic acid","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C52 H56 N8 O20 -","4","1","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.8037","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021018","13.0034","0.0004","14.0829","0.0004","31.479","0.001","90","","90","","90","","5764.6","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-Cyclopropylmethyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1<i>H</i>-4,12-methanobenzofuro[3,2-<i>e</i>]isoquinolin-7-one ethyl acetate 0.33-solvate","","- C64 H77 N3 O14 -","- C64.002 H77.005 N3 O14 -","- C256.008 H308.02 N12 O56 -","4","1","CU3125","Gonçalves, Karolina de Oliveira; Ribeiro, Leandro; de Oliveira, Cecilia Maria Alves; Carvalho, Jesiel Freitas; Martins, Felipe T.","New solvates of the drug naltrexone: protonation, conformation and interplay of synthons","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001791","","","1.54178","CuKα","","0.071","0.0517","","","","0.1462","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2021019","12.5992","0.0002","13.1093","0.0003","26.6586","0.0006","90","","90","","90","","4403.11","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-Cyclopropylmethyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1<i>H</i>-4,12-methanobenzofuro[3,2-<i>e</i>]isoquinolin-7-one diethyl ether hemisolvate","","- C44 H56 N2 O9 -","- C44 H56 N2 O9 -","- C176 H224 N8 O36 -","4","1","CU3125","Gonçalves, Karolina de Oliveira; Ribeiro, Leandro; de Oliveira, Cecilia Maria Alves; Carvalho, Jesiel Freitas; Martins, Felipe T.","New solvates of the drug naltrexone: protonation, conformation and interplay of synthons","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001791","","","1.54178","CuKα","","0.0931","0.0648","","","","0.1927","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","206452","2020-10-21","18:00:00",""
"2021020","11.7625","0.00011","12.00313","0.00013","24.2755","0.0002","90","","90","","90","","3427.38","0.06","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Griseofulvin","(2<i>S</i>,6'<i>R</i>)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3<i>H</i>,4'<i>H</i>-spiro[1-benzofuran-2,1'-cyclohex-2-ene]-3,4'-dione","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C136 H136 Cl8 O48 -","8","2","","Mahieu, Aurélien; Willart, Jean-François; Guerain, Mathieu; Derollez, Patrick; Danéde, Florence; Descamps, Marc","Structure determination of phase II of the antifungal drug griseofulvin by powder X-ray diffraction","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001845","powder diffraction","","1.23922","synchrotron","","0.0985","0.0703","","0.0706","0.0663","","","","1.35","","","","","","","has coordinates,has Fobs","206573","2020-10-21","18:00:00",""
"2021037","9.8015","0.0006","20.9572","0.0015","21.7012","0.0017","90","","90","","90","","4457.7","0.5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine-κ<i>N</i>]nickel(II) sulfate","","- C38 H26 N10 Ni O4 S -","- C38 H26 N10 Ni O4 S -","- C152 H104 N40 Ni4 O16 S4 -","4","1","SK3681","Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo","Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002413","","","0.71073","MoKα","","0.1296","0.0738","","","0.174","0.2095","","","","","","0.984","","","","has coordinates,has Fobs","206644","2020-10-21","18:00:00",""
"2021064","7.7442","0.0003","11.773","0.0004","26.2562","0.0011","90","","90","","90","","2393.84","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(Dimethylamino)benzophenone","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","2","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.71073","MoKα","","0.0436","0.0349","","","0.0782","0.0827","","","","","","1.04","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021066","12.1952","0.001","7.8601","0.0007","12.0734","0.0012","90","","90","","90","","1157.3","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,4'-Dimethylbenzophenone","","- C15 H14 O -","- C15 H14 O -","- C60 H56 O4 -","4","1","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.56086","AgKα","","0.0501","0.0442","","","0.1246","0.1296","","","","","","1.08","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021093","6.4641","0.0002","11.6518","0.0004","25.4249","0.0009","90","","90","","90","","1914.96","0.11","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4a<i>R</i>,4 b<i>R</i>,7<i>R</i>,10<i>aS</i>)-4 b,7-Dihydroxy-7-isopropyl-1,1-dimethyl-9-oxododecahydrobenzo[<i>a</i>]azulene-4a(2<i>H</i>)-carboxylic acid","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","LG3224","Zhao, Chen-Liang; Sarwar, Md. Shahid; Ye, Jiang-Hai; Ku, Chuen Fai; Li, Wan-Fei; Luo, Guo-Yong; Zhang, Jing-Jie; Xu, Jun; Huang, Zhao-Feng; Tsang, Siu Wai; Pan, Lu-Tai; Zhang, Hong-Jie","Isolation, evaluation of bioactivity and structure determination of amethinol A, a prototypic amethane diterpene from <i>Isodon amethystoides</i> bearing a six/five/seven-membered carbon-ring system","Acta Crystallographica Section C","2018","74","5","635","640","10.1107/S2053229618005740","","","1.54178","CuKα","","0.0279","0.0277","","","0.0738","0.0739","","","","","","1.052","","","","has coordinates,has Fobs","207530","2020-10-21","18:00:00",""
"2021134","9.62162","0.00012","10.40235","0.00011","19.6935","0.0002","90","","90","","90","","1971.07","0.04","99.98","0.11","99.98","0.11","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Azaartemisinin‒maleic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒<i>cis</i>-butenedioic acid (1/1)","","- C19 H27 N O8 -","- C19 H27 N O8 -","- C76 H108 N4 O32 -","4","1","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54184","CuKα","","0.0224","0.022","","","0.0554","0.0557","","","","","","1.006","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021135","9.7885","0.0001","9.9965","0.0001","33.7661","0.0004","90","","90","","90","","3304.04","0.06","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Azaartemisinin‒maleic acid (2/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒<i>cis</i>-butenedioic acid (2/1)","","- C34 H50 N2 O12 -","- C34 H50 N2 O12 -","- C136 H200 N8 O48 -","4","1","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54178","CuKα","","0.0307","0.0296","","","0.0743","0.0749","","","","","","1.016","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021172","6.6712","0.0003","11.9999","0.0005","22.2073","0.0008","90","","90","","90","","1777.78","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β,20-Epoxy-3α,16-dihydroxy-15-oxo-7-pimaren-19,6β-olide","13-Hydroxy-5-(2-hydroxyacetyl)-5,12-dimethyl-10,14-dioxapentacyclo[11.2.2.1^{1,9}.0^{2,7}.0^{12,18}^]octadec-7-en-11-one","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","QS3074","Brito, Maria V.; Marques, Ricardo A.; Mattos, Marcos C.; Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Oliveira, Maria C. F.; Martins, Felipe T.","Semisynthesis and absolute configuration of a novel rearranged 19,20-δ-lactone (9βH)-pimarane diterpene","Acta Crystallographica Section C Structural Chemistry","2018","74","8","","","10.1107/S2053229618009452","","","0.71073","MoKα","","0.0805","0.0611","","","","0.1643","","","","","","1.039","","","","has coordinates,has Fobs","208903","2020-10-21","18:00:00",""
"2021203","7.3992","0.0002","13.9842","0.0004","26.9897","0.0008","90","","90","","90","","2792.68","0.14","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒2-methylbenzoic acid (1/1)","","- C14 H16 Cl N3 O2 -","- C14 H16 Cl N3 O2 -","- C112 H128 Cl8 N24 O16 -","8","2","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0377","0.0343","","","0.0884","0.0913","","","","","","1.044","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021207","8.944","0.002","10.797","0.003","20.52","0.005","90","","90","","90","","1981.6","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1'-Diformylruthenocene","","- C12 H10 O2 Ru -","- C12 H10 O2 Ru -","- C96 H80 O16 Ru8 -","8","2","ZP2025","Anzaldo, Bertin; Sharma, Pankaj; Lara Ochoa, Francisco; Villamizar C., Claudia P.; Gutiérrez Pérez, René","X-ray structure analysis of symmetrically substituted 1,1′-diformylruthenocene","Acta Crystallographica Section E Crystallographic Communications","2018","74","9","1186","","10.1107/S2056989018010642","","","0.71073","MoKα","","0.0668","0.0528","","","0.1111","0.1233","","","","","","1.025","","","","has coordinates,has Fobs","209711","2020-10-21","18:00:00",""
"2021282","6.8719","0.0003","18.8925","0.0011","19.1239","0.0014","90","","90","","90","","2482.8","0.3","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cytisinium perchlorate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium perchlorate","","- C11 H15 Cl N2 O5 -","- C11 H15 Cl N2 O5 -","- C88 H120 Cl8 N16 O40 -","8","2","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.068","0.0506","","","0.1158","0.1258","","","","","","1.023","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021288","7.9767","0.0003","14.1131","0.0006","25.725","0.001","90","","90","","90","","2896","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen dicytisinium triiodide","Hydrogen bis(6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) triiodide","","- C22 H31 I3 N4 O2 -","- C22 H31 I3 N4 O2 -","- C88 H124 I12 N16 O8 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0588","0.0478","","","0.1323","0.1399","","","","","","0.998","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021289","7.8269","0.0002","19.3211","0.0006","19.9592","0.0005","90","","90","","90","","3018.32","0.14","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen dicytisinium triiodide diiodide","Hydrogen bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) triiodide diiodide","","- C22 H31 I5 N4 O2 -","- C22 H31 I5 N4 O2 -","- C88 H124 I20 N16 O8 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0351","0.0288","","","0.0501","0.0525","","","","","","1.027","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021290","7.8686","0.0002","19.4183","0.0005","21.855","0.0006","90","","90","","90","","3339.33","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen dicytisinium bis(triodide) iodide","Hydrogen bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) bis(triodide) iodide","","- C22 H31 I7 N4 O2 -","- C22 H31 I7 N4 O2 -","- C88 H124 I28 N16 O8 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","1.54184","CuKα","","0.0606","0.0487","","","0.1283","0.1347","","","","","","1.109","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021291","8.0018","0.0013","11.7602","0.0016","16.421","0.002","90","","90","","90","","1545.3","0.4","130","1","130","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cytisinediium bis(perchlorate)","6-Oxidaniumylidene-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium bis(perchlorate)","","- C11 H16 Cl2 N2 O9 -","- C11 H16 Cl2 N2 O9 -","- C44 H64 Cl8 N8 O36 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","1.54184","CuKα","","0.1127","0.0805","","","0.1903","0.2395","","","","","","1.248","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021302","6.5581","0.0015","7.8144","0.0018","17.137","0.005","90","","90","","90","","878.2","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","4-[1-Hydroxy-2-(methylamino)ethyl]phenol","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","QF3019","Fujii, Isao","Crystal structures of racemic and enantiopure synephrine correlated with physicochemical properties from IR spectroscopy and thermal analysis","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014419","","x-ray","1.54178","CuKα","","0.0316","0.0282","","","0.081","0.098","","","","","","1.17","","","","has coordinates,has Fobs","211622","2020-10-21","18:00:00",""
"2021339","7.1606","0.0004","7.2405","0.0003","28.2842","0.0014","90","","90","","90","","1466.43","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-3-Methyl-2-{(<i>E</i>)-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene]hydrazinylidene}thiazolidin-4-one","","- C14 H21 N3 O S -","- C14 H21 N3 O S -","- C56 H84 N12 O4 S4 -","4","1","YF3154","N'ait Ousidi, Abdellah; Ait Itto, Moulay Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Robert, Anthony; Auhmani, Abdelwahed; Daran, Jean-Claude","New polysubstituted monoterpenic thiazolidinones: synthesis, spectroscopic and crystal structure studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015802","","x-ray","0.71073","MoKα","","0.0355","0.0337","","","0.077","0.0779","","","","","","1.116","","","","has coordinates,has Fobs","211976","2020-10-21","18:00:00",""
"2021340","11.4988","0.0008","13.5379","0.0011","22.3107","0.0016","90","","90","","90","","3473.1","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>Z</i>,5<i>Z</i>)-5-[(Dimethylamino)methylidene]-2-{(<i>E</i>)-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene]hydrazinylidene}thiazolidin-4-one","","- C16 H24 N4 O S -","- C16 H24 N4 O S -","- C128 H192 N32 O8 S8 -","8","2","YF3154","N'ait Ousidi, Abdellah; Ait Itto, Moulay Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Robert, Anthony; Auhmani, Abdelwahed; Daran, Jean-Claude","New polysubstituted monoterpenic thiazolidinones: synthesis, spectroscopic and crystal structure studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015802","","","0.71073","MoKα","","0.0516","0.04","","","0.0926","0.0991","","","","","","1.026","","","","has coordinates,has Fobs","211976","2020-10-21","18:00:00",""
"2021357","8.0097","0.0006","14.8313","0.0012","20.5873","0.0015","90","","90","","90","","2445.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>R</i>,14<i>S</i>,17<i>R</i>)-3-Chloro-10,13-dimethyl-17-[(<i>R</i>)-6-methylheptan-2-yl)-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-2-carbaldehyde","","- C28 H45 Cl O -","- C28 H45 Cl O -","- C112 H180 Cl4 O4 -","4","1","YF3157","Almagro, Luis; Nogueras, Manuel; Suárez, Margarita; Cobo, Justo; Glidewell, Christopher","Chloro‒formyl steroids as precursors for hybrid heterosteroids: synthesis, spectroscopic characterization, and molecular and supramolecular structures","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015887","","","0.71073","MoKα","","0.0568","0.0396","","","0.0798","0.0853","","","","","","1.035","","","","has coordinates,has Fobs","212106","2020-10-21","18:00:00",""
"2021358","7.0444","0.0003","10.8756","0.0006","30.491","0.0014","90","","90","","90","","2335.98","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (<i>R</i>)-4-[(5<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>R</i>,14<i>S</i>,17<i>R</i>)-3-chloro-4-formyl-10,13-dimethyl-12-oxo-2,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl]pentanoate","","- C26 H37 Cl O4 -","- C26 H37 Cl O4 -","- C104 H148 Cl4 O16 -","4","1","YF3157","Almagro, Luis; Nogueras, Manuel; Suárez, Margarita; Cobo, Justo; Glidewell, Christopher","Chloro‒formyl steroids as precursors for hybrid heterosteroids: synthesis, spectroscopic characterization, and molecular and supramolecular structures","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015887","","","0.71073","MoKα","","0.0711","0.0475","","","0.0838","0.0902","","","","","","1.056","","","","has coordinates,has Fobs","212106","2020-10-21","18:00:00",""
"2021369","8.3816","0.0012","9.6258","0.0014","24.297","0.003","90","","90","","90","","1960.3","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl [1-(1,3-diethyl-4,6-dioxo-2-thioxohexahydropyrimidin-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate","","- C18 H29 N3 O5 S -","- C18 H29 N3 O5 S -","- C72 H116 N12 O20 S4 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0303","0.0283","","","0.0688","0.0699","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","212130","2020-10-21","18:00:00",""
"2021372","4.9625","0.0003","10.6358","0.0007","23.2402","0.0015","90","","90","","90","","1226.62","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-(1-Aminopropylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1<i>H</i>,5<i>H</i>)-dione","","- C11 H17 N3 O2 S -","- C11 H17 N3 O2 S -","- C44 H68 N12 O8 S4 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0344","0.0323","","","0.0746","0.0759","","","","","","1.035","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021374","5.7979","0.0019","9.866","0.004","15.421","0.006","90","","90","","90","","882.1","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Aminoanilinium perchlorate","","- C6 H9 Cl N2 O4 -","- C6 H9 Cl N2 O4 -","- C24 H36 Cl4 N8 O16 -","4","1","OV3114","Zick, Patricia L.; Geiger, David K.","Charge-assisted hydrogen bonding in three diaminobenzene salts","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015553","","","0.71073","MoKα","","0.0316","0.0292","","","0.0756","0.0771","","","","","","1.021","","","","has coordinates,has Fobs","212131","2020-10-21","18:00:00",""
"2021463","9.6571","0.0002","13.0874","0.0003","16.4113","0.0004","90","","90","","90","","2074.16","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-1-{(4-Methylphenyl)[(1-phenylethyl)amino]methyl}naphthalen-2-ol","","- C26 H25 N O -","- C26 H25 N O -","- C104 H100 N4 O4 -","4","1","YF3158","Capozzi, Maria Annunziata M.; Terraneo, Giancarlo; Cardellicchio, Cosimo","Structural insights into methyl- or methoxy-substituted 1-(α-aminobenzyl)-2-naphthol structures: the role of C—H···π interactions","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619001050","","","0.71073","MoKα","","0.0597","0.0429","","","0.1056","0.1151","","","","","","1.024","","","","has coordinates,has Fobs","213387","2020-10-21","18:00:00",""
"2021464","11.74","0.003","11.933","0.003","14.662","0.004","90","","90","","90","","2054","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>)-1-{(4-Methoxyphenyl)[(1-phenylethyl)amino]methyl}naphthalen-2-ol","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","YF3158","Capozzi, Maria Annunziata M.; Terraneo, Giancarlo; Cardellicchio, Cosimo","Structural insights into methyl- or methoxy-substituted 1-(α-aminobenzyl)-2-naphthol structures: the role of C—H···π interactions","Acta Crystallographica Section C","2019","75","2","","","10.1107/S2053229619001050","","","0.71073","MoKα","","0.0949","0.052","","","0.0907","0.1044","","","","","","1.005","","","","has coordinates,has Fobs","213387","2020-10-21","18:00:00",""
"2021474","6.6562","0.0003","8.3692","0.0004","12.5687","0.0007","90","","90","","90","","700.17","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ammonium 4-nitro-1<i>H</i>-imidazole-3-carboxylate","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","1","YO3057","Jaćimović, Željko K.; Novaković, Sladjana B.; Bogdanović, Goran A.; Giester, Gerald; Kosović, Milica; Libowitzky, Eugen","First crystal structures of metal complexes with a 4-nitropyrazole-3-carboxylic acid ligand and the third crystal form of the ligand","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001244","","","0.71073","MoKα","","0.0352","0.033","","","0.0839","0.0851","","","","","","1.11","","","","has coordinates,has Fobs","213605","2020-10-21","18:00:00",""
"2021511","8.3889","0.0004","11.9459","0.0006","29.163","0.0015","90","","90","","90","","2922.5","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')magnesium]-μ-2-(3,4-dichlorophenyl)acetato-κ^2^<i>O</i>:<i>O</i>'] 2-(3,4-dichlorophenyl)acetate monohydrate]","","- C28 H24 Cl4 Mg N2 O7 -","- C28 H24 Cl4 Mg N2 O7 -","- C112 H96 Cl16 Mg4 N8 O28 -","4","1","JX3026","Shah, Syed Raza; Shah, Zarbad; Ullah, Najeeb; Hussain, Javid; Al-Harrasi, Rashid; Khan, Ajmal; Rawson, Jeremy M.; Al-Harrasi, Ahmed; Anwar, Muhammad U.","Crystal structure, shape analysis and bioactivity of new Li^I^, Na^I^ and Mg^II^ complexes with 1,10-phenanthroline and 2-(3,4-dichlorophenyl)acetic acid","Acta Crystallographica Section C","2019","75","3","","","10.1107/S2053229619001396","","","0.71073","MoKα","","0.0519","0.0425","","","0.0913","0.0954","","","","","","1.112","","","","has coordinates","213641","2020-10-21","18:00:00",""
"2021531","5.3502","0.0006","11.3531","0.0014","18.063","0.002","90","","90","","90","","1097.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Hydroxyflavone","2-Phenylchromen-4-one","","- C15 H10 O3 -","- C15 H10 O3 -","- C60 H40 O12 -","4","1","FN3295","Schutte-Smith, Marietjie; Roodt, Andreas; Alberto, Roger; Twigge, Linette; Visser, Hendrik Gideon; Kirsten, Leo; Koen, Renier","Structures of rhenium(I) complexes with 3-hydroxyflavone and benzhydroxamic acid as <i>O</i>,<i>O</i>'-bidentate ligands and confirmation of π-stacking by solid-state NMR spectroscopy","Acta Crystallographica Section C","2019","75","4","378","387","10.1107/S2053229619002717","","","0.71073","MoKα","","0.0392","0.0341","","","0.0802","0.0835","","","","","","1.066","","","","has coordinates,has Fobs","214915","2020-10-21","18:00:00",""
"2021589","8.6747","0.0002","18.2437","0.0005","38.6507","0.0009","90","","90","","90","","6116.8","0.3","296","1","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ivabradine hydrochloride tetrahydrate","[3-(7,8-Dimethoxy-2-oxo-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepin-3-yl)propyl]{[3,4-dimethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]methyl}methylazanium tetrahydrate","","- C27 H45 Cl N2 O9 -","- C27 H45 Cl N2 O9 -","- C216 H360 Cl8 N16 O72 -","8","2","QF3025","Zhou, Xin-Bo; Zhu, Jian-Rong; Liu, Ji-Yong; Jin, Zhi-Ping; Tang, Fei-Yu; Hu, Xiu-Rong","Crystal structures and properties of two hydrated conglomerate forms of the heart-rate-lowering agent ivabradine hydrochloride","Acta Crystallographica Section C","2019","75","5","545","553","10.1107/S2053229619004819","","","0.71073","MoKα","","0.1133","0.0427","","","0.0861","0.106","","","","","","0.956","","","","has coordinates,has Fobs","215659","2020-10-21","18:00:00",""
"2021619","10.2769","0.0007","12.2445","0.0007","20.0804","0.0013","90","","90","","90","","2526.8","0.3","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-{(<i>Z</i>)-2-{(<i>Z</i>)-[(1a<i>R</i>,5a<i>R</i>,9a<i>S</i>)-1,1-dichloro-1a,5,5,7-tetramethyl-1a,2,3,4,5,5a,8,9-octahydro-1<i>H</i>-benzo[<i>a</i>]cyclopropa[<i>b</i>][7]annulen-8-ylidene]hydrazono}-4-oxothiazolidin-3-yl)acetate","","- C23 H31 Cl2 N3 O3 S -","- C23 H31 Cl2 N3 O3 S -","- C92 H124 Cl8 N12 O12 S4 -","4","1","YO3060","Bimoussa, Abdoullah; Koumya, Yassine; Abouelfida, Abdesselam; Ait Itto, Moulay Youssef; Benyaich, Abdelaziz; Mentre, Olivier; Ketatni, El Mostafa; Auhmani, Aziz; Auhmani, Abdelwahed","Hemisynthesis, crystal structure and inhibitory effect of sesquiterpenic thiosemicarbazones and thiazolidin-4-ones on the corrosion behaviour of stainless steel in 1<i>M</i> H~2~SO~4~ solution","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005631","","","0.71073","MoKα","","0.0633","0.0381","","","0.0796","0.0886","","","","","","1.03","","","","has coordinates,has disorder","215171","2020-10-21","18:00:00",""
"2021624","7.7005","0.0004","9.2774","0.0005","12.6853","0.0006","90","","90","","90","","906.25","0.08","142","2","142","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Hydroxy-1,4-diazepane-1,4-diium dibromide","","- C5 H14 Br2 N2 O -","- C5 H14 Br2 N2 O -","- C20 H56 Br8 N8 O4 -","4","1","KU3242","Piontek, Mateusz; Morgenstern, Bernd; Steinbrück, Nils; Oberhausen, Bastian; Kickelbick, Guido; Hegetschweiler, Kaspar","HBr or not HBr? That is the question: crystal structure of 6-hydroxy-1,4-diazepane-1,4-diium dibromide redetermined","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619005321","","","0.71073","MoKα","","0.0483","0.0372","","","0.0594","0.0632","","","","","","0.932","","","","has coordinates,has Fobs","215244","2020-10-21","18:00:00",""
"2021657","8.317","0.002","12.657","0.002","16.763","0.003","90","","90","","90","","1764.6","0.6","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(Diphenylphosphoryl)-2-methoxybenzamide","","- C20 H18 N O3 P -","- C20 H18 N O3 P -","- C80 H72 N4 O12 P4 -","4","1","LH5904","Trush, Victor A.; Kariaka, Nataliia S.; Dyakonenko, Viktoriya V.; Shishkina, Svitlana V.; Amirkhanov, Vladimir M.","Crystal structure of N-(diphenylphosphoryl)-2-methoxybenzamide","Acta Crystallographica Section E Crystallographic Communications","2019","75","7","939","","10.1107/S205698901900762X","","x-ray","0.71073","MoKα","","0.0614","0.0434","","","0.1046","0.1129","","","","","","1.11","","","","has coordinates,has Fobs","215710","2020-10-21","18:00:00",""
"2021659","8.5083","0.0005","13.8444","0.001","22.496","0.0012","90","","90","","90","","2649.9","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[[(μ-5-amino-2,4,6-tribromoisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)diaqua[μ-<i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)oxalamide-κ^2^<i>N</i>:<i>N</i>']zinc(II)] monohydrate]","","- C22 H22 Br3 N5 O9 Zn -","- C22 H22 Br3 N5 O9 Zn -","- C88 H88 Br12 N20 O36 Zn4 -","4","1","YF3173","Xu, Jie; Zhang, Kou-Lin","Preparation, characterization and luminescence-sensing properties of two ZnII MOFs with mixed 5-amino-2,4,6-tribromoisophthalic acid and bipyridyl-type ligands","Acta Crystallographica Section C Structural Chemistry","2019","75","7","","","10.1107/S2053229619007435","","","0.71073","MoKα","","0.1097","0.0457","","","0.0688","0.0788","","","","","","0.996","","","","has coordinates,has Fobs","215810","2020-10-21","18:00:00",""
"2021697","4.9552","0.0003","10.8444","0.0006","22.7982","0.0011","90","","90","","90","","1225.09","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Kynurenic acid dimethyl sulfoxide monosolvate","4-Hydroxyquinoline-2-carboxylic acid dimethyl sulfoxide monosolvate","","- C12 H13 N O4 S -","- C12 H13 N O4 S -","- C48 H52 N4 O16 S4 -","4","1","UK3175","Pogoda, Dorota; Janczak, Jan; Pawlak, Sylwia; Zaworotko, Michael; Videnova-Adrabinska, Veneta","Tautomeric polymorphism of the neuroactive inhibitor kynurenic acid","Acta Crystallographica Section C","2019","75","6","793","805","10.1107/S2053229619005990","","","0.71073","MoKα","","0.043","0.036","","","0.0808","0.0849","","","","","","1","","","","has coordinates,has Fobs","216712","2020-10-21","18:00:00",""
"2021737","8.8434","0.0004","15.1918","0.0006","43.0639","0.0017","90","","90","","90","","5785.5","0.4","120","2","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,6-Penta-<i>O</i>-acetyl-α-<i>D</i>-mannopyranose","","- C16 H22 O11 -","- C16 H22 O11 -","- C192 H264 O132 -","12","3","FP3073","Turney, Toby; Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.","Structural properties of <small>D</small>-mannopyranosyl rings containing <i>O</i>-acetyl side-chains","Acta Crystallographica Section C","2019","75","8","1166","1174","10.1107/S2053229619008817","","","1.54178","CuKα","","0.0445","0.042","","","0.1071","0.1095","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","217307","2020-10-21","18:00:00",""
"2021760","7.3009","0.0008","11.0552","0.0011","30.006","0.003","90","","90","","90","","2421.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>R</i>)-2-[(3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl]-1,2-diphenylethanol","","- C30 H29 N O -","- C30 H29 N O -","- C120 H116 N4 O4 -","4","1","FF2162","Ben Ali, Karim; Retailleau, Pascal","Crystal structure of (1S,2R)-2-[(3R,4S)-3-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl]-1,2-diphenylethanol","Acta Crystallographica Section E Crystallographic Communications","2019","75","10","1399","","10.1107/S2056989019011964","","","0.71073","MoKα","","0.0443","0.0379","","","0.0791","0.0828","","","","","","1.072","","","","has coordinates,has Fobs","217959","2020-10-21","18:00:00",""
"2021790","7.347","0.004","10.197","0.006","18.477","0.01","90","","90","","90","","1384.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1mo","(2<i>S</i>)-Methyl (<i>Z</i>)-5-(2-<i>tert</i>-butoxy-1-cyano-2-oxoethylidene)pyrrolidine-2-carboxylate","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","YF3192","Wang, Ai; Englert, Ulli","Absolute structure of the chiral pyrrolidine derivative (2S)-methyl (Z)-5-(2-tert-butoxy-1-cyano-2-oxoethylidene)pyrrolidine-2-carboxylate, a compound with low resonant scattering","Acta Crystallographica Section C Structural Chemistry","2019","75","11","","","10.1107/S2053229619012324","","","0.71073","MoKα","","0.0584","0.0512","","","0.1197","0.1236","","","","","","1.077","","","","has coordinates,has Fobs","219113","2020-10-21","18:00:00",""
"2021791","7.3731","0.0003","10.1909","0.0004","18.4972","0.0007","90","","90","","90","","1389.85","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1cu","","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","YF3192","Wang, Ai; Englert, Ulli","Absolute structure of the chiral pyrrolidine derivative (2S)-methyl (Z)-5-(2-tert-butoxy-1-cyano-2-oxoethylidene)pyrrolidine-2-carboxylate, a compound with low resonant scattering","Acta Crystallographica Section C Structural Chemistry","2019","75","11","","","10.1107/S2053229619012324","","","1.54178","CuKα","","0.0341","0.0315","","","0.0756","0.0771","","","","","","1.104","","","","has coordinates,has Fobs","219113","2020-10-21","18:00:00",""
"2021839","11.887","0.0005","12.2535","0.0005","27.7511","0.0011","90","","90","","90","","4042.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Spiro[fench-2,2'-(2,3-dihydro-1<i>H</i>-quinazolin-4-one)]","(1<i>R</i>,2<i>S</i>,4<i>S</i>)-1,3,3-Trimethyl-1'<i>H</i>-spiro[bicyclo[2.2.1]heptane-2,2'-quinazolin]-4'(3'<i>H</i>)-one","","- C17 H22 N2 O -","- C17 H22 N2 O -","- C136 H176 N16 O8 -","8","2","VP3001","Chernyshov, Vladimir V.; Gatilov, Yuri V.; Yarovaya, Olga I.; Koskin, Igor P.; Yarovoy, Spartak S.; Brylev, Konstantin A.; Salakhutdinov, Nariman F.","The first example of the stereoselective synthesis and crystal structure of a spirobicycloquinazolinone based on (‒)-fenchone and anthranilamide","Acta Crystallographica Section C","2019","75","12","","","10.1107/S2053229619015766","","","0.71073","MoKα","","0.0845","0.0542","","","0.1599","0.1777","","","","","","1.042","","","","has coordinates,has Fobs","243776","2020-10-21","18:00:00",""
"2021846","15.4994","0.001","23.1995","0.0016","25.5787","0.0017","90","","90","","90","","9197.5","1.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[μ-Bis(2,6-diisopropylphenyl) phosphato-1κ<i>O</i>:2κ<i>O</i>']bis[bis(2,6-diisopropylphenyl) phosphato]-1κ<i>O</i>,2κ<i>O</i>-chlorido-2κ<i>Cl</i>-triethanol-1κ^2^<i>O</i>,2κ<i>O</i>-di-μ-ethanolato-1κ^2^<i>O</i>:2κ^2^<i>O</i>-dichromium(<i>Cr</i>—<i>Cr</i>) ethanol monosolvate","","- C84 H136 Cl Cr2 O18 P3 -","- C84 H136 Cl Cr2 O18 P3 -","- C336 H544 Cl4 Cr8 O72 P12 -","4","1","FP3081","Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Komarov, Pavel D.; Vinogradov, Alexey A.; Churakov, Andrei V.; Nifant'ev, Ilya E.; Minyaev, Mikhail E.","Chromium complexes bearing disubstituted organophosphate ligands and their use in ethylene polymerization","Acta Crystallographica Section C","2020","76","1","93","103","10.1107/S2053229619015699","","","0.71073","MoKα","","0.0901","0.0497","","","0.0949","0.1076","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","247889","2020-10-21","18:00:00",""
"2021867","5.739","0.001","7.621","0.002","36.561","0.005","90","","90","","90","","1599.1","0.5","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N S -","- C18 H14 Cl N S -","- C72 H56 Cl4 N4 S4 -","4","1","","Roche, D.; Métin, J.; Madesclaire, M.","(E)-3-(4-Chlorophenyl)-3-cyclopropyl-2-(phenylthio)acrylonitrile","Acta Crystallographica Section C Crystal Structure Communications","1996","52","12","3104","","10.1107/S0108270196007172","","","0.71073","MoKα","","","0.049","","","0.049","","","","","1.34","1.34","","","","","has coordinates","246028","2020-10-21","18:00:00",""
"2021868","6.8175","0.0008","10.762","0.002","13.71","0.002","90","","90","","90","","1005.9","0.3","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bromo-n-propionamido-α-alaninatocopper(II)","","- C6 H11 Br Cu N2 O3 -","- C6 H11 Br Cu N2 O3 -","- C24 H44 Br4 Cu4 N8 O12 -","4","1","DE1047","Chen, W.; Lim, M.-C.","Bromo(n-propionamido-α-alaninato)copper(II) and its Hydrate","Acta Crystallographica Section C Crystal Structure Communications","1997","53","5","537","","10.1107/S0108270196015429","","","0.71073","MoKα","","0.0385","0.0292","","0.0545","0.0516","","","","1.096","1.12","1.12","","","","","has coordinates","246029","2020-10-21","18:00:00",""
"2021869","7.6203","0.0004","10.2094","0.0009","14.045","0.002","90","","90","","90","","1092.68","0.19","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","'Bromo-n-propionamido-α-alaninatocopper(II) hydrate'","","- C6 H13 Br Cu N2 O4 -","- C6 H11 Br Cu N2 O4 -","- C24 H44 Br4 Cu4 N8 O16 -","4","1","DE1047","Chen, W.; Lim, M.-C.","Bromo(n-propionamido-α-alaninato)copper(II) and its Hydrate","Acta Crystallographica Section C Crystal Structure Communications","1997","53","5","537","","10.1107/S0108270196015429","","","0.71073","MoKα","","0.0513","0.0478","","0.1167","0.1148","","","","1.074","1.097","1.097","","","","","has coordinates","246029","2020-10-21","18:00:00",""
"2021878","26.573","0.002","4.8587","0.0002","8.8165","0.0004","90","","90","","90","","1138.3","0.11","293","2","293","2","11800000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","77","","10.1107/S2052519212051147","","","0.71073","MoKα","","0.0727","0.0469","","","0.1091","0.1168","","","","","","1.079","","","","has coordinates","246064","2020-10-21","18:00:00",""
"2021879","26.5733","0.0018","4.7178","0.0002","8.6406","0.0002","90","","90","","90","","1083.25","0.09","293","2","293","2","21000000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","77","","10.1107/S2052519212051147","","","0.71073","MoKα","","0.0865","0.045","","","0.0945","0.1033","","","","","","0.973","","","","has coordinates","246064","2020-10-21","18:00:00",""
"2021880","26.605","0.002","4.6688","0.0002","8.5711","0.0003","90","","90","","90","","1064.65","0.1","293","2","293","2","25000000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","77","","10.1107/S2052519212051147","","","0.71073","MoKα","","0.0869","0.0504","","","0.1169","0.1252","","","","","","0.994","","","","has coordinates","246064","2020-10-21","18:00:00",""
"2021881","26.6068","0.0019","4.6576","0.0002","8.5556","0.0002","90","","90","","90","","1060.24","0.09","293","2","293","2","26300000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","77","","10.1107/S2052519212051147","","","0.71073","MoKα","","0.084","0.0464","","","0.0955","0.104","","","","","","0.994","","","","has coordinates","246064","2020-10-21","18:00:00",""
"2021929","6.8767","0.0001","8.3698","0.0002","32.6317","0.0006","90","","90","","90","","1878.17","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-2-{(<i>E</i>)-[(1<i>H</i>-Indol-3-yl)methylidene]hydrazinylidene}-\ 1,2-diphenylethanone","","- C23 H17 N3 O -","- C23 H17 N3 O -","- C92 H68 N12 O4 -","4","1","FP3080","Tan, Xue-Jie; Wang, Di; Hei, Xiao-Ming; Yang, Feng-Cun; Zhu, Ya-Ling; Xing, Dian-Xiang; Ma, Jian-Ping","Synthesis, crystal structures, antiproliferative activities and reverse docking studies of eight novel Schiff bases derived from benzil","Acta Crystallographica Section C","2020","76","1","44","63","10.1107/S2053229619015687","","","0.71073","MoKα","","0.0369","0.0348","","","0.0932","0.0957","","","","","","1.024","","","","has coordinates,has Fobs","246406","2020-10-21","18:00:00",""
"2021948","15.3994","0.0002","11.5152","0.0001","7.8087","0.0001","90","","90","","90","","1384.69","0.03","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(2,6-Dimethylphenoxy)ethyl]piperidin-4-ol","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C60 H92 N4 O8 -","4","1","FN3328","Żesławska, Ewa; Kalinowska-Tłuścik, Justyna; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Influence of the position of the methyl substituent and <i>N</i>-oxide formation on the geometry and intermolecular interactions of 1-(phenoxyethyl)piperidin-4-ol derivatives","Acta Crystallographica Section C","2020","76","1","30","36","10.1107/S2053229619015948","","x-ray","0.71073","MoKα","","0.0403","0.0346","","","0.0908","0.097","","","","","","0.842","","","","has coordinates,has Fobs","246414","2020-10-21","18:00:00",""
"2021989","11.417","0.0006","12.6782","0.0006","13.2102","0.0007","90","","90","","90","","1912.14","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 N O12 -","- C15 H29 N O12 -","- C60 H116 N4 O48 -","4","1","OP3003","Zhang, Wenhui; Meredith, Reagan J.; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","Glycosidic linkage, <i>N</i>-acetyl side-chain, and other structural properties of methyl 2-acetamido-2-deoxy-β-<small>D</small>-glucopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-mannopyranoside monohydrate and related compounds","Acta Crystallographica Section C","2020","76","3","","","10.1107/S2053229620001515","","","1.54178","CuKα","","0.0453","0.0436","","","0.1147","0.1174","","","","","","1.05","","","","has coordinates,has Fobs","248364","2020-10-21","18:00:00",""
"2021996","6.4917","0.0003","17.5357","0.0007","22.2418","0.0008","90","","90","","90","","2531.93","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-fluorenyl-methylen-xycarbonyl-O-tert-butyl-N-methyl-tyrosine; Fmoc-N-Me-Tyr(t-Bu)-OH","2-{[(9<i>H</i>-Fluoren-9-ylmethoxy)carbonyl](methyl)amino}-3-{4-[(2-hydroxypropan-2-yl)oxy]phenyl}propanoic acid","","- C29 H31 N O5 -","- C29 H31 N O5 -","- C116 H124 N4 O20 -","4","1","QP3039","Bojarska, Joanna; Remko, Milan; Madura, Izabela D.; Kaczmarek, Krzysztof; Zabrocki, Janusz; Wolf, Wojciech M.","Synthesis, experimental and <i>in silico</i> studies of <i>N</i>-fluorenylmethoxycarbonyl-<i>O</i>-<i>tert</i>-butyl-<i>N</i>-methyltyrosine, coupled with CSD data: a survey of interactions in the crystal structures of Fmoc‒amino acids","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620003009","","","0.71073","MoKα","","0.0338","0.0318","","","0.0886","0.0912","","","","","","0.985","","","","has coordinates,has Fobs","249270","2020-10-21","18:00:00",""
"2021997","7.0301","0.0003","17.1705","0.0008","18.8369","0.0009","90","","90","","90","","2273.81","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3'-Fluoro-3'-deoxy-5-methyluridine","","- C10 H13 F N2 O5 -","- C10 H13 F N2 O5 -","- C80 H104 F8 N16 O40 -","8","2","WP3002","Aher, Manisha N.; Erande, Namrata D.; Kumar, Vaijayanti A.; Fernandes, Moneesha; Gonnade, Rajesh G.","Influence of fluorine substitution on the molecular conformation of 3'-deoxy-3'-fluoro-5-methyluridine","Acta Crystallographica Section C","2020","76","4","","","10.1107/S2053229620003083","","","0.71073","MoKα","","0.0306","0.0287","","","0.0661","0.0672","","","","","","1.102","","","","has coordinates","249351","2020-10-21","18:00:00",""
"2022010","9.659","0.001","9.672","0.001","10.739","0.001","90","","90","","90","","1003.26","0.17","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 N2 O7 -","- C6 H14 N2 O7 -","- C24 H56 N8 O28 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0133","0.0133","","","0.0331","0.0331","","","","","","1.0274","","","","has coordinates","250589","2020-10-21","18:00:00",""
"2022011","9.902","0.003","9.248","0.003","10.166","0.002","90","","90","","90","","930.9","0.5","9","2","9","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.0558","0.03","","","0.0449","0.0613","","","","","","0.9388","","","","has coordinates","250590","2020-10-21","18:00:00",""
"2022012","11.624","0.002","16.748","0.003","24.018","0.005","90","","90","","90","","4675.8","1.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H77.768 N2 O15.884 -","- C41 H77.768 N2 O15.884 -","- C164 H311.072 N8 O63.536 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56","synchrotron","","0.023","0.023","","","0.0592","0.0592","","","","","","1.0854","","","","has coordinates","250591","2020-10-21","18:00:00",""
"2022013","5.2951","0.0003","8.1213","0.0004","27.256","0.002","90","","90","","90","","1172.09","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.54","Synchrotron","","0.0204","0.0201","","","0.0484","0.0485","","","","","","1.0996","","","","has coordinates","250592","2020-10-21","18:00:00",""
"2022018","5.789","0.0008","5.9387","0.0007","12.2516","0.0014","90","","90","","90","","421.2","0.09","23","1","23","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0102","0.0101","","","0.0238","0.0239","","","","","","1.2342","","","","has coordinates","250597","2020-10-21","18:00:00",""
"2022021","9.866","0.007","9.25","0.007","10.149","0.006","90","","90","","90","","926.2","1.1","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.0273","0.0247","","","0.051","0.0516","","","","","","1.0882","","","","has coordinates","250600","2020-10-21","18:00:00",""
"2022023","7.984","0.002","9.535","0.003","18.352","0.005","90","","90","","90","","1397.1","0.7","23","2","23","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C52 H76 N12 O24 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0356","0.0356","","","0.0425","0.0425","","","","","","0.9844","","","","has coordinates","250602","2020-10-21","18:00:00",""
"2022028","9.853","0.004","9.251","0.005","10.145","0.002","90","","90","","90","","924.7","0.7","30","2","30","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.03","0.0263","","","0.0546","0.0555","","","","","","1.0868","","","","has coordinates","250607","2020-10-21","18:00:00",""
"2022029","9.884","0.006","9.253","0.006","10.155","0.003","90","","90","","90","","928.7","0.9","75","2","75","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.0307","0.0267","","","0.0679","0.0691","","","","","","1.0666","","","","has coordinates","250608","2020-10-21","18:00:00",""
"2022030","7.4541","0.0015","9.4918","0.0019","9.7287","0.0019","90","","90","","90","","688.3","0.2","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5259","synchrotron","","0.0137","0.0132","","","0.0321","0.0322","","","","","","1.0669","","","","has coordinates","250609","2020-10-21","18:00:00",""
"2022031","7.431","0.006","13.769","0.009","14.944","0.013","90","","90","","90","","1529","2","25","","25","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKa","","0.0178","0.0147","","","0.0318","0.0324","","","","","","0.7185","","","","has coordinates","250610","2020-10-21","18:00:00",""
"2022034","6.6558","0.0001","7.8903","0.0001","8.6069","0.0001","90","","90","","90","","452.002","0.01","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKa","","0.0234","0.0177","","","0.0404","0.0482","","","","","","1.0182","","","","has coordinates","250613","2020-10-21","18:00:00",""
"2022036","10.128","0.001","12.486","0.001","19.507","0.001","90","","90","","90","","2466.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N6 O7 -","- C22 H36 N6 O7 -","- C88 H144 N24 O28 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5583","Synchrotron","","0.0173","0.0172","","","0.0392","0.0393","","","","","","1.1634","","","","has coordinates","250615","2020-10-21","18:00:00",""
"2022037","7.4587","0.0007","9.4928","0.0009","9.725","0.0009","90","","90","","90","","688.57","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5259","synchrotron","","0.0154","0.0152","","","0.0345","0.0346","","","","","","1.1898","","","","has coordinates","250616","2020-10-21","18:00:00",""
"2022040","6.825","0.0014","9.042","0.0018","21.728","0.004","90","","90","","90","","1340.9","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H21 N3 O5 -","- C11 H21 N3 O5 -","- C44 H84 N12 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.56","Synchrotron","","0.0333","0.0261","","","0.0451","0.0462","","","","","","1.2975","","","","has coordinates","250619","2020-10-21","18:00:00",""
"2022042","9.1735","0.0001","11.4736","0.0002","5.4171","0.0001","90","","90","","90","","570.166","0.016","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0156","0.0152","","","0.0356","0.0359","","","","","","1.1821","","","","has coordinates","250621","2020-10-21","18:00:00",""
"2022043","9.854","0.0002","9.249","0.0002","10.144","0.0002","90","","90","","90","","924.52","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5166","synchrotron","","0.0271","0.0246","","","0.0489","0.0495","","","","","","1.0988","","","","has coordinates","250622","2020-10-21","18:00:00",""
"2022044","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0101","0.01","","","0.0247","0.0247","","","","","","1.0759","","","","has coordinates","250623","2020-10-21","18:00:00",""
"2022045","7.235","0.002","13.056","0.004","14.415","0.004","90","","90","","90","","1361.6","0.7","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.028","0.0272","","","0.0416","0.042","","","","","","0.6573","","","","has coordinates","250624","2020-10-21","18:00:00",""
"2022051","7.4871","0.0016","9.4966","0.0019","9.7078","0.0019","90","","90","","90","","690.2","0.2","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5259","synchrotron","","0.0138","0.0135","","","0.0299","0.03","","","","","","1.1373","","","","has coordinates","250630","2020-10-21","18:00:00",""
"2022056","7.875","0.002","9.892","0.002","18.843","0.004","90","","90","","90","","1467.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.6","synchrotron","","0.0156","0.0155","","","0.0385","0.0385","","","","","","1.1819","","","","has coordinates","250635","2020-10-21","18:00:00",""
"2022059","7.4583","0.0016","9.4892","0.0019","9.7301","0.0019","90","","90","","90","","688.6","0.2","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.5259","synchrotron","","0.0129","0.0129","","","0.0277","0.0277","","","","","","1.1768","","","","has coordinates","250638","2020-10-21","18:00:00",""
"2022061","4.0515","0.0002","10.1749","0.0007","17.6519","0.0009","90","","90","","90","","727.67","0.07","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 O S -","- C9 H6 O S -","- C36 H24 O4 S4 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71073","MoKα","","0.0283","0.0265","","","0.0636","0.0642","","","","","","0.9945","","","","has coordinates","250640","2020-10-21","18:00:00",""
"2022066","4.8462","0.0019","13.901","0.006","16.316","0.007","90","","90","","90","","1099.2","0.8","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C40 H56 N8 O20 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.7107","MoKα","","0.0213","0.019","","","0.0443","0.0449","","","","","","0.9073","","","","has coordinates","250645","2020-10-21","18:00:00",""
"2022078","9.572","0.003","10.039","0.003","10.548","0.003","90","","90","","90","","1013.6","0.5","110","5","110","5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 N2 O6 -","- C6 H16 N2 O6 -","- C24 H64 N8 O24 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.71068","MoKα","","0.0136","0.0128","","","0.0289","0.0291","","","","","","0.9561","","","","has coordinates","250657","2020-10-21","18:00:00",""
"2022081","5.4315","0.0001","9.8019","0.0001","17.3505","0.0002","90","","90","","90","","923.72","0.02","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H15 Cl N2 O3 -","- C6 H15 Cl N2 O3 -","- C24 H60 Cl4 N8 O12 -","4","1","","Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria","TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2020","76","3","","","10.1107/S2052520620002917","","","0.475","synchrotron","","0.0147","0.0145","","","0.0367","0.0368","","","","","","1.1883","","","","has coordinates","250660","2020-10-21","18:00:00",""
"2022142","4.64835","0.00006","16.4123","0.0002","18.329","0.0003","90","","90","","90","","1398.32","0.03","100.01","0.1","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Wogonin Monohydrate","5,7-Dihydroxy-8-methoxy-2-phenyl-4<i>H</i>-chromen-4-one monohydrate","","- C16 H14 O6 -","- C16 H14 O6 -","- C64 H56 O24 -","4","1","WP3006","De Grano, Ruel Valerio Robles; Vashchenko, Elena V.; Nisar, Madiha; Sung, Herman H.-Y.; Vashchenko, Valerii V.; Williams, Ian D.","Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin","Acta Crystallographica Section C","2020","76","5","490","499","10.1107/S2053229620005550","","x-ray","1.54184","CuKα","","0.0226","0.022","","","0.0589","0.0593","","","","","","1.032","","","","has coordinates,has Fobs","252948","2020-10-21","18:00:00",""
"2022215","4.824","0.0011","8.2685","0.0019","26.527","0.01","90","","90","","90","","1058.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","","- C10 H11 N5 O -","- C10 H11 N5 O -","- C40 H44 N20 O4 -","4","1","KU3265","Shishkina, Svitlana V.; Konovalova, Irina S.; Karpina, Veronika R.; Kovalenko, Svitlana S.; Kovalenko, Sergiy M.; Bunyatyan, Natalya D.","Concomitant polymorphic forms of 3-cyclopropyl-5-(2-hydrazinylpyridin-3-yl)-1,2,4-oxadiazole","Acta Crystallographica Section C","2020","76","8","","","10.1107/S2053229620010414","","","0.71073","MoKα","","0.0909","0.0512","","","0.0997","0.1194","","","","","","0.99","","","","has coordinates,has Fobs","254703","2020-10-21","18:00:00",""
"2022219","10.40272","0.00013","17.5277","0.0003","30.9259","0.0004","90","","90","","90","","5638.9","0.14","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetraethylazanium 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane 6.375-hydrate","","- C16 H44.75 B N5 O14.375 -","- C16 H44.75 B N5 O14.375 -","- C128 H358 B8 N40 O115 -","8","2","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0352","0.032","","","0.08","0.0819","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","255156","2020-10-21","18:00:00",""
"2022221","10.41666","0.00015","15.3809","0.0002","18.0053","0.0003","90","","90","","90","","2884.77","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sparteinium spiroborate ethanol monosolvate","7-Aza-15-azoniatetracyclo[7.7.1.0^2,7^.0^10,15^]heptadecane 2,3,7,8-tetracarboxamido-1,4,6,9-tetraoxa-5λ^4^-boraspiro[4.4]nonane ethanol monosolvate","","- C25 H45 B N6 O9 -","- C25 H45 B N6 O9 -","- C100 H180 B4 N24 O36 -","4","1","FM3065","Soecipto, Aristyo; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Williams, Ian D.","Chiral anionic layers in tartramide spiroborate salts and variable solvation for [N<i>R</i>~4~][B(TarNH~2~)~2~] (<i>R</i> = Et, Pr or Bu)","Acta Crystallographica Section C","2020","76","7","695","705","10.1107/S2053229620008384","","x-ray","1.54184","CuKα","","0.0276","0.0258","","","0.0669","0.0678","","","","","","1.038","","","","has coordinates,has Fobs","255156","2020-10-21","18:00:00",""
"2022244","7.366","0.0004","12.8932","0.0006","14.9661","0.0007","90","","90","","90","","1421.35","0.12","298.15","","298.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4a<i>S</i>,5<i>R</i>,8a<i>R</i>,9a<i>S</i>)-9a-Hydroxy-3,4a,5-trimethyl-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-<i>b</i>]furan-2,8-dione","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","YP3206","Arancibia, Luz; Naspi, Mariana; Pucci, Graciela; Rodriguez, Maricel; Di Salvo, Florencia","Revisiting the absolute chirality and polymorphism of (‒)-Istanbulin A","Acta Crystallographica Section C","2020","76","9","","","10.1107/S2053229620011493","","x-ray","1.54184","CuKα","","0.0719","0.0519","","","0.1252","0.1505","","","","","","1.08","","","","has coordinates,has Fobs","255739","2020-10-21","18:00:00",""
"2022245","4.5999","0.0005","10.2684","0.001","18.711","0.002","90","","90","","90","","883.79","0.16","210","2","210","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-{[(Isoxazol-3-yl)imino]methyl}phenol","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","WV3001","Mason, Helen E.; Howard, Judith A. K.; Sparkes, Hazel A.","Synthesis and structures of three isoxazole-containing Schiff bases","Acta Crystallographica Section C","2020","76","9","927","931","10.1107/S2053229620010530","","x-ray","0.71073","MoKα","","0.0378","0.0321","","","0.0798","0.0831","","","","","","1.078","","","","has coordinates,has Fobs","255750","2020-10-21","18:00:00",""
"2022265","11.1584","0.0008","13.6425","0.0014","36.061","0.004","90","","90","","90","","5489.5","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bedaquline","1-(6-Bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)- 2-(naphthalen-1-yl)-1-phenylbutan-2-ol","","- C32 H31 Br N2 O2 -","- C32 H31 Br N2 O2 -","- C256 H248 Br8 N16 O16 -","8","2","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0836","0.0441","","","0.0985","0.1111","","","","","","1.027","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:22",""
"2022267","4.3606","0.0006","10.82","0.002","29.886","0.011","90","","90","","90","","1410.1","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Benzyl-6-bromo-2-methoxyquinoline","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","OV3143","Okezue, Mercy; Smith, Daniel; Zeller, Matthias; Byrn, Stephen R.; Smith, Pamela; Bogandowich-Knipp, Susan; Purcell, Dale K.; Clase, Kari L.","Crystal structures of salts of bedaquiline","Acta Crystallographica Section C","2020","76","11","","","10.1107/S2053229620013455","","","0.71073","MoKα","","0.0314","0.0234","","","0.054","0.0565","","","","","","1.051","","","","has coordinates,has Fobs","258573","2020-10-23","04:36:27",""
"2022272","8.6186","0.0007","12.25","0.001","13.5681","0.0011","90","","90","","90","","1432.5","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Trichloridobis(diethyl ether)oxidomolybdenum(V)","","- C8 H20 Cl3 Mo O3 -","- C8 H20 Cl3 Mo O3 -","- C32 H80 Cl12 Mo4 O12 -","4","1","EF3009","Shaw, Thomas E.; LeMagueres, Pierre; Sattelberger, Alfred P.; Jurca, Titel","Crystal structure and Hirshfeld surface analysis of the elusive trichlorobis(diethyl ether)oxomolybdenum(V)","Acta Crystallographica Section C","2020","76","10","947","951","10.1107/S2053229620011626","","","0.71073","MoKα","","0.0362","0.0327","","","0.0678","0.0692","","","","","","1.009","","","","has coordinates,has Fobs","259015","2020-11-06","22:58:30",""
"2022297","3.9876","0.0005","10.6511","0.0013","25.107","0.002","90","","90","","90","","1066.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 4-amino-3-phenylisothiazole-5-carboxylate","","- C11 H10 N2 O2 S -","- C11 H10 N2 O2 S -","- C44 H40 N8 O8 S4 -","4","1","VP3011","Shishkina, Svitlana V.; Konovalova, Irina S.; Kovalenko, Sergiy M.; Kravchenko, Dmitriy V.; Bunyatyan, Natalya D.","Polymorphism of methyl 4-amino-3-phenylisothiazole-5-carboxylate: an experimental and theoretical study","Acta Crystallographica Section C","2021","77","1","40","48","10.1107/S2053229620016356","","","0.71073","MoKα","","0.0708","0.0551","","","0.1409","0.1609","","","","","","1.075","","","","has coordinates,has Fobs","261801","2021-02-05","14:53:46",""
"2022311","11.4069","0.0004","17.9819","0.0007","19.1565","0.0007","90","","90","","90","","3929.3","0.3","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C176 H240 O32 -","8","2","","Skell, Jeffrey M.; Kahn, Michael; Foxman, Bruce M.","Δ^9^-Tetrahydrocannabinolic acid A, the precursor to Δ^9^-tetrahydrocannabinol (THC)","Acta Crystallographica Section C","2021","77","2","84","89","10.1107/S2053229621000280","","","0.71073","MoKα","","0.0357","0.0333","","0.0863","0.0838","0.0863","","","","","","0.9977","","","","has coordinates","262763","2021-03-05","18:41:44",""
"2022325","5.72152","0.00009","7.90017","0.00017","20.2729","0.0004","90","","90","","90","","916.35","0.03","295","1","295","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Chloro-4-nitroanilinium bromide","","- C6 H6 Br Cl N2 O2 -","- C6 H6 Br Cl N2 O2 -","- C24 H24 Br4 Cl4 N8 O8 -","4","1","DV3005","Medviediev, Volodymyr; Daszkiewicz, Marek","Structural and theoretical analysis of 2-chloro-4-nitroaniline and 2-methyl-6-nitroaniline salts","Acta Crystallographica Section C","2021","77","3","125","136","10.1107/S2053229621001455","","x-ray","0.71073","MoKα","","0.0366","0.0278","","","0.0598","0.0623","","","","","","1.127","","","","has coordinates,has Fobs","263878","2021-04-06","01:16:16",""
"2022331","7.631","0.002","10.877","0.002","36.025","0.008","90","","90","","90","","2990.2","1.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,1''-(Phenylphosphanediyl)bis{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-\ (acetyloxy)ethyl]ferrocene}","","- C34 H35 Fe2 O4 P -","- C34 H35 Fe2 O4 P -","- C136 H140 Fe8 O16 P4 -","4","1","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","","0.71073","MoKα","","0.0984","0.0653","","","0.1108","0.1221","","","","","","1.043","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022332","7.4923","0.0003","12.0133","0.0004","31.758","0.001","90","","90","","90","","2858.45","0.17","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","monohydroxymonoacetatephosphinesulfide","{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-(Acetyloxy)ethyl]ferrocen-1-yl}[(2<i>S</i>~p~)-2-ethenylferrocen-1-yl]phenyl-(<i>S</i>)-phosphane sulfide","","- C32 H31 Fe2 O2 P S -","- C32 H31 Fe2 O2 P S -","- C128 H124 Fe8 O8 P4 S4 -","4","1","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","x-ray","0.71073","MoKα","","0.0449","0.0321","","","0.0583","0.0615","","","","","","1.043","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022333","7.5285","0.0003","17.6463","0.0007","39.3333","0.0015","90","","90","","90","","5225.4","0.4","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","monovinylmonohydroxyphosphinesulfide","[(2<i>S</i>~p~)-2-Ethenylferrocen-1-yl]{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-hydroxyethyl]ferrocen-1-yl}phenyl-(<i>S</i>)-phosphane sulfide","","- C30 H29 Fe2 O P S -","- C30 H29 Fe2 O P S -","- C240 H232 Fe16 O8 P8 S8 -","8","2","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","x-ray","0.71073","MoKα","","0.0747","0.0555","","","0.1256","0.1367","","","","","","1.037","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022334","7.8204","0.0011","17.835","0.003","20.394","0.002","90","","90","","90","","2844.5","0.7","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","monohydroxymonoacetatephosphinesulfide","{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-(Acetyloxy)ethyl]ferrocen-1-yl}{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-hydroxyethyl]ferrocen-1-yl}phenyl-(<i>R</i>)-phosphane sulfide","","- C32 H33 Fe2 O3 P S -","- C32 H33 Fe2 O3 P S -","- C128 H132 Fe8 O12 P4 S4 -","4","1","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","x-ray","0.71073","MoKα","","0.1139","0.054","","","0.077","0.0928","","","","","","1.019","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022335","12.3578","0.0009","14.4342","0.001","17.4796","0.0015","90","","90","","90","","3117.9","0.4","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","mono-N-benzylmonovinylphosphinesulfide","{(2<i>S</i>~p~)-2-[(1<i>R</i>)-1-Benzylamino)ethyl]ferrocen-1-yl}[(2<i>S</i>~p~)-2-ethenylferrocen-1-yl]phenyl-(<i>S</i>)-phosphane sulfide","","- C37 H36 Fe2 N P S -","- C37 H36 Fe2 N P S -","- C148 H144 Fe8 N4 P4 S4 -","4","1","ZO3008","Honegger, Philipp; Roller, Alexander; Widhalm, Michael","Synthesis and characterization of enantiopure planar‒chiral phosphorus-linked diferrocenes","Acta Crystallographica Section C","2021","77","3","152","160","10.1107/S2053229621001996","","x-ray","0.71073","MoKα","","0.0614","0.0404","","","0.0823","0.0905","","","","","","0.982","","","","has coordinates,has Fobs","263877","2021-04-06","01:16:07",""
"2022347","4.9712","0.0001","20.1758","0.0002","22.7451","0.0003","90","","90","","90","","2281.29","0.06","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2,6-Difluorobenzoyl)-<i>N</i>',<i>N</i>''-bis[(<i>R</i>)-(+)-α-ethylbenzyl]phosphoric triamide","","- C25 H28 F2 N3 O2 P -","- C25 H28 F2 N3 O2 P -","- C100 H112 F8 N12 O8 P4 -","4","1","FP3087","Lal Zakaria, Negin; Pourayoubi, Mehrdad; Eghbali Toularoud, Mahsa; Dušek, Michal; Skorepova, Eliska","Structural differences/similarities of diastereotopic groups in three new chiral phosphoramides","Acta Crystallographica Section C","2021","77","4","186","196","10.1107/S2053229621002047","","","1.54184","CuKα","","0.031","0.0299","","0.0781","0.0773","0.0781","","","","","","0.916","","","","has coordinates,has Fobs","263428","2021-03-30","04:51:44",""
"2022349","6.8378","0.0004","11.4334","0.0007","12.7595","0.0008","90","","90","","90","","997.53","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-Deoxycytidine","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C36 H52 N12 O16 -","4","1","VP3014","Budow-Busse, Simone; Chai, Yingying; Müller, Sebastian Lars; Daniliuc, Constantin; Seela, Frank","The α-<small>D</small>-anomer of 2'-deoxycytidine: crystal structure, nucleoside conformation and Hirshfeld surface analysis","Acta Crystallographica Section C","2021","77","5","202","208","10.1107/S2053229621003430","","","1.54178","CuKα","","0.0257","0.0248","","","0.0601","0.0609","","","","","","1.124","","","","has coordinates,has Fobs","266207","2021-06-06","16:15:44",""
"2022362","3.77379","0.00004","5.63483","0.00004","32.9783","0.0002","90","","90","","90","","701.273","0.01","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-Chloropicolinohydrazonamide","<i>N</i>'-Amino-6-chloropyridine-2-carboximidamide","","- C6 H7 Cl N4 -","- C6 H7 Cl N4 -","- C24 H28 Cl4 N16 -","4","1","FM3063","Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej","Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives","Acta Crystallographica, Section C","2020","76","7","673","680","10.1107/S2053229620007822","","x-ray","1.54184","CuKα","","0.0208","0.0206","","","0.0563","0.0564","","","","","","1.081","","","","has coordinates,has Fobs","264474","2021-04-23","09:55:35",""
"2022413","6.37386","0.00006","12.10746","0.00011","33.8928","0.0003","90","","90","","90","","2615.55","0.04","160","2","160","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(20S,24R)-ocotillone","(5<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>R</i>,13<i>R</i>,14<i>R</i>,17<i>S</i>)-17-[(2<i>S</i>,5<i>R</i>)-5-(2-Hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[<i>a</i>]phenanthren-3-one","","- C30 H50 O3 -","- C30 H50 O3 -","- C120 H200 O12 -","4","1","OV3154","Toklo, Placide M.; Yayi Ladekan, Eléonore; Linden, Anthony; Hounzangbe-Adote, Sylvie; Kouam, Siméon F.; Gbenou, Joachim D.","Anthelmintic flavonoids and other compounds from <i>Combretum glutinosum</i> Perr. ex DC (Combretaceae) leaves","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621007841","","x-ray","1.54184","CuKα","","0.033","0.0322","","","0.0883","0.0892","","","","","","1.03","","","","has coordinates,has Fobs","267987","2021-08-07","04:21:13",""
"2022420","7.1699","0.0001","22.148","0.0003","29.8734","0.0005","90","","90","","90","","4743.86","0.12","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5α,14α-Androstane, Form II w/ impurity","5α,14α-Androstane, Form II w/ impurity","","- C57 H94 O -","- C57 H94 O -","- C228 H376 O4 -","4","1","YP3218","Crittenden, Christopher M.; DiPasquale, Antonio G.","Two crystallographic forms and the absolute structure of 5α,14α-androstane","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008408","","","1.54184","CuKα","","0.0478","0.0445","","","0.1106","0.1122","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","268157","2021-08-21","01:46:32",""
"2022421","7.1465","0.0001","22.2064","0.0001","30.0679","0.0001","90","","90","","90","","4771.72","0.07","90","2","90","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","Androstane Form II Pure","5α,14α-Androstane","","- C19 H32 -","- C19 H32 -","- C228 H384 -","12","3","YP3218","Crittenden, Christopher M.; DiPasquale, Antonio G.","Two crystallographic forms and the absolute structure of 5α,14α-androstane","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008408","","","1.54184","CuKα","","0.0305","0.0301","","","0.0797","0.0799","","","","","","1.034","","","","has coordinates,has Fobs","268157","2021-08-21","01:46:32",""
"2022429","8.6256","0.0012","9.668","0.0013","30.557","0.004","90","","90","","90","","2548.2","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Quininium aspirinate","(<i>R</i>)-[(2<i>S</i>,4<i>S</i>,5<i>R</i>)-5-Ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanol 2-acetoxybenzoate","","- C29 H32 N2 O6 -","- C29 H32 N2 O6 -","- C116 H128 N8 O24 -","4","1","EP3016","Harris, Nehemiah; Benedict, Jubilee; Dickie, Diane A.; Pagola, Silvina","Mechanochemical synthesis insights and solid-state characterization of quininium aspirinate, a glass-forming drug‒drug salt","Acta Crystallographica Section C","2021","77","9","","","10.1107/S2053229621008275","","","0.71073","MoKα","","0.058","0.0399","","","0.0739","0.0798","","","","","","1.052","","","","has coordinates,has Fobs","268225","2021-08-26","02:02:25",""
"2022482","6.7605","0.0006","15.065","0.001","16.0849","0.0009","90","","90","","90","","1638.2","0.2","150","0.12","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4-Methylphenyl)[1-(pentafluorophenyl)-5-(trifluoromethyl)-1<i>H</i>-1,2,3-triazol-4-yl]methanone","","- C17 H7 F8 N3 O -","- C17 H7 F8 N3 O -","- C68 H28 F32 N12 O4 -","4","1","HB7985","Pokhodylo, Nazariy T.; Slyvka, Yurii; Goreshnik, Evgeny; Lytvyn, Roman","Synthesis, crystal structure and Hirshfeld surface analysis of (4-methylphenyl)[1-(pentafluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanone","Acta Crystallographica Section E Crystallographic Communications","2021","77","11","","","10.1107/S2056989021010070","","","1.54184","CuKα","","0.0778","0.0469","","","0.092","0.1088","","","","","","1.032","","","","has coordinates,has Fobs","269597","2021-10-06","01:44:12",""
"2022497","7.1209","0.0005","12.1988","0.0012","20.1202","0.0018","90","","90","","90","","1747.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Acridin-1-ium 4-aminosalicylate","Acridin-1-ium 4-amino-2-hydroxybenzoate","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C80 H64 N8 O12 -","4","1","EF3021","Suganya, Suresh; Saravanan, Kandasamy; Jaganathan, Ramakrishnan; Kumaradhas, Poomani","Salt formation, hydrogen-bonding patterns and supramolecular architectures of acridine with salicylic and hippuric acid molecules","Acta Crystallographica Section C","2021","77","12","790","799","10.1107/S2053229621011189","","x-ray","0.71073","MoKα","","0.0408","0.0369","","","0.1069","0.1124","","","","","","1.072","","","","has coordinates,has Fobs","271877","2022-01-06","22:35:09",""
"2022518","5.4591","0.0003","9.6001","0.0004","25.0301","0.0015","90","","90","","90","","1311.78","0.12","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Methoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2-Methoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C16 H16 O S -","- C16 H16 O S -","- C64 H64 O4 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.0724","0.0484","","","0.084","0.0942","","","","","","1.007","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:09",""
"2022519","5.1311","0.0003","9.1135","0.0006","28.4","0.003","90","","90","","90","","1328.05","0.18","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Methoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(3-Methoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C16 H16 O S -","- C16 H16 O S -","- C64 H64 O4 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.0675","0.057","","","0.0904","0.0985","","","","","","1.143","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022523","5.4341","0.0002","13.322","0.0005","20.9587","0.0012","90","","90","","90","","1517.26","0.12","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4-Dimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2,4-Dimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C68 H72 O8 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","x-ray","0.71073","MoKα","","0.0738","0.0481","","","0.0821","0.0915","","","","","","1.036","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022524","5.3187","0.0003","8.3866","0.0007","36.019","0.002","90","","90","","90","","1606.66","0.18","100","1","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4,5-Trimethoxy-4'-methylsulfanyl-<i>trans</i>-stilbene","1-[(<i>E</i>)-2-(2,4,5-Trimethoxyphenyl)ethenyl]-4-(methylsulfanyl)benzene","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C72 H80 O12 S4 -","4","1","WP3023","Grześkiewicz, Anita M.; Stefański, Tomasz; Dutkiewicz, Zbigniew; Kubicki, Maciej","Weak intermolecular interactions in a series of biologically active 4'-methylthio-<i>trans</i>-stilbenes","Acta Crystallographica Section C","2022","78","2","","","10.1107/S2053229622000420","","","0.7107","MoKα","","0.1218","0.0645","","","0.08","0.0948","","","","","","0.859","","","","has coordinates,has Fobs","272243","2022-01-26","02:53:10",""
"2022542","5.3043","0.0004","11.1405","0.0008","22.6067","0.0018","90","","90","","90","","1335.89","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Furylimidazolo-2'-deoxycytidine","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","1","CU3177","Budow-Busse, Simone; Jana, Sunit K.; Kondhare, Dasharath; Daniliuc, Constantin; Seela, Frank","8-Furylimidazolo-2'-deoxycytidine: crystal structure, packing, atropisomerism and fluorescence","Acta Crystallographica Section C","2022","78","3","","","10.1107/S2053229622001000","","","1.54178","CuKα","","0.0914","0.0527","","","0.1231","0.1419","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","272901","2022-02-10","02:59:02",""
"2022572","13.8013","0.0008","14.5077","0.0008","17.1208","0.001","90","","90","","90","","3428","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[triaqua(μ~4~-(2<i>R</i>,2'<i>R</i>)-2,2'-{[1,4-phenylenebis(carbonyl)]bis(azanediyl)}dipropionato-κ^7^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^,<i>O</i>^4''^)(μ~3~-(2<i>R</i>,2'<i>R</i>)-2,2'-{[1,4-phenylenebis(carbonyl)]bis(azanediyl)}dipropionato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4^)dicadmium(II)] dihydrate]","","- C28 H38 Cd2 N4 O17 -","- C28 H38 Cd2 N4 O17 -","- C112 H152 Cd8 N16 O68 -","4","1","LF3123","Zhang, Hong-Tao; Wang, Xiao-Long","A new three-dimensional twofold interpenetrated cadmium(II) metal–organic framework: synthesis, structure and photoluminescence properties","Acta Crystallographica Section C","2021","77","11","691","697","10.1107/S2053229621010524","","","0.71073","MoKα","","0.0213","0.0198","","","0.047","0.0477","","","","","","1.036","","","","has coordinates,has Fobs","273080","2022-02-22","02:57:30",""
"2022574","12.3585","0.0006","12.6","0.0006","18.0846","0.0008","90","","90","","90","","2816.1","0.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Barium dicalcium hexakis(propanoate)","Poly[hexakis-μ-propanoato-bariumdicalcium]","","- C18 H30 Ba Ca2 O12 -","- C18 H30.0012 Ba Ca2 O12 -","- C72 H120.005 Ba4 Ca8 O48 -","4","1","JX3066","Fábry, Jan; Dušek, Michal","Low-temperature phases of dicalcium barium hexakis(propanoate)","Acta Crystallographica Section C","2021","77","11","683","690","10.1107/S205322962101024X","","x-ray","0.71073","MoKα","","0.0314","0.0277","","","0.0603","0.0612","","","","1.69","1.69","1.65","","","","has coordinates,has Fobs","273081","2022-02-22","02:58:33",""
"2022577","7.86","0.0016","16.233","0.0009","23.103","0.002","90","","90","","90","","2947.7","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound (I)","<i>catena</i>-Poly[[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-2,3-bis(benzoyloxy)butanedioato-κ^2^<i>O</i>^2^:<i>O</i>^3^] dihydrate]","","- C28 H28 Mn N2 O12 -","- C28 H28 Mn N2 O12 -","- C112 H112 Mn4 N8 O48 -","4","1","QF3051","Jiao, Yuan; Jin, Fu-Ning; Feng, Si-Si; Wang, Ai; Englert, Ulli","Synthesis, crystal structure and magnetic properties of a one-dimensional Mn^2+^ complex constructed from (+)-dibenzoyltartaric acid and 2,2'-bipyridine","Acta Crystallographica Section C","2021","77","11","707","712","10.1107/S2053229621010627","","","0.75","synchrotron","","0.0442","0.0424","","","0.1098","0.1113","","","","","","1.038","","","","has coordinates,has Fobs","273084","2022-02-22","03:00:40",""
"2022578","14.438","0.003","8.555","0.002","21.315","0.004","90","","90","","90","","2632.8","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[μ~2~-4,4'-bis(2-methylimidazol-1-yl)-[1,1'-biphenyl]](μ~2~-5-methylisophthalato)cadmium(II)]","","- C29 H24 Cd N4 O4 -","- C29 H24 Cd N4 O4 -","- C116 H96 Cd4 N16 O16 -","4","1","QF3049","Chen, Hui-Ru","A cadmium(II) coordination polymer with a fivefold interpenetrating diamondoid three-dimensional framework: synthesis, crystal structure, luminescence and photocatalytic properties","Acta Crystallographica Section C","2021","77","11","734","739","10.1107/S2053229621010639","","","0.71075","MoKα","","0.0401","0.0294","","","0.0572","0.0601","","","","","","1.054","","","","has coordinates,has Fobs","273085","2022-02-22","03:01:13",""
"2022590","4.9935","0.0001","7.1864","0.0002","33.3673","0.0007","90","","90","","90","","1197.4","0.05","300","","300","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-Asaronol, (<i>E</i>)-3'-hydroxyasarone","(<i>E</i>)-3-(2,4,5-Trimethoxyphenyl)prop-2-en-1-ol","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","DV3013","Zhang, Qun-Zheng; Zhong, Zhen-Hua; Hao, Ding; Feng, Ming-Nan; Wang, Si-Chang; Han, Qi-Long; Bai, Yajun; Xu, Danni; Liao, Sha; Xiao, Chaoni; Zhang, Xun-Li; Zheng, Xiaohui","Synthesis, crystal structure and bioactivities of α-asaronol","Acta Crystallographica Section C Structural Chemistry","2022","78","5","","","10.1107/S2053229622003631","","x-ray","1.54178","CuKα","","0.0367","0.0363","","","0.1052","0.1057","","","","","","1.04","","","","has coordinates,has Fobs","274368","2022-04-06","02:03:56",""
"2022617","10.3088","0.0003","12.9337","0.0003","29.6661","0.0007","90","","90","","90","","3955.41","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Turinabol_2,2,2_trifluoroethanol_solvate","4-Chloro-17β-hydroxy-17α-methylandrosta-1,4-dien-3-one 2,2,2_trifluoroethanol hemisolvate","","- C42 H57 Cl2 F3 O5 -","- C42 H57 Cl2 F3 O5 -","- C168 H228 Cl8 F12 O20 -","4","1","VP3023","Turza, Alexandru; Ulici, Adelina; Muresan-Pop, Marieta; Borodi, Gheorghe","Solid forms and β-cyclodextrin complexation of turinabol","Acta Crystallographica Section C","2022","78","5","305","313","10.1107/S2053229622004004","","x-ray","1.54184","CuKα","","0.061","0.0471","","","0.114","0.1279","","","","","","1.043","","","","has coordinates,has Fobs","275878","2022-06-07","13:20:55",""
"2022620","7.2057","0.0003","11.0792","0.0004","41.2346","0.0016","90","","90","","90","","3291.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Phenyltetrahydropyrimido[4,5-<i>c</i>]pyridazine 2'-deoxyribonucleoside","","- C17 H20 N4 O5 -","- C17 H20 N4 O5 -","- C136 H160 N32 O40 -","8","2","CU3182","Mei, Hui; Budow-Busse, Simone; Kondhare, Dasharath; Eickmeier, Henning; Reuter, Hans; Seela, Frank","The 2'-deoxyribofuranoside of 3-phenyltetrahydropyrimido[4,5-<i>c</i>]pyridazin-7-one: a bicyclic nucleoside with sugar residues in <i>N</i> and <i>S</i> conformations, and its molecular recognition","Acta Crystallographica Section C","2022","78","7","","","10.1107/S2053229622005964","","","0.71073","MoKα","","0.063","0.0453","","","0.0893","0.0962","","","","","","1.072","","","","has coordinates,has Fobs","276016","2022-06-14","01:54:22",""
"2022639","7.5679","0.0003","15.25","0.0007","17.5264","0.0007","90","","90","","90","","2022.73","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>'-(Cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide) methanol monosolvate","","- C21 H22 F2 N4 O3 -","- C21 H22 F2 N4 O3 -","- C84 H88 F8 N16 O12 -","4","1","QF3037","OmarAli, Al-Ameen Bariz; Al-Karawi, Ahmed Jasim M.; Awad, Adil A.; Dege, Necmi; Kansız, Sevgi; Agar, Erbil; Hussein, Zaman Ahmed; Mohammed, Iman Rajab","Two new zinc(II) and mercury(II) complexes based on N,N'-(cyclohexane-1,2-diylidene)bis(4-fluorobenzohydrazide): synthesis, crystal structures and antibacterial activities","Acta Crystallographica, Section C: Structural Chemistry","2020","76","5","476","482","10.1107/S2053229620004994","","","0.71073","MoKα","","0.0967","0.0473","","","0.0953","0.111","","","","","","0.964","","","","has coordinates,has Fobs","276705","2022-07-06","22:25:09",""
"2022642","4.3556","0.0002","12.8548","0.0004","25.9904","0.0009","90","","90","","90","","1455.21","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-({(<i>E</i>)-2-[(<i>E</i>)-2,6-Dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol","","- C15 H12 Cl2 N2 O2 -","- C15 H12 Cl2 N2 O2 -","- C60 H48 Cl8 N8 O8 -","4","1","HB7915","Manawar, Rohit B.; Pashavan, Chandankumar T.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures of two dis-symmetric di-Schiff base compounds: 2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol and 4-bromo-2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol","Acta Crystallographica, Section E: Crystallographic Communications","2020","76","6","862","869","10.1107/S2056989020006416","","","0.71073","MoKα","","0.0576","0.0387","","","0.0902","0.0988","","","","","","1.017","","","","has coordinates,has Fobs","276709","2022-07-06","22:39:05",""
"2022670","6.72815","0.00004","11.24661","0.00006","15.51195","0.00008","90","","90","","90","","1173.77","0.011","99.8","0.4","99.8","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hydronium (1<i>S</i>,4<i>R</i>)-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate","","- C10 H18 O5 S -","- C10 H18 O5 S -","- C40 H72 O20 S4 -","4","1","YP3225","Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li","Chemical characterization, absolute configuration and optical purity of (1<i>S</i>)-(+)- and (1<i>R</i>)-(–)-10-camphorsulfonic acid","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008592","","x-ray","1.54184","CuKα","","0.0217","0.0217","","","0.0567","0.0567","","","","","","1.139","","","","has coordinates,has Fobs","277789","2022-09-13","01:50:54",""
"2022671","6.72595","0.00005","11.23408","0.00008","15.51954","0.00011","90","","90","","90","","1172.65","0.015","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hydronium (1<i>R</i>,4<i>S</i>)-(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate","","- C10 H18 O5 S -","- C10 H18 O5 S -","- C40 H72 O20 S4 -","4","1","YP3225","Cheng, Hong; Yan, Dingce; Wu, Liqing; Liang, Ping; Cai, Yuncheng; Li, Li","Chemical characterization, absolute configuration and optical purity of (1<i>S</i>)-(+)- and (1<i>R</i>)-(–)-10-camphorsulfonic acid","Acta Crystallographica Section C","2022","78","10","","","10.1107/S2053229622008592","","x-ray","1.54184","CuKα","","0.0222","0.0222","","","0.0587","0.0587","","","","","","1.139","","","","has coordinates,has Fobs","277789","2022-09-13","01:50:55",""
"2022693","7.1687","0.0004","10.6689","0.0007","23.4887","0.0015","90","","90","","90","","1796.47","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Danofloxacin dihydrate","(1<i>S</i>,4<i>S</i>)-5-(3-Carboxylato-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methyl-2,5-diazabicyclo[2.2.1]heptan-2-ium dihydrate","","- C19 H24 F N3 O5 -","- C19 H24 F N3 O5 -","- C76 H96 F4 N12 O20 -","4","1","VP3026","Felczak, Aleksandra; Kalinowska-Lis, Urszula; Kusz, Joachim; Checińska, Lilianna","Zwitterionic <i>versus</i> neutral molecules of fluoroquinolones: crystal structure of danofloxacin dihydrate","Acta Crystallographica Section C","2022","78","12","","","10.1107/S2053229622010300","","x-ray","0.71073","MoKα","","0.0539","0.0426","","","0.1038","0.1081","","","","","","1.006","","","","has coordinates,has Fobs","279170","2022-11-10","02:46:34",""
"2022694","7.1815","0.0002","10.684","0.0003","23.5104","0.0007","90","","90","","90","","1803.89","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Danofloxacin dihydrate","(1<i>S</i>,4<i>S</i>)-5-(3-Carboxylato-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methyl-2,5-diazabicyclo[2.2.1]heptan-2-ium dihydrate","","- C19 H24 F N3 O5 -","- C19 H24 F N3 O5 -","- C76 H96 F4 N12 O20 -","4","1","VP3026","Felczak, Aleksandra; Kalinowska-Lis, Urszula; Kusz, Joachim; Checińska, Lilianna","Zwitterionic <i>versus</i> neutral molecules of fluoroquinolones: crystal structure of danofloxacin dihydrate","Acta Crystallographica Section C","2022","78","12","","","10.1107/S2053229622010300","","","1.54184","CuKα","","0.0509","0.0464","","","0.1251","0.1308","","","","","","1.097","","","","has coordinates,has Fobs","279170","2022-11-10","02:46:38",""
"2022724","12.2833","0.0002","13.1643","0.0002","14.2478","0.0002","90","","90","","90","","2303.88","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,2-(Ethene-1,2-diyl)bis(diphenylphoshpine sulfide/selenide)","","- C26 H22 P2 S1.13 Se0.87 -","- C26 H22 P2 S1.127 Se0.873 -","- C104 H88 P8 S4.508 Se3.492 -","4","1","DJ2064","Parkin, Sean; Cunningham, Jeremy; Rawls, Brian; Bender, John E.; Staples, Richard J.; Biros, Shannon M.","A mixed phosphine sulfide/selenide structure as an instructional example for how to evaluate the quality of a model.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","246","253","10.1107/S2056989023002700","","","1.54178","CuKα","","0.0211","0.0209","","","0.0533","0.0534","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","283585","2023-05-06","10:46:16",""
"2022727","5.2966","0.0003","15.8698","0.001","29.5216","0.0016","90","","90","","90","","2481.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(aqua-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)–(aqua-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","","- C24 H32 Cu2 N4 O9 -","- C24 H32 Cu2 N2 O9 -","- C96 H128 Cu8 N8 O36 -","4","1","EX2068","Akiyama, Yukihito; Suzuki, Soma; Suda, Shintaro; Takiguchi, Yuji; Nakane, Daisuke; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of mono/bis-(aqua-κ<i>O</i>)[<i>N</i>-(2-oxido-benzyl-idene)valinato-κ<sup>3</sup> <i>O</i>,<i>N</i>,<i>O</i>']copper(II): dimeric Schiff base copper(II) complexes having different numbers of coordinated water mol-ecules.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","361","366","10.1107/S2056989023002487","","","0.71073","MoKα","","0.0254","0.0235","","","0.0519","0.0525","","","","","","1.038","","","","has coordinates,has Fobs","283589","2023-05-06","10:47:25",""
"2022746","6.1659","0.0005","13.1299","0.0012","27.698","0.002","90","","90","","90","","2242.4","0.3","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Amitriptynolium thiophene-2-carboxylate monohydrate","(3-{2-Hydroxytricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}propyl)dimethylazanium thiophene-2-carboxylate monohydrate","","- C25 H31 N O4 S -","- C25 H31 N O4 S -","- C100 H124 N4 O16 S4 -","4","1","HB8061","Vinaya, ?; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Lakshmana, Beliyaiah; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean","Syntheses, crystal structures and Hirshfeld surface analyses of four mol-ecular salts of amitriptynol.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","451","457","10.1107/S2056989023003225","","","0.71073","MoKα","","0.0331","0.0284","","","0.0594","0.0616","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","284381","2023-06-06","05:33:50",""
"2022752","7.11296","0.00005","15.4597","0.001","16.0358","0.001","90","","90","","90","","1763.36","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5a<i>S</i>,8a<i>R</i>)-3,5a-Dimethyl-8-methylidene-2-oxododecahydrooxireno[2',3':6,7]naphtho[1,2-<i>b</i>]furan-6-yl (<i>Z</i>)-2-methylbut-2-enoate","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","WM5679","Karimli, Elvin G.; Khrustalev, Victor N.; Kurasova, Margarita N.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G","Crystal structure and Hirshfeld surface analysis of (5a<i>S</i>,8a<i>R</i>)-3,5a-dimethyl-8-methyl-idene-2-oxododeca-hydro-oxireno[2',3':6,7]naphtho-[1,2-<i>b</i>]furan-6-yl (<i>Z</i>)-2-methyl-but-2-enoate extracted from <i>Ferula persica</i>.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 5","474","477","10.1107/S205698902300333X","","","1.54184","CuKα","","0.0315","0.0313","","","0.0819","0.0821","","","","","","1.045","","","","has coordinates,has Fobs","284383","2023-06-06","05:34:11",""
"2022798","5.5005","0.0002","12.1363","0.0005","26.147","0.001","90","","90","","90","","1745.46","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>H</i>-Imidazole-κ<i>N</i>^3^)[<i>N</i>-(2-oxidobenzylidene)tyrosinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","","- C19 H17 Cu N3 O4 -","- C19 H17 Cu N3 O4 -","- C76 H68 Cu4 N12 O16 -","4","1","EX2071","Suzuki, Soma; Akiyama, Yukihito; Nakane, Daisuke; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN 3)[N-(2-oxidobenzylidene)tyrosinato-κ3 O,N,O′]copper(II)","Acta Crystallographica Section E Crystallographic Communications","2023","79","7","","","10.1107/S2056989023004735","","","0.71073","MoKα","","0.0255","0.025","","","0.0613","0.0617","","","","","","1.056","","","","has coordinates,has Fobs","284696","2023-06-29","15:53:07",""
"2022821","5.84787","0.00005","12.18109","0.00009","16.24568","0.00015","90","","90","","90","","1157.24","0.017","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(2,4-Dimethylfuran-3-yl)-3-phenylprop-2-en-1-one","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","VM2287","Khalilov, Ali N.; Khrustalev, Victor N.; Samigullina, Aida I.; Akkurt, Mehmet; Rzayev, Rovnag M.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of (E)-1-(2,4-dimethylfuran-3-yl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","","","10.1107/S2056989023006084","","","1.54184","CuKα","","0.0302","0.0299","","","0.0802","0.0806","","","","","","1.058","","","","has coordinates,has Fobs","285220","2023-07-15","01:48:24",""
"2022829","4.6034","0.0002","15.1542","0.0007","24.1754","0.0009","90","","90","","90","","1686.5","0.12","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>,<i>E</i>)-1,3-(3,4:9,10-Dibenzododeca-1,11-diene-5,7-diyne-1,12-\ diyl)benzene","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","PK2689","Watanabe, Hikaru; Sato, Takuma; Sumita, Michiki; Shiroyama, Mei; Sugawara, Daichi; Tokuyama, Tomoki; Okuda, Yasuhiro; Wakamatsu, Kan; Akashi, Haruo; Orita, Akihiro","Synthesis, optical properties and crystal structure of (E,E)-1,3-(3,4:9,10-dibenzododeca-1,11-diene-5,7-diyne-1,12-diyl)benzene","Acta Crystallographica Section E Crystallographic Communications","2023","79","8","757","761","10.1107/S2056989023006187","","x-ray","0.71073","MoKα","","0.0839","0.0578","","","0.1057","0.1149","","","","","","1.03","","","","has coordinates,has Fobs","285385","2023-07-29","02:03:19",""
"2022847","12.9774","0.0008","18.3039","0.0011","18.2877","0.0011","90","","90","","90","","4344","0.5","223.1","","223.1","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","{(<i>R</i>)-1-[1-(Dimethylamino)ethyl]napthyl-κ^2^<i>N</i>,<i>C</i>^2^}[(diphenylphosphanylmethyl)diphenylphosphine sulfide-κ^2^<i>P</i>,<i>S</i>]platinum(II) hexafluoridoantimonate dichloromethane monosolvate","","- C40 H40 Cl2 F6 N P2 Pt S Sb -","- C39 H38 F6 N P2 Pt S Sb -","- C156 H152 F24 N4 P8 Pt4 S4 Sb4 -","4","1","QF3061","Faller, Jack; Parr, Jonathan","Hemilability and structural considerations in complexes of platinum(II) comprising bis(diphenylphosphanyl)methane monoxide, monosulfide, and monoselenide","Acta Crystallographica Section C Structural Chemistry","2023","79","9","","","10.1107/S2053229623007325","","","0.71075","MoKα","","0.0779","0.0544","","","0.0974","0.105","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","285905","2023-08-30","01:48:27",""
"2022850","3.942","","11.5915","0.0002","28.0387","0.0004","90","","90","","90","","1281.19","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-1-(4-Bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one","","- C16 H13 Br O -","- C16 H13 Br O -","- C64 H52 Br4 O4 -","4","1","TX2073","Akkurt, Mehmet; Naghiyev, Farid N.; Khrustalev, Victor N.; Asadov, Khammed A.; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","847","851","10.1107/S2056989023007387","","","1.54184","CuKα","","0.0219","0.0215","","","0.0522","0.0524","","","","","","1.143","","","","has coordinates,has Fobs","285925","2023-08-31","02:02:19",""
"2022851","9.759","0.0001","11.7951","0.0002","16.7553","0.0002","90","","90","","90","","1928.68","0.04","183.15","","183.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2'-Deoxyguanosine dimethyl sulfoxide disolvate","","- C14 H25 N5 O6 S2 -","- C14 H25 N5 O6 S2 -","- C56 H100 N20 O24 S8 -","4","1","ZV2028","Spingler, Bernhard","Crystal structure of the nucleoside 2′-deoxyguanosine dimethyl sulfoxide disolvate","Acta Crystallographica Section E Crystallographic Communications","2023","79","9","852","855","10.1107/S2056989023007405","","","0.71073","MoKα","","0.0355","0.0304","","","0.0717","0.0729","","","","","","1.009","","","","has coordinates,has Fobs","285926","2023-08-31","02:02:46",""
"2022997","7.9846","0.0006","9.1982","0.0006","19.3636","0.0016","90","","90","","90","","1422.14","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4a<i>R</i>,8a<i>R</i>)-3-Phenyl-4a,5,6,7,8,8a-hexahydrobenzo[4,5]imidazo[2,1-<i>b</i>]thiazol-9-ium bromide","","- C15 H17 Br N2 S -","- C15 H17 Br N2 S -","- C60 H68 Br4 N8 S4 -","4","1","ZO3043","Savin, J. Alejandro; Ávila-Ortíz, C. Gabriela; Leyva-Ramírez, Marco Antonio; Juaristi, Eusebio","X-ray crystallographic structure of a novel enantiopure chiral isothiourea with potential applications in enantioselective synthesis","Acta Crystallographica Section C Structural Chemistry","2024","80","1","15","20","10.1107/S2053229623010781","","x-ray","0.71073","MoKα","","0.0407","0.0313","","","0.0735","0.0775","","","","","","1.097","","","","has coordinates,has Fobs","288698","2024-01-05","02:47:30",""
"2023005","7.6106","0.0002","7.8024","0.0002","25.4699","0.0005","90","","90","","90","","1512.43","0.06","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dibromidobis(2-methylpyridine <i>N</i>-oxide-κ<i>O</i>)cobalt(II)","","- C12 H14 Br2 Co N2 O2 -","- C12 H14 Br2 Co N2 O2 -","- C48 H56 Br8 Co4 N8 O8 -","4","1","YZ2048","Näther, Christian; Jess, Inke","Synthesis, crystal structure and thermal properties of di-bromido-bis-(2-methyl-pyridine <i>N</i>-oxide-κ<i>O</i>)cobalt(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","152","156","10.1107/S2056989024000252","","x-ray","1.54184","CuKα","","0.0363","0.0358","","","0.0929","0.0933","","","","","","1.059","","","","has coordinates,has Fobs","290328","2024-03-05","20:42:33",""
"2023010","6.0356","0.0005","7.6501","0.0006","15.7851","0.0014","90","","90","","90","","728.84","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>^1^,<i>N</i>^2^-Dimethylethanedihydrazide","","- C4 H10 N4 O2 -","- C4 H10 N4 O2 -","- C16 H40 N16 O8 -","4","1","VM2294","Bibik, Yurii S.; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Raspertova, Ilona V.; Bargan, Alexandra; Lampeka, Rostyslav D.","Synthesis and crystal structure of <i>N</i><sup>1</sup>,<i>N</i><sup>2</sup>-di-methyl-ethane-dihydrazide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","148","151","10.1107/S2056989024000239","","x-ray","0.71073","MoKα","","0.068","0.0497","","","0.0846","0.0932","","","","","","1.038","","","","has coordinates,has Fobs","290339","2024-03-05","20:44:44",""
"2023011","10.3941","0.0007","11.154","0.0007","23.3489","0.0015","90","","90","","90","","2707","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene](isocyanato-κ<i>N</i>)gold(I)","","- C28 H36 Au N3 O -","- C28 H36 Au N3 O -","- C112 H144 Au4 N12 O4 -","4","1","ZV2031","Bakhoda, Abolghasem","Synthesis and crystal structure of [1,3-bis-(2,6-diiso-propyl-phen-yl)imidazol-2-yl-idene](iso-cyanato-κ<i>N</i>)gold(I).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","166","168","10.1107/S205698902400046X","","","0.71073","MoKα","","0.0131","0.0127","","","0.0244","0.0246","","","","","","1.111","","","","has coordinates,has Fobs","290329","2024-03-05","20:42:42",""
"2023040","12.571","0.0002","12.68898","0.00019","15.358","0.0002","90","","90","","90","","2449.8","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bis[1-oxopyridin-2-olato(1-)]bis(2,4,6-trimethylphenyl)silicon(IV)","Dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV)","","- C28 H30 N2 O4 Si -","- C28 H30 N2 O4 Si -","- C112 H120 N8 O16 Si4 -","4","1","EE2004","Kraft, Bradley M.; Brennessel, William W.; Andrews, Jordan W.; Viggiani, Michael T.; Kittrell, Nathan F.; Heckman, Matthew T.","Synthesis and crystal structures of bis-[1-oxopyridin-2-olato(1-)]bis-(penta-fluoro-phen-yl)silicon(IV)-tetra-hydro-furan-pentane (2/1/1), bis-[1-oxopyridin-2-olato(1-)]bis-(<i>p</i>-tol-yl)silicon(IV), and dimesitylbis[1-oxopyridin-2-olato(1-)]silicon(IV).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","318","324","10.1107/S2056989024001543","","x-ray","1.54184","CuKα","","0.0342","0.0316","","","0.0775","0.0787","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","291115","2024-04-05","23:42:13",""
"2023042","6.6117","0.0002","10.1482","0.0002","28.1444","0.0009","90","","90","","90","","1888.4","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(<i>S</i>)-8-(Iodomethyl)-1-tosyl-1,3,4,6,7,8-hexahydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium iodide","(<i>S</i>)-8-(Iodomethyl)-1-4-(methylbenzenesulfonyl)-1,3,4,6,7,8-hexahydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium iodide","","- C15 H21 I2 N3 O2 S -","- C15 H21 I2 N3 O2 S -","- C60 H84 I8 N12 O8 S4 -","4","1","DJ2073","Alaboosh, Jamal M. H.; Hill, Steven P.; Kariuki, Benson M.; Redman, James E.","Crystal structures of sulfonamide protected bicyclic guanidines: (<i>S</i>)-8-{[(<i>tert</i>-butyl-dimethyl-sil-yl)-oxy]meth-yl}-1-[(2,2,4,6,7-penta-methyl-2,3-di-hydro-benzo-furan-5-yl)sulfon-yl]-1,3,4,6,7,8-hexa-hydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium tri-fluoro-methane-sulfonate and (<i>S</i>)-8-(iodo-meth-yl)-1-tosyl-1,3,4,6,7,8-hexa-hydro-2<i>H</i>-pyrimido[1,2-<i>a</i>]pyrimidin-1-ium iodide.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 3","305","309","10.1107/S2056989024001129","","","0.71073","MoKα","","0.0359","0.0308","","","0.0693","0.0715","","","","","","1.042","","","","has coordinates,has Fobs","291124","2024-04-05","23:43:56",""
"2023066","8.444","0.0003","14.3013","0.0005","15.4233","0.0006","90","","90","","90","","1862.52","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[2-(Morpholin-4-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C84 H92 N12 O12 -","4","1","WM5711","Lamssane, Houda; Haoudi, Amal; Kartah, Badr Eddine; Mazzah, Ahmed; Mague, Joel T.; Hökelek, Tuncer; Kandri Rodi, Youssef; Sebbar, Nada Kheira","Crystal structure, Hirshfeld surface analysis, calculations of crystal voids, inter-action energy and energy frameworks as well as density functional theory (DFT) calculations of 3-[2-(morpholin-4-yl)eth-yl]-5,5-di-phenyl-imidazolidine-2,4-dione.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 4","423","429","10.1107/S2056989024002445","","","0.71073","MoKα","","0.0423","0.0367","","","0.0919","0.0969","","","","","","1.068","","","","has coordinates","291716","2024-05-06","04:19:31",""
"2100006","11.7537","0.0005","10.1013","0.0005","5.5787","0.0002","90","","90","","90","","662.35","0.05","543","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-piperinic acid","piperidine-4-carboxylic acid","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","AV5021","Asiloé J. Mora; Edward E. Ávila; Gerzon E. Delgado; Andrew N. Fitch; Michella Brunelli","Temperature effects on the hydrogen-bond patterns in 4-piperidinecarboxylic acid","Acta Crystallographica Section B","2005","61","1","96","102","10.1107/S0108768104031738","","","0.334971","synchrotron","","","","","","","","","","2.29","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100048","16.047","","19.51","","4.8643","","90","","90","","90","","1522.9","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2100140","4.1092","0.0001","6.7843","0.0001","48.6775","0.001","90","","90","","90","","1357.03","0.05","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(4-Iodophenyl)-4-nitrophthalimide","","- C14 H7 I N2 O4 -","- C14 H7 I N2 O4 -","- C56 H28 I4 N8 O16 -","4","1","BM5022","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions","Acta Crystallographica Section B","2005","61","2","227","237","10.1107/S0108768105004234","","","0.71073","MoKα","","0.0402","0.032","","","0.0984","0.1187","","","","","","1.213","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100144","6.807","0.0001","13.0955","0.0002","14.8369","0.0003","90","","90","","90","","1322.58","0.04","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(3-Iodophenyl)-3-nitrophthalimide","","- C14 H7 I N2 O4 -","- C14 H7 I N2 O4 -","- C56 H28 I4 N8 O16 -","4","1","BM5022","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric <i>N</i>-(iodophenyl)nitrophthalimides: interplay of C—H···O hydrogen bonds, iodo···nitro and iodo···carbonyl interactions, and aromatic π···π stacking interactions","Acta Crystallographica Section B","2005","61","2","227","237","10.1107/S0108768105004234","","","0.71073","MoKα","","0.0265","0.0247","","","0.0535","0.0543","","","","","","1.064","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100145","20.099","0.0004","19.844","0.0003","13.424","0.0002","90","","90","","90","","5354.09","0.16","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11.33 H12.95 O48 Si24 -","- C11.333 H12.952 O48 Si24 -","- C45.332 H51.808 O192 Si96 -","4","1","BS5009","Nishi, Koji; Hidaka, Akira; Yokomori, Yoshinobu","Structure of toluene6.4-ZSM-5 and the toluene disproportionation reaction on ZSM-5","Acta Crystallographica Section B","2005","61","2","160","163","10.1107/S0108768105003186","","","1.54178","CuKα","","0.0665","0.0582","","","0.1635","0.1718","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2100148","3.9846","0.0005","13.9272","0.0019","20.699","0.003","90","","90","","90","","1148.7","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 Cl O -","- C6 H5 Cl O -","- C48 H40 Cl8 O8 -","8","2","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.0949","0.0685","","0.1425","0.1314","0.1425","","","","","","0.9424","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100149","4.0949","0.0004","13.875","0.003","20.716","0.003","90","","90","","90","","1177","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 Cl O -","- C6 H5 Cl O -","- C48 H40 Cl8 O8 -","8","2","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.1462","0.0978","","0.2444","0.2171","0.2444","","","","","","0.9863","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100154","5.7168","0.0007","9.9997","0.0019","17.868","0.002","90","","90","","90","","1021.4","0.3","403","","403","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 F O -","- C6 H5 F O -","- C48 H40 F8 O8 -","8","2","BS5012","Oswald, Iain D. H.; Allan, David R.; Motherwell, W. D. Samuel; Parsons, Simon","Structures of the monofluoro- and monochlorophenols at low temperature and high pressure","Acta Crystallographica Section B","2005","61","1","69","79","10.1107/S0108768104030617","","","0.71073","MoKα","","0.121","0.0834","","0.2506","0.2201","0.2506","","","","","","0.9365","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100198","11.309","0.001","11.785","0.001","12.002","0.001","90","","90","","90","","1599.65","","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Strychnine","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Messerschmidt, Marc; Scheins, Stephan; Luger, Peter","Charge density of (–)-strychnine from 100 to 15 K, a comparison of four data sets","Acta Crystallographica, Section B: Structural Science","2005","61","1","115","121","10.1107/s0108768104032781","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100199","11.326","0.001","11.765","0.001","11.994","0.001","90","","90","","90","","1598.2","0.2","25","","25","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Strychnine","Strychnine","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","LC5019","Messerschmidt, Marc; Scheins, Stephan; Luger, Peter","Charge density of (‒)-strychnine from 100 to 15 K, a comparison of four data sets","Acta Crystallographica, Section B: Structural Science","2005","61","1","115","121","10.1107/s0108768104032781","","","0.71073","MoKα","","0.021","0.017","","","","0.0182","","","","","","0.9299","","","","has coordinates","249495","2020-10-21","18:00:00",""
"2100200","11.309","0.001","11.785","0.001","12.002","0.001","90","","90","","90","","1599.65","","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Strychnine","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Messerschmidt, Marc; Scheins, Stephan; Luger, Peter","Charge density of (–)-strychnine from 100 to 15 K, a comparison of four data sets","Acta Crystallographica, Section B: Structural Science","2005","61","1","115","121","10.1107/s0108768104032781","","","","","","","","","","","","","","","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100201","11.326","0.001","11.765","0.001","11.994","0.001","90","","90","","90","","1598.2","0.2","25","","15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Strychnine","Strychnine","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","LC5019","Messerschmidt, Marc; Scheins, Stephan; Luger, Peter","Charge density of (‒)-strychnine from 100 to 15 K, a comparison of four data sets","Acta Crystallographica, Section B: Structural Science","2005","61","1","115","121","10.1107/s0108768104032781","","","0.53","MoKα","","0.0228","0.02","","","","0.0209","","","","","","1.213","","","","has coordinates","249495","2020-10-21","18:00:00",""
"2100203","7.431","0.006","13.769","0.009","14.944","0.013","90","","90","","90","","1529","2","25","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","morphine hydrate","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","LC5024","Scheins, Stephan; Messerschmidt, Marc; Luger, Peter","Submolecular partitioning of morphine hydrate based on its experimental charge density at 25K","Acta Crystallographica Section B","2005","61","4","443","448","10.1107/S010876810501637X","","","0.7107","MoKa","","0.0337","0.0225","","","","0.0201","","","","","","0.65","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100212","8.9879","0.0001","9.4028","0.0001","26.4369","0.0004","90","","90","","90","","2234.22","0.05","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C96 H152 O20 -","4","1","SN5016","Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga","Hydrogen-bonded aggregations of oxo-cholic acids","Acta Crystallographica Section B","2005","61","3","346","356","10.1107/S0108768105011304","","","0.7107","MoKα","","0.0569","0.039","","","0.0963","0.1096","","","","","","1.04","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100213","6.3122","0.0001","10.8884","0.0002","32.0624","0.0007","90","","90","","90","","2203.64","0.07","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C96 H152 O20 -","4","1","SN5016","Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga","Hydrogen-bonded aggregations of oxo-cholic acids","Acta Crystallographica Section B","2005","61","3","346","356","10.1107/S0108768105011304","","","0.7107","MoKα","","0.0596","0.0442","","","0.1108","0.1202","","","","","","1.043","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100215","8.4953","0.0001","12.706","0.0002","20.8011","0.0003","90","","90","","90","","2245.3","0.05","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O5 -","- C24 H36 O5 -","- C96 H144 O20 -","4","1","SN5016","Bertolasi, Valerio; Ferretti, Valeria; Pretto, Loretta; Fantin, Giancarlo; Fogagnolo, Marco; Bortolini, Olga","Hydrogen-bonded aggregations of oxo-cholic acids","Acta Crystallographica Section B","2005","61","3","346","356","10.1107/S0108768105011304","","","0.71073","MoKα","","0.0579","0.0495","","","0.1372","0.1462","","","","","","1.056","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100236","23.97","0.02","10.609","0.008","5.457","0.003","90","","90","","90","","1387.7","1.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Oxo-1-phenyl-1,2,3,6-tetrahydro[1,4]diazepino[6,5-b]indole- 4-oxide","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","1","WS5016","Ryabova, Svetlana Yu.; Rastorgueva, Nina A.; Sonneveld, Eduard J.; Peschar, Rene; Schenk, Henk; Tafeenko, Viktor A.; Aslanov, Leonid A.; Chernyshev, Vladimir V.","Structural characterization of [1,4]diazepino[6,5-<i>b</i>]indoles by powder diffraction","Acta Crystallographica Section B","2005","61","2","192","199","10.1107/S0108768105006075","","","1.54059","CuKα~1~","","","","","","","","","","2.946","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100237","8.5213","0.0013","9.172","0.002","5.5847","0.0008","90","","90","","90","","436.49","0.13","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","WS5017","Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa","Acta Crystallographica Section B","2005","61","1","58","68","10.1107/S0108768104031787","","","0.71073","MoKα","","0.1098","0.0827","","0.2137","0.1949","0.2137","","","","","","1.0678","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100238","8.4365","0.001","8.9506","0.0019","5.5512","0.0006","90","","90","","90","","419.18","0.11","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","WS5017","Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa","Acta Crystallographica Section B","2005","61","1","58","68","10.1107/S0108768104031787","","","0.71073","MoKα","","0.1063","0.0733","","0.1641","0.1494","0.1641","","","","","","1.1438","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100239","8.3702","0.001","8.7699","0.0019","5.5103","0.0006","90","","90","","90","","404.49","0.11","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","WS5017","Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa","Acta Crystallographica Section B","2005","61","1","58","68","10.1107/S0108768104031787","","","0.71073","MoKα","","0.0905","0.0649","","0.1536","0.1395","0.1536","","","","","","1.0679","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100240","8.3266","0.0013","8.665","0.003","5.4851","0.0008","90","","90","","90","","395.75","0.16","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","WS5017","Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa","Acta Crystallographica Section B","2005","61","1","58","68","10.1107/S0108768104031787","","","0.71073","MoKα","","0.0812","0.0664","","0.1648","0.1558","0.1648","","","","","","1.0635","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2100241","8.298","0.0016","8.6","0.003","5.4663","0.001","90","","90","","90","","390.09","0.17","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","WS5017","Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa","Acta Crystallographica Section B","2005","61","1","58","68","10.1107/S0108768104031787","","","0.71073","MoKα","","0.0791","0.0603","","0.1219","0.1128","0.1219","","","","","","1.1552","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100242","6.9083","0.001","9.644","0.003","5.6166","0.0008","90","","90","","90","","374.2","0.14","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","WS5017","Moggach, Stephen A.; Allan, David R.; Morrison, Carole A.; Parsons, Simon; Sawyer, Lindsay","Effect of pressure on the crystal structure of <small>L</small>-serine-I and the crystal structure of <small>L</small>-serine-II at 5.4GPa","Acta Crystallographica Section B","2005","61","1","58","68","10.1107/S0108768104031787","","","0.71073","MoKα","","0.0672","0.0482","","0.1022","0.0952","0.1022","","","","","","1.2108","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100351","11.757","0.0011","29.752","0.002","6.5547","0.0005","90","","90","","90","","2292.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.0782","0.0641","","","0.1304","0.1381","","","","","","1.082","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100352","11.7903","0.0011","29.728","0.002","6.5519","0.0005","90","","90","","90","","2296.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.0857","0.0705","","","0.1413","0.15","","","","","","1.047","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100353","11.847","0.0013","29.649","0.003","6.5443","0.0006","90","","90","","90","","2298.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.1038","0.0833","","","0.1922","0.2082","","","","","","1.082","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100354","11.8971","0.0015","29.579","0.003","6.535","0.0007","90","","90","","90","","2299.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.109","0.0848","","","0.197","0.2179","","","","","","1.063","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100355","11.9628","0.0018","29.503","0.004","6.5269","0.0008","90","","90","","90","","2303.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.1213","0.0976","","","0.2353","0.2562","","","","","","1.084","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100356","12.053","0.002","29.385","0.006","6.5093","0.001","90","","90","","90","","2305.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.1466","0.1193","","","0.2922","0.3185","","","","","","1.14","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100357","12.14","0.003","29.258","0.006","6.4918","0.0011","90","","90","","90","","2305.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.1387","0.1126","","","0.2721","0.2971","","","","","","1.138","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100358","12.364","0.003","28.956","0.006","6.4582","0.0011","90","","90","","90","","2312.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.1107","0.088","","","0.2096","0.2295","","","","","","1.107","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100359","12.4079","0.0016","28.861","0.003","6.4428","0.0007","90","","90","","90","","2307.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.0993","0.0815","","","0.1903","0.2054","","","","","","1.088","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100360","12.4288","0.0013","28.809","0.003","6.4326","0.0006","90","","90","","90","","2303.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.0978","0.0779","","","0.1807","0.198","","","","","","1.055","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100361","12.4407","0.0012","28.779","0.002","6.4272","0.0006","90","","90","","90","","2301.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","Turowska-Tyrk, Ilona; Trzop, Elżbieta; Scheffer, John R.; Chen, Shuang","Monitoring structural transformations in crystals. 8. Monitoring molecules and a reaction center during a solid-state Yang photocyclization","Acta Crystallographica Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.0934","0.077","","","0.1831","0.1979","","","","","","1.057","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2100362","12.4509","0.0011","28.753","0.002","6.4239","0.0005","90","","90","","90","","2299.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","","","Acta Crystallographica, Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.0911","0.0747","","","0.1819","0.1961","","","","","","1.069","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"2100363","12.4537","0.001","28.749","0.002","6.424","0.0005","90","","90","","90","","2300","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O3 -","- C27 H33 N O3 -","- C108 H132 N4 O12 -","4","1","BK5019","","","Acta Crystallographica, Section B","2006","62","1","128","134","10.1107/S0108768105034014","","","0.71073","MoKα","","0.097","0.0793","","","0.1856","0.2008","","","","","","1.072","","","","has coordinates,has disorder","201972","2020-10-21","18:00:00",""
"2100378","8.851","0.002","10.014","0.002","15.895","0.003","90","","90","","90","","1408.8","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(4-Methoxy-benzyliden)-2-oxo-2,3-dihydro-1H-imidazo[1,2-a] pyridinium bromide","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C60 H52 Br4 N8 O8 -","4","1","GP5003","Plutecka, A.; Hoffmann, M.; Rychlewska, U.; Kucybała, Z.; Pączkowski, J.; Pyszka, I.","Relationship between structure and photoinitiating abilities of selected bromide salts of 2-oxo-2,3-dihydro-1<i>H</i>-imidazo[1,2-<i>a</i>]pyridine (IMP): influence of the solvent and the substitution in benzaldehyde on the course of its reaction with IMP","Acta Crystallographica Section B","2006","62","1","135","142","10.1107/S0108768105033884","","","0.71073","MoKα","","0.0584","0.0474","","","0.1095","0.117","","","","","","0.982","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100409","10.824","0.009","10.479","0.003","8.967","0.003","90","0.04","90","0.04","90","0.04","1017.1","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cerium oxonitridosilicate chloride","","- Ce4 Cl0.93 N6.93 O3.14 Si4 -","- Ce4 Cl0.93 N6.93 O3.14 Si4 -","- Ce16 Cl3.72 N27.72 O12.56 Si16 -","4","1","BK5022","Friedrich, Alexandra; Haussuehl, Eiken; Morgenroth, Wolfgang; Lieb, Alexandra; Winkler, Björn; Knorr, Karsten; Schnick, Wolfgang","Crystal structure of the high-pressure phase of the oxonitridosilicate chloride Ce~4~[Si~4~O~3+<i>x~</i>N~7{-~<i>x</i>}]Cl~1{-~<i>x</i>}O~<i>x~</i>, <i>x</i> ≃0.2","Acta Crystallographica Section B","2006","62","2","205","211","10.1107/S0108768106003302","","","0.45","synchrotron","","0.0747","0.0537","","","0.1133","0.1216","","","","","","1.056","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100419","8.1109","0.001","12.1621","0.0015","5.421","0.0007","90","","90","","90","","534.76","0.12","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","BS5023","Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV","Acta Crystallographica Section B","2006","62","2","296","309","10.1107/S0108768105038802","","","0.71073","MoKα","","0.0362","0.0343","","0.0884","0.0879","0.0884","","","","","","1.0268","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100420","7.4146","0.0019","12","0.003","5.3318","0.0009","90","","90","","90","","474.4","0.19","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 S -","- C3 H6 N O2 S -","- C12 H24 N4 O8 S4 -","4","1","BS5023","Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV","Acta Crystallographica Section B","2006","62","2","296","309","10.1107/S0108768105038802","","","0.71073","MoKα","","0.0893","0.0569","","0.1227","0.1108","0.1227","","","","","","1.0193","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100421","8.0558","0.001","10.4883","0.0019","5.3471","0.0005","90","","90","","90","","451.79","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","BS5023","Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV","Acta Crystallographica Section B","2006","62","2","296","309","10.1107/S0108768105038802","","","0.71073","MoKα","","0.0737","0.057","","0.1174","0.1084","0.1174","","","","","","1.0688","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100422","7.9981","0.0008","10.2976","0.0015","5.284","0.0003","90","","90","","90","","435.2","0.08","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","BS5023","Moggach, Stephen A.; Allan, David R.; Clark, Stewart J.; Gutmann, Matthias J.; Parsons, Simon; Pulham, Colin R.; Sawyer, Lindsay","High-pressure polymorphism in <small>L</small>-cysteine: the crystal structures of <small>L</small>-cysteine-III and <small>L</small>-cysteine-IV","Acta Crystallographica Section B","2006","62","2","296","309","10.1107/S0108768105038802","","","0.71073","MoKα","","0.0455","0.0402","","0.098","0.095","0.098","","","","","","1.0865","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100461","5.829","0.0001","13.544","0.0004","21.7","0.0007","90","","90","","90","","1713.17","0.08","150","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R, 2S)-(-)-ephedrine adipate","","- C16 H25 N O5 -","- C16 H25 N O5 -","- C64 H100 N4 O20 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0577","0.0405","","","0.0861","0.0943","","","","","","1.034","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100464","5.6851","0.0004","7.7047","0.0005","22.4819","0.0017","90","","90","","90","","984.75","0.12","150","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R, 2S)-(-)-ephedrine","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.1854","0.056","","","0.0878","0.1151","","","","","","0.963","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100465","5.4877","0.0007","11.9057","0.0017","22.639","0.004","90","","90","","90","","1479.1","0.4","150","","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R, 2S)-(-)-ephedrine esylate","","- C12 H21 N O4 S -","- C12 H21 N O4 S -","- C48 H84 N4 O16 S4 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.169","0.1023","","","0.2296","0.2643","","","","","","1.078","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100470","5.637","0.0002","13.495","0.0005","20.525","0.0005","90","","90","","90","","1561.36","0.09","150","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R, 2S)-(-)-ephedrine maleate monohydrate","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C56 H84 N4 O24 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0462","0.0361","","","0.0859","0.0915","","","","","","1.052","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100476","6.622","0.0002","7.462","0.0003","33.216","0.0015","90","","90","","90","","1641.31","0.11","150","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R, 2S)-(-)-ephedrine L-(+)-tartrate monohydrate","","- C14 H23 N O8 -","- C14 H23 N O8 -","- C56 H92 N4 O32 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.0676","0.0399","","","0.0765","0.0874","","","","","","1.032","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100478","5.7491","0.0002","7.1665","0.0002","42.0343","0.0009","90","","90","","90","","1731.85","0.09","150","","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R, 2S)-(-)-ephedrine P-tosylate","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","BK5025","Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts","17 salts of ephedrine: crystal structures and packing analysis","Acta Crystallographica Section B","2006","62","3","498","505","10.1107/S0108768106012018","","","0.71073","MoKα","","0.06","0.0431","","","0.0914","0.0993","","","","","","1.04","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100519","8.94684","0.00002","7.66956","0.00002","7.27555","0.00002","90","","90","","90","","499.236","0.002","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-(-)-oxo-2-azetidinonecarboxilyc acid","","- C4 H5 N O3 -","- C4 H5 N O3 -","- C16 H20 N4 O12 -","4","1","AV5050","Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero","Structures of (<i>S</i>)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data","Acta Crystallographica Section B","2006","62","4","606","611","10.1107/S0108768106013887","","","0.84933","synchrotron","","","","","","","","","","2.81","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2100536","4.881","0.0002","13.3448","0.0002","18.3974","0.0003","90","","90","","90","","1198.33","0.06","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N-(4-bromophenyl)-2-chloronicotinamide","","- C12 H8 Br Cl N2 O -","- C12 H8 Br Cl N2 O -","- C48 H32 Br4 Cl4 N8 O4 -","4","1","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.71073","MoKα","","0.0255","0.0233","","","0.0585","0.0595","","","","","","1.071","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100538","4.8536","0.0002","11.8437","0.0004","21.0612","0.0007","90","","90","","90","","1210.69","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(4-Methoxyphenyl)-2-chloronicotinamide","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C52 H44 Cl4 N8 O8 -","4","1","BM5033","Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L.","Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions","Acta Crystallographica Section B","2006","62","4","651","665","10.1107/S0108768106015497","","","0.71073","MoKα","","0.0605","0.0421","","","0.0947","0.104","","","","","","1.042","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100592","8.3096","0.0003","8.595","0.0003","5.4647","0.0003","90","","90","","90","","390.29","0.03","298","","298","","4500000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","BS5027","S. A. Moggach; W. G. Marshall; S. Parsons","High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa","Acta Crystallographica, Section B","2006","62","4","815","825","10.1107/S010876810601799X","","neutron","","Neutron","","","","","","","","","","0.385","","","","","","","has coordinates","277834","2022-09-14","16:39:43",""
"2100593","6.87","0.0003","9.6396","0.0005","5.6058","0.0003","90","","90","","90","","371.24","0.03","298","","298","","5200000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","BS5027","S. A. Moggach; W. G. Marshall; S. Parsons","High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa","Acta Crystallographica, Section B","2006","62","4","815","825","10.1107/S010876810601799X","","neutron","","Neutron","","","","","","","","","","0.377","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100594","6.6874","0.0003","9.5815","0.0006","5.5619","0.0003","90","","90","","90","","356.38","0.04","298","","298","","7300000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","BS5027","S. A. Moggach; W. G. Marshall; S. Parsons","High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa","Acta Crystallographica, Section B","2006","62","4","815","825","10.1107/S010876810601799X","","neutron","","Neutron","","","","","","","","","","0.386","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100595","6.5477","0.0004","9.5405","0.0006","5.6092","0.0004","90","","90","","90","","350.4","0.04","298","","298","","8100000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","BS5027","S. A. Moggach; W. G. Marshall; S. Parsons","High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa","Acta Crystallographica, Section B","2006","62","4","815","825","10.1107/S010876810601799X","","neutron","","Neutron","","","","","","","","","","0.381","","","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100601","6.6614","0.0001","13.3104","0.0002","7.4914","0.0001","90","","90","","90","","664.232","0.017","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Levoglucosan","1,6-anhydro-beta-D-glucopyranose","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","BS5034","L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós","On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study","Acta Crystallographica, Section B","2006","62","2","912","918","10.1107/S010876810602489X","","","0.71073","MoKα","","0.0389","0.032","","","0.0779","0.0832","","","","","","1.022","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100602","6.656","0.0001","13.314","0.0002","7.468","0.0001","90","","90","","90","","661.799","0.017","100","1","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Levoglucosan","1,6-anhydro-beta-D-glucopyranose","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","BS5034","L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós","On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study","Acta Crystallographica, Section B","2006","62","2","912","918","10.1107/S010876810602489X","","neutron","","neutron","","0.0699","0.0698","","","0.181","0.1812","","","","","","1.208","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2100618","11.359","0.003","18.383","0.004","23.325","0.007","90","","90","","90","","4871","2","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H67 N9 O11 S -","- C45 H60 N9 O11 S -","- C180 H240 N36 O44 S4 -","4","1","GP5007","Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia","New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies","Acta Crystallographica, Section B","2006","62","4","889","896","10.1107/S0108768106018167","","","1.5418","CuKα","","0.0634","0.0524","","","0.1284","0.1382","","","","","","1.033","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100621","7.851","0.003","21.976","0.005","5.666","0.002","90","","90","","90","","977.6","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H31 N5 O15 P2 -","- C6 H31 N5 O15 P2 -","- C12 H62 N10 O30 P4 -","2","0.5","GP5011","Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz","Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate","Acta Crystallographica, Section B","2006","62","2","919","925","10.1107/S0108768106023573","","","0.71073","MoKα","","0.0498","0.0394","","","0.0986","0.1027","","","","","","1.016","","","","has coordinates,has disorder","277834","2022-09-14","16:39:44",""
"2100685","7.868","0.002","10.757","0.002","34.038","0.003","90","","90","","90","","2880.8","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-4-nitrobenzoyl-D-alaninate dihydrate","","- C31 H36 N4 O9 -","- C31 H36 N4 O9 -","- C124 H144 N16 O36 -","4","1","BS5030","A. Bialonska; Z. Ciunik","Hydrophobic `lock and key' recognition of <i>N</i>-4-nitrobenzoylamino acid by strychnine","Acta Crystallographica Section B","2006","62","6","1061","1070","10.1107/S0108768106025249","","","0.71073","MoKα","","0.1004","0.0639","","","0.1013","0.1164","","","","","","1.037","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100686","8.131","0.002","10.648","0.002","33.057","0.003","90","","90","","90","","2862","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-4-nitrobenzoyl-D-serinate dihydrate","","- C31 H36 N4 O10 -","- C31 H36 N4 O10 -","- C124 H144 N16 O40 -","4","1","BS5030","A. Bialonska; Z. Ciunik","Hydrophobic `lock and key' recognition of <i>N</i>-4-nitrobenzoylamino acid by strychnine","Acta Crystallographica Section B","2006","62","6","1061","1070","10.1107/S0108768106025249","","","0.71073","MoKα","","0.1309","0.0942","","","0.2479","0.2808","","","","","","1.06","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100687","7.483","0.002","11.5","0.002","34.436","0.003","90","","90","","90","","2963.4","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-4-nitrobenzoyl-L-serinate methanol solvate hydrate","","- C32 H38 N4 O10 -","- C32 H38 N4 O10 -","- C128 H152 N16 O40 -","4","1","BS5030","A. Bialonska; Z. Ciunik","Hydrophobic `lock and key' recognition of <i>N</i>-4-nitrobenzoylamino acid by strychnine","Acta Crystallographica Section B","2006","62","6","1061","1070","10.1107/S0108768106025249","","","0.71073","MoKα","","0.1033","0.0554","","","0.0733","0.0817","","","","","","0.989","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2100689","8.197","0.002","9.967","0.002","36.351","0.004","90","","90","","90","","2969.9","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium hydrogen N-4-nitrobenzoyl-D-aspartate 2.25-hydrate","","- C32 H36.5 N4 O11.25 -","- C32 H32 N4 O11.25 -","- C128 H128 N16 O45 -","4","1","BS5030","A. Bialonska; Z. Ciunik","Hydrophobic `lock and key' recognition of <i>N</i>-4-nitrobenzoylamino acid by strychnine","Acta Crystallographica Section B","2006","62","6","1061","1070","10.1107/S0108768106025249","","","0.71073","MoKα","","0.1631","0.1145","","","0.2827","0.3269","","","","","","1.085","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2100753","7.4013","0.0004","8.7563","0.0005","17.392","0.001","90","","90","","90","","1127.14","0.11","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C10 H15 N3 O4 -","- C10 H15 N3 O4 -","- C40 H60 N12 O16 -","4","1","GE0271","De Winter, H. L.; De Ranter, C. J.; Blaton, N. M.; Peeters, O. M.; Van Aerschot, A.; Herdewijn, P.","1-(2,3-Dideoxy-<i>erythro</i>-β-<small>D</small>-hexopyranosyl)cytosine: an example of the conformational and stacking properties of pyranosyl pyrimidine nucleosides. A crystallographic and computational approach","Acta Crystallographica Section B","1992","48","1","95","103","10.1107/S0108768191010546","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100763","8.933","0.002","11.71","0.003","18.934","0.004","90","","90","","90","","1980.6","0.8","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C20 H28 Cl N S -","- C20 H28 Cl N S -","- C80 H112 Cl4 N4 S4 -","4","1","CR0350","Karle, J. M.; Karle, I. L.; Gordon, R. K.; Chiang, P. K.","Relationship of three-dimensional structure of muscarinic antagonists to antimuscarinic activity: structure of thiodeacylaprophen hydrochloride","Acta Crystallographica Section B","1992","48","2","208","213","10.1107/S0108768191013149","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100781","5.072","0.001","10.307","0.003","24.856","0.004","90","","90","","90","","1299.4","0.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C56 H64 N8 O12 -","4","1","LI0111","Nigović, B.; Kojić-Prodić, B.; Puntarec, V.; Schagen, J. D.","Structures of three biologically active conjugates of ω-amino acids and plant growth hormone (auxin)","Acta Crystallographica Section B","1992","48","3","297","302","10.1107/S0108768191014155","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2100789","5.199","0.001","16.832","0.001","20.076","0.003","90","","90","","90","","1756.8","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C13 H28 N4 O8 -","- C13 H28 N4 O8 -","- C52 H112 N16 O32 -","4","1","AS0537","Ramaswamy, S.; Murthy, M. R. N.","Crystal and molecular structures of propanediamine complexed with <small>L</small>- and <small>DL</small>-glutamic acid: effect of chirality on propanediamine","Acta Crystallographica Section B","1992","48","4","488","492","10.1107/S010876819200065X","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100802","12.448","0.002","17.579","0.004","19.433","0.004","90","","90","","90","","4252.4","1.5","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H73 P2 Re Si2 -","- C42 H68 P2 Re Si2 -","- C168 H272 P8 Re4 Si8 -","4","1","HA0088","Howard, J. A. K.; Keller, P. A.; Vogt, T.; Taylor, A. L.; Dix, N. D.; Spencer, J. L.","Low-temperature neutron diffraction study of [ReH~5~(PPh^<i>i^</i>Pr~2~)~2~(SiHPh~2~)~2~] and low-temperature X-ray diffraction study of [ReH~5~(PCyp~3~)~2~(SiH~2~Ph)~2~]","Acta Crystallographica Section B","1992","48","4","438","444","10.1107/S0108768191014428","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2100839","7.3342","0.0008","7.3587","0.0004","24.613","0.006","90","","90","","90","","1328.4","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","CR0384","Brock, C. P.; Kwiatkowski, S.; Watt, D. S.; Sayed, A.","Two closely related structures: ({-})-(7a<i>S</i>)-2,3,7,7a-tetrahydro-7a-phenylthio-1<i>H</i>-indene-1,5(6<i>H</i>)-dione and its racemic compound","Acta Crystallographica Section B","1992","48","5","719","725","10.1107/S0108768192003574","","","1.5406","Cu","","","","","","","","","","","","","","","","","has coordinates","208158","2020-10-21","18:00:00",""
"2100850","22.645","0.005","9.19","0.01","12.568","0.002","90","","90","","90","","2615","3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 N2 P -","- C33 H27 N2 P -","- C132 H108 N8 P4 -","4","1","LI0116","Bethell, D.; Brown, M. P.; Harding, M. M.; Herbert, C. A.; Khodaei, M. M.; Rios, M. I.; Woolstencroft, K.","Structures of three diaryl-substituted triphenylphosphazines","Acta Crystallographica Section B","1992","48","5","683","687","10.1107/S0108768192001393","","","0.71069","Mo","","","","","","","","","","","","","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"2100872","6.25","0.001","12.143","0.001","23.44","0.002","90","","90","","90","","1778.9","0.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C19 H32 O3 -","- C19 H31 O3 -","- C76 H124 O12 -","4","1","GE0311","Kálmán, A.; Argay, G.; Zivanov-Stakić, D.; Vladimirov, S.; Ribár, B.","Novel observations on the `main-part' isostructuralism exhibited by various steroid molecules: structures of 5-androstene-3β,17β-diol monohydrate and a 1:2 adduct of digitoxigenin and digirezigenin","Acta Crystallographica Section B","1992","48","6","812","819","10.1107/S010876819200449X","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100877","61.896","0.008","11.424","0.001","8.134","0.001","90","","90","","90","","5751.6","1.1","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C53 H64 N8 O22 -","- C53 H64 N8 O22 -","- C212 H256 N32 O88 -","4","1","AS0605","Ebitani, M.; In, Y.; Ishida, T.; Sakaguchi, K.-i.; Flippen-Anderson, J. L.; Karle, I. L.","Structures of riboflavin tetraacetate and tetrabutyrate: molecular packing mode of riboflavin tetracarboxylate and its extensive stacking and hydrogen-bonding characteristics","Acta Crystallographica Section B","1993","49","1","136","144","10.1107/S0108768192007195","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2100879","5.644","0.001","12.094","0.003","22.548","0.004","90","","90","","90","","1539.1","0.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C15 H22 N2 O4 -","- C15 H22 N2 O4 -","- C60 H88 N8 O16 -","4","1","CD0063","Krause, J. A.; Baures, P. W.; Eggleston, D. S.","Molecular structures of <small>L</small>-Leu-<small>L</small>-Tyr, Gly-<small>D</small>,<small>L</small>-Met.<i>p</i>-toluenesulfonate and <small>L</small>-His-<small>L</small>-Leu","Acta Crystallographica Section B","1993","49","1","123","130","10.1107/S0108768192006207","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100887","8.912","0.001","10.154","0.002","32.704","0.005","90","","90","","90","","2959.5","0.8","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C28 H40 O12 -","- C28 H40 O12 -","- C112 H160 O48 -","4","1","HE1000","Ciunik, Z.; Jarosz, S.","Structure of precursors of higher-carbon sugars","Acta Crystallographica Section B","1993","49","1","101","107","10.1107/S0108768192005391","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100910","12.078","0.004","17.423","0.002","22.136","0.004","90","","90","","90","","4658.2","1.8","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C27 H30 N2 O4 -","- C27 H28.5 N2 O4 -","- C216 H228 N16 O32 -","8","2","AB0286","Larsen, S.; de Diego, H. L.; Kozma, D.","Optical resolution through diastereomeric salt formation: the crystal structures of cinchoninium (<i>R</i>)-mandelate and cinchoninium (<i>S</i>)-mandelate at low temperature","Acta Crystallographica Section B","1993","49","2","310","316","10.1107/S0108768192008371","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","190627","2020-10-21","18:00:00",""
"2100917","12.883","0.002","13.355","0.002","11.706","0.003","90","","90","","90","","2014","0.7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C15 H29 Co N6 O5 -","- C15 H29 Co N6 O5 -","- C60 H116 Co4 N24 O20 -","4","1","AS0610","Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y.; Ohgo, Y.; Baba, S.","Crystalline-state racemization of a chiral cyanoethyl group connected by a hydrogen bond","Acta Crystallographica Section B","1993","49","2","272","277","10.1107/S0108768192007948","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100918","13.177","0.002","13.12","0.002","11.694","0.002","90","","90","","90","","2021.7","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C15 H29 Co N6 O5 -","- C18 H31 Co N7 O5 -","- C72 H124 Co4 N28 O20 -","4","1","AS0610","Takenaka, Y.; Ohashi, Y.; Tamura, T.; Uchida, A.; Sasada, Y.; Ohgo, Y.; Baba, S.","Crystalline-state racemization of a chiral cyanoethyl group connected by a hydrogen bond","Acta Crystallographica Section B","1993","49","2","272","277","10.1107/S0108768192007948","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100927","8.455","0.002","12.648","0.002","14.65","0.003","90","","90","","90","","1566.7","0.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","HH0625","Wijayaratne, T.; Collins, N.; Li, Y.; Bruck, M. A.; Polt, R.","β-Alkoxy Schiff base‒oxazolidine tautomerism: solid-state structure of <i>N</i>-diphenylmethylene-<small>L</small>-threonine methyl ester","Acta Crystallographica Section B","1993","49","2","316","320","10.1107/S0108768192007778","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100933","11.347","0.002","11.162","0.002","6.668","0.002","90","","90","","90","","844.5","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C5 H11 N3 O6 -","- C5 H11 N3 O6 -","- C20 H44 N12 O24 -","4","1","PA0280","Zyss, J.; Pecaut, J.; Levy, J. P.; Masse, R.","Synthesis and crystal structure of guanidinium <small>L</small>-monohydrogentartrate: encapsulation of an optically nonlinear octupolar cation","Acta Crystallographica Section B","1993","49","2","334","342","10.1107/S0108768192008395","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100943","9.818","0.001","5.133","0.001","8.614","0.002","90","","90","","90","","434.11","0.14","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- H2 O6 S Ti -","- H2 O6 S Ti -","- H8 O24 S4 Ti4 -","4","1","AL0545","Gatehouse, B. M.; Platts, S. N.; Williams, T. B.","Structure of anhydrous titanyl sulfate, titanyl sulfate monohydrate and prediction of a new structure","Acta Crystallographica Section B","1993","49","3","428","435","10.1107/S010876819201320X","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2100952","7.731","0.003","12.815","0.004","16.011","0.006","90","","90","","90","","1586.3","1","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C10 H20 As Cl3 O5 -","- C10 H20 As Cl3 O5 -","- C40 H80 As4 Cl12 O20 -","4","1","HA0112","Alcock, N. W.; Ravindran, M.; Willey, G. R.","Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers: structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5, SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of relative binding strengths for crown ligands","Acta Crystallographica Section B","1993","49","3","507","514","10.1107/S0108768192009595","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100954","7.692","0.002","13.285","0.003","15.939","0.004","90","","90","","90","","1628.8","0.7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C10 H20 Bi Cl3 O5 -","- C10 H20 Bi Cl3 O5 -","- C40 H80 Bi4 Cl12 O20 -","4","1","HA0112","Alcock, N. W.; Ravindran, M.; Willey, G. R.","Preparations and structural correlations for the complexes of <i>M</i>^III^ halides (<i>M</i> = As, Sb, Bi) with crown ethers: structures of AsCl~3~.12-crown-4, AsCl~3~.15-crown-5, SbCl~3~.12-crown-4 and BiCl~3~.15-crown-5 and an evaluation of relative binding strengths for crown ligands","Acta Crystallographica Section B","1993","49","3","507","514","10.1107/S0108768192009595","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2100968","6.957","0.002","17.108","0.001","20.477","0.006","90","","90","","90","","2437.2","1","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C108 H128 N8 O24 -","4","1","KA0021","Oleksyn, B. J.; Serda, P.","Salt-bridge formation by <i>Cinchona</i> alkaloids: quininium salicylate monohydrate","Acta Crystallographica Section B","1993","49","3","530","534","10.1107/S0108768192011832","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","191100","2020-10-21","18:00:00",""
"2100998","6.733","0.001","6.831","0.001","24.486","0.002","90","","90","","90","","1126.2","0.3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O5 S -","- C9 H12 N2 O5 S -","- C36 H48 N8 O20 S4 -","4","1","GR0211","Li, H.; Kennedy, S. D.; Goldstein, B. M.","Solid-state and solution conformations of isotiazofurin: crystallographic, computational and ^1^H NMR studies","Acta Crystallographica Section B","1993","49","4","729","738","10.1107/S0108768193001053","","","1.54178","CuKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101009","8.762","0.001","13.984","0.001","16.569","0.001","90","","90","","90","","2030.2","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","MU0306","Lenstra, A. T. H.; Geise, H. J.; De Vos, E.; Esmans, E. L.; Alderweireldt, F. C.; Dillen, J. L. M.","2-(2,4:3,5-Di-<i>O</i>-benzylidene-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>allo</i>-pentitol-1-yl)pyridine, C~24~H~23~NO~5~","Acta Crystallographica Section B","1993","49","4","699","703","10.1107/S0108768192013296","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101034","11.741","0.006","16.155","0.005","25.895","0.007","90","","90","","90","","4912","3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C58 H47 N O12 -","- C58 H47 N O12 -","- C232 H188 N4 O48 -","4","1","HH0626","Forman, J. E.; Marsh, R. E.; Schaefer, W. P.; Dougherty, D. A.","Structure of a cyclophane host molecule","Acta Crystallographica Section B","1993","49","5","892","896","10.1107/S0108768193002435","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","194481","2020-10-21","18:00:00",""
"2101081","14.992","0.003","19.124","0.004","5.614","0.001","90","","90","","90","","1609.6","0.5","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","1","AS0644","Mori, Y.; Maeda, K.","Structures and photochemical reactions of 1-(9-anthryl)-2-aroylethylenes: competing <i>cis</i>‒<i>trans</i> isomerization and skeletal rearrangement","Acta Crystallographica Section B","1994","50","1","106","112","10.1107/S0108768193008961","","","0.71068","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101096","7.162","0.003","8.026","0.003","39.96","0.02","90","","90","","90","","2297","1.7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C17 H35 Cl2 N3 O8 -","- C17 H24 Cl2 N3 O8 -","- C68 H96 Cl8 N12 O32 -","4","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101097","6.417","0.001","6.892","0.002","15.629","0.005","90","","90","","90","","691.2","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C5 H10 N2 O2 -","- C5 H10 N2 O2 -","- C20 H40 N8 O8 -","4","1","HA0118","Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G.","Crystal and molecular structures of pyridazinone cardiovascular agents","Acta Crystallographica Section B","1994","50","1","71","85","10.1107/S0108768193005713","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101111","12.38","","8.88","","7.56","","90","","90","","90","","831.104","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","","","","","- C4 H8 -","- C8 -","- C32 -","4","1","CR0447","Dorset, D. L.; McCourt, M. P.; Kopp, S.; Wittmann, J.-C.; Lotz, B.","Direct determination of polymer crystal structures by electron crystallography ‒ isotactic poly(1-butene), form (III)","Acta Crystallographica Section B","1994","50","2","201","208","10.1107/S0108768193009140","","","","electron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101149","5.753","0.002","7.503","0.002","14.27","0.002","90","","90","","90","","616","0.3","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","SE0122","Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A.","Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures","Acta Crystallographica Section B","1994","50","3","363","373","10.1107/S0108768193008523","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101166","6.253","0.001","8.228","0.001","12.856","0.001","90","","90","","90","","661.44","0.14","","","","","","","","","","","Synthetic","5","P 21 21 21","P 2ac 2ab","","","","Lecontite","- H8 N Na O6 S -","- H8 N Na O6 S -","- H32 N4 Na4 O24 S4 -","4","1","AL0574","Arzt, S.; Glazer, A. M.","The optical activity and absolute optical chirality of NaNH~4~SO~4~.2H~2~O","Acta Crystallographica Section B","1994","50","4","425","431","10.1107/S0108768193014569","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:08",""
"2101171","9.367","0.01","13.69","0.02","23.04","0.03","90","","90","","90","","2955","7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C30 H32 O6 P2 Ru -","- C30 H32 O6 P2 Ru -","- C120 H128 O24 P8 Ru4 -","4","1","LI0165","Dodd, I. M.; Hao, Q.; Harding, M. M.; Prince, S. M.","Structure determination with Laue diffraction data ‒ including refinement when anomalous scatterers are present","Acta Crystallographica Section B","1994","50","4","441","447","10.1107/S0108768193014442","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101188","17.266","0.002","19.292","0.003","6.3739","0.0009","90","","90","","90","","2123.1","0.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","1","BR0026","Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J.","Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate","Acta Crystallographica Section B","1994","50","5","601","607","10.1107/S0108768194002582","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101189","11.798","0.001","43.563","0.003","8.4434","0.0008","90","","90","","90","","4339.5","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C192 H264 N8 O32 -","8","2","BR0026","Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J.","Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate","Acta Crystallographica Section B","1994","50","5","601","607","10.1107/S0108768194002582","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101190","11.021","0.002","56.481","0.008","6.84","0.001","90","","90","","90","","4257.7","1.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C48 H68 N2 O9 -","- C48 H66 N2 O9 -","- C192 H264 N8 O36 -","4","1","BR0026","Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J.","Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate","Acta Crystallographica Section B","1994","50","5","601","607","10.1107/S0108768194002582","","","1.54178","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101238","9.6789","0.0009","15.6129","0.0015","9.5209","0.0012","90","","90","","90","","1438.8","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C56 H72 N8 O16 -","4","1","SH0045","De Ridder, D. J. A.; Schenk, H.","Crystal studies of musk compounds. XI. Molecular structures of musk moskene and two homologues","Acta Crystallographica Section B","1994","50","6","724","730","10.1107/S0108768194006877","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101261","7.49","","7.78","","11.66","","90","","90","","90","","679.454","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C6 H12 O6 -","- C3 H6 O3 -","- C24 H48 O24 -","8","2","SH0057","van Eijck, B. P.; Mooij, W. T. M.; Kroon, J.","Attempted prediction of the crystal structures of six monosaccharides","Acta Crystallographica Section B","1995","51","1","99","103","10.1107/S0108768194009651","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101262","6.05","","9.35","","11.87","","90","","90","","90","","671.456","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","","","- C6 H12 O6 -","- C3 H6 O3 -","- C24 H48 O24 -","8","2","SH0057","van Eijck, B. P.; Mooij, W. T. M.; Kroon, J.","Attempted prediction of the crystal structures of six monosaccharides","Acta Crystallographica Section B","1995","51","1","99","103","10.1107/S0108768194009651","","","0.71073","MoKa","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101291","5.8999","0.0008","7.8433","0.0012","15.685","0.004","90","","90","","90","","725.8","0.2","95","2","95","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","SE0154","Kouwijzer, M. L. C. E.; van Eijck, B. P.; Kooijman, H.; Kroon, J.","An extension of the <i>GROMOS</i> force field for carbohydrates, resulting in improvement of the crystal structure determination of α-<small>D</small>-galactose","Acta Crystallographica Section B","1995","51","2","209","220","10.1107/S0108768194011262","","","1.54184","CuKa","","0.0611","0.059","","0.1649","0.1634","","","","1.121","1.138","1.138","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101292","6.5949","0.0011","9.014","0.002","12.72","0.002","90","","90","","90","","756.2","0.2","95","2","95","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","SE0154","Kouwijzer, M. L. C. E.; van Eijck, B. P.; Kooijman, H.; Kroon, J.","An extension of the <i>GROMOS</i> force field for carbohydrates, resulting in improvement of the crystal structure determination of α-<small>D</small>-galactose","Acta Crystallographica Section B","1995","51","2","209","220","10.1107/S0108768194011262","","","0.71073","MoKa","","0.0549","0.0476","","0.1324","0.1286","","","","1.078","1.097","1.097","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101294","8.358","0.0011","13.8976","0.0017","15.5915","0.0012","90","","90","","90","","1811","0.4","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-Biphenyldiphenylmethanol","4-Biphenyldiphenylmethanol","","- C25 H20 O -","- C25 H20 O -","- C100 H80 O4 -","4","1","AB0331","Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J.","Hydrogen bonding in diphenylmethanols, <i>R</i>CPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol","Acta Crystallographica Section B","1995","51","3","367","377","10.1107/S0108768194013984","","","0.71069","MolybdenumKα","","0.095","0.032","","0.048","0.04","","","","","1.09","1.09","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101325","20.23","0.006","18.921","0.005","8.205","0.003","90","","90","","90","","3140.6","1.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C31 H23 Cl O13 -","- C31 H22 Cl O13 -","- C124 H88 Cl4 O52 -","4","1","PA0299","Prangé, T.; Neuman, A.; Milat, M.-L.; Blein, J. P.","The yellow toxins produced by <i>Cercospora beticola</i>. V. Structure of beticolins 2 and 4","Acta Crystallographica Section B","1995","51","3","308","314","10.1107/S0108768194006063","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","190627","2020-10-21","18:00:00",""
"2101326","20.585","0.005","18.721","0.004","8.206","0.003","90","","90","","90","","3162.4","1.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C31 H23 Cl O14 -","- C31 H13 Cl O14 -","- C124 H52 Cl4 O56 -","4","1","PA0299","Prangé, T.; Neuman, A.; Milat, M.-L.; Blein, J. P.","The yellow toxins produced by <i>Cercospora beticola</i>. V. Structure of beticolins 2 and 4","Acta Crystallographica Section B","1995","51","3","308","314","10.1107/S0108768194006063","","","1.5418","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101330","28.9","0.002","8.747","0.003","7.585","0.001","90","","90","","90","","1917.4","0.7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C16 H24 Br2 N2 O3 -","- C16 H24 Br2 N2 O3 -","- C64 H96 Br8 N8 O12 -","4","1","AB0336","Stensland, B.; Csöregh, I.; Högberg, T.","Conformation of the two potential antipsychotic agents (‒)-(<i>S</i>)-3-bromo-5,6-dimethoxy-<i>N</i>-[(1-ethyl-2-pyrrolidinyl)methyl]benzamide, FLB 457, and its 2-hydroxy analogue, FLB 463","Acta Crystallographica Section B","1995","51","5","847","856","10.1107/S0108768195001790","","","1.54184","Cu","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101383","6.372","0.001","10.206","0.002","31.085","0.005","90","","90","","90","","2021.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","GL2E4-2","GL2E4-1-1","","- C20 H28 O8 -","- C20 H28 O8 -","- C80 H112 O32 -","4","1","AS0679","Doi, M.; In, Y.; Nishino, T.; Ishida, T.; Inoue, M.; Shibuya, H.; Ohashi, K.; Narita, N.; Kitagawa, I.","Structural properties of synthetic ionophore <i>GL</i>~2~<i>E</i>~4~ diastereomers, 18-membered cyclic lactone tetraepoxides, by X-ray crystal analyses: possible relation between crystal structure and Ca^2+^-transportation ability","Acta Crystallographica Section B","1995","51","6","1045","1050","10.1107/S0108768195004678","","","1.5418","CuKα","","0.0488","0.0389","","0.1092","0.0958","","","","0.993","0.964","0.964","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101398","13.925","0.001","14.715","0.001","5.076","0.001","90","","90","","90","","1040.1","0.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","BK0024","Chen, L.; Craven, B. M.","Electrostatic properties of β-cytidine and cytosine monohydrate from Bragg diffraction","Acta Crystallographica Section B","1995","51","6","1081","1097","10.1107/S0108768195005672","","","0.5608","Ag","","","","","","","","","","","","","","","","","has coordinates","190627","2020-10-21","18:00:00",""
"2101408","16.054","0.008","17.128","0.009","22.706","0.012","90","","90","","90","","6244","6","188","2","188","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Triostin C","","","- C54.67 H72 Cl2 N12 O12.67 S2 -","- C54.661 H70.661 Cl1.983 N12 O12.678 S2 -","- C218.644 H282.644 Cl7.932 N48 O50.712 S8 -","4","1","HE0091","Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J.","Structures of quinoxaline antibiotics","Acta Crystallographica Section B","1995","51","6","987","999","10.1107/S010876819401503X","","","0.71073","MoKα","","0.1403","0.0765","","0.1626","0.1267","","","","1.111","1.122","1.122","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101409","20.94","0.02","18.53","0.02","18.8","0.02","90","","90","","90","","7295","13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Triostin A","","","- C64 H90 N12 O16 S2 -","- C64 H90 N12 O16 S2 -","- C256 H360 N48 O64 S8 -","4","1","HE0091","Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J.","Structures of quinoxaline antibiotics","Acta Crystallographica Section B","1995","51","6","987","999","10.1107/S010876819401503X","","","1.5418","CuKα","","0.0935","0.0679","","0.1824","0.1641","","","","1.059","1.227","1.227","","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2101428","9.89","0.002","15.324","0.006","6.302","0.003","90","","90","","90","","955.1","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C7 H16 Cl N O2 -","- C7 H16 Cl N O2 -","- C28 H64 Cl4 N4 O8 -","4","1","AB0341","Frydenvang, K.; Jensen, B.","Conformational analysis of acetylcholine and related choline esters","Acta Crystallographica Section B","1996","52","1","184","193","10.1107/S0108768195007567","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101447","20.102","0.006","19.797","0.009","13.436","0.003","90","","90","","90","","5347","3","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","","","","","- C12 H8 Al0.08 Cl4 O48 Si23.92 -","- C12 H8 Cl4 O48 Si24 -","- C48 H32 Cl16 O192 Si96 -","4","1","HU0427","van Koningsveld, H.; Jansen, J. C.; van Bekkum, H.","The location of <i>p</i>-dichlorobenzene in a single crystal of zeolite H-ZSM-5 at high sorbate loading","Acta Crystallographica Section B","1996","52","1","140","144","10.1107/S0108768195008524","","","0.71073","Mo","","","0.046","","","0.039","","","","2.27","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101452","15.875","0.001","17.583","0.001","24.27","0.002","90","","90","","90","","6774.5","0.8","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C42 H92.5 Ca2 Cl4 O46.25 -","- C42 H49 Ca2 Cl4 O47 -","- C168 H196 Ca8 Cl16 O188 -","4","1","PA0290","Nicolis, I.; Coleman, A. W.; Charpin, P.; Rango, C. de","First sphere coordination of divalent metal cations by cyclodextrin: structure of the β-cyclodextrin‒calcium chloride‒water (1/2/11.25) compound","Acta Crystallographica Section B","1996","52","1","122","130","10.1107/S0108768195002321","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101453","11.136","0.002","6.649","0.001","8.091","0.001","90","","90","","90","","599.08","0.16","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C6 H5 N O3 -","- C6 H5 N O3 -","- C24 H20 N4 O12 -","4","1","PA0307","Hamzaoui, F.; Baert, F.; Wojcik, G.","Electron-density study of <i>m</i>-nitrophenol in the orthorhombic structure","Acta Crystallographica Section B","1996","52","1","159","164","10.1107/S0108768195006719","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","190627","2020-10-21","18:00:00",""
"2101464","14.926","0.004","18.433","0.004","10.642","0.005","90","","90","","90","","2927.9","1.7","296","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 Co N5 O4 P -","- C31 H37 Co N6 O4 P -","- C124 H148 Co4 N24 O16 P4 -","4","1","AS0694","Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y.","Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates","Acta Crystallographica Section B","1996","52","2","303","313","10.1107/S0108768195011736","","","0.71073","MoKα","","","0.0663","","","0.1437","","","","","0.981","0.981","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101496","8.321","0.002","12.411","0.004","17.008","0.006","90","","90","","90","","1756.4","0.9","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C76 H84 N12 O8 -","4","1","KA0029","André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P.","The crystal packing modes of three sterically overcrowded imidazole derivatives","Acta Crystallographica Section B","1996","52","2","369","375","10.1107/S0108768195011293","","","1.5418","CuKα","","","0.035","","","0.033","","","","","4.06","4.06","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2101519","6.9774","0.0006","13.083","0.001","20.401","0.001","90","","90","","90","","1862.3","0.2","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C8 H4 N4 O6 -","- C8 H4 N4 O6 -","- C64 H32 N32 O48 -","8","2","CR0473","Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W.","Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor","Acta Crystallographica Section B","1996","52","3","487","499","10.1107/S0108768195011773","","","1.54178","CuKα","","","0.035","","","0.0922","","","","","1.064","1.064","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101526","7.204","0.006","13.67","0.011","6.041","0.006","90","","90","","90","","594.9","0.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C4 H8 O3 S -","- C4 H8 O3 S -","- C16 H32 O12 S4 -","4","1","HU0421","Hellier, D.G.; Luger, P.; Buschmann, J.","Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K","Acta Crystallographica Section B","1996","52","3","505","508","10.1107/S0108768195012912","","","0.71068","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101527","18.238","0.006","10.265","0.003","6.616","0.002","90","","90","","90","","1238.6","0.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C4 H8 O3 S -","- C4 H8 O3 S -","- C32 H64 O24 S8 -","8","2","HU0421","Hellier, D.G.; Luger, P.; Buschmann, J.","Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K","Acta Crystallographica Section B","1996","52","3","505","508","10.1107/S0108768195012912","","","0.71068","MoKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101529","7.81","0.002","15.007","0.003","18.326","0.003","90","","90","","90","","2147.9","0.8","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","","","- C21 H25 Cl N2 O4 -","- C21 H25 Cl N2 O4 -","- C84 H100 Cl4 N8 O16 -","4","1","HU0429","Declercq, J.-P.; Dubourg, A.; Payrastre, C.; Mazières, M.-R.; Madaule, Y.; Wolf, J.-G.","Structure of 1,5-bis(dimethylamino)-1,5-diphenylpentadienylium perchlorate and modelling of pentadienylium salts (cyanine dyes)","Acta Crystallographica Section B","1996","52","3","500","504","10.1107/S0108768195012559","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101530","6.234","0.002","15.628","0.003","30.749","0.01","90","","90","","90","","2995.7","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H50 O6 -","- C27 H50 O6 -","- C108 H200 O24 -","4","1","NA0072","Suwińska, K.; Kutner, A.","Crystal and molecular structure of 1,25-dihydroxycholecalciferol","Acta Crystallographica Section B","1996","52","3","550","554","10.1107/S0108768195017071","","","1.54178","CuKα","","0.2232","0.0803","","0.2751","0.1854","","","","0.974","1.212","1.212","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101603","16.7042","0.0005","24.4881","0.0006","6.3891","0.0001","90","","90","","90","","2613.49","0.11","296","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H46 N3 O7 P -","- C21 H46 N3 O7 P -","- C84 H184 N12 O28 P4 -","4","1","CR0512","Souhassou, M.; Schaber, P. M.; Blessing, R. H.","Structure of tris(cyclohexylammonium) phosphoenolpyruvate monohydrate and crystal chemistry of phosphoenolpyruvates","Acta Crystallographica Section B","1996","52","5","865","875","10.1107/S0108768196005241","","","0.7107","MoKα","","","0.0608","","","0.0391","","","","","1.42","1.42","","","","","has coordinates","191105","2020-10-21","18:00:00",""
"2101609","5.084","0.001","11.012","0.001","17.899","0.003","90","","90","","90","","1002.1","0.3","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N3 O5 -","- C8 H13 N3 O5 -","- C32 H52 N12 O20 -","4","1","LI0226","Suresh, S.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXX. Structural invariance and optical resolution through interactions with an achiral molecule in the histidine complexes of glycolic acid","Acta Crystallographica Section B","1996","52","5","876","881","10.1107/S0108768196005368","","","0.71069","MoKα","","","0.0313","","","0.0851","","","","","1.078","1.078","","","","","has coordinates","190627","2020-10-21","18:00:00",""
"2101812","17.983","0.002","20.682","0.003","9.384","0.006","90","","90","","90","","3490","2","294","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 O3 P2 -","- C42 H35 O3 P2 -","- C168 H140 O12 P8 -","4","1","FG0006","Fu, T. Y.; Liu, Z.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylphosphine Oxide)","Acta Crystallographica Section B","1997","53","2","293","299","10.1107/S0108768196013602","","","1.5418","CuKα","","0.0601","0.0386","","0.0426","0.0411","","","","2.372","2.564","2.564","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101813","18.191","0.001","20.748","0.002","9.436","0.002","90","","90","","90","","3561.4","0.9","294","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 O3 P2 -","- C43 H37 O3 P2 -","- C172 H148 O12 P8 -","4","1","FG0006","Fu, T. Y.; Liu, Z.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylphosphine Oxide)","Acta Crystallographica Section B","1997","53","2","293","299","10.1107/S0108768196013602","","","1.5418","CuKα","","0.1244","0.0396","","0.079","0.039","","","","3.504","2.102","2.102","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101814","18.076","0.002","20.904","0.002","9.432","0.006","90","","90","","90","","3564","2","294","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 O3 P2 -","- C43 H37 O3 P2 -","- C172 H148 O12 P8 -","4","1","FG0006","Fu, T. Y.; Liu, Z.; Olovsson, G.; Scheffer, J. R.; Trotter, J.","Structures and Photochemistry of Inclusion Compounds of 9,10-Dihydro-9,10-ethenoanthracene-11,12-bis(diphenylphosphine Oxide)","Acta Crystallographica Section B","1997","53","2","293","299","10.1107/S0108768196013602","","","1.5418","CuKα","","0.101","0.0415","","0.045","0.0413","","","","1.739","2.066","2.066","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2101829","6.751","0.004","11.746","0.007","12.003","0.008","90","","90","","90","","951.8","1","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H14 Ni O11 S -","- H14 Ni O11 S -","- H56 Ni4 O44 S4 -","4","1","AB0357","Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.","Charge Density in Orthorhombic NiSO~4~.7H~2~O at Room Temperature and 25 K","Acta Crystallographica Section B","1997","53","3","325","336","10.1107/S0108768196014061","","","0.71069","MoKα","","","0.0137","","","0.0327","","","","","2.162","2.162","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101830","6.706","0.003","11.796","0.006","11.949","0.006","90","","90","","90","","945","1","25","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H14 Ni O11 S -","- H14 Ni O11 S -","- H56 Ni4 O44 S4 -","4","1","AB0357","Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.","Charge Density in Orthorhombic NiSO~4~.7H~2~O at Room Temperature and 25 K","Acta Crystallographica Section B","1997","53","3","325","336","10.1107/S0108768196014061","","neutron","1.215","neutron","","","0.034","","","0.046","","","","","1.68","1.68","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2101831","6.706","0.003","11.796","0.006","11.949","0.006","90","","90","","90","","945","1","25","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H14 Ni O11 S -","- H14 Ni O11 S -","- H56 Ni4 O44 S4 -","4","1","AB0357","Ptasiewicz-Bak, H.; Olovsson, I.; McIntyre, G. J.","Charge Density in Orthorhombic NiSO~4~.7H~2~O at Room Temperature and 25 K","Acta Crystallographica Section B","1997","53","3","325","336","10.1107/S0108768196014061","","","0.71069","MoKα","","","0.0149","","","0.0338","","","","","1.458","1.458","","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2101833","9.4222","0.0011","11.1886","0.0015","15.694","0.002","90","","90","","90","","1654.5","0.4","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Diazabicyclo[2.2.2]octane- 4,4'-Oxodiphenol (1/1)","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","AB0360","Ferguson, George","Crystal Engineering Using Bisphenols. Chains, Ladders and Sheets Formed by the Adducts of 1,4-Diazabicyclo[2.2.2]octane with Bisphenols: Structures of Adducts with 4,4'-Isopropylidenediphenol (1/1), 4,4'-Oxodiphenol (1/1) and 4,4'-Thiodiphenol (1/1 and 2/1)","Acta Crystallographica Section B","1997","53","3","513","520","10.1107/S0108768196014036","","","0.7107","MolybdenumKα","","0.0981","0.0582","","0.134","0.1197","","","","0.951","1.181","1.181","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2101834","9.5785","0.0011","11.4525","0.0013","15.759","0.002","90","","90","","90","","1728.7","0.4","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,4-Diazabicyclo[2.2.2]octane- 4,4'-Thiodiphenol (1/1)","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","AB0360","Ferguson, George","Crystal Engineering Using Bisphenols. Chains, Ladders and Sheets Formed by the Adducts of 1,4-Diazabicyclo[2.2.2]octane with Bisphenols: Structures of Adducts with 4,4'-Isopropylidenediphenol (1/1), 4,4'-Oxodiphenol (1/1) and 4,4'-Thiodiphenol (1/1 and 2/1)","Acta Crystallographica Section B","1997","53","3","513","520","10.1107/S0108768196014036","","","0.7107","MolybdenumKα","","0.1407","0.0724","","0.1762","0.1531","","","","0.973","1.262","1.262","","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2101839","6.9928","0.001","14.0949","0.0015","30.999","0.004","90","","90","","90","","3055.3","0.7","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N8 O3 -","- C32 H42 N8 O3 -","- C128 H168 N32 O12 -","4","1","AB0361","Ferguson, George","Crystal Engineering Using Bisphenols and Trisphenols. Complexes with Hexamethylenetetramine (HMTA): Strings, Multiple Helices and Chains-of-Rings in the Crystal Structures of the Adducts of HTMA with 4,4'-Thiodiphenol (1/1), 4,4'-Sulfonyldiphenol (1/1), 4,4'-Isopropylidenediphenol (1/1), 1,1,1-Tris(4-hydroxyphenyl)ethane (1/2) and 1,3,5-Trihydroxybenzene (2/3)","Acta Crystallographica Section B","1997","53","3","521","533","10.1107/S0108768196014048","","","0.7107","MolybdenumKα","","0.149","0.0636","","0.1022","0.0841","","","","0.938","1.248","1.248","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101849","6.4201","0.0006","13.408","0.001","14.584","0.002","90","0.009","90","0.01","90","0.008","1255.4","0.2","294","1","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C2 H11 N11 O9 -","- C2 H11 N11 O9 -","- C8 H44 N44 O36 -","4","1","BK0035","Pinkerton, A. Alan","Energetic Materials: The Preparation and Structural Characterization of Three Biguanidinium Dinitramides","Acta Crystallographica Section B","1997","53","3","504","512","10.1107/S0108768196013183","","","0.71073","MoKα","","0.087","0.04","","","0.032","","","","","2.565","2.565","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101879","6.8576","0.0003","6.8831","0.0005","19.988","0.002","90","","90","","90","","943.5","0.1","","","218","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","NA0078","Sañé, J.; Ruis, J.; Calvet, T.; Cuevas-Diarte, M. A.","Chiral Molecular Alloys: Patterson-Search Structure Determination of <small>L</small>-Carvone and <small>DL</small>-Carvone from X-ray Powder Diffraction Data at 218 K","Acta Crystallographica Section B","1997","53","4","702","707","10.1107/S0108768197002905","","","1.54051","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","208463","2020-10-21","18:00:00",""
"2101895","11.652","0.002","13.82","0.002","7.241","0.002","90","","90","","90","","1166","0.4","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-3,3'-dimethylazobenzene","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","OA0007","Harada, J.; Ogawa, K.; Tomoda, S.","Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction","Acta Crystallographica Section B","1997","53","4","662","672","10.1107/S0108768197002772","","","0.71073","Mo_Kα","","0.1072","0.0464","","0.1377","0.1148","","","","1.021","1.083","1.083","","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2101904","5.6938","0.0007","5.7913","0.0007","27.052","0.004","90","","90","","90","","892","0.2","122","0.5","122","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(+)-3-hydroxy-3-(3'-chloro)phenylpropionic acid","","- C9 H9 Cl O3 -","- C9 H9 Cl O3 -","- C36 H36 Cl4 O12 -","4","1","AB0374","Sine Larsen; Katalin Marthi","Structural and Thermodynamic Relationships Between Optically Active and Racemic Compounds. The Crystal Structures of Optically Active Chloro- and Bromo-Substituted 3-Hydroxy-3-phenylpropionic Acids","Acta Crystallographica Section B","1997","53","5","803","811","10.1107/S0108768197007775","","","1.54184","CuKα","","0.0202","0.02","","0.0531","0.053","","","","1.066","1.07","1.07","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101905","5.802","0.0008","5.8638","0.0008","27.345","0.004","90","","90","","90","","930.3","0.2","122","0.5","122","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(+)-3-hydroxy-3-(3'-bromo)phenylpropionic acid","","- C9 H9 Br O3 -","- C9 H9 Br O3 -","- C36 H36 Br4 O12 -","4","1","AB0374","Sine Larsen; Katalin Marthi","Structural and Thermodynamic Relationships Between Optically Active and Racemic Compounds. The Crystal Structures of Optically Active Chloro- and Bromo-Substituted 3-Hydroxy-3-phenylpropionic Acids","Acta Crystallographica Section B","1997","53","5","803","811","10.1107/S0108768197007775","","","1.54184","CuKα","","0.0342","0.0322","","0.0974","0.0854","","","","1.085","1.09","1.09","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101906","16.155","0.003","16.154","0.003","14.75","0.007","90","","90","","90","","3849","2","122","0.5","122","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Cl5 Cr2 H33 N10 O2 -","- Cl5 Cr2 H32.5 N10 O2 -","- Cl40 Cr16 H260 N80 O16 -","8","2","AB0375","Harris, P.; Birkedal, H.; Larsen, S.; Güdel, H. U.","A New Study of the Acid Rhodo Complex Salt [(NH~3~)~5~CrOHCr(NH~3~)~5~]Cl~5~.H~2~O Shows That the Crystals are Orthorhombic","Acta Crystallographica Section B","1997","53","5","795","802","10.1107/S0108768197007829","","","0.71073","MoKα","","0.0299","0.0281","","0.0779","0.0756","","","","1.071","1.052","1.052","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101913","7.36","","8.344","0.0001","20.4292","0.0003","90","","90","","90","","1254.59","0.02","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O4 P -","- C11 H15 O4 P -","- C44 H60 O16 P4 -","4","1","BK1251","Blazis, Vincent J.; Koeller, Kevin J.; Rath, Nigam P.; Spilling, Christopher D.","Application of Wallach's Rule in a Comparison of the X-ray Crystal Structures of the Racemate and the (<i>S</i>) Enantiomer of (1-Hydroxy-3-phenyl-2-propenyl) Dimethylphosphonate","Acta Crystallographica Section B","1997","53","5","838","842","10.1107/S0108768197005703","","","0.71073","MoKα","","0.046","0.04","","0.107","0.103","","","","1.04","1.05","1.05","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2101919","11.007","0.002","13.945","0.004","8.08","0.002","90","","90","","90","","1240.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,10-dibromodecane/urea inclusion","","- C1.7 H5.54 Br0.14 N2 O -","- C3.33333 H4 N2 O -","- C40 H48 N24 O12 -","12","3","HA0155","Yeo, L.; Harris, K. D. M.","Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds","Acta Crystallographica Section B","1997","53","5","822","830","10.1107/S0108768197005417","","","0.71069","MoKα","","0.1534","0.1354","","0.3313","0.3162","","","","1.111","1.148","1.148","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101920","10.93","0.002","14.133","0.003","8.186","0.002","90","","90","","90","","1264.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.08 H6.16 Br0.18 N2 O -","- C3.33333 H4 N2 O -","- C40 H48 N24 O12 -","12","3","HA0155","Yeo, L.; Harris, K. D. M.","Definitive Structural Characterization of the Conventional Low-Temperature Host Structure in Urea Inclusion Compounds","Acta Crystallographica Section B","1997","53","5","822","830","10.1107/S0108768197005417","","","0.71069","MoKα","","0.1337","0.1234","","0.3448","0.3348","","","","1.036","1.068","1.068","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101955","9.572","0.003","10.039","0.003","10.548","0.003","90","","90","","90","","1013.6","0.5","110","5","110","5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycyl-L-Threonine Dihydrate","Glycyl-L-Threonine Dihydrate","","- C6 H16 N2 O6 -","- C6 H16 N2 O6 -","- C24 H64 N8 O24 -","4","1","AN0564","Benabicha, Farid; Pichon-Pesme, Virginie; Jelsch, Christian; Lecomte, Claude; Khmou, Ahmed","Experimental charge density and electrostatic potential of glycyl-<small>L</small>-threonine dihydrate","Acta Crystallographica Section B","2000","56","1","155","165","10.1107/S0108768199014251","","","0.71068","MoKα","","","0.0247","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101990","5.5704","0.0008","8.619","0.001","30.356","0.005","90","","90","","90","","1457.4","0.4","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O5 S -","- C15 H13 N O5 S -","- C60 H52 N4 O20 S4 -","4","1","NA0095","Olivato, Paulo R.; Guerrero, Sandra A.; Zukerman-Schpector, J.","Preferred conformations in the solid state of some α-(<i>p</i>-phenylsulfinyl)-<i>p</i>-substituted acetophenones","Acta Crystallographica Section B","2000","56","1","112","117","10.1107/S0108768199008599","","","0.71073","MoKα","","0.2164","0.1067","","0.3371","","0.2887","","","1.009","","","1.009","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102075","6.318","0.0004","6.4489","0.0005","38.841","0.003","90","","90","","90","","1582.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-Oxa-5-alpha-androstane-3,17-dione","2-Oxa-5-alpha-androstane-3,17-dione","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","KA0049","Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini","Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality","Acta Crystallographica Section B","2000","56","3","512","525","10.1107/S0108768199015542","","","1.54178","CuKα","","0.037","0.0307","","","","0.0886","","","","","","1.045","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102076","14.241","0.002","9.4401","0.0009","11.648","0.002","90","","90","","90","","1565.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","17-Hydroxy-2-oxaandrost-4-ene-3-one","17-Hydroxy-2-oxaandrost-4-ene-3-one","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","KA0049","Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini","Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality","Acta Crystallographica Section B","2000","56","3","512","525","10.1107/S0108768199015542","","","1.54178","CuKα","","0.034","0.0305","","","","0.0959","","","","","","1.068","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102078","6.335","0.001","9.482","0.001","27.245","0.006","90","","90","","90","","1636.6","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-hydroxy-2-oxa-5beta-androstane-3,17-dione","6-hydroxy-2-oxa-5beta-androstane-3,17-dione","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","KA0049","Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini","Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality","Acta Crystallographica Section B","2000","56","3","512","525","10.1107/S0108768199015542","","","1.54178","CuKα","","0.115","0.0344","","","","0.1042","","","","","","0.982","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102079","9.3361","0.0007","9.6261","0.0007","17.764","0.002","90","","90","","90","","1596.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6,17-dihydroxy-2-oxaandrost-4-ene-3-one","6,17-dihydroxy-2-oxaandrost-4-ene-3-one","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","KA0049","Anthony, Addlagatta; Jaskólski, Mariusz; Nangia, Ashwini","Crystal chemistry of some synthetic 2-oxa-steroids: conformation, packing motifs and isostructurality","Acta Crystallographica Section B","2000","56","3","512","525","10.1107/S0108768199015542","","","1.54178","CuKα","","0.0351","0.0305","","0.1024","0.0859","","","","1.058","1.059","1.059","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102088","7.984","0.002","9.535","0.003","18.352","0.005","90","","90","","90","","1397.1","0.7","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C52 H76 N12 O24 -","4","1","BS0010","Pichon-Pesme, Virginie; Lachekar, Hassane; Souhassou, Mohamed; Lecomte, Claude","Electron density and electrostatic properties of two peptide molecules: tyrosyl-glycyl-glycine monohydrate and glycyl-aspartic acid dihydrate","Acta Crystallographica Section B","2000","56","4","728","737","10.1107/S0108768100004390","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102089","9.659","0.001","9.672","0.001","10.739","0.001","90","","90","","90","","1003.26","0.17","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 N2 O7 -","- C6 H14 N2 O7 -","- C24 H56 N8 O28 -","4","1","BS0010","Pichon-Pesme, Virginie; Lachekar, Hassane; Souhassou, Mohamed; Lecomte, Claude","Electron density and electrostatic properties of two peptide molecules: tyrosyl-glycyl-glycine monohydrate and glycyl-aspartic acid dihydrate","Acta Crystallographica Section B","2000","56","4","728","737","10.1107/S0108768100004390","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","191100","2020-10-21","18:00:00",""
"2102132","5.9556","0.0005","8.0972","0.0005","11.896","0.0008","90","","90","","90","","573.67","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(+)-Tartaric acid monoamide","","- C4 H7 N O5 -","- C4 H7 N O5 -","- C16 H28 N4 O20 -","4","1","CF0011","Rychlewska, Urszula; Warżajtis, Beata","Packing modes of (<i>R</i>,<i>R</i>)-tartaric acid esters and amides","Acta Crystallographica Section B","2000","56","5","833","848","10.1107/S0108768100004274","","","0.71073","MoKα","","0.0357","0.0328","","0.0986","0.0845","","","","1.008","1.02","1.02","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102134","5.094","0.001","11.243","0.002","16.295","0.004","90","","90","","90","","933.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(+)-Tartaric acid N,N'-dimethyldiamide monohydrate","","- C6 H14 N2 O5 -","- C6 H14 N2 O5 -","- C24 H56 N8 O20 -","4","1","CF0011","Rychlewska, Urszula; Warżajtis, Beata","Packing modes of (<i>R</i>,<i>R</i>)-tartaric acid esters and amides","Acta Crystallographica Section B","2000","56","5","833","848","10.1107/S0108768100004274","","","0.71073","MoKα","","0.0815","0.0571","","0.1627","0.146","","","","1.042","1.041","1.041","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102146","8.9136","0.0006","11.2501","0.0006","13.0585","0.0012","90","","90","","90","","1309.49","0.16","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) Valine","","- C10 H15 N5 O4 -","- C10 H15 N5 O4 -","- C40 H60 N20 O16 -","4","1","NA0105","Low, John N.; Ferguson, George; Glidewell, Christopher","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, valine, serine, threonine and methionine: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2000","56","5","882","892","10.1107/S0108768100005437","","","0.7093","MoKα","","0.0567","0.044","","","","0.126","","","","","","1.036","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102147","6.5574","0.0007","7.686","0.002","22.222","0.003","90","","90","","90","","1120","0.3","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) Serine Monohydrate","","- C8 H13 N5 O6 -","- C8 H13 N5 O6 -","- C32 H52 N20 O24 -","4","1","NA0105","Low, John N.; Ferguson, George; Glidewell, Christopher","<i>N</i>-(6-Amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl) derivatives of glycine, valine, serine, threonine and methionine: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2000","56","5","882","892","10.1107/S0108768100005437","","","0.7107","MolybdenumKα","","0.0877","0.052","","","","0.1113","","","","","","0.977","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102194","10.327","0.003","10.345","0.004","10.406","0.005","90","","90","","90","","1111.7","0.8","85","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd2 O12 S3 Tl2 -","- Cd2 O12 S3 Tl2 -","- Cd8 O48 S12 Tl8 -","4","1","NA0103","Guelylah, A.; Madariaga, G.; Morgenroth, W.; Aroyo, M. I.; Breczewski, T.; Bocanegra, E. H.","X-ray structure determination of the monoclinic (121K) and orthorhombic (85K) phases of langbeinite-type dithallium dicadmium sulfate","Acta Crystallographica Section B","2000","56","6","921","935","10.1107/S0108768100009514","","x-ray","0.71073","MoKα","","0.0888","0.0573","","0.0804","","0.0602","","","1.94","","","2.33","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102196","11.876","0.0005","13.8395","0.0006","15.8571","0.0007","90","","90","","90","","2606.2","0.2","100","2","100","2","","","","","","","Synthesised by authors, see text","4","P 21 21 21","P 2ac 2ab","19","","meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane‒5- hydroxyisophthalic acid‒water (1/1/1)","","- C24 H44 N4 O6 -","- C24 H44 N4 O6 -","- C96 H176 N16 O24 -","4","1","NA0108","Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Adducts of <i>meso</i> and racemic 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane with trigonally trisubstituted benzene carboxylic acids: supramolecular structures in one and two dimensions","Acta Crystallographica Section B","2000","56","6","1054","1062","10.1107/S0108768100008302","","","0.71073","MoKα","","0.075","0.0579","","","0.1169","0.1243","","","","","","1.044","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102224","6.881","0.002","9.14","0.003","24.4636","0.001","90","","90","","90","","1538.6","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Amino-5-nitroso-4,6-bis(3-pyridylmethoxy)pyrimidine","","- C16 H14 N6 O3 -","- C16 H14 N6 O3 -","- C64 H56 N24 O12 -","4","1","NA5007","Quesada, Antonio; Marchal, Antonio; Melguizo, Manuel; Low, John N.; Glidewell, Christopher","Symmetrically 4,6-disubstituted 2-aminopyrimidines and 2-amino-5-nitrosopyrimidines: interplay of molecular, molecular‒electronic and supramolecular structures","Acta Crystallographica Section B","2004","60","1","76","89","10.1107/S0108768103024856","","","0.71073","MoKα","","0.0922","0.0487","","","0.0882","0.1003","","","","","","1.004","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102239","12.562","0.009","16.156","0.005","21.086","0.008","90","","90","0.003","90","","4279","4","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N'-monotiooxalyl-bis(L-leucine methyl ester)","","- C16 H28 N2 O5 S -","- C16 H28 N2 O5 S -","- C128 H224 N16 O40 S8 -","8","2","SN0036","Kojić-Prodić, Biserka; Perić, Berislav; Zoran Štefanić; Anton Meden; Makarević, Janja; Jokić, Milan; Žinić, Mladen","Supramolecular assembling using synthons with NH—CO(S)—CS—NH and NH—CO—CO—NH functionalities: crystal structures of (<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-monothiooxalyldileucine methyl ester and its dithio analogue","Acta Crystallographica Section B","2004","60","1","90","96","10.1107/S0108768103029173","","","1.54128","CuKα","","","0.0599","","","","0.174","","","","","","1.01","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102304","5.2311","0.0005","8.2292","0.0007","11.137","0.001","90","","90","","90","","479.42","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O -","- C4 H9 N O -","- C16 H36 N4 O4 -","4","1","AV5005","Parkin, Andrew; Oswald, Iain D. H.; Parsons, Simon","Structures of piperazine, piperidine and morpholine","Acta Crystallographica Section B","2004","60","2","219","227","10.1107/S0108768104003672","","","0.71073","MoKα","","0.0486","0.0441","","0.1057","0.1016","0.1057","","","","","","1.1148","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2102479","15.0687","0.0001","17.6502","0.0002","29.4386","0.0003","90","","90","","90","","7829.65","0.13","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2003vt02vh02b","","","- C56 H122 N2 O51 -","- C56 H92 N2 O51 -","- C224 H368 N8 O204 -","4","1","BM5006","Llamas-Saiz, Antonio L.","Crystal structure of the supramolecular linear polymer formed by the self-assembly of mono-6-deoxy-6-adamantylamide-β-cyclodextrin","Acta Crystallographica Section B","2004","60","2","204","210","10.1107/S0108768104003775","","","1.5418","CuKα","","0.0887","0.085","","","0.244","0.25","","","","","","1.05","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2102488","5.2951","0.0003","8.1213","0.0004","27.256","0.002","90","","90","","90","","1172.09","0.12","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Tryptophan Formic acid","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C48 H56 N8 O16 -","4","1","LC5002","Scheins, Stephan; Dittrich, Birger; Messerschmidt, Marc; Luger, Peter; Paulmann, Carsten","Atomic volumes and charges in a system with a strong hydrogen bond: <small>L</small>-tryptophan formic acid","Acta Crystallographica Section B","2004","60","2","184","190","10.1107/S0108768104001739","","","0.54","Synchrotron","","","0.0223","","","","0.0234","","","","","","1.2389","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102508","7.3422","0.0004","12.9876","0.0007","13.9429","0.0008","90","","90","","90","","1329.56","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Di-μ-hydroxobis[cis-diammineplatinum(II)] bis(perchlorate)","","- Cl2 H14 N4 O10 Pt2 -","- Cl2 H12 N4 O10 Pt2 -","- Cl8 H48 N16 O40 Pt8 -","4","1","BM5007","Sakai, Ken; Konno, Yosuke; Takayama, Noboru; Takahashi, Satoru","First bent form for the hydroxo-bridged <i>cis</i>-diammineplatinum(II) dimer [Pt~2~(NH~3~)~4~(μ-OH)~2~](ClO~4~)~2~","Acta Crystallographica Section B","2004","60","3","255","262","10.1107/S0108768104004513","","","0.71073","MoKα","","0.0264","0.0238","","","0.0551","0.0562","","","","","","0.977","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2102567","18.1484","0.0009","21.1046","0.0009","23.4224","0.0014","90","","90","","90","","8971.1","0.8","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2',3,3',4,4'-Hexaacetato-6,6'-bis-O-(4-toluenesulfonyl)-α,α'-trehalose","","- C38 H46 O21 S2 -","- C38 H46 O21 S2 -","- C304 H368 O168 S16 -","8","2","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.1322","0.0596","","","0.1118","0.1364","","","","","","0.961","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102568","12.2281","0.0004","15.5803","0.0006","18.1066","0.0008","90","","90","","90","","3449.6","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2',3,3',4,4'-Hexaacetato-6,6'-diazido-α,α'-trehalose ethanol solvate","","- C24.7 H34.1 N6 O15.35 -","- C24.7 H34.1 N6 O15.35 -","- C98.8 H136.4 N24 O61.4 -","4","1","NA5016","Baddeley, Thomas C.; Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, James L.","Supramolecular structures of substituted α,α'-trehalose derivatives","Acta Crystallographica Section B","2004","60","4","461","471","10.1107/S0108768104010912","","","0.71073","MoKα","","0.1312","0.0704","","","0.1614","0.1909","","","","","","0.993","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102572","7.0966","0.0002","12.5908","0.0004","13.836","0.0006","90","","90","","90","","1236.27","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Iodo-N-(4-nitrobenzyl))aniline","","- C13 H11 I N2 O2 -","- C13 H11 I N2 O2 -","- C52 H44 I4 N8 O8 -","4","1","NA5018","Glidewell, Christopher; Low, John N.; Skakle, Janet M.S.; Wardell, Solange M. S. V.; Wardell, James L.","Isomeric iodo-<i>N</i>-(nitrobenzyl)anilines: interplay of hard and soft hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2004","60","4","472","480","10.1107/S0108768104012017","","","0.71073","MoKα","","0.042","0.0297","","","0.0469","0.0495","","","","","","1.013","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102576","9.9033","0.0005","11.5758","0.0004","17.1805","0.0009","90","","90","","90","","1969.55","0.16","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ZK91296","3-carboxyethoxy-5-benzyloxy-4-methoxymethyl-beta-carboline","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","1","NA5019","Ferretti, Valeria; Gilli, Paola; Borea, Pier Andrea","Structural features controlling the binding of β-carbolines to the benzodiazepine receptor","Acta Crystallographica Section B","2004","60","4","481","489","10.1107/S0108768104013564","","","0.7107","MoKα","","0.0785","0.0482","","","0.0974","0.1105","","","","","","1.04","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102617","7.6341","0.0003","12.5335","0.0006","16.3923","0.0007","90","","90","","90","","1568.45","0.12","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Isoleucyl-L-isoleucine dihydrate","","- C12 H28 N2 O5 -","- C12 H28 N2 O5 -","- C48 H112 N8 O20 -","4","1","DE5006","Görbitz, Carl Henrik","A crystallographic titration of the dipeptide <small>L</small>-isoleucyl-<small>L</small>-isoleucine","Acta Crystallographica Section B","2004","60","5","569","577","10.1107/S0108768104014569","","","0.71073","MoKα","","0.0333","0.0294","","","0.0782","0.0795","","","","","","1.048","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102680","10.0273","0.0007","13.3313","0.0009","16.8827","0.0012","90","","90","","90","","2256.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl Li N2 O10 -","- C18 H36 Cl Li N2 O10 -","- C72 H144 Cl4 Li4 N8 O40 -","4","1","AV5077","Guzei, Ilia A.; Lara C. Spencer","Low-temperature enantiotropic <i>k</i>2 phase transition in the ionic 222-cryptand complex with LiClO~4~","Acta Crystallographica Section B","2007","63","1","93","100","10.1107/S0108768106044831","","","0.71073","Mo-Kα","","0.0273","0.0263","","","0.071","0.0723","","","","","","1.068","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2102681","10.0791","0.0005","13.3799","0.0006","17.0272","0.0008","90","","90","","90","","2296.24","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl Li N2 O10 -","- C18 H36 Cl Li N2 O10 -","- C72 H144 Cl4 Li4 N8 O40 -","4","1","AV5077","Guzei, Ilia A.; Lara C. Spencer","Low-temperature enantiotropic <i>k</i>2 phase transition in the ionic 222-cryptand complex with LiClO~4~","Acta Crystallographica Section B","2007","63","1","93","100","10.1107/S0108768106044831","","","0.71073","Mo-Kα","","0.0318","0.0306","","","0.0871","0.089","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2102954","6.825","0.0014","9.042","0.0018","21.728","0.004","90","","90","","90","","1340.9","0.5","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-alanyl-L-prolyl-L-alanine hydrate","","","- C11 H21 N3 O5 -","- C11 H21 N3 O5 -","- C44 H84 N12 O20 -","4","1","SN5053","Kalinowski, Roman; Dittrich, Birger; Hübschle, Christian; Luger, Peter; Paulmann, Carsten","Experimental charge density of <small>L</small>-alanyl-<small>L</small>-prolyl-<small>L</small>-alanine hydrate: classical multipole and invariom approach, analysis of intra- and intermolecular topological properties","Acta Crystallographica Section B","2007","63","5","753","767","10.1107/S0108768107030388","","","0.56","Synchrotron","","0.0295","0.0208","","","","0.0134","","","","","","1.5428","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2102968","6.7448","0.0018","11.849","0.003","26.976","0.006","90","","90","","90","","2155.9","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C96 H124 N4 O12 -","4","1","BK5065","Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R.","Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes","Acta Crystallographica Section B","2007","63","6","933","940","10.1107/S0108768107051336","","","0.71073","MoKα","","0.0967","0.0624","","","0.1719","0.1941","","","","","","1.004","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2102969","6.7891","0.0012","11.852","0.002","26.822","0.005","90","","90","","90","","2158.2","0.7","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O3 -","- C24 H30.714 N O3 -","- C96 H122.856 N4 O12 -","4","1","BK5065","Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R.","Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes","Acta Crystallographica Section B","2007","63","6","933","940","10.1107/S0108768107051336","","","0.71073","MoKα","","0.122","0.0588","","","0.1466","0.1752","","","","","","0.906","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102970","6.832","0.0007","11.897","0.0015","26.609","0.003","90","","90","","90","","2162.8","0.4","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O3 -","- C24 H30.435 N O3 -","- C96 H121.74 N4 O12 -","4","1","BK5065","Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R.","Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes","Acta Crystallographica Section B","2007","63","6","933","940","10.1107/S0108768107051336","","","0.71073","MoKα","","0.1369","0.0668","","","0.1715","0.2029","","","","","","0.959","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102971","6.8632","0.0008","11.9445","0.0017","26.305","0.004","90","","90","","90","","2156.4","0.5","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O3 -","- C24 H30.274 N O3 -","- C96 H121.096 N4 O12 -","4","1","BK5065","Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R.","Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes","Acta Crystallographica Section B","2007","63","6","933","940","10.1107/S0108768107051336","","","0.71073","MoKα","","0.1407","0.0676","","","0.1804","0.212","","","","","","0.958","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2102972","6.8834","0.0007","12.0641","0.0015","25.924","0.003","90","","90","","90","","2152.8","0.4","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O3 -","- C24 H30 N O3 -","- C96 H120 N4 O12 -","4","1","BK5065","Turowska-Tyrk, Ilona; Bakowicz, Julia; Scheffer, John R.","Monitoring structural transformations in crystals. 11. Yang photocyclizations ‒ one type of reaction, but diversity of structural changes","Acta Crystallographica Section B","2007","63","6","933","940","10.1107/S0108768107051336","","","0.71073","MoKα","","0.1848","0.0609","","","0.1379","0.1808","","","","","","0.838","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2102976","6.4189","0.0003","6.852","0.0003","27.3451","0.0012","90","","90","","90","","1202.7","0.09","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-isonicotinoyl 4-fluorobenzaldehydehydrazone monohydrate","","- C13 H12 F N3 O2 -","- C13 H12 F N3 O2 -","- C52 H48 F4 N12 O8 -","4","1","BM5048","Wardell, Solange M. S. V.; de Souza, Marcus V. N.; Wardell, James L.; Low, John N.; Glidewell, Christopher","Supramolecular structures in <i>N</i>-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers","Acta Crystallographica Section B","2007","63","6","879","895","10.1107/S0108768107036270","","","0.71073","MoKα","","0.0438","0.034","","","0.0821","0.0877","","","","","","1.032","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103048","5.8708","0.0007","9.0974","0.001","19.396","0.002","90","","90","","90","","1035.9","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Br F O -","- C12 H8 Br F O -","- C48 H32 Br4 F4 O4 -","4","1","BK5067","Klösener, J.; Swenson, D. C.; Robertson, L. W.; Luthe, G.","Effects of fluoro substitution on 4-bromodiphenyl ether (PBDE 3)","Acta Crystallographica Section B","2008","64","1","108","119","10.1107/S0108768107067079","","","0.71073","MoKα","","0.0172","0.016","","","0.0378","0.0382","","","","","","1.033","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103116","7.8379","0.0002","13.4076","0.0003","14.0752","0.0004","90","","90","","90","","1479.13","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H12 Cl4 N5 P3 -","- C5 H12 Cl4 N5 P3 -","- C20 H48 Cl16 N20 P12 -","4","1","BM0049","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Uslu, Aylin","Structural investigations of phosphorus‒nitrogen compounds. 4. Steric and electronic effects in dibenzylamino derivatives of hexachlorocyclotriphosphazatriene and 4,4,6,6-tetrachloro-2,2-diphenylcyclotriphosphazatriene","Acta Crystallographica, Section B: Structural Science","2002","58","3","545","552","10.1107/S0108768102003816","","","0.71073","MoKα","","0.0305","0.0272","","","0.063","0.0647","","","","","","0.908","","","","has coordinates","203217","2020-10-21","18:00:00",""
"2103137","5.6595","0.0004","8.3306","0.0006","33.022","0.002","90","","90","","90","","1556.9","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Val-L-Phe dihydrate","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C56 H96 N8 O20 -","4","1","OS0088","Görbitz, Carl Henrik","b Turns, water cage formation and hydrogen bonding in the structures of L-Valyl-L-phenylalanine","Acta Crystallographica, Section B","2002","58","3","512","518","10.1107/S010876810200277X","","","0.71073","MoKα","","0.035","0.0302","","","0.0697","0.0715","","","","","","1.089","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103176","10.322","","17.864","","13.005","","90","","90.24","","90","","2398","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Ir N3 O4 -","- C27 Ir N3 O5 -","- C108 Ir4 N12 O20 -","4","1","BM0047","Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.","Some 60 new space-group corrections","Acta Crystallographica Section B","2002","58","1","62","77","10.1107/S0108768101017128","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103271","8.8886","0.0001","10.0973","0.0004","45.2601","0.0007","90","","90","","90","","4062.13","0.18","150","2","150","12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Diazabicyclo[2.2.2]octane‒(2R,3R)-tartaric acid (3/4)","","- C34 H60 N6 O24 -","- C34 H60 N6 O24 -","- C136 H240 N24 O96 -","4","1","NA0130","Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","Chiral <i>versus</i> racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines","Acta Crystallographica Section B","2002","58","2","272","288","10.1107/S0108768101019632","","","0.71073","MoKα","","0.0794","0.0412","","","0.0803","0.0929","","","","","","1.015","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103302","9.9644","0.0008","8.1854","0.0007","7.4422","0.0006","90","","90","","90","","607.01","0.09","110","0.2","110","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-oxatricyclo[5.1.0.0^1,3^]octane-4-one","","- C7 H8 O2 -","- C7 H8 O2 -","- C28 H32 O8 -","4","1","AN0591","Yufit, D. S.; Kozhushkov, S. I.; Howard, J. A. K.; de Meijere, A.","Crystal structure of 5-oxatricyclo[5.1.0.0^1,3^]octane-4-one: two polymorphs in one crystal","Acta Crystallographica Section B","2002","58","4","673","676","10.1107/S010876810200887X","","","0.71073","MoKα","","0.0416","0.0373","","","0.0868","0.089","","","","","","1.169","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103317","7.75","0.001","9.935","0.001","35.657","0.001","90","","90","","90","","2745.5","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ecdysone","2β,3β,14α,22R,25-pentahydroxy-5β-cholest-7-en-6-one","","- C27 H44 O6 -","- C27 H44 O6 -","- C108 H176 O24 -","4","1","DE0015","Fábián, László; Argay, Gyula; Kálmán, Alajos; Báthori, Mária","Crystal structures of ecdysteroids: the role of solvent molecules in hydrogen bonding and isostructurality","Acta Crystallographica Section B","2002","58","4","710","720","10.1107/S0108768102005608","","","1.5418","CuKα","","0.0632","0.0353","","","0.0972","0.1088","","","","","","0.735","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103318","7.663","0.001","10.541","0.001","33.084","0.002","90","","90","","90","","2672.4","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","20-hydroxyecdysone","2β,3β,14α,20R,22R,25-hexahydroxy-5β-cholest-7-en-6-one","","- C27 H44 O7 -","- C27 H44 O7 -","- C108 H176 O28 -","4","1","DE0015","Fábián, László; Argay, Gyula; Kálmán, Alajos; Báthori, Mária","Crystal structures of ecdysteroids: the role of solvent molecules in hydrogen bonding and isostructurality","Acta Crystallographica Section B","2002","58","4","710","720","10.1107/S0108768102005608","","","1.5418","CuKα","","0.0405","0.0363","","","0.1006","0.1036","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103319","7.167","0.001","9.703","0.001","41.412","0.004","90","","90","","90","","2879.8","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","20-hydroxyecdysone methanol solvate hydrate","2β,3β,14α,20R,22R,25-hexahydroxy-5β-cholest-7-en-6-one methanol solvate hydrate","","- C28 H50 O9 -","- C28 H50 O9 -","- C112 H200 O36 -","4","1","DE0015","Fábián, László; Argay, Gyula; Kálmán, Alajos; Báthori, Mária","Crystal structures of ecdysteroids: the role of solvent molecules in hydrogen bonding and isostructurality","Acta Crystallographica Section B","2002","58","4","710","720","10.1107/S0108768102005608","","","1.5418","CuKα","","0.0543","0.0382","","","0.1125","0.1213","","","","","","0.858","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103320","11.293","0.002","14.202","0.002","18.721","0.003","90","","90","","90","","3002.5","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","20-hydroxyecdysone trihydrate","2β,3β,14α,20R,22R,25-hexahydroxy-5β-cholest-7-en-6-one trihydrate","","- C27 H50 O10 -","- C27 H46 O10 -","- C108 H184 O40 -","4","1","DE0015","Fábián, László; Argay, Gyula; Kálmán, Alajos; Báthori, Mária","Crystal structures of ecdysteroids: the role of solvent molecules in hydrogen bonding and isostructurality","Acta Crystallographica Section B","2002","58","4","710","720","10.1107/S0108768102005608","","","0.71073","MOkα","","0.1056","0.0535","","","0.1281","0.1422","","","","","","0.92","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103321","7.163","0.001","10.303","0.001","37.254","0.002","90","","90","","90","","2749.4","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","polypodine B hydrate","2β,3β,5β,14α,20R,22R,25-heptahydroxy-5β-cholest-7-en-6-one hydrate","","- C27 H46 O9 -","- C27 H46 O9 -","- C108 H184 O36 -","4","1","DE0015","Fábián, László; Argay, Gyula; Kálmán, Alajos; Báthori, Mária","Crystal structures of ecdysteroids: the role of solvent molecules in hydrogen bonding and isostructurality","Acta Crystallographica Section B","2002","58","4","710","720","10.1107/S0108768102005608","","","1.5418","CuKα","","0.044","0.0362","","","0.1004","0.1042","","","","","","1.065","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103324","10.128","0.001","12.486","0.001","19.507","0.001","90","","90","","90","","2466.8","0.3","100","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N6 O7 -","- C22 H36 N6 O7 -","- C88 H144 N24 O28 -","4","1","LC0050","Dittrich, B.; Koritsánszky, T.; Grosche, M.; Scherer, W.; Flaig, R.; Wagner, A.; Krane, H. G.; Kessler, H.; Riemer, C.; Schreurs, A. M. M.; Luger, P.","Reproducability and transferability of topological properties; experimental charge density of the hexapeptide cyclo-(<small>D,L</small>-Pro)_2‒(<small>L</small>-Ala)_4 monohydrate","Acta Crystallographica Section B","2002","58","4","721","727","10.1107/S0108768102005839","","","0.5583","Synchrotron","","","0.0266","","","","0.0253","","","","","","1.4058","","","","has coordinates","192330","2020-10-21","18:00:00",""
"2103325","10.127","0.001","12.501","0.001","19.495","0.001","90","","90","","90","","2468","0.3","100","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N6 O7 -","- C22 H36 N6 O7 -","- C88 H144 N24 O28 -","4","1","LC0050","Dittrich, B.; Koritsánszky, T.; Grosche, M.; Scherer, W.; Flaig, R.; Wagner, A.; Krane, H. G.; Kessler, H.; Riemer, C.; Schreurs, A. M. M.; Luger, P.","Reproducability and transferability of topological properties; experimental charge density of the hexapeptide cyclo-(<small>D,L</small>-Pro)_2‒(<small>L</small>-Ala)_4 monohydrate","Acta Crystallographica Section B","2002","58","4","721","727","10.1107/S0108768102005839","","","0.7107","MoKα","","","0.0201","","","","0.0296","","","","","","1.6193","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103407","12.28593","0.00006","8.53351","0.00004","8.49385","0.00004","90","","90","","90","","890.513","0.007","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","?","- C40 H48 N8 -","- C40 H48 N8 -","","","BM0051","Nowell, Harriott; Attfield, J. Paul; Cole, Jason C.","The use of restraints in Rietveld refinement of molecular compounds; a case study using the crystal structure determination of tryptamine free base","Acta Crystallographica Section B","2002","58","5","835","840","10.1107/S0108768102011370","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103447","7.4741","0.0003","11.3487","0.0004","14.2039","0.0006","90","","90","","90","","1204.79","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Nitrobenzylidene-3'-iodoaniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","NA0138","Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.","Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","5","864","876","10.1107/S0108768102009941","","","0.71073","MoKα","","0.0662","0.0475","","","0.094","0.1003","","","","","","1.003","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103448","7.1179","0.0002","12.3905","0.0003","13.6983","0.0005","90","","90","","90","","1208.11","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Nitrobenzylidene-3'-iodoaniline","","- C13 H9 I N2 O2 -","- C13 H9 I N2 O2 -","- C52 H36 I4 N8 O8 -","4","1","NA0138","Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L.","Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions","Acta Crystallographica Section B","2002","58","5","864","876","10.1107/S0108768102009941","","","0.71073","MoKα","","0.0331","0.0288","","","0.0689","0.0783","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103467","7.2791","0.0009","14.6277","0.0018","18.303","0.002","90","","90","","90","","1948.8","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N3 O5 -","- C20 H27 N3 O5 -","- C80 H108 N12 O20 -","4","1","AN0622","Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.","The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors","Acta Crystallographica Section B","2002","58","6","1057","1066","10.1107/S0108768102015987","","","0.71073","MoKα","","0.0517","0.0462","","","0.0997","0.1028","","","","","","1.066","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2103487","4.0515","0.0002","10.1749","0.0007","17.6519","0.0009","90","","90","","90","","727.67","0.07","90","0.2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-thiocoumarin","2H-chromene-2-thione","","- C9 H6 O S -","- C9 H6 O S -","- C36 H24 O4 S4 -","4","1","LC0053","Munshi, Parthapratim; Guru Row, T. N.","Electron density study of 2<i>H</i>-chromene-2-thione","Acta Crystallographica Section B","2002","58","6","1011","1017","10.1107/S0108768102018712","","","0.71073","MoKα","","","0.0217","","","","0.0223","","","","","","1.8112","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103495","6.8465","0.001","6.9702","0.0007","24.248","0.004","90","","90","","90","","1157.2","0.3","122","0.5","122","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R-PEA)(S-LA)","R-1-Phenylethylammonium S-Lactate","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C44 H68 N4 O12 -","4","1","OS0096","Langkilde, Annette; Oddershede, Jette; Larsen, Sine","Diastereomeric salts of lactic acid and 1-phenylethylamine, their structures and relative stabilities","Acta Crystallographica Section B","2002","58","6","1044","1050","10.1107/S0108768102013824","","","1.5418","CuKα","","0.0285","0.0281","","","0.0758","0.0765","","","","","","1.029","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103548","9.4009","0.0005","13.3659","0.0008","13.6588","0.0008","90","","90","","90","","1716.25","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(trien)(L-pyro)](ClO4)","(L-pyroglutamicacidato)-(triethylenetetramine)-cobalt(III) perchlorate","","- C11 H23 Cl Co N5 O7 -","- C11 H23 Cl Co N5 O7 -","- C44 H92 Cl4 Co4 N20 O28 -","4","1","BM0032","Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan","Structures of three <i>cis</i>-β~1~ and three <i>cis</i>-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes","Acta Crystallographica Section B","2001","57","1","45","53","10.1107/S0108768100013896","","","0.71073","MoKα","","0.041","0.0366","","","","0.0943","","","","","","1.053","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103549","10.053","0.002","11.54","0.002","18.664","0.004","90","","90","","90","","2165.2","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(trien)(L-ile)]I2.H2O","(L-isoleucinato)-(triethylenetetramine)-cobalt(III) diiodide monohydrate","","- C12 H32 Co I2 N5 O3 -","- C12 H32 Co I2 N5 O3 -","- C48 H128 Co4 I8 N20 O12 -","4","1","BM0032","Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan","Structures of three <i>cis</i>-β~1~ and three <i>cis</i>-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes","Acta Crystallographica Section B","2001","57","1","45","53","10.1107/S0108768100013896","","","0.71073","MoKα","","0.0383","0.0318","","","","0.0776","","","","","","1.022","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2103550","11.5333","0.0011","13.3726","0.0014","15.0622","0.0015","90","","90","","90","","2323","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(trien)(L-ile)](ClO4)2(H2O)2","(L-isoleucinato)-(triethylenetetramine)-cobalt(III) diperchlorate dihydrate","","- C12 H34 Cl2 Co N5 O12 -","- C12 H34 Cl2 Co N5 O12 -","- C48 H136 Cl8 Co4 N20 O48 -","4","1","BM0032","Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan","Structures of three <i>cis</i>-β~1~ and three <i>cis</i>-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes","Acta Crystallographica Section B","2001","57","1","45","53","10.1107/S0108768100013896","","","0.71073","MoKα","","0.0664","0.0412","","","","0.0854","","","","","","0.896","","","","has coordinates","211413","2020-10-21","18:00:00",""
"2103551","8.7716","0.0008","12.6294","0.0015","21.413","0.004","90","","90","","90","","2372.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(trien)(L-leu)](ClO4)2(H2O)2","(L-leucinato)-(triethylenetetramine)-cobalt(III) diperchlorate dihydrate","","- C12 H34 Cl2 Co N5 O12 -","- C12 H34 Cl2 Co N5 O12 -","- C48 H136 Cl8 Co4 N20 O48 -","4","1","BM0032","Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan","Structures of three <i>cis</i>-β~1~ and three <i>cis</i>-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes","Acta Crystallographica Section B","2001","57","1","45","53","10.1107/S0108768100013896","","","0.71073","MoKα","","0.0451","0.0359","","","","0.1","","","","","","0.999","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2103564","10.1624","0.0015","10.5673","0.0017","6.749","0.003","90","","90","","90","","724.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H11 Cl N2 O2 -","- C4 H11 Cl N2 O2 -","- C16 H44 Cl4 N8 O8 -","4","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0471","0.0471","","","","0.121","","","","","","1.098","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103568","7.536","0.003","32.487","0.003","5.277","0.004","90","","90","","90","","1291.9","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H19 Cl2 N5 O2 -","- C6 H19 Cl2 N5 O2 -","- C24 H76 Cl8 N20 O8 -","4","1","OA0030","In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa","Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts","Acta Crystallographica Section B","2001","57","1","72","81","10.1107/S0108768100013975","","","1.5418","CuKα","","0.0563","0.055","","","","0.1724","","","","","","1.64","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103591","5.906","0.001","10.845","0.003","12.154","0.003","90","","90","","90","","778.5","0.3","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methyl-beta-D-arabinofuranoside","Methyl-beta-D-arabinofuranoside","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","AN0575","Evdokimov, Artem; Gilboa, A. Joseph; Koetzle, Thomas F.; Klooster, Wim T.; Schultz, Arthur J.; Mason, Sax A.; Albinati, Alberto; Frolow, Felix","Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides","Acta Crystallographica Section B","2001","57","2","213","220","10.1107/S010876810001661X","","","0.7107","MoKα","","0.0288","0.0273","","","","0.0764","","","","","","0.997","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103592","5.901","0.001","10.791","0.002","12.151","0.002","90","","90","","90","","773.7","0.2","20","0.1","20","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methyl-beta-D-arabinofuranoside","Methyl-beta-D-arabinofuranoside","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","AN0575","Evdokimov, Artem; Gilboa, A. Joseph; Koetzle, Thomas F.; Klooster, Wim T.; Schultz, Arthur J.; Mason, Sax A.; Albinati, Alberto; Frolow, Felix","Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides","Acta Crystallographica Section B","2001","57","2","213","220","10.1107/S010876810001661X","","neutron","","neutron","","0.129","0.1","","","","0.117","","","","","","1.096","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103594","10.332","0.003","15.446","0.002","4.614","0.001","90","","90","","90","","736.3","0.3","20","0.1","20","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl alpha-D lyxofuranoside","Methyl alpha-D lyxofuranoside","","- C6 H9.783 D2.217 O5 -","- C6 H9.783 D2.217 O5 -","- C24 H39.132 D8.868 O20 -","4","1","AN0575","Evdokimov, Artem; Gilboa, A. Joseph; Koetzle, Thomas F.; Klooster, Wim T.; Schultz, Arthur J.; Mason, Sax A.; Albinati, Alberto; Frolow, Felix","Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides","Acta Crystallographica Section B","2001","57","2","213","220","10.1107/S010876810001661X","","neutron","0.95284","neutron","","0.0449","0.0415","","","","0.0853","","","","","","1.228","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103667","8.7977","0.0008","10.752","0.001","20.177","0.002","90","","90","","90","","1908.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid mono(N-methylamide)","","- C19 H19 N O8 -","- C19 H19 N O8 -","- C76 H76 N4 O32 -","4","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","1.54178","CuKα","","0.0365","0.0275","","","","0.0755","","","","","","1.079","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103668","8.6699","0.0006","12.0105","0.0007","18.657","0.001","90","","90","","90","","1942.8","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid mono(N,N-dimethylamide)","","- C20 H19 N O7 -","- C20 H19 N O7 -","- C80 H76 N4 O28 -","4","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","0.71073","MoKα","","0.0605","0.0509","","","","0.1173","","","","","","1.129","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103669","8.9153","0.0006","11.758","0.001","17.976","0.001","90","","90","","90","","1884.4","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid N,N-dimethyldiamide","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C80 H80 N8 O24 -","4","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","0.71073","MoKα","","0.0871","0.049","","","","0.0992","","","","","","0.977","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103671","7.193","0.001","14.515","0.002","18.083","0.002","90","","90","","90","","1888","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-O,O'-Dibenzoyltartaric acid monoamide monomethylester","","- C19 H17 N O7 -","- C19 H17 N O7 -","- C76 H68 N4 O28 -","4","1","NA0118","Rychlewska, Urszula; Warżajtis, Beata","Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid","Acta Crystallographica Section B","2001","57","3","415","427","10.1107/S010876810100430X","","","0.71073","MoKα","","0.0465","0.0315","","","","0.0897","","","","","","1.045","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103675","14.636","0.008","21.637","0.01","23.45","0.03","90","","90","","90","","7426","11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Complex of (R)1,7-Dioxaspiro[5.5]undecane/ Hexakis(2,3,6-tri-O-methyl)-alpha-cyclodextrin","","","- C63 H119.65 O37.13 -","- C63 H121.66 O37.13 -","- C252 H486.64 O148.52 -","4","1","NS0005","Makedonopoulou, Stella; Yannakopoulou, Konstantina; Mentzafos, Demetrios; Lamzin, Victor; Popov, Alexander; Mavridis, Irene M.","Non-covalent interactions in the crystallization of the enantiomers of 1,7-dioxaspiro[5.5]undecane (olive fly sex pheromone) by enantiospecific cyclodextrin hosts, hexakis(2,3,6-tri-<i>O</i>-methyl)-α-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin","Acta Crystallographica Section B","2001","57","3","399","409","10.1107/S0108768101001963","","","0.55","","","0.0294","0.0289","","","","0.0823","","","","","","1.079","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103676","10.936","0.007","25.53","0.02","29.64","0.04","90","","90","","90","","8275","14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Complex of (S)1,7-Dioxaspiro[5.5]undecane/ Heptakis (2,3,6-tri-Omethyl)-beta-cyclodextrin","","","- C72 H129.14 O37.57 -","- C72 H137.39 O37.57 -","- C288 H549.56 O150.28 -","4","1","NS0005","Makedonopoulou, Stella; Yannakopoulou, Konstantina; Mentzafos, Demetrios; Lamzin, Victor; Popov, Alexander; Mavridis, Irene M.","Non-covalent interactions in the crystallization of the enantiomers of 1,7-dioxaspiro[5.5]undecane (olive fly sex pheromone) by enantiospecific cyclodextrin hosts, hexakis(2,3,6-tri-<i>O</i>-methyl)-α-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin","Acta Crystallographica Section B","2001","57","3","399","409","10.1107/S0108768101001963","","","0.65","","","0.0694","0.0624","","","","0.1831","","","","","","1.042","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2103704","11.4309","0.0012","11.6591","0.0006","30.701","0.003","90","","90","","90","","4091.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(R,S)-1-cyanoethyl](piperidine)bis(dimethylglyoximato)cobalt(III) initial","","- C16 H29 Co N6 O4 -","- C16 H29 Co N6 O4 -","- C128 H232 Co8 N48 O32 -","8","2","BS0016","Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes","Acta Crystallographica Section B","2001","57","4","551","559","10.1107/S0108768101006838","","","0.71073","MoKα","","0.0893","0.0837","","","","0.2523","","","","","","1.766","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2103705","11.4039","0.0002","11.7354","0.0002","30.7446","0.0001","90","","90","","90","","4114.53","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(R,S)-1-cyanoethyl](piperidine)bis(dimethylglyoximato)cobalt(III) irradiated","","- C16 H29 Co N6 O4 -","- C16 H29 Co N6 O4 -","- C128 H232 Co8 N48 O32 -","8","2","BS0016","Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes","Acta Crystallographica Section B","2001","57","4","551","559","10.1107/S0108768101006838","","","0.71073","MoKα","","0.0842","0.0454","","","","0.0966","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103706","11.4039","0.0002","11.7354","0.0001","30.7446","0.0002","90","","90","","90","","4114.53","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(R,S)-1-cyanoethyl](piperidine)bis(dimethylglyoximato)cobalt(III) irradiated","","- C16 H28 Co D N6 O4 -","- C16 H28 Co D N6 O4 -","- C128 H224 Co8 D8 N48 O32 -","8","2","BS0016","Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo","Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes","Acta Crystallographica Section B","2001","57","4","551","559","10.1107/S0108768101006838","","neutron","1.06","Neutron","","0.1043","0.1036","","","","0.268","","","","","","1.158","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103722","13.384","0.002","17.452","0.003","11.596","0.003","90","","90","","90","","2708.6","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H48 N2 O2 -","- C28 H48 N2 O2 -","- C112 H192 N8 O8 -","4","1","AN0583","Atencio, Reinaldo; Visbal, Gonzalo; Pekerar, Sara; Papale, Jham; Urbina, Julio A.","Studies of molecular structure parameters of 20-piperidin-2-yl-5α-pregnan-3β,20-diol and its <i>N</i>-methyl derivative: two inhibitors of Δ^24(25)^ sterol methyl transferase and Δ^24(24')^ sterol methyl reductase of <i>Trypanosoma cruzi</i>","Acta Crystallographica Section B","2001","57","5","714","721","10.1107/S0108768101013234","","","0.71069","MoKα","","0.1029","0.0549","","0.1831","","0.1408","","","0.959","","","1.003","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103746","8.335","0.001","8.856","0.001","19.522","0.002","90","","90","","90","","1441","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-histidine complexed with glutaric acid","","","- C44 H76 N12 O28 -","- C11 H19 N3 O7 -","- C44 H76 N12 O28 -","4","1","DE0013","Saraswathi, N. T.; Vijayan, M.","X-ray studies on crystalline complexes involving amino acids and peptides. XXXVIII. Crystal structures of the complexes of <small>L</small>-arginine and <small>L</small>-histidine with glutaric acid and a comparative study of amino acid‒glutaric acid complexes","Acta Crystallographica Section B","2001","57","6","842","849","10.1107/S0108768101013684","","","1.5418","CuKα","","0.0721","0.0549","","","","0.1444","","","","","","1.159","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103777","4.8177","0.0007","9.41","0.0012","26.719","0.003","90","","90","","90","","1211.3","0.3","110","1","110","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","benzoylmethyl phenyl sulfone","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C56 H48 O12 S4 -","4","1","OS0077","Wolf, W. M.","X-ray investigations of sulfur-containing fungicides. III. Intramolecular forces governing the conformation of a novel orthorhombic polymorph of benzoylmethyl phenyl sulfone, benzoylmethyl 4-chlorophenyl sulfone and benzoylphenylmethyl phenyl sulfone","Acta Crystallographica Section B","2001","57","6","806","814","10.1107/S0108768101016238","","","0.71073","MoKα","","0.041","0.0319","","","","0.0962","","","","","","1.226","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103788","12.148","0.002","8.251","0.002","21.69","0.002","90","","90","","90","","2174.1","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,1'-Dihydroxy-2,2'-(1,4,7,10-tetraoxadeca-1,10-diyl)-6,6'-(2,5-diazahexa-1,5- -diene-1,6-diyl)dibenzene","","- C22 N2 O6 -","- C22 N2 O6 -","- C88 N8 O24 -","4","1","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.7107","MoKα","","0.0195","0.0193","","","0.0699","0.0767","","","","","","0.631","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103789","12.148","0.002","8.251","0.002","21.69","0.002","90","","90","","90","","2174.1","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1$2!,8$2!-Dihydroxy-1,8(1,3)-dibenzena-1,6-diaza-9,12,15,18-tetraoxacyclooctade caphane-2,6-diene)","","- C22 H26 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.7107","MoKα","","0.0189","0.0185","","","0.0724","0.0805","","","","","","0.509","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2103790","6.6179","0.0007","12.924","0.002","35.545","0.005","90","","90","","90","","3040.2","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S!C$)-trans-bis(mu!2$-Chloro)-bis(N,N-dimethyl-1-(2-naphthyl)ethylamine-C,N)- -dipalladium(ii) monohydrate","","- C28 H34 Cl2 N2 O Pd2 -","- C28 H32 Cl2 N2 O Pd2 -","- C112 H128 Cl8 N8 O4 Pd8 -","4","1","AN0613","Clemente, Dore Augusto; Marzotto, Armando","22 Space-group changes","Acta Crystallographica Section B","2003","59","1","43","50","10.1107/S0108768102022668","","","0.7107","MoKα","","0.0073","0.0073","","","0.0415","0.0419","","","","","","0.357","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103828","15.387","0.005","22.673","0.008","24.381","0.004","90","","90","","90","","8506","4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C62 H104 Cl2 Co Li2 N14 O24 P -","- C62 H100 Cl2 Co Li2 N14 O24 P -","- C248 H400 Cl8 Co4 Li8 N56 O96 P4 -","4","1","NA0139","Garau, Gianpiero; Geremia, Silvano; Marzilli, Luigi G.; Nardin, Giorgio; Randaccio, Lucio; Tauzher, Giovanni","Crystal chemistry and binding of NO~2~, SCN and SeCN to Co in cobalamins","Acta Crystallographica Section B","2003","59","1","51","59","10.1107/S0108768102019353","","","0.8","synchrotron","","0.1211","0.1043","","","0.2873","0.306","","","","","","1.21","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103829","15.912","0.005","22.18","0.008","24.725","0.004","90","","90","","90","","8726","4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C62 H101.4 Cl Co N14 Na O22.7 P -","- C62 H99.4 Cl Co N14 Na O22.7 P -","- C248 H397.6 Cl4 Co4 N56 Na4 O90.8 P4 -","4","1","NA0139","Garau, Gianpiero; Geremia, Silvano; Marzilli, Luigi G.; Nardin, Giorgio; Randaccio, Lucio; Tauzher, Giovanni","Crystal chemistry and binding of NO~2~, SCN and SeCN to Co in cobalamins","Acta Crystallographica Section B","2003","59","1","51","59","10.1107/S0108768102019353","","","0.8","synchrotron","","0.1297","0.1207","","","0.3217","0.3363","","","","","","1.527","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2103830","15.683","0.015","22.61","0.02","25.1","0.03","90","","90","","90","","8900","16","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68.1 H116.2 Co N14 O24.7 P S -","- C68.1 H108 Co N14 O24.7 P S -","- C272.4 H432 Co4 N56 O98.8 P4 S4 -","4","1","NA0139","Garau, Gianpiero; Geremia, Silvano; Marzilli, Luigi G.; Nardin, Giorgio; Randaccio, Lucio; Tauzher, Giovanni","Crystal chemistry and binding of NO~2~, SCN and SeCN to Co in cobalamins","Acta Crystallographica Section B","2003","59","1","51","59","10.1107/S0108768102019353","","","0.71","synchrotron","","0.0762","0.0714","","","0.1976","0.2035","","","","","","1.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2103831","15.66","0.015","22.7","0.03","24.96","0.03","90","","90","","90","","8873","18","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H116 Co N14 O26 P Se -","- C66 H110 Co N14 O26 P Se -","- C264 H440 Co4 N56 O104 P4 Se4 -","4","1","NA0139","Garau, Gianpiero; Geremia, Silvano; Marzilli, Luigi G.; Nardin, Giorgio; Randaccio, Lucio; Tauzher, Giovanni","Crystal chemistry and binding of NO~2~, SCN and SeCN to Co in cobalamins","Acta Crystallographica Section B","2003","59","1","51","59","10.1107/S0108768102019353","","","0.71","synchrotron","","0.0967","0.0876","","","0.2467","0.2563","","","","","","1.037","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103846","7.031","0.0003","11.252","0.0005","21.8177","0.0012","90","","90","","90","","1726.06","0.14","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,3S)-Camphoric acid‒1,4-diazabicyclo[2.2.2]octane‒water (1/1/1)","","- C16 H30 N2 O5 -","- C16 H30 N2 O5 -","- C64 H120 N8 O20 -","4","1","NA0144","Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher","(1<i>R</i>,3<i>S</i>)-Camphoric acid as a building block in supramolecular chemistry: adducts with organic polyamines","Acta Crystallographica Section B","2003","59","1","118","131","10.1107/S0108768102022358","","","0.71073","MoKα","","0.0681","0.0503","","","0.1265","0.1386","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2103868","7.1122","0.0002","7.3873","0.0002","23.3867","0.0007","90","","90","","90","","1228.74","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Amino-6-benzyloxy-4-(N-methylamino)-5-nitrosopyrimidine","","- C12 H13 N5 O2 -","- C12 H13 N5 O2 -","- C48 H52 N20 O8 -","4","1","NA0145","Melguizo, Manuel; Quesada, Antonio; Low, John N.; Glidewell, Christopher","Supramolecular structures of <i>N</i>^4^-substituted 2,4-diamino-6-benzyloxy-5-nitrosopyrimidines","Acta Crystallographica Section B","2003","59","2","263","276","10.1107/S0108768103002477","","","0.71073","MoKα","","0.0567","0.0392","","","0.0843","0.0902","","","","","","1.091","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2103961","8.266","0.0004","8.8977","0.0004","8.9116","0.0004","90","","90","","90","","655.43","0.05","122.4","0.4","122","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","BS5000","Madsen, Anders Østergaard; Mason, Sax; Larsen, Sine","A neutron diffraction study of xylitol: derivation of mean square internal vibrations for H atoms from a rigid-body description","Acta Crystallographica Section B","2003","59","5","653","663","10.1107/S010876810301557X","","neutron","0.8395","neutron","","0.0531","","","","","0.054","","","","","","1.4731","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104049","4.991","0.0001","8.7145","0.0002","28.0411","0.0007","90","","90","","90","","1219.62","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Acetyl-L-phenylalanine methyl ester","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","BM5052","Janik, Alicja; Jarocha, Monika; Stadnicka, Katarzyna","Pseudopolymorphism of <i>N</i>-acetyl-<small>L</small>-phenylalanine methyl ester","Acta Crystallographica Section B","2008","64","2","223","229","10.1107/S010876810800219X","","","0.71073","MoKα","","0.0752","0.0419","","","0.0986","0.1161","","","","","","0.982","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104050","4.9488","0.0002","8.6359","0.0006","27.6622","0.001","90","","90","","90","","1182.21","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Acetyl-L-phenylalanine methyl ester","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","BM5052","Janik, Alicja; Jarocha, Monika; Stadnicka, Katarzyna","Pseudopolymorphism of <i>N</i>-acetyl-<small>L</small>-phenylalanine methyl ester","Acta Crystallographica Section B","2008","64","2","223","229","10.1107/S010876810800219X","","","0.71073","MoKα","","0.0506","0.0385","","","0.0908","0.0959","","","","","","1.036","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104079","5.6212","0.0006","25.714","0.002","13.561","0.002","90","","90","","90","","1960.2","0.4","175","","175","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3S,5S)-2,3,5-triphenyl-[1,4,2]-oxazaphosphorinane 2-oxide","","- C21 H20 N O2 P -","- C21 H20 N O2 P -","- C84 H80 N4 O8 P4 -","4","1","GP5020","van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.","Structure-directing weak phosphoryl <i>X</i>H···O=P (<i>X</i> = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes","Acta Crystallographica Section B","2008","64","2","196","205","10.1107/S0108768107061770","","","0.71073","MoKα","","0.3612","0.1305","","0.1825","0.1191","0.1191","","","","","","1.004","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104080","5.3914","0.0002","11.7559","0.0004","21.6032","0.0008","90","","90","","90","","1369.23","0.09","175","","175","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,3S,5S)-3,5-diphenyl-[1,4,2]-oxazaphosphorinane 2-oxide.","","- C15 H16 N O2 P -","- C15 H16 N O2 P -","- C60 H64 N4 O8 P4 -","4","1","GP5020","van der Lee, A.; Rolland, M.; Marat, X.; Virieux, D.; Volle, J.-N.; Pirat, J.-L.","Structure-directing weak phosphoryl <i>X</i>H···O=P (<i>X</i> = C, N) hydrogen bonds in cyclic oxazaphospholidines and oxazaphosphinanes","Acta Crystallographica Section B","2008","64","2","196","205","10.1107/S0108768107061770","","","0.71073","MoKα","","0.109","0.0275","","0.044","0.0293","0.0293","","","","","","1.1073","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104143","4.8462","0.0019","13.901","0.006","16.316","0.007","90","","90","","90","","1099.2","0.8","20","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Thymidine","","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C40 H56 N8 O20 -","4","1","SN5064","Hübschle, Christian B.; Dittrich, Birger; Grabowsky, Simon; Messerschmidt, Marc; Luger, Peter","Comparative experimental electron density and electron localization function study of thymidine based on 20K X-ray diffraction data","Acta Crystallographica Section B","2008","64","3","363","374","10.1107/S0108768108005776","","","0.7107","MoKα","","0.019","0.016","","","","0.019","","","","","","0.936","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104155","7.35565","0.00017","8.15934","0.00011","4.53932","0.00011","90","","90","","90","","272.437","0.01","5","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","germane","perdeuterogermane","","- D4 Ge -","- D4 Ge -","- D16 Ge4 -","4","1","WS5063","Maley, Iain J.; Brown, Daniel H.; Ibberson, Richard M.; Pulham, Colin R.","Solid-state structures of the covalent hydrides germane and stannane","Acta Crystallographica Section B","2008","64","3","312","317","10.1107/S0108768108010379","","neutron","","time-of-flightneutron","","","","","","","","","","1.6","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104159","16.023","0.003","7.7678","0.0018","5.1004","0.0013","90","","90","","90","","634.8","0.2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","BM5054","Lozano-Casal, P.; Allan, D. R.; Parsons, S.","High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa","Acta Crystallographica Section B","2008","64","4","466","475","10.1107/S010876810801793X","","","0.71073","MoKα","","0.1548","0.1045","","0.2631","0.2355","0.2631","","","","","","1.0463","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104160","15.992","0.002","7.7558","0.0012","5.0941","0.0009","90","","90","","90","","631.83","0.17","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","BM5054","Lozano-Casal, P.; Allan, D. R.; Parsons, S.","High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa","Acta Crystallographica Section B","2008","64","4","466","475","10.1107/S010876810801793X","","","0.71073","MoKα","","0.1843","0.1483","","0.284","0.2568","0.284","","","","","","1.1595","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104161","15.879","0.006","7.705","0.003","5.084","0.002","90","","90","","90","","622","0.4","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","BM5054","Lozano-Casal, P.; Allan, D. R.; Parsons, S.","High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa","Acta Crystallographica Section B","2008","64","4","466","475","10.1107/S010876810801793X","","","0.71073","MoKα","","0.1827","0.1147","","0.2489","0.2115","0.2489","","","","","","1.0373","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104162","15.679","0.011","7.628","0.006","5.023","0.005","90","","90","","90","","600.7","0.9","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","BM5054","Lozano-Casal, P.; Allan, D. R.; Parsons, S.","High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa","Acta Crystallographica Section B","2008","64","4","466","475","10.1107/S010876810801793X","","","0.71073","MoKα","","0.1541","0.1073","","0.2431","0.2232","0.2431","","","","","","1.0409","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104163","15.45","0.008","7.55","0.006","4.972","0.005","90","","90","","90","","580","0.8","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","BM5054","Lozano-Casal, P.; Allan, D. R.; Parsons, S.","High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa","Acta Crystallographica Section B","2008","64","4","466","475","10.1107/S010876810801793X","","","0.71073","MoKα","","0.1119","0.0773","","0.1776","0.1639","0.1776","","","","","","1.0206","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104164","15.328","0.007","7.497","0.005","4.941","0.004","90","","90","","90","","567.8","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","BM5054","Lozano-Casal, P.; Allan, D. R.; Parsons, S.","High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa","Acta Crystallographica Section B","2008","64","4","466","475","10.1107/S010876810801793X","","","0.71073","MoKα","","0.1362","0.0909","","0.1881","0.181","0.1881","","","","","","1.093","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104165","15.191","0.008","7.455","0.005","4.882","0.004","90","","90","","90","","552.9","0.7","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","BM5054","Lozano-Casal, P.; Allan, D. R.; Parsons, S.","High-pressure structural study of <small>L</small>-α-glutamine and the use of Hirshfeld surfaces and graph-set notation to investigate the hydrogen bonding present in the structure up to 4.9GPa","Acta Crystallographica Section B","2008","64","4","466","475","10.1107/S010876810801793X","","","0.71073","MoKα","","0.1658","0.1143","","0.1827","0.1707","0.1827","","","","","","1.0975","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104169","8.6112","0.0003","9.8185","0.0003","11.7898","0.0003","90","","90","","90","","996.82","0.05","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N2 O4 -","- C8 H8 N2 O4 -","- C32 H32 N8 O16 -","4","1","BS5062","Rychlewska, Urszula; Waścinska, Natalia; Warżajtis, Beata; Gawroński, Jacek","Role of the <i>gauche</i> effect and local 1,3-dipole‒dipole interactions in stabilizing an unusual conformation of tartarodinitriles","Acta Crystallographica Section B","2008","64","4","497","503","10.1107/S0108768108018272","","","0.71073","MoKα","","0.0394","0.0346","","","0.0927","0.0989","","","","","","1.061","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104271","5.4315","0.0001","9.8019","0.0001","17.3505","0.0002","90","","90","","90","","923.72","0.02","100","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H15 Cl N2 O3 -","- C6 H15 Cl N2 O3 -","- C24 H60 Cl4 N8 O12 -","4","1","WS5058","Dittrich, B.; McKinnon, J. J.; Warren, J. E.","Improvement of anisotropic displacement parameters from invariom-model refinements for three <small>L</small>-hydroxylysine structures","Acta Crystallographica Section B","2008","64","6","750","759","10.1107/S0108768108032163","","","0.475","synchrotron","","0.0367","0.0308","","","","0.0337","","","","","","1.9004","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2104354","7.553","0.0009","13.5745","0.0016","19.154","0.002","90","","90","","90","","1963.8","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hantzsch 1,4-dihydropyridine ester","diethyl-2,6-dimethyl-1,4-dihydro-4-(4-hydroxy-3-methoxyphenyl)- 3,5-pyridine dicarboxylate","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","EB5001","Rathore, R. S.; Reddy, B. Palakshi; Vijayakumar, V.; Ragavan, R. Venkat; Narasimhamurthy, T.","Hantzsch 1,4-dihydropyridine esters and analogs: candidates for generating reproducible one-dimensional packing motifs","Acta Crystallographica Section B","2009","65","3","375","381","10.1107/S0108768109004832","","","0.71073","MoKα","","0.136","0.0679","","","0.1661","0.222","","","","","","1.035","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104403","8.2424","0.0004","5.3111","0.0003","20.9044","0.0012","90","","90","","90","","915.12","0.09","300","2","300","2","","","","","","","","4","P 21 21 21","P_2n_2a","","benzocaine","ethyl 4-aminobenzoate","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","1","SO5027","Chan, Eric J.; Rae, A. David; Welberry, T. Richard","On the polymorphism of benzocaine; a low-temperature structural phase transition for form (II)","Acta Crystallographica Section B","2009","65","4","509","515","10.1107/S0108768109018898","","","0.71069","MoKα","","0.0495","0.0392","","","0.1035","0.1122","","","","","","1.059","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104410","6.86744","0.00003","8.75087","0.00004","7.26091","0.00003","90","","90","","90","","436.352","0.003","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Strontium diformate","Strontium diformate","","- C2 H2 O4 Sr -","- C2 H2 O4 Sr -","- C8 H8 O16 Sr4 -","4","1","ZB5005","Ståhl, Kenny; Andersen, Jens E. T.; Shim, Irene; Christgau, Stephan","Structures of strontium diformate and strontium fumarate. A synchrotron powder diffraction study","Acta Crystallographica Section B","2009","65","4","481","487","10.1107/S0108768109023489","powder diffraction","","1.28406","synchrotron","","","","","","","","","","5.43","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104558","8.0791","0.0018","15.672","0.003","36.082","0.008","90","","90","","90","","4568.5","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-Binaphthyl-Tf2,OH","(R)-2-(bis(Trifluoromethanesulfonato)methyl)-2'-hydroxy-1,1'-binaphthalene","","- C23 H14 F6 O5 S2 -","- C23 H14 F6 O5 S2 -","- C184 H112 F48 O40 S16 -","8","2","BK5088","Marsh, Richard E.","Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?","Acta Crystallographica Section B","2009","65","6","782","783","10.1107/S0108768109046448","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104626","26.657","0.006","5.0938","0.0016","8.9941","0.0018","90","","90","","90","","1221.3","0.5","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5033","Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.","A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form","Acta Crystallographica Section B","2009","65","6","770","781","10.1107/S010876810903290X","","","0.71073","MoKα","","0.0641","0.0407","","","0.1001","0.1361","","","","","","1.061","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104627","26.675","0.005","5.1438","0.0014","9.037","0.0016","90","","90","","90","","1240","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5033","Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.","A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form","Acta Crystallographica Section B","2009","65","6","770","781","10.1107/S010876810903290X","","","0.71073","MoKα","","0.0621","0.0393","","","0.0764","0.092","","","","","","1.105","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104628","26.673","0.006","5.2296","0.0019","9.088","0.002","90","","90","","90","","1267.7","0.6","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5033","Drebushchak, Tatiana N.; Chesalov, Yury A.; Boldyreva, Elena V.","A conformational polymorphic transition in the high-temperature ε-form of chlorpropamide on cooling: a new ε'-form","Acta Crystallographica Section B","2009","65","6","770","781","10.1107/S010876810903290X","","","0.71073","MoKα","","0.0906","0.0512","","","0.093","0.1163","","","","","","1.13","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104638","7.488","0.001","13.934","0.001","14.275","0.001","90","","90","","90","","1489.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","bergenin","","","- C14 H18 O10 -","- C14 H18 O10 -","- C56 H72 O40 -","4","1","SN5088","Dittrich, Birger; Weber, Manuela; Kalinowski, Roman; Grabowsky, Simon; Hübschle, Christian B.; Luger, Peter","How to easily replace the independent atom model ‒ the example of bergenin, a potential anti-HIV agent of traditional Asian medicine","Acta Crystallographica Section B","2009","65","6","749","756","10.1107/S0108768109046060","","","1.54178","CuKα","","0.015","0.013","","","","0.026","","","","","","1.867","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104650","6.9233","0.0002","19.0222","0.0005","5.303","0.0002","90","","90","","90","","698.39","0.04","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.71073","MoKα","","0.0324","0.032","","0.0439","0.0437","0.0439","","","","","","1.2012","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104651","6.8922","0.0002","19.0021","0.0019","5.2919","0.0002","90","","90","","90","","693.06","0.08","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4769","synchrotron","","0.0408","0.0305","","0.0358","0.0342","0.0342","","","","","","1.0431","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104652","6.7622","0.0002","18.7945","0.0019","5.2343","0.0002","90","","90","","90","","665.24","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4769","synchrotron","","0.0509","0.0288","","0.0326","0.029","0.029","","","","","","0.9038","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104653","6.6284","0.0003","18.508","0.003","5.1615","0.0003","90","","90","","90","","633.2","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4769","synchrotron","","0.0403","0.0333","","0.0356","0.03","0.03","","","","","","0.8308","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104654","6.549","0.0003","18.259","0.003","5.1169","0.0003","90","","90","","90","","611.87","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4769","synchrotron","","0.0504","0.0325","","0.0333","0.0278","0.0278","","","","","","1.0501","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104655","6.4955","0.0004","18","0.004","5.093","0.0004","90","","90","","90","","595.47","0.15","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","","synchrotron","","0.0614","0.0434","","0.0591","0.0444","0.0444","","","","","","0.9179","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104656","6.4885","0.0014","17.834","0.007","5.0983","0.0013","90","","90","","90","","590","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Cysteic acid monohydrate","","","- C3 H9 N O6 S -","- C3 H9 N O6 S -","- C12 H36 N4 O24 S4 -","4","1","WS5073","Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E.","Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition","Acta Crystallographica Section B","2009","65","6","731","748","10.1107/S0108768109039469","","","0.4769","synchrotron","","0.1079","0.0778","","0.1457","0.0931","0.0931","","","","","","0.9157","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104779","5.1744","0.0006","9.3697","0.0013","13.919","0.003","90","","90","","90","","674.83","0.19","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PHS","pyrazinium hydrogensulphate","","- C4 H6 N2 O4 S -","- C4 H6 N2 O4 S -","- C16 H24 N8 O16 S4 -","4","1","EB5006","Budzianowski, Armand; Derzsi, Mariana; Leszczyński, Piotr J.; Cyrański, Michał K.; Grochala, Wojciech","Structural polymorphism of pyrazinium hydrogen sulfate: extending chemistry of the pyrazinium salts with small anions","Acta Crystallographica Section B","2010","66","4","451","457","10.1107/S0108768110019580","","","0.71073","MoKα","","0.0232","0.0212","","","0.0572","0.0578","","","","","","1.046","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104780","5.1748","0.0005","9.429","0.0011","13.9135","0.0015","90","","90","","90","","678.88","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PHS","pyrazinium hydrogensulphate","","- C4 H6 N2 O4 S -","- C4 H6 N2 O4 S -","- C16 H24 N8 O16 S4 -","4","1","EB5006","Budzianowski, Armand; Derzsi, Mariana; Leszczyński, Piotr J.; Cyrański, Michał K.; Grochala, Wojciech","Structural polymorphism of pyrazinium hydrogen sulfate: extending chemistry of the pyrazinium salts with small anions","Acta Crystallographica Section B","2010","66","4","451","457","10.1107/S0108768110019580","","","0.71073","MoKα","","0.0323","0.0272","","","0.0629","0.0645","","","","","","1.029","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2104782","5.7952","0.0006","5.933","0.008","12.362","0.003","90","","90","","90","","425","0.6","293","2","293","2","200000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-alanine","(S)-2-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5038","Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.","Pressure-induced phase transitions in <small>L</small>-alanine, revisited","Acta Crystallographica Section B","2010","66","4","458","471","10.1107/S010876811001983X","","","0.71073","MoKα","","0.0621","0.0358","","","0.0803","0.0858","","","","","","0.871","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104783","5.7464","0.0005","5.834","0.005","12.26","0.002","90","","90","","90","","411","0.4","293","2","293","2","800000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-alanine","(S)-2-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5038","Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.","Pressure-induced phase transitions in <small>L</small>-alanine, revisited","Acta Crystallographica Section B","2010","66","4","458","471","10.1107/S010876811001983X","","","0.71073","MoKα","","0.0581","0.0353","","","0.0743","0.0789","","","","","","0.898","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104784","5.6999","0.0014","5.772","0.007","12.161","0.006","90","","90","","90","","400.1","0.5","293","2","293","2","1500000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-alanine","(S)-2-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5038","Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.","Pressure-induced phase transitions in <small>L</small>-alanine, revisited","Acta Crystallographica Section B","2010","66","4","458","471","10.1107/S010876811001983X","","","0.71073","MoKα","","0.1162","0.0442","","","0.0853","0.094","","","","","","0.81","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104785","5.6729","0.0007","5.671","0.002","12.047","0.005","90","","90","","90","","387.6","0.2","293","2","293","2","2200000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-alanine","(S)-2-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5038","Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.","Pressure-induced phase transitions in <small>L</small>-alanine, revisited","Acta Crystallographica Section B","2010","66","4","458","471","10.1107/S010876811001983X","","","0.71073","MoKα","","0.077","0.0354","","","0.0781","0.0848","","","","","","0.861","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104786","5.6254","0.0009","5.573","0.003","11.942","0.006","90","","90","","90","","374.4","0.3","293","2","293","2","2900000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-alanine","(S)-2-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5038","Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.","Pressure-induced phase transitions in <small>L</small>-alanine, revisited","Acta Crystallographica Section B","2010","66","4","458","471","10.1107/S010876811001983X","","","0.71073","MoKα","","0.0866","0.0525","","","0.1075","0.1144","","","","","","0.901","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104787","5.6084","0.0007","5.552","0.002","11.857","0.004","90","","90","","90","","369.2","0.19","293","2","293","2","3500000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-alanine","(S)-2-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5038","Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.","Pressure-induced phase transitions in <small>L</small>-alanine, revisited","Acta Crystallographica Section B","2010","66","4","458","471","10.1107/S010876811001983X","","","0.71073","MoKα","","0.0855","0.0457","","","0.1011","0.1074","","","","","","0.89","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104788","5.6083","0.0005","5.5139","0.0014","11.815","0.003","90","","90","","90","","365.36","0.14","293","2","293","2","3900000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-alanine","2-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5038","Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.","Pressure-induced phase transitions in <small>L</small>-alanine, revisited","Acta Crystallographica Section B","2010","66","4","458","471","10.1107/S010876811001983X","","","0.71073","MoKα","","0.0681","0.0402","","","0.0803","0.0848","","","","","","0.944","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104789","5.5845","0.0005","5.4749","0.0019","11.721","0.003","90","","90","","90","","358.36","0.16","293","2","293","2","4700000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-alanine","2-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5038","Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.","Pressure-induced phase transitions in <small>L</small>-alanine, revisited","Acta Crystallographica Section B","2010","66","4","458","471","10.1107/S010876811001983X","","","0.71073","MoKα","","0.0573","0.0342","","","0.0597","0.0634","","","","","","0.887","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104790","5.5441","0.0004","5.4007","0.0012","11.587","0.002","90","","90","","90","","346.94","0.1","293","2","293","2","5900000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-alanine","2-Aminopropanoic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","GP5038","Tumanov, N. A.; Boldyreva, E. V.; Kolesov, B. A.; Kurnosov, A. V.; Quesada Cabrera, R.","Pressure-induced phase transitions in <small>L</small>-alanine, revisited","Acta Crystallographica Section B","2010","66","4","458","471","10.1107/S010876811001983X","","","0.71073","MoKα","","0.0481","0.0312","","","0.0628","0.0655","","","","","","0.935","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104843","8.9705","0.0001","14.4208","0.0001","14.8689","0.0002","90","","90","","90","","1923.47","0.04","80","2","80","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dibenzylammonium 3-azidebenzoate","Dibenzylammonium 3-azidebenzoate","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C84 H80 N16 O8 -","4","1","OG5043","Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation","Acta Crystallographica Section B","2010","66","6","647","661","10.1107/S010876811003661X","","","0.71073","MoKα","","0.0331","0.0297","","","0.0791","0.0806","","","","","","1.166","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2104848","8.9378","0.0002","14.5133","0.0003","14.9386","0.0003","90","","90","","90","","1937.79","0.07","80","2","82","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dibenzylammonium 3-azidebenzoate","Dibenzylammonium 3-azidebenzoate","","- C21 H20 N4 O2 -","- C21 H20 N4 O2 -","- C84 H80 N16 O8 -","4","1","OG5043","Mitsumori, Takahiro; Sekine, Akiko; Uekusa, Hidehiro; Ohashi, Yuji","Direct observation of various reaction pathways of arylnitrenes in different crystal environments caused by acid‒base complex formation","Acta Crystallographica Section B","2010","66","6","647","661","10.1107/S010876811003661X","","","0.71073","MoKα","","0.0741","0.0585","","","0.1688","0.1812","","","","","","1.056","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104855","10.1348","0.0004","10.9014","0.0003","12.1599","0.0004","90","","90","","90","","1343.47","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","SO5040","Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald","Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives","Acta Crystallographica Section B","2010","66","6","662","677","10.1107/S0108768110040243","","","0.71073","MoKα","","0.0479","0.0355","","","0.0795","0.0848","","","","","","1.047","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104856","10.149","0.0005","10.939","0.001","12.31","0.001","90","","90","","90","","1366.66","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","SO5040","Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald","Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives","Acta Crystallographica Section B","2010","66","6","662","677","10.1107/S0108768110040243","","","0.71069","MoKα","","0.047","0.0346","","","0.0946","0.1011","","","","","","1.069","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104876","8.5217","0.0001","25.0552","0.0003","13.4521","0.0002","90","","90","","90","","2872.2","0.06","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 N4 O5 -","- C30 H38 N4 O5 -","- C120 H152 N16 O20 -","4","1","SO5040","Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald","Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives","Acta Crystallographica Section B","2010","66","6","662","677","10.1107/S0108768110040243","","","0.71073","MoKα","","0.0449","0.0347","","","0.0873","0.0931","","","","","","1.045","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104879","10.053","0.0003","10.8372","0.0002","13.3352","0.0005","90","","90","","90","","1452.82","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","SO5040","Budesinsky, Milos; Cisarova, Ivana; Podlaha, Jaroslav; Borremans, Frans; Martins, José C.; Waroquier, Michel; Pauwels, Ewald","Structures of cyclic dipeptides: an X-ray and computational study of <i>cis</i>- and <i>trans</i>-<i>cyclo</i>(Pip-Phe), <i>cyclo</i>(Pro-Phe) and their <i>N</i>-methyl derivatives","Acta Crystallographica Section B","2010","66","6","662","677","10.1107/S0108768110040243","","","0.71073","MoKα","","0.0413","0.0345","","","0.0792","0.0836","","","","","","1.063","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2104942","7.3918","0.0002","22.0135","0.0007","19.3938","0.0005","90","","90","","90","","3155.75","0.15","275","2","275","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H40 Cd3 Cl10 N4 -","- C12 H40 Cd3 Cl10 N4 -","- C48 H160 Cd12 Cl40 N16 -","4","1","KD5047","Gagor, Anna; Waśkowska, Alicja; Czapla, Zbigniew; Dacko, Slawomir","Structural phase transitions in tetra(isopropylammonium) decachlorotricadmate(II), [(CH~3~)~2~CHNH~3~]~4~Cd~3~Cl~10~, crystal with a two-dimensional cadmium(II) halide network","Acta Crystallographica Section B","2011","67","2","122","129","10.1107/S0108768110054583","","","0.71073","MoKα","","0.0434","0.0283","","","0.0448","0.0473","","","","","","0.825","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105045","7.875","0.002","9.892","0.002","18.843","0.004","90","","90","","90","","1467.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S)-3-hydroxy-2,3-diphenyl-2,3-dihydro-pyrrolo[3,4-c]pyridine-1-one","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","1","SN5107","Checińska, Lilianna; Grabowsky, Simon; Małecka, Magdalena; Rybarczyk-Pirek, Agnieszka J.; Jóźwiak, Andrzej; Paulmann, Carsten; Luger, Peter","Experimental and theoretical electron-density study of three isoindole derivatives: topological and Hirshfeld surface analysis of weak intermolecular interactions","Acta Crystallographica Section B","2011","67","6","569","581","10.1107/S0108768111041747","","","0.6","synchrotron","","0.019","0.018","","","","0.033","0.039","","","","","2.529","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105059","11.6411","0.0001","7.5666","","7.4771","","90","","90","","90","","658.609","0.006","298","","298","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Antimony (III) trioxide","","- O3 Sb2 -","- O3 Sb2 -","- O24 Sb16 -","8","2","KD5053","Orosel, Denis; Dinnebier, Robert E.; Blatov, Vladislav A.; Jansen, Martin","Structure of a new high-pressure‒high-temperature modification of antimony(III) oxide, γ-Sb~2~O~3~, from high-resolution synchrotron powder diffraction data","Acta Crystallographica Section B","2012","68","1","1","7","10.1107/S0108768111046751","powder diffraction","","0.24804","Synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105104","5.59","0.002","8.569","0.013","9.233","0.007","90","","90","","90","","442.3","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1434","0.0636","","","0.1029","0.1283","","","","","","0.98","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105105","5.603","0.003","8.577","0.015","9.231","0.008","90","","90","","90","","443.6","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1465","0.0617","","","0.1013","0.1246","","","","","","1.008","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105106","5.5885","0.0014","8.542","0.009","9.146","0.004","90","","90","","90","","436.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1472","0.061","","","0.119","0.1521","","","","","","0.97","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105107","5.5741","0.0017","8.436","0.009","9.088","0.005","90","","90","","90","","427.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1421","0.0649","","","0.1251","0.1541","","","","","","1.011","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105108","5.5668","0.0017","8.463","0.01","9.072","0.005","90","","90","","90","","427.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1366","0.0594","","","0.1108","0.1377","","","","","","0.978","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105109","5.514","0.002","8.396","0.011","8.868","0.006","90","","90","","90","","410.5","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.126","0.0529","","","0.0903","0.1116","","","","","","0.934","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105110","5.5267","0.0018","8.366","0.01","8.812","0.005","90","","90","","90","","407.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.139","0.06","","","0.1006","0.1232","","","","","","0.927","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105111","5.489","0.002","8.339","0.01","8.632","0.006","90","","90","","90","","395.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.1581","0.0647","","","0.1204","0.1519","","","","","","0.942","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105112","5.631","0.003","6.921","0.015","9.619","0.008","90","","90","","90","","374.9","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine","(S)-2-amino-3-hydroxypropanoic acid","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","GP5049","Zakharov, Boris A.; Kolesov, Boris A.; Boldyreva, Elena V.","Effect of pressure on crystalline <small>L</small>- and <small>DL</small>-serine: revisited by a combined single-crystal X-ray diffraction at a laboratory source and polarized Raman spectroscopy study","Acta Crystallographica Section B","2012","68","3","275","286","10.1107/S0108768112015960","","","0.71073","MoKα","","0.0979","0.0598","","","0.0767","0.0864","","","","","","1.025","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105122","8.9716","0.0005","10.3943","0.0007","31.5444","0.0012","90","","90","","90","","2941.6","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N6 O12 S2 -","- C22 H32 N6 O12 S2 -","- C88 H128 N24 O48 S8 -","4","1","GW5017","Schürmann, C. J.; Pröpper, K.; Wagner, T.; Dittrich, B.","Invariom modeling of ceftazidime pentahydrate: molecular properties from a 200 second synchrotron microcrystal experiment","Acta Crystallographica Section B","2012","68","3","313","317","10.1107/S0108768112017831","","","0.65","monochromatedsynchrotronradiation","","0.0982","0.06","","","","0.0669","","","","","","1.5191","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105211","5.1194","0.0002","9.0278","0.0002","20.1089","0.0006","90","","90","","90","","929.37","0.05","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 I N O -","- C8 H12 I N O -","- C32 H48 I4 N4 O4 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0198","0.0175","","","0.035","0.0353","","","","","","0.981","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105215","5.0262","0.0001","10.0739","0.0002","21.7126","0.0005","90","","90","","90","","1099.38","0.04","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O4 S -","- C9 H15 N O4 S -","- C36 H60 N4 O16 S4 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0334","0.0269","","","0.0537","0.0548","","","","","","0.969","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105218","7.7244","0.0002","11.1889","0.0002","17.4253","0.0004","90","","90","","90","","1506.03","0.06","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C56 H76 N4 O20 S4 -","4","1","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0386","0.0319","","","0.0693","0.0725","","","","","","1.049","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105219","7.6261","0.0005","34.974","0.002","10.9159","0.0006","90","","90","","90","","2911.4","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N O5.5 S -","- C14 H18 N O5.5 S -","- C112 H144 N8 O44 S8 -","8","2","RY5045","Briggs, Naomi E. B.; Kennedy, Alan R.; Morrison, Catriona A.","42 salt forms of tyramine: structural comparison and the occurrence of hydrate formation","Acta Crystallographica Section B","2012","68","4","453","464","10.1107/S0108768112026456","","","0.71073","MoKα","","0.0818","0.0393","","","0.0446","0.0484","","","","","","0.751","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105292","7.0862","0.0006","10.0235","0.0008","13.2437","0.0011","90","","90","","90","","940.68","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Cl2 Mn N O3 -","- C5 H11 Cl2 Mn N O3 -","- C20 H44 Cl8 Mn4 N4 O12 -","4","1","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0404","0.0319","","","0.0693","0.0737","","","","","","1.056","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105294","8.1264","0.0018","11.867","0.003","13.727","0.003","90","","90","","90","","1323.8","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 I2 Mn N O5 -","- C5 H15 I2 Mn N O5 -","- C20 H60 I8 Mn4 N4 O20 -","4","1","GP5056","Lamberts, Kevin; Englert, Ulli","Structures from Mn<i>X</i>~2~ and proline: isomorphous racemic compounds and a series of chiral non-isomorphous chain polymers","Acta Crystallographica Section B","2012","68","6","610","618","10.1107/S0108768112043996","","","0.71073","MoKα","","0.0402","0.0334","","","0.0737","0.0778","","","","","","1.032","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105320","26.573","0.002","4.8587","0.0002","8.8165","0.0004","90","","90","","90","","1138.3","0.11","293","2","293","2","11800000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B","2013","69","1","77","85","10.1107/S0108768112051142","","","0.71073","MoKα","","0.0727","0.0469","","","0.1091","0.1168","","","","","","1.079","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105321","26.5733","0.0018","4.7178","0.0002","8.6406","0.0002","90","","90","","90","","1083.25","0.09","293","2","293","2","21000000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B","2013","69","1","77","85","10.1107/S0108768112051142","","","0.71073","MoKα","","0.0865","0.045","","","0.0945","0.1033","","","","","","0.973","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105322","26.605","0.002","4.6688","0.0002","8.5711","0.0003","90","","90","","90","","1064.65","0.1","293","2","293","2","25000000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B","2013","69","1","77","85","10.1107/S0108768112051142","","","0.71073","MoKα","","0.0869","0.0504","","","0.1169","0.1252","","","","","","0.994","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105323","26.6068","0.0019","4.6576","0.0002","8.5556","0.0002","90","","90","","90","","1060.24","0.09","293","2","293","2","26300000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B","2013","69","1","77","85","10.1107/S0108768112051142","","","0.71073","MoKα","","0.084","0.0464","","","0.0955","0.104","","","","","","0.994","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105348","10.125","","7.335","","6.992","","90","","90","","90","","519.274","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ag (N O3)","","- Ag N O3 -","- Ag N O3 -","- Ag8 N8 O24 -","8","2","","Meyer, P.; Rimsky, A.; Chevalier, R.","Structure du nitrate d'argent a pression et temperature ordinaires. Exemple de cristal parfait","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1457","1462","10.1107/S0567740878005907","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105357","29.21999","","12.67","","5.62","","90","","90","","90","","2080.62","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ag2 Sn O3","","- Ag2 O3 Sn -","- Ag2 O3 Sn -","- Ag48 O72 Sn24 -","24","6","","Carlsson, A.; Linke, C.; Svensson, C.; Bovin, J.O.; Oku, T.; Wallenberg, L.R.; Jansen, M.","Modulated structure of Ag2 Sn O3 studied by high-resolution electron microscopy","Acta Crystallographica B (39,1983-)","2000","56","","363","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105363","7.4354","","7.7759","","17.1338","","90","","90","","90","","990.624","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ag2 I N O3 -","- Ag2 I N O3 -","- Ag16 I8 N8 O24 -","8","2","","Persson, K.","The crystal structure of Ag2 I N O3","Acta Crystallographica B (24,1968-38,1982)","1979","35","","302","306","10.1107/S056774087900340X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2105373","14.169","","11.598","","6.585","","90","","90","","90","","1082.13","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ag4 (P2 Se6)","","- Ag4 P2 Se6 -","- Ag4 P2 Se6 -","- Ag16 P8 Se24 -","4","1","","Rodier, N.; Toffoli, P.; Khodadad, P.","Structure cristalline de l'hexaselenohypodiphosphate d'argent, Ag4 P2 Se6","Acta Crystallographica B (24,1968-38,1982)","1978","34","","1779","1781","10.1107/S056774087800669X","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105428","6.213","","8.521","","9.17","","90","","90","","90","","485.469","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cs2 O (B2 O3)3","","- B6 Cs2 O10 -","- B6 Cs2 O10 -","- B12 Cs4 O20 -","2","0.5","","Krogh-Moe, J.","Refinement of the crystal structure of cesium triborate, Cs2 O (B2 O3)3","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1178","1180","10.1107/S0567740874004511","","","","","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105433","16.597","","12.469","","11.569","","90","","90","","90","","2394.18","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ca K2 (B4 O5 (O H)4)2 (H2 O)8","","- B8 Ca H16 K2 O26 -","- B8 Ca H24 K2 O26 -","- B32 Ca4 H96 K8 O104 -","4","1","","Domenech, M.V.; Font-Altaba, M.; Solans, X.; Solans, J.","The calcium potassium tetraborate hydrate Ca K2 (B4 O5(O H)4)2 (H2 O)8","Acta Crystallographica B (24,1968-38,1982)","1982","38","","2438","2441","10.1107/S0567740882008954","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2105460","4.7199","0.0012","15.345","0.005","19.338","0.006","90","","90","","90","","1400.6","0.7","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-oxo-N-(2-methoxyphenyl)-4H-chromene-2-carboxamide","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","PS5026","Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda","Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides","Acta Crystallographica Section B","2013","69","3","294","309","10.1107/S2052519213009676","","","0.71075","MoKα","","0.0408","0.039","","","0.0942","0.0952","","","","","","1.122","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105471","8.7127","0.0004","10.9675","0.0008","16.8649","0.0009","90","","90","","90","","1611.55","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 F2 N3 O3 P -","- C13 H20 F2 N3 O3 P -","- C52 H80 F8 N12 O12 P4 -","4","1","SO5063","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa","Hirshfeld surface analysis of new phosphoramidates","Acta Crystallographica Section B","2013","69","3","260","270","10.1107/S2052519213009445","","","1.54178","CuKα","","0.0565","0.0435","","","0.1036","0.112","","","","","","1.021","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105496","5.947","0.0004","10.4021","0.0005","13.5773","0.0007","90","","90","","90","","839.91","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Fe O8 -","- C6 H8 Fe O8 -","- C24 H32 Fe4 O32 -","4","1","BP5057","Birsa Čelič, Tadeja; Jagličič, Zvonko; Lazar, Karoly; Zabukovec Logar, Nataša","Structure and magnetic properties of a new iron(II) citrate coordination polymer","Acta Crystallographica Section B","2013","69","5","490","495","10.1107/S2052519213023713","","","0.71073","MoKα","","0.039","0.0355","","","0.0947","0.1019","","","","","","0.81","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105539","19.655","0.006","10.677","0.003","5.503","0.002","90","","90","","90","","1154.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-anilinophthalimide (orthorhombic)","1H-Isoindole-1,3-(2H)-dione, 2-aminophenyl (please check)","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C56 H40 N8 O8 -","4","1","BK0046","Botoshansky, M.; Ellern, A.; Gasper, N.; Henck, J.-O.; Herbstein, F. H.","Structural, Thermodynamic and Kinetic (Hysteresis) Aspects of the Enantiotropic First-Order Phase Transformations of <i>N</i>-Anilinophthalimide and <i>N</i>-(<i>N</i>'-Methylanilino)phthalimide","Acta Crystallographica Section B","1998","54","3","277","290","10.1107/S0108768197012135","","","0.7107","MoKα","","0.084","0.0555","","0.12","0.1051","","","","1.084","1.203","1.203","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105570","5.199","0.006","9.651","0.014","15.95","0.017","90","","90","","90","","800.3","1.7","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-acetylbenzoic acid, 3-methylphthalide","3-methyl-3-hydroxy-1(3H)-isobenzofuranone","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","FR0001","Valente, E. J.; Fuller, J. F.; Ball, J. D.","Pseudoacids. I. 4- and 5-Oxoacids","Acta Crystallographica Section B","1998","54","2","162","173","10.1107/S010876819701149X","","","0.71073","MoKα","","0.072","0.0409","","0.0935","0.0842","","","","0.967","1.093","1.093","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105573","6.923","0.002","8.291","0.004","21.551","0.008","90","","90","","90","","1237","0.8","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","methyl pseudoester of o-benzoylbenzoic acid","3-methoxy-3-phenyl-1(3H)-isobenzofuranone","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","FR0002","Valente, E. J.; Martin, S. B.; Sullivan, L. D.","Pseudoacids. II. 2-Acylbenzoic Acid Derivatives","Acta Crystallographica Section B","1998","54","3","264","276","10.1107/S0108768197012020","","","0.71073","MoKα","","0.0375","0.0253","","0.06","0.0581","","","","0.859","1.019","1.019","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105574","8.662","0.004","9.551","0.007","17.649","0.014","90","","90","","90","","1460.1","1.7","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-hydroxy-3-phenyl-1-isoindolone","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","FR0002","Valente, E. J.; Martin, S. B.; Sullivan, L. D.","Pseudoacids. II. 2-Acylbenzoic Acid Derivatives","Acta Crystallographica Section B","1998","54","3","264","276","10.1107/S0108768197012020","","","0.71073","MoKα","","0.1401","0.0583","","0.1297","0.1131","","","","0.652","1.211","1.211","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105585","6.641","0.004","7.109","0.004","11.594","0.005","90","","90","","90","","547.4","0.5","100","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H6 O S -","- C5 H6 O S -","- C20 H24 O4 S4 -","4","1","HA0185","Blake, Alexander J.; Clark, Bernard A. J.; Gierens, Hedi; Gould, Robert O.; Hunter, Gordon A.; McNab, Hamish; Morrow, Mark; Sommerville, Craig C.","Intramolecular and intermolecular geometry of thiophenes with oxygen-containing substituents","Acta Crystallographica Section B","1999","55","6","963","974","10.1107/S0108768199003547","","","0.71073","MoKα","","0.0568","0.0487","","","","0.1425","","","","","","1.07","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105645","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.0471","0.0425","","","","0.1194","","","","","","1.133","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105646","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.0364","0.0315","","","","0.0848","","","","","","1.19","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105647","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.087","0.0618","","","","0.1446","","","","","","1.31","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105648","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.0487","0.035","","","","0.0878","","","","","","1.069","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105649","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.0798","0.0533","","","","0.115","","","","","","1.212","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105650","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.0802","0.0539","","","","0.1184","","","","","","1.213","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105651","7.275","0.002","9.097","0.003","10.507","0.003","90","","90","","90","","695.4","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Glycyl-L-serine","","- C5 H10 N2 O4 -","- C5 H10 N2 O4 -","- C20 H40 N8 O16 -","4","1","OS0029","Görbitz, Carl Henrik","What is the best crystal size for collection of X-ray data? Refinement of the structure of glycyl-<small>L</small>-serine based on data from a very large crystal","Acta Crystallographica Section B","1999","55","6","1090","1098","10.1107/S0108768199008721","","","0.71073","MoKα","","0.0328","0.0277","","","","0.0736","","","","","","1.161","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105688","9.2532","0.001","10.1555","0.0016","12.661","0.0012","90","","90","","90","","1189.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(1-amino-ethylidene)-2-methoxy-2-oxo-2,3-dihydro-2λ^5^-benzo[e][1,2] oxaphosphinin-4-one","","- C11 H12 N O4 P -","- C11 H12 N O4 P -","- C44 H48 N4 O16 P4 -","4","1","GW5021","Małecka, Magdalena; Mondal, Swastik; van Smaalen, Sander; Paulmann, Carsten","Charge density distribution of 3-(1-aminoethylidene)-2-methoxy-2-oxo-2,3-dihydro-2λ^5^-benzo[<i>e</i>][1,2]oxaphosphinin-4-one","Acta Crystallographica Section B","2013","69","6","621","628","10.1107/S2052519213027267","","","0.6","synchrotron","","0.018","0.015","","","","0.017","0.023","","","","","1.372","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105736","4.8645","0.0004","13.054","0.0011","15.508","0.0014","90","","90","","90","","984.78","0.15","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 B2 O2 -","- C12 H10 B2 O2 -","- C48 H40 B8 O8 -","4","1","BI5017","Durka, Krzysztof; Luliński, Sergiusz; Jarzembska, Katarzyna N.; Smetek, Jaromir; Serwatowski, Janusz; Woźniak, Krzysztof","Competition between hydrogen and halogen bonding in the structures of 5,10-dihydroxy-5,10-dihydroboranthrenes","Acta Crystallographica Section B","2014","70","1","157","171","10.1107/S2052520613034987","","","0.71073","MoKα","","0.1131","0.0814","","","0.1949","0.2204","","","","","","1.048","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105746","7.2598","0.0011","10.2744","0.0015","27.997","0.004","90","","90","","90","","2088.3","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N4 O4 -","- C22 H26 N4 O4 -","- C88 H104 N16 O16 -","4","1","BI5004","Bisht, Kamal Kumar; Patel, Priyank; Rachuri, Yadagiri; Eringathodi, Suresh","Binary co-crystals of the active pharmaceutical ingredient 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene and camphoric acid","Acta Crystallographica Section B","2014","70","1","63","71","10.1107/S2052520613031260","","","0.71073","MoKα","","0.0503","0.0485","","","0.1082","0.1092","","","","","","1.131","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105753","7.368","0.002","13.121","0.004","16.247","0.004","90","","90","","90","","1570.7","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl N4 O6 S2 -","- C13 H13 Cl N4 O6 S2 -","- C52 H52 Cl4 N16 O24 S8 -","4","1","BI5011","Sanphui, Palash; Rajput, Lalit","Tuning solubility and stability of hydrochlorothiazide co-crystals","Acta Crystallographica Section B","2014","70","1","81","90","10.1107/S2052520613026917","","","0.71073","MoKα","","0.0381","0.0367","","","0.096","0.107","","","","","","1.135","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105754","7.6531","0.001","13.2192","0.0016","16.148","0.002","90","","90","","90","","1633.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cl N5 O5 S2 -","- C13 H14 Cl N5 O5 S2 -","- C52 H56 Cl4 N20 O20 S8 -","4","1","BI5011","Sanphui, Palash; Rajput, Lalit","Tuning solubility and stability of hydrochlorothiazide co-crystals","Acta Crystallographica Section B","2014","70","1","81","90","10.1107/S2052520613026917","","","0.71073","MoKα","","0.0348","0.0336","","","0.0899","0.1004","","","","","","1.083","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105797","3.7601","0.0001","11.2911","0.0003","14.6877","0.0004","90","","90","","90","","623.58","0.03","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pyrazine-2-carboxyamide","","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C24 H28 N12 O4 -","4","1","GW5026","Rajalakshmi, Gnanasekaran; Hathwar, Venkatesha R.; Kumaradhas, Poomani","Topological analysis of electron density and the electrostatic properties of isoniazid: an experimental and theoretical study","Acta Crystallographica Section B","2014","70","2","331","341","10.1107/S2052520613033209","","","0.71073","MoKα","","0.0214","0.0145","","","0.016","0.0172","","","","","","1.02","","","","has coordinates,has Fobs","192335","2020-10-21","18:00:00",""
"2105812","20.14922","0.00038","23.95453","0.0005","8.85344","0.00021","90","","90","","90","","4273.25","0.16","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Clarithromycin","6-O-Methylerythromycin A","","- C38 H69 N O13 -","- C38 H69 N O13 -","- C152 H276 N4 O52 -","4","1","OG5067","Habermehl, Stefan; Mörschel, Philipp; Eisenbrandt, Pierre; Hammer, Sonja M.; Schmidt, Martin U.","Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions","Acta Crystallographica Section B","2014","70","2","347","359","10.1107/S2052520613033994","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.008","1.535","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105842","6.80762","0.00014","7.91478","0.00015","8.5849","0.00017","90","","90","","90","","462.561","0.016","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0388","0.0356","","","0.0921","0.0953","","","","","","1.071","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105843","6.651","0.003","7.9179","0.0004","8.6122","0.0005","90","","90","","90","","453.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0692","0.0379","","","0.0743","0.0783","","","","","","0.916","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105844","6.192","0.003","7.8972","0.0004","8.6249","0.0005","90","","90","","90","","421.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0521","0.0309","","","0.0566","0.0587","","","","","","0.922","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105845","6","0.002","7.8498","0.0003","8.5198","0.0003","90","","90","","90","","401.27","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.057","0.038","","","0.0674","0.0708","","","","","","0.955","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105846","5.956","0.004","7.8277","0.0008","8.4702","0.0007","90","","90","","90","","394.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0724","0.0384","","","0.0625","0.0676","","","","","","0.857","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105847","5.923","0.002","7.786","0.003","8.3734","0.0004","90","","90","","90","","386.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0485","0.0308","","","0.055","0.0576","","","","","","0.912","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105848","5.918","0.002","7.7502","0.0004","8.2755","0.0004","90","","90","","90","","379.56","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0527","0.0341","","","0.0586","0.0609","","","","","","0.912","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105849","5.9522","0.0017","7.6818","0.0003","8.1087","0.0004","90","","90","","90","","370.76","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0485","0.0322","","","0.0547","0.0573","","","","","","0.91","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105850","5.9823","0.0017","7.6367","0.0003","7.9823","0.0004","90","","90","","90","","364.67","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0465","0.0309","","","0.052","0.0542","","","","","","0.905","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105851","6.0049","0.0019","7.5908","0.0004","7.888","0.0004","90","","90","","90","","359.55","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, Eugene A.; Minkov, Vasily S.; Boldyreva, Elena V.","Effect of pressure on methylated glycine derivatives: relative roles of hydrogen bonds and steric repulsion of methyl groups","Acta Crystallographica Section B","2014","70","3","517","532","10.1107/S205252061401035X","","","0.71073","MoKα","","0.0596","0.0371","","","0.0628","0.0661","","","","","","0.944","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2105858","4.106","0.001","12.899","0.003","26.001","0.005","90","","90","","90","","1377.1","0.5","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","m-dibromobenzene","1,3-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","2","ZB5043","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.0894","0.0421","","","0.0508","0.0544","","","","","","1.044","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105859","4.1264","0.0004","12.9505","0.0013","26.257","0.002","90","","90","","90","","1403.1","0.2","260","2","260","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","m-dibromobenzene","1,3-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","2","","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.1148","0.0514","","","0.094","0.1141","","","","","","0.992","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105860","4.0412","0.0012","12.806","0.005","25.996","0.011","90","","90","","90","","1345.3","0.9","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","m-dibromobenzene","1,3-dibromobenzene","","- C6 H4 Br2 -","- C6 H4 Br2 -","- C48 H32 Br16 -","8","2","","Dziubek, Kamil F.; Katrusiak, Andrzej","Structure‒melting relations in isomeric dibromobenzenes","Acta Crystallographica Section B","2014","70","3","492","497","10.1107/S2052520614011445","","","0.71073","MoKα","","0.0518","0.0331","","","0.0612","0.065","","","","","","0.85","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105874","7.5626","0.0011","12.1894","0.0015","12.239","0.004","90","","90","","90","","1128.2","0.4","298","2","298","2","0","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0429","0.0384","","","0.0784","0.0817","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105875","7.3362","0.0008","11.9411","0.0011","11.864","0.003","90","","90","","90","","1039.3","0.3","298","2","298","2","1260000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0428","0.0389","","","0.0934","0.0993","","","","","","1.13","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105876","7.2357","0.0009","11.8141","0.0012","11.692","0.003","90","","90","","90","","999.5","0.3","298","2","298","2","2350000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0404","0.036","","","0.0789","0.0842","","","","","","1.14","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105877","7.152","0.002","11.695","0.002","11.553","0.004","90","","90","","90","","966.3","0.5","298","2","298","2","3600000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0449","0.035","","","0.0645","0.0706","","","","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105878","7.0777","0.0012","11.601","0.008","11.4241","0.001","90","","90","","90","","938","0.7","298","2","298","2","4250000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.03","0.0294","","","0.0679","0.0681","","","","","","1.25","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105879","7.0624","0.0012","11.5835","0.0009","11.2892","0.0012","90","","90","","90","","923.5","0.2","298","2","298","2","4600000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0416","0.0408","","","0.1021","0.1026","","","","","","1.14","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105880","7.0324","0.0008","11.5032","0.0011","11.223","0.003","90","","90","","90","","907.9","0.3","298","2","298","2","5350000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.071","0.0689","","","0.1664","0.1685","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105881","6.9416","0.0009","11.3535","0.0013","11.116","0.003","90","","90","","90","","876.1","0.3","298","2","298","2","7310000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0506","0.0479","","","0.1113","0.1143","","","","","","1.07","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105882","6.9234","0.0009","11.3268","0.0011","11.089","0.002","90","","90","","90","","869.6","0.2","298","2","298","2","7680000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8406","synchrotron","","0.0432","0.0404","","","0.0968","0.0993","","","","","","1.12","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105883","7.5641","0.0014","12.24","0.002","12.266","0.002","90","","90","","90","","1135.6","0.3","296","2","296","2","0","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.71073","MoKα","","0.038","0.0363","","","0.0622","0.0628","","","","","","1.22","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105884","7.548","0.0013","12.196","0.003","12.234","0.004","90","","90","","90","","1126.2","0.5","296","2","296","2","300000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0354","0.0295","","","0.0833","0.0955","","","","","","0.695","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105885","7.2928","0.0004","11.7947","0.0005","11.945","0.004","90","","90","","90","","1027.5","0.4","296","2","296","2","1630000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6911","synchrotron","","0.0426","0.0385","","","0.0933","0.0996","","","","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105886","7.3491","0.0019","11.895","0.002","11.95","0.02","90","","90","","90","","1044.6","1.8","296","2","296","2","1640000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0393","0.0375","","","0.0932","0.0978","","","","","","0.67","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105887","7.241","0.003","11.781","0.004","11.964","0.019","90","","90","","90","","1020.6","1.7","296","2","296","2","2180000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.055","0.0481","","","0.116","0.129","","","","","","0.75","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105888","7.1844","0.0005","11.6182","0.0009","11.803","0.003","90","","90","","90","","985.2","0.3","296","2","296","2","2880000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8004","synchrotron","","0.0544","0.0527","","","0.141","0.148","","","","","","1.21","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105889","7.1597","0.0004","11.5646","0.0006","11.733","0.003","90","","90","","90","","971.5","0.3","296","2","296","2","3270000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6911","synchrotron","","0.0361","0.0337","","","0.0706","0.0718","","","","","","1.09","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105890","7.1263","0.0005","11.5122","0.001","11.709","0.004","90","","90","","90","","960.6","0.3","296","2","296","2","3780000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8004","synchrotron","","0.0511","0.0455","","","0.115","0.137","","","","","","1.16","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105891","7.0875","0.0003","11.4434","0.0003","11.663","0.002","90","","90","","90","","945.93","0.17","296","2","296","2","4190000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.8004","synchrotron","","0.0331","0.0303","","","0.0677","0.0695","","","","","","1.05","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105892","7.08","0.002","11.365","0.004","11.748","0.016","90","","90","","90","","945.3","1.4","296","2","296","2","4710000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0812","0.0777","","","0.178","0.186","","","","","","1.07","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105893","7.031","0.0003","11.3493","0.0003","11.577","0.004","90","","90","","90","","923.8","0.3","296","2","296","2","5400000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pt S3 -","- C6 H12 Cl2 Pt S3 -","- C24 H48 Cl8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6911","synchrotron","","0.0389","0.0356","","","0.0943","0.101","","","","","","1.15","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105894","7.5656","0.0017","12.267","0.002","12.56","0.03","90","","90","","90","","1166","3","296","2","296","2","0","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0306","0.0264","","","0.05","0.0538","","","","","","1.02","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105895","7.5457","0.0017","12.233","0.002","12.56","0.04","90","","90","","90","","1159","4","296","2","296","2","460000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0297","0.0254","","","0.0469","0.0504","","","","","","0.99","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105896","7.2611","0.0016","11.71","0.002","12.2","0.04","90","","90","","90","","1037","3","296","2","296","2","2500000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.024","0.0215","","","0.0402","0.0416","","","","","","0.93","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105897","7.3007","0.001","11.731","0.0011","12.18","0.03","90","","90","","90","","1043","3","296","2","296","2","3040000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0488","0.0452","","","0.106","0.111","","","","","","1.1","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105898","7.1615","0.0018","11.534","0.002","12.06","0.05","90","","90","","90","","996","4","296","2","296","2","4010000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0471","0.0447","","","0.106","0.109","","","","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105899","7.1007","0.0018","11.424","0.002","11.94","0.05","90","","90","","90","","969","4","296","2","296","2","5000000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0542","0.0512","","","0.124","0.128","","","","","","1.07","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105900","7.0751","0.0019","11.356","0.002","11.8","0.05","90","","90","","90","","948","4","296","2","296","2","6470000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0556","0.0507","","","0.122","0.13","","","","","","1.09","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105901","6.9209","0.0019","11.113","0.002","12.12","0.07","90","","90","","90","","932","5","296","2","296","2","7130000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0826","0.0809","","","0.205","0.207","","","","","","1.2","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105902","6.9201","0.0018","11.115","0.002","11.85","0.06","90","","90","","90","","911","5","296","2","296","2","8190000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0588","0.0559","","","0.133","0.138","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105903","6.85","0.002","10.995","0.002","11.86","0.07","90","","90","","90","","893","5","296","2","296","2","9650000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0491","0.0458","","","0.114","0.117","","","","","","1.1","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105904","6.8849","0.0018","11.05","0.002","11.62","0.05","90","","90","","90","","884","4","296","2","296","2","10260000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0332","0.0322","","","0.0728","0.0737","","","","","","1.08","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105905","6.858","0.002","11.011","0.003","11.61","0.07","90","","90","","90","","877","5","296","2","296","2","11690000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pd S3 -","- C6 H12 Br2 Pd S3 -","- C24 H48 Br8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0769","0.071","","","0.177","0.185","","","","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105906","7.494","0.0012","12.143","0.002","12.93","0.04","90","","90","","90","","1177","4","296","2","296","2","0","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.025","0.0207","","","0.0318","0.0333","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105907","7.4515","0.0012","12.068","0.002","12.92","0.04","90","","90","","90","","1162","4","296","2","296","2","270000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0281","0.0235","","","0.0378","0.0392","","","","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105908","7.1895","0.0013","11.589","0.002","12.6","0.05","90","","90","","90","","1050","4","296","2","296","2","1700000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0259","0.0243","","","0.0473","0.0486","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105909","7.128","0.0014","11.468","0.003","12.43","0.04","90","","90","","90","","1016","3","296","2","296","2","3270000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0403","0.0272","","","0.045","0.0474","","","","","","0.74","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105910","7.0791","0.0013","11.395","0.002","12.2","0.04","90","","90","","90","","984","3","296","2","296","2","4250000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0225","0.0214","","","0.0408","0.0413","","","","","","1.05","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105911","7.0551","0.0015","11.344","0.003","12.2","0.05","90","","90","","90","","976","4","296","2","296","2","4820000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0318","0.0265","","","0.0444","0.046","","","","","","0.75","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105912","6.9789","0.0013","11.211","0.003","12.04","0.04","90","","90","","90","","942","3","296","2","296","2","6250000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0261","0.0249","","","0.0446","0.0449","","","","","","1.15","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105913","6.92","0.0014","11.109","0.003","11.92","0.04","90","","90","","90","","916","3","296","2","296","2","7490000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0334","0.0315","","","0.0617","0.0635","","","","","","1.07","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105914","6.8955","0.0014","11.072","0.003","11.9","0.04","90","","90","","90","","909","3","296","2","296","2","8260000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0329","0.0306","","","0.0564","0.0575","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105915","6.873","0.0014","11.029","0.003","11.85","0.04","90","","90","","90","","898","3","296","2","296","2","8880000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0316","0.0302","","","0.0553","0.0558","","","","","","1.09","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105916","6.8725","0.0013","11.002","0.002","11.86","0.04","90","","90","","90","","897","3","296","2","296","2","9710000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Br2 Pt S3 -","- C6 H12 Br2 Pt S3 -","- C24 H48 Br8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0288","0.0276","","","0.0615","0.0629","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105917","7.6317","0.0004","12.6036","0.0007","13.0266","0.0007","90","","90","","90","","1252.99","0.12","296","2","296","2","101.3","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.71073","MoKα","","0.072","0.0509","","","0.0883","0.0979","","","","","","1.02","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105918","7.429","0.002","12.201","0.008","12.888","0.008","90","","90","","90","","1168.2","1.1","296","2","296","2","790000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.133","0.072","","","0.103","0.132","","","","","","1.01","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105919","7.345","0.002","12.087","0.011","12.758","0.008","90","","90","","90","","1132.6","1.3","296","2","296","2","1900000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.11","0.0679","","","0.12","0.148","","","","","","1.13","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105920","7.2598","0.0014","11.824","0.006","12.514","0.006","90","","90","","90","","1074.2","0.8","296","2","296","2","3000000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.113","0.059","","","0.0812","0.0921","","","","","","0.86","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105921","7.194","0.0017","11.747","0.005","12.504","0.006","90","","90","","90","","1056.7","0.7","296","2","296","2","3600000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0696","0.0515","","","0.101","0.11","","","","","","1.1","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105922","7.164","0.003","11.705","0.01","12.501","0.014","90","","90","","90","","1048.3","1.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0981","0.0778","","","0.181","0.214","","","","","","1.06","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105923","7.069","0.0015","11.486","0.006","12.321","0.006","90","","90","","90","","1000.4","0.7","296","2","296","2","5770000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0892","0.0652","","","0.136","0.151","","","","","","1.17","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105924","7.0662","0.0016","11.515","0.005","12.301","0.006","90","","90","","90","","1000.9","0.7","296","2","296","2","6040000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0896","0.0672","","","0.133","0.154","","","","","","1.05","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105925","7.0427","0.0012","11.532","0.004","12.22","0.006","90","","90","","90","","992.5","0.6","296","2","296","2","6600000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0779","0.0617","","","0.124","0.137","","","","","","1.13","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105926","6.9924","0.0017","11.391","0.005","12.208","0.007","90","","90","","90","","972.4","0.7","296","2","296","2","7940000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0779","0.0584","","","0.119","0.132","","","","","","1.17","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105927","6.962","0.003","11.299","0.008","12.16","0.011","90","","90","","90","","956.5","1.2","296","2","296","2","9400000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pd S3 -","- C6 H12 I2 Pd S3 -","- C24 H48 I8 Pd4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.117","0.0752","","","0.136","0.174","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105928","7.673","0.0004","12.4007","0.0009","12.975","0.013","90","","90","","90","","1234.6","1.2","296","2","296","2","101.3","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0948","0.0688","","","0.1612","0.1831","","","","","","1.076","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105929","7.326","0.002","11.87","0.004","12.82","0.02","90","","90","","90","","1114.8","1.8","296","2","296","2","600000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0886","0.0656","","","0.15","0.161","","","","","","1.028","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105930","7.3036","0.0006","11.7841","0.0013","12.567","0.014","90","","90","","90","","1081.6","1.2","296","2","296","2","2380000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0939","0.0814","","","0.185","0.208","","","","","","1.119","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105931","7.1189","0.0006","11.4718","0.0012","12.271","0.016","90","","90","","90","","1002.1","1.3","296","2","296","2","4880000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0517","0.0306","","","0.0676","0.0856","","","","","","0.23","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105932","7.1052","0.0006","11.4442","0.0015","12.207","0.019","90","","90","","90","","992.6","1.6","296","2","296","2","5580000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0747","0.0667","","","0.157","0.171","","","","","","1.04","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105933","7.0675","0.0007","11.3851","0.0014","12.215","0.017","90","","90","","90","","982.9","1.4","296","2","296","2","6130000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0691","0.0614","","","0.128","0.136","","","","","","1.03","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105934","7.0296","0.0009","11.3196","0.0017","12.2","0.02","90","","90","","90","","970.8","1.6","296","2","295","2","6970000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.099","0.0567","","","0.114","0.141","","","","","","0.4","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105935","7.1941","0.0006","11.5906","0.0014","12.362","0.016","90","","90","","90","","1030.8","1.3","296","2","296","2","3800000","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I2 Pt S3 -","- C6 H12 I2 Pt S3 -","- C24 H48 I8 Pt4 S12 -","4","1","XK5015","Allan, David R.; Bailey, Daniel; Bird, Nigel; Blake, Alexander J.; Champness, Neil R.; Huang, Deguang; Keane, Conal P.; McMaster, Jonathan; Prior, Timothy J.; Tidey, Jeremiah P.; Schröder, Martin","High-pressure studies of palladium and platinum thioether macrocyclic dihalide complexes","Acta Crystallographica Section B","2014","70","3","469","486","10.1107/S2052520614008786","","","0.6889","synchrotron","","0.0892","0.0725","","","0.173","0.2","","","","","","1.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106002","8.2876","0.0006","11.1324","0.0009","11.9121","0.0009","90","","90","","90","","1099.02","0.15","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cl4 Co N2 -","- C4 H12 Cl4 Co N2 -","- C16 H48 Cl16 Co4 N8 -","4","1","HW5038","Decaroli, C.; Arevalo-Lopez, A. M.; Woodall, C. H.; Rodriguez, E. E.; Attfield, J. P.; Parker, S. F.; Stock, C.","(C~4~H~12~N~2~)[CoCl~4~]: tetrahedrally coordinated Co^2+^ without the orbital degeneracy","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614024809","","","0.71073","MoKα","","0.0436","0.0321","","","0.069","0.074","","","","","","1.068","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106005","7.2834","0.0002","11.6425","0.0003","41.9069","0.0015","90","","90","","90","","3553.58","0.18","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-(3-carboxypropanoyloxy)- 2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b- dodecahydro-1H-picene-2-carboxylic acid dimethoxyethan solvate","","- C38 H60 O9 -","- C38 H60 O9 -","- C152 H240 O36 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Solid-state supramolecular architecture of carbenoxolone ‒ comparative studies with glycyrrhetinic and glycyrrhizic acids","Acta Crystallographica Section B","2015","71","1","","","10.1107/S2052520614026419","","","1.54184","CuKα","","0.0709","0.0559","","","0.1307","0.1382","","","","","","1.076","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106031","22.16","","7.73","","7.08","","90","","90","","90","","1212.78","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Na2 (Zr (S O4)3) (H2 O)3","","- H6 Na2 O15 S3 Zr -","- Na2 O15 S3 Zr -","- Na8 O60 S12 Zr4 -","4","1","","Bear, I.J.; Mumme, W.G.","The Crystal Chemistry of Zirconium Sulphates. VII. The Structure of Na2 (Zr (S O4)3) (H2 O)3","Acta Crystallographica B (24,1968-38,1982)","1971","27","","494","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106213","11.034","","17.569","","5.024","","90","","90","","90","","973.934","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Cu3.85 Mo3 O12 -","- Cu3.85 Mo3 O12 -","- Cu15.4 Mo12 O48 -","4","1","","Katz, L.; Kasenally, A.; Kihlborg, L.","The Crystal Structure of the Reduced Copper Molybdate, Cu4-x Mo3 O12 (x=.15)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2071","2077","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106238","5.856","","17.47","","5.582","","90","","90","","90","","571.063","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cd (I O3)2","","- Cd I2 O6 -","- Cd I2 O6 -","- Cd4 I8 O24 -","4","1","","Bach, H.; Kueppers, H.","Cadmium diiodate","Acta Crystallographica B (24,1968-38,1982)","1978","34","","263","265","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106331","15.8304","","19.876","","10.6828","","90","","90","","90","","3361.29","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Na6 (Mo5 P2 O23) (H2 O)14","","- H28 Mo5 Na6 O37 P2 -","- Mo5 Na6 O37 P2 -","- Mo20 Na24 O148 P8 -","4","1","","Hedman, B.","Multicomponent polyanions. 16. The molecular and crystal structure of Na6 Mo5 P2 O23 (H2 O)14 , a compound containing sodium-coordinated pentamolybdodiphosphate anions","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3083","3090","","","","","","","","","","","","","","","","","","","","","","has coordinates","149105","2020-10-21","18:00:00",""
"2106349","8.251","","9.159","","5.532","","90","","90","","90","","418.058","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(N2 H6) (S O4)","","- H6 N2 O4 S -","- H6 N2 O4 S -","- H24 N8 O16 S4 -","4","1","","Joensson, P.G.; Hamilton, W.C.","Neutron and X-ray diffraction studies of hydrazinium sulfate, N2 H6 S O4","Acta Crystallographica B (24,1968-38,1982)","1970","26","","536","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106491","12.381","","12.791","","11.801","","90","","90","","90","","1868.87","","","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Ca K (Co (S2 C2 O2)3) (H2 O)4","","- C6 H8 Ca Co K O10 S6 -","- C6 H8 Ca Co K O10 S6 -","- C24 H32 Ca4 Co4 K4 O40 S24 -","4","1","","Butler, K. R.; Snow, M. R.","The crystal structure of calcium potassium(+)589-tris(dithiooxalato)cob altate(III) tetrahydrate: an application of anomalous dispersion patterson methods","Acta Crystallographica B (24,1968-38,1982)","1975","31","2","354","358","10.1107/S0567740875002798","","","","","","","","","","","","","","","","","","","","","has coordinates","189124","2020-10-21","18:00:00",""
"2106598","9.4845","","14.6836","","3.4355","","90","","90","","90","","478.45","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H N O3 (H2 O)3","","- H7 N O6 -","- H7 N O6 -","- H28 N4 O24 -","4","1","","Taesler, I.; Delaplane, R.G.; Olovsson, I.","Hydrogen bond studies. XCIV. Diaquaoxonium ion in nitric acid trihydrate","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1489","1492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106658","8.815","","18.639","","5.934","","90","","90","","90","","974.973","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Co Cl2 (N H3)4 H S O4","","- Cl2 Co H13 N4 O4 S -","- Cl2 Co H13 N4 O4 S -","- Cl8 Co4 H52 N16 O16 S4 -","4","1","","Bonapace, J.A.P.; Mandel, N.S.","Trans-dichlorotetraamminecobalt(III) bisulfate","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2540","2542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106701","6.66","","16.7","","6.538","","90","","90","","90","","727.169","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Tl2 S5","","- S5 Tl2 -","- S5 Tl2 -","- S20 Tl8 -","4","1","","Leclerc, B.; Kabre, T.S.","Structure cristalline du sulfure de thallium Tl2 S5","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1675","1677","","","","","","","","","","","","","","","","","","","","","","has coordinates","155334","2020-10-21","18:00:00",""
"2106710","20.929","","10.44","","4.015","","90","","90","","90","","877.273","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bi2 Cu3 S4 Br","","- Bi2 Br Cu3 S4 -","- Bi2 Br Cu3 S4 -","- Bi8 Br4 Cu12 S16 -","4","1","","Mariolacos, K.; Kupcik, V.","Die Kristallstruktur des Bi2 Cu3 S4 Br","Acta Crystallographica B (24,1968-38,1982)","1975","31","","1762","1763","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106761","6.88","","13.79","","4.18","","90","","90","","90","","396.578","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Ag Er Se2 -","- Ag Er Se2 -","- Ag4 Er4 Se8 -","4","1","","Julien-Pouzol, M.; Laruelle, P.","Structure cristalline de Er Ag Se2","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1510","1512","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106838","8.591","","20.84","","5.233","","90","","90","","90","","936.898","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Y2 (W O6)","","- O6 W Y2 -","- O6 W Y2 -","- O48 W8 Y16 -","8","2","","Beaury, O.; Faucher, M.; Teste de Sagey, G.","The structure of yttrium tungstate epsilon-Y2 W O6","Acta Crystallographica B (24,1968-38,1982)","1981","37","","1166","1170","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107062","7.275","","11.384","","6.606","","90","","90","","90","","547.1","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Na (H2 P O4) (H2 O)2","","- H6 Na O6 P -","- H6 Na O6 P -","- H24 Na4 O24 P4 -","4","1","","Bartl, H.; Catti, M.; Ferraris, G.","Hydrogen bonding in the cristalline state. The crystal structure of Na H2 P O4 (H2 O) by X-ray and neutron diffraction","Acta Crystallographica B (24,1968-38,1982)","1976","32","","987","994","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107212","9.53","","29.79","","9.11","","90","","90","","90","","2586.32","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(C (N H2)3)5 (Th (C O3)3 F3)","","- C8 H30 F3 N15 O9 Th -","- C8 F3 N15 O9 Th -","- C32 F12 N60 O36 Th4 -","4","1","","Voliotis, S.","Etude Structurale des Carbonates Complexes de Thorium et de Cerium. V. Structure Cristalline du Tricarbonatotrifluorothorate (IV) de Guanidinium, (C (N H2)3)5 (Th (C O3)3 F3)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","2899","2904","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107263","11.987","","8.272","","4.331","","90","","90","","90","","429.447","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ce O (S O4) (H2 O)","","- Ce H2 O6 S -","- Ce O6 S -","- Ce4 O24 S4 -","4","1","","Lindgren, O.","Cerium(IV) oxide sulphate hydrate, a new refinement","Acta Crystallographica B (24,1968-38,1982)","1976","32","","3347","3348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107310","20.121","","19.82","","13.438","","90","","90","","90","","5359.05","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Si24 O48) ((C H3)2 (C6 H4))2","","- C16 H20 O48 Si24 -","- C16 O48 Si24 -","- C64 O192 Si96 -","4","1","","van Koningsveld, H.; Jansen, J.C.; van Bekkum, H.; Tuinstra, F.","The location of p-xylene in a single crystal of zeolite H-ZSM 5 with a new , sorbate-induced, orthorhombic framework symmetry","Acta Crystallographica B (39,1983-)","1989","45","","423","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","172029","2020-10-21","18:00:00",""
"2107335","19.07","","10.42","","8.98","","90","","90","","90","","1784.41","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ni (S C (N H2)2)4 S2 O3 H2 O","","- C4 H18 N8 Ni O4 S6 -","- C4 H18 N8 Ni O4 S6 -","- C16 H72 N32 Ni4 O16 S24 -","4","1","","Gasparri, G.F.; Mangia, A.; Musatti, A.; Nardelli, M.","The Crystal and Molecular Structure of Tetra(thiourea)nickel(II) Thiosulphate Monohydrate","Acta Crystallographica B (24,1968-38,1982)","1969","25","","203","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107342","16.198","","13.842","","9.963","","90","","90","","90","","2233.83","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((Co (N H3)5)2 O2) H3 (S O4)4","","- Co2 H33 N10 O18 S4 -","- Co2 H33 N10 O18 S4 -","- Co8 H132 N40 O72 S16 -","4","1","","Schaefer, W.P.; Ealick, S.E.; Marsh, R.E.","A reinvestigation of the structure of mue-hyperoxo-bis(pentaamminecobalt) tris(hydrogensulfate) monosulfate at room temperature and at 17 K","Acta Crystallographica B (24,1968-38,1982)","1981","37","","34","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107386","8.74","","8.74","","14.52","","90","","90","","90","","1109.15","","","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(Co (S C N) (N H3)5) Cl2 H2 O","","- C H17 Cl2 Co N6 O S -","- C H17 Cl2 Co N6 O S -","- C4 H68 Cl8 Co4 N24 O4 S4 -","4","1","","Snow, M.R.; Boomsma, R.F.","The crystal structures and isomerisation of the linkage isomers thiocyanato- and isothiocyanatopenta-amminecobalt(III) dichloride, (Co (S C N) (N H3)5) Cl2 H2 O and (Co (N C S) (N H3)5) Cl","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1908","1913","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2107404","9.223","","9.223","","10.536","","90","","90","","90","","896.231","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(N2 H5)3 (Cr F6)","","- Cr F6 H15 N6 -","- Cr F6 N6 -","- Cr4 F24 N24 -","4","1","","Kojic-Prodic, B.; Liminga, R.; Scavnicar, S.; Sljukic, M.","The crystal structure of trihydrazinium hexafluorochromate, (N2 H5)3 Cr F6","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2028","2032","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107407","8.703","","8.197","","8.613","","90","","90","","90","","614.438","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cu Li (P O3)3","","- Cu Li O9 P3 -","- Cu Li O9 P3 -","- Cu4 Li4 O36 P12 -","4","1","","Laugt, M.; Tordjman, I.; Guitel, J.C.; Roudaut, M.","Structure cristalline du polyphosphate de cuivre-lithium Cu Li (P O3)3","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2352","2358","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107409","11.055","","12.278","","5.785","","90","","90","","90","","785.217","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ba Na (P3 O9)","","- Ba Na O9 P3 -","- Ba Na O9 P3 -","- Ba4 Na4 O36 P12 -","4","1","","Martin, C.; Mitschler, A.","Structure cristalline du trimetaphosphate de baryum sodium Ba Na P3 O9","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2348","2352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107410","10.363","","13.292","","6.88","","90","","90","","90","","947.686","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","K2 (Ru (N O) Cl5)","","- Cl5 K2 N O Ru -","- Cl5 K2 N O Ru -","- Cl20 K8 N4 O4 Ru4 -","4","1","","Veal, J.T.; Hodgson, D.J.","The crystal and molecular structure of Potassium pentachloronitrosylruthenate(II), K2 (Ru (N O) Cl5)","Acta Crystallographica B (24,1968-38,1982)","1972","28","","3525","3529","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107417","4.66","","7.79","","12.97","","90","","90","","90","","470.829","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H3 Si O Si H3","","- H6 O Si2 -","- H6 O Si2 -","- H24 O4 Si8 -","4","1","","Barrow, M.J.; Harding, M.M.; Ebsworth, E.A.V.","The Crystal and Molecular Structures of Disiloxane (at 108 K) and Hexamethyldisiloxane (at 148 K)","Acta Crystallographica B (24,1968-38,1982)","1979","35","","2093","2099","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107631","6.6114","0.0003","20.4778","0.001","24.6057","0.0012","90","","90","","90","","3331.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl N -","- C11 H20 Cl N -","- C132 H240 Cl12 N12 -","12","3","","Mohamed, Sharmarke; Karothu, Durga Prasad; Naumov, Panče","Using crystal structure prediction to rationalize the hydration propensities of substituted adamantane hydrochloride salts","Acta Crystallographica Section B","2016","72","4","551","561","10.1107/S2052520616006326","","","1.54178","CuKα","","0.0512","0.0481","","","0.1145","0.1162","","","","","","1.06","","","","has coordinates,has Fobs","185006","2020-10-21","18:00:00",""
"2107638","12.9577","0.0005","13.0369","0.0004","16.3908","0.0005","90","","90","","90","","2768.87","0.16","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ethyl ester of glycyrrhetinic acid","ethyl-3/b-hydroxy-11-oxoolean-12-en-30-oate","","- C32 H50 O4 -","- C32 H50 O4 -","- C128 H200 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa","Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules","Acta Crystallographica Section B","2016","72","4","584","592","10.1107/S2052520616008180","","","0.71073","MoKα","","0.0631","0.0427","","","0.0697","0.0749","","","","","","0.923","","","","has coordinates,has Fobs","184762","2020-10-21","18:00:00",""
"2107639","11.7789","0.0002","13.0812","0.0003","18.7845","0.0004","90","","90","","90","","2894.36","0.1","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","isopropyl ester of glycyrrhetinic acid","isopropyl-3/b-hydroxy-11-oxoolean-12-en-30-oate","","- C33 H52 O4 -","- C33 H52 O4 -","- C132 H208 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa","Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules","Acta Crystallographica Section B","2016","72","4","584","592","10.1107/S2052520616008180","","","1.54184","CuKα","","0.0566","0.0526","","","0.139","0.1436","","","","","","1.076","","","","has coordinates,has Fobs","184762","2020-10-21","18:00:00",""
"2107640","12.87","0.0001","13.6972","0.0002","18.5682","0.0003","90","","90","","90","","3273.26","0.08","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-etylmorpholine ester of glycyrrhetinic acid","2-(morpholin-4-yl)ethyl-3/b-hydroxy-11-oxoolean-12-en-30-oate","","- C36 H57 N O5 -","- C36 H57 N O5 -","- C144 H228 N4 O20 -","4","1","","Langer, Dominik; Wicher, Barbara; Szczołko, Wojciech; Gdaniec, Maria; Tykarska, Ewa","Self-assembly modes of glycyrrhetinic acid esters in view of the crystal packing of related triterpene molecules","Acta Crystallographica Section B","2016","72","4","584","592","10.1107/S2052520616008180","","","1.54178","CuKα","","0.0406","0.0388","","","0.1075","0.1096","","","","","","1.042","","","","has coordinates,has Fobs","184762","2020-10-21","18:00:00",""
"2107963","8.2134","0.0011","12.2105","0.0011","21.052","0.003","90","","90","","90","","2111.3","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N6 -","- C24 H22 N6 -","- C96 H88 N24 -","4","1","","Raghavaiah, P.; Kuladeep, R.; Narayana Rao, D.; Jyothi Lakshmi, A.; Srujana, P.; Subbalakshmi, J.","<i>Bis</i>-(1-(2-aminoethyl)piperidino), (2-(2-aminoethyl)pyridino) and (1-(2-aminoethyl)pyrrolidino)-substituted dicyanoquinodimethanes: consequences of flexible ethylene spacers with heterocyclic moieties and amine functionalities","Acta Crystallographica Section B","2016","72","5","709","715","10.1107/S2052520616009537","","","0.71073","MoKα","","0.1534","0.071","","","0.0907","0.1228","","","","","","0.951","","","","has coordinates,has Fobs","186967","2020-10-21","18:00:00",""
"2107966","5.6366","0.0004","11.0112","0.0008","17.8309","0.0014","90","","90","","90","","1106.69","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 S Si -","- C9 H16 S Si -","- C36 H64 S4 Si4 -","4","1","PS5052","Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes","Crystal chemistry of trialkylsilyl-capped (3<i>Z</i>)-4-(methylthio)-3-penten-1-yne: polymorphism, twinning and ambiguity of order‒disorder descriptions","Acta Crystallographica Section B","2016","72","5","753","762","10.1107/S2052520616010969","","","0.71073","MoKα","","0.03","0.0247","","","0.0276","0.0281","","","","","","1.52","","","","has coordinates,has Fobs","186841","2020-10-21","18:00:00",""
"2108052","6.901","0.005","12.371","0.008","28.674","0.018","90","","90","","90","","2448","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O11 S3 -","- C20 H24 N2 O11 S3 -","- C80 H96 N8 O44 S12 -","4","1","XK5034","Ikemoto, Kazuto; Mori, Shigeki; Mukai, Kazuo","Synthesis and crystal structure of pyrroloquinoline quinol (PQQH~2~) and pyrroloquinoline quinone (PQQ)","Acta Crystallographica Section B","2017","73","3","489","497","10.1107/S2052520617002281","","","0.71075","MoKα","","0.0838","0.0698","","","0.1701","0.1852","","","","","","1.044","","","","has coordinates,has Fobs","199045","2020-10-21","18:00:00",""
"2108066","11.1281","0.001","11.152","0.001","32.85","0.003","90","","90","","90","","4076.7","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H38 Cr6 N4 O35 U4 -","- C8 H38 Cr6 N4 O35 U4 -","- C32 H152 Cr24 N16 O140 U16 -","4","1","","Siidra, Oleg; Nazarchuk, Evgeny; Bocharov, Sergey; Depmeier, Wulf; Zadoya, Anastasiya","Formation of co-racemic uranyl chromate constructed from chiral layers of different topology","Acta Crystallographica Section B","2017","73","1","101","111","10.1107/S205252061601917X","","","0.71073","MoKα","","0.0563","0.049","","","0.1071","0.1108","","","","","","1.065","","","","has coordinates,has Fobs","199048","2020-10-21","18:00:00",""
"2108117","8.4086","0.0005","9.787","0.0005","11.0477","0.0006","90","","90","","90","","909.17","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H14 N2 O4 S2 -","- C3 H14 N2 O4 S2 -","- C12 H56 N8 O16 S8 -","4","1","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0427","0.0382","","","0.0905","0.093","","","","","","1.061","","","","has coordinates,has Fobs","199062","2020-10-21","18:00:00",""
"2108118","8.3714","0.0006","9.7607","0.001","10.9874","0.0012","90","","90","","90","","897.79","0.15","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H14 N2 O4 S2 -","- C3 H14 N2 O4 S2 -","- C12 H56 N8 O16 S8 -","4","1","EB5057","Brozdowska, Agnieszka; Chojnacki, Jarosław","Chiral and achiral crystals, charge-assisted hydrogen-bond patterns and self-organization of selected solid diaminium thiosulfates","Acta Crystallographica Section B","2017","73","3","507","518","10.1107/S2052520617004802","","","0.71073","MoKα","","0.0515","0.0443","","","0.1018","0.1078","","","","","","1.044","","","","has coordinates,has Fobs","199062","2020-10-21","18:00:00",""
"2108150","8.063","0.0003","10.4358","0.0005","16.0092","0.0007","90","","90","","90","","1347.08","0.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","LC5080","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","0.71073","MoKα","","0.0124","0.011","","","0.0141","0.0141","","","","","","0.844","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108151","8.0754","0.0016","10.387","0.002","16","0.003","90","","90","","90","","1342.1","0.4","10","","10","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","","neutron","","0.0827","0.0811","","","0.0868","0.0885","","","","","","2.74","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108152","8.0778","0.0002","10.4023","0.0003","16.0137","0.0004","90","","90","","90","","1345.59","0.06","10","","10","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","0.71073","MoKα","","0.0154","0.0148","","","0.018","0.018","","","","","","0.836","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108153","8.067","0.0002","10.4871","0.0003","16.0561","0.0004","90","","90","","90","","1358.34","0.06","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","0.71073","MoKα","","0.0232","0.0171","","","0.0185","0.0185","","","","","","0.893","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108154","8.0835","0.0002","10.5221","0.0003","16.0738","0.0004","90","","90","","90","","1367.16","0.06","300","","300","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 K N2 O9 P -","- C9 H12 K N2 O9 P -","- C36 H48 K4 N8 O36 P4 -","4","1","","Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof","Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling","Acta Crystallographica Section B","2017","73","4","550","564","10.1107/S2052520617005534","","","0.71073","MoKα","","0.0336","0.0194","","","0.0222","0.0222","","","","","","1.043","","","","has coordinates","199407","2020-10-21","18:00:00",""
"2108155","5.6052","0.0003","8.5753","0.0004","22.881","0.001","90","","90","","90","","1099.8","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C52 H36 N4 O20 -","4","1","","Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Kumar, Binay","X-ray, dielectric, piezoelectric and optical analyses of a new nonlinear optical 8-hydroxyquinolinium hydrogen squarate crystal","Acta Crystallographica Section B","2018","74","1","12","23","10.1107/S2052520617013038","","","0.71073","MoKα","","0.1038","0.0542","","","0.0912","0.1127","","","","","","1.042","","","","has coordinates","206143","2020-10-21","18:00:00",""
"2108159","4.619","0.005","8.479","0.017","14.38","0.03","90","","90","","90","","563.2","1.7","293","2","293","2","1.8","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- H3 O4 P -","- H3 O4 P -","- H24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","","","0.71073","MoKα","","0.169","0.1219","","","0.2702","0.3223","","","","","","1.104","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108169","4.6648","0.0004","8.6057","0.0007","14.5932","0.0011","90","","90","","90","","585.83","0.08","295","","295","","0.86","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1366","","1.32","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108170","4.6494","0.0005","8.558","0.0009","14.5078","0.0014","90","","90","","90","","577.26","0.1","295","","295","","1.24","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1263","","1.34","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108171","4.6332","0.0006","8.5169","0.001","14.4323","0.0015","90","","90","","90","","569.51","0.12","295","","295","","1.65","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0979","","1.31","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108172","4.6206","0.0005","8.481","0.0009","14.388","0.0014","90","","90","","90","","563.83","0.1","295","","295","","1.97","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1002","","1.2","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108173","4.6022","0.0005","8.4597","0.0009","14.3291","0.0014","90","","90","","90","","557.88","0.1","295","","295","","2.32","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1086","","1.2","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108174","4.598","0.0006","8.4429","0.001","14.3036","0.0016","90","","90","","90","","555.27","0.12","295","","295","","2.45","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1559","","1.02","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108175","4.5932","0.0005","8.4323","0.0008","14.2795","0.0013","90","","90","","90","","553.06","0.09","295","","295","","2.63","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0949","","1.23","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108176","4.5868","0.0007","8.4232","0.0013","14.2653","0.0019","90","","90","","90","","551.15","0.14","295","","295","","2.78","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1234","","0.96","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108177","4.5831","0.0005","8.411","0.0009","14.2424","0.0014","90","","90","","90","","549.02","0.1","295","","295","","2.91","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0952","","1.2","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108178","4.5791","0.0008","8.4031","0.0014","14.2214","0.0021","90","","90","","90","","547.22","0.15","295","","295","","3.04","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.156","","1","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108179","4.5689","0.0007","8.3733","0.0012","14.1755","0.0018","90","","90","","90","","542.31","0.13","295","","295","","3.42","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1236","","1.07","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108180","4.5639","0.0006","8.3606","0.001","14.1535","0.0015","90","","90","","90","","540.05","0.11","295","","295","","3.6","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1029","","1.2","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108181","4.5599","0.0009","8.3496","0.0015","14.1332","0.0023","90","","90","","90","","538.1","0.17","295","","295","","3.74","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1292","","1.01","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108182","4.5549","0.0007","8.3362","0.0012","14.1067","0.0018","90","","90","","90","","535.64","0.13","295","","295","","3.96","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.1104","","1.14","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108183","4.5456","0.0007","8.3104","0.0013","14.0631","0.0019","90","","90","","90","","531.24","0.14","295","","295","","4.36","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.106","","1.17","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108184","4.5338","0.0007","8.2726","0.0012","13.9867","0.0018","90","","90","","90","","524.59","0.13","295","","295","","5.02","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0868","","1.27","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108185","4.5214","0.0006","8.2332","0.0011","13.9189","0.0016","90","","90","","90","","518.14","0.11","295","","295","","5.66","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0562","","1.09","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108186","4.5121","0.0007","8.2009","0.0012","13.8569","0.0017","90","","90","","90","","512.75","0.13","295","","295","","6.26","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","Phosphoric acid","Phosphoric acid","","- D3 O4 P -","- D3 O4 P -","- D24 O32 P8 -","8","2","","Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R.","A new high-pressure polymorph of phosphoric acid","Acta Crystallographica Section B","2017","73","6","1068","1074","10.1107/S205252061701441X","powder diffraction","","","Neutron","","","","","","","","0.0511","","1.06","","","","","","","has coordinates","205692","2020-10-21","18:00:00",""
"2108196","6.2287","0.0001","8.9737","0.0003","25.9694","0.0007","90","","90","","90","","1451.55","0.07","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0404","0.0324","","","0.0688","0.0727","","","","","","1.039","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108200","9.8689","0.0002","10.6838","0.0002","13.6421","0.0002","90","","90","","90","","1438.39","0.04","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.7107","MoKα","","0.0362","0.0311","","","0.0739","0.077","","","","","","1.057","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108202","10.0987","0.0004","11.0883","0.0004","12.0825","0.0005","90","","90","","90","","1352.97","0.09","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C56 H64 N8 O8 S4 -","4","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.71073","MoKα","","0.0305","0.0277","","","0.0674","0.0689","","","","","","1.068","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108203","7.7112","0.0007","11.6576","0.0012","14.8171","0.0014","90","","90","","90","","1332","0.2","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C56 H64 N8 O8 S4 -","4","1","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.71073","MoKα","","0.0403","0.0348","","","0.0788","0.082","","","","","","1.042","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108204","13.4996","0.0005","14.5841","0.0005","20.5461","0.0008","90","","90","","90","","4045.1","0.3","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C168 H192 N24 O24 S12 -","12","3","","Budesinsky, Milos; Cisarova, Ivana; Borremans, Frans; Martins, Jose C.; Pauwels, Ewald","Solid-state structure of cyclic dipeptides: an X-ray and computational study of <i>cis-</i> and <i>trans</i>-diketopiperazines of <i>N</i>-methyl-phenylalanine with the thia-pipecolic acids and thia-prolines","Acta Crystallographica Section B","2017","73","6","1179","1193","10.1107/S2052520617014731","","","0.71073","MoKα","","0.0502","0.039","","","0.0944","0.1023","","","","","","1.064","","","","has coordinates,has Fobs","205697","2020-10-21","18:00:00",""
"2108253","5.341","0.003","13.536","0.006","21.406","0.008","90","","90","","90","","1547.6","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Val-L-Leu","(S)-2-((S)-2-Amino-3-methyl-butyrylamino)-4-methyl-pentanoic acid acetonitrile solvate","","- C13 H25 N3 O3 -","- C13 H25 N3 O3 -","- C52 H100 N12 O12 -","4","1","","Görbitz, Carl Henrik","Hydrophobic dipeptides: the final piece in the puzzle","Acta Crystallographica Section B","2018","74","3","311","318","10.1107/S2052520618007151","","","0.71073","MoKα","","0.1615","0.0816","","","0.1576","0.1837","","","","","","1.014","","","","has coordinates,has Fobs","208048","2020-10-21","18:00:00",""
"2108254","54.631","0.003","8.004","0.0002","6.5754","0.0003","90","","90","","90","","2875.2","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,4,6-tris((E)-2-(4-(dimethylamino)phenyl)ethenyl)-1,3,5-triazine","","- C33 H36 N6 -","- C33 H36 N6 -","- C132 H144 N24 -","4","1","","Gorelik, Tatiana E.; van de Streek, Jacco; Meier, Herbert; Andernach, Lars; Opatz, Till","Crystal structure analysis of a star-shaped triazine compound: a combination of single-crystal three-dimensional electron diffraction and powder X-ray diffraction","Acta Crystallographica Section B","2018","74","3","287","294","10.1107/S2052520618006686","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.965782","1.2092","","","","","","","has coordinates","208049","2020-10-21","18:00:00",""
"2108261","6.1147","0.0004","7.9668","0.0005","19.4856","0.0013","90","","90","","90","","949.23","0.11","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N -","- C12 H13 N -","- C48 H52 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0926","0.0557","","","0.1253","0.1423","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108276","6.1937","0.0006","7.4492","0.0008","19.92","0.002","90","","90","","90","","919.07","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F N -","- C12 H12 F N -","- C48 H48 F4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0548","0.0437","","","0.1035","0.1087","","","","","","1.07","","","","has coordinates,has Fobs","209231","2020-10-21","18:00:00",""
"2108277","6.0226","0.0004","7.8459","0.0006","20.1968","0.0014","90","","90","","90","","954.35","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F N -","- C12 H12 F N -","- C48 H48 F4 N4 -","4","1","","Shukla, Rahul; Singh, Paramveer; Panini, Piyush; Chopra, Deepak","Similarities and differences in the crystal packing of halogen-substituted indole derivatives","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618008090","","","0.71073","MoKα","","0.0638","0.0473","","","0.1088","0.1156","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","209231","2020-10-21","18:00:00",""
"2108292","6.71198","0.00009","13.3641","0.00017","19.5439","0.0003","90","","90","","90","","1753.08","0.04","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 Ca O15 -","- C12 H24 Ca O15 -","- C48 H96 Ca4 O60 -","4","1","","Bugris, V.; Dudás, Cs.; Kutus, B.; Harmat, V.; Csankó, K.; Brockhauser, S.; Pálinkó, I.; Turner, Peter; Sipos, P.","Crystal and solution structures of calcium complexes relevant to problematic waste disposal: calcium gluconate and calcium isosaccharinate","Acta Crystallographica Section B","2018","74","6","","","10.1107/S2052520618013720","","","0.71073","MoKα","","0.0254","0.0233","","","0.0565","0.0572","","","","","","1.191","","","","has coordinates,has Fobs","212029","2020-10-21","18:00:00",""
"2108357","6.6235","0.0003","9.4208","0.0004","12.5188","0.0005","90","","90","","90","","781.16","0.06","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H3 Cu F N4 O2 -","- C6 H3 Cu F N4 O2 -","- C24 H12 Cu4 F4 N16 O8 -","4","1","","Ming, Mei; Shi, Jun","Solvent-mediated structural transformations of copper(II) coordination polymers induced by different short-chain alcohols","Acta Crystallographica Section B","2019","75","1","","","10.1107/S2052520618017481","","","0.71073","MoKα","","0.019","0.0183","","","0.0435","0.0438","","","","","","1.041","","","","has coordinates","213283","2020-10-21","18:00:00",""
"2108382","7.0653","0.0002","11.8351","0.0003","17.6593","0.0005","90","","90","","90","","1476.64","0.07","325","2","325","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tapentadol","(2R,3R)-3-(3-Hydroxyphenyl)-N,N,2-trimethylpentan-1-aminium","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","1","","Gaztañaga, Pablo; Baggio, Ricardo; Halac, Emilia; Vega, Daniel R.","Thermal, spectroscopic and structural analysis of a thermosalient phase transformation in tapentadol hydrochloride","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001148","","","0.71073","MoKα","","0.0754","0.0452","","","0.0906","0.1027","","","","","","0.896","","","","has coordinates,has Fobs","214142","2020-10-21","18:00:00",""
"2108387","11.77","0.008","14.079","0.01","16.502","0.012","90","","90","","90","","2735","3","273","","273","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N5 O4 -","- C28 H29 N5 O4 -","- C112 H116 N20 O16 -","4","1","","Han, Yang; Fu, Qiang; Zhang, Peng; Guan, Hongyu; Guo, Fang","Acid‒ammonium heterodimer and N~(ammonium)~‒H···N~(pyridine)~ synthon preference in three salts of nicotinic acid with (1<i>R</i>,2<i>R</i>)-1,2-diphenylethylenediamine","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619000477","","","0.71076","MoKα","","0.0477","0.0386","","","0.0985","0.1053","","","","","","1.021","","","","has coordinates,has Fobs","214247","2020-10-21","18:00:00",""
"2108390","12.3717","0.0002","17.4352","0.0003","17.6607","0.0003","90","","90","","90","","3809.47","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H86 I8 O43 Sr4 -","- C36 H86 I8 O43 Sr4 -","- C72 H172 I16 O86 Sr8 -","2","0.5","","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo","Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001951","","x-ray","1.54184","CuKα","","0.0363","0.0321","","","0.0798","0.0826","","","","","","1.031","","","","has coordinates,has Fobs","214248","2020-10-21","18:00:00",""
"2108391","9.1192","0.0003","13.0908","0.0005","13.5504","0.0008","90","","90","","90","","1617.61","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 I2 O9 Sr -","- C6 H18 I2 O9 Sr -","- C24 H72 I8 O36 Sr4 -","4","1","","Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo","Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties","Acta Crystallographica Section B","2019","75","2","","","10.1107/S2052520619001951","","x-ray","0.71073","MoKα","","0.0519","0.0389","","","0.074","0.08","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","214248","2020-10-21","18:00:00",""
"2108428","18.5453","0.0015","30.1766","0.0025","39.798","0.004","90","","90","","90","","22272","3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C149 N30 O78 S6 -","- C149 N30 O78 S6 -","- C596 N120 O312 S24 -","4","1","","Fili, Stavroula; Valmas, Alexandros; Spiliopoulou, Maria; Kontou, Paraskevi; Fitch, Andrew; Beckers, Detlef; Degen, Thomas; Barlos, Kleomenis; Barlos, Kostas K.; Karavassili, Fotini; Margiolaki, Irene","Revisiting the structure of a synthetic somatostatin analogue for peptide drug design","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619006012","powder diffraction","x-ray","1.29995","","","","","","","","","0.31202","","8.9","","","","","","","has coordinates","215999","2020-10-21","18:00:00",""
"2108459","8.6793","0.0004","9.0674","0.0004","10.6085","0.0004","90","","90","","90","","834.87","0.06","100","1","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hippuric Acid","Benzoylaminoethanoic acid","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C36 H36 N4 O12 -","4","1","","Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood","Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007911","","","0.71073","MoKα","","0.0281","0.0281","","","0.0407","0.0425","","","","","","0.965","","","","has coordinates,has Fobs","217347","2020-10-21","18:00:00",""
"2108460","8.6793","0.0004","9.0674","0.0004","10.6085","0.0004","90","","90","","90","","834.87","0.06","100","1","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hippuric Acid","Benzoylaminoethanoic acid","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C36 H36 N4 O12 -","4","1","","Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood","Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007911","","","0.71073","MoKα","","0.0405","0.0405","","","0.1012","0.1013","","","","","","1.082","","","","has coordinates,has Fobs","217347","2020-10-21","18:00:00",""
"2108461","8.6793","0.0004","9.0674","0.0004","10.6085","0.0004","90","","90","","90","","834.87","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hippuric Acid","Benzoylaminoethanoic acid","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C36 H36 N4 O12 -","4","1","","Hasil, Asma; Mehmood, Arshad; Ahmed, Maqsood","Experimental and theoretical charge-density analysis of hippuric acid: insight into its binding with human serum albumin","Acta Crystallographica Section B","2019","75","4","","","10.1107/S2052520619007911","","","0.71073","MoKα","","0.0513","0.0363","","","0.0942","0.1067","","","","","","1.107","","","","has coordinates,has Fobs","217347","2020-10-21","18:00:00",""
"2108512","7.2015","0.0001","12.2326","0.0001","21.3487","0.0003","90","","90","","90","","1880.67","0.04","297.56","0.16","297.56","0.16","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Lee, Min-Jeong; Aitipamula, Srinivasulu; Choi, Guang J.; Chow, Pui Shan","Agomelatine‒hydroquinone (1:1) cocrystal: novel polymorphs and their thermodynamic relationship","Acta Crystallographica Section B","2019","75","6","","","10.1107/S2052520619011739","","x-ray","1.54184","CuKα","","0.0472","0.046","","","0.1212","0.1234","","","","","","1.049","","","","has coordinates,has Fobs","223447","2020-10-21","18:00:00",""
"2108590","16.3296","0.0002","16.3759","0.0004","31.1186","0.0005","90","","90","","90","","8321.5","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>,6<i>aS</i>,7<i>R</i>, 7<i>aR</i>,8<i>R</i>,9<i>S</i>,10<i>S</i>,11<i>S</i>,11<i>aR</i>, 12<i>R</i>,12<i>aR</i>,13<i>R</i>,14<i>S</i>)-1-ethyl-4,8,9,11,11a-pentahydroxy -6,10,13-trimethoxy-3-(methoxymethyl)tetradecahydro-2<i>H</i>-3,6a,12- (epiethane[1,1,2]triyl)-7, 9-methanonaphtho[2,3-<i>b</i>]azocin-1-ium chloride monohydrate","","- C25 H44 Cl N O10 -","- C25 H44 Cl N O10 -","- C300 H528 Cl12 N12 O120 -","12","3","RM5026","Li, Han-qing; Xu, Jia-yin; Gao, Yuan-yuan; Jin, Liang; Chen, Jian-ming; Chen, Feng-zheng","Supramolecular structure, <i>in vivo</i> biological activities and molecular-docking-based potential cardiotoxic exploration of aconine hydrochloride monohydrate as a novel salt form","Acta Crystallographica Section B","2020","76","2","","","10.1107/S2052520620001250","","x-ray","0.71073","MoKα","","0.0538","0.0431","","","0.098","0.1033","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","249434","2020-10-21","18:00:00",""
"2108675","6.428","0.003","6.987","0.003","52.001","0.009","90","","90","","90","","2335.5","1.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 F N3 O8 -","- C23 H28 F N3 O8 -","- C92 H112 F4 N12 O32 -","4","1","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.1661","0.1428","","","0.3683","0.3967","","","","","","1.652","","","","has coordinates,has Fobs","256764","2020-10-21","18:00:00",""
"2108676","4.7535","0.0003","15.801","0.0006","29.855","0.0011","90","","90","","90","","2242.41","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F N3 O8 -","- C23 H26 F N3 O8 -","- C92 H104 F4 N12 O32 -","4","1","","Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J.","Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties","Acta Crystallographica Section B","2020","76","5","","","10.1107/S2052520620010896","","x-ray","1.54184","CuKα","","0.0534","0.0418","","","0.1114","0.1216","","","","","","1.021","","","","has coordinates","256764","2020-10-21","18:00:00",""
"2108689","7.4313","0.0001","9.6383","0.0001","29.8978","0.0003","90","","90","","90","","2141.43","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O2 -","- C26 H33 N O2 -","- C104 H132 N4 O8 -","4","1","","Korlyukov, Alexander A.; Vologzhanina, Anna V.; Trzybinski, Damian; Malinska, Maura; Wozniak, Krzysztof","Charge density analysis of abiraterone acetate","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013244","","x-ray","0.71073","MoKα","","0.0598","0.0555","","","0.1246","0.1268","","","","","","1.067","","","","has coordinates","259106","2020-11-12","05:13:46",""
"2108690","7.4313","0.0001","9.6383","0.0001","29.8978","0.0003","90","","90","","90","","2141.43","0.04","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","abiraterone acetate","17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate","","- C26 H33 N O2 -","- C26 H33 N O2 -","- C104 H132 N4 O8 -","4","1","","Korlyukov, Alexander A.; Vologzhanina, Anna V.; Trzybinski, Damian; Malinska, Maura; Wozniak, Krzysztof","Charge density analysis of abiraterone acetate","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013244","","","0.71073","MoKα","","0.043","0.04","","","","0.031","","","","","","1.58","","","","has coordinates,has Fobs","259106","2020-11-12","05:13:47",""
"2108731","5.1732","0.0018","8.286","0.003","22.264","0.008","90","","90","","90","","954.3","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-Methylhippuric acid polymorph I","2-[(4-Methylbenzoyl)amino]ethanoic acid","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Guillén, Marilia; Mora, Asiloé J.; Belandria, Lusbely M.; Seijas, Luis E.; Ramírez, Jeans W.; Burgos, José L.; Rincón, Luis; Delgado, Gerzon E.","Two conformational polymorphs of 4-methylhippuric acid","Acta Crystallographica Section B","2020","76","6","","","10.1107/S2052520620013773","","","0.71073","MoKα","","0.0296","0.027","","","0.0692","0.0713","","","","","","1.031","","","","has coordinates,has Fobs","259229","2020-11-24","05:14:06",""
"2108758","8.2707","0.0002","8.9022","0.0002","8.9217","0.0002","90","","90","","90","","656.88","0.03","122.98","0.1","122.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Xylitol","(2<i>R</i>,3<i>R</i>,4<i>S</i>)-Pentane-1,2,3,4,5-pentol","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Wanat, Monika; Malinska, Maura; Gutmann, Matthias J.; Cooper, Richard I.; Wozniak, Krzysztof","HAR, TAAM and BODD refinements of model crystal structures using Cu~<i>K</i>α and Mo~<i>K</i>α X-ray diffraction data","Acta Crystallographica Section B","2021","77","1","","","10.1107/S2052520620014936","","x-ray","1.54184","CuKα","","0.0283","0.0281","","","0.0763","0.0768","","","","","","1.092","","","","has coordinates,has Fobs","261217","2021-01-26","05:42:10",""
"2108772","8.2993","0.0003","8.9697","0.0004","8.9693","0.0004","90","","90","","90","","667.69","0.05","286","0.1","286","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","UM5047","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","x-ray","0.71073","MoKα","","0.0369","0.0328","","","0.0754","0.0788","","","","","","1.064","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108773","8.2694","0.0003","8.9403","0.0012","8.8438","0.0009","90","","90","","90","","653.83","0.11","296","1","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0282","0.0241","","","0.0538","0.0566","","","","","","1.122","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108774","8.2305","0.0002","8.8992","0.0011","8.7624","0.0008","90","","90","","90","","641.8","0.1","296","1","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0263","0.0236","","","0.0575","0.0596","","","","","","1.127","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108775","8.2213","0.0004","8.883","0.002","8.7242","0.0017","90","","90","","90","","637.13","0.19","296","1","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0235","0.0227","","","0.0509","0.0515","","","","","","1.209","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108776","8.204","0.002","8.854","0.002","8.6809","0.0007","90","","90","","90","","630.6","0.2","296","0.5","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0512","0.0339","","","0.0681","0.0765","","","","","","1.087","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108777","8.154","0.0005","8.7964","0.0016","8.561","0.0019","90","","90","","90","","614.04","0.18","296","0.6","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0568","0.0395","","","0.0583","0.0634","","","","","","1.09","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108778","8.105","0.009","8.752","0.006","8.462","0.002","90","","90","","90","","600.3","0.8","296","0.1","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.1025","0.0544","","","0.1187","0.1382","","","","","","1.036","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108779","8.0845","0.0008","8.67","0.02","8.3725","0.0011","90","","90","","90","","586.9","1.4","296","0.2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0811","0.0409","","","0.0726","0.0879","","","","","","1.215","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108780","8.0696","0.0015","8.65","0.05","8.309","0.002","90","","90","","90","","580","3","296","0.2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0965","0.052","","","0.1061","0.1243","","","","","","1.164","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108781","8.0108","0.0004","8.627","0.0005","8.263","0.008","90","","90","","90","","571","0.6","293","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.0446","0.0259","","","0.0411","0.0464","","","","","","1.055","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108782","7.9846","0.0014","8.6043","0.0011","8.179","0.012","90","","90","","90","","561.9","0.8","296","0.2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Safari, Fatemeh; Katrusiak, Andrzej","Structure‒property relationships of molecular shape and orientation with compression and expansion of xylitol","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621000445","","","0.71073","MoKα","","0.1268","0.0547","","","0.0696","0.0827","","","","","","1.014","","","","has coordinates,has Fobs","262343","2021-03-02","06:04:19",""
"2108793","7.7498","0.0004","11.794","0.0006","17.2849","0.0007","90","","90","","90","","1579.86","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","1","","Meenatchi, Venkatasamy; Subramanian Siva; Meenakshisundaram, SP; Cheng, Liang","Synthesis, crystal growth, characterization and DFT investigation of a nonlinear optically active cuminaldehyde derivative hydrazone","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621001517","","","0.71073","MoKα","","0.0578","0.0447","","","0.1119","0.1218","","","","","","1.053","","","","has coordinates,has Fobs","263112","2021-03-18","06:01:32",""
"2108794","7.905","0.002","12.723","0.003","14.678","0.004","90","","90","","90","","1476.2","0.7","99.98","0.13","99.98","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cu N5 O3 S -","- C11.9985 H14 Cu N5 O3 S -","- C47.994 H56 Cu4 N20 O12 S4 -","4","1","XK5077","Kowalska, Dorota A.; Kinzhybalo, Vasyl; Slyvka, Yuriy I.; Wołcyrz, Marek","Crystal structure and enantiomeric layer disorder of a copper(I) nitrate π-coordination compound","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621001244","","x-ray","0.71073","MoKα","","0.0504","0.0376","","","0.0665","0.0687","","","","1.76","1.76","1.64","","","","has coordinates,has Fobs","263113","2021-03-18","06:02:12",""
"2108805","6.2484","0.0003","13.7976","0.0005","32.4874","0.0012","90","","90","","90","","2800.8","0.2","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Phenylethanaminium 4-(2,4,6-triisopropylbenzoyl)benzoate","","- C31 H39 N O3 -","- C31 H39 N O3 -","- C124 H156 N4 O12 -","4","1","EB5068","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.1232","0.0615","","","0.1044","0.1243","","","","","","1.022","","","","has coordinates,has Fobs","265498","2021-05-26","05:02:21",""
"2108806","6.2711","0.0003","13.7242","0.0007","32.5405","0.0013","90","","90","","90","","2800.6","0.2","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.882 N O3 -","- C124 H155.528 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.1554","0.0691","","","0.1079","0.1335","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:22",""
"2108807","6.2975","0.0005","13.6726","0.0012","32.5998","0.0019","90","","90","","90","","2806.9","0.4","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.721 N O3 -","- C124 H154.884 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2021","0.0772","","","0.1273","0.1712","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:22",""
"2108808","6.3387","0.0005","13.5668","0.001","32.6429","0.0016","90","","90","","90","","2807.2","0.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.56 N O3 -","- C124 H154.24 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2566","0.0855","","","0.1319","0.1888","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:22",""
"2108809","6.3595","0.0005","13.5442","0.0011","32.6718","0.0016","90","","90","","90","","2814.2","0.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31.023 H38.425 N O3.003 -","- C124.092 H153.7 N4 O12.012 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.26","0.0959","","","0.1412","0.1948","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:22",""
"2108810","6.3663","0.0006","13.5168","0.0012","32.6694","0.0018","90","","90","","90","","2811.3","0.4","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.381 N O3 -","- C124 H153.524 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2591","0.0898","","","0.1486","0.2108","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108811","6.3696","0.0005","13.4941","0.001","32.6553","0.0015","90","","90","","90","","2806.8","0.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C30.977 H38.303 N O2.997 -","- C123.908 H153.212 N4 O11.988 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2673","0.0941","","","0.1279","0.1817","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108812","6.3861","0.0005","13.4799","0.001","32.6933","0.0017","90","","90","","90","","2814.4","0.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.305 N O3 -","- C124 H153.22 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2777","0.0898","","","0.145","0.2103","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108813","6.392","0.001","13.4462","0.0018","32.676","0.003","90","","90","","90","","2808.4","0.6","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.264 N O3 -","- C124 H153.056 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2725","0.0912","","","0.1557","0.2186","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108814","6.401","0.002","13.422","0.004","32.51","0.009","90","","90","","90","","2793.1","1.4","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.209 N O3 -","- C124 H152.836 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2813","0.0921","","","0.171","0.2469","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108815","6.1975","0.0008","13.744","0.003","32.378","0.017","90","","90","","90","","2757.9","1.6","299","2","299","2","100000","","100000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H39 N O3 -","- C124 H156 N4 O12 -","4","1","EB5068","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2058","0.0846","","","0.112","0.1504","","","","","","1.02","","","","has coordinates,has Fobs","265498","2021-05-26","05:02:23",""
"2108816","5.9706","0.001","13.368","0.004","31.832","0.008","90","","90","","90","","2540.7","1.1","299","2","299","2","750000","","750000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H39 N O3 -","- C124 H156 N4 O12 -","4","1","EB5068","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.70932","MoKα","","0.1559","0.0668","","","0.1293","0.1646","","","","","","1.038","","","","has coordinates,has Fobs","265498","2021-05-26","05:02:23",""
"2108817","5.9793","0.001","13.334","0.004","31.884","0.008","90","","90","","90","","2542","1.1","299","2","299","2","750000","","750000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.931 N O3 -","- C124 H155.724 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.70932","MoKα","","0.1729","0.0691","","","0.148","0.1886","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108818","5.9907","0.0012","13.301","0.005","31.928","0.009","90","","90","","90","","2544.1","1.3","299","2","299","2","750000","","750000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.745 N O3 -","- C124 H154.98 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.70932","MoKα","","0.2104","0.0785","","","0.1593","0.2033","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108819","6.2884","0.0003","13.7572","0.0005","32.703","0.0013","90","","90","","90","","2829.2","0.2","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.74 N O3 -","- C124 H154.96 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.0806","0.0539","","","0.1044","0.1143","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108820","5.9414","0.0008","13.381","0.003","31.662","0.018","90","","90","","90","","2517.2","1.6","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H39 N O3 -","- C124 H156 N4 O12 -","4","1","EB5068","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.1702","0.0676","","","0.119","0.1639","","","","","","1.061","","","","has coordinates,has Fobs","265498","2021-05-26","05:02:23",""
"2108821","5.9654","0.001","13.321","0.004","31.75","0.02","90","","90","","90","","2523","1.8","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.909 N O3 -","- C124 H155.636 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.1821","0.0745","","","0.1188","0.16","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108822","5.9717","0.0012","13.299","0.005","31.81","0.03","90","","90","","90","","2526","3","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.87 N O3 -","- C124 H155.48 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2206","0.0877","","","0.1662","0.2473","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108823","5.9814","0.0012","13.288","0.005","31.81","0.03","90","","90","","90","","2528","3","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.842 N O3 -","- C124 H155.368 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2153","0.0835","","","0.1295","0.1815","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108824","5.985","0.0011","13.301","0.004","31.82","0.03","90","","90","","90","","2533","3","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.81 N O3 -","- C124 H155.24 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2337","0.0873","","","0.161","0.2342","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108825","5.9831","0.0015","13.294","0.004","31.84","0.03","90","","90","","90","","2533","3","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.77 N O3 -","- C124 H155.08 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2541","0.0857","","","0.1817","0.2621","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108826","5.9808","0.0013","13.293","0.004","31.84","0.03","90","","90","","90","","2531","3","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31.013 H38.692 N O3.001 -","- C124.052 H154.768 N4 O12.004 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2485","0.0846","","","0.1682","0.2358","","","","","","0.991","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108827","5.987","0.0015","13.257","0.005","31.84","0.03","90","","90","","90","","2527","3","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31 H38.633 N O3 -","- C124 H154.532 N4 O12 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.2887","0.0998","","","0.1902","0.2801","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108828","5.997","0.002","13.267","0.007","31.79","0.05","90","","90","","90","","2529","4","299","2","299","2","1000000","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31.013 H38.612 N O3.001 -","- C124.052 H154.448 N4 O12.004 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","","0.71073","MoKα","","0.3134","0.099","","","0.1836","0.2841","","","","","","0.974","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108829","5.956","0.0005","13.3207","0.0011","31.89","0.03","90","","90","","90","","2530","2","295","2","295","","1500000","","1500000","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O3 -","- C31.013 H38.683 N O3.001 -","- C124.052 H154.732 N4 O12.004 -","4","1","","Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona","Structural reasons for the formation of multicomponent products and the influence of high pressure","Acta Crystallographica Section B","2021","77","3","","","10.1107/S2052520621004492","","x-ray","0.6889","synchrotron","","0.1224","0.0794","","","0.2202","0.2555","","","","","","0.982","","","","has coordinates,has disorder,has Fobs","265498","2021-05-26","05:02:23",""
"2108853","4.06406","0.00018","13.5231","0.0006","14.1996","0.0006","90","","90","","90","","780.39","0.06","270","0.1","270","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C24 H12 Br12 -","4","1","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.0414","0.0296","","","0.0536","0.0563","","","","","","1","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:47",""
"2108854","4.03673","0.00014","13.4739","0.0004","14.1499","0.0005","90","","90","","90","","769.62","0.04","200","0.1","200","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C24 H12 Br12 -","4","1","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.0264","0.0216","","","0.036","0.037","","","","","","0.995","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:47",""
"2108855","4.00341","0.00011","13.4119","0.0003","14.0916","0.0004","90","","90","","90","","756.62","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H3 Br3 -","- C6 H3 Br3 -","- C24 H12 Br12 -","4","1","LO5092","Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej","Properties and interactions ‒ melting point of tribromobenzene isomers","Acta Crystallographica Section B","2021","77","4","","","10.1107/S2052520621006399","","","0.71073","MoKα","","0.0213","0.0184","","","0.0352","0.0357","","","","","","1.011","","","","has coordinates,has Fobs","267783","2021-07-28","05:23:47",""
"2108873","7.60312","0.00009","12.50404","0.00014","13.63023","0.00015","90","","90","","90","","1295.82","0.03","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[<i>N</i>,<i>N</i>-dimethylethane-1,2-diammonium [[tetrachloridobismuthate(III)]-μ-chlorido]]","","- C4 H14 Bi Cl5 N2 -","- C4 H14 Bi Cl5 N2 -","- C16 H56 Bi4 Cl20 N8 -","4","1","","Bujak, Maciej","Understanding distortions of inorganic substructures in chloridobismuthates(III)","Acta Crystallographica Section B","2021","77","5","","","10.1107/S2052520621004753","","","0.71073","MoKα","","0.0104","0.01","","","0.0236","0.0237","","","","","","1.143","","","","has coordinates,has Fobs","269239","2021-09-22","01:45:43",""
"2108879","5.1498","0.0002","7.1902","0.0002","18.8503","0.0006","90","","90","","90","","697.99","0.04","5","","5","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-histidine","2-Amino-3-(1H-imidazol-4-yl)propanoic acid","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","neutron","0.8","neutron","","0.0715","0.0475","","","0.0649","0.0692","","","","","","1.153","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108880","5.1521","0.001","7.2228","0.0002","18.844","0.0006","90","","90","","90","","701.23","0.14","105","","105","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-histidine","2-Amino-3-(1H-imidazol-4-yl)propanoic acid","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","neutron","0.8","neutron","","0.0886","0.0522","","","0.0677","0.0739","","","","","","1.145","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108881","5.169","0.0003","7.343","0.0005","18.8317","0.0013","90","","90","","90","","714.78","0.08","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-histidine","2-Amino-3-(1H-imidazol-4-yl)propanoic acid","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","neutron","0.8","neutron","","0.1019","0.0543","","","0.0704","0.0779","","","","","","1.19","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108885","5.1498","0.0002","7.1902","0.0002","18.8503","0.0006","90","","90","","90","","697.99","0.04","5","","5","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","x-ray","0.71073","MoKα","","0.0219","0.0191","","","0.0316","0.0322","","","","","","1.1312","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108886","5.1521","0.0001","7.2228","0.0002","18.844","0.0006","90","","90","","90","","701.23","0.03","105","","105","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","x-ray","0.71073","MoKα","","0.0274","0.0226","","","0.0365","0.0375","","","","","","1.1223","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108887","5.169","0.0003","7.343","0.0005","18.8317","0.0013","90","","90","","90","","714.78","0.08","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Novelli, Giulia; McMonagle, Charles J.; Kleemiss, Florian; Probert, Michael; Puschmann, Horst; Grabowsky, Simon; Maynard-Casely, Helen E.; McIntyre, Garry J.; Parsons, Simon","Accurate H-atom parameters for the two polymorphs of <small>L</small>-histidine at 5, 105 and 295K","Acta Crystallographica Section B","2021","77","5","","","10.1107/S205252062100740X","","x-ray","0.71073","MoKα","","0.0388","0.0287","","","0.0518","0.0539","","","","","","1.1144","","","","has coordinates,has Fobs","269240","2021-09-22","01:47:04",""
"2108897","5.913","0.0012","15.305","0.003","22.257","0.004","90","","90","","90","","2014.2","0.7","25","","25","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Kleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens; Grabowsky, Simon","Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments","Acta Crystallographica Section B","2021","77","6","892","905","10.1107/S2052520621009379","","x-ray","0.3567","synchrotron","","0.0736","0.0722","","","0.1849","0.1864","","","","","","1.0354","","","","has coordinates,has disorder,has Fobs","271663","2022-01-01","04:14:45",""
"2108898","6.816","0.0014","12.721","0.003","23.613","0.005","90","","90","","90","","2047.4","0.8","25","","25","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N O2 Si -","- C20 H29 N O2 Si -","- C80 H116 N4 O8 Si4 -","4","1","","Kleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens; Grabowsky, Simon","Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments","Acta Crystallographica Section B","2021","77","6","892","905","10.1107/S2052520621009379","","x-ray","0.3567","synchrotron","","0.1176","0.0802","","","0.1854","0.2065","","","","","","1.0695","","","","has coordinates,has disorder,has Fobs","271663","2022-01-01","04:14:46",""
"2108899","9.3033","0.0006","14.8134","0.001","29.664","0.002","90","","90","","90","","4088.1","0.5","100.01","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 N4 O4 -","- C19 H32 N4 O4 -","- C152 H256 N32 O32 -","8","2","","Kleemiss, Florian; Puylaert, Pim; Duvinage, Daniel; Fugel, Malte; Sugimoto, Kunihisa; Beckmann, Jens; Grabowsky, Simon","Ibuprofen and sila-ibuprofen: polarization effects in the crystal and enzyme environments","Acta Crystallographica Section B","2021","77","6","892","905","10.1107/S2052520621009379","","","0.71073","MoKα","","0.1039","0.1009","","","0.2093","0.211","","","","","","1.0522","","","","has coordinates,has disorder,has Fobs","271663","2022-01-01","04:14:46",""
"2108963","11.8862","0.0003","13.1419","0.0003","18.8884","0.0004","90","","90","","90","","2950.51","0.12","298.15","","298.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glycyrrhetinic acid isopropyl ester","","","- C33 H52 O4 -","- C33 H52 O4 -","- C132 H208 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Tykarska, Ewa","Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002517","","","1.54184","CuKα","","0.0443","0.0387","","","0.1026","0.114","","","","","","1.076","","","","has coordinates,has Fobs","274909","2022-05-05","01:45:49",""
"2108964","13.1807","0.0003","13.2466","0.0004","17.2198","0.0005","90","","90","","90","","3006.57","0.14","298","2","298.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glycyrrhetinic acid isopropyl ester","","","- C33 H52 O4 -","- C33 H52 O4 -","- C132 H208 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Tykarska, Ewa","Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002517","","","1.54184","CuKα","","0.0565","0.0544","","","0.1619","0.1656","","","","","","1.051","","","","has coordinates,has disorder","274909","2022-05-05","01:45:49",""
"2108965","13.02432","0.00014","12.99238","0.00013","16.69407","0.00019","90","","90","","90","","2824.92","0.05","298.15","","298.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O4 -","- C32 H50 O4 -","- C128 H200 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Tykarska, Ewa","Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002517","","","1.54184","CuKα","","0.0411","0.0394","","","0.1038","0.106","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","274909","2022-05-05","01:45:50",""
"2108966","12.9136","0.0002","13.7752","0.0003","18.7441","0.0004","90","","90","","90","","3334.34","0.11","298.15","","298.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H57 N O5 -","- C36 H57 N O5 -","- C144 H228 N4 O20 -","4","1","","Langer, Dominik; Wicher, Barbara; Tykarska, Ewa","Single-crystal-to-single-crystal phase transition of 18β-glycyrrhetinic acid isopropyl ester","Acta Crystallographica Section B","2022","78","3","","","10.1107/S2052520622002517","","","1.54178","CuKα","","0.0411","0.0374","","","0.0961","0.1004","","","","","","1.036","","","","has coordinates,has Fobs","274909","2022-05-05","01:45:50",""
"2109016","12.1308","0.0005","12.7614","0.0003","20.027","0.0004","90","","90","","90","","3100.3","0.16","130","2","130.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","n-butyl ester of 11-keto oleanolic acid","","","- C34 H54 O4 -","- C34 H54 O4 -","- C136 H216 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54178","CuKα","","0.0779","0.075","","","0.2132","0.216","","","","","","1.115","","","","has coordinates,has disorder,has Fobs","276889","2022-07-23","03:46:20",""
"2109017","10.7032","0.0001","16.2471","0.0002","17.3698","0.0003","90","","90","","90","","3020.54","0.07","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","n-butyl ester of 11-keto oleanolic acid","","","- C34 H54 O4 -","- C34 H54 O4 -","- C136 H216 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54178","CuKα","","0.0375","0.0364","","","0.0996","0.1009","","","","","","1.027","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:20",""
"2109018","10.3008","0.0002","16.2751","0.0002","17.6374","0.0002","90","","90","","90","","2956.85","0.08","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","iso-butyl ester of oleanolic acid","","","- C34 H56 O3 -","- C34 H56 O3 -","- C136 H224 O12 -","4","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54184","CuKα","","0.0356","0.034","","","0.0868","0.0892","","","","","","1.035","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:20",""
"2109019","10.3043","0.0002","16.1852","0.0003","17.627","0.0004","90","","90","","90","","2939.78","0.1","130","2","130.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 O4 -","- C34 H54 O4 -","- C136 H216 O16 -","4","1","","Langer, Dominik; Wicher, Barbara; Bendzinska-Berus, Wioletta; Bednarczyk-Cwynar, Barbara; Tykarska, Ewa","Insights into isostructural and non-isostructural crystals of esters of oleanolic acid and its 11-oxo derivatives","Acta Crystallographica Section B","2022","78","4","","","10.1107/S2052520622005972","","","1.54178","CuKα","","0.039","0.0359","","","0.0887","0.0913","","","","","","1.054","","","","has coordinates,has Fobs","276889","2022-07-23","03:46:20",""
"2109057","8.208","0.0002","12.9974","0.0002","27.2463","0.0005","90","","90","","90","","2906.71","0.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 F4 I2 N2 S -","- C29 H30 F4 I2 N2 S -","- C116 H120 F16 I8 N8 S4 -","4","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0381","0.0313","","","0.06","0.0646","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","277574","2022-09-02","02:03:25",""
"2109058","8.2583","0.0002","12.9953","0.0004","27.224","0.0007","90","","90","","90","","2921.65","0.14","99.99","","99.99","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 F4 I2 N2 Se -","- C29 H30 F4 I2 N2 Se -","- C116 H120 F16 I8 N8 Se4 -","4","1","RM5061","Ragusa, Arianna C.; Peloquin, Andrew J.; Shahani, Marjan M.; Dowling, Keri N.; Golen, James A.; McMillen, Colin D.; Rabinovich, Daniel; Pennington, William T.","Heterocyclic 1,3-diazepine-based thiones and selones as versatile halogen-bond acceptors","Acta Crystallographica Section B","2022","78","5","","","10.1107/S2052520622008150","","","0.71073","MoKα","","0.0253","0.0219","","","0.0423","0.0443","","","","","","1.126","","","","has coordinates,has disorder,has Fobs","277574","2022-09-02","02:03:25",""
"2109074","8.0808","0.0003","8.1662","0.0003","20.3821","0.0008","90","","90","","90","","1345","0.09","100","","100","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria","New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622008800","","x-ray","0.71073","MoKα","","0.0301","0.0218","","","0.0436","0.0462","","","","","","0.939","","","","has coordinates,has Fobs","278939","2022-11-04","02:48:45",""
"2109075","8.1019","0.0013","8.1922","0.0013","20.442","0.003","90","","90","","90","","1356.8","0.4","100","","100","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","triptycene","","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Bojarowski, Sławomir Antonii; Gruza, Barbara; Trzybiński, Damian; Kamiński, Radosław; Hoser, Anna Agnieszka; Kumar, Prashant; Woźniak, Krzysztof; Dominiak, Paulina Maria","New refinement strategies for a pseudoatom databank – toward rapid electrostatic interaction energy estimations","Acta Crystallographica Section B","2022","78","6","","","10.1107/S2052520622008800","","neutron","","neutron","","0.0629","0.0627","","","0.0987","0.0989","","","","4.38","4.38","4.39","","","","has coordinates,has Fobs","280578","2023-01-25","08:34:37",""
"2200001","8.92","0.004","16.282","0.008","18.504","0.009","90","","90","","90","","2687","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-Methyl 4-methyl-2-(1H-pyrrole-2-carboxamido)pentanoate","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C96 H144 N16 O24 -","8","2","AC6205","Xiang-Chao Zeng; Po-Run Liu","(<i>S</i>)-Methyl 4-methyl-2-(1<i>H</i>-pyrrole-2-carboxamido)pentanoate","Acta Crystallographica Section E","2005","61","11","o3726","o3727","10.1107/S1600536805032393","","","0.71073","MoKα","","0.0758","0.0419","","","0.1013","0.1202","","","","","","1.015","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200005","6.388","0.001","14.182","0.002","21.107","0.003","90","","90","","90","","1912.2","0.5","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cyproterone","6-chloro-1,2-dihydro-17-hydroxy-3'H-cyclopropa[a]pregna-1,4,6-triene- 3,20-dione","","- C22 H27 Cl O3 -","- C22 H27 Cl O3 -","- C88 H108 Cl4 O12 -","4","1","AT6034","de Ruyck, Jérôme; Henry de Hassonville, Sandrine; Liégeois, Jean-François; Wouters, Johan","Cyproterone and a comparison with its acetate ester","Acta Crystallographica Section E","2005","61","11","o3576","o3578","10.1107/S1600536805031673","","","1.54178","CuKα","","0.0367","0.036","","","0.1018","0.1027","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200009","5.2027","0.0002","17.8203","0.0007","19.0427","0.0007","90","","90","","90","","1765.52","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(2,2'-bipyridine)manganese(II)]-μ~2~-5-nitrobenzene- 1,3-dicarboxylato-κ^3^O:O',O'']","","- C18 H13 Mn N3 O7 -","- C18 H13 Mn N3 O7 -","- C72 H52 Mn4 N12 O28 -","4","1","AT6039","Xie, Gang; Zeng, Ming-Hua; Chen, San-Ping; Gao, Sheng-Li","<i>catena</i>-Poly[[aqua(2,2'-bipyridine)manganese(II)]-μ~2~-5-nitrobenzene-1,3-dicarboxylato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'']","Acta Crystallographica Section E","2005","61","11","m2273","m2275","10.1107/S1600536805031892","","","0.71073","MoKα","","0.0702","0.0451","","","0.0999","0.1133","","","","","","1.004","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200015","6.628","0.001","10.218","0.001","19.889","0.001","90","","90","","90","","1347","0.3","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O -","- C15 H22 O -","- C60 H88 O4 -","4","1","BT6000","Yokochi, Alex F. T.; White, James D.; Sturtz, George","Vulgarone B","Acta Crystallographica Section E","2001","57","1","o99","o101","10.1107/S1600536800020079","","","1.54178","CuKα","","0.056","0.05","","","","0.132","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200027","7.3171","0.0003","10.6462","0.0006","21.0401","0.0014","90","","90","","90","","1639.01","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9β,11β-Epoxy-3β-hydroxy-5α-androstan-17-one","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","CF6010","Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Ruíz Garcia, José A.; Reyes Moreno, Mayra; Alvarez Ginarte, Yoanna M.","9β,11β-Epoxy-3β-hydroxy-5α-androstan-17-one","Acta Crystallographica Section E","2001","57","1","o39","o40","10.1107/S1600536800018845","","","1.5418","CuKα","","0.037","0.036","","","","0.103","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200030","13.299","0.003","19.82","0.001","6.6531","0.0007","90","","90","","90","","1753.7","0.4","297","1","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H24 Cl Co N6 O8 -","- C10 H24 Cl Co N6 O8 -","- C40 H96 Cl4 Co4 N24 O32 -","4","1","CF6015","Ohba, Shigeru; Yamada, Naoki; Eishima, Makoto","<i>trans</i>-Dinitro(1,4,8,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cobalt(III) perchlorate","Acta Crystallographica Section E","2001","57","1","m12","m13","10.1107/S1600536800018778","","","0.71073","MoKα","","","0.035","","","","0.108","","","","","","1.08","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200034","8.405","0.002","10.2633","0.0014","15.9652","0.0015","90","","90","","90","","1377.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-(2-Aminoethyl)-N,N-bis(3-aminopropyl)amine]dichlorocobalt(III) chloride","","- C8 H22 Cl3 Co N4 -","- C8 H22 Cl3 Co N4 -","- C32 H88 Cl12 Co4 N16 -","4","1","CF6023","Fanshawe, Rachel L.; Clark, Charles R.; Blackman, Allan G.","[<i>N</i>-(2-Aminoethyl)-<i>N</i>,<i>N</i>-bis(3-aminopropyl)amine]dichlorocobalt(III) chloride, [Co(abap)Cl~2~]Cl","Acta Crystallographica Section E","2001","57","1","m17","m18","10.1107/S1600536800019656","","","0.71073","MoKα","","0.025","0.023","","","","0.051","","","","","","1.05","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200039","8.857","0.003","17.813","0.011","24.085","0.003","90","","90","","90","","3800","3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6'-Di(isobutanoato)-2,2',3,3',4,4'-hexaacetato-α,α-trehalose monohydrate","","- C32 H47.4 O19.7 -","- C32 H47.404 O19.702 -","- C128 H189.616 O78.808 -","4","1","CF6028","Clow, Simon M.; Cox, Philip J.; Gilmore, Graham I.; Wardell, James L.","2,2',3,3',4,4'-Hexaacetato-6,6'-bis(isobutanoyl)-α,α-trehalose 0.7-hydrate","Acta Crystallographica Section E","2001","57","1","o77","o78","10.1107/S1600536800020705","","","0.71073","MoKα","","0.243","0.04","","","","0.1","","","","","","0.39","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200054","4.797","0.001","11.886","0.002","23.775","0.005","90","","90","","90","","1355.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3S,4S,5R)-4-Hydroxy-3-iodo-5-methyltetrahydro-2-furylmethyl benzoate","","- C13 H15 I O4 -","- C13 H15 I O4 -","- C52 H60 I4 O16 -","4","1","NA6012","Bew, Sean P.; Light, Mark E.; Hursthouse, Michael B.; Knight, David W.; Middleton, Robert J.","(2<i>R</i>,3<i>S</i>,4<i>S</i>,5<i>R</i>)-4-Hydroxy-3-iodo-5-methyltetrahydro-2-furylmethyl benzoate","Acta Crystallographica Section E","2001","57","1","o58","o60","10.1107/S1600536800018614","","","0.71073","MoKα","","","0.027","","","","0.063","","","","","","1.049","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200063","11.464","0.003","14.827","0.002","16.444","0.002","90","","90","","90","","2795.1","0.9","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","boc-Tyr-Tic","boc-tyrosyl-tetrahydroisoquinoline-3-carboxylic acid nitromethane solvate","","- C24.825 H30.475 N2.825 O7.65 -","- C24.825 H30.475 N2.825 O7.65 -","- C99.3 H121.9 N11.3 O30.6 -","4","1","NA6023","Deschamps, Jeffrey R.; Flippen-Anderson, Judith L.; George, Clifford","2-[<i>N</i>-(<i>tert</i>-Butoxycarbonyl)tyrosyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid nitromethane solvate","Acta Crystallographica Section E","2001","57","1","o87","o90","10.1107/S1600536800020109","","","1.54178","CuKα","","0.0794","0.0745","","0.2028","","0.1954","","","1.082","","","1.089","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200073","19.515","0.001","23.667","0.002","6.541","0.002","90","","90","","90","","3021","1","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Br O7 -","- C34 H33 Br O7 -","- C136 H132 Br4 O28 -","4","1","OB6002","Timothy J. Brenstrum; Margaret A. Brimble; Peter Turner","<i>endo</i>-(1'<i>R</i>,2'<i>R</i>,5'<i>S</i>,7'<i>R</i>,9'<i>S</i>)-2-(9'-Benzyloxy-2'-phenyl-3',6'-dioxabicyclo[3.2.2]nonan-7'-yl)-7-bromo-5,8-dimethoxynaphthalen-1-yl acetate","Acta Crystallographica Section E","2001","57","1","o28","o29","10.1107/S1600536800018092","","","1.54178","CuKα","","0.0703","0.0356","","","","0.1139","","","","","","1.023","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200106","7.467","0.002","16.217","0.003","19.318","0.004","90","","90","","90","","2339.3","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,6-Dichloro-2-methylthio-5-phenylpyrimidine","","- C11 H8 Cl2 N2 S -","- C11 H8 Cl2 N2 S -","- C88 H64 Cl16 N16 S8 -","8","2","BT6016","Lynch, Daniel E.; McClenaghan, Ian","4,6-Dichloro-2-methylthio-5-phenylpyrimidine","Acta Crystallographica Section E","2001","57","3","o264","o265","10.1107/S1600536801003154","","","0.71073","MoKα","","0.0405","0.0338","","","","0.0865","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200115","8.7475","0.0002","15.553","0.001","20.359","0.001","90","","90","","90","","2769.8","0.2","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O -","- C32 H50 O -","- C128 H200 O4 -","4","1","CF6019","Auhmani, A.; Kossareva, E.; Eljamili, H.; Reglier, M.; Pierrot, M.; Benharref, A.","(1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>)-3,7,7,10-Tétraméthyl-9-[(1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>)-3,7,7-triméthyl-10-méthylènetricyclo[6,4,0,0^1,3^]dodéc-9-yloxy]tricyclo[6,4,0,0^1,3^]dodéc-10-ène","Acta Crystallographica Section E","2001","57","2","o102","o103","10.1107/S1600536800020547","","","0.71073","MoKα","","0.098","0.086","","0.06","","0.051","","","2.12","","","1.87","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200118","7.224","0.002","15.521","0.002","20.404","0.001","90","","90","","90","","2287.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C100 H112 O32 -","4","1","CF6030","Ajees, A. Abdul; Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.","Tricoccin R6","Acta Crystallographica Section E","2001","57","2","o116","o117","10.1107/S1600536801000733","","","1.5418","CuKα","","0.038","0.033","","","","0.092","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200126","7.47","0.004","11.11","0.003","16.242","0.003","90","","90","","90","","1348","0.8","293","1","293","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(dimethylamino)-1-methyl-trimethinium hexafluorophosphate or N-[3-(Dimethylamino)-1-methyl-2-propenylidene]-N-methylmethanaminium hexafluorophosphate","","- C8 H17 F6 N2 P -","- C8 H17 F6 N2 P -","- C32 H68 F24 N8 P4 -","4","1","CF6041","Ferguson, George; McAlees, Alan J.; McCrindle, Robert","1,3-Bis(dimethylamino)-1-methyltrimethinium hexafluorophosphate","Acta Crystallographica Section E","2001","57","2","o168","o169","10.1107/S1600536801001507","","","0.71073","MoKα","","0.082","0.056","","","","0.185","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200130","10.0849","0.0009","10.6081","0.0007","22.917","0.003","90","","90","","90","","2451.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Cl2 N P Pt -","- C27 H26 Cl2 N P Pt -","- C108 H104 Cl8 N4 P4 Pt4 -","4","1","CF6045","Ellis, Dianne D.; Spek, Anthony L.","Dichloro[2-(2-Diphenylphosphino)-<i>N</i>-(1-phenylethyl)benzylamine-<i>C</i>^{α^},<i>P</i>]platinum","Acta Crystallographica Section E","2001","57","3","m106","m108","10.1107/S1600536801002586","","","0.71073","MoKα","","0.0385","0.0309","","","","0.0646","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200143","7.8683","0.0012","7.913","0.002","26.0869","0.0011","90","","90","","90","","1624.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(3-cyano-6-methylcoumarin-4-yl)-1-(4-methoxyphenyl)ethene","3-cyano-4-[2-(4-methoxyphenyl)ethenyl]-6-methyl-2H-1-benzopyran-2-one","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","CI6005","Vijayalakshmi, L; Parthasarathi, V; Varu, Bharat; Shah, Anamik","3-Cyano-4-[2-(4-methoxyphenyl)ethenyl]-6-methyl-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section E","2001","57","3","o245","o246","10.1107/S1600536801002653","","","1.54175","CuKα","","0.057","0.051","","","","0.144","","","","","","1.17","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200162","9.2706","0.0013","10.4565","0.0008","15.094","0.003","90","","90","","90","","1463.2","0.4","300","","300","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","dihydroparthenolide diol","2,10-dihydroxy-1,6,10-trimethyl-4,14-dioxztricyclo[9.2.1.0^3,7^]tetradecan-5-one","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","CV6008","Rugutt, Joseph K.; Fronczek, Frank R.; Franzblau, Scott G.; Warner, Isiah M.","Dihydroparthenolide diol, a novel sesquiterpene lactone","Acta Crystallographica Section E","2001","57","4","o323","o325","10.1107/S1600536801004111","","","1.54184","CuKα","","0.049","0.044","","","","0.128","","","","","","1.068","","","","has coordinates,has Fobs","211399","2020-10-21","18:00:00",""
"2200165","9.799","0.003","19.331","0.005","9.054","0.003","90","","90","","90","","1715","0.9","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","bis Dioxane","(-)-(4R,5R,4''R,5''R)-4,5,4'',5''-Tetramethyldispiro[1,3-dioxalane- 2,1'(2'H)-acenaphthylene-2',2''-1,3-dioxalane]","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","CV6011","Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.","A novel chiral <i>C</i>~2~ axially symmetric acenaphthoquinone diketal","Acta Crystallographica Section E","2001","57","4","o366","o367","10.1107/S1600536801005049","","","0.71069","MoKα","","0.154","0.04","","","","0.167","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200181","5.5421","0.0002","11.5858","0.0005","23.8057","0.0013","90","","90","","90","","1528.56","0.12","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(2-Hydroxybenzoyl)-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine","","- C19 H12 N4 O4 -","- C19 H12 N4 O4 -","- C76 H48 N16 O16 -","4","1","NA6044","Cannon, Debbie; Quesada, Antonio; Quiroga, Jairo; Insuasty, Braulio; Abonia, Rodrigo; Mejía, Diana; Cobo, Justo; Nogueras, Manuel; Sánchez, Adolfo; Low, John Nicolson","6-(2-Hydroxybenzoyl)-2-(4-nitrophenyl)pyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2001","57","2","o182","o184","10.1107/S1600536801001696","","","0.71073","MoKα","","0.0935","0.0469","","","","0.1243","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200186","6.564","0.0003","9.7316","0.0005","28.4686","0.0014","90","","90","","90","","1818.52","0.15","291","1","291","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","NA6049","Zelder, Claudia; Schürmann, Markus; Preut, Hans; Krause, Norbert","Cyclodec-2'-ynyl (1<i>S</i>,1'<i>R</i>)-(‒)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate","Acta Crystallographica Section E","2001","57","3","o216","o217","10.1107/S1600536801002380","","","0.71073","MoKα","","0.1312","0.0395","","","","0.0846","","","","","","0.963","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200205","6.451","0.003","9.2109","0.0009","26.558","0.008","90","","90","","90","","1578.1","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5α-androst-3-en-one","","- C19 H28 O -","- C19 H28 O -","- C76 H112 O4 -","4","1","OB6025","Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Tavares da Silva, E. J.; Fernandes Roleira, F. M.; Sá e Melo, M. L.; Campos Neves, A. S.","5α-Androst-3-en-17-one","Acta Crystallographica Section E","2001","57","2","o189","o191","10.1107/S1600536801001726","","","0.71073","MoKα","","0.0675","0.0402","","","","0.1094","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200210","7.38","0.006","13.515","0.006","28.189","0.014","90","","90","","90","","2812","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 B2 P2 -","- C28 H42 B2 P2 -","- C112 H168 B8 P8 -","4","1","OB6030","Lebel, Hélène; Berthod, Michael; Bélanger-Gariépy, Francine","(+)-(<i>RR</i>)-{μ-<i>m</i>-Phenylenedimethylenebis[<i>tert</i>-butyl(phenyl)phosphine]}bis(borane)","Acta Crystallographica Section E","2001","57","3","o282","o284","10.1107/S160053680100294X","","","1.54056","CuKα","","0.0388","0.0351","","0.0899","","0.0884","","","0.983","","","1.028","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200219","7.4432","0.0002","10.9094","0.0002","13.2137","0.0004","90","","90","","90","","1072.96","0.05","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(2-propynyloxy)-tricyclo[3.3.1.1^3,7^]decane","","- C13 H18 O -","- C13 H18 O -","- C52 H72 O4 -","4","1","OM6008","Mague, Joel T.; Alworth, William L.; Foroozesh, Maryam","1-Adamantyl propargyl ether","Acta Crystallographica Section E","2001","57","3","o220","o221","10.1107/S1600536801002628","","","0.71073","MoKα","","0.05","0.039","","","","0.092","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200243","5.729","0.001","10.079","0.002","19.622","0.004","90","","90","","90","","1133","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,5R,8S)-8-benzyloxy-2,6-dioxabicyclo[3.2.1]octane-3-one","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","YA6004","Koman, Marian; Babjak Matej; Gracza Tibor; Glowiak Tadeusz","Absolute configuration of the newly formed asymmetric centre in (1<i>R</i>,5<i>R</i>,8<i>S</i>)-8-benzyloxy-2,6-dioxabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section E","2001","57","4","o360","o361","10.1107/S1600536801004196","","","1.5418","CuKα","","0.043","0.033","","0.091","","0.088","","","1.09","","","1.13","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200268","10.7902","0.0006","11.7031","0.0006","16.1857","0.0009","90","","90","","90","","2043.91","0.19","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis(2,2'-bipyridine-N,N')-dicyano-iron(III) nitrate","","- C22 H16 Fe N7 O3 -","- C22 H16 Fe N7 O3 -","- C88 H64 Fe4 N28 O12 -","4","1","BT6032","Damgaard Poulsen, Rasmus; Hazell, Alan","Bis(2,2'-bipyridine-<i>N</i>,<i>N</i>')dicyanoiron(III) nitrate","Acta Crystallographica Section E","2001","57","5","m186","m187","10.1107/S1600536801005918","","","0.71073","MoKα","","","0.031","","","","0.038","","","","","","1.203","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200275","14.1406","0.0001","15.2215","0.0001","17.8879","0.0002","90","","90","","90","","3850.21","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α,α-trehalose octaacetate ethyl acetate solvate","2,3,4,6-tetra-O-acetyl-1-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl) -α-D-glucopyranose ethyl acetate solvate","","- C32 H46 O21 -","- C32 H46 O21 -","- C128 H184 O84 -","4","1","BT6040","Thomas C. Baddeley; Simon M. Clow; Philip J. Cox; Anna M. McLaughlin; James L. Wardell","α,α-Trehalose octaacetate ethyl acetate solvate","Acta Crystallographica Section E","2001","57","5","o456","o457","10.1107/S1600536801006857","","","0.71073","MoKα","","0.0787","0.0396","","","","0.0958","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200283","9.809","0.001","13.978","0.005","18.73","0.002","90","","90","","90","","2568.1","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O7 -","- C25 H37 N O7 -","- C100 H148 N4 O28 -","4","1","CF6056","Coutrot, Frédéric; Grison, Claude; Coutrot, Philippe; Toupet, Loic","Isopropyl 6,7-dideoxy-1,2:3,4-di-<i>O</i>-isopropylidene-7-{[(<i>S</i>)-1-phenylethyl]amino}-<small>L</small>-<i>glycero</i>-α-<small>D</small>-<i>galacto</i>-octopyranuronate","Acta Crystallographica Section E","2001","57","6","o519","o520","10.1107/S1600536801006481","","","0.71069","MoKα","","0.1313","0.047","","","","0.1252","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200287","7.783","0.003","7.8653","0.001","25.61","0.003","90","","90","","90","","1567.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-(3-cyano-coumarin-4-yl)-1-(4-methylthiophenyl)ethene","4-[2-(4-Methylthiophenyl)ethenyl]-2-oxo-2H-1-benzopyran-3-carbonitrile","","- C19 H13 N O2 S -","- C19 H13 N O2 S -","- C76 H52 N4 O8 S4 -","4","1","CI6015","Vijayalakshmi, L.; Parthasarathi, V.; Varu, Bharat; Shah, Anamik","3-Cyano-4-[2-(4-methylthiophenyl)ethenyl]-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section E","2001","57","5","o436","o438","10.1107/S1600536801005852","","","1.5418","CuKα","","0.032","0.03","","","","0.086","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200290","9.077","0.001","11.065","0.001","17.106","0.001","90","","90","","90","","1718.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-{[2-carboxy-5-oxopyrrolidin-1-yl](p-tolyl)methyl}pyroglutamic acid","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","1","CI6021","Camus, Fabrice; Norberg, Bernadette; Bourry, Anne; Rigo, Benoît; Durant, François","1,1'-(4-Methylbenzylidene)bis(5-oxopyrrolidine-2-carboxylic acid)","Acta Crystallographica Section E","2001","57","5","o439","o440","10.1107/S1600536801006493","","","1.54178","CuKα","","0.029","0.028","","","","0.076","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200293","7.213","0.005","52.87","0.003","5.061","0.003","90","","90","","90","","1930","1.8","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H40 O2 -","- C19 H40 O2 -","- C76 H160 O8 -","4","1","CI6025","Naotake Nakamura; Kenjiro Uno; Yoshihiro Ogawa","Nonadecane-1,19-diol","Acta Crystallographica Section E","2001","57","6","o485","o487","10.1107/S1600536801007176","","","1.5418","CuKα","","","0.04","","","","0.137","","","","","","1.42","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200298","13.332","0.003","13.791","0.003","7.44","0.002","90","","90","","90","","1367.9","0.6","200","2","200","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","Dimethyldihydrofluoranthene","(6bR,10aS)-6b,10a-Dimethyl-10,10a-dihydro-9H-fluoranthene","","- C18 H20 -","- C18 H20 -","- C72 H80 -","4","1","CV6017","Parvez, Masood; Simion, Dan V.; Sorensen, Ted S.","(6b<i>R</i>,10a<i>S</i>)-6b,10a-Dimethyl-10,10a-dihydro-9<i>H</i>-fluoranthene","Acta Crystallographica Section E","2001","57","5","o441","o443","10.1107/S1600536801006572","","","0.71069","MoKα","","0.118","0.054","","","","0.214","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200302","7.4845","0.0011","13.937","0.002","22.012","0.003","90","","90","","90","","2296.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ramipril","1-[2-(1-ethoxycarbonyl-3-phenylpropylamino)propionyl]octahydrocyclopenta[b]- pyrrole-2-carboxylic acid","","- C23 H32 N2 O5 -","- C23 H32 N2 O5 -","- C92 H128 N8 O20 -","4","1","CV6021","Nagel, Norbert; Schweitzer, Harald; Urbach, Hansjörg; Heyse, Winfried; Müller, Barbara; Berchtold, Harald","Ramipril","Acta Crystallographica Section E","2001","57","5","o463","o465","10.1107/S1600536801006948","","","0.71073","MoKα","","0.1558","0.0643","","","","0.0854","","","","","","0.918","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200308","6.5392","0.0002","7.6077","0.0001","20.3127","0.0005","90","","90","","90","","1010.52","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(3-Pyridylamino)methyl]phenol","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","NA6064","Chen, Zhen-Feng; Xie, Yong-Rong; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Xiong, Ren-Gen; You, Xiao-Zeng","4-[(3-Pyridylamino)methyl]phenol","Acta Crystallographica Section E","2001","57","5","o411","o413","10.1107/S1600536801005037","","","0.71073","MoKα","","0.11","0.0577","","","","0.1333","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200327","11.81","0.002","13.985","0.003","14.434","0.003","90","","90","","90","","2384","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","dimethyl(Z)-[(8aS,2R, 4aR, 4bR)-8a-methoxycarbonyl-1,4a,7- -trimethyl-8-oxo-2,3,4,4a,4b,5,8,8a,9,10-decahydro- -phenanthren-2-yl]-2-butenedioate","","- C25 H32 O7 -","- C25 H32 O7 -","- C100 H128 O28 -","4","1","OB6041","Abad, Antonio; Agulló, Consuelo; Cuñat, Ana C.; Navarro, Ismael; Ramírez de Arellano, Carmen","The product of a regiospecific and stereoselective ene-reaction of a polycyclic terpenoid system","Acta Crystallographica Section E","2001","57","6","o553","o554","10.1107/S1600536801008510","","","0.71073","MoKα","","0.0778","0.0491","","","","0.123","","","","","","1.094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200331","6.7112","0.0008","10.4414","0.0008","17.687","0.002","90","","90","","90","","1239.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Oxa-1-aza-7-phenylbicyclo[5.2.1]decane-9,10-dione","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","OM6011","Kubicki, Maciej; Codding, Penelope W.","8-Oxa-1-aza-7-phenylbicyclo[5.2.1]decane-9,10-dione","Acta Crystallographica Section E","2001","57","5","o406","o407","10.1107/S160053680100558X","","","1.54178","CuKα","","0.0744","0.0628","","","","0.1369","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200344","12.2039","0.0008","12.2039","0.0008","8.343","0.001","90","","90","","90","","1242.57","0.19","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-N-benzyl-4-carboxybenzotriazole","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","TK6012","Graham Smith; Steven E. Bottle; Damien A. Reid; D. Paul Schweinsberg; Raymond C. Bott","A novel benzylated carboxytriazole: 1-benzyl-4-carboxybenzotriazole","Acta Crystallographica Section E","2001","57","6","o531","o532","10.1107/S1600536801008133","","","0.71069","MoKα","","0.133","0.042","","","","0.102","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200347","6.743","0.005","19.418","0.005","22.095","0.005","90","","90","","90","","2893","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tri(L-Isoleucinium) sulfate bisulfate","Tri(L-Isoleucinium) sulfate bisulfate","","- C18 H43 N3 O14 S2 -","- C18 H43 N3 O14 S2 -","- C72 H172 N12 O56 S8 -","4","1","TK6015","B. Sridhar; N. Srinivasan; R. K. Rajaram","Tri(<small>L</small>-isoleucinium) sulfate bisulfate","Acta Crystallographica Section E","2001","57","6","o558","o560","10.1107/S1600536801008583","","","0.71069","MoKα","","0.145","0.047","","","","0.125","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200348","8.8053","0.0018","13.885","0.003","15.647","0.003","90","","90","","90","","1913","0.7","163","2","163","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dichoro[(3-methyl-2-p-tolylsulfonamidobutyl)-κ^2^N,O:η^5^-cyclopentadienyl]- titanium","","- C17 H21 Cl2 N O2 S Ti -","- C17 H21 Cl2 N O2 S Ti -","- C68 H84 Cl8 N4 O8 S4 Ti4 -","4","1","TK6016","Lensink, Cornelis; Gainsford, Graeme J.; Brandsma, Menno","Dichloro[(3-methyl-2-<i>p</i>-tolylsulfonamidobutyl)-κ^2^<i>N</i>,<i>O</i>:η^5^-cyclopentadienyl]titanium","Acta Crystallographica Section E","2001","57","5","m211","m212","10.1107/S1600536801007061","","","0.71073","MoKα","","0.022","0.021","","","","0.056","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200360","10.0535","0.0002","10.9029","0.0003","15.4808","0.0005","90","0.01","90","0.01","90","0.01","1696.89","0.08","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Methyl-4-(7-methylthiazolo[3,2-a]pyrimidin-5-yl)-2-phenyl-1H-pyrazol-5-one dihydrate","","- C17 H18 N4 O3 S -","- C17 H18 N4 O3 S -","- C68 H72 N16 O12 S4 -","4","1","WN6017","Djerrari, B.; Essassi, E. M.; Fifani, J.; Pierrot, M.","3-Methyl-4-(7-methylthiazolo[3,2-<i>a</i>]pyrimidin-5-yl)-2-phenyl-1<i>H</i>-pyrazol-5-one dihydrate","Acta Crystallographica Section E","2001","57","6","o500","o501","10.1107/S1600536801007140","","","0.71073","MoKα","","0.056","0.048","","0.074","","0.068","","","1.857","","","1.8","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2200405","8.5512","0.0001","11.8172","0.0001","15.0854","0.0002","90","","90","","90","","1524.4","0.03","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Nitrato(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II) perchlorate","Nitrato(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II) perchlorate","","- C9 H21 Cl Cu N4 O7 -","- C9 H21 Cl Cu N4 O7 -","- C36 H84 Cl4 Cu4 N16 O28 -","4","1","CF6061","Batten, Stuart R.; Spiccia, Leone; Templar, Claire E.","Nitrato(1,4,7-trimethyl-1,4,7-triazacyclononane)copper(II) perchlorate","Acta Crystallographica Section E","2001","57","7","m265","m266","10.1107/S1600536801008972","","","0.71073","MoKα","","0.0414","0.0371","","","","0.0917","","","","","","1.035","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2200424","5.768","0.002","17.702","0.003","17.823","0.004","90","","90","","90","","1819.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(Diphenylphosphino)-N-phenylmethylene-1-propanamine","","- C22 H22 N P -","- C22 H22 N P -","- C88 H88 N4 P4 -","4","1","CF6089","Xie Tong; Li Yi-Zhi; Li Bang-Jing; Shi Ling; Wang Liu-Fang; Gao Shi-Yang; Liang Yong-Min","<i>N</i>-Benzylidene-3-(diphenylphosphino)-1-propanamine","Acta Crystallographica Section E","2001","57","9","o858","o859","10.1107/S160053680101203X","","","0.71073","MoKα","","0.0359","0.0313","","","","0.0989","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200433","7.153","0.001","10.29","0.002","37.22","0.008","90","","90","","90","","2739.6","0.9","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2α,3α,5α,20S,22S)-2,3,5,14,20,20,24-Heptahydroxycholest-7-en-6-one monohydrate","","- C27 H46 O9 -","- C27 H46 O9 -","- C108 H184 O36 -","4","1","CF6101","Pan, Yuan-Jiang; Zhou, Hui; Shi, Hao; Lv, Shu-Ming; Jin, Zhi-Min","(2α,3α,5α,20<i>S</i>,22<i>S</i>)-2,3,5,14,20,20,24-Heptahydroxycholest-7-en-6-one monohydrate","Acta Crystallographica Section E","2001","57","9","o849","o851","10.1107/S1600536801013162","","","0.71073","MoKα","","0.0993","0.0407","","","","0.0643","","","","","","0.801","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200438","5.0264","0.0006","20.822","0.002","20.897","0.002","90","","90","","90","","2187.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen bis[L-lysinium(2+)] dichloride perchlorate","Hydrogen bis[L-lysinium(2+)] dichloride perchlorate","","- C12 H31 Cl3 N4 O8 -","- C12 H31 Cl3 N4 O8 -","- C48 H124 Cl12 N16 O32 -","4","1","CI6030","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","Hydrogen bis[<small>L</small>-lysinium(2+)] dichloride perchlorate","Acta Crystallographica Section E","2001","57","9","o875","o877","10.1107/S1600536801013484","","","0.7107","MoKα","","0.081","0.069","","","","0.196","","","","","","1.06","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200447","10.744","0.005","22.193","0.004","7.079","0.005","90","","90","","90","","1687.9","1.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1'-(phalolyl)bis(benzotriazole)","","- C20 H12 N6 O2 -","- C20 H12 N6 O2 -","- C80 H48 N24 O8 -","4","1","CI6043","Graham Smith; Steven E. Bottle; Damien A. Reid; D. Paul Schweinsberg; Raymond C. Bott","A phthaloyl-linked benzotriazole corrosion inhibitor: 1,1'-(phthaloyl)bis(benzotriazole)","Acta Crystallographica Section E","2001","57","8","o695","o696","10.1107/S1600536801011011","","","0.71069","MoKα","","0.153","0.037","","","","0.138","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200458","5.6733","0.0003","9.9375","0.0006","9.9407","0.0006","90","","90","","90","","560.44","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","R-thioproline","(R)-1,3-Thiazolidin-3-ium-4-carboxylate","","- C4 H7 N O2 S -","- C4 H7 N O2 S -","- C16 H28 N4 O8 S4 -","4","1","CV6026","Grant, Neil; Ward, Mark F.; Jaspars, Marcel; Harrison, William T. A.","(<i>R</i>)-1,3-Thiazolidin-3-ium-4-carboxylate","Acta Crystallographica Section E","2001","57","8","o697","o699","10.1107/S1600536801010947","","","0.71073","MoKα","","0.032","0.029","","","","0.079","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200479","7.83","0.002","13.683","0.003","7.296","0.002","90","","90","","90","","781.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-Dinitrotoluene","","- C7 H6 N2 O4 -","- C7 H6 N2 O4 -","- C28 H24 N8 O16 -","4","1","CV6049","Jing-Jing Nie; Duan-Jun Xu; Zhen-Yu Li; Michael Y. Chiang","2,6-Dinitrotoluene","Acta Crystallographica Section E","2001","57","9","o827","o828","10.1107/S1600536801013022","","","0.71073","MoKα","","0.0541","0.0461","","0.1439","","0.1326","","","1.046","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200482","12.6246","0.0003","13.0962","0.0003","21.2134","0.0005","90","","90","","90","","3507.3","0.14","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","no","17S,20S-Dihydrofusidic acid diethylene glycol hydrate","","- C35 H62 O10 -","- C35 H62 O10 -","- C140 H248 O40 -","4","1","DN6000","Søtofte, Inger; Duvold, Tore","A new potent fusidic acid analogue","Acta Crystallographica Section E","2001","57","9","o829","o831","10.1107/S1600536801012776","","","0.71073","MoKα","","0.0829","0.0689","","0.1946","","0.175","","","1.151","","","1.125","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200487","10.094","0.0002","13.5844","0.0003","16.1679","0.0003","90","","90","","90","","2216.96","0.08","293","1","293","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C100 H136 O12 -","4","1","NA6082","Linker, Manuela; Schürmann, Markus; Preut, Hans; Kreiser, Wolfgang","(20<i>S</i>)-Methyl-3-oxochola-1,4,22-trien-24-oate","Acta Crystallographica Section E","2001","57","7","o574","o575","10.1107/S1600536801008789","","","0.71073","MoKα","","0.1294","0.0525","","","","0.1226","","","","","","1.001","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200507","5.6304","0.0015","7.2353","0.0015","19.597","0.003","90","","90","","90","","798.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alaninium oxalate","","- C5 H9 N O6 -","- C5 H9 N O6 -","- C20 H36 N4 O24 -","4","1","OB6056","Subha Nandhini, M.; Krishnakumar, R. V.; S. Natarajan","<small>L</small>-Alaninium oxalate","Acta Crystallographica Section E","2001","57","7","o633","o635","10.1107/S1600536801010042","","","1.5418","CuKα","","0.0312","0.0304","","","","0.0826","","","","","","1.092","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200511","7.2643","0.0004","10.6393","0.0006","15.6331","0.0013","90","","90","","90","","1208.24","0.14","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","7-β-bromo-(-)-camphorsulfonimide","[3aS-(3aα,6α,7β)]-7-bromo-4,5,6,7-tetrahydro-8,8-dimethyl- 3H-3a,6-methano-2,1-benzisothiazole-2,2-dioxide","","- C10 H14 Br N O2 S -","- C10 H14 Br N O2 S -","- C40 H56 Br4 N4 O8 S4 -","4","1","OB6062","Fronczek, Frank R.; Garcia, J. Gabriel","(7-<i>endo</i>-Bromocamphorylsulfonyl)imine","Acta Crystallographica Section E","2001","57","9","o886","o887","10.1107/S1600536801013824","","","1.5418","CuKα","","0.061","0.057","","","","0.162","","","","","","1.152","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200512","4.9846","0.0002","20.604","0.002","20.663","0.002","90","","90","","90","","2122.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bis( L-Lysinium(+)) hydrogen dichloride nitrate","Bis( L-Lysinium(+)) hydrogen dichloride nitrate","","- C12 H31 Cl2 N5 O7 -","- C12 H31 Cl2 N5 O7 -","- C48 H124 Cl8 N20 O28 -","4","1","OB6065","Srinivasan, N.; Sridhar, B.; Rajaram, R. K.","<small>L</small>-Lysine <small>L</small>-lysinium dichloride nitrate","Acta Crystallographica Section E","2001","57","9","o888","o890","10.1107/S1600536801014040","","","0.7107","MoKα","","0.1185","0.0616","","","","0.1897","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200525","5.5873","0.0011","7.3864","0.0017","23.688","0.003","90","","90","","90","","977.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alaninium maleate","","- C7 H11 N O6 -","- C7 H11 N O6 -","- C28 H44 N4 O24 -","4","1","OM6040","Alagar, M.; Krishnakumar, R. V.; Subha Nandhini, M.; Natarajan, S.","<small>L</small>-Alaninium maleate","Acta Crystallographica Section E","2001","57","9","o855","o857","10.1107/S1600536801013149","","","1.5418","CuKα","","0.0371","0.0354","","","","0.106","","","","","","1.1","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200527","6.7249","0.0005","9.979","0.002","11.1574","0.001","90","","90","","90","","748.75","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H4 N4 O7 -","- C4 H4 N4 O7 -","- C16 H16 N16 O28 -","4","1","OM6043","Gilardi, Richard D.; Butcher, Ray J.","6,8-Dinitro-2,4-dioxa-6,8-diazabicyclo[3.3.0]octan-3-one","Acta Crystallographica Section E","2001","57","9","o891","o892","10.1107/S1600536801013915","","","0.71073","MoKα","","0.0413","0.0333","","","","0.0923","","","","","","1.065","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200564","16.292","0.001","18.404","0.001","25.317","0.002","90","","90","","90","","7591","0.9","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","dichloro{1,2-bis(diphenylphosphino)ethane-P,P'} palladium(II) tris(deuterochloroform) solvate","","- C29 H24 Cl11 D3 P2 Pd -","- C29 H24 Cl11 D3 P2 Pd -","- C232 H192 Cl88 D24 P16 Pd8 -","8","2","YA6030","Batsanov, Andrei S.; Howard, Judith A. K.; Robertson, Graham S.; Kilner, Melvyn","[1,2-Bis(diphenylphosphino)ethane-<i>P</i>,<i>P</i>']dichloropalladium(II) tris(deuterochloroform) solvate","Acta Crystallographica Section E","2001","57","7","m301","m304","10.1107/S1600536801008728","","","0.71073","MoKα","","0.105","0.063","","","","0.099","","","","","","1.78","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200567","7.058","0.004","16.212","0.008","17.029","0.009","90","","90","","90","","1948.5","1.8","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-1-{(2-Oxo-1,2-dihydroquinolin-6-yl)[3-(trifluoromethyl)phenyl]methyl}- 1H-1,2,4-triazol-4-ium bromide","","- C19 H14 Br F3 N4 O -","- C19 H14 Br F3 N4 O -","- C76 H56 Br4 F12 N16 O4 -","4","1","YA6033","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","(<i>R</i>)-1-{(2-Oxo-1,2-dihydroquinolin-6-yl)[3-(trifluoromethyl)phenyl]methyl}-1<i>H</i>-1,2,4-triazol-4-ium bromide","Acta Crystallographica Section E","2001","57","7","o655","o656","10.1107/S1600536801010315","","","0.71073","MoKα","","0.068","0.034","","0.064","","0.064","","","1.04","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200568","9.4442","0.0009","13.725","0.001","15.703","0.001","90","","90","","90","","2035.4","0.3","293","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-{4-[(1S,2S)-2-(Dimethylamino)-1-(1H-imidazol-1-yl)propyl]phenyl}- 2-benzothiazolamine","","- C21 H23 N5 S -","- C21 H23 N5 S -","- C84 H92 N20 S4 -","4","1","YA6034","Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter","(+)-<i>N</i>-{4-[(1<i>S</i>,2<i>S</i>)-2-(Dimethylamino)-1-(1<i>H</i>-imidazol-1-yl)propyl]phenyl}-2-benzothiazolamine","Acta Crystallographica Section E","2001","57","8","o723","o724","10.1107/S1600536801011230","","","1.54184","CuKα","","0.058","0.049","","0.145","","0.145","","","1.07","","","1.07","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200599","6.6593","0.0005","7.0878","0.0006","11.7358","0.0007","90","","90","","90","","553.93","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-picoline","2-methylpyridine","","- C6 H7 N -","- C6 H7 N -","- C24 H28 N4 -","4","1","BT6088","Bond, Andrew D.; Davies, John E.","2-Picoline","Acta Crystallographica Section E","2001","57","11","o1089","o1090","10.1107/S1600536801017548","","","0.7107","MoKα","","0.0679","0.0621","","","","0.1809","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200601","5.572","0.001","15.53","0.001","27.221","0.002","90","","90","","90","","2355.5","0.5","123","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 O9 -","- C27 H26 O9 -","- C108 H104 O36 -","4","1","BT6091","Carr, Jenny M.; Draffin, Scott P.; Duggan, Peter J.; Fallon, Gary D.; Humphrey, David G.","<small>D</small>-Mannitol-1,2,6-tribenzoate","Acta Crystallographica Section E","2001","57","11","o1118","o1119","10.1107/S1600536801018074","","","0.71073","MoKα","","0.0478","0.0357","","","","0.0873","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200603","5.9498","0.0002","9.7014","0.0004","24.7207","0.0009","90","","90","","90","","1426.91","0.09","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","CF6072","El Jamili, H.; Auhmani, A.; Dakir, M.; Benharref, A.; Kossareva, E.; Pierrot, M.","(1<i>R</i>,6<i>S</i>,7<i>R</i>)-Himachal-2-ène-6,7-diol","Acta Crystallographica Section E","2001","57","10","o904","o905","10.1107/S1600536801014374","","","0.71073","MoKα","","0.0488","0.0456","","","","0.1166","","","","","","1.136","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200612","8.1138","0.0002","9.5567","0.0002","11.9553","0.0003","90","","90","","90","","927.03","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-1,2-diammoniocyclohexane dichloride","","- C6 H16 Cl2 N2 -","- C6 H16 Cl2 N2 -","- C24 H64 Cl8 N8 -","4","1","CF6109","Farrugia, Louis J.; Cross, Ronald J.; Barley, Helen R. L.","(1<i>R</i>,2<i>R</i>)-1,2-Diammoniocyclohexane dichloride","Acta Crystallographica Section E","2001","57","11","o992","o993","10.1107/S1600536801015872","","","0.71073","MoKα","","0.0181","0.0174","","","","0.0465","","","","","","1.063","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200618","4.126","0.001","17.779","0.003","10.268","0.003","90","","90","","90","","753.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-thiocoumarin","2H-chromene-2-thione","","- C9 H6 O S -","- C9 H6 O S -","- C36 H24 O4 S4 -","4","1","CF6115","Munshi, Parthapratim; Guru Row, T. N.","2<i>H</i>-Chromene-2-thione","Acta Crystallographica Section E","2001","57","12","o1175","o1176","10.1107/S1600536801019067","","","0.71073","MoKα","","0.1638","0.0541","","","","0.1855","","","","","","0.84","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200631","5.1787","0.0005","9.9128","0.0018","18.918","0.005","90","","90","","90","","971.2","0.3","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","CF6128","Gallagher, John F.; Murphy, Carol","Intermolecular hydrogen bonding in (2<i>S</i>)-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)propanoic acid","Acta Crystallographica Section E","2001","57","12","o1227","o1229","10.1107/S1600536801019754","","","0.71073","MolybdenumKα","","0.053","0.039","","","","0.087","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200643","4.7919","0.0009","15.775","0.003","25.228","0.005","90","","90","","90","","1907","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-Di-2-methoxyphenylpyridine-2,6-dicarboxamide","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","1","CI6065","Yang, Qi Yun; Zhou, Zhong Yuan; Qi, Jian Ying","<i>N</i>,<i>N</i>'-Bis(2-methoxyphenyl)pyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2001","57","12","o1161","o1162","10.1107/S1600536801018694","","","0.71073","MoKα","","0.142","0.041","","","","0.104","","","","","","0.85","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200665","7.1944","0.0006","7.592","0.0003","15.919","0.0015","90","","90","","90","","869.49","0.11","203","2","203","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","α-Pinene","(1S)-(-)-α-Pinene","","- C10 H16 -","- C10 H16 -","- C40 H64 -","4","1","","Bond, Andrew D.; Davies, John E.","(1S)-(-)-α-Pinene","Acta Crystallographica Section E","2001","57","11","o1039","o1040","10.1107/S1600536801016415","","","0.7107","MoKα","","0.0559","0.0457","","","","0.1029","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200666","7.5079","0.0003","9.3361","0.0008","12.4875","0.0011","90","","90","","90","","875.31","0.11","185","2","185","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","β-Pinene: Nopinene","(1S)-(-)-β-Pinene","","- C10 H16 -","- C10 H16 -","- C40 H64 -","4","1","CV6065","Bond, Andrew D.; Davies, John E.","(1<i>S</i>)-(‒)-β-Pinene","Acta Crystallographica Section E","2001","57","11","o1041","o1042","10.1107/S1600536801016427","","","0.7107","MoKα","","0.0724","0.0603","","","","0.1552","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200668","7.7184","0.0015","7.8674","0.0016","25.374","0.005","90","","90","","90","","1540.8","0.5","120","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Br O4 -","- C15 H19 Br O4 -","- C60 H76 Br4 O16 -","4","1","CV6067","Coles, Simon J.; Hursthouse, Michael B.","(2<i>S</i>)-1-(4-Bromophenyl)-2-hydroxy-2-[(2<i>S</i>,5<i>R</i>)-5-(1-hydroxy-1-methylethyl)-tetrahydrofuran-2-yl]ethanone","Acta Crystallographica Section E","2001","57","11","o1061","o1062","10.1107/S1600536801017020","","","0.71073","MoKα","","","0.0691","","","","0.1931","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200670","5.3067","0.0002","9.3552","0.0006","20.0955","0.0012","90","","90","","90","","997.65","0.1","262","2","262","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 Cl O3 -","- C8 H13 Cl O3 -","- C32 H52 Cl4 O12 -","4","1","CV6069","Davies, J. E.; Hook, D. F.; Ley, S. V.","(‒)-(4<i>S</i>)-1-Chloro-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propan-2-one","Acta Crystallographica Section E","2001","57","11","o1098","o1099","10.1107/S1600536801017512","","","0.71073","MoKα","","0.058","0.0395","","0.1012","","0.0932","","","1.144","","","1.197","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200692","7.5556","0.0003","8.0446","0.0003","22.9549","0.0008","90","","90","","90","","1395.24","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Hydroxy-2-[5-(1-hydroxy-1-methyl-ethyl)-tetrahydro-furan-2-yl]-1-phenyl- ethanone","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","NA6098","Light, Mark E.; Hursthouse, Michael B.","(2<i>S</i>*)-2-Hydroxy-2-[(2<i>S</i>*,5<i>R</i>*)-5-(1-hydroxy-1-methylethyl)tetrahydrofuran-2-yl]-1-phenylethanone","Acta Crystallographica Section E","2001","57","12","o1194","o1195","10.1107/S1600536801017007","","","0.71073","MoKα","","0.0637","0.054","","","","0.1464","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200698","8.277","0.002","9.723","0.002","16.5","0.002","90","","90","","90","","1327.9","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 S2 -","- C12 H15 N O3 S2 -","- C48 H60 N4 O12 S8 -","4","1","NA6104","Hansen, Lars Kr.; Bayer, Annette; Gautun, Odd R.","<i>exo</i>-3,6-Dihydro-3-methyl-2-(toluene-4-sulfonyl)-1λ^4^,2-thiazine 1-oxide","Acta Crystallographica Section E","2001","57","11","o1109","o1110","10.1107/S1600536801017901","","","0.71069","MoKα","","0.0664","0.0568","","","","0.1621","","","","","","1.055","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200703","6.871","0.0006","8.835","0.001","19.042","0.002","90","","90","","90","","1156","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-acetyl-7-methylbenzo[e]indol","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","NA6110","Višnjevac, Aleksandar; Basarić, Nikola; Kojić-Prodić, Biserka; Šindler-Kulyk, Marija","Photochemical formation of 2-acetyl-7-methylbenz[<i>e</i>]indole","Acta Crystallographica Section E","2001","57","12","o1252","o1254","10.1107/S1600536801020153","","","1.5418","CuKα","","0.0856","0.0561","","","","0.1678","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200706","10.156","0.002","19.733","0.001","9.486","0.001","90","","90","","90","","1901.1","0.4","294.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N2 O5 P -","- C19 H23 N2 O5 P -","- C76 H92 N8 O20 P4 -","4","1","OB6066","Kiriko Kurokawa; Nobuko Kanehisa; Masaaki Sawa; Hirosato Kondo; Yasushi Kai","(+)-(3<i>R</i>)-<i>N</i>-Hydroxy-2-[(<i>S</i>)-ethoxy(4-methoxyphenyl)phosphoryl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide","Acta Crystallographica Section E","2001","57","10","o906","o908","10.1107/S1600536801014222","","","1.5418","CuKα","","","0.0406","","","","0.1017","","","","","","1.647","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200710","8.4086","0.0004","11.2321","0.0006","18.7217","0.0007","90","","90","","90","","1768.19","0.14","123.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H26 Co I3 N6 O -","- C6 H26 Co I3 N6 O -","- C24 H104 Co4 I12 N24 O4 -","4","1","OB6070","Ryo Matsuki; Shiro, Motoo; Asahi, Toru; Asai, Hiroshi","Absolute configuration of Λ-(+)~589~-tris(ethylenediamine)cobalt(III) triiodide monohydrate","Acta Crystallographica Section E","2001","57","10","m448","m450","10.1107/S1600536801015008","","","0.7107","MoKα","","","0.0229","","","","0.0662","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2200721","7.23","0.006","63.045","0.005","5.041","0.004","90","","90","","90","","2298","3","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H48 O2 -","- C23 H48 O2 -","- C92 H192 O8 -","4","1","OB6081","Nakamura, Naotake; Uno, Kenjiro; Ogawa, Yoshihiro","Tricosane-1,23-diol","Acta Crystallographica Section E","2001","57","11","o1091","o1093","10.1107/S1600536801017457","","","1.5418","CuKα","","","0.044","","","","0.192","","","","","","1.413","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200776","10.782","0.0003","19.6026","0.0004","22.5181","0.0007","90","","90","","90","","4759.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","asco8-m","Diastereomer 8 of desoxazolin-ascidiacyclamide derivatives cyclo(-Ile-D-allo-MsThr-D-Val-Thz-Ile-D-allo-MsThr-D-Val-Thz-) Ms=methoxysufonyl","","- C38 H60 N8 O12 S4 -","- C38 H60 N8 O12 S4 -","- C152 H240 N32 O48 S16 -","4","1","WN6056","Mitsunobu Doi; Akiko Asano; Yoshihide Usami; Yoshio Katsuya; Masamichi Nakai; Masahiro Sasaki; Taizo Taniguchi; Hiroshi Hasegawa","A folded conformation of an ascidiacyclamide derivative: 3-methoxysulfoxide-(2<i>R</i>,3<i>R</i>)-threoninyl desoxazoline-ascidiacyclamide","Acta Crystallographica Section E","2001","57","11","o1019","o1021","10.1107/S1600536801016129","","","0.836","synchrotron","","0.0783","0.075","","","","0.2014","","","","","","1.047","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200785","5.451","0.001","8.807","0.002","22.649","0.005","90","","90","","90","","1087.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D-phenylglycinium perchlorate","D-phenylglycinium perchlorate","","- C8 H10 Cl N O6 -","- C8 H10 Cl N O6 -","- C32 H40 Cl4 N4 O24 -","4","1","WN6065","S.Ramaswamy; B.Sridhar; V.Ramakrishnan; R.K.Rajaram","<small>D</small>-Phenylglycinium perchlorate","Acta Crystallographica Section E","2001","57","12","o1149","o1151","10.1107/S160053680101858X","","","0.71073","MoKα","","0.058","0.0556","","","","0.1612","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2200803","15.036","0.005","12.722","0.004","7.042","0.003","90","","90","","90","","1347.1","0.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Pigment Orange 2","1-[(2-nitrophenyl)hydrazono]-1H-naphthalen-2-one","","- C16 H11 N3 O3 -","- C16 H11 N3 O3 -","- C64 H44 N12 O12 -","4","1","YA6065","Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.; Chernyshev, Vladimir V.; Schenk, Henk","1-[(2-Nitrophenyl)hydrazono]-1<i>H</i>-naphthalen-2-one (Pigment Orange 2) from powder data","Acta Crystallographica Section E","2001","57","12","o1152","o1153","10.1107/S1600536801018268","","","1.5418","CuKα","","","","","","","","","","3.86","","","","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200807","7.0317","0.0001","11.0201","0.0002","5.3323","0.0001","90","","90","","90","","413.2","0.012","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","maleic anhydride","2,5-furandione","","- C4 H2 O3 -","- C4 H2 O3 -","- C16 H8 O12 -","4","1","YA6070","Lutz, Martin","Maleic anhydride, redetermination at 130K","Acta Crystallographica Section E","2001","57","11","o1136","o1138","10.1107/S1600536801017962","","","0.71073","MoKα","","0.031","0.027","","","","0.07","","","","","","0.93","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200867","11.252","0.002","16.003","0.003","16.801","0.002","90","","90","","90","","3025.3","0.9","295","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pentaacetoxy taxadiene","","","- C30 H42.58 O10.29 -","- C30 H42.58 O10.29 -","- C120 H170.32 O41.16 -","4","1","","Chattopadhyay, Sunil K.; Sharon, Ashoke; Yadav, Umesh; Srivastava, Sachin; Mehta, Vijay K.; Maulik, Prakas R.","A taxane diterpenoid from the heartwood of Taxus wallichiana","Acta Crystallographica Section E","2002","58","2","o154","o155","10.1107/S1600536802000910","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","194389","2020-10-21","18:00:00",""
"2200869","7.3711","0.0005","11.0756","0.0007","20.5014","0.0012","90","","90","","90","","1673.72","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3S)-2-benzyl-3-(nosylamino)butano-4-lactone","","- C17 H16 N2 O6 S -","- C17 H16 N2 O6 S -","- C68 H64 N8 O24 S4 -","4","1","CI6076","Guzei, Ilia A.; Langenhan, Joseph M.; Chung, Yong Jun","(2<i>S</i>,3<i>S</i>)-2-Benzyl-3-(nosylamino)butano-4-lactone","Acta Crystallographica Section E","2002","58","1","o65","o66","10.1107/S1600536801019791","","","0.71073","MoKα","","0.032","0.029","","","0.071","0.073","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200883","5.7407","0.0006","13.0939","0.0014","22.846","0.002","90","","90","","90","","1717.3","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-3-Methyl-2-(p-methylphenylsulfonylamino)-1-phenylbutan-1-ol","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","CI6097","Li, Xingshu; Jia, Xian; Zhou, Zhongyuan","(1<i>R</i>,2<i>S</i>)-3-Methyl-2-(<i>p</i>-methylphenylsulfonylamino)-1-phenylbutan-1-ol","Acta Crystallographica Section E","2002","58","3","o232","o234","10.1107/S1600536802002222","","","0.71073","MoKα","","0.094","0.045","","","0.078","0.089","","","","","","0.89","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2200906","10.065","0.004","10.512","0.016","30.696","0.01","90","","90","","90","","3248","5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2'R,3'R)-methyl 2-azido-2,6-dideoxy-3,4-O-(2',3'-dimethoxybutane- 2',3'-diyl)-α-L-glucopyranoside.","","- C13 H23 N3 O6 -","- C13 H23 N3 O6 -","- C104 H184 N24 O48 -","8","2","DN6016","Barnes, John C.; Brimacombe, John S.; Connolly, Lisa M. C.; Dix, Alexander P.","Methyl (2'<i>R</i>,3'<i>R</i>)-2-azido-2,6-dideoxy-3,4-<i>O</i>-(2',3'-dimethoxybutane-2',3'-diyl)-α-<small>L</small>-glucopyranoside","Acta Crystallographica Section E","2002","58","3","o227","o228","10.1107/S1600536802001940","","","0.71073","MoKα","","0.0657","0.0323","","","0.054","0.0583","","","","","","0.723","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200907","8.7709","0.0003","14.0181","0.001","18.1744","0.0013","90","","90","","90","","2234.6","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2'R,3'R)-methyl 6-deoxy-3,4-O-(2',3'-dimethoxybutane- 2',3'-diyl)-2-O-toluene-p-sulfonyl-α-L-mannopyranoside","","- C20 H30 O9 S -","- C20 H30 O9 S -","- C80 H120 O36 S4 -","4","1","DN6017","Barnes, John C.; Brimacombe, John S.; Connolly, Lisa M. C.; Dix, Alexander P.","Methyl (2'<i>R</i>,3'<i>R</i>)-6-deoxy-3,4-<i>O</i>-(2',3'-dimethoxybutane-2',3'-diyl)-2-<i>O</i>-toluene-<i>p</i>-sulfonyl-α-<small>L</small>-mannopyranoside","Acta Crystallographica Section E","2002","58","3","o224","o226","10.1107/S1600536802001952","","","0.71073","MoKα","","0.1222","0.0689","","","0.1042","0.1217","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2200934","6.1961","0.0014","13.613","0.004","15.842","0.002","90","","90","","90","","1336.2","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","NA6131","Hansen, Lars Kr.; Bayer, Annette; Gautun, Odd R.","Benzyl (1<i>R</i>*,3<i>S</i>*)-3,6-dihydro-3-methyl-1λ^4^,2-thiazine-2-carboxylate 1-oxide","Acta Crystallographica Section E","2002","58","2","o165","o166","10.1107/S1600536802000880","","","0.71069","MoKα","","0.0535","0.0352","","","0.0985","0.1068","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200955","11.4829","0.0003","14.5419","0.0003","15.7595","0.0004","90","","90","","90","","2631.57","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(2R,5S)-2,5-Bis(4-nitrophenyl)perhydrofuro[2,3-b]furan-3-yl]triisopropylsilane","","- C27 H36 N2 O6 Si -","- C27 H36 N2 O6 Si -","- C108 H144 N8 O24 Si4 -","4","1","OB6109","Light, Mark E.; Hursthouse, Michael B.","[(2<i>R</i>,5<i>S</i>)-2,5-Bis(4-nitrophenyl)perhydrofuro[2,3-<i>b</i>]furan-3-yl]triisopropylsilane","Acta Crystallographica Section E","2002","58","3","o252","o253","10.1107/S1600536802001137","","","0.71073","MoKα","","0.0421","0.0342","","","0.0781","0.0812","","","","","","1.077","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2200958","10.1959","0.0009","14.443","0.003","15.8359","0.0015","90","","90","","90","","2332","0.6","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl2 N3 O3 Zn2 -","- C20 H23 Cl2 N3 O3 Zn2 -","- C80 H92 Cl8 N12 O12 Zn8 -","4","1","OB6112","Leyla Tatar; Atakol, Orhan; Ülkü, Dinçer","{[μ-<i>N,N</i>'-Bis(salicylidene)-1,3-propanediaminato-<i>N,N</i>'-dimethylformamide]zinc(II)}dichlorozinc(II)","Acta Crystallographica Section E","2002","58","3","m83","m85","10.1107/S1600536802001678","","","0.71073","MoKα","","0.0339","0.0294","","","0.0874","0.0897","","","","","","1.109","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2200979","16.246","0.003","8.145","0.002","16.992","0.004","90","","90","","90","","2248.4","0.9","296","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cloro(1,5-Cyclooctadiene)Triphenylphosphiterhodium(I)","","- C26 H27 Cl P Rh -","- C26 H27 Cl P Rh -","- C104 H108 Cl4 P4 Rh4 -","4","1","WN6068","Horn, Qingyi L.; Jones, Daniel S.; Evans, Robin N.; Ogle, Craig A.; Masterman, T. Craig","Chloro(1,5-cyclooctadiene)(triphenylphosphine)rhodium(I)","Acta Crystallographica Section E","2002","58","2","m51","m52","10.1107/S1600536802000077","","","0.71073","MoKα","","","0.036","","","","0.046","","","","","","2.18","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2201000","9.4745","0.0008","11.9101","0.0007","15.8212","0.001","90","","90","","90","","1785.3","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-dicyclohexyl-N-(2-pyrazinoyl)urea","","- C18 H26 N4 O2 -","- C18 H26 N4 O2 -","- C72 H104 N16 O8 -","4","1","YA6080","Chérioux, Frédéric; Therrien, Bruno; Stoeckli-Evans, Helen; Süss-Fink, Georg","<i>N,N</i>'-Dicyclohexyl-<i>N</i>-(2-pyrazinoyl)urea","Acta Crystallographica Section E","2002","58","1","o27","o29","10.1107/S1600536801020839","","","0.71073","MoKα","","0.041","0.028","","","0.055","0.058","","","","","","0.9","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201012","10.5996","0.0014","17.933","0.002","19.575","0.003","90","","90","","90","","3720.9","0.9","91","2","91","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Cu(S,S)-bis(isopropyloxazoline)(trifluoromethanesulfonate)~2^.^THF","[(4S,4'S)-4,4',5,5'-Tetrahydro-4,4'-diisopropyl-2,2'- (dibenzylmethylene)dioxazole-κ^2^N,N']bis(trifluoromethanesulfonato- kO)copper(II) tetrahydrofuran solvate","","- C33 H42 Cu F6 N2 O9 S2 -","- C33 H42 Cu F6 N2 O9 S2 -","- C132 H168 Cu4 F24 N8 O36 S8 -","4","1","AC6005","C. Mariuska Reynoso-Paz; Marilyn M. Olmstead; Mark J. Kurth; Neil E. Schore","A solution phase catalyst for an enantioselective Diels‒Alder reaction","Acta Crystallographica Section E","2002","58","6","m310","m312","10.1107/S1600536802009303","","","0.71073","MoKα","","0.0349","0.0275","","","0.0617","0.0641","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201036","7.484","0.002","13.901","0.003","14.132","0.004","90","","90","","90","","1470.2","0.7","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Crystal-Structure Analysis at low temperature of Bergenin monohydrated, a Constituent of Hurmiria Balsamifera.","","- C14 H18 O10 -","- C14 H18 O10 -","- C56 H72 O40 -","4","1","BT6136","Caldas, C. S.; De Simone, C. A.; Pereira, M. A.; Malta, V. R. S.; Carvalho, R. L. P.; da Silva, T. B. C.; Santana, A. E. G.; Conserva, L. M.","Bergenin monohydrate, a constituent of <i>Hurmiria balsamifera</i>, at 120K","Acta Crystallographica Section E","2002","58","6","o609","o611","10.1107/S1600536802007584","","","0.7107","MoKα","","0.0478","0.0369","","","0.0969","0.1286","","","","","","1.264","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201048","5.5811","0.0002","16.955","0.0006","17.7323","0.0006","90","","90","","90","","1677.96","0.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2,3,4-tetra-acetyl-alpha-D-glucuronamide","","- C14 H19 N O10 -","- C14 H19 N O10 -","- C56 H76 N4 O40 -","4","1","CF6155","Thomas C. Baddeley; Iain G. Davidson; Janet M. S. Skakle; James L. Wardell","1,2,3,4-Tetra-<i>O</i>-acetyl-α-<small>D</small>-glucopyranuronamide","Acta Crystallographica Section E","2002","58","4","o447","o449","10.1107/S1600536802003562","","","0.71073","MoKα","","0.0448","0.0356","","","0.0881","0.0931","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201065","8.5963","0.0011","12.4609","0.0008","27.7642","0.0015","90","","90","","90","","2974","0.5","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25R)-23-acetyl-3-β-bromo-16-β-acetoxy-22,26-epoxy-5-α-cholest-22-en-6-one","","- C31 H45 Br O5 -","- C31 H45 Br O5 -","- C124 H180 Br4 O20 -","4","1","CF6172","Castro-Méndez, Albina; Sandoval-Ramírez, Jesús; Bernès, Sylvain","A derivative of diosgenin: (25<i>R</i>)-23-acetyl-3β-bromo-16β-acetoxy-22,26-epoxy-5α-cholest-22-en-6-one","Acta Crystallographica Section E","2002","58","6","o606","o608","10.1107/S1600536802007754","","","0.71073","MoKα","","0.1115","0.056","","","0.1153","0.1391","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2201073","11.493","0.002","15.285","0.002","15.293","0.003","90","","90","","90","","2686.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β,17β-Diacetoxy-16-(2-Pyridylmethylene)androst-5-ene hydrate (1/0.46)","","- C29 H37.92 N O4.46 -","- C29 H37.92 N O4.46 -","- C116 H151.68 N4 O17.84 -","4","1","CI6090","Vasuki. G; Parthasarathi. V; Ramamurthi. K; Dubey. S; Jindal. D. P","3β,17β-Diacetoxy-16-(2-pyridylmethylene)androst-5-ene hydrate (1/0.46)","Acta Crystallographica Section E","2002","58","4","o355","o356","10.1107/S1600536802003550","","","1.5418","CuKα","","0.05","0.04","","","0.101","0.113","","","","","","1.06","","","","has coordinates,has Fobs","203508","2020-10-21","18:00:00",""
"2201089","11.58","0.002","14.623","0.002","15.952","0.004","90","","90","","90","","2701.2","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Arjunolic acid","2α,3β-24-trihydroxyolean-12-en-28-oic acid","","- C30 H48 O5 -","- C30 H48 O5 -","- C120 H192 O20 -","4","1","CI6116","Abdul Ajees, A.; Balakrishna, K.","Arjunolic acid","Acta Crystallographica Section E","2002","58","6","o682","o684","10.1107/S1600536802006451","","","1.5418","CuKα","","0.162","0.05","","","0.122","0.164","","","","","","0.96","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2201096","5.9011","0.0002","7.2728","0.0004","17.1567","0.001","90","","90","","90","","736.32","0.06","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,6:3,4-di-anhydro-2-azido-2-deoxygalactopyranose","","- C6 H7 N3 O3 -","- C6 H7 N3 O3 -","- C24 H28 N12 O12 -","4","1","CM6001","Barnes, John C.; Brimacombe, John S.; Paterson, Michael J.","1,6:3,4-Dianhydro-2-azido-2-deoxy-β-<small>D</small>-galactopyranose","Acta Crystallographica Section E","2002","58","5","o573","o574","10.1107/S1600536802006931","","","0.71073","MoKα","","0.0491","0.041","","","0.1051","0.1113","","","","","","1.076","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201107","5.1428","0.0016","8.908","0.003","31.687","0.011","90","","90","","90","","1451.6","0.8","213","2","213","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 -","- C16 H26 -","- C64 H104 -","4","1","CV6098","Merz, Klaus","1-Phenyldecane","Acta Crystallographica Section E","2002","58","4","o450","o451","10.1107/S1600536802004725","","","0.71073","MoKα","","0.0748","0.0433","","","0.1049","0.1238","","","","","","1.021","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201112","10.1595","0.0012","19.961","0.002","22.36","0.003","90","","90","","90","","4534.5","0.9","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2,2'-bis[bis(3,5-dimethylphenyl)phosphinoamino]- 5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl","","- C52 H58 N2 P2 -","- C52 H58 N2 P2 -","- C208 H232 N8 P8 -","4","1","CV6105","Guo, Rongwei; Ao-Yueng, Terry T. L.; Choi, Michael C. K.; Zhou, Zhongyuan","(<i>R</i>)-2,2'-Bis[bis(3,5-dimethylphenyl)phosphinoamino]-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl","Acta Crystallographica Section E","2002","58","5","o544","o545","10.1107/S1600536802006098","","","0.71073","MoKα","","0.2161","0.0509","","","0.0811","0.1024","","","","","","0.852","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201116","5.1608","0.0001","9.4909","0.0002","25.8492","0.0007","90","","90","","90","","1266.11","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-methyl trans-cis-β-N-(2-hydroxynaphthyl)methylenedithiocarbazate","","- C13 H12 N2 O S2 -","- C13 H12 N2 O S2 -","- C52 H48 N8 O4 S8 -","4","1","CV6111","Gomathy Sethuraman; Bohari M Yamin; Mustaffa Samsudin; Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun","<i>S</i>-Methyl <i>trans</i>-<i>cis</i>-β-<i>N</i>-(2-hydroxynaphthyl)methylenedithiocarbazate","Acta Crystallographica Section E","2002","58","6","o649","o651","10.1107/S1600536802008231","","","0.71073","MoKα","","0.0899","0.0681","","","0.1513","0.1598","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201129","6.6906","0.0005","7.3727","0.0005","8.9552","0.0005","90","","90","","90","","441.74","0.05","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","copper(II) hydrogenphosphite dihydrate","","","- Cu H5 O5 P -","- Cu H5 O5 P -","- Cu4 H20 O20 P4 -","4","1","MG6003","El Bali, Brahim; Massa, Werner","Redetermination of copper(II) hydrogenphosphite dihydrate","Acta Crystallographica Section E","2002","58","4","i29","i31","10.1107/S1600536802003574","","","0.71073","MoKα","","0.0226","0.022","","","0.0468","0.0472","","","","","","1.104","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201138","4.607","0.0002","11.2898","0.0004","24.9751","0.0012","90","","90","","90","","1299.01","0.1","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-2-(2-Bromophenoxy)-1,2-dihydronaphthalen-1-ol","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C64 H52 Br4 O8 -","4","1","NA6146","Fagnou, Keith; Lautens, Mark; Lough, Alan J.","(1<i>R</i>,2<i>R</i>)-2-(2-Bromophenoxy)-1,2-dihydronaphthalen-1-ol","Acta Crystallographica Section E","2002","58","5","o540","o541","10.1107/S1600536802006384","","","0.71073","MoKα","","0.058","0.039","","","0.078","0.085","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201147","10.921","0.002","12.905","0.003","15.868","0.004","90","","90","","90","","2236.4","0.9","143","2","143","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,1'S)-2-[1-(2,3-Dimethoxyphenyl)-1-hydroxy-3-oxo-1,3-dihydroisoindol- 2-yl]-N,N-diethylpropionamide","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","NA6155","Jones, Peter G.; Woydowski, Karsten; Liebscher, Jürgen","(2<i>S</i>,1'<i>S</i>)-2-[1-(2,3-Dimethoxyphenyl)-1-hydroxy-3-oxo-1,3-dihydroisoindol-2-yl]-<i>N,N</i>-diethylpropionamide: reaction of phthalimido-protected alanine amides with lithiated 1,2-dimethoxybenzene","Acta Crystallographica Section E","2002","58","5","o557","o559","10.1107/S1600536802006736","","","0.71073","MoKα","","0.0831","0.0531","","","0.0936","0.1101","","","","","","1.123","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201151","11.92","0.001","18.114","0.002","7.383","0.001","90","","90","","90","","1594.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,4R)-4-(2,5-Dimethoxyphenyl)-8-methoxyisochroman-3-ol","","- C18 H20 O5 -","- C18 H20 O5 -","- C72 H80 O20 -","4","1","NA6159","Palusiak, Marcin; Małecka, Magdalena; Grabowski, Sławomir J.; Epsztajn, Jan; Bieniek, Adam; Kowalska, Justyna A.","(3<i>S</i>,4<i>R</i>)-4-(2,5-Dimethoxyphenyl)-8-methoxyisochroman-3-ol","Acta Crystallographica Section E","2002","58","6","o620","o622","10.1107/S1600536802007419","","","1.54178","CuKα","","0.0447","0.0373","","","0.1048","0.1087","","","","","","1.024","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201160","10.5304","0.0012","14.4184","0.0011","16.3327","0.0013","90","","90","","90","","2479.8","0.4","295","","295","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dibromo-2κ^2^Br-(N,N'-dimethylformamide-1κO)-(methanole-1κO) -μ-[2,2'-[1,3-propandiylbis(nitrilomethylidene)]diphenolato] 1κ^4^O,N,N',O':2κ^2^O,O'-nickel(II)zinc(II)","","- C21 H27 Br2 N3 Ni O4 Zn -","- C21 H27 Br2 N3 Ni O4 Zn -","- C84 H108 Br8 N12 Ni4 O16 Zn4 -","4","1","OB6117","Leyla Tatar; Atakol, Orhan; Arıcı, Cengiz","{[μ-<i>N,N</i>'-Bis(salicylidene)-1,3-propanediaminato](<i>N,N</i>-dimethylformamide)(methanol)nickel(II)}dibromozinc(II)","Acta Crystallographica Section E","2002","58","4","m154","m156","10.1107/S1600536802004658","","","0.71073","MoKα","","0.0988","0.0356","","","0.0671","0.0792","","","","","","1.019","","","","has coordinates,has Fobs","194596","2020-10-21","18:00:00",""
"2201163","4.798","0.001","12.094","0.001","30.974","0.002","90","","90","","90","","1797.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[[diaqualanthanum(III)]-tri-μ-glycinato] trichloride monohydrate]","","- C6 H21 Cl3 La N3 O9 -","- C6 H21 Cl3 La N3 O9 -","- C24 H84 Cl12 La4 N12 O36 -","4","1","OB6121","Gao, Sheng-Li; Li, Yi-Zhi; Ren, Fei; Shi, Qi-Zhen; Wang, Liu-Fang","<i>catena</i>-Poly[[[diaqualanthanum(III)]-tri-μ-glycinato] trichloride monohydrate]","Acta Crystallographica Section E","2002","58","5","m234","m236","10.1107/S1600536802007444","","","0.71073","MoKα","","0.0422","0.0324","","","0.0839","0.0855","","","","","","0.97","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201184","8.9766","0.0014","12.3744","0.0019","12.4145","0.0018","90","","90","","90","","1379","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-[2-methyl-1-(2-naphthyl)propenyl]acetamide","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","TK6051","Chen, Xuanhua; Guo, Rongwei; Zhou, Zhongyuan","<i>N</i>-[2-Methyl-1-(2-naphthyl)propenyl]acetamide","Acta Crystallographica Section E","2002","58","5","o568","o569","10.1107/S1600536802007079","","","0.71073","MoKα","","0.107","0.035","","","0.056","0.065","","","","","","0.94","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201226","7.0273","0.0014","9.684","0.0019","15.24","0.003","90","","90","","90","","1037.1","0.4","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Hydro-4,4'-bipyridinium bromide monohydrate","","- C10 H11 Br N2 O -","- C10 H11 Br N2 O -","- C40 H44 Br4 N8 O4 -","4","1","AC6006","Iyere, Peter A.; Boadi, William Y.; Brooks, Roxanne S.; Atwood, David; Parkin, Sean","4,4'-Bipyridin-1-ium bromide monohydrate","Acta Crystallographica Section E","2002","58","8","o825","o827","10.1107/S1600536802011728","","","0.71073","MoKα","","0.0296","0.0249","","","0.0512","0.0523","","","","","","1.068","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2201236","5.1113","0.0001","11.3497","0.0002","19.3853","0.0003","90","","90","","90","","1124.57","0.03","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-citrullinium perchlorate","L-citrullinium perchlorate","","- C6 H14 Cl N3 O7 -","- C6 H14 Cl N3 O7 -","- C24 H56 Cl4 N12 O28 -","4","1","AC6016","Sridhar, B.; Srinivasan, N.; Dalhus, Bjoern; Rajaram, R. K.","<small>L</small>-Citrullinium perchlorate","Acta Crystallographica Section E","2002","58","10","o1177","o1179","10.1107/S160053680201766X","","","0.71074","MoKα","","0.0235","0.0229","","","0.0674","0.0678","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201240","6.698","0.0002","13.6063","0.0003","17.2155","0.0005","90","","90","","90","","1568.93","0.07","120","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","ent-5α,15α-epoxy-9,10-friedo-10β,11β-dihydroxy-16,11α:19,10β-disecco-17- norkauran-16,19-dioic acid 16\ρightarrow11:19\ρightarrow10-dilactone","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","AC6020","Doriguetto, Antonio C.; Vieira, Henriete S.; Ellena, Javier A.; Takahashi, Jacqueline A.; Boaventura, Maria A. D.; Mascarenhas, Yvonne P.","A novel diterpene lactone","Acta Crystallographica Section E","2002","58","12","o1392","o1394","10.1107/S160053680202086X","","","0.7107","MoKα","","","0.0383","","","","0.1217","","","","","","1.191","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201260","4.3347","0.0007","13.858","0.003","17.019","0.003","90","","90","","90","","1022.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-2,4,6-triiodobenzaldehyde","","- C7 H3 I3 O2 -","- C7 H3 I3 O2 -","- C28 H12 I12 O8 -","4","1","BT6148","Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L.; Serra, A.C; d'A Rocha Gonsalves, A. M.","3-Hydroxy-2,4,6-triiodobenzaldehyde","Acta Crystallographica Section E","2002","58","7","o774","o776","10.1107/S1600536802010486","","","0.71073","MoKα","","0.0625","0.0323","","","0.0895","0.1041","","","","","","0.902","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201263","5.5614","0.0007","7.81","0.001","27.52","0.005","90","","90","","90","","1195.3","0.3","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4S,5S)-4-Methyl-5-(4-tolylthiocarbonyl)oxazolidin-2-one","","- C12 H13 N O3 S -","- C12 H13 N O3 S -","- C48 H52 N4 O12 S4 -","4","1","BT6151","Clegg, William; .; Elsegood, Mark R. J.","(4<i>S</i>,5<i>S</i>)-4-Methyl-5-(4-tolylthiocarbonyl)oxazolidin-2-one","Acta Crystallographica Section E","2002","58","7","o758","o759","10.1107/S1600536802010711","","","0.71073","MoKα","","0.0267","0.0267","","","0.0682","0.0682","","","","","","1.108","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201272","9.97","0.003","10.945","0.003","19.874","0.003","90","0.01","90","0.01","90","0.01","2168.7","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N3 O5 -","- C22 H27 N3 O5 -","- C88 H108 N12 O20 -","4","1","BT6160","Flippen-Anderson, Judith L.; Deschamps, Jeffrey R; Brossi, Arnold; Greig, Nigel H.","2-Hydroxybenzoic acid salt of physostigmine","Acta Crystallographica Section E","2002","58","8","o853","o855","10.1107/S1600536802012278","","","1.54178","CuKα","","0.0455","0.0451","","","0.1229","0.1238","","","","","","0.801","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201279","9.5848","0.0006","15.6021","0.0009","16.4734","0.0009","90","","90","","90","","2463.5","0.2","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dichloro{2,2'-thiobis[(4S)-4-isopropyl-1,3-oxazolinylphenyl]}zinc(II)","","- C24 H28 Cl2 N2 O2 S Zn -","- C24 H28 Cl2 N2 O2 S Zn -","- C96 H112 Cl8 N8 O8 S4 Zn4 -","4","1","BT6167","Kooijman, Huub; Spek, Anthony L.; Zondervan, Charon; Feringa, Ben L.","Dichloro{2,2'-thiobis[(4<i>S</i>)-4-isopropyl-1,3-oxazolinylphenyl]}zinc(II)","Acta Crystallographica Section E","2002","58","8","m429","m431","10.1107/S1600536802012497","","","0.71073","MoKa","","0.0325","0.0277","","","0.0612","0.0628","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201307","8.6401","0.0004","9.3228","0.0005","11.8281","0.0007","90","","90","","90","","952.75","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ethylenediammonium tetrathiotungstate","","","- C2 H10 N2 S4 W -","- C2 H10 N2 S4 W -","- C8 H40 N8 S16 W4 -","4","1","BT6196","Srinivasan, Bikshandarkoil R.; Dhuri, Sunder N.; Näther, Christian; Bensch, Wolfgang","Ethylenediammonium tetrathiotungstate(VI)","Acta Crystallographica Section E","2002","58","11","m622","m624","10.1107/S1600536802017841","","","0.71073","MoKα","","0.0255","0.023","","","0.0531","0.054","","","","","","1.038","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201312","8.0237","0.0014","10.2293","0.0014","38.636","0.006","90","","90","","90","","3171.1","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2',3',4',6'-Tetra-O-acetyl-β-D-glucopyranosylthio)-4-pyridin-4-yl- 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile","","- C30 H33 N3 O9 S -","- C30 H33 N3 O9 S -","- C120 H132 N12 O36 S4 -","4","1","BT6201","Elgemeie, Galal H.; Hussein, Mona M.; Jones, Peter G.","2-(2',3',4',6'-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosylthio)-4-pyridin-4-yl-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2002","58","11","o1244","o1246","10.1107/S160053680201872X","","","0.71073","MoKα","","0.0636","0.0446","","","0.1046","0.111","","","","","","0.957","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201341","8.696","0.005","8.698","0.005","22.806","0.013","90","","90","","90","","1725","1.7","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N4 -","- C20 H24 N4 -","- C80 H96 N16 -","4","1","CF6198","Jian-Feng Li; Lin-Hong Weng; Shu-Ping Huang; Hong-Bo Tong; Jian-Ping Guo; Dian-Sheng Liu","(1<i>R</i>,2<i>R</i>)-({-})-1,2-Dibenzamidino-cyclohexane","Acta Crystallographica Section E","2002","58","10","o1078","o1080","10.1107/S1600536802016045","","","0.71073","MoKα","","0.0705","0.0587","","","0.1142","0.119","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201342","6.1886","0.0004","9.071","0.0006","24.5261","0.0015","90","","90","","90","","1376.82","0.15","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4'-Hydroxyacetophenone","","- C8 H8 O2 -","- C8 H8 O2 -","- C64 H64 O16 -","8","2","CF6199","Kresge, A. Jerry; Lough, Alan J.; Zhu, Yu","A redetermination of 4'-hydroxyacetophenone","Acta Crystallographica Section E","2002","58","10","o1057","o1059","10.1107/S1600536802015581","","","0.71073","MoKα","","0.0388","0.0341","","","0.0837","0.0866","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201380","7.2006","0.0006","7.711","0.001","24.06","0.003","90","","90","","90","","1335.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Bis(L-proline) H+ nitrate","Bis(L-proline) hydrogen nitrate","","- C10 H19 N3 O7 -","- C10 H19 N3 O7 -","- C40 H76 N12 O28 -","4","1","CI6141","S. Pandiarajan; B. Sridhar; R. K. Rajaram","Bis(<small>L</small>-proline) hydrogen nitrate","Acta Crystallographica Section E","2002","58","8","o862","o864","10.1107/S1600536802012394","","","0.71073","MoKα","","0.0524","0.0469","","","0.1165","0.1212","","","","","","1.16","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201382","7.635","0.002","12.1814","0.0015","20.175","0.004","90","","90","","90","","1876.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-dimethyl-3,5-(3-chlorophenyl)-4-formyl-cyclohexan-1-one","","- C21 H20 Cl2 O2 -","- C21 H20 Cl2 O2 -","- C84 H80 Cl8 O8 -","4","1","CI6143","Sarangarajan, Thanjavur Ramabhadran; Panchanatheswaran, Krishnaswamy; Thanikachalam, Kanagasabapathy; Jeyaraman, Ramasubbu","3,5-Bis(3-chlorophenyl)-4-formyl-2,6-dimethylcyclohexan-1-one","Acta Crystallographica Section E","2002","58","10","o1053","o1054","10.1107/S1600536802015283","","","0.71069","MoKα","","0.073","0.0422","","","0.0815","0.1001","","","","","","1.15","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201398","11.523","0.002","15.279","0.004","15.409","0.006","90","","90","","90","","2712.9","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β,17β-Diacetoxy-16-(3-pyridylmethylene)androst-5-ene monohydrate","","- C29 H39 N O5 -","- C29 H37 N O5 -","- C116 H148 N4 O20 -","4","1","CI6161","Vasuki, G.; .; Parthasarathi, V.; Ramamurthi, K.; Dubey, S.; Jindal, D. P.","3β,17β-Diacetoxy-16-(3-pyridylmethylene)androst-5-ene monohydrate","Acta Crystallographica Section E","2002","58","11","o1224","o1226","10.1107/S1600536802017932","","","0.71073","MoKα","","0.0982","0.0616","","","0.1549","0.1808","","","","","","1.057","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201409","7.358","0.002","12.635","0.002","20.596","0.01","90","","90","","90","","1914.8","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17a-Allyl-17a-aza-D-homoandrost-4-en-3-one","","- C22 H33 N O -","- C22 H33 N O -","- C88 H132 N4 O4 -","4","1","CI6175","Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Piplani, P.; Jindal, D. P.","17<i>a</i>-Allyl-17<i>a</i>-aza-<small>D</small>-homoandrost-4-en-3-one","Acta Crystallographica Section E","2002","58","12","o1361","o1362","10.1107/S160053680201992X","","","0.71073","MoKα","","0.087","0.0458","","","0.1011","0.1195","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201410","11.4545","0.0012","12.207","0.002","14.784","0.003","90","","90","","90","","2067.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","16-(3-Pyridylmethylene) androst-4-ene-3,17-dione","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C100 H116 N4 O8 -","4","1","CI6176","Vasuki, G.; .; Parthasarathi, V.; .; Ramamurthi. K.; Dubey, S.; Jindal, D. P.","16-(3-Pyridylmethylene)androst-4-ene-3,17-dione","Acta Crystallographica Section E","2002","58","12","o1359","o1360","10.1107/S1600536802019906","","","0.71073","MoKα","","0.064","0.0407","","","0.0898","0.1082","","","","","","1.116","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201424","6.6315","0.0001","9.8478","0.0002","20.9769","0.0005","90","","90","","90","","1369.91","0.05","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2(S)-N-tert-Butoxycarbonylamino-N-methoxy-N-methyl-butanamide","","- C11 H22 N2 O4 -","- C11 H22 N2 O4 -","- C44 H88 N8 O16 -","4","1","CM6021","Sawatzki, Peter; Mikeska, Thomas; Nieger, Martin; Hupfer, Heike; Kolter, Thomas","2(<i>S</i>)-<i>N</i>-<i>tert</i>-Butoxycarbonylamino-<i>N</i>-methoxy-<i>N</i>-methylbutanamide","Acta Crystallographica Section E","2002","58","12","o1415","o1417","10.1107/S1600536802020974","","","0.71073","MoKα","","0.0387","0.034","","","0.0877","0.0901","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201430","14.4165","0.0003","18.9655","0.0004","21.9088","0.0002","90","","90","","90","","5990.22","0.19","136","2","136","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Br3 -","- C24 H15 Br3 -","- C288 H180 Br36 -","12","3","CV6114","Lianne M. C. Beltran; Chunming Cui; Dennis H. Leung; Jide Xu; Frederick J. Hollander","1,3,5-Tris(<i>p</i>-bromophenyl)benzene","Acta Crystallographica Section E","2002","58","7","o782","o783","10.1107/S1600536802010401","","","0.71073","MoKα","","0.0728","0.0354","","","0.0626","0.0703","","","","","","0.742","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201476","5.481","0.0002","8.286","0.0005","25.535","0.0001","90","0.02","90","0.01","90","0.01","1159.69","0.08","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-histidinium binitrate","","","- C6 H11 N5 O8 -","- C6 H11 N5 O8 -","- C24 H44 N20 O32 -","4","1","DN6035","Benali-Cherif, Nourredine; Benguedouar, Lamia; Cherouana, Aouatef; Bendjeddou, Lamia; Merazig, Hocine","<small>L</small>-Histidinium dinitrate","Acta Crystallographica Section E","2002","58","8","o822","o824","10.1107/S1600536802011625","","","0.71073","MoKα","","0.0409","0.0364","","","0.0869","0.0905","","","","","","1.086","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201480","6.1205","0.0001","16.1195","0.0004","22.9272","0.0006","90","","90","","90","","2261.98","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O7 S -","- C22 H26 N2 O7 S -","- C88 H104 N8 O28 S4 -","4","1","DN6039","Evain, Michel; Collet, Sylvain; Guingant, Andre","A chiral 3,4-dihydro-2<i>H</i>-thiopyran compound","Acta Crystallographica Section E","2002","58","10","o1123","o1124","10.1107/S1600536802016689","","","0.71069","MoKα","","0.0668","0.0426","","","0.0804","0.0877","","","","","","1.23","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201526","6.1391","0.0004","9.9755","0.0006","28.248","0.002","90","","90","","90","","1729.9","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 4-tert-butyl-2-(3-phenylureido)-1,3-thiazole-5-carboxylate","","- C17 H21 N3 O3 S -","- C17 H21 N3 O3 S -","- C68 H84 N12 O12 S4 -","4","1","NA6169","Daniel E. Lynch; Ian McClenaghan","Ethyl 4-<i>tert</i>-butyl-2-(3-phenylureido)-1,3-thiazole-5-carboxylate","Acta Crystallographica Section E","2002","58","7","o733","o734","10.1107/S1600536802009923","","","0.71073","MoKα","","0.079","0.0501","","","0.1177","0.1363","","","","","","0.794","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201529","9.7462","0.0005","10.2277","0.0006","34.099","0.002","90","","90","","90","","3399","0.3","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","dicarbonyltrichloro(chlorodiphenylsilyl)ruthenium(II) bis[di-η^5^-cyclopentadienylcobalt(I)]","","- C34 H30 Cl4 Co2 O2 Ru Si -","- C34 H30 Cl4 Co2 O2 Ru Si -","- C136 H120 Cl16 Co8 O8 Ru4 Si4 -","4","1","NA6174","Berenbaum, Andrea; Lough, Alan J.; Manners, Ian","Bis[di-η^5^-cyclopentadienylcobalt(I)] dicarbonyltrichloro(chlorodiphenylsilyl)ruthenium(II)","Acta Crystallographica Section E","2002","58","11","m679","m680","10.1107/S1600536802019153","","","0.71073","MoKα","","0.1288","0.064","","","0.1075","0.1275","","","","","","1.006","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201535","6.0031","0.0015","10.0697","0.0015","17.028","0.003","90","","90","","90","","1029.3","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Chloro-1,3-dioxa-2σ^3^λ^3^-phosphaanthracen-4-one","","- C11 H6 Cl O3 P -","- C11 H6 Cl O3 P -","- C44 H24 Cl4 O12 P4 -","4","1","NA6183","Jones, Peter G.; Kunze, Christine; Thönnessen, Holger; Schmutzler, Reinhard","2-Chloro-1,3-dioxa-2σ^3^λ^3^-phosphaanthracen-4-one","Acta Crystallographica Section E","2002","58","12","o1432","o1433","10.1107/S1600536802021189","","","0.71073","MoKα","","0.0438","0.0353","","","0.0773","0.0828","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201582","7.5203","0.0001","11.4213","0.0003","22.2986","0.0006","90","","90","","90","","1915.26","0.08","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Fe2 O Si2 -","- C22 H22 Fe2 O Si2 -","- C88 H88 Fe8 O4 Si8 -","4","1","OB6177","Berenbaum, Andrea; Lough, Alan J.; Manners, Ian","An oxygen-bridged bis(sila[1]ferrocenophane), [Fe(η-<i>C</i>~5~H~4~)~2~Si(Me)]~2~O","Acta Crystallographica Section E","2002","58","10","m562","m563","10.1107/S1600536802016690","","","0.71073","MoKα","","0.038","0.0293","","","0.067","0.0693","","","","","","0.997","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201598","9.033","0.0004","10.2107","0.0005","24.5414","0.0012","90","","90","","90","","2263.53","0.19","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Methyl (1SR,8RS,10SR)-3,5-dichloro-1-(4-methoxyphenyl)-8-(phenylthio)-11- oxa-4-azatricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene-10-carboxylate","","- C24 H19 Cl2 N O4 S -","- C24 H19 Cl2 N O4 S -","- C96 H76 Cl8 N4 O16 S4 -","4","1","OB6194","Anwar Usman; Tarun K. Sarkar; Sankar Basak; Niranjan Panda; Hoong-Kun Fun","Methyl (1<i>SR</i>,8<i>RS</i>,10<i>SR</i>)-3,5-dichloro-1-(4-methoxyphenyl)-8-(phenylthio)-11-oxa-4-azatricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene-10-carboxylate","Acta Crystallographica Section E","2002","58","12","o1402","o1404","10.1107/S1600536802021013","","","0.71073","MoKα","","0.0357","0.0303","","","0.0742","0.0777","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201602","12.1239","0.0015","14.1289","0.0017","14.8381","0.0018","90","","90","","90","","2541.7","0.5","100","2","100.01","0.02","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","beclomethasone dipropionate anhydrous","9α-chloro-16β-methyl-3,20-dioxo-1,4-pregnadiene-11β,17,21-triol 17,21-dipropionate","","- C28 H37 Cl O7 -","- C28 H37 Cl O7 -","- C112 H148 Cl4 O28 -","4","1","OM6090","Jeffrey W. Millard; Paul B. Myrdal","Anhydrous beclomethasone dipropionate","Acta Crystallographica Section E","2002","58","7","o712","o714","10.1107/S1600536802009406","","","0.71073","MoKα","","0.0333","0.0297","","","0.0698","0.072","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201618","9.3624","0.0006","9.835","0.0006","11.5019","0.0007","90","","90","","90","","1059.09","0.11","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cyclohexyl phenyl ketone","","- C13 H16 O -","- C13 H16 O -","- C52 H64 O4 -","4","1","OM6115","Robinson, Paul D.; Meyers, Cal Y.; Kolb, Vera M.","Cyclohexyl phenyl ketone","Acta Crystallographica Section E","2002","58","11","o1288","o1289","10.1107/S160053680201913X","","","0.71073","MoKα","","0.042","0.031","","","0.076","0.08","","","","","","1.029","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201635","8.1766","0.0002","8.8854","0.0002","23.0888","0.0003","90","","90","","90","","1677.46","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","trans-2-(2-Naphthyl)-3-(phenylselenyl)tetrahydropyran","","- C21 H20 O Se -","- C21 H20 O Se -","- C84 H80 O4 Se4 -","4","1","TK6070","Rickard, Clifton E. F.; Brimble, Margaret A.; Pavia, Gabrielle; Stevenson, Ralph J.","<i>trans</i>-2-(2-Naphthyl)-3-(phenylselenyl)tetrahydropyran","Acta Crystallographica Section E","2002","58","8","o931","o932","10.1107/S1600536802013260","","","0.71073","MoKα","","0.029","0.026","","","0.064","0.065","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201643","12.641","0.003","20.24","0.005","6.051","0.002","90","","90","","90","","1548.2","0.7","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O3 S -","- C16 H22 O3 S -","- C64 H88 O12 S4 -","4","1","TK6080","Wendy A. Loughlin; Michelle A. McCleary; Peter C. Healy","2,6-Dimethyl-2-[2'-(phenylsulfonyl)ethyl]cyclohexanone","Acta Crystallographica Section E","2002","58","11","o1280","o1282","10.1107/S1600536802019037","","","0.71069","MoKα","","0.098","0.042","","","0.107","0.125","","","","","","0.99","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201661","8.679","0.008","14.784","0.004","23.593","0.015","90","","90","","90","","3027","3","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1R,3R,4S)-8-phenylmenthyl(8S,9S)-8-ferrocenyl-6- methyl-1,4-dithia-6-azaspiro[4,4]nonan-9-carboxylate.","","- C34 H43 Fe N O2 S2 -","- C34 H43 Fe N O2 S2 -","- C136 H172 Fe4 N4 O8 S8 -","4","1","WN6114","García-Granda, Santiago; Fernández-Rodríguez, Manuel A.; Aguilar, Enrique; Fernández-Marí, Félix","(1<i>R</i>,3<i>R</i>,4<i>S</i>)-8-Phenylmenthyl (8<i>S</i>,9<i>S</i>)-8-ferrocenyl-6-methyl-1,4-dithia-6-azaspiro[4,4]nonane-9-carboxylate","Acta Crystallographica Section E","2002","58","9","m502","m503","10.1107/S1600536802015246","","","1.5418","CuKα","","0.0684","0.0536","","","0.126","0.1421","","","","","","1.075","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201671","5.584","0.0007","11.491","0.003","21.043","0.005","90","","90","","90","","1350.2","0.5","293","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Bis(L-aspartic acid) nitrate","Bis(L-aspartic acid) nitrate","","- C8 H15 N3 O11 -","- C8 H15 N3 O11 -","- C32 H60 N12 O44 -","4","1","WN6125","B. Sridhar; N. Srinivasan; R. K. Rajaram","<small>L</small>-Aspartic acid nitrate‒<small>L</small>-aspartic acid (1/1)","Acta Crystallographica Section E","2002","58","12","o1372","o1374","10.1107/S1600536802020305","","","0.71073","MoKα","","0.1094","0.0414","","","0.094","0.1182","","","","","","1.022","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201700","6.12","0.001","8.95","0.001","37.622","0.004","90","","90","","90","","2060.7","0.5","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methoxy-1'-phenyl-4'β,5-dihydro-1H-pyrazolo [4',3':16,17]estra-1,3,5(10)-triene","3-methoxy-1'-phenyl-4'β,5-dihydro-1H-pyrazolo [4',3':16,17]estra-1,3,5(10)-triene","","- C26 H30 N2 O -","- C26 H30 N2 O -","- C104 H120 N8 O4 -","4","1","YA6104","König, Verena; Schneider, Thomas R.; Frank, Eva; Aukszi, Beatrix; Schneider, Gyula; János Wölfling","3-Methoxy-1'-phenyl-4'β,5-dihydro-1<i>H</i>-pyrazolo[4',3':16,17]estra-1,3,5(10)-triene","Acta Crystallographica Section E","2002","58","8","o810","o811","10.1107/S160053680201125X","","","0.71073","MoKα","","0.047","0.038","","","0.089","0.092","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201703","6.033","0.001","11.805","0.001","14.354","0.001","90","","90","","90","","1022.3","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(L-lactato)diaquanickel(II)","","- C6 H14 Ni O8 -","- C6 H14 Ni O8 -","- C24 H56 Ni4 O32 -","4","1","YA6109","Zhou, Zhao-Hui; Ye, Jian-Jun; Zhong, Hao; Ng, Seik Weng","Diaquadi(<small>L</small>-lactato)nickel(II)","Acta Crystallographica Section E","2002","58","7","m326","m327","10.1107/S160053680200956X","","","0.71073","MoKα","","0.06","0.047","","","0.106","0.113","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201720","5.788","0.005","17.499","0.005","19.463","0.005","90","","90","","90","","1971.3","1.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 3-(diphenylphosphinoyl)-3-phenylpropionate","","- C23 H23 O3 P -","- C23 H23 O3 P -","- C92 H92 O12 P4 -","4","1","YA6130","Light, Mark E.; Murphy, Patrick J.; Hancock, Paul; Hursthouse, Michael B.","Ethyl 3-(diphenylphosphinoyl)-3-phenylpropionate","Acta Crystallographica Section E","2002","58","9","o990","o991","10.1107/S1600536802014642","","","0.71073","MoKα","","0.111","0.055","","","0.094","0.11","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201728","6.6552","0.0003","10.9949","0.0005","17.0794","0.0007","90","","90","","90","","1249.76","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dimethylphenyltin(IV) trifluoroacetate","catena-Poly(dimethylphenyltin-μ-trifluoroacetato-O;O')","","- C10 H11 F3 O2 Sn -","- C10 H11 F3 O2 Sn -","- C40 H44 F12 O8 Sn4 -","4","1","YA6139","Amini, Mostafa M.; Abadi, Shabnam Hossein; Mirzaee, Mahdi; Lügger, Thomas; Hahn, F. Ekkehardt; Ng, Seik Weng","<i>catena</i>-Poly[μ-trifluoroacetato-<i>O</i>:<i>O</i>'-dimethylphenyltin(IV)]","Acta Crystallographica Section E","2002","58","11","m650","m652","10.1107/S1600536802018779","","","0.71073","MoKα","","0.021","0.02","","","0.05","0.051","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201757","7.5087","0.0001","7.6412","0.0002","10.8952","0.0002","90","","90","","90","","625.12","0.02","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Triprasepdymium molybdenum heptaoxide","","- Mo O7 Pr3 -","- Mo O7 Pr3 -","- Mo4 O28 Pr12 -","4","1","BR6077","Barrier, N.; Gougeon, P.","Pr~3~MoO~7~","Acta Crystallographica Section E","2003","59","2","i22","i24","10.1107/S1600536803001892","","","0.7107","MoKα","","0.0309","0.0294","","","0.0656","0.0665","","","","","","1.054","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201777","7.396","0.002","16.46","0.003","30.263","0.006","90","","90","","90","","3684.2","1.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","R-(-)-5,6,9,10-tetrahydro-10- [(2-methyl-1H-imidazol-1-yl)-methyl]-4H-pyrido[3,2,1-jk]-carbazol-11(8H)-one monohydrochloride monohydrate","","- C20 H24 Cl N3 O2 -","- C20 H24 Cl N3 O2 -","- C160 H192 Cl8 N24 O16 -","8","2","BT6215","Jones, Peter G.; Möller, Hedwig; Finner, Emil","Cilansetron hydrochloride monohydrate, modification B (orthorhombic)","Acta Crystallographica Section E","2003","59","1","o41","o43","10.1107/S1600536802022481","","","0.71073","MoKα","","0.0815","0.0577","","","0.0949","0.1047","","","","","","1.153","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201787","10.626","0.004","16.048","0.005","16.58","0.007","90","","90","","90","","2827.3","1.8","178","2","178","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-dicyanotetrabenzo-pentacyclo[8.2.2.2^4,7^.0^2,9^.0^3,8^]hexadeca- 5,11,13,15-tetraene","","- C35 H23 Cl3 N2 -","- C35 H23 Cl3 N2 -","- C140 H92 Cl12 N8 -","4","1","BT6225","Jones, Peter G.; Bubenitschek, Peter; Hopf, Henning; Witulkski, Bernhard","A dimer of 7-cyanodibenzobarrelene","Acta Crystallographica Section E","2003","59","2","o167","o168","10.1107/S160053680300093X","","","0.71073","MoKα","","0.1352","0.0735","","","0.1765","0.2223","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201803","17.496","0.005","18.59","0.002","8.074","0.007","90","","90","","90","","2626","2","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(P)-N,N'-bis[(5-bromo-2-hydroxyphenyl)methylidene]- 6,6'-dimethyl-1,1'-biphenyl-2,2'-dimethanamine","","- C30 H26 Br2 N2 O2 -","- C30 H26 Br2 N2 O2 -","- C120 H104 Br8 N8 O8 -","4","1","BT6242","Linden, Anthony; Rippert, Andreas J.","({-})-(<i>P</i>)-<i>N,N</i>'-Bis[(5-bromo-2-hydroxyphenyl)methylidene]-6,6'-dimethyl-1,1'-biphenyl-2,2'-dimethanamine","Acta Crystallographica Section E","2003","59","4","o390","o392","10.1107/S1600536803004343","","","0.71073","MoKα","","0.1414","0.0482","","","0.0876","0.1055","","","","","","0.982","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2201825","8.8977","0.0014","19.524","0.003","21.445","0.003","90","","90","","90","","3725.4","1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,12,20-trihydroxy-3,5,8,11,13,16,19,21,24-nonamethyl-1,9,17- trioxacyclotetracosane-2,10,18-trione‒methanol‒water (1/2/1)","","- C32 H64 O12 -","- C32 H64 O12 -","- C128 H256 O48 -","4","1","BT6265","Flörke, Ulrich; Suwarso, Wahyudi Priyono; Gani, Ratna Layla; Krohn, Karsten; Wang, Xi","Dasypogalactone‒methanol‒water (1/2/1)","Acta Crystallographica Section E","2003","59","5","o638","o640","10.1107/S1600536803008055","","","0.71073","MoKα","","0.2175","0.0504","","","0.0646","0.0846","","","","","","0.863","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2201845","10.7729","0.0002","18.0442","0.0004","19.318","0.0005","90","","90","","90","","3755.19","0.15","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[Rh(R)-(+)-1,1-binaphthyl-2,2'-diamine](1,5-cyclo-octadiene)rhodium(I) trifluoromethanesulfonate diethyl ether disolvate","","- C37 H48 F3 N2 O5 Rh S -","- C37 H48 F3 N2 O5 Rh S -","- C148 H192 F12 N8 O20 Rh4 S4 -","4","1","CF6228","Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G.","[(<i>R</i>)-(+)-1,1-Binaphthyl-2,2'-diamine](1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate diethyl ether disolvate","Acta Crystallographica Section E","2003","59","1","m6","m7","10.1107/S1600536802022158","","","0.71073","MoKα","","0.0523","0.0383","","","0.077","0.0828","","","","","","1.016","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201879","5.691","0.004","6.902","0.003","34.044","0.002","90","","90","","90","","1337.2","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Hydroxy-2-methyl-3-benzoylchromene","","- C17 H14 O3 -","- C17 H14 O3 -","- C68 H56 O12 -","4","1","CI6194","M. Yogavel; D. Velmurugan; K. Sekar; H. Schenk; J. Fraanje; R. Peschar; S. Srinivasan; P. R. Athappan; Z. A. Rafi","3-Benzoyl-2-hydroxy-2-methylchromene","Acta Crystallographica Section E","2003","59","3","o266","o268","10.1107/S1600536803002411","","","1.5418","CuKα","","0.0542","0.0501","","","0.1587","0.1707","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201904","8.8291","0.0004","9.8819","0.0004","18.2053","0.0008","90","","90","","90","","1588.38","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,4a,12a-Hexahydro-2,5,5-trimethyl-1-H-[2]benzopyrano[3,2-c]coumarin","","- C19 H22 O3 -","- C19 H22 O3 -","- C76 H88 O12 -","4","1","CI6225","R. Krishna; S. Selvanayagam; M. Yogavel; D. Velmurugan; M. Shanmugasundaram; R. Raghunathan; S. Shanmuga Sundara Raj; H.-K. Fun","1,2,3,4,4a,12a-Hexahydro-2,5,5-trimethyl-1<i>H</i>-[2]benzopyrano[3,2-<i>c</i>]coumarin","Acta Crystallographica Section E","2003","59","6","o808","o809","10.1107/S1600536803009978","","","0.71073","MoKα","","0.0496","0.0418","","","0.1069","0.1138","","","","","","1.085","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201906","5.988","0.001","10.668","0.001","36.511","0.003","90","","90","","90","","2332.3","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16α,17α-Epoxy-20-oxopregn-5-ene-3β,21-diyl diacetate","","- C25 H34 O6 -","- C25 H34 O6 -","- C100 H136 O24 -","4","1","CM6028","Andrade, L. C. R.; Paixao, J.A.; de Almeida, M. J. M.; Martins, R. M. L. M.; Soares, H. I. M.; Moreno, M. J. S. M.; Sá e Melo, M. L.; Campos Neves, A. S.","16α,17α-Epoxy-20-oxopregn-5-ene-3β,21-diyl diacetate","Acta Crystallographica Section E","2003","59","3","o299","o301","10.1107/S1600536803002721","","","1.5418","CuKα","","0.0732","0.05","","","0.1365","0.1543","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201909","5.1447","0.0001","12.3264","0.0004","18.5357","0.0007","90","","90","","90","","1175.45","0.06","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-(+)-1,2-Diphenylethylenediamine","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","CM6032","Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G.","(1<i>R</i>,2<i>R</i>)-(+)-1,2-Diphenylethylenediamine","Acta Crystallographica Section E","2003","59","4","o455","o457","10.1107/S1600536803005385","","","0.71073","MoKα","","0.0392","0.0354","","","0.0799","0.0817","","","","","","1.094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201930","9.1222","0.0002","9.1647","0.0002","20.6053","0.0006","90","","90","","90","","1722.65","0.07","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(η^3^-allyl)[(S)-(+)-(2-pyrrolidinylmethyl)pyrrolidine]palladium(II) trifluomethanesulfonate","","- C13 H23 F3 N2 O3 Pd S -","- C13 H23 F3 N2 O3 Pd S -","- C52 H92 F12 N8 O12 Pd4 S4 -","4","1","CV6171","Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G.","(η^3^-Allyl)[(<i>S</i>)-(+)-(2-pyrrolidinylmethyl)pyrrolidine]palladium(II) trifluoromethanesulfonate","Acta Crystallographica Section E","2003","59","3","m105","m107","10.1107/S1600536803003507","","","0.71073","MoKα","","0.0484","0.0324","","","0.0639","0.0686","","","","","","1.026","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2201939","4.631","0.005","11.068","0.005","17.487","0.008","90","","90","","90","","896.3","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-Azulene-1-carboxaldehyde oxime","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","CV6182","Kedziorek Mariusz; Hafner, Klaus; Lindner, Hans J.","(<i>Z</i>)-Azulene-1-carboxaldehyde oxime","Acta Crystallographica Section E","2003","59","5","o657","o658","10.1107/S1600536803008146","","","0.71073","MoKα","","0.1843","0.0582","","","0.1165","0.1568","","","","","","0.925","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201977","6.6088","0.001","7.5837","0.0012","34.71","0.005","90","","90","","90","","1739.6","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-phenethylbiguanidium tetrachlorozinc(II)","N-phenethylbiguanidium tetrachlorozinc(II)","","- C10 H17 Cl4 N5 Zn -","- C10 H17 Cl4 N5 Zn -","- C40 H68 Cl16 N20 Zn4 -","4","1","FL6012","Zhu, Miaoli; Yang, Pin; Lu, Liping","<i>N</i>-Phenethylbiguanidium tetrachlorozincate(II)","Acta Crystallographica Section E","2003","59","2","m91","m94","10.1107/S1600536803001557","","","0.71073","MoKα","","0.0333","0.031","","","0.0623","0.0633","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2201983","6.6478","0.0005","12.8381","0.0008","23.3409","0.0009","90","","90","","90","","1992","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,8S,11S,16S,2R,5R,12R,15R,21R)-1-hydroxy-2,12-dimethyl-3-oxo-4,9,18- trioxahexacyclo[14.2.2^15,16^.0^2,21^.0^7,15^.0^8,12^]henicos-6-en-11-yl acetate","","- C22 H28 O7 -","- C22 H28 O7 -","- C88 H112 O28 -","4","1","FL6018","Robert A. Burrow; Ademir F. Morel; Ilmar B. Graebner; David H. Farrar; Alan J. Lough","The acetyl derivative of humirianthol","Acta Crystallographica Section E","2003","59","3","o347","o349","10.1107/S1600536803003374","","","0.71073","MoKα","","0.0865","0.0588","","","0.1308","0.1458","","","","","","1.031","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2201984","8.0961","0.0008","11.2954","0.0018","28.684","0.004","90","","90","","90","","2623.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diacetylated acrenol","3S,5R,6S,9S,10S,13R,15R,19R-3β,20-epoxy-3α-hydoroxy-15,16-diacetyl-7- pimaren-19,6β-olide 1-(1-hydroxy-2,9-dimethyl-3-oxo-4,15- dioxapentacyclo[11.2.2^15,13^.0^2,18^.0^7,12^]octadec-6-en-9-yl)- 2-methylcarbonyloxyethyl acetate","","- C25 H33 Cl3 O8 -","- C25 H33 Cl3 O8 -","- C100 H132 Cl12 O32 -","4","1","FL6019","Robert A. Burrow; Ademir F. Morel; Ilmar B. Graebner; Alan J. Lough; David H. Farrar","Absolute configuration of diacetylated acrenol as its chloroform solvate","Acta Crystallographica Section E","2003","59","3","o350","o352","10.1107/S1600536803003349","","","0.71073","MoKα","","0.0886","0.063","","","0.1505","0.1608","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201987","7.7811","0.0007","10.419","0.0009","15.3834","0.0012","90","","90","","90","","1247.15","0.18","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","trans-(3R,2aS)-(-)-3-Phenyl-2,3,5,6,7,8-hexahydro-oxazolo[3,2-a]pyridine- 5-thione","","- C13 H15 N O S -","- C13 H15 N O S -","- C52 H60 N4 O4 S4 -","4","1","FL6022","Roa, Luis-Fernando; Gnecco, Dino; Galindo, Alberto; Juárez, Jorge; Terán, Joel L.; Bernès, Sylvain","<i>trans</i>-(3<i>R</i>,2a<i>S</i>)-({-})-3-Phenyl-2,3,5,6,7,8-hexahydro-oxazolo[3,2-<i>a</i>]pyridine-5-thione","Acta Crystallographica Section E","2003","59","4","o519","o521","10.1107/S1600536803004720","","","0.71073","MoKα","","0.0986","0.0577","","","0.1435","0.1668","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2201992","6.004","0.001","10.451","0.001","23.79","0.003","90","","90","","90","","1492.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-{[(2-Hydroxyphenyl)methyl]methylamino}-1-phenylpropan-1-ol","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","FL6027","Yuan, Fang; Li, Yi-Zhi; Zhu, Chengjian; Pan, Yi; Xu, Lin-Lin","2-{[(2-Hydroxyphenyl)methyl]methylamino}-1-phenylpropan-1-ol","Acta Crystallographica Section E","2003","59","5","o608","o609","10.1107/S1600536803007311","","","0.71073","MoKα","","0.052","0.0409","","","0.0726","0.0743","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202011","10.1079","0.0007","11.4087","0.001","14.0354","0.0009","90","","90","","90","","1618.5","0.2","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","LH6027","Gregory M. Ferrence; Joel M. Esken; Jennifer R. Blackburn; Shawn R. Hitchcock","(5<i>S</i>,6<i>R</i>)-4,5-Dimethyl-6-phenyl-3-trimethylacetyl-2<i>H</i>-1,3,4-oxadiazinan-2-one","Acta Crystallographica Section E","2003","59","2","o212","o214","10.1107/S1600536803001314","","","0.71073","MoKα","","","0.0364","","","","0.0968","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202024","6.834","0.003","11.358","0.004","21.303","0.009","90","","90","","90","","1653.6","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[Dicarbonyl](eta-5-cyclopentadienyl)iron(II)]-mu-2-1,3-propandiyl- [dicarbonyl](eta-5-cyclopentadienyl)ruthenium(II)]","","- C17 H16 Fe O4 Ru -","- C17 H16 Fe O4 Ru -","- C68 H64 Fe4 O16 Ru4 -","4","1","LH6042","Friedrich, Holger B.; Howie, R. Alan; Onani, Martin O.","[Dicarbonyl(η^5^-cyclopentadienyl)iron(II)]-μ~2~-1,3-propanediyl-[dicarbonyl(η^5^-cyclopentadienyl)ruthenium(II)]","Acta Crystallographica Section E","2003","59","4","m145","m147","10.1107/S1600536803004732","","","0.71073","MoKα","","0.0259","0.0245","","","0.0615","0.0619","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202051","8.471","0.002","9.282","0.001","11.271","0.001","90","","90","","90","","886.2","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6S)-Methyl-3(3)-methylethyl-piperazine-2-one","","- C8 H16 N2 O -","- C8 H16 N2 O -","- C32 H64 N8 O4 -","4","1","NA6192","Sawatzki, Peter; Mikeska, Thomas; Sandhoff, Konrad; Nieger, Martin; Kolter, Thomas","6(<i>S</i>)-Methyl-3(<i>S</i>)-(1-methylethyl)piperazin-2-one","Acta Crystallographica Section E","2003","59","2","o171","o173","10.1107/S1600536803000862","","","1.54178","CuKα","","0.0321","0.0315","","","0.0721","0.0728","","","","","","1.122","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202059","14.4635","0.0007","17.337","0.001","29.388","0.002","90","","90","","90","","7369.1","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6^I^,6^II^-dideoxy-6^I^-(p-methylbenzylthio)-6^II^-phenylthio-β-cyclodextrin tetradecahydrate","","- C56 H110 O47 S2 -","- C56 H110 O47 S2 -","- C224 H440 O188 S8 -","4","1","NA6200","Lichtenthaler, Frieder W.; Lindner, Hans J.; Fujita, Kahee; Yuan, De-Qi; Ren, Yong","Guest differentiation in a 6^<b>I^</b>,6^<b>II^</b>-disubstituted β-cyclodextrin","Acta Crystallographica Section E","2003","59","4","o408","o411","10.1107/S1600536803004409","","","0.71073","MoKα","","0.1782","0.0962","","","0.2159","0.2553","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2202061","11.6099","0.0007","14.2132","0.0008","17.0508","0.001","90","","90","","90","","2813.6","0.3","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chloro(P-{2-[N-(2,6-diisopropylphenyl)iminomethyl]phenyl}- P,P-diphenylphosphine-κ^2^N,P)methylpalladium(II)","","- C32 H35 Cl N P Pd -","- C32 H35 Cl N P Pd -","- C128 H140 Cl4 N4 P4 Pd4 -","4","1","NA6202","Spek, Anthony L.","Chloro(<i>P</i>-{2-[<i>N</i>-(2,6-diisopropylphenyl)iminomethyl]phenyl}-<i>P,P</i>-diphenylphosphine-κ^2^<i>N,P</i>)methylpalladium(II)","Acta Crystallographica Section E","2003","59","3","m97","m98","10.1107/S160053680300299X","","","0.71073","MoKα","","0.0247","0.0227","","","0.0526","0.0533","","","","","","1.019","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202065","7.8114","0.0006","11.2988","0.0006","45.353","0.002","90","","90","","90","","4002.8","0.4","293","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Diethyl 4-(4-bromophenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxylate","","- C20 H18 Br N O4 S -","- C20 H18 Br N O4 S -","- C160 H144 Br8 N8 O32 S8 -","8","2","NA6206","Héctor Novoa de Armas; Oswald M. Peeters; Norbert M. Blaton; Camiel J. De Ranter; Margarita Suárez Navarro; Esperanza Salfrán Solano; Yamila Verdecia Reyes; Estael Ochoa Rodríguez","4-(4-Bromophenyl)-2,5-diethoxycarbonyl-6-methylthieno[2,3-<i>b</i>]pyridine","Acta Crystallographica Section E","2003","59","3","o384","o386","10.1107/S1600536803004100","","","1.5418","CuKα","","0.0498","0.0456","","0.1324","","0.1324","","","1.045","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202081","8.533","0.004","14.753","0.006","16.241","0.007","90","","90","","90","","2044.5","1.5","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[Dimethyl(dimethylamino)silicyl]benzyl-κ^2^C,N](N,N,N,N-tetramethylenediamine- κ^2^N,N)lithium(I)","","- C17 H34 Li N3 Si -","- C17 H34 Li N3 Si -","- C68 H136 Li4 N12 Si4 -","4","1","NA6222","He-Ping Shi; Dian-Sheng Liu; Shu-Ping Huang","[Benzyldimethyl(dimethylamino)silyl-κ^2^<i>C,N</i>](<i>N,N,N,N</i>-tetramethylenediamine-κ^2^<i>N,N</i>)lithium(I)","Acta Crystallographica Section E","2003","59","6","m319","m321","10.1107/S1600536803008997","","","0.71073","MoKα","","0.1656","0.0765","","","0.0817","0.1037","","","","","","0.834","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202090","7.93","0.005","8.147","0.005","20.58","0.005","90","","90","","90","","1329.6","1.2","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","NA6231","Billing, David G.; Lemmerer, Andreas","Bis[(<i>S</i>)-β-phenethylammonium] tribromoplumbate(II)","Acta Crystallographica Section E","2003","59","6","m381","m383","10.1107/S1600536803010985","","","0.71069","MoKα","","","0.0331","","","","0.065","","","","","","1.01","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202127","8.162","0.0005","9.7458","0.0006","19.5727","0.0011","90","","90","","90","","1556.91","0.16","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triaqua(1,10-phenanthroline)sulfatocadmium(II)","","- C12 H14 Cd N2 O7 S -","- C12 H14 Cd N2 O7 S -","- C48 H56 Cd4 N8 O28 S4 -","4","1","OB6230","Li, Xing; Cao, Rong; Bi, Wenhua; Sun, Daofeng; Hong, Maochun","Triaqua(1,10-phenanthroline)sulfatocadmium(II)","Acta Crystallographica Section E","2003","59","5","m230","m231","10.1107/S1600536803007360","","","0.71073","MoKα","","","0.0425","","","0.1048","0.1092","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202154","8.281","0.002","13.216","0.004","19.737","0.006","90","","90","","90","","2160.1","1.1","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Flavone","","","- C15 H10 O2 -","- C15 H10 O2 -","- C120 H80 O16 -","8","2","OM6138","Waller, Mark P.; Hibbs, David E.; Overgaard, Jacob; Hanrahan, Jane R.; Hambley, Trevor W.","Flavone","Acta Crystallographica Section E","2003","59","6","o767","o768","10.1107/S160053680300730X","","","0.71073","MoKα","","0.0418","0.0377","","","0.1043","0.1076","","","","","","1.078","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202162","8.848","0.005","12.843","0.002","21.551","0.004","90","","90","","90","","2448.9","1.5","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 O9 -","- C28 H24 O9 -","- C112 H96 O36 -","4","1","SU6010","Olivier Renaudet; Pascal Dumy; Christian Philouze; Marie-Thérèse Averbuch","Methyl 2,3,6-tri-<i>O</i>-benzoyl-α-<small>D</small>-<i>xylo</i>-hexopyranosid-4-ulose","Acta Crystallographica Section E","2003","59","3","o283","o284","10.1107/S1600536803002265","","","0.7107","MoKα","","0.0646","0.0646","","0.0346","","0.0346","","","1.93","","","1.93","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202169","7.829","0.001","13.874","0.001","14.079","0.001","90","","90","","90","","1529.3","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(12-benzoyl-10-oxa-12-azatetracyclo[6.3.1.0^2,7^.0^9,11^] dodeca-2,4,6-trien-1-yl)ethan-1-one","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","SU6017","Sema Öztürk; Mehmet Akkurt; Ebubekír Tepe; Frank W. Heinemann; Alíye (Alaylı) Altundaş; Yunus Kara","1-(12-Benzoyl-10-oxa-12-azatetracyclo[6.3.1.0^2,7^.0^9,11^]dodeca-2,4,6-trien-1-yl)ethan-1-one","Acta Crystallographica Section E","2003","59","5","o635","o637","10.1107/S1600536803007827","","","0.71073","MoKα","","0.0574","0.0385","","","0.0877","0.097","","","","","","0.977","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2202170","7.3107","0.0013","11.5702","0.0019","25.117","0.004","90","","90","","90","","2124.6","0.6","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-1-(6-Methoxy-2-naphthyl)-3-methyl-2-(p-methylphenylsulfonylamino)- 1-(6-methoxy-2-naphthyl)butan-1-ol","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C92 H108 N4 O16 S4 -","4","1","SU6018","Li, Xingshu; Jia, Xian; Zhou, Zhongyuan","(1<i>R</i>,2<i>S</i>)-1-(6-Methoxy-2-naphthyl)-3-methyl-2-(<i>p</i>-methylphenylsulfonylamino)-butan-1-ol","Acta Crystallographica Section E","2003","59","5","o706","o707","10.1107/S1600536803008092","","","0.71073","MoKα","","0.1306","0.0449","","","0.077","0.0907","","","","","","0.799","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202180","5.9646","0.0001","18.0749","0.0003","25.8911","0.0006","90","","90","","90","","2791.31","0.09","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","D-Mannitol 1,6-dibenzoate-2:4, 3:5-O2:O4, O3:O5 bis(phenylboronate)","","- C32 H28 B2 O8 -","- C32 H28 B2 O8 -","- C128 H112 B8 O32 -","4","1","TK6093","Duggan, Peter D.; Humphrey, David G.; Price, David J.; Tyndall, Edward M.","1,6-Dibenzoyloxy-2:4,3:5-<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^3^:<i>O</i>^5^-bis(phenylboronoyloxy)-<small>D</small>-mannitol","Acta Crystallographica Section E","2003","59","3","o372","o373","10.1107/S1600536803004069","","","0.71073","MoKα","","0.128","0.06","","","0.08","0.097","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202189","6.03","0.001","10.467","0.001","13.568","0.001","90","","90","","90","","856.36","0.18","298","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Δ-Aqua-S-citrato(2-)manganese(II)","","- C6 H8 Mn O8 -","- C6 H8 Mn O8 -","- C24 H32 Mn4 O32 -","4","1","TK6102","Deng, Yuan-Fu; Zhou, Zhao-Hui; Wan, Hui-Lin; Ng, Seik Weng","Δ-Aqua-<i>S</i>-citrato(2‒)manganese(II)","Acta Crystallographica Section E","2003","59","6","m310","m312","10.1107/S1600536803009383","","","0.71073","MoKα","","","0.048","","","0.094","0.094","","","","","","1.21","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202190","9.061","0.003","11.931","0.003","5.4924","0.0015","90","","90","","90","","593.8","0.3","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-methyl taurine","2-(methylamino)ethanesulfonic acid","","- C3 H9 N O3 S -","- C3 H9 N O3 S -","- C12 H36 N4 O12 S4 -","4","1","TK6103","John A. Kalaitzis; Priscila de Almeida Leone; Ronald J. Quinn; Peter C. Healy","Zwitterionic 2-(methylamino)ethanesulfonic acid","Acta Crystallographica Section E","2003","59","5","o726","o727","10.1107/S160053680300895X","","","0.7107","MoKα","","0.032","0.031","","","0.08","0.085","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202215","6.991","0.0002","9.676","0.0005","21.735","0.002","90","","90","","90","","1470.26","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-argininium bis(dihydrogen phosphate)","L-argininium bis(dihydrogen phosphate)","","- C6 H20 N4 O10 P2 -","- C6 H20 N4 O10 P2 -","- C24 H80 N16 O40 P8 -","4","1","WN6151","Reena Ittyachan; P. Sagayaraj; Babu Kothandapani","<small>L</small>-Argininium bis(dihydrogen phosphate)","Acta Crystallographica Section E","2003","59","6","o886","o888","10.1107/S1600536803009280","","","1.5418","CuKα","","0.0441","0.0439","","","0.1311","0.1317","","","","","","1.272","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202225","11.71","0.004","13.177","0.004","14.236","0.005","90","","90","","90","","2196.7","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6R,9S,13R,14S)-7,8-didehydro-3,7-dimethoxy- 17-methyl-6-phenylmorphinan-4,6-diol","","- C25 H29 N O4 -","- C25 H29 N O4 -","- C100 H116 N4 O16 -","4","1","WW6063","Li, Chun-Bao; Zhang,Wen-Qin; Wang, Chao","(6<i>R</i>,9<i>S</i>,13<i>R</i>,14<i>S</i>)-7,8-Didehydro-3,7-dimethoxy-17-methyl-6-phenylmorphinan-4,6-diol","Acta Crystallographica Section E","2003","59","4","o498","o500","10.1107/S1600536803005646","","","0.71073","MoKα","","0.1099","0.0436","","","","0.1062","","","","","","0.963","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202228","9.5168","0.0011","10.3952","0.0011","25.398","0.003","90","","90","","90","","2512.6","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","O,O'-(R)-(1,1'-Dinaphthyl-2,2'-diyl)-N,N'-benzyl-2- pyridinephosphoramidite","","- C32 H23 N2 O2 P -","- C32 H23 N2 O2 P -","- C128 H92 N8 O8 P4 -","4","1","WW6066","Liang, Liang; Guo, Rongwei; Zhou, Zhongyuan","<i>O,O</i>'-(<i>R</i>)-(1,1'-Dinaphthyl-2,2'-diyl) <i>N</i>-benzyl-<i>N</i>-(2-pyridyl)phosphoramidite","Acta Crystallographica Section E","2003","59","5","o599","o600","10.1107/S1600536803006640","","","0.71073","MoKα","","0.1421","0.0425","","","0.0466","0.0581","","","","","","0.895","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202259","6.4927","0.0009","12.194","0.0011","24.9681","0.0018","90","","90","","90","","1976.8","0.4","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O8 -","- C22 H20 O8 -","- C88 H80 O32 -","4","1","YA6159","Jian-Feng Shi; Yan-Guang Wang","(5a<i>R</i>,8a<i>R</i>,9<i>R</i>)-9-(3,4,5-Trimethoxyphenyl)-5a,6,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxole-5,8-dione","Acta Crystallographica Section E","2003","59","6","o756","o758","10.1107/S1600536803008948","","","0.71073","MoKα","","","0.033","","","","0.112","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202263","8.0217","0.0007","13.5313","0.0012","14.2383","0.0012","90","","90","","90","","1545.5","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-Oxotetrahydrothalifendine","10-Hydroxy-9-methoxy-5,6,13,13a-tetrahydro-[1,3]dioxolo[4,5-g] isoquino[3,2-a]isoquinolin-8-one","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C76 H68 N4 O20 -","4","1","AC6043","Aree, Thammarat; Singhana, Burapol; Pakawatchai, Chaveng; Chavasiri, Warinthorn; Kokpol, Udom","10-Hydroxy-9-methoxy-5,6,13,13a-tetrahydro[1,3]dioxolo[4,5-<i>g</i>]isoquino[3,2-<i>a</i>]isoquinolin-8-one","Acta Crystallographica Section E","2003","59","7","o919","o921","10.1107/S1600536803012327","","","0.71073","MoKα","","0.0649","0.0525","","","0.1079","0.1131","","","","","","1.116","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202265","13.1579","0.0004","14.2791","0.0005","15.721","0.0005","90","","90","","90","","2953.71","0.17","91","2","91","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Bis-chloro-{(N-2,6-diisopropylphenyl)-[(bis-2-pyridlymethyl)amino]- ethanamido}-iron(II) acetonitrile solvate","","","- C29 H37 Cl2 Fe N5 O -","- C29 H37 Cl2 Fe N5 O -","- C116 H148 Cl8 Fe4 N20 O4 -","4","1","AC6045","Marilyn M. Olmstead; Christina Troeltzsch; Timothy E. Patten","Dichloro{<i>N</i>-(2,6-diisopropylphenyl)-2-[(di-2-pyridylmethyl)amino]ethanamido}iron(II) acetonitrile solvate","Acta Crystallographica Section E","2003","59","7","m502","m503","10.1107/S160053680301345X","","","0.71073","MoKα","","0.033","0.0289","","","0.0733","0.0752","","","","","","1.068","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202285","12.4768","0.0004","14.1024","0.0004","22.1653","0.0007","90","","90","","90","","3900","0.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sodium-Monensin","Sodium monensin dihydrate","","- C36 H65 Na O13 -","- C36 H65 Na O13 -","- C144 H260 Na4 O52 -","4","1","AC6066","Almeida Paz, Filipe A.; Gates, Paul J.; Fowler, Stan; Gallimore, Andrew; Harvey, Barbara; Lopes, Norberto P.; Stark, Christian B. W.; Staunton, James; Klinowski, Jacek; Spencer, Jonathan B.","Sodium monensin dihydrate","Acta Crystallographica Section E","2003","59","11","m1050","m1052","10.1107/S1600536803022980","","","0.71073","MoKα","","0.0766","0.0624","","","0.1588","0.1678","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202299","6.6418","0.0004","9.9428","0.0006","14.0575","0.0008","90","","90","","90","","928.33","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dabconium phosphite","4-Aza-1-azoniabicyclo[2.2.2]octane dihydrogenphosphite","","- C6 H15 N2 O3 P -","- C6 H15 N2 O3 P -","- C24 H60 N8 O12 P4 -","4","1","BR6113","Harrison, William T. A.","4-Aza-1-azoniabicyclo[2.2.2]octane dihydrogenphosphite","Acta Crystallographica Section E","2003","59","9","o1351","o1353","10.1107/S1600536803018130","","","0.71073","MoKα","","0.0441","0.0366","","","0.0942","0.0979","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202300","6.7019","0.0001","11.9573","0.0002","18.0923","0.0004","90","","90","","90","","1449.86","0.05","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H22 Cl4 N2 Ni O4 -","- C6 H22 Cl4 N2 Ni O4 -","- C24 H88 Cl16 N8 Ni4 O16 -","4","1","BR6114","Bremner, Colin A.; Harrison, William T. A.","1,4-Diazoniabicyclo[2.2.2]octane triaquatrichloronickelate(II) chloride monohydrate","Acta Crystallographica Section E","2003","59","9","m797","m799","10.1107/S1600536803018555","","","0.71073","MoKα","","0.0275","0.0267","","","0.074","0.0745","","","","","","1.149","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202327","4.5292","0.0005","9.7807","0.001","21.622","0.002","90","","90","","90","","957.83","0.17","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","1","BT6295","Clegg, William; Heath, Sarah L.; Jackson, Richard F. W.; Palmer, Nicholas J.","[3<i>R</i>-(3β,4β,5β)]-3-(Acetylamino)-3,4-dihydro-4-hydroxy-5-(hydroxymethyl)furan-2(5<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2003","59","7","o1060","o1062","10.1107/S1600536803014120","","","0.71073","MoKα","","0.056","0.0382","","","0.0758","0.0824","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202344","6.7185","0.0003","16.5766","0.0008","20.2149","0.001","90","","90","","90","","2251.33","0.19","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Co N6 O9 -","- C17 H25 Co N6 O9 -","- C68 H100 Co4 N24 O36 -","4","1","BT6314","Panosyan, Francis B.; Lough, Alan J.; Chin, Jik","{2,6-Bis[(4<i>R</i>)-(+)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-κ^3^<i>N</i>}trinitrocobalt(III) monohydrate","Acta Crystallographica Section E","2003","59","8","m695","m697","10.1107/S160053680301643X","","","0.71073","MoKα","","0.1026","0.0669","","","0.134","0.1533","","","","","","1.06","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202351","5.524","0.004","14.988","0.011","23.557","0.018","90","","90","","90","","1950","3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2(S)-(N-fluoren-9-ylmethoxycarbonylamino)-3-(2-pyridyl)propionate","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","BT6321","Clegg, William; Horsburgh, Lynne","Methyl 2(<i>S</i>)-(<i>N</i>-fluoren-9-ylmethoxycarbonylamino)-3-(2-pyridyl)propionate","Acta Crystallographica Section E","2003","59","9","o1257","o1258","10.1107/S1600536803017240","","","0.71073","MoKα","","0.1133","0.0517","","","0.0766","0.0902","","","","","","0.797","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202370","7.0005","0.0003","10.8221","0.0004","16.7241","0.0006","90","","90","","90","","1267.02","0.08","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dimethyl-4-fluorophenyltin trifluoroacetate","catena-Poly[μ-trifluoroacetato-O:O'-dimethyl-4-fluorophenyltin(IV)]","","- C10 H10 F4 O2 Sn -","- C10 H10 F4 O2 Sn -","- C40 H40 F16 O8 Sn4 -","4","1","BT6340","Amini, Mostafa M.; Abadi, Shabnam Hossein; Mirzaee, Mahdi; Yang, Shi-Yao; Ng, Seik Weng","<i>catena</i>-Poly[μ-trifluoroacetato-<i>O</i>:<i>O</i>'-dimethyl-4-fluorophenyltin(IV)]","Acta Crystallographica Section E","2003","59","10","m847","m848","10.1107/S1600536803019299","","","0.71073","MoKα","","0.033","0.03","","","0.06","0.061","","","","","","0.92","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202405","9.2875","0.0007","12.3181","0.0009","18.9028","0.0013","90","","90","","90","","2162.6","0.3","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-Butyl (2R)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-iodopropionate","","- C22 H24 I N O4 -","- C22 H24 I N O4 -","- C88 H96 I4 N4 O16 -","4","1","BT6377","Clegg, William; Horsburgh, Lynne","<i>tert</i>-Butyl (2<i>R</i>)-2-(9<i>H</i>-Fluoren-9-ylmethoxycarbonylamino)-3-iodopropionate","Acta Crystallographica Section E","2003","59","12","o1925","o1926","10.1107/S1600536803025467","","","0.71073","MoKα","","0.0338","0.0259","","","0.0489","0.0508","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202407","5.4266","0.0008","7.2419","0.0012","12.445","0.002","90","","90","","90","","489.07","0.13","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H5 N O3 -","- C4 H5 N O3 -","- C16 H20 N4 O12 -","4","1","BT6380","Jones, Peter G.","<i>N</i>-Hydroxysuccinimide","Acta Crystallographica Section E","2003","59","12","o1951","o1952","10.1107/S1600536803025704","","","0.71073","MoKα","","0.0439","0.0409","","","0.1056","0.1085","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202411","9.1813","0.001","10.7862","0.0012","12.7242","0.0014","90","","90","","90","","1260.1","0.2","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-tert-Butyl 2-methyl 4-(R)-hydroxypyrrolidine-1,2-(2S)-dicarboxylate","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C44 H76 N4 O20 -","4","1","BT6386","Clegg, William; Deboves, Hervé J. C.; Elsegood, Mark R. J.","1-<i>tert</i>-Butyl 2-methyl 4-(<i>R</i>)-hydroxypyrrolidine-1,2-(2<i>S</i>)-dicarboxylate","Acta Crystallographica Section E","2003","59","12","o1987","o1989","10.1107/S1600536803026412","","","0.71073","MoKα","","0.038","0.03","","","0.074","0.075","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202431","11.97","0.002","12.27","0.003","12.758","0.003","90","","90","","90","","1873.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O3 P Rh -","- C16 H26 O3 P Rh -","- C64 H104 O12 P4 Rh4 -","4","1","CF6271","Edgar Ocando-Mavarez; Julián Ascanio; Teresa González; Reinaldo Atencio; Merlín Rosales","(Acetylacetonato)carbonyl[diallyl(<i>tert</i>-butyl)phosphine]rhodium(I)","Acta Crystallographica Section E","2003","59","8","m633","m635","10.1107/S1600536803015691","","","0.71073","MoKα","","0.0264","0.0216","","","0.0471","0.0487","","","","","","1.051","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202446","7.3092","0.0001","12.9075","0.0002","26.3277","0.0006","90","","90","","90","","2483.85","0.08","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trans-Bis[(S)-(-)-2-aminomethyl-1-ethylpyrrolidine-κ^2^N]palladium(II) dichloride methanol trisolvate","","- C17 H44 Cl2 N4 O3 Pd -","- C17 H44 Cl2 N4 O3 Pd -","- C68 H176 Cl8 N16 O12 Pd4 -","4","1","CF6288","Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G.; Klinowski, Jacek","<i>trans</i>-Bis[(<i>S</i>)-({-})-2-aminomethyl-1-ethylpyrrolidine-κ^2^<i>N</i>]palladium(II) dichloride methanol trisolvate","Acta Crystallographica Section E","2003","59","11","m1031","m1034","10.1107/S1600536803022943","","","0.71073","MoKα","","0.047","0.036","","","0.071","0.075","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202460","7.538","0.002","13.71","0.003","27.629","0.008","90","","90","","90","","2855.3","1.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aR,6bR,12aR)-10-Hydroxy-2,2,4a,6b,9,9,12a-heptamethyl- 2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro- 1H-picene-6a-carboxylic acid methanol solvate","","- C31 H52 O4 -","- C31 H52 O4 -","- C124 H208 O16 -","4","1","CI6226","Hong-Xiang Sun; Yi-Ping Ye; Kui-Wu Wang; Yuan-Jiang Pan","3β-Hydroxyolean-12-en-27-oic acid methanol solvate: a cytotoxic and apoptosis-inducing triterpenoid from the rhizome of <i>Astilbe chinensis</i>","Acta Crystallographica Section E","2003","59","7","o989","o991","10.1107/S1600536803012571","","","0.71073","MoKα","","0.0975","0.0573","","","0.1439","0.1577","","","","","","0.888","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202470","5.587","0.004","9.822","0.005","11.813","0.009","90","","90","","90","","648.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-aspartic acid monohydrate","L-aspartic acid monohydrate","","- C4 H9 N O5 -","- C4 H9 N O5 -","- C16 H36 N4 O20 -","4","1","CI6237","K. Umadevi; K. Anitha; B. Sridhar; N. Srinivasan; R. K. Rajaram","<small>L</small>-Aspartic acid monohydrate","Acta Crystallographica Section E","2003","59","7","o1073","o1075","10.1107/S1600536803014041","","","0.70165","MoKα","","0.0626","0.0613","","","0.1711","0.1734","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202488","11.468","0.0007","15.5987","0.0009","6.706","0.002","90","","90","","90","","1199.6","0.4","298.2","","298.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Gemcitabine Hydrochloride","2'-deoxy-2',2'-difluorocytidine monohydrochloride","","- C9 H12 Cl F2 N3 O4 -","- C9 H12 Cl F2 N3 O4 -","- C36 H48 Cl4 F8 N12 O16 -","4","1","CI6255","A. Sivalakshmidevi; K. Vyas; S. D. V. N. Sivaram; P. Veerabhadra Swamy; Ramachandra Puranik; P. Sairam; G. Om Reddy","2'-Deoxy-2',2'-difluorocytidine monohydrochloride (Gemcitabine hydrochloride)","Acta Crystallographica Section E","2003","59","10","o1435","o1437","10.1107/S1600536803018816","","","1.5418","CuKα","","","0.06","","","","0.06","","","","","","1.134","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2202509","7.6426","0.0004","9.1932","0.0005","54.362","0.003","90","","90","","90","","3819.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","14β-hydroxy-3β-o-(L-thevetosyl)-5β-card-20(22)-enolide dichloroform solvate","","- C32 H48 Cl6 O8 -","- C32 H48 Cl6.001 O8 -","- C128 H192 Cl24.004 O32 -","4","1","CI6278","Saroj Cheenpracha; Suchada Chantrapromma; Chatchanok Karalai; Shazia Anjum; Kan Chantrapromma; Azhar Abdul Rahman; Xue-Mei Li; Hoong-Kun Fun","Absolute configuration of 14β-hydroxy-3β-<i>O</i>-(<small>L</small>-thevetosyl)-5β-card-20(22)-enolide chloroform disolvate","Acta Crystallographica Section E","2003","59","11","o1694","o1696","10.1107/S1600536803021822","","","0.71073","MoKα","","0.113","0.077","","","0.1974","0.2265","","","","","","1.04","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2202525","5.5848","0.0001","8.0987","0.0002","31.2943","0.0006","90","","90","","90","","1415.43","0.05","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(4-Butylphenyl)salicylaldimine","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","CI6295","Thamotharan, S.; Parthasarathi, V.; Anitha, S.M.; Prasad, Archana; Rao, T.R.; Linden, Anthony","<i>N</i>-(4-Butylphenyl)salicylaldimine at 160K","Acta Crystallographica Section E","2003","59","11","o1856","o1857","10.1107/S1600536803024231","","","0.71073","MoKα","","0.0647","0.0435","","","0.1002","0.1115","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202526","6.2333","0.0007","10.4182","0.0012","22.788","0.003","90","","90","","90","","1479.8","0.3","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Hydroxy-3-tert-butyl-5-methylazobenzene","2-tert-butyl-4-metyl-6-(phenyldiazenyl)phenol","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C68 H80 N8 O4 -","4","1","CI6296","Kocaokutgen, Hasan; Soylu, M. Serkan; Lörnecke, Peter; Özkınalı, Sevil","2-<i>tert</i>-Butyl-4-methyl-6-(phenyldiazenyl)phenol","Acta Crystallographica Section E","2003","59","12","o1932","o1934","10.1107/S1600536803025261","","","0.71073","MoKα","","0.0446","0.0369","","","0.0853","0.0894","","","","","","1.07","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2202536","11.1814","0.0003","19.7359","0.0004","20.3672","0.0004","90","","90","","90","","4494.53","0.18","180","2","180","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","(η^3^-allyl)[(R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl]palladium(II) trifluoromethanesulfonate dichloromethane solvate","","- C49 H39 Cl2 F3 O3 P2 Pd S -","- C49 H39 Cl2 F3 O3 P2 Pd S -","- C196 H156 Cl8 F12 O12 P8 Pd4 S4 -","4","1","CM6046","Jones, Matthew D.; Almeida Paz, Filipe A.; Davies, John E.; Johnson, Brian F. G.; Klinowski, Jacek","(η^3^-Allyl)[(<i>R</i>)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]palladium(II) trifluoromethanesulfonate dichloromethane solvate","Acta Crystallographica Section E","2003","59","7","m538","m540","10.1107/S1600536803012741","","","0.71073","MoKα","","0.0538","0.0406","","","0.0705","0.0747","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202570","4.0213","0.0001","6.912","0.0001","23.0998","0.0003","90","","90","","90","","642.06","0.02","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-nitro-7,8-diazapentalene","1-nitro-7,8-diazapentalene","","- C6 H5 N3 O2 -","- C6 H5 N3 O2 -","- C24 H20 N12 O8 -","4","1","CV6219","Butcher, Ray J.; Bottaro, Jeffrey C.; Gilardi, R.","1-Nitro-7,8-diazapentalene","Acta Crystallographica Section E","2003","59","11","o1777","o1779","10.1107/S160053680302004X","","","1.54178","CuKα","","0.0356","0.0345","","","0.092","0.0929","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202574","6.702","0.002","13.099","0.005","14.893","0.003","90","","90","","90","","1307.4","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 N2 O6 -","- C12 H22 N2 O6 -","- C48 H88 N8 O24 -","4","1","CV6223","Furneaux, Richard H.; Gainsford, Graeme J.; Mason, Jennifer M.; Tyler, Peter C.","(1<i>R</i>,2<i>R</i>,3<i>S</i>,5<i>R</i>,6<i>R</i>,7<i>S</i>,9a<i>R</i>,10a<i>R</i>)-4a,8a-Diazaperhydroanthracene-1,2,3,5,6,7-hexaol","Acta Crystallographica Section E","2003","59","9","o1370","o1371","10.1107/S1600536803018397","","","0.71073","MoKα","","0.066","0.046","","","0.087","0.094","","","","","","0.976","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2202625","9.836","0.003","13.065","0.004","14.391","0.004","90","","90","","90","","1849.3","1","123","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(-)-Membrenone C","(2S,2'R,3S,3'S)-(1S)-2,2'-ethane-1,1-diylbis(6-ethyl-3,5-dimethyl-2,3-dihydro- 4H-pyran-4-one)","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","DN6104","Sampson, Rebecca A.; Perkins, Michael V.; Taylor, Max R.","Conformation of (‒)-membrenone-C","Acta Crystallographica Section E","2003","59","12","o1867","o1868","10.1107/S1600536803024796","","","0.71073","MoKα","","","0.04","","","","0.079","","","","","","1.203","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202629","17.884","0.001","8.9233","0.0006","22.395","0.002","90","","90","","90","","3573.9","0.4","133.2","","133.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H47 O5 P -","- C41 H47 O5 P -","- C164 H188 O20 P4 -","4","1","FL6040","Benjamin L. Rupert; Bryan E. F. Tiedemann; Sarah M. Vespremi","(1<i>R</i>,7<i>R</i>)-4-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexoxy]-9,9-dimethyl-2,2,6,6-tetraphenyl-3,5,8,10-tetraoxa-4-phosphabicyclo[5.3.0]decane","Acta Crystallographica Section E","2003","59","7","o934","o935","10.1107/S1600536803012169","","","0.7107","MoKα","","0.0804","0.0378","","0.0487","0.0394","0.0394","","","","","","0.964","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202650","8.227","0.001","14.098","0.001","22.178","0.001","90","","90","","90","","2572.3","0.4","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(P)-4-(p-chlorophenyl)-3-{2-[4-(p- toluenesulfonyl)piperazino]ethoxy}thiazole-2(3H)-thione","","- C22 H24 Cl N3 O3 S3 -","- C22 H24 Cl N3 O3 S3 -","- C88 H96 Cl4 N12 O12 S12 -","4","1","FL6063","Hartung, Jens; Špehar, Kristina; Svoboda, Ingrid; Fuess, Hartmut","The N—O bond as an element of chirality: (<i>P</i>)-4-(<i>p</i>-chlorophenyl)-3-{2-[4-(<i>p</i>-toluenesulfonyl)piperazino]ethoxy}thiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2003","59","12","o1894","o1895","10.1107/S1600536803024814","","","0.71073","MoKα","","0.1108","0.0621","","","0.1142","0.1353","","","","","","0.974","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202656","7.473","0.001","8.082","0.001","32.6","0.005","90","","90","","90","","1968.9","0.5","298","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O S -","- C23 H25 N O S -","- C92 H100 N4 O4 S4 -","4","1","FL6070","Erica Martin; A. Leigh Winfrey; Jason B. Human; C. Zachary Carlin; Daniel S. Jones; Craig A. Ogle","(<i>S</i>)-2-(Methoxydiphenylmethyl)-1-(thiophen-3-ylmethyl)pyrrolidine","Acta Crystallographica Section E","2003","59","12","o1970","o1971","10.1107/S1600536803026035","","","1.5418","CuKα","","","0.0437","","","","0.1214","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202661","10.236","0.002","10.947","0.002","16.278","0.002","90","","90","","90","","1824","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-6-benzyl-17-oxosparteine","","- C22 H30 N2 O -","- C22 H30 N2 O -","- C88 H120 N8 O4 -","4","1","HG6002","Gadepalli, Rama Sarma V. S.; Murty, Madugula S. R.; Slauson, Stephen R.; Rimoldi, John M.; Fronczek, Frank R.","(+)-6-Benzyl-17-oxosparteine","Acta Crystallographica Section E","2003","59","11","o1832","o1834","10.1107/S1600536803023808","","","0.71073","MoKα","","0.037","0.034","","","0.087","0.089","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202668","6.01","0.0012","7.8502","0.0016","25.258","0.005","90","","90","","90","","1191.7","0.4","173","","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N S -","- C15 H11 N S -","- C60 H44 N4 S4 -","4","1","LH6061","Jerdioui, Badia; Jorti, Ahmed; Chami, Zoubida; Elachqar, Abdelrhani; Zenkouar, Mohammed; El Bali, Brahim; Bolte, Michael","<i>trans</i>-1-(2-Quinolyl)-2-(2-thienyl)ethylene","Acta Crystallographica Section E","2003","59","7","o924","o925","10.1107/S1600536803010572","","","0.71073","MoKα","","0.0733","0.0461","","","0.0972","0.1088","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202685","7.018","0.006","8.818","0.007","18.76","0.016","90","","90","","90","","1161","1.7","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 N2 O2 S -","- C9 H16 N2 O2 S -","- C36 H64 N8 O8 S4 -","4","1","LH6082","Song, Jian; Li, Xiao-Jun; Wu, Xiao-Ping; Lou, Ke-Xia; Feng, Rong-Xiu","(2<i>S</i>)-4-(Methylsulfanyl)-2-(pyrrolidin-1-yl)butanamide","Acta Crystallographica Section E","2003","59","9","o1290","o1292","10.1107/S1600536803016374","","","0.71073","MoKα","","0.0884","0.0621","","","","0.1197","","","","","","1.079","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2202722","7.0596","0.0003","9.1575","0.0004","22.631","0.001","90","","90","","90","","1463.06","0.11","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Hexaamminechromium(III) diaquatetrachlorosodium(I)","","- Cl4 Cr H22 N6 Na O2 -","- Cl4 Cr H22 N6 Na O2 -","- Cl16 Cr4 H88 N24 Na4 O8 -","4","1","LH6127","Alig, Edith; Fink, Lothar; Bolte, Michael","Hexaamminechromium(III) diaquatetrachlorosodium(I)","Acta Crystallographica Section E","2003","59","11","i154","i155","10.1107/S160053680302378X","","","0.71073","MoKα","","0.0606","0.0374","","","0.065","0.0726","","","","","","1.057","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2202747","6.751","0.001","11.99","0.001","13.061","0.001","90","","90","","90","","1057.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Amino-8-(1-aminoethylidene)-8H-tetrazolo[1,5-a]pyridin-7-one dihydrate","","- C7 H12 N6 O3 -","- C7 H12 N6 O3 -","- C28 H48 N24 O12 -","4","1","NA6250","Stefania Fusi; Donato Donati; Fabio Ponticelli","5-Amino-8-(1-aminoethylidene)-8<i>H</i>-tetrazolo[1,5-<i>a</i>]pyridin-7-one dihydrate","Acta Crystallographica Section E","2003","59","11","o1589","o1591","10.1107/S1600536803021366","","","0.71073","MoKα","","0.099","0.0511","","","0.1064","0.1239","","","","","","0.99","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2202761","8.872","0.0007","10.81","0.0011","21.9284","0.0019","90","","90","","90","","2103.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-{(2E)-2-[(Aminocarbonothioyl)hydrazono]-2-(3-mesityl-3- methylcyclobutyl)ethyl}pyrrolidine-2,5-dione","","- C21 H28 N4 O2 S -","- C21 H28 N4 O2 S -","- C84 H112 N16 O8 S4 -","4","1","NA6266","Karakurt, Tuncay; Dinçer, Muharrem; Yılmaz, İbrahim; Çukurovalı, Alaaddın","1-{(2<i>E</i>)-2-[(Aminocarbonothioyl)hydrazono]-2-(3-mesityl-3-methylcyclobutyl)ethyl}pyrrolidine-2,5-dione","Acta Crystallographica Section E","2003","59","12","o1997","o1999","10.1107/S1600536803026096","","","0.71073","MoKα","","0.075","0.043","","","0.101","0.11","","","","","","0.88","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202797","6.4168","0.0016","11.505","0.003","24.943","0.006","90","","90","","90","","1841.4","0.8","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Dimethylaminopyridinium 4-nitrophenolate/4-nitrophenol","","- C19 H20 N4 O6 -","- C19 H20 N4 O6 -","- C76 H80 N16 O24 -","4","1","OB6278","Nagarajan Vembu; Maruthai Nallu; Elinor C. Spencer; Judith A. K. Howard","4-Dimethylaminopyridinium‒4-nitrophenolate‒4-nitrophenol (1/1/1)","Acta Crystallographica Section E","2003","59","8","o1192","o1195","10.1107/S1600536803016179","","","0.71073","MoKα","","0.0581","0.0412","","","0.0616","0.0647","","","","","","1.088","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2202829","7.716","0.001","14.495","0.002","27.526","0.005","90","","90","","90","","3078.6","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Alisol B monoacetate","11-hydroxy-24,25-epoxy-3-oxoprotost-13(17)-en-23-yl acetate","","- C32 H50 O5 -","- C32 H50 O5 -","- C128 H200 O20 -","4","1","OB6316","Yi-Ping Ye; Cui-Rong Sun; Xiao-Yu Li; Hong-Xiang Sun; Yuan-Jiang Pan","Alisol B monoacetate from the rhizome of <i>Alisma orientale</i>","Acta Crystallographica Section E","2003","59","11","o1858","o1859","10.1107/S1600536803024620","","","0.71073","MoKα","","0.087","0.0373","","","0.0771","0.0862","","","","","","0.801","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202841","10.1973","0.0007","10.8295","0.0007","21.91","0.001","90","","90","","90","","2419.6","0.3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-N-(1-Phenethylpiperidin-1-ium-3-ylmethyl)-N-phenylpropionamide trifluoroacetate","","- C25 H31 F3 N2 O3 -","- C25 H31 F3 N2 O3 -","- C100 H124 F12 N8 O12 -","4","1","OM6150","Liming Shao; Gregory D. Cuny; James R. Hauske; Richard J. Staples","(<i>S</i>)-<i>N</i>-(1-Phenylethylpiperidin-1-ium-3-ylmethyl)-<i>N</i>-phenylpropionamide trifluoroacetate","Acta Crystallographica Section E","2003","59","9","o1398","o1399","10.1107/S1600536803015654","","","0.71073","MoKα","","0.0501","0.0469","","","0.1213","0.1248","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2202859","9.866","0.003","16.092","0.005","18.392","0.005","90","","90","","90","","2920","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","swietenine","swietenine","","- C32 H40 O9 -","- C32 H40 O9 -","- C128 H160 O36 -","4","1","OM6168","K. Anand Solomon; R. Malathi; S. S. Rajan; S. Narasimhan; M. Nethaji","Swietenine","Acta Crystallographica Section E","2003","59","10","o1519","o1521","10.1107/S1600536803020476","","","0.71073","MoKα","","0.0526","0.0467","","","0.1271","0.132","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202897","9.427","0.006","11.692","0.007","13.501","0.008","90","","90","","90","","1488.1","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-Hydroxynaphthylmethyl)-(L)-proline Methyl Ester","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","SU6039","Zheng, Peng-Wu; Li, Chun-Bao","<i>N</i>-(2-Hydroxynaphthylmethyl)-(<i>S</i>)-proline methyl ester","Acta Crystallographica Section E","2003","59","11","o1621","o1623","10.1107/S1600536803019482","","","0.71073","MoKα","","0.1035","0.0526","","","","0.1191","","","","","","1.099","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202906","6.1921","0.0001","11.9609","0.0003","16.5666","0.0003","90","","90","","90","","1226.97","0.04","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Di-2-pyridylthiourea monohydrate","","- C11 H12 N4 O S -","- C11 H12 N4 O S -","- C44 H48 N16 O4 S4 -","4","1","SU6048","Zhong, Hui-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun; Ng, Seik Weng","1,3-Di-2-pyridylthiourea monohydrate","Acta Crystallographica Section E","2003","59","11","o1596","o1598","10.1107/S1600536803021597","","","0.71073","MoKα","","0.049","0.041","","","0.085","0.089","","","","","","0.95","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202914","10.0967","0.001","21","0.002","27.39","0.003","90","","90","","90","","5807.5","1","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H49 Cl3 N2 O14 P2 -","- C57 H49 Cl3 N2 O14 P2 -","- C228 H196 Cl12 N8 O56 P8 -","4","1","TK6106","Chen,Hua; Wu, Jing; Guo, Rongwei; Yeung, Chihung; Zhou, Zhongyuan","(<i>S</i>)-2,2',6,6'-Tetramethoxy-4,4'-bis(diphenylphosphino)-3,3'-bipyridine‒(2<i>S</i>,3<i>S</i>)-(+)-dibenzoyl-<small>L</small>-tartaric acid‒chloroform (1/1/1)","Acta Crystallographica Section E","2003","59","9","o1254","o1256","10.1107/S1600536803016623","","","0.71073","MoKα","","0.084","0.053","","","0.134","0.147","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","201210","2020-10-21","18:00:00",""
"2202919","9.2756","0.0015","27.43","0.004","7.8548","0.0012","90","","90","","90","","1998.5","0.5","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-Allyl-N-(2-nitrobenzenesulfonyl)-L-phenylalanine methyl ester","","- C19 H20 N2 O6 S -","- C19 H20 N2 O6 S -","- C76 H80 N8 O24 S4 -","4","1","TK6115","Sally-Ann Poulsen; Cassandra L. Noack; Peter C. Healy","<i>N</i>-Allyl-<i>N</i>-(2-nitrobenzenesulfonyl)-<small>L</small>-phenylalanine methyl ester","Acta Crystallographica Section E","2003","59","7","o967","o968","10.1107/S160053680301256X","","","0.7107","MoKα","","0.064","0.04","","","0.111","0.123","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202921","6.5888","0.0009","7.4342","0.001","15.303","0.002","90","","90","","90","","749.58","0.17","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R*,5S*,6S*,7R*)-6,7-Dihydroxy-6-hydroxymethyl-2-oxabicyclo[3.2.0]heptan-3-one","","- C7 H10 O5 -","- C7 H10 O5 -","- C28 H40 O20 -","4","1","TK6117","Caddy, Judy; Williams, D. Bradley G.; Roodt, Andreas; Muller, Alfred","(1<i>R</i>*,5<i>S</i>*,6<i>S</i>*,7<i>R</i>*)-6,7-Dihydroxy-6-hydroxymethyl-2-oxabicyclo[3.2.0]heptan-3-one","Acta Crystallographica Section E","2003","59","8","o1095","o1097","10.1107/S1600536803014557","","","0.71073","MoKα","","0.043","0.03","","","0.068","0.072","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202961","8.7466","0.001","8.8637","0.001","20.72","0.003","90","","90","","90","","1606.4","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-dibenzylthymine","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","WN6181","Jin-Chang Ding; Miao-Chang Liu; Hong-Ping Xiao; Mao-Lin Hu","1,3-Dibenzylthymine","Acta Crystallographica Section E","2003","59","10","o1488","o1489","10.1107/S160053680301986X","","","0.71073","MoKα","","0.0545","0.0388","","","0.0909","0.0977","","","","","","0.969","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202963","13.754","0.002","21.026","0.007","9.1287","0.001","90","","90","","90","","2639.9","1","297","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 O7 -","- C29 H40 O7 -","- C116 H160 O28 -","4","1","WN6183","Ohba, Shigeru; Chinen, Ayako; Matsumoto, Yuki; Chida, Noritaka","(+)-(1<i>S</i>,2<i>S</i>,4<i>S</i>,4a<i>R</i>,5<i>R</i>,6<i>S</i>,9<i>S</i>,10<i>S</i>)-4-Benzyloxy-9,10-(carbonyldioxy)-1-methoxymethoxy-4a,6,8,8-tetramethyl-7-methylenedodecahydro-6,9-ethanobenzocyclooctene-5-ol","Acta Crystallographica Section E","2003","59","10","o1476","o1477","10.1107/S1600536803019871","","","0.7107","MoKα","","","0.0422","","","","0.1258","","","","","","1.017","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202966","11.322","0.006","19.903","0.009","25.828","0.016","90","","90","","90","","5820","5","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-butoxycarbonyl-L-leucyl-L-alanine ethyl ester","","- C16 H30 N2 O5 -","- C16 H30 N2 O5 -","- C192 H360 N24 O60 -","12","3","WN6186","Oku, Hiroyuki; Yamada, Keiichi; Katakai, Ryoichi","N—H···O=C hydrogen bonding and O···O=C repulsive interactions in <i>tert</i>-butoxycarbonyl-<small>L</small>-leucyl-<small>L</small>-alanine ethyl ester (Boc-<small>L</small>-Leu-<small>L</small>-Ala-OEt)","Acta Crystallographica Section E","2003","59","10","o1581","o1583","10.1107/S1600536803020889","","","1.5418","CuKα","","","0.067","","","","0.159","","","","","","1.431","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202967","5.987","0.004","12.604","0.008","24.469","0.015","90","","90","","90","","1846","2","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-tert-Butyl-4-methyl-6-(1-piperidiniomethyl)phenol bromide","","- C17 H28 Br N O -","- C17 H28 Br N O -","- C68 H112 Br4 N4 O4 -","4","1","WN6187","Miao Du; Xiao-Jun Zhao","2-<i>tert</i>-Butyl-4-methyl-6-(1-piperidiniomethyl)phenol bromide","Acta Crystallographica Section E","2003","59","10","o1586","o1588","10.1107/S1600536803021299","","","0.71073","MoKα","","0.133","0.0634","","","0.0987","0.1224","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2202969","6.0284","0.0004","10.85","0.002","26.921","0.003","90","","90","","90","","1760.9","0.4","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 F O3 -","- C20 H29 F O3 -","- C80 H116 F4 O12 -","4","1","WN6189","Guilardi, Silvana; Resende, Jackson Antônio Lamounier Camargos; Gambardella, Maria Teresa do Prado; Demuner, Antonio Jacinto; Barbosa, Luis Claudio de Almeida; Piló-Veloso, Dorila","21α-Fluoro-7-nor-12,13,15,16-tetrahydrovouacapane-17β,21α-lactone","Acta Crystallographica Section E","2003","59","12","o1935","o1937","10.1107/S1600536803023997","","","0.71073","MoKα","","","0.0429","","","","0.1073","","","","","","0.999","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203024","11.8945","0.0003","19.2698","0.0004","27.0279","0.0006","90","","90","","90","","6194.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Benzoyl-3-cyclohexyl-4-(p-methoxyphenyl)-5-phenylpyrrolidine-3-spiro- 3'-chroman-4'-one","","- C38 H37 N O4 -","- C38 H37 N O4 -","- C304 H296 N8 O32 -","8","2","YA6175","G. Usha; S. Selvanayagam; M. Yogavel; D. Velmurugan; A. Amalraj; R. Raghunathan; S. Shanmuga Sundara Raj; H.-K. Fun","2-Benzoyl-3-cyclohexyl-4-(<i>p</i>-methoxyphenyl)-5-phenylpyrrolidine-3-spiro-3'-chroman-4'-one","Acta Crystallographica Section E","2003","59","10","o1572","o1574","10.1107/S1600536803020944","","","0.71073","MoKα","","0.069","0.047","","","0.117","0.137","","","","","","1.07","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203035","7.1865","0.0011","14.609","0.002","16.197","0.002","90","","90","","90","","1700.5","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dichloromethyl[1-(2-pyridyl)ethanone benzoylhydrazonato]tin(IV)","","- C15 H15 Cl2 N3 O Sn -","- C15 H15 Cl2 N3 O Sn -","- C60 H60 Cl8 N12 O4 Sn4 -","4","1","AC6075","Affan, M. A.; Shamsuddin, Mustaffa. B.; M. Sukeri M. Yusof; Yamin, Bohari. M.","Dichloromethyl[1-(2-pyridyl)ethanone benzoylhydrazonato]tin(IV)","Acta Crystallographica Section E","2004","60","1","m126","m128","10.1107/S1600536803028976","","","0.71073","MoKα","","0.021","0.02","","","0.052","0.052","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203044","10.256","0.003","15.738","0.005","20.98","0.006","90","","90","","90","","3386.4","1.8","145","2","145","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Pt(ttp)Cl]ClO4","[Bis(3-diphenylphosphinopropyl)phenylphosphine-κ^3^P,P',P'']chloroplatinum(II) perchlorate","","- C36 H37 Cl2 O4 P3 Pt -","- C36 H37 Cl2 O4 P3 Pt -","- C144 H148 Cl8 O16 P12 Pt4 -","4","1","CF6302","Klint, Søren T.; Simonsen, Ole; Andreasen, Lars V.; Bond, Andrew D.; Wernberg, Ole","[Bis(3-diphenylphosphinopropyl)phenylphosphine-κ^3^<i>P,P</i>',<i>P</i>'']chloroplatinum(II) perchlorate","Acta Crystallographica Section E","2004","60","1","m17","m19","10.1107/S160053680302720X","","","1.5418","CuKα","","0.0929","0.0921","","","0.2198","0.2212","","","","","","1.134","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203053","5.882","0.002","12.187","0.005","24.553","0.01","90","","90","","90","","1760.1","1.2","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-tert-Butyl-4-methyl-6-(1-piperidiniomethyl)phenol chloride","","- C17 H28 Cl N O -","- C17 H28 Cl N O -","- C68 H112 Cl4 N4 O4 -","4","1","CI6311","Miao Du; Xiao-Jun Zhao; Ying Wang","2-<i>tert</i>-Butyl-4-methyl-6-(1-piperidiniomethyl)phenol chloride","Acta Crystallographica Section E","2004","60","1","o37","o39","10.1107/S1600536803027314","","","0.71073","MoKα","","0.0706","0.0441","","","0.0949","0.1048","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203061","7.1736","0.0007","8.7391","0.0009","21.301","0.002","90","","90","","90","","1335.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Furodysinin lactone","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","CV6255","K. Ravikumar; S. Selvanayagam; T. Venkateshwar Goud; P. Krishnaiah; Y. Venkateswarlu","A furodysinin lactone derivative from the marine sponge <i>Dysidea fragilis</i>","Acta Crystallographica Section E","2004","60","1","o139","o141","10.1107/S1600536803029143","","","0.71073","MoKα","","0.0424","0.0397","","","0.1022","0.1041","","","","","","1.126","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203079","13.403","0.002","15.5692","0.001","17.235","0.002","90","","90","","90","","3596.5","0.7","93","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H38 O6 -","- C46 H38 O6 -","- C184 H152 O24 -","4","1","LH6152","Kawanami, Toshio; Ishizuka, Kentaro; Furuno, Hiroshi; Inanaga, Junji","Unique hydrogen bonding in the acetone-mediated helical structure of (<i>R</i>,<i>R</i>)-3,3'-bisBINOL","Acta Crystallographica Section E","2004","60","1","o97","o98","10.1107/S1600536803028538","","","0.7107","MoKα","","0.0396","0.0369","","","0.0884","0.0996","","","","","","1.087","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203107","8.3541","0.001","13.6308","0.001","15.4932","0.001","90","","90","","90","","1764.3","0.3","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C80 H108 N4 O16 -","4","1","RN6006","Abrahão-Júnior, Odonirio; Guilardi, Silvana; Maltha, Celia Regina A.; Piló-Veloso, Dorila","6α-Hydroxy-17β-azavouacapane-17,7β-carbolactone","Acta Crystallographica Section E","2004","60","1","o72","o74","10.1107/S1600536803027533","","","0.71073","MoKα","","","0.0416","","","","0.1169","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203127","7.8787","0.001","12.446","0.002","24.501","0.003","90","","90","","90","","2402.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2-Benzyloxyethyl)-4,7-dimethyl-6-(1,3-dithiolan-2-yl)-1,2,3,4,5,6- hexahydro-1,5-methano-2-azocino[4,3-b]indol-2-one","","- C27 H30 N2 O2 S2 -","- C27 H30 N2 O2 S2 -","- C108 H120 N8 O8 S8 -","4","1","WN6198","Hökelek, Tuncer; Uludağ, Nesimi; Patır, Süleyman","<i>N</i>-(2-Benzyloxyethyl)-4,7-dimethyl-6-(1,3-dithiolan-2-yl)-1,2,3,4,5,6-hexahydro-1,5-methano-2-azocino[4,3-<i>b</i>]indol-2-one","Acta Crystallographica Section E","2004","60","1","o25","o27","10.1107/S1600536803027041","","","0.71073","MoKα","","0.1603","0.0556","","","0.1236","0.1549","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203155","10.389","0.003","14.745","0.004","19.531","0.007","90","","90","","90","","2991.9","1.6","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,7,17-O-triacetyl-5-O-butanoyl-13,15-dihydroxymyrisinol","","- C30 H42 O11 -","- C30 H42 O11 -","- C120 H168 O44 -","4","1","CF6314","Parvez, Masood; Ahmad, Viqar Uddin; Hussain, Javid; Hussain, Hidayat; Farooq, Umar","3,7,17-Tri-<i>O</i>-acetyl-5-<i>O</i>-butanoyl-13,15-dihydroxymyrisinol","Acta Crystallographica Section E","2004","60","2","o148","o150","10.1107/S1600536803028770","","","0.71073","MoKα","","0.062","0.048","","","0.126","0.139","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203161","8.427","0.002","10.2","0.002","11.163","0.003","90","","90","","90","","959.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-[hydroxy(2-pyridyl)methyl]-2-cyclopenten-1-one","2-[hydroxy(2-pyridyl)methyl]-2-cyclopenten-1-one","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","CI6318","Huo, Fangjun; Yin, Caixia; Guo, Wei; Xia, Chizhong","2-[Hydroxy(2-pyridyl)methyl]-2-cyclopenten-1-one: the Baylis‒Hillman adduct of 2-pyridinecarboxaldehyde and 2-cyclopenten-1-one","Acta Crystallographica Section E","2004","60","2","o204","o206","10.1107/S1600536804000091","","","0.71073","MoKα","","0.0382","0.0347","","","0.0924","0.095","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203166","9.1911","0.0016","12.8581","0.0017","15.827","0.002","90","","90","","90","","1870.4","0.5","293","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 B F3 N O P -","- C17 H20 B F3 N O P -","- C68 H80 B4 F12 N4 O4 P4 -","4","1","CI6326","Johansson, Magnus J.; Kann, Nina.; Larsson, Krister","(2<i>R</i>,4<i>S</i>,5<i>R</i>)-3,4-Dimethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-oxazaphospholidine(<i>P</i>—<i>B</i>)borane","Acta Crystallographica Section E","2004","60","2","o287","o288","10.1107/S1600536804001333","","","0.71073","MoKα","","","0.0476","","","","0.1338","","","","","","1.044","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2203168","10.6293","0.0006","10.7405","0.0006","21.4937","0.0013","90","","90","","90","","2453.8","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-Hydroxymexicanolide","4-(3-Furyl)-1,4,4a,5,6,6a,7,8α,9,10,11α,12-dodecahydro-4a,7,9,9- tetramethyl-2,10,13-trioxo-7,11-methano-2H-cycloocta[f][2]benzopyran-8- hydroxyl acetic acid methyl ester","","- C27 H32 O8 -","- C27 H32 O8 -","- C108 H128 O32 -","4","1","CI6328","Kan Chantrapromma; Nisakorn Saewan; Hoong-Kun Fun; Suchada Chantrapromma; Azhar Abdul Rahman","6-Hydroxymexicanolide","Acta Crystallographica Section E","2004","60","2","o312","o314","10.1107/S1600536804001667","","","0.71073","MoKα","","0.065","0.0503","","","0.1219","0.1345","","","","","","1.113","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203186","4.1071","0.0003","12.855","0.001","15.296","0.001","90","","90","","90","","807.58","0.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","tribromoresorcinol","","","- C6 H3 Br3 O2 -","- C6 H3 Br3 O2 -","- C24 H12 Br12 O8 -","4","1","FL6075","Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.","1,3,5-Tribromo-2,6-dihydroxybenzene","Acta Crystallographica Section E","2004","60","2","o222","o224","10.1107/S1600536804000571","","","0.71073","MoKα","","0.0658","0.0375","","","0.0515","0.0564","","","","","","0.997","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203199","6.683","0.001","9.166","0.001","12.696","0.002","90","","90","","90","","777.71","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis-8-azabicyclo[5.2.0]nonan-9-one","","- C8 H13 N O -","- C8 H13 N O -","- C32 H52 N4 O4 -","4","1","LH6151","Argay, Gyula; Kálmán, Alajos; Bernáth, Gábor; Cs. Gyarmati, Zsuzsanna","<i>cis</i>-8-Azabicyclo[5.2.0]nonan-9-one","Acta Crystallographica Section E","2004","60","2","o173","o175","10.1107/S160053680302796X","","","1.5418","CUkα","","0.0714","0.066","","","0.2144","0.227","","","","","","1.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203201","6.492","0.001","9.857","0.002","28.154","0.006","90","","90","","90","","1801.6","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","catena-Poly[[trimethyltin(IV)]-μ-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)- 3-phenylpropionato-κ^2^O:O']","catena-Poly[[trimethyltin(IV)]-μ-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)- 3-phenylpropionato-κ^2^O:O']","","- C16 H19 N O4 Sn -","- C16 H19 N O4 Sn -","- C64 H76 N4 O16 Sn4 -","4","1","LH6155","Parvez, Masood; Ahmed, Sajjad; Ali, Saqib; Bhatti, Muhammad H.; Mazhar, Muhammad","<i>catena</i>-Poly[[trimethyltin(IV)]-μ-(2,5-dioxo-2,5-dihydro-1<i>H</i>-pyrrol-1-yl)-3-phenylpropionato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2004","60","2","m190","m192","10.1107/S1600536804000789","","","0.71073","MoKα","","0.025","0.023","","","0.059","0.06","","","","","","1.09","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203207","6.6521","0.0011","7.948","0.002","10.848","0.002","90","","90","","90","","573.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-Nitrosoazetidine-2-carboxylic acid","","- C4 H6 N2 O3 -","- C4 H6 N2 O3 -","- C16 H24 N8 O12 -","4","1","NA6283","Maria Gdaniec; Maria J. Milewska; Tadeusz Połoński","(<i>S</i>)-<i>N</i>-Nitrosoazetidine-2-carboxylic acid","Acta Crystallographica Section E","2004","60","2","o181","o183","10.1107/S1600536804000327","","","1.54178","CuKα","","0.0376","0.035","","","0.098","0.1002","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203235","5.569","0.003","15.062","0.007","18.245","0.009","90","","90","","90","","1530.4","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-3-(α-hydroxybenzylidene)pyrrolidine-2,4-dione","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","WK6005","You-Quan Zhu; Hai-Bin Song; Jian-Rong Li; Chang-Sheng Yao; Fang-Zhong Hu; Xiao-Mao Zou; Hua-Zheng Yang","1-Benzyl-3-(α-hydroxybenzylidene)pyrrolidine-2,4-dione","Acta Crystallographica Section E","2004","60","2","o196","o198","10.1107/S1600536804000364","","","0.71073","MoKα","","0.112","0.0593","","","0.1132","0.1307","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203250","11.3103","0.0004","13.3106","0.0003","14.928","0.0005","90","","90","","90","","2247.36","0.12","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 I2 N2 O -","- C21 H28 I2 N2 O -","- C84 H112 I8 N8 O4 -","4","1","WW6155","Yoshikawa, Naokazu; Takemoto, Keiko; Sakamoto, Jun; Kanehisa, Nobuko; Kai, Yasushi; Takashima, Hiroshi; Tsukahara, Keiichi","(11<i>R</i>)-(‒)-<i>N,N</i>'-Dimethylcinchonidinium diiodide","Acta Crystallographica Section E","2004","60","2","o281","o282","10.1107/S1600536804000583","","","0.7107","MoKα","","","0.0498","","","","0.0843","","","","","","1.095","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203261","6.2987","0.0013","10.5","0.002","39.68","0.008","90","","90","","90","","2624.3","0.9","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C120 H184 O12 -","4","1","BT6394","Alcock, Nathaniel W.; Sanders, Karen J.; Rodger, Alison","Potential injectable contraceptive steroids: testosterone buciclate","Acta Crystallographica Section E","2004","60","3","o348","o349","10.1107/S1600536804000820","","","0.71073","MoKα","","0.1263","0.0731","","","0.1421","0.1624","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203292","7.8637","0.0004","29.1592","0.0009","31.2637","0.0009","90","","90","","90","","7168.7","0.5","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-[1,1'-Bis(4-methoxyphenyl)-3,3'-(1,2-cyclohexanediyldinitrilo)diprop- 1-enethiolato-κ^4^S,N,N',S']nickel(II)","","- C26 H28 N2 Ni O2 S2 -","- C26 H28 N2 Ni O2 S2 -","- C312 H336 N24 Ni12 O24 S24 -","12","3","DN6125","Evain, Michel; Deniaud, David; Meslin, Jean Claude","(1<i>S</i>,2<i>S</i>)-[1,1'-Bis(4-methoxyphenyl)-3,3'-(1,2-cyclohexanediyldinitrilo)diprop-1-enethiolato-κ^4^<i>S,N,N</i>',<i>S</i>']nickel(II)","Acta Crystallographica Section E","2004","60","3","m325","m327","10.1107/S1600536804003551","","","0.71069","MoKα","","0.0875","0.0682","","","0.1644","0.1689","","","","","","2.24","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2203304","9.039","0.002","8.175","0.002","20.304","0.002","90","","90","","90","","1500.3","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","HG6020","Wentrup, Curt; Buchanan, Jeff; Karl A. Byriel; Colin H. L. Kennard","2-Benzyl-1-hydroxy-5,6-dihydro-3<i>H</i>-naphtho[2,1-<i>b</i>]pyran-3-one","Acta Crystallographica Section E","2004","60","3","o471","o472","10.1107/S1600536804003848","","","0.71073","Mokα","","0.0526","0.0306","","","0.0805","0.0938","","","","","","0.934","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203413","5.7601","0.0011","8.962","0.0019","22.983","0.004","90","","90","","90","","1186.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-benzyl-2-methyl-3-thiofuramide","N-benzyl-2-methyl-3-furanthiocarboxanilide","","- C13 H13 N O S -","- C13 H13 N O S -","- C52 H52 N4 O4 S4 -","4","1","CV6281","Pavlović, Gordana; Tralić-Kulenović, Vesna; Popović, Zora","<i>N</i>-Benzyl-2-methylfuran-3-thiocarboxanilide","Acta Crystallographica Section E","2004","60","4","o637","o639","10.1107/S1600536804006324","","","0.71073","MoKα","","0.0508","0.0479","","","0.1116","0.1139","","","","","","1.099","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2203416","5.0473","0.00001","25.1504","0.0005","41.4912","0.0009","90","","90","","90","","5266.96","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'S,2R,3S,4S)-Ethyl 2-hydroxy-4-methyl-3-(1'-phenylethylcarbamoyl)hexanoate","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C216 H324 N12 O48 -","12","3","CV6287","Larionov, Oleg I.; Meijere, Armin de; Yufit, Dmitry S.; Howard, Judith A. K.","(1'<i>S</i>,2<i>R</i>,3<i>S</i>,4<i>S</i>)-Ethyl 2-hydroxy-4-methyl-3-(1'-phenylethylcarbamoyl)hexanoate","Acta Crystallographica Section E","2004","60","4","o681","o683","10.1107/S1600536804006737","","","0.71073","MoKα","","0.0566","0.0499","","","0.1229","0.1261","","","","","","1.152","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203427","11.427","0.001","12.947","0.001","20.752","0.002","90","","90","","90","","3070.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[1,2-bis(diphenylphosphino)ethane](2,3-quionoxalinedithiolato)nickel","","- C34 H28 N2 Ni P2 S2 -","- C34 H28 N2 Ni P2 S2 -","- C136 H112 N8 Ni4 P8 S8 -","4","1","FL6084","Ni, Chun-Lin; Li, Yi-Zhi; Ni, Zhao-Ping; Dang, Dong-Bin; Meng, Qin-jing","[1,2-Bis(diphenylphosphino)ethane](2,3-quinoxalinedithiolato)nickel(II)","Acta Crystallographica Section E","2004","60","4","m410","m412","10.1107/S1600536804005999","","","0.71073","MoKα","","0.0615","0.0553","","","0.1526","0.1564","","","","","","1.071","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203432","6.1389","0.0002","7.2316","0.0002","33.9218","0.0014","90","","90","","90","","1505.93","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5-methoxycarbonyl)pentyl α-D-mannopyranoside","","- C13 H24 O8 -","- C13 H24 O8 -","- C52 H96 O32 -","4","1","FL6092","Gainsford, Graeme J.; Luboradzki, Roman; Pakulski, Zbigniew","(5-Methoxycarbonyl)pentyl α-<small>D</small>-mannopyranoside","Acta Crystallographica Section E","2004","60","4","o666","o668","10.1107/S1600536804005987","","","0.71073","MoKα","","0.0577","0.0441","","","0.0803","0.0837","","","","","","1.123","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203446","8.492","0.0015","12.241","0.002","16.961","0.003","90","","90","","90","","1763.1","0.5","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cu N4 O6 -","- C15 H26 Cu N4 O6 -","- C60 H104 Cu4 N16 O24 -","4","1","HG6025","Choi, Sung-Nak; Park, Shin-Ae; Kim, Wan Cheol; Kang, Sung Kwon","[(‒)-α-Isosparteine]dinitratocopper(II)","Acta Crystallographica Section E","2004","60","4","m416","m418","10.1107/S160053680400618X","","","0.71073","MoKα","","","0.0548","","","","0.1288","","","","","","0.967","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203462","12.03","0.003","18.01","0.005","7.29","0.002","90","","90","","90","","1579.5","0.7","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","guanidinium 5-sulfosalicylate monohydrate","","","- C9 H18 N6 O7 S -","- C9 H18 N6 O7 S -","- C36 H72 N24 O28 S4 -","4","1","LH6188","Graham Smith; Urs D. Wermuth; Peter C. Healy","Bis(guanidinium) 5-sulfosalicylate monohydrate","Acta Crystallographica Section E","2004","60","4","o687","o689","10.1107/S1600536804007081","","","0.71069","MoKα","","0.0683","0.0461","","","0.1176","0.1395","","","","","","0.895","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203476","7.301","0.0004","11.0134","0.0007","29.823","0.002","90","","90","","90","","2398","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 Cl N O2 -","- C11 H18 Cl N O2 -","- C88 H144 Cl8 N8 O16 -","8","2","NA6307","Ton, Cuong; Bolte, Michael","Phase transition of 3-dimethylammonio-1-phenylpropan-1-one chloride monohydrate","Acta Crystallographica Section E","2004","60","4","o616","o617","10.1107/S1600536804006208","","","0.71073","MoKα","","0.0303","0.0261","","","0.065","0.0657","","","","","","0.905","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203514","6.981","0.002","13.72","0.004","14.863","0.005","90","","90","","90","","1423.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(α-Hydroxy-2-methoxylbenzylidene)-1-isopropylpyrrolidine-2,4-dione","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","WN6222","You-Quan Zhu; Hai-Bin Song; Chang-Sheng Yao; Ying Gao; Fang-Zhong Hu; Xiao-Mao Zou; Hua-Zheng Yang","3-(α-Hydroxy-2-methoxylbenzylidene)-1-isopropylpyrrolidine-2,4-dione","Acta Crystallographica Section E","2004","60","4","o599","o601","10.1107/S1600536804005951","","","0.71073","MoKα","","0.0575","0.0379","","","0.0829","0.0908","","","","","","1.072","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203520","7.804","0.001","12.078","0.002","19.007","0.003","90","","90","","90","","1791.5","0.5","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Kamebacetal A","(1S,2S,8S,9R,11R,15S,16S,18R)-15,18-dihydroxy-16-methoxy-12,12-dimethyl- 6-methylene-17-oxapentacyclo[7.6.2.1^5,8^.0^1,11^.0^2,8^]octadecan-7-one","","- C21 H30 O5 -","- C21 H30 O5 -","- C84 H120 O20 -","4","1","WW6140","Shi, Hao; Sun, Cui Rong; Pan, Yuan Jiang","The natural diterpenoid kamebacetal A","Acta Crystallographica Section E","2004","60","4","o500","o502","10.1107/S1600536804004416","","","0.71073","MoKα","","0.085","0.0426","","","0.0783","0.0893","","","","","","0.883","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203529","13.8789","0.0015","15.41","0.002","22.705","0.002","90","","90","","90","","4856","0.9","93","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H47 Cl3 O6 S2 -","- C57 H47 Cl3 O6 S2 -","- C228 H188 Cl12 O24 S8 -","4","1","YA6197","Ishizuka, Kentaro; Kawanami, Toshio; Furuno, Hiroshi; Inanaga, Junji","Conspicuous hydrogen bonds linking (<i>R</i>,<i>R</i>)-3',3''-bisBINOL, methyl 2-methylphenyl (<i>R</i>)-sulfoxide and chloroform in the 1:2:1 complex","Acta Crystallographica Section E","2004","60","4","o607","o609","10.1107/S1600536804005768","","","0.71075","MoKα","","","0.033","","","","0.088","","","","","","1.05","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203567","8.364","0.004","9.463","0.005","22.411","0.012","90","","90","","90","","1773.8","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[[2-(2-pyridinyl)-4,4,5,5-tetramethylimidazoline-1- oxyl]thiocyanatonickel(II)]-μ-thiocyanato]","","- C14 H16 N5 Ni O S2 -","- C14 H16 N5 Ni O S2 -","- C56 H64 N20 Ni4 O4 S8 -","4","1","CI6363","Wang, Shu-Ping; Gao, Dong-Zhao; Liao, Dai-Zheng; Jiang, Zong-Hui","A one-dimensional polymeric nickel(II) complex of an imino nitroxide radical with thiocyanate bridges","Acta Crystallographica Section E","2004","60","5","m682","m684","10.1107/S1600536804009717","","","0.71073","MoKα","","0.0789","0.0511","","","0.102","0.1115","","","","","","1.082","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203575","6.999","0.005","11.569","0.005","29.441","0.01","90","","90","","90","","2384","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17a-Allyl-3β-pyrrolidino-17a-aza-D-homoandrost-5-ene monohydrate","","- C26 H44 N2 O -","- C26 H44 N2 O -","- C104 H176 N8 O4 -","4","1","CV6293","Vasuki, G.; Parthasarathi, V.; Thamotharan, S.; Ramamurthi, K.; Piplani, P.; Jindal, D.P.","17<i>a</i>-Allyl-3β-pyrrolidino-17<i>a</i>-aza-<small>D</small>-homoandrost-5-ene monohydrate","Acta Crystallographica Section E","2004","60","5","o745","o746","10.1107/S160053680400786X","","","0.71073","MoKα","","0.0985","0.0503","","","0.142","0.1689","","","","","","0.955","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203581","5.5079","0.0001","13.1233","0.0006","14.3414","0.0007","90","","90","","90","","1036.62","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(1H-1,2,4-Triazole-3-ylsulfanylmethyl)benzoic acid","","- C10 H9 N3 O2 S -","- C10 H9 N3 O2 S -","- C40 H36 N12 O8 S4 -","4","1","CV6299","Han, Lei; Zhou, You-Fu; Wang, Rui-Hu; Hong, Mao-Chun","3-(1<i>H</i>-1,2,4-Triazol-3-ylsulfanylmethyl)benzoic acid","Acta Crystallographica Section E","2004","60","5","o813","o814","10.1107/S1600536804008785","","","0.71073","MoKα","","0.0852","0.0578","","","0.1152","0.1328","","","","","","1.261","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2203623","7.7262","0.0004","19.8316","0.001","23.6182","0.0013","90","","90","","90","","3618.8","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 Cl N O3 -","- C21 H24 Cl N O3 -","- C168 H192 Cl8 N8 O24 -","8","2","LH6200","Parrish, Damon; Chen, Weibin; Coop, Andrew; Deschamps, Jeffrey R.","7β-Chloro-6,14-<i>endo</i>-etheno-6,7,8,14-tetrahydrothebaine","Acta Crystallographica Section E","2004","60","5","o793","o794","10.1107/S1600536804008670","","","0.71073","MoKα","","0.1009","0.0541","","","0.0972","0.121","","","","","","1.227","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203635","7.3137","0.0001","10.6657","0.0002","12.6476","0.0003","90","","90","","90","","986.59","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-C-Hydroxymethyl-2,3-O-isopropylidene-D-ribono-1,5-lactam","","- C9 H14 N O5 -","- C9 H14 N O5 -","- C36 H56 N4 O20 -","4","1","NA6312","Newton, Christopher R.; Iezzi, Simone Michela; Fleet, George W. J.; Blériot, Yves; Watkin, David J.","2-<i>C</i>-Hydroxymethyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-ribono-1,5-lactam","Acta Crystallographica Section E","2004","60","5","o909","o910","10.1107/S1600536804008141","","","0.71073","MoKα","","0.0401","0.0346","","0.0871","0.0848","0.0871","","","","","","0.9789","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203638","6.4818","0.0006","10.6714","0.0008","10.9799","0.0011","90","","90","","90","","759.48","0.12","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","D-Galactono-1,4-lactone","D-Galactonic 1,4-lactone","","- C6 H10 O6 -","- C6 H10 O6 -","- C24 H40 O24 -","4","1","NA6315","Amador, Patricia; Flores, Henoc; Bernès, Sylvain","<small>D</small>-Galactono-1,4-lactone: a case of wrong absolute configuration surviving three decades","Acta Crystallographica Section E","2004","60","5","o904","o906","10.1107/S1600536804009882","","","0.71073","MoKα","","0.0287","0.0266","","","0.0744","0.0763","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203698","6.654","0.001","9.444","0.002","13.182","0.003","90","","90","","90","","828.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O3 -","- C7 H13 N O3 -","- C28 H52 N4 O12 -","4","1","AC6099","Qing-An Wu; Zhen-Yuan Xu","<i>N</i>-Acetyl-<small>L</small>-valine","Acta Crystallographica Section E","2004","60","6","o949","o950","10.1107/S1600536804010505","","","0.71073","MoKα","","0.0458","0.0337","","","0.0693","0.0716","","","","","","0.911","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203706","7.531","0.003","11.787","0.004","19.786","0.006","90","","90","","90","","1756.4","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methoxy[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato(2-)-κ^3^O,O',N]oxovanadium(V)","","- C17 H17 N2 O6 V -","- C17 H17 N2 O6 V -","- C68 H68 N8 O24 V4 -","4","1","BT6444","Huo, Li-Hua; Gao, Shan; Liu, Ji-Wei; Li, Jing; Ng, Seik Weng","Methoxy[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato(2‒)-κ^3^<i>O</i>,<i>O</i>',<i>N</i>]oxovanadium(V)","Acta Crystallographica Section E","2004","60","6","m758","m760","10.1107/S1600536804010323","","","0.71073","MoKα","","0.04","0.036","","","0.09","0.093","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203711","6.0399","0.0001","9.7642","0.0002","14.682","0.0004","90","","90","","90","","865.87","0.03","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Alanyl-L-threonine","","- C7 H14 N2 O4 -","- C7 H14 N2 O4 -","- C28 H56 N8 O16 -","4","1","BT6458","Netland, Kjetil Andreas; Andresen, Kim; Görbitz, Carl Henrik; Dalhus, Bjørn","<small>L</small>-Alanyl-<small>L</small>-threonine","Acta Crystallographica Section E","2004","60","6","o951","o953","10.1107/S1600536804010578","","","0.71073","MoKα","","0.0284","0.0272","","","0.074","0.0753","","","","","","1.142","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203713","4.7413","0.0017","9.595","0.005","15.069","0.007","90","","90","","90","","685.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4-Oxo-1,4-dihydropyridin-1-yl)acetic acid","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","BT6460","Shan Gao; Zhu-Yan Zhang; Li-Hua Huo; Jing-Gui Zhao; Zain, Sharifuddin M.; Ng, Seik Weng","(4-Oxo-1,4-dihydropyridin-1-yl)acetic acid","Acta Crystallographica Section E","2004","60","6","o1006","o1008","10.1107/S1600536804011110","","","0.71073","MoKα","","0.05","0.044","","","0.123","0.146","","","","","","1.11","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203728","10.422","0.004","13.881","0.005","17.591","0.006","90","","90","","90","","2544.9","1.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O -","- C30 H46 O -","- C120 H184 O4 -","4","1","CI6374","Shamaladevi Nagaraja Rao; Saradha Vasanth; Vasantha Pattabhi","Lup-1,20(29)-dien-3-one, a triterpenoid from <i>Agyneia bacciformis</i> A. Juss","Acta Crystallographica Section E","2004","60","6","o1092","o1093","10.1107/S160053680401236X","","","0.71073","MoKα","","0.0787","0.0606","","","0.1422","0.1523","","","","","","1.043","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2203736","9.614","0.002","15.27","0.004","22.838","0.005","90","","90","","90","","3352.8","1.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2,2'-Dimethoxy-3,3'-bis{[(1S)-1-phenylethyl]iminomethyl}-1,1'- binaphthalene","","- C40 H36 N2 O2 -","- C40 H36 N2 O2 -","- C160 H144 N8 O8 -","4","1","CV6288","Li, Xingshu; Jia, Xian; Su, Liming; Zhou, Zhongyuan","(<i>R</i>)-2,2'-Dimethoxy-3,3'-bis{[(1<i>S</i>)-1-phenylethyl]iminomethyl}-1,1'-binaphthalene, a new chiral Schiff base","Acta Crystallographica Section E","2004","60","6","o998","o999","10.1107/S1600536804010931","","","0.71073","MoKα","","0.1567","0.0492","","","0.099","0.1182","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203773","11.883","0.004","13.833","0.004","15.737","0.005","90","","90","","90","","2586.8","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-fluoro-11β,17α,21-trihydroxy-16β-methyl-3,20-dioxopregna-1,4-diene- 17,21-diyl dipropionate","","- C28 H37 F O7 -","- C28 H37 F O7 -","- C112 H148 F4 O28 -","4","1","HG6048","Shu-Li Wang; Yan Zheng; Wen-Qin Zhang","Betamethasone dipropionate","Acta Crystallographica Section E","2004","60","6","o1063","o1064","10.1107/S160053680401205X","","","0.71073","MoKα","","0.0794","0.0587","","","","0.1743","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2203774","10.419","0.006","12.996","0.002","13.841","0.002","90","","90","","90","","1874.1","1.1","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","21,24-dimethyl-3,12,21,24-tetraazahexacyclo[9.7.3.3^2,10^. O^1,10^.O^4,9^.O^13,18^]tetracosa-4,6,8,13(18),14,16-hexaene","","- C22 H28 N4 O -","- C22 H28 N4 O -","- C88 H112 N16 O4 -","4","1","HG6049","Vencato, Ivo; Lariucci, Carlito; Oliveira, Cecilia M. A. de; Kato, Lucilia; Nascimento, Claudia A. do","Calycanthine monohydrate","Acta Crystallographica Section E","2004","60","6","o1023","o1025","10.1107/S160053680401178X","","","1.5418","CuKα","","0.0657","0.0653","","","0.149","0.15","","","","","","1.16","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203787","11.6567","0.0001","13.6627","0.0001","24.1997","0.0002","90","","90","","90","","3854.09","0.05","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H42 Cl4 N4 Pd -","- C39 H42 Cl4 N4 Pd -","- C156 H168 Cl16 N16 Pd4 -","4","1","NA6322","Lebel, Hélène; Sanchez Salvatori, Maria del Rayo; Bélanger-Gariépy, Francine","(<i>R</i>)-Bis[1,3-bis(1-phenylethyl)imidazolin-2-ylidene]dichloropalladium(II) dichloromethane solvate","Acta Crystallographica Section E","2004","60","6","m755","m757","10.1107/S1600536804010451","","","1.54178","CuKα","","0.0374","0.0338","","0.0844","","0.0829","","","1.013","","","1.042","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203805","4.8528","0.0004","7.0073","0.0006","23.256","0.003","90","","90","","90","","790.82","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3,5-Dimethyl-pyrazol-1-yl)acetic acid","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","SU6099","Andrew N Boa; Jonathan D Crane","(3,5-Dimethylpyrazol-1-yl)acetic acid","Acta Crystallographica Section E","2004","60","6","o966","o967","10.1107/S1600536804010761","","","0.71073","MoKα","","0.0759","0.0487","","","0.13","0.1472","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203810","11.05","0.003","11.2116","0.0004","16.3949","0.0006","90","","90","","90","","2031.1","0.6","291","1","291","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 N -","- C21 H39 N -","- C84 H156 N4 -","4","1","SU6104","Müller, Kai-Sven; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","Tris(cyclohexylmethyl)amine","Acta Crystallographica Section E","2004","60","6","o1100","o1101","10.1107/S1600536804011535","","","0.71073","MoKα","","0.1229","0.0342","","","0.0575","0.0653","","","","","","0.881","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203820","6.6561","0.0002","11.1986","0.0003","11.8739","0.0003","90","","90","","90","","885.07","0.04","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4,4a,5,6,7,9,9a-Octahydrofuro[2,3-f]indolizin-7-one","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","1","WK6013","Vrábel, Viktor; Kožíšek, Jozef; Langer, Vratislav; Marchalín, Štefan","2,4,4a,5,6,7,9,9a-Octahydrofuro[2,3-<i>f</i>]indolizin-7-one","Acta Crystallographica Section E","2004","60","6","o932","o933","10.1107/S1600536804005483","","","0.71073","MoKα","","0.051","0.041","","","0.107","0.115","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203872","7.6427","0.0005","12.738","0.0012","15.5045","0.0009","90","","90","","90","","1509.41","0.19","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-3-(2-phenylethyl)benzimidazole-2-selone","","- C17 H18 N2 Se -","- C17 H18 N2 Se -","- C68 H72 N8 Se4 -","4","1","CI6391","Mehmet Akkurt; Sema Öztürk; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör","1-Ethyl-3-(2-phenylethyl)benzimidazole-2-selone","Acta Crystallographica Section E","2004","60","7","o1263","o1265","10.1107/S1600536804014977","","","0.71073","MoKα","","0.0672","0.0423","","","0.086","0.097","","","","","","1.027","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2203889","6.6778","0.0013","8.904","0.0017","11.876","0.002","90","","90","","90","","706.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ethylenediammonium chromate","","- C2 H10 Cr N2 O4 -","- C2 H10 Cr N2 O4 -","- C8 H40 Cr4 N8 O16 -","4","1","DN6139","Chebbi, Hammouda; Driss, Ahmed","Chromate d'éthylènediammonium","Acta Crystallographica Section E","2004","60","7","m904","m906","10.1107/S1600536804012747","","","0.71073","MoKα","","0.0257","0.0225","","","0.0656","0.0673","","","","","","1.132","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203893","5.8501","0.0004","14.721","0.0009","15.2578","0.001","90","","90","","90","","1313.99","0.15","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","bis(2-{pyridyl-2-yl}ethyl)hydroxylamine","","- C14 H17 N3 O -","- C14 H17 N3 O -","- C56 H68 N12 O4 -","4","1","DN6145","Bjernemose, Jens K.; Bond, Andrew D.","<i>N</i>,<i>N</i>-Bis[2-(2-pyridyl)ethyl]hydroxylamine","Acta Crystallographica Section E","2004","60","7","o1143","o1144","10.1107/S1600536804013534","","","0.7107","MoKα","","0.0423","0.034","","","0.0853","0.0893","","","","","","1.064","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203904","6.8847","0.0012","9.4841","0.0017","26.48","0.005","90","","90","","90","","1729","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aS,4S,5R,7aS,1'R,2a'S,6'S,6a'S)-5-(2',5'-dioxo-2a'-methyl-6', 6a'-epoxylperhydroinden-1'-yl)-3a,4-epoxy-5-hydroxy-7a-methyl- perhydro-1H-inden-1-one","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","HG6055","Shi, Hai-Jian; Li, Yi-Zhi; Hu, Yue-Fei; Hu, Hong-Wen","(3a<i>S</i>,4<i>S</i>,5<i>R</i>,7a<i>S</i>,1'<i>R</i>,2a'<i>S</i>,6'<i>S</i>,6a'<i>S</i>)-5-(2',5'-Dioxo-2a'-methyl-6',6a'-epoxyperhydroinden-1'-yl)-3a,4-epoxy-5-hydroxy-7a-methylperhydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2004","60","7","o1275","o1276","10.1107/S1600536804014849","","","0.71073","MoKα","","0.0828","0.0596","","","0.1321","0.1411","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203906","9.6398","0.0003","11.5164","0.0004","17.1539","0.0005","90","","90","","90","","1904.35","0.1","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C88 H112 O20 -","4","1","HG6058","Rodrigues, Luciano Pereira; Rubinger, Mayura M. M.; Piló-Veloso, Dorila; Malta, Valéria Rodrigues dos Santos; Guilardi, Silvana","6α-Acetoxyvouacapan-7β,17β-lactone","Acta Crystallographica Section E","2004","60","7","o1208","o1210","10.1107/S1600536804014394","","","0.71073","MoKα","","","0.0466","","","","0.1167","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2203913","5.2765","0.0006","6.2163","0.0008","38.109","0.004","90","","90","","90","","1250","0.3","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-butyl N-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamate","","- C11 H21 N O4 -","- C11 H21 N O4 -","- C44 H84 N4 O16 -","4","1","LH6229","Ober, Matthias; Marsch, Michael; Harms, Klaus; Carell, Thomas","A carbocyclic analogue of a protected β-<small>D</small>-2-deoxyribosylamine","Acta Crystallographica Section E","2004","60","7","o1191","o1192","10.1107/S1600536804013959","","","0.71073","MoKα","","0.0345","0.0308","","","0.0814","0.0826","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204020","5.0207","0.0009","12.109","0.002","20.797","0.004","90","","90","","90","","1264.4","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-histidine (2R,3R)-tartrate","","","- C10 H15 N3 O8 -","- C10 H15 N3 O8 -","- C40 H60 N12 O32 -","4","1","DN6153","Johnson, M. N.; Feeder, N.","D-Histidinium (2R,3R)-tartrate","Acta Crystallographica, Section E","2004","60","8","o1373","o1374","10.1107/S1600536804017088","","","0.71073","MoKα","","0.0364","0.0291","","","0.0554","0.0567","","","","","","0.912","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2204025","10.7882","0.0005","15.3791","0.0009","25.4634","0.0013","90","","90","","90","","4224.7","0.4","293","2","110","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","tris(pyrazolyl)methane","tris(pyrazol-1-yl)methane","","- C10 H10 N6 -","- C10 H10 N6 -","- C160 H160 N96 -","16","4","FL6109","McLauchlan, Craig C.; Varda, Amy N.; Giles, Julian R.","Tris(pyrazol-1-yl)methane (Tpm)","Acta Crystallographica Section E","2004","60","8","o1419","o1420","10.1107/S1600536804017490","","","0.71073","MoKα","","0.082","0.0609","","","0.1178","0.1255","","","","","","1.126","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204030","7.2693","0.0003","9.5506","0.0003","16.6714","0.0004","90","","90","","90","","1157.43","0.07","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Cu N2 O5 -","- C11 H10 Cu N2 O5 -","- C44 H40 Cu4 N8 O20 -","4","1","HB6062","Lei Cao; Ning Li; Duan-Jun Xu","Poly[[(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)copper(II)]-μ~3~-oxydiacetato]","Acta Crystallographica Section E","2004","60","8","m1066","m1067","10.1107/S1600536804016009","","","0.71073","MoKα","","0.022","0.021","","","0.052","0.052","","","","","","1.065","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204035","8.866","0.003","9.2962","0.0016","19.361","0.003","90","","90","","90","","1595.8","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1.2.5.6-Di-O-isopropylidene-3-O-methylsulfonyl-α-D-glucofuranose","","- C13 H22 O8 S -","- C13 H22 O8 S -","- C52 H88 O32 S4 -","4","1","HG6051","Ziemer, Burkhard; Mahrwald, Rainer","1.2.5.6-Di-O-isopropylidene-3-O-methylsulfonyl- α-D-glucofuranose","Acta Crystallographica, Section E","2004","60","8","o1342","o1343","10.1107/S1600536804013455","","","0.71073","MoKα","","0.0491","0.039","","","0.0876","0.0901","","","","","","0.933","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204081","7.229","0.003","13.112","0.005","19.334","0.007","90","","90","","90","","1832.6","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","11-Hydroxy-16,17-epoxypregn-4-ene-3,20-dione","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","SU6093","Yongli Wang; Shi Wang; Hongxun Hao; Wei Chen; Qiang Nie","11-Hydroxy-16,17-epoxypregn-4-ene-3,20-dione","Acta Crystallographica, Section E","2004","60","8","o1337","o1338","10.1107/S1600536804012115","","","0.71073","MoKα","","0.0788","0.0467","","","0.0906","0.1015","","","","","","1.045","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204092","6.4237","0.0018","13.445","0.004","14.054","0.004","90","","90","","90","","1213.8","0.6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 Br2 N2 O3 -","- C9 H10 Br2 N2 O3 -","- C36 H40 Br8 N8 O12 -","4","1","WK6020","Xiang Chao Zeng; Shi Hai Xu; Qin Ying Deng; Ji Wen Cai; Shu Hao Guo; Jian Gu; Dong Hong He","Methyl (4,5-dibromo-1-methyl-1<i>H</i>-pyrrole-2-carbonylamino)acetate","Acta Crystallographica Section E","2004","60","8","o1283","o1284","10.1107/S1600536804015491","","","0.71073","MoKα","","0.0363","0.0275","","","0.0649","0.0682","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204099","7.404","0.003","10.276","0.004","14.963","0.005","90","","90","","90","","1138.4","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7-(4-Methylphenyl)pyrazolo[2,3-a]pyrimidine-3-carbonitrile","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","1","WN6260","Li-Rong Wen; Shu-Wen Wang; Hai-Zhen Xu; Xiu-Li Zhang; Ming Li; Jin-Hong Liu","7-(4-Methylphenyl)pyrazolo[1,5-<i>a</i>]pyrimidine-3-carbonitrile","Acta Crystallographica Section E","2004","60","8","o1294","o1295","10.1107/S1600536804015673","","","0.71073","MoKα","","0.0514","0.0361","","","0.0807","0.0873","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204114","7.2089","0.0001","11.6317","0.0002","26.3219","0.0005","90","","90","","90","","2207.14","0.06","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7S)-N-(4-Phenyltricyclo[4.2.1.0^2,5^]non-3-ene-3-carbonyl)-2,10-camphorsultam","","- C26 H31 N O3 S -","- C26 H31 N O3 S -","- C104 H124 N4 O12 S4 -","4","1","AC6109","Lough, Alan J.; Villeneuve, Karine; Tam, William","(7<i>S</i>)-<i>N</i>-(4-Phenyltricyclo[4.2.1.0^2,5^]non-3-ene-3-carbonyl)-2,10-camphorsultam","Acta Crystallographica Section E","2004","60","9","o1566","o1567","10.1107/S1600536804019804","","","0.71073","MoKα","","0.0584","0.0415","","","0.0957","0.1035","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204120","7.9192","0.0002","11.1648","0.0003","12.4204","0.0004","90","","90","","90","","1098.17","0.05","183","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-ferrocenylprop-2-enal","","- C13 H12 Fe O -","- C13 H12 Fe O -","- C52 H48 Fe4 O4 -","4","1","BR6159","Imhof, Wolfgang","3-Ferrocenylprop-2-enal","Acta Crystallographica Section E","2004","60","9","m1234","m1236","10.1107/S1600536804019129","","","0.71073","MoKα","","0.0179","0.0174","","","0.0506","0.0512","","","","","","1.11","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204126","7.8525","0.0007","7.8036","0.0005","20.4482","0.0012","90","","90","","90","","1253.02","0.16","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1α,2β,3α,6β)-3,6-Dichlorocyclohex-4-ene-1,2-diyl diacetate","","- C10 H12 Cl2 O4 -","- C10 H12 Cl2 O4 -","- C40 H48 Cl8 O16 -","4","1","BT6494","Mehmet Akkurt; Sema Öztürk; Arif Baran; Hasan Seçen; Orhan Büyükgüngör","(1α,2β,3α,6β)-3,6-Dichlorocyclohex-4-ene-1,2-diyl diacetate","Acta Crystallographica Section E","2004","60","9","o1453","o1455","10.1107/S1600536804018525","","","0.71073","MoKα","","0.0551","0.0486","","","0.1385","0.1447","","","","","","1.046","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204133","13.756","0.004","15.667","0.004","17.934","0.004","90","","90","","90","","3865.1","1.7","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","octa-O-acetyl-α,α-trehalose","octa O-acetyl α-D-glucopyranosyl α-D-glycopyranoside","","- C32 H50 O21 -","- C32 H50 O21 -","- C128 H200 O84 -","4","1","CF6368","Färnbäck, Magnus; Eriksson, Lars; Widmalm, Göran","Octa-<i>O</i>-acetyl-α,α-trehalose ethanol disolvate","Acta Crystallographica Section E","2004","60","9","o1483","o1485","10.1107/S1600536804018707","","","0.891","synchrotron","","0.0624","0.0435","","","0.1104","0.1123","","","","","","0.946","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204135","9.935","0.001","10.072","0.001","34.987","0.007","90","","90","","90","","3501","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo- 3a,9-propano-3aH-cyclopentacycloocten-8-yl [2-(diethylammonio)ethylsulfanyl]acetate (E)-3-carboxyprop-2-enoate methanol solvate","","- C33 H55 N O9 S -","- C33 H55 N O9 S -","- C132 H220 N4 O36 S4 -","4","1","CI6411","Xiao-Ji Cao; Cui-Rong Sun; Yuan-Jiang Pan","Tiamulin‒hydrogen fumarate‒methanol (1/1/1)","Acta Crystallographica Section E","2004","60","9","o1546","o1548","10.1107/S1600536804019713","","","0.71073","MoKα","","0.0672","0.0381","","","0.0792","0.0849","","","","","","0.837","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204157","6.0473","0.0006","7.4417","0.0007","22.376","0.003","90","","90","","90","","1006.97","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Phenyl-N'-(thiophen-2-ylmethylene)hydrazine","","- C11 H10 N2 S -","- C11 H10 N2 S -","- C44 H40 N8 S4 -","4","1","CV6354","Özçelik, Suzan; Dinçer, Muharrem; Şekerci, Memet; Balaban Ayla; Özdemir Ümmühan","<i>N</i>-Phenyl-<i>N</i>'-(2-thienylmethylene)hydrazine","Acta Crystallographica Section E","2004","60","9","o1552","o1553","10.1107/S1600536804019932","","","0.71073","MoKα","","0.0517","0.0383","","","0.0835","0.0877","","","","","","0.934","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204184","9.3305","0.0008","12.407","0.001","12.7422","0.001","90","","90","","90","","1475.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2-Ethoxyphenyl)-1-ethyl-1H-benzimidazole","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","HG6076","Tong, Yi-Ping; Li, Wei","2-(2-Ethoxyphenyl)-1-ethyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2004","60","9","o1563","o1565","10.1107/S1600536804019622","","","0.71073","MoKα","","0.0653","0.0499","","","0.1031","0.1097","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204189","5.013","0.001","12.733","0.003","24.096","0.005","90","","90","","90","","1538.1","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Methoxysalicylaldehyde 4-methoxybenzoylhydrazone monohydrate","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C64 H72 N8 O20 -","4","1","HG6085","Huo, Li-Hua; Gao, Shan; Zhao, Hui; Zhao, Jing-Gui; Zain, Sharifuddin M.; Ng, Seik Weng","3-Methoxysalicylaldehyde 4-methoxybenzoylhydrazone monohydrate","Acta Crystallographica Section E","2004","60","9","o1538","o1540","10.1107/S1600536804019658","","","0.71073","MoKα","","0.051","0.041","","","0.098","0.102","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204202","10.2945","0.0005","12.5071","0.0006","15.911","0.0008","90","","90","","90","","2048.61","0.17","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","μ-Diphenylphosphido-μ-hydrido-bis[carbonyl(η^5^- cyclopentadienyl)iron(II)]","μ-Diphenylphosphido-μ-hydrido-bis[carbonyl(η^5^- cyclopentadienyl)iron(II)]","","- C24 H21 Fe2 O2 P -","- C24 H21 Fe2 O2 P -","- C96 H84 Fe8 O8 P4 -","4","1","LH6260","Andreas Decken; Crystal D. Craig; Frank Bottomley","μ-Diphenylphosphido-μ-hydrido-bis[carbonyl(η^5^-cyclopentadienyl)iron(II)]","Acta Crystallographica Section E","2004","60","9","m1284","m1285","10.1107/S1600536804019919","","","0.71073","MoKα","","0.0179","0.0173","","","0.0448","0.0451","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204214","8.8184","0.0004","12.5785","0.0005","18.6036","0.0002","90","","90","","90","","2063.55","0.13","296","1","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","1","OB6406","Gu-Ping Tang; Xiu-Rong Hu; Jian-Ming Gu","20-Oxopregna-5,16-dien-3β-yl acetate","Acta Crystallographica Section E","2004","60","9","o1622","o1623","10.1107/S1600536804020240","","","0.7107","MoKα","","","0.054","","","","0.143","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204219","12.1542","0.001","13.8359","0.001","15.3928","0.0012","90","","90","","90","","2588.5","0.3","218","2","218","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,4a-dichloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethyl-cyclohexylmethyl)-6,8- dihydroxy-2,2,7-trimethyl-3,4,4a,10a-tetrahydro-2H-benzo[g]chromene-5,10-dione","","- C26 H33 Cl3 O6 -","- C26 H33 Cl3 O6 -","- C104 H132 Cl12 O24 -","4","1","RN6020","Soria-Mercado, Irma E.; Jensen, Paul R.; Fenical, William.; Kassel, Scott; Golen, James","3,4a-Dichloro-10a-(3-chloro-6-hydroxy-2,2,6-trimethylcyclohexylmethyl)-6,8-dihydroxy-2,2,7-trimethyl-3,4,4a,10a-tetrahydro-2<i>H</i>-benzo[<i>g</i>]chromene-5,10-dione","Acta Crystallographica Section E","2004","60","9","o1627","o1629","10.1107/S1600536804020094","","","0.71073","MoKα","","0.0414","0.0376","","","0.0923","0.0948","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204233","7.884","0.0001","10.5648","0.0001","24.6438","0.0004","90","","90","","90","","2052.65","0.05","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","O^2^,O^3^:O^4^,O^5^-Bis(phenylboranediyl)-β-D-fructopyranose acetone solvate","","- C21 H24 B2 O7 -","- C21 H24 B2 O7 -","- C84 H96 B8 O28 -","4","1","TK6180","Draffin, Scott P.; Duggan, Peter J.; Fallon, Gary D.","<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^4^,<i>O</i>^5^-Bis(phenylboranediyl)-β-<small>D</small>-fructopyranose acetone solvate","Acta Crystallographica Section E","2004","60","9","o1520","o1522","10.1107/S1600536804019245","","","0.71073","MoKα","","0.06","0.037","","","0.078","0.084","","","","","","1.04","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204242","6.3987","0.0007","6.6899","0.0007","17.2975","0.0019","90","","90","","90","","740.45","0.14","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Rubidium lead phosphorus tetrasulfide","","- P Pb Rb S4 -","- P Pb Rb S4 -","- P4 Pb4 Rb4 S16 -","4","1","WM6026","Yao, Jiyong; Ibers, James A.","RbPbPS~4~","Acta Crystallographica Section E","2004","60","9","i108","i110","10.1107/S1600536804018513","","","0.71073","MoKα","","0.0215","0.02","","","0.0486","0.0491","","","","","","1.388","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204316","8.8789","0.0009","12.689","0.0013","19.506","0.002","90","","90","","90","","2197.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Benzaldehyde 1-(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)thiosemicarbazone","","- C19 H23 N3 O7 S -","- C19 H23 N3 O7 S -","- C76 H92 N12 O28 S4 -","4","1","CV6371","Bo Yang; Shu-Sheng Zhang; Yan-Fang Wang; Xue-Mei Li; Kui Jiao; M. Kassim; Yamin, Bohari M.","Benzaldehyde 1-(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylopyranosyl)thiosemicarbazone","Acta Crystallographica Section E","2004","60","10","o1902","o1904","10.1107/S1600536804023542","","","0.71073","MoKα","","0.057","0.0521","","","0.1125","0.1149","","","","","","1.199","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204334","6.6151","0.0008","10.3964","0.0012","13.9546","0.0017","90","","90","","90","","959.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-(1S,2S,3S,4R,5R)-1-Ammonio-5-hydroxymethylcyclohexane-2,3,4-triol chloride","","- C7 H16 Cl N O4 -","- C7 H16 Cl N O4 -","- C28 H64 Cl4 N4 O16 -","4","1","FL6115","Hongjie Chang; Jiarong Zhu; Xiaolong Feng; Huaidong Xu","(+)-(1<i>S</i>,2<i>S</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-1-Ammonio-5-hydroxymethylcyclohexane-2,3,4-triol chloride","Acta Crystallographica Section E","2004","60","10","o1712","o1714","10.1107/S1600536804020902","","","0.71073","MoKα","","0.0488","0.0471","","","0.1236","0.1242","","","","","","1.308","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204374","8.3801","0.0019","9.543","0.002","16.348","0.004","90","","90","","90","","1307.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","gem-chloronitroso-cyclododecane","1,1-chloronitroso-cyclododecane","","- C12 H22 Cl N O -","- C12 H22 Cl N O -","- C48 H88 Cl4 N4 O4 -","4","1","OB6412","C.R. Girija.; Noor Shahina Begum; Abdul Karim, H.A.M; Gopalpur Nagendrappa.","<i>gem</i>-Chloronitrosocyclododecane, (CH~2~)~<i>n~{‒</i>1}CNOCl, with <i>n</i> = 12","Acta Crystallographica Section E","2004","60","10","o1764","o1766","10.1107/S1600536804022068","","","0.71073","MoKα","","0.0776","0.0539","","","0.14","0.1548","","","","","","0.948","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2204412","10.9898","0.0004","15.7406","0.0007","20.7781","0.0006","90","","90","","90","","3594.3","0.2","295","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 Cl N O9 -","- C33 H48 Cl N O9 -","- C132 H192 Cl4 N4 O36 -","4","1","WN6281","Guo-Bin Zhou; Yong Ni; Peng-Fei Zhang; Yuan-Jiang Pan","4-Chloro-<i>N</i>-(2,3,4,6-tetra-<i>O</i>-pivaloyl-β-<small>D</small>-galactopyranosyl)benzylideneamine","Acta Crystallographica Section E","2004","60","10","o1905","o1906","10.1107/S1600536804023876","","","0.7107","MoKα","","","0.055","","","","0.134","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204474","9.088","0.0004","10.2194","0.0005","26.51","0.0013","90","","90","","90","","2462.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Deoxy-1,2:3,4-di-O-isopropylidene-α-D-galacto-heptodialdo-1,5- pyranose diphenyl dithioacetal","","- C25 H30 O5 S2 -","- C25 H30 O5 S2 -","- C100 H120 O20 S8 -","4","1","CV6386","Weaver, Travis D.; Norris, Peter; Zeller, Matthias","6-Deoxy-1,2:3,4-di-<i>O</i>-isopropylidene-α-<small>D</small>-<i>galacto</i>-heptodialdo-1,5-pyranose diphenyl dithioacetal","Acta Crystallographica Section E","2004","60","11","o2113","o2114","10.1107/S1600536804025097","","","0.71073","MoKα","","0.0455","0.0452","","","0.1065","0.1066","","","","","","1.367","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204476","9.7793","0.0004","11.3997","0.0004","19.147","0.0007","90","","90","","90","","2134.53","0.14","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-butyl-16,17a-dioxo-17-aza-D-homoestra-1,3,5(10)-trien-3-yl acetate","","- C24 H31 N O4 -","- C24 H31 N O4 -","- C96 H124 N4 O16 -","4","1","CV6389","Hema, R.; Parthasarathi, V.; Ranju Gupta; Linden, Anthony","17-Butyl-16,17a-dioxo-17-aza-<small>D</small>-homoestra-1,3,5(10)-trien-3-yl acetate","Acta Crystallographica Section E","2004","60","11","o2002","o2004","10.1107/S1600536804025061","","","0.71073","MoKα","","0.0664","0.0457","","","0.11","0.1236","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204489","11.1774","0.0008","11.2461","0.0008","29.072","0.002","90","","90","","90","","3654.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 N O10 -","- C33 H49 N O10 -","- C132 H196 N4 O40 -","4","1","DN6165","Guo-Bin Zhou; Peng-Fei Zhang; Yuan-Jiang Pan","2-Hydroxy-<i>N</i>-(2,3,4,6-tetra-<i>O</i>-pivaloyl-β-<small>D</small>-glucopyranosyl)benzylideneamine","Acta Crystallographica Section E","2004","60","11","o1959","o1960","10.1107/S1600536804024602","","","0.71073","MoKα","","0.0902","0.0473","","","0.0973","0.1098","","","","","","0.871","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204495","6.1413","0.0011","10.2111","0.0012","21.174","0.003","90","","90","","90","","1327.8","0.3","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,3S)-2-Oxo-1-(1'-phenylethyl)piperidine-3-carboxylic acid","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","FL6123","Lumbreras-Garcá, Ana-María; Galindo-Guzmán, Alberto; Gnecco, Dino; Terán, Joel-Luis; Bernès, Sylvain","(1'<i>R</i>,3<i>S</i>)-2-Oxo-1-(1'-phenylethyl)piperidine-3-carboxylic acid: a case of a very strong intramolecular hydrogen bond","Acta Crystallographica Section E","2004","60","11","o2110","o2112","10.1107/S1600536804024171","","","0.71073","MoKα","","0.0864","0.0442","","","0.107","0.1316","","","","","","0.982","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204496","13.825","0.003","17.563","0.005","10.499","0.001","90","","90","","90","","2549.2","0.9","297","1","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Cl4 Cu N2 O2 -","- C22 H24 Cl4 Cu N2 O2 -","- C88 H96 Cl16 Cu4 N8 O8 -","4","1","FL6124","Akitsu, Takashiro; Einaga, Yasuaki","Bis[(<i>S</i>)-<i>N</i>-(2-butyl)-3,5-dichlorosalicylideneaminato-κ^2^<i>N</i>,<i>O</i>]copper(II)","Acta Crystallographica Section E","2004","60","11","m1605","m1607","10.1107/S1600536804024882","","","0.7107","MoKα","","","0.0474","","","","0.1074","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204515","6.1589","0.0002","9.682","0.006","18.714","0.006","90","","90","","90","","1115.9","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-ornithinium sulfate monohydrate","L-ornithinium sulfate monohydrate","","- C5 H16 N2 O7 S -","- C5 H16 N2 O7 S -","- C20 H64 N8 O28 S4 -","4","1","HG6090","Ravikumar, B.; Athimoolam, S.; Rajaram, R. K.","<small>L</small>-Ornithinium sulfate monohydrate","Acta Crystallographica Section E","2004","60","11","o2093","o2095","10.1107/S1600536804026108","","","0.71073","MoKα","","0.0665","0.0587","","","0.1628","0.1707","","","","","","1.06","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204518","7.8609","0.0003","10.747","0.0004","16.5516","0.0006","90","","90","","90","","1398.3","0.09","190","","190","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","1","HG6094","Howard A. Shallard-Brown; Christopher C. Harding; David J. Watkin; Raquel Soengas; Ulla P. Skytte; George W. J. Fleet","2,3:5,6-Di-<i>O</i>-isopropylidene-2-<i>C</i>-hydroxymethyl-<small>D</small>-talono-1,4-lactone","Acta Crystallographica Section E","2004","60","11","o2163","o2164","10.1107/S160053680402700X","","","0.71073","MoKα","","0.0419","0.0333","","0.0735","0.0698","0.0735","","","","","","0.9219","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204528","5.4608","0.0006","14.4068","0.0017","24.392","0.003","90","","90","","90","","1919","0.4","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5,6,7,9-Tetra-O-acetyl-4,8-anhydro-1,2,3-trideoxy-D-glycero-D-gulo- non-1-enitol","","- C17 H24 O9 -","- C17 H24 O9 -","- C68 H96 O36 -","4","1","LH6268","Rhoad, Jonathon S.; Lowary, Todd L.; Ferguson, Michael J.","5,6,7,9-Tetra-<i>O</i>-acetyl-4,8-anhydro-1,2,3-trideoxy-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-non-1-enitol","Acta Crystallographica Section E","2004","60","11","o1939","o1941","10.1107/S1600536804024407","","","0.71073","MoKα","","0.0921","0.0526","","","0.0892","0.1003","","","","","","1.02","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204535","7.297","0.0003","14.7022","0.0007","15.8692","0.0007","90","","90","","90","","1702.48","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl azide","","- C14 H19 N3 O9 -","- C14 H19 N3 O9 -","- C56 H76 N12 O36 -","4","1","LH6285","Temelkoff, David P.; Norris, Peter; Zeller, Matthias","2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl azide","Acta Crystallographica Section E","2004","60","11","o1975","o1976","10.1107/S1600536804024900","","","0.71073","MoKα","","0.0414","0.0411","","","0.1027","0.1029","","","","","","1.198","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204561","6.4765","0.0002","13.2189","0.0002","25.7075","0.0006","90","","90","","90","","2200.88","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2:5,6-Di-O-isopropylidene-2-C-hydroxymethyl-D-glucono-1,4-lactone","","- C19 H34 O7 Si -","- C19 H34 O7 Si -","- C76 H136 O28 Si4 -","4","1","RZ6004","Cowley, Andrew R.; Fleet, George W. J.; Iezzi Simone, Michela; Soengas, Raquel","3-<i>O</i>-<i>tert</i>-Butyldimethylsilyl-2,2':5,6-di-<i>O</i>-isopropylidene-2-<i>C</i>-hydroxymethyl-<small>D</small>-1,4-gluconolactone","Acta Crystallographica Section E","2004","60","11","o2142","o2143","10.1107/S1600536804025310","","","0.71073","MoKα","","0.048","0.0373","","0.0446","0.0396","0.0396","","","","","","1.1144","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204568","8.7678","0.0005","17.6042","0.0009","17.973","0.0009","90","","90","","90","","2774.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methoxybenzaldehyde 4-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)thiosemicarbazone","","- C23 H29 N3 O10 S -","- C23 H29 N3 O10 S -","- C92 H116 N12 O40 S4 -","4","1","SJ6012","Shu-Sheng Zhang; Bo Yang; Ji-Zhi Li; Qing Liu; Xue-Mei Li; Kui Jiao; M. Kassim; Yamin, Bohari. M.","4-Methoxybenzaldehyde 4-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyl)thiosemicarbazone","Acta Crystallographica Section E","2004","60","11","o2050","o2052","10.1107/S1600536804025589","","","0.71073","MoKα","","0.1674","0.0722","","","0.1755","0.2164","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204571","7.7625","0.0014","11.2496","0.0019","17.542","0.003","90","","90","","90","","1531.9","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,1,1-Tris[(pyrrol-1-yl)methyl]ethane","","- C17 H21 N3 -","- C17 H21 N3 -","- C68 H84 N12 -","4","1","SU6135","Wei Xu; Yin-Xiang Lu; Zhen-Guang Zou; Chun-Ming Liu; Bi-Jian Lan; Hui Zhou","1,1,1-Tris[(pyrrol-1-yl)methyl]ethane: herring-bone packing of supramolecular assemblies in a homochiral crystal from chemically symmetric molecules","Acta Crystallographica Section E","2004","60","11","o2171","o2173","10.1107/S1600536804027011","","","0.71073","MoKα","","0.0622","0.057","","","0.1346","0.1379","","","","","","1.172","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204586","5.0299","0.0012","9.777","0.002","28.007","0.008","90","","90","","90","","1377.3","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-(3-pyridylmethyl)carbazole","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","WN6287","Duan, Xue-Min; Chen, Li-Gong; Xu, Yan-Jie; Li, Yang; Han, Juan; Li, Le-Ping","9-(3-Pyridylmethyl)carbazole","Acta Crystallographica Section E","2004","60","11","o1931","o1932","10.1107/S1600536804024444","","","0.71073","MoKα","","0.0598","0.0396","","","0.0876","0.0961","","","","","","1.068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204658","7.3357","0.0001","12.1537","0.0002","20.3204","0.0001","90","","90","","90","","1811.68","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16α,17-epoxy-4-pregnene-3,20-dione","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","CV6409","Shi Wang; Yongli Wang; Qiang Nie; Lina Zhou; Jiehua Wu","16α,17-Epoxy-4-pregnene-3,20-dione","Acta Crystallographica Section E","2004","60","12","o2337","o2338","10.1107/S1600536804029095","","","0.71073","MoKα","","0.0774","0.0381","","","0.0812","0.0924","","","","","","0.834","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204664","5.82","0.0003","8.0891","0.0005","23.3254","0.0018","90","","90","","90","","1098.13","0.12","193","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O4 -","- C11 H15 N O4 -","- C44 H60 N4 O16 -","4","1","CV6422","Meltzer, Martin von; Marsch, Michael; Carell, Thomas; Harms, Klaus","(1<i>S</i>,2<i>R</i>,4<i>S</i>,5<i>R</i>)-<i>tert</i>-Butyl 7-oxo-3-oxa-6-azatricyclo[3.2.1.0^2,4^]octane-6-carboxylate","Acta Crystallographica Section E","2004","60","12","o2515","o2516","10.1107/S1600536804030879","","","0.71073","MoKα","","","0.0307","","","","0.0738","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204670","7.036","0.002","10.336","0.003","13.814","0.003","90","","90","","90","","1004.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,9S)-4-Hydroxymethyl-3,8-dioxa-1,6-diazaspiro[4.4]nonane-2,7-dithione monohydrate","","- C6 H10 N2 O4 S2 -","- C6 H10 N2 O4 S2 -","- C24 H40 N8 O16 S8 -","4","1","DN6173","Cioci, Gianluca; Leconte, Nicolas; Tatibouët, Arnaud; Rollin, Patrick; Pérez, Serge; Imberty, Anne","(4<i>R</i>,9<i>S</i>)-4-Hydroxymethyl-3,8-dioxa-1,6-diazaspiro[4.4]nonane-2,7-dithione monohydrate","Acta Crystallographica Section E","2004","60","12","o2399","o2401","10.1107/S1600536804029885","","","1.54178","CuKα","","0.0513","0.051","","","0.1297","0.1302","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204687","7.3827","0.0009","14.1462","0.0017","18.077","0.002","90","","90","","90","","1887.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Prop-2-ynyl 1,2,3,4-tetra-O-acetyl-β-D-glucopyranuronate","","- C17 H20 O11 -","- C17 H20 O11 -","- C68 H80 O44 -","4","1","GH6005","Temelkoff, David P.; Norris, Peter; Zeller, Matthias","Prop-2-ynyl 1,2,3,4-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranuronate","Acta Crystallographica Section E","2004","60","12","o2273","o2274","10.1107/S1600536804028405","","","0.71073","MoKα","","0.0435","0.043","","","0.1053","0.1056","","","","","","1.191","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204709","7.8474","0.0012","8.466","0.0014","14.033","0.003","90","","90","","90","","932.3","0.3","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","HG6109","Baumer, Vyacheslav N.; Shishkin, Oleg V.; Ukrainets, Igor V.; Sidorenko, Lyudmila V.; Samer A. El Kayal","1-Ethyl-4-hydroxyquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2004","60","12","o2356","o2358","10.1107/S1600536804029241","","","0.71073","MoKα","","","0.036","","","","0.103","","","","","","0.97","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2204720","7.842","0.002","11.324","0.003","14.84","0.004","90","","90","","90","","1317.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Amino-4-(2,5-dichlorophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-thiazole","","- C11 H7 Cl2 N5 S -","- C11 H7 Cl2 N5 S -","- C44 H28 Cl8 N20 S4 -","4","1","IS6016","Shao, ling; Jin, Zhong; Liu, Jian-Bing; Zhou, Xin; Zhang, Qing; Hu, Yan; Fang, Jian-Xin","2-Amino-4-(2,5-dichlorophenyl)-5-(1<i>H</i>-1,2,4-triazol-1-yl)-1,3-thiazole","Acta Crystallographica Section E","2004","60","12","o2517","o2519","10.1107/S160053680403079X","","","0.71073","MoKα","","0.0335","0.0264","","","0.0587","0.0625","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204746","5.192","0.0003","10.685","0.0006","13.5535","0.0008","90","","90","","90","","751.9","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cis-bis(glycinato)copper(II)monohydrate","cis-aquabis(glycinatoκ^2^N,O)copper(II)","","- C4 H10 Cu N2 O5 -","- C4 H10 Cu N2 O5 -","- C16 H40 Cu4 N8 O20 -","4","1","LH6313","Casari, Barbara M.; Mahmoudkhani, Amir H.; Langer, Vratislav","A redetermination of <i>cis</i>-aquabis(glycinato-κ^2^<i>N,O</i>)copper(II)","Acta Crystallographica Section E","2004","60","12","m1949","m1951","10.1107/S1600536804030041","","","0.71073","MoKα","","0.077","0.046","","","0.085","0.097","","","","","","1.011","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204751","7.1985","0.0005","16.372","0.0014","17.244","0.002","90","","90","","90","","2032.3","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[1-methylimidazole-2(3H)-thione-2κS]dioxo-1κ^2^O-di-μ-sulfido-1:2κ^4^S:S- copper(I)tungstate(VI)","","- C12 H26 Cu N3 O2 S3 W -","- C12 H26 Cu N3 O2 S3 W -","- C48 H104 Cu4 N12 O8 S12 W4 -","4","1","LH6320","Beheshti, Azizolla; Brooks, Neil R.; Clegg, William; Khorrmdin, Rahman","Tetraethylammonium [1-methylimidazole-2(3<i>H</i>)-thione]copper(I)-di-μ-sulfido-dioxotungstate(VI)","Acta Crystallographica Section E","2004","60","12","m1923","m1926","10.1107/S1600536804030132","","","0.71073","MoKα","","0.0961","0.0924","","","0.2311","0.2329","","","","","","1.237","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204783","9.1248","0.0007","12.0366","0.001","14.2666","0.0011","90","","90","","90","","1566.9","0.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","p-tolyl 2,3-anhydro-5,6-O-isopropylidene-1-thio-β-D-talofuranoside","","- C16 H20 O4 S -","- C16 H20 O4 S -","- C64 H80 O16 S4 -","4","1","RZ6011","Bai, Yu; Lowary, Todd L.; Ferguson, Michael J.","<i>p</i>-Tolyl 2,3-anhydro-5,6-<i>O</i>-isopropylidene-1-thio-β-<small>D</small>-gulofuranoside","Acta Crystallographica Section E","2004","60","12","o2201","o2203","10.1107/S1600536804027266","","","0.71073","MoKα","","0.0414","0.0327","","","0.0753","0.0795","","","","","","1.033","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204805","5.9624","0.0001","10.5889","0.0002","10.7089","0.0002","90","","90","","90","","676.11","0.02","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,5S,8R)-1,8-Dihydroxy-6-oxa-3-azabicyclo[3.2.1]octan-2-one","","- C6 H9 N O4 -","- C6 H9 N O4 -","- C24 H36 N4 O16 -","4","1","TK6196","Punzo, Francesco; Watkin, David J.; Iezzi Simone, Michela; Fleet, George W. J.","(1<i>R</i>,5<i>S</i>,8<i>R</i>)-1,8-Dihydroxy-6-oxa-3-azabicyclo[3.2.1]octan-2-one","Acta Crystallographica Section E","2004","60","12","o2315","o2317","10.1107/S1600536804028983","","","0.71073","MoKα","","0.028","0.028","","0.069","0.069","0.069","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204836","7.1843","0.0009","8.7554","0.0011","21.31","0.003","90","","90","","90","","1340.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","8β-Hydroxy-2,6,6-trimethyl-5βH,10βH-eudesma-1,7(11)-dien-12,8-olide","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","AC6144","Guang-Wen Zhang; Cheng-Zhu Liao; Xiang-Quan Ma; Cui-Xian Zhang; Hiroshi Kurihara; Xin-Sheng Yao; Jing-Yu Su; Long-Mei Zeng","8β-Hydroxy-2,6,6-trimethyl-5β<i>H</i>,10β<i>H</i>-eudesma-1,7(11)-dien-12,8-olide","Acta Crystallographica Section E","2005","61","1","o172","o173","10.1107/S1600536804032465","","","0.71073","MoKα","","0.0371","0.0352","","","0.0926","0.0947","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204863","10.98","0.004","12.499","0.004","12.865","0.004","90","","90","","90","","1765.6","1","123.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","1","CI6502","Masataka Watanabe; Taisuke Matsumoto; Shuntaro Mataka; Thies Thiemann","3-Methoxy-19-norpentara-1,3,5(10),17(20)-tetraen-21-one","Acta Crystallographica Section E","2005","61","1","o169","o171","10.1107/S160053680403363X","","","0.7107","MoKα","","","0.034","","","","0.073","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204870","9.4088","0.0006","10.2617","0.0008","12.6689","0.0008","90","","90","","90","","1223.19","0.15","193","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,4R,5R)-tert-Butyl N-(4-hydroxymethyl-6-oxabicyclo[3.1.0]hex-2-yl)carbamate","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C44 H76 N4 O16 -","4","1","CV6423","von Meltzer, Martin; Marsch, Michael; Carell, Thomas; Harms, Klaus","(1<i>S</i>,2<i>R</i>,4<i>R</i>,5<i>R</i>)-<i>tert</i>-Butyl <i>N</i>-(4-hydroxymethyl-6-oxabicyclo[3.1.0]hex-2-yl)carbamate","Acta Crystallographica Section E","2005","61","1","o23","o24","10.1107/S1600536804031563","","","0.71073","MoKα","","","0.0319","","","","0.0867","","","","","","1.061","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204885","9.3546","0.0002","10.7074","0.0002","19.9204","0.0005","90","","90","","90","","1995.3","0.08","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-allyl-16,17a-dioxo-17-aza-D-homoestra-1,3,5(10)-trien-3-yl acetate","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","FL6136","Hema, R.; Parthasarathi, V.; Ranju Bansal; Linden, Anthony","17-Allyl-16,17a-dioxo-17-aza-<small>D</small>-homoestra-1,3,5(10)-trien-3-yl acetate","Acta Crystallographica Section E","2005","61","1","o160","o162","10.1107/S1600536804033173","","","0.71073","MoKα","","0.0662","0.0467","","","0.1138","0.1279","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204900","6.8297","0.0001","12.097","0.0002","27.8762","0.0004","90","","90","","90","","2303.1","0.06","83","2","83","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-1-{2-[(4-methoxybenzyl)oxy]ethyl}-2-methyl-3-butenyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate","","- C25 H34 O6 -","- C25 H34 O6 -","- C100 H136 O24 -","4","1","IS6013","Kai T. Meilert; George R. Clark; Tania Groutso; Margaret A. Brimble","(1<i>S</i>,2<i>S</i>)-1-{2-[(4-Methoxybenzyl)oxy]ethyl}-2-methyl-3-butenyl (1<i>S</i>,4<i>R</i>)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate","Acta Crystallographica Section E","2005","61","1","o6","o7","10.1107/S1600536804030946","","","0.71073","MoKα","","0.0535","0.0412","","","0.0862","0.0918","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204937","6.9025","0.0014","16.504","0.003","16.77","0.003","90","","90","","90","","1910.4","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(Benzotriazol-1-yl)-2-(α-hydroxybenzyl)-N-phenylthioacrylamide","","- C21 H16 Cd N2 O6 -","- C21 H16 Cd N2 O6 -","- C84 H64 Cd4 N8 O24 -","4","1","NG6078","Gao, Shan; Huo, Li-Hua; Gu, Chang-Sheng; Zhao, Jing-Gui","<i>catena</i>-Poly[[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-4-carboxylatophenoxyacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section E","2005","61","1","m198","m200","10.1107/S160053680403377X","","","0.71073","MoKα","","0.0577","0.0395","","","0.0586","0.0619","","","","","","1.031","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2204968","6.048","0.0001","10.1735","0.0003","15.5791","0.0004","90","","90","","90","","958.57","0.04","190","","190","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R,5S)-2-Trichloromethyl-3-oxa-1-azabicyclo[3,3,0]octane-4,8-dione","","- C7 H6 Cl3 N O3 -","- C7 H6 Cl3 N O3 -","- C28 H24 Cl12 N4 O12 -","4","1","SJ6035","Punzo, Francesco; Watkin, David J.; Pike, Richard; Moloney, Mark; Panchal, Terry","(2<i>R</i>,5<i>S</i>)-2-Trichloromethyl-3-oxa-1-azabicyclo[3.3.0]octane-4,8-dione","Acta Crystallographica Section E","2005","61","1","o42","o44","10.1107/S1600536804031605","","","0.71073","MoKα","","0.0297","0.0269","","0.0637","0.0618","0.0637","","","","","","0.9547","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204970","3.8144","0.0005","12.175","0.002","18.806","0.003","90","","90","","90","","873.4","0.2","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","naphthalene-2,3-dicarbonitrile","","- C12 H6 N2 -","- C12 H6 N2 -","- C48 H24 N8 -","4","1","SJ6037","Tamil Selvi Pitchumony; Helen Stoeckli-Evans","An orthorhombic polymorph of naphthalene-2,3-dicarbonitrile","Acta Crystallographica Section E","2005","61","1","o40","o41","10.1107/S1600536804031757","","","0.71073","MoKα","","0.0435","0.0373","","","0.0991","0.1048","","","","","","0.869","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204984","7.373","0.0002","13.529","0.0003","17.268","0.0003","90","","90","","90","","1722.47","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Acetonitrilechlorobis(η^5^-cyclopentadienyl)vanadium(IV) tetrachloroiron(III)","","- C12 H13 Cl5 Fe N V -","- C12 H13 Cl5 Fe N V -","- C48 H52 Cl20 Fe4 N4 V4 -","4","1","WW6317","Honzíček, Jan; Císařová, Ivana; Vinklárek, Jaromír","Acetonitrilechlorotris(η^5^-cyclopentadienyl)vanadium(IV) tetrachloroferrate(III)","Acta Crystallographica Section E","2005","61","1","m149","m151","10.1107/S1600536804032830","","","0.71073","MoKα","","0.024","0.0221","","","0.0524","0.0535","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2204995","10.518","0.001","20.61","0.002","7.4612","0.0008","90","","90","","90","","1617.4","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,8<i>S</i>,9<i>R</i>)-10,11-Dihydrocinchonidine","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C76 H96 N8 O4 -","4","1","BT6573","Lei, Xin-Xiang; Jing, Xiong; Zhang, An-Jiang; Ng, Seik Weng","10,11-Dihydrocinchonan-9-ol","Acta Crystallographica Section E","2005","61","2","o230","o232","10.1107/S1600536804034117","","","0.71073","MoKα","","0.079","0.072","","","0.156","0.16","","","","","","1.29","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2204998","10.4278","0.0005","13.3828","0.0006","18.0857","0.0009","90","","90","","90","","2523.9","0.2","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,10-bis(acetyloxy)-8-isopropyl-4,4,11a-trimethyl-2-oxo-2,3,4,6,11,11a- hexahydrobenzo[5,6]cyclohepta[1,2-b]pyran-9-yl acetate","","- C26 H32 O8 -","- C26 H32 O8 -","- C104 H128 O32 -","4","1","BT6576","K. Ravikumar; B. Sridhar; M. Marathanda Murthy","Bharangin triacetate","Acta Crystallographica Section E","2005","61","2","o380","o382","10.1107/S1600536805000838","","","0.71073","MoKα","","0.055","0.0526","","","0.1271","0.1285","","","","","","1.246","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205043","4.6858","0.0007","8.2573","0.0009","17.627","0.002","90","","90","","90","","682.02","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-aminophthalide","5-Amino-3H-isobenzofuran-1-one","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","CV6446","Yathirajan, Hemmige S.; Nagaraj, Basavegowda; Gaonkar, Santhosh L.; Narasegowda, Rajenahally S.; Prabhuswamy, Basappa; Bolte, Michael","5-Amino-3<i>H</i>-isobenzofuran-1-one (5-aminophthalide)","Acta Crystallographica Section E","2005","61","2","o343","o344","10.1107/S1600536805000851","","","0.71073","MoKα","","0.0317","0.0264","","","0.0652","0.0673","","","","","","1.044","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205059","7.5364","0.0012","9.9","0.0016","23.288","0.004","90","","90","","90","","1737.5","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","16α,17-Epoxypregn-4-ene-3,11,20-trione","17-acetyl-10,13-dimethyl-1,2,6,7,9,10,12,13,14,15,16, 17-dodecahydro-8H-20-oxa-cyclopropa[16,17]cyclopenta[a]phenanthrene-3,11-dione","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","FL6141","Nie, Qiang; Wang, Jingkang; Wang, Shi; Zhang, Meijing","16α,17-Epoxypregn-4-ene-3,11,20-trione","Acta Crystallographica Section E","2005","61","2","o398","o399","10.1107/S1600536805001443","","","0.71073","MoKα","","0.0524","0.0396","","","0.1023","0.1086","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205083","5.841","0.0005","13.363","0.0011","15.325","0.0017","90","","90","","90","","1196.17","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-Chlorophenyl thiobenzoate","4-Chlorophenyl thiobenzoate","","- C13 H9 Cl O S -","- C13 H9 Cl O S -","- C52 H36 Cl4 O4 S4 -","4","1","HG6128","T. Bhupathi Ganesh; A. Dhakshinamoorthy; K. Pitchumani; S. Athimoolam; B. Sridhar; R. K. Rajaram","4-Chlorophenyl thiobenzoate","Acta Crystallographica Section E","2005","61","2","o340","o342","10.1107/S1600536805000966","","","0.71073","MoKα","","0.0714","0.0371","","","0.0853","0.0964","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205115","12.0013","0.0011","11.1465","0.0011","5.2327","0.0004","90","","90","","90","","699.99","0.11","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7-Methyl-1H-indazole","","- C8 H8 N2 -","- C8 H8 N2 -","- C32 H32 N8 -","4","1","LH6347","Foces-Foces, C.","Hydrogen-bonded networks in 1<i>H</i>-indazoles: the case of 7-methyl-1<i>H</i>-indazole","Acta Crystallographica Section E","2005","61","2","o337","o339","10.1107/S160053680500070X","","","1.5418","CuKα","","0.044","0.0389","","","0.1098","0.1154","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205120","7.1227","0.0001","7.7284","0.0001","11.4138","0.0001","90","","90","","90","","628.296","0.013","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Lithium Chloride Dioxane","poly[μ~2~-chloro-μ~2~-dioxane-κ^2^O:O'-lithium(I)]","","- C4 H8 Cl Li O2 -","- C4 H8 Cl Li O2 -","- C16 H32 Cl4 Li4 O8 -","4","1","LH6353","Morris, J. Jacob; Noll, Bruce C.; Henderson, Kenneth W.","A redetermination of lithium chloride dioxane","Acta Crystallographica Section E","2005","61","2","m351","m353","10.1107/S1600536805001716","","","0.71073","MoKα","","0.0177","0.017","","","0.0452","0.0454","","","","","","1.083","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205131","15.3802","0.0006","5.4473","0.0002","18.0635","0.0008","90","","90","","90","","1513.37","0.11","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4R,5S)-5-(Acetamidomethyl)-N-benzyl-3,4-dihydroxytetrahydrofuran- 3-carboxamide","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","1","OB6459","Punzo, Francesco; Watkin, David J.; Iezzi Simone, Michela; Fleet, George W. J.","(3<i>R</i>,4<i>R</i>,5<i>S</i>)-5-(Acetamidomethyl)-<i>N</i>-benzyl-3,4-dihydroxytetrahydrofuran-3-carboxamide","Acta Crystallographica Section E","2005","61","2","o513","o515","10.1107/S1600536805001467","","","0.71073","MoKα","","0.0465","0.034","","0.0769","0.0735","0.0769","","","","","","0.9344","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205132","8.1624","0.0003","8.5569","0.0003","11.6","0.0005","90","","90","","90","","810.2","0.05","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2C-Methyl-D-arabinono-1,4-lactone","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","OB6460","Punzo, Francesco; Watkin, David J.; Jenkinson, Sarah F.; Fleet, George W. J.","2<i>C</i>-Methyl-<small>D</small>-arabinono-1,4-lactone monohydrate","Acta Crystallographica Section E","2005","61","2","o326","o327","10.1107/S1600536805000723","","","0.71073","MoKα","","0.0369","0.0306","","0.0709","0.0687","0.0709","","","","","","0.977","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205145","5.8303","0.0001","9.8983","0.0002","24.1599","0.0004","90","","90","","90","","1394.27","0.04","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,2':5,6-Di-O-isopropylidene-2-C-hydroxmethyl-D-talono-1,4-lactone","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","1","RZ6034","Christopher C. Harding; David J. Watkin; Andrew R. Cowley; Raquel Soengas; Ulla P. Skytte; George W. J. Fleet","2,2':5,6-Di-<i>O</i>-isopropylidene-2-<i>C</i>-hydroxymethyl-<small>D</small>-talono-1,4-lactone","Acta Crystallographica Section E","2005","61","2","o250","o252","10.1107/S1600536804033549","","","0.71073","MoKα","","0.0407","0.0337","","0.0781","0.0758","0.0781","","","","","","0.9556","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205148","6.2771","0.0013","9.792","0.002","19.073","0.004","90","","90","","90","","1172.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Phenylselanyl-3,5-methano-2H-cyclopenta[b]furan-2-one","2-Phenylselanyl-3,5-methano-2H-cyclopenta[b]furan-2-one","","- C14 H14 O2 Se -","- C14 H14 O2 Se -","- C56 H56 O8 Se4 -","4","1","SJ6027","Thomas Francis; D. Alan R. Happer; Ward T. Robinson","2-Phenylselanyl-3,5-methano-2<i>H</i>-cyclopenta[<i>b</i>]furan-2-one","Acta Crystallographica Section E","2005","61","2","o453","o455","10.1107/S160053680500231X","","","0.71073","MoKα","","0.027","0.0227","","","0.0525","0.0542","","","","","","1.012","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205152","5.8464","0.0009","8.8422","0.0014","26.927","0.004","90","","90","","90","","1392","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-Ethyl 1-azido-2-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-9-carboxylate","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C56 H56 N16 O12 -","4","1","SU6146","Fernandes, Manuel A.; Koning, Charles B. de; Michael, Joseph P.; Petersen, Riaan L.","(1<i>R</i>,2<i>R</i>)-Ethyl 1-azido-2-hydroxy-2,3-dihydro-1<i>H</i>-pyrrolo[1,2-<i>a</i>]indole-9-carboxylate","Acta Crystallographica Section E","2005","61","2","o269","o271","10.1107/S1600536805000231","","","0.71073","MoKα","","0.0535","0.0323","","","0.0762","0.0828","","","","","","1.086","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205177","5.127","0.002","13.75","0.006","22.503","0.009","90","","90","","90","","1586.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2Z)-2-(anthracen-9-ylmethylene)-5,6-dihydroimidazo[2,1-b]thiazol-3(2H)-one","","- C20 H14 N2 O S -","- C20 H14 N2 O S -","- C80 H56 N8 O4 S4 -","4","1","WN6312","Liang, Zu-Pei; Li, Jian","(2<i>Z</i>)-2-(Anthracen-9-ylmethylene)-5,6-dihydroimidazo[2,1-<i>b</i>]thiazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2005","61","2","o220","o221","10.1107/S1600536804033847","","","0.71073","MoKα","","0.1549","0.0743","","","","0.1981","","","","","","1.118","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205182","4.0781","0.0006","16.344","0.003","18.664","0.003","90","","90","","90","","1244","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-chlorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C60 H44 Cl4 O8 -","4","1","WN6321","T. Ravishankar; K. Chinnakali; S. Nanjundan; P. Selvam; Hoong-Kun Fun; Xiao-Lan Yu","1-(4-Chlorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2005","61","2","o405","o407","10.1107/S1600536805001686","","","0.71073","MoKα","","0.0587","0.0448","","","0.1003","0.1078","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205191","4.8223","0.0015","5.4732","0.0016","25.484","0.007","90","","90","","90","","672.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-1-phenylethanone","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","YA6231","Pengying Zhao; Qiyun Shao; Weiyi Zhou; Jie Li; Chunbao Li","2-Hydroxy-1-phenylethanone","Acta Crystallographica, Section E","2005","61","2","o328","o329","10.1107/S1600536805000760","","","0.71073","MoKα","","0.063","0.036","","","0.102","0.142","","","","","","1.23","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205216","8.1986","0.0005","14.0252","0.0009","23.482","0.001","90","","90","","90","","2700.1","0.3","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Bharangin triacetate","6,10-bis(acetyloxy)-8-isopropyl-4,4,11a-trimethyl-2-oxo-2,3,4,6,11,11a- hexahydrobenzo[5,6]cyclohepta[1,2-b]pyran-9-yl acetate","","- C26 H32 O8 -","- C26 H32 O8 -","- C104 H128 O32 -","4","1","BT6602","Ravikumar, K.; Sridhar, B.; Marthanda Murthy, M.","A stereoisomer of bharangin triacetate","Acta Crystallographica Section E","2005","61","3","o687","o689","10.1107/S1600536805004617","","","0.71073","MoKα","","0.0632","0.0596","","","0.1551","0.158","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205226","9.653","0.002","9.78","0.002","19.179","0.004","90","","90","","90","","1810.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","phenylacy (2S,4S)-N-tert-butoxycarbonyl-4-hydroxyprolinate","Phenylacyl (2S,4S)-1-tert-butoxycarbonyl-4-hydroxyprolinate","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C72 H92 N4 O24 -","4","1","CF6401","Chabaud, Pauline; Worf, Monica; Courcambeck, Jérôme; Camplo, Michel; Pèpe, Gérard","Phenacyl (2<i>S</i>,4<i>S</i>)-1-<i>tert</i>-butoxycarbonyl-4-hydroxyprolinate","Acta Crystallographica Section E","2005","61","3","o792","o794","10.1107/S1600536805005404","","","0.71073","MoKα","","0.0439","0.0418","","","0.1308","0.1388","","","","","","0.899","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205241","5.9532","0.0008","8.1287","0.0001","38.848","0.005","90","","90","","90","","1879.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Purpuriol","[6-(benzoyloxy)-1,4,5-trihydroxycyclohex-2-en-1-yl]methyl benzoate","","- C21 H20 O7 -","- C21 H20 O7 -","- C84 H80 O28 -","4","1","CI6527","Supattra Angchuan; Suchada Chantrapromma; Hoong-Kun Fun; Chatchanok Karalai","[6-(Benzoyloxy)-1,4,5-trihydroxycyclohex-2-en-1-yl]methyl benzoate","Acta Crystallographica Section E","2005","61","3","o699","o701","10.1107/S1600536805004575","","","0.71073","MoKα","","0.0627","0.0549","","","0.1176","0.1208","","","","","","1.201","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205258","9.7378","0.001","10.579","0.0009","15.2761","0.0015","90","","90","","90","","1573.7","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","mepivacaine hydrochloride","(2R)-2-(2,6-dimethylphenylaminocarbonyl)-1-methylpiperidinium chloride","","- C15 H23 Cl N2 O -","- C15 H23 Cl N2 O -","- C60 H92 Cl4 N8 O4 -","4","1","FL6144","Bambagiotti Alberti, Massimo; Bruni, Bruno; Di Vaira, Massimo; Giannellini, Valerio","(<i>R</i>)-(‒)-Mepivacaine hydrochloride enantiomer: a low-temperature study","Acta Crystallographica Section E","2005","61","3","o585","o586","10.1107/S1600536805003363","","","1.5418","CuKα","","0.0243","0.0224","","","0.0465","0.0468","","","","","","0.956","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205273","8.975","0.0001","20.4196","0.0003","21.9152","0.0004","90","","90","","90","","4016.31","0.1","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Disodium cytidine-5'-monophosphate 6.07-hydrate methanol 0.27-solvate","","- C9.25 H22 N3 Na2 O14.38 P -","- C9.273 H21.8958 N3 Na2 O14.3799 P -","- C74.184 H175.166 N24 Na16 O115.039 P8 -","8","2","HB6154","Gonzalez, Susana Villa; Larsen, Kristofer; Nelson, William H.; Sagstuen, Einar; Görbitz, Carl Henrik","Disodium cytidine-5'-monophosphate 6.07-hydrate methanol 0.27-solvate","Acta Crystallographica Section E","2005","61","3","m554","m556","10.1107/S160053680500471X","","","0.71073","MoKα","","0.0369","0.0343","","","0.091","0.0924","","","","","","1.069","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205292","9.0002","0.0005","15.0542","0.0007","27.4541","0.0014","90","","90","","90","","3719.8","0.3","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Asparaginyl-L-valine","","- C9 H19.67 N3 O5.33 -","- C9 H19.6667 N3 O5.33333 -","- C108 H236 N36 O64 -","12","3","KP6037","Hanne Therese Bonge; Marianne Lenes Rosenberg; Marit Riktor; Görbitz, Carl Henrik","<small>L</small>-Asparaginyl-<small>L</small>-valine 1.33-hydrate","Acta Crystallographica Section E","2005","61","3","o524","o527","10.1107/S1600536805001868","","","0.71073","MoKα","","0.0406","0.0317","","","0.0816","0.0862","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205294","9.2495","0.0009","10.0013","0.001","17.2359","0.0016","90","","90","","90","","1594.4","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 4-O-benzyl-6-deoxy-2,3-O-isopropylidene-α-L-talopyranoside","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","KP6039","Maust, Mathew T.; Norris, Peter; Zeller, Matthias","Methyl 4-<i>O</i>-benzyl-6-deoxy-2,3-<i>O</i>-isopropylidene-α-<small>L</small>-talopyranoside","Acta Crystallographica Section E","2005","61","3","o643","o644","10.1107/S1600536805003600","","","0.71073","MoKα","","0.0398","0.039","","","0.0979","0.0987","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205309","14.059","0.003","16.336","0.002","7.356","0.003","90","","90","","90","","1689.4","0.8","295","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl (2,3,4-tetra-O-acetyl-β-D-glucopyranosyl azide)uronate","Methyl 2,3,4-tetra-O-acetyl-1-azido-1-deoxy-β-D-glucopyranuronate","","- C13 H17 N3 O9 -","- C13 H17 N3 O9 -","- C52 H68 N12 O36 -","4","1","LH6365","Brendon L. Wilkinson; Laurent F. Bornaghi; Todd A. Houston; Sally-Ann Poulsen; Peter C. Healy","Methyl 2,3,4-tri-<i>O</i>-acetyl-1-azido-1-deoxy-β-<small>D</small>-glucopyranuronate at room temperature","Acta Crystallographica Section E","2005","61","3","o738","o740","10.1107/S1600536805004381","","","0.7107","MoKα","","0.1009","0.0405","","","0.1021","0.1239","","","","","","1.012","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205338","12.008","0.003","25.192","0.006","7.0192","0.0012","90","","90","","90","","2123.3","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","16β-Bromo-17α-hydroxypregn-4-ene-3,20-dione methanol solvate","","- C22 H33 Br O4 -","- C22 H33 Br O4 -","- C88 H132 Br4 O16 -","4","1","RN6036","Shi Wang; Yongli Wang; Qiang Nie; Aishuang Xiang; Lina Zhou","16β-Bromo-17α-hydroxypregn-4-ene-3,20-dione methanol solvate","Acta Crystallographica Section E","2005","61","3","o563","o564","10.1107/S1600536805002813","","","0.71073","MoKα","","0.0905","0.0662","","","0.1754","0.1922","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205353","6.0641","0.0005","10.6966","0.0009","11.7335","0.001","90","","90","","90","","761.1","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Iodolevoglucosan","1,6-Anhydro-2-iodo-2-deoxy-β-D-glucopyranose","","- C6 H9 I O4 -","- C6 H9 I O4 -","- C24 H36 I4 O16 -","4","1","RZ6050","Gehle, Dietmar; Flörke, Ulrich; Krohn, Karsten","1,6-Anhydro-2-iodo-2-deoxy-β-<small>D</small>-glucopyranose (Iodolevoglucosan)","Acta Crystallographica Section E","2005","61","3","o664","o666","10.1107/S1600536805004526","","","0.71073","MoKα","","0.0216","0.0201","","","0.0487","0.0495","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205356","7.1404","0.0006","11.9642","0.0011","13.6188","0.0016","90","","90","","90","","1163.4","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2-Chloropyridin-3-yl)(4-nitrobenzylidene)amine","","- C12 H8 Cl N3 O2 -","- C12 H8 Cl N3 O2 -","- C48 H32 Cl4 N12 O8 -","4","1","RZ6053","Mehmet Akkurt; Selvi Karaca; Ali Asghar Jarrahpour; Maaroof Zarei; Orhan Büyükgüngör","(2-Chloropyridin-3-yl)(4-nitrobenzylidene)amine","Acta Crystallographica Section E","2005","61","3","o776","o778","10.1107/S1600536805005611","","","0.71073","MoKα","","0.0534","0.0395","","","0.0741","0.0789","","","","","","1.06","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205363","6.746","0.001","12.605","0.004","18.32","0.003","90","","90","","90","","1557.8","0.6","296","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","SU6164","Binita Suthar; Anthony Fowler; Daniel S. Jones; Craig A. Ogle","1-(3,4,5-Trimethoxyphenyl)naphthalene","Acta Crystallographica Section E","2005","61","3","o607","o608","10.1107/S1600536805003776","","","1.54178","CuKα","","","0.0375","","","","0.0978","","","","","","1.048","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205368","5.4596","0.0001","15.9758","0.0003","17.5111","0.0003","90","","90","","90","","1527.34","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-O-Cyanomethyl-1,2:3,4-di-O-isopropylidene-α-D-galactopyranose","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C56 H84 N4 O24 -","4","1","SU6172","Vratislav Langer; Bohumil Steiner; Ju̇lia Mic̆ová; Miroslav Koós̆","6-<i>O</i>-Cyanomethyl-1,2:3,4-di-<i>O</i>-isopropylidene-α-<small>D</small>-galactopyranose","Acta Crystallographica Section E","2005","61","3","o779","o781","10.1107/S1600536805005544","","","0.71073","MoKα","","0.0566","0.0379","","","0.0833","0.0922","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205372","7.3201","0.0008","13.9189","0.0014","15.8356","0.0016","90","","90","","90","","1613.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2,3,4-tetra-O-acetyl-1-azido-1-deoxy-β-D-glucopyranuronate","","- C13 H17 N3 O9 -","- C13 H17 N3 O9 -","- C52 H68 N12 O36 -","4","1","TK6210","Smith, Craig R.; Norris, Peter; Zeller, Matthias","Methyl 2,3,4-tri-<i>O</i>-acetyl-1-azido-1-deoxy-β-<small>D</small>-glucopyranuronate at 100K","Acta Crystallographica Section E","2005","61","3","o736","o737","10.1107/S1600536805004423","","","0.71073","MoKα","","0.031","0.031","","","0.079","0.08","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205381","9.908","0.001","10.442","0.001","16.603","0.002","90","","90","","90","","1717.7","0.3","100","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N S2 -","- C18 H23 N S2 -","- C72 H92 N4 S8 -","4","1","WN6325","Kırılmış, Cumhur; Koca, Murat; Arıcı, Cengiz; W. Heinemann, Frank; Ahmedzade, Misir","3-Butyl-4-(3-methyl-3-phenylcyclobut-1-yl)-1,3-thiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","3","o555","o556","10.1107/S1600536805003168","","","0.71073","MoKα","","0.0492","0.0348","","","0.0664","0.0701","","","","","","1.023","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205383","8.589","0.003","8.686","0.003","11.375","0.004","90","","90","","90","","848.6","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Methyl-6,7-dihydropyrrolo[2,3-c]azepine-4,8(1H,5H)-dione","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","WN6329","Xiang-Chao Zeng; Shi-Hai Xu; Jian Gu; Dong-Sheng Deng","1-Methyl-6,7-dihydropyrrolo[2,3-<i>c</i>]azepine-4,8(1<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","3","o795","o796","10.1107/S1600536805005532","","","0.71073","MoKα","","0.0356","0.0316","","","0.0845","0.0883","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205387","10.184","0.002","12.182","0.002","18.987","0.003","90","","90","","90","","2355.6","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","mer-(2-Formylatocyclohexen-1-olato-κ^2^C^2^,O^1^)iodotris(trimethylphosphine- κP)cobalt(III)","","- C16 H35 Co I O2 P3 -","- C16 H35 Co I O2 P3 -","- C64 H140 Co4 I4 O8 P12 -","4","1","WW6351","Yu, Fengli; Dong, Shuli; Zhou, Jin; Wang, Aichen; Sun, Hongjian; Li, Xiaoyan","<i>mer</i>-(2-Formylatocyclohexen-1-olato-κ^2^<i>C</i>^2^,<i>O</i>^1^)iodotris(trimethylphosphine-κ<i>P</i>)cobalt(III)","Acta Crystallographica Section E","2005","61","3","m467","m468","10.1107/S1600536805003144","","","0.71073","MoKα","","0.0892","0.0526","","","0.1336","0.1517","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205399","9.4853","0.0003","10.2904","0.0002","12.2872","0.0004","90","","90","","90","","1199.32","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6,8a-Trimethyl-3a,6,7,8a-tetrahydrobenzo[b]furo[3,2-d]furan-2,4(3H,5H)-dione","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","AT6000","Basavegowda Nagaraj; Hemmige S. Yathirajan; Padmarajaiah Nagaraja; Daniel E. Lynch","6,6,8a-Trimethyl-3a,6,7,8a-tetrahydrobenzo[<i>b</i>]furo[3,2-<i>d</i>]furan-2,4(3<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","4","o1041","o1042","10.1107/S1600536805008093","","","0.71073","MoKα","","0.0288","0.0267","","","0.0659","0.0676","","","","","","1.04","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205400","9.9686","0.0008","12.2843","0.0008","14.7707","0.0003","90","","90","","90","","1808.78","0.19","100","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Cyclohexyl-4-(3-methyl-3-phenylcyclobutyl)-1,3-thiazole-2(3H)-thione","","- C20 H25 N S2 -","- C20 H25 N S2 -","- C80 H100 N4 S8 -","4","1","AT6001","Kırılmış, Cumhur; Koca, Murat; Arıcı, Cengiz; W. Heinemann, Frank","3-Cyclohexyl-4-(3-methyl-3-phenylcyclobutyl)-1,3-thiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2005","61","4","o1176","o1177","10.1107/S160053680500930X","","","0.71073","MoKα","","0.0399","0.0314","","","0.067","0.0702","","","","","","1.061","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205408","10.3572","0.0005","11.6812","0.0005","15.5784","0.0007","90","","90","","90","","1884.75","0.15","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl 6α-hydroxy-3,13-clerodadien-15,16-olid-18-oate","","- C21 H30 O5 -","- C21 H30 O5 -","- C84 H120 O20 -","4","1","BT6612","K. Ravikumar; B. Sridhar; Biswanath Das; K. Venkateswarlu","A clerodane diterpenoid from <i>Pulicaria wightiana</i>","Acta Crystallographica Section E","2005","61","4","o854","o856","10.1107/S1600536805005994","","","0.71073","MoKα","","0.0457","0.0433","","","0.1171","0.1204","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205426","7.994","0.001","11.99","0.002","24.787","0.004","90","","90","","90","","2375.8","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Hydroxysalicylaldehyde 2-thienoylhydrazone","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C96 H80 N16 O24 S8 -","8","2","BT6632","Ali, Hapipah M.; Puvaneswary, Subramaniam; Basirun, Wan Jefri; Ng, Seik Weng","3-Hydroxysalicylaldehyde 2-thienoylhydrazone","Acta Crystallographica Section E","2005","61","4","o1083","o1084","10.1107/S160053680500841X","","","0.71073","MoKα","","0.082","0.045","","","0.104","0.121","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205434","7.59","0.002","12.098","0.003","22.228","0.004","90","","90","","90","","2041.1","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","21-Acetoxy-17α-4-pregnene-3,20-dione","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","1","CF6413","Raja Dey; S. Chanda; A. Pal; S. Roychowdhury","21-Acetoxy-17α-4-pregnene-3,20-dione","Acta Crystallographica Section E","2005","61","4","o980","o982","10.1107/S1600536805007415","","","1.5418","CuKα","","0.0554","0.0541","","","0.1545","0.1549","","","","","","1.005","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205444","7.273","0.001","11.298","0.002","30.344","0.005","90","","90","","90","","2493.4","0.7","286","2","286","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17β-hydroxy-28-norolean-12-ene-3,16-dione","","- C29 H44 O3 -","- C29 H44 O3 -","- C116 H176 O12 -","4","1","CI6536","Bai, Suping; Yang, Li","17β-Hydroxy-28-norolean-12-ene-3,16-dione","Acta Crystallographica Section E","2005","61","4","o967","o968","10.1107/S1600536805007051","","","0.71073","MoKα","","0.0804","0.0419","","","0.0796","0.0889","","","","","","0.863","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205455","6.741","0.004","9.119","0.005","20.465","0.011","90","","90","","90","","1258","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Methyl-1-(β-D-erythro-pentofuranosyl)-1H-benzimidazol-2(3H)-one","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","1","CI6552","Qi, Ji; Hui, Guo; Hai-Bin, Song; Fei, Huang; Ji-Ben, Meng","7-Methyl-1-(β-<small>D</small>-<i>erythro</i>-pentofuranosyl)-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2005","61","4","o1147","o1149","10.1107/S1600536805009177","","","0.71073","MoKα","","0.0379","0.0306","","","0.0782","0.0804","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205463","6.677","0.002","10.794","0.003","22.608","0.007","90","","90","","90","","1629.4","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isocrotocaudin","ent-(8S,10R)-15,16-epoxy-19-norcleroda-4,11,13(16),14-tetraene- 18,6(R):20,12-diolactone","","- C19 H18 O5 -","- C19 H18 O5 -","- C76 H72 O20 -","4","1","CV6464","Said, Ikram M.; Noor, Ainal F. A.; Syah, Yana M.; Latif, Jalifah; Ngah, Nurziana; Yamin, Bohari M.","<i>ent</i>-(8<i>S</i>,10<i>R</i>)-15,16-Epoxy-19-norcleroda-4,11,13(16),14-tetraene-18,6(<i>R</i>):20,12-diolactone (isocrotocaudin)","Acta Crystallographica Section E","2005","61","4","o1035","o1037","10.1107/S1600536805007725","","","0.71073","MoKα","","0.068","0.056","","","0.11","0.113","","","","","","1.18","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205481","11.2528","0.0002","14.3549","0.0003","20.7998","0.0005","90","","90","","90","","3359.85","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4S,5S,10S,13R,14R,17R)-4α,14α-Dimethyl-3β-tosyl-5α-cholest-8-ene- 7,11-dione","","- C36 H52 O5 S -","- C36 H52 O5 S -","- C144 H208 O20 S4 -","4","1","DN6211","Auhmani, A.; Giorgi, M.; Mazoir, N.","(3<i>S</i>,4<i>S</i>,5<i>S</i>,10<i>S</i>,13<i>R</i>,14<i>R</i>,17<i>R</i>)-4α,14α-Dimethyl-3β-tosyl-5α-cholest-8-ene-7,11-dione","Acta Crystallographica Section E","2005","61","4","o1190","o1192","10.1107/S1600536805009761","","","0.71073","MoKα","","0.0683","0.0564","","","0.142","0.1561","","","","","","1.081","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205485","5.4066","0.0007","10.3363","0.0014","17.434","0.002","90","","90","","90","","974.3","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Diacetyltartaric acid anhydride","","- C8 H8 O7 -","- C8 H8 O7 -","- C32 H32 O28 -","4","1","GH6017","Zhao-Bin Qi; Ming-Jie Zhang; Dong-Yan Yuan; Shan-Shan Ma; Xiang-Qian Wang","(2<i>R</i>,3<i>R</i>)-Diacetyltartaric acid anhydride","Acta Crystallographica Section E","2005","61","4","o1085","o1086","10.1107/S1600536805008469","","","0.71073","MoKα","","0.0454","0.0351","","","0.095","0.0996","","","","","","1.071","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205486","7.2959","0.0007","9.4843","0.0009","16.0204","0.0016","90","","90","","90","","1108.56","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-amino-1-butanol (2R,3R)-tartrate","","- C8 H17 N O7 -","- C8 H17 N O7 -","- C32 H68 N4 O28 -","4","1","GH6018","Bai, Guo-Yi; Chen, Li-Gong; Li, Yang; Yan, Xi-Long; Xing, Peng; Dong, Chuan-Ming; Duan, Xue-Min; Zhang, Yue-Cheng; Ge, Feng-Yan","(<i>S</i>)-2-Ammoniobutan-1-ol (2<i>R</i>,3<i>R</i>)-tartrate","Acta Crystallographica Section E","2005","61","4","o1125","o1126","10.1107/S1600536805008767","","","0.71073","MoKα","","0.0328","0.0303","","","0.0814","0.0828","","","","","","1.059","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205487","7.1361","0.0012","17.251","0.003","19.541","0.003","90","","90","","90","","2405.6","0.7","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl[η^6^-(S,S)-1-[2-methoxy-3,6-bis(trimethylsilyl)phenyl]-N,N- dimethylethylamine]chromium(0)","","- C20 H33 Cr N O4 Si2 -","- C20 H33 Cr N O4 Si2 -","- C80 H132 Cr4 N4 O16 Si8 -","4","1","HB6159","Braun, Wolfgang; Calmuschi, Beatrice; Totev, Daniel; Salzer, Albrecht","Tricarbonyl{η^6^-(<i>S,S</i>)-1-[2-methoxy-3,6-bis(trimethylsilyl)phenyl]-<i>N,N</i>-dimethylethylamine}chromium(0)","Acta Crystallographica Section E","2005","61","4","m647","m648","10.1107/S1600536805006008","","","0.71073","MoKα","","0.0419","0.0328","","","0.0693","0.0843","","","","","","0.921","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205511","5.6507","0.0006","12.8745","0.0017","24.386","0.003","90","","90","","90","","1774.1","0.4","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2S,3S)-3-phenyloxirane-2-carboxylate","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","HG6156","Shan-Zhong Jian; Yan-Guang Wang","(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexyl (2<i>S</i>,3<i>S</i>)-3-phenyloxirane-2-carboxylate","Acta Crystallographica Section E","2005","61","4","o1135","o1136","10.1107/S1600536805008883","","","0.71069","MoKα","","","0.0467","","","","0.1235","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205516","8.424","0.005","10.184","0.005","20.943","0.005","90","","90","","90","","1796.7","1.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[triaquacadmium(II)-μ~3~-lactato] dilactatoboron(1-)]","","- C9 H19 B Cd O12 -","- C9 H19 B Cd O12 -","- C36 H76 B4 Cd4 O48 -","4","1","IS6052","Mehmet Akkurt; Sema Öztürk Yıldırım; Jayaraman Ramajothi; Orhan Büyükgüngör; Sivasubramanian Dhanuskodi","Poly[[triaquacadmium(II)-μ~3~-lactato] dilactatoboron(1‒)]","Acta Crystallographica Section E","2005","61","4","m632","m634","10.1107/S1600536805005970","","","0.71073","MoKα","","0.0311","0.0241","","","0.0505","0.0518","","","","","","0.933","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2205533","6.9281","0.0002","8.6629","0.0002","24.3962","0.0007","90","","90","","90","","1464.2","0.07","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(3-Thienyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","LH6335","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(3-Thienyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile","Acta Crystallographica Section E","2005","61","4","o933","o935","10.1107/S160053680500680X","","","0.71073","MoKα","","0.0554","0.0395","","","0.0807","0.0871","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205562","6.756","0.002","8.783","0.003","11.271","0.004","90","","90","","90","","668.8","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R*,2S*,4S*,5S*)-Cyclohexane-1,2,4,5-tetraol","","- C6 H12 O4 -","- C6 H12 O4 -","- C24 H48 O16 -","4","1","OB6485","Goverdhan Mehta; Saikat Sen; Siddharth Dey","(1<i>R</i>*,2<i>S</i>*,4<i>S</i>*,5<i>S</i>*)-Cyclohexane-1,2,4,5-tetrol","Acta Crystallographica Section E","2005","61","4","o920","o922","10.1107/S1600536805006653","","","0.71073","MoKα","","0.0295","0.0289","","","0.0804","0.0808","","","","","","1.182","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205570","9.797","0.002","10.29","0.003","13.856","0.003","90","","90","","90","","1396.8","0.6","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-tert-Butyl-4-isopropylideneamino-3-methylsulfanyl-1,2,4-triazin-5(4H)-one","","- C11 H18 N4 O S -","- C11 H18 N4 O S -","- C44 H72 N16 O4 S4 -","4","1","OB6495","Chopra, Deepak; Mohan, T. P.; Rao, K.S.; Guru Row, T. N.","6-<i>tert</i>-Butyl-4-isopropylideneamino-3-methylsulfanyl-1,2,4-triazin-5(4<i>H</i>)-one","Acta Crystallographica Section E","2005","61","4","o1112","o1114","10.1107/S1600536805008585","","","0.71073","MoKα","","0.0547","0.047","","","0.1027","0.1058","","","","","","1.151","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205572","5.995","0.004","10.54","0.004","12.586","0.006","90","","90","","90","","795.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[zinc(II)-μ~2~-azido-κ^2^N^1^:N^1^-μ~3~-nicotinato-κ^3^N:O:O']","","- C6 H4 N4 O2 Zn -","- C6 H4 N4 O2 Zn -","- C24 H16 N16 O8 Zn4 -","4","1","OM6229","Chen, Hong-Ji","Poly[zinc(II)-μ~2~-azido-κ^2^<i>N</i>^1^:<i>N</i>^1^-μ~3~-nicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2005","61","4","m616","m618","10.1107/S1600536805005866","","","0.71073","MoKα","","0.0283","0.0242","","","0.0583","0.0599","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205617","5.4716","0.0004","12.48","0.001","16.695","0.001","90","","90","","90","","1140.03","0.14","292","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,2'-Diaminodibenzyl","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","WN6331","Narasegowda, R. S.; Malathy Sony, S. M.; Mondal, S.; Nagaraj, B.; Yathirajan, H. S.; Narasimhamurthy, T.; Charles, P.; Ponnuswamy, M. N.; Nethaji, M.; Rathore, R. S.","2,2'-Diaminodibenzyl: a rare case of crystallographically non-compliant molecular symmetry","Acta Crystallographica Section E","2005","61","4","o843","o845","10.1107/S1600536805006021","","","0.71073","MoKα","","0.0446","0.04","","","0.0998","0.1025","","","","","","1.108","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205627","5.8037","0.0007","12.0508","0.0015","20.16","0.003","90","","90","","90","","1410","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S)-1-(2-Hydroxy-1-naphthylmethyl)pyrrolidinio-2-carboxylate","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","WW6352","Dong, Chuan-Ming; Chen, Li-Gong; Duan, Xue-Min; Shu, Xue-Gui; Zeng, Tao; Li, Yang","<i>N</i>-(2-Hydroxy-1-naphthylmethyl)-(<i>S</i>)-proline","Acta Crystallographica Section E","2005","61","4","o960","o961","10.1107/S1600536805006859","","","0.71073","MoKα","","0.0661","0.0387","","","0.0985","0.1131","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205632","10.4015","0.0016","23.653","0.004","32.204","0.005","90","","90","","90","","7923","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2α,3β,12β,20S-Trihydroxydammar-24-ene 20-O-β-D-glucopyranoside","","- C38.5 H72 O11.5 -","- C38.5 H72 O11.5 -","- C308 H576 O92 -","8","2","AC6165","Valentina Razmovski-Naumovski; Rujee K. Duke; Peter Turner; Colin C. Duke","(20<i>S</i>)-2α,3β,12β-Trihydroxydammar-24-ene 20-<i>O</i>-β-<small>D</small>-glucopyranoside (Gynosaponin TN1) as the 2.5-methanol solvate","Acta Crystallographica Section E","2005","61","5","o1239","o1241","10.1107/S1600536805009773","","","0.71073","MoKα","","0.0634","0.0549","","","0.1525","0.1583","","","","","","1.38","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2205643","5.5138","0.0004","7.1866","0.0005","12.0459","0.0004","90","","90","","90","","477.32","0.05","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","para-aminopyridine","4-aminopyridine","","- C5 H6 N2 -","- C5 H6 N2 -","- C20 H24 N8 -","4","1","BT6634","Anderson, Frankie P.; Gallagher, John F.; Kenny, Peter T.M.; Lough, Alan J.","Redetermination of <i>para</i>-aminopyridine (fampridine, EL-970)at 150 K","Acta Crystallographica Section E","2005","61","5","o1350","o1353","10.1107/S1600536805010433","","","0.71073","MolybdenumKα","","0.0376","0.0314","","","0.082","0.0858","","","","","","1.101","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205644","10.6453","0.0018","10.7928","0.0019","11.458","0.002","90","","90","","90","","1316.4","0.4","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonyl[η^6^-(R)-N,N-dimethyl-1-phenylethylamine]chromium(0)","","- C13 H15 Cr N O3 -","- C13 H15 Cr N O3 -","- C52 H60 Cr4 N4 O12 -","4","1","BT6636","Braun, Wolfgang; Calmuschi, Beatrice; Salzer, Albrecht","Tricarbonyl[η^6^-(<i>R</i>)-<i>N,N</i>-dimethyl-1-phenylethylamine]chromium(0)","Acta Crystallographica Section E","2005","61","5","m828","m829","10.1107/S160053680501007X","","","0.71073","MoKα","","0.0228","0.0222","","","0.0603","0.0608","","","","","","1.072","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205652","10.029","0.001","10.476","0.001","13.2088","0.0013","90","","90","","90","","1387.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","S-Dianin's compound","(S)-4-(4-Hydroxyphenyl)-2,2,4-trimethylchroman","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","BT6647","Gareth O. Lloyd; Martin W. Bredenkamp","(<i>S</i>)-4-(4-Hydroxyphenyl)-2,2,4-trimethylchroman","Acta Crystallographica Section E","2005","61","5","o1512","o1514","10.1107/S1600536805012651","","","0.71073","MoKα","","0.0414","0.0384","","","0.0975","0.0997","","","","","","1.058","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205716","8.682","0.001","9.421","0.001","32.108","0.003","90","","90","","90","","2626.2","0.5","291","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Pentacarbonyl (diphenyl(N-propylamine)phosphine) diiron(μ-1,3-dithiolate propane)","","- C23 H24 Fe2 N O5 P S2 -","- C23 H24 Fe2 N O5 P S2 -","- C92 H96 Fe8 N4 O20 P4 S8 -","4","1","HB6172","Ekström, Jesper; Ott, Sascha; Sun, Licheng; Åkermark, Björn; Eriksson, Lars","Pentacarbonyl(diphenyl(<i>N</i>-propylamine)phosphine)diiron(μ-1,3-propanedithiolate)","Acta Crystallographica Section E","2005","61","5","m852","m853","10.1107/S1600536805010809","","","0.71073","MoKα","","0.123","0.0349","","","0.0488","0.0578","","","","","","0.885","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205730","7.6811","0.0015","9.754","0.002","14.357","0.003","90","","90","","90","","1075.6","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Naphthalene-1,4,5,8-tetracarboxylic 1,8-anhydride","","- C14 H6 O7 -","- C14 H6 O7 -","- C56 H24 O28 -","4","1","HG6153","Xu, Yan-Qing; Yuan, Da-Qiang; Zhou, You-Fu; Wu, Ming-Yan; Hong, Mao-Chun","Naphthalene-1,4,5,8-tetracarboxylic 1,8-anhydride","Acta Crystallographica Section E","2005","61","5","o1294","o1296","10.1107/S1600536805009463","","","0.71073","MoKα","","0.0821","0.0634","","","0.128","0.1385","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205734","7.2253","0.0001","8.1217","0.0001","32.7768","0.0004","90","","90","","90","","1923.4","0.04","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 F O6 -","- C22 H23 F O6 -","- C88 H92 F4 O24 -","4","1","HG6164","Jian-Hua Zhong; Shan-Zhong Jian; Xue-Ying He; Yan-Guang Wang","(5α,8α,9β,11<i>S</i>)-5,7,8,9-Tetrahydro-11-(fluoromethyl)-9-(3,4,5-trimethoxyphenyl)-5,8-methano-1,3-dioxolo[4,5-<i>h</i>][2]benzoxepin","Acta Crystallographica Section E","2005","61","5","o1280","o1282","10.1107/S1600536805010366","","","0.71069","MoKα","","","0.05","","","","0.1428","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205791","4.9278","0.0006","12.6217","0.0014","19.601","0.002","90","","90","","90","","1219.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 3-oxo-1,2-benzoisothiazoline-2-acetate 1,1-dioxide","","- C11 H11 N O5 S -","- C11 H11 N O5 S -","- C44 H44 N4 O20 S4 -","4","1","RZ6064","Xu, Liang-Zhong; Si, Guo-Dong; Li, Zai-Feng; Yang, Shuang-Hua; Li, Kai","Ethyl 3-oxo-1,2-benzisothiazoline-2-acetate 1,1-dioxide","Acta Crystallographica Section E","2005","61","5","o1329","o1330","10.1107/S1600536805010949","","","0.71073","MoKα","","0.0354","0.0291","","","0.0732","0.0754","","","","","","1.022","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205802","7.726","0.0003","11.7276","0.0005","14.6536","0.0008","90","","90","","90","","1327.73","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(5-Indanyloxy)phthalonitrile","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C68 H48 N8 O4 -","4","1","SJ6060","Yazıcı, Serap; Akdemir, Nesuhi; Aǧar, Erbil; Özil, Musa; Şenel, İsmet","4-(5-Indanyloxy)phthalonitrile","Acta Crystallographica Section E","2005","61","5","o1304","o1305","10.1107/S1600536805010330","","","0.71073","MoKα","","0.0385","0.0345","","","0.0861","0.0878","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205806","5.207","0.0005","14.0918","0.0018","18.1737","0.0018","90","","90","","90","","1333.5","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-methoxy-6-[(2-trifluoromethylphenylimino)methyl]phenol","","- C15 H12 F3 N O2 -","- C15 H12 F3 N O2 -","- C60 H48 F12 N4 O8 -","4","1","SJ6066","Şahin, Onur; Büyükgüngör, Orhan; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa","(<i>E</i>)-2-Methoxy-6-[(2-trifluoromethylphenylimino)methyl]phenol","Acta Crystallographica Section E","2005","61","5","o1288","o1290","10.1107/S1600536805010342","","","0.71073","MoKα","","0.0779","0.0537","","","0.1146","0.1231","","","","","","0.891","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205809","6.9836","0.0014","15.597","0.003","17.506","0.004","90","","90","","90","","1906.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Catena-poly[aqua(2,2'-bipyridine)copper(II)-μ-benzene-1,4-dioxyacetato]","","- C20 H18 Cu N2 O7 -","- C20 H18 Cu N2 O7 -","- C80 H72 Cu4 N8 O28 -","4","1","SJ6070","Gao, Shan; Huo, Li-Hua; Liu, Ji-Wei; Zhao, Hui","Catena-poly[aqua(2,2'-bipyridine)copper(II)-μ-benzene-1,4-dioxyacetato]","Acta Crystallographica Section E","2005","61","5","m895","m897","10.1107/S1600536805011372","","","0.71073","MoKα","","0.098","0.058","","","0.078","0.086","","","","","","1.03","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2205819","13.3335","0.0009","12.1528","0.0008","9.621","0.0006","90","","90","","90","","1558.98","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl N O4 -","- C12 H28 Cl N O4 -","- C48 H112 Cl4 N4 O16 -","4","1","TK6220","Fujihara, Takashi; Kato, Masaru; Nagasawa, Akira","Tetra-<i>n</i>-propylammonium perchlorate","Acta Crystallographica Section E","2005","61","5","o1439","o1440","10.1107/S1600536805012006","","","0.71073","MoKα","","0.067","0.049","","","0.102","0.108","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205833","6.2128","0.0007","10.0405","0.0011","17.4701","0.0019","90","","90","","90","","1089.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 3,5-dinitro salicylate","","- C9 H8 N2 O7 -","- C9 H8 N2 O7 -","- C36 H32 N8 O28 -","4","1","WW6364","Jin, Long-Fei; Xiao, Feng-Ping","Ethyl 3,5-dinitrosalicylate","Acta Crystallographica Section E","2005","61","5","o1263","o1264","10.1107/S160053680501041X","","","0.71073","MoKα","","0.0699","0.0501","","","0.1164","0.1264","","","","","","1.088","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205851","3.8956","0.0003","11.3796","0.0014","18.3249","0.0018","90","","90","","90","","812.35","0.14","296","","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Acetamidobenzonitrile","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C36 H32 N8 O4 -","4","1","AT6007","Burcu Arslan; Canan Kazak; Cumhur Kirilmis; Murat Koca; Orhan Büyükgüngör","2-Acetamidobenzonitrile","Acta Crystallographica Section E","2005","61","6","o1652","o1653","10.1107/S1600536805013152","","","0.71073","MoKα","","0.042","0.032","","","0.077","0.079","","","","","","0.92","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205885","9.2012","0.0001","16.9571","0.0003","26.3555","0.0004","90","","90","","90","","4112.13","0.11","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Acetamido-N-benzyl-1,4-imino-1,2,4-trideoxy-L-arabinitol","","- C14 H20.67 N2 O3.33 -","- C14 H20.6667 N2 O3.33333 -","- C168 H248 N24 O40 -","12","3","CF6423","Christopher C. Harding; J.S Shane Rountree; David J. Watkin; Andrew R. Cowley; Terry D. Butters; Mark R. Wormald; Raymond A. Dwek; George W. J. Fleet","2-Acetamido-<i>N</i>-benzyl-1,4-imino-1,2,4-trideoxy-<small>L</small>-arabinitol 0.33-hydrate","Acta Crystallographica Section E","2005","61","6","o1683","o1685","10.1107/S1600536805014455","","","0.71073","MoKα","","0.0893","0.0464","","0.1116","0.0961","0.1116","","","","","","0.8135","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205886","6.6195","0.0002","10.4127","0.0003","16.3294","0.0007","90","","90","","90","","1125.53","0.07","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3R,4R)-Methyl 2-bromo-3,4-dihydroxy-3,4-O-isopropylidenetetrahydrofuran- 2-carboxylate","","- C9 H13 Br O5 -","- C9 H13 Br O5 -","- C36 H52 Br4 O20 -","4","1","CF6424","Probert, Michael R.; Watkin, David J.; Stewart, Alistair J.; Storer, Richard; Fleet, George W. J.","(2<i>R</i>,3<i>R</i>,4<i>R</i>)-Methyl 2-bromo-3,4-dihydroxy-3,4-<i>O</i>-isopropylidenetetrahydrofuran-2-carboxylate","Acta Crystallographica Section E","2005","61","6","o1718","o1720","10.1107/S1600536805014467","","","0.71073","MoKα","","0.0501","0.0501","","0.097","0.097","0.097","","","","","","0.9731","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205913","9.5674","0.0002","11.702","0.0003","22.2785","0.0004","90","","90","","90","","2494.25","0.09","150","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(10,11-Dihydrodibenz[b,f]azepin-5-yl)ethanone","","- C16 H15 N O -","- C16 H15 N O -","- C128 H120 N8 O8 -","8","2","CV6502","Basavegowda Nagaraj; Hemmige S. Yathirajan; Daniel E. Lynch","1-(10,11-Dihydrodibenz[<i>b</i>,<i>f</i>]azepin-5-yl)ethanone","Acta Crystallographica Section E","2005","61","6","o1609","o1610","10.1107/S1600536805013115","","","0.71073","MoKα","","0.0386","0.0314","","","0.0726","0.0763","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205916","6.952","0.002","8.522","0.003","30.12","0.009","90","","90","","90","","1784.5","1","292","","292","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Carboxymethyl-2-(hydroxyquinolin-4-ylmethyl)-5-vinyl-1- azoniabicyclo[2.2.2]octane","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","CV6507","Li-Ping Zhang; Jian Lv; Yi , Li; Yong-Mei Wang","1-Carboxylatomethyl-2-(hydroxyquinolin-4-ylmethyl)-5-vinyl-1-azoniabicyclo[2.2.2]octane, a zwitterion of the Cinchona alkaloid complex","Acta Crystallographica Section E","2005","61","6","o1855","o1857","10.1107/S1600536805015709","","","0.71073","MoKα","","0.093","0.0605","","","0.1075","0.117","","","","","","1.084","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2205955","6.1837","0.0011","15.147","0.002","17.536","0.002","90","","90","","90","","1642.5","0.4","133","2","133","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","2,5,2'',5''-Tetramethyl-p-terphenyl","","- C22 H22 -","- C22 H22 -","- C88 H88 -","4","1","HB6209","Jones, Peter G.; Kuś, Piotr; Pasewicz, Anna","2,5,2'',5''-Tetramethyl-<i>p</i>-terphenyl","Acta Crystallographica Section E","2005","61","6","o1895","o1896","10.1107/S1600536805016259","","","0.71073","MoKα","","0.0545","0.045","","","0.1167","0.1222","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205965","8.2148","0.0008","14.31","0.002","16.816","0.0017","90","","90","","90","","1976.8","0.4","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,3S,4R)-1,2,4,5-Tetraacetoxy-3-methoxypentyl acetate","","- C16 H24 O11 -","- C16 H24 O11 -","- C64 H96 O44 -","4","1","HG6181","V. Valdivia, Verónica; Sosa-Rivadeneyra, Martha; Quintero, Leticia; Bernès, Sylvain","(2<i>R</i>,3<i>S</i>,4<i>R</i>)-1,2,4,5-Tetraacetoxy-3-methoxypentyl acetate","Acta Crystallographica Section E","2005","61","6","o1643","o1645","10.1107/S1600536805013036","","","0.71073","MoKα","","0.0584","0.0395","","","0.098","0.1079","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2205966","5.8352","0.0011","8.0741","0.0014","34.311","0.007","90","","90","","90","","1616.5","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[3-(1,2,4-Triazol-1-yl)propionyl]phenyl 4-fluorobenzoate","","- C18 H14 F N3 O3 -","- C18 H14 F N3 O3 -","- C72 H56 F4 N12 O12 -","4","1","HG6182","Wei-Hua Li; Guo-Dong Si; Bao-Rong Hou; Zhi-Gang Yu; Fa-Qian Liu; Yong-Qi Qin","4-[3-(1,2,4-Triazol-1-yl)propionyl]phenyl 4-fluorobenzoate","Acta Crystallographica Section E","2005","61","6","o1788","o1789","10.1107/S1600536805014881","","","0.71073","MoKα","","0.0783","0.0365","","","0.0754","0.0925","","","","","","1.018","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205968","6.572","0.0009","14.3913","0.0002","30.5468","0.0003","90","","90","","90","","2889.1","0.4","295","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 3,5-O-bis(4-chlorobenzoyl)-2-deoxy-α-D-erythro-ribofuranoside","","- C29 H34 Cl2 O6 -","- C29 H34 Cl2 O6 -","- C116 H136 Cl8 O24 -","4","1","HG6185","Guo-Ming Yang; Zhi-Cai Shang; Yun Wang; Qin-Sen Yu","(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexyl 3,5-bis-<i>O</i>-(4-chlorobenzoyl)-2-deoxy-α-<small>D</small>-<i>erythro</i>-ribofuranoside","Acta Crystallographica Section E","2005","61","6","o1963","o1964","10.1107/S1600536805015503","","","0.71073","MoKα","","","0.0368","","","","0.0725","","","","","","0.991","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2205971","10.2654","0.0015","13.515","0.002","17.23","0.003","90","","90","","90","","2390.4","0.6","294","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dihydro-2,2-dimethylbenzofuran-7-yl N-methylcarbamate","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C96 H120 N8 O24 -","8","2","HG6190","Liang-Zhong Xu; Guan-Ping Yu; Shuang-Hua Yang","2,3-Dihydro-2,2-dimethylbenzofuran-7-yl <i>N</i>-methylcarbamate","Acta Crystallographica Section E","2005","61","6","o1924","o1926","10.1107/S1600536805016387","","","0.71073","MoKα","","0.0796","0.0407","","","0.0899","0.1085","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205978","10.17","0.003","14.934","0.004","29.568","0.008","90","","90","","90","","4491","2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","bis[(+)-(1R,4R)-3-(trifluoroacetyl)camphorato- κ^2^O,O'][bis(trimethylsilyl)amido-κN](1,3,5-trimethyl-1,3,5- triazacyclohexane-κ^3^N,N',N'')cerium(III)","","- C36 H61 Ce F6 N4 O4 Si2 -","- C36 H61 Ce F6 N4 O4 Si2 -","- C144 H244 Ce4 F24 N16 O16 Si8 -","4","1","HK6011","Niemeyer, Mark; Cristoffers, Jens; Michael Rössle","An optically active heteroleptic cerium camphorate: [bis(trimethylsilyl)amido-κ<i>N</i>]bis[(+)-(1<i>R</i>,4<i>R</i>)-3-(trifluoroacetyl)camphorato-κ^2^<i>O</i>,<i>O</i>'](1,3,5-trimethyl-1,3,5-triazacyclohexane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')cerium(III)","Acta Crystallographica Section E","2005","61","6","m1207","m1209","10.1107/S1600536805016193","","","0.71073","MoKα","","0.053","0.041","","","0.097","0.103","","","","","","1.47","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2205982","6.0329","0.0005","9.4215","0.001","33.796","0.004","90","","90","","90","","1920.9","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6R,7aS)-1,3,5,6,7,7a-Hexahydro-3-(2-hydroxyphenyl)-1,1- diphenylpyrrolo[1,2-c][1,3]oxazol-6-ol","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","1","IS6069","Zongxuan Shen; Ding Yi; Yawen Zhang; De-Chun Zhang","(6<i>R</i>,7a<i>S</i>)-1,3,5,6,7,7a-Hexahydro-3-(2-hydroxyphenyl)-1,1-diphenylpyrrolo[1,2-<i>c</i>][1,3]oxazol-6-ol","Acta Crystallographica Section E","2005","61","6","o1715","o1717","10.1107/S1600536805014303","","","0.7107","MoKα","","0.0444","0.0413","","","0.0909","0.0924","","","","","","1.15","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205986","5.2223","0.0013","11.781","0.003","22.738","0.005","90","","90","","90","","1398.9","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(9S)-2-(3-Benzoylthioureido)-3-methylbutyric acid","","- C13 H16 N2 O3 S -","- C13 H16 N2 O3 S -","- C52 H64 N8 O12 S4 -","4","1","IS6074","Ngah, Nurziana; Shah, Nabihah M.; Kassim, Mohammad B.; Yamin, Bohari M.","(2<i>S</i>)-2-(3-Benzoylthioureido)-3-methylbutyric acid","Acta Crystallographica Section E","2005","61","6","o1767","o1768","10.1107/S1600536805014662","","","0.71073","MoKα","","0.037","0.035","","","0.088","0.09","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2205996","8.168","0.003","10.933","0.003","28.446","0.008","90","","90","","90","","2540.2","1.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","24-Methylenecholest-4-ene-3β,6β-diol","","- C28 H46 O2 -","- C28 H46 O2 -","- C112 H184 O8 -","4","1","JH6008","Hui Lin; Shi-Hai Xu; Xiang-Chao Zeng; Xiao-Jian Liao","24-Methylenecholest-4-ene-3β,6β-diol","Acta Crystallographica Section E","2005","61","6","o1959","o1960","10.1107/S1600536805016740","","","0.71073","MoKα","","0.1019","0.0613","","","0.1777","0.2153","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206008","10.2706","0.0001","12.5577","0.0002","13.3708","0.0002","90","","90","","90","","1724.5","0.04","123","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","O^1^,O^2^:O^3^,O^5^-Bis(phenylboranediyl)-α-D-glucofuranose","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","LH6421","Draffin, Scott P.; Duggan, Peter J.; Fallon, Gary D.; Tyndall, Edward M.","<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^3^,<i>O</i>^5^-Bis(phenylboranediyl)-α-<small>D</small>-glucofuranose","Acta Crystallographica Section E","2005","61","6","o1733","o1735","10.1107/S1600536805014480","","","0.71073","MoKα","","","0.0318","","","","0.07","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206014","6.946","0.002","10.204","0.002","12.088","0.004","90","","90","","90","","856.8","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Acetoxy-1-acetyl-3-pyrrolin-2-one","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","1","LH6429","Tooke, Duncan M.; Lutz, Martin; Spek, Anthony L.","5-Acetoxy-1-acetyl-3-pyrrolin-2-one","Acta Crystallographica Section E","2005","61","6","o1877","o1879","10.1107/S160053680501545X","","","0.71073","MoKα","","0.0699","0.0415","","","0.0795","0.0897","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206015","9.4952","0.0002","13.2026","0.0003","31.5269","0.0006","90","","90","","90","","3952.25","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyclo-tetrakis{μ~2~-[(dimethylamino)methyl]phenyl-κ^3^C^2^:C^2^,N}copper tetrahydrofuran solvate","cyclo-tetrakis{μ~2~-[(dimethylamino)methyl]phenyl-κ^3^C^2^:C^2^,N}copper tetrahydrofuran solvate","","- C40 H56 Cu4 N4 O -","- C40 H56 Cu4 N4 O -","- C160 H224 Cu16 N16 O4 -","4","1","LH6430","Tooke, Duncan M.; Lutz, Martin; Spek, Anthony L.","A second polymorph of <i>cyclo</i>-tetrakis{μ~2~-[(dimethylamino)methyl]phenyl-κ^3^<i>C</i>^2^:<i>C</i>^2^,<i>N</i>}copper tetrahydrofuran solvate","Acta Crystallographica Section E","2005","61","6","m1245","m1247","10.1107/S1600536805016685","","","0.71073","MoKα","","0.0201","0.0187","","","0.0438","0.0448","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206052","4.9893","0.0008","6.3013","0.001","26.79","0.004","90","","90","","90","","842.3","0.2","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4-Dichlorobenzohydroxamic acid","","- C7 H5 Cl2 N O2 -","- C7 H5 Cl2 N O2 -","- C28 H20 Cl8 N4 O8 -","4","1","RZ6078","Shang, Xian-Mei; Meng, Xiang-Gao; Wu, Ji-Zhou; Li, Qing-Shan","2,4-Dichlorobenzohydroxamic acid","Acta Crystallographica Section E","2005","61","6","o1961","o1962","10.1107/S1600536805016557","","","0.71073","MoKα","","0.0549","0.0434","","","0.0938","0.1001","","","","","","1.03","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206053","9.562","0.003","9.83","0.003","31.393","0.005","90","","90","","90","","2950.8","1.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 N O11 S -","- C29 H35 N O11 S -","- C116 H140 N4 O44 S4 -","4","1","RZ6082","Jian-Rong Su; Duan-Jun Xu","(<i>R</i>)-Methioninium‒(<i>R</i>)-mandelate‒(<i>R</i>)-mandelic acid (1/1/2)","Acta Crystallographica Section E","2005","61","6","o1933","o1935","10.1107/S160053680501620X","","","0.71073","MoKα","","0.167","0.086","","","0.208","0.25","","","","","","0.983","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206087","10.305","0.001","12.088","0.001","20.341","0.002","90","","90","","90","","2533.8","0.4","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","L-(-)-dichloro(N,N-diethyldithiocarbamato)(β-menthoxycarbonylethyl)tin(IV)","","- C18 H33 Cl2 N O2 S2 Sn -","- C18 H33 Cl2 N O2 S2 Sn -","- C72 H132 Cl8 N4 O8 S8 Sn4 -","4","1","TK6223","Ng, Seik Weng","Redetermination of <small>L</small>-(‒)-dichloro(<i>N,N</i>-diethyldithiocarbamato)(β-menthoxycarbonylethyl)tin(IV)","Acta Crystallographica Section E","2005","61","6","m1051","m1052","10.1107/S160053680501281X","","","0.71073","MoKα","","0.041","0.035","","","0.075","0.079","","","","","","1","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206094","8.236","0.002","15.237","0.003","22.724","0.005","90","","90","","90","","2851.7","1.1","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","europium antimony sulfide","europium antimony sulfide","","- Eu6 S17 Sb6 -","- Eu6 S17 Sb6 -","- Eu24 S68 Sb24 -","4","1","WM6069","Jin, Gengbang; Wells, Daniel M.; Crerar, Shane J.; Shehee, Thomas C.; Mar, Arthur; Albrecht-Schmitt, Thomas E.","Europium antimony sulfide, Eu~6~Sb~6~S~17~","Acta Crystallographica Section E","2005","61","6","i116","i119","10.1107/S1600536805016211","","","0.71073","MoKα","","0.0381","0.0311","","","0.0602","0.0615","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206097","7.931","0.0005","11.9091","0.001","21.3948","0.0015","90","","90","","90","","2020.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4',4',6',6'-Tetrachloro-3-(4,6-dimethylpyridin-2-yl)-3,4-dihydrospiro[1,3,2- benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]","","- C14 H14 Cl4 N5 O P3 -","- C14 H14 Cl4 N5 O P3 -","- C56 H56 Cl16 N20 O4 P12 -","4","1","WN6350","Çaylak, Nagihan; Hökelek, Tuncer; Büyükgüngör, Orhan; Dal, Hakan; Süzen, Yasemin; Kılıç, Zeynel","4',4',6',6'-Tetrachloro-3-(4,6-dimethylpyridin-2-yl)-3,4-dihydrospiro[1,3,2-benzoxazaphosphinine-2,2'-(2λ^5^,4λ^5^,6λ^5^-cyclotriphosphazene)]","Acta Crystallographica Section E","2005","61","6","o1557","o1560","10.1107/S1600536805013383","","","0.71073","MoKα","","0.0321","0.0298","","","0.0738","0.0744","","","","","","0.984","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206112","5.31","0.0003","9.0392","0.0004","15.3871","0.0008","90","","90","","90","","738.55","0.07","299","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-Hydroxyphenylacetic acid","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","YA6248","Sandra Gracin; Andreas Fischer","4-Hydroxyphenylacetic acid","Acta Crystallographica Section E","2005","61","6","o1919","o1920","10.1107/S1600536805016405","","","0.71073","MoKα","","0.063","0.044","","","0.099","0.111","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206120","4.8966","0.0008","7.2049","0.0012","14.719","0.002","90","","90","","90","","519.28","0.14","168","2","168","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Methylimidazolidinetrione","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","1","BD6004","Rodriguez, Mark A.; Andrews, Nicholas L.; Boyle, Timothy J.; Frazer, Colleen S.","<i>N</i>-Methylimidazolidinetrione","Acta Crystallographica Section E","2005","61","7","o2288","o2290","10.1107/S1600536805019690","","","0.71073","MoKα","","0.0401","0.0313","","","0.0761","0.0812","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206172","8.6418","0.0004","11.8765","0.0006","18.2755","0.0012","90","","90","","90","","1875.69","0.18","193","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,6S,7R,8R,9S,9aS)-Methyl 6,9-diacetoxy-7,8-diazidoperhydro- 5-oxothiazolo[3,2-a]azepine-3-carboxylate","","- C14 H17 N7 O7 S -","- C14 H17 N7 O7 S -","- C56 H68 N28 O28 S4 -","4","1","CV6529","Hörger, Rolf; Marsch, Michael; Geyer, Armin; Harms, Klaus","(3<i>R</i>,6<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,9a<i>S</i>)-Methyl 6,9-diacetoxy-7,8-diazidoperhydro-5-oxothiazolo[3,2-<i>a</i>]azepine-3-carboxylate","Acta Crystallographica Section E","2005","61","7","o2191","o2192","10.1107/S160053680501843X","","","0.71073","MoKα","","","0.0229","","","","0.0574","","","","","","1.029","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206179","7.1407","0.0008","8.7188","0.001","16.8945","0.0019","90","","90","","90","","1051.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","triethylenediaminium dichloride dihydrate","1,4-diazaoniabicyclo[2.2.2]octane dichloride dihydrate","","- C6 H18 Cl2 N2 O2 -","- C6 H18 Cl2 N2 O2 -","- C24 H72 Cl8 N8 O8 -","4","1","DN6231","Thomas C. Lewis; Derek A. Tocher","A low-temperature determination of triethylenediaminium dichloride dihydrate","Acta Crystallographica Section E","2005","61","7","o2202","o2204","10.1107/S1600536805019124","","","0.71073","MoKα","","0.0208","0.0205","","","0.0523","0.0525","","","","","","1.06","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206181","4.9836","0.001","7.6562","0.0015","25.698","0.005","90","","90","","90","","980.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","guaiphenesin","3-(2-Methoxyphenoxy)propane-1,2-diol","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","FL6165","Yongli Wang; Ming Li; Lijun Liu; Lina Zhou; Jingkang Wang","3-(2-Methoxyphenoxy)propane-1,2-diol","Acta Crystallographica Section E","2005","61","7","o1999","o2000","10.1107/S1600536805016909","","","0.71073","MoKα","","0.0616","0.0482","","","0.14","0.1482","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206220","14.0356","0.0012","15.0658","0.0013","7.1354","0.0006","90","","90","","90","","1508.8","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-methoxy-12-methyl-12-azatetracyclo[9.3^1.10^.0^2.7^] heptadeca-2(7),3,5-triene","","- C18 H25 N O -","- C18 H25 N O -","- C72 H100 N4 O4 -","4","1","IS6088","Swamy, G. Y. S. K.; Ravikumar, K.; Bhujanga Rao, A. K. S.","Dextromethorphan, an antitussive agent","Acta Crystallographica Section E","2005","61","7","o2071","o2073","10.1107/S1600536805017782","","","0.71073","MoKα","","0.0403","0.0383","","","0.1007","0.1022","","","","","","1.082","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206235","9.569","0.007","10.723","0.006","15.416","0.006","90","","90","","90","","1581.8","1.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(1-Benzyl-2-hydroxy-ethyl)phthalamic acid","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","LH6442","McCormac, Paul B.; Pratt, Albert C.; Long, Conor; Howie, R. Alan","(<i>S</i>)-<i>N</i>-(1-Benzyl-2-hydroxyethyl)phthalamic acid","Acta Crystallographica Section E","2005","61","7","o2047","o2049","10.1107/S160053680501740X","","","0.71073","MoKα","","0.2404","0.0752","","","0.1053","0.1296","","","","","","0.853","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206250","5.47","0.001","16.618","0.003","17.322","0.003","90","","90","","90","","1574.6","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[o-Phenylenebis(salicylideneaminato)]copper(II)","","- C20 H14 Cu N2 O2 -","- C20 H14 Cu N2 O2 -","- C80 H56 Cu4 N8 O8 -","4","1","NG6151","Yang, Yu-Min","[<i>o</i>-Phenylenebis(salicylideneaminato)]copper(II)","Acta Crystallographica Section E","2005","61","7","m1425","m1426","10.1107/S1600536805019975","","","0.71073","MoKα","","0.1299","0.0756","","","0.1446","0.1711","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2206253","12.7001","0.0014","32.015","0.005","7.3041","0.0019","90","","90","","90","","2969.8","1","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium 3-nitrohydrogenphthalate dihydrate","2,3-dimethoxystrychnidinium-10-one 2-carboxy-6-nitrophthalate dihydrate","","- C31 H35 N3 O12 -","- C31 H35 N3 O12 -","- C124 H140 N12 O48 -","4","1","OB6527","Graham Smith; Urs D. Wermuth; David J. Young; Peter C. Healy","Brucinium 2-carboxy-6-nitrophthalate dihydrate: the 1:1 proton-transfer compound of brucine with 3-nitrophthalic acid","Acta Crystallographica Section E","2005","61","7","o2008","o2011","10.1107/S1600536805017149","","","0.71069","MoKα","","0.0935","0.065","","","0.1626","0.1794","","","","","","1.169","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206255","11.5861","0.0005","13.7665","0.0007","16.8391","0.0008","90","","90","","90","","2685.8","0.2","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5R,6R,7R,9R,13R,14S)-21-Cyclopropylmethyl-6,14-endo-ethano- 2',3',4',5',7,8-hexahydro-4',4',5',5'-tetramethylfurano- [2',3'6,7]normorphide hydrochloride methanol solvate","","- C29 H42 Cl N O4 -","- C29 H42 Cl N O4 -","- C116 H168 Cl4 N4 O16 -","4","1","OB6533","Čejka, Jan; Kratochvíl, Bohumil; Chudík, Miloslav; Jegorov, Alexandr","(5<i>R</i>,6<i>R</i>,7<i>R</i>,9<i>R</i>,13<i>R</i>,14<i>S</i>)-21-Cyclopropylmethyl-6,14-<i>endo</i>-ethano-2',3',4',5',7,8-hexahydro-4',4',5',5'-tetramethylfurano[2',3'6,7]normorphide hydrochloride methanol solvate","Acta Crystallographica Section E","2005","61","7","o2274","o2276","10.1107/S1600536805019410","","","1.5418","CuKα","","0.0461","0.0412","","0.0524","0.0491","0.0491","","","","","","1.0818","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206266","11.5254","0.0014","14.5357","0.0018","15.769","0.002","90","","90","","90","","2641.8","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6α-Hydroxy-12-oleanen-3-one","","- C30 H48 O2 -","- C30 H48 O2 -","- C120 H192 O8 -","4","1","RZ6077","Kui-Wu Wang; Cui-Rong Sun; Xiao-Ji Cao; Yuan-Jiang Pan","6α-Hydroxy-12-oleanen-3-one: a triterpenoid from the stalks of <i>Celastrus hypoleucus</i>","Acta Crystallographica Section E","2005","61","7","o2022","o2023","10.1107/S1600536805017216","","","0.71073","MoKα","","0.047","0.0372","","","0.1011","0.1069","","","","","","1.074","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206285","7.4688","0.0015","9.6157","0.0019","39.192","0.008","90","","90","","90","","2814.7","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25R)-spirost-5-en-3-ol dimethyl sulfoxide solvate","","- C29 H48 O4 S -","- C29 H48 O4 S -","- C116 H192 O16 S4 -","4","1","SG6018","Xiufeng Zhang; Yan Cui; Lanfen Wang; Shiwei Zhang; Baozhen Yan; Yang Liu","(25<i>R</i>)-Spirost-5-en-3-ol dimethyl sulfoxide solvate","Acta Crystallographica Section E","2005","61","7","o2324","o2325","10.1107/S1600536805019884","","","0.71073","MoKα","","0.1408","0.0626","","","0.1546","0.1989","","","","","","1.046","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206306","8.0521","0.0001","9.711","0.0001","35.8868","0.0004","90","","90","","90","","2806.13","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(p-Tolyl)-β-L-rhamnopyranosylamine 1.5-hydrate","","- C13 H22 N O5.5 -","- C13 H22 N O5.5 -","- C104 H176 N8 O44 -","8","2","TK6228","Punzo, Francesco; Watkin, David J.; Cook, Joseph M. D.; Hotchkiss, David; Fleet, George W. J.","<i>N</i>-(<i>p</i>-Tolyl)-β-<small>L</small>-rhamnopyranosylamine 1.5-hydrate","Acta Crystallographica Section E","2005","61","7","o2155","o2157","10.1107/S1600536805018489","","","0.71073","MoKα","","0.041","0.036","","0.096","0.093","0.096","","","","","","0.946","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2206311","5.5771","0.0001","14.6164","0.0003","19.2112","0.0004","90","","90","","90","","1566.04","0.05","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-O-Benzoyl-1,2-O-isopropylidene-β-D-fructopyranose","","- C16 H20 O7 -","- C16 H20 O7 -","- C64 H80 O28 -","4","1","WK6054","Langer, Vratislav; Mičová, Ju̇lia; Steiner, Bohumil; Koóš, Miroslav","3-<i>O</i>-Benzoyl-1,2-<i>O</i>-isopropylidene-β-<small>D</small>-fructopyranose","Acta Crystallographica Section E","2005","61","7","o2172","o2174","10.1107/S1600536805018520","","","0.71073","MoKα","","0.0642","0.0413","","","0.0881","0.1026","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206313","4.9916","0.0009","6.2388","0.0011","37.342","0.007","90","","90","","90","","1162.9","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(N-Phenylazo)aminobenzaldehyde","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C52 H44 N12 O4 -","4","1","WN6356","Liu, Xin-Gang; Feng, Ya-Qing; Liu, Dong-Qing; Zhao, Yao","4-[(Phenyldiazenyl)amino]benzaldehyde","Acta Crystallographica Section E","2005","61","7","o2185","o2186","10.1107/S1600536805018751","","","0.71073","MoKα","","0.07","0.0373","","","","0.0939","","","","","","1.083","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206329","8.6588","0.0004","12.3368","0.0007","15.4441","0.0009","90","","90","","90","","1649.77","0.15","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-O-acetylcodeine","6α-Acetoxy-4,5α-epoxy-3-methoxy-17-methyl-morphin-7-ene","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","AC6177","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","6α-Acetoxy-4,5α-epoxy-3-methoxy-17-methylmorphin-7-ene","Acta Crystallographica Section E","2005","61","8","o2579","o2581","10.1107/S1600536805022130","","","0.71073","MoKα","","0.0962","0.0475","","","0.0943","0.1125","","","","","","0.982","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206332","8.628","0.002","12.727","0.002","15.4842","0.0019","90","","90","","90","","1700.3","0.5","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-O-acetylcodeine","6α-acetoxy-4,5α-epoxy-3-methoxy-17-methyl-morphin-7-ene","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","AC6180","Tsonko Kolev; Rumyana Bakalska; Boris Shivachev; Rosica Petrova","6-<i>O</i>-Acetylcodeine","Acta Crystallographica Section E","2005","61","8","o2582","o2584","10.1107/S1600536805022129","","","0.71073","MoKα","","0.1107","0.0489","","","0.1056","0.1264","","","","","","0.978","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206380","12.3572","0.0017","12.6676","0.0011","15.874","0.003","90","","90","","90","","2484.9","0.6","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(9R,13R,14R)-7-(E)-Benzylidene-14-hydroxy-3,4-dimethoxy-17-methylmorphinan-6-one","","- C29 H33 N O4 -","- C29 H33 N O4 -","- C116 H132 N4 O16 -","4","1","CI6602","Parrish, Damon A.; Thatcher, Linn N.; Wu, Hui-Fang; Coop, Andrew; Deschamps, Jeffrey R.","(9<i>R</i>,13<i>R</i>,14<i>R</i>)-7-(<i>E</i>)-Benzylidene-14-hydroxy-3,4-dimethoxy-17-methylmorphinan-6-one","Acta Crystallographica Section E","2005","61","8","o2617","o2618","10.1107/S1600536805019987","","","1.54178","CuKα","","0.0654","0.0533","","","0.1373","0.1475","","","","","","1.043","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206395","6.478","0.0001","16.309","0.0002","26.245","0.0005","90","","90","","90","","2772.78","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,5S,10S,13S,14S,17S)-Methyl l3β-acetyl-25,26,27-trisnorlanost-8-en-24-oate","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","1","CV6539","Mazoir, N.; Giorgi, M.; Auhmani, A.","(3<i>S</i>,5<i>S</i>,10<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>S</i>)-Methyl 3β-acetyl-25,26,27-trisnorlanost-8-en-24-oate","Acta Crystallographica Section E","2005","61","8","o2382","o2383","10.1107/S1600536805020726","","","0.71073","MoKα","","0.0888","0.0641","","","0.1522","0.1729","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206443","7.2196","0.0005","12.9481","0.0009","15.1436","0.0009","90","","90","","90","","1415.63","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1R,2R,5R)-(+)-2α-Hydroxypinan-3-one ketimine","(1R,2R,5R)-2-hydroxy-2,6,6-trimethyl-3-[(3- pyridyl)methylimino]bicyclo[3.1.1]heptane","","- C16 H22 N2 O -","- C16 H22 N2 O -","- C64 H88 N8 O4 -","4","1","HG6205","Ayers, Joshua T.; Sonar, Vijayakumar N.; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.","(1<i>R</i>,2<i>R</i>,5<i>R</i>)-(+)-2α-Hydroxypinan-3-one ketimine","Acta Crystallographica, Section E","2005","61","8","2682","o2684","10.1107/S1600536805023287","","","0.71073","MoKα","","0.0771","0.0474","","","0.097","0.1089","","","","","","1.018","","","","has coordinates","277834","2022-09-14","16:39:44",""
"2206444","8.1321","0.0002","10.6922","0.0003","26.8033","0.0007","90","","90","","90","","2330.55","0.11","295","1","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-Acetoxymethyl-2-(2-methoxyphenoxy)tetrahydropyran-3,4,5-triyl triacetate","","- C21 H26 O11 -","- C21 H26 O11 -","- C84 H104 O44 -","4","1","HG6206","Zhou, Feng-Yan; Zhong, Jian-Hua","6-Acetoxymethyl-2-(2-methoxyphenoxy)tetrahydropyran-3,4,5-triyl triacetate","Acta Crystallographica, Section E: Structure Reports Online","2005","61","8","o2701","o2703","10.1107/S1600536805022804","","","0.7107","MoKα","","","0.04","","","","0.118","","","","","","1.012","","","","has coordinates,has Fobs","209472","2020-10-21","18:00:00",""
"2206475","8.52","0.002","12.646","0.003","12.917","0.003","90","","90","","90","","1391.7","0.6","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1R,4R)-(+)-3-benzoylcamphor","(+)-(1R,4R)-3-(hydroxy-benzylidene)-1,7,7-trimethyl- bicyclo[2.2.1]heptan-2-one","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","JH6011","Niemeyer, Mark; Gan, Min","The enol form of (+)-(1<i>R</i>,4<i>R</i>)-3-benzoylcamphor","Acta Crystallographica Section E","2005","61","8","o2363","o2365","10.1107/S1600536805020404","","","0.71073","MoKα","","0.04","0.035","","","0.089","0.092","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206477","10.2783","0.0011","11.4013","0.0011","11.593","0.0012","90","","90","","90","","1358.5","0.2","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-3-Isopropyl-5,5-dimethyl-2-(phenylimino)imidazolidin-4-one","","- C14 H19 N3 O -","- C14 H19 N3 O -","- C56 H76 N12 O4 -","4","1","KP6052","Ju-Zhen Yuan; Yang-Gen Hu; Jia-Jia Wei; Ming-Wu Ding","(<i>E</i>)-3-Isopropyl-5,5-dimethyl-2-(phenylimino)imidazolidin-4-one","Acta Crystallographica Section E","2005","61","8","o2640","o2641","10.1107/S1600536805022749","","","0.71073","MoKα","","0.0428","0.0389","","","0.1002","0.1027","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206489","6.748","0.0013","6.9559","0.0013","23.45","0.004","90","","90","","90","","1100.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Synepherine hydrochloride","2-hydroxy-2-(4-hydroxyphenyl)-N-methylethanaminium chloride","","- C9 H14 Cl N O2 -","- C9 H14 Cl N O2 -","- C36 H56 Cl4 N4 O8 -","4","1","LH6469","Muhammad Sajid; M. Iqbal Choudhary; Atta-ur-Rahman; Masood Parvez; Ietidal Eltahir Mohamed; Shazia Anjum","Absolute configuration of (<i>R</i>)-synephrine hydrochloride","Acta Crystallographica Section E","2005","61","8","o2534","o2536","10.1107/S160053680502180X","","","0.71073","MoKα","","0.097","0.067","","","0.109","0.12","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206504","5.7135","0.0005","12.6191","0.001","17.1549","0.0014","90","","90","","90","","1236.86","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methylphenyl benzyl sulfone","","- C14 H14 O2 S -","- C14 H14 O2 S -","- C56 H56 O8 S4 -","4","1","OB6530","Yong-Shu Li; Wei-Ke Su","4-Methylphenyl benzyl sulfone","Acta Crystallographica Section E","2005","61","8","o2450","o2451","10.1107/S1600536805021434","","","0.71073","MoKα","","0.0348","0.0332","","","0.0847","0.0857","","","","","","1.063","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206515","9.8855","0.0007","9.8856","0.0007","20.3477","0.0014","90","","90","","90","","1988.5","0.2","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2R,2'S)-2-(4-Methylphenylsulfonamido)-1-(pyrrolidine-2'- carboxamido)cyclohexane","","- C18 H27 N3 O3 S -","- C18 H27 N3 O3 S -","- C72 H108 N12 O12 S4 -","4","1","OB6551","Xinyong Li; Jiarong Chen; Xianggao Meng; Wenjing Xiao","(1<i>R</i>,2<i>R</i>,2'<i>S</i>)-2-(4-Methylphenylsulfonamido)-1-(pyrrolidine-2'-carboxamido)cyclohexane","Acta Crystallographica Section E","2005","61","8","o2730","o2732","10.1107/S1600536805023718","","","0.71073","MoKα","","0.0829","0.0562","","","0.0891","0.1006","","","","","","0.945","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206524","8.1306","0.0009","9.7446","0.0011","15.7357","0.0018","90","","90","","90","","1246.7","0.2","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(2-Methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine","","- C14 H16 N4 -","- C14 H16 N4 -","- C56 H64 N16 -","4","1","RN6056","Jing Cheng; Zuming liu; Guangfu Yang","1-(2-Methylpropyl)-1<i>H</i>-imidazo[4,5-<i>c</i>]quinolin-4-amine","Acta Crystallographica Section E","2005","61","8","o2638","o2639","10.1107/S1600536805022579","","","0.71073","MoKα","","0.0558","0.0467","","","0.1094","0.1149","","","","","","1.011","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206534","7.181","0.005","8.069","0.005","13.015","0.005","90","","90","","90","","754.1","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,5-Dimethoxycyclopent-4-ene-1,2,3-trione","","- C7 H6 O5 -","- C7 H6 O5 -","- C28 H24 O20 -","4","1","RZ6103","Chen, Hong-Yu; Fang, Qi; Xue, Gang; Yu, Wen-Tao","4,5-Dimethoxycyclopent-4-ene-1,2,3-trione","Acta Crystallographica Section E","2005","61","8","o2696","o2698","10.1107/S1600536805023068","","","0.71069","MoKα","","0.0883","0.0404","","","0.0905","0.1171","","","","","","0.944","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206542","5.3736","0.0002","7.0394","0.0003","15.191","0.0007","90","","90","","90","","574.63","0.04","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","cyclohexanone","","- C6 H10 O -","- C6 H10 O -","- C24 H40 O4 -","4","1","SJ6089","Howard A. Shallard-Brown; David J. Watkin; Andrew R. Cowley","Cyclohexanone at 150K","Acta Crystallographica Section E","2005","61","8","o2424","o2425","10.1107/S1600536805015977","","","0.71073","MoKα","","0.052","0.0462","","0.1189","0.1136","0.1189","","","","","","1.0183","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206557","4.9983","0.0011","5.5158","0.0012","26.418","0.006","90","","90","","90","","728.3","0.3","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,4-Difluorobenzohydroxamic acid","","- C7 H5 F2 N O2 -","- C7 H5 F2 N O2 -","- C28 H20 F8 N4 O8 -","4","1","SU6205","Shang, Xian-Mei; Meng, Xiang-Gao; Wu, Ji-Zhou; Li, Qing-Shan","3,4-Difluorobenzohydroxamic acid","Acta Crystallographica Section E","2005","61","8","o2328","o2329","10.1107/S1600536805020179","","","0.71073","MoKα","","0.0639","0.0556","","","0.148","0.1572","","","","","","1.062","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206612","8.1435","0.0004","11.9365","0.0005","5.4158","0.0003","90","","90","","90","","526.44","0.04","30","","30","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-cysteine","","- C3 H7 N O2 S -","- C3 H7 N O2 S -","- C12 H28 N4 O8 S4 -","4","1","YA6256","Stephen A. Moggach; Stewart J. Clark; Simon Parsons","<small>L</small>-Cysteine-I at 30 K","Acta Crystallographica Section E","2005","61","8","o2739","o2742","10.1107/S1600536805023688","","","0.71073","MoKα","","0.018","0.017","","0.047","0.047","0.047","","","","","","1.027","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206621","6.358","0.002","9.382","0.003","24.646","0.008","90","","90","","90","","1470.2","0.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 4-tert-butoxycarbonyl-N-cyanopiperazine-1-carboximidothioate","","- C12 H20 N4 O2 S -","- C12 H20 N4 O2 S -","- C48 H80 N16 O8 S4 -","4","1","BD6009","Bi-Jian Lan; Peng Guo; Zhen-Guang Zou; Yin-Xiang Lu","Methyl 4-<i>tert</i>-butoxycarbonyl-<i>N</i>-cyanopiperazine-1-carboximidothioate","Acta Crystallographica Section E","2005","61","9","o3022","o3024","10.1107/S1600536805026280","","","0.71073","MoKα","","0.041","0.0336","","","0.0894","0.0975","","","","","","1.093","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206622","10.117","0.005","10.401","0.005","13.934","0.007","90","","90","","90","","1466.2","1.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,4R)-N-[(S)-2-Hydroxy-1-phenylethyl]-7,7-dimethyl-2- oxobicyclo[2.2.1]heptane-1-carboxamide","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","BH6013","Cai, Yi-Min; Fang, Hua; Zeng, Qing-Le; Zhao, Yu-Fen","(1<i>S</i>,4<i>R</i>)-<i>N</i>-[(<i>S</i>)-2-Hydroxy-1-phenylethyl]-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide","Acta Crystallographica Section E","2005","61","9","o2833","o2835","10.1107/S1600536805024724","","","0.71073","Mo-Kα","","0.0449","0.0394","","","0.1109","0.1164","","","","","","1.233","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2206625","6.7467","0.0011","14.609","0.002","17.785","0.003","90","","90","","90","","1752.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(4-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2- dihydropyrazol-3-one","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C76 H76 N12 O12 -","4","1","BH6020","Wen, Puhong","4-[(4-Hydroxy-3-methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one","Acta Crystallographica Section E","2005","61","9","o2918","o2920","10.1107/S1600536805025559","","","0.71073","MoKα","","0.0642","0.0395","","","0.0959","0.1076","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206635","6.2396","0.0004","15.4657","0.001","22.332","0.0014","90","","90","","90","","2155","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-fluorophenyl)-3(R)-[3-(4-fluorophenyl)-3(S)-hydroxypropyl]-4(S)- (4-hydroxyphenyl)azetidin-2-one monohydrate","","- C24 H23 F2 N O4 -","- C24 H23 F2 N O4 -","- C96 H92 F8 N4 O16 -","4","1","BT6710","Ravikumar, Krishnan; Sridhar, Balasubramanian","Ezetimibe monohydrate","Acta Crystallographica Section E","2005","61","9","o2907","o2909","10.1107/S1600536805025419","","","0.71073","MoKα","","0.0456","0.0408","","","0.0882","0.0903","","","","","","1.166","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206664","7.819","0.0007","10.5726","0.0009","21.836","0.0019","90","","90","","90","","1805.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ent-kaurane","16β,17-Dihydroxy-ent-kauran-19-oic acid","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","CI6636","Nasir Rasool; Viqar Uddin Ahmad; M. Iqbal Choudhary; Shazia Anjum; Hoong-Kun Fun; Shamsher Ali","16β,17-Dihydroxy-<i>ent</i>-kauran-19-oic acid","Acta Crystallographica Section E","2005","61","9","o3053","o3055","10.1107/S1600536805026528","","","0.71073","MoKα","","0.0332","0.0325","","","0.0863","0.0874","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206672","5.5309","0.001","12.172","0.002","26.121","0.004","90","","90","","90","","1758.5","0.5","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-1-Benzyl-4-[(1R)-2-hydroxy-1-phenylethylamino]-5,6-dihydropyridin-2(1H)-one","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","CV6557","Romero, Nancy; Terán, Joel L.; Gnecco, Dino; Bernès, Sylvain","(‒)-1-Benzyl-4-[(1<i>R</i>)-2-hydroxy-1-phenylethylamino]-5,6-dihydropyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2005","61","9","o2927","o2929","10.1107/S1600536805024141","","","0.71073","MoKα","","0.0596","0.0428","","","0.1054","0.1204","","","","","","1.017","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2206681","6.596","0.003","14.36","0.006","14.549","0.006","90","","90","","90","","1378.1","1","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Diethylamino-3-dimethylamino-2H-1-benzopyran-2-one","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","DN6246","Takahashi, Hajime; Takechi, Haruko; Kubo, Kanji; Matsumoto, Taisuke","7-Diethylamino-3-dimethylamino-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section E","2005","61","9","o3041","o3043","10.1107/S1600536805026607","","","0.7107","MoKα","","","0.0566","","","","0.1625","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206683","10.215","0.005","11.003","0.005","16.761","0.007","90","","90","","90","","1883.9","1.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 12-bromo-13,14-dinitrodeisopropyldehydroabietate","","- C18 H21 Br N2 O6 -","- C18 H21 Br N2 O6 -","- C72 H84 Br4 N8 O24 -","4","1","ER6018","Ying-Ming Pan; Ye Zhang; Heng-Shan Wang; Bi-Hai Tong; Zhen-Feng Chen; Yong Zhang","Methyl 12-bromo-13,14-dinitrodeisopropyldehydroabietate","Acta Crystallographica Section E","2005","61","9","o3003","o3005","10.1107/S1600536805025390","","","0.7107","MoKα","","0.0343","0.0302","","","0.062","0.0637","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206689","5.8044","0.0009","9.5929","0.0015","20.075","0.003","90","","90","","90","","1117.8","0.3","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S*,2S*)-(+)-2-Amino-1-[4-(methylsulfanyl)phenyl]-1,3-propanediol","","- C10 H15 N O2 S -","- C10 H15 N O2 S -","- C40 H60 N4 O8 S4 -","4","1","GH6028","Samas, Brian; Macikenas, Dainius; Blackburn, Anthony C","(1<i>S</i>*,2<i>S</i>*)-(+)-2-Amino-1-[4-(methylsulfanyl)phenyl]propane-1,3-diol","Acta Crystallographica Section E","2005","61","9","o2793","o2794","10.1107/S1600536805024359","","","0.71073","MoKα","","0.0784","0.0556","","","0.1221","0.1327","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206715","6.2505","0.0002","13.3718","0.0004","22.9703","0.0007","90","","90","","90","","1919.87","0.1","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-Butyl-16,17a-dioxo-17-aza-D-homoestra-1,3,5(10)-trien-3-ol","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","HG6235","Hema, R.; Parthasarathi, V.; Ranju Bansal; Linden, Anthony","(8<i>R</i>,9<i>S</i>,13<i>S</i>,14<i>S</i>)-17-Butyl-16,17a-dioxo-17-aza-<i>D</i>-homoestra-1,3,5(10)-trien-3-ol","Acta Crystallographica Section E","2005","61","9","o3095","o3097","10.1107/S1600536805027030","","","0.71073","MoKα","","0.066","0.0466","","","0.1099","0.1219","","","","","","1.085","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2206716","5.9243","0.0001","11.0968","0.0003","30.2328","0.0007","90","","90","","90","","1987.53","0.08","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-Butyl-3-methoxy-17-aza-D-homoestra-1,3,5(10)-triene-16,17a-dione","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","HG6236","Hema, R.; Parthasarathi, V.; Ranju, Bansal; Linden, Anthony","(8<i>R</i>,9<i>S</i>,13<i>S</i>,14<i>S</i>)-17-Butyl-3-methoxy-17-aza-<i>D</i>-homoestra-1,3,5(10)-triene-16,17a-dione","Acta Crystallographica Section E","2005","61","9","o3098","o3100","10.1107/S1600536805027042","","","0.71073","MoKα","","0.0617","0.043","","","0.0984","0.1095","","","","","","1.034","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206718","6.8466","0.0003","15.668","0.0008","13.6328","0.0007","90","","90","","90","","1462.42","0.12","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diethylenetriaminium(3+) hexachlorobismuthate(III)","","- C4 H16 Bi Cl6 N3 -","- C4 H16 Bi Cl6 N3 -","- C16 H64 Bi4 Cl24 N12 -","4","1","HK6030","Fu, Yun-Long; Xu, Zhi-Wei; Ren, Jia-Lin; Ng, Seik Weng","Diethylenetriaminium(3+) hexachlorobismuthate(III)","Acta Crystallographica Section E","2005","61","9","m1717","m1718","10.1107/S1600536805024438","","","0.71073","MoKα","","0.033","0.031","","","0.08","0.081","","","","","","1.02","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206734","8.3391","0.0007","11.1748","0.0015","13.8056","0.0019","90","","90","","90","","1286.5","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-3-hydroxy-6-[(2-methoxyphenylamino)methylene]cyclohexa-2,4-dienone","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","KP6061","S̨ahin, Onur; Albayrak, Çiǧdem; Odabas̨oğlu, Mustafa; Büyükgüngör, Orhan","(Z)-3-Hydroxy-6-[(2-methoxyphenylamino)methylene]cyclohexa-2,4-dienone","Acta Crystallographica Section E","2005","61","9","o2859","o2861","10.1107/S1600536805024189","","","0.71073","MoKα","","0.0987","0.0593","","","0.1707","0.1919","","","","","","0.973","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206744","5.9504","0.0002","14.5676","0.0004","22.0403","0.0008","90","","90","","90","","1910.52","0.11","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4-Anhydro-2-C-benzyloxymethyl-2,3:5,6-di-O-isopropylidene-D-tallitol","","- C20 H28 O6 -","- C20 H28 O6 -","- C80 H112 O24 -","4","1","LH6483","Watkin, David J.; Parry, Loren L.; Soengas, Raquel; Fleet, George W. J.","1,4-Anhydro-2-<i>C</i>-benzyloxymethyl-2,3:5,6-di-<i>O</i>-isopropylidene-<small>D</small>-tallitol","Acta Crystallographica Section E","2005","61","9","o2865","o2867","10.1107/S1600536805025031","","","0.71073","MoKα","","0.0473","0.0473","","0.0747","0.0747","0.0747","","","","","","0.9912","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206746","5.8241","0.0001","8.4972","0.0002","27.1899","0.0007","90","","90","","90","","1345.59","0.05","190","","190","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2:3,4-Di-O-isopropylidene-α-D-tagatofuranose","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","LH6485","David J. Watkin; Andreas F. G. Glawar; Raquel Soengas; Ulla P. Skytte; Mark R. Wormald; Raymond A. Dwek; George W. J. Fleet","1,2:3,4-Di-<i>O</i>-isopropylidene-α-<small>D</small>-tagatofuranose","Acta Crystallographica Section E","2005","61","9","o2891","o2893","10.1107/S1600536805025092","","","0.71073","MoKα","","0.0416","0.0358","","0.087","0.0837","0.087","","","","","","0.97","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206755","7.6816","0.0008","11.8247","0.0015","12.0196","0.0014","90","","90","","90","","1091.8","0.2","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[mppyr][I]","N-methyl-N-propyl-pyrrolidinium iodide","","- C8 H18 I N -","- C8 H18 I N -","- C32 H72 I4 N4 -","4","1","NC6042","Babai, Arash; Mudring, Anja-Verena","<i>N</i>-Methyl-<i>N</i>-propylpyrrolidinium iodide","Acta Crystallographica Section E","2005","61","9","o2913","o2915","10.1107/S1600536805025481","","","0.71073","MoKα","","0.0286","0.0272","","","0.0691","0.0731","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2206765","6.812","0.003","12.082","0.005","22.802","0.003","90","","90","","90","","1876.7","1.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17a-Methyl-4-androstene-3b,17b-diol monohydrate","","- C20 H34 O3 -","- C20 H34 O3 -","- C80 H136 O12 -","4","1","OB6554","Chun-Nian Xia; Wei-Xiao Hu; Wei Zhou","17a-Methyl-4-androstene-3b,17b-diol monohydrate","Acta Crystallographica Section E","2005","61","9","o2896","o2898","10.1107/S1600536805025316","","","0.71073","MoKα","","0.0573","0.0329","","","0.0854","0.0962","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206766","11.725","0.002","20.396","0.003","11.04","0.002","90","","90","","90","","2640.1","0.8","295","","295.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-O-benzyl-3,4-O-dibenzoyl-1-thio-β-L-fucopyranoside","","- C28 H28 O6 S -","- C28 H28 O6 S -","- C112 H112 O24 S4 -","4","1","OB6555","Laurent F. Bornaghi; Nicholas B. Drinnan; Tracie Ramsdale; Peter C. Healy; Alan R. White","Methyl 3,4-<i>O</i>-dibenzoyl-2-<i>O</i>-benzyl-1-thio-β-<small>L</small>-fucopyranoside","Acta Crystallographica Section E","2005","61","9","o2899","o2901","10.1107/S160053680502516X","","","0.7107","MoKα","","0.0932","0.0465","","","0.1209","0.1418","","","","","","1.031","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206807","3.4147","0.0004","6.506","0.0007","17.8263","0.0019","90","","90","","90","","396.03","0.08","296","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cadmium zinc diborate","cadmium zinc diborate","","- B2 Cd1.171 O5 Zn0.829 -","- B2 Cd1.171 O5 Zn0.829 -","- B8 Cd4.684 O20 Zn3.316 -","4","1","WM6073","Yuan, Xin; Wang, Ru-Ji; Shen, De-Zhong; Wang, Xiao-Qing; Shen, Guang-Qiu","Cd~1.17~Zn~0.83~B~2~O~5~, a new cadmium zinc diborate","Acta Crystallographica Section E","2005","61","9","i196","i198","10.1107/S1600536805024608","","","0.71073","MoKα","","0.0319","0.0319","","","0.0793","0.0793","","","","","","1.039","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206830","6.885","0.002","6.969","0.002","27.348","0.009","90","","90","","90","","1312.2","0.7","289","2","289","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","10α-Hydroxy-1-oxoeremophila-7(11),8(9)-dien-12,8-olide","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","AC6170","Wu, Quan-Xiang; Shi, Yan-Ping; Shi, Yan-Ping","10α-Hydroxy-1-oxoeremophila-7(11),8(9)-dien-12,8-olide","Acta Crystallographica Section E","2005","61","10","o3502","o3504","10.1107/S1600536805030795","","","0.71073","MoKα","","0.0596","0.0392","","","0.0791","0.0842","","","","","","0.905","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206855","7.1969","0.0012","7.8499","0.0013","35.797","0.006","90","","90","","90","","2022.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4'-Isobutoxy-biphenyl-4-carboxylic acid 4-cyano-3-fluoro-phenyl ester","","- C24 H20 F N O3 -","- C24 H20 F N O3 -","- C96 H80 F4 N4 O12 -","4","1","BH6035","Ren, Rui; Li, Qiang; Zhang, Shu-Sheng; Li, Xue-Mei","4-Cyano-3-fluorophenyl 4'-isobutoxybiphenyl-4-carboxylate","Acta Crystallographica Section E","2005","61","10","o3472","o3473","10.1107/S1600536805030138","","","0.71073","MoKα","","0.042","0.0377","","","0.094","0.0972","","","","","","1.139","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206870","4.6309","0.0003","5.8963","0.0004","39.939","0.003","90","","90","","90","","1090.54","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{N-[(S)-1-Phenylethyl]carbamoyl}methylaminium chloride","","- C10 H15 Cl N2 O -","- C10 H15 Cl N2 O -","- C40 H60 Cl4 N8 O4 -","4","1","BT6726","Williamson, Craig; Storey, John M. D.; Harrison, William T. A.","{<i>N</i>-[(<i>S</i>)-1-Phenylethyl]carbamoyl}methylaminium chloride","Acta Crystallographica Section E","2005","61","10","o3133","o3135","10.1107/S1600536805027182","","","0.71073","MoKα","","0.0508","0.0417","","","0.1141","0.1274","","","","","","1.143","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206874","8.832","0.004","9.811","0.004","11.089","0.005","90","","90","","90","","960.9","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethylenediaminium tetrachlorozincate","","- C2 H10 Cl4 N2 Zn -","- C2 H10 Cl4 N2 Zn -","- C8 H40 Cl16 N8 Zn4 -","4","1","BT6730","Harrison, William T. A.","Ethylenediaminium tetrachlorozincate","Acta Crystallographica Section E","2005","61","10","m1951","m1952","10.1107/S1600536805027923","","","0.71073","MoKα","","0.0936","0.084","","","0.1968","0.2093","","","","","","1.053","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206880","8.0887","0.0002","12.875","0.0004","23.8205","0.0008","90","","90","","90","","2480.71","0.13","291","1","291","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Epivernadol diacetate","(4aR,5R,6S,7S,8aS)-methyl 8a-ethenyloctahydro-5-acetoxy-7-{[2-(acetoxymethyl)-1-oxo-2-propenyl]oxy}- α,4-bis(methylene)-3-oxo-1H-2-benzopyran-6-acetate","","- C24 H28 O10 -","- C24 H28 O10 -","- C96 H112 O40 -","4","1","BT6736","Koul, Jawahir L.; Koul, Surrinder; Taneja, Subbash C.; Schürmann, Markus; Preut, Hans; Spiteller, Michael","Epivernadol diacetate","Acta Crystallographica Section E","2005","61","10","o3349","o3350","10.1107/S1600536805029387","","","0.71073","MoKα","","0.105","0.0434","","","0.0984","0.1154","","","","","","0.865","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206914","13.0931","0.0005","13.5932","0.0006","15.6098","0.0006","90","","90","","90","","2778.19","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Physalin H","(5R,6S,8S,9R,14R,15R,17R,18S,21S,24R,26S,27R)-5α-Chloro- 16,24-cyclo-13,14-secoergosta-2-ene-18,26-dioic acid-14:17,14:27-diepoxy- 6β,13,20,22-tetrahydroxy-1,15-dioxo-γ-lactone δ-lactone 5α-chloro methanol solvate monohydrate","","- C29 H37 Cl O12 -","- C29 H37 Cl O12 -","- C116 H148 Cl4 O48 -","4","1","CI6649","Sammer Yousuf; M. Iqbal Choudhary; Atta-ur-Rahman; Shazia Anjum; Hoong-Kun Fun; Shamsher Ali","(5<i>R</i>,6<i>S</i>,8<i>S</i>,9<i>R</i>,14<i>R</i>,15<i>R</i>,17<i>R</i>,18<i>S</i>,21<i>S</i>,24<i>R</i>,26<i>S</i>,27<i>R</i>)-5α-Chloro-16,24-cyclo-13,14-secoergost-2-ene-18,26-dioic acid-14:17,14:27-diepoxy-6β,13,20,22-tetrahydroxy-1,15-dioxo-γ-lactone δ-lactone methanol solvate monohydrate","Acta Crystallographica Section E","2005","61","10","o3523","o3525","10.1107/S1600536805030011","","","0.71073","MoKα","","0.0359","0.0348","","","0.0937","0.0949","","","","","","0.847","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2206916","8.3222","0.0012","13.3871","0.0018","15.977","0.002","90","","90","","90","","1780","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl3 N4 Zn -","- C15 H15 Cl3 N4 Zn -","- C60 H60 Cl12 N16 Zn4 -","4","1","CI6651","Wan, Xiang-Jian; Xu, Feng-Bo; Li, Qing-Shan; Song, Hai-Bin; Zhang, Zheng-Zhi","Trichloro[1,3-bis(2-pyridylmethyl)imidazolium]zinc(II)","Acta Crystallographica Section E","2005","61","10","m2174","m2175","10.1107/S1600536805029971","","","0.71073","MoKα","","0.0668","0.0366","","","0.0551","0.0623","","","","","","0.985","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206938","7.268","0.004","11.813","0.001","21.282","0.003","90","","90","","90","","1827.2","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,6-Bis(4-chlorophenyl)-1-isobutyryl-1,4-dihydro-1,2,4,5-tetrazine","","- C18 H16 Cl2 N4 O -","- C18 H16 Cl2 N4 O -","- C72 H64 Cl8 N16 O4 -","4","1","DN6225","Guo-Wu Rao; Wei-Xiao Hu","3,6-Bis(4-chlorophenyl)-1-isobutyryl-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section E","2005","61","10","o3276","o3277","10.1107/S1600536805018519","","","0.71073","MoKα","","0.1658","0.0399","","","0.0879","0.1215","","","","","","0.988","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206956","9.3455","0.0013","12.2596","0.0013","21.3592","0.0019","90","","90","","90","","2447.2","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[tris(1H-benzimidazole-κN^3^)manganese(II)]-μ-maleato- κ^3^O,O':κO'']","","- C25 H20 Mn N6 O4 -","- C25 H20 Mn N6 O4 -","- C100 H80 Mn4 N24 O16 -","4","1","HB6259","Zi-Qiang Hu; Yong Ni; Guo-Qiao Lai","<i>catena</i>-Poly[[tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)manganese(II)]-μ-maleato-κ^2^<i>O</i>,<i>O</i>':κ<i>O</i>'']","Acta Crystallographica Section E","2005","61","10","m1975","m1977","10.1107/S1600536805028333","","","0.71073","MoKα","","0.051","0.038","","","0.09","0.106","","","","","","1.179","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206976","4.7016","0.0006","10.1325","0.0014","26.273","0.003","90","","90","","90","","1251.6","0.3","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-Hexylaminophenol","4-(n-Hexylamino)phenol","","- C12 H19 N O -","- C12 H19 N O -","- C48 H76 N4 O4 -","4","1","HG6242","Herrera, Ana M.; Bernès, Sylvain; López, Delia","4-(Hexylamino)phenol","Acta Crystallographica Section E","2005","61","10","o3210","o3211","10.1107/S1600536805027868","","","0.71073","MoKα","","0.0866","0.0531","","","0.1389","0.1703","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2206992","10.1251","0.0006","11.4082","0.0005","25.4972","0.0015","90","","90","","90","","2945.2","0.3","193","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3aS,4S,4aS,7R,9S,9aS)-Methyl 4-benzyloxy-9-methanesulfonyloxy-2,2-dimethyl-8-oxo- octahydro-1,3-dioxa-5-thia-7a-aza-cyclopenta[f]azulene-7-carboxylate toluene solvate","","- C28 H35 N O9 S2 -","- C28 H35 N O9 S2 -","- C112 H140 N4 O36 S8 -","4","1","IS6126","Hörger, Rolf; Marsch, Michael; Geyer, Armin; Harms, Klaus","(3a<i>S</i>,4<i>S</i>,4a<i>S</i>,7<i>R</i>,9<i>S</i>,9a<i>S</i>)-Methyl 4-benzyloxy-9-methylsulfonyloxy-2,2-dimethyl-8-oxooctahydro-1,3-dioxa-5-thia-7a-azacyclopenta[<i>f</i>]azulene-7-carboxylate toluene solvate","Acta Crystallographica Section E","2005","61","10","o3447","o3448","10.1107/S160053680503031X","","","0.71073","MoKα","","","0.0269","","","","0.0491","","","","","","0.89","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207069","4.939","0.001","16.595","0.003","20.254","0.004","90","","90","","90","","1660.1","0.6","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","5,7-Dibromo-N-tosylquinolin-8-amine","","- C16 H12 Br2 N2 O2 S -","- C16 H12 Br2 N2 O2 S -","- C64 H48 Br8 N8 O8 S4 -","4","1","SU6228","Silva, Luiz Everson da; Joussef, Antonio Carlos; Foro, Sabine; Schmidt, Boris","5,7-Dibromo-<i>N</i>-tosylquinolin-8-amine","Acta Crystallographica Section E","2005","61","10","o3435","o3436","10.1107/S160053680502773X","","","1.5418","CuKα","","0.0466","0.0413","","","0.1052","0.1089","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207087","4.79","0.0009","13.772","0.003","17.158","0.003","90","","90","","90","","1131.9","0.4","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 Br2 N O3 -","- C9 H9 Br2 N O3 -","- C36 H36 Br8 N4 O12 -","4","1","WN6374","Qin, Shuqi; Yin, Guodong; Zhou, Baohan","2,3-Bis(bromomethyl)-1-methoxy-4-nitrobenzene","Acta Crystallographica Section E","2005","61","10","o3257","o3258","10.1107/S1600536805028618","","","0.71073","MoKα","","0.0595","0.0395","","","0.1102","0.133","","","","","","1.126","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207182","5.9561","0.0013","12.043","0.005","16.512","0.006","90","","90","","90","","1184.4","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dimethyl naphthalene-1,8-dicarboxylate","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","CI6664","Lin-Hai Jing; Da-Bin Qin; Long He; Shao-Jin Gu; Huan-Xia Zhang; Gang Lei","Dimethyl naphthalene-1,8-dicarboxylate","Acta Crystallographica Section E","2005","61","11","o3595","o3596","10.1107/S160053680503148X","","","0.71073","MoKα","","0.1304","0.0509","","","0.1224","0.1651","","","","","","1.095","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207187","4.6661","0.0012","15.11","0.004","23.314","0.006","90","","90","","90","","1643.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N'-(2-Hydroxybenzylidene)-2-(quinolin-8-yloxy)acetohydrazide monohydrate","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","CI6671","Shu-Sheng Zhang; Yong-Hong Wen; Mao-Jie Li; Xue-Mei Li","<i>N</i>'-(2-Hydroxybenzylidene)-2-(quinolin-8-yloxy)acetohydrazide monohydrate","Acta Crystallographica Section E","2005","61","11","o3682","o3683","10.1107/S1600536805032356","","","0.71073","MoKα","","0.0971","0.0625","","","0.1274","0.1425","","","","","","1.122","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207193","7.728","0.001","10.127","0.001","20.237","0.002","90","","90","","90","","1583.8","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dichloro{2,4-dichloro-6-[2-(dimethylamino)ethyliminomethyl]phenolato}zinc(II)","","- C11 H14 Cl4 N2 O Zn -","- C11 H14 Cl4 N2 O Zn -","- C44 H56 Cl16 N8 O4 Zn4 -","4","1","CI6681","You, Zhong-Lu","Dichloro{2,4-dichloro-6-[2-(dimethylamino)ethyliminomethyl]phenolato}zinc(II)","Acta Crystallographica Section E","2005","61","11","m2416","m2418","10.1107/S1600536805034744","","","0.71073","MoKα","","0.0621","0.0513","","","0.0937","0.0977","","","","","","1.136","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207212","9.6605","0.0003","21.2825","0.001","22.8491","0.0011","90","","90","","90","","4697.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-(-)-N,α-dimethylbenzylammonium dioxo[7,15,23-tri-tert-butyl-3,11,19-trioxatetracyclo[19.3.1.1^5,9^.1^13,17^] heptacosa-1(25),5,7,9(27),13,15,17(26),21,23-nonaene-25,26,27-triolato]uranium trichloromethane solvate","","- C46 H60 Cl3 N O8 U -","- C46 H60 Cl3 N O8 U -","- C184 H240 Cl12 N4 O32 U4 -","4","1","DN6262","Masci, Bernardo; Thuéry, Pierre","The chloroform-solvated uranyl complex of <i>p</i>-<i>tert</i>-butylhexahomotrioxacalix[3]arene with the chiral counter-ion (<i>S</i>)-(‒)-<i>N</i>,α-dimethylbenzylammonium","Acta Crystallographica Section E","2005","61","11","m2278","m2280","10.1107/S1600536805031867","","","0.71073","MoKα","","0.0389","0.0328","","","0.0632","0.0652","","","","","","1.018","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207225","14.4202","0.0014","7.1619","0.0007","18.5166","0.0018","90","","90","","90","","1912.3","0.3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","12-Methoxy-15-(4-morpholino)podocarpa-8,11,13-trien-15-one","(6-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1- yl)morpholin-4-yl-methanone","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","GH6030","Bakare, Oladapo; John, Nicole; Butcher, Ray J.; Zalkow, Leon H.","12-Methoxy-15-(4-morpholino)podocarpa-8,11,13-trien-15-one","Acta Crystallographica Section E","2005","61","11","o3791","o3793","10.1107/S1600536805033386","","","0.71073","MoKα","","0.0506","0.0419","","","0.1057","0.1111","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207230","8.0109","0.0016","8.7198","0.0017","28.718","0.006","90","","90","","90","","2006.1","0.7","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(1-phenylethyl)-1-ferrocenylbenzylamine","α-Ferrocenyl-N-(1-phenylethyl)benzylamine","","- C25 H25 Fe N -","- C25 H25 Fe N -","- C100 H100 Fe4 N4 -","4","1","HB6275","Yin, Zhi-Gang; Qian, Heng-Yu","α-Ferrocenyl-<i>N</i>-(1-phenylethyl)benzylamine","Acta Crystallographica Section E","2005","61","11","m2351","m2352","10.1107/S1600536805033039","","","0.71073","MoKα","","0.0864","0.0582","","","0.1088","0.1131","","","","","","0.994","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207249","7.4671","0.0017","11.547","0.003","17.445","0.004","90","","90","","90","","1504.2","0.6","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-1-(p-Tolylsulfonyl)proline ethyl ester","","- C14 H19 N O4 S -","- C14 H19 N O4 S -","- C56 H76 N4 O16 S4 -","4","1","HG6251","Chen, Yong-Jiang; Xu, Gang; Cui, Yu-Bo; Huang, Wei; Gou, Shao-Hua","1-(<i>p</i>-Tolylsulfonyl)-<small>L</small>-proline ethyl ester","Acta Crystallographica Section E","2005","61","11","o3571","o3573","10.1107/S1600536805031636","","","0.71073","MoKα","","0.0752","0.0477","","","0.0812","0.088","","","","","","0.907","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207252","10.257","0.002","11.856","0.002","12.892","0.003","90","","90","","90","","1567.8","0.5","297","","297","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Phenyl-3-[(1-phenylethyl)amino]but-2-en-1-one","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","HG6254","Yao-Cheng Shi; Chun-Xia Sui; Hua-Mei Yang","1-Phenyl-3-[(1-phenylethyl)amino]but-2-en-1-one","Acta Crystallographica Section E","2005","61","11","o3574","o3575","10.1107/S1600536805031648","","","0.71073","MoKα","","0.1432","0.0566","","","0.1696","0.212","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207267","6.334","0.0016","12.384","0.003","21.911","0.006","90","","90","","90","","1718.7","0.8","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-17-oxoestra-3,5-dien-3-yl acetate","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","IS6131","Chun-Nian Xia; Wei-Xiao Hu; Wei Zhou","3-Hydroxy-17-oxoestra-3,5-dien-3-yl acetate","Acta Crystallographica Section E","2005","61","11","o3754","o3756","10.1107/S1600536805032812","","","0.71073","MoKα","","0.1359","0.0499","","","0.1632","0.2294","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207277","4.9175","0.0009","12.524","0.002","20.551","0.004","90","","90","","90","","1265.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(4-Bromophenylimino)methyl]-6-methoxyphenol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","KP6060","Zheng, Chun-Sheng; Yang, Nan; Li, Mei; Jing, Zuo-Liang","2-[(4-Bromophenyl)iminomethyl]-6-methoxyphenol","Acta Crystallographica Section E","2005","61","11","o3613","o3614","10.1107/S1600536805031144","","","0.71073","MoKα","","0.0326","0.0278","","","0.0678","0.0698","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207295","10.576","0.002","11.049","0.002","12.907","0.003","90","","90","","90","","1508.2","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N-Dicyclohexyl-2-iodoacetamide","","- C14 H24 I N O -","- C14 H24 I N O -","- C56 H96 I4 N4 O4 -","4","1","LH6518","Cho, Hyeon Mo; Moore, Jeffrey S.; Wilson, Scott R.","<i>N</i>,<i>N</i>-Dicyclohexyl-2-iodoacetamide","Acta Crystallographica Section E","2005","61","11","o3769","o3770","10.1107/S1600536805033064","","","0.71073","MoKα","","0.0299","0.0227","","","0.0473","0.0492","","","","","","1.023","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207300","9.9942","0.0009","10.3822","0.0009","15.8183","0.0014","90","","90","","90","","1641.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,3,4-Tetra-O-acetyl-α-L-fucopyranose","","- C14 H20 O9 -","- C14 H20 O9 -","- C56 H80 O36 -","4","1","LH6523","Alhassan, Abdul-Basit; Norris, Peter; Zeller, Matthias","1,2,3,4-Tetra-<i>O</i>-acetyl-α-<small>L</small>-fucopyranose","Acta Crystallographica Section E","2005","61","11","o3668","o3669","10.1107/S1600536805032228","","","0.71073","MoKα","","0.034","0.0332","","","0.0848","0.0853","","","","","","1.05","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207306","6.1236","0.0009","13.816","0.0018","21.026","0.003","90","","90","","90","","1778.9","0.4","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","8-acetyl-7-hydroxy-3-isopropenyl-10-methylperhydrophenanthren-1-one","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","LH6535","Kooijman, Huub; Sarabèr, Florence C. E.; Groot, Aede de; Spek, Anthony L.","(3<i>R</i>,5<i>S</i>,6<i>S</i>,8<i>R</i>,10<i>S</i>)-8-Acetyl-7-hydroxy-3-isopropenyl-10-methylperhydrophenanthren-1-one","Acta Crystallographica Section E","2005","61","11","o3921","o3922","10.1107/S1600536805034586","","","0.71073","MoKα","","0.0974","0.0463","","","0.0852","0.0988","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207318","11.311","0.009","11.693","0.007","19.417","0.012","90","","90","","90","","2568","3","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-tert-Butoxycarbonyl-O-benzyl-L-threonyl-L-proline trichloroethyl ester","","- C23 H31 Cl3 N2 O6 -","- C23 H31 Cl3 N2 O6 -","- C92 H124 Cl12 N8 O24 -","4","1","OB6568","Oku, Hiroyuki; Kuriyama, Keisuke; Omi, Kazuto; Yamada, Keiichi; Katakai, Ryoichi","<i>O</i>-Benzyl-<i>N</i>-<i>tert</i>-butoxycarbonyl-<small>L</small>-threonyl-<small>L</small>-proline trichloroethyl ester [Boc-<small>L</small>-Thr(Bzl)-<small>L</small>-Pro-OTce]","Acta Crystallographica Section E","2005","61","11","o3867","o3869","10.1107/S1600536805026383","","","1.5418","CuKα","","","0.0628","","","","0.1449","","","","","","0.968","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207369","6.8814","0.0013","11.627","0.002","20.468","0.004","90","","90","","90","","1637.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(4-Methoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","WK6063","Yong-Hong Wen; Mao-Jie Li; Shu-Sheng Zhang; Xue-Mei Li","<i>N</i>-(4-Methoxyphenyl)-2-(quinolin-8-yloxy)acetamide monohydrate","Acta Crystallographica Section E","2005","61","11","o3630","o3631","10.1107/S1600536805031557","","","0.71073","MoKα","","0.0363","0.0324","","","0.081","0.0835","","","","","","1.122","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207415","6.2297","0.0004","12.2538","0.0008","19.3613","0.0013","90","","90","","90","","1477.99","0.17","93.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 I N O2 S -","- C13 H18 I N O2 S -","- C52 H72 I4 N4 O8 S4 -","4","1","AC6213","Kakuda, Hiroko; Shiro, Motoo","(2<i>S</i>)-2-[(1<i>R</i>)-1-Iodoethyl]-1-(4-methylphenylsulfonyl)pyrrolidine","Acta Crystallographica Section E","2005","61","12","o3964","o3965","10.1107/S1600536805035038","","","1.54187","CuKα","","","0.0461","","","","0.081","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207475","7.72","0.001","16.2","0.002","18.058","0.002","90","","90","","90","","2258.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5,5'-Dipropyl-1,1'-bis(2-nitrophenyl)-3,3'-bipyrazole","","- C24 H24 N6 O4 -","- C24 H24 N6 O4 -","- C96 H96 N24 O16 -","4","1","CF6473","Bouabdallah, Ibrahim; Ramdani, Abdelkrim; Zidane, Ismail; Eddike, Driss; Tillard, Monique; Belin, Claude","1,1'-Bis(2-nitrophenyl)-5,5'-dipropyl-3,3'-bipyrazole","Acta Crystallographica Section E","2005","61","12","o4243","o4245","10.1107/S1600536805037785","","","0.71073","MoKα","","0.1289","0.0759","","","0.1085","0.1259","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207499","8.4115","0.0003","9.6525","0.0003","23.3886","0.0008","90","","90","","90","","1898.97","0.11","150","1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S,S)-N,N'-Dicyanoethyl-1,2-(2-hydroxyphenyl)ethylenediamine","3,3'-[1,2-bis(2-hydroxyphenyl)ethane-1,2-diyldiimino]propanenitrile","","- C20 H22 N4 O2 -","- C20 H22 N4 O2 -","- C80 H88 N16 O8 -","4","1","CI6697","Chun, Cindy P.; Kim, Woosung; Kim, Hyunwoo; Chin, Jik; Lough, Alan J.","(<i>S</i>,<i>S</i>)-<i>N</i>,<i>N</i>'-Dicyanoethyl-1,2-(2-hydroxyphenyl)ethylenediamine","Acta Crystallographica Section E","2005","61","12","o4328","o4330","10.1107/S1600536805037876","","","0.71073","MoKα","","0.0607","0.0391","","","0.0864","0.0959","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207515","8.4871","0.0008","12.9037","0.0012","18.2256","0.0017","90","","90","","90","","1996","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Matrinium Tetrachloroferrate","","- C15 H25 Cl4 Fe N2 O -","- C15 H25 Cl4 Fe N2 O -","- C60 H100 Cl16 Fe4 N8 O4 -","4","1","DN6265","Zhi-Min Jin; Zu-Guang Li; Li Li; Mei-Chao Li; Mao-Lin Hu","Matrinium tetrachloroferrate(III)","Acta Crystallographica Section E","2005","61","12","m2466","m2468","10.1107/S1600536805035075","","","0.71073","MoKα","","0.0639","0.0544","","","0.1197","0.1228","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207517","11.2682","0.0007","14.1695","0.0009","16.0841","0.001","90","","90","","90","","2568.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,5R,6S,7S,10S,11R,15S,18R,19R)-5,10,19-triacetoxy-12,12- dimethyl-2-methylene-9,16-dioxapentacyclo [14.2.1.0^6,18^.0^7,11^.0^7,15^]nonadecane-1,17-dione","","- C26 H32 O10 -","- C26 H32 O10 -","- C104 H128 O40 -","4","1","DN6269","Shi, Hao","(3<i>S</i>,5<i>R</i>,6<i>S</i>,7<i>S</i>,10<i>S</i>,11<i>R</i>,15<i>S</i>,18<i>R</i>,19<i>R</i>)-12,12-Dimethyl-2-methylene-1,17-dioxo-9,16-dioxapentacyclo[14.2.1.0^6,18^.0^7,11^.0^7,15^]nonadeca-5,10,19-triyl triacetate","Acta Crystallographica Section E","2005","61","12","o3966","o3967","10.1107/S1600536805035099","","","0.71073","MoKα","","0.0648","0.0455","","","0.1033","0.1105","","","","","","0.963","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207523","7.3595","0.0008","9.2465","0.0014","20.323","0.003","90","","90","","90","","1383","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-(+)-2,3-Methylenedioxy-8-oxoberbine","(R)-(+)-5,6,13,13a-tetrahydro-2,3-methylenedioxy-8H- dibenzo[a,g]quinolizin-8-one","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","DN6276","Gzella, Andrzej; Chrzanowska, Maria; Dreas, Agnieszka","(<i>R</i>)-(+)-2,3-Methylenedioxy-8-oxoberbine","Acta Crystallographica Section E","2005","61","12","o4165","o4166","10.1107/S1600536805037244","","","1.54178","CuKα","","0.035","0.0312","","","0.0842","0.0868","","","","","","1.049","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207534","7.4654","0.0002","9.9907","0.0003","20.3404","0.0005","90","","90","","90","","1517.08","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-α-methylbenzylammonium (R)-2-carboxymethyl-5-oxofuran-2-carboxylate","","- C15 H19 N O6 -","- C15 H19 N O6 -","- C60 H76 N4 O24 -","4","1","FL6200","Jia, Yun-Hua; Palmer, David R. J.; Quail, J. Wilson","The mono-(<i>S</i>)-α-methylbenzylammonium salt of (<i>R</i>)-homocitric lactone","Acta Crystallographica Section E","2005","61","12","o4034","o4036","10.1107/S1600536805034240","","","0.71073","MoKα","","0.0564","0.0417","","","0.0896","0.0972","","","","","","1.1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207549","6.6435","0.0008","8.596","0.001","19.135","0.002","90","","90","","90","","1092.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cyclohexylammonium dichloroacetate","","- C8 H15 Cl2 N O2 -","- C8 H15 Cl2 N O2 -","- C32 H60 Cl8 N4 O8 -","4","1","HG6248","Jian-Ping Wang; Xi-Xing Cheng; Jian-Ge Wang; Qing-Hua Chen","Cyclohexylammonium dichloroacetate","Acta Crystallographica Section E","2005","61","12","o4006","o4007","10.1107/S1600536805035324","","","0.71073","MoKα","","0.0328","0.0298","","","0.0766","0.0784","","","","","","1.076","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207555","7.3401","0.0015","11.688","0.002","19.841","0.004","90","","90","","90","","1702.2","0.6","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","alpha-Ferrocenyl-N-(1-phenylethyl)ethylamine","1-Ferrocenyl-N-(1-phenylethyl)ethylamine","","- C20 H23 Fe N -","- C20 H23 Fe N -","- C80 H92 Fe4 N4 -","4","1","HG6265","Qian, Heng-Yu; Cui, Xiu-Ling; Yin, Zhi-Gang","1-Ferrocenyl-<i>N</i>-(1-phenylethyl)ethylamine","Acta Crystallographica Section E","2005","61","12","m2641","m2642","10.1107/S1600536805037414","","","0.71073","MoKα","","0.0719","0.056","","","0.1233","0.1271","","","","","","1.013","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207570","5.0364","0.0013","16.716","0.004","23.04","0.006","90","","90","","90","","1939.7","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[3-(4-Methoxybenzoyl)thiouredo]-3-phenylpropionic acid methanol solvate","","- C19 H22 N2 O5 S -","- C19 H22 N2 O5 S -","- C76 H88 N8 O20 S4 -","4","1","IS6142","Ngah, Nurziana; Jusoh, Asmizar; Yamin, Bohari M.","2-[3-(4-Methoxybenzoyl)thioureido]-3-phenylpropionic acid methanol solvate","Acta Crystallographica Section E","2005","61","12","o4307","o4309","10.1107/S1600536805035427","","","0.71073","MoKα","","0.092","0.079","","","0.133","0.137","","","","","","1.33","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207589","5.8324","0.0004","9.1911","0.0006","23.042","0.002","90","","90","","90","","1235.19","0.16","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-2-[(2-morpholinoethylimino)methyl]phenol","","- C13 H18 N2 O2 -","- C13 H18 N2 O2 -","- C52 H72 N8 O8 -","4","1","LH6532","Petek, Hande; Albayrak, Çiğdem; Nazan Ocak İskeleli; Ağar, Erbil; Şenel, İsmet","(<i>E</i>)-2-[(2-Morpholinoethylimino)methyl]phenol","Acta Crystallographica Section E","2005","61","12","o3990","o3991","10.1107/S1600536805034847","","","0.71073","MoKα","","0.0346","0.0323","","","0.0842","0.0853","","","","","","1.122","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207606","6.002","0.003","8.822","0.005","29.339","0.015","90","","90","","90","","1553.5","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4F","1,1-dibenzoyl-3,3-dimethylurea","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","NC6050","Blewett, Gavin; Esterhuysen, Catharine; Bredenkamp, Martin W.; Koch, Klaus R.","1,1-Dibenzoyl-3,3-dimethylurea","Acta Crystallographica Section E","2005","61","12","o4042","o4044","10.1107/S1600536805035786","","","0.71073","MoKα","","0.0624","0.0483","","","0.0998","0.1052","","","","","","1.151","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207653","9.2973","0.0006","13.206","0.0009","19.0372","0.0013","90","","90","","90","","2337.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Maleopimaric anhydride ethyl ester","","- C26 H36 O5 -","- C26 H36 O5 -","- C104 H144 O20 -","4","1","SJ6161","Yong-Hong Li; Tian-Rui Ren; Jian-Ping Guo; Jian-Cheng Liu","Maleopimaric anhydride ethyl ester","Acta Crystallographica Section E","2005","61","12","o4305","o4306","10.1107/S1600536805038390","","","0.71073","MoKα","","0.0727","0.0701","","","0.155","0.1562","","","","","","1.284","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207671","7.3551","0.0019","9.2458","0.0012","20.332","0.003","90","","90","","90","","1382.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-(-)-2,3-methylenedioxy-8-oxoberbine","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","TK6277","Gzella, Andrzej; Chrzanowska, Maria; Dreas, Agnieszka","(<i>S</i>)-(‒)-2,3-Methylenedioxy-8-oxoberbine","Acta Crystallographica Section E","2005","61","12","o4001","o4003","10.1107/S1600536805035609","","","1.54178","CuKα","","0.04","0.031","","","0.08","0.085","","","","","","1.07","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207723","9.196","0.003","10.928","0.003","14.244","0.004","90","","90","","90","","1431.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-Methyl 2-(4,5-dibromo-1H-pyrrole-2-carboxamido)-3-methylbutanoate","","- C11 H14 Br2 N2 O3 -","- C11 H14 Br2 N2 O3 -","- C44 H56 Br8 N8 O12 -","4","1","BD6020","Xiang-Chao Zeng","(<i>S</i>)-Methyl 2-(4,5-dibromo-1<i>H</i>-pyrrole-2-carboxamido)-3-methylbutanoate","Acta Crystallographica Section E","2006","62","1","o288","o289","10.1107/S1600536805040547","","","0.71073","MoKα","","0.0486","0.0326","","","0.0689","0.0747","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207736","5.4778","0.0007","11.0701","0.0013","18.2529","0.0015","90","","90","","90","","1106.9","0.2","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Isopropyl 2,5-anhydro-6-azido-3,6-dideoxy-D-xylo-hexonate","","- C9 H15 N3 O4 -","- C9 H15 N3 O4 -","- C36 H60 N12 O16 -","4","1","CF6481","Watkin, David J.; Watterson, Mark; Tranter, George E.; Edwards, Alison A.; Fleet, George W. J.","Isopropyl 2,5-anhydro-6-azido-3,6-dideoxy-<small>D</small>-<i>xylo</i>-hexonate","Acta Crystallographica Section E","2006","62","1","o363","o365","10.1107/S1600536805042133","","","1.5418","CuKα","","0.0397","0.0396","","0.1042","0.1042","0.1042","","","","","","0.9438","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207743","8.1881","0.0019","12.713","0.003","14.239","0.003","90","","90","","90","","1482.2","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-(4'-methyl)-phenyl-5-(3'-indolyl)-isoxazoline","5-(1H-Indol-3-yl)-3-(4-methylphenyl)-4,5-dihydroisoxazoline","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","CI6710","Xiaohe Guo; Xiouxiang Qi; Junbiao Chang","5-(1<i>H</i>-Indol-3-yl)-3-(4-methylphenyl)-4,5-dihydroisoxazoline","Acta Crystallographica Section E","2006","62","1","o374","o375","10.1107/S1600536805040092","","","0.71073","MoKα","","0.0808","0.039","","","0.0764","0.0926","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207749","9.961","0.004","10.677","0.005","14.073","0.005","90","","90","","90","","1496.7","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(Anthracen-9-yl)-3H-isobenzofuran-1-one","","- C22 H14 O2 -","- C22 H14 O2 -","- C88 H56 O8 -","4","1","CI6718","K. Palani; P. Amaladass; A. K. Mohanakrishnan; M. N. Ponnuswamy","3-(Anthracen-9-yl)-3<i>H</i>-isobenzofuran-1-one","Acta Crystallographica Section E","2006","62","1","o55","o57","10.1107/S1600536805039553","","","0.71073","MoKα","","0.1025","0.0488","","","0.1053","0.1249","","","","","","1.059","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2207758","7.2541","0.001","14.0943","0.0014","14.3507","0.0015","90","","90","","90","","1467.2","0.3","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","codeinone","4,5α-epoxy-3-methoxy-17-methylmorphin-7-ene-6-one","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","CV6610","Tsonko Kolev; Rumyana Bakalska; Boris Shivachev; Rosica Petrova","Codeinone","Acta Crystallographica Section E","2006","62","1","o255","o257","10.1107/S1600536805039231","","","0.71073","MoKα","","0.1714","0.0604","","","0.0913","0.1182","","","","","","1.016","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207824","6.7341","0.0009","8.9533","0.0012","24.003","0.003","90","","90","","90","","1447.2","0.3","100","0.1","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Formylpyridine N-(4)-phenylethylthiosemicarbazone","N-Benzyl-2-(2-pyridylethylene)-1-hydrazinecarbothioamide","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C60 H64 N16 S4 -","4","1","LH6546","Hoong-Kun Fun; Suchada Chantrapromma; P. F. Raphel; V. Suni; Maliyeckal R. Prathapachandra Kurup","Pyridine-2-carbaldehyde <i>N</i>^4^-phenethylthiosemicarbazone","Acta Crystallographica Section E","2006","62","1","o125","o127","10.1107/S1600536805039966","","","0.71073","MoKα","","0.036","0.0318","","","0.074","0.0769","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207842","7.742","0.002","12.348","0.003","19.405","0.003","90","","90","","90","","1855.1","0.7","100","2","94","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2R)-N-{3-[Bis(methylsulfanyl)methylene]aminopropionoyl}bornane-10,2-sultam","","- C16 H26 N2 O3 S3 -","- C16 H26 N2 O3 S3 -","- C64 H104 N8 O12 S12 -","4","1","OB6594","Dagmara Woźniak; Aneta Szymańska; Artur Sikorski; Antoni Konitz; Tadeusz Lis","(2<i>R</i>)-<i>N</i>-{3-[Bis(methylsulfanyl)methyleneamino]propionoyl}bornane-10,2-sultam","Acta Crystallographica Section E","2006","62","1","o295","o297","10.1107/S1600536805041541","","","0.71073","MoKα","","0.0259","0.0248","","","0.0617","0.0623","","","","","","1.083","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207846","7.474","0.0004","7.3532","0.0004","28.8604","0.0016","90","","90","","90","","1586.1","0.15","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Co(Sbcmle)(en)]H2O","[N,N-Bis(carboxymethyl)-L-leucinato](1,2-ethanediamine)cobalt(III) monohydrate","","- C12 H24 Co N3 O7 -","- C12 H24 Co N3 O7 -","- C48 H96 Co4 N12 O28 -","4","1","OB6598","Kato, Takashi; Fujii, Tatsuya; Ozawa, Tomohiro; Funahashi, Yasuhiro; Masuda, Hideki","[<i>N</i>,<i>N</i>-Bis(carboxymethyl)-<small>L</small>-leucinato](1,2-ethanediamine)cobalt(III) monohydrate","Acta Crystallographica Section E","2006","62","1","m92","m94","10.1107/S1600536805040407","","","0.7107","MoKα","","","0.0248","","","","0.0517","","","","","","1.017","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207878","4.65","0.001","6.457","0.001","22.386","0.004","90","","90","","90","","672.1","0.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylpyrroledicarbaldehyde","1-Methylpyrrole-2,5-dicarbaldehyde","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","SG6051","Dieltiens, Pieter E.M.; Vande Velde, Christophe M.L.; Geise, Herman J.; Blockhuys, Frank","1-Methylpyrrole-2,5-dicarbaldehyde","Acta Crystallographica Section E","2006","62","1","o347","o349","10.1107/S1600536805042431","","","0.71073","MoKα","","0.0481","0.0375","","","0.0996","0.1071","","","","","","1.003","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207882","5.6074","0.0014","13.943","0.003","20.124","0.005","90","","90","","90","","1573.4","0.6","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-(4-Ethylbenzyl)-9H-carbazole","","- C21 H19 N -","- C21 H19 N -","- C84 H76 N4 -","4","1","SJ6166","Wang, Lei; Li, Jiang-Sheng; Zhao, Guang-Le; Huang, Peng-Mian; Zeng, Tao","9-(4-Ethylbenzyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","1","o138","o139","10.1107/S1600536805040195","","","0.71073","MoKα","","0.1107","0.0446","","","0.1023","0.129","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207892","7.5445","0.0011","8.6792","0.0013","31.229","0.005","90","","90","","90","","2044.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2,3,4,6-Tetra-O-acetyl-β-D-galactopyranosyl)thiosemicarbazide","","- C15 H23 N3 O9 S -","- C15 H23 N3 O9 S -","- C60 H92 N12 O36 S4 -","4","1","SJ6177","Bo Yang; Hui-Xiang Li; Shu-Sheng Zhang; Xue-Mei Li","4-(2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosyl)thiosemicarbazide","Acta Crystallographica Section E","2006","62","1","o121","o122","10.1107/S1600536805040365","","","0.71073","MoKα","","0.0563","0.0465","","","0.12","0.127","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2207916","9.006","0.003","15.324","0.006","25.424","0.011","90","","90","","90","","3509","2","88","2","88","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1D-1,2-diazido-1,2-dideoxy-3,4,5,6-tetra-O-benzyl-myo-inositol diethyl ether 0.6-solvate","","- C39.412 H34 N6 O4 -","- C39.412 H34 N6 O4 -","- C157.648 H136 N24 O16 -","4","1","TK6297","Gainsford, Graeme J.; Lensink, Cornelis; Falshaw, Andrew; Mee, Simon P.H.","Non-classical hydrogen bonding involving bound diazides in an inositol derivative","Acta Crystallographica Section E","2006","62","1","o303","o305","10.1107/S1600536805041486","","","0.71073","MoKα","","0.33","0.053","","","0.08","0.127","","","","","","0.77","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2207938","5.6128","0.001","13.627","0.003","19.442","0.004","90","","90","","90","","1487","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-(4-Methylbenzyl)-9H-carbazole","","- C20 H17 N -","- C20 H17 N -","- C80 H68 N4 -","4","1","WW6463","Cui Jian-Lan; Huang, Peng-Mian; Guo, Wen-Long","9-(4-Methylbenzyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","1","o94","o95","10.1107/S1600536805040201","","","0.71073","MoKα","","0.0617","0.037","","","0.0806","0.0912","","","","","","1.053","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207953","5.8425","0.0002","9.9252","0.0003","21.3739","0.0007","90","","90","","90","","1239.43","0.07","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(4-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","AC6226","Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(4-Methoxybenzylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2006","62","2","o396","o397","10.1107/S1600536805042637","","","0.71073","MoKα","","0.0543","0.0344","","","0.0695","0.0766","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207958","4.3287","0.0006","14.224","0.002","14.515","0.002","90","","90","","90","","893.7","0.2","161","2","161","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,3,5-triiodobenzene","","- C6 H3 I3 -","- C6 H3 I3 -","- C24 H12 I12 -","4","1","AT6069","Margraf, Dominik; Bats, Jan W.","1,3,5-Triiodobenzene","Acta Crystallographica Section E","2006","62","2","o502","o504","10.1107/S1600536805042406","","","0.71073","MoKα","","0.0237","0.0217","","","0.0483","0.0488","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207960","6.2089","0.0004","14.6385","0.0013","18.5957","0.0012","90","","90","","90","","1690.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-Butyl N-(2-bromocyclohex-2-enyl)-N-(2-furylmethyl)carbamate","","- C16 H22 Br N O3 -","- C16 H22 Br N O3 -","- C64 H88 Br4 N4 O12 -","4","1","AT6071","Koşar, Başak; Demircan, Aydın; Karaarslan, Muhsin; Büyükgüngör, Orhan","<i>tert</i>-Butyl <i>N</i>-(2-bromocyclohex-2-enyl)-<i>N</i>-(2-furylmethyl)carbamate","Acta Crystallographica Section E","2006","62","2","o765","o767","10.1107/S1600536806002224","","","0.71073","MoKα","","0.0836","0.0706","","","0.172","0.1795","","","","","","1.129","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207970","5.5571","0.001","13.675","0.003","19.357","0.004","90","","90","","90","","1471","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(4-Chloro-benzyl)-9H-carbazole","9-(4-Chloro-benzyl)-9H-carbazole","","- C19 H14 Cl N -","- C19 H14 Cl N -","- C76 H56 Cl4 N4 -","4","1","BH6058","Cui, Jian-Lan; Huang, Peng-Mian; Guo, Wen-Long","9-(4-Chlorobenzyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2006","62","2","o500","o501","10.1107/S1600536806000249","","","0.71073","MoKα","","0.0794","0.0384","","","0.0713","0.083","","","","","","0.987","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207973","7.355","0.001","11.6182","0.0015","13.6335","0.0017","90","","90","","90","","1165","0.3","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(E)-(3,5-dimethylisoxazol-4-yl)diazenyl]benzoic acid","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","BT6785","Alvarez-Thon, Luis; Bustos, Carlos; Schott, Eduardo; Sanchez, Christian; Ibañez, Andres","Double π‒π stacking in 2-[(<i>E</i>)-(3,5-dimethylisoxazol-4-yl)diazenyl]benzoic acid","Acta Crystallographica Section E","2006","62","2","o595","o597","10.1107/S1600536806000985","","","0.71073","MoKα","","0.0872","0.0434","","","0.0671","0.0738","","","","","","0.908","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207976","8.0465","0.0004","14.5972","0.0007","23.7454","0.0014","90","","90","","90","","2789","0.3","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Triamcinolonacetate","16α,21-diacetoxy-9α-fluoro-11β,17α-dihydroxy-1,4-pregnadiene-3,20-dione chloroform solvate","","- C26 H32 Cl3 F O8 -","- C26 H32 Cl3 F O8 -","- C104 H128 Cl12 F4 O32 -","4","1","BT6799","Suitchmezian, Viktor; Jeß, Inke; Näther, Christian","Triamcinolone diacetate chloroform solvate","Acta Crystallographica Section E","2006","62","2","o788","o790","10.1107/S1600536806001711","","","0.71073","MoKα","","0.0729","0.0469","","","0.1052","0.1216","","","","","","1.032","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2207991","7.289","0.006","7.396","0.007","32.66","0.03","90","","90","","90","","1761","3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(1S-cis)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthy]methylammonium chloride","","- C17 H18 Cl3 N -","- C17 H18 Cl3 N -","- C68 H72 Cl12 N4 -","4","1","CF6484","K. Ravikumar; B. Sridhar; M. N. Bhanu","Sertraline hydrochloride form II","Acta Crystallographica Section E","2006","62","2","o565","o567","10.1107/S1600536806000730","","","0.71073","MoKα","","0.0516","0.045","","","0.1065","0.1185","","","","","","1.137","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2207997","7.18471","0.00011","11.04142","0.00015","32.6727","0.0005","90","","90","","90","","2591.91","0.07","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Pentafluorophenyl (3R,4R,5R)-5-{[(3R,4R,5R)-5-azidomethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran- 3-carbonylamino]methyl}-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carboxylate","","- C22 H25 F5 N4 O9 -","- C22 H25 F5 N4 O9 -","- C88 H100 F20 N16 O36 -","4","1","CI2001","Punzo, Francesco; Cowley, Andrew R.; Watkin, David J.; Iezzi Simone, Michela; Edwards, Alison A.; Tranter, George E.; Fleet, George W. J.","Pentafluorophenyl (3<i>R</i>,4<i>R</i>,5<i>R</i>)-5-{[(3<i>R</i>,4<i>R</i>,5<i>R</i>)-5-azidomethyl-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carbonylamino]methyl}-3,4-dimethoxy-2,3,4,5-tetrahydrofuran-3-carboxylate","Acta Crystallographica Section E","2006","62","2","o473","o475","10.1107/S1600536805043205","","","1.54248","CuKα","","0.0454","0.0357","","0.0808","0.0783","0.0808","","","","","","0.9185","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208001","8.304","0.0017","10.783","0.002","11.699","0.002","90","","90","","90","","1047.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-n-butylpyridinium bromide","N-n-butylpyridinium bromide","","- C9 H14 Br N -","- C9 H14 Br N -","- C36 H56 Br4 N4 -","4","1","CI6733","Ji, Jin-Xiu; Xu, Bin; Liu, Shan; Wang, Jin-Tang","<i>N</i>-<i>n</i>-Butylpyridinium bromide","Acta Crystallographica Section E","2006","62","2","o516","o517","10.1107/S1600536806000353","","","0.71073","MoKα","","0.1158","0.0465","","","0.1077","0.1384","","","","","","0.949","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208012","9.1528","0.0002","10.344","0.0002","22.0663","0.0004","90","","90","","90","","2089.16","0.07","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","14-Deoxy-11,12-didehydro-3,19-isopropyledineandrographolide","(E)-3-[2-(3,3,6a,10b-tetramethyl-8-methyleneperhydronaphtho[2,1-d][1,3]dioxin- 7-yl)vinyl]furan-2(5H)-one","","- C23 H32 O4 -","- C23 H32 O4 -","- C92 H128 O16 -","4","1","CI6746","Jeannie Bee-Jan Teh; Sreenivasa Rao Sagineedu; Hoong-Kun Fun; Ibrahim Abdul Razak; Nordin Hj Lajis; Johnson Stanslas","14-Deoxy-11,12-didehydro-3,19-isopropylideneandrographolide","Acta Crystallographica Section E","2006","62","2","o589","o591","10.1107/S1600536806000699","","","0.71073","MoKα","","0.0816","0.0431","","","0.0912","0.1066","","","","","","1.013","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208014","7.6735","0.0001","11.7744","0.0002","26.4742","0.0005","90","","90","","90","","2391.97","0.07","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-3-{2-[3-(2-bromophenyl)-6a,10b-dimethyl-8- methyleneperhydronaphtho[2,1-d][1,3]dioxin-7-yl]ethylidene}-4-hydroxy- 4,5-dihydrofuran-2(3H)-one","","- C27 H33 Br O5 -","- C27 H33 Br O5 -","- C108 H132 Br4 O20 -","4","1","CI6748","Shea-Lin Ng; Sreenivasa Rao Sagineedu; Ibrahim Abdul Razak; Hoong-Kun Fun; Srinivasa Rao Jada; Johnson Stanslas","3,19-(2-Bromobenzylidene)andrographolide","Acta Crystallographica Section E","2006","62","2","o592","o594","10.1107/S1600536806000705","","","0.71073","MoKα","","0.1673","0.0485","","","0.0833","0.1087","","","","","","0.926","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208041","10.4017","0.0008","18.1543","0.0014","20.9916","0.0014","90","","90","","90","","3964","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[(diethyl ether-κO)lithium(I)]-μ-1,1,3,3- tetraisopropyltriphosphane-κP^2^:κ^2^P^1^,P^3^-lithium(I)-μ-1,1,3,3- tetraisopropyltriphosphane-κ^2^P^1^,P^3^:κP^2^]","","- C28 H66 Li2 O P6 -","- C28 H66 Li2 O P6 -","- C112 H264 Li8 O4 P24 -","4","1","DN3002","Wioleta Domanska; Jaroslaw Chojnacki; Jerzy Pikies","<i>catena</i>-Poly[[(diethyl ether-κ<i>O</i>)lithium(I)]-μ-1,1,3,3-tetraisopropyltriphosphane-κ<i>P</i>^2^:κ^2^<i>P</i>^1^,<i>P</i>^3^-lithium(I)-μ-1,1,3,3-tetraisopropyltriphosphane-κ^2^<i>P</i>^1^,<i>P</i>^3^:κ<i>P</i>^2^]","Acta Crystallographica Section E","2006","62","2","m233","m234","10.1107/S1600536805043163","","","0.71073","MoKα","","0.069","0.0587","","","0.1188","0.1239","","","","","","1.073","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208045","12.1766","0.0002","12.5948","0.0002","15.4676","0.0003","90","","90","","90","","2372.14","0.07","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10-methyl-8,9,10,11,11a,12-hexahydro5H,7H-isoquinolino[3,2-g][1,3,5]triazepine- 7,11-dione","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C104 H120 N24 O16 -","8","2","DN6287","Lena, Gersande; Wenger, Emmanuel; Guichard, Gilles; Didierjean, Claude","10-Methyl-8,9,10,11,11a,12-hexahydro-5<i>H</i>,7<i>H</i>-isoquinolino[3,2-<i>g</i>][1,3,5]triazepine-7,11-dione","Acta Crystallographica Section E","2006","62","2","o518","o520","10.1107/S1600536805043096","","","0.71073","MoKα","","","0.0449","","","","0.1174","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208051","6.3241","0.0009","7.415","0.004","19.243","0.006","90","","90","","90","","902.4","0.6","268","2","268","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(pyridine N-oxide-κO)cadmium(II)]-di-μ-chloro]","","- C5 H7 Cd Cl2 N O2 -","- C5 H7 Cd Cl2 N O2 -","- C20 H28 Cd4 Cl8 N4 O8 -","4","1","DN6298","Englert, Ulli; Schiffers, Stefanie","<i>catena</i>-Poly[[aqua(pyridine <i>N</i>-oxide-κ<i>O</i>)cadmium(II)]-di-μ-chloro]","Acta Crystallographica Section E","2006","62","2","m295","m296","10.1107/S1600536806001097","","","0.71073","MoKα","","0.058","0.0487","","","0.1494","0.1674","","","","","","1.119","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208057","7.366","0.005","11.372","0.005","23.02","0.005","90","","90","","90","","1928.3","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3aR,5S,7S,7aS)-5-{[tert-Butyl(dimethyl)silyloxy]methyl}-7-ethoxy-3-methyl- 7,7a-dihydro-3aH-pyrano[4,3-d]isoxazol-4(5H)-one","","- C16 H29 N O5 Si -","- C16 H29 N O5 Si -","- C64 H116 N4 O20 Si4 -","4","1","FL6197","Cottier, Louis; Srivastava, Rajendra M.; Sinou, Denis; Freitas Filho, Joao R.; Jeanneau, Erwann","(3a<i>R</i>,5<i>R</i>,7<i>S</i>,7a<i>S</i>)-5-[(<i>tert</i>-Butyldimethylsilyloxy)methyl]-7-ethoxy-3-methyl-7,7a-dihydro-3a<i>H</i>-pyrano[4,3-<i>d</i>]isoxazol-4(5<i>H</i>)-one","Acta Crystallographica Section E","2006","62","2","o540","o541","10.1107/S1600536805034392","","","0.71069","MoKα","","0.0749","0.0463","","","0.0475","0.0475","","","","","","1.0566","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208078","11.5961","0.0004","19.9913","0.0005","23.2143","0.0006","90","","90","","90","","5381.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(C)-(2,4-Di-tert-butyl-6-{[(2S)-3,3-dimethyl-1-oxido-2- butyl]iminomethyl}phenolato)ethanol-cis-dioxomolybdenum(VI)","","- C23 H38 Mo N O5 -","- C23 H38 Mo N O5 -","- C184 H304 Mo8 N8 O40 -","8","2","HG6292","Hartung, Jens; Greb, Marco; Svoboda, Ingrid; Fuess, Hartmut","(<i>C</i>)-(2,4-Di-<i>tert</i>-butyl-6-{[(2<i>S</i>)-3,3-dimethyl-1-oxido-2-butyl]iminomethyl}phenolato)ethanol-<i>cis</i>-dioxomolybdenum(VI) at 100 K","Acta Crystallographica Section E","2006","62","2","m275","m277","10.1107/S1600536806000146","","","0.71073","MoKα","","0.0357","0.0331","","","0.08","0.081","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208084","6.3486","0.0005","8.9324","0.0005","26.1484","0.0019","90","","90","","90","","1482.83","0.18","193","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1aS,1bS,4aR,4bR,7aS,10R)-Methyl 1a,1b,4a,4b,7a,10,11-octahydro-8-oxo-bis(2- methyl-1,3-oxazino)[6,5,4-cd][4,5,6-de]thiazolo[3,2-a]azepine-3-carboxylate","","- C14 H17 N3 O5 S -","- C14 H17 N3 O5 S -","- C56 H68 N12 O20 S4 -","4","1","HK6070","Hörger, Rolf; Marsch, Michael; Geyer, Armin; Harms, Klaus","(1a<i>S</i>,1b<i>S</i>,4a<i>R</i>,4b<i>R</i>,7a<i>S</i>,10<i>R</i>)-Methyl 1a,1b,4a,4b,7a,8,10,11-octahydro-8-oxo-bis(2-methyl-1,3-oxazino)[6,5,4-<i>cd</i>][4,5,6-<i>de</i>]thiazolo[3,2-<i>a</i>]azepine-10-carboxylate","Acta Crystallographica Section E","2006","62","2","o846","o847","10.1107/S1600536806002534","","","0.71073","MoKα","","","0.0219","","","","0.0517","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208101","6.82","0.0012","6.9277","0.0012","27.431","0.005","90","","90","","90","","1296","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-Deacetylhexahydromycoepoxydiene","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","JH6022","Chen, Hai-Yan; Lin, Yong-Cheng; L. L. P. Vrijmoed; E. B. Gareth Jones","(+)-Deacetylhexahydromycoepoxydiene","Acta Crystallographica Section E","2006","62","2","o836","o837","10.1107/S1600536806001723","","","0.71073","MoKα","","0.048","0.0363","","","0.0897","0.0974","","","","","","1.028","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208104","7.4504","0.0011","12.746","0.002","28.639","0.006","90","","90","","90","","2719.6","0.8","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","inotodiol","(10S,13R,14R)-17-(2-Hydroxy-1,5-dimethylhex-4-enyl)-4,4,10,13,14- pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H- cyclopenta[a]phenanthren-3-ol","","- C30 H50 O2 -","- C30 H50 O2 -","- C120 H200 O8 -","4","1","JH6035","Weifa Zheng; Tong Liu; Changsheng Yao","(10<i>S</i>,13<i>R</i>,14<i>R</i>)-17-(2-Hydroxy-1,5-dimethylhex-4-enyl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-ol","Acta Crystallographica Section E","2006","62","2","o733","o734","10.1107/S1600536806001929","","","0.71073","MoKα","","0.1265","0.0512","","","0.1031","0.1394","","","","","","1.079","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208115","6.487","0.002","8.314","0.002","39.165","0.006","90","","90","","90","","2112.3","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","strychnidinium succinate","strychnidinium hydrogen 1,2-ethanedicarboxylate","","- C25 H30 N2 O5 -","- C25 H30 N2 O5 -","- C100 H120 N8 O20 -","4","1","LH6569","Maurin, Jan K.; Lis, Tadeusz; Zawadzka, Anna; Czarnocki, Zbigniew","The crystal structure of strychnidine succinate shows similar self-assembly to strychnine salts","Acta Crystallographica Section E","2006","62","2","o694","o696","10.1107/S1600536806001875","","","1.5418","CuKα","","0.0388","0.0333","","","0.0742","0.0769","","","","","","0.996","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208119","7.8071","0.0008","12.0975","0.0012","18.312","0.0019","90","","90","","90","","1729.5","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-allyl-16,17a-dioxo-17-aza-D-homoestra-1,3,5(10)-trien-3-ol","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","LH6576","Hema, R.; Parthasarathi, V.; Ranju Bansal; Ravikumar, K.; Sridhar, B.","17-Allyl-16,17a-dioxo-17-aza-<small>D</small>-homoestra-1,3,5(10)-trien-3-ol","Acta Crystallographica Section E","2006","62","2","o653","o655","10.1107/S1600536806001462","","","0.71073","MoKα","","0.0453","0.042","","","0.1066","0.109","","","","","","1.17","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208126","5.8022","0.0002","7.6865","0.0003","28.3221","0.0012","90","","90","","90","","1263.13","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","benzoic acid β-D-Glucopyranoside","(2S,3S,4R,5R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl benzoate","","- C13 H16 O7 -","- C13 H16 O7 -","- C52 H64 O28 -","4","1","LH6594","He, Xiang-Jiu; Lobkovsky, Emil; Liu, Rui-Hai","(2<i>S</i>*,3<i>S</i>*,4<i>R</i>*,5<i>R</i>*)-3,4,5-Trihydroxy-6-(hydroxymethyl)-3,4,5,6-tetrahydro-2<i>H</i>-pyran-2-yl benzoate","Acta Crystallographica Section E","2006","62","2","o471","o472","10.1107/S1600536805043114","","","0.71073","MoKα","","0.0357","0.0324","","","0.0902","0.0922","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208127","8.014","0.007","11.97","0.012","17.239","0.018","90","","90","","90","","1654","3","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,10-dehydrosalviarin","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","NC2001","Mattia, Carlo Andrea; De Feo, Vincenzo; Quaranta, Emilia; Bisio, Angela; Romussi, Giovanni; Puliti, Raffaella","1,10-Dehydrosalviarin","Acta Crystallographica Section E","2006","62","2","o559","o562","10.1107/S160053680600050X","","","0.71073","MoKα","","0.0658","0.0354","","","0.0658","0.0733","","","","","","1.003","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208157","10.855","0.002","11.643","0.002","18.002","0.004","90","","90","","90","","2275.2","0.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S)-4-[(1S)-1-(Dibenzylamino)-2-phenylethyl]-1,3,2-dioxathiane","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C100 H108 N4 O12 S4 -","4","1","SG6039","Tan, Bin; Zheng, Jian-Feng; Kong, Xiang-Jiang; Jin, Li-Ren","(3<i>S</i>)-4-[(1<i>S</i>)-1-(Dibenzylamino)-2-phenylethyl]-1,3,2-dioxathiane","Acta Crystallographica Section E","2006","62","2","o425","o426","10.1107/S160053680504242X","","","0.71073","MoKα","","0.0805","0.0716","","","0.2043","0.2154","","","","","","1.046","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208159","8.346","0.001","9.951","0.001","15.934","0.002","90","","90","","90","","1323.3","0.3","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3α-hydroxy-11αH-guaia-4(15),10(14)-diene-12,6α-olide","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","SG6050","Ying Zhu; Ming, Yang; Zhong, Jian-Jia","A guaianolide-type sesquiterpene lactone","Acta Crystallographica Section E","2006","62","2","o510","o512","10.1107/S1600536805042984","","","0.71073","MoKα","","0.0612","0.0403","","","0.0793","0.0848","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208174","15.52275","0.00016","18.9256","0.0003","6.67375","0.00008","90","","90","","90","","1960.6","0.04","290","","25","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ampicillin trihydrate","6-[D(-)-α-Aminophenylacetamido]penicillanic acid trihydrate","","- C16 H25 N3 O7 S -","- C16 H25 N3 O7 S -","- C64 H100 N12 O28 S4 -","4","1","SU2001","Burley, Jonathan C.; Van de Streek, Jacco; Stephens, Peter W.","Ampicillin trihydrate from synchrotron powder diffraction data","Acta Crystallographica Section E","2006","62","2","o797","o799","10.1107/S1600536806001371","","","0.7003","synchrotron","","","","","","","","","","2.37","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2208181","7.194","0.001","9.859","0.001","25.995","0.006","90","","90","","90","","1843.7","0.5","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Vallesiachotamine","(2S,12βS)-methyl 2-[(1E)-1-formyl-1-propenyl]-1,2,6,7,12,12b-hexahydroindolo[2,3-α]quinolizine- 3-carboxylic acid","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","TK6293","Vencato, Ivo; Silva, Francielly M. da; Oliveira, Cecilia M. A. de; Kato, Lucilia; Tanaka, Clara M. A.; Silva, Cleuza C. da; Sabino, Jose R.","Vallesiachotamine","Acta Crystallographica Section E","2006","62","2","o429","o431","10.1107/S1600536805041553","","","1.5418","CuKα","","0.089","0.046","","","0.126","0.18","","","","","","1.23","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208185","6.9124","0.0014","15.398","0.003","19.778","0.004","90","","90","","90","","2105.1","0.7","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)hydrazono]- 2-(4-nitrophenylsulfanyl)acetate","","- C20 H25 N3 O4 S -","- C20 H25 N3 O4 S -","- C80 H100 N12 O16 S4 -","4","1","TK6303","A. Feddouli; My. Youssef Ait Itto; A. Hasnaoui; A. Riahi; Jean-Claude Daran","Ethyl 2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)hydrazono]-2-(4-nitrophenylsulfanyl)acetate","Acta Crystallographica Section E","2006","62","2","o699","o700","10.1107/S1600536806001796","","","0.71073","MoKα","","0.105","0.089","","","0.232","0.255","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208192","4.716","0.0009","16.551","0.003","18.466","0.004","90","","90","","90","","1441.4","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Wogonin","5,7-Dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one monohydrate","","- C16 H14 O6 -","- C16 H14 O6 -","- C64 H56 O24 -","4","1","WK6074","Jia-Liang Zhong; Yang Lu; Qi-Tai Zheng","5,7-Dihydroxy-8-methoxy-2-phenyl-4<i>H</i>-chromen-4-one monohydrate","Acta Crystallographica Section E","2006","62","2","o697","o698","10.1107/S1600536806002029","","","0.71073","MoKα","","0.0544","0.0535","","","0.134","0.1349","","","","","","1.227","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2208204","10.351","0.003","12.615","0.003","19.64","0.005","90","","90","","90","","2564.5","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4S)-tert-Butyl 4-dibenzylamino-3-hydroxy-5-phenylpentanoate","","- C29 H35 N O3 -","- C29 H35 N O3 -","- C116 H140 N4 O12 -","4","1","WW6444","Tan, Bin; Zheng, Jian-Feng; Huang, Rong-Bin; Wei, Zan-Bin; Jin, Li-Ren","(3<i>S</i>,4<i>S</i>)-<i>tert</i>-Butyl 4-dibenzylamino-3-hydroxy-5-phenylpentanoate","Acta Crystallographica Section E","2006","62","2","o423","o424","10.1107/S1600536805042728","","","0.71073","MoKα","","0.0709","0.0625","","","0.1693","0.1776","","","","","","1.117","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208222","6.0159","0.0014","11.014","0.003","22.347","0.005","90","","90","","90","","1480.7","0.6","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-1-(4-bromobenzylidene)ferrocene","","- C18 H15 Br Fe -","- C18 H15 Br Fe -","- C72 H60 Br4 Fe4 -","4","1","XU6103","Zhao, Zu-Zhi; Li, Lin; Wu, Jie-Ying","(<i>E</i>)-1-(4-Bromobenzylidene)ferrocene","Acta Crystallographica Section E","2006","62","2","m317","m318","10.1107/S1600536806001164","","","0.71073","MoKα","","0.046","0.035","","","0.085","0.089","","","","","","1.005","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208229","7.0637","0.001","11.6334","0.0017","31.08","0.004","90","","90","","90","","2554","0.6","294","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(17S)-2α,3α,18β,23,24-pentahydroxy-19(18\ρightarrow17)-abeo-28- norolean-12-en-21-one","","- C29 H46 O6 -","- C29 H46 O6 -","- C116 H184 O24 -","4","1","AC6229","Pu Liu; Wei Qiao; Wei Jia; Jie Teng; Hong-Quan Duan","(17<i>S</i>)-2α,3α,18β,23,24-Pentahydroxy-19(18\ρightarrow 17)-<i>abeo</i>-28-norolean-12-en-21-one from the rhizome of <i>Phlomis umbrosa</i>","Acta Crystallographica Section E","2006","62","3","o919","o921","10.1107/S1600536806003151","","","0.71073","MoKα","","0.0816","0.0452","","","0.102","0.1185","","","","","","1.032","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208243","10.901","0.002","14.493","0.003","21.355","0.003","90","","90","","90","","3373.8","1","286","2","286","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Verticillin A","Verticillin chloroform solvate","","- C31 H29 Cl3 N6 O6 S4 -","- C31 H29 Cl3 N6 O6 S4 -","- C124 H116 Cl12 N24 O24 S16 -","4","1","AV3001","Feiyan Liu; Shihua Wu; Yunlong Chen; Ping Wu","Verticillin chloroform solvate","Acta Crystallographica Section E","2006","62","3","o974","o976","10.1107/S1600536806004284","","","0.71073","MoKα","","0.107","0.0541","","","0.1051","0.1194","","","","","","0.857","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208277","8.8524","0.0001","10.0821","0.0002","13.1198","0.0002","90","","90","","90","","1170.95","0.03","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,5-Di-O-acetyl-3-C-methyl-D-lyxono-1,4-lactone","","- C10 H14 O7 -","- C10 H14 O7 -","- C40 H56 O28 -","4","1","CF6489","Bream, Richard; Watkin, David; Soengas, Raquel; Eastwick-Field, Vanessa; Fleet, George W. J.","2,5-Di-<i>O</i>-acetyl-3-<i>C</i>-methyl-<small>D</small>-lyxono-1,4-lactone","Acta Crystallographica Section E","2006","62","3","o977","o979","10.1107/S1600536806004211","","","0.71073","MoKα","","0.0337","0.0337","","0.0734","0.0734","0.0734","","","","","","0.9068","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208294","3.8765","0.0001","12.9341","0.0002","25.906","0.0005","90","","90","","90","","1298.9","0.05","100","0.1","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(4-Methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","CI6757","P. S. Patil; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","3-(4-Methoxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","3","o896","o898","10.1107/S1600536806003564","","","0.71073","MoKα","","0.0365","0.0349","","","0.0935","0.0963","","","","","","1.055","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208309","5.422","0.002","7.436","0.003","24.043","0.009","90","","90","","90","","969.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4S)-4-(Cyclopropylcarbonyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","DN6304","Wang, Li-Juan; Zhang, Zheng-Dong; Zheng, Jian-Feng; Fang, Hua; Jin, Li-Ren","(3<i>S</i>,4<i>S</i>)-4-(Cyclopropylcarbonyl)-3-[(1<i>R</i>)-1-hydroxyethyl]azetidin-2-one","Acta Crystallographica Section E","2006","62","3","o888","o889","10.1107/S160053680600359X","","","0.71073","MoKα","","0.0581","0.0527","","","0.1329","0.1366","","","","","","1.086","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208312","8.3175","0.0007","18.0065","0.0014","19.0503","0.0015","90","","90","","90","","2853.1","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chloro[(4R,9R,14R,19R)-24-chloro-2,21-dimethyl-3,10,13,20,26- pentaazatetracyclo[20.3.1.0^4,9^.0^14,19^]hexacosa-1(26),2(3),20(21),22(23),24- pentaene](methoxo)manganese(II) chloride monohydrate","","- C24 H39 Cl3 Mn N5 O2 -","- C24 H39 Cl3 Mn N5 O2 -","- C96 H156 Cl12 Mn4 N20 O8 -","4","1","ER6033","Tu, Hai-Yang; Wang, Cheng-Jing; Meng, Xiang-Gao; Zhang, Ai-Dong","Chloro[(4<i>R</i>,9<i>R</i>,14<i>R</i>,19<i>R</i>)-24-chloro-2,21-dimethyl-3,10,13,20,26-pentaazatetracyclo[20.3.1.0^4,9^.0^14,19^]hexacosa-1(26),2(3),20(21),22(23),24-pentaene](methoxo)manganese(II) chloride monohydrate","Acta Crystallographica Section E","2006","62","3","m500","m501","10.1107/S1600536806004466","","","0.71073","MoKα","","0.0582","0.0445","","","0.0901","0.0962","","","","","","0.999","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208342","9.2758","0.0018","14.886","0.003","13.785","0.003","90","","90","","90","","1903.4","0.7","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","12-Methoxy-15-(4-pyrrolidin-1-yl)podocarpa-8,11,13-trien-15-one","3-Methoxy-4b,8-dimethyl-8-(4-pyrrolidin-1-ylcarbonyl)- 4b,5,6,7,8,8a,9,10-octahydrophenanthrene","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C88 H124 N4 O8 -","4","1","HG6293","Butcher, Ray J.; Bakare, Oladapo; John, Nicole J.","12-Methoxy-15-(1-pyrrolidino)podocarpa-8,11,13-triene-15-one","Acta Crystallographica Section E","2006","62","3","o945","o947","10.1107/S1600536806001668","","","0.71073","MoKα","","0.0426","0.0351","","","0.0878","0.0914","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208352","8.825","0.002","10.823","0.003","22.592","0.006","90","","90","","90","","2157.8","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tri-n-butyl(5-chloro-6-hydroxypyridine-3-carboxylato)tin(IV)","","- C18 H30 Cl N O3 Sn -","- C18 H30 Cl N O3 Sn -","- C72 H120 Cl4 N4 O12 Sn4 -","4","1","HK6074","Fa-Hui Li; Han-Dong Yin; Gang Li; Da-Qi Wang","Tri-<i>n</i>-butyl(5-chloro-6-hydroxypyridine-3-carboxylato)tin(IV)","Acta Crystallographica Section E","2006","62","3","m645","m647","10.1107/S1600536806006659","","","0.71073","MoKα","","0.0632","0.0416","","","0.1021","0.1174","","","","","","0.997","","","","has coordinates,has disorder","176774","2020-10-21","18:00:00",""
"2208377","8.3693","0.0013","13.072","0.002","31.603","0.005","90","","90","","90","","3457.5","0.9","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(Acetoxymethyl)-2-[(2R,3R,4R,5S)-3,4-diacetoxy-2,5-bis(chloromethyl)- 2,3,4,5-tetrahydrofuran-2-yloxy]-5-chloro-3,4,5,6-tetrahydro-2H-pyran-3,4-diyl diacetate toluene solvate","","- C29 H37 Cl3 O13 -","- C29 H37 Cl3 O13 -","- C116 H148 Cl12 O52 -","4","1","LH6586","Hui-Liang Wen; Zhi-Jie Fang; Zi-Sheng Wu; Ming-Yong Xie","6-(Acetoxymethyl)-5-chloro-2-[(2<i>R</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4-diacetoxy-2,5-bis(chloromethyl)-2,3,4,5-tetrahydrofuran-2-yloxy]-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3,4-diyl diacetate toluene solvate","Acta Crystallographica Section E","2006","62","3","o1157","o1159","10.1107/S1600536806006167","","","0.71073","MoKα","","0.138","0.0628","","","0.1216","0.153","","","","","","1.091","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208394","5.538","0.0011","14.508","0.003","15.908","0.003","90","","90","","90","","1278.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Tyrosine n-butyl ester","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","NG6285","Qian, Shao-Song; Jiao, Qing-Cai; Zhu, Hai-Liang; Tiekink, Edward R. T.","<small>L</small>-Tyrosine <i>n</i>-butyl ester","Acta Crystallographica Section E","2006","62","3","o882","o884","10.1107/S1600536806003606","","","0.71073","MoKα","","0.061","0.05","","","0.125","0.133","","","","","","1.08","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208400","8.6005","0.0005","13.7002","0.001","14.8204","0.0013","90","","90","","90","","1746.3","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Dichloro-O-(dimethylformamide)[hydrotris(pyrazol-1-yl)borato]vanadium(III) Chloro-O-(N,N-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]oxovanadium(IV)","dichloro(N,N-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]vanadium(III) chloro(N,N-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]oxovanadium(IV)","","- C24 H34 B2 Cl3.06 N14 O2.94 V2 -","- C24 H34 B2 Cl3.06 N14 O2.94 V2 -","- C48 H68 B4 Cl6.12 N28 O5.88 V4 -","2","0.5","OM6287","McLauchlan, Craig C.; McDonald, Kenneth J.","Cocrystallization of dichloro(<i>N</i>,<i>N</i>-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]vanadium(III) with its partially oxidized analog chloro(<i>N</i>,<i>N</i>-dimethylformamide)[hydrotris(pyrazol-1-yl)borato]oxovanadium(IV)","Acta Crystallographica Section E","2006","62","3","m588","m590","10.1107/S1600536806005423","","","0.71073","MoKα","","0.0583","0.0495","","","0.1278","0.1337","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208436","8.2844","0.0009","8.4743","0.001","25.388","0.003","90","","90","","90","","1782.4","0.4","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2-Dimethyl-1,4-dihydro-2H-3,1-benzoxazine","","- C10 H13 N O -","- C10 H13 N O -","- C80 H104 N8 O8 -","8","2","TK6304","Odabaşoğlu, Mustafa; Özdamar, Özgür; Büyükgüngör, Orhan","2,2-Dimethyl-1,4-dihydro-2<i>H</i>-3,1-benzoxazine","Acta Crystallographica Section E","2006","62","3","o908","o910","10.1107/S1600536806003825","","","0.71073","MoKα","","0.057","0.03","","","0.057","0.061","","","","","","0.81","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208467","9.3749","0.0004","11.6692","0.0005","20.0628","0.0009","90","","90","","90","","2194.82","0.17","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(2,2'-bipyridine-κ^2^N,N')copper(I) trifluoromethanesulfonate","","- C21 H16 Cu F3 N4 O3 S -","- C21 H16 Cu F3 N4 O3 S -","- C84 H64 Cu4 F12 N16 O12 S4 -","4","1","XU6114","Pintauer Tomislav","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(I) trifluoromethanesulfonate","Acta Crystallographica Section E","2006","62","3","m620","m622","10.1107/S1600536806006222","","","0.71073","MoKα","","0.064","0.036","","","0.104","0.126","","","","","","0.81","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208469","8.002","0.0007","9.7745","0.0008","25.255","0.002","90","","90","","90","","1975.3","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-Methoxyphenoxy)-1,9-diphenyl-1,9-dihydropurin-6-one","","- C24 H18 N4 O3 -","- C24 H18 N4 O3 -","- C96 H72 N16 O12 -","4","1","YA6274","Nian-Yu Huang; Ming-Wu Ding; Zai-Gang Luo; Na Zuo; Xiao-Hua Zeng; Hong-Wu He","2-(4-Methoxyphenoxy)-1,9-diphenyl-1,9-dihydropurin-6-one","Acta Crystallographica Section E","2006","62","3","o1022","o1024","10.1107/S1600536806002765","","","0.71073","MoKα","","0.062","0.044","","","0.089","0.096","","","","","","0.96","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208481","5.2174","0.0015","10.823","0.003","13.517","0.004","90","","90","","90","","763.3","0.4","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(2-aminoacetato-κ^2^N,O)aquanickel(II)","","- C4 H10 N2 Ni O5 -","- C4 H10 N2 Ni O5 -","- C16 H40 N8 Ni4 O20 -","4","1","AT2011","Ding, Yang-Jun; Sun, Yu-Xi; Zhang, Nian-Wei","Bis(2-aminoacetato-κ^2^<i>N</i>,<i>O</i>)aquanickel(II)","Acta Crystallographica Section E","2006","62","4","m728","m730","10.1107/S1600536806007963","","","0.71073","MoKα","","0.076","0.0506","","","0.0722","0.079","","","","","","1.014","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208495","7.2094","0.0011","12.4483","0.0018","15.628","0.002","90","","90","","90","","1402.5","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-Dimethylpyridinium hydrogen (2R,3R)-(+)-tartrate sesquihydrate","","- C11 H18 N O7.5 -","- C11 H18 N O7.5 -","- C44 H72 N4 O30 -","4","1","BH2004","Wang, Zi-Liang; Li, Ming-Xue; Wei, Lin-Heng; Wang, Jing-Ping","2,6-Dimethylpyridinium hydrogen (2<i>R</i>,3<i>R</i>)-(+)-tartrate sesquihydrate","Acta Crystallographica Section E","2006","62","4","o1433","o1434","10.1107/S1600536806008579","","","0.71073","MoKα","","0.0864","0.0472","","","0.0975","0.1073","","","","","","0.902","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208537","5.5808","0.0003","14.8272","0.0006","30.3806","0.0017","90","","90","","90","","2513.9","0.2","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,4-Dimethyl-6-phenyl-8-oxabicyclo[3.2.1]octan-3-one","","- C15 H18 O2 -","- C15 H18 O2 -","- C120 H144 O16 -","8","2","BV2009","Dockendorff, Chris; Lautens, Mark; Lough, Alan J.","2,4-Dimethyl-6-phenyl-8-oxabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section E","2006","62","4","o1601","o1603","10.1107/S1600536806009779","","","0.71073","MoKα","","0.1087","0.0495","","","0.1036","0.1287","","","","","","1.004","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208539","6.3295","0.0016","11.365","0.003","13.908","0.003","90","","90","","90","","1000.5","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","6-Amino-3-(β-D-2-deoxy-erythrofuranosyl)-2-fluuoropyridine","(2R,3R,5R)-5-(6-amino-2-fluoropyridin-3-yl)-2-(hydroxymethyl)-2,3,4,5- tetrahydrofuran-3-ol","","- C10 H13 F N2 O3 -","- C10 H13 F N2 O3 -","- C40 H52 F4 N8 O12 -","4","1","CF2004","Sun, Zhenhua; Lo, Wayne; McLaughlin, Larry W.","6-Amino-3-(β-<small>D</small>-2-deoxy-<i>erythro</i>-furanosyl)-2-fluoropyridine: a nucleoside analogue","Acta Crystallographica Section E","2006","62","4","o1437","o1439","10.1107/S1600536806007707","","","0.71073","MoKα","","0.0348","0.0327","","","0.0805","0.0816","","","","","","1.133","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208540","7.357","0.0002","8.2864","0.0002","11.7886","0.0003","90","","90","","90","","718.67","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Deoxy-2-fluoro-2-C-methyl-D-ribono-1,4-lactone","","- C6 H9 F O4 -","- C6 H9 F O4 -","- C24 H36 F4 O16 -","4","1","CF2007","Parker, Samuel; Watkin, David; Mayes, Benjamin; Storer, Richard; Jenkinson, Sarah; Fleet, George","2-Deoxy-2-fluoro-2-<i>C</i>-methyl-<small>D</small>-ribono-1,4-lactone (fluoromethylrib)","Acta Crystallographica Section E","2006","62","4","o1208","o1210","10.1107/S1600536806006337","","","0.71073","MoKα","","0.0295","0.0295","","0.0978","0.0978","0.0978","","","","","","0.9094","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208548","5.6199","0.0011","16.824","0.003","26.87","0.005","90","","90","","90","","2540.5","0.8","291","1","291","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-Menthyl (S~P~,R~S~)-(2-p-tolylsulfinylethyl)phenylphosphinate","","- C25 H35 O3 P S -","- C25 H35 O3 P S -","- C100 H140 O12 P4 S4 -","4","1","CI2010","Osiński, Piotr W.; Saadi, Jakub; Ricken, Stefan; Schürmann, Markus; Preut, Hans; Pietrusiewicz, Michal; Eilbracht, Peter","({-})-Menthyl (<i>S</i>~P~,<i>R</i>~S~)-(2-<i>p</i>-tolylsulfinylethyl)phenylphosphinate","Acta Crystallographica Section E","2006","62","4","o1248","o1249","10.1107/S1600536806007458","","","0.71073","MoKα","","0.1406","0.0323","","","0.0598","0.0822","","","","","","0.894","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208552","7.367","0.001","8.377","0.002","27.676","0.005","90","","90","","90","","1708","0.6","288","2","288","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6,6a,11,12-tetrahydro-8,9-dimethoxy-14H- dioxolo[4',5':7,8]isoquinolino[3,2-a]iosquinoline","Tetrahydroepiberberine","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","CI2018","Xiao-Ling Wang","Tetrahydroepiberberine","Acta Crystallographica Section E","2006","62","4","o1271","o1272","10.1107/S1600536806007471","","","0.71073","MoKα","","0.0615","0.0383","","","0.0799","0.0857","","","","","","0.952","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208575","8.5456","0.001","12.5165","0.0015","18.109","0.002","90","","90","","90","","1937","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[2-(dimethylamino)ethanol-κ^2^N,O](2,4-pentanedionate-κ^2^O,O')nickel(II) acetate","","- C15 H32 N2 Ni O6 -","- C15 H32 N2 Ni O6 -","- C60 H128 N8 Ni4 O24 -","4","1","CV6645","Muhammad, Sultan; Mazhar, Muhammad; Zeller, Matthias; Hunter, Allen D.","Bis[2-(dimethylamino)ethanol-κ^2^<i>N</i>,<i>O</i>](2,4-pentanedionato-κ^2^<i>O</i>,<i>O</i>')nickel(II) acetate","Acta Crystallographica Section E","2006","62","4","m824","m826","10.1107/S1600536806009482","","","0.71073","MoKα","","0.0247","0.0243","","","0.0623","0.0626","","","","","","1.066","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208576","9.102","0.002","12.322","0.003","18.542","0.004","90","","90","","90","","2079.6","0.8","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthalenyl-3-carbaldehyde","","- C25 H22 O5 -","- C25 H22 O5 -","- C100 H88 O20 -","4","1","DN2005","Chen, Wei-Zhu; Fang, Hua; Zeng, Qing-Le; Xu, Peng-Xiang; Zhao, Yu-Fen","(<i>R</i>)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthalenyl-3-carbaldehyde","Acta Crystallographica Section E","2006","62","4","o1243","o1244","10.1107/S1600536806007574","","","0.71073","MoKα","","0.048","0.0451","","","0.1184","0.1201","","","","","","1.151","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208581","11.071","0.003","12.118","0.003","12.998","0.002","90","","90","","90","","1743.8","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1H-7-Aza-13a-methyl-2,3,3a,3b,11,11a,11b,12,13,13a-decahydro- indeno[6,7-<i>a</i>]anthracen-1-ol","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","DN2010","Ji-Zhong Yan; Cheng-Cai Xia; Guo-Wu Rao","13a-Methyl-2,3,3a,3b,11,11a,11b,12,13,13a-decahydro-1<i>H</i>-7-azaindeno[5,4-<i>a</i>]anthracen-1-ol","Acta Crystallographica Section E","2006","62","4","o1586","o1587","10.1107/S1600536806010117","","","0.71073","MoKα","","0.1027","0.0371","","","0.0836","0.1051","","","","","","1.03","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208582","9.0404","0.0012","11.7373","0.0015","18.768","0.002","90","","90","","90","","1991.5","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[(R)-1-(2-Hydroxy-3,5-dimethylphenyl)ethyl]-N-[(R)-2-methyl-1- phenylpropyl]ammonium chloride","","- C20 H28 Cl N O -","- C20 H28 Cl N O -","- C80 H112 Cl4 N4 O4 -","4","1","DN2012","Guang-You Zhang; Jin-Yan Zhao; Xiang-Bo Wang; Wan-Hui Wang","<i>N</i>-[(<i>R</i>)-1-(2-Hydroxy-3,5-dimethylphenyl)ethyl]-<i>N</i>-[(<i>R</i>)-2-methyl-1-phenylpropyl]ammonium chloride","Acta Crystallographica Section E","2006","62","4","o1543","o1545","10.1107/S1600536806010002","","","0.71073","MoKα","","0.0456","0.0439","","","0.1018","0.1031","","","","","","1.185","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208584","9.672","0.002","11.414","0.003","11.656","0.003","90","","90","","90","","1286.8","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Zederone","5,9,14-Trimethyl-4,12-dioxa-tricyclo[9.3.0.0^3,5^]tetradeca-1(11),8,13-trien- 2-one","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","DN2014","Chan, Kam Seng; Zakaria, Zuriati; Malek, Sri N. A.; Yamin, Bohari M.","5,9,14-Trimethyl-4,12-dioxatricyclo[9.3.0.0^3,5^]tetradeca-1(11),8,13-trien-2-one (zederone)","Acta Crystallographica Section E","2006","62","4","o1546","o1547","10.1107/S1600536806010221","","","0.71073","MoKα","","0.0362","0.034","","","0.0945","0.0966","","","","","","1.075","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208629","7.0405","0.0007","7.4902","0.0007","15.2806","0.0015","90","","90","","90","","805.82","0.14","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Isonipecotate chloride","","- C6 H12 Cl N O2 -","- C6 H12 Cl N O2 -","- C24 H48 Cl4 N4 O8 -","4","1","HK6075","Zhi-Cheng Ma; Xin-Hua Li","Isonipecotate chloride","Acta Crystallographica Section E","2006","62","4","o1250","o1251","10.1107/S1600536806007252","","","0.71073","MoKα","","0.047","0.0459","","","0.122","0.1227","","","","","","1.204","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208633","9.608","0.0014","10.0047","0.0015","16.791","0.003","90","","90","","90","","1614","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-(1H-Indol-3-ylmethylene)isonicotinohydrazide ethanol solvate","","- C17 H18 N4 O2 -","- C17 H18 N4 O2 -","- C68 H72 N16 O8 -","4","1","IS2009","Jing, Zuo-Liang; Cheng, Wen-Wen; Chen, Xin; Yu Ming","2'-(1<i>H</i>-Indol-3-ylmethylene)isonicotinohydrazide ethanol solvate","Acta Crystallographica Section E","2006","62","4","o1360","o1361","10.1107/S1600536806008361","","","0.71073","MoKα","","0.0368","0.0343","","","0.099","0.1013","","","","","","1.063","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208650","10.2462","0.001","9.4543","0.0012","16.112","0.0017","90","","90","","90","","1560.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(2-tert-Butylphenoxy)phthalonitrile","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","KP6082","Ustabaş, Reşat; Çoruh, Ufuk; Akdemir, Nesuhi; Ağar, Erbil; Yavuz, Metin","4-(2-<i>tert</i>-Butylphenoxy)phthalonitrile","Acta Crystallographica Section E","2006","62","4","o1216","o1217","10.1107/S1600536806007094","","","0.71073","MoKα","","0.0767","0.041","","","0.1084","0.1163","","","","","","0.903","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208692","7.5637","0.0005","11.5604","0.0007","21.3353","0.0013","90","","90","","90","","1865.5","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-2,2'-Diethoxy-1,1'-binaphthyl","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","OM2006","Thorup, Niels; Deussen, Heinz-Josef; Bechgaard, Klaus; Bjørnholm, Thomas","(<i>S</i>)-2,2'-Diethoxy-1,1'-binaphthyl","Acta Crystallographica Section E","2006","62","4","o1342","o1343","10.1107/S1600536806007872","","","0.71073","MoKα","","0.0584","0.0393","","","0.0879","0.097","","","","","","1.037","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208696","7.259","0.003","9.109","0.003","18.334","0.007","90","","90","","90","","1212.3","0.8","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-hydroxyquinoline‒5-methyl-1H-imidazole (1/1)","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C52 H52 N12 O4 -","4","1","RZ2005","Zhi-Xiong Liu; Meng, Xiang-Gao","A 1:1 cocrystal of 8-hydroxyquinoline and 5-methyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2006","62","4","o1286","o1288","10.1107/S1600536806007604","","","0.71073","MoKα","","0.1152","0.0593","","","0.1143","0.1288","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208707","5.9662","0.0007","7.9654","0.0009","22.227","0.002","90","","90","","90","","1056.3","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4-Dimethyl-1-phenylphosphole","","- C12 H13 P -","- C12 H13 P -","- C48 H52 P4 -","4","1","SG2014","Scheibitz, Matthias; Lerner, Hans-Wolfram; Bolte, Michael","3,4-Dimethyl-1-phenylphosphole","Acta Crystallographica Section E","2006","62","4","o1476","o1477","10.1107/S1600536806009391","","","0.71073","MoKα","","0.0645","0.0517","","","0.1112","0.1178","","","","","","1.006","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208714","8.354","0.009","16.39","0.07","16.78","0.01","90","","90","","90","","2298","10","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Longipilin acetate","","- C23 H28 O9 -","- C23 H28 O9 -","- C92 H112 O36 -","4","1","SJ2008","Ospina, Olga L.; Rojas, Carlos A.; Vega, Daniel","Longipilin acetate","Acta Crystallographica Section E","2006","62","4","o1330","o1332","10.1107/S1600536806007215","","","0.71073","MoKα","","0.2048","0.043","","","0.099","0.1378","","","","","","0.917","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208724","7.1962","0.0016","10.532","0.002","16.963","0.004","90","","90","","90","","1285.6","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-1-Hydroxybutan-2-ammonium (2R,3R)-tartrate monohydrate","","- C8 H19 N O8 -","- C8 H19 N O8 -","- C32 H76 N4 O32 -","4","1","SJ2018","Zhang, Yue-Cheng; Bai, Guo-Yi; Zeng, Tao; Li, Jiang-Sheng; Yan Xi-Long","(<i>R</i>)-1-Hydroxybutan-2-ammonium (2<i>R</i>,3<i>R</i>)-tartrate monohydrate","Acta Crystallographica Section E","2006","62","4","o1511","o1512","10.1107/S1600536806009615","","","0.71073","MoKα","","0.0555","0.0407","","","0.1042","0.1173","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","201973","2020-10-21","18:00:00",""
"2208725","10.4149","0.0003","15.0106","0.0005","16.311","0.0005","90","","90","","90","","2549.96","0.14","100","0.1","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-[(R)-1-Phenylethyl]thiobenzamide","N-[(R)-1-Phenylethyl]thiobenzamide","","- C15 H15 N S -","- C15 H15 N S -","- C120 H120 N8 S8 -","8","2","SJ2019","Zhong-Lin Lu; Hoong-Kun Fun; Suchada Chantrapromma; R. Stan Brown","<i>N</i>-[(<i>R</i>)-1-Phenylethyl]thiobenzamide","Acta Crystallographica Section E","2006","62","4","o1513","o1515","10.1107/S1600536806009639","","","0.71073","MoKα","","0.0529","0.0467","","","0.1141","0.1173","","","","","","1.13","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208734","6.7895","0.0002","14.5013","0.0004","24.8565","0.0008","90","","90","","90","","2447.29","0.13","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","bis(2-amino-3-hydroxy-1-phenylpropanolato-κ^2^N,O^1^)(ethylenediamine- κ^2^N,N')cobalt(III) iodide monohydrate","","- C20 H34 Co I N4 O5 -","- C20 H34 Co I N4 O5 -","- C80 H136 Co4 I4 N16 O20 -","4","1","TK2007","Benson, Ronald E.; Clearfield, Abraham; Daniels, Lee M.; Wardeska, Jeff G.","Redetermination of bis(2-amino-3-hydroxy-1-phenylpropanolato-κ^2^<i>N</i>,<i>O</i>^1^)(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) iodide monohydrate","Acta Crystallographica Section E","2006","62","4","m696","m698","10.1107/S1600536806007197","","","0.71073","MoKα","","0.03","0.027","","","0.061","0.062","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2208753","12.571","0.0013","15.6745","0.0016","15.7618","0.0016","90","","90","","90","","3105.8","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Betulin diacetate","20(29)-Lupene-3β, 28β-diacetate","","- C34 H54 O4 -","- C34 H54 O4 -","- C136 H216 O16 -","4","1","WN2009","Itedal El Tahir; M. Iqbal Choudhary; Shamsher Ali; Shazia Anjum; Atta-ur-Rahman","20(29)-Lupene-3β,28β-diacetate","Acta Crystallographica Section E","2006","62","4","o1352","o1354","10.1107/S1600536806008233","","","0.71073","MoKα","","0.0451","0.042","","","0.1146","0.1184","","","","","","1.039","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208761","10.1147","0.0004","18.8215","0.0008","23.4907","0.0009","90","","90","","90","","4472","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dicatharanthinium (2R,3R)-tartrate trihydrate","bis(methyl 3,4-didehydroibogamin-6-ium-18-carboxylate) (2R,3R)-tartrate trihydrate","","- C46 H60 N4 O13 -","- C46 H60 N4 O13 -","- C184 H240 N16 O52 -","4","1","WW6476","Pei, Sai-Feng; Sun, Cui-Rong; Hu, Mao-Lin; Pan, Yuan-Jiang","Dicatharanthinium (2<i>R</i>,3<i>R</i>)-tartrate trihydrate","Acta Crystallographica Section E","2006","62","4","o1414","o1416","10.1107/S1600536806008713","","","0.71073","MoKα","","0.076","0.0631","","","0.1301","0.1359","","","","","","1.185","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208776","5.332","0.0002","8.4865","0.0003","15.7238","0.0008","90","","90","","90","","711.5","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Deoxy-D-galactono-1,4-lactone (3-deoxy-D-xylo-hexono-1,4-lactone)","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","YA6281","Punzo, Francesco; Watkin, David J.; Hotchkiss, David; Fleet, George W. J.","3-Deoxy-<small>D</small>-galactono-1,4-lactone (3-deoxy-<small>D</small>-<i>xylo</i>-hexono-1,4-lactone)","Acta Crystallographica Section E","2006","62","4","o1344","o1346","10.1107/S1600536806008099","","","0.71073","MoKα","","0.026","0.024","","0.059","0.058","0.059","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208803","5.4982","0.0005","8.111","0.0007","24.306","0.002","90","","90","","90","","1083.95","0.16","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,4'-Diaminobenzophenone","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","BT2048","Wen, Yi-Hang; He, Yin-Hua; Feng, Yun-Long; Ng, Seik Weng","An orthorhombic modification of 4,4'-diaminobenzophenone","Acta Crystallographica Section E","2006","62","5","o1787","o1788","10.1107/S1600536806012281","","","0.71073","MoKα","","0.034","0.032","","","0.087","0.088","","","","","","1.02","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208815","8.134","0.002","11.043","0.003","21.385","0.006","90","","90","","90","","1920.9","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-(+)-1-(2-Hydroxybenzylideneamino)-2-(p-tolylsulfonylamino)cyclohexane","","- C20 H24 N2 O3 S -","- C20 H24 N2 O3 S -","- C80 H96 N8 O12 S4 -","4","1","CF2014","Yang, Hong-Wei; Li, Yi-Zhi; Pan, Xu; Sun, Jiang-Tao; Zhu, Cheng-Jian","(1<i>R</i>,2<i>R</i>)-(+)-1-(2-Hydroxybenzylideneamino)-2-(<i>p</i>-tolylsulfonylamino)cyclohexane","Acta Crystallographica Section E","2006","62","5","o1982","o1983","10.1107/S1600536806013808","","","0.71073","MoKα","","0.069","0.0554","","","0.1198","0.1228","","","","","","1.071","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2208825","12.51","0.002","14.843","0.003","14.8398","0.0013","90","","90","","90","","2755.5","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2'-[(Ethylenedioxy)bis(ethyleneoxy)]bis[<i>N</i>-(2-pyridiyl)benzamide]","","- C30 H30 N4 O6 -","- C30 H30 N4 O6 -","- C120 H120 N16 O24 -","4","1","CI2039","Wang, Wen-Hua; You, Zhong-Lu; Liu, Wei-Sheng; Da-Qi Wang","2,2'-[(Ethylenedioxy)bis(ethyleneoxy)]bis[<i>N</i>-(2-pyridyl)benzamide]","Acta Crystallographica Section E","2006","62","5","o1768","o1769","10.1107/S160053680601230X","","","0.71073","MoKα","","0.1114","0.0422","","","0.1077","0.1508","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208826","6.9503","0.0001","15.6916","0.0002","20.4365","0.0003","90","","90","","90","","2228.83","0.05","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-chlorobenzenesulfonate","2-[(E)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-chlorobenzenesulfonate","","- C25 H22 Cl N O5 S -","- C25 H22 Cl N O5 S -","- C100 H88 Cl4 N4 O20 S4 -","4","1","CI2040","Suchada Chantrapromma; Boonwasana Jindawong; Hoong-Kun Fun; P. S. Patil; Chatchanok Karalai","2-[(<i>E</i>)-2-(3-Hydroxy-4-methoxyphenyl)ethenyl]-1-methylquinolinium 4-chlorobenzenesulfonate","Acta Crystallographica Section E","2006","62","5","o1802","o1804","10.1107/S1600536806012347","","","0.71073","MoKα","","0.0612","0.0435","","","0.101","0.1104","","","","","","1.036","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208835","7.7404","0.0006","10.0227","0.0007","20.5622","0.0016","90","","90","","90","","1595.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Acetyl-4-furyl-1-methylspiro[pyrrolidine-2.2'-indol]-2'(3'H)-one","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","CI2049","A. Subbiahpandi; D. Velmurugan; K. Ravikumar; R. R. Durga; R. Raghunathan","3-Acetyl-4-furyl-1-methylspiro[pyrrolidine-2,2'-indol]-2'(3'<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1964","o1965","10.1107/S1600536806013353","","","0.71073","MoKα","","0.0594","0.0489","","","0.1233","0.1301","","","","","","1.089","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2208853","4.7472","0.0006","11.2103","0.0014","25.139","0.003","90","","90","","90","","1337.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S)-Methyl 2-[2-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]propionate","","- C10 H14 F N3 O6 -","- C10 H14 F N3 O6 -","- C40 H56 F4 N12 O24 -","4","1","CV2027","Ping Yin; Mao-Lin Hu; Jing Xiong; Xiao-Qing Cai","Methyl (2<i>S</i>)-2-[2-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetamido]propionate monohydrate","Acta Crystallographica Section E","2006","62","5","o1745","o1746","10.1107/S1600536806011184","","","0.71073","MoKα","","0.0444","0.043","","","0.1056","0.1067","","","","","","1.193","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208874","6.3425","0.0007","14.0242","0.0015","15.1156","0.0016","90","","90","","90","","1344.5","0.3","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pterodontic acid","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","ER6042","Mei, Zhi-Nan; Li, Yun-Fang; Yu, Xin; Yang, Guang-Zhong","Pterodontic acid","Acta Crystallographica Section E","2006","62","5","o1841","o1843","10.1107/S1600536806012566","","","0.71073","MoKα","","0.052","0.0467","","","0.123","0.1261","","","","","","1.084","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208875","6.3452","0.0012","14.032","0.003","15.132","0.003","90","","90","","90","","1347.3","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Eudesmane-5,12-dien-13-oic acid","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","ER6043","Ying-Qian Xu; Yue-Dong Lv; Yan-Ling Quan","Eudesma-5,12-dien-13-oic acid from <i>Laggera pterodonta</i>","Acta Crystallographica Section E","2006","62","5","o1844","o1845","10.1107/S1600536806012529","","","0.71073","MoKα","","0.0579","0.0386","","","0.0935","0.1054","","","","","","1.025","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208899","9.0343","0.0018","9.2051","0.0018","19.152","0.004","90","","90","","90","","1592.7","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(Dibenzoylamino)pyridine","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","1","HG2021","Yan-Bo Weng; Jing-Kang Wang; Yan-Fei Wang","2-(Dibenzoylamino)pyridine","Acta Crystallographica Section E","2006","62","5","o1868","o1869","10.1107/S1600536806012852","","","0.71073","MoKα","","0.0305","0.0279","","","0.0841","0.0858","","","","","","1.164","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208907","6.1216","0.0016","12.535","0.003","13.321","0.004","90","","90","","90","","1022.2","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Hydroxy-N-(2-pyridyl)benzamide","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","HK2022","Wang, Wen-Hua; You, Zhong-Lu; Liu, Wei-Sheng; Da-Qi Wang","2-Hydroxy-<i>N</i>-(2-pyridyl)benzamide","Acta Crystallographica Section E","2006","62","5","o1772","o1773","10.1107/S1600536806012244","","","0.71073","MoKα","","0.092","0.0461","","","0.111","0.1349","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208909","10.443","0.002","12.324","0.003","18.927","0.004","90","","90","","90","","2435.9","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","16β-Bromo-17-hydroxypregn-4-ene-3,11,20-trione chloroform solvate","17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-1,6,7,8,9,10,12,13,14, 15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene-3,11-dione chloroform solvate","","- C22 H28 Br Cl3 O4 -","- C22 H28 Br Cl3 O4 -","- C88 H112 Br4 Cl12 O16 -","4","1","HK2025","Nie, Qiang; Wang, Jing-Kang; Zhou, Lina","16β-Bromo-17-hydroxypregn-4-ene-3,11,20-trione chloroform solvate","Acta Crystallographica Section E","2006","62","5","o1777","o1779","10.1107/S1600536806012220","","","0.71073","MoKα","","0.0657","0.0416","","","0.0842","0.0912","","","","","","0.95","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2208923","7.121","0.003","8.492","0.003","26.171","0.007","90","","90","","90","","1582.6","1","296","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Bromo-N-(3,4,5-trimethoxyphenyl)benzamide","","- C16 H16 Br N O4 -","- C16 H16 Br N O4 -","- C64 H64 Br4 N4 O16 -","4","1","JH2009","Na Xue; Xiu-Yang Lu; Yong-Zhou Hu","4-Bromo-<i>N</i>-(3,4,5-trimethoxyphenyl)benzamide","Acta Crystallographica Section E","2006","62","5","o2030","o2031","10.1107/S1600536806014486","","","0.71075","MoKα","","","0.0376","","","","0.0899","","","","","","1.003","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2208924","11.4642","0.0004","30.0972","0.001","3.902","0.0001","90","","90","","90","","1346.35","0.07","100","0.1","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Bromophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one","","- C15 H9 Br Cl2 O -","- C15 H9 Br Cl2 O -","- C60 H36 Br4 Cl8 O4 -","4","1","JH2010","P. S. Patil; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-(4-Bromophenyl)-3-(2,4-dichlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","5","o1710","o1712","10.1107/S1600536806011287","","","0.71073","MoKα","","0.0524","0.0498","","","0.1243","0.1311","","","","","","1.196","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2208975","7.8516","0.0013","16.14","0.003","19.951","0.003","90","","90","","90","","2528.3","0.7","298","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,3-Di-p-toluoyl-(2R,3R)-tartaric acid ethyl acetate solvate","","- C24 H26 O10 -","- C24 H26 O10 -","- C96 H104 O40 -","4","1","RZ2012","Li-Da Tang; Gui-Yun Duan; Da-Tong Zhang; Jian-Wu Wang","2,3-Di-<i>p</i>-toluoyl-(2<i>R</i>,3<i>R</i>)-tartaric acid ethyl acetate solvate","Acta Crystallographica Section E","2006","62","5","o1685","o1686","10.1107/S1600536806011469","","","0.71073","MoKα","","0.0575","0.046","","","0.1121","0.1197","","","","","","1.056","","","","has coordinates","176774","2020-10-21","18:00:00",""
"2208989","7.8014","0.0004","15.2381","0.0011","19.1271","0.001","90","","90","","90","","2273.8","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,4,6-Tetra-O-acetyl-N-(2-hydroxybenzylidene)-β-D-galactopyranosylamine","","- C21 H25 N O10 -","- C21 H25 N O10 -","- C84 H100 N4 O40 -","4","1","SG2019","Mehmet Akkurt; Sema Öztürk Yıldırım; Ali Asghar Jarrahpour; Parvaneh Alvand; Orhan Büyükgüngör","2,3,4,6-Tetra-<i>O</i>-acetyl-<i>N</i>-(2-hydroxybenzylidene)-β-<small>D</small>-galactopyranosylamine","Acta Crystallographica Section E","2006","62","5","o2069","o2071","10.1107/S1600536806011329","","","0.71073","MoKα","","0.064","0.0412","","","0.0919","0.1023","","","","","","0.98","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209005","5.8236","0.0005","7.982","0.0007","24.5229","0.0017","90","","90","","90","","1139.92","0.16","296","","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-(3-pyridylamino)phthalide","3-(3-Pyridylamino)isobenzofuran-1(3H)-one","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","SJ2041","Odabaşoğlu, Mustafa; Büyükgüngör, Orhan","3-(3-Pyridylamino)isobenzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o2088","o2089","10.1107/S1600536806013390","","","0.71073","MoKα","","0.0427","0.0342","","","0.0861","0.0905","","","","","","1.066","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209017","9.0424","0.001","10.4114","0.0011","20.191","0.002","90","","90","","90","","1900.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4R)-(-)-3-Hydroxymethyl-4-phenyl-2-o-toluoyl-1,2,3,4-tetrahydroisoquinoline","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","1","TK2023","Gzella, Andrzej; Chrzanowska, Maria; Dreas, Agnieszka; Kaczmarek, Michał S.; Woźniak, Zenon","(3<i>R</i>,4<i>R</i>)-(‒)-3-Hydroxymethyl-4-phenyl-2-<i>o</i>-toluoyl-1,2,3,4-tetrahydroisoquinoline","Acta Crystallographica Section E","2006","62","5","o1774","o1776","10.1107/S1600536806012189","","","1.54178","CuKα","","0.031","0.029","","","0.086","0.087","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209019","6.246","0.0012","9.0416","0.0018","25.132","0.005","90","","90","","90","","1419.3","0.5","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dehydrodeoxyartemisinin","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","TK2026","Li, Shu-Hui; Yue, Zheng-Yu; Gao, Po; Yan, Peng-Fei","9,10-Dehydrodeoxyartemisinin","Acta Crystallographica Section E","2006","62","5","o1898","o1900","10.1107/S1600536806013109","","","0.71073","MoKα","","0.04","0.035","","","0.098","0.101","","","","","","1.09","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209020","4.419","0.001","8.639","0.002","22.26","0.005","90","","90","","90","","849.8","0.3","123","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Amino-1,2,3,4-tetrahydroquinazoline-2,4-dithione","","- C8 H7 N3 S2 -","- C8 H7 N3 S2 -","- C32 H28 N12 S8 -","4","1","TK2029","Yang, Kai-Bin; Lin, Li-Rong; Huang, Rong-Bin; Zheng, Lan-Sun","7-Amino-1,2,3,4-tetrahydroquinazoline-2,4-dithione","Acta Crystallographica Section E","2006","62","5","o1938","o1940","10.1107/S1600536806013535","","","0.71073","MoKα","","0.04","0.039","","","0.095","0.096","","","","","","1.17","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209037","9.492","0.002","14.909","0.004","16.354","0.004","90","","90","","90","","2314.4","1","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1β,7β-dihydroxy-6β,15β-diacetoxy-16α,17:7α,20-diepoxy-ent-kaurane","","- C24 H36 O9 -","- C24 H36 O9 -","- C96 H144 O36 -","4","1","WN2013","He, Zhi-An; Zhang, Ji-Xia; Bai, Su-Ping","An <i>ent</i>-kaurane diterpenoid from <i>Isodon japonica</i>","Acta Crystallographica Section E","2006","62","5","o2021","o2023","10.1107/S1600536806014474","","","0.71073","MoKα","","0.0555","0.039","","","0.0827","0.0872","","","","","","0.955","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209039","5.6553","0.0011","15.754","0.003","21.191","0.004","90","","90","","90","","1888","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,5-Bis(4-chlorophenyl)-3-(4-pyridyl)pentane-1,5-dione","","- C22 H17 Cl2 N O2 -","- C22 H17 Cl2 N O2 -","- C88 H68 Cl8 N4 O8 -","4","1","WN2015","Qiu, Xiao-Yang; Liu, Wei-Sheng; Zhu, Hai-Liang","1,5-Bis(4-chlorophenyl)-3-(4-pyridyl)pentane-1,5-dione","Acta Crystallographica Section E","2006","62","5","o1826","o1827","10.1107/S1600536806012694","","","0.71073","MoKα","","0.1252","0.0372","","","0.0855","0.102","","","","","","0.757","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209050","6.886","0.001","13.382","0.001","17.872","0.002","90","","90","","90","","1646.9","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,5-Dimethy-4-[(2-nitrobenzylidene)amino]-2-phenyl-1H-pyrazol-3(4H)-one","","- C18 H16 N4 O3 -","- C18 H16 N4 O3 -","- C72 H64 N16 O12 -","4","1","XU2021","Li, Zong-Xiao; Zhang, Xin-Li","1,5-Dimethy-4-[(2-nitrobenzylidene)amino]-2-phenyl-1<i>H</i>-pyrazol-3(4<i>H</i>)-one","Acta Crystallographica Section E","2006","62","5","o1738","o1739","10.1107/S1600536806011743","","","0.71073","MoKα","","0.081","0.04","","","0.076","0.087","","","","","","0.844","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209057","9.5134","0.0008","14.718","0.001","18.591","0.002","90","","90","","90","","2603.1","0.4","161","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(2,6-Diisopropylphenyl)-<i>N</i>-(1-phenylvinyl)amide-zirconocene chloride","Chloro[<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-(1- phenylvinyl)amide]bis(η^5^-cyclopentadienyl)zirconium","","- C30 H34 Cl N Zr -","- C30 H34 Cl N Zr -","- C120 H136 Cl4 N4 Zr4 -","4","1","YA6282","Rupert, Benjamin L.; Arnold, John; Krajete, Alexander","Chlorobis(η^5^-cyclopentadienyl)[<i>N</i>-(2,6-diisopropylphenyl)-<i>N</i>-(1-phenylvinyl)amide]zirconium(IV)","Acta Crystallographica Section E","2006","62","5","m950","m951","10.1107/S1600536806011007","","","0.7107","MoKα","","0.065","0.039","","0.045","","0.039","","","","","","1.09","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2209076","7.1625","0.0011","12.68","0.002","19.573","0.005","90","","90","","90","","1777.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,10-phenanthroline‒(L)-(+)-tartaric acid‒water (1/1/3)","","- C16 H20 N2 O9 -","- C16 H20 N2 O9 -","- C64 H80 N8 O36 -","4","1","BH2009","Wang, Zi-Liang; Li, Ming-Xue; Wei, Lin-Heng; Wang, Jing-Ping","1,10-Phenanthroline (2<i>R</i>,3<i>R</i>)-tartaric acid trihydrate","Acta Crystallographica Section E","2006","62","6","o2508","o2509","10.1107/S1600536806018824","","","0.71073","MoKα","","0.0704","0.0529","","","0.1306","0.1395","","","","","","1.057","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209090","5.4549","0.0006","9.176","0.001","40.718","0.003","90","","90","","90","","2038.1","0.3","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","malabaricone-D","1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)nonan-1-one monohydrate","","- C21 H28 O6 -","- C21 H28 O6 -","- C84 H112 O24 -","4","1","BT2058","Bauri, A. K.; Nayak, S. K.; Foro, Sabine; Lindner, Hans-Jörg","Malabaricone C monohydrate","Acta Crystallographica Section E","2006","62","6","o2202","o2203","10.1107/S1600536806015273","","","1.5418","CuKα","","0.051","0.0476","","","0.1334","0.1369","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209092","11.821","0.005","15.426","0.006","17.145","0.007","90","","90","","90","","3126","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrabutylammonium bis(2-amidobenzenethiolato-κ^2^S,N)oxorhenate(V)","","- C28 H46 N3 O Re S2 -","- C28 H46 N3.004 O Re S2.004 -","- C112 H184 N12.016 O4 Re4 S8.016 -","4","1","BT2062","Ewa Gniazdowska; Werner Kraus; Franziska Emmerling; Hartmut Spies; Holger Stephan","Tetrabutylammonium bis(2-amidobenzenethiolato-κ^2^<i>S</i>,<i>N</i>)oxorhenate(V)","Acta Crystallographica Section E","2006","62","6","m1197","m1199","10.1107/S160053680601511X","","","0.71073","MoKα","","0.152","0.0526","","","0.1043","0.1249","","","","","","0.841","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209124","6.155","0.001","6.828","0.001","21.099","0.003","90","","90","","90","","886.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-valinium chloride monohydrate","","- C5 H14 Cl N O3 -","- C5 H14 Cl N O3 -","- C20 H56 Cl4 N4 O12 -","4","1","CI2050","Mei-Chao Li; Chen-Shui Lin; Ya-Qin Li; Lin He; Zhi-Min Jin","Redetermination of <small>L</small>-valinium chloride monohydrate","Acta Crystallographica Section E","2006","62","6","o2235","o2236","10.1107/S1600536806016497","","","0.71073","MoKα","","0.0433","0.0355","","","0.0809","0.0832","","","","","","0.973","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209125","8.0046","0.0004","17.4763","0.0009","19.6133","0.001","90","","90","","90","","2743.7","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","16-[4-(3-Chloropropoxy)-3-methoxybenzylidene]-4-androstene-3,17-dione","","- C30 H37 Cl O4 -","- C30 H37 Cl O4 -","- C120 H148 Cl4 O16 -","4","1","CI2057","Sundar, T. V.; Parthasarathi, V.; Bansal, Ranju; Ravikumar, K.; Sridhar, B.","16-[4-(3-Chloropropoxy)-3-methoxybenzylidene]-4-androstene-3,17-dione","Acta Crystallographica Section E","2006","62","6","o2190","o2192","10.1107/S1600536806015133","","","0.71073","MoKα","","0.0822","0.0558","","","0.1354","0.1533","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2209129","7.9967","0.0006","10.6591","0.0008","14.5696","0.001","90","","90","","90","","1241.88","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R,4S,5S)-1,2,4,8,8-pentamethyl-3-thiabicyclo[3.2.1]octane 3,3-dioxide","","- C12 H22 O2 S -","- C12 H22 O2 S -","- C48 H88 O8 S4 -","4","1","CS2003","Xin-Liang Li; Yuan Gui; Kun Huang; Yi-Zhi Li; Zhi-Zhen Huang","(1<i>R</i>,2<i>R</i>,4<i>S</i>,5<i>S</i>)-1,2,4,8,8-Pentamethyl-3-thiabicyclo[3.2.1]octane 3,3-dioxide","Acta Crystallographica Section E","2006","62","6","o2411","o2412","10.1107/S1600536806016655","","","0.71073","MoKα","","0.043","0.0364","","","0.0835","0.0869","","","","","","1.069","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209136","12.402","0.002","13.479","0.003","19.44","0.004","90","","90","","90","","3249.7","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-Methyl 2-(4,5-dibromo-1H-pyrrole-2-carboxamido)-4-methylpentanoate","","- C12 H16 Br2 N2 O3 -","- C12 H16 Br2 N2 O3 -","- C96 H128 Br16 N16 O24 -","8","2","CV2043","Li-Hong Li; Xiang-Chao Zeng; Po-Run Liu","(<i>S</i>)-Methyl 2-(4,5-dibromo-1<i>H</i>-pyrrole-2-carboxamido)-4-methylpentanoate","Acta Crystallographica Section E","2006","62","6","o2106","o2107","10.1107/S1600536806015091","","","0.71073","MoKα","","0.1788","0.0545","","","0.1171","0.1728","","","","","","1.021","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209141","5.715","0.003","15.848","0.008","21.386","0.011","90","","90","","90","","1937","1.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,5-Bis(4-methylphenyl)-3-phenylpentane-1,5-dione","","- C25 H24 O2 -","- C25 H24 O2 -","- C100 H96 O8 -","4","1","CV2049","Lei Huang; Xian-Qiang Huang; Dong-Yan Xu; Jian-Min Dou; Da-Cheng Li","1,5-Bis(4-methylphenyl)-3-phenylpentane-1,5-dione","Acta Crystallographica Section E","2006","62","6","o2425","o2426","10.1107/S160053680601823X","","","0.71073","MoKα","","0.0995","0.0423","","","0.0981","0.1256","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209144","4.9431","0.0001","7.522","0.0001","27.2779","0.0005","90","","90","","90","","1014.25","0.03","100","0.1","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Modiolide A","5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","CV2053","Hoong-Kun Fun; Weraphol Bhilabutra; Pittaya Tuntiwachwuttikul; Suchada Chantrapromma","5,8-Dihydroxy-10-methyl-5,8,9,10-tetrahydro-2<i>H</i>-oxecin-2-one","Acta Crystallographica Section E","2006","62","6","o2478","o2480","10.1107/S1600536806018368","","","0.71073","MoKα","","0.0378","0.0344","","","0.0983","0.1118","","","","","","1.249","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209148","9.8595","0.0009","14.648","0.0014","18.3738","0.0017","90","","90","","90","","2653.6","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-pent-4-enylglycine-Ni-(R)-BPB","[N-({(R)-2-[(N-Benzylprolyl)amino]phenyl}phenylmethylene)-2(S)- (pent-4-enyl)glycinato]nickel(II)","","- C32 H33 N3 Ni O3 -","- C32 H33 N3 Ni O3 -","- C128 H132 N12 Ni4 O12 -","4","1","DN2019","Carducci, Michael D.; Gu, Xuyuan; Cole, Jenine R.; Hruby, Victor J.","[<i>N</i>-({(<i>R</i>)-2-[(<i>N</i>-Benzylprolyl)amino]phenyl}phenylmethylene)-2(<i>S</i>)-(pent-4-enyl)glycinato]nickel(II)","Acta Crystallographica Section E","2006","62","6","m1219","m1220","10.1107/S160053680601244X","","","0.71073","MoKα","","0.0668","0.0479","","","0.0777","0.0824","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209230","8.39","0.005","11.547","0.007","11.737","0.007","90","","90","","90","","1137.1","1.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(6-Chloropyridin-3-ylmethyl)-1H-benzoimidazole","","- C13 H10 Cl N3 -","- C13 H10 Cl N3 -","- C52 H40 Cl4 N12 -","4","1","JH2015","Ming-Yi Cai; Zhong Li; Gong-Hua Song; Tao Yu; Ying-Li Wu","1-(6-Chloropyridin-3-ylmethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2006","62","6","o2374","o2376","10.1107/S1600536806017909","","","0.71073","MoKα","","0.0434","0.037","","","0.089","0.0919","","","","","","1.044","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209238","5.2411","0.0008","10.2928","0.0016","16.76","0.003","90","","90","","90","","904.1","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl 3-amino-3-N,4-O-carbonyl-2,3,6-trideoxy-α-L-lyxo-hexopyranoside","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","1","KP2023","Mendlik, Matthew T.; Coleman, Robert S.; Qi, Guizhong; Lowary, Todd L.; McDonald, Robert","Methyl 3-amino-3-<i>N</i>,4-<i>O</i>-carbonyl-2,3,6-trideoxy-α-<small>L</small>-<i>lyxo</i>-hexopyranoside","Acta Crystallographica Section E","2006","62","6","o2490","o2492","10.1107/S160053680601840X","","","0.71073","MoKα","","0.0483","0.0346","","","0.0739","0.0792","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209239","8.3801","0.0002","12.5398","0.0002","12.6852","0.0002","90","","90","","90","","1333.02","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(-)-isosantonic acid","(1R,3aS,6aS,7R,9S)-(-)-α,3a,7-trimethyl-5,8-dioxo-1,4- ethanoperhydropentalene-1-acetic acid'","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","LH2039","Zinczuk, Juan; Ruveda, Edmundo A.; Lalancette, Roger A.; Thompson, Hugh W.","(‒)-Isosantonic acid: alteration of the hydrogen-bonding mode by configurational inversion at a single centre in a γ,ε-diketocarboxylic acid","Acta Crystallographica Section E","2006","62","6","o2120","o2122","10.1107/S160053680601405X","","","1.54178","CuKα","","0.025","0.025","","","0.066","0.066","","","","","","0.979","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209244","6.4916","0.0005","7.4037","0.0005","23.818","0.002","90","","90","","90","","1144.74","0.15","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Amino-(1-methylphenyl)pyridinium bromide","","- C12 H13 Br N2 -","- C12 H13 Br N2 -","- C48 H52 Br4 N8 -","4","1","LH2058","Seethalakshmi, T.; Kaliannan, P.; Venkatesan, P.; Fronczek, F. R.; Thamotharan, S.","4-Amino-(1-methylphenyl)pyridinium bromide","Acta Crystallographica Section E","2006","62","6","o2353","o2355","10.1107/S1600536806017326","","","0.71073","MoKα","","0.0242","0.0217","","","0.0489","0.0501","","","","","","1.067","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209254","6.242","0.009","10.814","0.015","19.79","0.03","90","","90","","90","","1336","3","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclo(L-isoleucyl-L-isoleucyl)","(3S,6S)-3,6-bis(S-sec-butyl)-2,5-piperazine-2,5-dione","","- C12 H22 N2 O2 -","- C12 H22 N2 O2 -","- C48 H88 N8 O8 -","4","1","LH2073","Görbitz, Carl Henrik; Hartviksen, Lars Male","Cyclo(<small>L</small>-isoleucyl-<small>L</small>-isoleucyl)","Acta Crystallographica Section E","2006","62","6","o2358","o2360","10.1107/S1600536806017338","","","0.71073","MoKα","","0.0431","0.0361","","","0.0934","0.1057","","","","","","1.087","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209269","6.314","0.003","9.785","0.003","17.289","0.006","90","","90","","90","","1068.2","0.7","298","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-6-Amino-2-(2-thienyl)-1,4-thiazepan-5-one","","- C9 H12 N2 O S2 -","- C9 H12 N2 O S2 -","- C36 H48 N8 O4 S8 -","4","1","OB2015","Dan-Hua Wang; Yuan-Jiang Pan; Xiu-Rong Hu","(2<i>R,6{ıt S)-</i>}6-Amino-2-(2-thienyl)-1,4-thiazepan-5-one","Acta Crystallographica Section E","2006","62","6","o2337","o2338","10.1107/S1600536806017223","","","0.71075","MoKα","","","0.0254","","","","0.069","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209273","8.599","0.004","12.951","0.006","27.252","0.012","90","","90","","90","","3035","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-Nomilin chloroform solvate","","- C29 H34 Cl3 O9 -","- C29 H34 Cl3 O9 -","- C116 H136 Cl12 O36 -","4","1","OB3006","Ying Zhang; Xiao-Bing Wang; Ling-Yi Kong","(‒)-Nomilin chloroform solvate","Acta Crystallographica Section E","2006","62","6","o2502","o2504","10.1107/S1600536806018812","","","0.71073","MoKα","","0.1095","0.0535","","","0.129","0.1648","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2209284","12.4352","0.0007","14.7412","0.0008","16.5795","0.0009","90","","90","","90","","3039.2","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[1,3-bis(pentafluorophenyl)triazenido]tricarbonylosmium","","- C27 F20 N6 O3 Os -","- C27 F20 N6 O3 Os -","- C108 F80 N24 O12 Os4 -","4","1","RN6079","Sun, Bai-Wang; Liu, Hui; Yang, Guo-Ying; Ang. Siau Gek; Ang, How Ghee","Bis[1,3-bis(pentafluorophenyl)triazenido]tricarbonylosmium(II)","Acta Crystallographica Section E","2006","62","6","m1329","m1331","10.1107/S1600536806017430","","","0.71073","MoKα","","0.0238","0.0222","","","0.0553","0.0654","","","","","","1.096","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209291","7.251","0.004","14.756","0.009","20.55","0.02","90","","90","","90","","2199","3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ophiobolin A","(2'S,3'S,3aR,5'R,6aS,9R,9aS,10aR)-1,3a,4,4',5',6a,7,8,9,9a,10,10a- dodecahydro-9-hydroxy-3',9,10a-trimethyl-5'-(2-methylpropen-1-yl)-7- oxospiro[dicyclopenta[a,d]cyclooctene-3(2H),2'(3'H)-furan]-6-carbaldehyde","","- C25 H36 O4 -","- C25 H36 O4 -","- C100 H144 O16 -","4","1","RZ2027","Anna Andolfi; Antonio Evidente; Antonello Santini; Angela Tuzi","Ophiobolin A","Acta Crystallographica Section E","2006","62","6","o2195","o2197","10.1107/S1600536806015807","","","0.71073","MoKα","","0.1198","0.0538","","","0.0916","0.1136","","","","","","1.035","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209320","8.289","0.0017","8.388","0.0017","30.875","0.006","90","","90","","90","","2146.7","0.7","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","magnolin","1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)perhydrofuro[3,4-c]furan","","- C23 H28 O7 -","- C23 H28 O7 -","- C92 H112 O28 -","4","1","SJ2068","Li Zhang; Yang Lu; Qi-Tai Zheng","1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)perhydrofuro[3,4-<i>c</i>]furan","Acta Crystallographica Section E","2006","62","6","o2460","o2461","10.1107/S1600536806018460","","","0.71073","MoKα","","0.0542","0.052","","","0.15","0.154","","","","","","1.157","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209324","5.5319","0.0009","8.6962","0.0014","19.364","0.004","90","","90","","90","","931.5","0.3","297","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-1-Phenylethanaminium bromide","","- C8 H12 Br N -","- C8 H12 Br N -","- C32 H48 Br4 N4 -","4","1","SJ2077","Andreas Fischer","(<i>R</i>)-1-Phenylethanaminium bromide","Acta Crystallographica Section E","2006","62","6","o2556","o2557","10.1107/S1600536806019362","","","0.71073","MoKα","","0.088","0.049","","","0.071","0.081","","","","","","1.16","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209328","6.163","0.0006","6.9607","0.0005","18.3251","0.001","90","","90","","90","","786.12","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sulfanilic acid monohydrate","sulfanilic acid monohydrate","","- C6 H9 N O4 S -","- C6 H9 N O4 S -","- C24 H36 N4 O16 S4 -","4","1","TK2027","Afroza Banu; G. M. Golzar Hossain","A new polymorph of sulfanilic acid monohydrate","Acta Crystallographica Section E","2006","62","6","o2252","o2253","10.1107/S1600536806016060","","","0.71073","MoKα","","0.047","0.035","","","0.087","0.092","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209335","7.499","0.002","15.365","0.005","15.647","0.004","90","","90","","90","","1802.9","0.9","298","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","13-Methyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro- 1H-cyclopenta[a]phenanthren-17-yl 2-chloroacetate","","- C20 H25 Cl O3 -","- C20 H25 Cl O3 -","- C80 H100 Cl4 O12 -","4","1","TK2040","Ji-Zhong Yan; Jian Li; Guo-Wu Rao","13-Methyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl 2-chloroacetate","Acta Crystallographica Section E","2006","62","6","o2442","o2443","10.1107/S1600536806018708","","","0.71075","MoKα","","","0.036","","","","0.066","","","","","","1.01","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209337","7.218","0.002","12.896","0.003","18.531","0.005","90","","90","","90","","1724.9","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-(3'R)-Angeroyloxy-4'-oxo-3',4'-dihydroseselin","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","WK2011","Xiao-Bing Wang; Yun-Rong Shi; Ling-Yi Kong","(+)-(3'<i>R</i>)-Angeloxyloxy-4'-oxo-3',4'-dihydroseselin (Pd‒Ib)","Acta Crystallographica Section E","2006","62","6","o2505","o2507","10.1107/S1600536806018745","","","0.71073","MoKα","","0.0876","0.0413","","","0.0937","0.1191","","","","","","1.008","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209383","5.2216","0.0002","14.3035","0.0006","19.6163","0.0008","90","","90","","90","","1465.09","0.1","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Compound 1; carbamate 5; AZ12342995","tert-Butyl[(1S)-3-chloro-1-(3,5-difluorophenyl)propyl]carbamate","","- C14 H18 Cl F2 N O2 -","- C14 H18 Cl F2 N O2 -","- C56 H72 Cl4 F8 N4 O8 -","4","1","BH2019","Ertan, Anne","(1<i>S</i>)-<i>tert</i>-Butyl [3-chloro-1-(3,5-difluorophenyl)propyl]carbamate: structure and absolute configuration","Acta Crystallographica Section E","2006","62","7","o3059","o3061","10.1107/S1600536806021349","","","0.71073","MoKα","","0.106","0.0385","","","0.0806","0.0908","","","","","","0.848","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209405","14.065","0.001","30.189","0.002","5.6414","0.0003","90","","90","","90","","2395.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1E,3E)-4-(Tetra-O-acetyl-D-arabino-tetritol-1-yl)-1-(4-tolyl)-1,2-diaza- 1,3-butadiene","","- C21 H26 N2 O8 -","- C21 H26 N2 O8 -","- C84 H104 N8 O32 -","4","1","BT2095","María Jesús Diánez; María Dolores Estrada; Simeón Pérez-Garrido","(1<i>E</i>,3<i>E</i>)-4-(Tetra-<i>O</i>-acetyl-<small>D</small>-<i>arabino</i>-tetritol-1-yl)-1-(4-tolyl)-1,2-diaza-1,3-butadiene","Acta Crystallographica Section E","2006","62","7","o2811","o2812","10.1107/S1600536806021428","","","0.71069","MoKα","","","0.0459","","","","0.1662","","","","","","0.969","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209433","9.706","0.0014","12.0125","0.0012","16.2342","0.0013","90","","90","","90","","1892.8","0.4","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Benzoyl-N,N'-dicyclohexylurea","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","BX2008","Orea Flores, Ma. Laura; Galindo Guzmán, Alberto; Gnecco Medina, Dino; Bernès, Sylvain","<i>N</i>-Benzoyl-<i>N</i>,<i>N</i>'-dicyclohexylurea","Acta Crystallographica Section E","2006","62","7","o2922","o2923","10.1107/S1600536806022173","","","0.71073","MoKα","","0.0577","0.0365","","","0.0809","0.0917","","","","","","1.056","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209437","6.1419","0.0012","7.0145","0.0013","31.244","0.004","90","","90","","90","","1346.1","0.4","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 4-<i>O</i>-pivaloyl-β-<i>D</i>-xylopyranoside","","- C11 H20 O6 -","- C11 H20 O6 -","- C44 H80 O24 -","4","1","CF2030","Vesna Petrović; Ivan Halasz; Srđanka Tomić; Dubravka Matković Čalogović","Methyl 4-<i>O</i>-pivaloyl-β-<small>D</small>-xylopyranoside","Acta Crystallographica Section E","2006","62","7","o2746","o2748","10.1107/S1600536806021052","","","0.71073","MoKα","","0.0655","0.0513","","","0.1474","0.1587","","","","","","1.089","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209460","11.249","0.002","10.506","0.002","10.376","0.002","90","","90","","90","","1226.3","0.4","293","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-2-Acetyl-3-hydroxy-N-phenylbut-2-enethioamide","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","1","CV2062","Hai-Lian Xiao; Fang-Fang Jian","(<i>E</i>)-2-Acetyl-3-hydroxy-<i>N</i>-phenylbut-2-enethioamide","Acta Crystallographica Section E","2006","62","7","o2854","o2855","10.1107/S1600536806020216","","","0.71073","MoKα","","0.0636","0.0475","","","0.1325","0.146","","","","","","0.938","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209475","7.4389","0.0019","10.599","0.004","27.299","0.008","90","","90","","90","","2152.4","1.2","298.1","","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11,11a,13a-Trimethyl-2,3,3a,3b,4,5,5a,6,11,11a,11b,12,13,13a- tetradecahydro-1<i>H</i>-7-azaindeno[5,4-<i>a</i>]anthracen-1-ol methanol solvate","","- C24 H37 N O2 -","- C24 H37 N O2 -","- C96 H148 N4 O8 -","4","1","DN2042","Ji-Zhong Yan; Jian Li; Guo-Wu Rao","11,11a,13a-Trimethyl-2,3,3a,3b,4,5,5a,6,11,11a,11b,12,13,13a-tetradecahydro-1<i>H</i>-7-azaindeno[5,4-<i>a</i>]anthracen-1-ol methanol solvate","Acta Crystallographica Section E","2006","62","7","o2773","o2774","10.1107/S1600536806021301","","","0.71075","MoKα","","0.0615","0.0467","","","0.1142","0.1186","","","","","","1.039","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209502","6.853","0.003","8.789","0.004","21.537","0.009","90","","90","","90","","1297.2","1","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3aR,8bR)-(+)-1-Methyl-1,2,3,3a,4,8b- hexahydropyrrolo[2',3':3,4]cyclopenta[1,2-b]pyridine-1,5-diium dichloride monohydrate","","- C11 H18 Cl2 N2 O -","- C11 H18 Cl2 N2 O -","- C44 H72 Cl8 N8 O4 -","4","1","GK2008","Ullrich, Thomas; Pyerin, Michael; Mereiter, Kurt","(3a<i>R</i>,8b<i>R</i>)-(+)-1-Methyl-1,2,3,3a,4,8b-hexahydropyrrolo[2',3':3,4]cyclopenta[1,2-<i>b</i>]pyridine-1,5-diium dichloride monohydrate","Acta Crystallographica Section E","2006","62","7","o2958","o2960","10.1107/S1600536806022367","","","0.71073","MoKα","","0.0728","0.0511","","","0.086","0.0921","","","","","","1.116","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209518","6.0852","0.0004","7.375","0.0006","26.598","0.002","90","","90","","90","","1193.67","0.15","291","1","291","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(R)-(tert-Butylvinylphosphinoyl)benzene","","- C12 H17 O P -","- C12 H17 O P -","- C48 H68 O4 P4 -","4","1","HB2080","Szmigielska, Anna; Pietrusiewicz, K. Michal; Ricken, Stefan; Schürmann, Markus; Preut, Hans; Eilbracht, Peter","(+)-(<i>R</i>)-(<i>tert</i>-Butylvinylphosphinoyl)benzene","Acta Crystallographica Section E","2006","62","7","o2953","o2954","10.1107/S1600536806021982","","","0.71073","MoKα","","0.0616","0.0333","","","0.0465","0.0486","","","","","","0.816","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209525","13.165","0.001","13.4984","0.001","38.507","0.003","90","","90","","90","","6842.9","0.9","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4-Aminobenzoato)tris(2-methyl-2-phenylpropyl)tin(IV)","","- C37 H45 N O2 Sn -","- C37 H45 N O2 Sn -","- C296 H360 N8 O16 Sn8 -","8","2","HB2093","Ding, Yang-Jun; Zhao, Xia; Sun, Yu-Xi; Tian, Lai-Jin","(4-Aminobenzoato)tris(2-methyl-2-phenylpropyl)tin(IV)","Acta Crystallographica Section E","2006","62","7","m1673","m1674","10.1107/S1600536806024044","","","0.71073","MoKα","","0.0555","0.0471","","","0.1014","0.1048","","","","","","1.159","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209546","5.2764","0.0011","11.5152","0.0018","26.639","0.003","90","","90","","90","","1618.6","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate","","- C18 H18 O7 -","- C18 H18 O7 -","- C72 H72 O28 -","4","1","HK2055","Yu, Quan-Lin; Duan, Hong-Quan; Gao, Wen-Yuan","3-Hydroxy-5,7,4'-trimethoxyflavone monohydrate from <i>Cucubalus baccifier</i> (L.)","Acta Crystallographica Section E","2006","62","7","o2910","o2911","10.1107/S1600536806022392","","","0.7107","MoKα","","0.0591","0.0532","","","0.1396","0.144","","","","","","1.206","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209548","9.189","0.0018","11.483","0.002","15.449","0.003","90","","90","","90","","1630.1","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,9-Diphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","HK2057","Dong-Ying Yan; Ji-Kui Wang; Li-Juan Liu; Shan Liu; Jin-Tang Wang","3,9-Diphenyl-2,4,8,10-tetraoxaspiro[5.5]undecane","Acta Crystallographica Section E","2006","62","7","o3062","o3063","10.1107/S160053680602397X","","","0.71073","MoKα","","0.0687","0.042","","","0.0935","0.1076","","","","","","0.986","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209566","8.7388","0.0003","14.02","0.0008","15.9341","0.0007","90","","90","","90","","1952.21","0.16","295","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1'S,2'S,5'<i>R</i>)-3-(2-Bromopropionyl)-2'-isopropyl-5'- methylspiro[2<i>H</i>-1,3-benzoxazine-2,1'-cyclohexan]-4(3<i>H</i>)-one","","- C20 H26 Br N O3 -","- C20 H26 Br N O3 -","- C80 H104 Br4 N4 O12 -","4","1","JH2017","Yuan, Qing; Lei, Ming","(1'<i>S</i>,2'<i>S</i>,5'<i>R</i>)-3-(2-Bromopropionyl)-2'-isopropyl-5'-methylspiro[2<i>H</i>-1,3-benzoxazine-2,1'-cyclohexan]-4(3<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o3011","o3012","10.1107/S1600536806017296","","","0.71069","MoKα","","","0.0315","","","","0.0692","","","","","","1.041","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209567","9.765","0.002","11.552","0.002","18.796","0.004","90","","90","","90","","2120.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(-)-6-(4-Aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","2","JH2018","Zhang, Chun-Tao; Wu, Jie-Hua; Zhou, Li-Na; Wang, Yong-Li; Wang, Jing-Kang","(<i>R</i>)-(‒)-6-(4-Aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2006","62","7","o2999","o3000","10.1107/S1600536806022409","","","0.71073","MoKα","","0.0672","0.0458","","","0.116","0.1277","","","","","","1.042","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209586","5.7376","0.0006","9.389","0.0009","16.2562","0.0016","90","","90","","90","","875.73","0.15","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl 2,3-amino-3-N,4-O-carbonyl-2,3-N-cyclo-2,3,6-trideoxy-α-L-allopyranoside","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","LH2066","Mendlik, Matthew T.; Coleman, Robert S.; Qi, Guizhong; Lowary, Todd L.; McDonald, Robert","Methyl 2,3-amino-3-<i>N</i>,4-<i>O</i>-carbonyl-2,3-<i>N</i>-<i>cyclo</i>-2,3,6-trideoxy-β-<small>L</small>-allopyranoside","Acta Crystallographica Section E","2006","62","7","o2573","o2575","10.1107/S1600536806016709","","","0.71073","MoKα","","0.031","0.0294","","","0.0808","0.0823","","","","","","1.073","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209592","6.3749","0.0005","9.9173","0.0007","13.601","0.001","90","","90","","90","","859.88","0.11","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2,3-amino-3-N,4-O-carbonyl-2,3-N-cyclo-2,3,6-trideoxy-α-L- allopyranoside","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","LH2087","Mendlik, Matthew T.; Coleman, Robert S.; Qi, Guizhong; Lowary, Todd L.; Ferguson, Michael J.","Methyl 2,3-amino-3-<i>N</i>,4-<i>O</i>-carbonyl-2,3-<i>N</i>-<i>cyclo</i>-2,3,6-trideoxy-α-<small>L</small>-allopyranoside","Acta Crystallographica Section E","2006","62","7","o2576","o2577","10.1107/S1600536806019507","","","0.71073","MoKα","","0.0336","0.0323","","","0.0881","0.0896","","","","","","1.086","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209607","16.023","0.007","20.624","0.005","5.493","0.008","90","","90","","90","","1815","3","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[3-Dicyanomethylene-2-(3-methoxybenzylidene)indan-1-ylidene]malononitrile","","- C23 H12 N4 O -","- C23 H12 N4 O -","- C92 H48 N16 O4 -","4","1","LH2104","Palusiak, Marcin; Plażuk, Damian; Zakrzewski, Janusz","2-[3-Dicyanomethylene-2-(3-methoxybenzylidene)indan-1-ylidene]malononitrile","Acta Crystallographica Section E","2006","62","7","o3052","o3053","10.1107/S1600536806023506","","","0.71073","MoKα","","","0.031","","","","0.0652","","","","","","1.04","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209612","8.725","0.002","11.641","0.003","19.313","0.005","90","","90","","90","","1961.6","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-N-[(R)-1-(2-Hydroxy-5-methylphenyl)propyl]-N-[(R)-2-methyl-1- phenylpropyl]ammonium chloride","","- C20 H28 Cl N O -","- C20 H28 Cl N O -","- C80 H112 Cl4 N4 O4 -","4","1","OB2018","Xiao-Feng Yang; Da-Qi Wang; Guang-You Zhang; Takuji Hirose","(+)-<i>N</i>-[(<i>R</i>)-1-(2-Hydroxy-5-methylphenyl)propyl]-<i>N</i>-[(<i>R</i>)-2-methyl-1-phenylpropyl]ammonium chloride","Acta Crystallographica Section E","2006","62","7","o2622","o2624","10.1107/S1600536806020848","","","0.71073","MoKα","","0.0635","0.0392","","","0.0858","0.1016","","","","","","1.052","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209624","8.451","0.0006","9.398","0.0011","33.404","0.003","90","","90","","90","","2653","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","","","(23S,25R)-3β,23-Dihydroxy-5-spirosten-3-yl acetate","","- C29 H44 O5 -","- C29 H44 O5 -","- C116 H176 O20 -","4","1","OB3007","Flores- Alamo, Marcos; Benitez-Montelongo, Montserrat; Moreno-Esparza, Rafael; Iglesias-Arteaga, Martin A.","(23<i>S</i>,25<i>R</i>)-3β,23-Dihydroxy-5-spirosten-3-yl acetate","Acta Crystallographica Section E","2006","62","7","o2805","o2806","10.1107/S1600536806020265","","","0.71073","MoKα","","0.0812","0.044","","","0.0879","0.1028","","","","","","1.059","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209635","7.9166","0.0009","9.741","0.001","17.435","0.003","90","","90","","90","","1344.5","0.3","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methoxy rutaretin","2,3-dihydro-2-(1-hydroxy-1-methylethyl)-9-methoxy-7H-furo[3,2-g][1]benzopyran- 7-one","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","RZ2038","Bauri, A. K.; Foro, Sabine; Lindner, Hans J.; Nayak, S. K.","Methoxyrutaretin, a bioactive furanocoumarin isolated from <i>Trachyspermum stictocarpum</i>","Acta Crystallographica Section E","2006","62","7","o2900","o2901","10.1107/S1600536806021891","","","1.5418","CuKα","","0.031","0.0299","","","0.0849","0.0857","","","","","","1.054","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209654","6.9983","0.0012","8.0652","0.0014","23.898","0.004","90","","90","","90","","1348.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(ethylammonium) tartrate monohydrate","","- C8 H22 N2 O7 -","- C8 H22 N2 O7 -","- C32 H88 N8 O28 -","4","1","SJ2063","Wang, Zi-Liang; Wei, Lin-Heng; Li, Ming-Xue; Wang, Jing-Ping","Bis(ethylammonium) (‒)-(2<i>S</i>,3<i>S</i>)-tartrate monohydrate","Acta Crystallographica Section E","2006","62","7","o2691","o2693","10.1107/S1600536806018435","","","0.71073","MoKα","","0.0464","0.0443","","","0.1071","0.1089","","","","","","1.074","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209656","8.7347","0.0006","15.2145","0.001","26.9055","0.0019","90","","90","","90","","3575.6","0.4","173","1","173","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","(Λ)-[(R,R)-2,6-Bis-(2-phenyl-4,5-dihydro-oxazol-4-ylmethoxymethyl)- pyridine]zinc(II) trifluoromethanesulfonate dichloromethane solvate","","- C30 H29 Cl2 F6 N3 O10 S2 Zn -","- C30 H29 Cl2 F6 N3 O10 S2 Zn -","- C120 H116 Cl8 F24 N12 O40 S8 Zn4 -","4","1","SJ2075","Seitz, Michael; Zabel, Manfred; Reiser, Oliver","(Λ)-[(<i>R</i>,<i>R</i>)-2,6-Bis(2-phenyl-4,5-dihydrooxazol-4-ylmethoxymethyl)pyridine]zinc(II) bis(trifluoromethanesulfonate) dichloromethane solvate","Acta Crystallographica Section E","2006","62","7","m1517","m1518","10.1107/S1600536806021210","","","0.71073","MoKα","","0.0378","0.0346","","","0.0915","0.0933","","","","","","1.038","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209673","5.9331","0.0006","6.0141","0.0006","38.941","0.004","90","","90","","90","","1389.5","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>p</i>-Tolyl 3-amino-3-<i>N</i>,4-<i>O</i>-carbonyl-2,3,6-trideoxy-1-thio-α-L-<i>lyxo</i>-hexopyranoside","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","TK2047","Mendlik, Matthew T.; Coleman, Robert S.; Qi, Guizhong; Lowary, Todd L.; Ferguson, Michael J.","<i>p</i>-Tolyl 3-amino-3-<i>N</i>,4-<i>O</i>-carbonyl-2,3,6-trideoxy-1-thio-α-<small>L</small>-<i>lyxo</i>-hexopyranoside","Acta Crystallographica Section E","2006","62","7","o2788","o2790","10.1107/S1600536806021027","","","0.71073","MoKα","","0.034","0.031","","","0.088","0.098","","","","","","1.17","","","","has coordinates,has Fobs","218368","2020-10-21","18:00:00",""
"2209682","6.5485","0.0003","6.8987","0.0002","16.2022","0.0007","90","","90","","90","","731.95","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","aqua(hydrogen trioxoselenato)(trioxoselenato)yttrium(III) monohydrate","","- H5 O8 Se2 Y -","- H5 O8 Se2 Y -","- H20 O32 Se8 Y4 -","4","1","WM2020","Harrison, William T. A.","[Y(HSeO~3~)(SeO~3~)(H~2~O)]·H~2~O","Acta Crystallographica Section E","2006","62","7","i152","i154","10.1107/S1600536806023051","","","0.71073","MoKα","","0.0349","0.0287","","","0.0513","0.0529","","","","","","1.049","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209731","5.3798","0.0012","13.659","0.003","18.153","0.004","90","","90","","90","","1333.9","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-Acetylgoniothalamin","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","AT2055","Din, Laily B.; Sulaiman, Intan. S. C.; Yamin, Bohari M.","5-Acetylgoniothalamin","Acta Crystallographica Section E","2006","62","8","o3316","o3318","10.1107/S1600536806026651","","","0.71073","MoKα","","0.064","0.048","","","0.099","0.106","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209736","7.719","0.0015","10.155","0.002","24.316","0.005","90","","90","","90","","1906","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-phenyl-2-(2,4,5-tricyanophenylmethyl)-1H-indene","","- C25 H15 N3 -","- C25 H15 N3 -","- C100 H60 N12 -","4","1","AT2060","Jie-Qiong Huang; Zhi-Feng Lu","3-Phenyl-2-(2,4,5-tricyanophenylmethyl)-1<i>H</i>-indene","Acta Crystallographica Section E","2006","62","8","o3403","o3404","10.1107/S1600536806027152","","","0.71073","MoKα","","0.0909","0.0459","","","0.0952","0.11","","","","","","1","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209747","5.996","0.005","14.786","0.005","20.531","0.005","90","","90","","90","","1820.2","1.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-{4-[(2-Phenyl-1H-indol-3-yl)diazenyl]phenyl}acetamide","","- C22 H18 N4 O -","- C22 H18 N4 O -","- C88 H72 N16 O4 -","4","1","BH2035","Seferoğlu, Zeynel; Hökelek, Tuncer; Şahin, Ertan; Ertan, Nermin","<i>N</i>-{4-[(2-Phenyl-1<i>H</i>-indol-3-yl)diazenyl]phenyl}acetamide","Acta Crystallographica Section E","2006","62","8","o3492","o3494","10.1107/S1600536806028133","","","0.71073","MoKα","","0.1329","0.0774","","","0.137","0.1561","","","","","","1.171","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209765","15.193","0.004","7.28","0.002","7.538","0.002","90","","90","","90","","833.7","0.4","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-(-)-8-Hydroxy-3-methyl-3,4-dihydro-lH-2-benzopyran-l-one","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","BT2133","Flörke, Ulrich; Krohn, Karsten; Zia‒Ullah; Hussain, Hiayat","An orthorhombic modification of (<i>R</i>)-({-})-8-hydroxy-3-methyl-3,4-dihydro-1<i>H</i>-2-benzopyran-1-one [(<i>R</i>)-({-})-mellein]","Acta Crystallographica Section E","2006","62","8","o3539","o3541","10.1107/S1600536806026195","","","0.71073","MoKα","","0.0539","0.0462","","","0.1078","0.1104","","","","","","1.253","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209777","9.436","0.001","10.588","0.001","17.926","0.002","90","","90","","90","","1791","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Raucaffrinoline","(17R,20α,21β)-1,2-didehydro-1-demethyl-19-hydroxy-21-methyl-18- norajmalan-17-yl acetate","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","BV2020","Sabino, Jose R.; Kato, Lucilia; Braga, Raquel M.; Vencato, Ivo","Raucaffrinoline","Acta Crystallographica Section E","2006","62","8","o3181","o3183","10.1107/S1600536806024615","","","1.5418","CuKα","","0.0918","0.0398","","","0.0902","0.1074","","","","","","1.014","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209787","5.039","0.0013","13.22","0.002","15.318","0.002","90","","90","","90","","1020.4","0.3","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pyridinium tartrate","","- C9 H11 N O6 -","- C9 H11 N O6 -","- C36 H44 N4 O24 -","4","1","CI2080","J. Suresh; R. V. Krishnakumar; K. Rajagopal; S. Natarajan","Pyridinium (2<i>R</i>,3<i>R</i>)-tartrate","Acta Crystallographica Section E","2006","62","8","o3220","o3222","10.1107/S1600536806024974","","","0.71073","MoKα","","0.0614","0.0453","","","0.1317","0.1423","","","","","","1.07","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209800","10.049","0.003","11.55","0.003","18.149","0.007","90","0.02","90","0.03","90","0.02","2106.5","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β-Acetoxy-17,17-ethylenedioxy-15β,16β-methylene-5-androsten-7β-ol","","- C24 H34 O5 -","- C24 H34 O5 -","- C96 H136 O20 -","4","1","CI2100","Wei Zhou; Guang-Xiang Zhong; Wei-Xiao Hu; Chun-Nian Xia","3β-Acetoxy-17,17-ethylenedioxy-15β,16β-methylene-5-androsten-7β-ol","Acta Crystallographica Section E","2006","62","8","o3542","o3543","10.1107/S1600536806028534","","","0.71073","MoKα","","0.0929","0.044","","","0.103","0.1202","","","","","","1.122","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209806","4.0062","0.0002","13.6947","0.0009","27.53","0.002","90","","90","","90","","1510.4","0.17","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-3-(1,3-Benzodioxol-5-yl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one","","- C18 H16 O6 -","- C18 H16 O6 -","- C72 H64 O24 -","4","1","CI2112","Gao, Shan; Ng, Seik Weng","(<i>E</i>)-3-(1,3-Benzodioxol-5-yl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","8","o3517","o3518","10.1107/S1600536806028017","","","0.71073","MoKα","","0.039","0.036","","","0.099","0.102","","","","","","1.05","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209807","9.355","0.001","13.046","0.003","16.033","0.003","90","","90","","90","","1956.8","0.6","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Hydroxy-3,3,6,6-tetramethyl-9-propyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione monohydrate","","- C20 H31 N O4 -","- C20 H31 N O4 -","- C80 H124 N4 O16 -","4","1","CI2113","Xiang Zou; Shu-Jiang Tu; Fang Fang; Yan Zhang","5-Hydroxy-3,3,6,6-tetramethyl-9-propyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione monohydrate","Acta Crystallographica Section E","2006","62","8","o3510","o3511","10.1107/S1600536806028066","","","0.71073","MoKα","","0.0715","0.0391","","","0.08","0.086","","","","","","0.847","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209832","10.0509","0.0014","10.334","0.0015","14.075","0.002","90","","90","","90","","1461.9","0.4","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(4<i>R</i>,5<i>R</i>)-1,3-Dimethyl- 4,5-diphenylimidazolidin-2-one","(4R,5R)-1,3-Dimethyl-4,5-diphenylimidazolidin-2-one","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","EZ2015","Kawahata, Masatoshi; Saito, Noriko; Ishikawa, Tsutomu; Yamaguchi, Kentaro","(4<i>R</i>,5<i>R</i>)-1,3-Dimethyl-4,5-diphenylimidazolidin-2-one","Acta Crystallographica Section E","2006","62","8","o3488","o3489","10.1107/S1600536806027115","","","0.71073","MoKα","","0.037","0.032","","","0.08","0.083","","","","","","1.18","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209837","5.9624","0.0004","8.8288","0.0006","29.4086","0.0019","90","","90","","90","","1548.09","0.18","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-4,5-Diphenylimidazolidinium-2-carboxylate methanol solvate","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","FL2034","Biskupska, Inga; Gdaniec, Maria","(4<i>R</i>,5<i>R</i>)-4,5-Diphenylimidazolidinium-2-carboxylate methanol solvate","Acta Crystallographica Section E","2006","62","8","o3271","o3273","10.1107/S1600536806025955","","","0.71073","MoKα","","0.0509","0.0456","","","0.089","0.0911","","","","","","1.158","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209852","6.2265","0.0012","14.862","0.003","19.561","0.004","90","","90","","90","","1810.1","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C84 H104 O12 -","4","1","HB2104","Xiaohong, Wu; Wang, Yongli; Zhou,Lina","11β-Hydroxypregna-1,4,16-triene-3,20-dione","Acta Crystallographica Section E","2006","62","8","o3299","o3300","10.1107/S1600536806026341","","","0.71073","MoKα","","0.0566","0.0418","","","0.1023","0.1089","","","","","","1.096","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209928","8.093","0.002","10.932","0.004","29.318","0.011","90","","90","","90","","2593.8","1.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3,4,6-Tetra-O-acetyl-O-(p-tert-butylphenyl)-β-D-glucopyranoside","2,3,4,6-Tetra-O-acetyl-O-(p-tert-butylphenyl)-β-D-glucopyranoside","","- C24 H32 O10 -","- C24 H32 O10 -","- C96 H128 O40 -","4","1","LH2114","Ansari, Farzana Latif; Sultana, Sajida; Corrente, Andrea M.; Parvez, Masood","2,3,4,6-Tetra-<i>O</i>-acetyl-<i>O</i>-(<i>p</i>-<i>tert</i>-butylphenyl)-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2006","62","8","o3139","o3141","10.1107/S1600536806024573","","","0.71073","MoKα","","0.086","0.048","","","0.109","0.128","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209939","5.879","0.0005","12.5223","0.0016","18.029","0.003","90","","90","","90","","1327.3","0.3","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S)-4-Methyl-2-(1-oxo-1H-2,3-dihydroisoindol-2-yl)pentanoic acid","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","LH2126","Brady, Fiona; Gallagher, John F.","(2<i>S</i>)-4-Methyl-2-(1-oxo-1<i>H</i>-2,3-dihydroisoindol-2-yl)pentanoic acid","Acta Crystallographica Section E","2006","62","8","o3348","o3350","10.1107/S160053680602647X","","","0.71073","MoKα","","0.081","0.0436","","","0.0709","0.0801","","","","","","0.996","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2209941","4.4324","0.0005","8.8524","0.001","21.431","0.003","90","","90","","90","","840.9","0.18","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Amino-(1-carboxymethyl)pyridinium chloride","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C28 H36 Cl4 N8 O8 -","4","1","LH2129","Seethalakshmi, T.; Venkatesan, P.; Fronczek, F. R.; Kaliannan, P.; Thamotharan, S.","4-Amino-(1-carboxymethyl)pyridinium chloride","Acta Crystallographica Section E","2006","62","8","o3389","o3390","10.1107/S1600536806027012","","","0.71073","MoKα","","0.0529","0.0435","","","0.1023","0.1071","","","","","","1.111","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209962","11.29","0.002","13.795","0.002","34.421","0.004","90","","90","","90","","5360.9","1.4","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Bis[diphenyl(phenylsulfanylmethyl)diphenylphosphine- κP]bis(pentafluorophenyl)gold(III) perchlorate chloroform solvate","","- C51 H35 Au Cl4 F10 O4 P2 S2 -","- C51 H35 Au Cl4 F10 O4 P2 S2 -","- C204 H140 Au4 Cl16 F40 O16 P8 S8 -","4","1","NG2055","Jones, Peter G.; Fernández, Eduardo J.; López-de-Luzuriaga, José M.; Monge, Miguel; Laguna, Antonio","<i>cis</i>-Bis[diphenyl(phenylsulfanylmethyl)diphenylphosphine-κ<i>P</i>]bis(pentafluorophenyl)gold(III) perchlorate chloroform solvate","Acta Crystallographica Section E","2006","62","8","m1997","m1999","10.1107/S1600536806028856","","","0.71073","MoKα","","0.0559","0.0373","","","0.0657","0.0692","","","","","","0.92","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2209986","5.6176","0.0004","9.1414","0.0005","16.1195","0.0007","90","","90","","90","","827.78","0.08","150","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-Perhydrobenzimidazolium-2-carboxylate","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C32 H56 N8 O8 -","4","1","RZ2059","Biskupska, Inga; Jaruta, Katarzyna; Gdaniec, Maria","(2<i>S</i>,3a<i>R</i>,7a<i>R</i>)-Perhydro-1<i>H</i>-1,3-benzimidazol-1-ium-2-carboxylate","Acta Crystallographica Section E","2006","62","8","o3434","o3436","10.1107/S1600536806027346","","","0.71073","MoKα","","0.0295","0.029","","","0.0704","0.0707","","","","","","1.077","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209995","7.6377","0.0007","7.8268","0.0007","11.0427","0.001","90","","90","","90","","660.12","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2S,3S)-2,3-Dihydroxysuccinic acid monohydrate","","- C4 H8 O7 -","- C4 H8 O7 -","- C16 H32 O28 -","4","1","SG2032","Qing-Bao Song; Ming-Yu Teng; Yu Dong; Chun-An Ma; Jie Sun","(2<i>S</i>,3<i>S</i>)-2,3-Dihydroxysuccinic acid monohydrate","Acta Crystallographica Section E","2006","62","8","o3378","o3379","10.1107/S1600536806021738","","","0.71073","MoKα","","0.0478","0.0467","","","0.1243","0.1255","","","","","","1.12","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2209996","8.629","0.002","13.664","0.005","15.158","0.004","90","","90","","90","","1787.2","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3a,5b-Dimethyl-2,3,3a,4,5,5a,5b,6,7,13,13a,13b-dodecahydro- 1H-8-azacyclopenta[<i>a</i>]chrysen-3-ol","","- C22 H29 N O -","- C22 H29 N O -","- C88 H116 N4 O4 -","4","1","SG2033","Ji-Zhong Yan; Jian Li; Guo-Wu Rao","3a,5b-Dimethyl-2,3,3a,4,5,5a,5b,6,7,13,13a,13b-dodecahydro-1<i>H</i>-8-azacyclopenta[<i>a</i>]chrysen-3-ol","Acta Crystallographica Section E","2006","62","8","o3506","o3507","10.1107/S1600536806021763","","","0.71073","MoKα","","0.0475","0.0392","","","0.1076","0.1125","","","","","","1.067","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209997","8.5817","0.0012","8.9505","0.0014","18.375","0.003","90","","90","","90","","1411.4","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","SG2039","Xiang Chao Zeng; Li Hong Li; Ying Zhou Cen","(<i>S</i>)-Methyl 2-[(furan-2-carbonyl)amino]-3-phenylpropanoate","Acta Crystallographica Section E","2006","62","8","o3254","o3255","10.1107/S160053680602335X","","","0.71073","MoKα","","0.0329","0.0289","","","0.07","0.0726","","","","","","1.071","","","","has coordinates","201973","2020-10-21","18:00:00",""
"2209999","7.3407","0.0005","13.5532","0.0014","15.4384","0.0009","90","","90","","90","","1536","0.2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,5,-Tri-<i>O</i>-acetyl-1-(2-chloroethyl)-β-D-ribofuranose","","- C13 H19 Cl O8 -","- C13 H19 Cl O8 -","- C52 H76 Cl4 O32 -","4","1","SG2041","Constable, Edwin C.; Housecroft, Catherine E.; Mahmood, Azad; Neuburger, Markus; Schaffner, Silvia","2,3,5-Tri-<i>O</i>-acetyl-1-(2-chloroethyl)-β-<small>D</small>-ribofuranose","Acta Crystallographica Section E","2006","62","8","o3151","o3153","10.1107/S1600536806024706","","","0.71073","MoKα","","0.0461","0.029","","0.034","0.0326","0.0326","","","","","","1.0728","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2210000","3.9148","0.0002","10.1977","0.0005","30.8052","0.0014","90","","90","","90","","1229.8","0.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-Fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H13 F O2 -","- C16 H13 F O2 -","- C64 H52 F4 O8 -","4","1","SG2042","Harrison, William T. A.; Yathirajan, H. S.; Anilkumar, H. G.; Sarojini, B. K.; Narayana, B.","1-(4-Fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","8","o3251","o3253","10.1107/S160053680602530X","","","0.71073","MoKα","","0.0505","0.0363","","","0.0739","0.0833","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210008","7.74","0.001","8.232","0.001","28.499","0.002","90","","90","","90","","1815.8","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cavidine","8,9-Dimethoxy-6-methyl-6,11,12,14-tetrahydro-6aH-1,3- dioxolo[4,5-h]isoquino[2,1-b]isoquinoline","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","TK2055","Li, Wu; Yang, Lu; Zheng, Qi-Tai","8,9-Dimethoxy-6-methyl-6,11,12,14-tetrahydro-6a<i>H</i>-1,3-dioxolo[4,5-<i>h</i>]isoquino[2,1-<i>b</i>]isoquinoline","Acta Crystallographica Section E","2006","62","8","o3137","o3138","10.1107/S1600536806024287","","","0.71073","MoKα","","0.09","0.07","","","0.163","0.177","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210019","7.578","0.002","10.282","0.002","16.832","0.004","90","","90","","90","","1311.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(Z)-3-(4-Nitrophenyl)-2-phenyl-2-propenoic acid monohydrate","(Z)-3-(4-Nitrophenyl)-2-phenyl-2-propenoic acid monohydrate","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","WW2031","Sadiq-ur-Rehman; Ali, Saqib; Shahzadi, Saira; Parvez, Masood","(<i>Z</i>)-3-(4-Nitrophenyl)-2-phenyl-2-propenoic acid monohydrate","Acta Crystallographica Section E","2006","62","8","o3313","o3315","10.1107/S1600536806024329","","","0.71073","MoKα","","0.085","0.042","","","0.089","0.114","","","","","","1.08","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210022","6.9742","0.0001","13.2883","0.0001","17.0472","0.0002","90","","90","","90","","1579.85","0.03","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Acetatoaqua(di-2-pyridylamine)isothiocyanatocopper(II)","","- C13 H14 Cu N4 O3 S -","- C13 H14 Cu N4 O3 S -","- C52 H56 Cu4 N16 O12 S4 -","4","1","XU2057","Youngme, Sujittra; Chotkhun, Thidarat; Chaichit, Narongsak","Acetatoaqua(di-2-pyridylamine)isothiocyanatocopper(II)","Acta Crystallographica Section E","2006","62","8","m1793","m1795","10.1107/S1600536806025803","","","0.71073","MoKα","","0.022","0.02","","","0.05","0.051","","","","","","1.05","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210025","8.615","0.002","16.576","0.003","24.68","0.004","90","","90","","90","","3524.4","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(5,5-diphenylhydantoinato-κN^3^)bis(1H-imidazole-κN^3^)copper(II) monohydrate","","- C36 H32 Cu N8 O5 -","- C36 H32 Cu N8 O5 -","- C144 H128 Cu4 N32 O20 -","4","1","XU2067","Xing-You Xu; Tong-Tao Xu; He-Ping Ma; Xi-Lan Hu; Da-Qi Wang","Bis(5,5-diphenylhydantoinato-κ<i>N</i>^3^)bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) monohydrate","Acta Crystallographica Section E","2006","62","8","m1956","m1957","10.1107/S1600536806028509","","","0.71073","MoKα","","0.101","0.0486","","","0.1038","0.1339","","","","","","0.971","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2210028","8.8914","0.0005","9.7191","0.0007","13.8189","0.0008","90","","90","","90","","1194.18","0.13","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dibromobis(pyridazine-κN)zinc(II)","","- C8 H8 Br2 N4 Zn -","- C8 H8 Br2 N4 Zn -","- C32 H32 Br8 N16 Zn4 -","4","1","XU2073","Bhosekar, Gaurav; Jeß, Inke; Näther, Christian","Dibromobis(pyridazine-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2006","62","8","m1859","m1860","10.1107/S1600536806026997","","","0.71073","MoKα","","0.055","0.038","","","0.081","0.09","","","","","","1.02","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210046","10.1004","0.0002","14.8636","0.0003","15.5876","0.0003","90","","90","","90","","2340.14","0.08","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3'R, 4S)-3-(3'-Cyclohexyl-3'-phenylpropionyl)-5,5-dimethyl-4- phenyloxazolidin-2-one","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C104 H124 N4 O12 -","4","1","AT2035","Yang, Rui; Nie, Lei; Zhang, Mei-Su; Wang, Juan; Lin, Jun","(3'<i>R</i>,4<i>S</i>)-3-(3'-Cyclohexyl-3'-phenylpropionyl)-5,5-dimethyl-4-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o3618","o3619","10.1107/S1600536806016035","","","0.71073","MoKα","","0.0504","0.0364","","","0.0911","0.1006","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210060","7.754","0.003","21.436","0.006","6.603","0.002","90","","90","","90","","1097.5","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Phenylquinoline 1-oxide","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","AT2079","Henrik Fahlquist; Peter C. Healy; David J. Young; Edward R. T. Tiekink","2-Phenylquinoline 1-oxide","Acta Crystallographica Section E","2006","62","9","o3805","o3807","10.1107/S1600536806030935","","","0.71069","MoKα","","0.084","0.041","","","0.098","0.115","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210085","7.105","0.003","25.662","0.012","9.58","0.008","90","","90","","90","","1746.7","1.8","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(4<i>R</i>,5<i>S</i>)-3-[2(<i>R</i>)-(4-Chlorophenyl)propionyl]-4-methyl- 5-phenyloxazolidin-2-one","","- C19 H18 Cl N O3 -","- C19 H18 Cl N O3 -","- C76 H72 Cl4 N4 O12 -","4","1","BI2031","Chavda, Sameer; Eames, Jason; Flinn, Anthony; Motevalli, Majid; Malatesti, Nela","(‒)-(4<i>R</i>,5<i>S</i>)-3-[2(<i>R</i>)-(4-Chlorophenyl)propionyl]-4-methyl-5-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o4039","o4040","10.1107/S1600536806031837","","","0.71073","MoKα","","0.1314","0.0469","","","0.0848","0.1054","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210086","7.194","0.004","14.208","0.008","20.049","0.011","90","","90","","90","","2049","2","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(4<i>R</i>,5<i>S</i>)-3-[2(<i>S</i>)-(4-Isobutylphenyl)propionyl]- 4-methyl-5-phenyloxazolidin-2-one","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","BI2032","Coumbarides, Gregory S.; Dingjan, Marco; Eames, Jason; Motevalli, Majid; Malatesti, Nela","(+)-(4<i>R</i>,5<i>S</i>)-3-[2(<i>S</i>)-(4-Isobutylphenyl)propionyl]- 4-methyl-5-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o4035","o4036","10.1107/S1600536806031849","","","0.71073","MoKα","","0.1069","0.0423","","","0.0856","0.1006","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210088","16.915","0.012","10.634","0.005","9.226","0.006","90","","90","","90","","1659.5","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(4<i>R</i>,5<i>S</i>)-4-Methyl-3-[2(<i>R</i>)-phenoxypropionyl]- 5-phenyloxazolidin-2-one","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","BI2034","Coumbarides, Gregory S.; Eames, Jason; Motevalli, Majid; Malatesti, Nela; Yohannes, Yonas","(+)-(4<i>R</i>,5<i>S</i>)-4-Methyl-3-[2(<i>R</i>)-phenoxypropionyl]-5-phenyloxazolidin-2-one","Acta Crystallographica Section E","2006","62","9","o4041","o4042","10.1107/S1600536806031862","","","0.71073","MoKα","","0.0844","0.04","","","0.0786","0.0893","","","","","","1.015","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210097","11.822","0.005","16.841","0.008","9.117","0.005","90","","90","","90","","1815.1","1.5","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,2'S,5'S,6'R,8'R,10'R)-3-Hydroxy-4-[5'-hydroxy-10'-hydroxymethyl-5'-methyl- 1',7',9'-trioxadispiro[5.1.5.2]pentadec-2'-yl]but-1-ene","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","BI2053","Tetsuzo Ito; Kuniyo Yamada; Masanobu Midorikawa; Takeshi Noda","(3<i>S</i>,2'<i>S</i>,5'<i>S</i>,6'<i>R</i>,8'<i>R</i>,10'<i>R</i>)-3-Hydroxy-4-(5'-hydroxy-10'-hydroxymethyl-5'-methyl-1',7',9'-trioxadispiro[5.1.5.2]pentadec-2'-yl)but-1-ene","Acta Crystallographica Section E","2006","62","9","o3968","o3969","10.1107/S1600536806032454","","","0.7107","MoKα","","","0.04","","","","0.041","","","","","","1.534","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210105","6.339","0.0013","9.313","0.0019","22.712","0.005","90","","90","","90","","1340.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","BT2145","Wang, Pin-Liang; Wang, Hai-Bo; Ding, Wei-Lin; Liu, Zhi-Qian; Xing, Zhi-Tao","<i>N</i>-(2,6-Dimethylphenyl)-2-(2-oxo-1-pyrrolidin-1-yl)acetamide","Acta Crystallographica Section E","2006","62","9","o3838","o3839","10.1107/S1600536806031370","","","0.71073","MoKα","","0.0727","0.0459","","","0.1069","0.1214","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210108","6.332","0.002","12.103","0.004","22.424","0.008","90","","90","","90","","1718.5","1","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 4-(7-diethylamino-2-oxo-2H-1-benzopyran-3-yl)benzoate","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","BT2155","Takechi, Haruko; Kubo, Kanji; Takahashi, Hajime; Matsumoto, Taisuke","Methyl 4-(7-diethylamino-2-oxo-2<i>H</i>-1-benzopyran-3-yl)benzoate","Acta Crystallographica Section E","2006","62","9","o3826","o3828","10.1107/S1600536806031138","","","0.7107","MoKα","","","0.0464","","","","0.1348","","","","","","1.009","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210117","6.102","0.0017","14.45","0.003","23.763","0.008","90","","90","","90","","2095.3","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 17,17-ethylenedioxy-7-oxo-15β,16β-methylene-5-androstene-3β-carboxylate","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","BT2164","Wei Zhou; Wei-Xiao Hu; Chun-Nian Xia","Methyl 17,17-ethylenedioxy-7-oxo-15β,16β-methylene-5-androstene-3β-carboxylate","Acta Crystallographica Section E","2006","62","9","o4132","o4133","10.1107/S1600536806033745","","","0.71073","MoKα","","0.1099","0.0516","","","0.1244","0.154","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210123","7.6691","0.0002","12.7162","0.0003","13.3652","0.0003","90","","90","","90","","1303.4","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","salicylaldoxime","2-hydroxybenzaldehyde oxime","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C56 H56 N8 O16 -","8","2","BT2170","Peter A. Wood; Ross S. Forgan; Simon Parsons; Elna Pidcock; Peter A. Tasker","Salicylaldoxime-III at 150 K","Acta Crystallographica Section E","2006","62","9","o3944","o3946","10.1107/S1600536806032375","","","0.71073","MoKα","","0.0388","0.0333","","0.0794","0.0781","0.0794","","","","","","0.9431","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2210162","7.9634","0.0005","14.67","0.0009","20.542","0.0013","90","","90","","90","","2399.8","0.3","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Secodukunolide F","methyl 2-[4-(3-furyl)-6 b,10a-dihydroxy-3a,7,9,9- tetramethyl-6,10-dioxo-2,3,3a,6b,7,8,9,10,10a,11-decahydro- 1aH,4H,6H-benzo[h][1]benzoxireno[3,2,1a-de]isochromen- 8-yl]acetate","","- C27 H32 O9 -","- C27 H32 O9 -","- C108 H128 O36 -","4","1","CI2133","Hoong-Kun Fun; Suchada Chantrapromma; Nawong Boonnak; Kanchuree Chaiyadej; Kan Chantrapromma; Xiao-Lan Yu","<i>seco</i>-Dukunolide F: a new tetranortriterpenoid from <i>Lansium domesticum </i>Corr.","Acta Crystallographica Section E","2006","62","9","o3725","o3727","10.1107/S1600536806030145","","","0.71073","MoKα","","0.0442","0.0423","","","0.1176","0.12","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210170","6.2552","0.0005","6.3403","0.0005","26.648","0.002","90","","90","","90","","1056.86","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O3 -","- C11 H15 N O3 -","- C44 H60 N4 O12 -","4","1","CI2143","Xing-You Xu; Tong-Tao Xu; Da-Qi Wang; Jian Gao; Guo-Xiang Xu","2-[1-(2-Hydroxyethyliminio)ethyl]-5-methoxyphenolate","Acta Crystallographica Section E","2006","62","9","o4030","o4031","10.1107/S1600536806033393","","","0.71073","MoKα","","0.0418","0.0374","","","0.1094","0.1255","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210202","5.6117","0.0009","6.556","0.002","9.5321","0.0012","90","","90","","90","","350.69","0.13","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine III","L-serine","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","CV2104","Tatiana N. Drebushchak; Heidrun Sowa; Yuryi V. Seryotkin; Elena V. Boldyreva; Hans Ahsbahs","<small>L</small>-Serine III at 8.0 GPa","Acta Crystallographica Section E","2006","62","9","o4052","o4054","10.1107/S1600536806032508","","","0.71073","MoKα","","0.1562","0.0455","","","0.0654","0.0872","","","","","","0.388","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210224","8.4677","0.0003","11.1826","0.0004","27.0427","0.001","90","","90","","90","","2560.7","0.16","20","2","20","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-N,N'-dicamphorsulfonylpiperazine","(+)-N,N'-Bis[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1- yl)methylsulfonyl]piperazine","","- C24 H38 N2 O6 S2 -","- C24 H38 N2 O6 S2 -","- C96 H152 N8 O24 S8 -","4","1","FL2038","Małgorzata Ullrich; Anna Kozakiewicz; Mirosław Wełniak; Andrzej Wojtczak","(+)-<i>N</i>,<i>N</i>'-Bis[(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methylsulfonyl]piperazine","Acta Crystallographica Section E","2006","62","9","o3750","o3751","10.1107/S1600536806028595","","","0.71073","MoKα","","0.0624","0.0476","","","0.1164","0.1237","","","","","","1.083","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210256","8.603","0.0017","12.235","0.002","20.001","0.004","90","","90","","90","","2105.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17-acetyl-16-bromo-17-hydroxy-10,13-dimethyl-1,6,7,8,9,10,12,13,14, 15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene-3,11-dione","","- C22 H31 Br O5 -","- C22 H31 Br O5 -","- C88 H124 Br4 O20 -","4","1","HB2124","Zhang Haitao; Nie, Qiang; Chen, Ying; Wang, Jingkang; Zhou,Lina","16β-Bromo-17α-hydroxypregn-4-ene-3,11,20-trione methanol solvate","Acta Crystallographica Section E","2006","62","9","o4075","o4077","10.1107/S1600536806033423","","","0.71073","MoKα","","0.0452","0.0356","","","0.0768","0.0812","","","","","","0.967","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210306","6.609","0.005","10.34","0.008","18.473","0.014","90","","90","","90","","1262.4","1.7","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(2-chloroethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin- 1-ium chloride","","- C11 H16 Cl2 N2 O -","- C11 H16 Cl2 N2 O -","- C44 H64 Cl8 N8 O4 -","4","1","KJ2018","Krishnan Ravikumar; Balasubramanian Sridhar","3-(2-Chloroethyl)-2-methyl-4-oxo-6,7,8,9-tetrahydro-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-1-ium chloride","Acta Crystallographica Section E","2006","62","9","o3730","o3731","10.1107/S160053680603056X","","","0.71073","MoKα","","0.0575","0.0529","","","0.1273","0.1305","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210366","8.869","0.002","10.552","0.002","17.902","0.004","90","","90","","90","","1675.4","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","rel-(1R,4R,9R)-1-Acetyl-9-(1-piperidinyl)-1,4-dihydro-1,4-ethanonaphthalene- 9-carbonitrile","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","OM2049","Döpp, Dietrich; Kruse, Claudia; Flörke, Ulrich; Henkel, Gerald","<i>rel</i>-(1<i>R</i>,4<i>R</i>,9<i>R</i>)-1-Acetyl-9-(1-piperidinyl)-1,4-dihydro-1,4-ethanonaphthalene-9-carbonitrile","Acta Crystallographica Section E","2006","62","9","o3904","o3906","10.1107/S160053680603203X","","","0.71073","MoKα","","0.038","0.0324","","","0.0768","0.0802","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210423","8.998","0.002","12.88","0.005","18.184","0.005","90","","90","","90","","2107.4","1.1","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-β-Azido-4-desoxypodophyllotoxin","","- C22 H21 N3 O7 -","- C22 H21 N3 O7 -","- C88 H84 N12 O28 -","4","1","XU2019","Xiang Chen; Jun Liang; Zhi-Cai Shang","4-β-Azido-4-desoxypodophyllotoxin","Acta Crystallographica Section E","2006","62","9","o3810","o3811","10.1107/S1600536806015388","","","0.71075","MoKα","","0.057","0.04","","","0.103","0.112","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210429","9.527","0.0012","18.657","0.002","22.679","0.003","90","","90","","90","","4031.1","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Chloro-2-{[(R)-(3'S,8'R)-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazol- 3-yl](phenyl)methyl}phenol","","- C23 H20 Cl N O2 -","- C23 H20 Cl N O2 -","- C184 H160 Cl8 N8 O16 -","8","2","XU2071","Guang-You Zhang; Wan-Hui Wang; Jian-Guo Chang; Jin-Yan Zhao; Xiang-Bo Wang","4-Chloro-2-{[(<i>R</i>)-(3'<i>S</i>,8'<i>R</i>)-3,3a,8,8a-tetrahydro-2<i>H</i>-indeno[1,2-<i>d</i>][1,3]oxazol-3-yl](phenyl)methyl}phenol","Acta Crystallographica Section E","2006","62","9","o4078","o4079","10.1107/S1600536806033125","","","0.71073","MoKα","","0.127","0.077","","","0.212","0.241","","","","","","0.996","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210449","9.2716","0.0003","11.4256","0.0003","16.422","0.0004","90","","90","","90","","1739.64","0.08","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzyl 2-(5-methyl-2-pyridylaminocarbonyl)pyrrolidine-2-carboxylate","","- C19 H21 N3 O3 -","- C19 H21 N3 O3 -","- C76 H84 N12 O12 -","4","1","XU2110","Long He","Benzyl 2-(5-methyl-2-pyridylaminocarbonyl)pyrrolidine-2-carboxylate","Acta Crystallographica Section E","2006","62","9","o3947","o3948","10.1107/S1600536806031904","","","0.71073","MoKα","","0.028","0.028","","","0.071","0.072","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210475","9.05","0.04","12","0.06","13.33","0.06","90","","90","","90","","1448","12","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S)-1-(Benzoylthiocarbamoyl)pyrrolidine-2-carboxylic acid monohydrate","","- C13 H16 N2 O4 S -","- C13 H16 N2 O4 S -","- C52 H64 N8 O16 S4 -","4","1","AT2108","Ngah, Nurziana; Kassim, Mohammad B.; Yamin, Bohari M.","(2<i>S</i>)-1-(Benzoylthiocarbamoyl)pyrrolidine-2-carboxylic acid monohydrate","Acta Crystallographica Section E","2006","62","10","o4501","o4502","10.1107/S1600536806036816","","","0.71073","MoKα","","0.05","0.037","","","0.083","0.088","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210490","12.2382","0.0015","21.031","0.003","22.14","0.003","90","","90","","90","","5698.4","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1,10-phenanthrolinium bis(1,10-phenanthroline)copper(I) dodecamolybdophosphate, (C~12~H~10~N~2~)[Cu(C~12~H~8~N~2~)~2~][PMo~12~O~40~]","","- C36 H26 Cu Mo12 N6 O40 P -","- C36 H24 Cu Mo12 N6 O40 P -","- C144 H96 Cu4 Mo48 N24 O160 P4 -","4","1","BC3014","Yu, Li; Bi, Dong-Qin; Wang, Jing-Ping","A new hybrid Keggin-type molybdophosphate: (H~2~phen)[Cu(phen)~2~][PMo~12~O~40~]","Acta Crystallographica Section E","2006","62","10","m2570","m2572","10.1107/S1600536806036506","","","0.71073","MoKα","","0.0308","0.0259","","","0.0457","0.0473","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210497","5.7365","0.0012","10.903","0.003","15.362","0.003","90","","90","","90","","960.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[triaquacadmium(II)]-μ~2~-pyrazine-2,3-dicarboxylato]","","- C6 H8 Cd N2 O7 -","- C6 H8 Cd N2 O7 -","- C24 H32 Cd4 N8 O28 -","4","1","BH2044","Ma, Yi; He, Yong-Ke; Han, Zheng-Bo","<i>catena</i>-Poly[[triaquacadmium(II)]-μ~2~-pyrazine-2,3-dicarboxylato]","Acta Crystallographica Section E","2006","62","10","m2528","m2529","10.1107/S1600536806035793","","","0.71073","MoKα","","0.0381","0.0336","","","0.0859","0.0896","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210525","6.1342","0.0012","15.433","0.003","19.029","0.004","90","","90","","90","","1801.5","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16α,17α-Epoxypregna-11α-hydroxy-1,4-diene-3,20-dione","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","BV2031","Hai-Yang Jiang; Yong-Li Wang; Lina Zhou","16α,17α-Epoxypregna-11α-hydroxy-1,4-diene-3,20-dione","Acta Crystallographica Section E","2006","62","10","o4446","o4447","10.1107/S1600536806036014","","","0.71073","MoKα","","0.106","0.0553","","","0.0924","0.105","","","","","","1.084","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210541","4.6152","0.0007","10.0698","0.0016","24.928","0.004","90","","90","","90","","1158.5","0.3","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-Hydroxylbenzoyl)-N'-(picolinoyl)hydrazine","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C52 H44 N12 O12 -","4","1","CI2159","Liu, Zhao-Di; Zhang, Shu-Ping; Chen, Shui-Sheng; Shao, Si-Chang","<i>N</i>-(2-Hydroxylbenzoyl)-<i>N</i>'-(picolinoyl)hydrazine","Acta Crystallographica Section E","2006","62","10","o4370","o4371","10.1107/S1600536806035501","","","0.71073","MoKα","","0.0514","0.0394","","","0.0975","0.1047","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210544","7.0295","0.0004","10.5127","0.0006","22.2438","0.0013","90","","90","","90","","1643.8","0.16","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 Cl O4 -","- C18 H17 Cl O4 -","- C72 H68 Cl4 O16 -","4","1","CI2162","P. S. Patil; Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; S. M. Dharmaprakash","1-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","10","o4448","o4449","10.1107/S1600536806036166","","","0.71073","MoKα","","0.1556","0.0581","","","0.1031","0.1388","","","","","","0.994","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210558","5.8611","0.0011","18.529","0.003","19.756","0.004","90","","90","","90","","2145.5","0.7","298","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Phenyl 3,4-O-isopropylidene-6-O-pivalyl-β-D-galactopyranoside","","- C20 H28 O7 -","- C20 H28 O7 -","- C80 H112 O28 -","4","1","CV2108","Jiong Jia; Yan Zhang; Xi-Zhao Wang; Teng-Fei Shao; Jian-wu Wang","Phenyl 3,4-<i>O</i>-isopropylidene-6-<i>O</i>-pivalyl-β-<small>D</small>-galactopyranoside","Acta Crystallographica Section E","2006","62","10","o4304","o4305","10.1107/S1600536806035264","","","0.71073","MoKα","","0.0858","0.0578","","","0.153","0.1708","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210562","6.8693","0.0003","7.0382","0.0003","15.7909","0.0007","90","","90","","90","","763.45","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-C-Methyl-3,4-O-methylidene-D-arabinono-1,5-lactone","","- C7 H10 O5 -","- C7 H10 O5 -","- C28 H40 O20 -","4","1","CV2114","Bream, Richard; Watkin, David J.; Jones, Nigel A.; Jenkinson, Sarah F.; Fleet, George W. J.","2-<i>C</i>-Methyl-3,4-<i>O</i>-methylidene-<small>D</small>-arabinono-1,5-lactone","Acta Crystallographica Section E","2006","62","10","o4356","o4358","10.1107/S1600536806035331","","","0.71073","MoKα","","0.0574","0.0375","","0.0795","0.074","0.0795","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210575","9.4012","0.0005","12.8491","0.0007","23.7478","0.0017","90","","90","","90","","2868.7","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[(R,R)-2-Amino-1-(p-tolylsulfonylamido)cyclohexane-κ^2^N,N']chloro(η^5^- pentamethylcyclopentadienyl)iridium(III) chloroform solvate","","- C24 H35 Cl4 Ir N2 O2 S -","- C24 H35 Cl4 Ir N2 O2 S -","- C96 H140 Cl16 Ir4 N8 O8 S4 -","4","1","DN2059","Canivet, Jérôme; Therrien, Bruno; Süss-Fink, Georg","[(<i>R</i>,<i>R</i>)-2-Amino-1-(<i>p</i>-tolylsulfonylamido)cyclohexane-κ^2^<i>N</i>,<i>N</i>']chloro(η^5^-pentamethylcyclopentadienyl)iridium(III) chloroform solvate","Acta Crystallographica Section E","2006","62","10","m2435","m2436","10.1107/S1600536806034842","","","0.71073","MoKα","","0.0357","0.0282","","","0.0574","0.0588","","","","","","0.936","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210601","6.3661","0.0003","6.6684","0.0003","17.1873","0.0009","90","","90","","90","","729.63","0.06","190","","190","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-Deoxy-α-<i>D</i>-sorbopyranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","FL2054","Nigel A. Jones; Mette Fanefjord; Sarah F. Jenkinson; George W. J. Fleet; David J. Watkin","1-Deoxy-α-<small>D</small>-sorbopyranose","Acta Crystallographica Section E","2006","62","10","o4663","o4665","10.1107/S1600536806038347","","","0.71073","MoKα","","0.0305","0.0268","","0.063","0.0615","0.063","","","","","","1.0115","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210603","7.6497","0.0008","9.6076","0.0017","33.445","0.005","90","","90","","90","","2458","0.6","296","2","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Solasodine monohydrate","[(22R,25R)-spirosol-5-en-3β-ol] monohydrate","","- C27 H45 N O3 -","- C27 H45 N O3 -","- C108 H180 N4 O12 -","4","1","FL2056","Vega Baez, José Luis; Meza-Reyes, Socorro; Montiel Smith, Sara; Sandoval Ramírez, Jesús; Bernès, Sylvain","Solasodine monohydrate: an authentic structural characterization and a reinterpretation of a previous report","Acta Crystallographica Section E","2006","62","10","o4741","o4743","10.1107/S1600536806038554","","","0.71073","MoKα","","0.0499","0.0378","","","0.0888","0.0958","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210677","7.3031","0.0003","10.3422","0.0004","21.3355","0.0009","90","","90","","90","","1611.47","0.11","100","0.1","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-(4-Bromophenyl)-3-(2,4,5-trimethoxyphenyl) prop-2-en-1-one","1-(4-Bromophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H17 Br O4 -","- C18 H17 Br O4 -","- C72 H68 Br4 O16 -","4","1","IS2077","P. S. Patil; Mohd Mustaqim Rosli; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","1-(4-Bromophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2006","62","10","o4644","o4645","10.1107/S1600536806038232","","","0.71073","MoKα","","0.0534","0.0323","","","0.0654","0.074","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210688","8.3453","0.0014","10.9683","0.0019","19.436","0.003","90","","90","","90","","1779.1","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2,3-Dioxo-5,6:14,15-dibenzo-1,4,8,12-tetraazacyclopentadeca-7,13- dienato(2-)]nickel(II)","","- C21 H20 N4 Ni O2 -","- C21 H20 N4 Ni O2 -","- C84 H80 N16 Ni4 O8 -","4","1","KP2038","Yan-Hong Zhang; Gui-Ru Deng; Guang-Ming Yang","[2,3-Dioxo-5,6:14,15-dibenzo-1,4,8,12-tetraazacyclopentadeca-7,13-dienato(2‒)]nickel(II)","Acta Crystallographica Section E","2006","62","10","m2717","m2718","10.1107/S1600536806038013","","","0.71073","MoKα","","0.0441","0.033","","","0.067","0.0714","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2210707","5.7697","0.0007","14.545","0.002","24.681","0.003","90","","90","","90","","2071.2","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(2-chlorophenyl)-1,5-bis(4-nitrophenyl)pentane-1,5-dione","","- C23 H17 Cl N2 O6 -","- C23 H17 Cl N2 O6 -","- C92 H68 Cl4 N8 O24 -","4","1","LH2177","Qiu, Xiao-Yang; Ma, Ji-Long; Liu, Wei-Sheng","3-(2-Chlorophenyl)-1,5-bis(4-nitrophenyl)pentane-1,5-dione","Acta Crystallographica Section E","2006","62","10","o4565","o4566","10.1107/S1600536806037512","","","0.71073","MoKα","","0.0719","0.0439","","","0.1","0.1152","","","","","","0.989","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210755","11.3245","0.0011","12.7667","0.0012","14.6079","0.0014","90","","90","","90","","2112","0.3","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-)-N-[(3S)-3-(4-Fluorophenyl-4-methyl)hexanoyl]bornane-10,2-sultam","","- C22 H30 F N O3 S -","- C22 H30 F N O3 S -","- C88 H120 F4 N4 O12 S4 -","4","1","OM2037","Cao, Xiu-Fang; Yu, Guang-Ao; Liu, Sheng-Hua; Meng, Xiang-Gao","(‒)-<i>N</i>-[(3<i>S</i>)-3-(4-Fluorophenyl-4-methyl)hexanoyl]bornane-10,2-sultam","Acta Crystallographica Section E","2006","62","10","o4458","o4459","10.1107/S1600536806030157","","","0.71073","MoKα","","0.057","0.0523","","","0.1312","0.1351","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210765","10.0061","0.0012","11.5146","0.0014","18.602","0.002","90","","90","","90","","2143.3","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S)-2-Benzyl-1-[(4R)-4-benzyl-2,2-dimethyl-1,3-oxazolan-3-yl]pent-4-en-1-one","","- C24 H29 N O2 -","- C24 H29 N O2 -","- C96 H116 N4 O8 -","4","1","RZ2071","K. Ravikumar; B. Sridhar; K. S. Kiran kumar Reddy; G. Sabitha; J. S. Yadav","(2<i>S</i>)-2-Benzyl-1-[(4<i>R</i>)-4-benzyl-2,2-dimethyl-1,3-oxazolan-3-yl]pent-4-en-1-one","Acta Crystallographica Section E","2006","62","10","o4755","o4757","10.1107/S1600536806039389","","","0.71073","MoKα","","0.0444","0.0382","","","0.0958","0.1008","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2210781","7.9978","0.0014","9.5959","0.0017","24.02","0.005","90","","90","","90","","1843.4","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diphenylmethyl 1-oxo-1-penicillanate","","- C21 H21 N O4 S -","- C21 H21 N O4 S -","- C84 H84 N4 O16 S4 -","4","1","SJ2113","Bai, Guo-Yi; Peng, Hong-Wei; Qin, Xin-Ying; Zhang, Yue-Cheng; Zeng, Tao","Diphenylmethyl 1-oxo-1-penicillanate","Acta Crystallographica Section E","2006","62","10","o4391","o4392","10.1107/S1600536806035069","","","0.7107","MoKα","","0.0417","0.038","","","0.0837","0.0862","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210804","7.4007","0.0015","11.794","0.002","16.29","0.003","90","","90","","90","","1421.9","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-2-hydroxy-N'-[1-(4-methoxyphenyl)ethylidene]benzohydrazide","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","WK2022","Qiu, Xiao-Yang; Luo Qiu-Yan; Yang, Sen-Lin; Liu, Wei-Sheng","(<i>E</i>)-2-Hydroxy-<i>N</i>'-[1-(4-methoxyphenyl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2006","62","10","o4291","o4292","10.1107/S1600536806029345","","","0.71073","MoKα","","0.0604","0.0353","","","0.0895","0.1024","","","","","","1.031","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210828","6.167","0.002","17.497","0.006","20.288","0.007","90","","90","","90","","2189.2","1.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S)-tert-Butyl 4-(hydroxydiphenylmethyl)-2,2-dimethyloxazolidine-3-carboxylate","","- C23 H29 N O4 -","- C23 H29 N O4 -","- C92 H116 N4 O16 -","4","1","XU2111","Gao, Yu-Xing; Liu, Wan-Yun; Bai, Yong-Gang; Guo, Ting-Ting; Zhao, Yu-Fen","(4<i>S</i>)-<i>tert</i>-Butyl 4-(hydroxydiphenylmethyl)-2,2-dimethyloxazolidine-3-carboxylate","Acta Crystallographica Section E","2006","62","10","o4308","o4309","10.1107/S1600536806033071","","","0.71073","MoKα","","0.071","0.064","","","0.153","0.157","","","","","","1.309","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210839","9.168","0.002","10.053","0.002","18.405","0.004","90","","90","","90","","1696.3","0.6","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,4R)-1-(Hydroxydiphenylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","1","XU2126","Gao, Yu-Xing; Tang, Guo; Zhao, Yu-Fen","(1<i>R</i>,4<i>R</i>)-1-(Hydroxydiphenylmethyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one","Acta Crystallographica Section E","2006","62","10","o4521","o4522","10.1107/S1600536806037287","","","0.71073","MoKα","","0.053","0.052","","","0.148","0.15","","","","","","1.189","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210847","7.4621","0.0004","12.1011","0.0006","13.2757","0.0007","90","","90","","90","","1198.79","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-(2-Chloro-4-fluorophenyl)isocoumarin","3-(2-Chloro-4-fluorophenyl)-1H-isochromen-1-one","","- C15 H8 Cl F O2 -","- C15 H8 Cl F O2 -","- C60 H32 Cl4 F4 O8 -","4","1","YM2022","Muhammad Khalid; Gul Shahzada Khan; Ghulam Qadeer; Nasim Hasan Rama; Wong, Wai-Yeung","3-(2-Chloro-4-fluorophenyl)-1<i>H</i>-isochromen-1-one","Acta Crystallographica Section E","2006","62","10","o4539","o4540","10.1107/S1600536806035999","","","0.71073","MoKα","","0.025","0.025","","","0.069","0.069","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210854","8.255","0.002","10.438","0.002","21.11","0.006","90","","90","","90","","1819","0.8","298","1","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-Bromo-11β-hydroxypregna-1,4,16-triene-3,20-dione","","- C21 H25 Br O3 -","- C21 H25 Br O3 -","- C84 H100 Br4 O12 -","4","1","AC2057","Zhang, Guo-Lin; Peng, Hong-Yun; Sun, Jing","9α-Bromo-11β-hydroxypregna-1,4,16-triene-3,20-dione","Acta Crystallographica Section E","2006","62","11","o5112","o5113","10.1107/S1600536806041754","","","0.71075","MoKα","","","0.0236","","","","0.0513","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210855","13.377","0.004","14.905","0.005","18.376","0.004","90","","90","","90","","3663.9","1.8","298.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sandine","Sandine","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C168 H176 N16 O24 -","8","2","AT2087","Jian-Ming Gu; Xiu-Rong Hu","Sandine: a catharanthus-derived alkaloid","Acta Crystallographica Section E","2006","62","11","o4775","o4777","10.1107/S1600536806035616","","","0.71075","MoKα","","","0.0642","","","","0.1728","","","","","","1.003","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2210877","9.8322","0.0019","12.109","0.002","17.141","0.003","90","","90","","90","","2040.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(5-methyl-3-phenylpyrazol-1-yl)propan-2-ol","","- C23 H24 N4 O -","- C23 H24 N4 O -","- C92 H96 N16 O4 -","4","1","BI2064","Zhang, Guo-Fang; Yin, Mai-Hua; Dou, Yin-Li; Zhao, Shu-Min; Liu, Hui-Qin","1,3-Bis(5-methyl-3-phenylpyrazol-1-yl)propan-2-ol","Acta Crystallographica Section E","2006","62","11","o4812","o4813","10.1107/S1600536806038220","","","0.71073","MoKα","","0.0912","0.0583","","","0.1518","0.1721","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210897","5.4341","0.0002","7.8324","0.0002","46.6831","0.001","90","","90","","90","","1986.93","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(4R)-4-Hydroxy-1-[(2S)-2-hydroxydodecyl]-L-proline monohydrate","","","- C17 H35 N O5 -","- C17 H35 N O5 -","- C68 H140 N4 O20 -","4","1","BT2198","Christian Peifer; Oliver Werz; Daniel Poeckel; Schollmeyer, Dieter; Stefan Laufer","(4<i>R</i>)-4-Hydroxy-1-[(2<i>S</i>)-2-hydroxydodecyl]-<small>L</small>-proline monohydrate","Acta Crystallographica Section E","2006","62","11","o5138","o5140","10.1107/S1600536806042930","","","1.54178","CuKα","","0.058","0.0467","","","0.1266","0.1443","","","","","","1.075","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210908","5.667","0.0009","9.8516","0.0016","25.447","0.004","90","","90","","90","","1420.7","0.4","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-D-1,2:5,6-Di-O-isopropylidene-3-O-methyl-<i>chiro</i>- inositol","","- C13 H22 O6 -","- C13 H22 O6 -","- C52 H88 O24 -","4","1","BT2210","Gainsford, Graeme J.; Lensink, Cees; Falshaw, Andrew","1<small>D</small>-1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methyl-<i>chiro</i>-inositol","Acta Crystallographica Section E","2006","62","11","o5104","o5105","10.1107/S1600536806042292","","","0.71073","MoKα","","0.0613","0.043","","","0.0971","0.1028","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210914","6.1","0.0012","9.634","0.0019","17.302","0.004","90","","90","","90","","1016.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-3-Hydroxy-N,N-dimethyl-3-(2-thienyl)propanamine","","- C9 H15 N O S -","- C9 H15 N O S -","- C36 H60 N4 O4 S4 -","4","1","CF2028","Xiao Tao; Xu Bin; Hong-Jun Zhu; Lin Yuan; Wang, Jin-Tang","(<i>R</i>)-3-Hydroxy-<i>N</i>,<i>N</i>-dimethyl-3-(2-thienyl)propanamine","Acta Crystallographica Section E","2006","62","11","o5202","o5203","10.1107/S1600536806042711","","","0.71073","MoKα","","0.0535","0.0421","","","0.1186","0.1309","","","","","","0.899","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210934","7.6072","0.0012","13.725","0.002","17.628","0.003","90","","90","","90","","1840.5","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Di-n-propyl anthracene-1,8-dicarboxylate","","- C22 H22 O4 -","- C22 H22 O4 -","- C88 H88 O16 -","4","1","CI2189","Shao-Jin Gu; Da-Bin Qin; Lin-Hai Jing; Huan-Xia Zhang","Di-<i>n</i>-propyl anthracene-1,8-dicarboxylate","Acta Crystallographica Section E","2006","62","11","o5001","o5002","10.1107/S1600536806041961","","","0.71073","MoKα","","0.0732","0.0411","","","0.0858","0.0967","","","","","","1.163","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210957","6.1049","0.0017","7.909","0.002","20.244","0.005","90","","90","","90","","977.5","0.4","298","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[3-(4-Methylphenyl)isoxazol-5-yl]methanol","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","CV2142","Da-Min Tian; Xiang Li","[3-(4-Methylphenyl)isoxazol-5-yl]methanol","Acta Crystallographica Section E","2006","62","11","o5335","o5336","10.1107/S1600536806043881","","","0.71073","MoKα","","0.05","0.0417","","","0.0956","0.1001","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2210961","11.144","0.002","14.352","0.002","17.151","0.002","90","","90","","90","","2743.1","0.7","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1α,6,11β,15β-Tetraacetoxy-6,7-seco-7,20-olide-ent-kaur-16-ene","","- C28 H38 O10 -","- C28 H38 O10 -","- C112 H152 O40 -","4","1","DN2067","He, Zhi-An; Ma, Xing-Ke; Zhang, Ji-Xia; Bai, Su-Ping","1α,6,11β,15β-Tetraacetoxy-6,7-seco-7,20-olide-<i>ent</i>-kaur-16-ene","Acta Crystallographica Section E","2006","62","11","o5223","o5224","10.1107/S1600536806042875","","","0.71073","MoKα","","0.0907","0.0378","","","0.0706","0.0808","","","","","","0.79","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211025","5.5347","0.0013","18.709","0.0017","25.559","0.002","90","","90","","90","","2646.6","0.7","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3,4,6-Tetra-O-acetyl-2-deoxy-2-tetrachlorophthalimido-α-D-glucopyranoside","","- C22 H19 Cl4 N O11 -","- C22 H19 Cl4 N O11 -","- C88 H76 Cl16 N4 O44 -","4","1","HB2166","Yu, Chu-Yi; Qiao, Yan; Gao, Hong-Yun","1,3,4,6-Tetra-<i>O</i>-acetyl-2-deoxy-2-tetrachlorophthalimido-α-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2006","62","11","o5123","o5124","10.1107/S160053680604236X","","","0.7107","MoKα","","0.0613","0.0522","","","0.106","0.1113","","","","","","1.098","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211026","8.0242","0.0015","17.487","0.003","17.969","0.003","90","","90","","90","","2521.4","0.8","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl4 N O7 -","- C24 H19 Cl4 N O7 -","- C96 H76 Cl16 N4 O28 -","4","1","HB2167","Yu, Chu-Yi; Qiao, Yan; Gao, Hong-Yun","Allyl 4,6-<i>O</i>-benzylidene-2-deoxy-2-tetrachlorophthalimido-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2006","62","11","o5163","o5164","10.1107/S1600536806043674","","","0.71073","MoKα","","0.0832","0.0425","","","0.0794","0.0946","","","","","","0.959","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211036","7.123","0.001","11.425","0.002","15.785","0.002","90","","90","","90","","1284.6","0.3","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-4,5-Diphenylimidazolidin-2-one","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","HB2181","Siegler, Maxime; Long, Sihui","(4<i>R</i>,5<i>R</i>)-4,5-Diphenylimidazolidin-2-one","Acta Crystallographica Section E","2006","62","11","o5310","o5311","10.1107/S1600536806044382","","","0.71073","MoKα","","0.0509","0.0389","","","0.0933","0.1002","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211059","10.1476","0.0015","46.823","0.007","6.3293","0.0009","90","","90","","90","","3007.3","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Cholesteryl phenylacetate","Cholesteryl phenylacetate","","- C35 H52 O2 -","- C35 H52 O2 -","- C140 H208 O8 -","4","1","HK2145","Park, Young Ja","Cholesteryl phenylacetate","Acta Crystallographica Section E","2006","62","11","o4983","o4985","10.1107/S160053680604150X","","","0.71073","MoKα","","0.0634","0.0557","","","0.1228","0.1267","","","","","","1.094","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2211069","7.3696","0.0002","18.6464","0.0006","20.8708","0.0007","90","","90","","90","","2867.99","0.15","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","21-α-acetoxy-3-oxo-olean-12-en-28-oic acid","","- C32 H48 O5 -","- C32 H48 O5 -","- C128 H192 O20 -","4","1","IS2067","Diniz, Renata; Vidigal, Maria C. S.; Raslan, Délio S.; Fernandes, Nelson G.","A new triterpene of <i>Miconia macrothyrsa</i> leaves: 28-carboxy-3-oxoolean-12-en-21α-yl acetate","Acta Crystallographica Section E","2006","62","11","o4891","o4893","10.1107/S1600536806040281","","","0.71073","MoKα","","0.0728","0.055","","0.1468","","0.1273","","","1.06","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211070","4.8349","0.0015","12.89","0.004","22.123","0.007","90","","90","","90","","1378.7","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2-Acetoxythiophene)(2-hydroxy-3-methoxybenzylidene)hydrazide monohydrate","","- C13 H14 N2 O4 S -","- C13 H14 N2 O4 S -","- C52 H56 N8 O16 S4 -","4","1","IS2069","Jing, Zuo-Liang; Zhang, Qiao-Zhen; Yu, Ming; Chen, Xin","<i>N</i>-(2-Hydroxy-3-methoxybenzylidene)-<i>N</i>'-(2-thienylcarbonyl)hydrazine monohydrate","Acta Crystallographica Section E","2006","62","11","o4894","o4895","10.1107/S1600536806040293","","","0.71073","MoKα","","0.0484","0.0396","","","0.097","0.1023","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211071","5.1234","0.0004","10.5317","0.0009","26.674","0.002","90","","90","","90","","1439.3","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-(3-Hydroxypropyl)-4-(3-phenylallylideneamino)-2,4- dihydro-1,2,4-triazole-3-thione","","- C14 H16 N4 O S -","- C14 H16 N4 O S -","- C56 H64 N16 O4 S4 -","4","1","IS2073","Kai-Huang Zou; Li-Xue Zhang; Jian-Yu Jin; Hong-Ping Xiao; Jing Zhang","5-(3-Hydroxypropyl)-4-(3-phenylallylideneamino)-2,4-dihydro-1,2,4-triazole-3-thione","Acta Crystallographica Section E","2006","62","11","o4999","o5000","10.1107/S1600536806041602","","","0.71073","MoKα","","0.055","0.0515","","","0.1147","0.1165","","","","","","1.209","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211124","6.3359","0.0005","17.3414","0.0014","18.4066","0.0015","90","","90","","90","","2022.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1'-Methyl-4'-phenyl-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-1''- cyclooctane-2(3H),2''-dione","","- C25 H28 N2 O2 -","- C25 H28 N2 O2 -","- C100 H112 N8 O8 -","4","1","NC2022","R. Ganesh Kumar; D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran","1'-Methyl-4'-phenyl-1<i>H</i>-indole-3-spiro-2'-pyrrolidine-3'-spiro-1''-cyclooctane-2(3<i>H</i>),2''-dione","Acta Crystallographica Section E","2006","62","11","o4821","o4823","10.1107/S1600536806039481","","","0.71073","MoKα","","0.0435","0.0407","","","0.1062","0.1085","","","","","","1.184","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211154","10.2911","0.0002","14.0805","0.0003","15.6118","0.0003","90","","90","","90","","2262.21","0.08","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3'S,4R)-3-(3'-Cyclopentyl-3'-phenylpropanoyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","OB2085","Lei Nie; Rui Yang; Jing Cheng; Sheng-Jiao Yan; Jun Lin","(3'<i>S</i>,4<i>R</i>)-3-(3'-Cyclopentyl-3'-phenylpropanoyl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2006","62","11","o5132","o5133","10.1107/S1600536806042851","","","0.71073","MoKα","","0.0579","0.0412","","","0.1088","0.1206","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211156","6.6413","0.0009","11.5686","0.0019","16.766","0.003","90","","90","","90","","1288.1","0.4","173","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-N-(tert-Butoxycarbonyl)-L-proline-2-thioamide","","- C10 H18 N2 O2 S -","- C10 H18 N2 O2 S -","- C40 H72 N8 O8 S4 -","4","1","OB2087","Oku, Hiroyuki; Yoshinari, Takamasa; Yamada, Keiichi; Katakai, Ryoichi","({-})-<i>N</i>-(<i>tert</i>-Butoxycarbonyl)-<small>L</small>-proline-2-thioamide (Boc-<small>L</small>-Pro-thioamide)","Acta Crystallographica Section E","2006","62","11","o5298","o5300","10.1107/S1600536806043947","","","1.5418","CuKα","","","0.0414","","","","0.1296","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211162","9.124","0.003","12.398","0.003","12.472","0.004","90","","90","","90","","1410.8","0.7","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1R,4R)-(+)-3-benzoylcamphor","(+)-(1R,4R)-3-benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","","- C17 H20 O2 -","- C17 H20 O2 -","- C68 H80 O8 -","4","1","OM2056","Seo, Jang Woo; Niemeyer, Mark","The diketo form of (+)-(1<i>R</i>,4<i>R</i>)-3-benzoylcamphor","Acta Crystallographica Section E","2006","62","11","o4850","o4852","10.1107/S1600536806039808","","","0.71073","MoKα","","0.06","0.044","","","0.102","0.11","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211187","9.7075","0.0014","10.5271","0.0016","21.65","0.003","90","","90","","90","","2212.5","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3S,5R)-Diphenylmethyl 4,4-dioxo-3-(1,2,3-triazol-1-ylmethyl)-2-penicillanate","","- C23 H22 N4 O5 S -","- C23 H22 N4 O5 S -","- C92 H88 N16 O20 S4 -","4","1","SG2052","Bai, Guo-Yi; Peng, Hong-Wei; Qin, Xin-Ying; Zhang, Yue-Cheng; Zeng, Tao","(2<i>S</i>,3<i>S</i>,5<i>R</i>)-Diphenylmethyl 4,4-dioxo-3-(1,2,3-triazol-1-ylmethyl)-2-penicillanate","Acta Crystallographica Section E","2006","62","11","o4997","o4998","10.1107/S1600536806036981","","","0.7107","MoKα","","0.0417","0.0358","","","0.0816","0.0852","","","","","","0.921","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211190","8.9479","0.0018","11.096","0.002","17.035","0.004","90","","90","","90","","1691.3","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzyl 2-(2-pyridylaminocarbonyl)pyrrolidine-1-carboxylate","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","SG2065","Long He","(<i>S</i>)-Benzyl 2-(2-pyridylaminocarbonyl)pyrrolidine-1-carboxylate","Acta Crystallographica Section E","2006","62","11","o5070","o5071","10.1107/S1600536806042164","","","0.71073","MoKα","","0.077","0.0387","","","0.0878","0.1051","","","","","","1.092","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211194","9.295","0.0001","9.9641","0.0002","19.1575","0.0002","90","","90","","90","","1774.3","0.04","86","2","86","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[Bis(2-bromoethyl)amino]-N-(2-hydroxyethyl)-3,5-dinitrobenzamide","","- C13 H16 Br2 N4 O6 -","- C13 H16 Br2 N4 O6 -","- C52 H64 Br8 N16 O24 -","4","1","SG2073","Atwell, Graham; Boyd, Peter D.W.; Denny, William A.; Yang, Shangjin","2-[Bis(2-bromoethyl)amino]-<i>N</i>-(2-hydroxyethyl)-3,5-dinitrobenzamide","Acta Crystallographica Section E","2006","62","11","o5080","o5082","10.1107/S1600536806042188","","","0.71073","MoKα","","0.0167","0.0157","","","0.0377","0.0382","","","","","","1.068","","","","has coordinates,has Fobs","209312","2020-10-21","18:00:00",""
"2211196","7.696","0.003","14.729","0.006","16.061","0.006","90","","90","","90","","1820.6","1.2","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Carbendazim napsylate","2-(methoxycarbonylamino)benzimidazolium naphthalene-1-sulfonate","","- C19 H17 N3 O5 S -","- C19 H17 N3 O5 S -","- C76 H68 N12 O20 S4 -","4","1","SJ2109","Sepassi, Kia; Nichol, Gary S.; Yalkowsky, Samuel H.","The napsylate salt of carbendazim: 2-(methoxycarbonylamino)benzimidazolium naphthalene-1-sulfonate","Acta Crystallographica Section E","2006","62","11","o5172","o5173","10.1107/S1600536806035549","","","0.71073","MoKα","","0.0985","0.0635","","","0.1033","0.1139","","","","","","1.057","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211247","9.9386","0.001","13.2986","0.0015","34.655","0.004","90","","90","","90","","4580.3","0.9","115","","115","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H51 Cu I N5 P2 S -","- C48 H51 Cu I N5 P2 S -","- C192 H204 Cu4 I4 N20 P8 S4 -","4","1","YM2025","Venkatraman, Ramaiyer; Sitole, Lungile; Wilson, Montica R.; Fronczek, Frank R.","(1-Cyclopentano-4-ethyl-3-thiosemicarbazone)iodobis(triphenylphosphino)copper(I) acetonitrile disolvate","Acta Crystallographica Section E","2006","62","11","m2992","m2994","10.1107/S1600536806040232","","","0.71073","MoKα","","0.036","0.03","","","0.065","0.068","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211255","7.4001","0.0009","12.9986","0.0013","18.86","0.002","90","","90","","90","","1814.2","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","IFB-Lactam-1","2,15-dihydroxy-7-methyl-6-azabicyclo[11.3.0]hexadec-3-en-5-one","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C64 H108 N4 O12 -","4","1","AT2146","Hu, Shen-Cai; Mei, Li; Wang, Ji-Gang; Liu, Chang-Hong","IFB-Lactam-1, a natural compound with anti-Gloeosporium kaki Hori activity","Acta Crystallographica Section E","2006","62","12","o5777","o5778","10.1107/S1600536806049191","","","0.71073","MoKα","","0.0947","0.0737","","","0.2253","0.239","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211280","9.0948","0.0009","12.9794","0.0013","35.07","0.003","90","","90","","90","","4139.8","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2-Formyl-6-methoxyphenolato-κ^2^O,O')-cis-dimethyl-trans- bis(trimethylphosphine-κP)cobalt(III)","","- C16 H31 Co O3 P2 -","- C16 H31 Co O3 P2 -","- C128 H248 Co8 O24 P16 -","8","2","BH2057","Zhou, Jin; Fang, Shi-Min; Sun, Hong-Jian; Li, Xiao-Yan","(2-Formyl-6-methoxyphenolato-κ^2^<i>O</i>,<i>O</i>')-<i>cis</i>-dimethyl-<i>trans</i>-bis(trimethylphosphine-κ<i>P</i>)cobalt(III)","Acta Crystallographica Section E","2006","62","12","m3451","m3452","10.1107/S1600536806048860","","","0.71073","MoKα","","0.079","0.0419","","","0.0899","0.1094","","","","","","0.972","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211334","7.1885","0.0007","9.1504","0.0009","20.251","0.002","90","","90","","90","","1332.1","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(3-Chloro-10,11-dihydrodibenzo[b,f]azepin-5-yl)ethanone","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C64 H56 Cl4 N4 O4 -","4","1","CI2208","Yuan, Yan-Qin; Guo, Sheng-Rong; Wang, Yan; Gu, Yong-Bing","1-(3-Chloro-10,11-dihydrodibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)ethanone","Acta Crystallographica Section E","2006","62","12","o5515","o5516","10.1107/S1600536806046472","","","0.71073","MoKα","","0.0644","0.0612","","","0.1169","0.1185","","","","","","1.252","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211336","9.778","0.002","11.787","0.002","16.972","0.003","90","","90","","90","","1956.1","0.6","295","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-3,3'-Dibromo-2,2'-dimethoxy-5,5',6,6',7,7',8,8'-octahydro- 1,1'-binaphthalene","","- C22 H24 Br2 O2 -","- C22 H24 Br2 O2 -","- C88 H96 Br8 O8 -","4","1","CI2212","He, Long; Ng, Seik Weng","(<i>R</i>)-3,3'-Dibromo-2,2'-dimethoxy-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene: a Brönsted acid for catalyzing asymmetric Morita‒Baylis‒Hillman reactions","Acta Crystallographica Section E","2006","62","12","o5517","o5519","10.1107/S1600536806046575","","","0.71073","MoKα","","0.113","0.067","","","0.165","0.187","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211343","6.5021","0.0001","12.9728","0.0002","29.5163","0.0004","90","","90","","90","","2489.71","0.06","100","0.1","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3,19-(2,6-dimethoxybenzyledine)andrographolide","(E)-3-{2-[3-(2,6-dimethoxyphenyl)-6a,10b-dimethyl-8-methylene-decahydro- 1H-naphtho[2,1-d][1,3]dioxin-7-yl]ethylidene}-4-hydroxy-4,5-dihydrofuran- 2(3H)-one","","- C29 H38 O7 -","- C29 H38 O7 -","- C116 H152 O28 -","4","1","CI2224","Sreenivasa Rao Sagineedu; Shea-Lin Ng; Ibrahim Abdul Razak; Hoong-Kun Fun; Nordin Hj Lajis; Johnson Stanslas","3,19-(2,6-Dimethoxybenzylidene)andrographolide","Acta Crystallographica Section E","2006","62","12","o5806","o5808","10.1107/S1600536806048999","","","0.71073","MoKα","","0.0539","0.0431","","","0.1004","0.1155","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211353","9.2217","0.0008","12.0008","0.0011","10.2391","0.001","90","","90","","90","","1133.14","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(1H-Tetrazol-5-ylmethyl)pyrrolidine-2-carboxamide dihydrate","","- C7 H16 N6 O3 -","- C7 H16 N6 O3 -","- C28 H64 N24 O12 -","4","1","CV2144","Zheng, Ji-Fu; Zhang, Suo-Qin; Wang, Li; Yang, Song-Tao; Li, Yao-Xian","(<i>S</i>)-<i>N</i>-(1<i>H</i>-Tetrazol-5-ylmethyl)pyrrolidine-2-carboxamide dihydrate","Acta Crystallographica Section E","2006","62","12","o5927","o5928","10.1107/S1600536806050380","","","0.71073","MoKα","","0.0523","0.0503","","","0.1393","0.1413","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211370","6.5911","0.0014","7.7815","0.0017","31.125","0.007","90","","90","","90","","1596.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-Dioxopyrrolidin-1-yl (1<i>R</i>,2S,5<i>R</i>)-2-isopropyl-5-methylcyclohexyl carbonate","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C60 H92 N4 O20 -","4","1","DN2094","Wang, Tong-Jian; Fang, Hua; Cheng, Fang; Tang, Guo; Zhao, Yu-Fen","2,5-Dioxopyrrolidin-1-yl (1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyl carbonate","Acta Crystallographica Section E","2006","62","12","o5784","o5785","10.1107/S1600536806049774","","","0.71073","MoKα","","0.0633","0.0618","","","0.1259","0.1265","","","","","","1.387","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211390","4.7477","0.0009","11.415","0.002","16.798","0.003","90","","90","","90","","910.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-2-[(1,2,3-Thiadiazol-5-yl)iminomethyl]phenol","","- C9 H7 N3 O S -","- C9 H7 N3 O S -","- C36 H28 N12 O4 S4 -","4","1","FL2071","Gao, Jin-Sheng; Zhang, Shuang; Hou, Guang-Feng; Hou, Yan-Jun; Yan, Peng-Fei","(<i>E</i>)-2-[(1,2,3-Thiadiazol-5-yl)iminomethyl]phenol","Acta Crystallographica Section E","2006","62","12","o5462","o5463","10.1107/S1600536806046150","","","0.71073","MoKα","","0.0356","0.0286","","","0.0748","0.0896","","","","","","1.167","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211393","8.5208","0.0006","10.2582","0.0008","26.8066","0.0018","90","","90","","90","","2343.1","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cinchoninium 3-Carboxybenzoate","","- C27 H28 N2 O5 -","- C27 H28 N2 O5 -","- C108 H112 N8 O20 -","4","1","FL2074","Kui-Wu Wang; Hui-Min Zhang; Bo-Jun Zheng; li Peng; Zhi-Min Jin","Cinchoninium hydrogen isophthalate at 153K","Acta Crystallographica Section E","2006","62","12","o5791","o5793","10.1107/S1600536806048070","","","0.71073","MoKα","","0.0561","0.0486","","","0.1193","0.1243","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211420","12.479","0.002","14.978","0.002","29.272","0.003","90","","90","","90","","5471.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium benzoate trihydrate","","- C30 H38 N2 O9 -","- C30 H38 N2 O9 -","- C240 H304 N16 O72 -","8","2","HB2188","Agata Białońska; Zbigniew Ciunik","Brucinium benzoate trihydrate","Acta Crystallographica Section E","2006","62","12","o5817","o5819","10.1107/S160053680604829X","","","0.71073","MoKα","","0.12","0.0825","","","0.1228","0.1343","","","","","","1.185","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2211422","6.8711","0.0014","14.01","0.003","14.915","0.003","90","","90","","90","","1435.8","0.5","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(N,N-dimethylacetamide)(μ~5~-naphthalene-1,4-dicarboxylato)cadmium(II)]","","- C16 H15 Cd N O5 -","- C16 H15 Cd N O5 -","- C64 H60 Cd4 N4 O20 -","4","1","HB2191","Rong-Chang Zhang","Poly[(<i>N</i>,<i>N</i>-dimethylacetamide)(μ~5~-naphthalene-1,4-dicarboxylato)cadmium(II)]","Acta Crystallographica Section E","2006","62","12","m3312","m3314","10.1107/S1600536806046642","","","0.71073","MoKα","","0.0324","0.0282","","","0.0639","0.0671","","","","","","1.077","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211454","8.5865","0.0018","8.7487","0.0018","21.661","0.005","90","","90","","90","","1627.2","0.6","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-N,N'-Bis(2-pyridylmethylene)cyclohexane-1,2-diamine","","- C18 H20 N4 -","- C18 H20 N4 -","- C72 H80 N16 -","4","1","HK2140","Bo Liu; Ming-Jie Zhang; Jin Cui; Jie Zhu","(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-Bis(2-pyridylmethylene)cyclohexane-1,2-diamine","Acta Crystallographica Section E","2006","62","12","o5359","o5360","10.1107/S1600536806043388","","","0.7107","MoKα","","0.0414","0.0398","","","0.0958","0.0969","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211458","11.5381","0.0012","11.9979","0.0013","16.5192","0.0018","90","","90","","90","","2286.8","0.4","296","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Pt1","Chloro-(1R,3S)-1,3-diamino-1,2,2-trimethylcyclopentane(dimethyl sulphoxide) platinum(II) trichloro(dimethyl sulphoxide)platinum(II)","","- C12 H30 Cl4 N2 O2 Pt2 S2 -","- C12 H30 Cl4 N2 O2 Pt2 S2 -","- C48 H120 Cl16 N8 O8 Pt8 S8 -","4","1","HK2158","Jaramillo, David; Junk, Peter C.; Brodie, Craig R.; Aldrich-Wright, Janice R.","Chloro(dimethyl sulfoxide-κ<i>S</i>)[(1<i>R</i>,3<i>S</i>)-1,2,2-trimethylcyclopentane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>']platinum(II) trichloro(dimethyl sulfoxide-κ<i>S</i>)platinum(II)","Acta Crystallographica Section E","2006","62","12","m3377","m3379","10.1107/S1600536806047817","","","0.71073","MoKα","","0.0297","0.0276","","","0.0623","0.063","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211470","4.855","0.002","19.519","0.003","20.084","0.003","90","","90","","90","","1903.3","0.9","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Syringin monohydrate","4-(3-hydroxy-1-propenyl)-2,6-dimethoxyphenyl-β-D-glucopyranoside monohydrate","","- C17 H26 O10 -","- C17 H26 O10 -","- C68 H104 O40 -","4","1","IS2094","Yin, Ren-Jie; Wang, Xiao-Bing; Kong, Ling-Yi","Syringin monohydrate","Acta Crystallographica Section E","2006","62","12","o5728","o5730","10.1107/S1600536806048008","","","0.71073","MoKα","","0.1067","0.0571","","","0.13","0.1676","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211480","4.0635","0.0011","14.894","0.004","19.715","0.005","90","","90","","90","","1193.2","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-Chlorobenzyloxy)benzaldehyde","","- C14 H11 Cl O2 -","- C14 H11 Cl O2 -","- C56 H44 Cl4 O8 -","4","1","IS2112","Zhao, Yan-Li; Zhang, Qiao-Zhen; Chen, Xin; Yu, Ming","2-(4-Chlorobenzyloxy)benzaldehyde","Acta Crystallographica Section E","2006","62","12","o5891","o5892","10.1107/S1600536806050665","","","0.71073","MoKα","","0.0619","0.036","","","0.0735","0.0839","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211499","6.469","0.002","7.021","0.002","27.351","0.009","90","","90","","90","","1242.3","0.7","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-N'-(4-Fluorobenzylidene)isonicotinohydrazide monohydrate","","- C13 H12 F N3 O2 -","- C13 H12 F N3 O2 -","- C52 H48 F4 N12 O8 -","4","1","LH2222","Chen, Shi-Kun","(<i>E</i>)-<i>N</i>'-(4-Fluorobenzylidene)isonicotinohydrazide monohydrate","Acta Crystallographica Section E","2006","62","12","o5352","o5353","10.1107/S1600536806044977","","","0.71073","MoKα","","0.0545","0.0372","","","0.0875","0.0937","","","","","","0.979","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211522","6.1754","0.0002","6.6276","0.0005","22.772","0.002","90","","90","","90","","932.01","0.11","299","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 F N O -","- C8 H14 F N O -","- C32 H56 F4 N4 O4 -","4","1","LH2251","Fischer, Andreas","(<i>R</i>)-Phenylethanaminium fluoride monohydrate","Acta Crystallographica Section E","2006","62","12","o5834","o5835","10.1107/S1600536806049117","","","0.71073","MoKα","","0.0617","0.0455","","","0.1015","0.1128","","","","","","1.133","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211523","10.903","0.0013","11.3796","0.0014","34.293","0.004","90","","90","","90","","4254.8","0.9","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diphenylmethyl 3-azido-1,1-dioxocephalosporanate","","- C21 H20 N4 O5 S -","- C21 H20 N4 O5 S -","- C168 H160 N32 O40 S8 -","8","2","LH2252","Bai, Guo-Yi; Peng, Hong-Wei; Simpson, Jim; Chen, Yong; Li, Ying","Diphenylmethyl 3-azido-1,1-dioxocephalosporanate","Acta Crystallographica Section E","2006","62","12","o5716","o5718","10.1107/S1600536806048835","","","0.71073","MoKα","","0.0686","0.0416","","","0.0813","0.0915","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211532","8.2635","0.0011","12.5518","0.0016","25.02","0.003","90","","90","","90","","2595.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ru(II) complexe","Chloro(η^6^-p-cymene)[(1R)-(+)-3-(4-methoxybenzoyl)camphor(1-)- κ^2^O,O']ruthenium(II)","","- C28 H35 Cl O3 Ru -","- C28 H35 Cl O3 Ru -","- C112 H140 Cl4 O12 Ru4 -","4","1","NG2131","Ait Ali, Mustapha; Karim, Abdallah; Castanet, Yves; Mortreux, Andre; Mentré, Olivier","Chloro(η^6^-<i>p</i>-cymene)[(1<i>R</i>)-(+)-3-(4-methoxybenzoyl)camphor(1‒)-κ^2^<i>O</i>,<i>O</i>']ruthenium(II)","Acta Crystallographica Section E","2006","62","12","m3160","m3162","10.1107/S1600536806044655","","","0.71073","MoKα","","0.0437","0.0362","","","0.085","0.0884","","","","","","1.016","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211547","6.4586","0.0002","16.7064","0.0006","17.0965","0.0006","90","","90","","90","","1844.71","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Bis(η^6^-trimethylsilylbenzene)chromium(0)","","","- C18 H28 Cr Si2 -","- C18 H28 Cr Si2 -","- C72 H112 Cr4 Si8 -","4","1","NG2156","Braunschweig, Holger; Kupfer, Thomas","Bis(η^6^-trimethylsilylbenzene)chromium(0)","Acta Crystallographica Section E","2006","62","12","m3502","m3503","10.1107/S1600536806049154","","","0.71073","MoKα","","0.0279","0.0243","","","0.0654","0.0669","","","","","","1.082","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211552","11.987","0.004","16.926","0.006","9.209","0.003","90","","90","","90","","1868.4","1.1","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Δ~L~-(L-Cysteinato-κ^2^N,S)bis(ethylenediamine-κ^2^N,N')cobalt(III) bis(perchlorate) monohydrate","","- C7 H24 Cl2 Co N5 O11 S -","- C7 H24 Cl2 Co N5 O11 S -","- C28 H96 Cl8 Co4 N20 O44 S4 -","4","1","NG2163","Takashi Aridomi; Takumi Konno","Δ~L~-(<small>L</small>-Cysteinato-κ^2^<i>N</i>,<i>S</i>)bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) bis(perchlorate) monohydrate","Acta Crystallographica Section E","2006","62","12","m3554","m3556","10.1107/S1600536806050033","","","0.71069","MoKα","","0.0403","0.0358","","","0.0958","0.099","","","","","","1.065","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2211561","12.663","0.003","22.894","0.003","5.609","0.003","90","","90","","90","","1626.1","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aqua(L-phenylalaninato)(L-prolinato)copper(II) monohydrate","","- C14 H22 Cu N2 O6 -","- C14 H22 Cu N2 O6 -","- C56 H88 Cu4 N8 O24 -","4","1","OB2097","González, Ricardo; Suescun, Leopoldo; Mombrú, Álvaro W.; Kremer, Eduardo","Aqua(<small>L</small>-phenylalaninato)(<small>L</small>-prolinato)copper(II) monohydrate","Acta Crystallographica Section E","2006","62","12","m3459","m3461","10.1107/S1600536806048513","","","0.71069","MoKα","","0.0711","0.0571","","","0.1564","0.1681","","","","","","1.063","","","","has coordinates,has Fobs","199607","2020-10-21","18:00:00",""
"2211566","5.6147","0.0006","14.1789","0.0016","18.483","0.002","90","","90","","90","","1471.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[2-(phenylsulfonyl)ethyl]isoindoline-1,3-dione","","- C16 H13 N O4 S -","- C16 H13 N O4 S -","- C64 H52 N4 O16 S4 -","4","1","OM2061","Wang, Long-Shuo; Zhou, Fu-Hui; Li, Zhi-Gang; Deng, Jian-Cheng; Xu, Jing-Wei","2-[2-(Phenylsulfonyl)ethyl]isoindoline-1,3-dione","Acta Crystallographica Section E","2006","62","12","o5565","o5566","10.1107/S1600536806043959","","","0.71073","MoKα","","0.0358","0.0327","","","0.0783","0.0803","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211573","5.8527","0.0002","9.984","0.0003","20.3309","0.0006","90","","90","","90","","1188","0.06","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(4-Methylbenzylidene)-1-azabicyclo[2.2.2]octan-3-one","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","OM2071","Sonar, Vijayakumar N.; M. Venkataraj; Parkin, Sean; Crooks, Peter A.","(<i>Z</i>)-2-(4-Methylbenzylidene)-1-azabicyclo[2.2.2]octan-3-one","Acta Crystallographica Section E","2006","62","12","o5740","o5741","10.1107/S1600536806048963","","","0.71073","MoKα","","0.0667","0.0474","","","0.1165","0.1279","","","","","","1.069","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211580","7.594","0.002","9.604","0.003","19.932","0.006","90","","90","","90","","1453.7","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","trans-2-[4-(Diethylamino)styryl]pyridine","","- C17 H20 N2 -","- C17 H20 N2 -","- C68 H80 N8 -","4","1","RZ2073","Jiang, Xue-Yue; Xue, Zhao-Ming; Wu, Ke-Neng; Ma, Jian","<i>trans</i>-2-[4-(Diethylamino)styryl]pyridine","Acta Crystallographica Section E","2006","62","12","o5929","o5930","10.1107/S1600536806044254","","","0.71073","MoKα","","0.0671","0.0378","","","0.0789","0.0966","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211583","12.531","0.002","23.041","0.005","23.649","0.005","90","","90","","90","","6828","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Obacunone","","- C26 H30 O7 -","- C26 H30 O7 -","- C312 H360 O84 -","12","3","RZ2087","Xiang Zhou; Cheng Ji; Jie Fu; Ting Chen; Li, Yu-Guang","Obacunone","Acta Crystallographica Section E","2006","62","12","o5544","o5546","10.1107/S1600536806046885","","","0.71073","MoKα","","0.1019","0.0454","","","0.094","0.1125","","","","","","0.84","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211623","6.6826","0.0002","10.81","0.0003","23.8901","0.0006","90","","90","","90","","1725.79","0.08","100","0.1","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Tagalsin F","7-Ethenyl-1-[(Z)-hydroxymethylidene]-4b,7,10a-trimethylperhydrophenanthren-2-one","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","SJ2157","Hoong-Kun Fun; Charoen Pakathirathien; Suchada Chantrapromma; Chatchanok Karalai; Kan Chantrapromma","7-Ethenyl-1-[(<i>Z</i>)-hydroxymethylidene]-4b,7,10a-trimethylperhydrophenanthren-2-one","Acta Crystallographica Section E","2006","62","12","o5539","o5541","10.1107/S1600536806046277","","","0.71073","MoKα","","0.0458","0.0406","","","0.1","0.1062","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211646","10.1456","0.0015","10.761","0.0017","16.481","0.003","90","","90","","90","","1799.3","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butyl chloroacetate","","- C16 H19 Cl2 N3 O3 -","- C16 H19 Cl2 N3 O3 -","- C64 H76 Cl8 N12 O12 -","4","1","WK2032","Zhi-Qiang Hu; Kai Zhou; Qi Zhu; Zhong-Jie Xu; Wen-Zhao Bi","1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-2-butyl chloroacetate","Acta Crystallographica Section E","2006","62","12","o5836","o5837","10.1107/S1600536806044989","","","0.71073","MoKα","","0.0606","0.0362","","","0.0679","0.0752","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211661","6.7256","0.0014","12.92","0.003","14.091","0.003","90","","90","","90","","1224.4","0.5","88","2","88","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1L-1-Amino-1-deoxy-2,3,4,5-tetra-O-methyl-scyllo-inositol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","WN2082","Gainsford, Graeme J.; Lensink, Cornelis; Falshaw, Andrew; Mee, Simon P.H.","1<small>L</small>-1-Amino-1-deoxy-2,3,4,5-tetra-<i>O</i>-methyl-<i>scyllo</i>-inositol","Acta Crystallographica Section E","2006","62","12","o5411","o5413","10.1107/S1600536806045430","","","0.71073","MoKα","","0.0711","0.0332","","","0.0604","0.0648","","","","","","0.833","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211670","6.6433","0.0019","11.278","0.004","22.951","0.008","90","","90","","90","","1719.6","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pregna-1,4,9(11),16-tetraene-3,20-dione","","- C21 H24 O2 -","- C21 H24 O2 -","- C84 H96 O8 -","4","1","XU2130","Zhang, Guo-Lin; Peng, Hong-Yun","Pregna-1,4,9(11),16-tetraene-3,20-dione","Acta Crystallographica Section E","2006","62","12","o5534","o5535","10.1107/S1600536806046514","","","0.71073","MoKα","","0.073","0.039","","","0.097","0.124","","","","","","1.11","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211725","10.08","0.002","10.219","0.002","20.699","0.004","90","","90","","90","","2132.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bis(<i>N</i>-<i>tert</i>-buylsalicylaldiminato)iron(II)","bis[2-(<i>tert</i>-buyliminomethyl)phenolato-κ^2^N,O]iron(II)","","- C22 H28 Fe N2 O2 -","- C22 H28 Fe N2 O2 -","- C88 H112 Fe4 N8 O8 -","4","1","BI2102","Li, Min; Wang, Qi-Bao; Sun, Hong-Jian","Bis(<i>N</i>-<i>tert</i>-butylsalicylaldiminato)iron(II)","Acta Crystallographica Section E","2007","63","1","m57","m58","10.1107/S1600536806051464","","","0.71073","MoKα","","0.0442","0.0397","","","0.1025","0.1046","","","","","","1.101","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211727","4.6871","0.0004","6.1419","0.0004","32.047","0.002","90","","90","","90","","922.56","0.11","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Phenylethylammonium bromide","","- C8 H12 Br N -","- C8 H12 Br N -","- C32 H48 Br4 N4 -","4","1","BI2104","Rademeyer, Melanie","2-Phenylethylammonium bromide","Acta Crystallographica Section E","2007","63","1","o221","o223","10.1107/S1600536806051488","","","0.71073","MoKα","","0.054","0.032","","","0.057","0.0593","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211731","8.648","0.003","12.278","0.004","26.246","0.008","90","","90","","90","","2786.8","1.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Benzhydryl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)- 3-morpholinobut-2-enoate","","- C32 H31 N3 O4 S -","- C32 H31 N3 O4 S -","- C128 H124 N12 O16 S4 -","4","1","BI2111","Fu, De-Cai; Sun, Feng-Xia; Liu, Qian; Chen, Jin-Ping; Zhang, Jing","Benzhydryl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-morpholinobut-2-enoate","Acta Crystallographica Section E","2007","63","1","o264","o265","10.1107/S160053680605286X","","","0.7107","MoKα","","0.0459","0.0398","","","0.0779","0.0808","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211736","6.841","0.003","14.021","0.006","17.886","0.008","90","","90","","90","","1715.6","1.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(2-Methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazolidin-3(2H)-one","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","1","BI2117","Li, Zong-Xiao; Zhang, Xin-Li","4-[(2-Methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazolidin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2007","63","1","o357","o358","10.1107/S1600536806054171","","","0.71073","MoKα","","0.0891","0.0392","","","0.0753","0.0959","","","","","","1.006","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211741","7.8001","0.0002","9.8818","0.0012","14.9112","0.0006","90","","90","","90","","1149.34","0.15","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[aquabis(μ-pyrazine-2-carboxylato)nickel(II)]","","- C10 H8 N4 Ni O5 -","- C10 H8 N4 Ni O5 -","- C40 H32 N16 Ni4 O20 -","4","1","BR2022","Hao, Lu-Jiang; Mu, Chun-Hua; Liu, Tian-Tian","Poly[aquabis(μ-pyrazine-2-carboxylato)nickel(II)]","Acta Crystallographica Section E","2007","63","1","m281","m283","10.1107/S1600536806054225","","","0.71073","MoKα","","0.0397","0.0339","","","0.0804","0.0854","","","","","","1.003","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211756","6.062","0.0001","16.7794","0.0003","16.8881","0.0004","90","","90","","90","","1717.8","0.06","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-1-phenylethylammonium (R)-2-phenylbutyrate","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","CI2215","Fernandes, Philippe; Florence, Alastair; Shankland, Kenneth; Karamertzanis, Panos; Hulme, Ashley T; Anandamanoharan, Parathay","Powder study of (<i>R</i>)-1-phenylethylammonium (<i>R</i>)-2-phenylbutyrate form 2","Acta Crystallographica Section E","2007","63","1","o247","o249","10.1107/S1600536806052652","","","1.54056","CuKα~1~","","","","","","","","","","2.025","","","","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2211794","6.1357","0.0019","8.568","0.003","22.758","0.007","90","","90","","90","","1196.4","0.7","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(4S)-3-Benzyloxycarbonyl-4-methyl-1,3-oxazolidin-5-one","(4S)-Benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","DN2104","Lin, Kan; Fang, Mei-Juan; Tang, Guo; Wei, Zan-Bin; Zhao, Yu-Fen","(4<i>S</i>)-Benzyl 4-methyl-5-oxo-1,3-oxazolidine-3-carboxylate","Acta Crystallographica Section E","2007","63","1","o347","o348","10.1107/S1600536806052846","","","0.71073","MoKα","","0.0576","0.0556","","","0.1378","0.1391","","","","","","1.204","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211803","11.332","0.007","13.225","0.008","14.667","0.008","90","","90","","90","","2198","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10,13,17-Trimethyl-3-oxoperhydro-1H-cyclopenta[a]phenanthren-17-yl chloroacetate","","- C22 H33 Cl O3 -","- C22 H33 Cl O3 -","- C88 H132 Cl4 O12 -","4","1","EZ2052","Liu-Qing Sheng; Ren-Hua Zheng","10,13,17-Trimethyl-3-oxoperhydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl chloroacetate","Acta Crystallographica Section E","2007","63","1","o86","o87","10.1107/S1600536806050963","","","0.71073","MoKα","","0.082","0.06","","","0.138","0.15","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2211855","8.367","0.0017","8.773","0.0018","10.35","0.002","90","","90","","90","","759.7","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-acryloyl-L-alanine","","- C6 H9 N O3 -","- C6 H9 N O3 -","- C24 H36 N4 O12 -","4","1","HK2170","Lv, Zhi-Fang; Wu, Wen-Yuan; Zhang, Rong; Wang, Jin-Tang","<i>N</i>-Acryloyl-<small>L</small>-alanine","Acta Crystallographica Section E","2007","63","1","o191","o192","10.1107/S1600536806051828","","","0.71073","MoKα","","0.0384","0.0338","","","0.0796","0.0818","","","","","","1.078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211879","9.552","0.002","14.008","0.003","24.214","0.005","90","","90","","90","","3239.9","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-[tert-butoxycarbonyl-glycyl-(E)-α,β-dehydrophenylalanylglycylglycyl- (E)-α,β-dehydrophenylalanyl]glycine","","- C31 H36 N6 O9 -","- C31 H36 N6 O9 -","- C124 H144 N24 O36 -","4","1","LH2225","Makowski, Maciej; Lisowski, Marek; Iwona Mikołajczyk; Lis, Tadeusz","<i>N</i>-[<i>tert</i>-Butoxycarbonylglycyl-(<i>E</i>)-α,β-dehydrophenylalanylglycylglycyl-(<i>E</i>)-α,β-dehydrophenylalanyl]glycine","Acta Crystallographica Section E","2007","63","1","o19","o21","10.1107/S1600536806049841","","","1.5418","CuKα","","0.0657","0.0573","","","0.1429","0.1526","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211895","5.6662","0.0003","10.1801","0.0006","24.2927","0.0015","90","","90","","90","","1401.26","0.14","94","2","94","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena[[(4,7-phenanthrolin-4-ium-κN^7^)(thiocyanato-κ<i>S</i>)copper(I)]- μ-thiocyanato-κ^2^N:S]","","- C14 H9 Cu N4 S2 -","- C14 H9 Cu N4 S2 -","- C56 H36 Cu4 N16 S8 -","4","1","LH2274","LaDuca, Robert L.; Schottenfeld, Jodi; Rarig, Randy S.; Zubieta, Jon A.","A non-centrosymmetric one-dimensional coordination polymer: <i>catena</i>[[(4,7-phenanthrolin-4-ium-κ<i>N</i>^7^)(thiocyanato-κ<i>S</i>)copper(I)]-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section E","2007","63","1","m278","m280","10.1107/S1600536806054249","","","0.71073","MoKα","","0.043","0.0332","","","0.0612","0.0641","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211924","8.51","0.005","10.728","0.003","23.664","0.004","90","","90","","90","","2160.4","1.5","292","2","292","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(S-Methylcysteinato)(η^5^-pentamethylcyclopentadienyl)iridium(III) trifluoromethanesulfonate hemihydrate","","- C15 H24 F3 Ir N O5.5 S2 -","- C15 H24 F3 Ir N O5.5 S2 -","- C60 H96 F12 Ir4 N4 O22 S8 -","4","1","SA2020","Michael Scharwitz; Tobias van Almsick; William S. Sheldrick","(<i>S</i>-Methylcysteinato)(η^5^-pentamethylcyclopentadienyl)iridium(III) trifluoromethanesulfonate hemihydrate","Acta Crystallographica Section E","2007","63","1","m230","m232","10.1107/S1600536806053360","","","0.71073","MoKα","","0.0367","0.0319","","","0.0775","0.0803","","","","","","1.063","","","","has coordinates,has Fobs","199684","2020-10-21","18:00:00",""
"2211959","9.979","0.002","17.899","0.003","8.2712","0.0014","90","","90","","90","","1477.4","0.5","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Cinnamoyl-L-valine methyl ester","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","TK2109","Laurent F. Bornaghi; Sally-Ann Poulsen; Peter C. Healy; Alan R. White","<i>N</i>-Cinnamoyl-<small>L</small>-valine methyl ester","Acta Crystallographica Section E","2007","63","1","o44","o46","10.1107/S1600536806050355","","","0.71069","MoKα","","0.117","0.048","","","0.126","0.16","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211963","7.7905","0.0015","9.8787","0.0019","14.909","0.003","90","","90","","90","","1147.4","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(pyrazine-2-carboxylato)iron(II)]-μ-pyrazine-2-carboxylato]","","- C10 H8 Fe N4 O5 -","- C10 H8 Fe N4 O5 -","- C40 H32 Fe4 N16 O20 -","4","1","WM2076","Hao, Lu-Jiang; Liu, Tian-Tian","<i>catena</i>-Poly[[aqua(pyrazine-2-carboxylato)iron(II)]-μ-pyrazine-2-carboxylato]","Acta Crystallographica Section E","2007","63","1","m169","m171","10.1107/S1600536806053207","","","0.71073","MoKα","","0.0318","0.0276","","","0.0642","0.0672","","","","","","1.106","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2211970","5.5451","0.0002","14.5307","0.0005","26.7501","0.0007","90","","90","","90","","2155.37","0.12","183","2","183","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Formylphenyl-2,3,4,6-tetra-<i>O</i>-acetyl-α-D-glucopyranoside","3-Formylphenyl-2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside","","- C21 H24 O11 -","- C21 H24 O11 -","- C84 H96 O44 -","4","1","WN2106","Burkhardt, Anja; Buchholz, Axel; Görls, Helmar; Plass, Winfried","3-Formylphenyl-2,3,4,6-tetra-<i>O</i>-acetyl-α-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2007","63","1","o384","o386","10.1107/S1600536806053979","","","0.71073","MoKα","","0.0654","0.0433","","","0.0935","0.1036","","","","","","1.047","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211976","7.781","0.003","9.979","0.004","22.41","0.009","90","","90","","90","","1740.1","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17α-Hydroxypregna-1,4-diene-3,20-dione","","- C21 H28 O3 -","- C21 H28 O3 -","- C84 H112 O12 -","4","1","XU2160","Liu-Qing Sheng; Han-Min Pan; Chao-Tian Chen; Gang Chen","17α-Hydroxypregna-1,4-diene-3,20-dione","Acta Crystallographica Section E","2007","63","1","o325","o326","10.1107/S1600536806053633","","","0.71073","MoKα","","0.061","0.053","","","0.122","0.127","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2211981","5.0521","0.0001","6.9787","0.0002","31.151","0.0006","90","","90","","90","","1098.29","0.04","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,5-Dihydroxy-1-(3-nitrophenyl)pentan-3-one","","- C11 H13 N O5 -","- C11 H13 N O5 -","- C44 H52 N4 O20 -","4","1","XU2180","Long He","1,5-Dihydroxy-1-(3-nitrophenyl)pentan-3-one","Acta Crystallographica Section E","2007","63","1","o271","o272","10.1107/S1600536806053074","","","0.71073","MoKα","","0.027","0.027","","","0.073","0.073","","","","","","1.003","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212009","6.5756","0.0004","11.0565","0.0007","11.6622","0.0009","90","","90","","90","","847.88","0.1","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","L-(+)-bornesito","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","AV3033","Denise C. Endringer; John M. Pezzuto; Cristiane M. Soares; Fernão C. Braga","<small>L</small>-(+)-Bornesitol","Acta Crystallographica Section E","2007","63","2","o1067","o1068","10.1107/S1600536806037019","","","0.71073","MoKα","","0.043","0.034","","","0.081","0.085","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212022","7.9948","0.001","9.6751","0.001","15.8301","0.0008","90","","90","","90","","1224.5","0.2","299","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","trans-(1R,3S)-Methyl 1-methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylate","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","BI2118","Alam, Samina; Hasan, Mashood; Saeed, Sadaf; Fischer, Andreas; Khan, Naeema","<i>trans</i>-(1<i>R</i>,3<i>S</i>)-Methyl 1-methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylate","Acta Crystallographica Section E","2007","63","2","o871","o872","10.1107/S1600536807002577","","","0.71073","MoKα","","0.0479","0.0355","","","0.0772","0.0833","","","","","","1.102","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212063","5.5815","0.0018","7.352","0.002","12.579","0.004","90","","90","","90","","516.2","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3,4-diaminopyridine","3,4-diaminopyridine","","- C5 H7 N3 -","- C5 H7 N3 -","- C20 H28 N12 -","4","1","BT2244","Rubin-Preminger, Janice M.; Englert, Ulli","3,4-Diaminopyridine","Acta Crystallographica Section E","2007","63","2","o757","o758","10.1107/S1600536807001444","","","0.71073","MoKα","","0.0416","0.0363","","","0.0786","0.0806","","","","","","1.089","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212074","5.4849","0.0009","9.152","0.0013","19.867","0.004","90","","90","","90","","997.3","0.3","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-(p-Tolyl)ethylammonium chloride","(S)-(-)-1-(4-Methylphenyl)ethylammonium chloride","","- C9 H14 Cl N -","- C9 H14 Cl N -","- C36 H56 Cl4 N4 -","4","1","BV2046","Hernández, Guadalupe; Bernès, Sylvain; Portillo, Roberto; Gutiérrez, René","(<i>S</i>)-(‒)-1-(4-Methylphenyl)ethylammonium chloride","Acta Crystallographica Section E","2007","63","2","o1053","o1055","10.1107/S1600536807003753","","","0.71073","MoKα","","0.0526","0.0425","","","0.1088","0.1161","","","","","","1.031","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212090","10.004","0.001","12.086","0.001","17.434","0.002","90","","90","","90","","2107.9","0.4","295","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-3,3'-Dibromo-5,5',6,6',7,7',8,8'-octahydro-2,2'-dimethoxy-1,1'- binaphthalene","","- C22 H24 Br2 O2 -","- C22 H24 Br2 O2 -","- C88 H96 Br8 O8 -","4","1","CI2257","He, Long; Ng, Seik Weng","(<i>S</i>)-3,3'-Dibromo-5,5',6,6',7,7',8,8'-octahydro-2,2'-dimethoxy-1,1'-binaphthalene","Acta Crystallographica Section E","2007","63","2","o455","o456","10.1107/S160053680605536X","","","0.71073","MoKα","","0.082","0.045","","","0.099","0.114","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212120","7.1094","0.0009","12.0945","0.0015","19.731","0.003","90","","90","","90","","1696.6","0.4","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1H-Imidazole-κN^3^)[N-(2-oxidobenzyl)-L-leucinato-κ^3^O,N,O']copper(II)","","- C16 H21 Cu N3 O3 -","- C16 H21 Cu N3 O3 -","- C64 H84 Cu4 N12 O12 -","4","1","CV2169","Zhao, Gan-Qing; Xie, Ji-Min; Shao, Min; Sun, Lu; Song, Yuan-Zhi","(1<i>H</i>-Imidazole-κ<i>N</i>^3^)[<i>N</i>-(2-oxidobenzyl)-<small>L</small>-leucinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","Acta Crystallographica Section E","2007","63","2","m532","m534","10.1107/S1600536807001456","","","0.71073","MoKα","","0.0547","0.0436","","","0.1029","0.1107","","","","","","1.081","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212121","7.287","0.003","10.07","0.005","17.646","0.01","90","","90","","90","","1294.9","1.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Disodium diaquabis(malonato-κ^2^O,O')nickel(II) dihydrate","","- C6 H12 Na2 Ni O12 -","- C6 H12 Na2 Ni O12 -","- C24 H48 Na8 Ni4 O48 -","4","1","CV2171","Zhu Tao; Li Bao; Yang Guang-Di; Wu Li-Xin","Disodium diaquabis(malonato-κ^2^<i>O</i>,<i>O</i>')nickelate(II) dihydrate","Acta Crystallographica Section E","2007","63","2","m409","m410","10.1107/S1600536806055632","","","0.71073","MoKα","","0.038","0.0351","","","0.0808","0.0823","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212125","4.4639","0.0002","11.8463","0.0003","15.8514","0.0004","90","","90","","90","","838.23","0.05","173","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(1-Naphthyl)formamide","","- C11 H9 N O -","- C11 H9 N O -","- C44 H36 N4 O4 -","4","1","CV2175","Omondi, Bernard; Levendis, Demetrius C.; Naidoo, Nerona","<i>N</i>-(1-Naphthyl)formamide","Acta Crystallographica Section E","2007","63","2","o714","o716","10.1107/S1600536807000943","","","0.71073","MoKα","","","0.0303","","","","0.0804","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212142","7.79","0.006","8.329","0.004","19.575","0.012","90","","90","","90","","1270.1","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(2-methoxyphenoxy)phthalonitrile","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","DN2113","Ag̃ar, Ayşen; Ocak Ískeleli, Nazan","4-(2-Methoxyphenoxy)phthalonitrile","Acta Crystallographica Section E","2007","63","2","o712","o713","10.1107/S1600536807001055","","","0.71073","MoKα","","0.0342","0.0276","","","0.0678","0.0702","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212144","9.6183","0.0004","11.7082","0.0005","19.6458","0.0008","90","","90","","90","","2212.37","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Di-μ-chloro-bis({2-[(2-hydroxyethyl)iminomethyl]phenolato- κ^3^N,O,O'}nickel(II)) methanol solvate","","- C19 H24 Cl2 N2 Ni2 O5 -","- C19 H24 Cl2 N2 Ni2 O5 -","- C76 H96 Cl8 N8 Ni8 O20 -","4","1","DN2115","Van Hecke, Kristof; Nockemann, Peter; Binnemans, Koen; Van Meervelt, Luc","Di-μ-chloro-bis({2-[(2-hydroxyethyl)iminomethyl]phenolato-κ^3^<i>N</i>,<i>O</i>,<i>O</i>'}nickel(II)) methanol solvate","Acta Crystallographica Section E","2007","63","2","m569","m571","10.1107/S1600536807002292","","","1.54178","CuKα","","0.0493","0.0405","","","0.0994","0.1038","","","","","","1.098","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212152","6.3477","0.0002","12.4398","0.0003","14.1469","0.0005","90","","90","","90","","1117.1","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-C-Hydroxmethyl-2,3-O-isopropylidene-D-mannono-1,5-lactam","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C40 H68 N4 O24 -","4","1","FL2067","Bream, Richard; Hunter, Stuart J.; Fleet, George W.J.; Watkin, David J.","2-<i>C</i>-Hydroxymethyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-mannono-1,5-lactam","Acta Crystallographica Section E","2007","63","2","o621","o623","10.1107/S160053680700027X","","","0.71073","MoKα","","0.0341","0.0297","","0.0746","0.0726","0.0746","","","","","","0.9893","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212157","8.1279","0.0003","9.4993","0.0004","10.8126","0.0004","90","","90","","90","","834.83","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,5-Anhydro-2,3-O-isopropylidene-L-lyxofuranose","(1S,4S,5S,6R)-5,6-O-isopropylidene-2,7-dioxabicyclo[2.2.1]heptane-5,6-diol","","- C8 H12 O4 -","- C8 H12 O4 -","- C32 H48 O16 -","4","1","FL2085","Simone, Michela; Fleet, George W. J.; Watkin, David J.","1,5-Anhydro-2,3-<i>O</i>-isopropylidene-<small>L</small>-lyxofuranose [(1<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>)-5,6-<i>O</i>-isopropylidene-2,7-dioxabicyclo[2.2.1]heptane-5,6-diol]","Acta Crystallographica Section E","2007","63","2","o896","o897","10.1107/S160053680700311X","","","0.71073","MoKα","","0.0454","0.0307","","0.0492","0.0309","0.0309","","","","","","1.1446","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212167","7.2075","0.0002","9.5645","0.0003","12.9851","0.0005","90","","90","","90","","895.14","0.05","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-<i>O</i>-Isopropylidene-L-apiono-1,4-lactone","(3<i>S</i>,4<i>S</i>)-3,4-dihydroxy-4-(hydroxymethyl)-3,4-di- <i>O</i>-isopropylidene-dihydrofuran-2(3<i>H</i>)-one","","- C8 H12 O5 -","- C8 H12 O5 -","- C32 H48 O20 -","4","1","FL2098","Best, Daniel; Jenkinson, Sarah F.; David J. Watkin; Kathrine V. Booth; Fleet, George W. J.","2,3-<i>O</i>-Isopropylidene-<small>L</small>-apiono-1,4-lactone [(3<i>S</i>,4<i>S</i>)-3,4-dihydroxy-4-(hydroxymethyl)-3,4-di-<i>O</i>-isopropylidene-4,5-dihydrofuran-2(3<i>H</i>)-one]","Acta Crystallographica Section E","2007","63","2","o1056","o1057","10.1107/S1600536807004230","","","0.71073","MoKα","","0.0321","0.0298","","0.0738","0.0722","0.0738","","","","","","0.9547","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212172","6.71","0.0013","9.738","0.0019","28.383","0.006","90","","90","","90","","1854.6","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl <i>ent</i>-16β,17-epoxykauran-19-oate","","- C21 H32 O3 -","- C21 H32 O3 -","- C84 H128 O12 -","4","1","GK2048","Batista, Ronan; García, Pablo A.; Castro, María A.; del Corral, José M. Miguel; Sanz, Francisca; Speziali, Nivaldo L.; de Oliveira, Alaíde B.","Methyl <i>ent</i>-16β,17-epoxykauran-19-oate","Acta Crystallographica Section E","2007","63","2","o932","o933","10.1107/S1600536807002693","","","1.5418","CuKα","","0.0487","0.0367","","","0.0776","0.0816","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212214","12.503","0.0002","13.7366","0.0002","16.7164","0.0004","90","","90","","90","","2871.02","0.09","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,6-O,O-Diacetylswietenolide 0.25-hydrate","","- C31 H38.5 O10.25 -","- C31 H38.5 O10.25 -","- C124 H154 O41 -","4","1","HG2158","Robert G. Fowles; Baldwin S. Mootoo; Russel Ramsewak; William Reynolds; Alan J. Lough","3,6-Di-<i>O</i>-acetylswietenolide 0.25-hydrate","Acta Crystallographica Section E","2007","63","2","o660","o661","10.1107/S1600536806054432","","","0.71073","MoKα","","0.056","0.0388","","","0.0893","0.0977","","","","","","1.031","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2212244","9.2644","0.0002","10.7251","0.0002","12.9015","0.0002","90","","90","","90","","1281.91","0.04","230","0.1","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(2-methoxycarbonylacetamido)-3-methylbutyrate","","- C10 H17 N O5 -","- C10 H17 N O5 -","- C40 H68 N4 O20 -","4","1","IS2116","Zurina Shaameri; Norlida Kamarulzaman; Ahmad Sazali Hamzah; Shea-Lin Ng; Hoong-Kun Fun","Methyl 2-(2-methoxycarbonylacetamido)-3-methylbutyrate","Acta Crystallographica Section E","2007","63","2","o457","o458","10.1107/S1600536806054304","","","0.71073","MoKα","","0.0672","0.0481","","","0.1313","0.1469","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212245","7.8316","0.0004","21.025","0.0009","32.0885","0.0013","90","","90","","90","","5283.7","0.4","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-Glycoloyl-2-hydroxy-1,4b,7,10a-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a- decahydro-3(4H)-phenanthrenone","7-Glycoloyl-2-hydroxy-1,4b,7,10a-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a- decahydrophenanthren-3(4H)-one","","- C20 H30 O4 -","- C20 H30 O4 -","- C240 H360 O48 -","12","3","IS2118","Suchada Chantrapromma; Hoong-Kun Fun; Charoen Pakhathirathien; Chatchanok Karalai; Kan Chantrapromma","7-Glycoloyl-2-hydroxy-1,4b,7,10a-tetramethyl-4a,4b,5,6,7,8,8a,9,10,10a-decahydrophenanthren-3(4<i>H</i>)-one","Acta Crystallographica Section E","2007","63","2","o459","o461","10.1107/S1600536806054717","","","0.71073","MoKα","","0.0591","0.0476","","","0.1174","0.1344","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212257","10.3604","0.0002","10.7859","0.0002","21.0024","0.0004","90","","90","","90","","2346.94","0.08","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3aR,6S,6aR)-cis-6-Benzyl-1-(4-chlorophenyl)-5- tosylperhydropyrrolo[3,4-b]pyrrole","","- C26 H27 Cl N2 O2 S -","- C26 H27 Cl N2 O2 S -","- C104 H108 Cl4 N8 O8 S4 -","4","1","IS2140","K. Chinnakali; M. Poornachandran; R. Raghunathan; Hoong-Kun Fun","(3a<i>R</i>,6<i>S</i>,6a<i>R</i>)-<i>cis</i>-6-Benzyl-1-(4-chlorophenyl)-5-tosylperhydropyrrolo[3,4-<i>b</i>]pyrrole","Acta Crystallographica Section E","2007","63","2","o652","o653","10.1107/S1600536807000657","","","0.71073","MoKα","","0.0433","0.0367","","","0.0899","0.0939","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212280","5.6899","0.0002","11.3507","0.0004","18.5291","0.0009","90","","90","","90","","1196.69","0.08","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,5-Anhydro-N-benzyl-2-C-methyl-D-arabinonamide","(2S,3R,4R)-N-benzyl-3,4-dihydroxy-2-methyltetrahydrofuran-2-carboxamide","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","LH2277","Cox, Daniel J.; Håkansson, Anders E.; Fleet, George W. J.; Watkin, David J.","2,5-Anhydro-<i>N</i>-benzyl-2-<i>C</i>-methyl-<small>D</small>-arabinonamide [(2<i>S</i>,3<i>R</i>,4<i>R</i>)-<i>N</i>-benzyl-3,4-dihydroxy-2-methyltetrahydrofuran-2-carboxamide]","Acta Crystallographica Section E","2007","63","2","o574","o576","10.1107/S1600536806055322","","","0.71073","MoKα","","0.0525","0.0382","","0.0869","0.082","0.0869","","","","","","0.9254","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212296","7.2966","0.0012","5.0707","0.0009","20.238","0.003","90","","90","","90","","748.8","0.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-Poly[silver(I)-μ~3~-2-(pyrimidin-2-ylsulfanyl)acetate]","","- C6 H5 Ag N2 O2 S -","- C6 H5 Ag N2 O2 S -","- C24 H20 Ag4 N8 O8 S4 -","4","1","LN3032","Han, Lei; Zhou, Yan; Huang, Shi-Jie","<i>catena</i>-Poly[silver(I)-μ~3~-2-(pyrimidin-2-ylsulfanyl)acetate]: a one-dimensional chiral coordination polymer","Acta Crystallographica Section E","2007","63","2","m455","m457","10.1107/S1600536807000347","","","0.71073","MoKα","","0.0476","0.0448","","","0.1155","0.118","","","","","","1.109","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212306","8.56","0.0001","12.8018","0.0003","15.551","0.0004","90","","90","","90","","1704.13","0.06","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dioxobis(pentane-2,4-dionato)(dimethylformamide)uranium(VI)","","- C13 H21 N O7 U -","- C13 H21 N O7 U -","- C52 H84 N4 O28 U4 -","4","1","NG2190","Huuskonen, Juhani; Raatikainen, Kari; Rissanen, Kari","(Dimethylformamide)dioxobis(pentane-2,4-dionato)uranium(VI)","Acta Crystallographica Section E","2007","63","2","m413","m414","10.1107/S1600536807000141","","","0.7107","MoKα","","0.0311","0.0282","","0.0603","0.0593","0.0603","","","","","","0.9818","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2212326","5.7812","0.0006","7.5573","0.0008","37.412","0.004","90","","90","","90","","1634.5","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-2-Methylsulfanyl-1,4-di-p-tolylbut-2-ene-1,4-dione","","- C19 H18 O2 S -","- C19 H18 O2 S -","- C76 H72 O8 S4 -","4","1","OM2088","Gao, Meng; Chen, Ai-Hua; Cao, Li-Ping; Wang, Yu-Zhou","(<i>Z</i>)-2-Methylsulfanyl-1,4-di-<i>p</i>-tolylbut-2-ene-1,4-dione","Acta Crystallographica Section E","2007","63","2","o792","o793","10.1107/S1600536807001717","","","0.71073","MoKα","","0.091","0.0675","","","0.1414","0.1523","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212332","6.857","0.003","15.729","0.008","16.436","0.008","90","","90","","90","","1772.7","1.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(1H-Indol-3-ylmethyleneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C20 H18 N4 O -","- C20 H18 N4 O -","- C80 H72 N16 O4 -","4","1","RN2013","Zhou, Qing-Li; Jing, Zuo-Liang; Chen, Xin; Yu Ming","4-(1<i>H</i>-Indol-3-ylmethyleneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2007","63","2","o418","o419","10.1107/S1600536806054213","","","0.71073","MoKα","","0.0336","0.0274","","","0.0714","0.0743","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212341","8.9896","0.0005","10.3568","0.0006","21.3397","0.0013","90","","90","","90","","1986.8","0.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-4,4'-dimethyl-2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","1","RZ2106","Yang, Ming-Hua; Zheng, Yun-Fa; Yan, Guo-Bin","(<i>R</i>,<i>R</i>)-4,4'-Dimethyl-2,2'-[cyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenol","Acta Crystallographica Section E","2007","63","2","o982","o983","10.1107/S1600536807003571","","","0.71073","MoKα","","0.0532","0.0329","","","0.0693","0.0715","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212343","5.6735","0.0001","11.592","0.0002","23.2014","0.0004","90","","90","","90","","1525.89","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-3-phenyl-2-(tosylamino)propan-1-ol","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","RZ2110","K. Chinnakali; M. Poornachandran; R. Raghunathan; Hoong-Kun Fun","(<i>S</i>)-3-Phenyl-2-(tosylamino)propan-1-ol","Acta Crystallographica Section E","2007","63","2","o1030","o1031","10.1107/S1600536807003704","","","0.71073","MoKα","","0.0545","0.0413","","","0.0957","0.1124","","","","","","1.104","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212348","11.696","0.003","14.377","0.004","9.177","0.002","90","","90","","90","","1543.1","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4S)-tert-Butyl 4-amino-3-hydroxy-5-phenylpentanoate","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C60 H92 N4 O12 -","4","1","RZ2115","Zhang, Yu; Fang, Hua; Jin, Li-Ren; Zheng, Jian-Feng","(3<i>S</i>,4<i>S</i>)-<i>tert</i>-Butyl 4-amino-3-hydroxy-5-phenylpentanoate","Acta Crystallographica Section E","2007","63","2","o1051","o1052","10.1107/S1600536807004278","","","0.71073","MoKα","","0.0425","0.0399","","","0.1114","0.115","","","","","","0.854","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212382","5.4751","0.0009","9.4755","0.0014","17.885","0.004","90","","90","","90","","927.9","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(4-bromophenyl)cyclobutanone","","- C10 H9 Br O -","- C10 H9 Br O -","- C40 H36 Br4 O4 -","4","1","TK2116","Jem-Mau Lo; Mei-Hsun Chen; Jack Cheng; Chun-Yu Chen; Tian-Huey Lu","3-(4-Bromophenyl)cyclobutanone","Acta Crystallographica Section E","2007","63","2","o656","o657","10.1107/S1600536807000256","","","0.71073","MoKα","","0.144","0.06","","","0.121","0.146","","","","","","0.89","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212401","7.4919","0.0009","8.9946","0.0009","5.9158","0.0007","90","","90","","90","","398.65","0.08","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cobaltaustinite","calcium cobalt arsenate hydroxide","","- As Ca Co H O5 -","- As Ca Co H O5 -","- As4 Ca4 Co4 H4 O20 -","4","1","WM2088","Yang, Hexiong; Costin, Gelu; Keogh, John; Lu, Ren; Downs, Robert T.","Cobaltaustinite, CaCo(AsO~4~)(OH)","Acta Crystallographica Section E","2007","63","2","i53","i55","10.1107/S1600536807003029","","","0.71073","MoKα","","0.087","0.0448","","","0.0663","0.0775","","","","","","0.982","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212402","10.244","0.002","13.733","0.003","17.869","0.004","90","","90","","90","","2513.8","0.9","292","2","292","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(Diethylenetriamine-κ^3^N)(η^5^-pentamethylcyclopentadienyl)iridium(III) bis(trifluoromethanesulfonate)","","- C16 H28 F6 Ir N3 O6 S2 -","- C16 H28 F6 Ir N3 O6 S2 -","- C64 H112 F24 Ir4 N12 O24 S8 -","4","1","WM2089","Michael Scharwitz; Tobias van Almsick; William S. Sheldrick","(Diethylenetriamine-κ^3^<i>N</i>)(η^5^-pentamethylcyclopentadienyl)iridium(III) bis(trifluoromethanesulfonate)","Acta Crystallographica Section E","2007","63","2","m537","m539","10.1107/S1600536807002036","","","0.71073","MoKα","","0.0318","0.027","","","0.0621","0.0639","","","","","","1.051","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212428","5.0815","0.0002","13.5782","0.0008","24.3279","0.0012","90","","90","","90","","1678.57","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitro-N-[4-(4-nitrophenoxy)phenyl]benzamide","","- C19 H13 N3 O6 -","- C19 H13 N3 O6 -","- C76 H52 N12 O24 -","4","1","YM2044","Butt, M. Saeed; Akhter, Zareen; Bolte, Michael; Siddiqui, Humaira M.; Ehsan Shamsi","4-Nitro-<i>N</i>-[4-(4-nitrophenoxy)phenyl]benzamide","Acta Crystallographica Section E","2007","63","2","o476","o478","10.1107/S160053680605344X","","","0.71073","MoKα","","0.03","0.029","","","0.078","0.079","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212431","10.682","0.002","11.154","0.002","15.43","0.003","90","","90","","90","","1838.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(4-Bromophenyl)-5-(4-chlorophenyl)-1-phenyl-2-pyrazoline","","- C21 H16 Br Cl N2 -","- C21 H16 Br Cl N2 -","- C84 H64 Br4 Cl4 N8 -","4","1","AT2198","Huan-Mei Guo; Fang-Fang Jian; Hai-Lian Xiao; Xiao-Zheng Sun; Yu-Feng Li","3-(4-Bromophenyl)-5-(4-chlorophenyl)-1-phenyl-2-pyrazoline","Acta Crystallographica Section E","2007","63","3","o1435","o1436","10.1107/S160053680700102X","","","0.71073","MoKα","","0.0775","0.0437","","","0.1124","0.1243","","","","","","0.975","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212485","6.017","0.002","8.219","0.003","25.475","0.01","90","","90","","90","","1259.8","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-phencyphos monohydrate","2-Hydroxy-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinan-2-one monohydrate","","- C11 H17 O5 P -","- C11 H17 O5 P -","- C44 H68 O20 P4 -","4","1","BT2265","Samas, Brian; Groendyke, Todd; Blackburn, Anthony C; Godrej, Delara B","2-Hydroxy-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphorinan-2-one monohydrate","Acta Crystallographica Section E","2007","63","3","o1276","o1278","10.1107/S1600536807006496","","","0.71073","MoKα","","0.0355","0.0336","","","0.0827","0.0846","","","","","","1.108","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212489","4.8759","0.0005","9.511","0.0008","14.1724","0.0011","90","","90","","90","","657.24","0.1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1aR,2aS,5aS,5bS)-Perhydro-4H-oxireno[3,4]cyclopenta[1,2-b]furan-4-one","","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","BT2270","Christian Peifer; Melanie Tschertsche; Schollmeyer, Dieter; Stefan Laufer","(1a<i>R</i>,2a<i>S</i>,5a<i>S</i>,5b<i>S</i>)-Perhydro-4<i>H</i>-oxireno[3,4]cyclopenta[1,2-<i>b</i>]furan-4-one","Acta Crystallographica Section E","2007","63","3","o1359","o1360","10.1107/S160053680700743X","","","1.54178","CuKα","","0.0561","0.0418","","","0.1086","0.12","","","","","","0.974","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212492","4.8119","0.0002","13.8528","0.0006","15.6831","0.0007","90","","90","","90","","1045.41","0.08","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-(2-formylphenoxy)ethanoate‒ethyl 2-(2-carboxyphenoxy)ethanoate [0.682(7)/0.318(7)]","","- C11 H12 O4.32 -","- C11 H12 O4.318 -","- C44 H48 O17.272 -","4","1","BT2273","Williamson, Craig; Storey, John M. D.; Harrison, William T. A.","Ethyl 2-(2-formylphenoxy)ethanoate‒ethyl 2-(2-carboxyphenoxy)ethanoate [0.682(7)/0.318(7)]","Acta Crystallographica Section E","2007","63","3","o1426","o1427","10.1107/S1600536807007738","","","0.71073","MoKα","","0.057","0.0391","","","0.0887","0.0975","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2212499","8.3423","0.0002","8.6807","0.0002","13.7985","0.0003","90","","90","","90","","999.25","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,4R,4aS,9aR)-4-Hydroxyperhydrofuro[2,3-f]indolizin-7(2H)-one","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","BV2048","Švorc, Ľubomír; Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan; Žúžiová, Jozefína","(3a<i>R</i>,4<i>R</i>,4a<i>S</i>,9a<i>R</i>)-4-Hydroxyperhydrofuro[2,3-<i>f</i>]indolizin-7(2<i>H</i>)-one","Acta Crystallographica Section E","2007","63","3","o1452","o1454","10.1107/S1600536807008537","","","0.71073","MoKα","","0.0691","0.0392","","","0.0855","0.0912","","","","","","1.003","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212523","9.751","0.004","11.841","0.005","17.779","0.007","90","","90","","90","","2052.8","1.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β-Acetoxy-6α-chloro-5β-hydroxyandrostan-17-one","","- C21 H31 Cl O4 -","- C21 H31 Cl O4 -","- C84 H124 Cl4 O16 -","4","1","CV2193","Chun-Nian Xia; Wei-Xiao Hu; Wei Zhou; Bi-Wen Li","3β-Acetoxy-6α-chloro-5β-hydroxyandrostan-17-one","Acta Crystallographica Section E","2007","63","3","o1249","o1250","10.1107/S1600536807005740","","","0.71073","MoKα","","0.0589","0.0488","","","0.1143","0.1196","","","","","","0.984","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212541","4.3755","0.0011","6.2034","0.0015","26.912","0.006","90","","90","","90","","730.5","0.3","153.1","","153.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","7-Iodotropolone","2-Hydroxy-7-iodocyclohepta-2,4,6-trien-1-one","","- C7 H5 I O2 -","- C7 H5 I O2 -","- C28 H20 I4 O8 -","4","1","FB2041","Kubo, Kanji; Matsumoto, Taisuke; Mori, Akira","2-Hydroxy-7-iodocyclohepta-2,4,6-trien-1-one","Acta Crystallographica Section E","2007","63","3","o1297","o1299","10.1107/S1600536807006526","","","0.7107","MoKα","","","0.0194","","","","0.0447","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212550","6.5329","0.0002","11.5432","0.0005","12.3324","0.0005","90","","90","","90","","929.99","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(-)-cis-1-Acetyl-3-ethynyl-2,2-dimethylcyclobutane","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","FL2102","Malak, Muhammad H.; Lalancette, Roger A.; Thompson, Hugh W.","({-})-<i>cis</i>-1-Acetyl-3-ethynyl-2,2-dimethylcyclobutane","Acta Crystallographica Section E","2007","63","3","o1412","o1414","10.1107/S1600536807007386","","","1.54178","CuKα","","0.039","0.035","","","0.092","0.095","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212555","7.4972","0.0007","9.0288","0.0008","25.045","0.002","90","","90","","90","","1695.3","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Palonosetron hydrochloride","2-[(S)-1-azoniabicyclo[2.2.2]oct-3-yl]-2,3,3a,4,5,6-hexahydro-1H- benz[de]isoquinolin-1-one chloride","","- C19 H25 Cl N2 O -","- C19 H25 Cl N2 O -","- C76 H100 Cl4 N8 O4 -","4","1","GK2050","Krishnan Ravikumar; Balasubramanian Sridhar","An orthorhombic polymorph of palonosetron hydrochloride","Acta Crystallographica Section E","2007","63","3","o1404","o1406","10.1107/S1600536807007829","","","0.71073","MoKα","","0.0284","0.0277","","","0.0727","0.0731","","","","","","1.074","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212575","13.5596","0.0002","20.7303","0.0003","23.8169","0.0004","90","","90","","90","","6694.8","0.18","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diaquabis(3-hydroxybenzoato-κO)bis(1,10-phenanthroline-κ^2^N,N')barium(II)","","- C38 H30 Ba N4 O8 -","- C38 H30 Ba N4 O8 -","- C304 H240 Ba8 N32 O64 -","8","2","HB2293","Liu, Ji-Wei; Ng, Seik Weng","Diaquabis(3-hydroxybenzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')barium(II)","Acta Crystallographica Section E","2007","63","3","m808","m809","10.1107/S1600536807007477","","","0.71073","MoKα","","0.068","0.04","","","0.095","0.117","","","","","","1.03","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212585","7.3524","0.0013","13.91","0.003","18.135","0.003","90","","90","","90","","1854.7","0.6","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-Benzyl-2-nitro-N-(4-pyridylmethyl)benzenesulfonamide","","- C19 H17 N3 O4 S -","- C19 H17 N3 O4 S -","- C76 H68 N12 O16 S4 -","4","1","HG2172","Ying-Ying Zhang; Jiang-Sheng Li; Xiao-Li Zhou; Xiao-Peng Fan","<i>N</i>-Benzyl-2-nitro-<i>N</i>-(4-pyridylmethyl)benzenesulfonamide","Acta Crystallographica Section E","2007","63","3","o1285","o1286","10.1107/S1600536807006277","","","0.71073","MoKα","","0.0542","0.0358","","","0.0783","0.0869","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212611","6.3522","0.0001","15.6712","0.0002","17.994","0.0002","90","","90","","90","","1791.24","0.04","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Benzyl 6,6-dibromo-2β-chloromethyl-2α-methylpenicillanate","","- C15 H14 Br2 Cl N O3 S -","- C15 H14 Br2 Cl N O3 S -","- C60 H56 Br8 Cl4 N4 O12 S4 -","4","1","IM2001","Xi-Zhao Wang; Li-Na Pang; Jun-Zhi Liu; Fang-Gang Sun; Jian-Wu Wang","Benzyl 6,6-dibromo-2β-chloromethyl-2α-methylpenicillanate","Acta Crystallographica Section E","2007","63","3","o1184","o1185","10.1107/S1600536807004606","","","0.71073","MoKα","","0.0323","0.0246","","","0.0535","0.0553","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212613","12.0742","0.001","17.5445","0.0015","17.6675","0.0016","90","","90","","90","","3742.6","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Quinidine sesquihydrate","(1S,3R,4S,8R,9S)-4-[hydroxy(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)methyl]- 6-methoxyquinoline sesquihydrate","","- C20 H27 N2 O3.5 -","- C20 H27 N2 O3.5 -","- C160 H216 N16 O28 -","8","2","IS2114","Min-Jie Guo; Shu-Juan Zhang; Dong-Lan Sun; Zhi Fan","Quinidine sesquihydrate","Acta Crystallographica Section E","2007","63","3","o1483","o1484","10.1107/S1600536807006368","","","0.7107","MoKα","","0.0557","0.0484","","","0.1119","0.116","","","","","","1.101","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212627","8.786","0.001","11.449","0.001","34.306","0.002","90","","90","","90","","3450.9","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Guttiferone A","(1R,5R,7R,8S)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-8-methyl-1,5,7-tris(3- methyl-2-butenyl)-8-(4-methyl-3-pentenyl)bicyclo[3.3.1]non-3-ene-2,9-dione","","- C38 H50 O6 -","- C38 H50 O6 -","- C152 H200 O24 -","4","1","LH2291","Ndjakou Lenta, Bruno; Diderot Tchamo Noungoue; Krishna Prasad Devkota; Patrice Aime Fokou; Silvere Ngouela; Etienne Tsamo; Norbert Sewald","(1<i>R</i>*,5<i>R</i>*,7<i>R</i>*,8<i>S</i>*)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-8-methyl-1,5,7-tris(3-methyl-2-butenyl)-8-(4-methyl-3-pentenyl)bicyclo[3.3.1]non-3-ene-2,9-dione","Acta Crystallographica Section E","2007","63","3","o1282","o1284","10.1107/S1600536807005776","","","0.7107","MoKα","","0.0717","0.0471","","","0.0968","0.1052","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212635","6.3457","0.0002","12.053","0.0004","14.1034","0.0005","90","","90","","90","","1078.69","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,4-Dimethyl-3,4-<i>O</i>-isopropylidene-L-arabinono lactone","","- C10 H16 O5 -","- C10 H16 O5 -","- C40 H64 O20 -","4","1","LH2305","Booth, Kathrine V.; Watkin, David J.; Jenkinson, Sarah F.; Fleet, George W. J.","2,4-Dimethyl-3,4-<i>O</i>-isopropylidene-<small>L</small>-arabinono-1,5-lactone","Acta Crystallographica Section E","2007","63","3","o1128","o1130","10.1107/S160053680700476X","","","0.71073","MoKα","","0.0421","0.0384","","0.1016","0.0993","0.1016","","","","","","0.8603","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212663","6.0259","0.0004","15.6356","0.0009","16.0117","0.0011","90","","90","","90","","1508.6","0.17","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,3R,6S,7R)-3,7-Dichloro-trans-himachalane","","- C15 H26 Cl2 -","- C15 H26 Cl2 -","- C60 H104 Cl8 -","4","1","OM2105","Ourhriss, Najia; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha; Benharref, Ahmed","(1<i>S</i>,3<i>R</i>,6<i>S</i>,7<i>R</i>)-3,7-Dichloro-<i>trans</i>-himachalane","Acta Crystallographica Section E","2007","63","3","o1497","o1499","10.1107/S1600536807008409","","","0.71073","MoKα","","0.0386","0.0314","","","0.0805","0.09","","","","","","1.046","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212684","6.4353","0.0004","10.6994","0.0007","34.373","0.002","90","","90","","90","","2366.7","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-Methylbenzoyloxymethyl)-5-(5-methyl-2,4-dioxo-1,2,3,4- tetrahydropyrimidin-1-yl)tetrahydrofuran-3-yl 4-methylbenzoate","","- C26 H26 N2 O7 -","- C26 H26 N2 O7 -","- C104 H104 N8 O28 -","4","1","SG2131","Yathirajan, H. S.; Mayekar, Anil N.; Sarojini, B. K.; Narayana, B.; Bolte, Michael","2-(4-Methylbenzoyloxymethyl)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)tetrahydrofuran-3-yl 4-methylbenzoate","Acta Crystallographica Section E","2007","63","3","o1395","o1397","10.1107/S1600536807007246","","","0.71073","MoKα","","0.0447","0.0407","","","0.1065","0.1091","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212686","4.4481","0.0003","6.186","0.0003","33.048","0.002","90","","90","","90","","909.35","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 4-(bromomethyl)benzoate","","- C9 H9 Br O2 -","- C9 H9 Br O2 -","- C36 H36 Br4 O8 -","4","1","SG2133","Yathirajan, H. S.; Bindya, S.; Sarojini, B. K.; Narayana, B.; Bolte, Michael","Methyl 4-(bromomethyl)benzoate","Acta Crystallographica Section E","2007","63","3","o1334","o1335","10.1107/S1600536807007258","","","0.71073","MoKα","","0.0497","0.0479","","","0.1203","0.1227","","","","","","1.054","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212693","8.302","0.002","11.452","0.004","16.106","0.005","90","","90","","90","","1531.3","0.8","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-phenyl-6-benzoyl-2,3-dihydro-1H-pyrrolizine","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","1","SJ2202","Liu, Yu-min; Hu, Yong-qi; Li, Xiao-yun; Chen, Wei","6-Benzoyl-7-phenyl-2,3-dihydro-1<i>H</i>-pyrrolizine","Acta Crystallographica Section E","2007","63","3","o1106","o1107","10.1107/S1600536806056571","","","0.71073","MoKα","","0.1186","0.0445","","","0.0878","0.1081","","","","","","1.077","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212701","7.6115","0.0004","10.3015","0.0006","14.1723","0.0008","90","","90","","90","","1111.25","0.11","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6,6,7,7-Tetrachloro-5,6,7,8-tetrahydroquinoline-5,8-dione","","- C9 H3 Cl4 N O2 -","- C9 H3 Cl4 N O2 -","- C36 H12 Cl16 N4 O8 -","4","1","SJ2223","Cheng, Yu; An, Lin-Kun; Gu, Lian-Quan; Ng, Seik Weng","6,6,7,7-Tetrachloro-5,6,7,8-tetrahydroquinoline-5,8-dione","Acta Crystallographica Section E","2007","63","3","o1365","o1366","10.1107/S1600536807007398","","","0.71073","MoKα","","0.052","0.047","","","0.134","0.139","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212714","7.8611","0.0002","12.065","0.0003","13.1038","0.0004","90","","90","","90","","1242.82","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-santonide","(1R,3aS,6aS,9S)-(+)-α,3a,7-trimethyl-5-oxo-1,4-ethanoperhydropentalene- 1,8-carbolactone","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","TK2133","Zinczuk, Juan; Ruveda, Edmundo A.; Thompson, Hugh W.; Lalancette, Roger A.","(+)-Santonide, a sesquiterpenoid enol lactone derived from <i>Artemisia</i>","Acta Crystallographica Section E","2007","63","3","o1490","o1491","10.1107/S1600536807007982","","","1.54178","CuKα","","0.025","0.025","","","0.06","0.06","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212727","7.398","0.003","8.953","0.004","29.282","0.013","90","","90","","90","","1939.5","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","gelsevirine","Gelsevirine hydrochloride","","- C21 H25 Cl N2 O3 -","- C21 H25 Cl N2 O3 -","- C84 H100 Cl4 N8 O12 -","4","1","WN2113","Han, Hai-Bin; Yuan, Zhong; Xiao, Kai; Chen, Min-Qin; Zhang, Liming","Gelsevirine hydrochloride","Acta Crystallographica Section E","2007","63","3","o1369","o1371","10.1107/S1600536807006393","","","0.71073","MoKα","","0.0612","0.0489","","","0.1038","0.1086","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212728","7.7889","0.0001","17.0479","0.0003","21.2824","0.0003","90","","90","","90","","2825.97","0.07","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","5-O-<i>tert</i>-Butyldiphenylsilyl-2-C-hydroxymethyl- 2,3-O-isopropylidene-2'-O-trifluoromethanesulfonyl-D-ribono-1,4-lactone","","- C26 H31 F3 O8 S Si -","- C26 H31 F3 O8 S Si -","- C104 H124 F12 O32 S4 Si4 -","4","1","WN2114","Simone, Michela; Fleet, George W. J.; Watkin, David J.","5-<i>O</i>-<i>tert</i>-Butyldiphenylsilyl-2-<i>C</i>-hydroxymethyl-2,3-<i>O</i>-isopropylidene-2'-<i>O</i>-trifluoromethanesulfonyl-<small>D</small>-ribono-1,4-lactone","Acta Crystallographica Section E","2007","63","3","o1088","o1090","10.1107/S1600536807004436","","","0.71073","MoKα","","","0.0326","","","","0.0333","","","","","","1.0621","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212732","9.387","0.0002","14.9382","0.0003","18.2241","0.0004","90","","90","","90","","2555.47","0.09","293","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3,4,4-Trichloro-1-[4-(diphenylmethyl)piperazin-1-yl]-2-nitro- 1-(propylsulfanyl)buta-1,3-diene","","- C24 H26 Cl3 N3 O2 S -","- C24 H26 Cl3 N3 O2 S -","- C96 H104 Cl12 N12 O8 S4 -","4","1","WW2065","Ibis, Cemil; Deniz, N.Gulsah","3,4,4-Trichloro-1-[4-(diphenylmethyl)piperazin-1-yl]-2-nitro-1-(propylsulfanyl)buta-1,3-diene","Acta Crystallographica Section E","2007","63","3","o1091","o1092","10.1107/S1600536807004023","","","0.71073","MoKα","","","0.099","","","","0.1727","","","","","","1.542","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212737","3.8635","0.0004","6.4199","0.0006","29.589","0.003","90","","90","","90","","733.9","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,5-Difluorobenzohydrazide","","- C7 H6 F2 N2 O -","- C7 H6 F2 N2 O -","- C28 H24 F8 N8 O4 -","4","1","XU2198","Ghulam Qadeer; Nasim Hasan Rama; Muhammad Zareef; Wai-Yeung Wong","3,5-Difluorobenzohydrazide","Acta Crystallographica Section E","2007","63","3","o1176","o1177","10.1107/S1600536807005053","","","0.71073","MoKα","","0.0317","0.0306","","","0.0832","0.0843","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212738","6.8306","0.0004","13.614","0.0008","17.9391","0.001","90","","90","","90","","1668.19","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-4-[(2-Bromobenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one","","- C18 H16 Br N3 O -","- C18 H16 Br N3 O -","- C72 H64 Br4 N12 O4 -","4","1","XU2202","Wang, Liang-Gui; Zhang, Chu-Niu; Yan, Guo-Bing; Zheng, Yun-Fa; Yang, Ming-Hua","(<i>E</i>)-4-[(2-Bromobenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2007","63","3","o1247","o1248","10.1107/S1600536807006009","","","0.71073","MoKα","","0.072","0.051","","","0.139","0.145","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212757","7.4305","0.0004","8.2","0.0005","23.0148","0.0009","90","","90","","90","","1402.29","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,4-Dimethyl-2-phenyl-1-phosphaferrocene","","- C17 H17 Fe P -","- C17 H17 Fe P -","- C68 H68 Fe4 P4 -","4","1","AT2240","Scheibitz, Mathias; Lerner, Hans-Wolfram; Bolte, Michael","3,4-Dimethyl-2-phenyl-1-phosphaferrocene","Acta Crystallographica Section E","2007","63","4","m1118","m1119","10.1107/S1600536807012214","","","0.71073","MoKα","","0.0245","0.0238","","","0.0632","0.0636","","","","","","1.055","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212760","10.2018","0.0007","16.7019","0.0011","22.1016","0.0014","90","","90","","90","","3765.9","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","246TPST","2,4,6-tris(pyridin-2-ylsulfanyl)-1,3,5-triazine","","- C18 H12 N6 S3 -","- C18 H12 N6 S3 -","- C144 H96 N48 S24 -","8","2","AV3075","Galicia-López, Oscar; Morales-Morales, David; Hernández-Ortega, Simón","2,4,6-Tris(pyridin-2-ylsulfanyl)-1,3,5-triazine","Acta Crystallographica Section E","2007","63","4","o1635","o1637","10.1107/S1600536807010045","","","0.71073","MoKα","","0.092","0.0451","","","0.0493","0.0553","","","","","","0.808","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212790","7.806","0.002","15.064","0.003","21.247","0.003","90","","90","","90","","2498.4","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","13-Oxofumitremorgin B","5a-Hydroxy-9-methoxy-11-(3-methyl-2-butenyl)-12-(2-methyl-1-propenyl)- 2,3,11,12-tetrahydro-1H,5H- pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-b]indole- 5,6,14(5aH,14aH)-trione","","- C27 H31 N3 O5 -","- C27 H31 N3 O5 -","- C108 H124 N12 O20 -","4","1","BT2286","Fa-Zuo Wang; Min Zhang; Wei Sun; Qian-Qun Gu; Wei-Ming Zhu","5a-Hydroxy-9-methoxy-11-(3-methyl-2-butenyl)-12-(2-methyl-1-propenyl)-2,3,11,12-tetrahydro-1<i>H</i>,5<i>H</i>-pyrrolo[1'',2'':4',5']pyrazino[1',2':1,6]pyrido[3,4-<i>b</i>]indole-5,6,14(5a<i>H</i>,14a<i>H</i>)-trione","Acta Crystallographica Section E","2007","63","4","o1859","o1860","10.1107/S1600536807012056","","","0.71073","MoKα","","0.0768","0.0426","","","0.0997","0.1239","","","","","","1.068","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212793","8.266","0.004","12.848","0.007","22.977","0.012","90","","90","","90","","2440","2","292","2","292","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Chlorido(η^5^-pentamethylcyclopentadienyl)(1,10-phenanthroline- κ^2^N,N')iridium(III) trifluoromethanesulfonate","","- C23 H23 Cl F3 Ir N2 O3 S -","- C23 H23 Cl F3 Ir N2 O3 S -","- C92 H92 Cl4 F12 Ir4 N8 O12 S4 -","4","1","BT2291","Michael Scharwitz; Sven Schäfer; Tobias van Almsick; William S. Sheldrick","Chlorido(η^5^-pentamethylcyclopentadienyl)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iridium(III) trifluoromethanesulfonate","Acta Crystallographica Section E","2007","63","4","m1111","m1113","10.1107/S1600536807011750","","","0.71073","MoKα","","0.0692","0.0435","","","0.0685","0.0752","","","","","","1.014","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212794","9.5494","0.0007","9.6345","0.0007","26.3629","0.0019","90","","90","","90","","2425.5","0.3","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-)-<i>N</i>-[(3<i>R</i>)-3-(4-Chlorophenyl)-4-phenylbutananoyl]bornane-10,2- sultam","","- C26 H30 Cl N O3 S -","- C26 H30 Cl N O3 S -","- C104 H120 Cl4 N4 O12 S4 -","4","1","BT2293","Yan Lin; Xiu-Fang Cao; Ming Hu; Guang-Ao Yu; Sheng-Hua Liu","({-})-<i>N</i>-[(3<i>R</i>)-3-(4-Chlorophenyl)-4-phenylbutananoyl]bornane-10,2-sultam","Acta Crystallographica Section E","2007","63","4","o1872","o1873","10.1107/S1600536807012081","","","0.71073","MoKα","","0.0461","0.0419","","","0.1066","0.1104","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212798","6.768","0.0001","12.754","0.0002","30.183","0.0006","90","","90","","90","","2605.37","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Tirucalla-7,24-dien-3-one","","- C30 H48 O -","- C30 H48 O -","- C120 H192 O4 -","4","1","BT2297","Diderot Tchamo Noungoue; Ndjakou Lenta, Bruno; Annelise Lobstein; Silvere Ngouela; Etienne Tsamo","Tirucalla-7,24-dien-3-one","Acta Crystallographica Section E","2007","63","4","o2038","o2039","10.1107/S1600536807012949","","","0.71073","MoKα","","0.0637","0.0451","","","0.1061","0.1154","","","","","","1.019","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212801","7.9987","0.0006","12.8279","0.0009","20.2396","0.0014","90","","90","","90","","2076.7","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","zolmitriptan.chloroform","(S)-4-[3-{2-(dimethylamino)ethyl}-1H-indol-5-yl methyl]-2-oxazolidinone. chloroform solvate","","- C17 H22 Cl3 N3 O2 -","- C17 H22 Cl3 N3 O2 -","- C68 H88 Cl12 N12 O8 -","4","1","BT2300","B. Sridhar; K. Ravikumar; Harihara Krishnan","Zolmitriptan chloroform solvate","Acta Crystallographica Section E","2007","63","4","o1961","o1962","10.1107/S1600536807014092","","","0.71073","MoKα","","0.0917","0.0789","","","0.2269","0.2427","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2212850","7.06","0.004","11.282","0.006","22.982","0.008","90","","90","","90","","1830.5","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-2-[(3R,4S)-3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin- 2-yl]cyclohexanol","","- C22 H27 N O -","- C22 H27 N O -","- C88 H108 N4 O4 -","4","1","DN2138","Ben Ali, Karim; Chiaroni, Angèle; Bohe, Luis","(1<i>S</i>,2<i>S</i>)-2-[(3<i>R</i>,4<i>S</i>)-3-Methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-yl]cyclohexanol","Acta Crystallographica Section E","2007","63","4","o1719","o1720","10.1107/S1600536807010811","","","0.71073","MoKα","","0.0652","0.0465","","","0.1101","0.1192","","","","","","1.172","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212854","13.4486","0.0011","12.7471","0.001","7.5183","0.0006","90","","90","","90","","1288.87","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-2-[(2-methoxyphenylimino)methyl]-4-methylphenol","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","DN2145","Kartal, Aslı; Albayrak, Çig̃dem; Ocak Ískeleli, Nazan; Ag̃ar, Erbil; Erdönmez, Ahmet","(<i>E</i>)-2-[(2-Methoxyphenylimino)methyl]-4-methylphenol","Acta Crystallographica Section E","2007","63","4","o1878","o1879","10.1107/S1600536807012652","","","0.71073","MoKα","","0.0376","0.0319","","","0.0871","0.09","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212855","10.138","0.002","10.2597","0.0019","11.0305","0.0019","90","","90","","90","","1147.3","0.4","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-methylphenyl)-2,2,2-trimethylacetamide","","- C12 H17 N O -","- C12 H17 N O -","- C48 H68 N4 O4 -","4","1","DN2146","Gowda, B. Thimme; Kozisek, Jozef; Tokarčík, Miroslav; Fuess, Hartmut","2,2,2-Trimethyl-<i>N</i>-(2-methylphenyl)acetamide","Acta Crystallographica Section E","2007","63","4","o1983","o1984","10.1107/S1600536807013918","","","0.71073","MoKα","","0.0839","0.0795","","","0.2157","0.2219","","","","","","1.1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212856","6.6955","0.0006","15.2156","0.0013","17.7423","0.0015","90","","90","","90","","1807.5","0.3","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Benzylamino-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphinane-2-thione","","- C18 H22 N O2 P S -","- C18 H22 N O2 P S -","- C72 H88 N4 O8 P4 S4 -","4","1","ER2014","Jin-Song Chu; Shi-Guan Wan; Yan Yu; Chang Liu; Xing-Yu Yang","2-Benzylamino-5,5-dimethyl-4-phenyl-1,3,2-dioxaphosphinane-2-thione","Acta Crystallographica Section E","2007","63","4","o1540","o1541","10.1107/S1600536807007076","","","0.71073","MoKα","","0.0856","0.0479","","","0.1014","0.1163","","","","","","0.961","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212858","9.0643","0.0007","11.422","0.0009","14.632","0.0012","90","","90","","90","","1514.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","zolmitriptan","(S)-4-{3-[2-(dimethylamino)ethyl]-1H-indol-5-ylmethyl}oxazolidin-2-one","","- C16 H21 N3 O2 -","- C16 H21 N3 O2 -","- C64 H84 N12 O8 -","4","1","ER2030","K. Ravikumar; B. Sridhar; Harihara Krishnan","Zolmitriptan, an antimigraine drug","Acta Crystallographica Section E","2007","63","4","o1774","o1776","10.1107/S1600536807011439","","","0.71073","MoKα","","0.0418","0.0402","","","0.1057","0.1074","","","","","","1.124","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212865","6.2165","0.0001","9.7821","0.0002","19.388","0.0005","90","","90","","90","","1178.99","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Azido-2-deoxy-2,4-<i>C</i>-dimethyl-3,4-<i>O</i>-isopropylidene-L-ribono- 1,5-lactone","","- C10 H15 N3 O4 -","- C10 H15 N3 O4 -","- C40 H60 N12 O16 -","4","1","FL2104","Booth, Kathrine V.; Watkin, David J.; Jenkinson, Sarah F.; Fleet, George W. J.","2-Azido-2-deoxy-2,4-<i>C</i>-dimethyl-3,4-<i>O</i>-isopropylidene-<small>L</small>-ribono-1,5-lactone","Acta Crystallographica Section E","2007","63","4","o1759","o1760","10.1107/S1600536807010598","","","0.71073","MoKα","","0.0422","0.0317","","0.0732","0.0698","0.0732","","","","","","0.9148","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212866","7.177","0.003","10.662","0.008","16.238","0.012","90","","90","","90","","1242.6","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(2-Chloro-4-hydroxyphenyl)-1-thioisocoumarin","","- C15 H9 Cl O2 S -","- C15 H9 Cl O2 S -","- C60 H36 Cl4 O8 S4 -","4","1","FL2105","Saeed, Aamer; Ritch, Jamie S.; Parvez, Masood","3-(2-Chloro-4-hydroxyphenyl)-1-thioisocoumarin","Acta Crystallographica Section E","2007","63","4","o1701","o1703","10.1107/S1600536807010173","","","0.71073","MoKα","","0.045","0.0395","","","0.102","0.107","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212875","12.294","0.0002","19.137","0.0003","32.5842","0.0006","90","","90","","90","","7666.1","0.2","153","2","571","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(2R,3R)-O,O'-Dibenzoyl-(2R,3R)-tartaric acid‒hexamethylphosphoramide (1/2)","","- C30 H50 N6 O10 P2 -","- C30 H50 N6 O10 P2 -","- C240 H400 N48 O80 P16 -","8","2","GK2052","Yi-Jian Zhang; Shu Zhan; Wen-Jie Feng; Mei-Chao Li; Zhi-Min Jin","({-})-(2<i>R</i>,3<i>R</i>)-<i>O</i>,<i>O</i>'-Dibenzoyl-(2<i>R</i>,3<i>R</i>)-tartaric acid‒hexamethylphosphoramide (1/2)","Acta Crystallographica Section E","2007","63","4","o1546","o1548","10.1107/S1600536807008380","","","0.71073","MoKα","","0.0361","0.0351","","","0.0976","0.0985","","","","","","1.049","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212904","5.478","0.0017","8.057","0.003","13.642","0.005","90","","90","","90","","602.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-Tetrahydrofuran-2-carboxamide","","- C5 H9 N O2 -","- C5 H9 N O2 -","- C20 H36 N4 O8 -","4","1","HB2329","Cui Jian-Lan; Cao, Duan-Lin; Cai, Jian-Bo","(<i>S</i>)-Tetrahydrofuran-2-carboxamide","Acta Crystallographica Section E","2007","63","4","o1973","o1974","10.1107/S1600536807012743","","","0.71073","MoKα","","0.0566","0.0377","","","0.0883","0.1","","","","","","1.039","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212920","7.435","0.002","12.168","0.003","35.664","0.004","90","","90","","90","","3226.5","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Brucinium hydrogen N-(4-nitrobenzoyl)-L-aspartate dihydrate","","- C34 H40 N4 O13 -","- C34 H39 N4 O13 -","- C136 H156 N16 O52 -","4","1","HG2210","Agata Białońska; Zbigniew Ciunik","Brucinium hydrogen <i>N</i>-(4-nitrobenzoyl)-<small>L</small>-aspartate dihydrate","Acta Crystallographica Section E","2007","63","4","o2002","o2004","10.1107/S1600536807013244","","","0.71073","MoKα","","0.1242","0.083","","","0.1702","0.1932","","","","","","1.118","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2212925","8.077","0.0016","10.045","0.002","12.238","0.002","90","","90","","90","","992.9","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2',4'-Difluorophenyl)-2-(1H-imidazol-1-yl)ethanone","","- C11 H8 F2 N2 O -","- C11 H8 F2 N2 O -","- C44 H32 F8 N8 O4 -","4","1","HK2200","Lin Yuan; Xiao Tao; Bin Xu; Wenyuan Wu; Wang, Jin-tang","1-(2,4-Difluorophenyl)-2-(1<i>H</i>-imidazol-1-yl)ethanone","Acta Crystallographica Section E","2007","63","4","o1640","o1641","10.1107/S1600536807009853","","","0.71073","MoKα","","0.0627","0.0392","","","0.0935","0.1069","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212961","6.7824","0.0002","9.6297","0.0003","12.0727","0.0005","90","","90","","90","","788.5","0.05","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-Deoxy-β-L-fructopyranose monohydrate","","- C6 H14 O6 -","- C6 H14 O6 -","- C24 H56 O24 -","4","1","LH2338","Izumori, Ken; Jenkinson, Sarah F.; Watkin, David J.; Fleet, George W. J.","1-Deoxy-β-<small>L</small>-fructopyranose monohydrate","Acta Crystallographica Section E","2007","63","4","o1882","o1884","10.1107/S1600536807012512","","","0.71073","MoKα","","0.0458","0.0373","","0.0914","0.0888","0.0914","","","","","","0.9221","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2212999","6.978","0.0014","9.584","0.0019","24.478","0.005","90","","90","","90","","1637","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2-Aminophenyl)-1-[(1S,2R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept- 1-yl]methanesulfonamide","","- C16 H24 N2 O3 S -","- C16 H24 N2 O3 S -","- C64 H96 N8 O12 S4 -","4","1","SI2003","Maurin, Jan K.; Krukowski, Andrzej; Czarnocki, Zbigniew","<i>N</i>-(2-Aminophenyl)-1-[(1<i>S</i>,2<i>R</i>)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methanesulfonamide, a new ligand for asymmetric transfer hydrogenation","Acta Crystallographica Section E","2007","63","4","o1593","o1595","10.1107/S1600536807009701","","","0.71073","MoKα","","0.1024","0.0601","","","0.1554","0.1826","","","","","","1.05","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213030","7.761","0.001","9.659","0.001","20.145","0.001","90","","90","","90","","1510.1","0.3","103","","103","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Amino-4-(4-chloro-3-methylphenyl)-5-propyl-1,3-thiazolium iodide","","- C13 H16 Cl I N2 S -","- C13 H16 Cl I N2 S -","- C52 H64 Cl4 I4 N8 S4 -","4","1","SQ3066","Maksymilian Chruszcz; Yali Kong; Zbigniew Dauter; Milton Brown; Wladek Minor","2-Amino-4-(4-chloro-3-methylphenyl)-5-propyl-1,3-thiazolium iodide","Acta Crystallographica Section E","2007","63","4","o1598","o1600","10.1107/S1600536807009427","","","0.71074","MoKα","","0.0323","0.0268","","","0.0699","0.0721","","","","","","1.01","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2213039","5.9494","0.0009","15.586","0.002","20.255","0.003","90","","90","","90","","1878.2","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Supermesityltellurenyl bromide","2,4,6-Tri-tert-butylphenyltellurium bromide","","- C18 H29 Br Te -","- C18 H29 Br Te -","- C72 H116 Br4 Te4 -","4","1","TK2139","Beckmann, Jens; Hesse, Malte","Supermesityltellurenyl bromide","Acta Crystallographica Section E","2007","63","4","o1674","o1675","10.1107/S1600536807009749","","","0.71073","MoKα","","0.025","0.02","","","0.044","0.045","","","","","","1.04","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213047","13.478","0.002","19.1167","0.0014","25.2951","0.0017","90","","90","","90","","6517.4","1.2","295","2","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","1,3-Bi-9-anthrylpropane","","- C31 H24 -","- C31 H24 -","- C372 H288 -","12","3","WK2044","Arslan, Mustafa; Asker, Erol; Masnovi, John; Baker, Ronald J.","1,3-Bi-9-anthrylpropane","Acta Crystallographica Section E","2007","63","4","o1800","o1801","10.1107/S1600536807010781","","","0.71073","MoKα","","","0.0436","","","","0.1033","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213062","7.3611","0.0002","7.8658","0.0002","28.1797","0.0009","90","","90","","90","","1631.63","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2'-Bipyridinium 2-carboxy-4,6-dinitrophenolate","","- C17 H12 N4 O7 -","- C17 H12 N4 O7 -","- C68 H48 N16 O28 -","4","1","XU2209","Wen-Dong Song; Xian-Xia Guo; Li Yu","2,2'-Bipyridinium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section E","2007","63","4","o1890","o1891","10.1107/S1600536807011981","","","0.71073","MoKα","","0.096","0.051","","","0.102","0.121","","","","","","0.985","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213111","6.636","0.003","6.98","0.003","18.98","0.008","90","","90","","90","","879.1","0.7","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[μ~3~-isonicotinato-κ^3^N:O:O')(μ~4~-tetraoxidochromato- κ^5^O:O':O',O'':O'')erbium(III)]","","- C6 H4 Cr Er N O6 -","- C6 H4 Cr Er N O6 -","- C24 H16 Cr4 Er4 N4 O24 -","4","1","BG2036","Liu, Jiu-Hui; Huang, Chun-Fang; Li, Mei","Poly[(μ~3~-isonicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')(μ~4~-tetraoxidochromato-κ^5^<i>O</i>:<i>O</i>':<i>O</i>',<i>O</i>'':<i>O</i>'')erbium(III)]","Acta Crystallographica Section E","2007","63","5","m1185","m1187","10.1107/S1600536807012536","","","0.71073","MoKα","","0.0283","0.023","","","0.0562","0.0754","","","","","","1.008","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213159","20.9376","0.0011","10.5821","0.0006","11.0154","0.0006","90","","90","","90","","2440.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3aR,6S,6aR)-6-Benzyl-1-(4-bromophenyl)-5-tosyl-cis- perhydropyrrolo[3,4-b]pyrrole","","- C26 H27 Br N2 O2 S -","- C26 H27 Br N2 O2 S -","- C104 H108 Br4 N8 O8 S4 -","4","1","BT2311","K. N. Vennila; D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran","(3a<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-Benzyl-1-(4-bromophenyl)-5-tosyl-<i>cis</i>-perhydropyrrolo[3,4-<i>b</i>]pyrrole","Acta Crystallographica Section E","2007","63","5","o2228","o2229","10.1107/S1600536807016194","","","0.71073","MoKα","","0.0709","0.0479","","","0.1418","0.1529","","","","","","1.073","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213207","7.8671","0.0004","13.6413","0.0007","17.42","0.0009","90","","90","","90","","1869.47","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","6-ethyl-1-(p-flurophenyl)-5-benzene sulfonyloctahydro-cis-\ pyrrolo[3,4-b]pyrrole","","- C20 H23 F N2 O2 S -","- C20 H23 F N2 O2 S -","- C80 H92 F4 N8 O8 S4 -","4","1","CI2323","S. Sundaramoorthy; D. Gayathri; D. Velmurugan; K. Ravikumar; M. Poornachandran","6-Ethyl-1-(4-fluorophenyl)-5-(phenylsulfonyl)perhydro-<i>cis</i>-pyrrolo[3,4-<i>b</i>]pyrrole","Acta Crystallographica Section E","2007","63","5","o2057","o2059","10.1107/S1600536807013943","","","0.71073","MoKα","","0.0681","0.0569","","","0.1406","0.1502","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213211","8.1022","0.0002","9.9925","0.0002","24.8288","0.0005","90","","90","","90","","2010.17","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Benzoyl-6-ethyl-5-(phenylsulfonyl)perhydropyrrolo[3,4-b]pyrrole","","- C21 H26 N2 O2 S -","- C21 H26 N2 O2 S -","- C84 H104 N8 O8 S4 -","4","1","CI2327","E. Theboral Sugi Kamala; K. Palani; L. Sudha; M. Poornachandran; R. Raghunathan","1-Benzoyl-6-ethyl-5-(phenylsulfonyl)perhydropyrrolo[3,4-<i>b</i>]pyrrole","Acta Crystallographica Section E","2007","63","5","o2256","o2257","10.1107/S1600536807014973","","","0.71073","MoKα","","0.0622","0.0453","","","0.1156","0.1274","","","","","","1.051","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213234","9.8693","0.001","11.7844","0.0012","18.0029","0.0018","90","","90","","90","","2093.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl N'-(17β-hydroxyandrost-1-en-3-ylidene)hydrazinedithiocarboxylate","","- C21 H32 N2 O S2 -","- C21 H32 N2 O S2 -","- C84 H128 N8 O4 S8 -","4","1","CI2351","Li-Ming Zhang; Wei-Xiao Hu; Chun-Nian Xia","Methyl <i>N</i>'-(17β-hydroxyandrost-1-en-3-ylidene)hydrazinedithiocarboxylate","Acta Crystallographica Section E","2007","63","5","o2467","o2468","10.1107/S1600536807016868","","","0.71073","MoKα","","0.0479","0.0376","","","0.1009","0.1084","","","","","","1.057","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213238","6.1806","0.0001","9.2755","0.0002","19.4579","0.0004","90","","90","","90","","1115.49","0.04","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(10aS)-6-Methoxy-1,10a-dihydropyrrolo[1,2-b]isoquinoline-3,10(2H,5H)-dione","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","CI2358","Švorc, Ľubomír; Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan; Žúžiová, Jozefína","(10a<i>S</i>)-6-Methoxy-1,10a-dihydropyrrolo[1,2-<i>b</i>]isoquinoline-3,10(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2007","63","5","o2444","o2444","10.1107/S1600536807017072","","","0.71073","MoKα","","0.0373","0.0311","","","0.0774","0.0866","","","","","","1.051","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213254","8.3272","0.0002","10.0252","0.0002","19.173","0.0004","90","","90","","90","","1600.6","0.06","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl 2-[(E)-(hydroxyimino)methyl]-6-methyl-4-(2-thienyl)- 1,4-dihydropyridine-3,5-dicarboxylate","","- C15 H16 N2 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","1","CS2032","Švorc, Ľubomír; Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan; Šafář Peter","Dimethyl 2-[(<i>E</i>)-(hydroxyimino)methyl]-6-methyl-4-(2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2007","63","5","o2240","o2242","10.1107/S1600536807014122","","","0.71073","MoKα","","0.0571","0.0344","","","0.0795","0.085","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213260","8.419","0.0006","11.496","0.0008","31.541","0.002","90","","90","","90","","3052.7","0.4","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(6aR)-1-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-(methylcarbonyloxy)perhydro- 4-picenylmethyl acetate","","- C34 H56 O5 -","- C34 H56 O5 -","- C136 H224 O20 -","4","1","CV2220","Oxana B. Flekhter; Natalya I. Medvedeva; Kyrill Yu. Suponitsky","(6a<i>R</i>)-1-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-(methylcarbonyloxy)perhydro-4-picenylmethyl acetate","Acta Crystallographica Section E","2007","63","5","o2289","o2290","10.1107/S1600536807015231","","","0.71073","MoKα","","0.0827","0.0441","","","0.0665","0.0713","","","","","","0.983","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213262","7.633","0.0012","9.927","0.0016","22.766","0.004","90","","90","","90","","1725","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17β-Ethynyl-17α-hydroxyandrosta-1,4-dien-3-one","","- C21 H26 O2 -","- C21 H26 O2 -","- C84 H104 O8 -","4","1","CV2222","Qiu-Xia Zhang; Hua-Feng Shen; Ting-Ting Mao","17β-Ethynyl-17α-hydroxyandrosta-1,4-dien-3-one","Acta Crystallographica Section E","2007","63","5","o2353","o2354","10.1107/S1600536807015371","","","0.71073","MoKα","","0.0465","0.0371","","","0.0928","0.0993","","","","","","1.026","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213265","10.2066","0.0011","10.6427","0.0011","15.587","0.0017","90","","90","","90","","1693.2","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methyl-2-phenyl-1-tosylpiperazine","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","CV2229","Yue Meng; Weixiao Hu; Ke Wu","4-Methyl-2-phenyl-1-tosylpiperazine","Acta Crystallographica Section E","2007","63","5","o2630","o2630","10.1107/S160053680701906X","","","0.71073","MoKα","","0.037","0.0316","","","0.0799","0.0834","","","","","","1.04","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213272","6.2637","0.0005","13.8902","0.0011","14.3678","0.0015","90","","90","","90","","1250.06","0.19","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-[(3-Bromophenylimino)methyl]-6-methylphenol","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C56 H48 Br4 N4 O4 -","4","1","DN2147","Akkaya, Abdullah; Erşahi̇n, Ferda; Şenel, İsmet; Aǧar, Erbi̇l; Büyükgüngör, Orhan","(<i>E</i>)-2-[(3-Bromophenylimino)methyl]-6-methylphenol","Acta Crystallographica Section E","2007","63","5","o2383","o2385","10.1107/S1600536807014602","","","0.71073","MoKα","","0.0535","0.0368","","","0.0752","0.0812","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213281","10.15","0.002","10.216","0.002","10.817","0.002","90","","90","","90","","1121.6","0.4","304","2","304","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-(2-Methylphenyl)-2,2,2-Trichloroacetamide","2,2,2-Trichloro-N-(2-methylphenyl)acetamide","","- C9 H8 Cl3 N O -","- C9 H8 Cl3 N O -","- C36 H32 Cl12 N4 O4 -","4","1","DN2159","B. Thimme Gowda; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess","2,2,2-Trichloro-<i>N</i>-(2-methylphenyl)acetamide","Acta Crystallographica Section E","2007","63","5","o2571","o2572","10.1107/S1600536807018879","","","0.71073","MoKα","","0.0672","0.0443","","","0.1113","0.1305","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213286","9.9639","0.0014","14.939","0.002","17.998","0.003","90","","90","","90","","2679","0.7","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(Boc-L-alanine)allylamine","tert-butyl N-[1-(allylaminocarbonyl)ethyl]carbamate","","- C11 H20 N2 O3 -","- C11 H20 N2 O3 -","- C88 H160 N16 O24 -","8","2","EZ2064","Min Hong; Liangfei Tian; Yizhi Li; Jin Zhu","<i>N</i>-(Boc-<small>L</small>-alanine)allylamine","Acta Crystallographica Section E","2007","63","5","o2186","o2187","10.1107/S1600536807014250","","","0.71073","MoKα","","0.092","0.064","","","0.136","0.143","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213294","7.2279","0.0007","10.2493","0.001","19.7706","0.0019","90","","90","","90","","1464.6","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R*,2S*,3R*,4S*)-N-(1-Naphthyl)-5-norbornene-2,3-dicarboximide","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","FB2044","De-Mei Tian; Chuan-Xi Xiong; Li-Jie Dong","(1<i>R</i>*,2<i>S</i>*,3<i>R</i>*,4<i>S</i>*)-<i>N</i>-(1-Naphthyl)-5-norbornene-2,3-dicarboximide","Acta Crystallographica Section E","2007","63","5","o2393","o2394","10.1107/S1600536807015620","","","0.71073","MoKα","","0.0555","0.0445","","","0.0953","0.1016","","","","","","1.096","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213306","7.7521","0.0003","11.6202","0.0004","19.0242","0.0011","90","","90","","90","","1713.72","0.13","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Deoxy-1,2-<i>O</i>-isopropylidene-3-C-methyl-5-<i>O</i>-(<i>p</i>-\ tolylsulfonyl)-D-ribofuranose","","- C16 H22 O6 S -","- C16 H22 O6 S -","- C64 H88 O24 S4 -","4","1","FJ2012","Hector Novoa de Armas; Bogdan Doboszewski; Piet Herdewijn; Norbert Blaton","3-Deoxy-1,2-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-5-<i>O</i>-(<i>p</i>-tolylsulfonyl)-<small>D</small>-ribofuranose","Acta Crystallographica Section E","2007","63","5","o2678","o2680","10.1107/S1600536807018624","","","1.54178","CuKα","","0.0373","0.0363","","","0.1034","0.105","","","","","","1.113","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2213311","7.6672","0.0015","15.324","0.003","29.26","0.006","90","","90","","90","","3437.8","1.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","podocarpaside E","3β,15α,25-Trihydroxy-6α,19α-epidioxy- 16,23-dione-9,10-seco-9,19-cyclolanost-5(10),9(11)-diene 3-O-α-<i>L</i>-arabinopyranoside","","- C35 H54 O12 -","- C35 H54 O12 -","- C140 H216 O48 -","4","1","FL2114","Ali, Zulfiqar; Khan, Ikhlas A.; Fronczek, Frank R.","Revision of the structure of podocarpaside <i>E</i>, from <i>Actaea podocarpa</i>","Acta Crystallographica Section E","2007","63","5","o2101","o2103","10.1107/S1600536807014018","","","0.71073","MoKα","","0.073","0.044","","","0.073","0.081","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213335","8.947","0.002","10.373","0.003","22.477","0.006","90","","90","","90","","2086","0.9","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3,4,6-Tetra-O-acetyl-2-O-methylsulfonyl-α-D-mannopyranoside","","- C15 H22 O12 S -","- C15 H22 O12 S -","- C60 H88 O48 S4 -","4","1","HB2345","Liu, Chun-Yan; An, Qi; Li, Hui","(1<i>S</i>,3<i>R</i>,4<i>R</i>)-1,3,4,6-Tetra-<i>O</i>-acetyl-2-<i>O</i>-methylsulfonyl-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section E","2007","63","5","o2293","o2294","10.1107/S1600536807015619","","","0.71073","MoKα","","0.0706","0.0382","","","0.0792","0.0907","","","","","","0.991","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213354","7.3051","0.0016","11.85","0.002","18.165","0.003","90","","90","","90","","1572.5","0.5","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-phenylpyridinium hydrogentartrate dihydrate","4-Phenylpyridinium 3-carboxy-2,3-dihydroxypropanoate dihydrate","","- C15 H19 N O8 -","- C15 H19 N O8 -","- C60 H76 N4 O32 -","4","1","HB2365","Tsonko Kolev; Boris Shivachev; Rosica Petrova","4-Phenylpyridinium 3-carboxy-2,3-dihydroxypropanoate dihydrate","Acta Crystallographica Section E","2007","63","5","o2511","o2511","10.1107/S1600536807017217","","","0.71073","MoKα","","0.0893","0.0454","","","0.1011","0.1192","","","","","","0.94","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213398","8.668","0.0017","9.64","0.0019","16.424","0.003","90","","90","","90","","1372.4","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Bis(2-hydroxy-5-methylphenyl)ethane","2,2'-ethylidenebis(4-methylphenol)","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","HK2220","Dong, Su-Lan; Wu, Wen-Yuan; Tian, Wen-Wen; Xu, Jia-Ying; Wang, Jin-Tang","2,2'-Ethylidenebis(4-methylphenol)","Acta Crystallographica Section E","2007","63","5","o2357","o2358","10.1107/S1600536807015607","","","0.71073","MoKα","","0.0674","0.0467","","","0.1155","0.1257","","","","","","1.081","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213431","7.0211","0.0005","11.5366","0.0008","12.1874","0.0008","90","","90","","90","","987.17","0.12","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,5-diiodonaphthalene","1,5-Diiodonaphthalene","","- C10 H6 I2 -","- C10 H6 I2 -","- C40 H24 I8 -","4","1","KP2102","Novak, Igor","1,5-Diiodonaphthalene","Acta Crystallographica Section E","2007","63","5","o2726","o2726","10.1107/S1600536807020508","","","0.71073","MoKα","","0.0346","0.0326","","","0.0758","0.0768","","","","","","1.094","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213435","4.888","0.0008","12.495","0.002","20.889","0.004","90","","90","","90","","1275.8","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-N'-(5-bromo-2-hydroxybenzylidene)furan-2-carbohydrazide monohydrate","","- C12 H11 Br N2 O4 -","- C12 H11 Br N2 O4 -","- C48 H44 Br4 N8 O16 -","4","1","LH2320","Tai, Xi-Shi; Yin, Jie; Hao, Ming-Yang; Liang, Zu-Pei","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)furan-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2007","63","5","o2144","o2145","10.1107/S1600536807014687","","","0.71073","MoKα","","0.0389","0.0293","","","0.0654","0.0695","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213448","6.2405","0.0002","10.8088","0.0003","14.9369","0.0006","90","","90","","90","","1007.53","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-Deoxy-3,4-<i>O</i>-isopropylidene-4-<i>C</i>-hydroxymethyl-β-L-ribulofuranose","(2R,3S,4S)-4-(hydroxymethyl)-3,4-<i>O</i>-isopropylidene-2- methyltetrahydrofuran-2,3,4-triol","","- C9 H16 O5 -","- C9 H16 O5 -","- C36 H64 O20 -","4","1","LH2347","Best, Daniel; Jenkinson, Sarah F.; Kathrine V. Booth; Fleet, George W. J.; David J. Watkin","1-Deoxy-4-<i>C</i>-hydroxymethyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-ribulofuranose [(2<i>R</i>,3<i>S</i>,4<i>S</i>)-4-(hydroxymethyl)-3,4-<i>O</i>-isopropylidene-2-methyltetrahydrofuran-2,3,4-triol]","Acta Crystallographica Section E","2007","63","5","o2165","o2167","10.1107/S1600536807014134","","","0.71073","MoKα","","0.0448","0.0411","","0.1057","0.1031","0.1057","","","","","","0.8429","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213449","9.7507","0.0002","10.4263","0.0002","26.409","0.0005","90","","90","","90","","2684.84","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[(2<i>S</i>,4a<i>R</i>,7<i>R</i>,7a<i>R</i>)-7-azido-7-methyl-2- phenyldihydro-4<i>H</i>-furo[3,2-<i>d</i>][1,3]dioxin-6(4a<i>H</i>)-one]","2-Azido-(<i>R</i>)-3,5-<i>O</i>-benzylidene-2-deoxy-2-<i>C</i>-methyl-D-xylono- 1,4-lactone","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C104 H104 N24 O32 -","8","2","LH2348","Hotchkiss, David J.; Jenkinson, Sarah F.; Booth, Kathrine V.; Fleet, George J. W.; Watkin, David J.","2-Azido-(<i>R</i>)-3,5-<i>O</i>-benzylidene-2-deoxy-2-<i>C</i>-methyl-D-xylono-1,4-lactone [(2<i>S</i>,4a<i>R</i>,7<i>R</i>,7a<i>R</i>)-7-azido-7-methyl-2-phenyldihydro-4<i>H</i>-furo[3,2-<i>d</i>][1,3]dioxin-6(4a<i>H</i>)-one]","Acta Crystallographica Section E","2007","63","5","o2168","o2170","10.1107/S1600536807014560","","","0.71073","MoKα","","0.0654","0.0442","","0.1193","0.0991","0.1193","","","","","","0.8647","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213454","7.1286","0.0002","9.736","0.0003","17.1314","0.0006","90","","90","","90","","1188.99","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,5-Di-<i>C</i>-methyl-5,6-<i>O</i>-isopropylidene-L-mannono-1,4-lactone","","- C11 H18 O6 -","- C11 H18 O6 -","- C44 H72 O24 -","4","1","LH2353","Booth, Kathrine V.; Jenkinson, Sarah F.; Fleet, George J. W.; Watkin, David J.","3,5-Di-<i>C</i>-methyl-5,6-<i>O</i>-isopropylidene-<small>L</small>-mannono-1,4-lactone","Acta Crystallographica Section E","2007","63","5","o2427","o2429","10.1107/S1600536807018326","","","0.71073","MoKα","","0.0435","0.0336","","0.0753","0.0715","0.0753","","","","","","0.9269","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213457","9.4191","0.0002","11.7706","0.0002","12.2382","0.0002","90","","90","","90","","1356.83","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(-)metasantonic acid","(-)-(1R,3aS,4R,5S,7aS,9R)-octahydro-α,3a, 5-trimethyl-6,8-dioxo-1,4-methano-1H-indene-1-acetic acid","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","LH2356","Zinczuk, Juan; Ruveda, Edmundo A.; Lalancette, Roger A.; Thompson, Hugh W.","(‒)-Metasantonic acid: alteration of the hydrogen-bonding mode in a diastereomer of santonic acid","Acta Crystallographica Section E","2007","63","5","o2370","o2372","10.1107/S1600536807015309","","","1.54178","CuKα","","0.027","0.027","","","0.07","0.07","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213507","4.6461","0.0002","14.2262","0.0006","23.9227","0.0011","90","","90","","90","","1581.2","0.12","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3Z,4Z)-3,4-Bis(1,3-benzodioxol-5-ylmethylene)tetrahydrofuran-2,5-dione","","- C20 H12 O7 -","- C20 H12 O7 -","- C80 H48 O28 -","4","1","PR2004","Dong, Wen-Liang; Yao, Wei-Jian; Wei, Fang; Zhao, Bao-Xiang","(3<i>Z</i>,4<i>Z</i>)-3,4-Bis(1,3-benzodioxol-5-ylmethylene)tetrahydrofuran-2,5-dione","Acta Crystallographica Section E","2007","63","5","o2776","o2777","10.1107/S1600536807020223","","","0.71073","MoKα","","0.1262","0.0575","","","0.1266","0.1703","","","","","","0.994","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213522","9.5219","0.0009","9.9083","0.0009","14.1931","0.0013","90","","90","","90","","1339.1","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[(N,N-diethylethane-1,2-diamine)thiocyanatocopper(II)]- μ-thiocyanato]","","- C8 H16 Cu N4 S2 -","- C8 H16 Cu N4 S2 -","- C32 H64 Cu4 N16 S8 -","4","1","RZ2124","Li-Hua Wang; Li-Zhong Li","<i>catena</i>-Poly[[(<i>N</i>,<i>N</i>-diethylethane-1,2-diamine)thiocyanatocopper(II)]-μ-thiocyanato]","Acta Crystallographica Section E","2007","63","5","m1214","m1216","10.1107/S1600536807013608","","","0.71073","MoKα","","0.0296","0.0253","","","0.0549","0.0566","","","","","","1.016","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213524","6.7144","0.0004","12.6734","0.0007","16.9009","0.001","90","","90","","90","","1438.17","0.14","100","0.1","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-Phenyl-aceanthrylene-2,6-dione","","- C22 H12 O2 -","- C22 H12 O2 -","- C88 H48 O8 -","4","1","RZ2126","Zhe Li; Hoong-Kun Fun; Suchada Chantrapromma; Jian-Hua Xu","1-Phenylaceanthrylene-2,6-dione","Acta Crystallographica Section E","2007","63","5","o2499","o2500","10.1107/S160053680701700X","","","0.71073","MoKα","","0.0868","0.0695","","","0.1577","0.1683","","","","","","1.086","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213544","11.816","0.0002","12.5893","0.0003","18.3033","0.0004","90","","90","","90","","2722.71","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","7-Isopropyl-5-methyl-1,3,5-triazepane-2,6-dione deuterated chloroform 0.94-solvate","","- C8.9385 H15 Cl2.8155 D0.9385 N3 O2 -","- C8.9385 H15 Cl2.8155 D0.9385 N3 O2 -","- C71.508 H120 Cl22.524 D7.508 N24 O16 -","8","2","SI2008","Aubert, Emmanuel; Lena, Gersande; Gellenoncourt, Martine; Durain, Eric; Guichard, Gilles; Didierjean, Claude","7-Isopropyl-5-methyl-1,3,5-triazepan-2,6-dione deuterated chloroform 0.94-solvate","Acta Crystallographica Section E","2007","63","5","o2306","o2308","10.1107/S1600536807014912","","","0.71073","MoKα","","0.0301","0.0281","","","0.0719","0.0727","","","","","","1.039","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213555","7.0167","0.0001","12.1953","0.0002","16.1081","0.0003","90","","90","","90","","1378.38","0.04","100","0.1","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2E,4E)-1-(3-nitrophenyl)-5-phenylpenta-2,4-dien-1-one","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","SJ2268","P. S. Patil; Jeannie Bee-Jan Teh; Hoong-Kun Fun; Ibrahim Abdul Razak; S. M. Dharmaprakash","(2<i>E</i>,4<i>E</i>)-1-(3-Nitrophenyl)-5-phenylpenta-2,4-dien-1-one","Acta Crystallographica Section E","2007","63","5","o2122","o2123","10.1107/S1600536807014663","","","0.71073","MoKα","","0.0497","0.0417","","","0.1101","0.1154","","","","","","1.071","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213566","6.9797","0.0011","9.0174","0.0014","22.84","0.004","90","","90","","90","","1437.5","0.4","299","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-3,6-dimethyl-2-(3-methylbut-2-enylidene)-3,3a,7,7a- tetrahydrobenzofuran-4(2H)-one","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","SJ2284","Jun-Zhi Wang; Kun Zou; Fang Cheng; Fei-Jun Dan","3-Hydroxy-3,6-dimethyl-2-(3-methylbut-2-enylidene)-3,3a,7,7a-tetrahydrobenzofuran-4(2<i>H</i>)-one","Acta Crystallographica Section E","2007","63","5","o2706","o2706","10.1107/S1600536807019204","","","0.71073","MoKα","","0.0739","0.0521","","","0.1099","0.1173","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213568","7.5812","0.0004","11.6107","0.0007","37.659","0.002","90","","90","","90","","3314.9","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(4-methylphenylsulfonamido)-3-phenylpropanoate","","- C17 H19 N O4 S -","- C17 H19 N O4 S -","- C136 H152 N8 O32 S8 -","8","2","SJ2288","Ping Yin; Mao-Lin Hu; Jing Xiong; Xiao-Wei Yan","Methyl 2-(4-methylphenylsulfonamido)-3-phenylpropanoate","Acta Crystallographica Section E","2007","63","5","o2707","o2707","10.1107/S1600536807018600","","","0.71073","MoKα","","0.0824","0.0775","","","0.1656","0.1717","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213573","8.539","0.0004","10.0913","0.0005","30.3769","0.0014","90","","90","","90","","2617.6","0.2","100","0.1","297","3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7-Hydroxy-3,6,9-trimethyl-2,3,5,6-tetrahydronaphtho[1,8-b,c]pyran-4,8-dione","","- C15 H16 O4 -","- C15 H16 O4 -","- C120 H128 O32 -","8","2","SJ2300","Suchada Chantrapromma; Sompong Boonsri; Hoong-Kun Fun; Chatchanok Karalai","7-Hydroxy-3,6,9-trimethyl-2,3,5,6-tetrahydronaphtho[1,8-<i>b</i>,<i>c</i>]pyran-4,8-dione","Acta Crystallographica Section E","2007","63","5","o2749","o2750","10.1107/S1600536807020193","","","0.71073","MoKα","","0.0581","0.0452","","","0.1059","0.1134","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213577","7.1102","0.0013","11.054","0.002","27.294","0.005","90","","90","","90","","2145.2","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cyclobuxophyllinine M","17-ethylidene-4,4,13,14-tetramethyl-3- methylaminododecahydrocyclopropa[9,10]cyclopenta[<i>a</i>]phenanthren-16-one","","- C25 H39 N O -","- C25 H39 N O -","- C100 H156 N4 O4 -","4","1","SK3099","Hai-Feng Liu; Xiao-Qing Wu; Yan-Bing Duan; Min Ji","Cyclobuxophyllinine M, an alkaloid from <i>Buxus microphylla</i>","Acta Crystallographica Section E","2007","63","5","o2194","o2195","10.1107/S160053680701495X","","","0.7107","MoKα","","0.064","0.0581","","","0.1156","0.1187","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213582","7.8751","0.0005","9.1651","0.0003","14.1891","0.0006","90","","90","","90","","1024.11","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","E-7-(2-furyl)heptan-6-ene-2,5-dione","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","SU2006","Laura Torre-Fernández; Santiago García-Granda; Hugo Fanlo","(<i>E</i>)-7-(2-Furyl)-6-heptene-2,5-dione","Acta Crystallographica Section E","2007","63","5","o2113","o2114","10.1107/S1600536807013876","","","1.54184","CuKα","","0.0468","0.0358","","","0.0967","0.1109","","","","","","1.103","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213598","5.2456","0.0004","9.0361","0.0007","9.9312","0.0008","90","","90","","90","","470.74","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","yttrium orthotellurate","Diyttrium(III) hexaoxotellurate(VI)","","- O6 Te Y2 -","- O6 Te Y2 -","- O24 Te4 Y8 -","4","1","WM2106","Höss, Patrick; Schleid, Thomas","Y~2~TeO~6~ with the La~2~TeO~6~-type structure","Acta Crystallographica Section E","2007","63","5","i133","i135","10.1107/S1600536807018922","","","0.71069","MoKα","","0.0197","0.0194","","","0.0451","0.0453","","","","","","1.048","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213603","9.5277","0.0005","9.8517","0.0005","23.5217","0.0014","90","","90","","90","","2207.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Benzyl 4,6-diacetyl-2-<i>O</i>-benzoyl-β-D-glucopyranoside","","- C24 H26 O9 -","- C24 H26 O9 -","- C96 H104 O36 -","4","1","WN2133","Gervaise, Cédric; Daniellou, Richard; Roisnel, Thierry; Nugier-Chauvin, Caroline; Ferrières, Vincent","Benzyl 4,6-di-<i>O</i>-acetyl-2-<i>O</i>-benzoyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2007","63","5","o2286","o2288","10.1107/S1600536807015255","","","0.71073","MoKα","","0.0378","0.037","","","0.0894","0.09","","","","","","1.097","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213606","6.9535","0.0009","12.9078","0.0017","19.8","0.003","90","","90","","90","","1777.1","0.4","273","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,5-Dimethyl-4-[2-(methylsulfanyl)benzylideneamino]-2-phenyl-1H- pyrazol-3(2H)-one","","- C19 H19 N3 O S -","- C19 H19 N3 O S -","- C76 H76 N12 O4 S4 -","4","1","WW2056","Yan, Guo-Bing; Zhang, Chu-Niu; Yang, Ming-Hua","1,5-Dimethyl-4-[2-(methylsulfanyl)benzylideneamino]-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2007","63","5","o2663","o2664","10.1107/S1600536807007453","","","0.71073","MoKα","","0.0728","0.0404","","","0.106","0.1112","","","","","","0.908","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213613","8.2974","0.0007","13.1968","0.0011","23.3855","0.0015","90","","90","","90","","2560.7","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9α,11-Epoxy-7α-(methoxycarbonyl)-3-oxo-17α-pregn-4-ene-21,17-carbolactone","","- C28 H38 O7 -","- C28 H30 O7 -","- C112 H120 O28 -","4","1","XU2229","Qian Yang; Wei-Dong Ye; Jian-Yong Yuan; Jing-Jing Nie","Eplerenone tetrahydrofuran solvate","Acta Crystallographica Section E","2007","63","5","o2068","o2070","10.1107/S1600536807014031","","","0.71073","MoKα","","0.108","0.07","","","0.187","0.229","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213617","10.073","0.005","15.594","0.008","17.669","0.009","90","","90","","90","","2775","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[3-(1H-Imidazol-1-yl)propyl]-3-phenyl-1H-1,2,4-triazol-5(4H)-one","","- C14 H15 N5 O -","- C14 H15 N5 O -","- C112 H120 N40 O8 -","8","2","XU2235","Kalkan, Hüseyin; Ustabaş, Reşat; Sancak, Kemal; Ünver, Yasemin; Vázquez-López, Ezequiel M.","4-[3-(1<i>H</i>-Imidazol-1-yl)propyl]-3-phenyl-1<i>H</i>-1,2,4-triazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2007","63","5","o2449","o2451","10.1107/S1600536807017321","","","0.71073","MoKα","","0.071","0.047","","","0.096","0.105","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213637","6.188","0.004","10.25","0.007","21.268","0.014","90","","90","","90","","1349","1.5","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1-(3-Bromophenyl)-3-pivaloylthiourea","1-(3-Bromophenyl)-3-pivaloylthiourea","","- C12 H15 Br N2 O S -","- C12 H15 Br N2 O S -","- C48 H60 Br4 N8 O4 S4 -","4","1","ZL2018","Sultana, Sarwat; Khawar Rauf, M.; Ebihara, Masahiro; Badshah, Amin","1-(3-Bromophenyl)-3-pivaloylthiourea","Acta Crystallographica Section E","2007","63","5","o2602","o2602","10.1107/S1600536807019071","","","0.7107","MoKα","","0.0445","0.0415","","","0.0806","0.0818","","","","","","1.208","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213655","5.6101","0.0019","9.278","0.003","21.708","0.007","90","","90","","90","","1129.9","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methoxy-6-(pyridin-3-yliminomethyl)phenol","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","AT2294","Jing, Zuo-Liang; Li,Rui-Ning; Yang, Nan","2-Methoxy-6-(3-pyridyliminomethyl)phenol","Acta Crystallographica Section E","2007","63","6","o3001","o3001","10.1107/S1600536807023823","","","0.71073","MoKα","","0.0411","0.0322","","","0.0773","0.0842","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213678","6.5958","0.0006","7.8459","0.0008","21.202","0.002","90","","90","","90","","1097.2","0.18","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-chloro-3-hydroxy-3-(2-oxopropyl)indolin-2-one","","- C11 H10 Cl N O3 -","- C11 H10 Cl N O3 -","- C44 H40 Cl4 N4 O12 -","4","1","BQ2011","Xing, Xiao-Ning; Li, Liang; Zhu, Xiao-Yu; Chen, Jia-Rong","6-Chloro-3-hydroxy-3-(2-oxopropyl)indolin-2-one","Acta Crystallographica Section E","2007","63","6","o2969","o2970","10.1107/S1600536807020739","","","0.71073","MoKα","","0.0401","0.0384","","","0.1008","0.1022","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213691","6.7041","0.0004","10.4763","0.0008","30.037","0.002","90","","90","","90","","2109.6","0.2","303","2","303","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Sodium 4,N-dichlorobenzenesulfonamidate sesquihydrate","","- C6 H7 Cl2 N Na O3.5 S -","- C6 H7 Cl2 N Na O3.5 S -","- C48 H56 Cl16 N8 Na8 O28 S8 -","8","2","BT2356","B. Thimme Gowda; K. Jyothi; Sabine Foro; Jozef Kožíšek; Hartmut Fuess","Sodium 4,<i>N</i>-dichlorobenzenesulfonamidate sesquihydrate","Acta Crystallographica Section E","2007","63","6","m1644","m1645","10.1107/S1600536807023033","","","0.71073","MoKα","","0.1106","0.0675","","","0.1247","0.1398","","","","","","1.099","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2213705","6.751","0.0007","10.495","0.001","30.286","0.003","90","","90","","90","","2145.8","0.4","300","2","300","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Sodium N-Bromo-4-Chlorobenzenesulfonamide sesquihydrate","","- C6 H7 Br Cl N Na O3.5 S -","- C6 H7 Br Cl N Na O3.5 S -","- C48 H56 Br8 Cl8 N8 Na8 O28 S8 -","8","2","BT2373","B. Thimme Gowda; Jozef Kožíšek; Miroslav Tokarčík; Hartmut Fuess","Sodium <i>N</i>-bromo-4-chlorobenzenesulfonamidate sesquihydrate","Acta Crystallographica Section E","2007","63","6","m1647","m1648","10.1107/S1600536807024531","","","0.71073","MoKα","","0.0494","0.0447","","","0.1001","0.1027","","","","","","1.056","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2213740","14.252","0.003","17.312","0.003","8.82","0.004","90","","90","","90","","2176.2","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6α-cinnamoyloxyeudesman15 oic acid","(1R,4aS,7R,8S,E)-8-cinnamoxyloxy-7-isopropyl-4a-methyldecahydronaphthalene- 1-carboxylic acid","","- C24 H32 O4 -","- C24 H32 O4 -","- C96 H128 O16 -","4","1","CV2242","Murillo, Renato; Briceño, Alexander; Mora, Asiloé J.; Delgado, Gerzon E.","6α-Cinnamoyloxyeudesman-15-oic acid","Acta Crystallographica Section E","2007","63","6","o2951","o2951","10.1107/S160053680702301X","","","0.71069","MoKα","","0.0977","0.045","","","0.0799","0.098","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213759","6.7897","0.0001","12.037","0.0002","37.8246","0.0006","90","","90","","90","","3091.31","0.08","173","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","β-Amyrin benzoate","","- C37 H54 O2 -","- C37 H54 O2 -","- C148 H216 O8 -","4","1","EZ2076","Perold, Guido W.; Black, Robert S.; Lemmerer, Andreas; Michael, Joseph P.; Otterlo, Willem A. L. van","β-Amyrin benzoate","Acta Crystallographica Section E","2007","63","6","o3032","o3033","10.1107/S1600536807025123","","","0.71073","MoKα","","0.041","0.039","","","0.099","0.101","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213765","7.5554","0.0003","13.3987","0.0006","16.7825","0.0006","90","","90","","90","","1698.94","0.12","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aS,6cS)-8-Hydroxy-9-isopropyl-4,4,6c-trimethyl-1,2,3,4,4a,5,6,6c- octahydrophenanthren-3-one","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","FJ2021","Zeroual, Abdellah; Mazoir, Noureddine; Maya, Celia M.; Berraho, Moha; Auhmani, Aziz; Benharref, Ahmed","(4a<i>S</i>,6c<i>S</i>)-8-Hydroxy-9-isopropyl-4,4,6c-trimethyl-1,2,3,4,4a,5,6,6c-octahydrophenanthren-3-one","Acta Crystallographica Section E","2007","63","6","o2915","o2915","10.1107/S1600536807022258","","","0.71073","MoKα","","0.0422","0.0375","","","0.1005","0.1054","","","","","","1.069","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213772","10.364","0.001","16.157","0.001","23.206","0.001","90","","90","","90","","3885.9","0.5","119","2","119","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dexamethasone","","- C22 H29 F O5 -","- C22 H29 F O5 -","- C176 H232 F8 O40 -","8","2","FL2123","John W. Raynor; Wladek Minor; Maksymilian Chruszcz","Dexamethasone at 119 K","Acta Crystallographica Section E","2007","63","6","o2791","o2793","10.1107/S1600536807020806","","","0.71074","MoKα","","0.0471","0.0405","","","0.1112","0.1149","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213813","6.2251","0.0009","7.7283","0.0011","25.061","0.003","90","","90","","90","","1205.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Piperidin-4-chloro-phenyl-methanethione","Piperidin-4-chloro-phenyl-methanethione","","- C12 H14 Cl N S -","- C12 H14 Cl N S -","- C48 H56 Cl4 N4 S4 -","4","1","HG2198","V. Muthuraj; A. Ramu; A. Thamaraichelvan; S. Athimoolam; S. Natarajan","1-(4-Chlorothiobenzoyl)piperidine","Acta Crystallographica Section E","2007","63","6","o2873","o2874","10.1107/S1600536807015978","","","0.71069","MoKα","","0.0499","0.0298","","","0.0718","0.0842","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213821","9.422","0.0019","10.587","0.002","14.328","0.003","90","","90","","90","","1429.2","0.5","294","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acryloyltryptophane","3-(1H-Indol-3-yl)-2-(2-methylacryloyl)propanoic acid","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","HK2221","Lv, Zhi-Fang; Gao, Xiao-Feng; Wang, Jin-Tang","3-(1<i>H</i>-Indol-3-yl)-2-(2-methylacryloyl)propanoic acid","Acta Crystallographica Section E","2007","63","6","o2846","o2847","10.1107/S1600536807015735","","","0.71073","MoKα","","0.0899","0.0692","","","0.1837","0.2003","","","","","","1.058","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213848","5.704","0.001","6.819","0.001","24.823","0.004","90","","90","","90","","965.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[chlorido[(1S,2S)-cyclohexane-1,2-diamine-κ^2^N,N']copper(II)]- μ~3~-chlorido]","","- C6 H14 Cl2 Cu N2 -","- C6 H14 Cl2 Cu N2 -","- C24 H56 Cl8 Cu4 N8 -","4","1","IM2011","Fu, Dai-Wei; Zhao, Hong","<i>catena</i>-Poly[[chlorido[(1<i>S</i>,2<i>S</i>)-cyclohexane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>']copper(II)]-μ~3~-chlorido]","Acta Crystallographica Section E","2007","63","6","m1630","m1630","10.1107/S1600536807021654","","","0.71073","MoKα","","0.0329","0.0311","","","0.0805","0.0816","","","","","","1.025","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213857","7.6226","0.0011","11.0708","0.0015","17.748","0.002","90","","90","","90","","1497.7","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[4-(Benzyloxy)phenyl]-1,1,1-trifluoro-4-hydroxybut-3-en-2-one","","- C17 H13 F3 O3 -","- C17 H13 F3 O3 -","- C68 H52 F12 O12 -","4","1","IS2164","Dun-Jia Wang; Ling Fan; Jing Zheng","4-[4-(Benzyloxy)phenyl]-1,1,1-trifluoro-4-hydroxybut-3-en-2-one","Acta Crystallographica Section E","2007","63","6","o2979","o2979","10.1107/S1600536807024737","","","0.71073","MoKα","","0.1022","0.0572","","","0.1345","0.1523","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2213861","8.858","0.002","12.61","0.003","25.008","0.006","90","","90","","90","","2793.4","1.1","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis{2-[(2-aminophenyl)iminomethyl]-6-carboxyphenolato-κ^3^O,N,N'}zinc(II)","","- C28 H34 N4 O6 Zn -","- C28 H34 N4 O6 Zn -","- C112 H136 N16 O24 Zn4 -","4","1","KJ2054","Zhao-Wen Yu; Qing-Xia Cui; Wu Zhang; Yun-Ling Hao","Bis{2-[(2-aminophenyl)iminomethyl]-6-carboxyphenolato-κ^3^<i>O</i>,<i>N</i>,<i>N</i>'}zinc(II)","Acta Crystallographica Section E","2007","63","6","m1563","m1565","10.1107/S160053680702079X","","","0.71073","MoKα","","0.139","0.0553","","","0.1026","0.1295","","","","","","0.966","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213895","5.2259","0.0006","5.5567","0.0008","34.056","0.001","90","","90","","90","","988.94","0.18","301","2","301","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Methanesulfon-2,3-dimethylanilide","<i>N</i>-(2,3-dimethylphenyl)methanesulfonamide","","- C9 H13 N O2 S -","- C9 H13 N O2 S -","- C36 H52 N4 O8 S4 -","4","1","LW2017","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","<i>N</i>-(2,3-Dimethylphenyl)methanesulfonamide","Acta Crystallographica Section E","2007","63","6","o3014","o3014","10.1107/S1600536807025202","","","0.71073","MoKα","","0.0594","0.0542","","","0.1269","0.1299","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213898","10.0053","0.0001","13.1391","0.0002","25.9006","0.0005","90","","90","","90","","3404.91","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","","Bis(trimethyltin)glutarate","Poly[bis(trimethyltin)-μ-glutarato]","","- C11 H24 O4 Sn2 -","- C11 H24 O4 Sn2 -","- C88 H192 O32 Sn16 -","8","2","LX2005","Boye, Mouhamadou S.; Diassé-Sarr, Aminata; Molloy, Kieran C.; Gabriele Kociok-Köhn; Mahieu, Bernard","Poly[bis(trimethyltin)-μ-glutarato]","Acta Crystallographica Section E","2007","63","6","m1724","m1726","10.1107/S1600536807023926","","","0.71073","MoKα","","0.0397","0.0312","","","0.0586","0.0617","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2213922","5.231","0.001","9.401","0.0019","15.095","0.003","90","","90","","90","","742.3","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,4,6-Trihydroxyanisole","","- C7 H8 O4 -","- C7 H8 O4 -","- C28 H32 O16 -","4","1","OM2124","Xiao, Zhu-Ping; Zheng, Da-Gui; Xie, Guo-Hao; Ye, Hong-De","2,4,6-Trihydroxyanisole","Acta Crystallographica Section E","2007","63","6","o2941","o2941","10.1107/S1600536807022787","","","0.71073","MoKα","","0.0564","0.0469","","","0.1172","0.1249","","","","","","1.078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213932","7.3919","0.0007","7.4823","0.0007","20.4655","0.0017","90","","90","","90","","1131.91","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,8-Dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium chloride monohydrate","","- C10 H16 Cl N O3 -","- C10 H16 Cl N O3 -","- C40 H64 Cl4 N4 O12 -","4","1","PV2011","Yathirajan, H. S.; Mayekar, Anil N.; Sarojini, B. K.; Narayana, B.; Bolte, Michael","4,8-Dihydroxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium chloride monohydrate","Acta Crystallographica Section E","2007","63","6","o2885","o2885","10.1107/S1600536807022003","","","0.71073","MoKα","","0.0309","0.0296","","","0.0784","0.0793","","","","","","1.066","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213936","4.5354","0.0006","5.8868","0.0008","31.991","0.004","90","","90","","90","","854.13","0.19","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2-Phenyl)ethylammonium chloride","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C32 H48 Cl4 N4 -","4","1","RK2013","Arkenbout, Anne H.; Meetsma, Auke; Palstra, Thomas T. M.","(2-Phenylethyl)ammonium chloride","Acta Crystallographica Section E","2007","63","6","o2987","o2987","10.1107/S1600536807024245","","","0.71073","MoKα","","0.0284","0.027","","","0.0708","0.0714","","","","","","1.144","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213950","5.449","0.0005","6.4489","0.0005","22.2203","0.0014","90","","90","","90","","780.82","0.11","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,4S,5R)-3-Hydroxy-4-methyl-5-vinyltetrahydropyran-2-one","","- C8 H12 O3 -","- C8 H12 O3 -","- C32 H48 O12 -","4","1","RZ2139","Körner, Marleen; Schürmann, Markus; Preut, Hans; Hiersemann, M.","(3<i>S</i>,4S,5<i>R</i>)-3-Hydroxy-4-methyl-5-vinyltetrahydropyran-2-one","Acta Crystallographica Section E","2007","63","6","o3012","o3012","10.1107/S1600536807022854","","","0.71073","MoKα","","0.0546","0.0286","","","0.0545","0.0578","","","","","","0.899","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213957","10.8866","0.0006","11.5321","0.0006","17.6671","0.0009","90","","90","","90","","2218","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","13-Methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro- 1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl 4-nitrobenzoate","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C100 H116 N4 O20 -","4","1","SG2168","Yu-Yuan Ye","13-Methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl 4-nitrobenzoate","Acta Crystallographica Section E","2007","63","6","o3022","o3022","10.1107/S1600536807025020","","","0.71073","MoKα","","0.051","0.0374","","","0.0899","0.0992","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213962","14.8211","0.0007","16.8568","0.0008","17.315","0.0008","90","","90","","90","","4325.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[(1R,2R)-2-(1,8-Naphthalimido)cyclohexyl]-3-phenylthiourea","","- C25 H23 N3 O2 S -","- C25 H23 N3 O2 S -","- C200 H184 N24 O16 S8 -","8","2","SJ2253","Yang, Xue-Mei; Fu, En-Qin","1-[(1<i>R</i>,2<i>R</i>)-2-(1,8-Naphthalimido)cyclohexyl]-3-phenylthiourea","Acta Crystallographica Section E","2007","63","6","o2866","o2868","10.1107/S1600536807015565","","","0.71073","MoKα","","0.0746","0.044","","","0.0906","0.1018","","","","","","1.046","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2213980","5.994","0.0012","15.342","0.003","29.361","0.006","90","","90","","90","","2700","0.9","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzyl 2-deoxy-2-(3,5-ditert-butylsalicylamino)-α-D-glucopyranoside","","- C28 H41 N O6 -","- C28 H41 N O6 -","- C112 H164 N4 O24 -","4","1","WK2049","Burkhardt, Anja; Buchholz, Axel; Görls, Helmar; Plass, Winfried","Benzyl 2-deoxy-2-(3,5-di-<i>tert</i>-butylsalicylamino)-α-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2007","63","6","o2994","o2996","10.1107/S1600536807023574","","","0.71073","MoKα","","0.0947","0.0456","","","0.1072","0.154","","","","","","1.089","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2214048","7.273","0.001","9.146","0.001","22.975","0.003","90","","90","","90","","1528.3","0.3","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(4-Methoxybenzyl)quinoline-8-sulfonamide","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","BH2105","Andrighetti-Fröhner, Carla Regina; Nunes, Ricardo José; Silva, Luiz Everson da; Simões, Cláudia Maria Oliveira; Foro, Sabine","<i>N</i>-(4-Methoxybenzyl)quinoline-8-sulfonamide","Acta Crystallographica Section E","2007","63","7","o3059","o3059","10.1107/S1600536807025706","","","1.5418","CuKα","","0.0449","0.0442","","","0.1194","0.12","","","","","","1.105","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214061","8.0121","0.001","9.5327","0.001","15.023","0.002","90","","90","","90","","1147.4","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(pyrazine-2-carboxylato)cobalt(II)]-μ-pyrazine-2-carboxylato]","","- C10 H8 Co N4 O5 -","- C10 H8 Co N4 O5 -","- C40 H32 Co4 N16 O20 -","4","1","BI2194","Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling; Hao, Lu-Jiang","<i>catena</i>-Poly[[aqua(pyrazine-2-carboxylato)cobalt(II)]-μ-pyrazine-2-carboxylato]","Acta Crystallographica Section E","2007","63","7","m1882","m1882","10.1107/S1600536807027961","","","0.71073","MoKα","","0.0275","0.024","","","0.0528","0.0547","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214069","7.81","0.002","8.611","0.002","17.431","0.004","90","","90","","90","","1172.3","0.5","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,5-Diacetylheptane-2,6-dione","","- C11 H16 O4 -","- C11 H16 O4 -","- C44 H64 O16 -","4","1","BQ2022","Burton, Sylvester; Fronczek, Frank R.; Maverick, Andrew W.","3,5-Diacetylheptane-2,6-dione","Acta Crystallographica Section E","2007","63","7","o3108","o3108","10.1107/S1600536807026323","","","0.71073","MoKα","","0.048","0.041","","","0.107","0.113","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214096","3.7885","0.0012","13.939","0.004","15.191","0.005","90","","90","","90","","802.2","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(Pyrazin-2-yl)pyridin-2(1H)-one","","- C9 H7 N3 O -","- C9 H7 N3 O -","- C36 H28 N12 O4 -","4","1","BT2398","Zhang, Shi-Guo; Xu, Hai-Yan; Shi, Jing-Min","1-(Pyrazin-2-yl)pyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2007","63","7","o3294","o3294","10.1107/S1600536807029996","","","0.71073","MoKα","","0.0625","0.0464","","","0.1025","0.1085","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214106","5.1575","0.0011","17.43","0.002","35.147","0.004","90","","90","","90","","3159.5","0.8","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Diaquabis[4-methyl-2-(4-methylphenylsulfonamido)pentanoato-κO]calcium(II)","","- C26 H40 Ca N2 O10 S2 -","- C26 H40 Ca N2 O10 S2 -","- C104 H160 Ca4 N8 O40 S8 -","4","1","BV2062","Tai, Xi-Shi; Yin, Jie; Hao, Ming-Yang","Diaquabis[4-methyl-2-(4-methylphenylsulfonamido)pentanoato-κ<i>O</i>]calcium(II)","Acta Crystallographica Section E","2007","63","7","m1935","m1935","10.1107/S1600536807029327","","","0.71073","MoKα","","0.0658","0.051","","","0.1053","0.1117","","","","","","1.021","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214132","7.5382","0.0013","14.195","0.003","21.204","0.004","90","","90","","90","","2268.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(2-Chloroethoxy)ethyl]-2,3,4,6-tetra-O-acetyl-β-D-galactopyranoside","","- C18 H27 Cl O11 -","- C18 H27 Cl O11 -","- C72 H108 Cl4 O44 -","4","1","CV2250","Xiao-Ru Zhang; Hui-Qing Zhang; Xiao-Hui Yang; Sai Bi","2-[(2-Chloroethoxy)ethyl]-2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2007","63","7","o3174","o3174","10.1107/S1600536807028127","","","0.71073","MoKα","","0.0619","0.0479","","","0.1288","0.1404","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214158","10.159","0.001","10.248","0.001","11.071","0.001","90","","90","","90","","1152.6","0.19","302","2","302","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2-Chlorophenyl)-2,2,2-trimethylacetamide","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C44 H56 Cl4 N4 O4 -","4","1","DN2190","B. Thimme Gowda; Ingrid Svoboda; Hartmut Fuess","<i>N</i>-(2-Chlorophenyl)-2,2,2-trimethylacetamide","Acta Crystallographica Section E","2007","63","7","o3266","o3266","10.1107/S1600536807029005","","","0.71073","MoKα","","0.1099","0.0492","","","0.1126","0.1358","","","","","","1.051","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214179","7.0696","0.0019","12.473","0.003","13.555","0.004","90","","90","","90","","1195.3","0.6","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1S,3R)-3-monoamino-1-camphoric acid nitrate","(1<i>S</i>,3<i>R</i>)-1-Carboxy-2,2,3-trimethylcyclopentane-1-ammonium nitrate","","- C9 H18 N2 O5 -","- C9 H18 N2 O5 -","- C36 H72 N8 O20 -","4","1","EZ2077","Qian, Hui-Fen; Huang, Wei; Liu, Jian-Lan","(1<i>S</i>,3<i>R</i>)-1-Carboxy-2,2,3-trimethylcyclopentane-1-ammonium nitrate","Acta Crystallographica Section E","2007","63","7","o3070","o3072","10.1107/S1600536807025809","","","0.71073","MoKα","","0.083","0.059","","","0.119","0.13","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214181","6.1269","0.0002","10.2848","0.0004","21.136","0.0009","90","","90","","90","","1331.86","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1-Pivaloyl-3-(3-chlorophenyl)thiourea","1-(3-Chlorophenyl)-3-pivaloylthiourea","","- C12 H15 Cl N2 O S -","- C12 H15 Cl N2 O S -","- C48 H60 Cl4 N8 O4 S4 -","4","1","EZ2082","Shoukat, Noreen; Rauf, M. Khawar; Bolte, Michael; Badshah, Amin","1-(3-Chlorophenyl)-3-pivaloylthiourea","Acta Crystallographica Section E","2007","63","7","o3207","o3207","10.1107/S1600536807028280","","","0.71073","MoKα","","0.023","0.023","","","0.062","0.062","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214187","6.8771","0.0001","7.2198","0.0001","17.7271","0.0002","90","","90","","90","","880.17","0.02","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(8aS)-8,8a-Dihydrofuro[3,2-f]indolizine-6,9(4H,7H)-dione","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","FJ2027","Švorc, Ľubomír; Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan; Šafář, Peter","(8a<i>S</i>)-8,8a-Dihydrofuro[3,2-<i>f</i>]indolizine-6,9(4<i>H</i>,7<i>H</i>)-dione","Acta Crystallographica Section E","2007","63","7","o3180","o3181","10.1107/S1600536807028176","","","0.71073","MoKα","","0.0565","0.0419","","","0.1087","0.1197","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214198","5.6638","0.0002","15.1845","0.0005","15.5994","0.0004","90","","90","","90","","1341.58","0.07","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-salicylidene-3-(2-pyridyl)-propionic acid hydrazide","<i>N</i>'-(2-Hydroxybenzylidene)-3-(2-pyridyl)propionohydrazide","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","1","GK2074","Roth, Arne; Buchholz, Axel; Gärtner, Martin; Görls, Helmar; Plass, Winfried","3-(2-Pyridyl)-<i>N</i>'-salicylidenepropionohydrazide","Acta Crystallographica Section E","2007","63","7","o3073","o3073","10.1107/S1600536807025664","","","0.71073","MoKα","","0.0432","0.0349","","","0.0814","0.0866","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214202","10.951","0.002","11.885","0.002","12.916","0.002","90","","90","","90","","1681.1","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,5-Diaza-9,9'-spirobifluorene","","- C23 H14 N2 -","- C23 H14 N2 -","- C92 H56 N8 -","4","1","GK2087","Min Hong; Chao Teng; Jin Zhu","4,5-Diaza-9,9'-spirobifluorene","Acta Crystallographica Section E","2007","63","7","o3304","o3304","10.1107/S1600536807029820","","","0.71073","MoKα","","0.0706","0.0429","","","0.087","0.0941","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214229","7.7379","0.0005","9.9021","0.0005","15.002","0.001","90","","90","","90","","1149.48","0.12","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(pyrazine-2-carboxylato)copper(II)]-μ-pyrazine-2-carboxylato]","","- C10 H8 Cu N4 O5 -","- C10 H8 Cu N4 O5 -","- C40 H32 Cu4 N16 O20 -","4","1","HB2444","Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling; Hao, Lu-Jiang","<i>catena</i>-Poly[[aqua(pyrazine-2-carboxylato)copper(II)]-μ-pyrazine-2-carboxylato]","Acta Crystallographica Section E","2007","63","7","m2006","m2006","10.1107/S1600536807030528","","","0.71073","MoKα","","0.0451","0.0378","","","0.0922","0.0993","","","","","","1.006","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2214243","8.6208","0.0008","13.8333","0.0013","21.151","0.002","90","","90","","90","","2522.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{6,6'-diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato- 1κ^2^O^1^,O^1'^,O^6^,O^6'^:2κ^2^O^1^,N,N',O^1'^}trinitrato-1κ^O,O'- samarium(III)copper(II)","","- C20 H22 Cu N5 O13 Sm -","- C20 H22 Cu N5 O13 Sm -","- C80 H88 Cu4 N20 O52 Sm4 -","4","1","HG2240","Sui, Yan; He, De-Yong; Fang, Xiao-Niu; Chen, Li; Peng, Jia-Long","{6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}trinitratosamarium(III)copper(II)","Acta Crystallographica Section E","2007","63","7","m2013","m2014","10.1107/S1600536807030905","","","0.71073","MoKα","","0.0289","0.0223","","","0.0471","0.0482","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214247","8.5837","0.001","13.7547","0.0016","21.153","0.002","90","","90","","90","","2497.5","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{6,6'-diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato- 1κ^2^O^1^,O^1'^,O^6^,O^6'^:2κ^2^O^1^,N,N',O^1'^}trinitrato-1κ^2^O,O'- yttrium(III)nickel(II)","","- C20 H22 N5 Ni O13 Y -","- C20 H22 N5 Ni O13 Y -","- C80 H88 N20 Ni4 O52 Y4 -","4","1","HG2246","Sui, Yan; Huang, Qiang; Hu, Rong-Hua; Xie, Guo-Wei","{6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}trinitratoyttrium(III)nickel(II)","Acta Crystallographica Section E","2007","63","7","m2015","m2016","10.1107/S1600536807030875","","","0.71073","MoKα","","0.0402","0.0282","","","0.0584","0.0614","","","","","","0.975","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214259","7.096","0.0014","8.406","0.0017","20.068","0.004","90","","90","","90","","1197","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetrafluoro-N-phenylphthalimide","","- C14 H5 F4 N O2 -","- C14 H5 F4 N O2 -","- C56 H20 F16 N4 O8 -","4","1","HK2269","Fan Wen; Ren-Jie Ni; Cheng Yao","Tetrafluoro-<i>N</i>-phenylphthalimide","Acta Crystallographica Section E","2007","63","7","o3153","o3153","10.1107/S1600536807027286","","","0.71073","MoKα","","0.0475","0.0351","","","0.0834","0.0898","","","","","","1.031","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214304","7.946","0.002","13.067","0.003","16.796","0.003","90","","90","","90","","1743.9","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(S)-pantolactone-O,O'-diacetyl-(R,R)-hydrogentartrate O,O'-diacetyl-(R,R)-hydrogentartrate-(S)-3,3-dimethylbutyrolakton-2-yl O,O'-diacetyl-(R,R)-hydrogentartrate ester of (S)-pantolactone","(1R,2R)-1-carboxy-2-[(3S)-4,4-dimethyl-2-oxotetrahydrofuran-3- yloxycarbonyl]ethane-1,2-diyl diacetate","","- C14 H18 O10 -","- C14 H18 O10 -","- C56 H72 O40 -","4","1","LH2407","Zachara, Janusz; Madura, Izabela D.; Bernaś, Urszula; Synoradzki, Ludwik","The <i>O</i>,<i>O</i>'-diacetyl (<i>R</i>,<i>R</i>)-hydrogentartrate ester of (<i>S</i>)-pantolactone","Acta Crystallographica Section E","2007","63","7","o3209","o3209","10.1107/S1600536807027316","","","0.71073","MoKα","","0.0481","0.0348","","","0.0848","0.0898","","","","","","1.034","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214305","8.2882","0.0015","12.905","0.003","16.544","0.004","90","","90","","90","","1769.5","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(R)-pantolactone-O,O'-diacetyl-(R,R)-hydrogentartrate monohydrate O,O'-diacetyl-(R,R)-hydrogentartrate-(R)-3,3-dimethylbutyrolakton-2-yl monohydrate O,O'-diacetyl-(R,R)-hydrogentartrate ester of (R)-pantolactone monohydrate","(1R,2R)-1-carboxy-2-[(3R)-4,4-dimethyl-2-oxotetrahydrofuran-3- yloxycarbonyl]ethane-1,2-diyl diacetate monohydrate","","- C14 H20 O11 -","- C14 H20 O11 -","- C56 H80 O44 -","4","1","LH2408","Zachara, Janusz; Madura, Izabela D.; Bernaś, Urszula; Synoradzki, Ludwik","The <i>O</i>,<i>O</i>'-diacetyl (<i>R</i>,<i>R</i>)-hydrogentartrate ester of (<i>R</i>)-pantolactone monohydrate","Acta Crystallographica Section E","2007","63","7","o3210","o3210","10.1107/S1600536807027328","","","0.71073","MoKα","","0.0361","0.031","","","0.0818","0.0846","","","","","","1.061","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214319","6.9732","0.0006","12.3149","0.0011","13.6851","0.0013","90","","90","","90","","1175.2","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 3-nitro-4-propoxybenzoate","","- C11 H13 N O5 -","- C11 H13 N O5 -","- C44 H52 N4 O20 -","4","1","LH2422","Sheng-Yin Zhao; Shi-Wei Mou; Shu-Hui Zhao; Wei-Min Qin","Methyl 3-nitro-4-propoxybenzoate","Acta Crystallographica Section E","2007","63","7","o3269","o3269","10.1107/S1600536807028619","","","0.71073","MoKα","","0.0741","0.0519","","","0.1195","0.1354","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214331","7.2723","0.0007","8.98","0.0009","27.549","0.003","90","","90","","90","","1799.1","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Phenothiazine‒picric acid (1/1)","","- C18 H12 N4 O7 S -","- C18 H12 N4 O7 S -","- C72 H48 N16 O28 S4 -","4","1","LH2440","Harrison, William T. A.; Ashok, M. A.; Yathirajan, H. S.; Narayana Achar, B.","Phenothiazine‒picric acid (1/1)","Acta Crystallographica Section E","2007","63","7","o3322","o3322","10.1107/S1600536807030176","","","0.71073","MoKα","","0.1018","0.0466","","","0.0831","0.0965","","","","","","0.892","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214344","10.315","0.002","13.62","0.003","11.073","0.002","90","0.002","90","0.002","90","0.002","1555.6","0.5","103","","103","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","α-Artemether","","- C16 H26 O5 -","- C16 H26 O5 -","- C64 H104 O20 -","4","1","NC2038","Butcher, Ray J.; Jasinski, Jerry P.; Yathirajan, H. S.; Bindya, S; Narayana, B.","α-Artemether","Acta Crystallographica Section E","2007","63","7","o3291","o3292","10.1107/S1600536807029108","","","0.71073","MoKα","","0.0356","0.0331","","","0.0855","0.0873","","","","","","1.115","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2214350","7.9835","0.001","13.312","0.002","13.645","0.0018","90","","90","","90","","1450.1","0.3","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>mer</i>-Trichloridotris(dimethyl sulfide-<i>κS</i>)rhodium(III)","","- C6 H18 Cl3 Rh S3 -","- C6 H18 Cl3 Rh S3 -","- C24 H72 Cl12 Rh4 S12 -","4","1","NG2277","Abbasi, Alireza; Habibian, Maryam; Sandström, Magnus","<i>mer</i>-Trichloridotris(dimethyl sulfide-<i>{κ</i>S})rhodium(III)","Acta Crystallographica Section E","2007","63","7","m1904","m1904","10.1107/S1600536807027912","","","0.71073","MoKα","","0.0173","0.0165","","","0.0386","0.0389","","","","","","1.075","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214357","8.524","0.005","15.044","0.009","15.218","0.009","90","","90","","90","","1951","2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{2-(2-Pyridyl)-5-[(2-pyridylmethylidene)aminomethyl]-1,3- oxazoline-κ^4^N}bis(thiocyanato-κN)nickel(II)","","- C17 H16 N6 Ni O S2 -","- C17 H16 N6 Ni O S2 -","- C68 H64 N24 Ni4 O4 S8 -","4","1","OM2112","Hai-Ying Fu; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang","{2-(2-Pyridyl)-5-[(2-pyridylmethylidene)aminomethyl]-1,3-oxazoline-κ^4^<i>N</i>}bis(thiocyanato-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2007","63","7","m1793","m1795","10.1107/S1600536807022015","","","0.71073","MoKα","","0.0934","0.0558","","","0.1372","0.1637","","","","","","1.002","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214366","5.4675","0.001","16.616","0.004","17.31","0.003","90","","90","","90","","1572.6","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[<i>N</i>,<i>N</i>'-Bis(salicylidene)benzene-1,2-diaminato]iron(II)","{2,2'-[o-phenylenebis(nitrilomethylidyne)]diphenolato}iron(II)","","- C20 H14 Fe N2 O2 -","- C20 H14 Fe N2 O2 -","- C80 H56 Fe4 N8 O8 -","4","1","OM2132","Ye, Yong-Hao; Han, Yue; Chen, Ting-Ting; Liu, Chang-Hong","[<i>N</i>,<i>N</i>'-Bis(salicylidene)benzene-1,2-diaminato]iron(II)","Acta Crystallographica Section E","2007","63","7","m1963","m1963","10.1107/S1600536807029601","","","0.71073","MoKα","","0.076","0.0544","","","0.1464","0.1697","","","","","","0.689","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214410","9.94","0.0012","14.9395","0.0018","17.876","0.002","90","","90","","90","","2654.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzyl 2-{[2-(tert-butoxycarbonylamino)-4-methylpentanoyl]methylamino}- 4-methylpentanoate","","- C25 H40 N2 O5 -","- C25 H40 N2 O5 -","- C100 H160 N8 O20 -","4","1","WK2061","Xiao-Jian Liao; Wen-Jie Xu; Shi-Hai Xu; Fang-Fang Dong","Benzyl 2-{[2-(<i>tert</i>-butoxycarbonylamino)-4-methylpentanoyl]methylamino}-4-methylpentanoate","Acta Crystallographica Section E","2007","63","7","o3313","o3313","10.1107/S1600536807029418","","","0.71073","MoKα","","0.0504","0.0378","","","0.0896","0.0991","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214413","5.7941","0.0005","17.2455","0.0015","23.012","0.002","90","","90","","90","","2299.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-Ethylenebis[(2-methylphenyl)phenylphosphine oxide]","","- C28 H28 O2 P2 -","- C28 H28 O2 P2 -","- C112 H112 O8 P8 -","4","1","WK2065","King, Gary; Bergin, Enda; Müller-Bunz, Helge; Gilheany, Declan G.","(<i>R</i>,<i>R</i>)-Ethylenebis[(2-methylphenyl)phenylphosphine oxide] (`<i>o</i>-Tolyl DiPAMPO')","Acta Crystallographica Section E","2007","63","7","o3278","o3278","10.1107/S1600536807029479","","","0.71073","MoKα","","0.0583","0.0472","","","0.1062","0.1131","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214442","7.4286","0.0015","8.1298","0.0016","34.101","0.007","90","","90","","90","","2059.5","0.7","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 5-O-triphenylmethyl-α-D-arabinofuranoside","","- C25 H26 O5 -","- C25 H26 O5 -","- C100 H104 O20 -","4","1","XU2257","Dong Han; Lin-Na Wang; Wen-He Zhong; Xiang-Bao Meng; Zhong-Jun Li","Methyl 5-<i>O</i>-triphenylmethyl-α-<small>D</small>-arabinofuranoside","Acta Crystallographica Section E","2007","63","7","o3168","o3168","10.1107/S1600536807027110","","","0.71073","MoKα","","0.056","0.038","","","0.078","0.082","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214491","8.7266","0.0001","14.4778","0.0004","17.8606","0.0005","90","","90","","90","","2256.54","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(3-deoxy-1,2-<i>O</i>-isopropylidene-α-D-glucofuranos-3-yl) disulfide","","- C18 H30 O10 S2 -","- C18 H30 O10 S2 -","- C72 H120 O40 S8 -","4","1","AT2343","Luboradzki, Roman; Pakulski, Zbigniew","Bis(3-deoxy-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranos-3-yl) disulfide","Acta Crystallographica Section E","2007","63","8","o3573","o3573","10.1107/S1600536807035064","","","0.71073","MoKα","","0.0311","0.029","","","0.0638","0.066","","","","","","1.089","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214506","4.7829","0.0004","12.7379","0.0013","20.532","0.002","90","","90","","90","","1250.9","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-[2-(Hydroxymethyl)phenyliminomethyl]-6-methylphenol","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","BH2113","Gül, Zarife Sibel; Erşahin, Ferda; Aǧar, Erbil; Işık, Şamil","(<i>E</i>)-2-[2-(Hydroxymethyl)phenyliminomethyl]-6-methylphenol","Acta Crystallographica Section E","2007","63","8","o3547","o3547","10.1107/S1600536807032266","","","0.71073","MoKα","","0.0924","0.0409","","","0.0742","0.0847","","","","","","0.79","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214519","7.722","0.001","10.0002","0.0001","14.8836","0.0001","90","","90","","90","","1149.33","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(pyrazine-2-carboxylato-κ^2^N^1^,O)manganese(II)]- μ-pyrazine-2-carboxylato-κ^3^-κ^2^N^1^,O:N^4^]","","- C10 H8 Mn N4 O5 -","- C10 H8 Mn N4 O5 -","- C40 H32 Mn4 N16 O20 -","4","1","BI2213","Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling; Hao, Lu-Jiang","<i>catena</i>-Poly[[aqua(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)manganese(II)]-μ-pyrazine-2-carboxylato-κ^3^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^]","Acta Crystallographica Section E","2007","63","8","m2185","m2185","10.1107/S1600536807034496","","","0.71073","MoKα","","0.0483","0.0391","","","0.0936","0.1014","","","","","","1.001","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214558","6.298","0.0008","7.152","0.0008","23.508","0.003","90","","90","","90","","1058.9","0.2","200","3","200","3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5,7,13,14-Tetraoxatrispiro[2.2.2.2^9^.2^6^.2^3^]pentadecane","","- C11 H16 O4 -","- C11 H16 O4 -","- C44 H64 O16 -","4","1","BT2444","Betz, Richard; Klüfers, Peter; Reichvilser, Moritz M.","5,7,13,14-Tetraoxatrispiro[2.2.2.2^9^.2^6^.2^3^]pentadecane","Acta Crystallographica Section E","2007","63","8","o3558","o3558","10.1107/S1600536807034915","","","0.71073","MoKα","","0.0521","0.0414","","","0.0927","0.0983","","","","","","1.075","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214561","8.7674","0.001","16.1703","0.0018","18.224","0.002","90","","90","","90","","2583.6","0.5","173","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-Methyl 2-(furan-2-carboxamido)-4-methylpentanoate","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C96 H136 N8 O32 -","8","2","BX2093","Xiao-Jian Liao; Wen-Jie Xu; Shi-Hai Xu; Po-Run Liu","(<i>R</i>)-Methyl 2-(furan-2-carboxamido)-4-methylpentanoate","Acta Crystallographica Section E","2007","63","8","o3644","o3644","10.1107/S1600536807036410","","","0.71073","MoKα","","0.0612","0.0494","","","0.1242","0.1336","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214563","5.41","0.004","7.52","0.006","13.18","0.008","90","","90","","90","","536.2","0.7","240","2","240","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glutaric anhydride","Oxacyclohexane-2,6-dione","","- C5 H6 O3 -","- C5 H6 O3 -","- C20 H24 O12 -","4","1","BX2098","Stefanowicz, Piotr; Jaremko, Mariusz; Jaremko, Łukasz; Lis, Tadeusz","Oxacyclohexane-2,6-dione (glutaric anhydride)","Acta Crystallographica Section E","2007","63","8","o3431","o3431","10.1107/S1600536807032977","","","0.71073","MoKα","","0.0486","0.0412","","","0.1122","0.1157","","","","","","1.138","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214598","11.132","0.0004","19.4463","0.0007","19.5174","0.0007","90","","90","","90","","4225.1","0.3","283","2","283","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","μ-Carbonyl-1:2κ^2^C-carbonyl-1κC-(1<i>η</i>^5^-cyclopentadienyl)(μ- phenylvinylidene)bis(triphenylphosphine-2κP)manganeseplatinum(Mn—Pt)","","- C51 H41 Mn O2 P2 Pt -","- C51 H41 Mn O2 P2 Pt -","- C204 H164 Mn4 O8 P8 Pt4 -","4","1","CV2263","Vasiliev, Alexander D.; Antonova, Alla B.; Chudin, Oleg S.","μ-Carbonyl-1:2κ^2^<i>C</i>-carbonyl-1κ<i>C</i>-(1<i>{η</i>}^5^-cyclopentadienyl)(μ-phenylvinylidene)bis(triphenylphosphine-2κ<i>P</i>)manganeseplatinum(<i>Mn{—</i>Pt})","Acta Crystallographica Section E","2007","63","8","m2097","m2097","10.1107/S1600536807032254","","","0.71073","MoKα","","0.0243","0.0204","","","0.0433","0.0446","","","","","","0.948","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214612","6.3625","0.0012","11.745","0.002","23.007","0.004","90","","90","","90","","1719.3","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pregna-1,4,16-triene-3,20-dione","","- C21 H26 O2 -","- C21 H26 O2 -","- C84 H104 O8 -","4","1","CV2284","Neng-Qiang Wang; Tie-Jun Wang","Pregna-1,4,16-triene-3,20-dione","Acta Crystallographica Section E","2007","63","8","o3659","o3659","10.1107/S1600536807036732","","","0.71073","MoKα","","0.0517","0.0396","","","0.0945","0.1016","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214621","4.8651","0.0016","12.9403","0.0017","22.884","0.003","90","","90","","90","","1440.7","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-4-chloro-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate","","- C15 H15 Cl N2 O4 -","- C15 H15 Cl N2 O4 -","- C60 H60 Cl4 N8 O16 -","4","1","DN2215","Jichun Cui; Handong Yin; Yanling Qiao","(<i>E</i>)-4-Chloro-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E","2007","63","8","o3548","o3548","10.1107/S1600536807033168","","","0.71073","MoKα","","0.0795","0.0434","","","0.0832","0.0949","","","","","","0.966","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214631","6.1462","0.0004","14.2873","0.0008","14.8352","0.0013","90","","90","","90","","1302.72","0.16","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-Methyl-6-[3-(trifluoromethyl)phenyliminomethyl]phenol","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C60 H48 F12 N4 O4 -","4","1","EZ2084","Akkaya, Abdullah; Erşahin, Ferda; Şenel, İsmet; Aǧar, Erbil; Büyükgüngör, Orhan","(<i>E</i>)-2-Methyl-6-[3-(trifluoromethyl)phenyliminomethyl]phenol","Acta Crystallographica Section E","2007","63","8","o3555","o3555","10.1107/S1600536807030310","","","0.71073","MoKα","","0.089","0.076","","","0.242","0.257","","","","","","1.13","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2214633","9.6041","0.0007","10.0758","0.0007","9.2936","0.0006","90","","90","","90","","899.33","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-2-Formamido-4-methylpentanoic acid","","- C7 H13 N O3 -","- C7 H13 N O3 -","- C28 H52 N4 O12 -","4","1","EZ2086","Boyle, Grant A.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.; Naicker, Tricia","(<i>S</i>)-(+)-2-Formamido-4-methylpentanoic acid","Acta Crystallographica Section E","2007","63","8","o3445","o3445","10.1107/S1600536807032503","","","0.71073","MoKα","","0.0331","0.0309","","","0.0846","0.0863","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214639","6.9897","0.0006","12.6809","0.0011","16.4228","0.0014","90","","90","","90","","1455.6","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2,4,5-Trimethoxyphenyl)-1,3-benzothiazole","","- C16 H15 N O3 S -","- C16 H15 N O3 S -","- C64 H60 N4 O12 S4 -","4","1","FL2131","Chen, Lian-Qing","2-(2,4,5-Trimethoxyphenyl)-1,3-benzothiazole","Acta Crystallographica Section E","2007","63","8","o3395","o3395","10.1107/S1600536807032114","","","0.71073","MoKα","","0.0425","0.0337","","","0.0836","0.0888","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214673","6.1519","0.0007","12.029","0.002","23.655","0.004","90","","90","","90","","1750.5","0.5","291","1","291","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,3aS,6R,6aR)-tert-Butyl N-(6-chloro-2-oxo-6a-phenylperhydrofuro[3,2-b]furan-3-yl)carbamate","","- C17 H20 Cl N O5 -","- C17 H20 Cl N O5 -","- C68 H80 Cl4 N4 O20 -","4","1","HB2449","Erdsack, Jörg; Schürmann, Markus; Preut, Hans; Krause, Norbert","(3<i>R</i>,3a<i>S</i>,6<i>R</i>,6a<i>R</i>)-<i>tert</i>-Butyl <i>N</i>-(6-chloro-2-oxo-6a-phenylperhydrofuro[3,2-<i>b</i>]furan-3-yl)carbamate","Acta Crystallographica Section E","2007","63","8","o3371","o3371","10.1107/S1600536807031388","","","0.71073","MoKα","","0.1433","0.0285","","","0.0552","0.0785","","","","","","1.014","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214678","12.6642","0.0008","13.1613","0.0008","15.9097","0.0009","90","","90","","90","","2651.8","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-3,3'-Diphenyl-5,6,7,8,5',6',7',8'-octahydro-1,1'-binaphthyl- 2,2'-diyl chlorophosphate","","- C32 H28 Cl O3 P -","- C32 H28 Cl O3 P -","- C128 H112 Cl4 O12 P4 -","4","1","HB2462","Li, You-Ping; Ng, Seik Weng","(<i>R</i>)-3,3'-Diphenyl-5,6,7,8,5',6',7',8'-octahydro-1,1'-binaphthyl-2,2'-diyl chlorophosphate","Acta Crystallographica Section E","2007","63","8","o3359","o3359","10.1107/S1600536807031479","","","0.71073","MoKα","","0.0487","0.0365","","","0.0921","0.0989","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2214689","12.5065","0.0009","15.074","0.001","28.223","0.002","90","","90","","90","","5320.7","0.6","141.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-(Pyrene-1,8-diyl)bis(2,3-dimethoxybenzaldehyde)","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C272 H224 N16 O48 -","8","2","HB2475","Davenport, Timothy C.; Gleason, Arianna E.; Liska, Peter J.; Mugridge, Jeffrey S.; Pluth, Michael D.","<i>N</i>,<i>N</i>'-(Pyrene-1,8-diyl)bis(2,3-dimethoxybenzaldehyde)","Acta Crystallographica Section E","2007","63","8","o3621","o3621","10.1107/S1600536807035751","","","0.7107","MoKα","","0.0486","0.0486","","0.0527","","0.0527","","","","","","2.161","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214707","8.6439","0.0016","13.861","0.003","21.135","0.004","90","","90","","90","","2532.2","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{6,6'-diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-\ 1κ^4^<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6^,<i>O</i>^6'^:2κ^4^<i>O</i>^1^,\ <i>N</i>,<i>N</i>',<i>O</i>^1'^}trinitrato-1κ^6^<i>O</i>,<i>O</i>'-\ neodymium(III)copper(II))","","- C20 H22 Cu N5 Nd O13 -","- C20 H22 Cu N5 Nd O13 -","- C80 H88 Cu4 N20 Nd4 O52 -","4","1","HG2252","Sui, Yan; Fang, Xiao-Niu; Zhou, Xiao-Chun; Luo, Qiu-Yan; Xu, Ya-Ping","{μ-6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}trinitratoneodymium(III)copper(II)","Acta Crystallographica Section E","2007","63","8","m2087","m2088","10.1107/S1600536807032552","","","0.71073","MoKα","","0.0385","0.0252","","","0.0483","0.0506","","","","","","1.009","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214714","6.4725","0.0017","9.003","0.002","27.19","0.007","90","","90","","90","","1584.4","0.7","298","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5α-androst-2-en-17-one","","- C19 H28 O -","- C19 H28 O -","- C76 H112 O4 -","4","1","HG2261","Datong Zhang; Jun Liu","5α-Androst-2-en-17-one","Acta Crystallographica Section E","2007","63","8","o3645","o3645","10.1107/S1600536807036422","","","0.71073","MoKα","","0.0578","0.0481","","","0.116","0.1217","","","","","","1.087","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214715","6.643","0.005","7.997","0.003","33.23","0.008","90","","90","","90","","1765.3","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Desacetylepicaryoptin","Desacetyl epicaryoptin","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","HG2262","S. Soundarya Devi; S. S. Rajan; S. Arvind; G. N. Krishnakumari","Desacetyl epicaryoptin","Acta Crystallographica Section E","2007","63","8","o3646","o3646","10.1107/S1600536807036434","","","0.71073","MoKα","","0.1248","0.0514","","","0.1207","0.1484","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214730","4.841","0.001","11.389","0.002","16.128","0.003","90","","90","","90","","889.2","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-iodo-2,6-dimethylaniline","4-iodo-2,6-dimethylaniline","","- C8 H10 I N -","- C8 H10 I N -","- C32 H40 I4 N4 -","4","1","HK2285","Rui Liu; Yu-Hao Li; Shan Liu; Shui-Ping Deng; Hong-Jun Zhu","4-Iodo-2,6-dimethylaniline","Acta Crystallographica Section E","2007","63","8","o3542","o3542","10.1107/S1600536807032151","","","0.71073","MoKα","","0.0608","0.0499","","","0.1229","0.1436","","","","","","0.999","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214764","7.8932","0.0006","9.7615","0.001","14.8921","0.0015","90","","90","","90","","1147.43","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[aquabis(pyrazine-2-carboxylato-κ^2^N^1^,O)zinc(II)]- μ-pyrazine-2-carboxylato-κ^3^N^1^,O:N^4^]","","- C10 H8 N4 O5 Zn -","- C10 H8 N4 O5 Zn -","- C40 H32 N16 O20 Zn4 -","4","1","IS2188","Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling; Hao, Lu-Jiang","<i>catena</i>-Poly[[aqua(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)zinc(II)]-μ-pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>:<i>N</i>^4^]","Acta Crystallographica Section E","2007","63","8","m2143","m2143","10.1107/S1600536807033041","","","0.71073","MoKα","","0.0379","0.034","","","0.0923","0.0962","","","","","","1.001","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2214769","6.6179","0.0004","7.4711","0.0005","23.1087","0.0015","90","","90","","90","","1142.56","0.13","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Methoxy-2-methyl-4-nitro-1-phenyl-1H-imidazole","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C44 H44 N12 O12 -","4","1","KJ2062","Wagner, Paweł; Kubicki, Maciej","5-Methoxy-2-methyl-4-nitro-1-phenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2007","63","8","o3587","o3587","10.1107/S1600536807035301","","","0.71073","MoKα","","0.0594","0.0341","","","0.0537","0.0579","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214782","6.284","0.0002","11.2043","0.0003","14.1345","0.0005","90","","90","","90","","995.18","0.05","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-<i>C</i>-Hydroxymethyl-2,3-<i>O</i>-isopropylidene-3-<i>C</i>-methyl- β-L-erythrose","","- C9 H16 O5 -","- C9 H16 O5 -","- C36 H64 O20 -","4","1","LH2446","Booth, Kathrine V.; Jenkinson, Sarah F.; Watkin, David J.; Fleet, George W. J.","2-<i>C</i>-Hydroxymethyl-2,3-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-β-<small>L</small>-erythrose","Acta Crystallographica Section E","2007","63","8","o3386","o3386","10.1107/S1600536807031522","","","0.71073","MoKα","","0.0373","0.0306","","0.0738","0.071","0.0738","","","","","","0.9412","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214784","6.9089","0.0002","12.2072","0.0005","14.2507","0.0005","90","","90","","90","","1201.88","0.07","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,3-<i>C</i>-Dimethyl-3,4-<i>O</i>-isopropylidene-D-allono-1,5-lactone","","- C11 H18 O6 -","- C11 H18 O6 -","- C44 H72 O24 -","4","1","LH2448","Curran, Louise A.; Jenkinson, Sarah F.; Jones, Nigel A.; Watkin, David J.; Fleet, George W. J.","2,3-<i>C</i>-Dimethyl-3,4-<i>O</i>-isopropylidene-<small>D</small>-allono-1,5-lactone","Acta Crystallographica Section E","2007","63","8","o3387","o3387","10.1107/S1600536807031510","","","0.71073","MoKα","","0.0432","0.0321","","0.0726","0.0683","0.0726","","","","","","0.9228","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214785","6.6307","0.0002","11.1029","0.0004","14.1409","0.0005","90","","90","","90","","1041.05","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,6-Anhydro-1-deoxy-3,4-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-β-D- ribo-hex-2-ulofuranose","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","LH2449","Curran, Louise A.; Jenkinson, Sarah F.; Jones, Nigel A.; Watkin, David J.; Fleet, George W. J.","2,6-Anhydro-1-deoxy-3,4-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-β-<small>D</small>-<i>ribo</i>-hex-2-ulofuranose","Acta Crystallographica Section E","2007","63","8","o3388","o3388","10.1107/S1600536807031546","","","0.71073","MoKα","","0.0411","0.0309","","0.0736","0.0697","0.0736","","","","","","0.9261","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214793","6.57","0.0002","9.1317","0.0003","15.3916","0.0004","90","","90","","90","","923.42","0.05","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,4-Di-<i>C</i>-methyl-α-L-arabinose monohydrate","","- C7 H16 O6 -","- C7 H16 O6 -","- C28 H64 O24 -","4","1","LH2460","Booth, Kathrine V.; Jenkinson, Sarah F.; Watkin, David J.; Fleet, George W. J.","2,4-Di-<i>C</i>-methyl-α-<small>L</small>-arabinose monohydrate","Acta Crystallographica Section E","2007","63","8","o3592","o3593","10.1107/S1600536807035143","","","0.71073","MoKα","","0.0335","0.0285","","0.0699","0.0686","0.0699","","","","","","0.9386","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2214817","6.3159","0.0003","8.6989","0.0003","21.3277","0.0009","90","","90","","90","","1171.77","0.08","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-[(<i>S</i>)-1-Phenylethyl]-1<i>H</i>-benzimidazole","","- C15 H14 N2 -","- C15 H14 N2 -","- C60 H56 N8 -","4","1","OM2136","Williamson, Craig; Storey, John M. D.; Harrison, William T. A.","1-[(<i>S</i>)-1-Phenylethyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2007","63","8","o3482","o3482","10.1107/S1600536807029637","","","0.71073","MoKα","","0.0365","0.0324","","","0.0777","0.0805","","","","","","1.046","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214825","8.0837","0.0008","10.9362","0.0017","13.469","0.0015","90","","90","","90","","1190.7","0.3","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tri-2-furyl-phosphine oxide","","- C12 H9 O4 P -","- C12 H9 O4 P -","- C48 H36 O16 P4 -","4","1","PK2038","Jenkins, Darkus; Sykora, Richard E.; Assefa, Zerihun","Tri-2-furyl-phosphine oxide: an oxidation product of the weak Lewis base tri-2-furylphosphine","Acta Crystallographica Section E","2007","63","8","o3510","o3511","10.1107/S1600536807034125","","","0.71073","MoKα","","0.038","0.0345","","","0.0972","0.0993","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214835","7.7413","0.0016","14.37","0.003","15.951","0.003","90","","90","","90","","1774.4","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-N-(Phenylsulfanyl-[1,2-^13^C~2~]-acetyl)-2,10-camphorsultam","","- C18 H23 N O3 S2 -","- C18 H23 N O3 S2 -","- C72 H92 N4 O12 S8 -","4","1","RK2019","Ernest M. Asani; David R. Glass; Rodolfo A. Martinez; Tatiana V. Timofeeva","(<i>S</i>)-<i>N</i>-(Phenylsulfanyl-[1,2-^13^<i>C</i>~2~]-acetyl)-2,10-camphorsultam","Acta Crystallographica Section E","2007","63","8","o3450","o3450","10.1107/S1600536807031935","","","0.71073","MoKα","","0.0223","0.022","","","0.0567","0.0569","","","","","","1.008","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214848","8.2169","0.0006","15.8825","0.0012","21.7738","0.0016","90","","90","","90","","2841.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,4-Di-O-acetyl-2-azidodeoxy-1-O-nitro-α-L-fucose","","- C10 H14 N4 O8 -","- C10 H14 N4 O8 -","- C80 H112 N32 O64 -","8","2","RZ2154","McCutcheon, David C.; Norris, Peter; Zeller, Matthias","3,4-Di-<i>O</i>-acetyl-2-azidodeoxy-1-<i>O</i>-nitro-α-<small>L</small>-fucose","Acta Crystallographica Section E","2007","63","8","o3484","o3484","10.1107/S160053680703303X","","","0.71073","MoKα","","0.0348","0.033","","","0.0825","0.084","","","","","","1.047","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214863","9.9157","0.0009","12.3466","0.0011","23.058","0.002","90","","90","","90","","2822.9","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-Dehydroabietyl-4,5-diphenyl-1<i>H</i>-imidazole","1-(7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren- 1-ylmethyl)-4,5-diphenyl-1<i>H</i>-imidazole","","- C35 H40 N2 -","- C35 H40 N2 -","- C140 H160 N8 -","4","1","SI2025","Dawei Jiang; Min Hong; Fei Qiu; Jin Zhu; Lequn Huang","1-Dehydroabietyl-4,5-diphenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2007","63","8","o3623","o3624","10.1107/S1600536807035878","","","0.71073","MoKα","","0.0741","0.0387","","","0.088","0.1024","","","","","","0.79","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214883","5.595","0.0017","15.847","0.005","16.156","0.005","90","","90","","90","","1432.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S)-4-phenyl-3-(phenylaminooxy)butan-2-one","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","WK2064","Yang, Li; Fang, Hua; Zheng, Hu; Weng, Ling-Ling","(3<i>S</i>)-4-Phenyl-3-(phenylaminooxy)butan-2-one","Acta Crystallographica Section E","2007","63","8","o3568","o3568","10.1107/S1600536807034733","","","0.71073","MoKα","","0.111","0.0553","","","0.1251","0.1453","","","","","","0.847","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214922","4.9941","0.0004","10.925","0.0008","18.0729","0.0012","90","","90","","90","","986.07","0.13","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(1H-imidazolium-κN^3^)silver(I) nitrate","","- C6 H8 Ag N5 O3 -","- C6 H8 Ag N5 O3 -","- C24 H32 Ag4 N20 O12 -","4","1","XU2302","Zheng-Yuan Zhou; Mao-Sheng Liu; Xiu-Xia Zhou; Li-Cai Zhu; Yue-Peng Cai","Bis(1<i>H</i>-imidazolium-κ<i>N</i>^3^)silver(I) nitrate","Acta Crystallographica Section E","2007","63","8","m2227","m2227","10.1107/S1600536807036215","","","0.71073","MoKα","","0.024","0.023","","","0.054","0.054","","","","","","1.057","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2214931","7.4377","0.0016","24.554","0.005","9.385","0.002","90","","90","","90","","1713.9","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[3-(2-Methylbenzoyl)thioureido]-3-phenylpropionic acid","","- C18 H18 N2 O3 S -","- C18 H18 N2 O3 S -","- C72 H72 N8 O12 S4 -","4","1","AT2353","Yusof, M. Sukeri M.; Aziz, Zurina A.; Kadir, Maisara A.; Yamin, Bohari M.","2-[3-(2-Methylbenzoyl)thioureido]-3-phenylpropionic acid","Acta Crystallographica Section E","2007","63","9","o3676","o3676","10.1107/S160053680703680X","","","0.71073","MoKα","","0.0403","0.037","","","0.0938","0.096","","","","","","0.983","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214934","8.64","0.0019","9.7671","0.0009","22.24","0.005","90","","90","","90","","1876.8","0.6","203","","203","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-{5-Chloro-2-[(4-methoxybenzyl)amino]phenyl}-4-cyclopropyl- 1,1,1-trifluorobut-3-yn-2-ol","","- C21 H19 Cl F3 N O2 -","- C21 H19 Cl F3 N O2 -","- C84 H76 Cl4 F12 N4 O8 -","4","1","AT2356","Butcher, Ray J.; Jasinski, Jerry P.; Mayekar, Anil N.; Yathirajan, H. S.; Narayana, B.","2-{5-Chloro-2-[(4-methoxybenzyl)amino]phenyl}-4-cyclopropyl-1,1,1-trifluorobut-3-yn-2-ol","Acta Crystallographica Section E","2007","63","9","o3703","o3704","10.1107/S160053680703749X","","","0.71073","MoKα","","0.0988","0.032","","","0.0589","0.0685","","","","","","0.758","","","","has coordinates,has disorder,has Fobs","201974","2020-10-21","18:00:00",""
"2214954","9.4902","0.0006","10.9347","0.0008","14.8687","0.001","90","","90","","90","","1542.96","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Bromo-N'-[(E)-4-hydroxybenzylidene]-5-methoxybenzohydrazide","","- C15 H13 Br N2 O3 -","- C15 H13 Br N2 O3 -","- C60 H52 Br4 N8 O12 -","4","1","AT2377","Sarojini, B. K.; Narayana, B.; Sunil, K.; Yathirajan, H. S.; Bolte, Michael","2-Bromo-<i>N</i>'-[(<i>E</i>)-4-hydroxybenzylidene]-5-methoxybenzohydrazide","Acta Crystallographica Section E","2007","63","9","o3862","o3863","10.1107/S1600536807040603","","","0.71073","MoKα","","0.0392","0.0324","","","0.0619","0.0637","","","","","","1.061","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214984","7.2169","0.0008","11.8122","0.0014","13.2986","0.0015","90","","90","","90","","1133.7","0.2","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,4<i>S</i>)-(-)-1,7,7-Trimethyl-3,3-ethylenedioxybicyclo- [2.2.1]heptan-2-one","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","BI2223","Boyle, Grant A.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(1<i>R</i>,4<i>S</i>)-({-})-3,3-Ethylenedioxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","Acta Crystallographica Section E","2007","63","9","o3765","o3765","10.1107/S1600536807038470","","","0.71073","MoKα","","0.0425","0.0393","","","0.1087","0.1121","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2214989","7.567","0.0012","7.923","0.0013","19.042","0.0012","90","","90","","90","","1141.6","0.3","295","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-Dimethyl [(2-chlorophenyl)hydroxymethyl]phosphonate","","- C9 H12 Cl O4 P -","- C9 H12 Cl O4 P -","- C36 H48 Cl4 O16 P4 -","4","1","BQ2031","Tahir, M. Nawaz; Nurcan Acar; Hamza Yilmaz; Muhammad Danish; Ülkü, Dinçer","(<i>R</i>)-Dimethyl [(2-chlorophenyl)hydroxymethyl]phosphonate","Acta Crystallographica Section E","2007","63","9","o3817","o3818","10.1107/S1600536807039499","","","0.71073","MoKα","","1.102","0.0387","","","","0.1127","","","","","","1.102","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215002","6.0863","0.0003","11.6958","0.0004","19.6816","0.0008","90","","90","","90","","1401.02","0.1","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4-<i>O</i>-Carbonyl-1,2:5,6-di-<i>O</i>-isopropylidene-D-mannitol","","- C13 H20 O7 -","- C13 H20 O7 -","- C52 H80 O28 -","4","1","BT2451","Betz, Richard; Klüfers, Peter; Reichvilser, Moritz M.","3,4-<i>O</i>-Carbonyl-1,2:5,6-di-<i>O</i>-isopropylidene-<small>D</small>-mannitol","Acta Crystallographica Section E","2007","63","9","o3890","o3890","10.1107/S1600536807041244","","","0.71073","MoKα","","0.094","0.0445","","","0.0971","0.1137","","","","","","1.003","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215014","10.4001","0.0017","10.5186","0.0017","13.415","0.002","90","","90","","90","","1467.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-(4-Mercaptophenyl)-2,2,4-trimethylchroman","","- C18 H20 O S -","- C18 H20 O S -","- C72 H80 O4 S4 -","4","1","BT2464","Tia Jacobs; Martin W. Bredenkamp; Elise J. C. de Vries","(<i>S</i>)-4-(4-Mercaptophenyl)-2,2,4-trimethylchroman","Acta Crystallographica Section E","2007","63","9","o3736","o3736","10.1107/S1600536807038184","","","0.71073","MoKα","","0.0925","0.0829","","","0.1952","0.2017","","","","","","1.129","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215058","8.2703","0.0009","13.1939","0.0014","23.363","0.003","90","","90","","90","","2549.3","0.5","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dicyclohexano-18-crown-6 hydroxonium tribromide","","- C20 H39 Br3 O7 -","- C20 H39 Br3 O7 -","- C80 H156 Br12 O28 -","4","1","CI2434","Muhammad Idiris Saleh; Eny Kusrini; Hoong-Kun Fun; Jeannie Bee-Jan Teh","Dicyclohexano-18-crown-6 hydroxonium tribromide","Acta Crystallographica Section E","2007","63","9","o3790","o3791","10.1107/S1600536807039244","","","0.71073","MoKα","","0.0815","0.0428","","","0.0945","0.1223","","","","","","1.093","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215070","6.047","0.0002","15.7158","0.0007","29.6845","0.0012","90","","90","","90","","2821.02","0.19","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,3R,6S)-3-Chloro-trans-himachalene","","- C15 H25 Cl -","- C15 H25 Cl -","- C120 H200 Cl8 -","8","2","CS2043","Benharref, Ahmed; Mazoir, Noureddine; Moha, Berraho; Essediya, Lassaba; Daran, Jean-Claude","(1<i>S</i>,3<i>R</i>,6<i>S</i>)-3-Chloro-<i>trans</i>-himachalene","Acta Crystallographica Section E","2007","63","9","o3681","o3681","10.1107/S1600536807037403","","","0.71073","MoKα","","0.0905","0.0439","","","0.0964","0.1322","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215091","6.059","0.001","17.956","0.003","18.982","0.003","90","","90","","90","","2065.2","0.6","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-Bis(4-nitrophenyl) 2-oxoperhydrobenzo[d]imidazole-1,3-dicarboxylate","","- C21 H18 N4 O9 -","- C21 H18 N4 O9 -","- C84 H72 N16 O36 -","4","1","FL2150","Xu, Yun-Hua; Siegler, Maxime; Long, Sihui","(3a<i>R</i>,7a<i>R</i>)-Bis(4-nitrophenyl) 2-oxoperhydrobenzo[<i>d</i>]imidazole-1,3-dicarboxylate","Acta Crystallographica Section E","2007","63","9","o3835","o3835","10.1107/S1600536807039785","","","0.71073","MoKα","","0.059","0.0416","","","0.0943","0.1026","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215107","7.076","0.0006","9.5221","0.0008","12.1934","0.0012","90","","90","","90","","821.57","0.13","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-2-Formylamino-3-methylbutanoic acid","","- C6 H11 N O3 -","- C6 H11 N O3 -","- C24 H44 N4 O12 -","4","1","GK2094","Boyle, Grant A.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.; Negus, Tyrone K.; Rademeyer, Melanie","(<i>S</i>)-(+)-2-Formylamino-3-methylbutanoic acid","Acta Crystallographica Section E","2007","63","9","o3912","o3912","10.1107/S1600536807041311","","","0.71073","MoKα","","0.0694","0.0449","","","0.1228","0.1318","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215119","8.5829","0.0017","15.587","0.003","25.277","0.005","90","","90","","90","","3381.6","1.1","120","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4,4,6,6-Tetrachloro-2-[(2,4-dimethylphenyl)sulfanyl]-<i>N</i>-[4-(2,2,4,4-\ tetrachloro-1,3,5,7,11-pentaaza-2λ^5^,4λ^5^,6λ^5^-\ triphosphaspiro[5.5]undeca-1,3,5-trien-7-yl)butyl]-\ 1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinin-2-amine","","- C15 H25 Cl8 N9 P6 S -","- C15 H25 Cl8 N9 P6 S -","- C60 H100 Cl32 N36 P24 S4 -","4","1","HB2491","Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; İbişoğlu, Hanife; Kılıç, Adem; Shaw, Robert A.","4,4,6,6-Tetrachloro-2-[(2,4-dimethylphenyl)sulfanyl]-<i>N</i>-[4-(2,2,4,4-tetrachloro-1,3,5,7,11-pentaaza-2λ^5^,4λ^5^,6λ^5^-triphosphaspiro[5.5]undeca-1,3,5-trien-7-yl)butyl]-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphinin-2-amine","Acta Crystallographica Section E","2007","63","9","o3753","o3753","10.1107/S1600536807038962","","","0.71073","MoKα","","0.0641","0.0433","","","0.0946","0.1071","","","","","","0.991","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215125","6.2657","0.001","8.6591","0.0014","13.504","0.002","90","","90","","90","","732.7","0.2","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Garcinia lactone","(2S,3S)-3-hydroxy-5-oxo-2,3,4,5-tetrahydrofuran-2,3-dicarboxylic acid","","- C6 H6 O7 -","- C6 H6 O7 -","- C24 H24 O28 -","4","1","HB2498","Sudarshan Mahapatra; Srijita Basu Mallik; G. Venkateswara Rao; G. Chandrasekara Reddy; Guru Row, T. N.","Garcinia lactone","Acta Crystallographica Section E","2007","63","9","o3869","o3869","10.1107/S160053680703838X","","","0.71073","MoKα","","0.0281","0.0271","","","0.0655","0.0663","","","","","","1.101","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215140","10.6343","0.0008","10.8217","0.0007","22.603","0.002","90","","90","","90","","2601.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis{methyl [1-(6-acetyl-2-pyridyl)ethylidene]hydrazinecarbodithioato}nickel(II)","","- C22 H24 N6 Ni O2 S4 -","- C22 H24 N6 Ni O2 S4 -","- C88 H96 N24 Ni4 O8 S16 -","4","1","HG2264","Akbar Ali, Mohammad; Mirza, Aminul Huq; Bernhardt, Paul V.","Bis{methyl [1-(6-acetyl-2-pyridyl)ethylidene]hydrazinecarbodithioato}nickel(II)","Acta Crystallographica Section E","2007","63","9","m2255","m2255","10.1107/S1600536807037129","","","0.71073","MoKα","","0.0403","0.0274","","","0.0699","0.075","","","","","","1.048","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215147","11.0085","0.0015","11.8934","0.0017","15.698","0.002","90","","90","","90","","2055.3","0.5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-anilino-4-(2,4-dichlorophenyl)-6-trifluoromethyl-3,4- dihydropyrimidine-5-carboxylate","","- C20 H16 Cl2 F3 N3 O2 -","- C20 H16 Cl2 F3 N3 O2 -","- C80 H64 Cl8 F12 N12 O8 -","4","1","HG2273","Chen-Xia Yu; Song Lei; Chang-Sheng Yao; Shu-Jiang Tu","Ethyl 2-anilino-4-(2,4-dichlorophenyl)-6-trifluoromethyl-3,4-dihydropyrimidine-5-carboxylate","Acta Crystallographica Section E","2007","63","9","o3804","o3804","10.1107/S1600536807037786","","","0.71073","MoKα","","0.0596","0.0373","","","0.0812","0.0917","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215150","7.8783","0.0001","12.2854","0.0002","35.3968","0.0005","90","","90","","90","","3425.99","0.09","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(+)-3,3'-(1,1'-Binaphthyl-2,2'-dioxy)diphthalonitrile benzene solvate","","- C42 H24 N4 O2 -","- C42 H24 N4 O2 -","- C168 H96 N16 O8 -","4","1","HG2276","Zhang, Xiao-Mei; Lu, Ji-Tao","(<i>R</i>)-(+)-3,3'-(1,1'-Binaphthyl-2,2'-dioxy)diphthalonitrile benzene solvate","Acta Crystallographica Section E","2007","63","9","o3861","o3861","10.1107/S1600536807040639","","","0.71073","MoKα","","0.0825","0.0523","","","0.1308","0.1485","","","","","","1.038","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215153","8.3772","0.0006","13.7441","0.001","16.9684","0.0012","90","","90","","90","","1953.7","0.2","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(11R)-13-(Benzylamino)-4,5-epoxy-11,13-dihydrocostunolide","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","HG2279","Nasim, Shama; Parkin, Sean; Crooks, Peter A.","(11<i>R</i>)-13-(Benzylamino)-4,5-epoxy-11,13-dihydrocostunolide","Acta Crystallographica Section E","2007","63","9","o3922","o3922","10.1107/S1600536807041712","","","1.54178","CuKα","","0.0371","0.0363","","","0.0949","0.096","","","","","","1.079","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215157","5.039","0.003","13.656","0.008","14.043","0.009","90","","90","","90","","966.3","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(μ~3~-N-acetyl-L-histidinato-κ^4^N,O:O:O')silver(I)]","","- C8 H10 Ag N3 O3 -","- C8 H10 Ag N3 O3 -","- C32 H40 Ag4 N12 O12 -","4","1","HG2285","Noriko, Kasuga C.; Shinichiro Tsuruta; Akifumi Amano; Kenji Nomiya","Poly[(μ~3~-<i>N</i>-acetyl-<small>L</small>-histidinato-κ^4^<i>N</i>,<i>O</i>:<i>O</i>:<i>O</i>')silver(I)]","Acta Crystallographica Section E","2007","63","9","m2440","m2440","10.1107/S1600536807041724","","","0.71073","MoKα","","0.029","0.0276","","","0.0626","0.0635","","","","","","1.114","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215179","6.9065","0.0001","15.748","0.0004","15.838","0.0004","90","","90","","90","","1722.6","0.07","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-Benzyl 2-(6-methyl-2-pyridylaminocarbonyl)pyrrolidine-1-carboxylate","","- C19 H21 N3 O3 -","- C19 H21 N3 O3 -","- C76 H84 N12 O12 -","4","1","IM2028","Kang, Tai-Ran; Ng, Seik Weng; He, Long","(<i>S</i>)-Benzyl 2-(6-methyl-2-pyridylaminocarbonyl)pyrrolidine-1-carboxylate","Acta Crystallographica Section E","2007","63","9","o3847","o3847","10.1107/S1600536807036689","","","0.71073","MoKα","","0.0329","0.0322","","","0.0911","0.0918","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215197","8.7881","0.0002","9.7924","0.0002","15.8527","0.0003","90","","90","","90","","1364.23","0.05","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Trichlormethiazide","6-chloro-3-(dichloromethyl)-3,4-dihydro-2<i>H</i>-1,2,4-benzothiadazine- 7-sulfonamide 1,1-dioxide","","- C8 H8 Cl3 N3 O4 S2 -","- C8 H8 Cl3 N3 O4 S2 -","- C32 H32 Cl12 N12 O16 S8 -","4","1","LH2457","Fernandes, Philippe; Leech, Charlotte K.; Johnston, Andrea; Shankland, Kenneth; David, William I. F.; Shankland, Norman; Florence, Alastair J.","(<i>S</i>)-Trichlormethiazide","Acta Crystallographica Section E","2007","63","9","o3685","o3685","10.1107/S1600536807034137","","","0.71073","MoKα","","0.0334","0.0318","","","0.0781","0.0788","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215209","6.905","0.0003","13.9594","0.0007","15.6665","0.0008","90","","90","","90","","1510.09","0.13","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Methylimidazolium 3-carboxy-4-hydroxybenzenesulfonate dihydrate","","- C11 H16 N2 O8 S -","- C11 H16 N2 O8 S -","- C44 H64 N8 O32 S4 -","4","1","LH2478","Hou, Hai-Yun","2-Methylimidazolium 3-carboxy-4-hydroxybenzenesulfonate dihydrate","Acta Crystallographica Section E","2007","63","9","o3868","o3868","10.1107/S160053680704069X","","","0.71073","MoKα","","0.0567","0.0493","","","0.1195","0.1325","","","","","","1.109","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215239","10.612","0.002","11.566","0.002","17.067","0.003","90","","90","","90","","2094.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(1<i>R</i>,4aS)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a- octahydrophenanthren-1-yl](piperidin-1-yl)methanone","","- C25 H37 N O -","- C25 H37 N O -","- C100 H148 N4 O4 -","4","1","OM2152","Xiao-Ping Rao; Zhan-Qian Song; Wei-Hong Jia; Shi-Bin Shang","[(1<i>R</i>,4a<i>S</i>)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10<i>a</i>-octahydrophenanthren-1-yl](piperidin-1-yl)methanone","Acta Crystallographica Section E","2007","63","9","o3886","o3886","10.1107/S1600536807040998","","","0.71073","MoKα","","0.0746","0.051","","","0.1195","0.134","","","","","","1.001","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215257","7.3627","0.0001","14.0874","0.0003","16.7287","0.0003","90","","90","","90","","1735.12","0.05","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Phenyluridine trihydrate","2,4-dihydroxy-5-phenyl-1-β-D-ribofuranosylpyrimidine trihydrate","","- C15 H22 N2 O9 -","- C15 H22 N2 O9 -","- C60 H88 N8 O36 -","4","1","RT2004","Valerio Bertolasi; Pavel Hradil; Lucie Spáčilová; Alfred Muller; Jan Hlaváč","5-Phenyluridine trihydrate","Acta Crystallographica Section E","2007","63","9","o3805","o3805","10.1107/S1600536807039414","","","0.71073","MoKα","","","0.0529","","","","0.1849","","","","","","1.157","","","","has coordinates,has disorder,has Fobs","194538","2020-10-21","18:00:00",""
"2215258","5.3477","0.0003","9.1719","0.0006","13.5284","0.0008","90","","90","","90","","663.55","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[μ~2~-L-alanine-μ~3~-nitrato-sodium(I)]","","- C3 H7 N2 Na O5 -","- C3 H7 N2 Na O5 -","- C12 H28 N8 Na4 O20 -","4","1","RT2007","Van Hecke, Kristof; Cartuyvels, Els; Parac-Vogt, Tatjana N.; Görller-Walrand, Christiane; Van Meervelt, Luc","Poly[μ~2~-<small>L</small>-alanine-μ~3~-nitrato-sodium(I)]","Acta Crystallographica Section E","2007","63","9","m2354","m2354","10.1107/S1600536807039438","","","1.54178","CuKα","","0.0388","0.0371","","","0.0914","0.0924","","","","","","1.095","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215292","12.6858","0.0009","13.1117","0.0009","13.353","0.001","90","","90","","90","","2221","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Cedrelone butyrolactone","24-nor-13α,14β,15β,17α-chola-1,5,20-triene- 14,15:21,23-diepoxy-6-hydroxy-4,4,8-trimethyl-3,7,21-trione","","- C26 H30 O6 -","- C26 H30 O6 -","- C104 H120 O24 -","4","1","WN2184","S. Soundarya Devi; R. Malathi; S. S. Rajan; K. Ravikumar","Cedrelone butyrolactone","Acta Crystallographica Section E","2007","63","9","o3806","o3807","10.1107/S1600536807039402","","","0.71073","MoKα","","0.0627","0.0473","","","0.1171","0.1252","","","","","","1.076","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215294","6.4536","0.0002","6.7954","0.0002","20.7965","0.0008","90","","90","","90","","912.03","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4,5-Trihydroxypipecolic acid dihydrate","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4,5-Trihydroxypiperidine-2-\ carboxylic acid dihydrate","","- C6 H15 N O7 -","- C6 H15 N O7 -","- C24 H60 N4 O28 -","4","1","WN2187","Kathrine V. Booth; Sarah F. Jenkinson; Watkin, David J.; Hazel Sharp; Paul Wyn Jones; Robert J. Nash; George W. J. Fleet","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4,5-Trihydroxypipecolic acid dihydrate [(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4,5-trihydroxypiperidine-2-carboxylic acid dihydrate]","Acta Crystallographica Section E","2007","63","9","o3783","o3784","10.1107/S1600536807039281","","","0.71073","MoKα","","0.0417","0.0381","","0.0973","0.0954","0.0973","","","","","","0.9684","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215322","5.9896","0.0007","15.2593","0.0018","21.581","0.002","90","","90","","90","","1972.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(μ~2~-1,4-benzenedicarboxylato)aquadipyridinecopper(II) 0.25-hydrate]","","- C18 H16.5 Cu N2 O5.25 -","- C18 H16 Cu N2 O5.25 -","- C72 H64 Cu4 N8 O21 -","4","1","AT2383","Wang, Ming-Sheng; Zhou, Guo-Wei; Guo, Guo-Cong; Huang, Jin-Shun","Poly[(μ~2~-1,4-benzenedicarboxylato)aquadipyridinecopper(II) 0.25-hydrate]","Acta Crystallographica, Section E","2007","63","10","m2524","m2524","10.1107/S1600536807043942","","","0.71073","MoKα","","0.1223","0.0653","","","0.1243","0.1408","","","","","","1.007","","","","has coordinates","277836","2022-09-14","17:02:02",""
"2215345","7.0601","0.0006","10.5406","0.0006","15.7074","0.001","90","","90","","90","","1168.91","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Di-<i>tert</i>-butylmethylphosphonium chloride","","- C9 H22 Cl P -","- C9 H22 Cl P -","- C36 H88 Cl4 P4 -","4","1","AT2409","Müller, Manuela; Lerner, Hans-Wolfram; Bolte, Michael","Di-<i>tert</i>-butylmethylphosphonium chloride","Acta Crystallographica Section E","2007","63","10","o4150","o4150","10.1107/S1600536807046417","","","0.71073","MoKα","","0.024","0.0231","","","0.0595","0.06","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215373","6.1391","0.0002","8.9537","0.0002","12.5976","0.0004","90","","90","","90","","692.46","0.04","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-Methyl-2-pyrrolidone hydrochloride","N-Methyl-2-pyrrolidone hydrochloride","","- C5 H10 Cl N O -","- C5 H10 Cl N O -","- C20 H40 Cl4 N4 O4 -","4","1","BT2495","Sebastian Herler; Peter Mayer; Axel Schulz; Alexander Villinger","<i>N</i>-Methyl-2-pyrrolidone hydrochloride","Acta Crystallographica Section E","2007","63","10","o3991","o3991","10.1107/S1600536807042997","","","0.71073","MoKα","","0.0325","0.0297","","","0.0702","0.0722","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215404","6.1276","0.0002","8.8248","0.0003","30.2629","0.001","90","","90","","90","","1636.46","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-O-(4,4'-Dimethylbenzhydryl)-L-erythronolactone","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","CF2137","Petursson, Sigthor; Jenkinson, Sarah F.; Booth, Kathrine V.; Weymouth-Wilson, Alexander C.; Watkin, David J.; Fleet, George W.J.; Best, Daniel","2-<i>O</i>-(4,4'-Dimethylbenzhydryl)-<small>L</small>-erythronolactone","Acta Crystallographica Section E","2007","63","10","o4121","o4121","10.1107/S1600536807044911","","","0.71073","MoKα","","0.0943","0.0592","","0.1708","0.15","0.1708","","","","","","0.9337","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215416","6.7578","0.0016","12.107","0.003","21.269","0.005","90","","90","","90","","1740.2","0.7","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1'-Ureylenedi-7,7-dimethylbicyclo[2.2.1]heptan-2-one","","- C19 H28 N2 O3 -","- C19 H28 N2 O3 -","- C76 H112 N8 O12 -","4","1","CI2449","Gao, Yu-Xing; Liu, Peng; Fang, Yi-Xin; Tang, Guo; Zhao, Yu-Fen","1,1'-Ureylenedi-7,7-dimethylbicyclo[2.2.1]heptan-2-one","Acta Crystallographica Section E","2007","63","10","o3994","o3994","10.1107/S1600536807042754","","","0.71073","MoKα","","0.048","0.045","","","0.113","0.115","","","","","","1.106","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215463","5.9497","0.0003","10.6987","0.0008","13.4021","0.0012","90","","90","","90","","853.1","0.11","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,6-dimethylquinoline","","- C11 H11 N -","- C11 H11 N -","- C44 H44 N4 -","4","1","EZ2096","Ying-Qian Xu; Jun-Yi Hu","2,6-Dimethylquinoline","Acta Crystallographica Section E","2007","63","10","o3993","o3993","10.1107/S1600536807043139","","","0.7107","MoKα","","0.0456","0.0411","","","0.099","0.1015","","","","","","1.147","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215470","7.678","0.004","8.063","0.004","19.58","0.01","90","","90","","90","","1212.2","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-hydroxy-3-(1-methylethylidene)-6,7,8,8a-tetrahydro-1-oxaacenaphthylen-2-one","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","FL2135","Wang, Qi; Chen, Dao-Feng","2-Hydroxyplatyphyllid","Acta Crystallographica Section E","2007","63","10","o4018","o4018","10.1107/S1600536807037105","","","0.71073","MoKα","","0.1097","0.0795","","","0.1536","0.1643","","","","","","1.201","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215475","10.907","0.002","14.2","0.003","17.391","0.004","90","","90","","90","","2693.5","1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3,7-dideacetylkhivorin","1α-acetyloxy-14,15β:21,23-diepoxy-3α,7α-dihydroxy-4,4,8-trimethyl-D-\ <i>homo</i>-24-<i>nor</i>-17-oxochola-20,22-dien-16-one","","- C28 H38 O8 -","- C28 H38 O8 -","- C112 H152 O32 -","4","1","FL2161","Zhang, Huaping; VanDerveer, Don; Chen, Feng; Wang, Xi; Wargovich, Michael J.","3,7-Dideacetylkhivorin","Acta Crystallographica Section E","2007","63","10","o4162","o4162","10.1107/S1600536807046363","","","0.7107","MoKa","","0.0458","0.0407","","","0.1045","0.1085","","","","","","1.065","","","","has coordinates,has Fobs","213923","2020-10-21","18:00:00",""
"2215479","7.0292","0.0001","11.9861","0.0005","18.0014","0.0007","90","","90","","90","","1516.67","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(3R*,1'S*,3'R*)-2-(2''-hydroxyethyl)-3- (3'-hydroxy-1'H,3'H- benzo[c]furan)-1'-yl-1H,3H-benzo[c]pyrrol-1-one","(3<i>R</i>*,1'<i>S</i>*,3'<i>R</i>*)-3-(3'-Hydroxy-1'<i>H</i>,3'<i>H</i>- benzo[<i>c</i>]furan-1'-yl)-2-(2''-hydroxyethyl)-2,3-dihydro-1<i>H</i>- benzo[<i>c</i>]pyrrol-1-one","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","GG2023","Urban, Jiří; Fábry, Jan; Zuman, Petr; Ludvík, Jiří; Císařová, Ivana","(3<i>R</i>*,1'<i>S</i>*,3'<i>R</i>*)-3-(3'-Hydroxy-1'<i>H</i>,3'<i>H</i>-benzo[<i>c</i>]furan-1'-yl)-2-(2''-hydroxyethyl)-2,3-dihydro-1<i>H</i>-benzo[<i>c</i>]pyrrol-1-one","Acta Crystallographica Section E","2007","63","10","o4139","o4140","10.1107/S1600536807045308","","","0.71073","MoKα","","0.0509","0.0365","","","0.0663","0.0693","","","","","","1.65","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215507","7.018","0.005","10.364","0.008","20.72","0.02","90","","90","","90","","1507","2","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[[(2,2'-bipyridylamine-κ^2^N,N')copper(II)]- μ~2~-L-aspartate-κ^3^O,N:O'] monohydrate]","","- C14 H16 Cu N4 O5 -","- C14 H16 Cu N4 O5 -","- C56 H64 Cu4 N16 O20 -","4","1","HB2533","Okabe, Nobuo; Mototsuji, Mari; Yodoshi, Masahiro","<i>catena</i>-Poly[[[(2,2'-bipyridylamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ~2~-<small>L</small>-aspartate-κ^3^<i>O</i>,<i>N</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2007","63","10","m2518","m2519","10.1107/S1600536807043905","","","0.7107","MoKα","","","0.04","","","","0.079","","","","","","0.944","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2215512","7.287","0.001","12.228","0.002","13.431","0.002","90","","90","","90","","1196.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Hydroxy-3,4,5-trimethyl-6-oxo-2,3,4,6-tetrahydroisoquinoline-7-carboxylic acid","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","HB2541","Zhao, Hui; Gong, Hai-Bin","8-Hydroxy-3,4,5-trimethyl-6-oxo-2,3,4,6-tetrahydroisoquinoline-7-carboxylic acid","Acta Crystallographica Section E","2007","63","10","o4097","o4097","10.1107/S1600536807045424","","","0.71073","MoKα","","0.1074","0.0678","","","0.1874","0.2308","","","","","","1.132","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215538","6.7574","0.0012","7.8615","0.0014","14.371","0.003","90","","90","","90","","763.4","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Perhydrophthalimide","","- C8 H11 N O2 -","- C8 H11 N O2 -","- C32 H44 N4 O8 -","4","1","HK2317","Wang, De-Cai; Jiang, Liang; Lin, Wei; Pan, Yong; Sun, Ning-Ning","Perhydrophthalimide","Acta Crystallographica Section E","2007","63","10","o3990","o3990","10.1107/S1600536807042742","","","0.71073","MoKα","","0.0356","0.033","","","0.0874","0.0896","","","","","","1.065","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215557","6.2149","0.0005","14.138","0.001","19.05","0.001","90","","90","","90","","1673.9","0.2","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-ethyl 3-(benzamido)-2-cyano-3-(4-fluorophenyl)acrylate","","- C19 H15 F N2 O3 -","- C19 H15 F N2 O3 -","- C76 H60 F4 N8 O12 -","4","1","IM2031","Dehua Zhang; Jianquan Lu; Xiaoyan Zhang","(<i>Z</i>)-Ethyl 3-benzamido-2-cyano-3-(4-fluorophenyl)acrylate","Acta Crystallographica Section E","2007","63","10","o4053","o4053","10.1107/S1600536807044145","","","0.71073","MoKα","","0.078","0.0572","","","0.1138","0.124","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2215584","6.914","0.0008","9.3481","0.0011","11.0289","0.0011","90","","90","","90","","712.83","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis(cyanido-κC)(ethane-1,2-diamine-κ^2^N,N')silver(II)","","- C4 H8 Ag N4 -","- C4 H8 Ag N4 -","- C16 H32 Ag4 N16 -","4","1","LH2497","Ahmad, Saeed; Monim-ul-Mehboob, Muhammad; Hanif, Muhammad; Altaf, Muhammad; Stoeckli-Evans, Helen","Bis(cyanido-κ<i>C</i>)(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')silver(II)","Acta Crystallographica Section E","2007","63","10","m2548","m2548","10.1107/S1600536807044431","","","0.71073","MoKα","","0.0166","0.0163","","","0.0419","0.042","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215601","5.3719","0.0003","6.8819","0.0003","10.8378","0.0006","90","","90","","90","","400.66","0.04","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Cyclobutane-1,2-dione","Cyclobutane-1,2-dione","","- C4 H4 O2 -","- C4 H4 O2 -","- C16 H16 O8 -","4","1","NC2049","Betz, Richard; Klüfers, Peter","Cyclobutane-1,2-dione","Acta Crystallographica Section E","2007","63","10","o3981","o3981","10.1107/S1600536807042924","","","0.71073","MoKα","","0.0386","0.0307","","","0.075","0.0812","","","","","","1.088","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215638","11.639","0.004","13.027","0.002","14.417","0.005","90","","90","","90","","2185.9","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isocedrelone","17-furan-3-yl-6,15-dihydroxy-4,4,8,10,14-pentamethyl-8,9,10,11,12,14,15,16- octahydro-4<i>H</i>-cyclopenta[<i>a</i>]phenanthrene-3,7-dione","","- C26 H30 O5 -","- C26 H30 O5 -","- C104 H120 O20 -","4","1","RK2029","S. Soundarya Devi; R. Malathi; S. S. Rajan; V. P. Santhanakrishnan; S. Narasimhan","Isocedrelone","Acta Crystallographica Section E","2007","63","10","o3948","o3948","10.1107/S1600536807042201","","","0.71073","MoKα","","0.147","0.0587","","","0.1509","0.1875","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215650","10.1102","0.0004","13.6587","0.0005","19.4363","0.0008","90","","90","","90","","2684","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>S</i>,<i>R</i>p)-(+)-2-{1-[1-(2-diphenylphosphino ferrocenyl)ethyl]pyrrolidin-2-yl}propan-2-ol","","- C31 H36 Fe N O P -","- C31 H36 Fe N O P -","- C124 H144 Fe4 N4 O4 P4 -","4","1","SI2031","Liu, Jin-Ting; Mao, Yan-Jun; Xi, Ri-Muo; Dong, Wen-Liang","(<i>S</i>,<i>S</i>,<i>Rp</i>)-(+)-2-{1-[1-(2-Diphenylphosphinoferrocenyl)ethyl]pyrrolidin-2-yl}propan-2-ol","Acta Crystallographica Section E","2007","63","10","m2499","m2500","10.1107/S160053680704305X","","","0.71073","MoKα","","0.0442","0.0331","","","0.0817","0.0884","","","","","","0.921","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2215654","7.415","0.005","12.621","0.008","14.4387","0.0013","90","","90","","90","","1351.2","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2'-(4-methoxybenzylidene)isonicotinohydrazide monohydrate","","- C14 H15 N3 O3 -","- C14 H15 N3 O3 -","- C56 H60 N12 O12 -","4","1","SJ2327","Lin, Min; Liu, Shi-Xiong","A new polymorph of 2'-(4-methoxybenzylidene)isonicotinohydrazide monohydrate","Acta Crystallographica Section E","2007","63","10","o3974","o3974","10.1107/S1600536807042067","","","0.71073","MoKα","","0.0763","0.0513","","","0.1249","0.1355","","","","","","1.094","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215695","11.8983","0.0003","14.3772","0.0003","15.1835","0.0003","90","","90","","90","","2597.35","0.1","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","24-Norolean-12-en-28-oic acid, 2,19-dihydroxy-3-oxo-,(2α, 4α, 19α) monohydrate","2,19-Dihydroxy-3-oxo-(2α,4α,19α)-24-nor-olean-12-en-28-oic acid monohydrate","","- C29 H46 O6 -","- C29 H46 O6 -","- C116 H184 O24 -","4","1","WN2205","Watcharee Waratchareeyakul; Kittisak Seatyoa; Suchada Chantrapromma; Hoong-Kun Fun","2,19-Dihydroxy-3-oxo-(2α,4α,19α)-24-nor-olean-12-en-28-oic acid monohydrate","Acta Crystallographica Section E","2007","63","10","o4062","o4063","10.1107/S1600536807044339","","","0.71073","MoKα","","0.0428","0.039","","","0.1071","0.11","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215707","7.38","0.0016","10.8935","0.0014","22.01","0.02","90","","90","","90","","1769.5","1.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1-{(<i>E</i>)-2-[(2E,3Z)-4-Oxidopent-3-en-2- ylideneamino]ethyliminomethyl}naphthalen-2-olato)manganese(II) methanol solvate","","- C19 H22 Mn N2 O3 -","- C19 H22 Mn N2 O3 -","- C76 H88 Mn4 N8 O12 -","4","1","XU2325","Xu, Bin; Ran, Jing-Wen; Li, Ya-Hong","(1-{(<i>E</i>)-2-[(2<i>E</i>,3<i>Z</i>)-4-Oxidopent-3-en-2-ylideneamino]ethyliminomethyl}naphthalen-2-olato)manganese(II) methanol solvate","Acta Crystallographica Section E","2007","63","10","m2579","m2579","10.1107/S1600536807045370","","","0.71073","MoKα","","0.1044","0.0503","","","0.1218","0.1516","","","","","","0.907","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215717","4.5204","0.0005","11.3606","0.0014","23.501","0.003","90","","90","","90","","1206.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-bis(4-fluorophenyl)propan-2-one","","- C15 H12 F2 O -","- C15 H12 F2 O -","- C60 H48 F8 O4 -","4","1","ZL2068","Guzei, Ilia A.; Kolonko, Kris; Reich, Hans","Unexpected crystallization of 1,3-bis(4-fluorophenyl)propan-2-one in paratone oil","Acta Crystallographica Section E","2007","63","10","o4094","o4094","10.1107/S1600536807044704","","","0.71073","MoKα","","0.0609","0.0339","","","0.066","0.0732","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215754","6.6349","0.0019","10.659","0.004","24.586","0.007","90","","90","","90","","1738.8","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glaucocalyxin A","7α,14β-dihydroxy-ent-kaur-16-ene-3,5-dione","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","BG2095","Ma, Xing-Ke; He, Zhi-An; Bai, Su-Ping","A diterpenoid from <i>Isodon japonica</i> var. glaucocalyx","Acta Crystallographica Section E","2007","63","11","o4203","o4203","10.1107/S1600536807043048","","","0.71073","MoKα","","0.0531","0.044","","","0.1212","0.1269","","","","","","0.995","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215768","6.8715","0.0009","19.892","0.003","22.594","0.003","90","","90","","90","","3088.3","0.7","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1'-Methylenebis(2,3-dimethylimidazolium) dipicrate acetonitrile solvate","","- C25 H25 N11 O14 -","- C25 H25 N11 O14 -","- C100 H100 N44 O56 -","4","1","BH2132","Li, Jian","1,1'-Methylenebis(2,3-dimethylimidazolium) dipicrate acetonitrile solvate","Acta Crystallographica Section E","2007","63","11","o4470","o4470","10.1107/S160053680705338X","","","0.71073","MoKα","","0.0749","0.0591","","","0.1394","0.1478","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215787","13.136","0.002","14.071","0.002","20.636","0.003","90","","90","","90","","3814.3","1","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tris(1,10-phenanthroline-5,6-dione-κ^2^N,N')copper(II) bis(perchlorate) 4.5-hydrate","","- C36 H27 Cl2 Cu N6 O18.5 -","- C36 H27 Cl2 Cu N6 O18.5 -","- C144 H108 Cl8 Cu4 N24 O74 -","4","1","BR2056","Khalaji, Aliakbar Dehno; Slawin, Alexandra M. Z.; Woollins, J. Derek","Tris(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(perchlorate) 4.5-hydrate","Acta Crystallographica Section E","2007","63","11","m2848","m2848","10.1107/S1600536807052348","","","0.71073","MoKα","","0.0544","0.0468","","","0.1147","0.1216","","","","","","0.954","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2215804","9.0609","0.0003","10.0777","0.0003","13.0192","0.0003","90","","90","","90","","1188.82","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Pyrrolidine","2-(Pyrrolidin-1-ylmethyl)isoindoline-1,3-dione","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","BT2534","P. Sakthivel; P. S. Joseph; A. Sebastiyan; M. Yosuva Suvaikin; M. Ramesh","2-(Pyrrolidin-1-ylmethyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2007","63","11","o4388","o4388","10.1107/S1600536807050519","","","0.71073","MoKα","","0.0679","0.0442","","","0.1182","0.1335","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215807","7.6493","0.0008","12.8459","0.001","14.2061","0.0011","90","","90","","90","","1395.9","0.2","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl (1-methyl-3-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate","","- C13 H15 N3 O2 S -","- C13 H15 N3 O2 S -","- C52 H60 N12 O8 S4 -","4","1","BT2537","Kruszynski, Rafal; Trzesowska, Agata; Przybycin, Magdalena; Dopieralski, Mariusz; Dobosz, Maria","Ethyl (1-methyl-3-phenyl-5-thioxo-4,5-dihydro-1<i>H</i>-1,2,4-triazol-4-yl)acetate","Acta Crystallographica Section E","2007","63","11","o4371","o4371","10.1107/S1600536807050635","","","1.54178","CuKα","","0.0509","0.0402","","","0.113","0.1202","","","","","","1.045","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215810","7.1741","0.0014","8.5862","0.0017","19.994","0.004","90","","90","","90","","1231.6","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,5,6,7-Tetrafluoro-2-(2-hydroxyphenyl)isoindoline-1,3-dione","","- C14 H5 F4 N O3 -","- C14 H5 F4 N O3 -","- C56 H20 F16 N4 O12 -","4","1","BT2541","Wang, Shou-Xin; Tian, Lai-Jin","4,5,6,7-Tetrafluoro-2-(2-hydroxyphenyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2007","63","11","o4382","o4382","10.1107/S1600536807050908","","","0.71073","MoKα","","0.0304","0.029","","","0.0768","0.0783","","","","","","1.085","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215827","8.629","0.002","9.155","0.002","26.484","0.005","90","","90","","90","","2092.2","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,8-Dimethoxy-4,10-dimethyl-1,3,7,9-tetranitro Tröger's base","2,8-Dimethoxy-4,10-dimethyl-1,3,7,9-tetranitro-6<i>H</i>,12<i>H</i>- 5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine","","- C19 H18 N6 O10 -","- C19 H18 N6 O10 -","- C76 H72 N24 O40 -","4","1","BV2074","Bhuiyan, M. Delower H.; Jensen, Paul; Try, Andrew C.","2,8-Dimethoxy-4,10-dimethyl-1,3,7,9-tetranitro-6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine","Acta Crystallographica Section E","2007","63","11","o4393","o4393","10.1107/S1600536807050945","","","0.71073","MoKα","","0.0337","0.0312","","","0.0835","0.0869","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215839","9.6123","0.0008","15.7991","0.0013","21.4207","0.0018","90","","90","","90","","3253.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Al-TADDOLate","(2,2-Dimethyl-α,α,α',α'-tetraphenyl-1,3-dioxolane-4,5-dimethanolato- κ^2^<i>O</i>^4^,<i>O</i>^5^)ethyl(tetrahydrofuran-κ<i>O</i>)aluminium(III)","","- C37 H41 Al O5 -","- C37 H41 Al O5 -","- C148 H164 Al4 O20 -","4","1","CI2463","Chen, Chien-An; Wu, Kuo-Hui; Gau, Han-Mou","(2,2-Dimethyl-α,α,α',α'-tetraphenyl-1,3-dioxolane-4,5-dimethanolato-κ^2^<i>O</i>^4^,<i>O</i>^5^)ethyl(tetrahydrofuran-κ<i>O</i>)aluminium(III)","Acta Crystallographica Section E","2007","63","11","m2665","m2666","10.1107/S1600536807048052","","","0.71073","MoKα","","0.054","0.0423","","","0.1144","0.1216","","","","","","1.07","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215852","6.777","0.0003","16.2626","0.0006","17.373","0.0005","90","","90","","90","","1914.71","0.12","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(4,4'-bipyridine-κ^2^N,N')manganese(II)]- μ-3-(4-carboxylatophenoxy)propionato-κ^3^O:O',O'']","","- C20 H18 Mn N2 O6 -","- C20 H18 Mn N2 O6 -","- C80 H72 Mn4 N8 O24 -","4","1","CI2488","Li-Li Kong; Shan Gao; Li-Hua Huo; Ng, Seik Weng","<i>catena</i>-Poly[[aqua(4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-3-(4-carboxylatophenoxy)propionato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'']","Acta Crystallographica Section E","2007","63","11","m2851","m2851","10.1107/S160053680705218X","","","0.71073","MoKα","","0.0592","0.0334","","","0.0761","0.0885","","","","","","0.949","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215853","6.7193","0.0002","16.1369","0.0005","17.2762","0.0007","90","","90","","90","","1873.24","0.11","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[aqua(4,4'-bipyridine-κ^2^N,N')cobalt(II)]- μ-3-(4-carboxylatophenoxy)propionato-κ^3^O:O',O'']","","- C20 H18 Co N2 O6 -","- C20 H18 Co N2 O6 -","- C80 H72 Co4 N8 O24 -","4","1","CI2489","Li-Li Kong; Shan Gao; Li-Hua Huo; Ng, Seik Weng","<i>catena</i>-Poly[[aqua(4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-3-(4-carboxylatophenoxy)propionato-κ^3^<i>O</i>:<i>O</i>',<i>O</i>'']","Acta Crystallographica Section E","2007","63","11","m2852","m2852","10.1107/S1600536807052191","","","0.71073","MoKα","","0.0561","0.034","","","0.0747","0.0865","","","","","","0.998","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2215855","10.4321","0.0005","10.5977","0.0005","19.0145","0.0009","90","","90","","90","","2102.17","0.17","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Conessine","conessine","","- C24 H40 N2 -","- C24 H40 N2 -","- C96 H160 N8 -","4","1","CS2048","Alain Meli Lannang; Shazia Anjum; Jean Gustave Tangmouo; Karsten Krohn; M. Iqbal Choudhary","Conessine isolated from <i>Holarrhena floribunda</i>","Acta Crystallographica Section E","2007","63","11","o4398","o4398","10.1107/S1600536807051215","","","0.71073","MoKα","","0.0515","0.0478","","","0.1158","0.1185","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215870","6.0653","0.0008","12.4906","0.0016","25.472","0.003","90","","90","","90","","1929.7","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,5α,15α-Trihydroxy-5-androsten-17-one dihydrate","","- C19 H32 O6 -","- C19 H32 O6 -","- C76 H128 O24 -","4","1","CV2322","Wei Zhou; Guo-Hong Wang; Wei-Xiao Hu; Chun-Nian Xia","3β,5α,15α-Trihydroxy-5-androsten-17-one dihydrate","Acta Crystallographica Section E","2007","63","11","o4445","o4445","10.1107/S1600536807052336","","","0.71073","MoKα","","0.0415","0.0365","","","0.0951","0.0986","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215874","6.0881","0.0005","14.7605","0.0011","18.9354","0.0014","90","","90","","90","","1701.6","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-Methyl-2-[1-(p-tolylsulfonyl)pyrrolidin-2-ylmethylsulfanyl]-\ 1<i>H</i>-imidazole","","- C16 H21 N3 O2 S2 -","- C16 H21 N3 O2 S2 -","- C64 H84 N12 O8 S8 -","4","1","DN2234","Pingsheng Chen; Xuefen Liu; Shuping Luo; Danqian Xu","(<i>S</i>)-1-Methyl-2-[1-(<i>p</i>-tolylsulfonyl)pyrrolidin-2-ylmethylsulfanyl]-1<i>H</i>-imidazole","Acta Crystallographica Section E","2007","63","11","o4260","o4260","10.1107/S1600536807047757","","","0.71073","MoKα","","0.078","0.0721","","","0.1414","0.144","","","","","","1.268","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215888","11.95","0.0011","13.7531","0.0016","25.377","0.003","90","","90","","90","","4170.7","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,4<i>S</i>,8<i>R</i>,12<i>S</i>,13<i>S</i>,14<i>R</i>,16<i>S</i>, 17<i>R</i>,19<i>R</i>)-14-Hydroxy-7,7,17-trimethyl-2,9,18-trioxo-3,10- dioxapentacyclo[14.2.1.0^1,13^.0^4,12^.0^8,12^]nonadec-19-yl acetate","","- C22 H28 O8 -","- C22 H28 O8 -","- C176 H224 O64 -","8","2","DN2250","Shi, Hao","(1<i>R</i>,4<i>S</i>,8<i>R</i>,12<i>S</i>,13<i>S</i>,14<i>R</i>,16<i>S</i>,17<i>R</i>,19<i>R</i>)-14-Hydroxy-7,7,17-trimethyl-2,9,18-trioxo-3,10-dioxapentacyclo[14.2.1.0^1,13^.0^4,12^.0^8,12^]nonadec-19-yl acetate","Acta Crystallographica Section E","2007","63","11","o4495","o4495","10.1107/S1600536807053317","","","0.71073","MoKα","","0.0693","0.0379","","","0.0787","0.0947","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215903","5.7476","0.0007","15.6207","0.0012","15.6735","0.0012","90","","90","","90","","1407.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 1-deoxy-1-(N^1^-thyminyl)-β-D-psicofuranoside","","- C12 H18 N2 O7 -","- C12 H18 N2 O7 -","- C48 H72 N8 O28 -","4","1","FJ2046","Roivainen, Jarkko; Reuter, Hans; Mikhailopulo, Igor A.; Eickmeier, Henning","Methyl 1-deoxy-1-(<i>N</i>^1^-thyminyl)-β-<small>D</small>-psicofuranoside","Acta Crystallographica Section E","2007","63","11","o4294","o4294","10.1107/S1600536807048866","","","0.71073","MoKα","","0.0488","0.0439","","","0.1274","0.1323","","","","","","1.052","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215906","12.0055","0.0011","13.5835","0.0013","25.027","0.002","90","","90","","90","","4081.3","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,4<i>S</i>,8<i>R</i>,12<i>S</i>,13<i>S</i>,14<i>R</i>,16<i>S</i>, 19<i>R</i>)-14-Hydroxy-7,7-dimethyl-17-methylene-2,9,18-trioxo-3,10- dioxapentacyclo[14.2.1.0^1,13^.0^4,12^.0^8,12^]nonadec-19-yl acetate","","- C22 H26 O8 -","- C22 H26 O8 -","- C176 H208 O64 -","8","2","FJ2053","Shi, Hao","(1<i>R</i>,4<i>S</i>,8<i>R</i>,12<i>S</i>,13<i>S</i>,14<i>R</i>,16<i>S</i>,19<i>R</i>)-14-Hydroxy-7,7-dimethyl-17-methylene-2,9,18-trioxo-3,10-dioxapentacyclo[14.2.1.0^1,13^.0^4,12^.0^8,12^]nonadec-19-yl acetate","Acta Crystallographica Section E","2007","63","11","o4439","o4439","10.1107/S1600536807052099","","","0.71073","MoKα","","0.0694","0.0512","","","0.1082","0.1153","","","","","","0.997","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215911","7.3388","0.0011","11.798","0.002","31.001","0.005","90","","90","","90","","2684.2","0.7","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-Benzylidenepropylidene)-4-bromoaniline","","- C16 H14 Br N -","- C16 H14 Br N -","- C128 H112 Br8 N8 -","8","2","FL2165","Khalaji, Aliakbar Dehno; Alexandra M. Z. Slawin; Woollins, J. Derek","<i>N</i>-(2-Benzylidenepropylidene)-4-bromoaniline","Acta Crystallographica Section E","2007","63","11","o4257","o4257","10.1107/S1600536807048222","","","0.71073","MoKα","","0.0566","0.0475","","","0.1021","0.1076","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215947","8.7567","0.0011","10.0467","0.0017","24.921","0.005","90","","90","","90","","2192.4","0.6","291","1","291","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-3-[(R)-2,4-Dimethylpent-4-enoyl]-4-isopropyl-5,5-diphenyl- 1,3-oxazolidin-2-one","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","HB2580","Tannert, Rene; Schürmann, Markus; Preut, Hans; Arndt, Hans-Dieter; Waldmann, Herbert","(<i>S</i>)-3-[(<i>R</i>)-2,4-Dimethylpent-4-enoyl]-4-isopropyl-5,5-diphenyl-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2007","63","11","o4381","o4381","10.1107/S1600536807050295","","","0.71073","MoKα","","0.1896","0.0317","","","0.0533","0.0857","","","","","","1.009","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215969","5.8826","0.0014","11.927","0.003","12.752","0.003","90","","90","","90","","894.7","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-Methyl citrate","methyl 3-carboxy-2-carboxymethyl-2-hydroxypropanoate","","- C7 H10 O7 -","- C7 H10 O7 -","- C28 H40 O28 -","4","1","HB2611","Li, Mingjing; Wang, Yong; Fu, Dexue; Liu, Xiuhua","6-Methyl citrate from <i>Dioscorea opposita</i> Thunb.","Acta Crystallographica Section E","2007","63","11","o4497","o4497","10.1107/S1600536807052828","","","0.71073","MoKα","","0.0291","0.0282","","","0.0715","0.0723","","","","","","1.141","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215974","9.3842","0.0006","11.9025","0.0007","18.6386","0.0013","90","","90","","90","","2081.8","0.2","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(11R)-13-(1-Naphthylmethylamino)-4,5-epoxy-11,13-dihydrocostunolide","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C104 H124 N4 O12 -","4","1","HG2301","Nasim, Shama; Parkin, Sean; Crooks, Peter A.","(11<i>R</i>)-13-(1-Naphthylmethylamino)-4,5-epoxy-11,13-dihydrocostunolide","Acta Crystallographica Section E","2007","63","11","o4274","o4274","10.1107/S1600536807046983","","","1.54178","CuKα","","0.0341","0.0336","","","0.08","0.0805","","","","","","1.112","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2215982","5.5438","0.0009","12.234","0.002","24.312","0.004","90","","90","","90","","1648.9","0.5","298","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,5-Anhydro-2,3,4,6-tetra-O-acetyl-D-lyxo-hex-1-enitol","","- C14 H18 O9 -","- C14 H18 O9 -","- C56 H72 O36 -","4","1","HG2312","Yan Zhang; Jiong Jia; Li-Na Pang; Jian-Wu Wang","1,5-Anhydro-2,3,4,6-tetra-<i>O</i>-acetyl-<small>D</small>-<i>lyxo</i>-hex-1-enitol","Acta Crystallographica Section E","2007","63","11","o4321","o4321","10.1107/S1600536807049379","","","0.71073","MoKα","","0.0408","0.039","","","0.103","0.1045","","","","","","1.073","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216002","11.127","0.002","11.325","0.002","13.155","0.003","90","","90","","90","","1657.7","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-[3-(Dimethylamino)propyl]-5H-dibenzo[a,d]cycloheptan-5-ol","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","HK2346","Li, Xiang; Chen, Jun; Wan, Dan; Han, Feng; Yao, Cheng","5-[3-(Dimethylamino)propyl]-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cycloheptan-5-ol","Acta Crystallographica Section E","2007","63","11","o4460","o4460","10.1107/S1600536807052026","","","0.71073","MoKα","","0.1223","0.0798","","","0.1708","0.2007","","","","","","1.006","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216034","9.5157","0.0007","13.1417","0.0009","15.2884","0.0011","90","","90","","90","","1911.9","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cis-(3-Hydroxycyclobutane-1,1-dicarboxylato-κ^2^O,O')bis(2-methylpyridine- κN)platinum(II)","","- C18 H20 N2 O5 Pt -","- C18 H20 N2 O5 Pt -","- C72 H80 N8 O20 Pt4 -","4","1","KP2138","Ming-Jin Xie; Yao Yu; Wei-Ping Liu; Shu-Qian Hou; Xizhu Chen","<i>cis</i>-(3-Hydroxycyclobutane-1,1-dicarboxylato-κ^2^<i>O</i>,<i>O</i>')bis(2-methylpyridine-κ<i>N</i>)platinum(II)","Acta Crystallographica Section E","2007","63","11","m2728","m2728","10.1107/S1600536807049513","","","0.71073","MoKα","","0.06","0.0529","","","0.1455","0.1505","","","","","","1.098","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2216037","6.8848","0.0003","8.3979","0.0003","26.9433","0.001","90","","90","","90","","1557.8","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-Phenylethylaminium (R)-4-chloromandelate","(R)-phenylethylaminium (R)-2-(4-chlorophenyl)-2-hydroxyacetate,","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C64 H72 Cl4 N4 O12 -","4","1","LH2509","He, Quan; Jennings, Michael C.; Rohani, Sohrab; Zhu, Jesse; Gomaa, Hassan","(<i>R</i>)-Phenylethylammonium (<i>R</i>)-4-chloromandelate","Acta Crystallographica Section E","2007","63","11","o4199","o4199","10.1107/S160053680704696X","","","0.71073","MoKα","","0.0609","0.0383","","","0.0844","0.0946","","","","","","1.027","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216039","10.6163","0.0013","10.9054","0.0013","17.542","0.002","90","","90","","90","","2030.9","0.4","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-1,1-Dimethyl-N-[(S)-1-phenyl-3-(phenylsulfonyl)but-3-enyl]ethane-2- sulfinamide","","- C20 H25 N O3 S2 -","- C20 H25 N O3 S2 -","- C80 H100 N4 O12 S8 -","4","1","LH2512","Dan Zhan; Zuo-An Xiao; Hua-Jun Liu; Xiao-Peng Shi","(<i>S</i>)-1,1-Dimethyl-<i>N</i>-[(<i>S</i>)-1-phenyl-3-(phenylsulfonyl)but-3-enyl]ethane-2-sulfinamide","Acta Crystallographica Section E","2007","63","11","o4221","o4221","10.1107/S160053680704737X","","","0.71073","MoKα","","0.1002","0.0639","","","0.1335","0.1602","","","","","","0.943","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216069","9.435","0.004","9.628","0.004","12.698","0.006","90","","90","","90","","1153.5","0.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl N-(3,6-dihydro-1,2-dioxin-4-ylmethyl)carbamate","","- C10 H17 N O4 -","- C10 H17 N O4 -","- C40 H68 N4 O16 -","4","1","NG2332","Sejer Pedersen, Daniel; Taylor, Dennis K.; Tiekink, Edward R. T.","<i>tert</i>-Butyl <i>N</i>-(3,6-dihydro-1,2-dioxin-4-ylmethyl)carbamate","Acta Crystallographica Section E","2007","63","11","o4301","o4301","10.1107/S1600536807049252","","","0.7107","MoKα","","0.039","0.038","","","0.099","0.1","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216070","7.9245","0.0002","21.7051","0.0005","22.8134","0.0005","90","","90","","90","","3923.95","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[tris(μ-di-4-pyridylamine-κ^2^N:N')tetrathiocyanato-κ^4^Ndicobalt(II)]","","- C34 H27 Co2 N13 S4 -","- C34 H27 Co2 N13 S4 -","- C136 H108 Co8 N52 S16 -","4","1","NG2333","Knapp, Warren R.; Martin, David P.; LaDuca, Robert L.","Poly[tris(μ-di-4-pyridylamine-κ^2^<i>N</i>:<i>N</i>')tetrathiocyanato-κ^4^<i>N</i>-dicobalt(II)]","Acta Crystallographica Section E","2007","63","11","m2745","m2745","10.1107/S160053680705057X","","","0.71073","MoKα","","0.1772","0.0662","","","0.1266","0.1682","","","","","","0.996","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216077","9.4682","0.0005","12.7534","0.0006","18.4602","0.0009","90","","90","","90","","2229.1","0.19","100","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl(cyclohexyldiphenylphosphine- κP)rhodium(I)","","- C24 H28 O3 P Rh -","- C24 H28 O3 P Rh -","- C96 H112 O12 P4 Rh4 -","4","1","NG2345","Brink, Alice; Roodt, Andreas; Visser, Hendrik G.","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl(cyclohexyldiphenylphosphine-κ<i>P</i>)rhodium(I)","Acta Crystallographica Section E","2007","63","11","m2831","m2832","10.1107/S1600536807052427","","","0.71073","MoKα","","","0.0241","","","","0.061","","","","","","1.056","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216083","6.1511","0.001","11.4414","0.0018","13.593","0.002","90","","90","","90","","956.6","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-(N-Methyl)-2-bromonaphthalene","6-Bromo-<i>N</i>-methylnaphthalen-2-amine","","- C11 H10 Br N -","- C11 H10 Br N -","- C44 H40 Br4 N4 -","4","1","OM2168","Garon, Christian N.; Milliard, Alex; Fontaine, Frédéric-Georges","6-Bromo-<i>N</i>-methylnaphthalen-2-amine","Acta Crystallographica Section E","2007","63","11","o4338","o4338","10.1107/S1600536807049951","","","0.71073","MoKα","","0.0265","0.0234","","","0.0583","0.0593","","","","","","1.078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216094","5.015","0.0005","11.4093","0.001","16.1736","0.0014","90","","90","","90","","925.42","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Bromo-5-methoxybenzohydrazide","","- C8 H9 Br N2 O2 -","- C8 H9 Br N2 O2 -","- C32 H36 Br4 N8 O8 -","4","1","PV2037","Sarojini, B. K.; Mustafa, K.; Narayana, B.; Yathirajan, H. S.; Bolte, Michael","2-Bromo-5-methoxybenzohydrazide","Acta Crystallographica Section E","2007","63","11","o4419","o4419","10.1107/S1600536807051367","","","0.71073","MoKα","","0.0496","0.0463","","","0.1139","0.116","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216113","6.3126","0.0002","11.2823","0.0004","22.8044","0.0007","90","","90","","90","","1624.14","0.09","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","<i>ent</i>-Kaur-16-en-19-al","<i>ent</i>-Kaur-16-en-19-al","","- C20 H30 O -","- C20 H30 O -","- C80 H120 O4 -","4","1","SI2036","Suchada Chantrapromma; Abdul Wahab Salae; Hoong-Kun Fun; Chanita Ponglimanont","<i>ent</i>-Kaur-16-en-19-al","Acta Crystallographica Section E","2007","63","11","o4329","o4329","10.1107/S1600536807049823","","","0.71073","MoKα","","0.0378","0.0354","","","0.0949","0.0967","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216132","9.8553","0.0014","13.1962","0.0019","18.825","0.003","90","","90","","90","","2448.2","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-1-(2-Hydroxy-5-methylphenyl)-N-[(S)-1-(2-methoxy-5-methylphenyl)-2- phenylethyl]butan-1-aminium chloride","","- C27 H34 Cl N O2 -","- C27 H34 Cl N O2 -","- C108 H136 Cl4 N4 O8 -","4","1","SJ2377","Guang-You Zhang; Ming Li; Wan-Hui Wang; Xun-Gang Gu","(<i>R</i>)-1-(2-Hydroxy-5-methylphenyl)-<i>N</i>-[(<i>S</i>)-1-(2-methoxy-5-methylphenyl)-2-phenylethyl]butan-1-aminium chloride","Acta Crystallographica Section E","2007","63","11","o4368","o4369","10.1107/S1600536807050714","","","0.71073","MoKα","","0.046","0.0393","","","0.0956","0.0997","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216139","9.9044","0.0009","18.8261","0.0017","23.238","0.002","90","","90","","90","","4333","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(<i>N</i>,<i>N</i>'-dibenzylideneethane-1,2-diamine)dichloro(2,2-dimethyl-α, α,α',α'-tetraphenyl-1,3-dioxolane-4,5-methanolato)titanium(IV) or Ti-TADDOLate","Dichlorido(<i>N</i>,<i>N</i>'-dibenzylideneethane-1,2-diamine-κ^2^N,N')[(2,2- dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanolato)-κ^2^O,O']titanium(IV)","","- C47 H44 Cl2 N2 O4 Ti -","- C47 H44 Cl2 N2 O4 Ti -","- C188 H176 Cl8 N8 O16 Ti4 -","4","1","SJ2384","Chen, Chien-An; Chiang, Liang-Ying; Gau, Han-Mou","Dichlorido(<i>N</i>,<i>N</i>'-dibenzylideneethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')[(2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanolato)-κ^2^<i>O</i>,<i>O</i>']titanium(IV)","Acta Crystallographica Section E","2007","63","11","m2842","m2843","10.1107/S1600536807052725","","","0.71073","MoKα","","0.0551","0.0356","","","0.078","0.0846","","","","","","0.951","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216156","10.1025","0.0005","14.3045","0.001","19.2547","0.0011","90","","90","","90","","2782.5","0.3","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[N,N'-Bis(3-aminopropyl)ethylendiamine]disaccharinatozinc(II) monohydrate","","- C22 H32 N6 O7 S2 Zn -","- C22 H32 N6 O7 S2 Zn -","- C88 H128 N24 O28 S8 Zn4 -","4","1","WM2151","Paşaoǧlu, Hümeyra; Kaştaş, Gökhan; Yeşilel, Okan Z.; Şahin, Onur; Büyükgüngör, Orhan","[<i>N</i>,<i>N</i>'-Bis(3-aminopropyl)ethylenediamine]disaccharinatozinc(II) monohydrate","Acta Crystallographica Section E","2007","63","11","m2710","m2711","10.1107/S1600536807049458","","","0.71069","MoKα","","0.1108","0.0678","","","0.1111","0.1221","","","","","","0.92","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216174","6.2419","0.0014","15.785","0.004","17.574","0.004","90","","90","","90","","1731.5","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl N3 O3 -","- C18 H18 Cl N3 O3 -","- C72 H72 Cl4 N12 O12 -","4","1","XU2339","Long He","(<i>S</i>)-Benzyl 2-[<i>N</i>-(5-chloropyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate","Acta Crystallographica Section E","2007","63","11","o4358","o4358","10.1107/S1600536807050441","","","0.71073","MoKα","","0.0365","0.0318","","","0.0835","0.0875","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216179","10.167","0.0004","10.4488","0.0004","22.9795","0.0011","90","","90","","90","","2441.18","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>,<i>E</i>)-[4-(Benzyloxy)-2-(cinnamoyloxy)- 4-oxobutyl]trimethylammonium chloride hydrochloride","","- C23 H29 Cl2 N O4 -","- C23 H29 Cl2 N O4 -","- C92 H116 Cl8 N4 O16 -","4","1","ZL2065","Xun Li; Xiao-Wei Gong; Jin-Pei Li; Wei-Xia Wang; Wen-Fang Xu","(<i>R</i>,<i>E</i>)-[4-(Benzyloxy)-2-(cinnamoyloxy)-4-oxobutyl]trimethylammonium chloride hydrochloride","Acta Crystallographica Section E","2007","63","11","o4239","o4240","10.1107/S1600536807047988","","","0.71073","MoKα","","0.0954","0.0491","","","","0.206","","","","","","0.813","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216185","4.99","0.003","12.12","0.004","21.176","0.01","90","","90","","90","","1280.7","1.1","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-Methyl 2-(2-iodobenzamido)propionate","","- C11 H12 I N O3 -","- C11 H12 I N O3 -","- C44 H48 I4 N4 O12 -","4","1","ZL2072","Koposov, Alexey Y.; Nemykin, Victor N.; Zhdankin, Victor V.","(<i>S</i>)-Methyl 2-(2-iodobenzamido)propionate","Acta Crystallographica Section E","2007","63","11","o4461","o4461","10.1107/S160053680705266X","","","0.71073","MoKα","","0.0416","0.0382","","0.0965","0.0943","0.0965","","","","","","0.9921","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216193","7.22","0.0014","11.961","0.002","12.936","0.003","90","","90","","90","","1117.1","0.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3'-(Methylsulfanyl)biphenyl-4-carbonitrile","","- C14 H11 N S -","- C14 H11 N S -","- C56 H44 N4 S4 -","4","1","AT2450","Zhi-Qiang Zhang; Zhi-Zhi Hu; Cui-Ping Wang; Jing-Bo Yan; Ren He","3'-(Methylsulfanyl)biphenyl-4-carbonitrile","Acta Crystallographica Section E","2007","63","12","o4581","o4581","10.1107/S1600536807054463","","","0.71073","MoKα","","0.048","0.0449","","","0.0948","0.0965","","","","","","1.091","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216194","7.1757","0.0006","7.2196","0.0006","18.7629","0.0016","90","","90","","90","","972.02","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(2-Pyridyl)piperazin-1-ium chloride","","- C9 H14 Cl N3 -","- C9 H14 Cl N3 -","- C36 H56 Cl4 N12 -","4","1","AT2451","Sadiq-ur-Rehman; Saeed, Sadia; Ali, Saqib; Shahzadi, Saira; Helliwell, Madeleine","4-(2-Pyridyl)piperazin-1-ium chloride","Acta Crystallographica Section E","2007","63","12","o4526","o4526","10.1107/S1600536807053470","","","0.71073","MoKα","","0.0322","0.0288","","","0.06","0.061","","","","","","0.958","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216235","8.6097","0.0014","13.75","0.002","21.113","0.003","90","","90","","90","","2499.4","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{6,6'-diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-\ 1κ^4^O^1^,O^1^',O^6^,O^6^':2κ^4^O^1^,N,N'O^1^'}trinitrato-1κ^6^O,O'-\ samarium(III)nickel(II)","","- C20 H22 N5 Ni O13 Sm -","- C20 H22 N5 Ni O13 Sm -","- C80 H88 N20 Ni4 O52 Sm4 -","4","1","AT2499","Hu, Rong-Hua; Sui, Yan; Chen, Li; Xie, Guo-Wei; Ai, Yan-Li","{μ-6,6'-Diethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}trinitratosamarium(III)nickel(II)","Acta Crystallographica Section E","2007","63","12","m3191","m3192","10.1107/S1600536807061508","","","0.71073","MoKα","","0.1089","0.045","","","0.0779","0.0841","","","","","","0.995","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2216244","11.0919","0.0015","13.587","0.002","17.329","0.003","90","","90","","90","","2611.6","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","verruculogen","10,10a-dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methylprop-1-en-1-yl)- 1,10,10a,14,14a,15b-hexahydro-5H,12<i>H</i>-3,4-dioxa-5a,11a,15a- triazacyclooct[lm]indeno[5,6-<i>b</i>]fluorene-11,15(2<i>H</i>,13H)-dione","","- C27 H33 N3 O7 -","- C27 H33 N3 O7 -","- C108 H132 N12 O28 -","4","1","BG2129","Fang, Yu-Chun; Wang, Wen-Liang; Sun, Wei; Gu, Qian-Qun; Zhu, Wei-Ming","10,10a-Dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methylprop-1-en-1-yl)-1,10,10a,14,14a,15b-hexahydro-5<i>H</i>,12<i>H</i>-3,4-dioxa-5a,11a,15a-triazacyclooct[<i>lm</i>]indeno[5,6-<i>b</i>]fluorene-11,15(2<i>H</i>,13<i>H</i>)-dione","Acta Crystallographica Section E","2007","63","12","o4788","o4788","10.1107/S160053680705828X","","","0.71073","MoKα","","0.0883","0.0382","","","0.0787","0.1024","","","","","","1.046","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216245","12.502","0.0009","13.049","0.0009","19.198","0.0013","90","","90","","90","","3131.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(4,4'-Dimethyl-2,2'-bipyridine-κ^2^N,N')bis[2-(2-pyridyl)phenyl- κ^2^N,C]iridium(III) hexafluoridophosphate","","- C34 H28 F6 Ir N4 P -","- C34 H28 F6 Ir N4 P -","- C136 H112 F24 Ir4 N16 P4 -","4","1","BG2132","Li-Ping Han; Bin Li; Jun Ying","(4,4'-Dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis[2-(2-pyridyl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]iridium(III) hexafluoridophosphate","Acta Crystallographica Section E","2007","63","12","m3133","m3133","10.1107/S1600536807059314","","","0.71069","MoKα","","0.0299","0.0277","","","0.0665","0.0672","","","","","","1.004","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216272","6.1943","0.0016","12.544","0.004","15.561","0.005","90","","90","","90","","1209.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(R)-2-methylpiperazinediium [μ~3~-chlorido-μ~2~-chlorido-dichloridodicopper(I)]]","","- C5 H14 Cl4 Cu2 N2 -","- C5 H14 Cl4 Cu2 N2 -","- C20 H56 Cl16 Cu8 N8 -","4","1","BT2555","Luo, Hui-Zhou; Ye, Heng-Yun","Poly[(<i>R</i>)-2-methylpiperazinediium [μ~3~-chlorido-μ~2~-chlorido-dichloridodicopper(I)]]","Acta Crystallographica Section E","2007","63","12","m2884","m2884","10.1107/S1600536807052774","","","0.71073","MoKα","","0.0475","0.0396","","","0.0866","0.0911","","","","","","1.057","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216276","6.6461","0.0001","11.2214","0.0002","17.0108","0.0004","90","","90","","90","","1268.64","0.04","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>R</i>)-1-(2-Bromo-4-hydroxy-3,5-dimethoxyphenyl)-2,3- dihydroxypropanol","","- C11 H15 Br O6 -","- C11 H15 Br O6 -","- C44 H60 Br4 O24 -","4","1","BT2560","Chand, Satish; Willis, Anthony C.","(1<i>R</i>,2<i>R</i>)-1-(2-Bromo-4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydroxypropanol","Acta Crystallographica Section E","2007","63","12","o4505","o4505","10.1107/S160053680705310X","","","0.71073","MoKα","","0.0332","0.0218","","0.0582","0.0506","0.0582","","","","","","0.9096","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216307","6.6489","0.0001","11.2217","0.0002","17.0148","0.0004","90","","90","","90","","1269.51","0.04","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>S</i>)-1-(2-Bromo-4-hydroxy-3,5-dimethoxyphenyl)propane- 1,2,3-triol","","- C11 H15 Br O6 -","- C11 H15 Br O6 -","- C44 H60 Br4 O24 -","4","1","BT2601","Chand, Satish; Willis, Anthony C.","(1<i>S</i>,2<i>S</i>)-1-(2-Bromo-4-hydroxy-3,5-dimethoxyphenyl)propane-1,2,3-triol","Acta Crystallographica Section E","2007","63","12","o4866","o4866","10.1107/S1600536807058035","","","0.71073","MoKα","","0.0285","0.022","","0.0319","0.0296","0.0319","","","","","","1.0198","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216317","9.998","0.0005","15.7885","0.0009","16.9696","0.0012","90","","90","","90","","2678.7","0.3","166","2","166","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","betamethasone-21-pentanoate methanol solvate","2-((8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy- 10,13,16-trimethyl-3-oxo- 6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H -cyclopenta[a]phenanthren- 17-yl)-2-oxoethyl pentanoate methanol solvate","","- C28 H41 F O7 -","- C28 H41 F O7 -","- C112 H164 F4 O28 -","4","1","BT2615","Suitchmezian, Viktor; Jeß, Inke; Näther, Christian","Betamethasone-21-pentanoate methanol solvate","Acta Crystallographica Section E","2007","63","12","o4839","o4839","10.1107/S1600536807059545","","","0.71073","MoKα","","0.0538","0.042","","","0.1071","0.1143","","","","","","1.025","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216366","8.2763","0.0008","8.4451","0.0009","18.795","0.002","90","","90","","90","","1313.7","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-4-Bromo-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","CI2507","Gül, Zarife Sibel; Aǧar, Ays̨en Alaman; Is̨ık, S̨amil","(<i>E</i>)-4-Bromo-2-[(2-hydroxy-5-methylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2007","63","12","o4564","o4564","10.1107/S1600536807055304","","","0.71073","MoKα","","0.088","0.0428","","","0.0734","0.0842","","","","","","0.909","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216367","7.1218","0.0002","10.2061","0.0002","32.9005","0.0007","90","","90","","90","","2391.4","0.1","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,5,8-Trimethyl-1,2-dihydronaphtho[2,1-b]furan-6,7-dione","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","2","CI2508","Sompong Boonsri; Suchada Chantrapromma; Hoong-Kun Fun; Chatchanok Karalai","1,5,8-Trimethyl-1,2-dihydronaphtho[2,1-<i>b</i>]furan-6,7-dione","Acta Crystallographica Section E","2007","63","12","o4901","o4901","10.1107/S1600536807060291","","","0.71073","MoKα","","0.1128","0.0883","","","0.2396","0.2589","","","","","","1.071","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216395","20.276","0.002","21.9129","0.0009","22.058","0.002","90","","90","","90","","9800.5","1.4","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","catena-Poly[neodymate(III)bis[μ-dimethyl(phenylsulfonyl)amidophosphato]-\ sodium(I)bis[μ-dimethyl(phenylsulfonyl)amidophosphato]]","","- C32 H44 N4 Na Nd O20 P4 S4 -","- C32 H44 N4 Na Nd O20 P4 S4 -","- C256 H352 N32 Na8 Nd8 O160 P32 S32 -","8","2","CV2351","Olesia V. Moroz; Svitlana V. Shishkina; Viktor A. Trush; Tetyana Yu. Sliva; Volodymyr M. Amirkhanov","<i>catena</i>-Poly[neodymate(III)bis[μ-dimethyl(phenylsulfonyl)amidophosphato]sodium(I)bis[μ-dimethyl(phenylsulfonyl)amidophosphato]]","Acta Crystallographica Section E","2007","63","12","m3175","m3176","10.1107/S1600536807060023","","","0.71073","MoKα","","0.1085","0.0535","","","0.1286","0.1518","","","","","","0.895","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216404","4.1213","0.0005","11.4948","0.0012","14.831","0.0014","90","","90","","90","","702.6","0.13","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ortho-Iodobenzaldehyde","2-Iodobenzaldehyde","","- C7 H5 I O -","- C7 H5 I O -","- C28 H20 I4 O4 -","4","1","CV2365","Betz, Richard; Klüfers, Peter","2-Iodobenzaldehyde","Acta Crystallographica Section E","2007","63","12","o4879","o4879","10.1107/S1600536807061272","","","0.71073","MoKα","","0.029","0.0247","","","0.0466","0.0486","","","","","","0.977","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216431","5.229","0.003","11.875","0.006","13.161","0.006","90","","90","","90","","817.2","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-hydroxy-4-methylcoumarin","7-hydroxy-4-methyl-2H-1-Benzopyran-2-one","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","1","EZ2107","Yang, Shu-Ping; Han, Li-Jun; Wang, Da-Qi; Xia, Hai-Tao","Redetermination of 7-hydroxy-4-methyl-2<i>H</i>-1-benzopyran-2-one","Acta Crystallographica Section E","2007","63","12","o4643","o4643","10.1107/S1600536807056085","","","0.71073","MoKα","","0.0496","0.0375","","","0.0868","0.0976","","","","","","1.077","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216443","7.5188","0.0006","9.7993","0.0013","30.876","0.003","90","","90","","90","","2274.9","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,4<i>S</i>,8<i>R</i>,9<i>S</i>,12<i>S</i>,13<i>S</i>,14<i>R</i>, 16<i>S</i>,19<i>R</i>)-19-acetoxy-14-hydroxy-7,7-dimethyl-17-methylene- 2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0^1,13^.0^4,12^.0^8,12^]nonadec-9-yl acetate","","- C24 H30 O9 -","- C24 H30 O9 -","- C96 H120 O36 -","4","1","FJ2072","Shi, Hao","(1<i>R</i>,4<i>S</i>,8<i>R</i>,9<i>S</i>,12<i>S</i>,13<i>S</i>,14<i>R</i>,16<i>S</i>,19<i>R</i>)-19-Acetoxy-14-hydroxy-7,7-dimethyl-17-methylene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0^1,13^.0^4,12^.0^8,12^]nonadec-9-yl acetate","Acta Crystallographica Section E","2007","63","12","o4800","o4800","10.1107/S1600536807059302","","","0.71073","MoKα","","0.0733","0.0442","","","0.06","0.0635","","","","","","1.157","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216460","10.704","0.0012","11.6806","0.0012","25.7328","0.0016","90","","90","","90","","3217.3","0.5","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-μ-1,4-Diphenyl-1,4-diphosphorinane-κ^2^P:P'- bis[pentacarbonylchromium(0)] deuterochloroform solvate","","- C27 H18 Cl3 Cr2 D O10 P2 -","- C27 H19 Cl3 Cr2 O10 P2 -","- C108 H76 Cl12 Cr8 O40 P8 -","4","1","GG3122","Manfred Fild; Krüger, Oana N.; Silaghi-Dumitrescu, Ioan; Thöne, Carsten; Andreas Weinkauf","<i>cis</i>-μ-1,4-Diphenyl-1,4-diphosphorinane-κ^2^<i>P</i>:<i>P</i>'-bis[pentacarbonylchromium(0)] deuterochloroform solvate","Acta Crystallographica Section E","2007","63","12","m3011","m3011","10.1107/S1600536807057182","","","0.71073","MoKα","","0.0752","0.0516","","","0.1075","0.1151","","","","","","1.055","","","","has coordinates","176787","2020-10-21","18:00:00",""
"2216517","6.563","0.002","18.668","0.004","23.93","0.007","90","","90","","90","","2931.9","1.4","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(1,5-Dimethylhexyl)-3a,5b,12a,14a-tetramethyl- 2,3,3a,4,5,5a,5b,11,12,13,14,14a-dodecahydro- 1H,12aH-cyclopentano[1,2]phenantreno[7,8-<i>b</i>]indole","","- C35 H51 N -","- C35 H51 N -","- C140 H204 N4 -","4","1","HG2320","López-Rodríguez, Matías; Mazoir, Noureddine; Daoubi, Mourad; Reina, Matías; Benharref, Ahmed","1-(1,5-Dimethylhexyl)-3a,5b,12a,14a-tetramethyl-2,3,3a,4,5,5a,5b,11,12,13,14,14a-dodecahydro-1<i>H</i>,12a<i>H</i>-cyclopenta[1,2]phenanthro[7,8-<i>b</i>]indole","Acta Crystallographica Section E","2007","63","12","o4911","o4911","10.1107/S1600536807053913","","","0.71073","MoKα","","0.0832","0.0746","","","0.1704","0.1757","","","","","","1.137","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216518","10.339","0.002","11.051","0.002","12.358","0.003","90","","90","","90","","1412","0.5","113","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Chloro-<i>N</i>,<i>N</i>-dicyclohexylacetamide","","- C14 H24 Cl N O -","- C14 H24 Cl N O -","- C56 H96 Cl4 N4 O4 -","4","1","HG2321","Liu, Jian-Fei; Tang, Xiao-Fang; Wen, Yong-Hong","2-Chloro-<i>N</i>,<i>N</i>-dicyclohexylacetamide","Acta Crystallographica Section E","2007","63","12","o4539","o4539","10.1107/S1600536807053366","","","0.71073","MoKα","","0.0472","0.0422","","","0.0919","0.0951","","","","","","1.016","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216547","10.643","0.0012","11.2669","0.0013","18.673","0.002","90","","90","","90","","2239.1","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diethyl 5,10-dihydro-6,9-dibromo-4,11-dioxo-cis-1H,3H,4H,11H-2-oxa-3a,4a, 10a,11a-tetraazabenz[f]indeno[2,1,7-ija]azulene-11b,11c-dicarboxylate","","- C20 H20 Br2 N4 O7 -","- C20 H20 Br2 N4 O7 -","- C80 H80 Br8 N16 O28 -","4","1","HK2354","Kunru Wang; Jing Li; Nengfang She","Diethyl 5,10-dihydro-6,9-dibromo-4,11-dioxo-<i>cis</i>-1H,3<i>H</i>,4<i>H</i>,11<i>H</i>-2-oxa-3a,4a,10a,11a-tetraazabenz[<i>f</i>]indeno[2,1,7-<i>ija</i>]azulene-11b,11c-dicarboxylate","Acta Crystallographica Section E","2007","63","12","o4541","o4541","10.1107/S1600536807054438","","","0.71073","MoKα","","0.0584","0.0423","","","0.1005","0.1059","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216569","18.718","0.004","9.924","0.002","9.696","0.002","90","","90","","90","","1801.1","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2,4-Trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-5-ium 3,5-dihydroxybenzoate","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","HK2381","Pallepogu Raghavaiah","2,2,4-Trimethyl-2,3-dihydro-1<i>H</i>-1,5-benzodiazepin-5-ium 3,5-dihydroxybenzoate","Acta Crystallographica Section E","2007","63","12","o4909","o4909","10.1107/S1600536807060424","","","0.71073","MoKα","","0.0378","0.0349","","","0.0824","0.0844","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216606","9.4559","0.0003","10.8048","0.0004","18.062","0.0006","90","","90","","90","","1845.38","0.11","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,4<i>R</i>,7<i>R</i>,8<i>R</i>,9<i>R</i>)-8-(Benzyloxy)-7- (benzyloxymethyl)-2,5,10-trioxatricyclo[5.2.1.0^4,8^]decan-9-ol","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","KP2133","Sharma, Pawan K.; Nielsen, Poul; Bond, Andrew D.","(1<i>R</i>,4<i>R</i>,7<i>R</i>,8<i>R</i>,9<i>R</i>)-8-Benzyloxy-7-benzyloxymethyl-2,5,10-trioxatricyclo[5.2.1.0^4,8^]decan-9-ol","Acta Crystallographica Section E","2007","63","12","o4537","o4537","10.1107/S1600536807053536","","","0.71073","MoKα","","0.0434","0.03","","","0.0607","0.0629","","","","","","0.965","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216625","6.778","0.005","8.634","0.006","15.704","0.01","90","","90","","90","","919","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Methyl-2H-1,2-benzothiazin-4(3H)-one 1,1-dioxide","","- C9 H9 N O3 S -","- C9 H9 N O3 S -","- C36 H36 N4 O12 S4 -","4","1","LH2541","Siddiqui, Waseeq Ahmad; Ahmad, Saeed; Siddiqui, Hamid Latif; Tariq, Muhammad Ilyas; Parvez, Masood","2-Methyl-2<i>H</i>-1,2-benzothiazin-4(3<i>H</i>)-one 1,1-dioxide","Acta Crystallographica Section E","2007","63","12","o4585","o4585","10.1107/S1600536807054736","","","0.71073","MoKα","","0.0724","0.0511","","","0.1133","0.1245","","","","","","1.088","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216648","6.7201","0.0016","12.069","0.003","12.88","0.003","90","","90","","90","","1044.6","0.4","168","2","168","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(5R)-5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methanoquinoxaline","","- C12 H16 N2 -","- C12 H16 N2 -","- C48 H64 N8 -","4","1","LW2042","Fitchett, Christopher M.; Steel, Peter J.","(5<i>R</i>)-5,9,9-Trimethyl-5,6,7,8-tetrahydro-5,8-methanoquinoxaline: a chiral Mills‒Nixon pyrazine","Acta Crystallographica Section E","2007","63","12","o4899","o4899","10.1107/S1600536807060710","","","0.71073","MoKα","","0.037","0.0345","","","0.0902","0.0924","","","","","","1.125","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216663","7.16","0.004","14.541","0.008","18.733","0.01","90","","90","","90","","1950.4","1.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β-Acetoxy-5-hydroxy-15β,16β-methylene-5β-androst-6-en-17-one","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","NC2066","Wei Zhou; Guang-Xiang Zhong; Wei-Xiao Hu; Chun-Nian Xia","3β-Acetoxy-5-hydroxy-15β,16β-methylene-5β-androst-6-en-17-one","Acta Crystallographica Section E","2007","63","12","o4653","o4653","10.1107/S1600536807056000","","","0.71073","MoKα","","0.0694","0.0587","","","0.1428","0.1504","","","","","","1.17","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216669","7.979","0.001","14.099","0.002","15.685","0.003","90","","90","","90","","1764.5","0.5","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-Bromo-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>- pyrazol-4-yl)benzenesulfonamide","","- C17 H16 Br N3 O3 S -","- C17 H16 Br N3 O3 S -","- C68 H64 Br4 N12 O12 S4 -","4","1","NC2074","Silva, Luiz Everson da; Sousa Jr, Paulo Teixeira de; Maciel, Eduardo Nunes; Foro, Sabine; Dall'Oglio, Evandro Luiz","4-Bromo-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)benzenesulfonamide","Acta Crystallographica Section E","2007","63","12","o4820","o4820","10.1107/S1600536807058758","","","1.5418","CuKα","","0.0493","0.047","","","0.1176","0.1199","","","","","","1.122","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216700","6.5631","0.0007","8.2864","0.0009","19.872","0.002","90","","90","","90","","1080.7","0.2","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,3S)-1,2,2-Trimethylcyclopentane-1,3-diammonium sulfate","","- C8 H20 N2 O4 S -","- C8 H20 N2 O4 S -","- C32 H80 N8 O16 S4 -","4","1","NG2395","Chu, Zhao-Lian; Fan, Ying; Huang, Wei; Liu, Jian-Lan","(1<i>R</i>,3<i>S</i>)-1,2,2-Trimethylcyclopentane-1,3-diammonium sulfate","Acta Crystallographica Section E","2007","63","12","o4927","o4927","10.1107/S1600536807061958","","","0.71073","MoKα","","0.0359","0.0353","","","0.091","0.0916","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216712","9.856","0.002","14.492","0.003","15.714","0.003","90","","90","","90","","2244.5","0.8","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,3,7-trideacetylkhivorin","14,15β:21,23-diepoxy-1α,3α,7α-trihydroxy-4,4,8-trimethyl-D-homo-24- nor-17-oxochola-20,22-diene-16-one","","- C26 H36 O7 -","- C26 H36 O7 -","- C104 H144 O28 -","4","1","PK2059","Huaping Zhang; Don VanDerveer; Xi Wang; Feng Chen; Michael J. Wargovich","1,3,7-Trideacetylkhivorin","Acta Crystallographica Section E","2007","63","12","o4599","o4599","10.1107/S1600536807055110","","","0.71073","MoKα","","0.0387","0.0366","","","0.0912","0.0944","","","","","","1.071","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216721","6.60966","0.00014","17.0902","0.0004","20.1206","0.0005","90","","90","","90","","2272.83","0.09","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(1<i>S</i>,4<i>S</i>,6<i>R</i>,8<i>R</i>)-[11,11-Dimethyl-5-(4-\ tolylsulfonyl)-3-oxa-5-azatricyclo[6.2.1.0^1,6^]undec-4-yl](phenyl)methanone","","- C25 H29 N O4 S -","- C25 H29 N O4 S -","- C100 H116 N4 O16 S4 -","4","1","PV2042","Kwang-Youn Ko; Hoseop Yun","({-})-(1<i>S</i>,4<i>S</i>,6<i>R</i>,8<i>R</i>)-[11,11-Dimethyl-5-(4-tolylsulfonyl)-3-oxa-5-azatricyclo[6.2.1.0^1,6^]undec-4-yl](phenyl)methanone","Acta Crystallographica Section E","2007","63","12","o4712","o4712","10.1107/S1600536807056917","","","0.71073","MoKα","","","0.0317","","","","0.0907","","","","","","1.072","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216722","7.2781","0.0002","9.5338","0.0002","20.4017","0.0005","90","","90","","90","","1415.63","0.06","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3-Diacetylamino-2-methoxy-5-methylphenyl)acetamide","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C56 H72 N8 O16 -","4","1","PV2043","Polson, Matthew I. J.; Steel, Peter J.","<i>N</i>-(3-Diacetylamino-2-methoxy-5-methylphenyl)acetamide","Acta Crystallographica Section E","2007","63","12","o4796","o4796","10.1107/S1600536807058308","","","0.71073","MoKα","","0.0264","0.0241","","","0.0613","0.063","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216727","9.0814","0.0008","11.6889","0.001","22.685","0.002","90","","90","","90","","2408","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","fpg","Boc-Phe-D-Pro-Gly-OMe monohydrate","","- C22 H33 N3 O7 -","- C22 H33 N3 O7 -","- C88 H132 N12 O28 -","4","1","RK2053","Doi, Mitsunobu; Ichimiya, Yuko; Asano, Akiko","β-Turn structure of a tripeptide <i>N</i>-(<i>tert</i>-butoxycarbonyl)-Phe-<small>D</small>-Pro-Gly methyl ester monohydrate","Acta Crystallographica Section E","2007","63","12","o4691","o4691","10.1107/S1600536807056693","","","0.71073","MoKα","","0.0634","0.0595","","","0.1738","0.1769","","","","","","1.107","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216791","7.1442","0.0014","11.147","0.002","14.726","0.003","90","","90","","90","","1172.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-(Phenylhydrazonomethyl)benzonitrile","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","SJ2419","Wang, Guo-Xi; Ye, Heng-Yun","4-(Phenylhydrazonomethyl)benzonitrile","Acta Crystallographica Section E","2007","63","12","o4750","o4750","10.1107/S1600536807057984","","","0.71073","MoKα","","0.1033","0.0578","","","0.141","0.1702","","","","","","1.086","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216797","12.2614","0.0015","15.6668","0.0018","18.697","0.002","90","","90","","90","","3591.6","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Guidongnin A","(3aR,4R,4'aS,5'R,7'S,7aR,9'R,9'aS)-5',9'-dihydroxy-7a-methyl-8'- methyleneperhydrospiro[isobenzofuran-4(1H),4'(3'H)- [1H-7,9a]methanocyclohepta[c]pyran]-1',3(3aH)-dione","","- C20 H26 O6 -","- C20 H26 O6 -","- C160 H208 O48 -","8","2","SJ2433","Shi, Hao","Guidongnin A, a natural diterpenoid","Acta Crystallographica Section E","2007","63","12","o4890","o4890","10.1107/S1600536807060965","","","0.71073","MoKα","","0.1301","0.0776","","","0.2127","0.2368","","","","","","1.099","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216801","6.7544","0.0007","8.224","0.0009","11.404","0.0013","90","","90","","90","","633.47","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,5-Dihydroxybenzaldehyde","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","SU2016","Kretz, Tonia; Lerner, Hans-Wolfram; Bolte, Michael","2,5-Dihydroxybenzaldehyde","Acta Crystallographica Section E","2007","63","12","o4673","o4673","10.1107/S160053680705595X","","","0.71073","MoKα","","0.0332","0.0315","","","0.0828","0.0838","","","","","","1.107","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216836","11.964","0.008","12.647","0.005","12.793","0.004","90","","90","","90","","1935.7","1.6","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","15β,16β-Methylene-3-oxo-17α-pregna-4-ene-21,17-carbolactone","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","XU2349","Wei Zhou; Wei-Xiao Hu; Chun-Nian Xia","15β,16β-Methylene-3-oxo-17α-pregn-4-ene-21,17-carbolactone","Acta Crystallographica Section E","2007","63","12","o4584","o4584","10.1107/S1600536807054773","","","0.71073","MoKα","","0.0936","0.0374","","","0.0903","0.1094","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216840","13.418","0.006","14.989","0.004","18.126","0.005","90","","90","","90","","3646","2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(2S*,3S*,4R*,5R*,7R*,9S*,11S*,15R*)-5,15-diacetoxy-14- oxolathyra-6(17),12(E)-diene-3,7-diyl dibenzoate","","","- C38 H42 O9 -","- C38 H42 O9 -","- C152 H168 O36 -","4","1","XU2355","Wei Jiao; Zhi-hua Mao; Run-hua Lu","<i>Euphorbia</i> Factor <i>L</i>~2~: an ester of 7-hydroxylathyrol","Acta Crystallographica Section E","2007","63","12","o4613","o4613","10.1107/S1600536807055900","","","0.71073","MoKα","","0.1918","0.0541","","","0.131","0.1714","","","","","","0.91","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216848","7.3604","0.0012","9.4157","0.0014","28.6294","0.0019","90","","90","","90","","1984.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2'-Dimethylbutane-1,4-diyldipyridinium dibromide dihydrate","","- C16 H26 Br2 N2 O2 -","- C16 H26 Br2 N2 O2 -","- C64 H104 Br8 N8 O8 -","4","1","XU2371","Xin Xiao; Ming-Qiang Wu; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao","2,2'-Dimethylbutane-1,4-diyldipyridinium dibromide dihydrate","Acta Crystallographica Section E","2007","63","12","o4897","o4897","10.1107/S1600536807060448","","","0.71073","MoKα","","0.0414","0.0327","","","0.0769","0.0794","","","","","","1.078","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216851","8.2308","0.0008","13.558","0.0012","23.2279","0.0018","90","","90","","90","","2592.1","0.4","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9α,11-Epoxy-7α-(methoxycarbonyl)-3-oxo-17α-pregn-4-ene-21,17-carbolactone dioxane solvate","","- C28 H38 O8 -","- C28 H38 O8 -","- C112 H152 O32 -","4","1","XU2379","Lu-Zhuang Xu; Qian Yang; Jing-Jing Nie","Eplerenone 1,4-dioxane solvate","Acta Crystallographica Section E","2007","63","12","o4898","o4898","10.1107/S1600536807060199","","","0.71073","MoKα","","0.0967","0.0653","","","0.1826","0.2086","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216860","6.7998","0.0013","7.9208","0.0016","8.5874","0.0018","90","","90","","90","","462.52","0.16","286","2","286","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[^2^H~3~]Sarcosine","methyl[^2^H~3~]ammoniobenzoate","","- C3 H4 D3 N O2 -","- C3 H4 D3 N O2 -","- C12 H16 D12 N4 O8 -","4","1","ZL2085","Trzebiatowska-Gusowska, Monika; Gagor, Anna","[^2^H~3~]Sarcosine","Acta Crystallographica Section E","2007","63","12","o4694","o4694","10.1107/S1600536807057443","","","0.71073","MoKα","","0.0388","0.0277","","","0.0686","0.0745","","","","","","0.96","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2216888","7.3235","0.0006","11.944","0.0011","19.3583","0.0018","90","","90","","90","","1693.3","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-1-(2-Bromophenyl)ethanol","","- C8 H9 Br O -","- C8 H9 Br O -","- C64 H72 Br8 O8 -","8","2","BG2123","Staples, Richard J.; Jonathan W. Medley","(<i>S</i>)-(+)-1-(2-Bromophenyl)ethanol","Acta Crystallographica Section E","2008","64","1","o301","o301","10.1107/S1600536807059260","","","0.71073","MoKα","","0.0459","0.0331","","","0.0749","0.0796","","","","","","1.033","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216893","3.8855","0.0007","10.5191","0.0005","15.9058","0.0009","90","","90","","90","","650.1","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Nicotinohydrazide","Pyridine-3-carbohydrazide","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C24 H28 N12 O4 -","4","1","BH2145","Priebe, Jacks P.; Mello, Renata S.; Nome, Faruk; Bortoluzzi, Adailton J.","Nicotinohydrazide","Acta Crystallographica Section E","2008","64","1","o302","o303","10.1107/S160053680706655X","","","0.71073","MoKα","","0.049","0.031","","","0.078","0.087","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216894","3.8727","0.001","10.481","0.002","15.855","0.002","90","","90","","90","","643.6","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Nicotinohydrazide","pyridine-3-carbohydrazide","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C24 H28 N12 O4 -","4","1","BH2149","Portalone, Gustavo; Marcello Colapietro","Nicotinohydrazide","Acta Crystallographica Section E","2008","64","1","o304","o304","10.1107/S1600536807066561","","","0.71069","MoKα","","0.0924","0.0422","","","0.0802","0.1305","","","","","","1.186","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216909","9.33","0.006","12.139","0.008","15.918","0.011","90","","90","","90","","1803","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichlorido[1-(1-naphthylmethyl)-3-(2-pyridyl)-1<i>H</i>-pyrazole- κ^2^<i>N</i>^2^,<i>N</i>^3^]palladium(II)","","- C19 H15 Cl2 N3 Pd -","- C19 H15 Cl2 N3 Pd -","- C76 H60 Cl8 N12 Pd4 -","4","1","BI2262","Chun-Sen Liu; Guang-Hui Sun; Liang-Qi Guo","Dichlorido[1-(1-naphthylmethyl)-3-(2-pyridyl)-1<i>H</i>-pyrazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]palladium(II)","Acta Crystallographica Section E","2008","64","1","m69","m69","10.1107/S1600536807062927","","","0.71073","MoKα","","0.0315","0.0241","","","0.0509","0.0542","","","","","","1.031","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216953","12.5298","0.0015","16.361","0.002","19.342","0.002","90","","90","","90","","3965.1","0.8","149","2","149","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Rubidium(I) monensinate dihydrate","","- C36 H65 O13 Rb -","- C36 H65 O13 Rb -","- C144 H260 O52 Rb4 -","4","1","BT2658","Sema Öztürk Yıldırım; Vickie McKee; Fatim-Zahra Khardli; Mostafa Mimouni; Taibi Ben Hadda","Rubidium(I) monensinate dihydrate","Acta Crystallographica Section E","2008","64","1","m154","m155","10.1107/S1600536807065221","","","0.71069","MoKα","","0.0449","0.036","","","0.0829","0.0871","","","","","","1.014","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216958","7.6204","0.0008","9.8939","0.001","18.099","0.002","90","","90","","90","","1364.6","0.2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Hydroxy-2,2,6,6-tetramethylpiperidinium trifluoroacetate","","- C11 H20 F3 N O3 -","- C11 H20 F3 N O3 -","- C44 H80 F12 N4 O12 -","4","1","BT2664","Yan-Xue Chen; Mei-Ling Han; Yi Deng; Jin-Hui Yang","4-Hydroxy-2,2,6,6-tetramethylpiperidinium trifluoroacetate","Acta Crystallographica Section E","2008","64","1","o275","o275","10.1107/S1600536807066305","","","0.7107","MoKα","","0.0589","0.0567","","","0.1307","0.1318","","","","","","1.225","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216962","7.65","0.0015","13.764","0.003","16.42","0.003","90","","90","","90","","1728.9","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[(S)-1-(3,5-Dimethyl-2-hydroxyphenyl)ethyl]-N-[(R)-2-hydroxy-1- phenylethyl]ammonium chloride","","- C18 H24 Cl N O2 -","- C18 H24 Cl N O2 -","- C72 H96 Cl4 N4 O8 -","4","1","BV2080","Zhang, Guangyou; Gu, Xungang; Wang, Xiangbo; Wang, Wanhui; Li, Shuchun","<i>N</i>-[(<i>S</i>)-1-(3,5-Dimethyl-2-hydroxyphenyl)ethyl]-<i>N</i>-[(<i>R</i>)-2-hydroxy-1-phenylethyl]ammonium chloride","Acta Crystallographica Section E","2008","64","1","o240","o241","10.1107/S1600536807063106","","","0.71073","MoKα","","0.0516","0.0421","","","0.0921","0.097","","","","","","1.02","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2216986","5.6238","0.0006","15.3174","0.0016","17.4404","0.0016","90","","90","","90","","1502.4","0.3","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[aquadipyridinecopper(II)]-μ-fumarato]","","- C14 H14 Cu N2 O5 -","- C14 H14 Cu N2 O5 -","- C56 H56 Cu4 N8 O20 -","4","1","CI2529","Xie, Dong; Ye, Junwei; Lin, Yuan; Ning, Guiling","<i>catena</i>-Poly[[aquadipyridinecopper(II)]-μ-fumarato]","Acta Crystallographica Section E","2008","64","1","m91","m91","10.1107/S1600536807063738","","","0.71073","MoKα","","0.0675","0.0457","","","0.1049","0.1164","","","","","","1.025","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2216987","10.4924","0.0008","12.9049","0.001","13.3936","0.001","90","","90","","90","","1813.5","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cinchonidinium chloride monohydrate","","- C19 H25 Cl N2 O2 -","- C19 H25 Cl N2 O2 -","- C76 H100 Cl4 N8 O8 -","4","1","CI2530","Shi-Feng Ni; Lin Lin Ma; Gui Fang Zhao; Wen Ji Sun; Zhi Min Jin","Cinchonidinium chloride monohydrate","Acta Crystallographica Section E","2008","64","1","o193","o193","10.1107/S160053680706343X","","","0.71073","MoKα","","0.0715","0.0686","","","0.177","0.1793","","","","","","1.18","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216989","7.234","0.0004","11.761","0.0005","18.913","0.001","90","","90","","90","","1609.1","0.14","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[[(μ~2~-2-amino-4,5-dimethybenzenesulfonato-κ^2^N:O)(μ~2~-2- methylpyrazine-κ^2^N:N')silver(I)] monohydrate]","","- C13 H18 Ag N3 O4 S -","- C13 H16 Ag N3 O4 S -","- C52 H64 Ag4 N12 O16 S4 -","4","1","CI2532","Dong, Xian-Wu; Li, Yu-Jie","Poly[[(μ~2~-2-amino-4,5-dimethybenzenesulfonato-κ^2^<i>N</i>:<i>O</i>)(μ~2~-2-methylpyrazine-κ^2^<i>N</i>:<i>N</i>')silver(I)] monohydrate]","Acta Crystallographica Section E","2008","64","1","m80","m80","10.1107/S1600536807063672","","","0.71069","MoKα","","0.0411","0.0324","","","0.0827","0.0845","","","","","","1.017","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216990","9.805","0.0003","18.8687","0.0006","19.9641","0.0008","90","","90","","90","","3693.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5,11a,15b-cis-3-methyl-1-phenylpyrazolo[3,2-c]-5,11a,12,13,14,15b- octahydro-1H-pyrano [2,3,4-kl]xanthene","cis-3-Methyl-1-phenyl-8a,9,10,11,12,12a,12b-hexahydro-\ 1H,3bH-pyrazolo[3,4:2',3']pyrano[4',5',6'-kl]xanthene","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C184 H176 N16 O16 -","8","2","CI2533","E. Theboral Sugi Kamala; S. Nirmala; L. Sudha; E. Ramesh; R. Raghunathan","<i>cis</i>-3-Methyl-1-phenyl-8a,9,10,11,12,12a,12b-hexahydro-1<i>H</i>,3b<i>H</i>-pyrazolo[3,4:2',3']pyrano[4',5',6'-<i>kl</i>]xanthene","Acta Crystallographica Section E","2008","64","1","o245","o246","10.1107/S1600536807065348","","","0.71073","MoKα","","0.0687","0.04","","","0.0922","0.1038","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2216993","9.0622","0.0009","18.0167","0.0018","25.628","0.002","90","","90","","90","","4184.3","0.7","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>‒<i>cis</i>‒<i>trans</i>-Bis(acetonitrile- κN)dichloridobis(triphenylphosphine-κP)ruthenium(II) acetonitrile disolvate","","- C44 H42 Cl2 N4 P2 Ru -","- C44 H42 Cl2 N4 P2 Ru -","- C176 H168 Cl8 N16 P8 Ru4 -","4","1","CI2537","Al-Far, Ahmad M.; Slaughter, LeGrande M.","<i>cis</i>-<i>cis</i>-<i>trans</i>-Bis(acetonitrile-κ<i>N</i>)dichloridobis(triphenylphosphine-κ<i>P</i>)ruthenium(II) acetonitrile disolvate","Acta Crystallographica Section E","2008","64","1","m184","m184","10.1107/S1600536807065968","","","0.71073","MoKα","","0.0459","0.0352","","","0.068","0.0721","","","","","","1.022","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2216995","10.589","0.005","14.582","0.007","17.443","0.008","90","","90","","90","","2693","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,4R,5R)-1,3,4-Triphenyl-7-[(<i>R</i>)-1-phenylethyl]-2-oxa-3,7-\ diazaspiro[4.5]decan-10-one","","- C33 H32 N2 O2 -","- C33 H32 N2 O2 -","- C132 H128 N8 O8 -","4","1","CI2540","A. Malathy; Kumar, R. Suresh; Perumal, S.; J. Suresh; Nilantha Lakshman","(1<i>R</i>,4<i>R</i>,5<i>R</i>)-1,3,4-Triphenyl-7-[(<i>R</i>)-1-phenylethyl]-2-oxa-3,7-diazaspiro[4.5]decan-10-one","Acta Crystallographica Section E","2008","64","1","o343","o343","10.1107/S1600536807067256","","","0.71073","MoKα","","0.0974","0.0646","","","0.1079","0.1176","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217008","7.845","0.001","13.1365","0.0017","16.178","0.002","90","","90","","90","","1667.2","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","macrocalyxoformin B","(1<i>S*</i>,2<i>S*</i>,5<i>R*</i>,8<i>S*</i>,11<i>S*</i>,14<i>R*</i>, 17<i>S*</i>,20<i>R*</i>)-14-Methyl-6-methylene-10,16,18- trioxahexacyclo[12.5.1.1^5,8^.0^1,11^.0^2,8^.0^17,20^]henicosane-7,9-dione","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","DN2278","Shi, Hao","(1<i>S*</i>,2<i>S*</i>,5<i>R*</i>,8<i>S*</i>,11<i>S*</i>,14<i>R*</i>,17<i>S*</i>,20<i>R*</i>)-14-Methyl-6-methylene-10,16,18-trioxahexacyclo[12.5.1.1^5,8^.0^1,11^.0^2,8^.0^17,20^]henicosane-7,9-dione: natural diterpenoid macrocalyxoformin B","Acta Crystallographica Section E","2008","64","1","o79","o79","10.1107/S1600536807060692","","","0.71073","MoKα","","0.0934","0.0623","","","0.1421","0.1586","","","","","","0.993","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217037","12.2339","0.0014","12.8744","0.0015","12.8783","0.0015","90","","90","","90","","2028.4","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>R</i>,4aS,6aR,11aS,11bS)-Methyl 2-acetoxy-11b-hydroxy-3,7-dimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b- dodecahydrophenanthro[3,2-<i>b</i>]furan-3-carboxylate","","- C22 H30 O6 -","- C22 H30 O6 -","- C88 H120 O24 -","4","1","FJ2076","Prathap, S. J.; Rajanna, L. N.; Sheetal, C.; Seetharam, Y. N.; T. N. Guru Row","(2<i>R*</i>,3<i>R*</i>,4a<i>S*</i>,6a<i>R*</i>,11a<i>S*</i>,11b<i>S*</i>)-Methyl 2-acetoxy-11b-hydroxy-3,7-dimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-<i>b</i>]furan-3-carboxylate","Acta Crystallographica Section E","2008","64","1","o9","o9","10.1107/S1600536807061934","","","0.71073","MoKα","","0.049","0.0397","","","0.0901","0.0937","","","","","","1.076","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217040","5.591","0.0006","14.1309","0.0014","18.8062","0.0019","90","","90","","90","","1485.8","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dihydroartemisinin","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","FJ2084","Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H. S.; Narayana, B.; Sreevidya, T. V.","Redetermination of dihydroartemisinin at 103(2) K","Acta Crystallographica Section E","2008","64","1","o89","o90","10.1107/S1600536807063180","","","0.71073","MoKα","","0.049","0.0377","","","0.0891","0.1002","","","","","","1.056","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217071","6.0069","0.0003","11.6812","0.0006","18.3798","0.0009","90","","90","","90","","1289.67","0.11","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-Chloroquinolin-3-ylmethylene)aniline","","- C16 H11 Cl N2 -","- C16 H11 Cl N2 -","- C64 H44 Cl4 N8 -","4","1","GW2018","Kalkhambkar, Rajesh G.; Kulkarni, Geeta M.; Hwang, Wen-Shu; Lee, Chen-Shiang","<i>N</i>-(2-Chloroquinolin-3-ylmethylene)aniline","Acta Crystallographica Section E","2008","64","1","o258","o258","10.1107/S1600536807064690","","","0.71073","MoKα","","0.0296","0.0242","","","0.0585","0.0602","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217083","4.8026","0.0004","14.5781","0.0012","33.261","0.003","90","","90","","90","","2328.7","0.3","291","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","L-Nebiviololinium chloride dihydrate","(+)-(R,S,S,S)-bis[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-\ hydroxyethyl]ammonium chloride dihydrate","","- C22 H30 Cl F2 N O6 -","- C22 H30 Cl F2 N O6 -","- C88 H120 Cl4 F8 N4 O24 -","4","1","HB2656","Gisbert Tuchalski; Andre Hänsicke; Günther Reck; Franziska Emmerling","<small>L</small>-Nebiviololinium chloride dihydrate","Acta Crystallographica Section E","2008","64","1","o54","o54","10.1107/S1600536807061831","","","0.71069","MoKα","","0.0539","0.0406","","","0.0983","0.1131","","","","","","1.053","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217096","10.542","0.0002","11.7946","0.0002","13.2997","0.0003","90","","90","","90","","1653.67","0.06","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,4<i>R</i>,7<i>S</i>)-1,7-Dimethyl-7- (phenylsulfonylmethyl)spiro[bicyclo[2.2.1]heptane-2,2'-1,3-dioxolane]","","- C18 H24 O4 S -","- C18 H24 O4 S -","- C72 H96 O16 S4 -","4","1","HG2344","Ya-Wen Wang; Yu Peng","(1<i>R</i>,4<i>R</i>,7<i>S</i>)-1,7-Dimethyl-7-(phenylsulfonylmethyl)spiro[bicyclo[2.2.1]heptane-2,2'-1,3-dioxolane]","Acta Crystallographica Section E","2008","64","1","o57","o57","10.1107/S1600536807058084","","","0.71073","MoKα","","0.0477","0.0364","","","0.076","0.0828","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217103","9.9794","0.0002","11.5763","0.0003","16.072","0.0004","90","","90","","90","","1856.71","0.08","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Di-tert-butyl 2-benzoylhydrazine-1,1-dicarboxylate","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C68 H96 N8 O20 -","4","1","HJ2004","Didierjean, Claude; Brosse, Nicolas; Bodiguel, Jacques; Jamart-Grégoire, Brigitte","Di-<i>tert</i>-butyl 2-benzoylhydrazine-1,1-dicarboxylate","Acta Crystallographica Section E","2008","64","1","o205","o205","10.1107/S160053680706391X","","","0.7107","MoKα","","","0.0384","","","","0.1092","","","","","","1.032","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217127","8.0795","0.0001","13.7163","0.0003","23.0913","0.0005","90","","90","","90","","2559","0.08","183","2","183","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[(1-Azulenyl)methanethiolato-κS](1,4,8,12-tetraazacyclopentadecane-\ κ^4^N)zinc(II) perchlorate","","- C22 H35 Cl N4 O4 S Zn -","- C22 H35 Cl N4 O4 S Zn -","- C88 H140 Cl4 N16 O16 S4 Zn4 -","4","1","HY2083","Görls, Helmar; Johannes Notni; Anders, Ernst","[(1-Azulenyl)methanethiolato-κ<i>S</i>](1,4,8,12-tetraazacyclopentadecane-κ^4^<i>N</i>)zinc(II) perchlorate","Acta Crystallographica Section E","2008","64","1","m203","m203","10.1107/S1600536807047514","","","0.71073","MoKα","","0.0615","0.0493","","","0.1291","0.1376","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217129","6.779","0.001","13.997","0.003","18.076","0.004","90","","90","","90","","1715.2","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Aqua(3-methylisoquinoline-κN)silver(I) 4-aminobenzenesulfonate","","- C16 H17 Ag N2 O4 S -","- C16 H16 Ag N2 O4 S -","- C64 H64 Ag4 N8 O16 S4 -","4","1","HY2101","Yong-Mei Zhang; Dong-Yan Hou; Tie-Chun Li; Guang Xin","Aqua(3-methylisoquinoline-κ<i>N</i>)silver(I) 4-aminobenzenesulfonate","Acta Crystallographica Section E","2008","64","1","m224","m224","10.1107/S1600536807061983","","","0.71073","MoKα","","0.0836","0.0459","","","0.0907","0.1168","","","","","","0.972","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217147","8.6399","0.0004","13.401","0.007","16.0445","0.0008","90","","90","","90","","1857.7","1","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dipropyl 4,8-dioxo-1H,5H-2,6-dioxa-3a,4a,7a,8a- tetraazacyclopenta[def]fluorene-8b,8c-dicarboxylate","","- C16 H22 N4 O8 -","- C16 H22 N4 O8 -","- C64 H88 N16 O32 -","4","1","IS2262","Shuai Wang; Yan Hu; Meng Gao; Zi-Hua Wang","Dipropyl 4,8-dioxo-1<i>H</i>,5<i>H</i>-2,6-dioxa-3a,4a,7a,8a-tetraazacyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate","Acta Crystallographica Section E","2008","64","1","o265","o265","10.1107/S1600536807065853","","","0.71073","MoKα","","0.0599","0.0497","","","0.1179","0.1227","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2217170","9.2805","0.0002","11.3538","0.0002","19.2493","0.0004","90","","90","","90","","2028.28","0.07","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-<i>O</i>-Benzhydryl-3,4-(S)-<i>O</i>-benzylidene-d-lyxono-1,4-lactone","","- C25 H22 O5 -","- C25 H22 O5 -","- C100 H88 O20 -","4","1","LH2567","Jenkinson, Sarah F.; Rule, Sebastian D.; Booth, Kathrine V.; Fleet, George W. J.; Watkin, David J.; Petursson, Sigthor","2-<i>O</i>-Benzhydryl-3,4-(<i>S</i>)-<i>O</i>-benzylidene-<small>D</small>-lyxono-1,4-lactone","Acta Crystallographica Section E","2008","64","1","o26","o26","10.1107/S1600536807059739","","","0.71073","MoKα","","0.042","0.0314","","0.0768","0.0732","0.0768","","","","","","0.9649","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217190","8.553","0.0017","10.543","0.002","21.769","0.004","90","","90","","90","","1963","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","cis-Dichlorido(3-chloro-2-methyliminophenyl-κ^2^C^1^,N)-trans- bis(trimethylphosphine-κP)cobalt(III)","","- C14 H25 Cl3 Co N P2 -","- C14 H25 Cl3 Co N P2 -","- C56 H100 Cl12 Co4 N4 P8 -","4","1","LN2014","Chen, Yue; Zhou, Jin; Li, Xiaoyan","<i>cis</i>-Dichlorido(3-chloro-2-methyliminophenyl-κ^2^<i>C</i>^1^,<i>N</i>)-<i>trans</i>-bis(trimethylphosphine-κ<i>P</i>)cobalt(III)","Acta Crystallographica Section E","2008","64","1","m210","m210","10.1107/S1600536807062654","","","0.71073","MoKα","","0.0248","0.0246","","","0.0656","0.0658","","","","","","1.065","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217206","8.9114","0.0018","15.105","0.003","36.493","0.007","90","","90","","90","","4912.2","1.7","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis(tetramethylammonium) tetrachlorozincate(II)","","- C8 H24 Cl4 N2 Zn -","- C8 H24 Cl4 N2 Zn -","- C96 H288 Cl48 N24 Zn12 -","12","3","MG2041","Curtiss, Ashley B. S.; Musie, Ghezai T.; Powell, Douglas R.","Bis(tetramethylammonium) tetrachloridozincate(II), phase VI","Acta Crystallographica Section E","2008","64","1","m183","m183","10.1107/S1600536807065828","","","0.71073","MoKα","","0.029","0.026","","","0.054","0.055","","","","","","1","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217246","9.5246","0.0013","11.966","0.003","15.411","0.003","90","","90","","90","","1756.4","0.6","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,4'-bipiperidinium tetracyanidoplatinate monohydrate","","- C14 H24 N6 O Pt -","- C14 H24 N6 O Pt -","- C56 H96 N24 O4 Pt4 -","4","1","PK2073","Maynard, Branson A.; Sykora, Richard E.","A nearly planar arrangement of ions in 4,4'-bipiperidinium tetracyanidoplatinate(II) monohydrate","Acta Crystallographica Section E","2008","64","1","m138","m139","10.1107/S1600536807064835","","","0.71073","MoKα","","0.0364","0.0325","","","0.0861","0.0877","","","","","","1.095","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217248","8.5021","0.0019","10.6178","0.0019","51.189","0.01","90","","90","","90","","4621","1.6","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-{2-[(<i>S</i>)-(2'-Benzoyloxy-1,1'-binaphthyl-2- yl)oxycarbonylamino]-3-phenylpropanamidomethyl}pyridinium picrate acetone solvate","","- C52 H42 N6 O13 -","- C52 H42 N6 O13 -","- C208 H168 N24 O52 -","4","1","PK2075","Streinz, Ludvík; Hartvich, Petr; Ondráček, Jan; Šimek, Petr; Fejfarová, Karla; Dušek, Michal","(<i>R</i>)-2-{2-[(<i>S</i>)-(2'-Benzoyloxy-1,1'-binaphthyl-2-yl)oxycarbonylamino]-3-phenylpropanamidomethyl}pyridinium picrate acetone solvate","Acta Crystallographica Section E","2008","64","1","o326","o327","10.1107/S160053680706669X","","","0.71073","MoKα","","0.0869","0.0349","","","0.0568","0.0606","","","","","","1.11","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217266","8.175","0.002","10.2076","0.001","29.562","0.006","90","","90","","90","","2466.9","0.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,4-Dicyanophenyl 2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside","","- C22 H22 N2 O10 -","- C22 H22 N2 O10 -","- C88 H88 N8 O40 -","4","1","RZ2165","Bin, Yuejing; Zhao, Fuqun; Zhang, Fushi; Wang, Ru-Ji","3,4-Dicyanophenyl 2,3,4,6-tetra-<i>O</i>-acetyl-α-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2008","64","1","o63","o63","10.1107/S1600536807049860","","","0.71073","MoKα","","0.1234","0.0591","","","0.0957","0.1123","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217275","9.6534","0.0019","10.096","0.002","14.359","0.003","90","","90","","90","","1399.4","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Poly[bis(μ~2~-5-<i>n</i>-butyltetrazolato-κ^2^N^1^:N^4^)zinc(II)]","","- C10 H18 N8 Zn -","- C10 H18 N8 Zn -","- C40 H72 N32 Zn4 -","4","1","SF2013","Tong, Xiao-Lan; Liu, Hao; Yu, Qun; Li, Jian-Rong","Poly[bis(μ~2~-5-<i>n</i>-butyltetrazolato-κ^2^<i>N</i>^1^:<i>N</i>^4^)zinc(II)]","Acta Crystallographica Section E","2008","64","1","m132","m132","10.1107/S160053680706518X","","","0.71073","MoKα","","0.0245","0.0215","","","0.0489","0.0499","","","","","","1.019","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217352","18.332","0.003","21.173","0.003","27.901","0.004","90","","90","","90","","10830","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","tetrakis[bis(1,10-phenanthroline)copper(I)] dodecatungstophosphate(V)","","- C96 H64 Cu4 N16 O40 Si W12 -","- C96 H64 Cu4 N16 O40 Si W12 -","- C384 H256 Cu16 N64 O160 Si4 W48 -","4","1","WM2165","Meng, Fan-Xia; Liu, Hong-Bo; Chen, Ya-Guang","An ionic organic‒inorganic hybrid: tetrakis[bis(1,10-phenanthroline)copper(I)] dodecatungstophosphate(V)","Acta Crystallographica Section E","2008","64","1","m106","m106","10.1107/S1600536807062903","","","0.71073","MoKα","","0.0579","0.0406","","","0.0671","0.0719","","","","","","0.99","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217355","15.041","0.003","22.55","0.004","4.9896","0.0015","90","","90","","90","","1692.3","0.7","295.1","","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Cinnamoyl-L-phenylalanine methyl ester","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","WN2217","Laurent F. Bornaghi; Sally-Ann Poulsen; Peter C. Healy; Alan R. White","<i>N</i>-Cinnamoyl-<small>L</small>-phenylalanine methyl ester","Acta Crystallographica Section E","2008","64","1","o139","o139","10.1107/S1600536807055973","","","0.7107","MoKα","","0.1374","0.0407","","","0.0946","0.1253","","","","","","0.937","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217357","7.5059","0.0011","16.48","0.003","17.551","0.003","90","","90","","90","","2171","0.6","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>'-(Oxydi-p-phenylene)diphthalimide","","- C28 H16 N2 O5 -","- C28 H16 N2 O5 -","- C112 H64 N8 O20 -","4","1","WN2220","Li, Yi-Tao; Wang, Zhiguo","<i>N</i>,<i>N</i>'-(Oxydi-<i>p</i>-phenylene)diphthalimide","Acta Crystallographica Section E","2008","64","1","o77","o77","10.1107/S1600536807057455","","","0.71073","MoKα","","0.0515","0.0464","","","0.1152","0.1179","","","","","","1.229","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217360","10.162","0.006","15.249","0.005","18.802","0.009","90","","90","","90","","2914","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>Euphorbia</i> Factor L~8~","(2<i>S</i>*,3<i>S</i>*,4<i>R</i>*,5<i>R</i>*,9<i>S</i>*,11<i>S</i>*, 15<i>R</i>*)-5,15-diacetoxy-3-nicotinoyloxy-14-oxolathyra-6(17),12(<i>E</i>)- diene","","- C30 H37 N O7 -","- C30 H37 N O7 -","- C120 H148 N4 O28 -","4","1","WW2099","Jiao, Wei; Mao, Zhi-hua; Dong, Wei-wei; Deng, Mei-cai; Lu, Run-hua","<i>Euphorbia</i> factor L~8~: a diterpenoid from the seeds of <i>Euphorbia lathyris</i>","Acta Crystallographica Section E","2008","64","1","o331","o331","10.1107/S1600536807066901","","","0.71073","MoKα","","0.1516","0.0487","","","0.0963","0.1183","","","","","","0.931","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217367","9.0943","0.0004","10.9172","0.0006","18.0657","0.0012","90","","90","","90","","1793.64","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2-Chlorophenyl)(diphenylphosphoryl)methanol","","- C19 H16 Cl O2 P -","- C19 H16 Cl O2 P -","- C76 H64 Cl4 O8 P4 -","4","1","XU2343","Liu, Wan-Yun; Huo, Ping","(2-Chlorophenyl)(diphenylphosphoryl)methanol","Acta Crystallographica Section E","2008","64","1","o233","o233","10.1107/S1600536807057674","","","0.71073","MoKα","","0.053","0.035","","","0.078","0.084","","","","","","0.909","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2217369","8.3044","0.0007","13.2927","0.0011","38.964","0.003","90","","90","","90","","4301.2","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","20-O-β-D-xylopyranosyl(1→6)-β-D-glucopyranosyl-20(S)-\ protopanaxadiol methanol solvate","","- C42 H74 O13 -","- C42 H74 O13 -","- C168 H296 O52 -","4","1","XU2351","Li, Xing-Wei; Zhou, Wei; Yan, Qin; Zhou, Pei","20-<i>O</i>-β-<small>D</small>-Xylopyranosyl(1\ρightarrow 6)-β-<small>D</small>-glucopyranosyl-20(<i>S</i>)-protopanaxadiol methanol solvate","Acta Crystallographica Section E","2008","64","1","o165","o165","10.1107/S1600536807063118","","","0.71073","MoKa","","0.0707","0.045","","","0.0924","0.0993","","","","","","0.89","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217372","8.0278","0.0004","8.2637","0.0004","22.0158","0.001","90","","90","","90","","1460.51","0.12","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-1-[(S)-4-Benzyl-2-thioxothiazolidin-3-yl]-3-hydroxybutan-1-one","","- C14 H17 N O2 S2 -","- C14 H17 N O2 S2 -","- C56 H68 N4 O8 S8 -","4","1","XU2370","Jian-hong Yang; Cui-fen Lu; Zu-xing Chen; Gui-chun Yang","(<i>S</i>)-1-[(<i>S</i>)-4-Benzyl-2-thioxothiazolidin-3-yl]-3-hydroxybutan-1-one","Acta Crystallographica Section E","2008","64","1","o228","o228","10.1107/S1600536807064355","","","0.71073","MoKα","","0.0439","0.0399","","","0.0906","0.099","","","","","","1.096","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217390","7.9983","0.0004","10.1295","0.0006","22.3722","0.0012","90","","90","","90","","1812.57","0.17","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dimethyl [1-(1-allyl-5-iodo-1<i>H</i>-indol-3-yl)-3-hydroxypropyl]phosphonate","","- C16 H21 I N O4 P -","- C16 H21 I N O4 P -","- C64 H84 I4 N4 O16 P4 -","4","1","AT2520","Guo, Ying-Cen; Wang, Xu-Fan; Ding, Yu","Dimethyl [1-(1-allyl-5-iodo-1<i>H</i>-indol-3-yl)-3-hydroxypropyl]phosphonate","Acta Crystallographica Section E","2008","64","2","o384","o384","10.1107/S1600536807068171","","","0.71073","MoKα","","0.0465","0.042","","","0.0989","0.1016","","","","","","1.036","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217401","7.8063","0.001","12.2856","0.0011","13.1353","0.0013","90","","90","","90","","1259.7","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-Methylphenyl)-2-nitrobenzamide","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","AT2536","Saeed, Aamer; Hussain, Shahid; Bolte, Michael","<i>N</i>-(2-Methylphenyl)-2-nitrobenzamide","Acta Crystallographica Section E","2008","64","2","o521","o521","10.1107/S1600536808002298","","","0.71073","MoKα","","0.0355","0.0307","","","0.0756","0.0775","","","","","","1.023","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217425","10.481","0.002","11.741","0.002","28.203","0.006","90","","90","","90","","3470.6","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichloridotris(trimethylphosphine)nickel(II)","","- C9 H27 Cl2 Ni P3 -","- C9 H27 Cl2 Ni P3 -","- C72 H216 Cl16 Ni8 P24 -","8","2","BR2064","Cao, Ruixia; Wang, Qibao; Sun, Hongjian","Dichloridotris(trimethylphosphine)nickel(II)","Acta Crystallographica Section E","2008","64","2","m335","m335","10.1107/S1600536808000317","","","0.71073","MoKα","","0.0306","0.0296","","","0.0761","0.0805","","","","","","1.058","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217447","8.2213","0.0012","17.441","0.003","18.161","0.003","90","","90","","90","","2604.1","0.7","292","","292","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[(Diethylaminocarbonyl)methyl]-2-[hydroxy(6-methoxyquinolin-4-yl)methyl]- 5-vinyl-1-azoniabicyclo[2.2.2]octane chloride monohydrate","","- C26 H38 Cl N3 O4 -","- C26 H36 Cl N3 O4 -","- C104 H144 Cl4 N12 O16 -","4","1","CI2541","Li-Ping Zhang; Lin-Juan Wei; Ming-Qing Chen","1-[(Diethylaminocarbonyl)methyl]-2-[hydroxy(6-methoxyquinolin-4-yl)methyl]-5-vinyl-1-azoniabicyclo[2.2.2]octane chloride monohydrate","Acta Crystallographica Section E","2008","64","2","o518","o518","10.1107/S1600536807068444","","","0.71073","MoKα","","0.1105","0.0481","","","0.0867","0.1109","","","","","","0.995","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217449","11.4585","0.0008","16.1132","0.0011","10.1038","0.0007","90","","90","","90","","1865.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(4-Chlorophenyl)-7-methyl-4-(4-methylphenyl)-1-oxa-2,7- diazaspiro[4.5]dec-2-en-10-one","","- C21 H21 Cl N2 O2 -","- C21 H21 Cl N2 O2 -","- C84 H84 Cl4 N8 O8 -","4","1","CI2543","D. Gayathri; D. Velmurugan; R. Ranjith Kumar; S. Perumal; K. Ravikumar","3-(4-Chlorophenyl)-7-methyl-4-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.5]dec-2-en-10-one","Acta Crystallographica Section E","2008","64","2","o398","o398","10.1107/S1600536807068717","","","0.71073","MoKα","","0.0509","0.0431","","","0.1062","0.1109","","","","","","1.035","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217482","4.8468","0.0008","18.562","0.002","18.852","0.003","90","","90","","90","","1696","0.4","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(3-Chlorophenyl)acetamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","2","DN2306","B. Thimme Gowda; Sabine Foro; Hartmut Fuess","<i>N</i>-(3-Chlorophenyl)acetamide","Acta Crystallographica Section E","2008","64","2","o381","o381","10.1107/S1600536807068808","","","1.5418","CuKα","","0.1058","0.0816","","","0.2032","0.2239","","","","","","1.073","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217493","5.6253","0.0011","15.402","0.003","18.315","0.004","90","","90","","90","","1586.8","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4a<i>R</i>,8a<i>R</i>)-2,3-Diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline","","- C20 H20 N2 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","FB2074","Wang, Guo-Xi; Ye, Heng-Yun","(4a<i>R</i>,8a<i>R</i>)-2,3-Diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline","Acta Crystallographica Section E","2008","64","2","o359","o359","10.1107/S1600536807067505","","","0.71073","MoKα","","0.0665","0.0562","","","0.1269","0.1324","","","","","","1.19","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217518","6.3047","0.0002","9.1266","0.0002","24.5309","0.0006","90","","90","","90","","1411.52","0.06","296","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-hydroxyartemisinin","(3R,6R,7S,8aR,9R,12aR)-7-hydroxy-3,6,9-trimethyloctahydro-3,12- epoxy[1,2]dioxepino[4,3-i]isochromen-10(3H)-one","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","1","HB2682","Carvalho, Paulo B.; Liu, Bo; Wu, Yunshan; Williamson, John S.; Avery, Mitchell A.","7β-Hydroxyartemisinin","Acta Crystallographica Section E","2008","64","2","o395","o396","10.1107/S1600536808000251","","","1.54178","CuKα","","0.0281","0.028","","","0.0724","0.0724","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217521","7.533","0.002","7.701","0.002","19.288","0.005","90","","90","","90","","1118.9","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-hydroxypropan-2-aminium (2R,3R)-3-carboxy -2,3-dihydroxypropanoate monohydrate","","- C7 H17 N O8 -","- C7 H17 N O8 -","- C28 H68 N4 O32 -","4","1","HB2687","Xin-Yu Tang; Xi-Long Yan; Ping Zhang; Ling Qin; Yueguang Yin","(<i>S</i>)-1-Hydroxypropan-2-aminium (2<i>R</i>,3<i>R</i>)-3-carboxy-2,3-dihydroxypropanoate monohydrate","Acta Crystallographica Section E","2008","64","2","o422","o422","10.1107/S1600536808000391","","","0.71073","MoKα","","0.0305","0.0281","","","0.072","0.0743","","","","","","1.063","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217538","6.4707","0.0002","7.7258","0.0004","49.803","0.003","90","","90","","90","","2489.7","0.2","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4'<i>R</i>,5'<i>R</i>)-(<i>E</i>)-<i>tert</i>-Butyl 2-acetyl-2-(2-oxo-5-phenyl-1,3-dioxolan-4-ylmethyl)-5-phenylpent-4-enoate","","- C27 H30 O6 -","- C27 H30 O6 -","- C108 H120 O24 -","4","1","HG2374","David J. Fox; Daniel Sejer Pedersen; Stuart Warren","(2<i>S</i>,4'<i>R</i>,5'<i>R</i>)-(<i>E</i>)-<i>tert</i>-Butyl 2-acetyl-2-(2-oxo-5-phenyl-1,3-dioxolan-4-ylmethyl)-5-phenylpent-4-enoate","Acta Crystallographica Section E","2008","64","2","o530","o530","10.1107/S1600536808002651","","","0.71073","MoKα","","0.1451","0.0802","","","0.1968","0.2556","","","","","","1.1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217540","4.5443","0.0013","17.03","0.006","25.984","0.008","90","","90","","90","","2010.9","1.1","294","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-Bis(8-quinolyl)pyridine-2,6-dicarboxamide","","- C25 H17 N5 O2 -","- C25 H17 N5 O2 -","- C100 H68 N20 O8 -","4","1","HK2359","Meghdadi, Soraia; Nalchigar, Saeid; Khavasi, Hamid Reza","<i>N</i>,<i>N</i>'-Bis(8-quinolyl)pyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2008","64","2","o431","o431","10.1107/S1600536807055031","","","0.71073","MoKα","","","0.0779","","","","0.1147","","","","","","1.34","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2217596","8.1515","0.0003","9.5435","0.0004","28.9022","0.0012","90","","90","","90","","2248.41","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Morpholinium perchlorate","","- C4 H10 Cl N O5 -","- C4 H10 Cl N O5 -","- C48 H120 Cl12 N12 O60 -","12","3","NG2409","Grigoriev, Mikhail S.; German, Konstantin E.; Maruk, Alesia Ya.","Morpholinium perchlorate","Acta Crystallographica Section E","2008","64","2","o390","o390","10.1107/S1600536807068134","","","0.71073","MoKα","","0.0297","0.0252","","","0.0599","0.0618","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217610","6.763","0.004","9.932","0.005","18.685","0.007","90","","90","","90","","1255.1","1.1","295","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4a,8-dimethyl-3-methylene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-\ 2,5-dione","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","OM2203","Brito, Iván; Bórquez, Jorge; Loyola, Luis Alberto; López-Rodríguez, Matías","Aromaticine, a sesquiterpene lactone from <i>Amblyopappus pusillus</i>","Acta Crystallographica Section E","2008","64","2","o529","o529","10.1107/S1600536808002729","","","0.7107","MoKα","","","0.0573","","","","0.1483","","","","","","1.195","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217639","6.6962","0.0004","12.0519","0.0008","13.0632","0.0008","90","","90","","90","","1054.23","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ecgonine hydrochloride","(1R,2R,3S,5S,8S)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylic acid chloride","","- C9 H16 Cl N O3 -","- C9 H16 Cl N O3 -","- C36 H64 Cl4 N4 O12 -","4","1","RN2039","Wood, Matthew R.; Brettell, Thomas A.; Thompson, Hugh W.; Lalancette, Roger A.","The hydrochloride salt of <small>L</small>-ecgonine, a congener of cocaine","Acta Crystallographica Section E","2008","64","2","o525","o525","10.1107/S1600536808002535","","","1.54178","CuKα","","0.026","0.026","","","0.064","0.064","","","","","","1.09","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217644","7.564","0.003","14.549","0.006","19.397","0.008","90","","90","","90","","2134.6","1.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 3'-cyano-1'-methyl-2-oxo-4'-phenyl-spiro[acenaphthene-1,2'- pyrrolidine]-3'-carboxylate","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C104 H88 N8 O12 -","4","1","RZ2186","Wen-Long Yang; Zheng-Quan Zuo; Ming Li","Ethyl 3'-cyano-1'-methyl-2-oxo-4'-phenylspiro[acenaphthene-1,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2008","64","2","o440","o440","10.1107/S1600536807067530","","","0.71073","MoKα","","0.0624","0.0405","","","0.0903","0.101","","","","","","1.126","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217651","9.743","0.001","10.222","0.001","26.016","0.001","90","","90","","90","","2591","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{2-[(S)-({2-[(S)-1-Benzylpyrrolidine-2- carboxamido]phenyl}(phenyl)methylene)amino]-4-hydroxybutanoato- κ^4^N,N',N'',O}nickel(II)","","- C29 H29 N3 Ni O4 -","- C29 H29 N3 Ni O4 -","- C116 H116 N12 Ni4 O16 -","4","1","SG2215","Popkov, Alexander; Nádvorník, Milan; Kožíšek, Jozef","{2-[(<i>S</i>)-({2-[(<i>S</i>)-1-Benzylpyrrolidine-2-carboxamido]phenyl}(phenyl)methylene)amino]-4-hydroxybutanoato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}nickel(II)","Acta Crystallographica Section E","2008","64","2","m364","m365","10.1107/S1600536808000949","","","0.71073","MoKα","","0.0323","0.0291","","","0.0695","0.0731","","","","","","1.08","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217653","5.1016","0.0001","11.6386","0.0004","13.25","0.0003","90","","90","","90","","786.73","0.04","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Glutamic acid Hydrochloride","(S)-1,3-dicarboxypropanaminium chloride","","- C5 H10 Cl N O4 -","- C5 H10 Cl N O4 -","- C20 H40 Cl4 N4 O16 -","4","1","SI2055","Yi Jian Zhang; Zhan Shu; Wei Xu; Gang Chen; Zu-Guang Li","<small>L</small>-Glutamic acid hydrochloride at 153 K","Acta Crystallographica Section E","2008","64","2","o446","o446","10.1107/S1600536807068560","","","0.71073","MoKα","","0.0196","0.0194","","","0.055","0.0551","","","","","","1.152","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217712","3.9839","0.0003","7.8732","0.0008","25.651","0.002","90","","90","","90","","804.57","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Oxoisoindoline-2-carboxamide","","- C9 H8 N2 O2 -","- C9 H8 N2 O2 -","- C36 H32 N8 O8 -","4","1","AT2545","Maliha, Bushra; Hussain, Ishtiaq; Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Siddiqui, Hamid Latif","1-Oxoisoindoline-2-carboxamide","Acta Crystallographica Section E","2008","64","3","o626","","10.1107/S1600536808004923","","","0.71073","MoKα","","0.076","0.0398","","","0.101","0.1383","","","","","","1.066","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217732","7.5212","0.0007","12.4097","0.0011","13.5062","0.0012","90","","90","","90","","1260.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[(E)-4-Methoxybenzylidene]-1-methylpiperidin-4-one","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","BT2673","Gayathri, D.; Velmurugan, D.; Kumar, R. Ranjith; Perumal, S.; Ravikumar, K.","3-[(<i>E</i>)-4-Methoxybenzylidene]-1-methylpiperidin-4-one","Acta Crystallographica Section E","2008","64","3","o552","","10.1107/S1600536808003280","","","0.71073","MoKα","","0.0484","0.0445","","","0.1238","0.128","","","","","","1.112","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217735","6.7765","0.0001","12.5827","0.0002","13.9433","0.0002","90","","90","","90","","1188.9","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzylethyldimethylammonium bromide","","- C11 H18 Br N -","- C11 H18 Br N -","- C44 H72 Br4 N4 -","4","1","CF2179","Hodorowicz, Maciej; Stadnicka, Katarzyna","Benzylethyldimethylammonium bromide","Acta Crystallographica Section E","2008","64","3","o601","","10.1107/S1600536808002481","","","0.71073","MoKα","","0.0332","0.0266","","","0.0612","0.0647","","","","","","1.067","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217736","9.2342","0.0006","12.5782","0.001","13.4032","0.0008","90","","90","","90","","1556.78","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichlorido[(<i>S</i>)-(1-phenylethyl)(2-pyridylmethyl)amine- κ^2^N,N']zinc(II)","","- C14 H16 Cl2 N2 Zn -","- C14 H16 Cl2 N2 Zn -","- C56 H64 Cl8 N8 Zn4 -","4","1","CF2180","Nguyen, Quang Trung; Jeong, Jong Hwa","Dichlorido[(<i>S</i>)-(1-phenylethyl)(2-pyridylmethyl)amine-κ^2^<i>N</i>,<i>N</i>']zinc(II)","Acta Crystallographica Section E","2008","64","3","m457","","10.1107/S1600536808003541","","","0.71073","MoKα","","0.0345","0.0304","","","0.0792","0.0804","","","","","","1.066","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217741","10.448","0.007","10.588","0.009","26.49","0.016","90","","90","","90","","2930","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>*,4<i>R</i>*,5S*)-4-(4-Methylphenyl)-2,3-diphenyl-7- [(<i>R</i>*)-1-phenylethyl]-1-oxa-2,7-diazaspiro[4.5]decan-10-one oxime","","- C34 H35 N3 O2 -","- C34 H35 N3 O2 -","- C136 H140 N12 O8 -","4","1","CI2561","Begum, G. Chanthini; Kumar, R. Suresh; Suresh, J.; Gopinathan, C.; Lakshman, P. L. Nilantha","(3<i>R</i>*,4<i>R</i>*,5<i>S</i>*)-4-(4-Methylphenyl)-2,3-diphenyl-7-[(<i>R</i>*)-1-phenylethyl]-1-oxa-2,7-diazaspiro[4.5]decan-10-one oxime","Acta Crystallographica Section E","2008","64","3","o590","","10.1107/S1600536808004121","","","0.71073","MoKα","","0.2172","0.05","","","0.0812","0.1192","","","","","","0.955","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217744","9.377","0.0007","9.7861","0.0007","16.0119","0.0012","90","","90","","90","","1469.32","0.19","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N'-tert-Butyl-5-(4-chlorophenyl)furan-2-carbohydrazide","","- C15 H17 Cl N2 O2 -","- C15 H17 Cl N2 O2 -","- C60 H68 Cl4 N8 O8 -","4","1","CV2380","Li, Xi-Chen; Li, Ying; Cui, Zi-Ning; Yang, Xin-Ling; Ling, Yun","<i>N</i>'-<i>tert</i>-Butyl-5-(4-chlorophenyl)furan-2-carbohydrazide","Acta Crystallographica Section E","2008","64","3","o561","","10.1107/S1600536808003486","","","0.7107","MoKα","","0.0372","0.0265","","","0.0524","0.056","","","","","","0.958","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217756","7.6467","0.0011","9.9272","0.0008","16.5032","0.0014","90","","90","","90","","1252.8","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-Methoxyphenyl)-2-nitrobenzamide","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","EZ2111","Saeed, Aamer; Hussain, Shahid; Bolte, Michael","<i>N</i>-(2-Methoxyphenyl)-2-nitrobenzamide","Acta Crystallographica Section E","2008","64","3","o603","","10.1107/S1600536808002626","","","0.71073","MoKα","","0.0479","0.0443","","","0.1075","0.1102","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217783","8.4952","0.0013","13.1852","0.0019","18.771","0.003","90","","90","","90","","2102.6","0.6","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(11R,13R)-13-(Tetralin-1-ylamino)-4,5-epoxy-11,13-dihydrocostunolide","(12R)-4,8-dimethyl-12-[(1'R)-1',2',3',4'-tetrahydro-1'-naphthyl)aminomethyl]- 3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C25 H33 N O3 -","- C25 H33 N O3 -","- C100 H132 N4 O12 -","4","1","HG2376","Nasim, Shama; Parkin, Sean; Crooks, Peter A.","(11<i>R</i>,13<i>R</i>)-13-(Tetralin-1-ylamino)-4,5-epoxy-11,13-dihydrocostunolide","Acta Crystallographica Section E","2008","64","3","o639","","10.1107/S1600536808003322","","","1.54178","CuKα","","0.0432","0.0429","","","0.1098","0.11","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217787","5.591","0.0011","8.941","0.0018","15.674","0.003","90","","90","","90","","783.5","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-iodo-2-methylbenzenamine","4-Iodo-2-methylaniline","","- C7 H8 I N -","- C7 H8 I N -","- C28 H32 I4 N4 -","4","1","HK2418","Luo, Wei; Liu, Rui; Li, Yu-Hao; Chen, Wei; Zhu, Hong-Jun","4-Iodo-2-methylaniline","Acta Crystallographica Section E","2008","64","3","o591","","10.1107/S1600536808004145","","","0.71073","MoKα","","0.0596","0.0445","","","0.1246","0.1509","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217810","5.9512","0.0002","18.133","0.0007","22.4612","0.0012","90","","90","","90","","2423.86","0.18","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>R</i>)-4-Benzoyl-2-benzoyloxy-1-phenylbutyl imidazole-1-carboxylate","","- C28 H24 N2 O5 -","- C28 H24 N2 O5 -","- C112 H96 N8 O20 -","4","1","PK2082","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Warren, Stuart","(1<i>R</i>,2<i>R</i>)-4-Benzoyl-2-benzoyloxy-1-phenylbutyl imidazole-1-carboxylate","Acta Crystallographica Section E","2008","64","3","o619","","10.1107/S1600536808004364","","","0.71073","MoKα","","0.0492","0.0356","","","0.0731","0.0796","","","","","","1.124","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217878","6.0528","0.0002","13.1581","0.0005","16.6778","0.0006","90","","90","","90","","1328.28","0.08","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S)-Benzyl 4-isopropyl-5-oxo-1,3-oxazolidine-3-carboxylate","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","CF2183","Wu, Jian-Bin; Lin, Kan; Guo, Jian-Nan; Tang, Guo; Zhao, Yu-Fen","(4<i>S</i>)-Benzyl 4-isopropyl-5-oxo-1,3-oxazolidine-3-carboxylate","Acta Crystallographica Section E","2008","64","4","o685","","10.1107/S1600536808004455","","","0.71073","MoKα","","0.0367","0.0278","","","0.0596","0.062","","","","","","0.988","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217905","5.3851","0.0009","13.5599","0.0017","34.235","0.004","90","","90","","90","","2499.9","0.6","298","1","298","1","101","1","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(L-phenylalaninato- κ^2^<i>O</i>,<i>O</i>')lead(II) nitrate","","- C18 H26 N4 O12 Pb -","- C18 H26 N4 O12 Pb -","- C72 H104 N16 O48 Pb4 -","4","1","EZ2121","Bernès, Sylvain; Gasque, Laura","Diaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(<small>L</small>-phenylalaninato-κ^2^<i>O</i>,<i>O</i>')lead(II) nitrate","Acta Crystallographica Section E","2008","64","4","m566","m567","10.1107/S1600536808006995","","","0.71073","MoKα","","0.0651","0.0472","","","0.1009","0.1104","","","","","","1.062","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217919","8.106","0.004","9.417","0.004","28.572","0.011","90","","90","","90","","2181","1.6","80","2","80","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","morpholinium tetrafluoroborate","","- C4 H10 B F4 N O -","- C4 H10 B F4 N O -","- C48 H120 B12 F48 N12 O12 -","12","3","GK2132","Owczarek, Magdalena; Szklarz, Przemyslaw; Jakubas, Ryszard; Lis, Tadeusz","The low-temperature phase of morpholinium tetrafluoroborate","Acta Crystallographica Section E","2008","64","4","o667","","10.1107/S1600536808004339","","","0.71073","MoKα","","0.0437","0.0367","","","0.0892","0.0917","","","","","","1.13","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217924","7.0127","0.0003","8.4102","0.0003","26.2786","0.001","90","","90","","90","","1549.86","0.1","293","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Trichodermin","4β-aceoxy-12,13-epoxytrichothec-9-ene","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","HB2704","Chen, Shao-Yuan; Zhang, Chu-Long; Chen, Yu-Zhe; Lin, Fu-Cheng","Trichodermin (4β-acetoxy-12,13-epoxytrichothec-9-ene)","Acta Crystallographica Section E","2008","64","4","o702","","10.1107/S1600536808006168","","","0.71073","MoKα","","0.043","0.0358","","","0.099","0.1044","","","","","","1.106","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217946","7.552","0.004","8.521","0.005","14.142","0.008","90","","90","","90","","910","0.9","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diamine","(1<i>R</i>,2<i>R</i>)-N,N'-Dimethylcyclohexane-1,2-diamine","","- C8 H18 N2 -","- C8 H18 N2 -","- C32 H72 N8 -","4","1","IM2055","Strohmann, Carsten; Gessner, Viktoria H.; Damme, Alexander; Koller, Stephan; Däschlein, Christian","(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-Dimethylcyclohexane-1,2-diamine","Acta Crystallographica Section E","2008","64","4","o687","","10.1107/S1600536808006119","","","0.71073","MoKα","","0.0666","0.0514","","","0.1053","0.1114","","","","","","1.082","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217951","8.4471","0.0006","15.5153","0.001","44.488","0.003","90","","90","","90","","5830.6","0.7","93","1","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[tris{μ~2~-4-[4- (dimethylamino)phenyldiazenyl]benzenesulfonato}tridioxanetrisodium(I)]","","- C18 H22 N3 Na O5 S -","- C18 H22 N3 Na O5 S -","- C216 H264 N36 Na12 O60 S12 -","12","3","IS2280","Sato, Kazuyuki; Shibata, Hiroki; Mizuguchi, Jin","Poly[tris{μ~2~-4-[4-(dimethylamino)phenyldiazenyl]benzenesulfonato}tridioxanetrisodium(I)]","Acta Crystallographica Section E","2008","64","4","m586","m587","10.1107/S1600536808008015","","","1.54187","CuKα","","","0.0448","","","","0.0853","","","","","","0.806","","","","has coordinates,has Fobs","183154","2020-10-21","18:00:00",""
"2217952","8.5261","0.0005","12.8123","0.0008","17.2065","0.0011","90","","90","","90","","1879.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-Amino-13-(1-naphthyl)-[2,2]paracyclophane","1^2^-amino-4^2^-(1-naphthyl)-1,4(1,4)-dibenzenacyclohexaphane","","- C26 H23 N -","- C26 H23 N -","- C104 H92 N4 -","4","1","KJ2079","Sun, Junshan; Huo, Yanmin; Wu, Rentao; Li, Jikun; Ma, Yudao","4-Amino-13-(1-naphthyl)-[2,2]paracyclophane","Acta Crystallographica Section E","2008","64","4","o650","","10.1107/S1600536808005333","","","0.71073","MoKα","","0.0603","0.0537","","","0.1505","0.1592","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217958","13.392","0.008","13.874","0.009","15.289","0.009","90","","90","","90","","2841","3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[[bis(thiourea-κS)copper(I)]-μ-thiourea-κ^2^S:S] iodide acetonitrile hemisolvate]","","- C4 H13.5 Cu I N6.5 S3 -","- C4 H13.5 Cu I N6.5 S3 -","- C32 H108 Cu8 I8 N52 S24 -","8","2","LH2596","Jia, Li; Kong, Ling-Qian; Li, Da-Cheng","<i>catena</i>-Poly[[[bis(thiourea-κ<i>S</i>)copper(I)]-μ-thiourea-κ^2^<i>S</i>:<i>S</i>] iodide acetonitrile hemisolvate]","Acta Crystallographica Section E","2008","64","4","m568","m569","10.1107/S1600536808007265","","","0.71073","MoKα","","0.0452","0.0338","","","0.073","0.077","","","","","","1.001","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217968","7.4031","0.0002","7.925","0.0002","22.9973","0.0008","90","","90","","90","","1349.24","0.07","298","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6,9a-Trimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-<i>c</i>]furan- 1(3<i>H</i>)-one","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","NC2094","Brito, Iván; López-Rodríguez, Matías; Zárraga, Miguel; Paz, Cristian; Pérez, Claudia","6,6,9a-Trimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-<i>c</i>]furan-1(3<i>H</i>)-one","Acta Crystallographica Section E","2008","64","4","o738","","10.1107/S1600536808007460","","","0.71073","MoKα","","","0.0614","","","","0.1668","","","","","","1.179","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217987","9.606","0.0004","12.6617","0.0006","14.092","0.0007","90","","90","","90","","1713.99","0.14","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-Hydroxy-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a,10,10a-hexahydrophenanthren- 9(1H)-one","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","PK2088","Rajouani, Nezha; Ait Itto, My Youssef; Benharref, Ahmed; Auhmani, Aziz; Daran, Jean-Claude","6-Hydroxy-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a,10,10a-hexahydrophenanthren-9(1<i>H</i>)-one","Acta Crystallographica Section E","2008","64","4","o762","","10.1107/S1600536808007769","","","0.71073","MoKα","","0.0895","0.0459","","","0.1094","0.1538","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217988","7.3707","0.0005","9.6667","0.0007","27.099","0.002","90","","90","","90","","1930.8","0.2","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[2-(methoxycarbonylmethylaminocarbonyl)pyrrolidin-1-ylcarbonyl]-2- phenylethanaminium chloride monohydrate","","- C17 H26 Cl N3 O5 -","- C17 H26 Cl N3 O5 -","- C68 H104 Cl4 N12 O20 -","4","1","PV2069","Doi, Mitsunobu; Ichimiya, Yuko; Asano, Akiko","H‒<small>D</small>-Phe‒<small>D</small>-Pro‒Gly methyl ester hydrochloride monohydrate","Acta Crystallographica Section E","2008","64","4","o704","","10.1107/S160053680800528X","","","0.71073","MoKα","","0.032","0.032","","","0.0874","0.0875","","","","","","0.854","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2217999","5.8646","0.0016","13.22","0.002","26.85","0.003","90","","90","","90","","2081.7","0.7","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S)-[2-(3,5-Dichloro-2-oxidobenzylideneamino)-3-(4-hydroxyphenyl)propionato- κ^3^O,N,O'](dimethylformamide-κO)copper(II)","","- C19 H18 Cl2 Cu N2 O5 -","- C19 H18 Cl2 Cu N2 O5 -","- C76 H72 Cl8 Cu4 N8 O20 -","4","1","RT2016","Tan, Ming-Xiong; Chen, Zhen-Feng; Neng, Zhou; Liang, Hong","[(2<i>S</i>)-2-(3,5-Dichloro-2-oxidobenzylideneamino)-3-(4-hydroxyphenyl)propionato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'](dimethylformamide-κ<i>O</i>)copper(II)","Acta Crystallographica Section E","2008","64","4","m599","m600","10.1107/S1600536808007939","","","0.71073","MoKα","","0.0734","0.0606","","","0.1406","0.1479","","","","","","1.044","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218025","6.6849","0.0004","14.9604","0.0012","16.2761","0.001","90","","90","","90","","1627.75","0.19","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetrachlorido(2,3-di-2-pyridylpyrazine-κ^2^N^1^,<i>N</i>^2^)platinum(IV)","","- C14 H10 Cl4 N4 Pt -","- C14 H10 Cl4 N4 Pt -","- C56 H40 Cl16 N16 Pt4 -","4","1","XU2404","Delir Kheirollahi Nezhad, Parvaneh; Azadbakht, Fatemeh; Amani, Vahid; Khavasi, Hamid Reza","Tetrachlorido(2,3-di-2-pyridylpyrazine-κ^2^<i>N</i>^1^,<i>N</i>^2^)platinum(IV)","Acta Crystallographica Section E","2008","64","4","m575","m576","10.1107/S1600536808007228","","","0.71073","MoKα","","0.033","0.0326","","","0.0866","0.0869","","","","","","1.101","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218039","6.3358","0.0008","13.5625","0.001","15.9956","0.0015","90","","90","","90","","1374.5","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2'-(1,1'-Azinodiethylidyne)diphenol","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","AT2562","Tai, Xi-Shi; Xu, Jun; Feng, Yi-Min; Liang, Zu-Pei","2,2'-(1,1'-Azinodiethylidyne)diphenol","Acta Crystallographica Section E","2008","64","5","o905","","10.1107/S1600536808011318","","","0.71073","MoKα","","0.0922","0.0424","","","0.0956","0.1278","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218043","6.9787","0.0014","15.233","0.003","16.637","0.003","90","","90","","90","","1768.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-2-Nitrimino-1,3-diazepane-4-carboxylic acid","","- C6 H10 N4 O4 -","- C6 H10 N4 O4 -","- C48 H80 N32 O32 -","8","2","BG2177","Karapetyan, Harutyun A.","<small>L</small>-2-Nitrimino-1,3-diazepane-4-carboxylic acid","Acta Crystallographica Section E","2008","64","5","o943","","10.1107/S1600536808011835","","","0.71073","MoKα","","0.0769","0.0405","","","0.0962","0.114","","","","","","1.064","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218051","10.3391","0.0017","15.352","0.002","17.66","0.003","90","","90","","90","","2803.1","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-1,1'-Binaphthalene-2,2'-diyl dicinnamate","","- C38 H26 O4 -","- C38 H26 O4 -","- C152 H104 O16 -","4","1","BI2285","Weng, Wen; Guo, Hong-Xu; Chen, Zhi-Fen; Wang, Qing-Hua; Yao, Bi-Xia","(<i>R</i>)-1,1'-Binaphthalene-2,2'-diyl dicinnamate","Acta Crystallographica Section E","2008","64","5","o819","","10.1107/S1600536808008878","","","0.7107","MoKα","","0.0465","0.043","","","0.1398","0.1435","","","","","","1.017","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218054","12.8743","0.0014","13.1182","0.0012","18.208","0.003","90","","90","","90","","3075.1","0.7","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl (2'S,3'S)-3,4-O-(2',3'-dimethoxybutane-2',3'-diyl)-α-L-rhamnopyranoside","","- C13 H24 O7 -","- C13 H24 O7 -","- C104 H192 O56 -","8","2","BT2683","Tsai, Yow-Fu; Yang, Jen-Ta; Chen, Jhy-Der; Lin, Chia-Her","Methyl (2'<i>S</i>,3'<i>S</i>)-3,4-<i>O</i>-(2',3'-dimethoxybutane-2',3'-diyl)-α-<small>L</small>-rhamnopyranoside: a glycosyl acceptor","Acta Crystallographica Section E","2008","64","5","o897","","10.1107/S1600536808008222","","","0.71073","MoKα","","0.0471","0.0384","","","0.0983","0.1059","","","","","","1.015","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218063","9.0149","0.0003","11.0865","0.0004","33.3731","0.0011","90","","90","","90","","3335.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 1-(4-methoxyphenyl)-2-nitro-3-[4-oxo-3-phenyl-1-(4-methoxyphenyl)azetidin-2-\ yl]-2,3,10,10a-tetrahydro-1H,5H-pyrrolo[1,2-b]isoquinoline-10a-carboxylate","","- C38 H37 N3 O7 -","- C38 H37 N3 O7 -","- C152 H148 N12 O28 -","4","1","BT2696","Kamala, E. Theboral Sugi; Nirmala, S.; Sudha, L.; Arumugam, N.; Raghunathan, R.","Ethyl 1-(4-methoxyphenyl)-2-nitro-3-[4-oxo-3-phenyl-1-(4-methoxyphenyl)azetidin-2-yl]-2,3,10,10a-tetrahydro-1<i>H</i>,5<i>H</i>-pyrrolo[1,2-<i>b</i>]isoquinoline-10a-carboxylate","Acta Crystallographica Section E","2008","64","5","o887","o888","10.1107/S1600536808010428","","","0.71073","MoKα","","0.046","0.0339","","","0.0898","0.1074","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218065","6.509","0.004","17.437","0.01","19.757","0.012","90","","90","","90","","2242","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4a<i>R</i>,3<i>S</i>,8a<i>R</i>,9<i>R</i>,10<i>R</i>)- 1,4-Diallyl-2,3-diphenylperhydroquinoxaline","","- C26 H32 N2 -","- C26 H32 N2 -","- C104 H128 N8 -","4","1","BT2698","Chen, Fang; Ye, Heng-Yun","(2<i>S</i>,4a<i>R</i>,3<i>S</i>,8a<i>R</i>,9<i>R</i>,10<i>R</i>)-1,4-Diallyl-2,3-diphenylperhydroquinoxaline","Acta Crystallographica Section E","2008","64","5","o907","","10.1107/S1600536808011276","","","0.71073","MoKα","","0.071","0.0592","","","0.1463","0.1537","","","","","","1.133","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218100","5.9954","0.0002","11.7039","0.0005","37.0381","0.0013","90","","90","","90","","2598.95","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1- yl)methanaminium 4-toluenesulfonate","","- C27 H39 N O3 S -","- C27 H39 N O3 S -","- C108 H156 N4 O12 S4 -","4","1","DN2336","Li, Yong; Zeng, Tao; Huang, Dao-zhan","(7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,-9,10,10a-octahydrophenanthren-1-yl)methanaminium 4-toluenesulfonate","Acta Crystallographica Section E","2008","64","5","o872","","10.1107/S1600536808010210","","","0.71073","MoKα","","0.0691","0.0453","","","0.1218","0.1391","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218121","8.8449","0.0003","12.3879","0.0004","16.0377","0.0004","90","","90","","90","","1757.25","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Allyl-3,3-diphenylindolin-2-one","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","GW2038","Nirmala, S.; Kamala, E. Theboral Sugi; Sudha, L.; Raj, A. R. Naresh; Huq, C. A. M. A.","1-Allyl-3,3-diphenylindolin-2-one","Acta Crystallographica Section E","2008","64","5","o834","","10.1107/S1600536808009446","","","0.71073","MoKα","","0.0762","0.0502","","","0.1259","0.1415","","","","","","1.094","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218134","6.1925","0.0013","9.929","0.002","11.759","0.003","90","","90","","90","","723","0.3","150","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Alanine hydrochloride monohydrate","L-Alanine hydrochloride monohydrate","","- C3 H10 Cl N O3 -","- C3 H10 Cl N O3 -","- C12 H40 Cl4 N4 O12 -","4","1","HG2382","Yamada, Kazuhiko; Sato, Akira; Shimizu, Tadashi; Yamazaki, Toshio; Yokoyama, Shigeyuki","<small>L</small>-Alanine hydrochloride monohydrate","Acta Crystallographica Section E","2008","64","5","o806","","10.1107/S1600536808008751","","","0.71073","MoKα","","0.0195","0.0193","","","0.0532","0.0533","","","","","","1.114","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218136","6.263","0.003","9.698","0.005","27.651","0.015","90","","90","","90","","1679.5","1.5","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-1-(4-Bromobenzoyl)-4-(1-phenylpropyl)thiosemicarbazide","","- C17 H18 Br N3 O S -","- C17 H18 Br N3 O S -","- C68 H72 Br4 N12 O4 S4 -","4","1","HG2385","Serwer, Monazza; Khawar Rauf, M.; Ebihara, Masahiro; Hameed, Shahid","(<i>R</i>)-1-(4-Bromobenzoyl)-4-(1-phenylpropyl)thiosemicarbazide","Acta Crystallographica Section E","2008","64","5","o812","","10.1107/S1600536808006806","","","0.7107","MoKα","","0.0565","0.0478","","","0.0717","0.0738","","","","","","1.13","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218140","8.1518","0.0009","10.6651","0.0011","20.6782","0.0019","90","","90","","90","","1797.8","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-2-{N-Ethyl-4-[(4-nitrophenyl)diazenyl]anilino}ethyl acrylate","","- C19 H20 N4 O4 -","- C19 H20 N4 O4 -","- C76 H80 N16 O16 -","4","1","HK2424","Yousefi, Mohammad; Hosseini, Hossein; Amani, Vahid; Arab Chamjangali, Mansour; Khavasi, Hamid Reza","(<i>E</i>)-2-{<i>N</i>-Ethyl-4-[(4-nitrophenyl)diazenyl]anilino}ethyl acrylate","Acta Crystallographica Section E","2008","64","5","o789","","10.1107/S1600536808003085","","","0.71073","MoKα","","0.0329","0.0308","","","0.0779","0.0791","","","","","","1.123","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2218163","9.955","0.002","12.18","0.003","18.438","0.004","90","","90","","90","","2235.6","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[<i>N</i>-(2-oxido-1- naphthylidene)threoninato-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^]copper(II)","","- C25 H21 Cu N3 O4 -","- C25 H21 Cu N3 O4 -","- C100 H84 Cu4 N12 O16 -","4","1","HY2129","Qiu, Zhanglei; Li, Lianzhi; Liu, Yan; Xu, Tao; Wang, Daqi","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[<i>N</i>-(2-oxido-1-naphthylidene)threoninato-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^]copper(II)","Acta Crystallographica Section E","2008","64","5","m745","m746","10.1107/S1600536808012191","","","0.71073","MoKα","","0.0517","0.0337","","","0.0792","0.0885","","","","","","1.037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218165","6.3996","0.0007","13.1759","0.0003","20.854","0.001","90","","90","","90","","1758.4","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,5<i>R</i>,6<i>S</i>,7<i>R</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>,\ 13<i>S</i>)-7,8β-Epoxymomilactone-A","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","IM2057","Shabnam Habib, Rana; Jamshaid, Muhammad; Tahir, M. Nawaz; Khan, Tahir Javed; Khan, Islam Ullah","(4<i>R</i>,5<i>R</i>,6<i>S</i>,7<i>R</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>,13<i>S</i>)-7,8β-Epoxymomilactone-A","Acta Crystallographica Section E","2008","64","5","o892","","10.1107/S1600536808010556","","","0.71073","MoKα","","0.1418","0.0496","","","0.0923","0.1168","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218172","7.489","0.0015","10.15","0.002","17.362","0.004","90","","90","","90","","1319.7","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(-)-Methyl 2-(<i>p</i>-tolylsulfonyloxy)propanoate","","- C11 H14 O5 S -","- C11 H14 O5 S -","- C44 H56 O20 S4 -","4","1","IS2285","Chen, Wei; Liu, Shan; Chu, Qing-Yan; Luo, Wei; Zhu, Hong-Jun","(<i>S</i>)-(‒)-Methyl 2-(<i>p</i>-tolylsulfonyloxy)propanoate","Acta Crystallographica Section E","2008","64","5","o864","","10.1107/S1600536808010064","","","0.71073","MoKα","","0.1003","0.0632","","","0.1361","0.154","","","","","","1.01","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218203","8.3236","0.0005","12.8306","0.0009","23.3173","0.0013","90","","90","","90","","2490.2","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Eplerenone ethanol solvate","7α-(methoxycarbonyl)-3-oxo-9α,11-epoxy-17α-pregn-4-ene-21,17-carbolactone ethanol solvate","","- C26 H36 O7 -","- C26 H36 O7 -","- C104 H144 O28 -","4","1","NG2439","Yang, Qian; Ye, Wei-Dong; Yuan, Jian-Yong; Nie, Jing-Jing; Xu, Duan-Jun","Eplerenone ethanol solvate","Acta Crystallographica Section E","2008","64","5","o829","","10.1107/S1600536808009240","","","0.71073","MoKα","","0.073","0.0556","","","0.1421","0.1514","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218204","4.9173","0.0009","11.29","0.001","21.07","0.002","90","","90","","90","","1169.7","0.3","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2,2-Trichloro-<i>N</i>-(2,5-dimethylphenyl)acetamide","","- C10 H10 Cl3 N O -","- C10 H10 Cl3 N O -","- C40 H40 Cl12 N4 O4 -","4","1","NG2441","Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","2,2,2-Trichloro-<i>N</i>-(2,5-dimethylphenyl)acetamide","Acta Crystallographica Section E","2008","64","5","o828","","10.1107/S1600536808009264","","","0.71073","MoKα","","0.2564","0.088","","","0.2211","0.3085","","","","","","0.863","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218231","6.8689","0.0005","9.7362","0.001","20.4271","0.0014","90","","90","","90","","1366.1","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5,6-Dichloro-2-(3-methoxyphenyl)isoindoline-1,3-dione","","- C15 H9 Cl2 N O3 -","- C15 H9 Cl2 N O3 -","- C60 H36 Cl8 N4 O12 -","4","1","RZ2205","Büyükgüngör, Orhan; Odabaşoğlu, Mustafa","5,6-Dichloro-2-(3-methoxyphenyl)isoindoline-1,3-dione","Acta Crystallographica Section E","2008","64","5","o881","","10.1107/S1600536808010659","","","0.71073","MoKα","","0.0833","0.0706","","","0.1614","0.1693","","","","","","1.005","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218260","10.1673","0.0009","10.8433","0.001","17.2157","0.0014","90","","90","","90","","1898","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)~545~-<i>fac</i>-Δ-Tris(L-prolinato)cobalt(III) trihydrate","","- C15 H30 Co N3 O9 -","- C15 H30 Co N3 O9 -","- C60 H120 Co4 N12 O36 -","4","1","TK2254","Kato, Masaru; Hayashi, Miho; Fujihara, Takashi; Nagasawa, Akira","({-})~545~-<i>fac</i>-Δ-Tris(<small>L</small>-prolinato)cobalt(III) trihydrate","Acta Crystallographica Section E","2008","64","5","m684","","10.1107/S1600536808010246","","","0.71073","MoKα","","0.107","0.062","","","0.094","0.107","","","","","","0.92","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218269","6.7098","0.0006","10.3463","0.0008","15.3175","0.0013","90","","90","","90","","1063.37","0.15","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>)-2-(3-Oxo-1,4-dioxaspiro[4.5]decan-2-yl)ethanoic acid","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","WK2081","Tsai, Yow-Fu; Su, Yu-Ting; Lin, Chia-Her","(2<i>S</i>)-2-(3-Oxo-1,4-dioxaspiro[4.5]decan-2-yl)ethanoic acid","Acta Crystallographica Section E","2008","64","5","o939","","10.1107/S160053680801146X","","","0.71073","MoKα","","0.0521","0.0409","","","0.1134","0.1231","","","","","","1.046","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218270","9.1381","0.0009","11.2898","0.0011","13.9405","0.0014","90","","90","","90","","1438.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 3,4-<i>O</i>-isopropylidene-2-<i>O</i>-[(methylsulfanyl)thiocarbonyl]-\ β-L-arabinoside","","- C11 H18 O5 S2 -","- C11 H18 O5 S2 -","- C44 H72 O20 S8 -","4","1","WK2082","Li, Hongqi; Song, Yanxi; Li, Xiumei","Methyl 3,4-<i>O</i>-isopropylidene-2-<i>O</i>-[(methylsulfanyl)thiocarbonyl]-β-<small>L</small>-arabinoside","Acta Crystallographica Section E","2008","64","5","o933","","10.1107/S1600536808011458","","","0.71073","MoKα","","0.0504","0.0416","","","0.0957","0.099","","","","","","0.953","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218273","7.3773","0.0006","10.743","0.0009","21.2555","0.0018","90","","90","","90","","1684.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17α-Ethynyl-3-methoxyestra-1,3,5(10),9(11)-tetraen-17-ol","","- C21 H24 O2 -","- C21 H24 O2 -","- C84 H96 O8 -","4","1","WN2237","Li, Hongqi; Song, Yanxi; Ge, Fengyan","17α-Ethynyl-3-methoxyestra-1,3,5(10),9(11)-tetraen-17-ol","Acta Crystallographica Section E","2008","64","5","o783","","10.1107/S1600536808005254","","","0.71073","MoKα","","0.049","0.0435","","","0.1105","0.1141","","","","","","1.029","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218276","7.146","0.003","10.812","0.004","29.338","0.011","90","","90","","90","","2266.7","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4S)-3-Ethyl-4-hydroxy-3-(3-methoxyphenyl)-1-methylazepan-1-ium D-tartrate dihydrate","","- C20 H35 N O10 -","- C20 H35 N O10 -","- C80 H140 N4 O40 -","4","1","WN2243","Wang, Xing-Hai; Chao, Bo; Qiu, Zhui-Bai","(3<i>S</i>,4<i>S</i>)-3-Ethyl-4-hydroxy-3-(3-methoxyphenyl)-1-methylazepan-1-ium <small>D</small>-tartrate dihydrate","Acta Crystallographica Section E","2008","64","5","o784","","10.1107/S1600536808005898","","","0.71073","MoKα","","0.0873","0.061","","","0.1516","0.1627","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218287","4.669","0.0009","11.939","0.002","16.794","0.003","90","","90","","90","","936.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-<i>O</i>-Ethyl-L-ascorbic acid","","- C8 H12 O6 -","- C8 H12 O6 -","- C32 H48 O24 -","4","1","XU2411","Jin, Shu; Miao, Xiaoqin","3-<i>O</i>-Ethyl-<small>L</small>-ascorbic acid","Acta Crystallographica Section E","2008","64","5","o860","","10.1107/S1600536808009963","","","0.71073","MoKα","","0.0483","0.0395","","","0.1131","0.1376","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218314","7.6614","0.0001","11.7733","0.0002","13.0736","0.0002","90","","90","","90","","1179.24","0.03","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(11<i>R</i>,11aS)-11-Hydroxy-1,5,11,11a-tetrahydro- 1-benzothieno[2,3-<i>f</i>]indolizin-3(2<i>H</i>)-one","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C56 H52 N4 O8 S4 -","4","1","BQ2077","Švorc, Ľubomír; Vrábel, Viktor; Kožíšek, Jozef; Marchalín, Štefan; Šafář, Peter","(11<i>R</i>,11a<i>S</i>)-11-Hydroxy-1,5,11,11a-tetrahydro-1-benzothieno[2,3-<i>f</i>]indolizin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2008","64","6","o1164","o1165","10.1107/S1600536808015456","","","0.71073","MoKα","","0.0436","0.029","","","0.0711","0.0764","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218315","8.863","0.003","9.759","0.004","20.071","0.008","90","","90","","90","","1736","1.2","294","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5bα,6,7,13bα,14,15-Hexahydroacridino[4,3-<i>c</i>]acridine","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","BQ2079","Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","5bα,6,7,13bα,14,15-Hexahydroacridino[4,3-<i>c</i>]acridine","Acta Crystallographica Section E","2008","64","6","o1136","","10.1107/S1600536808014803","","","0.71073","MoKα","","","0.048","","","","0.059","","","","","","1.64","","","","has coordinates,has Fobs","208466","2020-10-21","18:00:00",""
"2218342","8.9073","0.0011","10.1205","0.0013","26.476","0.003","90","","90","","90","","2386.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>Z</i>,1'<i>Z</i>,3<i>E</i>,3'<i>E</i>)-1,1'-Diphenyl-3,3'- [(1<i>S</i>,2<i>S</i>)-cyclohexane-1,2-diyldinitrilo]dibut-1-en-1-ol","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C104 H120 N8 O8 -","4","1","BX2143","Li, Xiu-Zhi; Qu, Zhi-Rong","(1<i>Z</i>,1'<i>Z</i>,3<i>E</i>,3'<i>E</i>)-1,1'-Diphenyl-3,3'-[(1<i>S</i>,2<i>S</i>)-cyclohexane-1,2-diyldinitrilo]dibut-1-en-1-ol","Acta Crystallographica Section E","2008","64","6","o1121","","10.1107/S1600536808014670","","","0.71073","MoKα","","0.0852","0.0606","","","0.1459","0.1592","","","","","","1.074","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218374","8.3012","0.0017","9.3787","0.0019","16.575","0.003","90","","90","","90","","1290.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Chloro-<i>N</i>-chloromethyl-<i>N</i>-(2-ethyl-6-methylphenyl)acetamide","","- C12 H15 Cl2 N O -","- C12 H15 Cl2 N O -","- C48 H60 Cl8 N4 O4 -","4","1","CV2400","Song, Zu-Wei","2-Chloro-<i>N</i>-chloromethyl-<i>N</i>-(2-ethyl-6-methylphenyl)acetamide","Acta Crystallographica Section E","2008","64","6","o991","","10.1107/S1600536808011902","","","0.71073","MoKα","","0.0637","0.0365","","","0.0697","0.0746","","","","","","0.767","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218388","5.3141","0.0008","6.2823","0.0007","30.752","0.004","90","","90","","90","","1026.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-Ammonio-3-(4-nitrophenyl)propanoate monohydrate","","- C9 H12 N2 O5 -","- C9 H12 N2 O5 -","- C36 H48 N8 O20 -","4","1","DN2340","Dai, Wei; Fu, Da-Wei","(<i>S</i>)-2-Ammonio-3-(4-nitrophenyl)propanoate monohydrate","Acta Crystallographica Section E","2008","64","6","o974","","10.1107/S1600536808011203","","","0.71073","MoKα","","0.0524","0.0426","","","0.1073","0.1133","","","","","","1.091","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218394","9.015","0.004","10.386","0.004","14.005","0.004","90","","90","","90","","1311.3","0.9","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-<i>N</i>-(1-Hydroxymethyl-2-methylpropyl)-2-methoxybenzamide","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","ER2052","Li, Jihong; Wang, Wenhai; Lan, Jingbo; You, Jingsong","(<i>S</i>)-<i>N</i>-(1-Hydroxymethyl-2-methylpropyl)-2-methoxybenzamide","Acta Crystallographica Section E","2008","64","6","o1052","","10.1107/S160053680801009X","","","0.71073","MoKα","","0.0981","0.045","","","0.1182","0.1358","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218395","6.1983","0.0011","7.1194","0.0012","29.53","0.005","90","","90","","90","","1303.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(Trimethylsilylethynyl)methylbenzoate","Methyl 4-(trimethylsilylethynyl)benzoate","","- C13 H16 O2 Si -","- C13 H16 O2 Si -","- C52 H64 O8 Si4 -","4","1","EZ2120","Potts, Storm; Das, Dinabandhu; Bredenkamp, Martin W.","Methyl 4-(trimethylsilylethynyl)benzoate","Acta Crystallographica Section E","2008","64","6","o966","","10.1107/S1600536808008192","","","0.71073","MoKα","","0.0702","0.0584","","","0.11","0.1141","","","","","","1.103","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218405","5.4953","0.0001","14.27","0.0003","24.3759","0.0006","90","","90","","90","","1911.51","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(Fluoren-9-ylmethoxycarbonyl)-L-leucine","fluoren-9-yl N-(1-carboxy-3-methylbutyl)carbamate","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","FL2198","Yamada, Kazuhiko; Hashizume, Daisuke; Shimizu, Tadashi","<i>N</i>-(Fluoren-9-ylmethoxycarbonyl)-<small>L</small>-leucine","Acta Crystallographica Section E","2008","64","6","o1112","","10.1107/S1600536808014372","","","0.71073","MoKα","","0.0446","0.0393","","","0.1063","0.1107","","","","","","1.086","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218422","8.0627","0.0006","19.6005","0.0015","20.7929","0.0017","90","","90","","90","","3286","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,10-Phenanthrolinium 4-chloro-2-hydroxybenzoate‒1,10-phenanthroline‒ 4-chloro-2-hydroxybenzoic acid (1/1/1)","","- C38 H26 Cl2 N4 O6 -","- C38 H26 Cl2 N4 O6 -","- C152 H104 Cl8 N16 O24 -","4","1","HB2735","Shen, Hong; Nie, Jing-Jing; Xu, Duan-Jun","1,10-Phenanthrolinium 4-chloro-2-hydroxybenzoate‒1,10-phenanthroline‒4-chloro-2-hydroxybenzoic acid (1/1/1)","Acta Crystallographica Section E","2008","64","6","o1146","o1147","10.1107/S1600536808015110","","","0.71073","MoKα","","0.0723","0.0385","","","0.0879","0.0984","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218452","7.0456","0.0003","12.4789","0.0006","15.8064","0.0008","90","","90","","90","","1389.72","0.11","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Aminophenyl naphthalene-1-sulfonate","","- C16 H13 N O3 S -","- C16 H13 N O3 S -","- C64 H52 N4 O12 S4 -","4","1","IS2293","Vennila, Jasmine P.; Thilagavathi, R.; Kavipriya, R.; Kavitha, Helen P.; Manivannan, V.","4-Aminophenyl naphthalene-1-sulfonate","Acta Crystallographica Section E","2008","64","6","o1124","","10.1107/S1600536808014438","","","0.71073","MoKα","","0.0799","0.0513","","","0.1431","0.1637","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218458","5.3393","0.0001","8.6454","0.0001","11.2652","0.0002","90","","90","","90","","520.006","0.015","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-deazauracil","4-hydroxy-2-pyridone","","- C5 H5 N O2 -","- C5 H5 N O2 -","- C20 H20 N4 O8 -","4","1","KP2171","Portalone, Gustavo","Redetermination of 3-deazauracil","Acta Crystallographica Section E","2008","64","6","o1107","o1108","10.1107/S1600536808014578","","","0.71073","MoKα","","0.0405","0.0383","","","0.1112","0.1122","","","","","","1.104","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218483","12.5122","0.0003","15.5439","0.0004","19.1969","0.0004","90","","90","","90","","3733.57","0.15","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(-)-Kolavenic acid","(<i>E</i>)-3-methyl-5-(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-\ octahydronaphthalen-1-yl)pent-2-enoic acid","","- C20 H32 O2 -","- C20 H32 O2 -","- C160 H256 O16 -","8","2","NG2455","Zukerman-Schpector, Julio; Sousa Madureira, Lucas; Messiano, Gisele B.; Lopes, Lucia M. X.; Tiekink, Edward R. T.","({-})-Kolavenic acid","Acta Crystallographica Section E","2008","64","6","o1114","","10.1107/S1600536808014402","","","0.71073","MoKα","","0.122","0.05","","","0.11","0.134","","","","","","0.998","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218485","5.5734","0.0014","8.8154","0.0016","25.374","0.005","90","","90","","90","","1246.7","0.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Amino-4-methylpyridinium 4-aminobenzoate","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","NG2457","Shen, Hong; Nie, Jing-Jing; Xu, Duan-Jun","2-Amino-4-methylpyridinium 4-aminobenzoate","Acta Crystallographica Section E","2008","64","6","o1129","","10.1107/S1600536808014839","","","0.71073","MoKα","","0.055","0.0373","","","0.0876","0.0954","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218500","5.1615","0.0001","12.1337","0.0006","14.2436","0.0007","90","","90","","90","","892.05","0.06","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Bromo-8-methoxyquinoline","","- C10 H8 Br N O -","- C10 H8 Br N O -","- C40 H32 Br4 N4 O4 -","4","1","PV2082","Vasdev, Neil; Kulkarni, Padmakar V.; Wilson, Alan A.; Houle, Sylvain; Lough, Alan J.","4-Bromo-8-methoxyquinoline","Acta Crystallographica Section E","2008","64","6","o1117","","10.1107/S1600536808014591","","","0.71073","MoKα","","0.0324","0.0276","","","0.0576","0.0593","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218506","7.74","0.003","9.238","0.004","18.497","0.007","90","","90","","90","","1322.6","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-[4-(Diethylamino)benzylideneamino]-4<i>H</i>-1,2,4-triazole","","- C13 H17 N5 -","- C13 H17 N5 -","- C52 H68 N20 -","4","1","RZ2200","Pan, Jian Xin; Zhang, Ju Zhou; Chen, Qian Wang","4-[4-(Diethylamino)benzylideneamino]-4<i>H</i>-1,2,4-triazole","Acta Crystallographica Section E","2008","64","6","o980","","10.1107/S1600536808009100","","","0.71073","MoKα","","0.0906","0.0595","","","0.1171","0.1311","","","","","","1.093","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218524","9.6423","0.0014","11.4974","0.0017","22.6","0.003","90","","90","","90","","2505.5","0.6","100","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,5<i>S</i>)-5-Benzyl-4-isopropyl-1,3,4-oxadiazinan-2-one","","- C13 H18 N2 O2 -","- C13 H18 N2 O2 -","- C104 H144 N16 O16 -","8","2","SG2243","Addison, Lacey D.; Dore, Delvis D.; Hitchcock, Shawn R.; Ferrence, Gregory M.","(4<i>R</i>,5<i>S</i>)-5-Benzyl-4-isopropyl-1,3,4-oxadiazinan-2-one","Acta Crystallographica Section E","2008","64","6","o1040","o1041","10.1107/S1600536808013056","","","0.71073","MoKα","","","0.0597","","","","0.1334","","","","","","1.32","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218564","12.682","0.0006","15.3848","0.0007","15.611","0.0007","90","","90","","90","","3045.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","mesaconitine","3,8,13,14,15-pentahydroxy-1α,3α,6α,14α,15α,16β-20-methyl-1,6,16- trimethoxy-4-methoxymethylaconitan-8,14-diyl 8-acetate 14-benzoate","","- C33 H45 N O11 -","- C33 H45 N O11 -","- C132 H180 N4 O44 -","4","1","WN2256","He, Dao-Hang; Zhu, Yong-Chuang; Hu, Ai-Xi","Mesaconitine","Acta Crystallographica Section E","2008","64","6","o1033","o1034","10.1107/S1600536808013147","","","0.71073","MoKα","","0.0544","0.0377","","","0.0742","0.0814","","","","","","1.07","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218589","8.7962","0.0006","9.7797","0.0006","16.6782","0.0011","90","","90","","90","","1434.73","0.16","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>,6<i>S</i>)-4,5-Dimethyl-3-methylacryloyl-6-phenyl- 1,3,4-oxadiazinan-2-one","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","ZL2116","Knott, Stanley A.; Hitchcock, Shawn R.; Ferrence, Gregory M.","(5<i>S</i>,6<i>S</i>)-4,5-Dimethyl-3-methylacryloyl-6-phenyl-1,3,4-oxadiazinan-2-one","Acta Crystallographica Section E","2008","64","6","o1101","","10.1107/S1600536808013986","","","0.71073","MoKα","","0.0348","0.0318","","","0.0789","0.0803","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218599","9.0115","0.0018","14.729","0.003","15.257","0.003","90","","90","","90","","2025.1","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-2-Nitrimino-1,3-diazepane-4-carboxylic acid monohydrate","","- C6 H12 N4 O5 -","- C6 H12 N4 O5 -","- C48 H96 N32 O40 -","8","2","BG2187","Karapetyan, Harutyun A.","<small>L</small>-2-Nitrimino-1,3-diazepane-4-carboxylic acid monohydrate","Acta Crystallographica Section E","2008","64","7","o1222","","10.1107/S1600536808015146","","","0.71073","MoKα","","0.0967","0.0455","","","0.1103","0.1319","","","","","","1.024","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218603","9.464","0.0019","11.389","0.002","13.611","0.003","90","","90","","90","","1467.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>)-2-[(4-Ethyl-2,3-dioxopiperazin-1-yl)carbonylamino]-\ 3-hydroxybutyric acid monohydrate","","- C11 H19 N3 O7 -","- C11 H19 N3 O7 -","- C44 H76 N12 O28 -","4","1","BH2173","Ji, Chun-xiang; Cui, Yong-tao; Yang, Dong-ling; Guo, Cheng","(2<i>S</i>,3<i>R</i>)-2-[(4-Ethyl-2,3-dioxopiperazin-1-yl)carbonylamino]-3-hydroxybutyric acid monohydrate","Acta Crystallographica Section E","2008","64","7","o1292","","10.1107/S1600536808017832","","","0.71073","MoKα","","0.0505","0.0411","","","0.0995","0.1054","","","","","","1.041","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218611","11.4341","0.0002","12.9704","0.0003","15.0389","0.0004","90","","90","","90","","2230.34","0.09","150","1","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>R</i>,5<i>R</i>,6<i>R</i>,9<i>S</i>,10S,13<i>S</i>,14S)- 1,6,7,8,9,14,15,16,17,17- Decachloropentacyclo[12.2.1.1^6,9^.0^2,13^.0^5,10^]octadeca-7,15-diene","","- C18 H14 Cl10 -","- C18 H14 Cl10 -","- C72 H56 Cl40 -","4","1","BT2716","Riddell, Nicole; McCrindle, Robert; Arsenault, Gilles; Lough, Alan J","(1<i>R</i>,2<i>R</i>,5<i>R</i>,6<i>R</i>,9<i>S</i>,10<i>S</i>,13<i>S</i>,14<i>S</i>)-1,6,7,8,9,14,15,16,17,17-Decachloropentacyclo[12.2.1.1^6,9^.0^2,13^.0^5,10^]octadeca-7,15-diene","Acta Crystallographica Section E","2008","64","7","o1249","","10.1107/S1600536808016231","","","0.71073","MoKα","","0.0391","0.0319","","","0.0681","0.072","","","","","","1.043","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218614","7.7014","0.0001","12.1234","0.0003","23.2773","0.0006","90","","90","","90","","2173.34","0.08","298","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 5a-acetoxymethyl-3-isopropyl-8-methyl- 1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodecahydro-7,10-<i>endo</i>- epidioxycylohepta[<i>e</i>]indene-3a-carboxylate","","- C23 H34 O6 -","- C23 H34 O6 -","- C92 H136 O24 -","4","1","BT2719","Brito, Iván; Bórquez, Jorge; Loyola, Luis Alberto; Cárdenas, Alejandro; López-Rodríguez, Matías","Methyl 5a-acetoxymethyl-3-isopropyl-8-methyl-1,2,3,3a,4,5,5a,6,7,10,10a,10b-dodecahydro-7,10-<i>endo</i>-epidioxycylohepta[<i>e</i>]indene-3a-carboxylate","Acta Crystallographica Section E","2008","64","7","o1209","","10.1107/S1600536808016474","","","0.71073","MoKα","","","0.0593","","","","0.1272","","","","","","1.08","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218619","9.4112","0.0006","11.4713","0.0007","17.0556","0.0011","90","","90","","90","","1841.3","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1,5-Dibenzyl-3-<i>tert</i>-butylimidazolidin-4-one","","- C21 H26 N2 O -","- C21 H26 N2 O -","- C84 H104 N8 O4 -","4","1","BT2725","Zheng, Jian-Feng; Guo, Jian-Nan; Huang, Su-Yu; Teng, Bo; Jin, Li-Ren","(<i>S</i>)-1,5-Dibenzyl-3-<i>tert</i>-butylimidazolidin-4-one","Acta Crystallographica Section E","2008","64","7","o1330","","10.1107/S1600536808018461","","","0.71073","MoKα","","0.0481","0.0416","","","0.1037","0.1066","","","","","","1.004","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218622","11.094","0.007","12.728","0.01","13.8776","0.0011","90","","90","","90","","1960","2","298","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","decahydrocyclohepta[<i>e</i>]indene-3a(1<i>H</i>)-carboxylic acid","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","BT2730","Brito, Iván; Bórquez, Jorge; Loyola, Luis Alberto; Cárdenas, Alejandro; López-Rodríguez, Matías","(3<i>S</i>,3a<i>S</i>,5a<i>S</i>,7<i>S</i>,8<i>S</i>,10a<i>S</i>,10b<i>R</i>)-7,8-Dihydroxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[<i>e</i>]indene-3a(1<i>H</i>)-carboxylic acid","Acta Crystallographica Section E","2008","64","7","o1348","o1349","10.1107/S1600536808018941","","","0.71073","MoKα","","","0.0391","","","","0.1167","","","","","","1.127","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218664","7.3815","0.0011","13.2067","0.0019","15.067","0.002","90","","90","","90","","1468.8","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(1-adamantyl)-4-bromomethoxybenzene","","- C17 H21 Br O -","- C17 H21 Br O -","- C68 H84 Br4 O4 -","4","1","CV2416","Cheng, Xiang-Wei","2-(1-Adamantyl)-4-bromoanisole at 123K","Acta Crystallographica Section E","2008","64","7","o1212","","10.1107/S1600536808016772","","","0.71073","MoKα","","0.0475","0.0399","","","0.1021","0.1064","","","","","","0.858","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218683","7.766","0.001","9.851","0.001","20.756","0.002","90","","90","","90","","1587.9","0.3","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-Methyl-2,4-diphenylquinoline","","- C22 H17 N -","- C22 H17 N -","- C88 H68 N4 -","4","1","FB2095","Huo, Xing; Xu, Yanfen; Li, Xinyun; Pan, Xinfu","6-Methyl-2,4-diphenylquinoline","Acta Crystallographica Section E","2008","64","7","o1187","","10.1107/S1600536808015651","","","0.71073","MoKα","","0.0611","0.0431","","","0.107","0.1199","","","","","","1.037","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218684","5.9109","0.0006","7.0348","0.0007","29.109","0.003","90","","90","","90","","1210.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methyl Eucomate","methyl 3-carboxy-3-hydroxy-3-(4-hydroxybenzyl)propanoate","","- C12 H14 O6 -","- C12 H14 O6 -","- C48 H56 O24 -","4","1","FB2096","Li, Linglin; Zhou, Guang-Xiong; Jiang, Ren-Wang","Methyl eucomate","Acta Crystallographica Section E","2008","64","7","o1354","","10.1107/S1600536808018734","","","0.71073","MoKα","","0.0409","0.0286","","","0.0616","0.0664","","","","","","1.048","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218730","11.503","0.002","13.151","0.003","13.434","0.003","90","","90","","90","","2032.2","0.7","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","12-Nitromethyl-14-deoxyandrographolide","3-[2-(6-hydroxy-5-hydroxymethyl-5,8a-dimethyl-2-methyleneperhydro- 1-napthyl)-1-(nitromethyl)ethyl]-2(4H)-furanone","","- C21 H31 N O6 -","- C21 H31 N O6 -","- C84 H124 N4 O24 -","4","1","HK2476","Quan, Ji-Cai; Chen, Jing; Xu, Hao; Hu, Chen-Hui; Wang, Jin-Tang","12-Nitromethyl-14-deoxyandrographolide","Acta Crystallographica Section E","2008","64","7","o1343","","10.1107/S1600536808018746","","","0.71073","MoKα","","0.0852","0.0545","","","0.1327","0.1877","","","","","","0.978","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218734","5.5645","0.0001","19.7873","0.0007","33.859","0.001","90","","90","","90","","3728.09","0.18","294","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Bis(<i>N</i>-benzoyl-<i>N</i>',<i>N</i>'-dibenzylthioureato- κ^2^<i>O</i>,<i>S</i>)nickel(II)","","- C44 H38 N4 Ni O2 S2 -","- C44 H38 N4 Ni O2 S2 -","- C176 H152 N16 Ni4 O8 S8 -","4","1","HY2137","Pérez, Hiram; Corrêa, Rodrigo S.; Duque, Julio; Plutín, Ana M.; O'Reilly, Beatriz","<i>cis</i>-Bis(<i>N</i>-benzoyl-<i>N</i>',<i>N</i>'-dibenzylthioureato-κ^2^<i>O</i>,<i>S</i>)nickel(II)","Acta Crystallographica Section E","2008","64","7","m916","","10.1107/S1600536808017145","","","0.71073","MoKα","","","0.0835","","","","0.1305","","","","","","1.17","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218759","6.6358","0.0006","13.0514","0.0012","16.7415","0.0014","90","","90","","90","","1449.9","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Carboxypyridinium 3-carboxy-4-hydroxybenzenesulfonate","","- C13 H11 N O8 S -","- C13 H11 N O8 S -","- C52 H44 N4 O32 S4 -","4","1","LH2633","Wang, Zhong-long; Yao, Kai-lun; Liu, Zu-li; Xu, Hui-jin","4-Carboxypyridinium 3-carboxy-4-hydroxybenzenesulfonate","Acta Crystallographica Section E","2008","64","7","o1192","","10.1107/S1600536808015882","","","0.71073","Mokα","","0.1354","0.0719","","","0.1459","0.1675","","","","","","0.973","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218772","6.0948","0.0001","13.4498","0.0004","17.1293","0.0004","90","","90","","90","","1404.15","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>-Dibenzylmethanesulfonamide","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","NG2454","Datta, Mrityunjoy; Buglass, Alan J.; Hong, Chang Seop; Lim, Jeon Hak","<i>N</i>,<i>N</i>-Dibenzylmethanesulfonamide","Acta Crystallographica Section E","2008","64","7","o1235","","10.1107/S1600536808015055","","","0.71073","MoKα","","0.0506","0.036","","","0.089","0.095","","","","","","1.1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218782","6.5305","0.0008","7.9857","0.0009","22.496","0.003","90","","90","","90","","1173.2","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(4-Chlorophenyl)-2-deoxy-α-L-ribopyranosylamine","","- C11 H14 Cl N O3 -","- C11 H14 Cl N O3 -","- C44 H56 Cl4 N4 O12 -","4","1","PK2090","Shang, Pei-Hua; Cheng, Chang-Mei; Yang, Yong-Chong; Wang, Ru-Ji; Zhao, Yu-Fen","<i>N</i>-(4-Chlorophenyl)-2-deoxy-α-<small>L</small>-ribopyranosylamine","Acta Crystallographica Section E","2008","64","7","o1317","","10.1107/S1600536808011616","","","0.71073","MoKα","","0.052","0.0369","","","0.0756","0.0838","","","","","","1.026","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218801","8.741","0.0017","9.023","0.0018","13.942","0.003","90","","90","","90","","1099.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-quinolylguanidine monohydrochloride","","- C10 H11 Cl N4 -","- C10 H11 Cl N4 -","- C40 H44 Cl4 N16 -","4","1","RZ2213","Wei, Chang-Mei","8-Quinolylguanidinium chloride","Acta Crystallographica Section E","2008","64","7","o1244","","10.1107/S1600536808013640","","","0.71073","MoKα","","0.062","0.0616","","","0.1074","0.1078","","","","","","0.99","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218818","7.5576","0.0011","11.7337","0.0018","15.021","0.002","90","","90","","90","","1332","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Bromo-<i>N</i>'-[(E)-4-hydroxybenzylidene]benzohydrazide","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C56 H44 Br4 N8 O8 -","4","1","SJ2509","Yang, Tao; Cao, Guo-Biao; Xiang, Ji-Ming; Zhang, Li-Hui","3-Bromo-<i>N</i>'-[(<i>E</i>)-4-hydroxybenzylidene]benzohydrazide","Acta Crystallographica Section E","2008","64","7","o1186","","10.1107/S1600536808015912","","","0.71073","MoKα","","0.0471","0.0305","","","0.0553","0.0593","","","","","","0.968","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218841","10.812","0.003","16.495","0.004","18.862","0.005","90","","90","","90","","3363.9","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(5-chlorosalicylato-κO)bis(1,10-phenanthroline-κ^2^N,N')cadmium(II)","","- C38 H24 Cd Cl2 N4 O6 -","- C38 H24 Cd Cl2 N4 O6 -","- C152 H96 Cd4 Cl8 N16 O24 -","4","1","WN2261","Wen, Decai; Xie, Jing; Jiang, Xiurong","Bis(5-chlorosalicylato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)","Acta Crystallographica Section E","2008","64","7","m851","m852","10.1107/S1600536808015687","","","0.71073","MoKα","","0.0669","0.0449","","","0.0801","0.0863","","","","","","1.01","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218844","5.6106","0.0004","7.6239","0.0007","30.477","0.002","90","","90","","90","","1303.64","0.17","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Chalcone","(E)-1-[4-(Methylsulfanyl)phenyl]-3-phenylprop-2-en-1-one","","- C16 H14 O S -","- C16 H14 O S -","- C64 H56 O4 S4 -","4","1","WN2267","Thiruvalluvar, A.; Subramanyam, M.; Butcher, R. J.; Karabasanagouda, T.; Adhikari, A. V.","(<i>E</i>)-1-[4-(Methylsulfanyl)phenyl]-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2008","64","7","o1263","","10.1107/S1600536808017200","","","0.71073","MoKα","","0.0947","0.0771","","","0.1738","0.1815","","","","","","1.109","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218845","9.328","0.004","16.95","0.007","25.49","0.01","90","","90","","90","","4030","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Di-μ-oxido-bis{[(<i>R</i>,<i>R</i>)-(+)-1-amino-2-(3-methoxy-2- oxidobenzylideneamino-κ^2^<i>O</i>^2^,<i>N</i>)-1,2-diphenylethane- κ<i>N</i>]oxidovanadium(V)} dihydrate","","- C44 H46 N4 O10 V2 -","- C44 H46 N4 O10 V2 -","- C176 H184 N16 O40 V8 -","4","1","XU2414","Romanowski, Grzegorz; Lis, Tadeusz","Di-μ-oxido-bis{[(<i>R</i>,<i>R</i>)-(+)-1-amino-2-(3-methoxy-2-oxidobenzylideneamino-κ^2^<i>O</i>^2^,<i>N</i>)-1,2-diphenylethane-κ<i>N</i>]oxidovanadium(V)} dihydrate","Acta Crystallographica Section E","2008","64","7","m886","m887","10.1107/S1600536808014396","","","1.5418","CuKα","","0.0981","0.048","","","0.0628","0.069","","","","","","1.006","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2218854","7.6392","0.0001","16.0029","0.0003","17.9496","0.0003","90","","90","","90","","2194.33","0.06","150","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Isopropyl-4-nitro-6-methoxy-1H-benzimidazole","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C88 H104 N24 O24 -","8","2","ZL2123","Moore, Michael D.; Jain, Prashi; Flaherty, Patrick T.; Wildfong, Peter L. D.","1-Isopropyl-4-nitro-6-methoxy-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2008","64","7","o1336","o1337","10.1107/S160053680801859X","","","0.71073","MoKα","","0.0382","0.0335","","","0.0949","0.0986","","","","","","1.088","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218879","7.33","0.0015","14.608","0.003","22.329","0.005","90","","90","","90","","2390.9","0.9","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2,3-Di-<i>O</i>-acetyl-4-chloro-4-deoxy-6-<i>O</i>-tosyl-β-D- galactopyranosyl)propan-2-one methanol 0.25-solvate","","- C20.25 H26 Cl O9.25 S -","- C20.25 H26 Cl O9.25 S -","- C81 H104 Cl4 O37 S4 -","4","1","BH2169","Yan, Lin; Liu, Feng-Wu; Liu, Hong-Min","1-(2,3-Di-<i>O</i>-acetyl-4-chloro-4-deoxy-6-<i>O</i>-tosyl-β-<small>D</small>-galactopyranosyl)propan-2-one methanol 0.25-solvate","Acta Crystallographica Section E","2008","64","8","o1558","","10.1107/S1600536808022253","","","0.71073","MoKα","","0.0823","0.0615","","","0.1412","0.1538","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2218907","4.8585","0.0004","10.7703","0.0008","19.1059","0.0014","90","","90","","90","","999.76","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-(2,4-Dinitrophenyl)acetohydrazide","","- C8 H8 N4 O5 -","- C8 H8 N4 O5 -","- C32 H32 N16 O20 -","4","1","BT2733","Zia-ur-Rehman, Muhammad; Elsegood, Mark R. J.; Mahmud, Shahid; Siddiqui, Hamid Latif","<i>N</i>'-(2,4-Dinitrophenyl)acetohydrazide","Acta Crystallographica Section E","2008","64","8","o1441","","10.1107/S1600536808019685","","","0.71073","MoKα","","0.0353","0.0304","","","0.0755","0.0781","","","","","","1.034","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218911","16.084","0.003","18.107","0.004","23.229","0.005","90","","90","","90","","6765","2","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Schizandrol A","1,2,3,10,11,12-hexamethoxy-6,7-dimethyl-5,6,7,8-\ tetrahydrodibenzo[a,c]cycloocten-6-ol","","- C24 H32 O7 -","- C24 H32 O7 -","- C288 H384 O84 -","12","3","BT2738","Zhao, Liang; Yu, Xiaoling; Chen, Chungang","Schizandrol A: a lignan from <i>Schisandra chinensis</i>","Acta Crystallographica Section E","2008","64","8","o1514","","10.1107/S1600536808021545","","","0.71073","MoKα","","0.0489","0.0442","","","0.1067","0.1096","","","","","","1.092","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218912","9.4845","0.0019","10.065","0.002","19.915","0.004","90","","90","","90","","1901.1","0.7","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Arctigenin","(3R-trans)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy- 3-methoxyphenyl)methyl]-4,5-dihydrofuran-2(3H)-one","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","BT2739","Gao, Haiyan; Li, Guanglei; Zhang, Junhe; Zeng, Jie","Arctigenin: a lignan from <i>Arctium lappa</i>","Acta Crystallographica Section E","2008","64","8","o1538","","10.1107/S1600536808021752","","","0.71073","MoKα","","0.0347","0.0321","","","0.0773","0.0789","","","","","","1.06","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218932","15.593","0.003","9.563","0.004","19.69","0.003","90","","90","","90","","2936.1","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ethyl 1-<i>O</i>-tert-butyldimethylsilyl-2,3-<i>O</i>-isopropylidene- 5-[(2'<i>S</i>)-tetrahydropyran-2-yloxy]-D-<i>glycero</i>- α-D-<i>manno</i>-heptofuronate","(2<i>S</i>,3<i>R</i>)-ethyl 3-[(3a<i>S</i>,4<i>R</i>,6<i>S</i>,6a<i>S</i>)-6-<i>tert- </i>butyldimethylsilyloxy-2,2-dimethylperhydrofuro[3,4-<i>d</i>][1,3]dioxol- 4-yl]-2-nitro-3-[(<i>S</i>)-tetrahydro-2<i>H</i>-pyran-2-yloxy]propanoate","","- C23 H41 N O10 Si -","- C23 H41 N O10 Si -","- C92 H164 N4 O40 Si4 -","4","1","CF2203","Soengas, Raquel G.; Valencia, Laura; Estévez, Juan C.; Estévez, Ramón J.","Ethyl 1-<i>O</i>-<i>tert</i>-butyldimethylsilyl-2,3-<i>O</i>-isopropylidene-5-[(2'<i>S</i>)-tetrahydropyran-2-yloxy]-<small>D</small>-<i>glycero</i>-α-<small>D</small>-<i>manno</i>-heptofuronate","Acta Crystallographica Section E","2008","64","8","o1478","","10.1107/S1600536808021193","","","1.54184","CuKα","","0.1358","0.066","","","0.2083","0.2639","","","","","","1.11","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218951","6.4418","0.0001","6.9344","0.0001","33.8083","0.0007","90","","90","","90","","1510.22","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-Chloro-<i>N</i>'-[(<i>Z</i>)-4-(dimethylamino)benzylidene]benzohydrazide monohydrate","","","- C16 H18 Cl N3 O2 -","- C16 H18 Cl N3 O2 -","- C64 H72 Cl4 N12 O8 -","4","1","CI2637","Fun, Hoong-Kun; Patil, P. S.; Jebas, Samuel Robinson; Sujith, K. V.; Kalluraya, B.","4-Chloro-<i>N</i>'-[(<i>Z</i>)-4-(dimethylamino)benzylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2008","64","8","o1594","o1595","10.1107/S1600536808022861","","","0.71073","MoKα","","0.0723","0.0504","","","0.0998","0.1139","","","","","","1.007","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218964","6.1685","0.001","7.6733","0.0012","21.131","0.002","90","","90","","90","","1000.2","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Benzaldehyde thiosemicarbazone monohydrate","","- C8 H11 N3 O S -","- C8 H11 N3 O S -","- C32 H44 N12 O4 S4 -","4","1","CV2428","Gu, Sheng-Jiu; Zhu, Kai-Mei","Benzaldehyde thiosemicarbazone monohydrate","Acta Crystallographica Section E","2008","64","8","o1597","","10.1107/S1600536808022769","","","0.71073","MoKα","","0.061","0.0453","","","0.097","0.1051","","","","","","1.075","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218982","7.41","0.0015","11.044","0.002","34.106","0.007","90","","90","","90","","2791.1","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Methyl-2,6-dinitro-<i>N</i>-(3-pentyl)-4-[(2,3,4-tri-<i>O</i>- acetyl-β-D-xylosyl)aminomethyl]aniline","","- C24 H34 N4 O11 -","- C24 H34 N4 O11 -","- C96 H136 N16 O44 -","4","1","ER2053","Bai, Lifei; Wang, Xiaoming; Cai, Baochang","3-Methyl-2,6-dinitro-<i>N</i>-(3-pentyl)-4-[(2,3,4-tri-<i>O</i>-acetyl-β-<small>D</small>-xylosyl)aminomethyl]aniline","Acta Crystallographica Section E","2008","64","8","o1623","","10.1107/S1600536808023192","","","0.71073","MoKα","","0.111","0.0674","","","0.1694","0.1962","","","","","","1.042","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2218989","6.5418","0.0014","10.964","0.002","11.614","0.002","90","","90","","90","","833","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Hydroxy-1-methyl-3,4-dihydro-2H-pyrrolium hydrogensulfate","","- C5 H11 N O5 S -","- C5 H11 N O5 S -","- C20 H44 N4 O20 S4 -","4","1","FB2100","Fang, Yan-Xiong; Huang, Hua-Rong; Du, Zhi-Yun; Huang, Bao-Hua; Zhang, Kun","5-Hydroxy-1-methyl-3,4-dihydro-2<i>H</i>-pyrrolium hydrogensulfate","Acta Crystallographica Section E","2008","64","8","o1622","","10.1107/S1600536808022460","","","0.71073","MoKα","","0.0285","0.0272","","","0.0883","0.0892","","","","","","1.195","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219012","9.803","0.003","14.976","0.005","20.823","0.006","90","","90","","90","","3057","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-3-Chloro-3-phenyl-<i>N</i>-[(<i>S</i>)-1-phenylethyl]prop-2-enamide","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C136 H128 Cl8 N8 O8 -","8","2","HB2746","Urdaneta, Neudo A.; González, Teresa; Briceño, Alexander","(<i>Z</i>)-3-Chloro-3-phenyl-<i>N</i>-[(<i>S</i>)-1-phenylethyl]prop-2-enamide","Acta Crystallographica Section E","2008","64","8","o1372","","10.1107/S160053680801876X","","","0.7107","MoKα","","0.1212","0.0701","","","0.1371","0.1609","","","","","","1.071","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"2219015","7.6523","0.0009","10.6885","0.0012","27.705","0.003","90","","90","","90","","2266","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Hoodigogenin A","12-<i>O</i>-β-tigloyl-3β,1β-dihydroxypregn-5-en-20-one","","- C26 H38 O5 -","- C26 H38 O5 -","- C104 H152 O20 -","4","1","HB2752","Shukla, Yatin J.; Fronczek, Frank R.; Pawar, Rahul S.; Khan, Ikhlas A.","Hoodigogenin A from <i>Hoodia gordonii</i>","Acta Crystallographica Section E","2008","64","8","o1643","o1644","10.1107/S1600536808022368","","","0.71073","MoKα","","0.058","0.04","","","0.092","0.1","","","","","","1.022","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219027","7.7171","0.0002","11.1548","0.0003","15.9646","0.0004","90","","90","","90","","1374.28","0.06","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","catena-Poly[[diiodidomercury(II)]-μ-nicotine-κ^2^N:N']","catena-Poly[[diiodidomercury(II)]-μ-3-(1-methyl-2-pyrrolidinyl)pyridine- κ^2^N:N']","","- C10 H14 Hg I2 N2 -","- C10 H14 Hg I2 N2 -","- C40 H56 Hg4 I8 N8 -","4","1","HG2420","Jiang, Zhengjing; Tang, Guodong; Lu, Lude","<i>catena</i>-Poly[[diiodidomercury(II)]-μ-nicotine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2008","64","8","m1026","","10.1107/S1600536808020904","","","0.71073","MoKα","","0.0239","0.0228","","","0.0484","0.049","","","","","","0.915","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219044","7.169","0.0014","12.399","0.003","15.026","0.003","90","","90","","90","","1335.6","0.5","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-Methylbenzylideneamino)pyridinium iodide","","- C13 H13 I N2 -","- C13 H13 I N2 -","- C52 H52 I4 N8 -","4","1","HK2492","Cui, Yong-Tao; Ji, Chun-Xiang; You, Wei; Sun, Jia-Sen; Guo, Cheng","1-(4-Methylbenzylideneamino)pyridinium iodide","Acta Crystallographica Section E","2008","64","8","o1506","","10.1107/S1600536808021569","","","0.71073","MoKα","","0.077","0.0482","","","0.1078","0.1248","","","","","","1.083","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219068","5.6145","0.0003","15.7422","0.0008","17.3843","0.0008","90","","90","","90","","1536.5","0.13","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(7-benzyloxy-1-naphthyl)-2-oxoacetate","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","IS2310","Fun, Hoong-Kun; Chantrapromma, Suchada; Li, Shu-Xian; Li, Hua-Min","Methyl 2-(7-benzyloxy-1-naphthyl)-2-oxoacetate","Acta Crystallographica Section E","2008","64","8","o1409","","10.1107/S160053680801982X","","","0.71073","MoKα","","0.0375","0.0338","","","0.0888","0.1","","","","","","1.083","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219071","5.3337","0.0002","13.6965","0.0004","25.2514","0.0009","90","","90","","90","","1844.69","0.11","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(Fluoren-9-ylmethoxycarbonyl)-L-isoleucine","fluoren-9-ylmethyl N-(1-carboxy-2-methylbutyl)carbamate","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","IS2313","Yamada, Kazuhiko; Hashizume, Daisuke; Shimizu, Tadashi; Deguchi, Kenzo","<i>N</i>-(Fluoren-9-ylmethoxycarbonyl)-<small>L</small>-isoleucine","Acta Crystallographica Section E","2008","64","8","o1533","","10.1107/S1600536808021855","","","0.71073","MoKα","","0.0412","0.034","","","0.0797","0.0838","","","","","","1.03","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219086","8.6218","0.0002","15.2945","0.0003","17.5449","0.0003","90","","90","","90","","2313.58","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methoxyphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-1-thio-α-D-mannopyranoside","","- C21 H26 O10 S -","- C21 H26 O10 S -","- C84 H104 O40 S4 -","4","1","LH2646","Drouin, Ludovic; Cowley, Andrew R.; Fairbanks, Antony J.; Thompson, Amber L.","4-Methoxyphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-1-thio-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section E","2008","64","8","o1401","","10.1107/S1600536808019338","","","0.71073","MoKα","","0.0443","0.0356","","0.0466","0.0362","0.0345","","","","","","1.0656","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219091","6.4939","0.0003","7.4874","0.0004","14.8382","0.0008","90","","90","","90","","721.47","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","LH2652","Booth, K. Victoria; Jenkinson, Sarah F.; Fleet, George W. J.; Gullapalli, Pushpakiran; Yoshihara, Akihide; Izumori, Ken; Watkin, David J.","6-Deoxy-α-<small>L</small>-talopyranose","Acta Crystallographica Section E","2008","64","8","o1385","","10.1107/S1600536808019582","","","0.71073","MoKα","","0.035","0.0292","","0.0721","0.0697","0.0721","","","","","","1.0292","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2219093","5.9687","0.0003","7.7395","0.0004","20.9768","0.0011","90","","90","","90","","969.02","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-azido-L-fucose monohydrate","6-Azido-6-deoxy-α-L-galactose monohydrate","","- C6 H13 N3 O6 -","- C6 H13 N3 O6 -","- C24 H52 N12 O24 -","4","1","LH2654","Booth, K. Victoria; Jenkinson, Sarah F.; Rao, Devendar; Simonisi, Tsuyosi; Fleet, George W. J.; Izumori, Ken; Watkin, David J.","6-Azido-6-deoxy-α-<small>L</small>-galactose (6-azido-<small>L</small>-fucose) monohydrate","Acta Crystallographica Section E","2008","64","8","o1568","o1569","10.1107/S1600536808022563","","","0.71073","MoKα","","0.0551","0.0331","","0.0726","0.0675","0.0726","","","","","","0.8037","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219101","6.514","0.004","9.097","0.003","18.177","0.003","90","","90","","90","","1077.1","0.8","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2-Hydroxyethyl)-3,5-dinitrobenzamide","","- C9 H9 N3 O6 -","- C9 H9 N3 O6 -","- C36 H36 N12 O24 -","4","1","LX2057","He, Li; Xu, Zhi-Gang; Jiang, Yan; Mao, Zhi-Hua; Deng, An-Ping","<i>N</i>-(2-Hydroxyethyl)-3,5-dinitrobenzamide","Acta Crystallographica Section E","2008","64","8","o1422","","10.1107/S1600536808019521","","","0.71073","MoKα","","0.0473","0.0349","","","0.0864","0.0917","","","","","","1.097","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219131","7.9399","0.0009","10.8427","0.0013","17.658","0.002","90","","90","","90","","1520.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-[(2-Ammoniophenyl)sulfanylmethyl]pyrrolidinium dibromide","","- C11 H18 Br2 N2 S -","- C11 H18 Br2 N2 S -","- C44 H72 Br8 N8 S4 -","4","1","PK2105","Li, Bailin; Zhang, Shuai; Wang, Yifeng; Luo, Shuping","(<i>S</i>)-2-[(2-Ammoniophenyl)sulfanylmethyl]pyrrolidinium dibromide","Acta Crystallographica Section E","2008","64","8","o1549","","10.1107/S1600536808021089","","","0.71073","MoKα","","0.0999","0.0579","","","0.1237","0.1337","","","","","","0.833","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219138","8.1706","0.0006","11.4642","0.0008","19.7716","0.0014","90","","90","","90","","1852","0.2","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,5-Diphenyl-2,5,6,8-tetrahydro-1,2,4-triazolo[3,4-<i>c</i>][1,4]oxazin-4-ium hexafluorophosphate","","- C17 H16 F6 N3 O P -","- C17 H16 F6 N3 O P -","- C68 H64 F24 N12 O4 P4 -","4","1","RK2095","Wu, Jie; Wei, Siping; Liu, Bo; Wang, Wenhai; Lan, Jingbo","2,5-Diphenyl-2,5,6,8-tetrahydro-1,2,4-triazolo[3,4-<i>c</i>][1,4]oxazin-4-ium hexafluoridophosphate","Acta Crystallographica Section E","2008","64","8","o1602","","10.1107/S1600536808022599","","","0.71073","MoKα","","0.0439","0.0346","","","0.0907","0.0963","","","","","","1.195","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219196","9.2661","0.0017","11.508","0.002","19.661","0.004","90","","90","","90","","2096.5","0.7","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-Dimethyl 2-(6-benzoyl-7-hydroxy-4-methoxycarbonyl-2-oxo-2H-chromen-8-yl)but-2-enedioate","","- C24 H18 O10 -","- C24 H18 O10 -","- C96 H72 O40 -","4","1","XU2430","Baharfar, Robabeh; Vahdat, S. Mohammad; Baghbanian, S. Meysam","(<i>E</i>)-Dimethyl 2-(6-benzoyl-7-hydroxy-4-methoxycarbonyl-2-oxo-2<i>H</i>-chromen-8-yl)but-2-enedioate","Acta Crystallographica Section E","2008","64","8","o1498","","10.1107/S1600536808020990","","","0.71073","MoKα","","0.0721","0.0458","","","0.0931","0.1127","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219197","8.3601","0.0002","10.3596","0.0003","20.5754","0.0006","90","","90","","90","","1781.98","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Ethylsulfanyl-5-methyl-1-phenyl-7-pyrrolidin-1-yl-1<i>H</i>- pyrimido[4,5-<i>e</i>][1,3,4]thiadiazine","","- C18 H21 N5 S2 -","- C18 H21 N5 S2 -","- C72 H84 N20 S8 -","4","1","XU2431","Nikpour, M.; Bakavoli, M.; Rahimizadeh, M.; Bigdeli, M. R.; Mirzaei, M.","3-Ethylsulfanyl-5-methyl-1-phenyl-7-(pyrrolidin-1-yl)-1<i>H</i>-pyrimido[4,5-<i>e</i>][1,3,4]thiadiazine","Acta Crystallographica Section E","2008","64","8","o1491","","10.1107/S1600536808021144","","","0.71073","MoKα","","0.0367","0.0313","","","0.0727","0.0759","","","","","","1.008","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219199","10.3716","0.001","12.1566","0.001","15.679","0.0016","90","","90","","90","","1976.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>*,N<i>S</i>*)-<i>N</i>-Allyl-<i>N</i>-benzyl-1-hydroxy-3- (4-hydroxyphenyl)-<i>N</i>-methylpropan-2-aminium bromide","","- C20 H26 Br N O2 -","- C20 H26 Br N O2 -","- C80 H104 Br4 N4 O8 -","4","1","XU2435","Wu, Hua-Fang; Luo, Ying-Gang; Yu, Kai-Bei; Zhang, Guo-Lin; Pan, Xin-Fu","(2<i>S</i>,N<i>S</i>)-<i>N</i>-Allyl-<i>N</i>-benzyl-1-hydroxy-3-(4-hydroxyphenyl)-<i>N</i>-methylpropan-2-aminium bromide","Acta Crystallographica Section E","2008","64","8","o1621","","10.1107/S1600536808023210","","","0.71073","MoKα","","0.104","0.054","","","0.1392","0.2107","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219261","4.9506","0.0009","10.084","0.0017","18.576","0.003","90","","90","","90","","927.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Benzene-1,3-diacetic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","BT2762","Zhu, Mei","Benzene-1,3-diacetic acid","Acta Crystallographica Section E","2008","64","9","o1719","","10.1107/S160053680802504X","","","0.71073","MoKα","","0.0506","0.0444","","","0.1158","0.121","","","","","","1.057","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219266","5.4414","0.0014","10.132","0.002","20.975","0.008","90","","90","","90","","1156.4","0.6","291","1","291","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>,4<i>S</i>,5<i>S</i>)-4-Hydroxy-3-methyl-5-[(2<i>S</i>,3<i>R</i>)-3- methylpent-4-en-2-yl]-4,5-dihydrofuran-2(3<i>H</i>)-one","","- C11 H18 O3 -","- C11 H18 O3 -","- C44 H72 O12 -","4","1","BT2768","Gille, Annika; Schürmann, Markus; Preut, Hans; Hiersemann, Martin","(3<i>S</i>,4<i>S</i>,5<i>S</i>)-4-Hydroxy-3-methyl-5-[(2<i>S</i>,3<i>R</i>)-3-methylpent-4-en-2-yl]-4,5-dihydrofuran-2(3<i>H</i>)-one","Acta Crystallographica Section E","2008","64","9","o1835","","10.1107/S1600536808026998","","","0.71073","MoKα","","0.1959","0.0364","","","0.057","0.0871","","","","","","0.971","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219291","4.761","0.002","14.035","0.003","21.073","0.004","90","","90","","90","","1408.1","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-(2-Hydroxybenzylidene)-2-methoxybenzohydrazide monohydrate","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","1","CI2646","Lu, Jiu-Fu; Min, Suo-Tian; Ji, Xiao-Hui; Dang, Zhong-Hai","<i>N</i>'-(2-Hydroxybenzylidene)-2-methoxybenzohydrazide monohydrate","Acta Crystallographica Section E","2008","64","9","o1693","","10.1107/S1600536808024483","","","0.71073","MoKα","","0.0704","0.0492","","","0.1194","0.1299","","","","","","1.062","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219295","6.484","0.0006","8.6124","0.0008","21.915","0.002","90","","90","","90","","1223.8","0.2","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2-Methylphenyl)benzenesulfonamide","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C52 H52 N4 O8 S4 -","4","1","CI2650","Gowda, B. Thimme; Foro, Sabine; Babitha, K. S.; Fuess, Hartmut","<i>N</i>-(2-Methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2008","64","9","o1692","","10.1107/S1600536808024562","","","0.71073","MoKα","","0.0447","0.0392","","","0.0979","0.1057","","","","","","1.075","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219388","7.365","0.0003","7.6272","0.0003","13.7676","0.0005","90","","90","","90","","773.39","0.05","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-Deoxy-L-mannitol","","- C6 H14 O5 -","- C6 H14 O5 -","- C24 H56 O20 -","4","1","LH2670","Jenkinson, Sarah F.; Booth, K. Victoria; Gullapalli, Pushpakiran; Morimoto, Kenji; Izumori, Ken; Fleet, George W. J.; Watkin, David J.","1-Deoxy-<small>L</small>-mannitol (6-deoxy-<small>L</small>-mannitol or <small>L</small>-rhamnitol)","Acta Crystallographica Section E","2008","64","9","o1705","o1706","10.1107/S1600536808024586","","","0.71073","MoKα","","0.0297","0.0272","","0.0718","0.0704","0.0718","","","","","","0.9737","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219395","7.1114","0.0002","11.7646","0.0003","14.5304","0.0004","90","","90","","90","","1215.65","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2-Hydroxyphenyl)-4-nitrophthalimide","","- C14 H8 N2 O5 -","- C14 H8 N2 O5 -","- C56 H32 N8 O20 -","4","1","LH2681","Mansor, Shahirah; Zakaria, Norzalida; Ariffin, Azhar; Ng, Seik Weng","<i>N</i>-(2-Hydroxyphenyl)-4-nitrophthalimide","Acta Crystallographica Section E","2008","64","9","o1770","","10.1107/S1600536808025920","","","0.71073","MoKα","","0.0608","0.0494","","","0.1339","0.1419","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219403","9.8759","0.0002","13.2996","0.0002","19.15","0.0003","90","","90","","90","","2515.27","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","p-Tosyl-THC","(6aR,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6<i>H</i>- benzo[<i>c</i>]chromen-1-yl 4-methylbenzenesulfonate","","- C28 H36 O4 S -","- C28 H36 O4 S -","- C112 H144 O16 S4 -","4","1","NC2105","Gul, Waseem; Carvalho, Paulo; Berberich, David W.; Avery, Mitchell A.; ElSohly, Mahmoud A.","(6a<i>R</i>,10a<i>R</i>)-6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6<i>H</i>-benzo[<i>c</i>]chromen-1-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2008","64","9","o1686","","10.1107/S1600536808022010","","","1.54178","CuKα","","0.0273","0.0265","","","0.0682","0.0688","","","","","","1.044","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219423","9.129","0.004","11.264","0.004","23.156","0.007","90","","90","","90","","2381.1","1.5","298","1","298","1","101","2","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>R</i>)-3,4,5-Trideoxy-5,6-didehydro-1,2-<i>O</i>-(2,2,2- trichloroethylidene)-α-D-glucofuranose-6,3-carbolactone","(<i>R</i>)-2-Trichloromethyl-3a,3b,7a,8a-tetrahydro-5H- pyrano[2',3':4,5]furano[2,3-d][1,3]dioxol-5-one","","- C9 H7 Cl3 O5 -","- C9 H7 Cl3 O5 -","- C72 H56 Cl24 O40 -","8","2","PV2095","Aburto-Luna, Violeta; Meza-León, Rosa-Luisa; Bernès, Sylvain","(<i>R</i>)-3,4,5-Trideoxy-5,6-didehydro-1,2-<i>O</i>-(2,2,2-trichloroethylidene)-α-<small>D</small>-glucofuranose-6,3-carbolactone: a new derivative of α-chloralose","Acta Crystallographica Section E","2008","64","9","o1784","","10.1107/S1600536808026196","","","0.71073","MoKα","","0.0605","0.0443","","","0.0982","0.1105","","","","","","1.059","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219454","7.3822","0.0002","5.8146","0.0002","9.2136","0.0003","90","","90","","90","","395.49","0.02","293","2","293","2","","","","","","","Maria Catalina mine, Tierra Amarilla, Chile","5","P 21 21 21","P 2ac 2ab","19","Conichalcite","calcium copper(II) arsenate(V) hydroxide","Conichalcite","- As Ca Cu H O5 -","- As Ca Cu H O5 -","- As4 Ca4 Cu4 H4 O20 -","4","1","WM2185","Henderson, Rachel R.; Yang, Hexiong; Downs, Robert T.; Jenkins, Robert A.","Redetermination of conichalcite, CaCu(AsO~4~)(OH)","Acta Crystallographica Section E","2008","64","9","i53","i54","10.1107/S1600536808024173","","","0.71073","MoKα","","0.0209","0.0179","","","0.0368","0.0379","","","","","","1.034","","","","has coordinates,has Fobs","282548","2023-04-10","20:38:56",""
"2219474","7.5942","0.0006","10.8082","0.0008","13.2716","0.001","90","","90","","90","","1089.33","0.14","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>-Methylisosalsoline","1,2-dimethyl-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","ZL2131","Jarraya, Raoudha Mezghani; Bouaziz, Amira; Hamdi, Besma; Ben Salah, Abdelhamid; Damak, Mohamed","<i>N</i>-Methylisosalsoline from <i>Hammada scoparia</i>","Acta Crystallographica Section E","2008","64","9","o1714","","10.1107/S160053680802477X","","","0.71073","MoKα","","0.0372","0.0327","","","0.0854","0.0886","","","","","","1.065","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219475","8.499","0.001","10.2537","0.0011","20.676","0.003","90","","90","","90","","1801.8","0.4","293","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","16-Hydroxymethyl-12-methoxyibogamine","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C84 H112 N8 O8 -","4","1","ZL2132","Jarraya, Raoudha Mezghani; Bouaziz, Amira; Hamdi, Besma; Ben Salah, Abdelhamid; Damak, Mohamed","<i>N</i>-(Hydroxymethyl)ibogaine","Acta Crystallographica Section E","2008","64","9","o1739","","10.1107/S1600536808025324","","","0.7107","MoKα","","0.1088","0.0489","","","0.1008","0.1226","","","","","","1","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2219480","4.001","0.0008","7.841","0.0016","40.447","0.008","90","","90","","90","","1268.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methoxy-<i>N</i>-(2-nitrobenzylidene)aniline","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","AT2599","Ren, Xiao-Yan; Jian, Fang-Fang","4-Methoxy-<i>N</i>-(2-nitrobenzylidene)aniline","Acta Crystallographica Section E","2008","64","10","o2027","","10.1107/S1600536808025117","","","0.71073","MoKα","","0.1632","0.0517","","","0.1007","0.1348","","","","","","0.962","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219487","12.2025","0.0013","13.5248","0.0014","19.791","0.002","90","","90","","90","","3266.2","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Imidazole-κ<i>N</i>^3^){<i>N</i>-[1-(2-oxidophenyl)ethylidene]-L-valinato- κ^3^O,N,O'}copper(II)","","- C16 H19 Cu N3 O3 -","- C16 H19 Cu N3 O3 -","- C128 H152 Cu8 N24 O24 -","8","2","AT2627","Zhao, Gan-Qing; Liu, Qiao-Ru; Yang, Wei-Chun; Li, Song-Tian; Wang, Xiang","(Imidazole-κ<i>N</i>^3^){<i>N</i>-[1-(2-oxidophenyl)ethylidene]-<small>L</small>-valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}copper(II)","Acta Crystallographica Section E","2008","64","10","m1250","m1251","10.1107/S1600536808028134","","","0.71073","MoKα","","0.0537","0.0373","","","0.0784","0.0864","","","","","","1.033","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219495","4.7778","0.0002","9.3581","0.0004","12.4433","0.0006","90","","90","","90","","556.35","0.04","105","2","105","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Phloroglucinol","benzene-1,3,5-triol","","- C6 H6 O3 -","- C6 H6 O3 -","- C24 H24 O12 -","4","1","BI2305","Görbitz, Carl Henrik; Kaboli, Massoud; Read, Matthew Lovell; Vestli, Kristian","Benzene-1,3,5-triol at 105K","Acta Crystallographica Section E","2008","64","10","o2023","","10.1107/S1600536808030638","","","0.71073","MoKα","","0.0271","0.0265","","","0.0797","0.0814","","","","","","1.127","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219501","7.2392","0.0014","9.832","0.002","36.782","0.007","90","","90","","90","","2618","0.9","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-{(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>)-3,4-Dihydroxy-6- hydroxymethyl-3-[(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>,6<i>S</i>)-3,4,5- trihydroxy-6-methyltetrahydropyran-2-yloxy]tetrahydropyran-2-yloxy}-7-hydroxy- 2-(4-hydroxyphenyl)chromen-4-one monohydrate","","- C27 H32 O15 -","- C27 H32 O15 -","- C108 H128 O60 -","4","1","BT2776","Chen, Yuzhen; Wang, Airong; Gao, Haiyan; Niu, Shengyang","5-{(2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>)-3,4-Dihydroxy-6-hydroxymethyl-3-[(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>,6<i>S</i>)-3,4,5-trihydroxy-6-methyltetrahydropyran-2-yloxy]tetrahydropyran-2-yloxy}-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one monohydrate","Acta Crystallographica Section E","2008","64","10","o1901","","10.1107/S1600536808027839","","","0.71073","MoKα","","0.0562","0.0449","","","0.1059","0.1103","","","","","","1.055","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219543","9.0336","0.0002","10.0498","0.0002","17.5941","0.0004","90","","90","","90","","1597.3","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","CS2089","Cruz, Filipa P. da; Booth, K. Victoria; Fleet, George W. J.; Watkin, David J.","3-<i>O</i>-Benzhydryl-2,5-dideoxy-2,5-imino-2-<i>C</i>-methyl-<small>L</small>-lyxono-1,4-lactone","Acta Crystallographica Section E","2008","64","10","o1902","o1903","10.1107/S1600536808027888","","","0.71073","MoKα","","0.0477","0.0285","","0.1012","0.0772","0.1012","","","","","","0.8639","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219553","9.1504","0.0018","12.519","0.003","12.551","0.003","90","","90","","90","","1437.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-Argininium ethyl sulfate","","- C8 H20 N4 O6 S -","- C8 H20 N4 O6 S -","- C32 H80 N16 O24 S4 -","4","1","CV2443","Karapetyan, Harutyun A.","<small>L</small>-Argininium ethyl sulfate","Acta Crystallographica Section E","2008","64","10","o1982","","10.1107/S1600536808029954","","","0.71073","MoKα","","0.0985","0.0715","","","0.1822","0.2023","","","","","","1.028","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219578","5.615","0.001","8.256","0.001","32.539","0.001","90","","90","","90","","1508.4","0.3","89","2","89","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","6-Bromolevamisole hydrogen oxalate","(<i>S</i>)-(-)-6-(4-Bromophenyl)-2,3,5,6-tetrahydrothiazolo[2,3- <i>b</i>]imidazolium hydrogen oxalate","","- C13 H13 Br N2 O4 S -","- C13 H13 Br N2 O4 S -","- C52 H52 Br4 N8 O16 S4 -","4","1","FL2215","Minor, Thomas; Chruszcz, Maksymilian","(<i>S</i>)-({-})-6-(4-Bromophenyl)-2,3,5,6-tetrahydrothiazolo[2,3-<i>b</i>]imidazolium hydrogen oxalate","Acta Crystallographica Section E","2008","64","10","o1954","","10.1107/S1600536808029085","","","0.71074","MoKα","","0.0428","0.0318","","","0.0698","0.0738","","","","","","1.099","","","","has coordinates","201974","2020-10-21","18:00:00",""
"2219584","6.6324","0.0015","8.575","0.002","34.367","0.008","90","","90","","90","","1954.5","0.8","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>)-<i>N</i>-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-2- (cinnamoylamino)propanamide","","- C20 H17 Cl N4 O2 S -","- C20 H17 Cl N4 O2 S -","- C80 H68 Cl4 N16 O8 S4 -","4","1","GW2052","Li, Shao-Hua; Huang, Hui-Ming; Kuang, Bin-Hai; Tu, Guo-Gang; Liu, Cheng-Mei","(2<i>R</i>)-<i>N</i>-[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(cinnamoylamino)propanamide","Acta Crystallographica Section E","2008","64","10","o2006","","10.1107/S1600536808030353","","","0.71073","MoKα","","0.0937","0.0429","","","0.0859","0.0987","","","","","","1.024","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219595","9.6952","0.0004","10.5671","0.0003","24.3512","0.0008","90","","90","","90","","2494.78","0.15","91","2","91","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Chloro-<i>N</i>-(3-methoxyphenyl)benzamide","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C112 H96 Cl8 N8 O16 -","8","2","HB2792","Saeed, Aamer; Khera, Rasheed Ahmad; Abbas, Naeem; Simpson, Jim; Stanley, Roderick G.","4-Chloro-<i>N</i>-(3-methoxyphenyl)benzamide","Acta Crystallographica Section E","2008","64","10","o1976","","10.1107/S1600536808029899","","","0.71073","MoKα","","0.0383","0.0336","","","0.0838","0.0869","","","","","","1.049","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219668","4.6811","0.0001","12.6577","0.0003","23.3392","0.0005","90","","90","","90","","1382.89","0.05","89","2","89","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Allyl-2-hydroxy-5,6,8-trimethoxynaphthalene-1,4-dione","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","NG2489","Rathwell, Dominea C. K.; Tsang, Kit Y.; Choi, Ka Wai; Boyd, Peter D. W.; Brimble, Margaret A.","3-Allyl-2-hydroxy-5,6,8-trimethoxynaphthalene-1,4-dione","Acta Crystallographica Section E","2008","64","10","o1929","","10.1107/S1600536808028432","","","0.71073","MoKα","","0.0705","0.0395","","","0.0752","0.0853","","","","","","1.091","","","","has coordinates,has Fobs","209312","2020-10-21","18:00:00",""
"2219684","11.3394","0.0004","15.0463","0.0005","15.4184","0.0005","90","","90","","90","","2630.63","0.15","225","2","225","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{2,6-Bis[(di-<i>tert</i>-butylphosphino)methyl]phenyl}chloridonickel(II)","","- C24 H43 Cl Ni P2 -","- C24 H43 Cl Ni P2 -","- C96 H172 Cl4 Ni4 P8 -","4","1","PV2105","Boro, Brian J.; Dickie, Diane A.; Goldberg, Karen I.; Kemp, Richard A.","{2,6-Bis[(di-<i>tert</i>-butylphosphino)methyl]phenyl}chloridonickel(II)","Acta Crystallographica Section E","2008","64","10","m1304","","10.1107/S1600536808029814","","","0.71073","MoKα","","0.0453","0.0325","","","0.0742","0.084","","","","","","1.089","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219712","7.6306","0.0009","11.2177","0.0014","15.443","0.002","90","","90","","90","","1321.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-Poly[[dibromidomercury(II)]-μ-3-(1-methylpyrrolidin-2-yl)pyridine- κ^2^N:N']","","- C10 H14 Br2 Hg N2 -","- C10 H14 Br2 Hg N2 -","- C40 H56 Br8 Hg4 N8 -","4","1","SI2110","Jiang, Zhengjing; Tang, Guodong; Zhang, Yu; Zhao, Jianying","<i>catena</i>-Poly[[dibromidomercury(II)]-μ-3-(1-methylpyrrolidin-2-yl)pyridine-κ^2^<i>N</i>:<i>N</i>']","Acta Crystallographica Section E","2008","64","10","m1319","","10.1107/S1600536808030055","","","0.71073","MoKα","","0.0546","0.0385","","","0.0711","0.0756","","","","","","1","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2219728","10.12","0.002","13.289","0.003","18.598","0.004","90","","90","","90","","2501.1","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1,2-Dimethyl-1,1,2-triphenyl-2-(4-piperidiniomethyl)disilane chloride","","- C26 H34 Cl N Si2 -","- C26 H34 Cl N Si2 -","- C104 H136 Cl4 N4 Si8 -","4","1","WM2191","Däschlein, Christian; Gessner, Viktoria H.; Strohmann, Carsten","(<i>S</i>)-1,2-Dimethyl-1,1,2-triphenyl-2-(4-piperidiniomethyl)disilane chloride","Acta Crystallographica Section E","2008","64","10","o1950","","10.1107/S1600536808028808","","","0.71073","MoKα","","0.0566","0.0551","","","0.1479","0.1491","","","","","","1.051","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219733","5.513","0.001","6.1282","0.0009","22.518","0.004","90","","90","","90","","760.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>)-3-Ammoniocyclohexanecarboxylate","","- C7 H13 N O2 -","- C7 H13 N O2 -","- C28 H52 N4 O8 -","4","1","WN2278","Hu, Yu; Sun, XiaoXia; Guo, Ying; Tuo, Xun","(1<i>S</i>,3<i>R</i>)-3-Ammoniocyclohexanecarboxylate","Acta Crystallographica Section E","2008","64","10","o1912","","10.1107/S1600536808028080","","","0.71073","MoKα","","0.0483","0.0379","","","0.0897","0.0929","","","","","","0.972","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219772","11.5377","0.0003","14.883","0.0003","18.7376","0.0004","90","","90","","90","","3217.54","0.13","100","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tris(ethane-1,2-diamine-κ^2^N,N')cobalt(II) <i>cis</i>-aqua-2κO-μ-cyanido- 1:2κ^2^C:N-heptacyanido-1κ^7^C-bis(ethane-1,2-diamine- 2κ^2^N,N')cobalt(II)molybdenum(IV) dihydrate","","- C18 H46 Co2 Mo N18 O3 -","- C18 H46 Co2 Mo N18 O3 -","- C72 H184 Co8 Mo4 N72 O12 -","4","1","BI2302","Purcell, W.; Visser, Hendrik G.","Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) <i>cis</i>-aqua-2κ<i>O</i>-μ-cyanido-1:2κ^2^<i>C</i>:<i>N</i>-heptacyanido-1κ^7^<i>C</i>-bis(ethane-1,2-diamine-2κ^2^<i>N</i>,<i>N</i>')cobalt(II)molybdenum(IV) dihydrate","Acta Crystallographica Section E","2008","64","11","m1438","m1439","10.1107/S1600536808033564","","","0.71073","MoKα","","","0.0396","","","","0.0932","","","","","","1.059","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219784","9.631","0.0008","16.909","0.0016","22.485","0.002","90","","90","","90","","3661.7","0.6","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethyl- <i>N</i>-(2-naphthyl)cyclopropanecarboxamide","","- C19 H17 Cl F3 N O -","- C19 H17 Cl F3 N O -","- C152 H136 Cl8 F24 N8 O8 -","8","2","BT2796","Liu, Dong-Qing; Yan, Fan-Yong","(<i>E</i>)-3-(2-Chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethyl-<i>N</i>-(2-naphthyl)cyclopropanecarboxamide","Acta Crystallographica Section E","2008","64","11","o2191","","10.1107/S1600536808032078","","","0.7107","MoKα","","0.0569","0.0533","","","0.1136","0.1154","","","","","","1.135","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219794","10.585","0.0006","11.6854","0.0006","18.5568","0.0015","90","","90","","90","","2295.3","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl <i>N</i>-(4-methyl-2-pyridyl)carbamate","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C88 H128 N16 O16 -","8","2","BT2808","Koch, Pierre; Schollmeyer, Dieter; Laufer, Stefan","<i>tert</i>-Butyl <i>N</i>-(4-methyl-2-pyridyl)carbamate","Acta Crystallographica Section E","2008","64","11","o2216","","10.1107/S1600536808032327","","","1.54178","CuKα","","0.085","0.0572","","","0.132","0.1487","","","","","","1.012","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219798","9.7503","0.0009","12.1068","0.0011","19.6292","0.0018","90","","90","","90","","2317.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-<i>N</i>-[(1<i>S</i>,2<i>S</i>)-2-Benzylamino-1-(4-hydroxyphenyl)- 3-methylbutyl]-1,1-dimethylethane-2-sulfinamide","","- C22 H32 N2 O2 S -","- C22 H32 N2 O2 S -","- C88 H128 N8 O8 S4 -","4","1","BV2109","Shen, Chun","(<i>S</i>)-<i>N</i>-[(1<i>S</i>,2<i>S</i>)-2-Benzylamino-1-(4-hydroxyphenyl)-3-methylbutyl]-1,1-dimethylethane-2-sulfinamide","Acta Crystallographica Section E","2008","64","11","o2082","","10.1107/S1600536808031073","","","0.71073","MoKα","","0.1003","0.0522","","","0.1145","0.1303","","","","","","0.891","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2219822","10.89","0.0003","18.6219","0.0005","18.6557","0.0006","90","","90","","90","","3783.24","0.19","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(-)-(1<i>S</i>,2<i>S</i>)-<i>N</i>,<i>N</i>'-Bis(2-oxidobenzylidene)- 1,2-diphenylethane-1,2-diamine] bis(pyridine)cobalt(III) perchlorate methanol hemisolvate hemihydrate","","- C38.5 H35 Cl Co N4 O7 -","- C38.5 H35 Cl Co N4 O7 -","- C154 H140 Cl4 Co4 N16 O28 -","4","1","CV2457","Chen, Yu-Ting","[(‒)-(1<i>S</i>,2<i>S</i>)-<i>N</i>,<i>N</i>'-Bis(2-oxidobenzylidene)-1,2-diphenylethane-1,2-diamine]bis(pyridine)cobalt(III) perchlorate methanol hemisolvate hemihydrate","Acta Crystallographica Section E","2008","64","11","m1377","m1378","10.1107/S1600536808031887","","","0.71073","MoKα","","0.0747","0.0496","","","0.1288","0.1451","","","","","","1.024","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2219838","11.286","0.002","11.539","0.002","14.74","0.003","90","","90","","90","","1919.6","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Chloro-2-((1<i>R</i>)-1-{[(<i>R</i>)-(2- chlorophenyl)(cyclopentyl)methyl]amino}ethyl)phenol","","- C20 H23 Cl2 N O -","- C20 H23 Cl2 N O -","- C80 H92 Cl8 N4 O4 -","4","1","DN2393","Zhang, Guang-You; Yang, Ting; Xu, Bao-Wang; Chen, Di-Juan; Wang, Wan-Hui","4-Chloro-2-((1<i>R</i>)-1-{[(<i>R</i>)-(2-chlorophenyl)(cyclopentyl)methyl]amino}ethyl)phenol","Acta Crystallographica Section E","2008","64","11","o2211","o2212","10.1107/S1600536808034624","","","0.71073","MoKα","","0.0652","0.0484","","","0.1045","0.1128","","","","","","1.018","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219864","9.283","0.002","12.357","0.003","26.941","0.006","90","","90","","90","","3090.4","1.2","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5,5-Bis(4-methoxyphenyl)-2,8-bis[3-(trifluoromethyl)phenyl]-5<i>H-</i> cyclopenta[2,1<i>-b</i>:3,4<i>-b</i>']dipyridine","9,9-Bis(4-methoxyphenyl)-3,6-bis[3-(trifluoromethyl)phenyl]-9<i>H-</i>-\ 4,5-diazafluorene","","- C39 H26 F6 N2 O2 -","- C39 H26 F6 N2 O2 -","- C156 H104 F24 N8 O8 -","4","1","HB2809","Ono, Katsuhiko; Tomura, Masaaki; Saito, Katsuhiro","5,5-Bis(4-methoxyphenyl)-2,8-bis[3-(trifluoromethyl)phenyl]-5<i>H</i>-cyclopenta[2,1<i>-b</i>:3,4<i>-b</i>']dipyridine","Acta Crystallographica Section E","2008","64","11","o2183","","10.1107/S160053680803420X","","","0.71073","MoKα","","0.0609","0.0561","","","0.1421","0.1463","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2219900","7.6879","0.0003","14.6555","0.0006","26.9557","0.001","90","","90","","90","","3037.1","0.2","296","1","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Alisol C 23-acetate","11β-hydroxy-24,25-epoxy-3,16-oxo-protost-13(17)-en-23-yl acetate","","- C32 H48 O6 -","- C32 H48 O6 -","- C128 H192 O24 -","4","1","IS2332","Zhan, Zha-Jun; Bian, Hong-Ling; Shan, Wei-Guang","Alisol C 23-acetate from the rhizome of <i>Alisma orientale</i>","Acta Crystallographica Section E","2008","64","11","o2231","","10.1107/S1600536808032959","","","0.71075","MoKα","","","0.0417","","","","0.0745","","","","","","1","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219912","12.181","0.004","13.455","0.005","15.254","0.005","90","","90","","90","","2500.1","1.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3',6'-Bis(diethylamino)-3<i>H</i>-spiro[2-benzothiophene-1,9'-xanthene]-3-thione","","- C28 H30 N2 O S2 -","- C28 H30 N2 O S2 -","- C112 H120 N8 O4 S8 -","4","1","KJ2093","Su, Bing-Yuan; Zhan, Xin-Qi; Guo, Jian-Nan; Zhou, Yue-Feng; Zheng, Hong","3',6'-Bis(diethylamino)-3<i>H</i>-spiro[2-benzothiophene-1,9'-xanthene]-3-thione","Acta Crystallographica Section E","2008","64","11","o2068","","10.1107/S1600536808031218","","","0.71073","MoKα","","0.0688","0.0572","","","0.1306","0.1362","","","","","","1.179","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219943","11.003","0.002","12.191","0.002","16.599","0.003","90","","90","","90","","2226.5","0.7","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>,<i>S</i>~P~)-1-Diphenylphosphino-2-(1-ethoxyethyl)ferrocene","","- C26 H27 Fe O P -","- C26 H27 Fe O P -","- C104 H108 Fe4 O4 P4 -","4","1","NC2112","Yuan, Hao; Zhou, Zhi-Ming","(<i>R</i>,<i>S</i>~P~)-1-Diphenylphosphino-2-(1-ethoxyethyl)ferrocene","Acta Crystallographica Section E","2008","64","11","m1448","","10.1107/S1600536808033618","","","0.71073","MoKα","","0.0273","0.0263","","0.0622","","0.0616","","","","","","1.053","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2219966","9.8418","0.0006","11.8041","0.0007","19.0181","0.0012","90","","90","","90","","2209.4","0.2","103","","103","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,4-Diphenyl-2,5-bis(trimethylsilyl)cyclopentadienone","","- C23 H28 O Si2 -","- C23 H28 O Si2 -","- C92 H112 O4 Si8 -","4","1","PV2107","Saito, Masaichi; Ito, Toru","3,4-Diphenyl-2,5-bis(trimethylsilyl)cyclopentadienone","Acta Crystallographica Section E","2008","64","11","o2121","","10.1107/S1600536808032923","","","0.71073","MoKα","","0.0283","0.0277","","","0.0743","0.0747","","","","","","1.068","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219974","6.322","0.0006","24.792","0.002","3.8545","0.0005","90","","90","","90","","604.14","0.11","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4,6-Trifluoroaniline","2,4,6-Trifluoroaniline","","- C6 H4 F3 N -","- C6 H4 F3 N -","- C24 H16 F12 N4 -","4","1","RN2051","Betz, Richard; Klüfers, Peter","2,4,6-Trifluoroaniline","Acta Crystallographica Section E","2008","64","11","o2242","","10.1107/S1600536808035083","","","0.71073","MoKα","","0.0586","0.0336","","","0.0732","0.0816","","","","","","0.938","","","","has coordinates,has Fobs","201974","2020-10-21","18:00:00",""
"2219990","9.7759","0.0002","16.9083","0.0004","19.338","0.0004","90","","90","","90","","3196.45","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[[aquatripyridinecobalt(II)]-μ-5-amino-2,4,6- triiodoisophthalato-κ^2^O^1^:O^3^] pyridine solvate]","","- C28 H24 Co I3 N5 O5 -","- C28 H24 Co I3 N5 O5 -","- C112 H96 Co4 I12 N20 O20 -","4","1","SI2113","Zhang, Yu; Zhao, Jianying; Tang, Guodong; Jiang, Zhengjing","<i>catena</i>-Poly[[[aquatripyridinecobalt(II)]-μ-5-amino-2,4,6-triiodoisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^] pyridine solvate]","Acta Crystallographica Section E","2008","64","11","m1392","m1393","10.1107/S1600536808032017","","","0.71073","MoKα","","0.0641","0.0409","","","0.0581","0.0645","","","","","","1.036","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2220007","7.7966","0.0013","10.4468","0.0018","21.349","0.004","90","","90","","90","","1738.9","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","13c-(2-Chloroethoxy)-1,13c-dihydro-2,3-epoxydibenzo[a,kl]xanthan-1-one","","- C22 H15 Cl O4 -","- C22 H15 Cl O4 -","- C88 H60 Cl4 O16 -","4","1","TK2302","Chen, Jin-Xiang; Wang, Yu-Qin; Wu, Shu-Guang; Jiang, Zhi-Hong; Chen, Zhi-Peng","13c-(2-Chloroethoxy)-1,13c-dihydro-2,3-epoxydibenzo[<i>a</i>,<i>kl</i>]xanthan-1-one","Acta Crystallographica Section E","2008","64","11","o2069","","10.1107/S1600536808030973","","","0.71073","MoKα","","0.06","0.047","","","0.124","0.136","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220014","9.81","0.002","10.377","0.002","18.301","0.004","90","","90","","90","","1863","0.7","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[<i>N</i>-(5-Bromo-2-oxidobenzylidene)-L-valinato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>']diethyltin(IV)","","- C16 H22 Br N O3 Sn -","- C16 H22 Br N O3 Sn -","- C64 H88 Br4 N4 O12 Sn4 -","4","1","TK2313","Wang, Wei; Tian, Laijin; Chen, Dengtai; Qu, Yuan","[<i>N</i>-(5-Bromo-2-oxidobenzylidene)-<small>L</small>-valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']diethyltin(IV)","Acta Crystallographica Section E","2008","64","11","m1404","","10.1107/S1600536808032388","","","0.71073","MoKα","","0.044","0.035","","","0.08","0.085","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220018","8.4739","0.0006","9.2892","0.0007","15.1046","0.0011","90","","90","","90","","1188.97","0.15","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[tetrasodium [[<i>cis</i>-dioxido-<i>trans</i>- bis(sulfato-κ<i>O</i>)molybdate(VI)]-μ-sulfato-κ^2^<i>O</i>:<i>O'</i>]]","","- Mo Na4 O14 S3 -","- Mo Na4 O14 S3 -","- Mo4 Na16 O56 S12 -","4","1","WM2186","Schäffer, Susan J. Cline; Berg, Rolf W.","<i>catena</i>-Poly[tetrasodium [[<i>cis</i>-dioxido-<i>trans</i>-bis(sulfato-κ<i>O</i>)molybdate(VI)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>']]","Acta Crystallographica Section E","2008","64","11","i73","","10.1107/S1600536808030328","","","0.71073","MoKα","","0.017","0.0166","","","0.0422","0.0423","","","","","","1.101","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220029","6.3859","0.0005","19.1596","0.0017","21.337","0.002","90","","90","","90","","2610.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-phenyl-1<i>H</i>-pyrazole","","- C29 H34 N2 S2 -","- C29 H34 N2 S2 -","- C116 H136 N8 S8 -","4","1","ZL2138","Ramesh, P.; Subbiahpandi, A.; Manikannan, Ramaiyan; Muthusubramanian, S.; Ponnuswamy, M. N.","4-(Cyclohexylsulfanyl)-1-[(<i>E</i>)-2-(cyclohexylsulfanyl)-1-phenylethenyl]-3-phenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2008","64","11","o2132","o2133","10.1107/S1600536808033126","","","0.71073","MoKα","","0.0948","0.0514","","","0.1192","0.1489","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220069","5.6277","0.0002","8.7859","0.0003","14.9217","0.0005","90","","90","","90","","737.79","0.04","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Chloro-4-iodoaniline","","- C6 H5 Cl I N -","- C6 H5 Cl I N -","- C24 H20 Cl4 I4 N4 -","4","1","BH2201","Xu, Yun-Hua; Wang, Can; Qu, Fanqi","2-Chloro-4-iodoaniline","Acta Crystallographica Section E","2008","64","12","o2300","","10.1107/S1600536808036076","","","0.71073","MoKα","","0.0277","0.0242","","","0.0451","0.0463","","","","","","1.138","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220084","10.9087","0.0015","11.214","0.002","18.129","0.003","90","","90","","90","","2217.7","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]- μ-biphenyl-2,2'-dicarboxylato-κ^2^<i>O</i>:<i>O</i>']","","- C24 H20 N2 Ni O6 -","- C24 H20 N2 Ni O6 -","- C96 H80 N8 Ni4 O24 -","4","1","BI2317","An, Zhe; Niu, Xian-Chun","<i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-biphenyl-2,2'-dicarboxylato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2008","64","12","m1547","","10.1107/S1600536808036866","","","0.71073","MoKα","","0.0433","0.0335","","","0.0817","0.0879","","","","","","0.999","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220105","7.4773","0.0016","11.661","0.002","18.417","0.004","90","","90","","90","","1605.8","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)acrylate","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","CI2693","Hou, Jin","Ethyl 3-(4-hydroxyphenoxy)-2-(4-methoxyphenyl)acrylate","Acta Crystallographica Section E","2008","64","12","o2293","","10.1107/S160053680803571X","","","0.71073","MoKα","","0.0667","0.0509","","","0.1215","0.1337","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220113","6.1067","0.0004","7.9488","0.0005","19.4512","0.0012","90","","90","","90","","944.18","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,3,4,9-Tetrahydro-1<i>H</i>-carbazole","","- C12 H13 N -","- C12 H13 N -","- C48 H52 N4 -","4","1","CI2708","Murugavel, S.; Kannan, P. S.; SubbiahPandi, A.; Surendiran, T.; Balasubramanian, S.","2,3,4,9-Tetrahydro-1<i>H</i>-carbazole","Acta Crystallographica Section E","2008","64","12","o2433","","10.1107/S1600536808038713","","","0.71073","MoKα","","0.069","0.0482","","","0.1113","0.1234","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220242","4.876","0.0005","9.129","0.0007","24.816","0.0009","90","","90","","90","","1104.63","0.15","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4<i>S</i>,5<i>S</i>)-2-(2-Fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide","","- C11 H11 F N2 O4 -","- C11 H11 F N2 O4 -","- C44 H44 F4 N8 O16 -","4","1","HK2584","Li, Xin-Hua; Wang, De-Cai; Liu, Bo-Nian; Xu, Wei","(4<i>S</i>,5<i>S</i>)-2-(2-Fluorophenyl)-1,3-dioxolane-4,5-dicarboxamide","Acta Crystallographica Section E","2008","64","12","o2499","","10.1107/S1600536808039470","","","0.71073","MoKα","","0.0901","0.0597","","","0.1069","0.1246","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220252","6.1525","0.0002","12.7466","0.0007","17.3414","0.001","90","","90","","90","","1359.97","0.12","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phenyl naphthalene-2-sulfonate","","- C16 H12 O3 S -","- C16 H12 O3 S -","- C64 H48 O12 S4 -","4","1","IS2352","Vennila, Jasmine P.; Kavitha, Helen P.; Thiruvadigal, D. John; Manivannan, V.","Phenyl naphthalene-2-sulfonate","Acta Crystallographica Section E","2008","64","12","o2304","","10.1107/S1600536808035824","","","0.71073","MoKα","","0.0814","0.0439","","","0.0915","0.106","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220263","7.7301","0.0008","12.2016","0.0018","14.047","0.002","90","","90","","90","","1324.9","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Chloro-<i>N</i>-[4-(dimethylamino)benzylidene]aniline","","- C15 H15 Cl N2 -","- C15 H15 Cl N2 -","- C60 H60 Cl4 N8 -","4","1","LH2690","Li, Jian; Liang, Zu-Pei; Tai, Xi-Shi","2-Chloro-<i>N</i>-[4-(dimethylamino)benzylidene]aniline","Acta Crystallographica Section E","2008","64","12","o2319","","10.1107/S1600536808036386","","","0.71073","MoKα","","0.0938","0.0447","","","0.0832","0.1048","","","","","","1.016","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220270","5.3959","0.0002","9.6233","0.0003","25.4532","0.0009","90","","90","","90","","1321.69","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>)-4-(2-Allyl-2<i>H</i>-1,2,3-triazol-4-yl)-1,2-<i>O</i>- isopropylidene-L-threose","","- C12 H17 N3 O4 -","- C12 H17 N3 O4 -","- C48 H68 N12 O16 -","4","1","LH2725","Jenkinson, Sarah F.; Best, Daniel; Wilson, Francis X.; Fleet, George W. J.; Watkin, David J.","(4<i>R</i>)-4-(2-Allyl-2<i>H</i>-1,2,3-triazol-4-yl)-1,2-<i>O</i>-isopropylidene-<small>L</small>-threose","Acta Crystallographica Section E","2008","64","12","o2361","","10.1107/S1600536808036416","","","0.71073","MoKα","","0.0589","0.0413","","0.0975","0.0903","0.0975","","","","","","0.9246","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220288","10.6051","0.0011","11.8922","0.001","30.625","0.003","90","","90","","90","","3862.4","0.6","163","2","163","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>~p~)-1-{(<i>R</i>)-(Dimethylamino)[2- (diphenylphosphanyl)phenyl]methyl-2-(diphenylphosphanyl)ferrocene chloroform solvate","","- C44 H40 Cl3 Fe N P2 -","- C44 H40 Cl3 Fe N P2 -","- C176 H160 Cl12 Fe4 N4 P8 -","4","1","NC2126","Bats, Jan W.; Rivas Nass, Andreas; Doppiu, Angelino; Karch, Ralf; Hashmi, A. Stephen K.","(<i>R</i>~p~)-1-{(<i>R</i>)-(Dimethylamino)[2-(diphenylphosphanyl)phenyl]methyl}-2-(diphenylphosphanyl)ferrocene chloroform solvate","Acta Crystallographica Section E","2008","64","12","m1639","","10.1107/S160053680803955X","","","0.71073","MoKα","","0.0528","0.039","","","0.0817","0.0881","","","","","","1.179","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220291","6.9241","0.0006","15.5069","0.0014","16.102","0.0015","90","","90","","90","","1728.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1<i>R</i>,3S,5<i>R</i>,6S)-6-Acetoxy-3-(4-methylphenylsulfonyloxy)tropane","(1<i>R</i>,3S,5<i>R</i>,6S)-8-methyl-3-(4-methylphenylsulfonyloxy)-8- azabicyclo[3.2.1]octan-6-yl acetate","","- C17 H23 N O5 S -","- C17 H23 N O5 S -","- C68 H92 N4 O20 S4 -","4","1","NG2508","Yang, Li-Min; Zhu, Liang; Niu, Yin-Yao; Chen, Hong-Zhuan; Lu, Yang","(1<i>R</i>,3<i>S</i>,5<i>R</i>,6<i>S</i>)-6-Acetoxy-3-(4-methylphenylsulfonyloxy)tropane","Acta Crystallographica Section E","2008","64","12","o2331","","10.1107/S1600536808035800","","","0.71073","MoKα","","0.0457","0.0396","","","0.0905","0.0932","","","","","","0.966","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220330","11.624","0.003","12.465","0.004","21.478","0.003","90","","90","","90","","3112","1.4","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Ethoxycarbonylmethylursolate","Ethoxycarbonylmethyl ursolate","","- C34 H54 O5 -","- C34 H54 O5 -","- C136 H216 O20 -","4","1","RZ2269","Yang, Wei; Luo, Hua-ling; Yang, Cong-ling; Yin, Shu-fan; Li, Ying","Ethoxycarbonylmethyl ursolate","Acta Crystallographica Section E","2008","64","12","o2498","","10.1107/S1600536808039706","","","0.71073","MoKα","","0.1083","0.0468","","","0.1059","0.125","","","","","","0.97","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220385","4.5359","0.0006","7.7","0.001","21.281","0.003","90","","90","","90","","743.27","0.17","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Chloro-2<i>H</i>-1,4-benzoxazin-3(4<i>H</i>)-one","","- C8 H6 Cl N O2 -","- C8 H6 Cl N O2 -","- C32 H24 Cl4 N4 O8 -","4","1","WN2285","Zhuang, Wen-Chang; Xie, Yong-Sheng","6-Chloro-2<i>H</i>-1,4-benzoxazin-3(4<i>H</i>)-one","Acta Crystallographica Section E","2008","64","12","o2369","","10.1107/S1600536808035599","","","0.71073","MoKα","","0.0455","0.0383","","","0.0854","0.0883","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220394","7.3177","0.0006","12.1022","0.0011","12.4672","0.0012","90","","90","","90","","1104.1","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(3-Nitrobenzylidene)aniline","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","ZL2143","Zaheer, Muhammad; Akhter, Zareen; Bolte, Michael; Siddiqi, Humaira M.","<i>N</i>-(3-Nitrobenzylidene)aniline","Acta Crystallographica Section E","2008","64","12","o2381","o2382","10.1107/S1600536808036970","","","0.71073","MoKα","","0.0391","0.0343","","","0.0908","0.0931","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220411","8.0984","0.0009","11.1594","0.0013","21.843","0.003","90","","90","","90","","1974","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-[(4-Amino-5-chloro-2-ethoxybenzamido)methyl]pyrrolo[2,1- <i>c</i>][1,4]oxazin-5-ium chloride monohydrate","","- C17 H27 Cl2 N3 O4 -","- C17 H27 Cl2 N3 O4 -","- C68 H108 Cl8 N12 O16 -","4","1","BI2322","Tong, Tai-Feng; Zhao, Jian; Cheng, Lin; Zhang, Yi-Hua","3-[(4-Amino-5-chloro-2-ethoxybenzamido)methyl]pyrrolo[2,1-<i>c</i>][1,4]oxazin-5-ium chloride monohydrate","Acta Crystallographica Section E","2009","65","1","o14","","10.1107/S160053680803986X","","","0.71073","MoKα","","0.0623","0.0503","","","0.0924","0.096","","","","","","1.058","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220416","9.5648","0.0006","11.1631","0.0006","11.5542","0.0006","90","","90","","90","","1233.67","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dehydrobrachylaenolide","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","BI2330","Rademeyer, M.; van Heerden, F. R.; van der Merwe, M. M.","Dehydrobrachylaenolide: an eudesmane-type sesquiterpene lactone","Acta Crystallographica Section E","2009","65","1","o196","","10.1107/S1600536808042402","","","0.71073","MoKα","","0.0397","0.0328","","","0.0916","0.095","","","","","","1.051","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220425","11.9654","0.0003","13.0262","0.0004","27.9441","0.0008","90","","90","","90","","4355.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-3-Hydroxy-13-methyl-16-[4-(methylsulfanyl)benzylidene]- 7,8,9,11,12,13,15,16-octahydro-6<i>H</i>-cyclopenta[<i>a</i>]phenanthren- 17(14<i>H</i>)-one","","- C26 H28 O2 S -","- C26 H28 O2 S -","- C208 H224 O16 S8 -","8","2","BT2822","Gunasekaran, B.; Murugan, R.; Narayanan, S. Sriman; Manivannan, V.","(<i>E</i>)-3-Hydroxy-13-methyl-16-[4-(methylsulfanyl)benzylidene]-7,8,9,11,12,13,15,16-octahydro-6<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17(14<i>H</i>)-one","Acta Crystallographica Section E","2009","65","1","o73","","10.1107/S1600536808040877","","","0.71073","MoKα","","0.085","0.0494","","","0.1192","0.1419","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220452","7.8588","0.0009","10.8265","0.0011","15.6196","0.0016","90","","90","","90","","1329","0.2","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-(<i>S</i>,<i>S</i>)-1,3-Bis[(tetrahydrofuran-2-yl)methyl]thiourea","","- C11 H20 N2 O2 S -","- C11 H20 N2 O2 S -","- C44 H80 N8 O8 S4 -","4","1","CI2734","Peña, Úlises; Bernès, Sylvain; Gutiérrez, René","(+)-(<i>S</i>,<i>S</i>)-1,3-Bis[(tetrahydrofuran-2-yl)methyl]thiourea","Acta Crystallographica Section E","2009","65","1","o96","","10.1107/S1600536808040373","","","0.71073","MoKα","","0.0653","0.0542","","","0.1525","0.1647","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220482","6.299","0.002","15.798","0.006","17.429","0.006","90","","90","","90","","1734.4","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5,7-Diallyloxy-2-phenyl benzopyran-4<i>H</i>-one","2-Phenyl-5,7-bis(prop-2-en-1-yloxy)-4<i>H</i>-chromen-4-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","FB2126","Nallasivam, Angannan; Nethaji, Munirathinam; Vembu, Nagarajan; Ragunathan, Venkatraman; Sulochana, Nagarajan","2-Phenyl-5,7-bis(prop-2-en-1-yloxy)-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2009","65","1","o1","","10.1107/S1600536808039743","","","0.71073","MoKα","","0.1056","0.0463","","","0.081","0.0977","","","","","","1.012","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220498","13.078","0.002","13.575","0.002","17.873","0.004","90","","90","","90","","3173.1","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{μ-<i>N</i>,<i>N</i>'-Bis[1-(2-pyridyl)ethylidene]benzene-1,2-diamine}di- μ-chlorido-bis[diaquanickel(II)] dichloride ethanol disolvate","","- C24 H38 Cl4 N4 Ni2 O6 -","- C24 H38 Cl4 N4 Ni2 O6 -","- C96 H152 Cl16 N16 Ni8 O24 -","4","1","HB2846","Tamboura, Farba Bouyagui; Gaye, Mohamed; Sall, Abdou Salam; Barry, Aliou Hamady; Bah, Youssouph","{μ-<i>N</i>,<i>N</i>'-Bis[1-(2-pyridyl)ethylidene]benzene-1,2-diamine}di-μ-chlorido-bis[diaquanickel(II)] dichloride ethanol disolvate","Acta Crystallographica Section E","2009","65","1","m100","m101","10.1107/S1600536808041299","","","0.71073","MoKα","","0.0658","0.0416","","","0.0874","0.0964","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220525","10.008","0.002","17.081","0.003","17.271","0.003","90","","90","","90","","2952.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,8aR)-2,2,6,6-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-1,3- dioxolo[4,5-<i>e</i>][1,3,2]dioxasilepine","","- C33 H34 O4 Si -","- C33 H34 O4 Si -","- C132 H136 O16 Si4 -","4","1","HG2455","Hijji, Yousef M.; Hudrlik, Paul F.; Hudrlik, Anne M.; Butcher, Ray J.; Jasinski, Jerry P.","(3a<i>R</i>,8a<i>R</i>)-2,2,6,6-Tetramethyl-4,4,8,8-tetraphenyltetrahydro-1,3-dioxolo[4,5-<i>e</i>][1,3,2]dioxasilepine","Acta Crystallographica Section E","2009","65","1","o135","","10.1107/S160053680804227X","","","0.71073","MoKα","","0.115","0.0544","","","0.0965","0.1191","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220550","7.404","0.002","10.024","0.002","17.072","0.003","90","","90","","90","","1267","0.5","298","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ethyl 3-bromo-1-(3-chloropyridin-2-yl)-1<i>H</i>-pyrazole-5-carboxylate","","- C11 H9 Br Cl N3 O2 -","- C11 H9 Br Cl N3 O2 -","- C44 H36 Br4 Cl4 N12 O8 -","4","1","IM2086","He, Hai-Bing; Liu, Shan; Tan, Hai-Jun; Xia, Ming; Zhu, Hong-Jun","Ethyl 3-bromo-1-(3-chloropyridin-2-yl)-1<i>H</i>-pyrazole-5-carboxylate","Acta Crystallographica Section E","2009","65","1","o95","","10.1107/S1600536808039329","","","0.71073","MoKα","","0.088","0.056","","","0.1159","0.1289","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220555","10.9802","0.0017","11.5607","0.0018","15.536","0.002","90","","90","","90","","1972.1","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Chloro-2-((1<i>R</i>)-1-{[(<i>R</i>)-(2- chlorophenyl)(cyclopentyl)methyl]amino}propyl)phenol","","- C21 H25 Cl2 N O -","- C21 H25 Cl2 N O -","- C84 H100 Cl8 N4 O4 -","4","1","IS2364","Zhang, Guang-You; Yang, Ting; Xu, Bao-Wang; Chen, Di-Juan; Wang, Wan-Hui","4-Chloro-2-((1<i>R</i>)-1-{[(<i>R</i>)-(2-chlorophenyl)(cyclopentyl)methyl]amino}propyl)phenol","Acta Crystallographica Section E","2009","65","1","o123","","10.1107/S1600536808042025","","","0.71073","MoKα","","0.0405","0.0353","","","0.0891","0.0925","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220560","5.9131","0.0003","8.0101","0.0004","24.9626","0.0013","90","","90","","90","","1182.34","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[(3-Hydroxypropyl)amino]-1-phenylbut-2-en-1-one","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","IS2371","Arul Jeevan, T. S.; Nagaraja, K. S.","3-[(3-Hydroxypropyl)amino]-1-phenylbut-2-en-1-one","Acta Crystallographica Section E","2009","65","1","o206","","10.1107/S1600536808043183","","","0.71073","MoKα","","0.0303","0.0278","","","0.0764","0.0791","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220564","9.5009","0.0003","14.1674","0.0004","14.2407","0.0005","90","","90","","90","","1916.84","0.11","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-phenyl-2-oxazoline- κ<i>N</i>)zinc(II)","","- C19 H23 N O5 Zn -","- C19 H23 N O5 Zn -","- C76 H92 N4 O20 Zn4 -","4","1","KJ2105","Río, Ignacio del; Gossage, Robert A.","The first oxazoline adduct of Zn(acac)~2~: bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2-phenyl-2-oxazoline-κ<i>N</i>)zinc(II)","Acta Crystallographica Section E","2009","65","1","m103","m104","10.1107/S1600536808042712","","","1.5418","CuKα","","0.0317","0.0302","","","0.0784","0.0798","","","","","","1.052","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220586","8.082","0.004","14.308","0.004","17.79","0.002","90","","90","","90","","2057.2","1.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(Diphenylvinylidene)-2,6-diisopropylaniline","","- C26 H27 N -","- C26 H27 N -","- C104 H108 N4 -","4","1","NC2125","Imhof, Wolfgang","<i>N</i>-(Diphenylvinylidene)-2,6-diisopropylaniline","Acta Crystallographica Section E","2009","65","1","o25","","10.1107/S1600536808040397","","","0.71073","MoKα","","0.0578","0.0403","","0.1332","","0.1028","","","","","","0.821","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220593","7.257","0.0007","8.9522","0.0008","14.293","0.0015","90","","90","","90","","928.56","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N4 S -","- C8 H8 N4 S -","- C32 H32 N16 S4 -","4","1","NG2524","Chohan, Zahid H.; Hanif, Muhammad; Tahir, M. Nawaz","<i>N</i>-[(<i>E</i>)-(5-Methylthiophen-2-yl)methylidene]-1<i>H</i>-1,2,4-triazol-3-amine","Acta Crystallographica Section E","2009","65","1","o117","","10.1107/S1600536808041494","","","0.71073","MoKα","","0.0435","0.0337","","","0.089","0.0972","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220624","5.6172","0.0009","10.146","0.0012","14.9899","0.0019","90","","90","","90","","854.3","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-Phenyltetrahydrofuran-2,5-dione","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","1","SI2139","Quan, Li; Yin, Handong","3-Phenyltetrahydrofuran-2,5-dione","Acta Crystallographica Section E","2009","65","1","o167","","10.1107/S1600536808042670","","","0.71073","MoKα","","0.074","0.0349","","","0.0574","0.0688","","","","","","1.142","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220628","5.7401","0.0001","10.4549","0.0002","18.2135","0.0003","90","","90","","90","","1093.03","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>R</i>)-2-[(4-Chlorophenyl)hydroxymethyl]cyclopentanone","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","SI2143","Deng, Dongsheng; Liu, Ping; Fu, Weijun; Ji, Baoming","(2<i>R</i>,3<i>R</i>)-2-[(4-Chlorophenyl)hydroxymethyl]cyclopentanone","Acta Crystallographica Section E","2009","65","1","o164","o165","10.1107/S160053680804261X","","","1.54178","CuKα","","0.0543","0.0462","","","0.1232","0.1678","","","","","","1.135","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220634","4.792","0.002","12.916","0.003","24.002","0.006","90","","90","","90","","1485.6","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-(2-Hydroxy-3-methoxybenzylidene)-1,3-benzodioxole-5-carbohydrazide monohydrate","","- C16 H16 N2 O6 -","- C16 H16 N2 O6 -","- C64 H64 N8 O24 -","4","1","SJ2559","Du, Chun-Lin","<i>N</i>'-(2-Hydroxy-3-methoxybenzylidene)-1,3-benzodioxole-5-carbohydrazide monohydrate","Acta Crystallographica Section E","2009","65","1","o29","","10.1107/S1600536808040117","","","0.71073","MoKα","","0.0395","0.0315","","","0.0716","0.0763","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220645","10.6258","0.0012","11.4825","0.0018","22.265","0.002","90","","90","","90","","2716.6","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,4<i>S</i>,8<i>R</i>,9<i>R</i>,12<i>S</i>,13<i>S</i>,14<i>R</i>, 16<i>S</i>,17<i>R</i>,19<i>R</i>)-17-[(Ethylsulfanyl)methyl]-9,14-dihydroxy- 7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0^1,13^.0^4,12^.0^8,12^] nonadecan-19-yl acetate acetone solvate","","- C27 H38 O9 S -","- C27 H38 O9 S -","- C108 H152 O36 S4 -","4","1","TK2336","Shi, Hao; Sun, Hong Xiang","(1<i>R</i>,4<i>S</i>,8<i>R</i>,9<i>R</i>,12<i>S</i>,13<i>S</i>,14<i>R</i>,16<i>S</i>,17<i>R</i>,19<i>R</i>)-17-[(Ethylsulfanyl)methyl]-9,14-dihydroxy-7,7-dimethyl-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.0^1,13^.0^4,12^.0^8,12^]nonadecan-19-yl acetate acetone solvate","Acta Crystallographica Section E","2009","65","1","o202","","10.1107/S1600536808043341","","","0.71073","MoKα","","0.082","0.044","","","0.094","0.112","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2220688","9.8265","0.0016","13.247","0.002","16.138","0.003","90","","90","","90","","2100.7","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4,4'-Di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(nitrato- κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C18 H24 Cu N4 O6 -","- C18 H24 Cu N4 O6 -","- C72 H96 Cu4 N16 O24 -","4","1","AT2708","Xiao, Xin; Rao, Zai-Ying; Zhang, Yun-Qiang; Xue, Sai-Feng; Tao, Zhu","(4,4'-Di-<i>tert</i>-butyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2009","65","2","m202","","10.1107/S1600536809001457","","","0.71073","MoKα","","0.0321","0.0296","","","0.0731","0.0744","","","","","","1.052","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220704","6.338","0.003","8.085","0.003","30.19","0.012","90","","90","","90","","1547","1.1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-2-phenyl-1<i>H</i>-benzimidazole","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","1","BI2334","Kong, Lingqian","1-Benzyl-2-phenyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2009","65","2","o316","","10.1107/S1600536809001238","","","0.71073","MoKα","","0.0689","0.0451","","","0.1033","0.1153","","","","","","1.141","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220721","11.1345","0.0012","11.5867","0.0012","17.0873","0.0019","90","","90","","90","","2204.5","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridoplatinum(IV) dichloride monohydrate","","- C20 H18 Cl4 N4 O Pt -","- C20 H18 Cl4 N4 O Pt -","- C80 H72 Cl16 N16 O4 Pt4 -","4","1","BT2846","Kim, Nam-Ho; Hwang, In-Chul; Ha, Kwang","Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridoplatinum(IV) dichloride monohydrate","Acta Crystallographica Section E","2009","65","2","m180","","10.1107/S1600536809000725","","","0.71073","MoKα","","0.0166","0.0155","","","0.0373","0.0378","","","","","","0.841","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220725","6.3969","0.0005","8.8767","0.0006","23.082","0.002","90","","90","","90","","1310.67","0.18","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2,3-Dimethylphenyl)benzenesulfonamide","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C56 H60 N4 O8 S4 -","4","1","BT2853","Gowda, B. Thimme; Foro, Sabine; Babitha, K. S.; Fuess, Hartmut","<i>N</i>-(2,3-Dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2009","65","2","o366","","10.1107/S1600536809002098","","","0.71073","MoKα","","0.0434","0.034","","","0.0883","0.0935","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220765","8.5313","0.0005","15.3141","0.001","44.004","0.003","90","","90","","90","","5749.1","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-{1,8-Bis[(<i>R</i>)-α-methylbenzyl]-1,3,6,8,10,13- hexaazacyclotetradecane}dithiocyanatonickel(II)","","- C26 H38 N8 Ni S2 -","- C26 H38 N8 Ni S2 -","- C208 H304 N64 Ni8 S16 -","8","2","EZ2157","Shin, Jong Won; Min, Kil Sik","<i>trans</i>-{1,8-Bis[(<i>R</i>)-α-methylbenzyl]-1,3,6,8,10,13-hexaazacyclotetradecane}dithiocyanatonickel(II)","Acta Crystallographica Section E","2009","65","2","m234","","10.1107/S1600536809002700","","","0.71073","MoKα","","0.1332","0.0571","","","0.1088","0.1491","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220851","7.0569","0.0004","12.3209","0.0008","17.9698","0.0012","90","","90","","90","","1562.43","0.17","170","2","170","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-Bis(acetonitrile-κ<i>N</i>)tetraaquacobalt(II) tetrachloridocobaltate(II)","","- C4 H14 Cl4 Co2 N2 O4 -","- C4 H14 Cl4 Co2 N2 O4 -","- C16 H56 Cl16 Co8 N8 O16 -","4","1","KP2200","Patroniak, Violetta; Kubicki, Maciej","<i>trans</i>-Bis(acetonitrile-κ<i>N</i>)tetraaquacobalt(II) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2009","65","2","m173","m174","10.1107/S1600536809000750","","","0.71073","MoKα","","0.0685","0.0641","","","0.1593","0.1635","","","","","","1.034","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220853","7.12255","0.00013","8.92296","0.00015","13.7943","0.00018","90","","90","","90","","876.69","0.02","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,6-dimethoxybenzoic acid","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","1","KP2203","Portalone, Gustavo","Redetermination of 2,6-dimethoxybenzoic acid","Acta Crystallographica Section E","2009","65","2","o327","o328","10.1107/S1600536809001408","","","0.71073","MoKα","","0.0425","0.0422","","","0.1096","0.1099","","","","","","1.251","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220859","8.644","0.0001","13.4195","0.0002","15.9146","0.0003","90","","90","","90","","1846.06","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Azido-<i>N</i>,<i>N</i>-diethyl-4,5-<i>O</i>-isopropylidene-4-<i>C</i>- methyl-3,6-anhydro-7-deoxy-D-<i>glycero</i>-<i>D</i>-<i>manno</i>-heptonamide","","- C15 H26 N4 O5 -","- C15 H26 N4 O5 -","- C60 H104 N16 O20 -","4","1","LH2750","Jenkinson, Sarah F.; Wang, Chen; Pino-González, Maria-Soledad; Fleet, George W. J.; Watkin, David J.","7-Azido-<i>N</i>,<i>N</i>-diethyl-4,5-<i>O</i>-isopropylidene-4-<i>C</i>-methyl-3,6-anhydro-7-deoxy-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>manno</i>-heptonamide","Acta Crystallographica Section E","2009","65","2","o263","","10.1107/S1600536808044279","","","0.71073","MoKα","","0.0545","0.0485","","0.1396","0.132","0.1292","","","","","","1.0157","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2220862","10.9214","0.0006","18.3856","0.001","18.6714","0.0011","90","","90","","90","","3749.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{(+)-(1<i>R</i>,2<i>R</i>)-1,2-Diphenyl-2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato}dipyridinecobalt(III) perchlorate sesquihydrate","","- C38 H35 Cl Co N4 O7.5 -","- C38 H35 Cl Co N4 O7.5 -","- C152 H140 Cl4 Co4 N16 O30 -","4","1","LH2754","Zhou, Lian-Wen","{(+)-(1<i>R</i>,2<i>R</i>)-1,2-Diphenyl-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}dipyridinecobalt(III) perchlorate sesquihydrate","Acta Crystallographica Section E","2009","65","2","m226","","10.1107/S1600536809002293","","","0.71073","MoKα","","0.0929","0.05","","","0.1078","0.1267","","","","","","0.994","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2220886","7.2486","0.001","11.6637","0.0017","15.598","0.002","90","","90","","90","","1318.7","0.3","89","2","89","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-4-Chloro-<i>N</i>-[(<i>E</i>)-2-methyl-3-phenylallylidene]aniline","","- C16 H14 Cl N -","- C16 H14 Cl N -","- C64 H56 Cl4 N4 -","4","1","PK2147","Khalaji, Aliakbar D.; Simpson, Jim","(<i>E</i>)-4-Chloro-<i>N</i>-[(<i>E</i>)-2-methyl-3-phenylallylidene]aniline","Acta Crystallographica Section E","2009","65","2","o362","","10.1107/S1600536809001871","","","0.71073","MoKα","","0.0483","0.0394","","","0.1033","0.1086","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220891","6.4675","0.0008","10.0007","0.0013","20.108","0.003","90","","90","","90","","1300.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>)-6-(4-Bromophenyl)-5-\ nitrobicyclo[2.2.2]octan-2-one","","- C14 H14 Br N O3 -","- C14 H14 Br N O3 -","- C56 H56 Br4 N4 O12 -","4","1","PV2129","Xia, Aibao; Tang, Jie; Wang, Yifeng; Jiang, Junrong; Luo, Shuping","(1<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>)-6-(4-Bromophenyl)-5-nitrobicyclo[2.2.2]octan-2-one","Acta Crystallographica Section E","2009","65","2","o326","","10.1107/S1600536809001275","","","0.71073","MoKα","","0.0495","0.0383","","","0.0817","0.084","","","","","","0.903","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220921","8.5023","0.0002","13.5405","0.0002","19.7127","0.0004","90","","90","","90","","2269.43","0.08","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Preaustinoid A","methyl 15-hydroxy-2,6,6,10,13,15-hexamethyl-17-methylene-7,14,16- trioxotetracyclo[11.3.1.0^2,11^.0^5,10^]heptadecane-1-carboxylate","","- C26 H36 O6 -","- C26 H36 O6 -","- C104 H144 O24 -","4","1","TK2346","Maganhi, Stella H.; Fill, Taicia Pacheco; Rodrigues-Fo, Edson; Caracelli, Ignez; Zukerman-Schpector, Julio","Preaustinoid A: a meroterpene produced by <i>Penicillium sp</i>.","Acta Crystallographica Section E","2009","65","2","o221","","10.1107/S1600536808043481","","","0.71073","MoKα","","0.0407","0.036","","","0.09","0.093","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220930","8.7724","0.0001","10.2079","0.0001","11.9942","0.0001","90","","90","","90","","1074.05","0.018","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(4-Nitrophenyl)-1,3-dithiane","","- C10 H11 N O2 S2 -","- C10 H11 N O2 S2 -","- C40 H44 N4 O8 S8 -","4","1","TK2357","Fun, Hoong-Kun; Kia, Reza; Maity, Annada C.; Goswami, Shyamaprosad","2-(4-Nitrophenyl)-1,3-dithiane","Acta Crystallographica Section E","2009","65","2","o348","","10.1107/S1600536809001809","","","0.71073","MoKα","","0.026","0.024","","","0.06","0.061","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220934","5.1589","0.0002","15.143","0.0004","18.6367","0.0006","90","","90","","90","","1455.92","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","WK2093","Luo, Shu-Na; Chen, Lu; Gao, Yu-Xing; Xu, Peng-Xiang; Zhao, Yu-Fen","(<i>S</i>)-Benzyl 2-amino-3-(4-hydroxyphenyl)propanoate","Acta Crystallographica Section E","2009","65","2","o270","","10.1107/S1600536808044218","","","0.71073","MoKα","","0.054","0.032","","","0.068","0.076","","","","","","0.929","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2220956","9.508","0.0012","11.819","0.0016","21.395","0.003","90","","90","","90","","2404.3","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O9 -","- C24 H27 N O9 -","- C96 H108 N4 O36 -","4","1","ZL2144","Pampín, Begoña; Valencia, Laura; Estévez, Juan C.; Estévez, Ramón J.","3-<i>O</i>-Benzyl-6-<i>O</i>-benzoyl-1,2-<i>O</i>-isopropilidene-5-<i>C</i>-nitromethyl-<i>a</i>-<small>D</small>-glucofuranose","Acta Crystallographica Section E","2009","65","2","o332","o333","10.1107/S1600536808043353","","","0.71069","MoKα","","0.0846","0.0471","","","0.1044","0.1308","","","","","","1.096","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221023","11.3512","0.0006","11.782","0.0006","12.8045","0.0006","90","","90","","90","","1712.47","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-[<i>N</i>-(2-formylphenyl)benzenesulfonamido]acetate","","- C17 H17 N O5 S -","- C17 H17 N O5 S -","- C68 H68 N4 O20 S4 -","4","1","CI2739","Ranjith, S.; Sugumar, P.; Sureshbabu, R.; Mohanakrishnan, A. K.; Ponnuswamy, M. N.","Ethyl 2-[<i>N</i>-(2-formylphenyl)benzenesulfonamido]acetate","Acta Crystallographica Section E","2009","65","3","o483","","10.1107/S160053680900292X","","","0.71073","MoKα","","0.0796","0.0418","","","0.0958","0.1094","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221025","7.5026","0.0005","9.454","0.0008","21.4408","0.0013","90","","90","","90","","1520.79","0.19","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(4-Ethylphenyl)iminomethyl]-3,5-dimethoxyphenol","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","CI2762","Şahin, Zarife Sibel; Erşahin, Ferda; Ağar, Ayşen Alaman; Işık, Şamil","2-[(4-Ethylphenyl)iminomethyl]-3,5-dimethoxyphenol","Acta Crystallographica Section E","2009","65","3","o547","","10.1107/S1600536809004784","","","0.71073","MoKα","","0.0898","0.04","","","0.066","0.0771","","","","","","0.917","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221026","11.3442","0.0005","11.7731","0.0006","12.7809","0.0006","90","","90","","90","","1706.97","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","sulfonamides","Ethyl 2-[<i>N</i>-(2-Formylphenyl)benzenesulfonamido]acetate","","- C17 H17 N O5 S -","- C17 H17 N O5 S -","- C68 H68 N4 O20 S4 -","4","1","CI2763","Seshadri, P. R.; Balakrishnan, B.; Ilangovan, K.; Sureshbabu, R.; Mohanakrishnan, A. K.","Ethyl 2-[<i>N</i>-(2-Formylphenyl)benzenesulfonamido]acetate","Acta Crystallographica Section E","2009","65","3","o530","","10.1107/S1600536809004413","","","0.71073","MoKα","","0.0505","0.0359","","","0.0834","0.0921","","","","","","0.947","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221097","8.583","0.0003","9.0966","0.0003","18.3329","0.0007","90","","90","","90","","1431.36","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(<i>N</i>-methoxycarbonylmethyl-<i>N</i>-methylsulfamoyl)benzoate","","- C12 H15 N O6 S -","- C12 H15 N O6 S -","- C48 H60 N4 O24 S4 -","4","1","HK2618","Ahmad, Naeem; Tahir, M. Nawaz; Shahwar, Durre; Khan, Muhammad Akmal; Sana, Uzma","Methyl 2-(<i>N</i>-methoxycarbonylmethyl-<i>N</i>-methylsulfamoyl)benzoate","Acta Crystallographica Section E","2009","65","3","o449","","10.1107/S1600536809003742","","","0.71073","MoKα","","0.0685","0.0398","","","0.0864","0.0977","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221101","8.568","0.0017","11.152","0.002","14.232","0.003","90","","90","","90","","1359.9","0.5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Phenyl <i>N</i>-[4-chloro-3-(trifluoromethyl)phenyl]carbamate","","- C14 H9 Cl F3 N O2 -","- C14 H9 Cl F3 N O2 -","- C56 H36 Cl4 F12 N4 O8 -","4","1","HK2623","Tang, Hai-Tao; Fang, Zheng","Phenyl <i>N</i>-[4-chloro-3-(trifluoromethyl)phenyl]carbamate","Acta Crystallographica Section E","2009","65","3","o537","","10.1107/S1600536809004942","","","0.71073","MoKα","","0.0973","0.0662","","","0.1623","0.1881","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221110","5.544","0.001","11.276","0.002","20.369","0.004","90","","90","","90","","1273.4","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-Butyl-9<i>H</i>-carbazole","","- C16 H17 N -","- C16 H17 N -","- C64 H68 N4 -","4","1","IM2093","Chen, Lei; Cheng, Wei; Song, Guang-Liang; Zhu, Hong-Jun","9-Butyl-9<i>H</i>-carbazole","Acta Crystallographica Section E","2009","65","3","o574","","10.1107/S1600536809005583","","","0.71073","MoKα","","0.0836","0.0589","","","0.129","0.1465","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221120","5.9318","0.0019","16.514","0.003","22.574","0.009","90","","90","","90","","2211.3","1.2","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","para-Ethylphenol","4-Ethylphenol","","- C8 H10 O -","- C8 H10 O -","- C96 H120 O12 -","12","3","JH2071","Betz, Richard; Klüfers, Peter; Mayer, Peter","4-Ethylphenol","Acta Crystallographica Section E","2009","65","3","o544","","10.1107/S1600536809005108","","","0.71073","MoKα","","0.0758","0.0348","","","0.0736","0.0852","","","","","","0.912","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221123","13.3013","0.0002","14.2333","0.0002","15.6694","0.0003","90","","90","","90","","2966.55","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2,4-Bis(diphenylphosphino)pentane- κ^2^<i>P</i>,<i>P</i>']tetracarbonylchromium(0)","","- C33 H30 Cr O4 P2 -","- C33 H30 Cr O4 P2 -","- C132 H120 Cr4 O16 P8 -","4","1","KJ2106","Shawkataly, Omar bin; Thangadurai, Daniel T.; Pankhi, Mohd. Aslam A.; Shahinoor Dulal Islam, S. M.; Fun, Hoong-Kun","[1,3-Bis(diphenylphosphino)pentane-κ^2^<i>P</i>,<i>P</i>']tetracarbonylchromium(0)","Acta Crystallographica Section E","2009","65","3","m250","m251","10.1107/S1600536809001202","","","0.71073","MoKα","","0.0409","0.0306","","","0.0673","0.0721","","","","","","1.026","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221129","7.0386","0.0006","9.5752","0.001","18.4041","0.0018","90","","90","","90","","1240.4","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin-4-ium chloride dihydrate","","- C11 H17 Cl N2 O3 -","- C11 H17 Cl N2 O3 -","- C44 H68 Cl4 N8 O12 -","4","1","LH2765","Khan, Amir Muhammad; Abbas, Ghulam; Qureshi, Rizwana Aleem; Khan, Uzma; Ghufran, Muhammad Asad; Stoeckli-Evans, Helen","3-Hydroxy-1,2,3,9-tetrahydropyrrolo[2,1-<i>b</i>]quinazolin-4-ium chloride dihydrate: (+)-vasicinol hydrochloride dihydrate from <i>Peganum harmala</i> L","Acta Crystallographica Section E","2009","65","3","o474","o475","10.1107/S1600536809003766","","","0.71073","MoKα","","0.0444","0.0286","","","0.0576","0.0606","","","","","","0.898","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221195","11.0333","0.001","13.1892","0.0012","21.4784","0.0017","90","","90","","90","","3125.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-Bis[1,3-bis(2-methoxyphenyl)triazenido]dimethanolcadmium(II)","","- C30 H36 Cd N6 O6 -","- C30 H36 Cd N6 O6 -","- C120 H144 Cd4 N24 O24 -","4","1","SU2094","Rofouei, Mohammad Kazem; Melardi, Mohammad Reza; Khalili Ghaydari, Hamid Reza; Barkhi, Mohammad","<i>trans</i>-Bis[1,3-bis(2-methoxyphenyl)triazenido]dimethanolcadmium(II)","Acta Crystallographica Section E","2009","65","3","m351","","10.1107/S160053680900676X","","","0.71073","MoKα","","0.0585","0.0546","","","0.1295","0.1319","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221208","5.0037","0.0004","11.589","0.001","15.546","0.002","90","","90","","90","","901.48","0.16","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Dichloronaphthalene-2,3-diol","","- C10 H6 Cl2 O2 -","- C10 H6 Cl2 O2 -","- C40 H24 Cl8 O8 -","4","1","TK2370","Ahn, Paul D.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","1,4-Dichloronaphthalene-2,3-diol","Acta Crystallographica Section E","2009","65","3","o636","","10.1107/S1600536809004310","","","1.54184","CuKα","","","0.022","","","","0.034","","","","","","1.38","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221210","6.373","0.002","12.802","0.004","26.775","0.009","90","","90","","90","","2184.5","1.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-<i>tert</i>-Butyl-5α-androstane-17β-carboxamide","","- C24 H41 N O -","- C24 H41 N O -","- C96 H164 N4 O4 -","4","1","TK2372","Yan, Xin; Xu, Shiqing; Wang, Jingmei; Chen, Ying; Xia, Peng","<i>N</i>-<i>tert</i>-Butyl-5α-androstane-17β-carboxamide","Acta Crystallographica Section E","2009","65","3","o587","","10.1107/S1600536809005741","","","0.71073","MoKα","","0.082","0.037","","","0.063","0.068","","","","","","0.75","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221212","11.2152","0.0004","13.287","0.0005","14.3914","0.0007","90","","90","","90","","2144.55","0.15","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Neoaustin","(1'<i>S</i>,2'<i>R</i>,3<i>S</i>,7'<i>R</i>,9'<i>S</i>,11'<i>S</i>, 12'<i>R</i>)-11'-hydroxy-2,2,2',9',12'-pentamethyl-6',15'-dimethylene-2,6- dihydro-13'-oxaspiro[pyran-3,5'-tetracyclo[7.5.1.0^1,11^.0^2,7^]pentadecane]- 6,10',14'-trione","","- C25 H30 O6 -","- C25 H30 O6 -","- C100 H120 O24 -","4","1","TK2374","Zukerman-Schpector, Julio; Maganhi, Stella H.; Fill, Taicia Pacheco; Rodrigues-Fo, Edson; Caracelli, Ignez","Neoaustin: a meroterpene produced by <i>Penicillium sp</i>.","Acta Crystallographica Section E","2009","65","3","o612","","10.1107/S1600536809006618","","","0.71073","MoKα","","0.042","0.039","","","0.104","0.106","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221213","6.6209","0.0004","14.0757","0.0009","14.6793","0.001","90","","90","","90","","1368.02","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-<i>N</i>-Methyl-4-[2-(methylsulfanyl)pyrimidin-4-yl]-1- (tetrahydrofuran-3-yl)-1<i>H</i>-pyrazol-5-amine","","- C13 H17 N5 O S -","- C13 H17 N5 O S -","- C52 H68 N20 O4 S4 -","4","1","TK2375","Liu, Zhengyu; Liu, Kevin K.-C.; Elleraas, Jeff; Rheingold, Arnold L.; DiPasquale, Antonio; Yanovsky, Alex","(<i>R</i>)-<i>N</i>-Methyl-4-[2-(methylsulfanyl)pyrimidin-4-yl]-1-(tetrahydrofuran-3-yl)-1<i>H</i>-pyrazol-5-amine","Acta Crystallographica Section E","2009","65","3","o616","","10.1107/S1600536809006369","","","1.54178","CuKα","","0.021","0.021","","","0.056","0.057","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221224","8.5906","0.0017","11.594","0.002","17.404","0.004","90","","90","","90","","1733.4","0.6","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(4-Methoxyphenoxy)-6-methyl-3-oxo-3,6-dihydro-2<i>H</i>-pyran-4-yl benzoate","","- C20 H18 O6 -","- C20 H18 O6 -","- C80 H72 O24 -","4","1","XU2467","Yan, Shi-qiang; Liang, Xiao-mei; Zhang, Jian-jun; Wang, Dao-quan","2-(4-Methoxyphenoxy)-6-methyl-3-oxo-3,6-dihydro-2<i>H</i>-pyran-4-yl benzoate","Acta Crystallographica Section E","2009","65","3","o586","","10.1107/S1600536809004231","","","0.71073","MoKα","","0.0595","0.0342","","","0.0503","0.0548","","","","","","0.867","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221227","7.7879","0.0003","12.6502","0.0006","23.6491","0.0014","90","","90","","90","","2329.9","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,5-Dibenzoyl-2,6-dimethyl-1-pentyl-4-pyridone","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C104 H108 N4 O12 -","4","1","XU2481","Şahin, Zarife Sibel; Işık, Şamil; Şener, Ahmet; Tan, Meltem","3,5-Dibenzoyl-2,6-dimethyl-1-pentyl-4-pyridone","Acta Crystallographica Section E","2009","65","3","o619","","10.1107/S1600536809006667","","","0.71073","MoKα","","0.1622","0.1029","","","0.2766","0.3161","","","","","","0.97","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221246","5.6687","0.0001","7.7919","0.0002","41.5932","0.0009","90","","90","","90","","1837.17","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>'-Bis(4-bromobenzylidene)-2,2-dimethylpropane-1,3-diamine","","- C19 H20 Br2 N2 -","- C19 H20 Br2 N2 -","- C76 H80 Br8 N8 -","4","1","AT2737","Kia, Reza; Fun, Hoong-Kun; Kargar, Hadi","<i>N</i>,<i>N</i>'-Bis(4-bromobenzylidene)-2,2-dimethylpropane-1,3-diamine","Acta Crystallographica Section E","2009","65","4","o747","","10.1107/S1600536809008113","","","0.71073","MoKα","","0.0533","0.0365","","","0.0743","0.0785","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221252","7.1424","0.0001","8.6016","0.0001","24.5049","0.0002","90","","90","","90","","1505.48","0.03","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-Pyrene-1-yl-[1,3]dithiane","2-(Pyrene-1-yl)-1,3-dithiane","","- C20 H16 S2 -","- C20 H16 S2 -","- C80 H64 S8 -","4","1","AT2745","Fun, Hoong-Kun; Jebas, Samuel Robinson; Maity, Annada C.; Das, Nirmal K.; Goswami, Shyamaprasad","2-(Pyrene-1-yl)-1,3-dithiane","Acta Crystallographica Section E","2009","65","4","o891","","10.1107/S1600536809010320","","","0.71073","MoKα","","0.0508","0.04","","","0.0862","0.0918","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221254","9.1817","0.0001","10.7806","0.0002","21.7817","0.0003","90","","90","","90","","2156.04","0.06","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,5,7,8,17-pentahydroxy-14,18-dimethyl-6-methylene-3,10-dioxapentacyclo [9.8.0.0^1,7^.0^4,19^.0^13,18^]nonadec-14-ene-9,16-dione methanol solvate dihydrate","","- C21 H32 O12 -","- C21 H32 O12 -","- C84 H128 O48 -","4","1","AT2747","Teh, Chin Hoe; Teoh, Siew Chin; Yeap, Chin Sing; Chan, Kit Lam; Fun, Hoong-Kun","4,5,7,8,17-Pentahydroxy-14,18-dimethyl-6-methylene-3,10-dioxapentacyclo[9.8.0.0^1,7^.0^4,19^.0^13,18^]nonadec-14-ene-9,16-dione methanol solvate dihydrate","Acta Crystallographica Section E","2009","65","4","o898","o899","10.1107/S1600536809010502","","","0.71073","MoKα","","0.0474","0.0432","","","0.1191","0.127","","","","","","1.092","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221356","6.995","0.0014","12.18","0.002","20.77","0.004","90","","90","","90","","1769.6","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4-Bis(3-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-one","","- C20 H19 Cl2 N O -","- C20 H19 Cl2 N O -","- C80 H76 Cl8 N4 O4 -","4","1","GW2060","Parthiban, P.; Ramkumar, V.; Santan, H. D.; Kim, Jong Tae; Jeong, Yeon Tae","2,4-Bis(3-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2009","65","4","o840","","10.1107/S1600536809009945","","","0.71073","MoKα","","0.0868","0.0405","","","0.073","0.0839","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221389","6.5604","0.0002","10.4082","0.0003","29.1382","0.0011","90","","90","","90","","1989.61","0.11","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7α-Methoxycarbonyl-6,7,8,14-tetrahydro-6,14-<i>endo</i>-ethenothebaine","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C92 H108 N4 O20 -","4","1","HK2636","Odabaşoğlu, Mustafa; Yavuz, Serkan; Pamir, Özgür; Yıldırır, Yılmaz; Büyükgüngör, Orhan","7α-Methoxycarbonyl-6,7,8,14-tetrahydro-6,14-<i>endo</i>-ethenothebaine","Acta Crystallographica Section E","2009","65","4","o864","","10.1107/S1600536809009362","","","0.71073","MoKα","","0.0358","0.0324","","","0.0834","0.0851","","","","","","1.059","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221397","9.457","0.0019","14.293","0.003","20.251","0.004","90","","90","","90","","2737.3","1","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>SP</i>-4-4)-[Hydrogen <i>N</i>-({2-[(2<i>S</i>)-(1-benzylpyrrolidine-2- carboxamido]phenyl}(phenyl)methylene)-L-glutamato(2-)]nickel(II)","","- C30 H29 N3 Ni O5 -","- C30 H29 N3 Ni O5 -","- C120 H116 N12 Ni4 O20 -","4","1","HK2646","Zhou, Jia-Dong; Cao, Fei; Ying, Han-Jie; Wei, Ping","(<i>SP</i>-4-4)-[Hydrogen <i>N</i>-({2-[(2<i>S</i>)-1-benzylpyrrolidine-2-carboxamido]phenyl}(phenyl)methylene)-<small>L</small>-glutamato(2{-})]nickel(II)","Acta Crystallographica Section E","2009","65","4","m453","m454","10.1107/S1600536809010861","","","0.71073","MoKα","","0.0618","0.0473","","","0.1275","0.143","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221412","6.001","0.0017","15.659","0.003","20.746","0.004","90","","90","","90","","1949.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'<i>S</i>,2<i>R</i>,3<i>R</i>)-(-)-2-Hydroxy-3-morpholino-3-phenyl- <i>N</i>-(1'-phenylethyl)propionamide","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C84 H104 N8 O12 -","4","1","IS2398","Mendoza, Angel; Aparicio, David M.; Terán, Joel L.; Gnecco, Dino; Juárez, Jorge R.","(1'<i>S</i>,2<i>R</i>,3<i>R</i>)-({-})-2-Hydroxy-3-morpholino-3-phenyl-<i>N</i>-(1'-phenylethyl)propionamide","Acta Crystallographica Section E","2009","65","4","o743","","10.1107/S1600536809008198","","","0.71073","MoKα","","0.154","0.0544","","","0.1179","0.1634","","","","","","0.89","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221413","5.5618","0.0005","10.9915","0.0008","25.045","0.002","90","","90","","90","","1531.1","0.2","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,4-Dichloro-<i>N</i>-phenethylbenzenesulfonamide","","- C14 H13 Cl2 N O2 S -","- C14 H13 Cl2 N O2 S -","- C56 H52 Cl8 N4 O8 S4 -","4","1","IS2402","Babu, C. Suneel Manohar; Kavitha, Helen P.; Kavipriya, R.; Vennila, Jasmine P.; Manivannan, V.","2,4-Dichloro-<i>N</i>-phenethylbenzenesulfonamide","Acta Crystallographica Section E","2009","65","4","o921","","10.1107/S1600536809010927","","","0.71073","MoKα","","0.05","0.0399","","","0.0984","0.1041","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221419","6.276","0.0002","11.7272","0.0019","25.0888","0.0009","90","","90","","90","","1846.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3α,4α-Epoxy-5α-androstan-17β-yl acetate","","- C21 H32 O3 -","- C21 H32 O3 -","- C84 H128 O12 -","4","1","KP2201","Andrade, L. C.R.; Paixão, J. A.; de Almeida, M.J.M.; Fernandes Roleira, F. M.; Tavares da Silva, E. J.","3α,4α-Epoxy-5α-androstan-17β-yl acetate","Acta Crystallographica Section E","2009","65","4","o814","","10.1107/S160053680900899X","","","1.5418","CuKα","","0.0658","0.0435","","","0.1215","0.1353","","","","","","1.031","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221470","5.796","0.0012","9.924","0.002","20.209","0.004","90","","90","","90","","1162.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(4-Ethoxybenzyl)-1,3-oxazolidin-2-one","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","PV2144","Wang, Hong-Yong; Xie, Min-Hao; Luo, Shi-Neng; He, Yong-Jun; Zou, Pei","4-(4-Ethoxybenzyl)-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2009","65","4","o805","","10.1107/S160053680900957X","","","0.71073","MoKα","","0.0684","0.0434","","","0.1318","0.1497","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221479","9.848","0.003","11.515","0.003","23.25","0.004","90","","90","","90","","2636.5","1.2","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[4-(2,3,4,6-Tetra-<i>O</i>-acetyl-β-D- allopyranosyloxy)benzylidene]thiosemicarbazide","","- C22 H27 N3 O10 S -","- C22 H27 N3 O10 S -","- C88 H108 N12 O40 S4 -","4","1","RZ2297","Fu, Li; Yin, Xiu-juan; Zheng, Lei; Li, Ying; Yin, Shu-fan","1-[4-(2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-allopyranosyloxy)benzylidene]thiosemicarbazide","Acta Crystallographica Section E","2009","65","4","o679","","10.1107/S1600536809007260","","","0.71073","MoKα","","0.1368","0.062","","","0.1553","0.1952","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221492","5.2901","0.0002","6.6435","0.0003","31.7823","0.0011","90","","90","","90","","1116.98","0.08","89","2","89","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Fluoro-<i>N</i>-(4-methoxyphenyl)benzamide","","- C14 H12 F N O2 -","- C14 H12 F N O2 -","- C56 H48 F4 N4 O8 -","4","1","SI2159","Saeed, Aamer; Khera, Rasheed Ahmad; Arfan, Madiah; Simpson, Jim; Stanley, Roderick G.","2-Fluoro-<i>N</i>-(4-methoxyphenyl)benzamide","Acta Crystallographica Section E","2009","65","4","o802","o803","10.1107/S1600536809008927","","","0.71073","MoKα","","0.0399","0.0345","","","0.0924","0.0956","","","","","","1.064","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221503","7.2081","0.0001","16.5546","0.0003","17.6747","0.0002","90","","90","","90","","2109.07","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>R</i>,<i>Rp</i>)-<i>N</i>,<i>N</i>-Dimethyl-1-{2-[(1- phenylethyl)aminomethyl]ferrocenyl}ethanamine","","- C23 H30 Fe N2 -","- C23 H30 Fe N2 -","- C92 H120 Fe4 N8 -","4","1","SJ2592","Zheng, Xiu-Li; Liu, Jin-Ting","(<i>S</i>,<i>R</i>,<i>Rp</i>)-<i>N</i>,<i>N</i>-Dimethyl-1-{2-[(1-phenylethyl)aminomethyl]ferrocenyl}ethanamine","Acta Crystallographica Section E","2009","65","4","m432","","10.1107/S1600536809008861","","","0.71073","MoKα","","0.0425","0.0321","","","0.0809","0.0853","","","","","","1.04","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221550","6.9146","0.001","7.8048","0.0011","19.448","0.003","90","","90","","90","","1049.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,5<i>R</i>)-1-(4-Fluorophenyl)-3-azoniabicyclo[3.1.0]hexane chloride","","- C11 H13 Cl F N -","- C11 H13 Cl F N -","- C44 H52 Cl4 F4 N4 -","4","1","XU2479","Görbitz, Carl Henrik; Hansen, Tore; Vestli, Kristian","(1<i>S</i>,5<i>R</i>)-1-(4-Fluorophenyl)-3-azoniabicyclo[3.1.0]hexane chloride","Acta Crystallographica Section E","2009","65","4","o677","","10.1107/S1600536809006953","","","0.71073","MoKα","","0.0259","0.0254","","","0.0657","0.0661","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221551","7.0597","0.0004","11.1343","0.0007","12.6756","0.0008","90","","90","","90","","996.36","0.11","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,5R)-1-(3,4-dichlorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one","","- C11 H8 Cl2 O2 -","- C11 H8 Cl2 O2 -","- C44 H32 Cl8 O8 -","4","1","XU2480","Görbitz, Carl Henrik; Hansen, Tore; Vestli, Kristian","(1<i>S</i>,5<i>R</i>)-1-(3,4-Dichlorophenyl)-3-oxabicyclo[3.1.0]hexan-2-one","Acta Crystallographica Section E","2009","65","4","o686","","10.1107/S1600536809007533","","","0.71073","MoKα","","0.025","0.0241","","","0.0629","0.0634","","","","","","1.103","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221585","7.3212","0.0016","7.9193","0.0016","14.254","0.003","90","","90","","90","","826.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>S</i>)-2-(1<i>H</i>-Imidazol-1-yl)succinic acid","(<i>S</i>)-3-carboxy-2-(imidazol-3-ium-1-yl)propanoate","","- C7 H8 N2 O4 -","- C7 H8 N2 O4 -","- C28 H32 N8 O16 -","4","1","BG2234","Xiao, Jing-Mei","(<i>S</i>)-2-(1<i>H</i>-Imidazol-1-yl)succinic acid","Acta Crystallographica Section E","2009","65","5","o1157","","10.1107/S1600536809015220","","","0.71073","MoKα","","0.0614","0.0497","","","0.1285","0.1512","","","","","","1.122","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221587","8.2309","0.0003","11.0845","0.0003","11.8443","0.0004","90","","90","","90","","1080.62","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Piperazinediium tetrachloridozincate(II)","","- C4 H12 Cl4 N2 Zn -","- C4 H12 Cl4 N2 Zn -","- C16 H48 Cl16 N8 Zn4 -","4","1","BG2253","Sutherland, Pamela A.; Harrison, William T. A.","Piperazinediium tetrachloridozincate(II)","Acta Crystallographica Section E","2009","65","5","m565","","10.1107/S1600536809013981","","","0.71073","MoKα","","0.048","0.0424","","","0.0903","0.0937","","","","","","1.075","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221601","3.9722","0.0001","11.9458","0.0003","24.9407","0.0005","90","","90","","90","","1183.46","0.05","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-Dichlorophenyl benzoate","","- C13 H8 Cl2 O2 -","- C13 H8 Cl2 O2 -","- C52 H32 Cl8 O8 -","4","1","BT2919","Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Suchetan, P. A.; Fuess, Hartmut","2,4-Dichlorophenyl benzoate","Acta Crystallographica Section E","2009","65","5","o947","","10.1107/S1600536809011763","","","0.71073","MoKα","","0.0289","0.0233","","","0.0567","0.0587","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221602","9.6739","0.0017","10.0995","0.0018","17.929","0.003","90","","90","","90","","1751.7","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-5-Hexyl-1-[(<i>S</i>)-2-hydroxy-1-phenylethyl]-4-methoxy- 1<i>H</i>-pyrrol-2(5<i>H</i>)-one","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","BT2921","Zheng, Jian-Feng; Jiang, Li-Jiao; Guo, Jian-Nan","(<i>S</i>)-5-Hexyl-1-[(<i>S</i>)-2-hydroxy-1-phenylethyl]-4-methoxy-1<i>H</i>-pyrrol-2(5<i>H</i>)-one","Acta Crystallographica Section E","2009","65","5","o1094","","10.1107/S1600536809014160","","","0.71073","MoKα","","0.0297","0.029","","","0.0779","0.0785","","","","","","1.131","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221606","15.0051","0.0012","14.9751","0.0012","7.1723","0.0006","90","","90","","90","","1611.6","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(4-aminopyridinium) tetrachloridocobalt(II)","","- C10 H14 Cl4 Co N4 -","- C10 H14 Cl4 Co N4 -","- C40 H56 Cl16 Co4 N16 -","4","1","BT2925","Jebas, Samuel Robinson; Sinthiya, A.; Ravindran Durai Nayagam, B.; Schollmeyer, Dieter; Raj, S. Alfred Cecil","Bis(4-aminopyridinium) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2009","65","5","m521","","10.1107/S1600536809013270","","","0.71073","MoKα","","0.0226","0.0214","","","0.0513","0.052","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221609","8.2379","0.0016","18.039","0.004","28.844","0.006","90","","90","","90","","4286.3","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(2,2,4-trimethyl-6-tosylperhydro-1,3- dioxino[5,4-<i>c</i>]pyridin-5-yl)acetate","","- C20 H29 N O6 S -","- C20 H29 N O6 S -","- C160 H232 N8 O48 S8 -","8","2","BT2928","Selvanayagam, S.; Sridhar, B.; Ravikumar, K.; Kathiravan, S.; Raghunathan, R.","Methyl 2-(2,2,4-trimethyl-6-tosylperhydro-1,3-dioxino[5,4-<i>c</i>]pyridin-5-yl)acetate","Acta Crystallographica Section E","2009","65","5","o1091","","10.1107/S1600536809014391","","","0.71073","MoKα","","0.0863","0.0546","","","0.1113","0.1236","","","","","","1.041","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221618","4.0316","0.0009","8.473","0.002","18.368","0.004","90","","90","","90","","627.4","0.2","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[μ~2~-chlorido-(μ~2~-3<i>H</i>^+^-1,3,4-thiadiazolium-2-thiolato- κ^2^<i>S</i>:<i>S</i>)silver(I)]","","- C2 H2 Ag Cl N2 S2 -","- C2 H2 Ag Cl N2 S2 -","- C8 H8 Ag4 Cl4 N8 S8 -","4","1","CI2771","Wang, Jian-Ge; Qin, Jian-Hua; Hu, Pu-Zhou","Poly[μ~2~-chlorido-(μ~2~-3<i>H</i>^+^-1,3,4-thiadiazolium-2-thiolato-κ^2^<i>S</i>:<i>S</i>)silver(I)]","Acta Crystallographica Section E","2009","65","5","m507","","10.1107/S1600536809012975","","","0.71073","MoKα","","0.034","0.0313","","","0.0804","0.0828","","","","","","1.085","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221649","5.3884","0.0003","11.2227","0.0007","25.3308","0.0016","90","","90","","90","","1531.81","0.16","121","2","121","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3<i>R</i>,6<i>S</i>,7a<i>S</i>)-3-Phenyl-6- (phenylsulfanyl)perhydropyrrolo[1,2-<i>c</i>]oxazol-5-one","(2<i>R</i>,5<i>S</i>,7<i>S</i>)-2-phenyl-7-phenylsulfanyl-1-aza-3- oxabicyclo[3.3.0]octan-8-one","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C72 H68 N4 O8 S4 -","4","1","ER2064","Gainsford, Graeme J.; Luxenburger, Andreas; Woolhouse, Anthony D.","(3<i>R</i>,6<i>S</i>,7a<i>S</i>)-3-Phenyl-6-(phenylsulfanyl)perhydropyrrolo[1,2-<i>c</i>]oxazol-5-one","Acta Crystallographica Section E","2009","65","5","o943","","10.1107/S1600536809011623","","","0.71073","MoKα","","0.0349","0.0329","","","0.0847","0.0867","","","","","","1.113","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221659","10.4693","0.0015","10.8013","0.0016","15.077","0.002","90","","90","","90","","1704.9","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N'</i>-Diisobutyl-<i>N</i>,<i>N'</i>- dimethylcyclohexane-1,2-diamine","","- C16 H34 N2 -","- C16 H34 N2 -","- C64 H136 N8 -","4","1","FI2074","Eckert, Prisca K.; Gessner, Viktoria H.; Strohmann, Carsten","(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-Diisobutyl-<i>N</i>,<i>N</i>'-dimethylcyclohexane-1,2-diamine","Acta Crystallographica Section E","2009","65","5","o956","","10.1107/S160053680901109X","","","0.71073","MoKα","","0.0606","0.0556","","","0.1454","0.1491","","","","","","1.056","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2221689","5.6022","0.0005","12.5026","0.0009","19.7886","0.0015","90","","90","","90","","1386.03","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>)-2-Benzenesulfonamido-2-phenylethanoic acid","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C56 H52 N4 O16 S4 -","4","1","HB2938","Arshad, Muhammad Nadeem; Tahir, M. Nawaz; Khan, Islam Ullah; Shafiq, Muhammad; Ahmad, Sarfraz","(2<i>R</i>)-2-Benzenesulfonamido-2-phenylethanoic acid","Acta Crystallographica Section E","2009","65","5","o940","","10.1107/S1600536809011611","","","0.71073","MoKα","","0.11","0.0511","","","0.0773","0.0913","","","","","","1.014","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221698","10.4735","0.001","15.8362","0.0015","18.7349","0.0017","90","","90","","90","","3107.4","0.5","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(-)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole","","- C38 H28 O4 P2 -","- C38 H28 O4 P2 -","- C152 H112 O16 P8 -","4","1","HB2954","Jian, Ling-Yan; He, Xiao-Jing; Sun, Ya-Xin; Jiang, Qing-Hua; Zhu, Xu","(<i>S</i>)-({-})-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole","Acta Crystallographica Section E","2009","65","5","o1153","","10.1107/S1600536809015335","","","0.71073","MoKα","","0.0448","0.0343","","","0.077","0.0825","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221744","8.5824","0.0001","9.2834","0.0001","14.6711","0.0002","90","","90","","90","","1168.9","0.02","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methyl 3,4-<i>O</i>-isopropylidene-β-D‒ fucopyranoside monohydrate","","","- C10 H20 O6 -","- C10 H20 O6 -","- C40 H80 O24 -","4","1","IS2405","Fun, Hoong-Kun; Jebas, Samuel Robinson; Rai, Sankappa; Shetty, Prakash; Isloor, Arun M","Redetermination of methyl 3,4-<i>O</i>-isopropylidene-β-<small>D</small>-fucopyranoside monohydrate","Acta Crystallographica Section E","2009","65","5","o1002","o1003","10.1107/S1600536809012689","","","0.71073","MoKα","","0.0275","0.0264","","","0.0719","0.0726","","","","","","1.129","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221772","14.147","0.002","16.5719","0.0011","20.9536","0.0013","90","","90","","90","","4912.4","0.8","223","","223","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis[<i>cis</i>-bis(diphenylphosphino)ethene-κ^2^<i>P</i>,<i>P</i>']copper(I) tetrafluoridoborate ethanol solvate","","- C54 H50 B Cu F4 O P4 -","- C54 H50 B Cu F4 O P4 -","- C216 H200 B4 Cu4 F16 O4 P16 -","4","1","NG2567","Healy, Peter C.; Loughrey, Bradley T.; Williams, Michael L.","Bis[<i>cis</i>-bis(diphenylphosphino)ethene-<i>{κ</i>}^2^<i>P</i>,<i>P</i>']copper(I) tetrafluoridoborate ethanol solvate","Acta Crystallographica Section E","2009","65","5","m500","m501","10.1107/S1600536809012707","","","0.7107","MoKα","","0.05","0.0413","","","0.1052","0.1084","","","","","","0.986","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221792","8.4483","0.0017","11.705","0.002","12.976","0.003","90","","90","","90","","1283.2","0.5","291","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,4-Diazoniabicyclo[2.2.2]octane tetrachloridozincate monohydrate","","- C6 H16 Cl4 N2 O Zn -","- C6 H16 Cl4 N2 O Zn -","- C24 H64 Cl16 N8 O4 Zn4 -","4","1","RZ2310","Wang, Fangming","1,4-Diazoniabicyclo[2.2.2]octane tetrachloridozincate monohydrate","Acta Crystallographica Section E","2009","65","5","m575","","10.1107/S1600536809014822","","","0.71073","MoKα","","0.0557","0.0455","","","0.1163","0.121","","","","","","1.034","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221801","8.3125","0.0001","10.1765","0.0001","28.8472","0.0003","90","","90","","90","","2440.25","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","11β,17,21-Trihydroxy-6α-methyl-3,20-dioxopregna-1,4-dien-21-yl 3-carboxypropionate","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","1","SJ2598","An, Hui-Mei; Gong, Ning-Bo; Lu, Yang","11β,17,21-Trihydroxy-6α-methyl-3,20-dioxopregna-1,4-dien-21-yl 3-carboxypropionate","Acta Crystallographica Section E","2009","65","5","o987","","10.1107/S1600536809011969","","","1.54178","CuKα","","0.0378","0.0376","","","0.1011","0.1013","","","","","","1.065","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221817","5.7428","0.0006","10.8751","0.0011","17.6358","0.0018","90","","90","","90","","1101.4","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","[1-Phenyl-2-(4-pyridyl)ethylidene]hydrazine","","- C13 H13 N3 -","- C13 H13 N3 -","- C52 H52 N12 -","4","1","SJ2620","Tang, Si-Ping","[1-Phenyl-2-(4-pyridyl)ethylidene]hydrazine","Acta Crystallographica Section E","2009","65","5","o1090","","10.1107/S1600536809014330","","","0.71073","MoKα","","0.0434","0.0372","","","0.0989","0.1048","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221822","9.1089","0.0007","13.1601","0.001","18.3443","0.0015","90","","90","","90","","2199","0.3","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{μ-[2-(Dimethylamino)phenyl](2- fluorophenyl)methanolato}pentamethyldialuminum(III)","","- C20 H30 Al2 F N O -","- C20 H30 Al2 F N O -","- C80 H120 Al8 F4 N4 O4 -","4","1","TK2388","Gao, Aihong; Su, Qing; Mu, Ying","{μ-[2-(Dimethylamino)phenyl](2-fluorophenyl)methanolato}pentamethyldialuminum(III)","Acta Crystallographica Section E","2009","65","5","m577","","10.1107/S1600536809012252","","","0.71073","MoKα","","0.068","0.055","","","0.122","0.13","","","","","","1.09","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221823","7.24","0.002","8.835","0.002","15.755","0.004","90","","90","","90","","1007.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methyl-1,10b-dihydro-5<i>H</i>-pyrazolo[1,5-<i>c</i>][1,3]benzoxazin-5-one","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","TK2391","Kettmann, Viktor; Světlík, Jan","2-Methyl-1,10b-dihydro-5<i>H</i>-pyrazolo[1,5-<i>c</i>][1,3]benzoxazin-5-one","Acta Crystallographica Section E","2009","65","5","o984","","10.1107/S1600536809012173","","","0.71073","MoKα","","0.068","0.055","","","0.151","0.161","","","","","","0.96","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221825","4.897","0.001","17.379","0.003","21.484","0.004","90","","90","","90","","1828.4","0.6","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Chloro-<i>N</i>-(3-chlorophenyl)acetamide","","- C8 H7 Cl2 N O -","- C8 H7 Cl2 N O -","- C64 H56 Cl16 N8 O8 -","8","2","TK2407","Gowda, B. Thimme; Foro, Sabine; Terao, Hiromitsu; Fuess, Hartmut","2-Chloro-<i>N</i>-(3-chlorophenyl)acetamide","Acta Crystallographica Section E","2009","65","5","o949","","10.1107/S1600536809011660","","","0.71073","MoKα","","0.185","0.094","","","0.088","0.103","","","","","","1.23","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221828","10.9474","0.0002","14.7638","0.0002","20.4477","0.0003","90","","90","","90","","3304.86","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(20<i>R</i>,24<i>R</i>,25<i>S</i>)-3α,7α,12α,27-Tetraacetoxy-24,26-epoxy- 5β-cholestane","","- C35 H54 O9 -","- C35 H54 O9 -","- C140 H216 O36 -","4","1","TK2410","Ketuly, Kamal Aziz; A. Hadi, A. Hamid; Ng, Seik Weng","(20<i>R</i>,24<i>R</i>,25<i>S</i>)-3α,7α,12α,27-Tetraacetoxy-24,26-epoxy-5β-cholestane","Acta Crystallographica Section E","2009","65","5","o1026","","10.1107/S160053680901188X","","","0.71073","MoKα","","0.0359","0.0318","","","0.0825","0.0852","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221835","4.7836","0.0006","18.765","0.001","19.379","0.002","90","","90","","90","","1739.5","0.3","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(3-Bromophenyl)acetamide","","- C8 H8 Br N O -","- C8 H8 Br N O -","- C64 H64 Br8 N8 O8 -","8","2","TK2417","Gowda, B. Thimme; Foro, Sabine; Terao, Hiromitsu; Fuess, Hartmut","<i>N</i>-(3-Bromophenyl)acetamide","Acta Crystallographica Section E","2009","65","5","o1039","","10.1107/S1600536809013294","","","0.71073","MoKα","","0.094","0.045","","","0.082","0.093","","","","","","0.99","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221847","7.4797","0.0002","9.9094","0.0003","29.3371","0.0008","90","","90","","90","","2174.45","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(20<i>R</i>)-24-Bromo-5β-cholane","","- C24 H41 Br -","- C24 H41 Br -","- C96 H164 Br4 -","4","1","TK2433","Ketuly, Kamal Aziz; A. Hadi, A. Hamid; Ng, Seik Weng","(20<i>R</i>)-24-Bromo-5β-cholane","Acta Crystallographica Section E","2009","65","5","o1124","","10.1107/S1600536809014585","","","0.71073","MoKα","","0.047","0.035","","","0.071","0.075","","","","","","0.99","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221857","7.4153","0.0005","19.2664","0.0012","24.7388","0.0016","90","","90","","90","","3534.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,3<i>S</i>,5<i>R</i>,6<i>S</i>)-6-Acetoxy-8-methyl-3-(<i>p</i>- tolylsulfonyloxy)-8-azoniabicyclo[3.2.1]octane (2<i>R</i>,3<i>R</i>)-2,3-bis(benzoyloxy)-3-carboxypropanoate","","- C35 H37 N O13 S -","- C35 H37 N O13 S -","- C140 H148 N4 O52 S4 -","4","1","WW2139","Yang, Li-Min; Xie, Yi-Fan; Gu, Ya-Fang; Chen, Hong-Zhuan; Lu, Yang","(1<i>R</i>,3<i>S</i>,5<i>R</i>,6<i>S</i>)-6-Acetoxy-8-methyl-3-(<i>p</i>-tolylsulfonyloxy)-8-azoniabicyclo[3.2.1]octane (2<i>R</i>,3<i>R</i>)-2,3-bis(benzoyloxy)-3-carboxypropanoate","Acta Crystallographica Section E","2009","65","5","o1037","","10.1107/S1600536809012732","","","0.71073","MoKα","","0.0859","0.0625","","","0.1159","0.1249","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221866","8.7058","0.0007","9.7646","0.0008","14.258","0.001","90","","90","","90","","1212.05","0.16","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Hydroxy-<i>N</i>'-(4-hydroxybenzoyl)benzohydrazide","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C56 H48 N8 O16 -","4","1","XU2507","Lo, Kong Mun; Ng, Seik Weng","4-Hydroxy-<i>N</i>'-(4-hydroxybenzoyl)benzohydrazide","Acta Crystallographica Section E","2009","65","5","o969","","10.1107/S1600536809012136","","","0.71073","MoKα","","0.0337","0.0304","","","0.0839","0.0875","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221901","11.624","0.002","11.803","0.002","25.698","0.005","90","","90","","90","","3525.7","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a- dodecahydrophenanthrene-1-carboxylic acid","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","AT2789","Zhao, Zhen-Dong; Chen, Yu-Xiang; Wang, Yu-Min; Bi, Liang-Wu","1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylic acid","Acta Crystallographica Section E","2009","65","6","o1429","","10.1107/S1600536809019308","","","0.71073","MoKα","","0.1496","0.0694","","","0.1191","0.1501","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221933","10.2632","0.0007","10.9525","0.0008","21.7459","0.0016","90","","90","","90","","2444.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Darifenacin hydrobromide","(<i>S</i>)-3-[(aminocarbonyl)diphenylmethyl]-1-[2-(2,3-dihydrobenzofuran-5- yl)ethyl]pyrrolidinium bromide","","- C28 H31 Br N2 O2 -","- C28 H31 Br N2 O2 -","- C112 H124 Br4 N8 O8 -","4","1","BT2946","Selvanayagam, S.; Sridhar, B.; Ravikumar, K.","Darifenacin hydrobromide","Acta Crystallographica Section E","2009","65","6","o1286","","10.1107/S1600536809017085","","","0.71073","MoKα","","0.0665","0.054","","","0.1168","0.1212","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221942","5.1814","0.0003","12.6089","0.0008","23.2137","0.0013","90","","90","","90","","1516.59","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>)-Methyl 2-(4-chlorobenzenesulfonamido)-4-(methylsulfanyl)butanoate","","- C12 H16 Cl N O4 S2 -","- C12 H16 Cl N O4 S2 -","- C48 H64 Cl4 N4 O16 S8 -","4","1","BT2959","Syed, Tayyaba; Hameed, Shahid; Jones, Peter G.","(2<i>S</i>)-Methyl 2-(4-chlorobenzenesulfonamido)-4-(methylsulfanyl)butanoate","Acta Crystallographica Section E","2009","65","6","o1348","","10.1107/S1600536809018297","","","1.54184","CuKα","","0.0255","0.0247","","","0.0616","0.0621","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221949","5.5285","0.0007","22.916","0.003","28.194","0.004","90","","90","","90","","3571.9","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Hydroxy-1,7-bis(1<i>H</i>-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate","","- C23 H19 N2 O2.5 -","- C23 H19 N2 O2.5 -","- C184 H152 N16 O20 -","8","2","BX2202","Li, Jun-Hai; Sun, Gang-Chun; Mague, Joel T.; Xie, Jing-Xi","5-Hydroxy-1,7-bis(1<i>H</i>-indol-3-yl)hepta-1,4,6-trien-3-one hemihydrate","Acta Crystallographica Section E","2009","65","6","o1409","","10.1107/S1600536809018571","","","0.71073","MoKα","","0.0375","0.0326","","","0.0809","0.0843","","","","","","1.058","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221951","7.6045","0.0001","11.7534","0.0002","26.5735","0.0004","90","","90","","90","","2375.11","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Mitragynine","(<i>E</i>)-methyl 2-[(2<i>S</i>,3<i>S</i>,12b<i>R</i>)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-\ octahydroindolo[2,3-<i>a</i>]quinolizin-2-yl]-3-methoxyacrylate ethanol solvate","","- C25 H36 N2 O5 -","- C25 H36 N2 O5 -","- C100 H144 N8 O20 -","4","1","BX2206","Carvalho, Paulo; Furr, III, Edward B.; McCurdy, Christopher","(<i>E</i>)-Methyl 2-[(2<i>S</i>,3<i>S</i>,12b<i>R</i>)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-<i>a</i>]quinolizin-2-yl]-3-methoxyacrylate ethanol solvate","Acta Crystallographica Section E","2009","65","6","o1441","o1442","10.1107/S1600536809017309","","","1.54178","CuKα","","0.0444","0.0358","","","0.0843","0.0891","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221957","9.144","0.0001","12.011","0.0001","33.567","0.0004","90","","90","","90","","3686.62","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(E)-4-Bromobenzylidene]-2-(4-isobutylphenyl)propanohydrazide","","- C20 H23 Br N2 O -","- C20 H23 Br N2 O -","- C160 H184 Br8 N16 O8 -","8","2","CI2787","Fun, Hoong-Kun; Quah, Ching Kheng; Sujith, K. V.; Kalluraya, B.","<i>N</i>'-[(<i>E</i>)-4-Bromobenzylidene]-2-(4-isobutylphenyl)propanohydrazide","Acta Crystallographica Section E","2009","65","6","o1184","o1185","10.1107/S1600536809015542","","","0.71073","MoKα","","0.0908","0.0416","","","0.0874","0.1026","","","","","","1.039","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2221961","9.1405","0.0001","11.926","0.0002","33.3487","0.0005","90","","90","","90","","3635.33","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-4-Chlorobenzylidene]-2-(4-isobutylphenyl)propanohydrazide","","- C20 H23 Cl N2 O -","- C20 H23 Cl N2 O -","- C160 H184 Cl8 N16 O8 -","8","2","CI2793","Fun, Hoong-Kun; Yeap, Chin Sing; Sujith, K. V.; Kalluraya, B.","<i>N</i>'-[(<i>E</i>)-4-Chlorobenzylidene]-2-(4-isobutylphenyl)propanohydrazide","Acta Crystallographica Section E","2009","65","6","o1196","o1197","10.1107/S1600536809015906","","","0.71073","MoKα","","0.0588","0.0457","","","0.1068","0.1182","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2221971","7.254","0.0003","15.0469","0.0006","17.0741","0.0007","90","","90","","90","","1863.64","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","r-2,c-6-Bis(4-methoxyphenyl)-c-3,t-3-dimethyl-1-nitrosopiperidin-4-one","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","CI2805","Kavitha, T.; Ponnuswamy, S.; Sakthivel, P.; Karthik, K.; Ponnuswamy, M. N.","<i>r</i>-2,<i>c</i>-6-Bis(4-methoxyphenyl)-<i>c</i>-3,<i>t</i>-3-dimethyl-1-nitrosopiperidin-4-one","Acta Crystallographica Section E","2009","65","6","o1420","","10.1107/S1600536809019357","","","0.71073","MoKα","","0.0527","0.0386","","","0.0974","0.1088","","","","","","1.025","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221976","5.20527","0.00002","9.52235","0.00004","34.77985","0.00013","90","","90","","90","","1723.91","0.012","293","","293","","101","","","","","","","5","P 21 21 21","P 2ac 2ab","19","capecitabine","5-deoxy-5-fluoro-<i>N</i>-(pentyloxycarbonyl)cytidine","","- C15 H22 F N3 O6 -","- C15 H22 F N3 O6 -","- C60 H88 F4 N12 O24 -","4","1","CV2544","Rohlicek, Jan; Husak, Michal; Gavenda, Ales; Jegorov, Alexandr; Kratochvil, Bohumil; Fitch, Andy","Capecitabine from X-ray powder synchrotron data","Acta Crystallographica Section E","2009","65","6","o1325","o1326","10.1107/S1600536809017905","powder diffraction","","0.79483","synchrotron","","","","","","","","","","2.11","","","","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2221979","8.0122","0.0009","11.9181","0.0014","16.4037","0.0019","90","","90","","90","","1566.4","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1',3,3',5,5'-Hexamethylspiro[furo[2,3-<i>d</i>]pyrimidine-6(5<i>H</i>),5'- pyrimidine]-2,2',4,4',6'(1<i>H</i>,3<i>H</i>,1'<i>H</i>,3'<i>H</i>,5'<i>H</i>)- pentaone","","- C15 H18 N4 O6 -","- C15 H18 N4 O6 -","- C60 H72 N16 O24 -","4","1","CV2553","Noroozi Pesyan, Nader; Rastgar, Saeed; Hosseini, Yaser","1,1',3,3',5,5'-Hexamethylspiro[furo[2,3-<i>d</i>]pyrimidine-6(5<i>H</i>),5'-pyrimidine]-2,2',4,4',6'(1<i>H</i>,3<i>H</i>,1'<i>H</i>,3'<i>H</i>,5'<i>H</i>)-pentaone","Acta Crystallographica Section E","2009","65","6","o1444","","10.1107/S1600536809019618","","","0.71073","MoKα","","0.0587","0.0469","","","0.0853","0.0893","","","","","","1.013","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2221998","12.5887","0.0016","13.255","0.0011","14.5355","0.0012","90","","90","","90","","2425.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>E</i>)-17β,19-Epoxymethano-17,23,24-tridemethyl-4-nor-5β,18α-olean- 3-one oxime","(3<i>E</i>,3a<i>S</i>,5a<i>R</i>,5b<i>R</i>,7a<i>R</i>,11<i>R</i>,11a<i>R</i>, 11b<i>R</i>,13a<i>R</i>,13b<i>R</i>)-5a,5b,10,10,13b- pentamethylicosahydro-1<i>H</i>-11,7a- (epoxymethano)cyclopenta[<i>a</i>]chrysen-3-one oxime","","- C27 H43 N O2 -","- C27 H43 N O2 -","- C108 H172 N4 O8 -","4","1","FB2138","Froelich, Anna; Kazakova, Oxana B.; Tolstikov, Genrikh; Gzella, Andrzej K.","(<i>E</i>)-17β,19-Epoxymethano-17,23,24-tridemethyl-4-nor-5β,18α-olean-3-one oxime","Acta Crystallographica Section E","2009","65","6","o1262","","10.1107/S1600536809016675","","","1.54178","CuKα","","0.0408","0.0308","","","0.0884","0.0941","","","","","","1.059","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222007","6.2201","0.0001","6.5022","0.0001","17.6629","0.0004","90","","90","","90","","714.36","0.02","190","","190","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","α-D-Tagatopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","FL2248","Punzo, Francesco; Watkin, David J.; Fleet, George W. J.","α-<small>D</small>-Tagatopyranose","Acta Crystallographica Section E","2009","65","6","o1393","o1394","10.1107/S1600536809017656","","","0.71073","MoKα","","0.0253","0.0247","","0.0645","0.0638","0.0645","","","","","","0.9648","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222012","7.5119","0.0004","10.2047","0.0006","21.1818","0.0012","90","","90","","90","","1623.73","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CpRu(η^6^-mes-NH~2~).PF6","(η^5^-Cyclopentadienyl)(η^6^-mesitylamine)ruthenium(II) hexafluoridophosphate","","- C14 H18 F6 N P Ru -","- C14 H18 F6 N P Ru -","- C56 H72 F24 N4 P4 Ru4 -","4","1","GK2208","Becker, Eva; Kirchner, Karl; Mereiter, Kurt","(η^5^-Cyclopentadienyl)(η^6^-mesitylamine)ruthenium(II) hexafluoridophosphate","Acta Crystallographica Section E","2009","65","6","m631","","10.1107/S1600536809016894","","","0.71073","MoKα","","0.0242","0.0236","","","0.0549","0.0552","","","","","","1.118","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222040","7.1948","0.0002","11.2552","0.0003","15.3311","0.0004","90","","90","","90","","1241.5","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>)-Methyl 2-(<i>p</i>-toluenesulfonamido)propanoate","","- C11 H15 N O4 S -","- C11 H15 N O4 S -","- C44 H60 N4 O16 S4 -","4","1","HG2507","Syed, Tayyaba; Hameed, Shahid; Jones, Peter G.; Schmidt-Meier, Andrea","(2<i>S</i>)-Methyl 2-(<i>p</i>-toluenesulfonamido)propanoate","Acta Crystallographica Section E","2009","65","6","o1300","","10.1107/S1600536809017371","","","0.71073","MoKα","","0.0233","0.022","","","0.0631","0.0634","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222071","8.442","0.002","12.97","0.003","17.098","0.003","90","","90","","90","","1872.1","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,5-Diphenyl-2-<i>p</i>-tolyl-1<i>H</i>-imidazol-3-ium nitrate","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C88 H76 N12 O12 -","4","1","IM2112","Cui, Li-Jing","4,5-Diphenyl-2-<i>p</i>-tolyl-1<i>H</i>-imidazol-3-ium nitrate","Acta Crystallographica Section E","2009","65","6","o1361","","10.1107/S1600536809018789","","","0.71073","MoKα","","0.1043","0.0591","","","0.1223","0.1426","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222077","5.1355","0.0008","12.024","0.002","30.158","0.005","90","","90","","90","","1862.2","0.5","298","1","298","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","meso-Dihydroguaiaretic acid","2,2'-Dimethoxy-4,4'-[<i>rel</i>-(2<i>R</i>,3<i>S</i>)-2,3-dimethylbutane- 1,4-diyl]diphenol","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","IS2391","Salinas-Salazar, Carmen L.; Camacho-Corona, María del Rayo; Bernès, Sylvain; Waksman de Torres, Noemi","2,2'-Dimethoxy-4,4'-[<i>rel</i>-(2<i>R</i>,3<i>S</i>)-2,3-dimethylbutane-1,4-diyl]diphenol","Acta Crystallographica Section E","2009","65","6","o1279","","10.1107/S1600536809017292","","","0.71073","MoKα","","0.1038","0.0542","","","0.1156","0.139","","","","","","0.997","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222090","6.8812","0.0002","8.504","0.0003","47.7465","0.0009","90","","90","","90","","2794.02","0.14","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","O-Methyl cyclolaudenol","3-methoxy-24-methyl-9,19-cyclolanost-25-ene","","- C32 H54 O -","- C32 H54 O -","- C128 H216 O4 -","4","1","LH2798","Hussain, Nisar; Habib-ur-Rehman; Parvez, Masood","<i>O</i>-Methyl cyclolaudenol","Acta Crystallographica Section E","2009","65","6","o1202","","10.1107/S1600536809016031","","","1.54178","CuKα","","0.065","0.055","","","0.15","0.162","","","","","","1.08","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222099","8.4963","0.0006","11.4891","0.0007","12.5318","0.0011","90","","90","","90","","1223.29","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-chloro-<i>N</i>-cyclohexylbenzamide","3-Chloro-<i>N</i>-cyclohexylbenzamide","","- C13 H16 Cl N O -","- C13 H16 Cl N O -","- C52 H64 Cl4 N4 O4 -","4","1","LH2817","Khawar Rauf, M.; Bolte, Michael; Badshah, Amin","3-Chloro-<i>N</i>-cyclohexylbenzamide","Acta Crystallographica Section E","2009","65","6","o1265","","10.1107/S1600536809017012","","","0.71073","MoKα","","0.0351","0.0295","","","0.067","0.0686","","","","","","0.976","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222126","6.5904","0.0013","12.703","0.003","18.538","0.004","90","","90","","90","","1552","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(<i>E</i>)-(2-Aminophenyl)iminomethyl]-5-(dimethylamino)phenol","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","1","RZ2315","Yu, Yan-Hong; Qian, Kun","2-[(<i>E</i>)-(2-Aminophenyl)iminomethyl]-5-(dimethylamino)phenol","Acta Crystallographica Section E","2009","65","6","o1232","","10.1107/S1600536809015773","","","0.71073","MoKα","","0.0999","0.0577","","","0.1494","0.1756","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222141","9.0562","0.0018","10.273","0.002","18.032","0.004","90","","90","","90","","1677.6","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dimorpholinium pentachloridoantimonate(III)","","- C8 H20 Cl5 N2 O2 Sb -","- C8 H20 Cl5 N2 O2 Sb -","- C32 H80 Cl20 N8 O8 Sb4 -","4","1","SI2174","Chen, Li Zhuang","Dimorpholinium pentachloridoantimonate(III)","Acta Crystallographica Section E","2009","65","6","m689","","10.1107/S1600536809019345","","","0.71073","MoKα","","0.0214","0.0205","","","0.0462","0.0464","","","","","","1.242","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222153","9.9636","0.0002","10.5246","0.0002","14.3535","0.0002","90","","90","","90","","1505.15","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Iodo-8β,9α,14α-estra-1,3,5(10)-trien-17-one","","- C18 H21 I O -","- C18 H21 I O -","- C72 H84 I4 O4 -","4","1","TK2435","Ketuly, Kamal Aziz; A. Hadi, A. Hamid; Ng, Seik Weng","3-Iodo-8β,9α,14α-estra-1,3,5(10)-trien-17-one","Acta Crystallographica Section E","2009","65","6","o1195","","10.1107/S1600536809014603","","","0.71073","MoKα","","0.019","0.018","","","0.044","0.045","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222160","8.464","0.003","9.901","0.003","32.917","0.01","90","","90","","90","","2758.5","1.5","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3β-methoxycarbonyloxy-4,4-dimethyl-17-oxo- 16α-(3-oxobutyl)androstane-16β-carboxylate","","- C29 H44 O7 -","- C29 H44 O7 -","- C116 H176 O28 -","4","1","TK2445","Yan, Xin; Xu, Shiqing; Wang, Jingmei; Chen, Ying; Xia, Peng","Methyl 3β-methoxycarbonyloxy-4,4-dimethyl-17-oxo-16α-(3-oxobutyl)-16β-carboxylate","Acta Crystallographica Section E","2009","65","6","o1283","","10.1107/S1600536809017243","","","0.71073","MoKα","","0.073","0.042","","","0.082","0.089","","","","","","0.86","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222178","7.3761","0.0002","16.3585","0.0004","20.7032","0.0005","90","","90","","90","","2498.09","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","pinnatane A","","","- C30 H48 O3 -","- C30 H48 O3 -","- C120 H192 O12 -","4","1","WN2325","Mohamad, Khalit; Yusoff, Mahfizah; Awang, Khalijah; Ahmad, Kartini; Ng, Seik Weng","Pinnatane A from the bark of <i>Walsura pinnata</i> Hassk","Acta Crystallographica Section E","2009","65","6","o1317","","10.1107/S1600536809015955","","","0.71073","MoKα","","0.0444","0.0368","","","0.0907","0.0972","","","","","","0.996","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222179","11.517","0.003","18.045","0.004","19.241","0.004","90","","90","","90","","3998.7","1.6","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1β,2α,3α,7α,11α,13β)-1,3,7,11-Tetraacetoxy-2,13-bis(benzyloxy)- 21-dimethyl-19,21-secohetisan-19-al hemihydrate","","- C43 H47 N O13.5 -","- C43 H46 N O13.5 -","- C172 H184 N4 O54 -","4","1","XU2510","Chen, Feng-Zheng; Xiang, Qing-Xiang; Zhang, Yuan-Qin; Xiong, Jun-Ru","(1β,2α,3α,7α,11α,13β)-1,3,7,11-Tetraacetoxy-2,13-bis(benzyloxy)-21-methyl-19,21-secohetisan-19-al hemihydrate","Acta Crystallographica Section E","2009","65","6","o1432","","10.1107/S1600536809018315","","","0.71073","MoKα","","0.1332","0.0522","","","0.1267","0.1501","","","","","","0.996","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2222189","9.2924","0.0019","17.858","0.004","21.451","0.004","90","","90","","90","","3559.7","1.3","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2α-Acetoxy-5α-methoxycaryophyll-8(15)-en-3-one","","- C18 H28 O4 -","- C18 H28 O4 -","- C144 H224 O32 -","8","2","YA2089","Zhang, Wen; Duan, Hong-Quan","2α-Acetoxy-5α-methoxycaryophyll-8(15)-en-3-one","Acta Crystallographica Section E","2009","65","6","o1362","","10.1107/S1600536809018856","","","0.71073","MoKα","","0.061","0.049","","","0.115","0.123","","","","","","1.08","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222206","8.5489","0.0011","10.9019","0.0018","28.898","0.003","90","","90","","90","","2693.3","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 N2 O4 -","- C30 H42 N2 O4 -","- C120 H168 N8 O16 -","4","1","AT2805","Hu, Jun; Yu, Libing; Wang, Ruji; Ju, Yong","1,2,5-Oxadiazolo[3,4-<i>b</i>]glycyrrhetinic acid","Acta Crystallographica Section E","2009","65","7","o1547","","10.1107/S1600536809020996","","","0.71073","MoKα","","0.0809","0.0485","","","0.0926","0.1089","","","","","","1.021","","","","has coordinates","201978","2020-10-21","18:00:00",""
"2222234","7.0982","0.0014","11.423","0.002","18.949","0.004","90","","90","","90","","1536.4","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-Fluoro-<i>N</i>-[3-(2-fluorophenyl)-4-methyl-2,3-dihydro-2- thienylidene]benzamide","","- C17 H12 F2 N2 O S -","- C17 H12 F2 N2 O S -","- C68 H48 F8 N8 O4 S4 -","4","1","BI2375","Saeed, Aamer; Shaheen, Uzma; Latif, Muhammad; Bolte, Michael","4-Fluoro-<i>N</i>-[3-(2-fluorophenyl)-4-methyl-2,3-dihydro-2-thienylidene]benzamide","Acta Crystallographica Section E","2009","65","7","o1643","","10.1107/S1600536809022314","","","0.71073","MoKα","","0.0379","0.0335","","","0.0802","0.0818","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222240","6.4793","0.0002","12.9807","0.0005","16.7819","0.0008","90","","90","","90","","1411.46","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-3-(2,6-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","","- C16 H12 Cl2 O2 -","- C16 H12 Cl2 O2 -","- C64 H48 Cl8 O8 -","4","1","BQ2141","Benmekhbi, Lotfi; Belhouas, Ratiba; Bouacida, Sofiane; Mosbah, Salima; Bencharif, Leila","(<i>E</i>)-3-(2,6-Dichlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2009","65","7","o1472","o1473","10.1107/S1600536809020145","","","0.71073","MoKα","","0.0395","0.0355","","","0.0865","0.0895","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222269","7.7938","0.0002","7.828","0.0002","34.6549","0.0008","90","","90","","90","","2114.29","0.09","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-Bromo-3-{<i>N</i>-[2-(3,4-dimethoxyphenyl)ethyl]-<i>N</i>-methylsulfamoyl}- 5-methylbenzoic acid monohydrate","","- C19 H24 Br N O7 S -","- C19 H24 Br N O7 S -","- C76 H96 Br4 N4 O28 S4 -","4","1","CI2818","Babu, C. Suneel Manohar; Kavitha, Helen P.; Vennila, Jasmine P.; Chakkaravarthi, G.; Manivannan, V.","4-Bromo-3-{<i>N</i>-[2-(3,4-dimethoxyphenyl)ethyl]-<i>N</i>-methylsulfamoyl}-5-methylbenzoic acid monohydrate","Acta Crystallographica Section E","2009","65","7","o1568","","10.1107/S1600536809022041","","","0.71073","MoKα","","0.0646","0.0403","","","0.0991","0.1072","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222335","6.3164","0.0001","15.165","0.0002","22.0028","0.0003","90","","90","","90","","2107.61","0.05","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(11<i>R</i>)-13-Dimethylammonio-11,13-dihydro-4,5-epoxycostunolide semifumarate","(11<i>R</i>)-13-Dimethylammonio-11,13-dihydro-4,5-epoxycostunolide semifumarate","","- C21 H31 N O7 -","- C21 H31 N O7 -","- C84 H124 N4 O28 -","4","1","HG2516","Neelakantan, Sundar; Parkin, Sean; Crooks, Peter A.","(11<i>R</i>)-13-Dimethylammonio-11,13-dihydro-4,5-epoxycostunolide semifumarate","Acta Crystallographica Section E","2009","65","7","o1569","","10.1107/S1600536809021941","","","1.54178","CuKα","","0.0282","0.0271","","","0.0685","0.0692","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222361","9.1549","0.0011","9.9319","0.0012","27.83","0.02","90","","90","","90","","2530.5","1.9","294","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-<i>N</i>,<i>N</i>'-bis[(<i>S</i>)-1-Methoxycarbonyl-2-Phenylethyl]- 2,6-Pyridinedicarboxamide","(-)-Dimethyl 3,3'-diphenyl-2,2'-[pyridine-2,6-diylbis(carbonylimino)]dipropanoate","","- C27 H27 N3 O6 -","- C27 H27 N3 O6 -","- C108 H108 N12 O24 -","4","1","HK2713","Yin, Shaohong; Cui, Yu; Xia, Guangming; Zhang, Yanju; Sun, Guoxin","({-})-Dimethyl 3,3'-diphenyl-2,2'-[pyridine-2,6-diylbis(carbonylimino)]dipropanoate","Acta Crystallographica Section E","2009","65","7","o1713","","10.1107/S1600536809023721","","","0.71073","MoKα","","0.0684","0.0461","","","0.1211","0.134","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222414","5.3065","0.0006","11.1657","0.0013","23.906","0.002","90","","90","","90","","1416.4","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5,5'-dithiodisalicylic acid","6,6'-Dihydroxy-3,3'-dithiodibenzoic acid","","- C14 H10 O6 S2 -","- C14 H10 O6 S2 -","- C56 H40 O24 S8 -","4","1","NG2599","Sun, Shu-Wen; Zhou, Fu-Lin; Wang, Gao-Feng; Cui, Gui-Hua","6,6'-Dihydroxy-3,3'-dithiodibenzoic acid","Acta Crystallographica Section E","2009","65","7","o1701","","10.1107/S1600536809023757","","","0.71073","MoKα","","0.0591","0.0448","","","0.0959","0.1027","","","","","","1.087","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222429","3.9887","0.0001","6.1487","0.0002","32.8919","0.0009","90","","90","","90","","806.68","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methoxybenzohydrazide","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C32 H40 N8 O8 -","4","1","PV2163","Ashiq, Uzma; Jamal, Rifat Ara; Tahir, Muhammad Nawaz; Yousuf, Sammer; Khan, Islam Ullah","4-Methoxybenzohydrazide","Acta Crystallographica Section E","2009","65","7","o1551","","10.1107/S1600536809021345","","","0.71073","MoKα","","0.0581","0.0434","","","0.1203","0.147","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222443","7.678","0.005","12.48","0.008","19.428","0.012","90","","90","","90","","1862","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-(1-Ferrocenylmethyl-1<i>H</i>-benzimidazol-2-yl)ethanol monohydrate","","- C20 H22 Fe N2 O2 -","- C20 H22 Fe N2 O2 -","- C80 H88 Fe4 N8 O8 -","4","1","RZ2334","Xia, Rong","(<i>S</i>)-1-(1-Ferrocenylmethyl-1<i>H</i>-benzimidazol-2-yl)ethanol monohydrate","Acta Crystallographica Section E","2009","65","7","m835","","10.1107/S1600536809023575","","","0.71073","MoKα","","0.0535","0.0433","","","0.1062","0.1128","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222492","5.5274","0.0014","7.99","0.002","31.517","0.008","90","","90","","90","","1391.9","0.6","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-1-(1-Naphthyl)-1-(2-thienylmethylene)ethylamine","","- C17 H15 N S -","- C17 H15 N S -","- C68 H60 N4 S4 -","4","1","WN2331","Espinosa Leija, Armando; Hernández, Guadalupe; Portillo, Roberto; Gutiérrez, René; Bernès, Sylvain","(<i>S</i>)-(+)-1-(1-Naphthyl)-1-(2-thienylmethylene)ethylamine","Acta Crystallographica Section E","2009","65","7","o1651","","10.1107/S1600536809022375","","","0.71073","MoKα","","0.1251","0.0587","","","0.1315","0.1742","","","","","","1.564","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222495","7.9469","0.001","12.7755","0.0016","24.884","0.003","90","","90","","90","","2526.4","0.5","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Maleopimaric acid acetic acid solvate","","- C26 H36 O7 -","- C26 H36 O7 -","- C104 H144 O28 -","4","1","WN2334","Zhang, Meng; Zhou, Yong-hong; Guo, Xiao-xin; Hu, Li-hong","Maleopimaric acid acetic acid solvate","Acta Crystallographica Section E","2009","65","7","o1714","","10.1107/S1600536809023745","","","0.71073","MoKα","","0.0578","0.0473","","","0.1067","0.1095","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222506","13.562","0.002","18.984","0.002","19.35","0.003","90","","90","","90","","4981.9","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane- κ^4^<i>N</i>)(μ-<i>L</i>-malato-κ^4^<i>O</i>^1^,<i>O</i>^2^: <i>O</i>^4^,<i>O</i>^4'^)dinickel(II) bis(perchlorate) monohydrate","","- C36 H78 Cl2 N8 Ni2 O14 -","- C36 H78 Cl2 N8 Ni2 O14 -","- C144 H312 Cl8 N32 Ni8 O56 -","4","1","XU2535","Ou, Guang-Chuan; Zhou, Qiang; Ng, Seik Weng","Bis(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)(μ-<small>L</small>-malato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^4^,<i>O</i>^4'^)dinickel(II) bis(perchlorate) monohydrate","Acta Crystallographica Section E","2009","65","7","m728","","10.1107/S1600536809020662","","","0.71073","MoKα","","0.0799","0.0431","","","0.1022","0.123","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222513","6.435","0.0013","12.799","0.003","14.944","0.003","90","","90","","90","","1230.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-chloro-N,N-diphenylacetamide","2-Chloro-<i>N</i>,<i>N</i>-diphenylacetamide","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","YA2097","Shao, Shuai; Sun, Jie","2-Chloro-<i>N</i>,<i>N</i>-diphenylacetamide","Acta Crystallographica Section E","2009","65","7","o1719","","10.1107/S1600536809024052","","","0.71073","MoKα","","0.058","0.045","","","0.104","0.112","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222515","6.8644","0.0003","10.837","0.0005","21.2348","0.001","90","","90","","90","","1579.65","0.12","140","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5<i>R</i>,6<i>S</i>)-4-Isopropyl-5-methyl-6-phenyl-3-propanoyl-2<i>H</i>- 1,3,4-oxadiazinan-2-one","","- C16 H22 N2 O3 -","- C16 H22 N2 O3 -","- C64 H88 N8 O12 -","4","1","ZL2203","Tailor, Dishant; Edler, Kate L.; Casper, David M.; Hitchcock, Shawn R.; Ferrence, Gregory M.","(5<i>R</i>,6<i>S</i>)-4-Isopropyl-5-methyl-6-phenyl-3-propanoyl-2<i>H</i>-1,3,4-oxadiazinan-2-one","Acta Crystallographica Section E","2009","65","7","o1685","o1686","10.1107/S1600536809022363","","","0.71073","MoKα","","0.0399","0.0392","","","0.0987","0.0992","","","","","","1.177","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222518","12.0213","0.0003","15.4938","0.0006","17.1038","0.0004","90","","90","","90","","3185.68","0.16","100","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","akonifine","8β-Acetoxy-14α-benzoyloxy-<i>N</i>-ethyl-3α,10β,13β,15α-tetrahydroxy- 1α,6α,16β-trimethoxy-4β-(methoxymethylene)aconitane","","- C34 H47 N O12 -","- C34 H47 N O12 -","- C136 H188 N4 O48 -","4","1","ZL2215","Tashkhodjaev, Bakhodir; Sultankhodjaev, Mukhlis N.","8β-Acetoxy-14α-benzoyloxy-<i>N</i>-ethyl-3α,10β,13β,15α-tetrahydroxy-1α,6α,16β-trimethoxy-4β-(methoxymethylene)aconitane: aconifine from <i>Aconitum karakolicum Rapaics</i>","Acta Crystallographica Section E","2009","65","7","o1543","o1544","10.1107/S1600536809021436","","","1.54184","CuKα","","0.038","0.0365","","","0.0975","0.0984","","","","","","1.064","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222522","10.039","0.005","14.107","0.008","17.512","0.006","90","","90","","90","","2480","2","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-benzoylheteratisine and 1α-Methoxy-6β-benzoyloxy-8β-hydroxy-Δ^13,14^-oxy-Δ^17,19^—<i>N</i>-\ ethylaconanon-14: 6-benzoylheteratisine","(1α,8β)-6β-Benzoyloxy-6-dehydroxyheteratisine","","- C29 H37 N O6 -","- C29 H37 N O6 -","- C116 H148 N4 O24 -","4","1","ZL2222","Tashkhodjaev, Bakhodir; Salimov, Bakhodir T.","(1α,8β)-6β-Benzoyloxy-6-dehydroxyheteratisine from <i>Aconitum zeravschanicum</i>","Acta Crystallographica Section E","2009","65","7","o1682","o1683","10.1107/S1600536809023873","","","0.71073","MoKα","","0.1187","0.0671","","","0.1174","0.1421","","","","","","1.215","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222561","7.3406","0.0014","17.901","0.004","19.681","0.004","90","","90","","90","","2586.2","0.9","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","13-Ethoxycarbonyl-16-(1-methylethyl)-17,19-dinoratis-15-ene-4,14- dicarboxylic acid monohydrate","","- C26 H40 O7 -","- C26 H40 O7 -","- C104 H160 O28 -","4","1","BH2234","Zhang, Meng; Guo, Xiao-xin; Zhou, Yong-hong; Liu, Hong-jun","13-Ethoxycarbonyl-16-(1-methylethyl)-17,19-dinoratis-15-ene-4,14-dicarboxylic acid monohydrate: a new derivative of maleopimaric acid","Acta Crystallographica Section E","2009","65","8","o1959","","10.1107/S1600536809028141","","","0.71073","MoKα","","0.0709","0.0541","","","0.1088","0.1126","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222600","5.5654","0.0013","16.23","0.004","17.597","0.004","90","","90","","90","","1589.5","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-(4-Bromobenzenesulfonamido)-2-phenylacetic acid monohydrate","","- C14 H14 Br N O5 S -","- C14 H14 Br N O5 S -","- C56 H56 Br4 N4 O20 S4 -","4","1","BT5013","Arshad, Muhammad Nadeem; Khan, Islam Ullah; Akkurt, Mehmet; Shafiq, Muhammad","2-(4-Bromobenzenesulfonamido)-2-phenylacetic acid monohydrate","Acta Crystallographica Section E","2009","65","8","o1953","o1954","10.1107/S160053680902830X","","","0.71073","MoKα","","0.215","0.0566","","","0.1102","0.1798","","","","","","0.93","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222608","8.417","0.004","9.919","0.003","17.187","0.008","90","","90","","90","","1434.9","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cynaratriol","3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-\ 6-methylenedecahydroazuleno[4,5-<i>b</i>]furan-2(3<i>H</i>)-one","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","BX2222","López-Rodríguez, Matías; P. García, Victor; Zater, Hanêne; Benayache, Samir; Benayache, Fadila","Cynaratriol, a sesquiterpene lactone from <i>Centaurea musimomum</i>","Acta Crystallographica Section E","2009","65","8","o1867","o1868","10.1107/S1600536809026701","","","0.71073","MoKα","","0.0495","0.042","","","","0.1013","","","","","","1.111","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222610","5.53","0.0003","8.5175","0.0006","34.0903","0.0018","90","","90","","90","","1605.71","0.17","296","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C64 H72 Cl4 N4 O12 -","4","1","BX2224","Li, Zhaobo; Guo, Yi; Li, Bailin; Luo, Shuping","(<i>S</i>)-2-[(<i>S</i>,<i>E</i>)-4-(4-Chlorophenyl)-1-nitrobut-3-en-2-yl]cyclohexanone","Acta Crystallographica Section E","2009","65","8","o2023","","10.1107/S1600536809029213","","","0.71075","MoKα","","","0.0436","","","","0.1238","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222613","7.2742","0.0004","15.8459","0.0007","16.48","0.0007","90","","90","","90","","1899.59","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","t-3-Ethyl-r-2,c-6-bis(4-methoxyphenyl)-1-nitrosopiperidin-4-one","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","CI2810","Kavitha, T.; Thenmozhi, M.; Ponnuswamy, S.; Sakthivel, P.; Ponnuswamy, M. N.","<i>t</i>-3-Ethyl-<i>r</i>-2,<i>c</i>-6-bis(4-methoxyphenyl)-1-nitrosopiperidin-4-one","Acta Crystallographica Section E","2009","65","8","o1765","","10.1107/S1600536809024878","","","0.71073","MoKα","","0.0588","0.0398","","","0.0964","0.1071","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222616","4.2546","0.0004","11.6274","0.001","20.604","0.002","90","","90","","90","","1019.28","0.16","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(2-Chloroethyl)-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one","","- C11 H11 Cl N2 O -","- C11 H11 Cl N2 O -","- C44 H44 Cl4 N8 O4 -","4","1","CI2827","Jasinski, Jerry P.; Butcher, Ray J.; Hakim Al-Arique, Q. N. M.; Yathirajan, H. S.; Narayana, B.","3-(2-Chloroethyl)-2-methyl-4<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-4-one","Acta Crystallographica Section E","2009","65","8","o1987","o1988","10.1107/S1600536809027548","","","0.71073","MoKα","","0.0761","0.0653","","","0.1764","0.1811","","","","","","1.113","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222633","3.9537","0.0002","7.1822","0.0004","30.5723","0.0015","90","","90","","90","","868.14","0.08","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine","","- C7 H10 N2 O2 S -","- C7 H10 N2 O2 S -","- C28 H40 N8 O8 S4 -","4","1","CI2850","Balasubramani, Kasthuri; Fun, Hoong-Kun","4,6-Dimethoxy-2-(methylsulfanyl)pyrimidine","Acta Crystallographica Section E","2009","65","8","o1895","","10.1107/S1600536809027263","","","0.71073","MoKα","","0.0582","0.0555","","","0.1316","0.1329","","","","","","1.279","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222652","7.152","0.003","14.946","0.007","29.837","0.012","90","","90","","90","","3189","2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,28-Diacetoxy-29-bromobetulin","","- C34 H53 Br O4 -","- C34 H53 Br O4 -","- C136 H212 Br4 O16 -","4","1","CV2584","Ding, Wei-Min; Jing, Li-Jia; Yu, Tao; Wang, Yang; Yan, Xiu-Feng","3,28-Diacetoxy-29-bromobetulin","Acta Crystallographica Section E","2009","65","8","o1982","","10.1107/S1600536809027640","","","0.71073","MoKα","","0.0927","0.0568","","","0.129","0.1447","","","","","","0.944","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222661","4.5869","0.0013","15.749","0.005","15.876","0.005","90","","90","","90","","1146.9","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-(1-Hydroxyethyl)benzimidazolium dihydrogen phosphate","","- C9 H13 N2 O5 P -","- C9 H13 N2 O5 P -","- C36 H52 N8 O20 P4 -","4","1","DN2468","Xia, Rong","(<i>S</i>)-2-(1-Hydroxyethyl)benzimidazolium dihydrogen phosphate","Acta Crystallographica Section E","2009","65","8","o2032","","10.1107/S1600536809028451","","","0.71073","MoKα","","0.0725","0.0522","","","0.1084","0.1182","","","","","","0.818","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222675","9.3297","0.0012","10.1621","0.0013","18.213","0.002","90","","90","","90","","1726.8","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-<i>N</i>'-(4-Hydroxy-4-methylpentan-2-ylidene)-\ 2-(8-quinolyloxy)acetohydrazide","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","FJ2222","Yin, Li-Zi; Song, De-Guang; Liu, Song-Cai","(<i>Z</i>)-<i>N</i>'-(4-Hydroxy-4-methylpentan-2-ylidene)-2-(8-quinolyloxy)acetohydrazide","Acta Crystallographica Section E","2009","65","8","o1744","","10.1107/S1600536809024957","","","0.71073","MoKα","","0.0385","0.0345","","","0.0965","0.1009","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222685","6.475","0.002","14.914","0.005","28.713","0.009","90","","90","","90","","2772.8","1.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-α-acetoxygedunin","(1<i>S</i>,3a<i>S</i>,4a<i>R</i>,4b<i>S</i>,5<i>S</i>,6<i>R</i>, 6a<i>R</i>,10a<i>R</i>,10b<i>R</i>,12a<i>S</i>)-5,6-bis(acetyloxy)- 1-(3-furyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-4b,7,7,10a,12a- pentamethyloxireno[<i>c</i>]phenanthro[1,2-<i>d</i>]pyran- 3,8(3a<i>H</i>,4b<i>H</i>)-dione","","- C30 H36 O9 -","- C30 H36 O9 -","- C120 H144 O36 -","4","1","FJ2239","Hofer, Margit; Greger, Harald; Mereiter, Kurt","6α-Acetoxygedunin","Acta Crystallographica Section E","2009","65","8","o1942","o1943","10.1107/S1600536809027998","","","0.71073","MoKα","","0.0438","0.0373","","","0.0956","0.0994","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222691","8.7124","0.0019","19.054","0.003","19.48","0.003","90","","90","","90","","3233.8","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzyl 3-dehydroxy-1,2,5-oxadiazolo[3',4':2,3]oleanolate","","- C37 H50 N2 O3 -","- C37 H50 N2 O3 -","- C148 H200 N8 O12 -","4","1","GK2215","Hu, Jun; Gong, Xiaoyun; Wang, Ruji; Ju, Yong","Benzyl 3-dehydroxy-1,2,5-oxadiazolo[3',4':2,3]oleanolate","Acta Crystallographica Section E","2009","65","8","o1872","","10.1107/S1600536809026695","","","0.71073","MoKα","","0.1163","0.0537","","","0.1034","0.1312","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222694","5.8003","0.0008","7.8135","0.0011","25.977","0.004","90","","90","","90","","1177.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-6-{[(<i>S</i>)-2,2-Dimethyl-1,3-dioxolan-4-yl]methyl}-5,5- difluoro-5,6-dihydro-2<i>H</i>-pyran-2-one","","- C11 H14 F2 O4 -","- C11 H14 F2 O4 -","- C44 H56 F8 O16 -","4","1","GK2220","Yin, Zengsheng; Deng, Xiangjun; Yao, Rongxing; Li, Hongqi; Zhao, Pinqiao","(<i>S</i>)-6-{[(<i>S</i>)-2,2-Dimethyl-1,3-dioxolan-4-yl]methyl}-5,5-difluoro-5,6-dihydro-2<i>H</i>-pyran-2-one","Acta Crystallographica Section E","2009","65","8","o1967","","10.1107/S1600536809028256","","","0.71073","MoKα","","0.0587","0.0541","","","0.1288","0.134","","","","","","0.999","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222704","4.8057","0.0005","9.4388","0.0008","23.936","0.002","90","","90","","90","","1085.74","0.17","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2,6-Dichlorobenzyl)pyrrolidine-1,3-dione","","- C11 H9 Cl2 N O2 -","- C11 H9 Cl2 N O2 -","- C44 H36 Cl8 N4 O8 -","4","1","HB5015","Huang, Peng-Mian; Wang, Xiao-Chun","2-(2,6-Dichlorobenzyl)pyrrolidine-1,3-dione","Acta Crystallographica Section E","2009","65","8","o1762","","10.1107/S1600536809024970","","","0.7107","MoKα","","0.0339","0.0312","","","0.0708","0.0726","","","","","","1.089","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222760","8.284","0.001","12.841","0.001","17.503","0.001","90","","90","","90","","1861.9","0.3","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","lacto-N-biose I dihydrate","2-Acetamido-2-deoxy-3-<i>O</i>-β-D-galactopyranosyl-D- glucose dihydrate","","- C14 H29 N O13 -","- C14 H29 N O13 -","- C56 H116 N4 O52 -","4","1","IS2433","Wada, Masahisa; Kobayashi, Kayoko; Nishimoto, Mamoru; Kitaoka, Motomitsu; Noguchi, Keiichi","2-Acetamido-2-deoxy-3-<i>O</i>-β-<small>D</small>-galactopyranosyl-<small>D</small>-glucose dihydrate","Acta Crystallographica Section E","2009","65","8","o1781","o1782","10.1107/S1600536809024775","","","0.8","synchrotron","","0.044","0.0421","","","0.1137","0.1153","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2222778","9.1184","0.0002","11.5989","0.0002","12.1684","0.0002","90","","90","","90","","1286.97","0.04","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-(Cyclohexylcarbonyl)isonicotinohydrazide","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C52 H68 N12 O8 -","4","1","KJ2133","Naveenkumar, H. S.; Sadikun, Amirin; Ibrahim, Pazilah; Yeap, Chin Sing; Fun, Hoong-Kun","<i>N</i>'-(Cyclohexylcarbonyl)isonicotinohydrazide","Acta Crystallographica Section E","2009","65","8","o1912","","10.1107/S1600536809027469","","","0.71073","MoKα","","0.0324","0.0316","","","0.0833","0.0844","","","","","","1.112","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222819","8.407","0.0017","10.371","0.002","11.363","0.002","90","","90","","90","","990.7","0.3","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Methyl-2-(2-pyridyl)hexahydropyrimidine","","- C10 H15 N3 -","- C10 H15 N3 -","- C40 H60 N12 -","4","1","NG2608","Al-Resayes, Saud","2-Methyl-2-(2-pyridyl)hexahydropyrimidine","Acta Crystallographica Section E","2009","65","8","o1874","","10.1107/S1600536809025963","","","0.71073","MoKα","","0.0477","0.0437","","","0.1055","0.1152","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222825","4.6662","0.0002","15.3356","0.0008","20.9273","0.0012","90","","90","","90","","1497.54","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Azido-4-benzyloxy-2-methoxy-6-methylperhydropyran-3-ol","","- C14 H19 N3 O4 -","- C14 H19 N3 O4 -","- C56 H76 N12 O16 -","4","1","NG2616","Fun, Hoong-Kun; Loh, Wan-Sin; Rai, Sankappa; Shetty, Prakash; Isloor, Arun M.","5-Azido-4-benzyloxy-2-methoxy-6-methylperhydropyran-3-ol","Acta Crystallographica Section E","2009","65","8","o1972","","10.1107/S1600536809028657","","","0.71073","MoKα","","0.0746","0.0485","","","0.0928","0.1031","","","","","","1.091","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222828","6.7923","0.0006","9.9581","0.0008","20.097","0.0017","90","","90","","90","","1359.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylsulfanyl)butanoic acid","","- C13 H13 N O4 S -","- C13 H13 N O4 S -","- C52 H52 N4 O16 S4 -","4","1","PB2001","Raza, Abdul Rauf; Tahir, M. Nawaz; Saddiqa, Aisha; Danish, Muhammad; Iqbal, M. Saeed","(2<i>R</i>)-2-(1,3-Dioxoisoindolin-2-yl)-4-(methylsulfanyl)butanoic acid","Acta Crystallographica Section E","2009","65","8","o2002","","10.1107/S1600536809028992","","","0.71073","MoKα","","0.042","0.0364","","","0.0925","0.0977","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222847","9.865","0.0004","22.6135","0.0005","26.5723","0.001","90","","90","","90","","5927.8","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>cyclo</i>-(Pro-Pro-Phe-Phe-Leu-Ile-Ile-Leu-Val)","Cyclolinopeptide A methanol solvate","","- C58 H89 N9 O10 -","- C58 H89 N9 O10 -","- C232 H356 N36 O40 -","4","1","PV2179","Quail, J. Wilson; Shen, J.; Reaney, M. J. T.; Sammynaiken, R.","Cyclolinopeptide A methanol solvate","Acta Crystallographica Section E","2009","65","8","o1913","o1914","10.1107/S1600536809026841","","","0.71073","MoKα","","0.0975","0.0546","","","0.0944","0.1096","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222853","9.7427","0.0004","16.4049","0.0007","17.0658","0.0007","90","","90","","90","","2727.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>^3^,<i>N</i>^6^,2,5,7-pentaphenyl-2,5,7-triazabicyclo[2.2.1]heptane- 3,6-diamine","","- C34 H31 N5 -","- C34 H31 N5 -","- C136 H124 N20 -","4","1","RK2152","Taheri, Amir; Moosavi, Sayed Mojtaba","<i>N</i>^3^,<i>N</i>^6^,2,5,7-Pentaphenyl-2,5,7-triazabicyclo[2.2.1]heptane-3,6-diamine","Acta Crystallographica Section E","2009","65","8","o1724","","10.1107/S1600536809024416","","","0.71073","MoKα","","0.0378","0.031","","","0.0686","0.0721","","","","","","1.007","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222873","6.8148","0.0011","10.6107","0.0016","16.509","0.003","90","","90","","90","","1193.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(4-Chlorophenyl)-6-(methylsulfanyl)pyrimidin-2-amine","","- C11 H10 Cl N3 S -","- C11 H10 Cl N3 S -","- C44 H40 Cl4 N12 S4 -","4","1","SI2183","Zhao, Qi-Hua; Li, Li-Nan; Wang, Kun-Miao","4-(4-Chlorophenyl)-6-(methylsulfanyl)pyrimidin-2-amine","Acta Crystallographica Section E","2009","65","8","o1793","","10.1107/S1600536809024891","","","0.71073","MoKα","","0.0932","0.0494","","","0.0826","0.0964","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222881","10.3908","0.0001","10.6549","0.0002","22.4143","0.0004","90","","90","","90","","2481.55","0.07","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Stemofoline ethyl acetate solvate","(2<i>R</i>,3<i>R</i>,5<i>R</i>,5a<i>S</i>, 6<i>R</i>,8a<i>R</i>,9<i>S</i>)-(5<i>Z</i>)-5-[3-butyltetrahydro-6-methyl- 2,5-methano-4,3,8a-[1]propanyl[3]ylidenefuro[3,2-f][1,4]oxazepin-7(5<i>H</i>)- ylidene]-4-methoxy-3-methylfuran-2(5<i>H</i>)-one ethyl acetate solvate","","- C26 H37 N O7 -","- C26 H37 N O7 -","- C104 H148 N4 O28 -","4","1","SJ2635","Mungkornasawakul, Pitchaya; Pyne, Stephen G.; Ung, Alison T.; Jatisatienr, Araya; Willis, Anthony C.","Stemofoline ethyl acetate solvate","Acta Crystallographica Section E","2009","65","8","o1878","o1879","10.1107/S1600536809026889","","","0.71073","MoKα","","0.0512","0.0315","","0.119","0.0962","0.119","","","","","","0.908","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222889","11.9565","0.0002","14.1329","0.0002","16.1648","0.0003","90","","90","","90","","2731.53","0.08","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8<i>S</i>,9<i>R</i>,10<i>S</i>,11<i>S</i>,13<i>S</i>,14<i>S</i>,16<i>S</i>, 17<i>R</i>)-9α-bromo-11-hydroxy-10,13,16-trimethyl-3-oxo- 17-[2-(propionyloxy)acetyl]-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro- 3<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl propionate monohydrate","","- C28 H39 Br O8 -","- C28 H39 Br O8 -","- C112 H156 Br4 O32 -","4","1","TK2488","Ketuly, Kamal Aziz; A. Hadi, A. Hamid; Ng, Seik Weng","9α-Bromo analog of beclometasone dipropionate monohydrate","Acta Crystallographica Section E","2009","65","8","o1821","","10.1107/S1600536809025975","","","0.71073","MoKα","","0.0333","0.0258","","","0.0533","0.0553","","","","","","0.961","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222891","3.932","0.0001","14.7692","0.0005","20.669","0.0006","90","","90","","90","","1200.3","0.06","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-4-benzylidene-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","TK2490","Ng, Seik Weng","Orthorhombic modification of (<i>E</i>)-4-benzylidene-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one: whole molecule disorder","Acta Crystallographica Section E","2009","65","8","o1857","","10.1107/S1600536809025999","","","0.71073","MoKα","","0.058","0.044","","","0.114","0.125","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222903","8.6323","0.0001","11.8736","0.0002","13.5619","0.0002","90","","90","","90","","1390.05","0.04","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,4-Diazoniabicyclo[2.2.2]octane tetrabromidocadmate(II) monohydrate","","- C6 H16 Br4 Cd N2 O -","- C6 H16 Br4 Cd N2 O -","- C24 H64 Br16 Cd4 N8 O4 -","4","1","TK2504","Lo, Kong Mun; Ng, Seik Weng","1,4-Diazoniabicyclo[2.2.2]octane tetrabromidocadmate(II) monohydrate","Acta Crystallographica Section E","2009","65","8","m973","","10.1107/S160053680902813X","","","0.71073","MoKα","","0.061","0.057","","","0.184","0.187","","","","","","1.356","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2222907","7.3595","0.0001","11.5145","0.0002","16.9945","0.0002","90","","90","","90","","1440.13","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-deoxy-6-iodo-1,2:3,4-di-<i>O</i>-isopropylidene-α-D-galactopyranoside","","- C12 H19 I O5 -","- C12 H19 I O5 -","- C48 H76 I4 O20 -","4","1","TK2509","Fun, Hoong-Kun; Liew, Wei-Ching; Rai, Sankappa; Shetty, Prakash; Isloor, Arun M.","An orthorhombic polymorph of 6-deoxy-6-iodo-1,2:3,4-di-<i>O</i>-isopropylidene-α-<small>D</small>-galactopyranoside","Acta Crystallographica Section E","2009","65","8","o1999","o2000","10.1107/S1600536809029031","","","0.71073","MoKα","","0.048","0.035","","","0.074","0.096","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222921","7.31","0.001","12.346","0.002","18.431","0.003","90","","90","","90","","1663.4","0.4","285","2","285","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3α-Hydroxy-<i>ent</i>-atis-16-en-14-one","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","XU2540","Wang, Huan; Yu, Kai-Bei; Ding, Li-Sheng; Luo, Xiao-Duo; Zhang, Xiao-Feng","3α-Hydroxy-<i>ent</i>-atis-16-en-14-one","Acta Crystallographica Section E","2009","65","8","o1832","","10.1107/S1600536809026002","","","0.71073","MoKα","","0.0614","0.0399","","","0.0718","0.0756","","","","","","0.963","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222945","9.549","0.0019","10.584","0.002","11.693","0.002","90","","90","","90","","1181.8","0.4","300","1","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3-gexamethylene-3,4-dihydroquinazolin-4-one","6,7,8,9,10,11-Hexahydro-13<i>H</i>-azocino[2,1-<i>b</i>]quinazolin-13-one","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C56 H64 N8 O4 -","4","1","ZL2205","Okmanov, Rasul Ya.; Samarov, Zafir U.; Turgunov, Kambarali K.; Tashkhodjaev, Bakhodir; Shakhidoyatov, Khusniddin M.","6,7,8,9,10,11-Hexahydro-13<i>H</i>-azocino[2,1-<i>b</i>]quinazolin-13-one","Acta Crystallographica Section E","2009","65","8","o1776","","10.1107/S160053680902460X","","","0.71073","MoKα","","0.0442","0.0346","","","0.0721","0.0789","","","","","","1.167","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2222946","7.7471","0.0015","8.1758","0.0016","28.625","0.006","90","","90","","90","","1813.1","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2'-(Biphenyl-4,4'-diyldioxy)diacetic acid <i>N</i>,<i>N</i>-dimethylformamide solvate","","- C19 H21 N O7 -","- C19 H21 N O7 -","- C76 H84 N4 O28 -","4","1","ZL2216","Cao, Yu-Juan","2,2'-(Biphenyl-4,4'-diyldioxy)diacetic acid <i>N</i>,<i>N</i>-dimethylformamide solvate","Acta Crystallographica Section E","2009","65","8","o1851","","10.1107/S1600536809025914","","","0.71073","MoKα","","0.051","0.0422","","","0.1082","0.1155","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222950","6.9378","0.0005","12.5291","0.0011","16.0726","0.0014","90","","90","","90","","1397.1","0.2","296","1","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,4<i>R</i>)-2-Hydroxy-4-(2-methoxyphenyl)bicyclo[3.3.1]nonan-9-one","","- C16 H20 O3 -","- C16 H20 O3 -","- C64 H80 O12 -","4","1","ZL2227","Luo, Shuping; Zhang, Guangcun; Zhang, Shuai; Wang, Yifeng; Zhang, Wei","(2<i>R</i>,4<i>R</i>)-2-Hydroxy-4-(2-methoxyphenyl)bicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2009","65","8","o2012","","10.1107/S1600536809028980","","","0.71075","MoKα","","","0.0316","","","","0.061","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222962","4.858","0.0002","14.078","0.0005","18.684","0.0007","90","","90","","90","","1277.82","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(1,3-Benzoxazol-2-ylsulfanyl)-1-phenylethanone","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","AT2859","Loghmani-Khouzani, Hossein; Hajiheidari, Dariush; Robinson, Ward T.; Abdul Rahman, Noorsaadah; Kia, Reza","2-(1,3-Benzoxazol-2-ylsulfanyl)-1-phenylethanone","Acta Crystallographica Section E","2009","65","9","o2287","","10.1107/S1600536809033960","","","0.71073","MoKα","","0.0498","0.0404","","","0.0884","0.093","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222964","8.1682","0.0002","14.1247","0.0003","16.0672","0.0005","90","","90","","90","","1853.73","0.08","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 5-methyl-4-oxo-3-phenyl-2-propylamino-3,4- dihydrothieno[2,3-<i>d</i>]pyrimidine-6-carboxylate","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C76 H84 N12 O12 S4 -","4","1","AT2864","Zheng, Ai-Hua; Ren, Yan-Mei; Xu, Jing","Ethyl 5-methyl-4-oxo-3-phenyl-2-propylamino-3,4-dihydrothieno[2,3-<i>d</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2009","65","9","o2266","","10.1107/S1600536809033595","","","0.71073","MoKα","","0.0555","0.0527","","","0.1337","0.1361","","","","","","1.132","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222982","11.1556","0.0002","12.2281","0.0002","19.3476","0.0004","90","","90","","90","","2639.24","0.08","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(8<i>S</i>,9<i>R</i>,10<i>S</i>,11<i>S</i>,13<i>S</i>,14<i>S</i>,16<i>S</i>, 17<i>R</i>)-4,4-Dichloro-16β-methyl-3,20-dioxo-17,21-bis(propanoyloxy)- 5β,8β-epoxypregna-1,9-diene","","- C28 H34 Cl2 O7 -","- C28 H34 Cl2 O7 -","- C112 H136 Cl8 O28 -","4","1","BT5010","Ketuly, Kamal Aziz; A. Hadi, A. Hamid; Ng, Seik Weng","(8<i>S</i>,9<i>R</i>,10<i>S</i>,11<i>S</i>,13<i>S</i>,14<i>S</i>,16<i>S</i>,17<i>R</i>)-4,4-Dichloro-16β-methyl-3,20-dioxo-17,21-bis(propanoyloxy)-5β,8β-epoxypregna-1,9-diene","Acta Crystallographica Section E","2009","65","9","o2220","","10.1107/S1600536809028293","","","0.71073","MoKα","","0.0676","0.0484","","","0.1055","0.116","","","","","","1.032","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2222986","8.0415","0.0008","15.716","0.002","16.098","0.001","90","","90","","90","","2034.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-{4-[(<i>E</i>)-2-(4,6-Dimethyl-1,3,5-triazin-2-yl)ethenyl]phenyl}-9<i>H</i>- carbazole","","- C25 H20 N4 -","- C25 H20 N4 -","- C100 H80 N16 -","4","1","BT5017","Liu, Chang-Lin; Xue, Gang; Cui, Yue-Zhi; Li, Tian-Duo; Ng, Seik Weng","9-{4-[(<i>E</i>)-2-(4,6-Dimethyl-1,3,5-triazin-2-yl)ethenyl]phenyl}-9<i>H</i>-carbazole","Acta Crystallographica Section E","2009","65","9","o2095","","10.1107/S1600536809030359","","","0.71073","MoKα","","0.1105","0.0553","","","0.1148","0.1596","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223015","7.188","0.0013","15.114","0.003","15.358","0.003","90","","90","","90","","1668.5","0.6","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-3-(2-methoxyphenyl)imidazolium tetrafluoroborate","","- C17 H17 B F4 N2 O -","- C17 H17 B F4 N2 O -","- C68 H68 B4 F16 N8 O4 -","4","1","CI2870","Jiang, Ping","1-Benzyl-3-(2-methoxyphenyl)imidazolium tetrafluoroborate","Acta Crystallographica Section E","2009","65","9","o2178","","10.1107/S1600536809031602","","","0.71073","MoKα","","0.0473","0.0439","","","0.1126","0.1156","","","","","","1","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223018","7.188","0.0003","11.138","0.0004","24.6389","0.001","90","","90","","90","","1972.59","0.13","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>-cyano-7α-methoxycarbonyl-6,14-<i>endo</i>-ethenotetrahydronorthebaine","methyl 17-cyano-3,6-dimethoxy-4,5α-epoxy-6,14- <i>endo</i>-ethenomorphinan-7-carboxylate","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C92 H96 N8 O20 -","4","1","CI2873","Odabaşoğlu, Mustafa; Yavuz, Serkan; Pamir, Özgür; Büyükgüngör, Orhan; Yıldırır, Yılmaz","<i>N</i>-Cyano-7α-methoxycarbonyl-6,14-<i>endo</i>-ethenotetrahydronorthebaine","Acta Crystallographica Section E","2009","65","9","o2205","o2206","10.1107/S1600536809032450","","","0.71073","MoKα","","0.043","0.0363","","","0.0869","0.0894","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223060","9.433","0.002","14.824","0.004","15.239","0.004","90","","90","","90","","2130.9","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(1<i>H</i>-Benzotriazol-1-yl)-1-(4-ethylbenzoyl)ethyl 2-chlorobenzoate","","- C24 H20 Cl N3 O3 -","- C24 H20 Cl N3 O3 -","- C96 H80 Cl4 N12 O12 -","4","1","HB5022","Zeng, Wu-Lan; Jian, Fang-Fang","2-(1<i>H</i>-Benzotriazol-1-yl)-1-(4-ethylbenzoyl)ethyl 2-chlorobenzoate","Acta Crystallographica Section E","2009","65","9","o2165","","10.1107/S1600536809031912","","","0.71073","MoKα","","0.167","0.0567","","","0.1198","0.1576","","","","","","0.906","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223073","7.7941","0.0009","11.7032","0.0019","16.85","0.003","90","","90","","90","","1537","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[2-(2-Pyridyl)ethyl]isoindolinium perchlorate","","- C15 H17 Cl N2 O4 -","- C15 H17 Cl N2 O4.004 -","- C60 H68 Cl4 N8 O16.016 -","4","1","HB5043","Butcher, Ray J.; Tesema, Yohannes T.; Yisgedu, Teshome B.; Gultneh, Yilma","2-[2-(2-Pyridyl)ethyl]isoindolinium perchlorate","Acta Crystallographica Section E","2009","65","9","o2175","","10.1107/S1600536809032024","","","0.71073","MoKα","","0.0558","0.0441","","","0.1109","0.1203","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223077","5.5778","0.0012","13.589","0.003","14.943","0.003","90","","90","","90","","1132.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2-Furylmethylaminomethyl)-4-sulfanylphenol","","- C12 H13 N O2 S -","- C12 H13 N O2 S -","- C48 H52 N4 O8 S4 -","4","1","HB5047","Chen, Wu; Liu, Lian; Xu, Di; Zeng, Qing-Fu","2-(2-Furylmethylaminomethyl)-4-sulfanylphenol","Acta Crystallographica Section E","2009","65","9","o2204","","10.1107/S1600536809032401","","","0.71073","MoKα","","0.0742","0.0583","","","0.1488","0.1662","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223103","9.234","0.0018","9.852","0.002","14.266","0.003","90","","90","","90","","1297.8","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4<i>S</i>,5<i>S</i>)-2-(3-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C48 H56 N8 O20 -","4","1","HK2731","Wang, De-Cai; Ge, Tao; Wu, Wen-Yuan; Xu, Wei; Yang, Zheng","(4<i>S</i>,5<i>S</i>)-2-(3-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide","Acta Crystallographica Section E","2009","65","9","o2230","","10.1107/S1600536809032991","","","0.71073","MoKα","","0.0592","0.0495","","","0.123","0.1321","","","","","","1.33","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223105","12.731","0.0016","16.499","0.002","30.704","0.004","90","","90","","90","","6449.3","1.4","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,4'-Diazenediyldipyridinium 4-(4-pyridyldiazenyl)pyridinium octacyanidotungstate(V) dihydrate","","- C28 H23 N16 O2 W -","- C28 H23 N16 O2 W -","- C224 H184 N128 O16 W8 -","8","2","HK2738","Qian, Su-Yan; Liu, Wen-Yan; Yuan, Ai-Hua","4,4'-Diazenediyldipyridinium 4-(4-pyridyldiazenyl)pyridinium octacyanidotungstate(V) dihydrate","Acta Crystallographica Section E","2009","65","9","m1031","m1032","10.1107/S1600536809030153","","","0.71073","MoKα","","0.0691","0.0468","","","0.0977","0.1021","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223109","7.2851","0.0017","11.716","0.003","14.978","0.003","90","","90","","90","","1278.4","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-(2-Chlorobenzylidene)-4-hydroxybenzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","HK2750","Hao, Yu-Mei","<i>N</i>'-(2-Chlorobenzylidene)-4-hydroxybenzohydrazide","Acta Crystallographica Section E","2009","65","9","o2098","","10.1107/S1600536809030797","","","0.71073","MoKα","","0.0788","0.0455","","","0.0896","0.1049","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223128","4.387","0.0001","10.9626","0.0003","16.9778","0.0004","90","","90","","90","","816.51","0.03","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4-diiodoaniline","2,4-Diiodoaniline","","- C6 H5 I2 N -","- C6 H5 I2 N -","- C24 H20 I8 N4 -","4","1","IS2440","Smith, Graham; Wermuth, Urs D.","2,4-Diiodoaniline","Acta Crystallographica Section E","2009","65","9","o2108","","10.1107/S1600536809030438","","","0.71073","MoKα","","0.0195","0.0179","","","0.0378","0.0381","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223132","7.346","0.0003","11.7721","0.0005","15.2377","0.0008","90","","90","","90","","1317.72","0.1","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[2-(2-Chlorophenyl)-2-hydroxyethyl]propan-2-aminium chloride","","- C11 H17 Cl2 N O -","- C11 H17 Cl2 N O -","- C44 H68 Cl8 N4 O4 -","4","1","IS2447","Song, Bi-Wei; Xie, Lin-Jun; Dong, Ling-Ling; Tang, Zhan; Feng, Hai","<i>N</i>-[2-(2-Chlorophenyl)-2-hydroxyethyl]propan-2-aminium chloride","Acta Crystallographica Section E","2009","65","9","o2187","","10.1107/S1600536809031146","","","0.71073","MoKα","","0.0765","0.0323","","","0.074","0.1065","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223134","8.9206","0.0001","10.7552","0.0002","12.4934","0.0002","90","","90","","90","","1198.65","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N'</i>-[(3-Methyl-2-thienyl)carbonyl]isonicotinohydrazide","","- C12 H11 N3 O2 S -","- C12 H11 N3 O2 S -","- C48 H44 N12 O8 S4 -","4","1","IS2451","Naveenkumar, H. S.; Sadikun, Amirin; Ibrahim, Pazilah; Goh, Jia Hao; Fun, Hoong-Kun","<i>N</i>'-[(3-Methyl-2-thienyl)carbonyl]isonicotinohydrazide","Acta Crystallographica Section E","2009","65","9","o2235","o2236","10.1107/S1600536809033030","","","0.71073","MoKα","","0.0391","0.036","","","0.0941","0.0966","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223155","8.617","0.0002","10.4615","0.0003","13.2693","0.0005","90","","90","","90","","1196.18","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C52 H56 O20 -","4","1","LH2882","Booth, K. Victoria; Jenkinson, Sarah F.; Fleet, George W. J.; Watkin, David J.","2,3-<i>O</i>-(<i>S</i>)-Benzylidene-2-<i>C</i>-methyl-<small>D</small>-ribono-1,4-lactone","Acta Crystallographica Section E","2009","65","9","o2199","","10.1107/S1600536809032796","","","0.71073","MoKα","","0.0404","0.0327","","0.0753","0.0715","0.0753","","","","","","0.9608","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223195","9.898","0.005","12.648","0.005","15.126","0.005","90","","90","","90","","1893.6","1.4","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-2-Phenyl-3-pivaloyl-1,1-dipropylguanidine","","- C18 H29 N3 O -","- C18 H29 N3 O -","- C72 H116 N12 O4 -","4","1","SU2130","Said, Muhammad; Murtaza, Ghulam; Freisinger, Eva; Anwar, Saeed; Rauf, Abdur","(<i>Z</i>)-2-Phenyl-3-pivaloyl-1,1-dipropylguanidine","Acta Crystallographica Section E","2009","65","9","o2073","o2074","10.1107/S160053680902978X","","","0.71073","MoKα","","0.086","0.0564","","","0.1228","0.1336","","","","","","0.97","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223231","6.8245","0.0001","13.4874","0.0002","32.2233","0.0005","90","","90","","90","","2965.99","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3-acetoxy-3-dehydroxyursolate","","- C33 H52 O4 -","- C33 H52 O4 -","- C132 H208 O16 -","4","1","XU2574","Abdullah, Nor Hayati; Awang, Khalijah; Thomas, Noel F.; Ng, Seik Weng","Methyl 3-acetoxy-3-dehydroxyursolate","Acta Crystallographica Section E","2009","65","9","o2114","","10.1107/S1600536809030657","","","0.71073","MoKα","","0.0401","0.0361","","","0.0958","0.0986","","","","","","1.073","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223232","8.0298","0.0002","8.4775","0.0002","39.0492","0.0007","90","","90","","90","","2658.18","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3-dehydroxy-3-oxoursolate","","- C31 H48 O3 -","- C31 H48 O3 -","- C124 H192 O12 -","4","1","XU2575","Awang, Khalijah; Abdullah, Nor Hayati; Thomas, Noel F.; Ng, Seik Weng","Methyl 3-dehydroxy-3-oxoursolate","Acta Crystallographica Section E","2009","65","9","o2113","","10.1107/S1600536809030669","","","0.71073","MoKα","","0.0424","0.0374","","","0.0921","0.0952","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223269","9.4467","0.0004","12.7438","0.0005","17.3257","0.0007","90","","90","","90","","2085.79","0.15","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Ns-Diala-amidopropylbromide","<i>N</i>-{1-[(3-Bromopropyl)aminocarbonyl]ethyl}-2-(2- nitrobenzenesulfonamido)propionamide","","- C15 H21 Br N4 O6 S -","- C15 H21 Br N4 O6 S -","- C60 H84 Br4 N16 O24 S4 -","4","1","BG2284","Thirupathi, Ravula; Reddy, Damodara N.; Brinda, S.; Prabhakaran, Erode N.","<i>N</i>-{1-[(3-Bromopropyl)aminocarbonyl]ethyl}-2-(2-nitrobenzenesulfonamido)propionamide","Acta Crystallographica Section E","2009","65","10","o2308","o2309","10.1107/S1600536809034291","","","0.71073","MoKα","","0.0772","0.0471","","","0.1271","0.1383","","","","","","1.097","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223293","7.3658","0.0003","14.8013","0.0008","17.4556","0.001","90","","90","","90","","1903.07","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2,4-Trimethyl-5-(4-tolylsulfonyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepine","","- C19 H24 N2 O2 S -","- C19 H24 N2 O2 S -","- C76 H96 N8 O8 S4 -","4","1","BT5042","Ravichandran, K.; Sathiyaraj, K.; Ilango, S. S.; Ponnuswamy, S.; Ponnuswamy, M. N.","2,2,4-Trimethyl-5-(4-tolylsulfonyl)-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepine","Acta Crystallographica Section E","2009","65","10","o2363","o2364","10.1107/S1600536809034837","","","0.71073","MoKα","","0.0871","0.0465","","","0.1122","0.1452","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223294","11.5365","0.0003","14.5935","0.0004","23.2102","0.0006","90","","90","","90","","3907.62","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>p</i>-chlorophenyl-bis(6-amino-1,3-dimethyluracil-5-yl)methane","6,6'-Diamino-1,1',3,3'-tetramethyl-5,5'-(4-chlorobenzylidene)bis[pyrimidine- 2,4(1<i>H</i>,3<i>H</i>)-dione]","","- C19 H21 Cl N6 O4 -","- C19 H21 Cl N6 O4 -","- C152 H168 Cl8 N48 O32 -","8","2","BT5045","Das, Subrata; Saikia, Binoy K.; Das, Babulal; Saikia, Lakhinath; Thakur, Ashim J.","6,6'-Diamino-1,1',3,3'-tetramethyl-5,5'-(4-chlorobenzylidene)bis[pyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione]","Acta Crystallographica Section E","2009","65","10","o2416","o2417","10.1107/S1600536809035818","","","0.71073","MoKα","","0.0844","0.0563","","","0.1508","0.1664","","","","","","1.058","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223320","8.9684","0.0014","9.4809","0.0015","15.278","0.004","90","","90","","90","","1299.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>S</i>,3<i>R</i>,5<i>S</i>)-5-(1<i>H</i>-Benzimidazol-2- yl)cyclohexane-1,2,3,5-tetraol monohydrate","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","BX2237","Cai, Ying","(1<i>R</i>,2<i>S</i>,3<i>R</i>,5<i>S</i>)-5-(1<i>H</i>-Benzimidazol-2-yl)cyclohexane-1,2,3,5-tetraol monohydrate","Acta Crystallographica Section E","2009","65","10","o2547","","10.1107/S1600536809037957","","","0.71073","MoKα","","0.0352","0.0329","","","0.0772","0.0786","","","","","","1.082","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223338","5.1413","0.0001","13.9754","0.0002","18.2647","0.0002","90","","90","","90","","1312.35","0.03","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-1-(4-Aminophenyl)-3-(2-thienyl)prop-2-en-1-one ethanol hemisolvate","","- C14 H14 N O1.5 S -","- C14.006 H14 N O1.5 S -","- C56.024 H56 N4 O6 S4 -","4","1","CI2908","Fun, Hoong-Kun; Kobkeatthawin, Thawanrat; Chantrapromma, Suchada","(2<i>E</i>)-1-(4-Aminophenyl)-3-(2-thienyl)prop-2-en-1-one ethanol hemisolvate","Acta Crystallographica Section E","2009","65","10","o2532","o2533","10.1107/S1600536809037933","","","0.71073","MoKα","","0.0647","0.0609","","","0.1995","0.2051","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2223349","5.131","0.003","8.446","0.004","32.502","0.016","90","","90","","90","","1408.5","1.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[4-(Dimethylamino)benzylidene]benzohydrazide","","- C16 H17 N3 O -","- C16 H17 N3 O -","- C64 H68 N12 O4 -","4","1","CV2609","Cui, Chuansheng; Meng, Qingan; Wang, Yong","<i>N</i>'-[4-(Dimethylamino)benzylidene]benzohydrazide","Acta Crystallographica Section E","2009","65","10","o2472","","10.1107/S1600536809036460","","","0.71073","MoKα","","0.102","0.0479","","","0.0601","0.066","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223360","5.94","0.004","8.198","0.004","20.896","0.013","90","","90","","90","","1017.6","1.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>RS</i>/<i>SR</i>)-2-Oxo-4-phenylazetidin-3-yl acetate","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","DN2490","Li, Yangjun","(<i>RS</i>/<i>SR</i>)-2-Oxo-4-phenylazetidin-3-yl acetate","Acta Crystallographica Section E","2009","65","10","o2590","","10.1107/S1600536809038860","","","0.71073","MoKα","","0.0574","0.0405","","","0.1153","0.1246","","","","","","1.17","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223422","5.106","0.0001","14.622","0.0003","17.392","0.0004","90","","90","","90","","1298.49","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(1,3-Benzothiazol-2-ylsulfanyl)-1-phenylethanone","","- C15 H11 N O S2 -","- C15 H11 N O S2 -","- C60 H44 N4 O4 S8 -","4","1","HK2756","Loghmani-Khouzani, Hossein; Hajiheidari, Dariush; Robinson, Ward T.; Abdul Rahman, Noorsaadah; Kia, Reza","2-(1,3-Benzothiazol-2-ylsulfanyl)-1-phenylethanone","Acta Crystallographica Section E","2009","65","10","o2441","","10.1107/S1600536809033121","","","0.71073","MoKα","","0.0285","0.0268","","","0.0671","0.0679","","","","","","1.068","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223431","9.518","0.002","15.68","0.005","15.846","0.005","90","","90","","90","","2364.9","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Quininium tetrachloridozinc(II)","2-[hydroxy(6-methoxyquinolin-1-ium-4-yl)methyl]-8-vinylquinuclidin-1-ium tetrachloridozinc(II)","","- C20 H26 Cl4 N2 O2 Zn -","- C20 H26 Cl4 N2 O2 Zn -","- C80 H104 Cl16 N8 O8 Zn4 -","4","1","HY2224","Chen, Li-Zhuang","Quininium tetrachloridozinc(II)","Acta Crystallographica Section E","2009","65","10","m1172","","10.1107/S1600536809035442","","","0.71073","MoKα","","0.0378","0.0342","","","0.085","0.087","","","","","","1.086","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223435","4.6454","0.0009","9.597","0.002","21.31","0.004","90","","90","","90","","950","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Acetylpyridinium hydrogen sulfate","","- C7 H9 N O5 S -","- C7 H9 N O5 S -","- C28 H36 N4 O20 S4 -","4","1","IM2126","Fu, Xue-qun","4-Acetylpyridinium hydrogen sulfate","Acta Crystallographica Section E","2009","65","10","o2385","","10.1107/S1600536809035417","","","0.71073","MoKα","","0.0754","0.0533","","","0.1438","0.1696","","","","","","0.931","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223440","10.3488","0.0001","11.5379","0.0001","26.983","0.0003","90","","90","","90","","3221.86","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,2:5,6-Di-<i>O</i>-isopropylidene-α-D-3-glucofuranosyl (<i>R</i>~p~)-2-(diphenylphosphino)ferrocene-1-carboxylate","","- C35 H37 Fe O7 P -","- C35 H37 Fe O7 P -","- C140 H148 Fe4 O28 P4 -","4","1","IM2141","Štěpnička, Petr; Lamač, Martin; Císařová, Ivana","1,2:5,6-Di-<i>O</i>-isopropylidene-α-<small>D</small>-3-glucofuranosyl (<i>R</i>~p~)-2-(diphenylphosphino)ferrocene-1-carboxylate","Acta Crystallographica Section E","2009","65","10","m1252","m1253","10.1107/S1600536809038653","","","0.71073","MoKα","","0.0501","0.0421","","","0.1058","0.1118","","","","","","1.074","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223466","8.391","0.003","15.102","0.005","19.569","0.007","90","","90","","90","","2479.8","1.5","298","1","298","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4-Bis{(+)-(<i>S</i>)-[1-(1-naphthyl)ethyl]iminomethyl}benzene","","- C32 H28 N2 -","- C32 H28 N2 -","- C128 H112 N8 -","4","1","LH2874","Espinosa Leija, Armando; Bernès, Sylvain; Hernández, Guadalupe; Sharma, Pankaj; Peña, Ulises; Gutiérrez, René","1,4-Bis{(+)-(<i>S</i>)-[1-(1-naphthyl)ethyl]iminomethyl}benzene","Acta Crystallographica Section E","2009","65","10","o2317","","10.1107/S1600536809033455","","","0.71073","MoKα","","0.1026","0.0523","","","0.1198","0.1625","","","","","","1.097","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223469","11.08","0.002","12.408","0.003","13.532","0.003","90","","90","","90","","1860.4","0.7","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Menthyl 2-oxo-2<i>H</i>-chromene-3-carboxylate","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","LH2883","Xu, Cui-Lian; Liu, Shan-Yu; Chen, Gang; Yang, Guo-Yu; Zhao, Ming-Qin","Menthyl 2-oxo-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2009","65","10","o2431","","10.1107/S1600536809035995","","","0.71073","MoKα","","0.072","0.0565","","","0.1295","0.1376","","","","","","1.089","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223483","12.7862","0.0005","13.016","0.0005","16.8232","0.0006","90","","90","","90","","2799.8","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(6-Benzyloxy-2,2-dimethylperhydrofuro[2,3-<i>d</i>][1,3]dioxolan-5-yl)- 5-(4-chlorophenyl)-4-nitro-2-phenyl-2,3,4,5-tetrahydroisoxazole","","- C29 H29 Cl N2 O7 -","- C29 H29 Cl N2 O7 -","- C116 H116 Cl4 N8 O28 -","4","1","LX2103","NizamMohideen, M.; Damodiran, M.; SubbiahPandi, A.; Perumal, P. T.","3-(6-Benzyloxy-2,2-dimethylperhydrofuro[2,3-<i>d</i>][1,3]dioxolan-5-yl)-5-(4-chlorophenyl)-4-nitro-2-phenyl-2,3,4,5-tetrahydroisoxazole","Acta Crystallographica Section E","2009","65","10","o2305","o2306","10.1107/S1600536809034096","","","0.71073","MoKα","","0.0638","0.0366","","","0.0766","0.0882","","","","","","1.017","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223486","7.375","0.001","10.77","0.002","16.906","0.002","90","","90","","90","","1342.8","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(1-hydroxyimino)ethyl-<i>N</i>-(4'-nitrobenzylidene)aniline","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","LX2109","Zhao, Li; Dong, Wen-Kui; Wu, Jian-Chao; Sun, Yin-Xia; Xu, Li","4-[1-(Hydroxyimino)ethyl]-<i>N</i>-(4-nitrobenzylidene)aniline","Acta Crystallographica Section E","2009","65","10","o2462","","10.1107/S1600536809033753","","","0.71073","MoKα","","0.1141","0.0426","","","0.0848","0.1145","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223550","7.0988","0.0001","11.7166","0.0002","15.6592","0.0003","90","","90","","90","","1302.44","0.04","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","\ 10-Allyl-2,3-dihydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,\ 11(10<i>H</i>,11a<i>H</i>)-dione","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","SJ2637","Benzeid, Hanane; Essassi, El Mokhtar; Saffon, Nathalie; Garrigues, Bernard; Ng, Seik Weng","10-Allyl-2,3-dihydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,11(10<i>H</i>,11a<i>H</i>)-dione","Acta Crystallographica Section E","2009","65","10","o2322","","10.1107/S1600536809034266","","","0.71073","MoKα","","0.0617","0.0493","","","0.1353","0.1461","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223552","9.4946","0.0001","13.1716","0.0001","13.8124","0.0001","90","","90","","90","","1727.37","0.03","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-Hydroxysalvinolone","5,6,10-trihydroxy-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a- tetrahydrophenanthren-9(1<i>H</i>)-one","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","SJ2639","Salae, Abdul Wahab; Chantrapromma, Suchada; Fun, Hoong-Kun; Karalai, Chatchanok","6-Hydroxysalvinolone","Acta Crystallographica Section E","2009","65","10","o2379","o2380","10.1107/S1600536809034990","","","0.71073","MoKα","","0.044","0.0387","","","0.1059","0.1135","","","","","","1.092","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223567","10.6867","0.0002","12.9015","0.0003","14.1042","0.0002","90","","90","","90","","1944.61","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl (<i>S</i>~p~)-2-(diphenylphosphino)ferrocene-1-carboxylate","","- C24 H21 Fe O2 P -","- C24 H21 Fe O2 P -","- C96 H84 Fe4 O8 P4 -","4","1","SU2145","Štěpnička, Petr; Tauchman, Jiří; Císařová, Ivana","Methyl (<i>S</i>~p~)-2-(diphenylphosphino)ferrocene-1-carboxylate","Acta Crystallographica Section E","2009","65","10","m1216","","10.1107/S1600536809036654","","","0.71073","MoKα","","0.0273","0.0247","","","0.0579","0.0595","","","","","","1.06","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223591","9.78","0.002","14.859","0.003","20.466","0.005","90","","90","","90","","2974.1","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diethyl 1-acetyl-4'-(4-chlorophenyl)-5'-(4-nitrophenyl)- 2-oxospiro[indoline-3,3'-pyrrolidine]-2',2'-dicarboxylate","","- C31 H28 Cl N3 O8 -","- C31 H28 Cl N3 O8 -","- C124 H112 Cl4 N12 O32 -","4","1","XU2602","He, Long","Diethyl 1-acetyl-4'-(4-chlorophenyl)-5'-(4-nitrophenyl)-2-oxospiro[indoline-3,3'-pyrrolidine]-2',2'-dicarboxylate","Acta Crystallographica Section E","2009","65","10","o2388","","10.1107/S160053680903551X","","","1.54184","CuKα","","0.0349","0.0329","","","0.0654","0.0662","","","","","","1","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223635","6.8576","0.0005","7.4936","0.0006","18.5003","0.0014","90","","90","","90","","950.7","0.13","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Chloro-8-methylquinoline-3-carbaldehyde","","- C11 H8 Cl N O -","- C11 H8 Cl N O -","- C44 H32 Cl4 N4 O4 -","4","1","BT5085","Khan, F. Nawaz; Subashini, R.; Kushwaha, Atul Kumar; Hathwar, Venkatesha R.; Ng, Seik Weng","2-Chloro-8-methylquinoline-3-carbaldehyde","Acta Crystallographica Section E","2009","65","11","o2722","","10.1107/S1600536809040859","","","0.71073","MoKα","","0.0638","0.0476","","","0.1239","0.1364","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223646","12.5268","0.0004","12.9226","0.0004","14.6835","0.0005","90","","90","","90","","2376.95","0.13","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2,6-Dimethylphenyl)maleamic acid","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C96 H104 N8 O24 -","8","2","BT5099","Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Shakuntala, K.; Fuess, Hartmut","<i>N</i>-(2,6-Dimethylphenyl)maleamic acid","Acta Crystallographica Section E","2009","65","11","o2807","","10.1107/S1600536809042470","","","0.71073","MoKα","","0.0378","0.0319","","","0.0866","0.0885","","","","","","1.068","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223655","8.1634","0.0003","11.881","0.0006","13.4469","0.0007","90","","90","","90","","1304.21","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Methyl-6-[2-(trifluoromethyl)phenyliminomethyl]phenol","","- C15 H12 F3 N O -","- C15 H12 F3 N O -","- C60 H48 F12 N4 O4 -","4","1","BT5114","Tanak, Hasan; Yavuz, Metin; Büyükgüngör, Orhan","2-Methyl-6-[2-(trifluoromethyl)phenyliminomethyl]phenol","Acta Crystallographica Section E","2009","65","11","o2949","","10.1107/S1600536809044560","","","0.71073","MoKα","","0.0355","0.0308","","","0.0788","0.0812","","","","","","1.068","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223685","7.9766","0.0005","8.7263","0.0004","13.0191","0.0007","90","","90","","90","","906.21","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[<i>N</i>-(2-Hydroxyethyl)ethylenediamine]oxalatocopper(II)","","- C6 H12 Cu N2 O5 -","- C6 H12 Cu N2 O5 -","- C24 H48 Cu4 N8 O20 -","4","1","CI2929","Paşaoğlu, Hümeyra; Kaştaş, Gökhan; Yeşilel, Okan Z.; Yıldırım, M. Hakkı","[<i>N</i>-(2-Hydroxyethyl)ethylenediamine]oxalatocopper(II)","Acta Crystallographica Section E","2009","65","11","m1337","m1338","10.1107/S1600536809040264","","","0.71073","MoKα","","0.0308","0.0293","","","0.0638","0.0645","","","","","","1.079","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223708","7.5655","0.0014","11.811","0.002","16.49","0.003","90","","90","","90","","1473.5","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Amino-7-(4-bromophenyl)indane-4,6-dicarbonitrile","","- C17 H12 Br N3 -","- C17 H12 Br N3 -","- C68 H48 Br4 N12 -","4","1","CV2633","Zhang, Cunlan","5-Amino-7-(4-bromophenyl)indane-4,6-dicarbonitrile","Acta Crystallographica Section E","2009","65","11","o2875","","10.1107/S1600536809043426","","","0.71073","MoKα","","0.0425","0.0304","","","0.0602","0.063","","","","","","0.954","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223734","6.973","0.0014","14.747","0.003","19.916","0.004","90","","90","","90","","2048","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Azidoethoxy-2,3,4,6-tetra-<i>O</i>-acetyl-β-D-glucoside","","- C16 H23 N3 O10 -","- C16 H23 N3 O10 -","- C64 H92 N12 O40 -","4","1","FB2162","Yang, Xiao-Hui; Zhou, Yong-Hong; Liu, Hong-Jun; Guo, Xiao-Xin","1-Azidoethoxy-2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucoside","Acta Crystallographica Section E","2009","65","11","o2651","","10.1107/S1600536809039737","","","0.71073","MoKα","","0.0862","0.0548","","","0.1375","0.1559","","","","","","1.064","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223740","5.7166","0.0004","11.1175","0.001","32.083","0.003","90","","90","","90","","2039","0.3","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(Fluoren-9-ylmethoxycarbonyl)-L-aspartic acid 4-<i>tert</i>-butyl ester","","- C23 H25 N O6 -","- C23 H25 N O6 -","- C92 H100 N4 O24 -","4","1","FJ2243","Yamada, Kazuhiko; Hashizume, Daisuke; Shimizu, Tadashi","<i>N</i>-(Fluoren-9-ylmethoxycarbonyl)-<small>L</small>-aspartic acid 4-<i>tert</i>-butyl ester","Acta Crystallographica Section E","2009","65","11","o2606","o2607","10.1107/S1600536809037611","","","0.71073","MoKα","","0.0785","0.0587","","","0.1389","0.1484","","","","","","1.129","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223744","5.522","0.0002","8.3833","0.0003","34.7414","0.0012","90","","90","","90","","1608.27","0.1","296","1","296","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-3-[(<i>S</i>,<i>E</i>)-4-(4-Chlorophenyl)-1-nitrobut-3-en- 2-yl]thian-4-one","","- C15 H16 Cl N O3 S -","- C15 H16 Cl N O3 S -","- C60 H64 Cl4 N4 O12 S4 -","4","1","FK2005","Li, Zhaobo; Wang, Yifeng; Guo, Yi; Luo, Shuping","(<i>S</i>)-3-[(<i>S</i>,<i>E</i>)-4-(4-Chlorophenyl)-1-nitrobut-3-en-2-yl]thian-4-one","Acta Crystallographica Section E","2009","65","11","o2861","","10.1107/S1600536809043608","","","0.71073","MoKα","","0.0424","0.0316","","","0.0816","0.0899","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223751","7.6193","0.0013","10.6291","0.0017","13.53","0.002","90","","90","","90","","1095.7","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-3-Pyridylmethylidene]benzohydrazide","","- C13 H11 N3 O -","- C13 H11 N3 O -","- C52 H44 N12 O4 -","4","1","GK2228","Wen, Liyuan; Yin, Handong; Li, Wenkuan; Li, Kang","<i>N</i>'-[(<i>E</i>)-3-Pyridylmethylidene]benzohydrazide","Acta Crystallographica Section E","2009","65","11","o2623","","10.1107/S160053680903894X","","","0.71073","MoKα","","0.1201","0.0417","","","0.0757","0.1043","","","","","","1.178","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223780","5.6592","0.0012","11.208","0.002","23.342","0.004","90","","90","","90","","1480.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-Methyl-<i>N</i>-(2-oxo-1-phenylethyl)benzenesulfonamide","2-(4-Methylbenzenesulfonamido)-2-phenylacetic acid","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","HB5142","Mariam, Irfana; Akkurt, Mehmet; Sharif, Shahzad; Akhtar, Noreen; Khan, Islam Ullah","2-(4-Methylbenzenesulfonamido)-2-phenylacetic acid","Acta Crystallographica Section E","2009","65","11","o2797","","10.1107/S1600536809042299","","","0.71073","MoKα","","0.183","0.066","","","0.1375","0.1919","","","","","","0.943","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223792","7.114","0.0014","9.601","0.0019","18.57","0.004","90","","90","","90","","1268.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 3-(3-ethoxy-2-hydroxybenzylidene)carbazate","","- C12 H16 N2 O4 -","- C12 H16 N2 O4 -","- C48 H64 N8 O16 -","4","1","HB5155","Li, Yu-Feng; Liu, Hai-Xing; Jian, Fang-Fang","Ethyl 3-(3-ethoxy-2-hydroxybenzylidene)carbazate","Acta Crystallographica Section E","2009","65","11","o2934","","10.1107/S1600536809044626","","","0.71073","MoKα","","0.0382","0.0349","","","0.0871","0.0901","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223818","10.362","0.002","13.962","0.003","18.069","0.004","90","","90","","90","","2614.1","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl <i>N</i>-ethylcarbamate","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C104 H136 N8 O24 -","8","2","HB5190","Li, Wen-Sheng; Li, Li; Li, Jiang-Sheng","2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl <i>N</i>-ethylcarbamate","Acta Crystallographica Section E","2009","65","11","o2928","","10.1107/S1600536809044687","","","0.71073","MoKα","","0.0805","0.0563","","","0.1377","0.1535","","","","","","1.078","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223819","9.5374","0.0013","12.9842","0.0017","15.871","0.002","90","","90","","90","","1965.4","0.4","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl)(6-methoxy-3-quinolyl)methanol methanol solvate","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C84 H112 N8 O12 -","4","1","HB5191","Muramulla, Savitha; Arman, Hadi D.; Zhao, Cong-Gui; Tiekink, Edward R. T.","(5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl)(6-methoxy-3-quinolyl)methanol methanol solvate","Acta Crystallographica Section E","2009","65","11","o2962","","10.1107/S1600536809045073","","","0.71073","MoKα","","0.04","0.039","","","0.107","0.108","","","","","","1.08","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223828","10.0545","0.0014","14.497","0.002","15.953","0.002","90","","90","","90","","2325.3","0.5","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dibutyl[<i>N</i>-(5-chloro-2-oxidobenzylidene)-L-isoleucinato- κ^3^<i>O</i>,<i>N</i>,<i>O</i>']tin(IV)","","- C21 H32 Cl N O3 Sn -","- C21 H32 Cl N O3 Sn -","- C84 H128 Cl4 N4 O12 Sn4 -","4","1","HG2563","Yang, Hong-Jun; Dang, Yan-Qiu","Dibutyl[<i>N</i>-(5-chloro-2-oxidobenzylidene)-<small>L</small>-isoleucinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']tin(IV)","Acta Crystallographica Section E","2009","65","11","m1304","","10.1107/S1600536809039245","","","0.71073","MoKα","","0.0497","0.0403","","","0.0915","0.0969","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223829","5.3563","0.0008","16.603","0.002","17.311","0.003","90","","90","","90","","1539.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{2,2'-[Pyridine-3,4-diylbis(nitrilomethylidyne)]diphenolato}zinc(II)","","- C19 H13 N3 O2 Zn -","- C19 H13 N3 O2 Zn -","- C76 H52 N12 O8 Zn4 -","4","1","HG2565","Sheng, Ning","{2,2'-[Pyridine-3,4-diylbis(nitrilomethylidyne)]diphenolato}zinc(II)","Acta Crystallographica Section E","2009","65","11","m1296","","10.1107/S1600536809038616","","","0.71073","MoKα","","0.0432","0.0395","","","0.1048","0.1092","","","","","","1.004","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223848","10.2622","0.0009","11.0105","0.0012","22.344","0.002","90","","90","","90","","2524.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-2-(2-picolinoylhydrazono)propanoato- κ^2^<i>O</i>^1^:<i>O</i>^2^]","","- C27 H23 N3 O3 Sn -","- C27 H23 N3 O3 Sn -","- C108 H92 N12 O12 Sn4 -","4","1","HY2232","Cui, Jichun; Qiao, Yanling; Ding, Longhua; Yin, Handong","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-2-(2-picolinoylhydrazono)propanoato-κ^2^<i>O</i>^1^:<i>O</i>^2^]","Acta Crystallographica Section E","2009","65","11","m1313","","10.1107/S1600536809039981","","","0.71073","MoKα","","0.0429","0.0329","","","0.0626","0.0676","","","","","","0.999","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223853","11.1608","0.0007","11.2088","0.0007","21.2562","0.0015","90","","90","","90","","2659.1","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(<i>RSS</i>)-[<i>N</i>-Hydroxyethyloxy]-hexafluoroVal‒MeLeu‒Ala <i>tert</i>-butyl ester","(2<i>S</i>,5<i>S</i>,8<i>R</i>)-<i>tert</i>-butyl 8-(1,1,1,3,3,3-hexafluoropropan-2-yl)-12-hydroxy-5-isobutyl-2,6-dimethyl- 4,7-dioxo-10-oxa-3,6,9-triazadodecanoate","","- C21 H35 F6 N3 O6 -","- C21 H35 F6 N3 O6 -","- C84 H140 F24 N12 O24 -","4","1","IM2143","Eberle, Marcel K.; Stoeckli-Evans, Helen; Keese, Reinhart","(<i>RSS</i>)-[<i>N</i>-Hydroxyethyloxy]-hexafluoroVal‒MeLeu‒Ala <i>tert</i>-butyl ester","Acta Crystallographica Section E","2009","65","11","o2900","","10.1107/S1600536809042974","","","0.71073","MoKα","","0.084","0.0769","","","0.1981","0.2012","","","","","","1.136","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223859","3.865","0.002","6.69","0.004","24.92","0.02","90","","90","","90","","644.4","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl pyrazine-2-carboxylate","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","IM2150","Zhang, Chang-Hua; Tan, Xue-Jie; Xing, Dian-Xiang","Methyl pyrazine-2-carboxylate","Acta Crystallographica Section E","2009","65","11","o2902","","10.1107/S1600536809043451","","","0.71073","MoKα","","0.1059","0.0661","","","0.1362","0.1527","","","","","","1.051","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223881","11.3317","0.0005","11.5061","0.0004","19.0663","0.0006","90","","90","","90","","2485.93","0.16","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1α,11α,15β-Triacetoxy-7β-hydroxy-7α,20-epoxy-<i>ent</i>-kaur-16-en-6-one","","- C26 H34 O9 -","- C26 H34 O9 -","- C104 H136 O36 -","4","1","JJ2009","Yan, Fu-Lin; Di, Xue-Mei; Feng, Chuang; Hou, Rei-Jie","1α,11α,15β-Triacetoxy-7β-hydroxy-7α,20-epoxy-<i>ent</i>-kaur-16-en-6-one","Acta Crystallographica Section E","2009","65","11","o2770","","10.1107/S1600536809041828","","","0.71073","MoKα","","0.0356","0.0342","","","0.0839","0.0851","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223902","8.4616","0.0001","8.8762","0.0001","15.827","0.0002","90","","90","","90","","1188.72","0.02","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Steviamine","(1<i>R</i>,2<i>S</i>,3<i>R</i>,5<i>R</i>,8a<i>R</i>)-3-Hydroxymethyl-5- methyloctahydroindolizine-1,2-diol hydrobromide","","- C10 H20 Br N -","- C10 H20 Br N O3 -","- C40 H80 Br4 N4 O12 -","4","1","LH2918","Thompson, Amber L.; Michalik, Agnieszka; Nash, Robert J.; Wilson, Francis X.; van Well, Renate; Johnson, Peter; Fleet, George W. J.; Yu, Chu-Yi; Hu, Xiang-Guo; Cooper, Richard I.; Watkin, David J.","Steviamine, a new class of indolizidine alkaloid [(1<i>R</i>,2<i>S</i>,3<i>R</i>,5<i>R</i>,8a<i>R</i>)-3-hydroxymethyl-5-methyloctahydroindolizine-1,2-diol hydrobromide]","Acta Crystallographica Section E","2009","65","11","o2904","o2905","10.1107/S1600536809043827","","","0.71073","MoKα","","0.0291","0.0251","","0.0522","0.0505","0.0522","","","","","","1.0003","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2223907","11.2955","0.0008","14.4622","0.001","23.9698","0.0016","90","","90","","90","","3915.7","0.5","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(benzimidazol-2- ylmethyl)ethane-1,2-diamine","","- C34 H34 Cu N10 O5 S -","- C34 H34 Cu N10 O5 S -","- C136 H136 Cu4 N40 O20 S4 -","4","1","LH2923","Xiao, Zuo-an; Zhan, Dan","[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(benzimidazol-2-ylmethyl)ethane-1,2-diamine]copper(II) sulfate monohydrate","Acta Crystallographica Section E","2009","65","11","m1461","m1462","10.1107/S1600536809043517","","","0.71073","MoKα","","0.0926","0.0596","","","0.1123","0.1242","","","","","","0.858","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223913","9.8666","0.0002","11.1565","0.0003","18.4884","0.0004","90","","90","","90","","2035.14","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Benzyl-3-(1,4-dioxaspiro[4.5]decan-2-yl)-8,8-dimethyl-1-oxa-2,6- diazaspiro[4.4]nonan-7,9-dione","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","LH2930","Bathich, Yaser; Shaameri, Zurina; Hamzah, Ahmad Sazali; Quah, Ching Kheng; Fun, Hoong-Kun","6-Benzyl-3-(1,4-dioxaspiro[4.5]decan-2-yl)-8,8-dimethyl-1-oxa-2,6-diazaspiro[4.4]non-2-ene-7,9-dione","Acta Crystallographica Section E","2009","65","11","o2941","o2942","10.1107/S1600536809044675","","","0.71073","MoKα","","0.0488","0.0396","","","0.0926","0.0989","","","","","","1.062","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223920","9.316","0.002","10.275","0.002","16.652","0.003","90","","90","","90","","1594","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Anilino-1,3-di-2-pyridylpropan-1-one","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","LX2115","Liu, Hai-Xing","3-Anilino-1,3-di-2-pyridylpropan-1-one","Acta Crystallographica Section E","2009","65","11","o2739","","10.1107/S160053680904121X","","","0.71073","MoKα","","0.1202","0.0478","","","0.0963","0.1183","","","","","","0.999","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223943","6.971","0.0014","6.9855","0.0014","21.806","0.004","90","","90","","90","","1061.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pyridinium-2-carboxylate‒benzene-1,2-diol (1/1)","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","NG2670","Ton, Cuong Quoc; Bolte, Michael","Pyridinium-2-carboxylate‒benzene-1,2-diol (1/1)","Acta Crystallographica Section E","2009","65","11","o2834","","10.1107/S1600536809043207","","","0.71073","MoKα","","0.1001","0.0961","","","0.1946","0.1969","","","","","","1.227","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223951","8.385","0.002","11.5627","0.0016","30.42","0.005","90","","90","","90","","2949.3","0.9","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(23'<i>E</i>)-(23<i>R</i>,25<i>S</i>)-23-[1-(oxidoiminio)ethyl]-5β- spirostan-3β-yl acetate","","- C31 H49 N O5 -","- C31 H49 N O5 -","- C124 H196 N4 O20 -","4","1","NK2010","Hernández Linares, María-Guadalupe; Sandoval Ramírez, Jesús; Meza Reyes, Socorro; Montiel Smith, Sara; Bernès, Sylvain","The zwitterion (23'<i>E</i>)-(23<i>R</i>,25<i>S</i>)-23-[1-(oxidoiminio)ethyl]-5β-spirostan-3β-yl acetate","Acta Crystallographica Section E","2009","65","11","o2954","o2955","10.1107/S1600536809044651","","","0.71073","MoKα","","0.0592","0.0484","","","0.1213","0.1293","","","","","","1.024","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223959","7.4027","0.0007","14.2976","0.0011","17.7396","0.0013","90","","90","","90","","1877.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dimethyl 2,2'-[butane-1,4-diylbis(sulfanediyl)]dibenzoate","","- C20 H22 O4 S2 -","- C20 H22 O4 S2 -","- C80 H88 O16 S8 -","4","1","OM2290","Brito, Iván; Cárdenas, Alejandro; Albanez, Joselyn; Bolte, Michael; López-Rodríguez, Matías","Dimethyl 2,2'-[butane-1,4-diylbis(sulfanediyl)]dibenzoate","Acta Crystallographica Section E","2009","65","11","o2828","o2829","10.1107/S1600536809042846","","","0.71073","MoKα","","0.0685","0.0388","","","","0.0646","","","","","","0.732","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2223967","8.709","0.004","12.652","0.006","25.89","0.012","90","","90","","90","","2853","2","294","2","294","2","1","","","","","","","3","P 21 21 21","P 2ac 2ab","19","gochnatiolide A acetone 0.92-solvate","5'a-hydroxy-1',3,6,8'-tetrakis(methylene)- 3a,4,5,5',5'a,6,6',6a,7,7',7'a,8',9a,9b,10'a,10'b-hexadecahydro spiro[azuleno[4,5-<i>b</i>]furan-9(2<i>H</i>),3'- [3<i>H</i>]benz[1,8]azuleno[4,5-<i>b</i>]furan]- 2,2',8,9'(1'<i>H</i>,3<i>H</i>,4'<i>H</i>)-tetrone acetone 0.92-solvate","","- C32.76 H35.51 O7.92 -","- C32.757 H35.514 O7.919 -","- C131.028 H142.056 O31.676 -","4","1","PK2191","Xiong, Hui-Ping; Wu, Zhi-Jun; Chen, Dong-Sheng; Chen, Wan-Sheng","A dimeric sesquiterpene, gochnatiolide A","Acta Crystallographica Section E","2009","65","11","o2847","","10.1107/S1600536809042743","","","0.71073","MoKα","","0.0794","0.0472","","","0.1078","0.1189","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2223974","8.7892","0.0003","8.7967","0.0004","18.5217","0.0007","90","","90","","90","","1432.02","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(^S^<i>S</i>,2<i>S</i>,3<i>R</i>)-2-(2-Methylpropane-2-sulfinamido)- 3-phenylbutyronitrile","","- C14 H20 N2 O S -","- C14 H20 N2 O S -","- C56 H80 N8 O4 S4 -","4","1","PV2212","Harms, Klaus; Marsch, Michael; Oberthür, Markus; Schüler, Peter","(^S^<i>S</i>,2<i>S</i>,3<i>R</i>)-2-(2-Methylpropane-2-sulfinamido)-3-phenylbutyronitrile","Acta Crystallographica Section E","2009","65","11","o2741","","10.1107/S1600536809041233","","","0.71073","MoKα","","0.0346","0.0286","","","","0.0642","","","","","","0.924","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2223975","9.0344","0.0004","9.0617","0.0005","35.767","0.003","90","","90","","90","","2928.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(^S^<i>S</i>,2<i>S</i>,3<i>S</i>)-2-(2-Methylpropane-2-sulfinamido)-3- phenylbutyronitrile","","- C14 H20 N2 O S -","- C14 H20 N2 O S -","- C112 H160 N16 O8 S8 -","8","2","PV2213","Harms, Klaus; Marsch, Michael; Oberthür, Markus; Schüler, Peter","(^S^<i>S</i>,2<i>S</i>,3<i>S</i>)-2-(2-Methylpropan-2-sulfinamido)-3-phenylbutyronitrile","Acta Crystallographica Section E","2009","65","11","o2742","","10.1107/S1600536809041245","","","0.71073","MoKα","","0.0793","0.0462","","","","0.0736","","","","","","0.772","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224020","8.3088","0.0004","11.2802","0.0006","16.5187","0.0009","90","","90","","90","","1548.21","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1321 R,R-DPEDAditz","(1<i>R</i>,2<i>R</i>)-1,2-Diphenyl-1,2-bis(1<i>H</i>-tetrazol-1-yl)ethane","","- C16 H14 N8 -","- C16 H14 N8 -","- C64 H56 N32 -","4","1","SU2147","Werner, Franz; Mereiter, Kurt; Tokuno, Kenji; Inagaki, Yuki; Hasegawa, Miki","(1<i>R</i>,2<i>R</i>)-1,2-Diphenyl-1,2-bis(1<i>H</i>-tetrazol-1-yl)ethane","Acta Crystallographica Section E","2009","65","11","o2726","o2727","10.1107/S160053680904094X","","","0.71073","MoKα","","0.0357","0.0348","","","0.0908","0.0916","","","","","","1.102","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224025","4.8607","0.0002","12.3175","0.0006","13.0565","0.0005","90","","90","","90","","781.71","0.06","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Amino-1-naphthol","","- C10 H9 N O -","- C10 H9 N O -","- C40 H36 N4 O4 -","4","1","SU2154","Czapik, Agnieszka; Nitka, Arkadiusz; Gdaniec, Maria","5-Amino-1-naphthol","Acta Crystallographica Section E","2009","65","11","o2964","","10.1107/S1600536809045152","","","0.71073","MoKα","","0.0573","0.0359","","","0.0794","0.0913","","","","","","1.059","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224071","8.4132","0.0007","13.6767","0.001","17.0018","0.0014","90","","90","","90","","1956.3","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4-Dichloro-6-((1<i>R</i>)-1-{[(<i>R</i>)-(2- chlorophenyl)(cyclopentyl)methyl]amino}ethyl)phenol","","- C20 H22 Cl3 N O -","- C20 H22 Cl3 N O -","- C80 H88 Cl12 N4 O4 -","4","1","XU2619","Zhang, Guang-You; Chen, Di-Juan; Wang, Shu-Hong; Yang, Ting; Chang, Jian-Guo","2,4-Dichloro-6-((1<i>R</i>)-1-{[(<i>R</i>)-(2-chlorophenyl)(cyclopentyl)methyl]amino}ethyl)phenol","Acta Crystallographica Section E","2009","65","11","o2759","","10.1107/S1600536809041403","","","0.71073","MoKα","","0.0435","0.0355","","","0.0902","0.0957","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224088","8.8038","0.0008","11.3417","0.001","25.485","0.002","90","","90","","90","","2544.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(<i>R</i>)-(2-chlorophenyl)(cyclopentyl)methyl]- <i>N</i>-[(<i>R</i>)-(2-hydroxy-5-methylphenyl)(phenyl)methyl]acetamide","","- C28 H30 Cl N O2 -","- C28 H30 Cl N O2 -","- C112 H120 Cl4 N4 O8 -","4","1","XU2646","Zhang, Guang-You; Chen, Di-Juan; Wang, Shu-Hong; Yang, Ting; Chang, Jian-Guo","<i>N</i>-[(<i>R</i>)-(2-Chlorophenyl)(cyclopentyl)methyl]-<i>N</i>-[(<i>R</i>)-(2-hydroxy-5-methylphenyl)(phenyl)methyl]acetamide","Acta Crystallographica Section E","2009","65","11","o2948","","10.1107/S1600536809044808","","","0.71073","MoKα","","0.095","0.0603","","","0.1617","0.1864","","","","","","1.047","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224093","9.474","0.003","15.057","0.008","15.182","0.005","90","","90","","90","","2165.7","1.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Trimethyl 5-(2-chloro-4-fluorophenyl)-2-phenylpyrrolidine-2,3,4-tricarboxylate","","- C22 H21 Cl F N O6 -","- C22 H21 Cl F N O6 -","- C88 H84 Cl4 F4 N4 O24 -","4","1","XU2655","He, Long; Chen, Lian-Mei","Trimethyl 5-(2-chloro-4-fluorophenyl)-2-phenylpyrrolidine-2,3,4-tricarboxylate","Acta Crystallographica Section E","2009","65","11","o2927","","10.1107/S1600536809044274","","","1.54184","CuKα","","0.0245","0.0235","","","0.0599","0.0603","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224110","7.4946","0.0004","11.8669","0.0006","12.297","0.0006","90","","90","","90","","1093.67","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(<i>m</i>-Tolyliminomethyl)phenol","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","BG2304","Brink, Alice; Roodt, Andreas; Visser, Hendrik G.","2-(<i>m</i>-Tolyliminomethyl)phenol","Acta Crystallographica Section E","2009","65","12","o3175","o3176","10.1107/S1600536809049307","","","0.71073","MoKα","","","0.0426","","","","0.0994","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224123","10.9725","0.0004","15.4417","0.0006","36.2173","0.0014","90","","90","","90","","6136.4","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[[bis(<i>N</i>,<i>N</i>-dimethylformamide)iron(II)]- {μ-2,2'-bis(diphenylphosphinoyl)-<i>N</i>,<i>N</i>'-[(1<i>R</i>,2<i>R</i>)- cyclohexane-1,2-diyl]dibenzamide}] bis(perchlorate) <i>N</i>,<i>N</i>-dimethylformamide disolvate]","","- C56 H68 Cl2 Fe N6 O16 P2 -","- C56 H68 Cl2 Fe N6 O16 P2 -","- C224 H272 Cl8 Fe4 N24 O64 P8 -","4","1","BR2120","Ferrell, Grant R.; Moore, Curtis; Rheingold, Arnold L.; Daley, Christopher J. A.","<i>catena</i>-Poly[[[bis(<i>N</i>,<i>N</i>-dimethylformamide)iron(II)]-{μ-2,2'-bis(diphenylphosphinoyl)-<i>N</i>,<i>N</i>'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diyl]dibenzamide}] bis(perchlorate) <i>N</i>,<i>N</i>-dimethylformamide disolvate]","Acta Crystallographica Section E","2009","65","12","m1512","m1513","10.1107/S1600536809045188","","","0.71073","MoKα","","0.0928","0.0691","","","0.1794","0.1968","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224127","8.5995","0.0014","13.673","0.002","15.912","0.003","90","","90","","90","","1870.9","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-isopropylamino-5-methyl-4-oxo-3-phenyl-3,4- dihydrothieno[2,3-<i>d</i>]pyrimidine-6-carboxylate","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C76 H84 N12 O12 S4 -","4","1","BT5115","Zheng, Ai-Hua; Huang, Liang-Yong; Chen, E.; Luo, Hong","Ethyl 2-isopropylamino-5-methyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-<i>d</i>]pyrimidine-6-carboxylate","Acta Crystallographica Section E","2009","65","12","o2993","","10.1107/S1600536809045449","","","0.71073","MoKα","","0.0558","0.0498","","","0.1186","0.123","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2224128","5.5717","0.0003","9.4733","0.0004","22.4656","0.0014","90","","90","","90","","1185.79","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Benzylsulfanyl-9<i>H</i>-purine","","- C12 H10 N4 S -","- C12 H10 N4 S -","- C48 H40 N16 S4 -","4","1","BT5117","Fatima, Ismat; Munawar, Munawar Ali; Khan, Misbahul Ain; Nadeem, Sohail; Amjad, Rana","6-Benzylsulfanyl-9<i>H</i>-purine","Acta Crystallographica Section E","2009","65","12","o2994","","10.1107/S1600536809045140","","","0.71073","MoKα","","0.0661","0.04","","","0.0789","0.0879","","","","","","0.983","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224137","8.7982","0.0015","9.3064","0.0015","25.992","0.004","90","","90","","90","","2128.2","0.6","90","0.5","90","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3a<i>R</i>,6a<i>R</i>)-1-Phenyl-5-[(<i>R</i>)-1-phenylethyl]-3-[4-\ (trifluoromethyl)phenyl]-1,6a-dihydropyrrolo[3,4-<i>c</i>]pyrazole-\ 4,6(3a<i>H</i>,5<i>H</i>)-dione","","- C26 H20 F3 N3 O2 -","- C26 H20 F3 N3 O2 -","- C104 H80 F12 N12 O8 -","4","1","BX2247","Fronczek, Chris F.; Dürüst, Yaşar; Yildirim, Muhammet; Fronczek, Frank R.","(3a<i>R</i>,6a<i>R</i>)-1-Phenyl-5-[(<i>R</i>)-1-phenylethyl]-3-[4-(trifluoromethyl)phenyl]-1,6a-dihydropyrrolo[3,4-<i>c</i>]pyrazole-4,6(3a<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2009","65","12","o3196","o3197","10.1107/S1600536809049319","","","1.54178","CuKα","","0.0667","0.0433","","","0.0965","0.108","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224161","5.71027","0.00005","12.76978","0.00017","33.1455","0.0004","90","","90","","90","","2416.93","0.05","293","","293","","101","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methylergometrine maleate","9,10-didehydro-<i>N</i>-[1-(hydroxymethyl)propyl]-D-lysergamide maleate","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C96 H116 N12 O24 -","4","1","CV2630","Rohlíček, Jan; Hušák, Michal; Kratochvíl, Bohumil; Jegorov, Alexandr","Methylergometrine maleate from synchrotron powder diffraction data","Acta Crystallographica Section E","2009","65","12","o3252","o3253","10.1107/S1600536809050351","powder diffraction","","0.6996","synchrotron","","","","","","","","","","3.76","","","","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2224167","5.6701","0.0009","13.788","0.002","15.536","0.002","90","","90","","90","","1214.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aqua{<i>N</i>-[1-(2-oxidophenyl)ethylidene]-L-serinato}copper(II) monohydrate","","- C11 H15 Cu N O6 -","- C11 H15 Cu N O6 -","- C44 H60 Cu4 N4 O24 -","4","1","CV2643","Zhao, Gan-Qing; Tian, Da-Ming; Han, Yong-Jun; Xue, Ling-Wei; Peng, Qin-Long","Aqua{<i>N</i>-[1-(2-oxidophenyl)ethylidene]-<small>L</small>-serinato}copper(II) monohydrate","Acta Crystallographica Section E","2009","65","12","m1505","","10.1107/S1600536809045292","","","0.71073","MoKα","","0.0243","0.0223","","","0.0525","0.0533","","","","","","1.09","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224188","6.661","0.0001","10.0343","0.0002","20.2433","0.0003","90","","90","","90","","1353.03","0.04","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>R</i>)-3-(2-Chlorophenyl)-<i>N</i>-phenyloxirane-2-carboxamide","","- C15 H12 Cl N O2 -","- C15 H12 Cl N O2 -","- C60 H48 Cl4 N4 O8 -","4","1","DN2512","Chen, Lian-Mei; Kang, Tai-Ran","(2<i>R</i>,3<i>R</i>)-3-(2-Chlorophenyl)-<i>N</i>-phenyloxirane-2-carboxamide","Acta Crystallographica Section E","2009","65","12","o3126","","10.1107/S1600536809048442","","","1.54184","CuKα","","0.0425","0.0306","","","0.0803","0.1085","","","","","","1.203","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224235","10.0106","0.0001","11.8612","0.0001","21.8256","0.0002","90","","90","","90","","2591.52","0.04","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-Benzyl-7-chloro-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>- pyrrolo[3,4-<i>b</i>]quinoline","","- C31 H29 Cl N2 O2 S -","- C31 H29 Cl N2 O2 S -","- C124 H116 Cl4 N8 O8 S4 -","4","1","HB5197","Chinnakali, K.; Sudha, D.; Jayagobi, M.; Raghunathan, R.; Fun, Hoong-Kun","3-Benzyl-7-chloro-9-phenyl-2-tosyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-pyrrolo[3,4-<i>b</i>]quinoline","Acta Crystallographica Section E","2009","65","12","o2973","o2974","10.1107/S1600536809045267","","","0.71073","MoKα","","0.0431","0.0368","","","0.0859","0.0895","","","","","","1.016","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224250","11.597","0.003","13.044","0.004","23.907","0.007","90","","90","","90","","3616.4","1.8","98","2","98","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(5-ethenyl-1-azabicyclo[2.2.2]octan- 2-yl)(6-methoxyquinolin-4-yl)methyl]thiourea‒L-proline‒methanol (1/1/1)","","- C35 H41 F6 N5 O4 S -","- C35 H41 F6 N5 O4 S -","- C140 H164 F24 N20 O16 S4 -","4","1","HB5216","Muramulla, Savitha; Arman, Hadi D.; Zhao, Cong-Gui; Tiekink, Edward R. T.","1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)(6-methoxyquinolin-4-yl)methyl]thiourea‒<small>L</small>-proline‒methanol (1/1/1)","Acta Crystallographica Section E","2009","65","12","o3070","","10.1107/S1600536809047072","","","0.71073","MoKα","","0.066","0.06","","","0.144","0.149","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224285","8.1403","0.0004","13.5859","0.0011","24.962","0.002","90","","90","","90","","2760.6","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl- 1<i>H</i>-3,1-benzoxazin-2(4<i>H</i>)-one","","- C14 H9 Cl F3 N O2 -","- C14 H9 Cl F3 N O2 -","- C112 H72 Cl8 F24 N8 O16 -","8","2","HG2596","Cuffini, Silvia; Howie, R. Alan; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.","(<i>S</i>)-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1<i>H</i>-3,1-benzoxazin-2(4<i>H</i>)-one","Acta Crystallographica Section E","2009","65","12","o3170","o3171","10.1107/S1600536809049101","","","0.71073","MoKα","","0.122","0.062","","","0.108","0.127","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224316","10.417","0.005","13.235","0.005","14.302","0.005","90","","90","","90","","1971.8","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chlorido(dimethyl sulfoxide-κO)triphenyltin(IV)","","- C20 H21 Cl O S Sn -","- C20 H21 Cl O S Sn -","- C80 H84 Cl4 O4 S4 Sn4 -","4","1","IS2466","Kumar, Sarvendra; Shadab, Shah Mohammad; Idrees, Mohammad","Chlorido(dimethyl sulfoxide-κ<i>O</i>)triphenyltin(IV)","Acta Crystallographica Section E","2009","65","12","m1602","m1603","10.1107/S1600536809048090","","","0.71069","MoKα","","0.0346","0.031","","","0.0711","0.0852","","","","","","1.151","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224321","9.1996","0.0005","11.0406","0.0005","17.1897","0.0009","90","","90","","90","","1745.94","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Benzyl-<i>N</i>-cyclohexylbenzenesulfonamide","","- C19 H23 N O2 S -","- C19 H23 N O2 S -","- C76 H92 N4 O8 S4 -","4","1","IS2484","Haider, Zeeshan; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Arshad, Muhammad Nadeem","<i>N</i>-Benzyl-<i>N</i>-cyclohexylbenzenesulfonamide","Acta Crystallographica Section E","2009","65","12","o3053","","10.1107/S1600536809046960","","","0.71073","MoKα","","0.0514","0.0372","","","0.0858","0.0943","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224325","9.0702","0.0004","11.1054","0.0005","18.1971","0.0008","90","","90","","90","","1832.96","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-Benzyl-<i>N</i>-cyclohexyl-4-methylbenzenesulfonamide","<i>N</i>-Benzyl-<i>N</i>-cyclohexyl-4-methylbenzenesulfonamide","","- C20 H25 N O2 S -","- C20 H25 N O2 S -","- C80 H100 N4 O8 S4 -","4","1","IS2488","Khan, Islam Ullah; Haider, Zeeshan; Zia-ur-Rehman, Muhammad; Shafiq, Muhammad; Arshad, Muhammad Nadeem","<i>N</i>-Benzyl-<i>N</i>-cyclohexyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2009","65","12","o3109","","10.1107/S1600536809048193","","","0.71073","MoKα","","0.1001","0.0487","","","0.0815","0.0969","","","","","","0.984","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224334","5.329","0.001","13.867","0.001","23.49","0.002","90","","90","","90","","1735.8","0.4","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylate","","- C16 H26 O5 S -","- C16 H26 O5 S -","- C64 H104 O20 S4 -","4","1","JH2112","Dutkiewicz, Grzegorz; Chidan Kumar, C. S.; Yathirajan, H. S.; Mayekar, A. N.; Kubicki, Maciej","2-Isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylate","Acta Crystallographica Section E","2009","65","12","o3169","","10.1107/S1600536809046492","","","0.71073","MoKα","","0.034","0.0276","","","0.0523","0.0533","","","","","","1.032","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224341","7.6524","0.0013","9.2048","0.0015","27.931","0.005","90","","90","","90","","1967.4","0.6","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[phenyl(2-pyridyl)methylene]ethane- 1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dithiocyanato- κ<i>N</i>,κ<i>S</i>-copper(II)","","- C18 H19 Cu N5 S2 -","- C18 H19 Cu N5 S2 -","- C72 H76 Cu4 N20 S8 -","4","1","KJ2135","Zhang, Xiu-Qing; Li, Chun-Ying; Bian, He-Dong; Yu, Qing; Liang, Hong","{<i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[phenyl(2-pyridyl)methylene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dithiocyanato-κ<i>N</i>,κ<i>S</i>-copper(II)","Acta Crystallographica Section E","2009","65","12","m1610","","10.1107/S1600536809048594","","","0.71073","MoKα","","0.0735","0.0496","","","0.1185","0.13","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224370","5.964","0.0012","11.75","0.002","32.758","0.007","90","","90","","90","","2295.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,5<i>R</i>,10<i>S</i>)<i>-N</i>-(4-Bromophenyl)dehydroabietamide","","- C26 H32 Br N O -","- C26 H32 Br N O -","- C104 H128 Br4 N4 O4 -","4","1","NG2678","Gu, Wen; Wang, Shifa","(4<i>R</i>,5<i>R</i>,10<i>S</i>)<i>-N</i>-(4-Bromophenyl)dehydroabietamide","Acta Crystallographica Section E","2009","65","12","o3270","","10.1107/S1600536809049575","","","0.71073","MoKα","","0.1436","0.0648","","","0.1097","0.1334","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224380","8.8","0.0018","12.534","0.002","12.829","0.003","90","","90","","90","","1415","0.5","93","2","93","2","101.325","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Pentanitromonoformylhexaazaisowurtzitane","10-Formyl-2,4,6,8,12-pentanitro-2,4,6,8,10,12- hexaazatetracyclo[5.5.0.0^3,11^.0^5,9^]dodecane","","- C7 H7 N11 O11 -","- C7 H7 N11 O11 -","- C28 H28 N44 O44 -","4","1","NK2008","Jin, Shaohua; Chen, Shusen; Chen, Huaxiong; Li, Lijie; Shi, Yanshan","10-Formyl-2,4,6,8,12-pentanitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0^3,11^.0^5,9^]dodecane","Acta Crystallographica Section E","2009","65","12","o3112","","10.1107/S1600536809047138","","","0.71073","MoKα","","0.0371","0.0342","","","0.0818","0.0837","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224395","11.4748","0.0007","14.3608","0.0008","14.5944","0.0009","90","","90","","90","","2405","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitrophenyl 2-methylbenzoate","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C112 H88 N8 O32 -","8","2","PV2221","Bibi, Uzma; Siddiqi, Humaira M.; Bolte, Michael; Akhter, Zareen","4-Nitrophenyl 2-methylbenzoate","Acta Crystallographica Section E","2009","65","12","o3038","","10.1107/S1600536809046005","","","0.71073","MoKα","","0.0387","0.0322","","","0.0789","0.0811","","","","","","1.001","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224408","4.6415","0.001","14.692","0.003","19.633","0.004","90","","90","","90","","1338.8","0.5","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,9-Dimethyl-2,3-dihydrophenanthro[1,2-<i>b</i>]furan-4,5-dione","","- C18 H14 O3 -","- C18 H14 O3 -","- C72 H56 O12 -","4","1","RK2163","Yao, Jing-Cai; Wang, Zhong-Dong; Guo, Jin-Bo; Zhang, Li","3,9-Dimethyl-2,3-dihydrophenanthro[1,2-<i>b</i>]furan-4,5-dione","Acta Crystallographica Section E","2009","65","12","o3106","","10.1107/S1600536809047667","","","0.71073","MoKα","","0.1529","0.0524","","","0.0588","0.0774","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224413","5.6293","0.0006","7.2853","0.0008","14.1107","0.0016","90","","90","","90","","578.7","0.11","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Diammine(glycolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)platinum(II)","","- C2 H8 N2 O3 Pt -","- C2 H8 N2 O3 Pt -","- C8 H32 N8 O12 Pt4 -","4","1","RN2056","Wang, Qing-Kun; Pu, Shao-Ping; Cong, Yan-Wei; Li, Yong-Nian; Luan, Chun-Fang","<i>cis</i>-Diammine(glycolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)platinum(II)","Acta Crystallographica Section E","2009","65","12","m1687","","10.1107/S1600536809049757","","","0.71073","MoKα","","0.0213","0.0202","","","0.0413","0.0417","","","","","","0.988","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224442","5.1286","0.0016","8.285","0.003","38.43","0.012","90","","90","","90","","1632.9","0.9","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","deacetyl tenuazonic acid <i>p</i>-toluenesulfonylhydrazone","4-methyl-<i>N</i>'-[(3<i>E</i>)-2-(1-methylpropyl)-5-oxopyrrolidin-3- ylidene]benzenesulfonohydrazide","","- C15 H21 N3 O3 S -","- C15 H21 N3 O3 S -","- C60 H84 N12 O12 S4 -","4","1","SJ2674","Siegel, David; Blaske, Franziska; Koch, Matthias; Emmerling, Franziska; Nehls, Irene","Deacetyl tenuazonic acid <i>p</i>-toluenesulfonylhydrazone","Acta Crystallographica Section E","2009","65","12","o3136","","10.1107/S1600536809048958","","","0.71073","MoKα","","0.1158","0.0453","","","0.0828","0.0966","","","","","","0.771","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224453","5.9793","0.0006","11.7371","0.0012","22.565","0.002","90","","90","","90","","1583.6","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-(4-Methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene-2,5-dione","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","SJ2689","Shi, Hao","4-(4-Methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydrochromene-2,5-dione","Acta Crystallographica Section E","2009","65","12","o3216","","10.1107/S160053680904971X","","","0.71073","MoKα","","0.0617","0.0455","","","0.1127","0.1282","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224475","10.377","0.002","12.639","0.003","20.463","0.004","90","","90","","90","","2683.8","1","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-Desoxy-4β-(4-methoxycarbonyl-1,2,3-triazol-1-yl)podophyllotoxin","methyl 1-[12-oxo-10-(3,4,5-trimethoxyphenyl)-4,6,13- trioxatetracyclo[7.7.0.0^3,7^.0^11,15^]hexadeca-1,3(7),8-trien-16-yl]- 1<i>H</i>-1,2,3-triazole-4-carboxylate dichloromethane solvate","","- C27 H27 Cl2 N3 O9 -","- C27 H27 Cl2 N3 O9 -","- C108 H108 Cl8 N12 O36 -","4","1","VM2011","Zuo, Song; Chen, Hong; Lu, Yanling; Cao, Bo; Liu, Dailin","4-Desoxy-4β-(4-methoxycarbonyl-1,2,3-triazol-1-yl)podophyllotoxin dichloromethane solvate","Acta Crystallographica Section E","2009","65","12","o3257","","10.1107/S1600536809050612","","","0.71073","MoKα","","0.0399","0.0355","","","0.076","0.0785","","","","","","1.01","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224477","12.9135","0.0003","21.6013","0.0005","22.2343","0.0005","90","","90","","90","","6202.2","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Pentakis(L-prolinium) dodecatungstoborate trihydrate","","- C25 H56 B N5 O53 W12 -","- C25 H50 B N5 O53 W12 -","- C100 H200 B4 N20 O212 W48 -","4","1","WM2266","Raissi Shabari, Akbar; Pourayoubi, Mehrdad; Ghamari, Dena","Pentakis(<small>L</small>-prolinium) dodecatungstoborate trihydrate","Acta Crystallographica Section E","2009","65","12","m1586","","10.1107/S1600536809047357","","","0.71073","MoKα","","0.037","0.0354","","","0.0873","0.088","","","","","","1.07","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224494","8.298","0.001","9.9817","0.0012","14.7324","0.0018","90","","90","","90","","1220.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-4-hydroxy-9-azatricyclo[7.4.1.0^2,7^]tetradeca-2,4,6-trien-8-one","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","XU2615","Zheng, Wei; Xie, Qiong; Li, Fang; Qiu, Zhui-Bai","1-Ethyl-4-hydroxy-9-azatricyclo[7.4.1.0^2,7^]tetradeca-2,4,6-trien-8-one","Acta Crystallographica Section E","2009","65","12","o3008","","10.1107/S160053680903918X","","","0.71073","MoKα","","0.0409","0.0377","","","0.0896","0.0912","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224509","6.717","0.0001","10.037","0.0002","20.4287","0.0003","90","","90","","90","","1377.27","0.04","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(2-Bromophenyl)-<i>N</i>-phenyloxirane-2-carboxamide","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","1","XU2664","He, Long; Qin, Hong-Mei; Chen, Lian-Mei","3-(2-Bromophenyl)-<i>N</i>-phenyloxirane-2-carboxamide","Acta Crystallographica Section E","2009","65","12","o2999","","10.1107/S1600536809045929","","","1.54184","CuKα","","0.0283","0.0281","","","0.0687","0.0688","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224520","6.6289","0.0001","10.035","0.0001","23.2033","0.0003","90","","90","","90","","1543.51","0.03","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(1-Naphthyl)-<i>N</i>-phenyloxirane-2-carboxamide","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","XU2678","Chen, Lian-Mei; Kang, Tai-Ran","3-(1-Naphthyl)-<i>N</i>-phenyloxirane-2-carboxamide","Acta Crystallographica Section E","2009","65","12","o3137","","10.1107/S1600536809048752","","","1.54184","CuKα","","0.0342","0.032","","","0.0916","0.093","","","","","","1.081","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224571","9.1797","0.0002","10.4238","0.0002","31.4716","0.0007","90","","90","","90","","3011.43","0.11","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(1,5-Dibenzyl-2,4-dioxo-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin- 3-yl)methyl]-1-<i>n</i>-octyl-1<i>H</i>-1,2,3-triazole","","- C34 H39 N5 O2 -","- C34 H39 N5 O2 -","- C136 H156 N20 O8 -","4","1","BT5142","Jabli, Hind; Ouazzani Chahdi, F.; Saffon, Natalie; Essassi, El Mokhtar; Ng, Seik Weng","4-[(1,5-Dibenzyl-2,4-dioxo-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-3-yl)methyl]-1-<i>n</i>-octyl-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2010","66","1","o231","","10.1107/S1600536809054476","","","0.71073","MoKα","","0.0804","0.0568","","","0.1531","0.1741","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224595","9.4628","0.0019","12.298","0.003","18.71","0.004","90","","90","","90","","2177.3","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,3<i>S</i>)-3-Hydroxymethyl-<i>N</i>-isopropyl-2,2- dimethylcyclopropanecarboxamide","","- C10 H19 N O2 -","- C10 H19 N O2 -","- C80 H152 N8 O16 -","8","2","CV2626","Zhong, Jiangchun; Zheng, Bing; Hou, Shicong","(1<i>R</i>,3<i>S</i>)-3-Hydroxymethyl-<i>N</i>-isopropyl-2,2-dimethylcyclopropanecarboxamide","Acta Crystallographica Section E","2010","66","1","o118","","10.1107/S1600536809051538","","","1.54186","CuKα","","0.0461","0.042","","","0.1061","0.1101","","","","","","1.056","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224649","7.862","0.0016","11.369","0.002","16.92","0.003","90","","90","","90","","1512.4","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(propan-2-yl) [(2<i>S</i>,3<i>S</i>)-2-hydroxy-3-nitrobutan-2-yl]phosphonate","","- C10 H22 N O6 P -","- C10 H22 N O6 P -","- C40 H88 N4 O24 P4 -","4","1","HB5269","Mandal, Tanmay; Samanta, Sampak; Broker, Grant A.; Zhao, Cong-Gui; Tiekink, Edward R. T.","Bis(propan-2-yl) [(2<i>S</i>,3<i>S</i>)-2-hydroxy-3-nitrobutan-2-yl]phosphonate","Acta Crystallographica Section E","2010","66","1","o98","","10.1107/S1600536809052428","","","0.71073","MoKα","","0.041","0.04","","","0.105","0.105","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224650","5.8267","0.0012","15.931","0.003","18.273","0.004","90","","90","","90","","1696.2","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(propan-2-yl) [(1<i>S</i>)-1-(4-fluorophenyl)-1-hydroxy-2-nitroethyl]phosphonate","","- C14 H21 F N O6 P -","- C14 H21 F N O6 P -","- C56 H84 F4 N4 O24 P4 -","4","1","HB5270","Mandal, Tanmay; Samanta, Sampak; Broker, Grant A.; Zhao, Cong-Gui; Tiekink, Edward R. T.","Bis(propan-2-yl) [(1<i>S</i>)-1-(4-fluorophenyl)-1-hydroxy-2-nitroethyl]phosphonate","Acta Crystallographica Section E","2010","66","1","o99","","10.1107/S160053680905260X","","","0.71073","MoKα","","0.051","0.049","","","0.115","0.117","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2224659","10.965","0.004","15.814","0.006","4.0232","0.0015","90","","90","","90","","697.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Bromo-2-chloroaniline","","- C6 H5 Br Cl N -","- C6 H5 Br Cl N -","- C24 H20 Br4 Cl4 N4 -","4","1","HB5285","Wei, Zan-Bin; Liu, Zhi-Hong; Ye, Jian-Liang; Zhang, Hong-Kui","4-Bromo-2-chloroaniline","Acta Crystallographica Section E","2010","66","1","o250","","10.1107/S1600536809054944","","","0.71073","MoKα","","0.0482","0.033","","","0.075","0.0806","","","","","","0.988","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224663","9.9355","0.0004","12.3075","0.0005","15.8299","0.0007","90","","90","","90","","1935.7","0.14","173","2","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,6<i>S</i>)-1-Methyl-2,6-<i>trans</i>-distyrylpiperidinium chloride","","- C22 H26 Cl N -","- C22 H26 Cl N -","- C88 H104 Cl4 N4 -","4","1","HG2599","Zheng, Guangrong; Parkin, Sean; Dwoskin, Linda P.; Crooks, Peter A.","(2<i>S</i>,6<i>S</i>)-1-Methyl-2,6-<i>trans</i>-distyrylpiperidinium chloride","Acta Crystallographica Section E","2010","66","1","o78","","10.1107/S1600536809049587","","","0.71073","MoKα","","0.0675","0.0538","","","0.0873","0.0907","","","","","","1.112","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224666","10.573","0.005","10.67","0.007","11.612","0.005","90","","90","","90","","1310","1.2","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>S</i>)-3-Acryloyl-6-oxo-2-phenylperhydropyrimidine-4-carboxylic acid","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","HG2611","Kundu, Sandip K.; Mahindaratne, Mathew P. D.; Quinõnes, Brian; Negrete, George R.; Tiekink, Edward R. T.","(2<i>S</i>,4<i>S</i>)-3-Acryloyl-6-oxo-2-phenylperhydropyrimidine-4-carboxylic acid","Acta Crystallographica Section E","2010","66","1","o3","","10.1107/S1600536809050892","","","0.71069","MoKα","","0.038","0.038","","","0.097","0.097","","","","","","1.11","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224684","4.9872","0.0004","6.2814","0.0005","28.557","0.002","90","","90","","90","","894.59","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Methyl-5-nitrobenzenesulfonamide","","- C7 H8 N2 O4 S -","- C7 H8 N2 O4 S -","- C28 H32 N8 O16 S4 -","4","1","IS2494","Zia-ur-Rehman, Muhammad; Khan, Islam Ullah; Naz, Nargis; Arshad, Muhammad Nadeem","2-Methyl-5-nitrobenzenesulfonamide","Acta Crystallographica Section E","2010","66","1","o136","","10.1107/S1600536809053069","","","0.71073","MoKα","","0.0675","0.0427","","","0.0861","0.0987","","","","","","0.893","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224694","8.487","0.0004","13.7152","0.0007","14.9113","0.0007","90","","90","","90","","1735.69","0.15","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3a<i>S</i>,7a<i>S</i>)-5-[(<i>S</i>)-3,3,3-Trifluoro-2-methoxy-2- phenylpropanoyl]-2,3,4,5,6,7-hexahydro-1<i>H</i>- pyrrolo[3,4-<i>c</i>]pyridin-3(2<i>H</i>)-one monohydrate","","- C17 H21 F3 N2 O4 -","- C17 H21 F3 N2 O4 -","- C68 H84 F12 N8 O16 -","4","1","KP2243","Zhu, Huichun; Plewe, Michael B.; Rheingold, Arnold L.; Moore, Curtis; Yanovsky, Alex","(3a<i>S</i>,7a<i>S</i>)-5-[(<i>S</i>)-3,3,3-Trifluoro-2-methoxy-2-phenylpropanoyl]-2,3,4,5,6,7-hexahydro-1<i>H</i>-pyrrolo[3,4-<i>c</i>]pyridin-3(2<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2010","66","1","o175","o176","10.1107/S1600536809053331","","","0.71073","MoKα","","0.034","0.03","","","0.068","0.07","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224709","5.8178","0.0002","14.3233","0.0005","23.3694","0.0009","90","","90","","90","","1947.37","0.12","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-{4-[4-(4-Fluorophenyl)-1-methyl-2-[(<i>R</i>)-methylsulfinyl]- 1<i>H</i>-imidazol-5-yl]-2-pyridyl}acetamide dihydrate","","- C18 H21 F N4 O4 S -","- C18 H21 F N4 O4 S -","- C72 H84 F4 N16 O16 S4 -","4","1","NC2170","Bühler, Stefanie; Schollmeyer, Dieter; Hauser, Dominik; Albrecht, Wolfgang; Laufer, Stefan","<i>N</i>-{4-[4-(4-Fluorophenyl)-1-methyl-2-[(<i>R</i>)-methylsulfinyl]-1<i>H</i>-imidazol-5-yl]-2-pyridyl}acetamide dihydrate","Acta Crystallographica Section E","2010","66","1","o121","","10.1107/S1600536809051873","","","0.71069","MoKα","","0.0963","0.0459","","","0.0842","0.0994","","","","","","0.838","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224723","7.1013","0.0015","11.184","0.002","12.691","0.003","90","","90","","90","","1007.9","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bromido[(1,2,5,6-η)-cycloocta-1,5-diene]methylplatinum(II)","","- C9 H15 Br Pt -","- C9 H15 Br Pt -","- C36 H60 Br4 Pt4 -","4","1","NK2017","Ha, Kwang","Bromido[(1,2,5,6-η)-cycloocta-1,5-diene]methylplatinum(II)","Acta Crystallographica Section E","2010","66","1","m48","","10.1107/S1600536809052660","","","0.71073","MoKα","","0.0541","0.0315","","","0.0551","0.0666","","","","","","1.037","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224724","7.1163","0.0014","12.482","0.003","19.466","0.004","90","","90","","90","","1729.1","0.6","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,10-Phenanthrolin-1-ium hydrogen (<i>S</i>,<i>S</i>)-tartrate trihydrate","","","- C16 H20 N2 O9 -","- C16 H20 N2 O9 -","- C64 H80 N8 O36 -","4","1","NK2019","Derikvand, Zohreh; Olmstead, Marilyn M.","1,10-Phenanthrolin-1-ium hydrogen (<i>S</i>,<i>S</i>)-tartrate trihydrate and a correction","Acta Crystallographica Section E","2010","66","1","o185","","10.1107/S160053680905332X","","","0.71073","MoKα","","0.0327","0.0318","","","0.0878","0.0891","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224767","4.3414","0.0002","14.7392","0.0006","29.4409","0.0013","90","","90","","90","","1883.89","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","6-(4-Bromophenyl)-2-ethoxy-4-(4-ethoxyphenyl)nicotinonitrile","6-(4-Bromophenyl)-2-ethoxy-4-(4-ethoxyphenyl)nicotinonitrile","","- C22 H19 Br N2 O2 -","- C22 H19 Br N2 O2 -","- C88 H76 Br4 N8 O8 -","4","1","SJ2683","Chantrapromma, Suchada; Fun, Hoong-Kun; Suwunwong, Thitipone; Padaki, Mahesh; Isloor, Arun M.","6-(4-Bromophenyl)-2-ethoxy-4-(4-ethoxyphenyl)nicotinonitrile","Acta Crystallographica Section E","2010","66","1","o79","o80","10.1107/S1600536809051861","","","0.71073","MoKα","","0.069","0.0393","","","0.0738","0.0837","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224768","5.065","0.0001","15.0131","0.0004","24.5813","0.0005","90","","90","","90","","1869.2","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Atalaphylline","1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)acridin-9(10<i>H</i>)-one","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","SJ2692","Chantrapromma, Suchada; Boonnak, Nawong; Razak, Ibrahim Abdul; Fun, Hoong-Kun","Atalaphylline","Acta Crystallographica Section E","2010","66","1","o81","o82","10.1107/S1600536809051885","","","0.71073","MoKα","","0.0672","0.0492","","","0.1091","0.1182","","","","","","1.03","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224779","9.4908","0.0001","13.1684","0.0002","13.8105","0.0002","90","","90","","90","","1726.02","0.04","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-hydroxysalvinolone","5,6,10-trihydroxy-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a-tetrahydrophenanthren- 9(1<i>H</i>)-one","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","SJ2711","Fun, Hoong-Kun; Quah, Ching Kheng; Chantrapromma, Suchada","Redetermination and absolute configuration of 6-hydroxysalvinolone","Acta Crystallographica Section E","2010","66","1","o146","o147","10.1107/S1600536809053197","","","1.54178","CuKα","","0.0331","0.0327","","","0.0889","0.0894","","","","","","1.093","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224795","5.9535","0.0007","15.8248","0.0019","18.411","0.002","90","","90","","90","","1734.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-Benzenesulfonamido-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene- 2-carboxylic acid monohydrate","","- C14 H16 N2 O6 S2 -","- C14 H16 N2 O6 S2 -","- C56 H64 N8 O24 S8 -","4","1","VM2014","Sharif, Shahzad; Akkurt, Mehmet; Khan, Islam Ullah; Salariya, Manan Ayub; Ahmad, Sarfraz","7-Benzenesulfonamido-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octa-2-ene-2-carboxylic acid monohydrate","Acta Crystallographica Section E","2010","66","1","o73","o74","10.1107/S1600536809051769","","","0.71073","MoKα","","0.1321","0.0545","","","0.089","0.1092","","","","","","0.972","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224807","7.5824","0.0008","14.2703","0.0014","19.507","0.002","90","","90","","90","","2110.7","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","{6-[2,5-Bis(chloromethyl)-3,4-dihydroxytetrahydrofuran-2-yloxy]- 3-chloro-4,5-dihydroxy-3,4,5,6-tetrahydro-2<i>H</i>-pyran-2-yl}methyl acetate dihydrate","","- C14 H25 Cl3 O11 -","- C14 H25 Cl3 O11 -","- C56 H100 Cl12 O44 -","4","1","XU2685","Zhang, Jing-Yu; Hou, Xue-Hui; Wu, Xue-Fen","{6-[2,5-Bis(chloromethyl)-3,4-dihydroxytetrahydrofuran-2-yloxy]-3-chloro-4,5-dihydroxy-3,4,5,6-tetrahydro-2<i>H</i>-pyran-2-yl}methyl acetate dihydrate","Acta Crystallographica Section E","2010","66","1","o167","","10.1107/S1600536809053173","","","0.71073","MoKα","","0.0528","0.0359","","","0.0717","0.0805","","","","","","1.028","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224808","7.276","0.002","11.567","0.003","17.642","0.005","90","","90","","90","","1484.8","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-en-1-one","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","XU2690","Wang, Lei; Ma, Li-Ying; Huang, Yu-Ling; Zheng, Bai-Yu","(<i>E</i>)-3-[4-(Dimethylamino)phenyl]-1-(4-methylphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","1","o174","","10.1107/S1600536809052398","","","0.7107","MoKα","","0.067","0.061","","","0.1337","0.1359","","","","","","1.308","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224830","6.0425","0.0014","16.196","0.003","18.861","0.004","90","","90","","90","","1845.8","0.7","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>'-Dineopentylnaphthalene-1,8-diamine","","- C20 H30 N2 -","- C20 H30 N2 -","- C80 H120 N8 -","4","1","ZS2021","Guzei, Ilia A.; Spencer, Lara C.; Hill, Nicholas J.","<i>N</i>,<i>N</i>'-Dineopentylnaphthalene-1,8-diamine","Acta Crystallographica Section E","2010","66","1","o42","o43","10.1107/S1600536809050867","","","0.71073","Mo-Kα","","0.1119","0.0532","","","0.1132","0.1395","","","","","","0.927","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224831","8.0007","0.0003","10.7161","0.0006","20.7759","0.0009","90","","90","","90","","1781.25","0.14","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1α,6β,7β,14β,15β-Pentahydroxy-7α,20-epoxy-<i>ent</i>-kaur-16-ene","","- C20 H30 O6 -","- C20 H30 O6 -","- C80 H120 O24 -","4","1","ZS2022","Feng, Chuang; Yan, Fu-Lin; Di, Xue-Mei; Sun, Peng-Li","1α,6β,7β,14β,15β-Pentahydroxy-7α,20-epoxy-<i>ent</i>-kaur-16-ene","Acta Crystallographica Section E","2010","66","1","o103","","10.1107/S1600536809052490","","","0.71073","MoKα","","0.0334","0.0311","","","0.0696","0.0709","","","","","","1.008","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224872","10.482","0.002","11.272","0.003","12.556","0.003","90","","90","","90","","1483.5","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Methyl-3-(4-vinylbenzyl)imidazolium hexafluorophosphate","","- C13 H15 F6 N2 P -","- C13 H15 F6 N2 P -","- C52 H60 F24 N8 P4 -","4","1","BT5162","Lu, Xiang-Yong; Sun, Jia-Feng; Zhang, Lin; Chen, Xue-Tai","1-Methyl-3-(4-vinylbenzyl)imidazolium hexafluorophosphate","Acta Crystallographica Section E","2010","66","2","o378","","10.1107/S1600536810000437","","","0.71073","MoKα","","0.0487","0.0473","","","0.1255","0.1269","","","","","","1.033","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224879","8.787","0.001","8.884","0.001","32.406","0.003","90","","90","","90","","2529.7","0.5","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(3-Methylphenyl)benzenesulfonamide","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C104 H104 N8 O16 S8 -","8","2","BT5172","Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Fuess, Hartmut","<i>N</i>-(3-Methylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2010","66","2","o434","","10.1107/S1600536810002291","","","1.5418","CuKα","","0.0343","0.033","","","0.0945","0.0957","","","","","","1.012","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224887","8.041","0.008","12.597","0.012","22.91","0.02","90","","90","","90","","2321","4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1-Butylquinine tetrafluoroborate","(2<i>S</i>,4<i>S</i>,8<i>R</i>)-1-butyl-2-[(<i>R</i>)-(hydroxy)(6- methoxyquinolin-4-yl)methyl]-8-vinylquinuclidin-1-ium tetrafluoroborate","","- C24 H33 B F4 N2 O2 -","- C24 H33 B F4 N2 O2 -","- C96 H132 B4 F16 N8 O8 -","4","1","BX2256","Eltaief, Sana; Retailleau, Pascal; Straver, Leo; Ben Hassine, Béchir","1-Butylquinine tetrafluoroborate","Acta Crystallographica Section E","2010","66","2","o281","","10.1107/S1600536809054907","","","0.71073","MoKα","","0.0974","0.0634","","","0.1382","0.1555","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2224892","5.3472","0.0011","12.748","0.003","12.785","0.003","90","","90","","90","","871.5","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Fluoro-4-oxochroman-2-carboxylic acid","","- C10 H7 F O4 -","- C10 H7 F O4 -","- C40 H28 F4 O16 -","4","1","CI2987","Chen, Pei; Qian, Shan; Shi, Zhe-Qin; Wu, Yong","6-Fluoro-4-oxochroman-2-carboxylic acid","Acta Crystallographica Section E","2010","66","2","o274","","10.1107/S1600536809054555","","","0.71073","MoKα","","0.0306","0.0269","","","0.0714","0.0726","","","","","","1.119","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224918","7.7322","0.0001","22.4976","0.0004","31.6043","0.0005","90","","90","","90","","5497.76","0.15","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(20<i>S</i>)-24,25-Dihydroxy-20,24-epoxy-3,4-secodammar-4(28)-en-3-oic acid","","- C30 H50 O5 -","- C30 H50 O5 -","- C240 H400 O40 -","8","2","CI5019","Harneti, Desi; Supratman, Unang; Mukhtar, Mat Ropi; Awang, Khalijah; Ng, Seik Weng","(20<i>S</i>)-24,25-Dihydroxy-20,24-epoxy-3,4-secodammar-4(28)-en-3-oic acid from <i>Aglaia smithii</i>","Acta Crystallographica Section E","2010","66","2","o416","","10.1107/S1600536810002072","","","0.71073","MoKα","","0.084","0.0644","","","0.163","0.1746","","","","","","1.088","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224938","10.563","0.005","10.603","0.005","15.185","0.007","90","","90","","90","","1700.7","1.4","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-[(Cyclopenta-1,3-dien-2-yl)diphenylmethyl]-1-methyl-1<i>H</i>-imidazole","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","DN2523","Sun, Qi; Nie, Wanli; Borzov, Maxim V.","2-[(Cyclopenta-1,3-dien-2-yl)diphenylmethyl]-1-methyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2010","66","2","o285","o286","10.1107/S1600536809055561","","","0.71073","MoKα","","0.0523","0.0398","","","0.1111","0.1195","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224950","11.203","0.003","11.8","0.003","16.988","0.005","90","","90","","90","","2245.7","1.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Isopropyl <i>ent</i>-15α-bromo-16-oxobeyeran-19-oate","","- C23 H35 Br O3 -","- C23 H35 Br O3 -","- C92 H140 Br4 O12 -","4","1","FJ2269","Chen, Junqing","Isopropyl <i>ent</i>-15α-bromo-16-oxobeyeran-19-oate","Acta Crystallographica Section E","2010","66","2","o431","","10.1107/S1600536810002138","","","0.71073","MoKα","","0.1039","0.0466","","","0.0899","0.1084","","","","","","0.955","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224956","8.7794","0.0015","12.715","0.002","12.716","0.002","90","","90","","90","","1419.5","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,10-Diformyl-2,6,8,12-tetranitro-2,4,6,8,10,12- hexaazatetracyclo[5.5.0.0^5,9^.0^3,11^]dodecane","","- C8 H8 N10 O10 -","- C8 H8 N10 O10 -","- C32 H32 N40 O40 -","4","1","FL2282","Chen, Huaxiong; Shi, Rui; Chen, Shusen; Jin, Shaohua; Li, Lijie; Shi, Yanshan","4,10-Diformyl-2,6,8,12-tetranitro-2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0^5,9^.0^3,11^]dodecane","Acta Crystallographica Section E","2010","66","2","o338","","10.1107/S1600536809055676","","","0.71073","MoKα","","0.0436","0.0405","","","0.0918","0.094","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2224962","7.2619","0.0013","10.998","0.002","21.964","0.004","90","","90","","90","","1754.2","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5α-Pregna-1,20-dien-3-one","","- C21 H30 O -","- C21 H30 O -","- C84 H120 O4 -","4","1","GK2251","Chen, Guang-ying; Wei, Mei-Yan; Tan, Ni; Liu, Zhen; Yang, Rui-Yun","5α-Pregna-1,20-dien-3-one","Acta Crystallographica Section E","2010","66","2","o351","","10.1107/S1600536810000863","","","0.71073","MoKα","","0.0679","0.0509","","","0.1073","0.1143","","","","","","1.097","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2224982","6.7948","0.0005","8.8478","0.0008","17.3539","0.0017","90","","90","","90","","1043.3","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-methyl-3,5-dinitrobenzoate","","- C9 H8 N2 O6 -","- C9 H8 N2 O6 -","- C36 H32 N8 O24 -","4","1","HB5296","Raza, Abdul Rauf; Saddiqa, Aisha; Tahir, M. Nawaz; Danish, Muhammad; Iqbal, Mohammad Saeed","Methyl 2-methyl-3,5-dinitrobenzoate","Acta Crystallographica Section E","2010","66","2","o288","","10.1107/S1600536809055494","","","0.71073","MoKα","","0.0765","0.0407","","","0.0861","0.0974","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225003","10.827","0.0001","20.053","0.0002","28.0247","0.0003","90","","90","","90","","6084.55","0.11","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(+)-Hexacyclinol","(1a<i>S</i>,2a<i>S</i>,3<i>S</i>,5a<i>S</i>,6a<i>S</i>,7<i>R</i>,7a<i>S</i>, 7b<i>S</i>,8<i>R</i>,8a<i>S</i>,10<i>R</i>)-7-hydroxy-3-(1-methoxy-1- methylethyl)-10-(2-methyl-1-propenyl)-1a,5a,6a,7,7a,7b,8,8a-octahydro- 2<i>H</i>-8,2a-(epoxymethano)phenanthro[2,3-<i>b</i>:6,7-<i>b'</i>]bisoxirene- 2,5(3<i>H</i>)-dione","","- C23 H28 O7 -","- C23 H28 O7 -","- C276 H336 O84 -","12","3","HG2629","Pinkerton, David M.; Banwell, Martin G.; Willis, Anthony C.","(+)-Hexacyclinol","Acta Crystallographica Section E","2010","66","2","o342","o343","10.1107/S1600536810000620","","","0.71073","MoKα","","0.0499","0.0341","","0.079","0.0757","0.079","","","","","","0.8313","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225056","10.295","0.002","13.696","0.003","15.802","0.003","90","","90","","90","","2228.1","0.8","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6β, 15β-Diacetoxy-1β, 7β, 13α-trihydroxy-7α, 20-epoxy- <i>ent</i>-kaur-16-ene","","- C24 H34 O8 -","- C24 H34 O8 -","- C96 H136 O32 -","4","1","LX2122","Di, Xue-Mei; Yan, Fu-Lin; Feng, Chuang; Cui, Jian-Min","6β,15β-Diacetoxy-1β,7β,13α-trihydroxy-7α,20-epoxy-<i>ent</i>-kaur-16-ene","Acta Crystallographica Section E","2010","66","2","o359","","10.1107/S1600536810001170","","","0.71073","MoKα","","0.0312","0.0298","","","0.0717","0.0726","","","","","","1.074","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225061","8.262","0.002","9.384","0.003","15.919","0.004","90","","90","","90","","1234.2","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2'-(4-Amino-4<i>H</i>-1,2,4-triazole-3,5-diyl)diphenol","","- C14 H12 N4 O2 -","- C14 H12 N4 O2 -","- C56 H48 N16 O8 -","4","1","NC2167","Chen, Sheng-Hui; Zhang, Gao-Yong; Dong, Jin-Feng","2,2'-(4-Amino-4<i>H</i>-1,2,4-triazole-3,5-diyl)diphenol","Acta Crystallographica Section E","2010","66","2","o330","","10.1107/S1600536809055536","","","0.71073","MoKα","","0.0471","0.0411","","","0.1074","0.112","","","","","","1.099","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225078","7.416","0.0015","19.374","0.004","26.767","0.005","90","0.01","90","0.01","90","0.01","3845.8","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mulinic acid","(3<i>S</i>,3a<i>S</i>,10b<i>R</i>)-3-isopropyl-5a,8-dimethyl- 2,3,4,5,5a,6,7,10,10a,10b-decahydro-<i>endo</i>- epidioxycyclohepta[<i>e</i>]indene-3a(1<i>H</i>)-carboxylic acid","","- C20 H30 O4 -","- C20 H30 O4 -","- C160 H240 O32 -","8","2","OM2310","Brito, Iván; Bórquez, Jorge; Loyola, Luis Alberto; López-Rodríguez, Matías; Cárdenas, Alejandro","An orthorhombic polymorph of mulinic acid","Acta Crystallographica Section E","2010","66","2","o331","o332","10.1107/S1600536810000528","","","0.71073","MoKα","","0.1118","0.0914","","","","0.2236","","","","","","1.253","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225079","8.9871","0.0003","11.6926","0.0003","20.0324","0.0005","90","","90","","90","","2105.06","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2'-Benzyloxy-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2-ol","","- C27 H28 O2 -","- C27 H28 O2 -","- C108 H112 O8 -","4","1","OM2312","Abreu, Artur R.; Ramos Silva, Manuela; Pereira, Mariette M.; Bayon, J. Carles; Matos Beja, Ana","(<i>R</i>)-2'-Benzyloxy-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthyl-2-ol","Acta Crystallographica Section E","2010","66","2","o437","","10.1107/S1600536810002308","","","0.71073","MoKα","","0.055","0.0375","","","0.0832","0.0935","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2225082","4.9772","0.0008","14.52","0.002","15.307","0.002","90","","90","","90","","1106.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Methyl-1,2,3,4-tetrahydrocarbolin-2-ium-3-carboxylate","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","PB2017","Lu, Cheng-Tao; Jing, Lin-lin; Wang, Hai-Bo; Tang, Hai-Feng; Sun, Xiao-Li","1-Methyl-1,2,3,4-tetrahydrocarbolin-2-ium-3-carboxylate","Acta Crystallographica Section E","2010","66","2","o446","","10.1107/S1600536810002163","","","0.71073","MoKα","","0.0578","0.0418","","","0.108","0.1173","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225114","9.759","0.002","10.672","0.002","19.049","0.004","90","","90","","90","","1983.9","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2'-(Quinoxaline-2,3-diyl)diphenol dimethylformamide solvate","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","SJ2713","You, Zhong-Lu","2,2'-(Quinoxaline-2,3-diyl)diphenol dimethylformamide solvate","Acta Crystallographica Section E","2010","66","2","o395","","10.1107/S1600536809054385","","","0.71073","MoKα","","0.0579","0.0426","","","0.0925","0.1016","","","","","","1.05","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225115","5.0838","0.0001","15.0262","0.0003","24.6412","0.0004","90","","90","","90","","1882.35","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","atalaphylline","1,3,5-trihydroxy-2,4-bis(3-methylbut-2-enyl)acridin-9(10<i>H</i>)-one","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","SJ2714","Fun, Hoong-Kun; Yeap, Chin Sing; Chantrapromma, Suchada","Redetermination and absolute configuration of atalaphylline","Acta Crystallographica Section E","2010","66","2","o252","o253","10.1107/S160053680905449X","","","1.54178","CuKα","","0.0251","0.0248","","","0.0675","0.0678","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225117","5.5116","0.0001","14.8497","0.0002","18.3625","0.0003","90","","90","","90","","1502.89","0.04","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>Z</i>)-3-(anthracen-9-yl)-1-(2-thienyl)prop-2-en-1-one","(<i>Z</i>)-3-(9-anthryl)-1-(2-thienyl)prop-2-en-1-one","","- C21 H14 O S -","- C21 H14 O S -","- C84 H56 O4 S4 -","4","1","SJ2716","Chantrapromma, Suchada; Suwunwong, Thitipone; Boonnak, Nawong; Fun, Hoong-Kun","A second orthorhombic polymorph of (<i>Z</i>)-3-(9-anthryl)-1-(2-thienyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","2","o312","o313","10.1107/S1600536810000061","","","0.71073","MoKα","","0.0461","0.0418","","","0.104","0.1075","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225128","5.2263","0.0001","13.5997","0.0003","14.9019","0.0003","90","","90","","90","","1059.17","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Amino-5-chloropyridinium hydrogen succinate","","- C9 H11 Cl N2 O4 -","- C9 H11 Cl N2 O4 -","- C36 H44 Cl4 N8 O16 -","4","1","TK2616","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-5-chloropyridinium hydrogen succinate","Acta Crystallographica Section E","2010","66","2","o464","o465","10.1107/S1600536810002990","","","0.71073","MoKα","","0.0432","0.0378","","","0.0795","0.0821","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225159","7.4335","0.001","9.7732","0.0014","30.92","0.004","90","","90","","90","","2246.3","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4'-Bromobutyl <i>ent</i>-16-oxobeyeran-19-oate","","- C24 H37 Br O3 -","- C24 H37 Br O3 -","- C96 H148 Br4 O12 -","4","1","BG2330","Chen, Junqing; Zha, Xiaoming","4'-Bromobutyl <i>ent</i>-16-oxobeyeran-19-oate","Acta Crystallographica Section E","2010","66","3","o607","","10.1107/S1600536810005167","","","0.71073","MoKα","","0.0666","0.0424","","","0.0969","0.1084","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225166","6.566","0.0003","13.376","0.0002","19.5846","0.0003","90","","90","","90","","1720.05","0.09","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-Dichlorido(1,4,8,11-tetraazacyclotetradecane)manganese(III) tetrafluoridoborate","","- C10 H24 B Cl2 F4 Mn N4 -","- C10 H24 B Cl2 F4 Mn N4 -","- C40 H96 B4 Cl8 F16 Mn4 N16 -","4","1","BR2133","Zaouali Zgolli, Donia; Boughzala, Habib; Driss, Ahmed","<i>trans</i>-Dichlorido(1,4,8,11-tetraazacyclotetradecane)manganese(III) tetrafluoridoborate","Acta Crystallographica Section E","2010","66","3","m265","m266","10.1107/S1600536810004058","","","0.71073","MoKα","","0.0412","0.0343","","","0.0928","0.0972","","","","","","1.045","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2225194","10.1558","0.001","15.4883","0.0015","15.7498","0.0015","90","","90","","90","","2477.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","THP-12-ane-N3 zinc nitrate monohydrate","{1,5,9-Tris[(2<i>S</i>)-2-hydroxypropyl]-1,5,9-triazacyclododecane}zinc(II) dinitrate monohydrate","","- C18 H41 N5 O10 Zn -","- C18 H41 N5 O10 Zn -","- C72 H164 N20 O40 Zn4 -","4","1","CI5025","Strasser, Christoph E.; Sumani, Jimmy E. Y.; Raubenheimer, Helgard G.; Luckay, Robert C.","{1,5,9-Tris[(2<i>S</i>)-2-hydroxypropyl]-1,5,9-triazacyclododecane}zinc(II) dinitrate monohydrate","Acta Crystallographica Section E","2010","66","3","m327","","10.1107/S1600536810006410","","","0.71073","MoKα","","0.0577","0.0477","","","0.1078","0.1128","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225271","8.178","0.0001","14.9165","0.0003","19.3555","0.0004","90","","90","","90","","2361.12","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-{[(Benzyloxy)carbonyl]oxy}-2-methylhexahydropyrano[3,2-<i>d</i>][1,3]dioxin-7,8-diyl bis(chloroacetate)","","- C20 H22 Cl2 O10 -","- C20 H22 Cl2 O10 -","- C80 H88 Cl8 O40 -","4","1","HG2627","Jasinski, Jerry P.; Butcher, Ray J.; Swamy, M. T.; Yathirajan, H. S.; Narayana, B.","6-{[(Benzyloxy)carbonyl]oxy}-2-methylhexahydropyrano[3,2-<i>d</i>][1,3]dioxin-7,8-diyl bis(chloroacetate)","Acta Crystallographica Section E","2010","66","3","o572","o573","10.1107/S1600536810004356","","","0.71073","MoKα","","0.0771","0.0397","","","0.0752","0.0835","","","","","","0.917","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225300","5.3275","0.0002","13.6226","0.0005","15.1687","0.0005","90","","90","","90","","1100.86","0.07","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Amino-5-bromopyridinium hydrogen succinate","","- C9 H11 Br N2 O4 -","- C9 H11 Br N2 O4 -","- C36 H44 Br4 N8 O16 -","4","1","IS2526","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-5-bromopyridinium hydrogen succinate","Acta Crystallographica Section E","2010","66","3","o689","o690","10.1107/S1600536810006495","","","0.71073","MoKα","","0.0333","0.025","","","0.0544","0.057","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225311","6.7207","0.0001","19.4804","0.0005","20.5035","0.0005","90","","90","","90","","2684.36","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","24-Methyllanosta-7,25-dien-3-one","17-(5,6-Dimethylhept-6-en-2-yl)-4,4,10,13,14-pentamethyl- 1,5,6,10,11,12,13,15,16,17-decahydro-2<i>H</i>-cyclopenta[α]phenanthren- 3(4<i>H</i>,9<i>H</i>,14<i>H</i>)-one","","- C31 H50 O -","- C31 H50 O -","- C124 H200 O4 -","4","1","LH2983","Hussain, Nisar; Habib-ur-Rehman; Parvez, Masood","24-Methyllanosta-7,25-dien-3-one","Acta Crystallographica Section E","2010","66","3","o626","","10.1107/S1600536810005118","","","0.71073","MoKα","","0.073","0.055","","","0.11","0.122","","","","","","1.15","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225314","6.4256","0.0003","9.6527","0.0006","34.953","0.002","90","","90","","90","","2167.9","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5α-Dihydrovespertilin acetate","(20<i>S</i>)-3β-acetoxy-16α-hydroxy-22,23-bisnor-5α,17β-cholano(22-16)lactone","","- C24 H36 O4 -","- C24 H36 O4 -","- C96 H144 O16 -","4","1","LH2988","Benn, Michael; Vohra, Kanwal Nain; Parvez, Masood","5α-Dihydrovespertilin acetate","Acta Crystallographica Section E","2010","66","3","o598","","10.1107/S160053681000512X","","","0.71073","MoKα","","0.057","0.051","","","0.113","0.119","","","","","","1.11","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225397","10.6142","0.0002","11.0984","0.0002","22.9714","0.0003","90","","90","","90","","2706.05","0.08","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>S</i>)-2-Benzyl-3-(2,3,4,6-tetra-<i>O</i>-acetyl-β-D- glucopyranosyloxy)butanolide","","- C25 H30 O12 -","- C25 H30 O12 -","- C100 H120 O48 -","4","1","VM2019","Zhang, Feng; Zhong, Jialiang; Han, Bei; Yin, Dali; Huang, Haihong","(2<i>R</i>,3<i>S</i>)-2-Benzyl-3-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyloxy)butanolide","Acta Crystallographica Section E","2010","66","3","o704","","10.1107/S1600536810006628","","","1.54178","CuKα","","0.0367","0.0361","","","0.1016","0.1023","","","","","","1.066","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225449","5.979","0.0003","9.3665","0.0004","11.3809","0.0005","90","","90","","90","","637.36","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>R</i>)-4-Ammmonio-5-oxopyrrolidine-2-carboxylate","","- C5 H8 N2 O3 -","- C5 H8 N2 O3 -","- C20 H32 N8 O12 -","4","1","BT5187","Kaczmarek, Krzysztof; Wojciechowski, Jakub; Wolf, Wojciech M.","(2<i>S</i>,4<i>R</i>)-4-Ammonio-5-oxopyrrolidine-2-carboxylate","Acta Crystallographica Section E","2010","66","4","o831","o832","10.1107/S1600536810004277","","","1.54178","CuKα","","0.027","0.027","","","0.0689","0.0691","","","","","","1.08","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225453","8.8337","0.0002","9.9476","0.0002","18.9295","0.0004","90","","90","","90","","1663.41","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Hydroxy-10-phenacylpyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,11-dione","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","BT5200","Ourahou, S.; Chammache, M.; Zouihri, H.; Essassi, El Mokhtar; Ng, Seik Weng","2-Hydroxy-10-phenacylpyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-5,11-dione","Acta Crystallographica Section E","2010","66","4","o732","","10.1107/S1600536810006902","","","0.71073","MoKα","","0.0415","0.0329","","","0.0965","0.1177","","","","","","1.148","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225455","8.5503","0.0002","9.658","0.0002","18.2734","0.0004","90","","90","","90","","1509","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-hydroxy-5,11-dioxopyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-10-acetate","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C64 H72 N8 O20 -","4","1","BT5201","Ourahou, S.; Chammache, M.; Zouihri, H.; Essassi, El Mokhtar; Ng, Seik Weng","Ethyl 2-hydroxy-5,11-dioxopyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-10-acetate","Acta Crystallographica Section E","2010","66","4","o733","","10.1107/S1600536810006914","","","0.71073","MoKα","","0.0355","0.0324","","","0.0935","0.0982","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225464","9.0498","0.001","9.756","0.0011","26.57","0.003","90","","90","","90","","2345.9","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 2,3-di-<i>O</i>-acetyl-4-<i>O</i>-levulinoyl-1-<i>O</i>-(2,2,2-trichloro- 2-iminoethyl)-L-idopyranosiduronate","","- C18 H22 Cl3 N O11 -","- C18 H22 Cl3 N O11 -","- C72 H88 Cl12 N4 O44 -","4","1","BT5207","Cai, Chao; Wei, Guohua; Du, Yuguo","Methyl 2,3-di-<i>O</i>-acetyl-4-<i>O</i>-levulinoyl-1-<i>O</i>-(2,2,2-trichloro-2-iminoethyl)-<small>L</small>-idopyranosiduronate","Acta Crystallographica Section E","2010","66","4","o949","","10.1107/S1600536810010895","","","1.54186","CuKα","","0.0508","0.0456","","","0.0961","0.0996","","","","","","1.085","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225468","8.4785","0.0008","9.6576","0.001","15.856","0.0016","90","","90","","90","","1298.3","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Chloro-7-methoxymethyl-2-phenyl-7<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","BT5211","Selig, Roland; Schollmeyer, Dieter; Albrecht, Wolfgang; Laufer, Stefan","4-Chloro-7-methoxymethyl-2-phenyl-7<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","Acta Crystallographica Section E","2010","66","4","o822","","10.1107/S1600536810008822","","","0.71073","MoKα","","0.0468","0.0366","","","0.0744","0.0789","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225480","8.2498","0.0005","13.5167","0.0007","14.2522","0.0007","90","","90","","90","","1589.26","0.15","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-{3-[Hydroxy(phenyl)methyl]-5-thioxo-4,5-dihydro-1<i>H</i>-1,2,4- triazol-4-yl}benzenesulfonamide","","- C15 H14 N4 O3 S2 -","- C15 H14 N4 O3 S2 -","- C60 H56 N16 O12 S8 -","4","1","BT5224","Akkurt, Mehmet; Çelik, Ísmail; Cihan, Gökçe; Çapan, Gültaze; Büyükgüngör, Orhan","4-{3-[Hydroxy(phenyl)methyl]-5-thioxo-4,5-dihydro-1<i>H</i>-1,2,4-triazol-4-yl}benzenesulfonamide","Acta Crystallographica Section E","2010","66","4","o974","o975","10.1107/S1600536810011402","","","0.71073","MoKα","","0.0318","0.0276","","","0.0645","0.0655","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225497","7.9192","0.0009","11.4344","0.0013","19.168","0.002","90","","90","","90","","1735.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-[1-(4-Methylphenylsulfonyl)-1,4-dihydropyridin-4-yl]-1<i>H</i>-indole","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C80 H72 N8 O8 S4 -","4","1","CV2703","Oliveira-Campos, Ana M. F.; Ribeiro, Joana M. O.; Rodrigues, Lígia M.; Parpot, Pier; Lopes, Paulo E.","3-[1-(4-Methylphenylsulfonyl)-1,4-dihydropyridin-4-yl]-1<i>H</i>-indole","Acta Crystallographica Section E","2010","66","4","o915","","10.1107/S1600536810010214","","","0.71073","MoKα","","0.0776","0.0408","","","0.0864","0.1021","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225510","4.90104","0.0001","5.85657","0.00016","45.8291","0.0012","90","","90","","90","","1315.45","0.06","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2,5-Dimethylphenyl)-2-methylbenzamide","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","DN2545","Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Rodrigues, Vinola Zeena; Fuess, Hartmut","<i>N</i>-(2,5-Dimethylphenyl)-2-methylbenzamide","Acta Crystallographica Section E","2010","66","4","o815","","10.1107/S160053681000886X","","","0.71073","MoKα","","0.0471","0.0435","","","0.0954","0.0968","","","","","","1.199","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225523","6.002","0.006","14.053","0.014","21.09","0.02","90","","90","","90","","1779","3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzyl <i>N</i>-((<i>S</i>)-2-hydroxy-1-{<i>N</i>'-[(<i>E</i>)- 2-methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate","","- C19 H21 N3 O5 -","- C19 H21 N3 O5 -","- C76 H84 N12 O20 -","4","1","HB5379","Pinheiro, Alessandra C.; de Souza, Marcus V. N.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.","Benzyl <i>N</i>-((<i>S</i>)-2-hydroxy-1-{<i>N</i>'-[(<i>E</i>)-2-methoxybenzylidene]hydrazinecarbonyl}ethyl)carbamate from synchrotron data","Acta Crystallographica Section E","2010","66","4","o1004","o1005","10.1107/S1600536810011463","","","0.6889","Synchrotron","","0.042","0.03","","","0.09","0.124","","","","","","1.29","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225548","5.3103","0.0011","10.996","0.002","28.559","0.006","90","","90","","90","","1667.6","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 5-<i>O</i>-(4-chlorobenzoyl)-2-deoxy-3-<i>O</i>-methylsulfonyl- <i>threo</i>-pentofuranoside","","- C14 H17 Cl O7 S -","- C14 H17 Cl O7 S -","- C56 H68 Cl4 O28 S4 -","4","1","HB5317","Jiang, Hongshi; Li, Hui; Sun, Hong","Methyl 5-<i>O</i>-(4-chlorobenzoyl)-2-deoxy-3-<i>O</i>-methylsulfonyl-<i>threo</i>-pentofuranoside","Acta Crystallographica Section E","2010","66","4","o820","","10.1107/S1600536810007087","","","0.71073","MoKα","","0.0913","0.0612","","","0.1393","0.1602","","","","","","0.955","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225551","9.0337","0.0012","10.167","0.003","26.9122","0.0011","90","","90","","90","","2471.8","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Bruceine A","","","- C26 H34 O11 -","- C26 H34 O11 -","- C104 H136 O44 -","4","1","HB5331","Feng, Xue-Huan; Zhang, Yan-Ning; He, Wei-Zhi; Zhang, Lan; Jiang, Hong-Yun","Bruceine A","Acta Crystallographica Section E","2010","66","4","o854","o855","10.1107/S1600536810007646","","","1.54186","CuKα","","0.0504","0.0435","","","0.0853","0.0978","","","","","","1.133","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225617","3.938","0.002","8.808","0.004","27.94","0.04","90","","90","","90","","969.1","1.5","299","","299","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(2-hydroxyacetamido)benzoate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","OM2318","Alam, Samina; Saeed, Sadaf; Fischer, Andreas; Khan, Naeema","Methyl 2-(2-hydroxyacetamido)benzoate","Acta Crystallographica Section E","2010","66","4","o913","","10.1107/S1600536810009451","","","0.71073","MoKα","","0.08","0.051","","","0.109","0.127","","","","","","1.12","","","","has coordinates","201978","2020-10-21","18:00:00",""
"2225622","3.9716","0.0002","14.2359","0.0007","17.2893","0.0008","90","","90","","90","","977.52","0.08","89","2","89","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 3,5-dibromo-4-methylbenzoate","","- C9 H8 Br2 O2 -","- C9 H8 Br2 O2 -","- C36 H32 Br8 O8 -","4","1","JJ2027","Saeed, Aamer; Rafique, Hummera; Simpson, Jim; Ashraf, Zaman","Methyl 3,5-dibromo-4-methylbenzoate","Acta Crystallographica Section E","2010","66","4","o982","o983","10.1107/S1600536810011062","","","0.71073","MoKα","","0.0492","0.0328","","","0.0606","0.0648","","","","","","1.086","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225630","21.14118","0.00007","7.22207","0.00002","6.1461","0.00003","90","","90","","90","","938.405","0.006","293","","293","","101","","","","","","","4","P 21 21 21","P 2ac 2ab","19","alaptide","(8<i>S</i>)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione","","- C9 H14 N2 O2 -","- C9 H14 N2 O2 -","- C36 H56 N8 O8 -","4","1","LH2977","Rohlíček, Jan; Maixner, Jaroslav; Pažout, Richard; Hušák, Michal; Cibulková, Jana; Kratochvíl, Bohumil","Alaptide from synchrotron powder diffraction data","Acta Crystallographica Section E","2010","66","4","o821","","10.1107/S1600536810007750","powder diffraction","","0.79984","synchrotron","","","","","","","","","","3.9","","","","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225639","7.8711","0.0002","8.1526","0.0002","19.5783","0.0005","90","","90","","90","","1256.34","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>R</i>,3<i>S</i>,6a<i>S</i>,7<i>R</i>,8<i>R</i>, 9<i>S</i>,12a<i>S</i>)-1,2,3,7,8,9-Hexahydroxyperhydrodipyrido[1,2- <i>a</i>:1',2'-<i>d</i>]pyrazine-6,12-dione","","- C12 H18 N2 O8 -","- C12 H18 N2 O8 -","- C48 H72 N8 O32 -","4","1","LH5005","Jenkinson, S. F.; Best, D.; Wilson, F. X.; Fleet, G. W. J.; Watkin, D. J.","(1<i>R</i>,2<i>R</i>,3<i>S</i>,6a<i>S</i>,7<i>R</i>,8<i>R</i>,9<i>S</i>,12a<i>S</i>)-1,2,3,7,8,9-Hexahydroxyperhydrodipyrido[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazine-6,12-dione","Acta Crystallographica Section E","2010","66","4","o853","","10.1107/S1600536810009165","","","0.71073","MoKα","","0.0566","0.0418","","0.1012","0.0947","0.1012","","","","","","0.9255","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225671","7.1461","0.0007","11.182","0.002","13.676","0.002","90","","90","","90","","1092.8","0.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2,4-Dimethylphenyl)succinimide","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","VM2021","Saraswathi, B. S.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","<i>N</i>-(2,4-Dimethylphenyl)succinimide","Acta Crystallographica Section E","2010","66","4","o881","","10.1107/S1600536810009694","","","1.5418","CuKα","","0.0515","0.0407","","","0.1052","0.1127","","","","","","1.059","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225672","8.675","0.0011","12.0279","0.0014","19.221","0.002","90","","90","","90","","2005.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[4-Acetyl-5-(biphenyl-4-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate","","- C24 H20 N2 O4 -","- C24 H20 N2 O4 -","- C96 H80 N8 O16 -","4","1","PV2264","Yehye, Wagee A.; Ariffin, Azhar; Rahman, Noorsaadah Abdul; Ng, Seik Weng","2-[4-Acetyl-5-(biphenyl-4-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate","Acta Crystallographica Section E","2010","66","4","o878","","10.1107/S1600536810009621","","","0.71073","MoKα","","0.0572","0.0353","","","0.0864","0.1003","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225681","6.0169","0.0012","12.985","0.003","14.644","0.003","90","","90","","90","","1144.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>)-2-Methylpiperazinediium tetrachloridocuprate(II)","","- C5 H14 Cl4 Cu N2 -","- C5 H14 Cl4 Cu N2 -","- C20 H56 Cl16 Cu4 N8 -","4","1","RZ2412","Chen, Li Zhaung; Wan, Sheng","(2<i>R</i>)-2-Methylpiperazinediium tetrachloridocuprate(II)","Acta Crystallographica Section E","2010","66","4","m376","","10.1107/S1600536810007877","","","0.71073","MoKα","","0.0272","0.0251","","","0.0591","0.0601","","","","","","1.095","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225699","10.806","0.003","11.151","0.003","20.243","0.005","90","","90","","90","","2439.2","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Acetoxymethyl-3-[(2-hydroxy-3-methoxybenzylidene)amino]-3,4,5,6-tetrahydro- 2<i>H</i>-pyran-2,4,5-triyl triacetate","","- C22 H27 N O11 -","- C22 H27 N O11 -","- C88 H108 N4 O44 -","4","1","SI2250","Wang, Yan Fei; Zhang, Shu-Hua; Chen, Zhen Feng; Liang, Hong","6-Acetoxymethyl-3-[(2-hydroxy-3-methoxybenzylidene)amino]-3,4,5,6-tetrahydro-2<i>H</i>-pyran-2,4,5-triyl triacetate","Acta Crystallographica Section E","2010","66","4","o990","","10.1107/S1600536810011475","","","0.71073","MoKα","","0.0823","0.0456","","","0.1051","0.1256","","","","","","1.032","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225762","8.3789","0.0003","11.1397","0.0004","14.8365","0.0005","90","","90","","90","","1384.82","0.08","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1,2-Diphenylethenyl methanesulfonate","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","BQ2190","Feng, Yonghua; Ying, Liu; Zhang, Chen","(<i>E</i>)-1,2-Diphenylethenyl methanesulfonate","Acta Crystallographica Section E","2010","66","5","o1143","","10.1107/S160053681001281X","","","0.71075","MoKα","","","0.0323","","","","0.0918","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225775","5.1723","0.0005","14.785","0.001","17.431","0.001","90","","90","","90","","1332.99","0.17","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Benzoyl-4-methylbenzenesulfonamide","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","BT5236","Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut","<i>N</i>-Benzoyl-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2010","66","5","o1039","","10.1107/S1600536810011967","","","0.71073","MoKα","","0.0397","0.0328","","","0.0787","0.084","","","","","","1.122","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225776","6.474","0.0007","14.1928","0.0013","16.7914","0.0016","90","","90","","90","","1542.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-<i>tert</i>-Butyl-4-methyl-6-(1,3-oxazinan-1-ylmethyl)phenol","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","BT5237","Lei, Wen-Jun; Zhan, Shu-Zhong; Ng, Seik Weng","2-<i>tert</i>-Butyl-4-methyl-6-(1,3-oxazinan-1-ylmethyl)phenol","Acta Crystallographica Section E","2010","66","5","o1030","","10.1107/S1600536810012109","","","0.71073","MoKα","","0.0454","0.0354","","","0.1069","0.117","","","","","","1.105","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225778","5.1072","0.0002","9.3948","0.0004","24.0903","0.001","90","","90","","90","","1155.88","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(4-Hydroxyphenyl)benzenesulfonamide","","- C12 H11 N O3 S -","- C12 H11 N O3 S -","- C48 H44 N4 O12 S4 -","4","1","BT5239","Khan, Islam Ullah; Mariam, Irfana; Zia-ur-Rehman, Muhammad; Arif Sajjad, Muhammad; Sharif, Shahzad","<i>N</i>-(4-Hydroxyphenyl)benzenesulfonamide","Acta Crystallographica Section E","2010","66","5","o1088","","10.1107/S160053681001322X","","","0.71073","MoKα","","0.0748","0.0482","","","0.1127","0.1462","","","","","","1.019","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225787","9.2016","0.0005","12.2434","0.0007","17.4544","0.001","90","","90","","90","","1966.39","0.19","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dichlorido{4-cyclohexyl-1-[1-(2-pyridyl- κ<i>N</i>)ethylidene]thiosemicarbazidato- κ^2^<i>N</i>^1^,<i>S</i>}methyltin(IV)","","- C15 H22 Cl2 N4 S Sn -","- C15 H22 Cl2 N4 S Sn -","- C60 H88 Cl8 N16 S4 Sn4 -","4","1","BT5250","Salam, Md. Abdus; Affan, Md. Abu; Shamsuddin, Mustaffa; Ng, Seik Weng","Dichlorido{4-cyclohexyl-1-[1-(2-pyridyl-κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>}methyltin(IV)","Acta Crystallographica Section E","2010","66","5","m570","","10.1107/S1600536810014443","","","0.71073","MoKα","","0.0246","0.0213","","","0.0511","0.0535","","","","","","1.02","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225812","7.2841","0.0003","12.2158","0.0006","14.5731","0.0007","90","","90","","90","","1296.73","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-[(2-Fluorophenyl)iminomethyl]-2-naphthol‒(<i>Z</i>)-1- [(2-fluorophenyl)aminomethylidene]naphthalen-2(1<i>H</i>)-one (0.57/0.43)","","- C17 H12 F N O -","- C17 H12 F N O -","- C68 H48 F4 N4 O4 -","4","1","CI5080","Alpaslan, Gökhan; Macit, Mustafa; Büyükgüngör, Orhan; Erdönmez, Ahmet","(<i>E</i>)-1-[(2-Fluorophenyl)iminomethyl]-2-naphthol‒(<i>Z</i>)-1-[(2-fluorophenyl)aminomethylidene]naphthalen-2(1<i>H</i>)-one (0.57/0.43)","Acta Crystallographica Section E","2010","66","5","o1178","","10.1107/S1600536810014777","","","0.71073","MoKα","","0.0834","0.0472","","","0.0999","0.1132","","","","","","0.97","","","","has coordinates,has disorder,has Fobs","211196","2020-10-21","18:00:00",""
"2225878","6.124","0.003","7.443","0.004","23.86","0.008","90","","90","","90","","1087.6","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-benzyl-1<i>H</i>-benzimidazole","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","HB5418","Zhang, Ying-jun; Zhu, Xue-wen; Qian, Heng-yu; Yin, Zhi-gang; Zhang, Chun-xia","An orthorhombic polymorph of 1-benzyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2010","66","5","o1208","","10.1107/S1600536810015114","","","0.71073","MoKα","","0.1618","0.0675","","","0.1312","0.1483","","","","","","0.977","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225881","9.1301","0.0002","10.2026","0.0002","24.8379","0.0006","90","","90","","90","","2313.67","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(1-Hydroxy-2-phenylprop-2-en-1-yl)phenol","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","2","HG2665","Caracelli, Ignez; Zukerman-Schpector, Julio; Singh, Fateh V.; Stefani, Hélio A.; Tiekink, Edward R. T.","3-(1-Hydroxy-2-phenylprop-2-en-1-yl)phenol","Acta Crystallographica Section E","2010","66","5","o1033","","10.1107/S1600536810012018","","","0.71073","MoKα","","0.042","0.035","","","0.081","0.084","","","","","","1.15","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2225882","6.793","0.002","7.467","0.002","14.17","0.004","90","","90","","90","","718.7","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(-)-(1<i>S</i>,5<i>R</i>)-2-Oxabicyclo[3.3.1]nonan-3-one","","- C8 H12 O2 -","- C8 H12 O2 -","- C32 H48 O8 -","4","1","HG2667","Olejniczak, Teresa; Białońska, Agata","({-})-(1<i>S</i>,5<i>R</i>)-2-Oxabicyclo[3.3.1]nonan-3-one","Acta Crystallographica Section E","2010","66","5","o1163","","10.1107/S1600536810014339","","","0.71073","MoKα","","0.0655","0.043","","","0.0899","0.0957","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225925","4.9731","0.0001","10.0145","0.0003","26.9297","0.0007","90","","90","","90","","1341.18","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Acetamido-<i>N</i>-benzyl-1,4-imino-1,2,4-trideoxy-L-xylitol","","- C14 H20 N2 O3 -","- C14 H20 N2 O3 -","- C56 H80 N8 O12 -","4","1","LH5029","Jenkinson, Sarah F.; Crabtree, Elizabeth V.; Glawar, Andreas F. G.; Butters, Terry D.; Fleet, George W. J.; Watkin, David J.","2-Acetamido-<i>N</i>-benzyl-1,4-imino-1,2,4-trideoxy-<small>L</small>-xylitol (<i>N</i>-benzyl-<small>L</small>-XYLNAc)","Acta Crystallographica Section E","2010","66","5","o1147","o1148","10.1107/S1600536810014145","","","0.71073","MoKα","","0.0647","0.0508","","0.1302","0.1208","0.1302","","","","","","0.9492","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225926","5.9481","0.0003","13.3427","0.0007","15.6351","0.0009","90","","90","","90","","1240.86","0.12","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Azido-2-deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-D-talono-1,5-\ lactone","","- C10 H15 N3 O5 -","- C10 H15 N3 O5 -","- C40 H60 N12 O20 -","4","1","LH5031","Jenkinson, Sarah F.; Dai, Ni; Fleet, George W. J.; Watkin, David J.","2-Azido-2-deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-<small>D</small>-talono-1,5-lactone","Acta Crystallographica Section E","2010","66","5","o1221","o1222","10.1107/S160053681001500X","","","0.71073","MoKα","","0.069","0.0383","","0.0871","0.0769","0.0871","","","","","","0.8754","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225948","6.7821","0.0005","6.9887","0.0008","24.378","0.002","90","","90","","90","","1155.47","0.18","298","1","298","1","101","2","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-1-Phenylethylammonium trifluoroacetate","","- C10 H12 F3 N O2 -","- C10 H12 F3 N O2 -","- C40 H48 F12 N4 O8 -","4","1","PB2025","Hernández Linares, María-Guadalupe; Guerrero Luna, Gabriel; Bernès, Sylvain","(<i>R</i>)-1-Phenylethylammonium trifluoroacetate","Acta Crystallographica Section E","2010","66","5","o1118","","10.1107/S1600536810013565","","","0.71073","MoKα","","0.0617","0.0414","","","0.1013","0.1124","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225953","9.81448","0.00012","9.90297","0.00013","14.21414","0.00018","90","","90","","90","","1381.51","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichlorido{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(2- pyridyl)ethylidene]ethane-1,2-diamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II)","","- C11 H17 Cl2 Cu N3 -","- C11 H17 Cl2 Cu N3 -","- C44 H68 Cl8 Cu4 N12 -","4","1","PV2266","Saleh Salga, Muhammad; Khaledi, Hamid; Mohd Ali, Hapipah; Puteh, Rustam","Dichlorido{<i>N</i>,<i>N</i>-dimethyl-<i>N</i>'-[1-(2-pyridyl)ethylidene]ethane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}copper(II)","Acta Crystallographica Section E","2010","66","5","m508","","10.1107/S1600536810011712","","","0.71073","MoKα","","0.0172","0.0165","","","0.0424","0.0427","","","","","","1.032","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225956","9.0281","0.0009","12.6034","0.0011","14.6444","0.0015","90","","90","","90","","1666.3","0.3","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-(4-Chlorophenyl)-3-(2-furyl)-1,2,4-triazolo[3,4-<i>a</i>]isoquinoline","","- C20 H12 Cl N3 O -","- C20 H12 Cl N3 O -","- C80 H48 Cl4 N12 O4 -","4","1","PV2272","Khan, F. Nawaz; Manivel, P.; Prabakarana, K.; Hathwar, Venkatesha R.; Akkurt, Mehmet","5-(4-Chlorophenyl)-3-(2-furyl)-1,2,4-triazolo[3,4-<i>a</i>]isoquinoline","Acta Crystallographica Section E","2010","66","5","o1061","","10.1107/S1600536810012924","","","0.71073","MoKα","","0.0815","0.041","","","0.075","0.0823","","","","","","0.851","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2225961","10.5806","0.0007","15.4409","0.0008","16.2579","0.0012","90","","90","","90","","2656.1","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichlorido[(<i>R</i>,<i>R</i>)-<i>N</i>^1^,<i>N</i>^1^,<i>N</i>^2^- tribenzylcyclohexane-1,2-diamine-κ^2^<i>N</i>^1^,<i>N</i>^2^]copper(II)","","- C27 H32 Cl2 Cu N2 -","- C27 H32 Cl2 Cu N2 -","- C108 H128 Cl8 Cu4 N8 -","4","1","RK2198","Nguyen, Quang Trung; Jeong, Jong Hwa","Dichlorido[(<i>R</i>,<i>R</i>)-<i>N</i>^1^,<i>N</i>^1^,<i>N</i>^2^-tribenzylcyclohexane-1,2-diamine-κ^2^<i>N</i>^1^,<i>N</i>^2^]copper(II)","Acta Crystallographica Section E","2010","66","5","m565","","10.1107/S1600536810014054","","","0.71073","MoKα","","0.0528","0.0309","","","0.0789","0.0834","","","","","","1.057","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2225993","5.5714","0.001","11.0182","0.0012","18.753","0.003","90","","90","","90","","1151.2","0.3","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Cyclohexyl-4-methyltetrahydropyran-4-ol","","- C12 H22 O2 -","- C12 H22 O2 -","- C48 H88 O8 -","4","1","SU2176","Tiekink, Edward R. T.; Macedo, Alexandra; Wendler, Edison P.; Dos Santos, Alcindo A.; Zukerman-Schpector, Julio","2-Cyclohexyl-4-methyltetrahydropyran-4-ol","Acta Crystallographica Section E","2010","66","5","o1223","","10.1107/S1600536810015333","","","0.71073","MoKα","","0.051","0.047","","","0.105","0.107","","","","","","1.18","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226044","7.126","0.0014","11.342","0.002","39.61","0.008","90","","90","","90","","3201.4","1.1","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene- 5,13,14-tricarboxylic acid dimethylformamide disolvate","","- C30 H48 N2 O8 -","- C30 H48 N2 O8 -","- C120 H192 N8 O32 -","4","1","BQ2203","Xu, Xu; Song, Zhan-qian; Wang, Hong-xiao; Shang, Shi-bin","16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene-5,13,14-tricarboxylic acid dimethylformamide disolvate","Acta Crystallographica Section E","2010","66","6","o1318","","10.1107/S1600536810016594","","","0.71073","MoKα","","0.1059","0.0659","","","0.1577","0.1822","","","","","","0.992","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226059","12.5889","0.0011","13.7109","0.0012","17.0045","0.0014","90","","90","","90","","2935.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","swietenolide diacetate","(α<i>R</i>,4<i>R</i>,4a<i>R</i>,6a<i>S</i>,7<i>R</i>,8<i>S</i>,10<i>R</i>, 11<i>S</i>)-Methyl α,10-diacetoxy-4-(3-furyl)-4a,7,9,9-tetramethyl-2,13-dioxo- 1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-7,11-methano-2<i>H</i>- cycloocta[<i>f</i>][2]benzopyran-8-acetate","","- C31 H38 O10 -","- C31 H38 O10 -","- C124 H152 O40 -","4","1","BT5263","Goh, Bey Hing; Abdul Kadir, Habsah; Abdul Malek, Sri Nurestri; Ng, Seik Weng","Swietenolide diacetate from the seeds of <i>Swietenia macrophylla</i>","Acta Crystallographica Section E","2010","66","6","o1396","","10.1107/S1600536810017733","","","0.71073","MoKα","","0.0815","0.0427","","","0.1022","0.1267","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226105","5.5776","0.0003","7.7117","0.0004","21.8335","0.0012","90","","90","","90","","939.12","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Chloro-4-(1<i>H</i>-pyrazol-1-yl)-5-(trifluoromethyl)pyrimidine","","- C8 H4 Cl F3 N4 -","- C8 H4 Cl F3 N4 -","- C32 H16 Cl4 F12 N16 -","4","1","EZ2213","Bunker, Kevin D.; Moore, Curtis; Palmer, Cynthia L.; Rheingold, Arnold L.; Yanovsky, Alex","2-Chloro-4-(1<i>H</i>-pyrazol-1-yl)-5-(trifluoromethyl)pyrimidine","Acta Crystallographica Section E","2010","66","6","o1448","","10.1107/S1600536810018854","","","1.54178","CuKα","","0.038","0.033","","","0.079","0.082","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226123","7.2672","0.0015","16.606","0.003","20.009","0.004","90","","90","","90","","2414.7","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","21-(3-Carboxypropanoyl)-11β,17-dihydroxypregn-4-ene-3,20-dione monohydrate","","- C25 H36 O9 -","- C25 H36 O9 -","- C100 H144 O36 -","4","1","HB5414","Wang, Hongliang; Xiao, Junhai; Chen, Pengfei; Sun, Tie-Min","21-(3-Carboxypropanoyl)-11β,17-dihydroxypregn-4-ene-3,20-dione monohydrate","Acta Crystallographica Section E","2010","66","6","o1331","","10.1107/S160053681001648X","","","0.71073","MoKα","","0.0433","0.0387","","","0.1028","0.1061","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226129","10.5815","0.0003","11.2119","0.0003","15.4569","0.0004","90","","90","","90","","1833.79","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,5-Bis(4-bromophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C21 H16 Br2 N2 -","- C21 H16 Br2 N2 -","- C84 H64 Br8 N8 -","4","1","HB5428","Samshuddin, S.; Narayana, B.; Yathirajan, H. S.; Safwan, A. P.; Tiekink, Edward R. T.","3,5-Bis(4-bromophenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2010","66","6","o1279","o1280","10.1107/S1600536810015795","","","0.71073","MoKα","","0.034","0.027","","","0.05","0.052","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226133","5.1649","0.0013","14.724","0.005","20.688","0.007","90","","90","","90","","1573.3","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(4-Acetamidobenzenesulfonamido)-3-methylbutanoic acid","","- C13 H18 N2 O5 S -","- C13 H18 N2 O5 S -","- C52 H72 N8 O20 S4 -","4","1","HB5434","Sharif, Shahzad; Iqbal, Haffsah; Khan, Islam Ullah; John, Peter; Tiekink, Edward R. T.","2-(4-Acetamidobenzenesulfonamido)-3-methylbutanoic acid","Acta Crystallographica Section E","2010","66","6","o1288","","10.1107/S1600536810016119","","","0.71073","MoKα","","0.11","0.053","","","0.132","0.209","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226138","6.0171","0.0006","15.312","0.0015","18.1493","0.0017","90","","90","","90","","1672.2","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-Chloro-<i>N</i>-[3-methyl-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2- yl)butyl]benzamide","","- C14 H16 Cl N3 O2 S -","- C14 H16 Cl N3 O2 S -","- C56 H64 Cl4 N12 O8 S4 -","4","1","HB5439","Yan, Yu-Gang; Tu, Guo-Gang; Wang, Ling-Dong; Liu, Jian; Li, Shao-Hua","4-Chloro-<i>N</i>-[3-methyl-1-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)butyl]benzamide","Acta Crystallographica Section E","2010","66","6","o1381","","10.1107/S1600536810017368","","","0.71073","MoKα","","0.1222","0.0495","","","0.0773","0.1079","","","","","","1.1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226141","7.28495","0.00014","12.5933","0.0003","22.7324","0.0005","90","","90","","90","","2085.51","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","lagochiline monohydrate","lagochiline monohydrate","","- C20 H38 O6 -","- C20 H38 O6 -","- C80 H152 O24 -","4","1","HB5443","Ibragimov, Aziz; Dolimov, Davron; Talipov, Samat; Izotova, Lidiya; Zainutdinov, Umardjon","Redetermnation of lagochiline monohydrate","Acta Crystallographica Section E","2010","66","6","o1392","","10.1107/S1600536810017800","","","1.54184","CuKα","","0.0511","0.0424","","","0.1069","0.1106","","","","","","0.981","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226150","7.8893","0.0006","11.7697","0.0009","17.4392","0.0013","90","","90","","90","","1619.3","0.2","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-2-methoxyphenol","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","HB5455","Asaruddin, Mohd Razip; Wahab, Habibah A.; Mohamed, Nornisah; Goh, Jia Hao; Fun, Hoong-Kun","4-(3,4-Dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-2-methoxyphenol","Acta Crystallographica Section E","2010","66","6","o1452","o1453","10.1107/S1600536810018891","","","0.71073","MoKα","","0.074","0.0429","","","0.0814","0.0958","","","","","","1.065","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226177","10.224","0.002","14.771","0.003","50.158","0.01","90","","90","","90","","7575","3","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(+)-{1,2-Bis[(2<i>R</i>,5<i>R</i>)-2,5-dimethylphospholan-1-yl]ethane- κ^2^<i>P</i>,<i>P</i>'}(η^4^-cycloocta-1,5-diene)rhodium(I) tetrafluoridoborate","","- C22 H40 B F4 P2 Rh -","- C22 H40 B F4 P2 Rh -","- C264 H480 B12 F48 P24 Rh12 -","12","3","IM2198","Schulz, Stefan; Drexler, Hans-Joachim; Heller, Detlef","(+)-{1,2-Bis[(2<i>R</i>,5<i>R</i>)-2,5-dimethylphospholan-1-yl]ethane-κ^2^<i>P</i>,<i>P</i>'}(η^4^-cycloocta-1,5-diene)rhodium(I) tetrafluoridoborate","Acta Crystallographica Section E","2010","66","6","m721","m722","10.1107/S1600536810019859","","","0.71073","MoKα","","0.0493","0.0319","","","0.0445","0.046","","","","","","0.872","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226194","6.668","0.0013","8.99","0.0018","17.862","0.004","90","","90","","90","","1070.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Methoxy-2-methylpropan-2-aminium 2,2,2-trifluoroacetate","","- C7 H14 F3 N O3 -","- C7 H14 F3 N O3 -","- C28 H56 F12 N4 O12 -","4","1","JH2152","Wang, Kai; Li, Yu-Feng; Song, Xiang-Hua; Feng, Mei-Li; Zhu, Hong-Jun","1-Methoxy-2-methylpropan-2-aminium 2,2,2-trifluoroacetate","Acta Crystallographica Section E","2010","66","6","o1487","","10.1107/S1600536810019100","","","0.71073","MoKα","","0.0845","0.0599","","","0.1662","0.183","","","","","","1.007","","","","has coordinates","201978","2020-10-21","18:00:00",""
"2226212","6.4834","0.0012","10.795","0.002","20.03","0.004","90","","90","","90","","1401.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-Dichloro-1-[(2<i>R</i>,5<i>S</i>)-5-ethyl-2-methyl-2-propyl- 1,3-oxazolidin-3-yl]ethanone","","- C11 H19 Cl2 N O2 -","- C11 H19 Cl2 N O2 -","- C44 H76 Cl8 N4 O8 -","4","1","LH5034","Fu, Ying; Ye, Fei; Wen, Xiaotian","2,2-Dichloro-1-[(2<i>R</i>,5<i>S</i>)-5-ethyl-2-methyl-2-propyl-1,3-oxazolidin-3-yl]ethanone","Acta Crystallographica Section E","2010","66","6","o1293","","10.1107/S1600536810016090","","","0.71073","MoKα","","0.1224","0.0841","","","0.2216","0.2584","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226213","6.7928","0.0003","7.5822","0.0003","14.1165","0.0006","90","","90","","90","","727.06","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Deoxy-6-fluoro-D-galactose","","- C6 H11 F O5 -","- C6 H11 F O5 -","- C24 H44 F4 O20 -","4","1","LH5035","Jenkinson, Sarah F.; Best, Daniel; Izumori, Ken; Wilson, Francis X.; Weymouth-Wilson, Alexander C.; Fleet, George W. J.; Thompson, Amber L.","6-Deoxy-6-fluoro-<small>D</small>-galactose","Acta Crystallographica Section E","2010","66","6","o1315","","10.1107/S1600536810016612","","","0.71073","MoKα","","0.0555","0.0477","","0.1193","0.116","0.1193","","","","","","0.9973","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226243","5.36993","0.00011","19.2205","0.0006","27.2479","0.0006","90","","90","","90","","2812.33","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Ethyl-8-methoxy-4-(2,3,4,6-tetra-<i>O</i>-acetyl-β-D- glucopyranosyloxy)quinolin-2(1<i>H</i>)-one","","- C26 H31 N O12 -","- C26 H31 N O12 -","- C104 H124 N4 O48 -","4","1","NK2031","Kimmel, Roman; Nečas, Marek; Kafka, Stanislav; Košmrlj, Janez; Vícha, Robert","3-Ethyl-8-methoxy-4-(2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranosyloxy)quinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2010","66","6","o1328","o1329","10.1107/S1600536810016636","","","0.71073","MoKα","","0.0392","0.0317","","","0.0777","0.0797","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226245","10.1682","0.0007","11.0867","0.0008","15.8882","0.0011","90","","90","","90","","1791.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>^6^,3'-<i>cyclo</i>-5'-<i>O</i>-Cyanomethylthymidine","","- C19 H20 N4 O4 -","- C19 H20 N4 O4 -","- C76 H80 N16 O16 -","4","1","OM2332","Sun, Jingbo; Yang, Kun; Duan, Ronghui; Wu, Jinchang","<i>N</i>^6^,3'-<i>cyclo</i>-5'-<i>O</i>-Cyanomethylthymidine","Acta Crystallographica Section E","2010","66","6","o1512","","10.1107/S1600536810019379","","","0.71073","MoKα","","0.0441","0.034","","","0.0737","0.0792","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226254","7.4807","0.0006","15.1483","0.0013","17.7147","0.0015","90","","90","","90","","2007.4","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichlorido{(<i>E</i>)-2,4,6-trimethyl-<i>N</i>-[phenyl(2- pyridyl)methylidene]aniline-κ^2^<i>N</i>,<i>N'</i>}palladium(II)","","- C21 H20 Cl2 N2 Pd -","- C21 H20 Cl2 N2 Pd -","- C84 H80 Cl8 N8 Pd4 -","4","1","PK2244","Yang, Cheng-Hsien; Peng, Ya-Liu; Wang, Mei-Hua; Shih, Kuo-Chen; Hsueh, Mao-Lin","Dichlorido{(<i>E</i>)-2,4,6-trimethyl-<i>N</i>-[phenyl(2-pyridyl)methylidene]aniline-κ^2^<i>N</i>,<i>N</i>'}palladium(II)","Acta Crystallographica Section E","2010","66","6","m633","","10.1107/S1600536810016466","","","0.71073","MoKα","","0.0192","0.0187","","","0.0516","0.0519","","","","","","1.012","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226265","5.0434","0.0002","12.9354","0.0004","20.8916","0.0007","90","","90","","90","","1362.93","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromophenyl)prop-2-en-1-one","","- C16 H11 Br O3 -","- C16 H11 Br O3 -","- C64 H44 Br4 O12 -","4","1","RZ2432","Li, Hongqi; Rathore, R. S.; Prakash Kamath, K.; Yathirajan, H. S.; Narayana, B.","(2<i>E</i>)-1-(1,3-Benzodioxol-5-yl)-3-(2-bromophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","6","o1289","o1290","10.1107/S1600536810015552","","","0.71073","MoKα","","0.0384","0.0337","","","0.0825","0.0858","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226267","5.6545","0.0002","7.3966","0.0002","38.7497","0.0013","90","","90","","90","","1620.67","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methoxybenzenecarbothioamide","","- C8 H9 N O S -","- C8 H9 N O S -","- C64 H72 N8 O8 S8 -","8","2","RZ2437","Ali, Saqib; Hameed, Shahid; Luqman, Ahmad; Akhtar, Tashfeen; Parvez, Masood","4-Methoxybenzenecarbothioamide","Acta Crystallographica Section E","2010","66","6","o1272","","10.1107/S1600536810015825","","","0.71073","MoKα","","0.036","0.033","","","0.076","0.078","","","","","","1.09","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226298","12.126","0.003","13.842","0.003","14.318","0.003","90","","90","","90","","2403.2","0.9","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-amino-5-methylpyridinium picolinate 1.25-hydrate","2-Amino-5-methylpyridinium pyridine-2-carboxylate 1.25-hydrate","","- C12 H14.25 N3 O2.63 -","- C12 H14.25 N3 O2.625 -","- C96 H114 N24 O21 -","8","2","SJ5005","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-5-methylpyridinium picolinate 0.63-hydrate","Acta Crystallographica Section E","2010","66","6","o1420","o1421","10.1107/S1600536810018180","","","0.71073","MoKα","","0.0699","0.0461","","","0.1168","0.1407","","","","","","1.085","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226340","12.039","0.003","15.805","0.004","17.32","0.003","90","","90","","90","","3295.6","1.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Deoxyaconitine","8β-acetoxy-14α-benzoyloxy-<i>N</i>-ethyl-13β,15α-dihydroxy-1α,6α,16β- trimethoxy-4β-methoxymethyleneaconitane","","- C34 H47 N O10 -","- C34 H47 N O10 -","- C136 H188 N4 O40 -","4","1","XU2759","Gao, Feng; Zhu, Shou-An; Xiong, Shi-Jun","3-Deoxyaconitine from the root of <i>Aconitum Carmichaeli</i> Debx.","Acta Crystallographica Section E","2010","66","6","o1342","","10.1107/S1600536810016922","","","0.71073","MoKα","","0.1547","0.0756","","","0.2081","0.2454","","","","","","0.972","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226347","9.3958","0.0001","13.0509","0.0001","19.4047","0.0003","90","","90","","90","","2379.48","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[2,2'-(2,6,9,13-Tetraazatetradecane-1,14-diyl)diphenolato]iron(III) iodide","","- C22 H32 Fe I N4 O2 -","- C22 H32 Fe I N4 O2 -","- C88 H128 Fe4 I4 N16 O8 -","4","1","ZL2278","Assey, Gervas; Butcher, Ray J.; Gultneh, Yilma; Yisgedu, Teshome","[2,2'-(2,6,9,13-Tetraazatetradecane-1,14-diyl)diphenolato]iron(III) iodide","Acta Crystallographica Section E","2010","66","6","m711","m712","10.1107/S1600536810018787","","","0.71073","MoKα","","0.0495","0.0326","","","0.0627","0.0657","","","","","","0.942","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2226356","10.684","0.002","13.954","0.003","14.583","0.003","90","","90","","90","","2174.1","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethylammonium perchlorate 18-crown-6 monohydrate clathrate","","- C14 H34 Cl N O11 -","- C14 H34 Cl N O11 -","- C56 H136 Cl4 N4 O44 -","4","1","BH2290","Ge, Jia-Zhen; Zhao, Min-Min; Shi, Ping-Ping","Dimethylammonium perchlorate 18-crown-6 monohydrate clathrate","Acta Crystallographica Section E","2010","66","7","o1740","","10.1107/S1600536810023421","","","0.71073","MoKα","","0.1065","0.0581","","","0.142","0.1713","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226357","7.5714","0.0003","15.974","0.0007","18.2994","0.0008","90","","90","","90","","2213.23","0.16","115","","115","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>S</i>)-2-(phenylselanyl)cyclohexyl (<i>R</i>)-2-methoxy-2-(1-naphthyl)propionate","","- C26 H28 O3 Se -","- C26 H28 O3 Se -","- C104 H112 O12 Se4 -","4","1","BH2291","Murakami, Satoshi; Kato, Akane; Katagiri, Hiroshi; Matsumoto, Takatoshi; Kijima, Tatsuro","Conformation and absolute configuration of (1<i>S</i>,2<i>S</i>)-2-(phenylselanyl)cyclohexyl (<i>R</i>)-2-methoxy-2-(1-naphthyl)propionate","Acta Crystallographica Section E","2010","66","7","o1677","","10.1107/S1600536810022233","","","0.71075","MoKα","","0.027","0.0238","","","0.0533","0.0547","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226360","8.4605","0.0002","13.3603","0.0004","20.5688","0.0007","90","","90","","90","","2324.99","0.12","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Triethylammonium 1,1'-binaphthyl-2,2'-diyl phosphate","","- C26 H28 N O4 P -","- C26 H28 N O4 P -","- C104 H112 N4 O16 P4 -","4","1","BQ2208","Gowda, Ravikumar R.; Ramkumar, Venkatachalam; Chakraborty, Debashis","Triethylammonium 1,1'-binaphthyl-2,2'-diyl phosphate","Acta Crystallographica Section E","2010","66","7","o1625","","10.1107/S160053681002026X","","","0.71073","MoKα","","0.0517","0.043","","","0.1144","0.1209","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226367","9.148","0.0018","10.742","0.002","23.258","0.005","90","","90","","90","","2285.5","0.8","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Methyl 5-chloro-2-[<i>N</i>-(3-ethoxycarbonylpropyl)- 4-methylbenzenesulfonamido]benzoate","","- C21 H24 Cl N O6 S -","- C21 H24 Cl N O6 S -","- C84 H96 Cl4 N4 O24 S4 -","4","1","BQ2221","Wang, Bin; Jia, Ru; Shi, Ya-Bin; He, Fei-Fei; Wang, Hai-Bo","Methyl 5-chloro-2-[<i>N</i>-(3-ethoxycarbonylpropyl)-4-methylbenzenesulfonamido]benzoate","Acta Crystallographica Section E","2010","66","7","o1819","","10.1107/S1600536810023792","","","0.71073","MoKα","","0.1255","0.0628","","","0.0948","0.1135","","","","","","0.92","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226369","5.3159","0.001","14.383","0.003","15.625","0.003","90","","90","","90","","1194.7","0.4","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Amino-5-methylpyridinium 4-carboxybutanoate","","- C11 H16 N2 O4 -","- C11 H16 N2 O4 -","- C44 H64 N8 O16 -","4","1","BV2141","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-5-methylpyridinium 4-carboxybutanoate","Acta Crystallographica Section E","2010","66","7","o1841","o1842","10.1107/S1600536810024451","","","0.71073","MoKα","","0.0464","0.0373","","","0.1019","0.1094","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226372","11.8841","0.0011","14.8301","0.0013","15.2755","0.0013","90","","90","","90","","2692.2","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","14-Hydroxy-8,14-secogammacera-7-ene-3,21-dione","","- C30 H48 O3 -","- C30 H48 O3 -","- C120 H192 O12 -","4","1","CI5095","Supratman, Unang; Mayanti, Tri; Awang, Khalijah; Mukhtar, Mat Ropi; Ng, Seik Weng","14-Hydroxy-8,14-secogammacera-7-ene-3,21-dione from the bark of <i>Lansium domesticum</i> Corr.","Acta Crystallographica Section E","2010","66","7","o1621","","10.1107/S1600536810021136","","","0.71073","MoKα","","0.0487","0.0391","","","0.0919","0.0984","","","","","","1.007","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226376","7.72","0.002","11.398","0.003","15.072","0.005","90","","90","","90","","1326.2","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-(4-Hydroxybenzylidene)-2-nitrobenzohydrazide","","- C14 H11 N3 O4 -","- C14 H11 N3 O4 -","- C56 H44 N12 O16 -","4","1","CI5099","Liu, Shi-Yong; You, Zhonglu","(<i>E</i>)-<i>N</i>'-(4-Hydroxybenzylidene)-2-nitrobenzohydrazide","Acta Crystallographica Section E","2010","66","7","o1652","","10.1107/S1600536810022075","","","0.71073","MoKα","","0.0944","0.0481","","","0.1024","0.1245","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226404","4.6773","0.0004","11.6092","0.0012","23.6751","0.0004","90","","90","","90","","1285.55","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-[(4-Iodophenyl)iminomethyl]-6-methylphenol","","- C14 H12 I N O -","- C14 H12 I N O -","- C56 H48 I4 N4 O4 -","4","1","DN2563","Özdemir Tarı, Gonca; Ceylan, Umit; Macit, Mustafa; Isık, Şamil","(<i>E</i>)-2-[(4-Iodophenyl)iminomethyl]-6-methylphenol","Acta Crystallographica Section E","2010","66","7","o1568","","10.1107/S160053681001826X","","","0.71073","MoKα","","0.0559","0.0368","","","0.0738","0.0777","","","","","","0.864","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226424","6.4844","0.0005","7.5109","0.0005","28.5305","0.0019","90","","90","","90","","1389.54","0.17","120","2","120","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","1-(2-Phenylethyl)adamantane","","- C18 H24 -","- C18 H24 -","- C72 H96 -","4","1","EZ2215","Rouchal, Michal; Nečas, Marek; Vícha, Robert","1-(2-Phenylethyl)adamantane","Acta Crystallographica Section E","2010","66","7","o1736","","10.1107/S1600536810023251","","","0.71073","MoKα","","0.0478","0.0419","","","0.1254","0.1273","","","","","","1.295","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2226425","8.2575","0.0002","12.3909","0.0004","29.0992","0.0008","90","","90","","90","","2977.37","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β-Hydroxylup-20(29)-en-28-yl 1<i>H</i>-imidazole-1-carboxylate","","- C34 H52 N2 O3 -","- C34 H52 N2 O3 -","- C136 H208 N8 O12 -","4","1","EZ2217","Santos, R. C.; Matos Beja, A.; Salvador, J. A. R.; Paixão, J. A.","3β-Hydroxylup-20(29)-en-28-yl 1<i>H</i>-imidazole-1-carboxylate","Acta Crystallographica Section E","2010","66","7","o1878","o1879","10.1107/S160053681002489X","","","0.71073","MoKα","","0.0878","0.0486","","","0.1024","0.1187","","","","","","1.017","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226462","7.1969","0.0005","11.8023","0.0007","15.3721","0.0008","90","","90","","90","","1305.71","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethyl-<i>N</i>-[(<i>E</i>)-4-nitrobenzylidene]aniline","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","HB5464","Tariq, Muhammad Ilyas; Ahmad, Shahbaz; Tahir, M. Nawaz; Sarfaraz, Muhammad; Hussain, Ishtiaq","2,3-Dimethyl-<i>N</i>-[(<i>E</i>)-4-nitrobenzylidene]aniline","Acta Crystallographica Section E","2010","66","7","o1561","","10.1107/S160053681001932X","","","0.71073","MoKα","","0.0875","0.0469","","","0.0959","0.1111","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226464","7.6729","0.0001","9.3972","0.0001","24.1946","0.0003","90","","90","","90","","1744.52","0.04","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7α-Hydroxyroyleanone or 7α,12-Dihydroxy-8,12-abietadiene,11,14-dione","(4b<i>S</i>,8a<i>S</i>,10<i>R</i>)-3,10-dihydroxy-2-isopropyl-4b,8,8-trimethyl- 1,4,4b,5,6,7,8,8a,9,10-decahydrophenanthrene-1,4-dione","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","HB5468","Razak, Ibrahim Abdul; Salae, Abdul Wahab; Chantrapromma, Suchada; Karalai, Chatchanok; Fun, Hoong-Kun","Redetermination and absolute configuration of 7α-hydroxyroyleanone","Acta Crystallographica Section E","2010","66","7","o1566","o1567","10.1107/S1600536810020544","","","1.54178","CuKα","","0.0274","0.0273","","","0.0734","0.0736","","","","","","1.037","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226484","4.7434","0.0001","6.4189","0.0002","24.9413","0.0011","90","","90","","90","","759.4","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Chloromethyl-4-nitrobenzene","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","HB5491","Aziz-ur-Rehman; Yasir, Ammar; Akkurt, Mehmet; Abbasi, Muhammad Athar; Jahangir, Muhammad; Khan, Islam Ullah","1-Chloromethyl-4-nitrobenzene","Acta Crystallographica Section E","2010","66","7","o1667","","10.1107/S1600536810022191","","","0.71073","MoKα","","0.0485","0.0412","","","0.0982","0.1028","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226512","5.4023","0.0003","10.0999","0.0006","26.2205","0.0017","90","","90","","90","","1430.66","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-4-Phenyl-2-[(<i>S</i>)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4,5- dihydro-1,3-oxazole","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","HG2694","Chakka, Sai K.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(<i>R</i>)-4-Phenyl-2-[(<i>S</i>)-1,2,3,4-tetrahydroisoquinolin-3-yl]-4,5-dihydro-1,3-oxazole","Acta Crystallographica Section E","2010","66","7","o1818","","10.1107/S1600536810022130","","","1.54178","CuKα","","0.032","0.0301","","","0.0752","0.0764","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226525","6.1932","0.0004","8.8109","0.0005","20.5269","0.0012","90","","90","","90","","1120.11","0.12","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Fluoro-4-(4-hydroxyphenoxy)benzonitrile","","- C13 H8 F N O2 -","- C13 H8 F N O2 -","- C52 H32 F4 N4 O8 -","4","1","IM2202","Zheng, Mei; Wang, Jianfeng; Zhang, Jixu; Luo, Shuping","3-Fluoro-4-(4-hydroxyphenoxy)benzonitrile","Acta Crystallographica Section E","2010","66","7","o1856","","10.1107/S1600536810024360","","","0.71073","MoKα","","0.0718","0.0374","","","0.0862","0.117","","","","","","1.007","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226533","7.9938","0.0009","11.207","0.001","17.984","0.002","90","","90","","90","","1611.1","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,3<i>S</i>,4<i>R</i>,4a<i>S</i>,7<i>R</i>,7a<i>S</i>,10<i>R</i>, 12a<i>R</i>)-3-Azido-4,7,10-trimethyl-1,10-epidioxyperhydropyrano[4,3- <i>j</i>][1,2]benzodioxepine","","- C15 H23 N3 O4 -","- C15 H23 N3 O4 -","- C60 H92 N12 O16 -","4","1","IM2212","Xie, Lijun; Zhai, Xin; Zuo, Jian; Zhao, Yanfang; Gong, Ping","(1<i>R</i>,3<i>S</i>,4<i>R</i>,4a<i>S</i>,7<i>R</i>,7a<i>S</i>,10<i>R</i>,12a<i>R</i>)-3-Azido-4,7,10-trimethyl-1,10-epidioxyperhydropyrano[4,3-<i>j</i>][1,2]benzodioxepine","Acta Crystallographica Section E","2010","66","7","o1839","","10.1107/S1600536810024566","","","0.71073","MoKα","","0.0722","0.0401","","","0.0834","0.1033","","","","","","1.091","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226537","7.20849","0.00017","8.83039","0.00019","15.6656","0.0004","90","","90","","90","","997.17","0.04","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6<i>S</i>,7<i>S</i>,8<i>R</i>,8a<i>S</i>)-6-Ethylperhydroindolizine-7,8-diol","","- C10 H19 N O2 -","- C10 H19 N O2 -","- C40 H76 N4 O8 -","4","1","IS2552","Švorc, Ľubomír; Vrábel, Viktor; Žúžiová, Jozefína; Marchalín, Štefan; Kožíšek, Jozef","(6<i>S</i>,7<i>S</i>,8<i>R</i>,8a<i>S</i>)-6-Ethylperhydroindolizine-7,8-diol","Acta Crystallographica Section E","2010","66","7","o1666","","10.1107/S1600536810021240","","","0.71073","MoKα","","0.0401","0.035","","","0.0969","0.0988","","","","","","1.069","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226566","4.79","0.001","16.61","0.003","18.02","0.004","90","","90","","90","","1433.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MT-tubercidin.H~2~O","7-(5-Methylsulfanyl-β-D-erythrofuranosyl)-7<i>H</i>-\ pyrrolo[2,3-<i>d</i>]pyrimidin-4-amine monohydrate","","- C12 H18 N4 O4 S -","- C12 H18 N4 O4 S -","- C48 H72 N16 O16 S4 -","4","1","KP2257","Gainsford, Graeme J.; Fröhlich, Richard F. G.; Evans, Gary B.","7-(5-Methylsulfanyl-β-<small>D</small>-erythrofuranosyl)-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4-amine monohydrate (MT-tubercidin·H~2~O)","Acta Crystallographica Section E","2010","66","7","o1688","o1689","10.1107/S1600536810020179","","","1.54178","CuKα","","0.0419","0.0388","","","0.0886","0.0907","","","","","","1.08","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226584","5.7745","0.0002","7.9055","0.0003","22.1835","0.0007","90","","90","","90","","1012.68","0.06","111","2","111","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 6-deoxy-6-iodo-α-D-galactoside","Methyl 6-deoxy-6-iodo-α-D-galactoside","","- C7 H13 I O5 -","- C7 H13 I O5 -","- C28 H52 I4 O20 -","4","1","LH5062","Gulab, Shivali A.; Cheng, Janice M. H.; Timmer, Mattie S. M.; Stocker, Bridget L.; Gainsford, Graeme J.","Methyl 6-deoxy-6-iodo-α-<small>D</small>-galactoside","Acta Crystallographica Section E","2010","66","7","o1724","","10.1107/S1600536810022786","","","0.71073","MoKα","","0.0226","0.0214","","","0.0493","0.0498","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226598","7.461","0.005","12.008","0.007","13.236","0.008","90","","90","","90","","1185.8","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide dihydrate","","- C8 H18 Br N3 O2 -","- C8 H18 Br N3 O2 -","- C32 H72 Br4 N12 O8 -","4","1","NC2186","Cai, Ying","1-Cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide dihydrate","Acta Crystallographica Section E","2010","66","7","o1527","","10.1107/S1600536810019926","","","0.71073","MoKα","","0.0547","0.0408","","","0.0724","0.0774","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226671","7.2246","0.0002","13.3872","0.0004","26.1898","0.0008","90","","90","","90","","2533","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methyl isoeichlerialactone 0.56-hydrate","Methyl (3<i>S</i>,3a<i>R</i>,5a<i>R</i>,6<i>S</i>,7<i>S</i>,9a<i>R</i>,\ 9b<i>R</i>)-6,9a,9b-trimethyl-3-[(<i>R</i>)-2-methyl-5-oxotetrahydrofuran-\ 2-yl]-7-(prop-1-en-2-yl)dodecahydro-1<i>H</i>-cyclopenta[<i>a</i>]naphthalen-\ 6-yl)propanoate 0.56-hydrate","","- C28 H45.12 O4.56 -","- C28 H45.116 O4.558 -","- C112 H180.464 O18.232 -","4","1","SJ5002","Fun, Hoong-Kun; Joycharat, Nantiya; Voravuthikunchai, Supayang Piyawan; Chantrapromma, Suchada","Absolute configuration of methyl isoeichlerialactone","Acta Crystallographica Section E","2010","66","7","o1604","o1605","10.1107/S1600536810018295","","","1.54178","CuKα","","0.045","0.0364","","","0.0922","0.0987","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2226759","7.3138","0.0004","12.4206","0.0007","13.9408","0.0008","90","","90","","90","","1266.41","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-hydroxy-1,5,5-trimethyl-1,8-epidioxyspiro[5.5]decan-2-one","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","ZS2044","Liu, Dongze","3-Hydroxy-8-oxo-3-nor-methylchamigrane-2,7-peroxide","Acta Crystallographica Section E","2010","66","7","o1875","","10.1107/S1600536810024517","","","0.71073","MoKα","","0.0409","0.0373","","","0.0994","0.1025","","","","","","1.082","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226777","8.7174","0.0006","11.7401","0.0008","23.1106","0.0016","90","","90","","90","","2365.2","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","14-Deoxyxyloccensin K","","","- C27 H34 O7 -","- C27 H34 O7 -","- C108 H136 O28 -","4","1","BT5284","Najmuldeen, Ibrahim A.; Abdul Hadi, Abdul Hamid; Awang, Khalijah; Mohamad, Khalit; Ng, Seik Weng","14-Deoxyxyloccensin K from <i>Chisocheton ceramicus</i> (Meliaceae)","Acta Crystallographica Section E","2010","66","8","o1927","","10.1107/S160053681002564X","","","0.71073","MoKα","","0.0487","0.0382","","","0.092","0.0976","","","","","","1.034","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226803","7.3978","0.0012","10.1302","0.0012","13.7118","0.0017","90","","90","","90","","1027.6","0.2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","guanidinium 3-nitrobenzoate","Guanidinium 3-nitrobenzoate","","- C8 H10 N4 O4 -","- C8 H10 N4 O4 -","- C32 H40 N16 O16 -","4","1","BV2146","Smith, Graham; Wermuth, Urs D.","Guanidinium 3-nitrobenzoate","Acta Crystallographica Section E","2010","66","8","o1946","","10.1107/S160053681002581X","","","0.71073","MoKα","","0.0414","0.0346","","","0.0926","0.096","","","","","","1.03","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226808","8.5197","0.0017","9.7036","0.0019","17.013","0.003","90","","90","","90","","1406.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1,2,4-Trimethylpiperazine-1,4-diium tetrachloridozincate(II)","","- C7 H18 Cl4 N2 Zn -","- C7 H18 Cl4 N2 Zn -","- C28 H72 Cl16 N8 Zn4 -","4","1","BX2289","Ru, Zong-ling","(<i>S</i>)-1,2,4-Trimethylpiperazine-1,4-diium tetrachloridozincate(II)","Acta Crystallographica Section E","2010","66","8","m1013","","10.1107/S1600536810028631","","","0.71073","MoKα","","0.0391","0.0316","","","0.0643","0.0669","","","","","","1.081","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226834","7.3036","0.0015","9.789","0.002","25.553","0.005","90","","90","","90","","1826.9","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β-Acetoxy-8β,10β-dihydroxy-6β-methoxyeremophil-7(11)-en-8,12-olide","","- C18 H26 O7 -","- C18 H26 O7 -","- C72 H104 O28 -","4","1","CV2743","Wu, Hai-Bo; Li, Hua; Lan, Xiao-Cong; Wang, Wen-Shu","3β-Acetoxy-8β,10β-dihydroxy-6β-methoxyeremophil-7(11)-en-8,12-olide","Acta Crystallographica Section E","2010","66","8","o2161","","10.1107/S1600536810029831","","","0.71073","MoKα","","0.0744","0.0492","","","0.1136","0.1386","","","","","","0.89","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226840","7.5025","0.0002","13.8946","0.0004","14.2477","0.0003","90","","90","","90","","1485.24","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Amino(5-{2-[amino(iminio)methyl]hydrazin-1-yl}-3,5-dimethyl-4,5-dihydro- 1<i>H</i>-pyrazol-1-yl)methaniminium dinitrate","","- C7 H18 N10 O6 -","- C7 H18 N10 O6 -","- C28 H72 N40 O24 -","4","1","DN2584","Novaković, Sladjana B.; Lalović, Mirjana; Divjaković, Vladimir; Vojinović-Ješić, Ljiljana S.; Češljević, Valerija I.","Amino(5-{2-[amino(iminio)methyl]hydrazin-1-yl}-3,5-dimethyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)methaniminium dinitrate","Acta Crystallographica Section E","2010","66","8","o1916","o1917","10.1107/S1600536810025006","","","0.71073","MoKα","","0.0564","0.0429","","","0.1088","0.1137","","","","","","1.027","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226853","8.3859","0.0004","11.0454","0.0005","31.0799","0.0013","90","","90","","90","","2878.8","0.2","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Xyloccensin L","(1<i>R</i>,4a<i>R</i>,4b<i>S</i>,5a<i>R</i>,6a<i>R</i>,9<i>R</i>, 10<i>S</i>,10a<i>S</i>,10b<i>R</i>,12a<i>R</i>,13<i>R</i>)-1-(furan-3-yl)- 6a-hydroxy-10-(2-methoxy-2-oxoethyl)-9,10a,12a-trimethyl-3-oxododecahydro- 1<i>H</i>,3<i>H</i>,5a<i>H</i>-6,9-methanoisochromeno[6,5- <i>f</i>]oxireno[<i>g</i>]chromen-13-yl (2<i>E</i>)-2-methylbut-2-enoate","","- C32 H40 O10 -","- C32 H40 O10 -","- C128 H160 O40 -","4","1","EZ2224","Feng, Gang; Zhang, Jing; Li, Jun; Satyanandamurty, Tirumani; Wu, Jun","Xyloccensin L","Acta Crystallographica Section E","2010","66","8","o2111","o2112","10.1107/S1600536810028527","","","0.71073","MoKα","","0.042","0.0362","","","0.0922","0.0961","","","","","","1.026","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226864","7.302","0.0015","9.317","0.0019","25.95","0.005","90","","90","","90","","1765.4","0.6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(1<i>H</i>-Benzimidazol-2-ylmethoxy)-3-ethoxybenzaldehyde trihydrate","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","1","FL2307","Jasinski, Jerry P.; Braley, Adam N.; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.","4-(1<i>H</i>-Benzimidazol-2-ylmethoxy)-3-ethoxybenzaldehyde trihydrate","Acta Crystallographica Section E","2010","66","8","o2052","","10.1107/S1600536810027455","","","1.54178","CuKα","","0.0366","0.0352","","","0.1011","0.1021","","","","","","1.06","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226869","6.4755","0.0011","8.2817","0.0013","38.32","0.006","90","","90","","90","","2055","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(1<i>R</i>,4<i>S</i>)-(+)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan- 2-olato-κ^2^<i>O</i>^2^,<i>O</i>^3^](η^4^-norbornadiene)rhodium(I)","","- C24 H27 O2 Rh -","- C24 H27 O2 Rh -","- C96 H108 O8 Rh4 -","4","1","GK2290","Harrad, Mohamed Anoir; Boualy, Brahim; Ali, Mustapha Ait; Firdoussi, Larbi El; Rizzoli, Corrado","[(1<i>R</i>,4<i>S</i>)-(+)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-olato-κ^2^<i>O</i>^2^,<i>O</i>^3^](η^4^-norbornadiene)rhodium(I)","Acta Crystallographica Section E","2010","66","8","m915","m916","10.1107/S160053681002667X","","","0.71073","MoKα","","0.0347","0.0338","","","0.0741","0.0743","","","","","","1.271","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226878","7.7914","0.0002","8.2149","0.0003","15.483","0.0005","90","","90","","90","","991","0.05","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,7-Dimethylpentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","HB5509","Chakka, Sai Kumar; Onajole, Oluseye K.; Govender, Thavendran; Maguire, Glenn E. M.; Su, Hong; Kruger, Hendrik G.","1,7-Dimethylpentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-dione","Acta Crystallographica Section E","2010","66","8","o1901","o1902","10.1107/S1600536810025055","","","1.54184","CuKα","","0.0334","0.0331","","","0.0891","0.0895","","","","","","1.058","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226882","6.967","0.005","11.47","0.009","20.891","0.016","90","","90","","90","","1669","2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pregna-1,4,20-triene-3-one","(8<i>S</i>,9<i>S</i>,10<i>R</i>,13<i>R</i>,14<i>S</i>,17<i>R</i>)-10,13- dimethyl-17-vinyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3<i>H</i>- cyclopenta[<i>a</i>]phenanthren-3-one","","- C21 H28 O -","- C21 H28 O -","- C84 H112 O4 -","4","1","HB5516","Tabot, Maria B.; Schnakenburg, Gregor; Gross, Harald","Pregna-1,4,20-trien-3-one, a cytotoxic marine steroid from the marine soft coral <i>Nephthea</i> sp.","Acta Crystallographica Section E","2010","66","8","o2040","o2041","10.1107/S1600536810027352","","","0.71073","MoKα","","0.1596","0.0627","","","0.1112","0.1424","","","","","","0.966","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226943","9.508","0.0002","9.57","0.0002","32.368","0.0007","90","","90","","90","","2945.21","0.11","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-Bis(ferrocenylmethyl)-1,2- diphenylethane-1,2-diamine","","- C36 H36 Fe2 N2 -","- C36 H36 Fe2 N2 -","- C144 H144 Fe8 N8 -","4","1","IM2210","Guo, Yi; Wang, Jianfeng; Zhang, Chixiao; Luo, Shuping","(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-Bis(ferrocenylmethyl)-1,2-diphenylethane-1,2-diamine","Acta Crystallographica Section E","2010","66","8","m989","","10.1107/S1600536810024293","","","0.71073","MoKα","","0.0421","0.0297","","","0.0688","0.0765","","","","","","1.005","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2226950","5.1499","0.0012","14.858","0.004","16.022","0.004","90","","90","","90","","1226","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-Amino-5-bromopyridinium hydrogen glutarate","2-amino-5-bromopyridinium 4-carboxybutanoate","","- C10 H13 Br N2 O4 -","- C10 H13 Br N2 O4 -","- C40 H52 Br4 N8 O16 -","4","1","IS2573","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-5-bromopyridinium 4-carboxybutanoate","Acta Crystallographica Section E","2010","66","8","o1964","","10.1107/S1600536810026280","","","0.71073","MoKα","","0.0684","0.0414","","","0.1049","0.1157","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226951","5.197","0.0014","14.509","0.004","15.97","0.005","90","","90","","90","","1204.2","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-amino-5-chloropyridinium hydrogen glutarate","2-Amino-5-chloropyridinium 4-carboxybutanoate","","- C10 H13 Cl N2 O4 -","- C10 H13 Cl N2 O4 -","- C40 H52 Cl4 N8 O16 -","4","1","IS2574","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-5-chloropyridinium 4-carboxybutanoate","Acta Crystallographica Section E","2010","66","8","o2008","o2009","10.1107/S1600536810027091","","","0.71073","MoKα","","0.0893","0.0437","","","0.0929","0.1111","","","","","","1.014","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2226957","6.7367","0.0002","12.7818","0.0003","19.3472","0.0005","90","","90","","90","","1665.93","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Vouacapen-5α-ol","(4a<i>R</i>,6a<i>S</i>,7<i>R</i>,11a<i>S</i>,11b<i>R</i>)-4,4,7,11b- tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b- dodecahydrophenanthro[3,2-<i>b</i>]furan-4a-ol","","- C20 H30 O2 -","- C20 H30 O2 -","- C80 H120 O8 -","4","1","IS2581","Fun, Hoong-Kun; Yodsaoue, Orapun; Chantrapromma, Suchada; Karalai, Chatchanok","Absolute configuration of vouacapen-5α-ol","Acta Crystallographica Section E","2010","66","8","o2166","o2167","10.1107/S1600536810029557","","","1.54178","CuKα","","0.0292","0.027","","","0.0785","0.0883","","","","","","1.159","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227008","11.5899","0.0019","13.038","0.002","20.794","0.003","90","","90","","90","","3142.2","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4- hydroxyphenyl)acetic acid","","- C15 H17 N3 O6 -","- C15 H17 N3 O6 -","- C120 H136 N24 O48 -","8","2","LX2155","Wang, Qian; Hu, Ling; Ma, Jian-Ping; Guo, Dian-Shun","(2<i>S</i>)-2-(4-Ethyl-2,3-dioxopiperazine-1-carboxamido)-2-(4-hydroxyphenyl)acetic acid","Acta Crystallographica Section E","2010","66","8","o1907","o1908","10.1107/S1600536810025262","","","0.71073","MoKα","","0.0542","0.0437","","","0.1016","0.1073","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227020","8.074","0.0006","12.1109","0.0008","22.1813","0.0015","90","","90","","90","","2169","0.3","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Methyl 4-(4-chlorophenyl)-3,3a,4,4a,5,12c-hexahydro-2- thianaphtho[1',2':3,2]furo[5,4-<i>b</i>]pyrrolizine-4a-carboxylate","","- C25 H22 Cl N O3 S -","- C25 H22 Cl N O3 S -","- C100 H88 Cl4 N4 O12 S4 -","4","1","NG5001","Selvanayagam, S.; Sridhar, B.; Ravikumar, K.; Kathiravan, S.; Raghunathan, R.","Methyl 4-(4-chlorophenyl)-3,3a,4,4a,5,12c-hexahydro-2-thianaphtho[1',2':3,2]furo[5,4-<i>b</i>]pyrrolizine-4a-carboxylate","Acta Crystallographica Section E","2010","66","8","o2098","","10.1107/S1600536810028746","","","0.71073","MoKα","","0.0495","0.0438","","","0.1058","0.11","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227021","5.885","0.0012","7.5965","0.0015","28.273","0.006","90","","90","","90","","1264","0.4","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-<i>N</i>-{3-[1-(4-Chlorophenyl)ethyl]thiazolidin-2-ylidene}cyanamide","","- C12 H12 Cl N3 S -","- C12 H12 Cl N3 S -","- C48 H48 Cl4 N12 S4 -","4","1","NG5002","Li, Hong-xin; Zhang, Xiao-jun; Xu, Liang-zhong","(<i>Z</i>)-<i>N</i>-{3-[1-(4-Chlorophenyl)ethyl]thiazolidin-2-ylidene}cyanamide","Acta Crystallographica Section E","2010","66","8","o2171","","10.1107/S1600536810029879","","","0.71073","MoKα","","0.0533","0.0458","","","0.1078","0.1132","","","","","","1.059","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227024","9.853","0.0006","10.6964","0.0007","10.8226","0.0007","90","","90","","90","","1140.61","0.13","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>-Methyl-2-thiocytisine","(1<i>R</i>,5<i>S</i>)-1,2,3,4,5,6-hexahydro-1,5-methano-8<i>H</i>- pyrido[1,2-<i>a</i>][1,5]diazocine-8-thione","","- C12 H16 N2 S -","- C12 H16 N2 S -","- C48 H64 N8 S4 -","4","1","NK2044","Owczarzak, Anita M.; Przybył, Anna K.; Kubicki, Maciej","<i>N</i>-Methyl-2-thiocytisine","Acta Crystallographica Section E","2010","66","8","o1942","","10.1107/S1600536810025870","","","0.71073","MoKα","","0.023","0.0213","","","0.0553","0.0558","","","","","","1.069","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227041","4.4279","0.0005","12.179","0.0016","23.196","0.002","90","","90","","90","","1250.9","0.2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-[1-(hydroxyimino)methyl]-<i>N</i>-(2-hydroxy-5-bromobenzylidene)aniline","4-Bromo-2-({4-[(hydroxyimino)methyl]phenyl}iminomethyl)phenol","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C56 H44 Br4 N8 O8 -","4","1","PV2295","Yang, Yu-Hua; Wu, Jian-Chao; Gong, Shang-Sheng; Wang, Jiu-Si","4-Bromo-2-({4-[(hydroxyimino)methyl]phenyl}iminomethyl)phenol","Acta Crystallographica Section E","2010","66","8","o2014","","10.1107/S160053681002698X","","","0.71075","MoKα","","0.0423","0.027","","","0.052","0.054","","","","","","0.851","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227070","8.1643","0.0004","9.9979","0.0004","23.6503","0.0009","90","","90","","90","","1930.48","0.14","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Trichodermin","12,13-epoxytrichothec-9-en-4β-yl 4-fluorobenzoate","","- C22 H25 F O4 -","- C22 H25 F O4 -","- C88 H100 F4 O16 -","4","1","SI2275","Xu, Xu-hui; Wang, Zong-cheng; Cheng, Jing-li; Zhou, Yong; Zhao, Jin-hao","Trichodermin (12,13-epoxytrichethec-9-en-4β-yl 4-fluorobenzoate)","Acta Crystallographica Section E","2010","66","8","o2097","","10.1107/S1600536810028461","","","0.71073","MoKα","","0.0475","0.0336","","","0.0714","0.086","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227100","4.3453","0.0006","7.8191","0.0011","27.491","0.003","90","","90","","90","","934","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","potassium clavlanate","potassium (2<i>R</i>,5<i>R</i>,<i>Z</i>)- 3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate","","- C8 H8 K N O5 -","- C8 H8 K N O5 -","- C32 H32 K4 N4 O20 -","4","1","TK2689","Fujii, Kotaro; Toyota, Kazuyuki; Sekine, Akiko; Uekusa, Hidehiro; Nugrahani, Ilma; Asyarie, Sukmadjaja; Soewandhi, N. Sundani; Ibrahim, Slamet","Potassium clavulanate","Acta Crystallographica Section E","2010","66","8","m985","m986","10.1107/S1600536810027984","","","0.71075","MoKα","","0.0928","0.0444","","","0.0851","0.1175","","","","","","1.116","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227124","8.7168","0.0015","10.147","0.0018","24.478","0.004","90","","90","","90","","2165.1","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-3-Chloro-4-(4-ethylpiperazin-1-yl)- 5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5- methylcyclohexyloxy]furan-2(5<i>H</i>)-one","","- C20 H33 Cl N2 O3 -","- C20 H33 Cl N2 O3 -","- C80 H132 Cl4 N8 O12 -","4","1","XU2787","Fu, Jian-Hua; Wang, Zhao-Yang; Yang, Kai; Mao, Chao-Xu","(<i>S</i>)-3-Chloro-4-(4-ethylpiperazin-1-yl)-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2010","66","8","o2022","","10.1107/S1600536810026929","","","0.71073","MoKα","","0.0854","0.0461","","","0.092","0.1072","","","","","","1.007","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227128","11.0047","0.0008","12.9686","0.0009","15.4371","0.0011","90","","90","","90","","2203.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,9-Bis[4-(prop-2-ynyloxy)phenyl]-9<i>H</i>-fluorene","","- C31 H22 O2 -","- C31 H22 O2 -","- C124 H88 O8 -","4","1","XU2792","Shah, Kiramat; Raza Shah, Muhammad; Ng, Seik Weng","9,9-Bis[4-(prop-2-ynyloxy)phenyl]-9<i>H</i>-fluorene","Acta Crystallographica Section E","2010","66","8","o1939","","10.1107/S1600536810025833","","","0.71073","MoKα","","0.0356","0.0315","","","0.0788","0.0819","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227153","9.0163","0.0005","11.6671","0.0006","16.2019","0.0008","90","","90","","90","","1704.34","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[2-(2-Oxo-1,3-oxazolidin-3-yl)ethyl]-4-phenyl-1<i>H</i>- 1,5-benzodiazepin-2(3<i>H</i>)-one","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","ZS2052","Ballo, Daouda; Ahabchane, Noureddine Hamou; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng","1-[2-(2-Oxo-1,3-oxazolidin-3-yl)ethyl]-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2010","66","8","o2080","","10.1107/S160053681002828X","","","0.71073","MoKα","","0.0535","0.0362","","","0.0919","0.1023","","","","","","0.895","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227168","8.3041","0.0003","12.181","0.0004","29.6787","0.0011","90","","90","","90","","3002.07","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl 3,3'-diphenyl-2,2'-[(<i>S</i>)-thiophene-2,5- diylbis(carbonylazanediyl)]dipropanoate tetrahydrofuran monosolvate","","- C30 H34 N2 O7 S -","- C30 H34 N2 O7 S -","- C120 H136 N8 O28 S4 -","4","1","BH2306","Xia, GuangMing; Liu, Jing; Li, Zhen; Ji, MuWei; Sun, GuoXin","Dimethyl 3,3'-diphenyl-2,2'-[(<i>S</i>)-thiophene-2,5-diylbis(carbonylazanediyl)]dipropanoate tetrahydrofuran monosolvate","Acta Crystallographica Section E","2010","66","10","o2489","","10.1107/S1600536810034410","","","0.71073","MoKα","","0.085","0.0466","","","0.0857","0.0939","","","","","","0.906","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227180","7.5641","0.0007","12.5889","0.0013","13.0643","0.0014","90","","90","","90","","1244","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(<i>E</i>)-(2,3-Dimethylphenyl)iminomethyl]phenol","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","BQ2232","Tahir, M. Nawaz; Tariq, Muhammad Ilyas; Ahmad, Shahbaz; Sarfraz, Muhammad; Tariq, Riaz H.","2-[(<i>E</i>)-(2,3-Dimethylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2010","66","9","o2439","","10.1107/S1600536810033398","","","0.71073","MoKα","","0.1634","0.0777","","","0.1296","0.1571","","","","","","1.112","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227182","15.3515","0.0009","15.9294","0.001","16.5197","0.001","90","","90","","90","","4039.7","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chlorido{<i>N</i>^2^,<i>N</i>^6^-dibenzyl-<i>N</i>^2^,<i>N</i>^6^-\ bis[(diphenylphosphanyl)methyl]pyridine-2,6-diamine}methylplatinum(II)","","- C46 H44 Cl N3 P2 Pt -","- C46 H44 Cl N3 P2 Pt -","- C184 H176 Cl4 N12 P8 Pt4 -","4","1","BQ2234","Wang, Zi-Jia; Wang, Xiao-Xi; Wan, Chong-Qing","Chlorido{<i>N</i>^2^,<i>N</i>^6^-dibenzyl-<i>N</i>^2^,<i>N</i>^6^-bis[(diphenylphosphanyl)methyl]pyridine-2,6-diamine}methylplatinum(II)","Acta Crystallographica Section E","2010","66","10","m1341","m1342","10.1107/S1600536810038134","","","0.71073","MoKα","","0.0289","0.0235","","","0.0485","0.05","","","","","","0.968","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227184","7.11","0.0019","12.115","0.003","19.884","0.006","90","","90","","90","","1712.8","0.8","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzoyl-3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine","","- C21 H16 N4 O -","- C21 H16 N4 O -","- C84 H64 N16 O4 -","4","1","BQ2236","Xu, Feng; Yang, Zhen-Zhen; Chen, Xiao-Fang; Zheng, Wen-Xiu","1-Benzoyl-3,6-diphenyl-1,4-dihydro-1,2,4,5-tetrazine","Acta Crystallographica Section E","2010","66","10","o2664","","10.1107/S1600536810038067","","","0.71073","MoKα","","0.0366","0.0334","","","0.0827","0.0845","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227203","7.7902","0.0004","14.6791","0.0007","21.741","0.0011","90","","90","","90","","2486.2","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","{2-[(2-Carbamothiolylhydrazin-1-ylidene-κ^2^<i>N</i>^1^,<i>S</i>)methyl]-6- hydroxyphenolato-κ<i>O</i>^1^}(triphenylphosphine-κ<i>P</i>)nickel(II) chloride","","- C26 H23 Cl N3 Ni O2 P S -","- C26 H23 Cl N3 Ni O2 P S -","- C104 H92 Cl4 N12 Ni4 O8 P4 S4 -","4","1","BT5315","Shawish, Hana Bashir; Tan, Kong Wai; Maah, M. Jamil; Ng, Seik Weng","{2-[(2-Carbamothiolylhydrazin-1-ylidene-κ^2^<i>N</i>^1^,<i>S</i>)methyl]-6-hydroxyphenolato-κ<i>O</i>^1^}(triphenylphosphine-κ<i>P</i>)nickel(II) chloride","Acta Crystallographica Section E","2010","66","9","m1074","","10.1107/S1600536810031065","","","0.71073","MoKα","","0.022","0.0208","","","0.0532","0.0538","","","","","","1.016","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227221","7.2077","0.0005","20.8363","0.0015","30.464","0.002","90","","90","","90","","4575.1","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cabraleahydroxylactone","","- C27 H44 O3 -","- C27 H44 O3 -","- C216 H352 O24 -","8","2","BT5334","Loong, Xe Min; Mohamad, Khalit; Awang, Khalijah; A. Hadi, A. Hamid; Ng, Seik Weng","Cabraleahydroxylactone from the leaves of <i>Aglaia exima</i>","Acta Crystallographica Section E","2010","66","10","o2541","","10.1107/S1600536810035208","","","0.71073","MoKα","","0.063","0.0465","","","0.1119","0.1214","","","","","","1.066","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227232","7.631","0.0004","16.7922","0.0009","22.3822","0.0013","90","","90","","90","","2868.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-Methyl 3β-acetoxy-13-carboxy-19-hydroxy-11-oxo-<i>C</i>-norolean-18-en-30-oate γ-lactone","","- C33 H46 O7 -","- C33 H46 O7 -","- C132 H184 O28 -","4","1","BT5349","Gaware, Rawindra; Czollner, Laszlo; Jordis, Ulrich; Mereiter, Kurt","(+)-Methyl 3β-acetoxy-13-carboxy-19-hydroxy-11-oxo-<i>C</i>-norolean-18-en-30-oate γ-lactone","Acta Crystallographica Section E","2010","66","10","o2597","o2598","10.1107/S1600536810036901","","","0.71073","MoKα","","0.0303","0.0296","","","0.0795","0.0804","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227242","7.5388","0.0009","12.2452","0.0011","14.244","0.0016","90","","90","","90","","1314.9","0.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Bromo-4-chloro-6-[(<i>E</i>)-<i>o</i>-tolyliminomethyl]phenol","","- C14 H11 Br Cl N O -","- C14 H11 Br Cl N O -","- C56 H44 Br4 Cl4 N4 O4 -","4","1","BT5360","Guo, Jin-Bao","2-Bromo-4-chloro-6-[(<i>E</i>)-<i>o</i>-tolyliminomethyl]phenol","Acta Crystallographica Section E","2010","66","10","o2689","","10.1107/S1600536810037931","","","0.71073","MoKα","","0.0473","0.0316","","","0.0545","0.0569","","","","","","1.09","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227264","7.9407","0.0004","11.6754","0.0008","13.196","0.0006","90","","90","","90","","1223.41","0.12","296","","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(2-Bromophenyl)iminomethyl]-6-methylphenol","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C56 H48 Br4 N4 O4 -","4","1","BT5384","Karadağ, Aslı Tosyalı; Atalay, Şehriman; Genç, Hasan","2-[(2-Bromophenyl)iminomethyl]-6-methylphenol","Acta Crystallographica Section E","2010","66","11","o2977","","10.1107/S1600536810043072","","","0.71073","MoKα","","0.046","0.0353","","","0.0757","0.0802","","","","","","1.072","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227266","5.7451","0.0007","7.1746","0.0009","35.708","0.005","90","","90","","90","","1471.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","[1<i>R</i>-(1α,2α,4α,5β,6α,7α)]-4-Benzoyloxymethyl-5,6-dihydroxy- 3,8-dioxatricyclo[5.1.0.0^2,4^]octan-5-yl acetate","","- C16 H16 O7 -","- C16 H16 O7 -","- C64 H64 O28 -","4","1","BT5386","Sirat, Hasnah Mohd; Feng, Yau Sui; Awang, Khalijah; Ng, Seik Weng","[1<i>R</i>-(1α,2α,4α,5β,6α,7α)]-4-Benzoyloxymethyl-5,6-dihydroxy-3,8-dioxatricyclo[5.1.0.0^2,4^]octan-5-yl acetate (3-deacetylcrotepoxide) from <i>Kaempferia rotunda</i> Val.","Acta Crystallographica Section E","2010","66","11","o2945","","10.1107/S1600536810042686","","","0.71073","MoKα","","0.0502","0.0381","","","0.0967","0.1174","","","","","","1.12","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227269","9.2108","0.0004","15.5383","0.0006","22.927","0.0009","90","","90","","90","","3281.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β-Acetoxy-lup-20(29)-en-28-yl 1<i>H</i>-1,2,4-triazole-1-carboxylate","","- C35 H53 N3 O4 -","- C35 H53 N3 O4 -","- C140 H212 N12 O16 -","4","1","BT5389","Santos, R.C.; Matos Beja, A.; Salvador, J. A. R.; Paixão, J. A.","3β-Acetoxy-lup-20(29)-en-28-yl 1<i>H</i>-1,2,4-triazole-1-carboxylate","Acta Crystallographica Section E","2010","66","11","o3041","","10.1107/S1600536810043515","","","0.71073","MoKα","","0.0742","0.0472","","","0.1191","0.1367","","","","","","1.015","","","","has coordinates,has Fobs","209312","2020-10-21","18:00:00",""
"2227283","5.6174","0.0003","13.0946","0.0008","25.2021","0.0015","90","","90","","90","","1853.81","0.19","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,3;5,6-Di-<i>O</i>-isopropylidene-1-<i>O</i>-(2-phenylacetyl)- α-<i>D</i>-mannofuranose","","- C20 H26 O7 -","- C20 H26 O7 -","- C80 H104 O28 -","4","1","BV2157","Sacui, Iulia A.; Norris, Peter; Zeller, Matthias","2,3;5,6-Di-<i>O</i>-isopropylidene-1-<i>O</i>-(2-phenylacetyl)-α-<small>D</small>-mannofuranose","Acta Crystallographica Section E","2010","66","9","o2341","","10.1107/S1600536810032368","","","0.71073","MoKα","","0.0508","0.0505","","","0.1171","0.1173","","","","","","1.331","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227284","4.3808","0.0003","9.8207","0.0007","25.778","0.0017","90","","90","","90","","1109.03","0.13","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(<i>Z</i>)-4-methoxybenzylidene](methoxycarbonyl)methanamine oxide","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C44 H52 N4 O16 -","4","1","BV2158","Keleşoğlu, Zeynep; Gültekin, Zeynep; Büyükgüngör, Orhan","<i>N</i>-[(<i>Z</i>)-4-Methoxybenzylidene](methoxycarbonyl)methanamine oxide","Acta Crystallographica Section E","2010","66","9","o2332","o2333","10.1107/S1600536810032289","","","0.71073","MoKα","","0.05","0.0337","","","0.0771","0.0823","","","","","","0.958","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227311","6.5069","0.0002","16.0351","0.0008","23.9713","0.0011","90","","90","","90","","2501.14","0.19","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1'<i>R</i>,5'a<i>S</i>,7'<i>R</i>,8'a<i>S</i>,9'a<i>R</i>)-2',3',8'a,9'- tetrahydro-1'-hydroxy-1',4,4,8',8',11'-hexamethyl-14- deoxyspiro[4<i>H</i>,8<i>H</i>-1,4-dioxepino[2,3-<i>g</i>]indole- 8,7'(8'<i>H</i>)-[5<i>H</i>,6<i>H</i>- 5a,9a](iminomethano)[1<i>H</i>]cyclopent[<i>f</i>]indolizine]- 9,10'(10<i>H</i>)-dione","Paraherquamide E","","- C28 H35 N3 O4 -","- C28 H35 N3 O4 -","- C112 H140 N12 O16 -","4","1","CI5149","Aree, Thammarat; Antia, Bassey S.; Ekpa, Okon D.; Kittakoop, Prasat","Paraherquamide E","Acta Crystallographica Section E","2010","66","9","o2227","","10.1107/S1600536810030795","","","0.71073","MoKα","","0.1059","0.0486","","","0.0842","0.1022","","","","","","0.98","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227315","3.8096","0.0001","15.6046","0.0003","20.937","0.0003","90","","90","","90","","1244.65","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Amino-5-chloropyridinium 6-oxo-1,6-dihydropyridine-2-carboxylate 0.85-hydrate","","- C11 H11.7 Cl N3 O3.85 -","- C11 H11.7 Cl N3 O3.85 -","- C44 H46.8 Cl4 N12 O15.4 -","4","1","CI5153","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-5-chloropyridinium 6-oxo-1,6-dihydropyridine-2-carboxylate 0.85-hydrate","Acta Crystallographica Section E","2010","66","9","o2338","","10.1107/S1600536810032307","","","0.71073","MoKα","","0.047","0.0363","","","0.0975","0.1128","","","","","","1.095","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2227334","7.69","0.0015","11.701","0.002","14.471","0.003","90","","90","","90","","1302.1","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-(4-Hydroxybenzylidene)-2-methylbenzohydrazide","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","CI5176","Tang, Chun-Bao","<i>N</i>'-(4-Hydroxybenzylidene)-2-methylbenzohydrazide","Acta Crystallographica Section E","2010","66","10","o2482","","10.1107/S1600536810035063","","","0.71073","MoKα","","0.0396","0.0363","","","0.0975","0.1007","","","","","","1.118","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227336","5.1867","0.0009","9.7417","0.0016","29.154","0.005","90","","90","","90","","1473.1","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-Ethyl 2-(3-cinnamoylthioureido)acetate","","- C14 H16 N2 O3 S -","- C14 H16 N2 O3 S -","- C56 H64 N8 O12 S4 -","4","1","CI5178","Hassan, Ibrahim N.; Yamin, Bohari M.; Kassim, Mohammad B.","(<i>E</i>)-Ethyl 2-(3-cinnamoylthioureido)acetate","Acta Crystallographica Section E","2010","66","11","o2784","","10.1107/S1600536810037918","","","0.71073","MoKα","","0.0844","0.063","","","0.1516","0.1635","","","","","","1.029","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227340","4.2208","0.0001","7.5459","0.0003","25.0802","0.0008","90","","90","","90","","798.8","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4<i>S</i>,5<i>S</i>,6<i>S</i>)-4-Hydroxy-3-methoxy-5-methyl-5,6- epoxycyclohex-2-en-1-one","","- C8 H10 O4 -","- C8 H10 O4 -","- C32 H40 O16 -","4","1","CV2746","Tansuwan, Srinuan; Chanaprat, Porntana; Teerawatananond, Thapong; Muangsin, Nongnuj; Pornpakakul, Surachai","(4<i>S</i>,5<i>S</i>,6<i>S</i>)-4-Hydroxy-3-methoxy-5-methyl-5,6-epoxycyclohex-2-en-1-one","Acta Crystallographica Section E","2010","66","9","o2263","","10.1107/S1600536810030850","","","0.71073","MoKα","","","0.0406","","","","0.1163","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227354","7.7318","0.0008","11.0653","0.0012","19.725","0.002","90","","90","","90","","1687.6","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-(2-Hydroxy-1,2-diphenylethylidene)benzohydrazide","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","CV2764","Song, Ming-zhi","<i>N</i>'-(2-Hydroxy-1,2-diphenylethylidene)benzohydrazide","Acta Crystallographica Section E","2010","66","10","o2692","","10.1107/S1600536810038365","","","0.71073","MoKα","","0.0973","0.0399","","","0.0738","0.0969","","","","","","1.071","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227375","6.175","0.003","8.276","0.003","24.408","0.009","90","","90","","90","","1247.4","0.9","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Phenylpiperazin-1-ium dihydrogen phosphate","","- C10 H17 N2 O4 P -","- C10 H17 N2 O4 P -","- C40 H68 N8 O16 P4 -","4","1","DN2592","Essid, Manel; Marouani, Houda; Rzaigui, Mohamed; Al-Deyab, Salem S.","4-Phenylpiperazin-1-ium dihydrogen phosphate","Acta Crystallographica Section E","2010","66","9","o2244","o2245","10.1107/S1600536810030813","","","0.56083","Agkα","","0.1481","0.0563","","","0.1016","0.1266","","","","","","0.943","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227394","6.2876","0.0002","12.2267","0.0003","16.2664","0.0005","90","","90","","90","","1250.51","0.06","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(4-Chlorobenzyl)iminomethyl]phenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","DS2046","Phurat, Chuttree; Teerawatananond, Thapong; Muangsin, Nongnuj","2-[(4-Chlorobenzyl)iminomethyl]phenol","Acta Crystallographica Section E","2010","66","9","o2310","","10.1107/S1600536810031508","","","0.71073","MoKα","","","0.0382","","","","0.1065","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227401","4.0212","0.0013","7.187","0.002","23.095","0.007","90","","90","","90","","667.5","0.3","270","2","270","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Quinoxaline","Quinoxaline","","- C8 H6 N2 -","- C8 H6 N2 -","- C32 H24 N8 -","4","1","DS2061","Ranganathan, Sathishkumar; Mahapatra, Sudarshan; Thakur, Tejender S.; Desiraju, Gautam R.","Quinoxaline: <i>Z</i>' = 1 form","Acta Crystallographica Section E","2010","66","11","o2789","","10.1107/S1600536810039905","","","0.71073","MoKα","","0.077","0.0377","","","0.094","0.106","","","","","","0.904","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227403","7.4356","0.0017","8.3124","0.0018","24.108","0.006","90","","90","","90","","1490.1","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>S</i>,4<i>R</i>)-3,3-Dichloro-4,8,12,12- tetramethyltricyclo[5.5.0.0^2,4^]dodeca-6,8-diene","","- C16 H22 Cl2 -","- C16 H22 Cl2 -","- C64 H88 Cl8 -","4","1","ER2079","Benharref, Ahmed; El Ammari, Lahcen; Berraho, Moha; Lassaba, Esaadia","(1<i>S</i>,2<i>S</i>,4<i>R</i>)-3,3-Dichloro-4,8,12,12-tetramethyltricyclo[5.5.0.0^2,4^]dodeca-6,8-diene","Acta Crystallographica Section E","2010","66","9","o2463","","10.1107/S1600536810034070","","","0.71073","MoKα","","0.0397","0.0315","","","0.0837","0.0955","","","","","","1.11","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227417","10.4028","0.0008","12.3281","0.0011","13.2214","0.001","90","","90","","90","","1695.6","0.2","100","0.1","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chlorido[tris(3-fluorophenyl)phosphine]gold(I)","","- C18 H12 Au Cl F3 P -","- C18 H12 Au Cl F3 P -","- C72 H48 Au4 Cl4 F12 P4 -","4","1","FJ2329","bin Shawkataly, Omar; Tariq, Abu; Ghani, Syed Sauban; Yeap, Chin Sing; Fun, Hoong-Kun","Chlorido[tris(3-fluorophenyl)phosphine]gold(I)","Acta Crystallographica Section E","2010","66","10","m1217","m1218","10.1107/S1600536810034896","","","0.71073","MoKα","","0.031","0.0253","","","0.0679","0.0839","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2227422","8.3776","0.0011","8.9269","0.0011","17.369","0.002","90","","90","","90","","1299","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2,2'-Iminodiethanolato(2-)-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'][4- (methoxycarbonylmethyl)phenyl]boron","","- C13 H18 B N O4 -","- C13 H18 B N O4 -","- C52 H72 B4 N4 O16 -","4","1","FJ2337","Zein, Ahmed L.; Dawe, Louise N.; Georghiou, Paris E.","[2,2'-Iminodiethanolato(2{-})-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'][4-(methoxycarbonylmethyl)phenyl]boron","Acta Crystallographica Section E","2010","66","10","o2646","","10.1107/S1600536810037864","","","0.71075","MoKα","","0.044","0.0434","","","0.112","0.1123","","","","","","1.172","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227431","7.9633","0.0003","10.7166","0.0004","20.8338","0.0007","90","","90","","90","","1777.95","0.11","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Tagalsin S","<i>ent</i>-5α,3,15-Dioxodolabr-4(18)-ene-16,18-diol","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","FJ2353","Fun, Hoong-Kun; Pakathirathien, Charoen; Karalai, Chatchanok; Chantrapromma, Suchada","<i>ent</i>-5α,3,15-Dioxodolabr-4(18)-ene-16,18-diol","Acta Crystallographica Section E","2010","66","11","o2897","o2898","10.1107/S1600536810042078","","","0.71073","MoKα","","0.0769","0.0519","","","0.1365","0.1574","","","","","","1.089","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227444","7.614","0.0015","9.587","0.0019","16.628","0.003","90","","90","","90","","1213.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-4-(Oxiran-2-ylmethoxy)-9<i>H</i>-carbazole","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","FL2309","Lu, Ding-Qiang; Chen, Jia; Wu, Wen-Yuan; Ling, Xiu-Quan; Chang, Ya-Jun","(<i>S</i>)-(+)-4-(Oxiran-2-ylmethoxy)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2010","66","11","o2785","","10.1107/S1600536810038900","","","0.71073","MoKα","","0.0907","0.0583","","","0.1097","0.1241","","","","","","1.051","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227455","4.9668","0.001","12.305","0.003","22.552","0.005","90","","90","","90","","1378.3","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","FL2321","Sirat, Hasnah Mohd; Jani, Nor Akmalazura; Hazni, Hazrina; Awang, Khalijah; Ng, Seik Weng","Flavokavain B from the rhizome of <i>Alpinia mutica</i> Roxb","Acta Crystallographica Section E","2010","66","11","o2866","","10.1107/S1600536810041395","","","0.71073","MoKα","","0.069","0.0488","","","0.1163","0.1279","","","","","","1.089","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227467","10.623","0.0005","14.7773","0.0006","18.2819","0.0008","90","","90","","90","","2869.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>'-[(8-<i>endo</i>,11-<i>endo</i>- Dihydroxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11- diyl)bis(methylenecarbonyl)]di-L-phenylalanine","","- C33 H36 N2 O8 -","- C33 H36 N2 O8 -","- C132 H144 N8 O32 -","4","1","GW2085","Karpoormath, Rajshekhar; Govender, Patrick; Kruger, Hendrik G.; Govender, Thavendran; Maguire, Glenn E. M.","<i>N</i>,<i>N</i>'-[(8-<i>endo</i>,11-<i>endo</i>-Dihydroxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-diyl)bis(methylenecarbonyl)]di-<small>L</small>-phenylalanine","Acta Crystallographica Section E","2010","66","10","o2537","o2538","10.1107/S1600536810035956","","","1.54199","CuKα","","0.0327","0.0323","","","0.0847","0.085","","","","","","1.062","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227495","3.8497","0.0002","9.9559","0.0004","19.9639","0.0013","90","","90","","90","","765.16","0.07","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Quinoline-2-carbonitrile","","- C10 H6 N2 -","- C10 H6 N2 -","- C40 H24 N8 -","4","1","HB5597","Loh, Wan-Sin; Quah, Ching Kheng; Hemamalini, Madhukar; Fun, Hoong-Kun","Quinoline-2-carbonitrile","Acta Crystallographica Section E","2010","66","9","o2396","","10.1107/S1600536810033118","","","0.71073","MoKα","","0.0759","0.0557","","","0.1309","0.1406","","","","","","1.091","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227534","5.413","0.0002","8.5082","0.0002","32.6501","0.0004","90","","90","","90","","1503.7","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,4<i>R</i>,5<i>R</i>)-5-(Acetamidomethyl)-<i>N</i>-benzyl-3,4-\ dihydroxytetrahydrofuran-3-carboxamide","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","1","HB5639","Simone, Michela I.; Edwards, Alison A.; Cowley, Andrew R.; Fleet, George W. J.; Watkin, David J.","(3<i>R</i>,4<i>R</i>,5<i>R</i>)-5-(Acetamidomethyl)-<i>N</i>-benzyl-3,4-dihydroxytetrahydrofuran-3-carboxamide","Acta Crystallographica Section E","2010","66","11","o2750","o2751","10.1107/S1600536810039589","","","1.5418","CuKα","","0.047","0.0329","","0.0614","0.0601","0.0614","","","","","","0.9939","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227536","18.1023","0.0016","19.5538","0.0019","22.956","0.002","90","","90","","90","","8125.7","1.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Aquadipyridinebis(<i>N</i>-<i>p</i>-tolysulfonyl-L-leucinato)nickel(II)","","- C36 H48 N4 Ni O9 S2 -","- C36 H48 N4 Ni O9 S2 -","- C288 H384 N32 Ni8 O72 S16 -","8","2","HB5641","Tai, Xi-Shi","Aquadipyridinebis(<i>N</i>-<i>p</i>-tolysulfonyl-<small>L</small>-leucinato)nickel(II)","Acta Crystallographica Section E","2010","66","11","m1346","","10.1107/S1600536810038493","","","0.71073","MoKα","","0.1432","0.0683","","","0.1769","0.2415","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227547","4.4027","0.0009","13.8","0.003","14.3","0.003","90","","90","","90","","868.8","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-3,5-Dimethoxybenzaldehyde oxime","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","HB5656","Dong, Bin; Zhang, Yu; Chen, Jin-Zhe","(<i>E</i>)-3,5-Dimethoxybenzaldehyde oxime","Acta Crystallographica Section E","2010","66","11","o2719","","10.1107/S1600536810038766","","","0.71073","MoKα","","0.0338","0.0303","","","0.0789","0.0811","","","","","","1.081","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227561","9.9696","0.0006","12.5858","0.0008","13.3968","0.0008","90","","90","","90","","1680.97","0.18","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17β-Hydroxy-17α-(hydroxymethyl)estr-4-en-3-one","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","HB5675","Yousuf, Sammer; Zafar, Salman; Choudhary, Muhammed Iqbal; Ng, Seik Weng","17β-Hydroxy-17α-(hydroxymethyl)estr-4-en-3-one","Acta Crystallographica Section E","2010","66","11","o2894","","10.1107/S160053681004033X","","","0.71073","MoKα","","0.0611","0.0471","","","0.1088","0.1192","","","","","","1.109","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227573","6.2767","0.0002","11.7358","0.0004","23.7496","0.0007","90","","90","","90","","1749.45","0.1","100","0.1","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6α-Hydroxy-5,6-dihydrosalviasperanol","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","HB5689","Asik, Safra Izuani Jama; Razak, Ibrahim Abdul; Salae, Abdul Wahab; Chantrapromma, Suchada; Fun, Hoong-Kun","6α-Hydroxy-5,6-dihydrosalviasperanol","Acta Crystallographica Section E","2010","66","11","o2899","","10.1107/S160053681004208X","","","0.71073","MoKα","","0.0542","0.0407","","","0.0995","0.1069","","","","","","1.145","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227583","4.4564","0.0002","8.3515","0.0003","27.7153","0.0014","90","","90","","90","","1031.5","0.08","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","5-Bromo-2-hydroxybenzaldehyde thiosemicarbazone","","- C8 H8 Br N3 O S -","- C8 H8 Br N3 O S -","- C32 H32 Br4 N12 O4 S4 -","4","1","HB5704","Kargar, Hadi; Kia, Reza; Akkurt, Mehmet; Büyükgüngör, Orhan","5-Bromo-2-hydroxybenzaldehyde thiosemicarbazone","Acta Crystallographica Section E","2010","66","11","o2999","","10.1107/S1600536810043357","","","0.71073","MoKα","","0.0346","0.0298","","","0.0617","0.0634","","","","","","1.036","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227608","9.404","0.002","12.526","0.003","19.693","0.005","90","","90","","90","","2319.7","0.9","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>,4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-Cyclopropylmethyl- 4a,9-dihydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1<i>H</i>-4,12- methano-1-benzofuro[3,2-<i>e</i>]isoquinolin-3-ium 2,2,2-trifluoroacetate methanol solvate","","- C24 H30 F3 N O7 -","- C24 H30 F3 N O7 -","- C96 H120 F12 N4 O28 -","4","1","HG2721","Cai, Xu; Zhou, Xinbo; Zheng, Zhibing; Zhong, Wu; Li, Song","(3<i>S</i>,4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-Cyclopropylmethyl-4a,9-dihydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1<i>H</i>-4,12-methano-1-benzofuro[3,2-<i>e</i>]isoquinolin-3-ium 2,2,2-trifluoroacetate methanol solvate","Acta Crystallographica Section E","2010","66","11","o2868","","10.1107/S1600536810041164","","","0.71073","MoKα","","0.0336","0.0321","","","0.078","0.0789","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2227617","5.4584","0.0002","14.0623","0.0006","19.4545","0.0008","90","","90","","90","","1493.28","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-(2,5-Dichlorobenzenesulfonamido)-3-methylbutanoic acid","","- C11 H13 Cl2 N O4 S -","- C11 H13 Cl2 N O4 S -","- C44 H52 Cl8 N4 O16 S4 -","4","1","HG2730","Khan, Islam Ullah; John, Peter; Iqbal, Haffsah; Sharif, Shahzad; Tiekink, Edward R. T.","2-(2,5-Dichlorobenzenesulfonamido)-3-methylbutanoic acid","Acta Crystallographica Section E","2010","66","11","o2888","","10.1107/S1600536810041620","","","0.71073","MoKα","","0.052","0.041","","","0.116","0.127","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227646","9.3946","0.0002","13.6156","0.0004","14.4126","0.0003","90","","90","","90","","1843.56","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>tert</i>-Butylimido)bis(η^5^-cyclopentadienyl)pyridinezirconium(IV)","","- C19 H24 N2 Zr -","- C19 H24 N2 Zr -","- C76 H96 N8 Zr4 -","4","1","IM2220","Kaleta, Katharina; Arndt, Perdita; Spannenberg, Anke; Rosenthal, Uwe","(<i>tert</i>-Butylimido)bis(η^5^-cyclopentadienyl)pyridinezirconium(IV)","Acta Crystallographica Section E","2010","66","9","m1180","","10.1107/S1600536810033556","","","0.71073","MoKα","","0.0245","0.0226","","","0.0586","0.0591","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2227654","5.188","0.0003","7.348","0.0005","18.7169","0.0012","90","","90","","90","","713.51","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Fluoro-L-histidine","","- C6 H8 F N3 O2 -","- C6 H8 F N3 O2 -","- C24 H32 F4 N12 O8 -","4","1","IM2231","Andra, Kiran K.; Bullinger, John C.; Bann, James G.; Eichhorn, David M.","2-Fluoro-<small>L</small>-histidine","Acta Crystallographica Section E","2010","66","11","o2713","","10.1107/S1600536810038663","","","0.71073","MoKα","","0.0473","0.0433","","","0.1216","0.1251","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227664","3.8616","0.0001","15.8227","0.0002","20.8961","0.0003","90","","90","","90","","1276.77","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Amino-5-bromopyridinium 6-oxo-1,6-dihydropyridine-2-carboxylate monohydrate","","- C11 H12 Br N3 O4 -","- C11 H12 Br N3 O4 -","- C44 H48 Br4 N12 O16 -","4","1","IS2585","Hemamalini, Madhukar; Fun, Hoong-Kun","2-Amino-5-bromopyridinium 6-oxo-1,6-dihydropyridine-2-carboxylate monohydrate","Acta Crystallographica Section E","2010","66","9","o2246","o2247","10.1107/S1600536810030916","","","0.71073","MoKα","","0.0423","0.0314","","","0.075","0.0971","","","","","","1.089","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227726","11.5089","0.0011","16.6194","0.0016","18.9934","0.0019","90","","90","","90","","3632.9","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{3-Methyl-2-[(1-oxido-2-naphthyl)methylideneamino- κ^2^<i>O</i>,<i>N</i>]butanoato-κ<i>O</i>}(1<i>H</i>-pyrazole- κ<i>N</i>^2^)nickel(II)","","- C19 H19 N3 Ni O3 -","- C19 H19 N3 Ni O3 -","- C152 H152 N24 Ni8 O24 -","8","2","JJ2044","Peng, Qin-Long; Zhao, Gan-Qing; Chen, Li-Hua; Xue, Ling-Wei","{3-Methyl-2-[(1-oxido-2-naphthyl)methylideneamino-κ^2^<i>O</i>,<i>N</i>]butanoato-κ<i>O</i>}(1<i>H</i>-pyrazole-κ<i>N</i>^2^)nickel(II)","Acta Crystallographica Section E","2010","66","9","m1127","m1128","10.1107/S1600536810032472","","","0.71073","MoKα","","0.0649","0.0438","","","0.0953","0.1076","","","","","","1.018","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227750","7.8683","0.0016","11.036","0.002","24.726","0.005","90","","90","","90","","2147.1","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-{[1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a- dodecahydrophenanthren-1-yl]carbonyl}morpholine","","- C24 H39 N O2 -","- C24 H39 N O2 -","- C96 H156 N4 O8 -","4","1","KP2277","Rao, Xiao-Ping","<i>N</i>-Morpholino-Δ^8^-dihydroabietamide","Acta Crystallographica Section E","2010","66","11","o2725","","10.1107/S1600536810039073","","","0.71073","MoKα","","0.0448","0.038","","","0.1046","0.1167","","","","","","1.374","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227752","4.1664","0.0005","10.4621","0.0011","25.518","0.004","90","","90","","90","","1112.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena<i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)]- μ~2~-iodido]","","- C12 H8 Cu I N2 -","- C12 H8 Cu I N2 -","- C48 H32 Cu4 I4 N8 -","4","1","KP2280","Yang, Yisheng; Chai, Wenxiang; Song, Li; Shu, Kangying","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I)]-μ~2~-iodido]","Acta Crystallographica Section E","2010","66","11","m1486","","10.1107/S1600536810043205","","","0.71075","MoKα","","0.0311","0.0277","","","0.0541","0.0558","","","","","","1.123","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227806","8.5358","0.0008","13.3148","0.0012","20.6996","0.0019","90","","90","","90","","2352.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)(2-phenylpropanedioato- κ^2^<i>O</i>^1^,<i>O</i>^3^)nickel(II)","","- C21 H22 N8 Ni O4 -","- C21 H22 N8 Ni O4 -","- C84 H88 N32 Ni4 O16 -","4","1","LH5153","Zhang, Kou-Lin; Diao, Guo-Wang; Ng, Seik Weng","Tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)(2-phenylpropanedioato-κ^2^<i>O</i>^1^,<i>O</i>^3^)nickel(II)","Acta Crystallographica Section E","2010","66","11","m1430","","10.1107/S1600536810041577","","","0.71073","MoKα","","0.0723","0.0408","","","0.0771","0.0863","","","","","","0.981","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227816","6.8547","0.0002","8.3205","0.0002","27.1509","0.0006","90","","90","","90","","1548.54","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-1-(3-Bromophenyl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one","","- C17 H14 Br N O5 -","- C17 H14 Br N O5 -","- C68 H56 Br4 N4 O20 -","4","1","LX2178","Jasinski, Jerry P.; Butcher, Ray J.; Chidan Kumar, C. S.; Yathirajan, H. S.; Mayekar, A. N.","(2<i>E</i>)-1-(3-Bromophenyl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","11","o2936","o2937","10.1107/S1600536810041292","","","1.54178","CuKα","","0.0327","0.0322","","","0.0858","0.0863","","","","","","1.071","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227826","8.2915","0.0015","11.344","0.002","20.288","0.004","90","","90","","90","","1908.3","0.6","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 7-oxo-12-propylamino-13-nitrodeisopropyldehydroabietate","methyl 1,4a-dimethyl-7-nitro-9-oxo-6-propylamino- 1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate","","- C21 H28 N2 O5 -","- C21 H28 N2 O5 -","- C84 H112 N8 O20 -","4","1","NG5010","Wang, Kai; Zhang, Ye; Yi, Xiang-Hui; Zhang, Yong; Pan, Ying-Ming","Methyl 7-oxo-12-propylamino-13-nitrodeisopropyldehydroabietate","Acta Crystallographica Section E","2010","66","10","o2604","","10.1107/S1600536810032824","","","0.71075","MoKα","","0.0708","0.0614","","","0.1177","0.1215","","","","","","1.193","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2227839","12.457","0.002","15.689","0.003","15.771","0.003","90","","90","","90","","3082.3","1","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","hypaconitine","8β-Acetoxy-14α-benzoyloxy-<i>N</i>-methyl-13β,15α-dihydroxy- 1α,6α,16β-trimethoxy-4β-(methoxymethyl)aconitane","","- C33 H45 N O10 -","- C33 H45 N O10 -","- C132 H180 N4 O40 -","4","1","NG5034","Zheng, Ling-Li; Li, Yan; Zi, Tie-Ying; Yuan, Ming-Yong","8β-Acetoxy-14α-benzoyloxy-<i>N</i>-methyl-13β,15α-dihydroxy-1α,6α,16β-trimethoxy-4β-(methoxymethyl)aconitane: hypaconitine isolated from `fuzi'","Acta Crystallographica Section E","2010","66","11","o2787","o2788","10.1107/S1600536810039887","","","0.71073","MoKα","","0.0387","0.0353","","","0.0816","0.0834","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2227876","6.2047","0.0007","8.2668","0.0009","28.79","0.003","90","","90","","90","","1476.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anilinium 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","OM2374","Zhu, Li-Cai","Anilinium 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","Acta Crystallographica Section E","2010","66","11","o3008","","10.1107/S1600536810043412","","","0.71073","MoKα","","0.0413","0.0317","","","0.0738","0.0788","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227878","5.9179","0.0012","13.917","0.003","20.405","0.004","90","","90","","90","","1680.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Diphenylphosphoryl)(2-nitrophenyl)methanol","","- C19 H16 N O4 P -","- C19 H16 N O4 P -","- C76 H64 N4 O16 P4 -","4","1","PB2037","Yuan, Xiao-Ling; Liu, Wan-Yun; Huo, Ping; Mei, Guang-Quan","(Diphenylphosphoryl)(2-nitrophenyl)methanol","Acta Crystallographica Section E","2010","66","9","o2331","","10.1107/S160053681003196X","","","0.71073","MoKα","","0.032","0.029","","","0.077","0.078","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227919","9.1343","0.0008","11.8752","0.001","15.5255","0.0013","90","","90","","90","","1684.1","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7-[2-(3-Furyl)ethyl]-7,8-dimethyl-3,5,6,6a,7,8,9,10-octahydro-1<i>H</i>- naphtho[1,8a-<i>c</i>]furan-3-one","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","PV2325","Mohammad, Akhtar; Shah, Muhammad Raza; Anis, Itrat; McKee, Vickie; Frese, Josef W. A.","7-[2-(3-Furyl)ethyl]-7,8-dimethyl-3,5,6,6a,7,8,9,10-octahydro-1<i>H</i>-naphtho[1,8a-<i>c</i>]furan-3-one","Acta Crystallographica Section E","2010","66","10","o2529","","10.1107/S1600536810035373","","","0.71073","MoKα","","0.041","0.0352","","","0.09","0.0939","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227921","4.416","0.003","10.29","0.006","20.769","0.012","90","","90","","90","","943.8","1","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C32 H44 N12 O16 -","4","1","PV2327","Wang, Hong-Yong; Zou, Pei; Xie, Min-Hao; He, Yong-Jun; Wu, Jun","Ethyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate","Acta Crystallographica Section E","2010","66","10","o2606","","10.1107/S1600536810037098","","","0.71073","MoKα","","0.0378","0.0331","","","0.0788","0.0815","","","","","","1.003","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227945","10.5433","0.0005","11.4203","0.0006","24.5107","0.0015","90","","90","","90","","2951.3","0.3","90","0.5","90","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tris[2-(2-thienylmethylamino)ethyl]ammonium triiodide","","- C21 H33 I3 N4 S3 -","- C21 H33 I3 N4 S3 -","- C84 H132 I12 N16 S12 -","4","1","RK2235","Işıklan, Muhammet; Fronczek, Frank R.; Hossain, Md. Alamgir","Tris[2-(2-thienylmethylamino)ethyl]ammonium triiodide","Acta Crystallographica Section E","2010","66","11","o2755","","10.1107/S1600536810039462","","","0.71073","MoKα","","0.048","0.038","","","0.081","0.093","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2227952","8.3677","0.0005","12.8827","0.0008","16.5339","0.001","90","","90","","90","","1782.33","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tripropylammonium trithiocyanurate","Tripropylazanium 2,4,6-trisulfanylidenecyclohexan-1-ide","","- C12 H24 N4 S3 -","- C12 H24 N4 S3 -","- C48 H96 N16 S12 -","4","1","RN2070","Yang, Yunxia","Tripropylammonium trithiocyanurate","Acta Crystallographica Section E","2010","66","11","o2793","","10.1107/S1600536810038924","","","0.71073","MoKα","","0.0416","0.035","","","0.0924","0.0972","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227963","5.4442","0.0001","10.7665","0.0002","32.216","0.0007","90","","90","","90","","1888.34","0.06","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-3-(Anthracen-9-yl)-1-(2-ethoxyphenyl)prop-2-en-1-one","","- C25 H20 O2 -","- C25 H20 O2 -","- C100 H80 O8 -","4","1","RZ2490","Joothamongkhon, Jaruwan; Chantrapromma, Suchada; Kobkeatthawin, Thawanrat; Fun, Hoong-Kun","(<i>Z</i>)-3-(Anthracen-9-yl)-1-(2-ethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2010","66","10","o2669","o2670","10.1107/S1600536810038183","","","0.71073","MoKα","","0.0592","0.0437","","","0.0937","0.1021","","","","","","1.035","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2227979","8.8374","0.0018","16.218","0.003","19.946","0.004","90","","90","","90","","2858.8","1","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(+)-{1,2-Bis[(2<i>R</i>,5<i>R</i>)-2,5-diethylphospholan-1-yl]ethane- <i>κ</i>^2^<i>P,P'</i>}(<i>η</i>^4^-cycloocta-1,5-diene)rhodium(I) tetrafluoridoborate","","- C26 H48 B F4 P2 Rh -","- C26 H48 B F4 P2 Rh -","- C104 H192 B4 F16 P8 Rh4 -","4","1","SI2281","Schulz, Stefan; Fischer, Christian; Drexler, Hans-Joachim; Heller, Detlef","(+)-{1,2-Bis[(2<i>R</i>,5<i>R</i>)-2,5-diethylphospholan-1-yl]ethane-<i>{κ</i>}^2^<i>P</i>,<i>P</i>'}(<i>{η</i>}^4^-cycloocta-1,5-diene)rhodium(I) tetrafluoridoborate","Acta Crystallographica Section E","2010","66","11","m1370","","10.1107/S1600536810039577","","","0.71073","MoKα","","0.0282","0.0266","","","0.0725","0.0731","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2227994","7.4097","0.0005","12.7313","0.0007","18.2648","0.0009","90","","90","","90","","1723.01","0.17","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6a<i>R</i>,9<i>S</i>)-<i>N</i>-[(<i>S</i>)-1-hydroxypropan-2-yl]-7-methyl- 4,6,6a,7,8,9-hexahydroindolo[4,3-<i>fg</i>]quinoline-9-carboxamide","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","1","SJ5027","Merkel, Stefan; Köppen, Robert; Koch, Matthias; Emmerling, Franziska; Nehls, Irene","Ergometrinine","Acta Crystallographica Section E","2010","66","9","o2275","","10.1107/S1600536810030825","","","1.54178","CuKα","","0.0828","0.0439","","","0.0998","0.1122","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228004","11.5645","0.0019","13.69","0.002","31.188","0.005","90","","90","","90","","4937.6","1.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,3'-Dimethyl-1,1'-(methylenedi-<i>p</i>-phenylene)diimidazolium bis(hexafluorophosphate)","","- C21 H22 F12 N4 P2 -","- C21 H22 F12 N4 P2 -","- C168 H176 F96 N32 P16 -","8","2","SU2188","Huang, Kun; Zhang, Ping; Qin, Da-Bin","3,3'-Dimethyl-1,1'-(methylenedi-<i>p</i>-phenylene)diimidazolium bis(hexafluorophosphate)","Acta Crystallographica Section E","2010","66","9","o2202","o2203","10.1107/S1600536810029727","","","0.71073","MoKα","","0.0663","0.0596","","","0.1371","0.1417","","","","","","1.084","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228028","4.8256","0.0001","10.3928","0.0003","10.4668","0.0003","90","","90","","90","","524.93","0.02","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-(1-Ammonioethyl)phosphonate","","- C2 H8 N O3 P -","- C2 H8 N O3 P -","- C8 H32 N4 O12 P4 -","4","1","TK2694","Fernandes, José A.; Almeida Paz, Filipe A.; Vilela, Sérgio M. F.; Tomé, João P. C.; Cavaleiro, José A. S.; Ribeiro-Claro, Paulo J. A.; Rocha, João","(<i>R</i>)-(1-Ammonioethyl)phosphonate","Acta Crystallographica Section E","2010","66","9","o2271","o2272","10.1107/S1600536810030308","","","0.71073","MoKα","","0.0284","0.0253","","","0.0682","0.0698","","","","","","1.074","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228039","10.0205","0.001","10.4317","0.0011","22.101","0.002","90","","90","","90","","2310.2","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Isopropyl-5-methylcyclohexyl <i>N</i>-cyclohexyl-<i>P</i>-phenylphosphonamidate","","- C22 H36 N O2 P -","- C22 H36 N O2 P -","- C88 H144 N4 O8 P4 -","4","1","VM2032","Meng, Fan-Jie; Xu, Hao; Liu, Li-Juan; Wang, Daqi; Zhao, Chang-Qiu","2-Isopropyl-5-methylcyclohexyl <i>N</i>-cyclohexyl-<i>P</i>-phenylphosphonamidate","Acta Crystallographica Section E","2010","66","9","o2352","","10.1107/S1600536810032319","","","0.71073","MoKα","","0.0841","0.0438","","","0.0744","0.0829","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228104","7.719","0.001","10.8997","0.0016","16.302","0.003","90","","90","","90","","1371.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[(<i>S</i>)-2-methylpiperazine-1,4-diium [[trichloridobismuthate(III)]-di-μ-chlorido]]","","- C5 H14 Bi Cl5 N2 -","- C5 H14 Bi Cl5 N2 -","- C20 H56 Bi4 Cl20 N8 -","4","1","XU5013","Ru, Zong-Ling","<i>catena</i>-Poly[(<i>S</i>)-2-methylpiperazine-1,4-diium [[trichloridobismuthate(III)]-di-μ-chlorido]]","Acta Crystallographica Section E","2010","66","9","m1079","","10.1107/S1600536810031417","","","0.71073","MoKα","","0.0326","0.0307","","","0.0647","0.0656","","","","","","1.028","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228112","7.3841","0.0015","14.041","0.003","17.038","0.004","90","","90","","90","","1766.5","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Methyl-2-pyridyl <i>N</i>-acetyl-1-thio-β-D-glucosaminide methanol monosolvate","","- C15 H24 N2 O6 S -","- C15 H24 N2 O6 S -","- C60 H96 N8 O24 S4 -","4","1","XU5024","Chen, Bo; Guo, Miao; Jin, Wei-Hua; Wang, Yan-Wei; Liang, Hong-Ze","6-Methyl-2-pyridyl <i>N</i>-acetyl-1-thio-β-<small>D</small>-glucosaminide methanol monosolvate","Acta Crystallographica Section E","2010","66","10","o2561","","10.1107/S1600536810036238","","","0.71073","MoKα","","0.0682","0.0658","","","0.1675","0.1704","","","","","","1.053","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228113","5.459","0.002","11.141","0.007","21.844","0.005","90","","90","","90","","1328.5","1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(3-Cyanophenyl)-<i>N</i>-phenyloxirane-2-carboxamide","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","XU5025","Kang, Tai-Ran","3-(3-Cyanophenyl)-<i>N</i>-phenyloxirane-2-carboxamide","Acta Crystallographica Section E","2010","66","10","o2628","","10.1107/S1600536810037475","","","0.71073","MoKα","","0.0624","0.0382","","","0.0688","0.0723","","","","","","1.002","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228131","9.598","0.0003","9.7437","0.0002","26.0986","0.0006","90","","90","","90","","2440.74","0.11","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl <i>rel</i>-(3<i>R</i>,6<i>R</i>,10a<i>S</i>,11<i>S</i>,12a<i>S</i>)- 5-acetoxy-5a-acetoxymethyl-12b-hydroxy-3-methyl- 2,3,3a,5,5a,6,7,8,9,10,10a,11,12,12b-tetradecahydro-4<i>H</i>-1,6- methanocyclopenta[1,8]azuleno[4,3-<i>a-g</i>]indole-11-carboxylate","","- C27 H37 N O7 -","- C27 H37 N O7 -","- C108 H148 N4 O28 -","4","1","XU5044","Cheng, Ying; He, Xing-Jin","Yuzurimine from of <i>Daphniphyllum macropodum</i> Miq.","Acta Crystallographica Section E","2010","66","11","o3013","","10.1107/S1600536810041188","","","0.71073","MoKα","","0.0565","0.0443","","","0.1144","0.12","","","","","","1.042","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228135","4.8221","0.0001","9.3698","0.0002","37.699","0.0009","90","","90","","90","","1703.32","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(1,3-Benzothiazol-2-yl)-5-methyl-2-phenyl-1-propynyl- 1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C20 H15 N3 O S -","- C20 H15 N3 O S -","- C80 H60 N12 O4 S4 -","4","1","XU5048","Chakib, Imane; Zerzouf, Abdelfettah; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng","4-(1,3-Benzothiazol-2-yl)-5-methyl-2-phenyl-1-propynyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2010","66","11","o2843","","10.1107/S1600536810040328","","","0.71073","MoKα","","0.0563","0.0416","","","0.0969","0.1051","","","","","","0.988","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228142","6.063","0.0005","12.7384","0.001","13.4338","0.001","90","","90","","90","","1037.53","0.14","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,9-Dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-dione","","- C5 H8 Cl2 O6 P2 -","- C5 H8 Cl2 O6 P2 -","- C20 H32 Cl8 O24 P8 -","4","1","XU5060","Zhan, Zhao-Shun; Wang, Hong; Ding, Li-Ping; Dong, Chun-Mei; Sun, Cai-Ying","3,9-Dichloro-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane-3,9-dione","Acta Crystallographica Section E","2010","66","11","o3026","","10.1107/S1600536810043333","","","0.71073","MoKα","","0.037","0.0311","","","0.065","0.0688","","","","","","0.998","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228170","5.8356","0.0012","8.2581","0.0018","24.137","0.005","90","","90","","90","","1163.2","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(<i>p</i>-Tolylamino)benzaldehyde","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","ZL2311","Tian, Xiao; Xie, Yong-Sheng; Zuo, Hua","4-(<i>p</i>-Tolylamino)benzaldehyde","Acta Crystallographica Section E","2010","66","11","o2828","","10.1107/S1600536810040389","","","0.71073","MoKα","","0.0409","0.0375","","","0.1062","0.1099","","","","","","1.074","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228179","7.8318","0.0014","11.693","0.002","13.25","0.002","90","","90","","90","","1213.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(<i>E</i>)-(2-Chlorophenyl)iminomethyl]-6-methylphenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","ZQ2056","Zhu, Peihua; Yu, Jiemei; Wang, Hongyan; Zhang, Chunlai; Yang, Dongming","2-[(<i>E</i>)-(2-Chlorophenyl)iminomethyl]-6-methylphenol","Acta Crystallographica Section E","2010","66","9","o2460","","10.1107/S1600536810033969","","","0.71073","MoKα","","0.1064","0.0513","","","0.0841","0.0963","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228181","7.0739","0.0003","8.2861","0.0004","25.0456","0.0012","90","","90","","90","","1468.05","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-(6-Fluoro-4-oxo-4<i>H</i>-chromen-3-yl)-3,4-dihydro-2<i>H</i>-1,2,4- benzothiadiazine-1,1-dione","","- C16 H11 F N2 O4 S -","- C16 H11 F N2 O4 S -","- C64 H44 F4 N8 O16 S4 -","4","1","ZQ2060","al-Rashida, Mariya; Nagra, Saeed Ahmad; Khan, Islam Ullah; Kostakis, George; Abbas, Ghulam","3-(6-Fluoro-4-oxo-4<i>H</i>-chromen-3-yl)-3,4-dihydro-2<i>H</i>-1,2,4-benzothiadiazine-1,1-dione","Acta Crystallographica Section E","2010","66","11","o2707","","10.1107/S1600536810038274","","","0.71073","MoKα","","0.1185","0.0515","","","0.0773","0.0929","","","","","","0.968","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228197","7.3041","0.0002","8.0288","0.0003","29.217","0.001","90","","90","","90","","1713.38","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2',3,4,4',5-pentamethoxychalcone","1-(2,4-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","ZS2069","van Tonder, Johannes H.; Muller, Theunis J.; Bezuidenhoudt, Barend C. B.","2',3,4,4',5-Pentamethoxychalcone","Acta Crystallographica Section E","2010","66","11","o2889","o2890","10.1107/S1600536810040845","","","0.71073","MoKα","","0.039","0.0315","","","","0.113","","","","","","1.208","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228210","12.101","0.003","14.209","0.004","18.325","0.005","90","","90","","90","","3150.9","1.5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(<i>R</i>)-[1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl][2-(thiophen-2- yl)ethyl]ammonium (+)-[7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonate acetone monosolvate","(<i>R</i>)-[1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl][2-(thiophen-2- yl)ethyl]ammonium (+)-camphor-10-sulfonate acetone monosolvate","","- C28 H38 Cl N O7 S2 -","- C28 H38 Cl N O7 S2 -","- C112 H152 Cl4 N4 O28 S8 -","4","1","BH2318","Liang, Yan-Shu; Mu, Shuai; Liu, Ying; Liu, Deng-Ke","(<i>R</i>)-[1-(2-Chlorophenyl)-2-methoxy-2-oxoethyl][2-(thiophen-2-yl)ethyl]ammonium (+)-camphor-10-sulfonate acetone monosolvate","Acta Crystallographica Section E","2010","66","12","o3117","","10.1107/S160053681004523X","","","0.71073","MoKα","","0.0852","0.0391","","","0.0803","0.0957","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228214","9.887","0.002","15.114","0.003","16.128","0.003","90","","90","","90","","2410","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-morpholino-<i>N</i>'-[(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)- dehydroabietyl]thiourea","(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)-1,4a-dimethyl-<i>N</i>-[(morpholin-4-\ yl)carbothioyl]-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-\ 1-carboxamide","","- C25 H36 N2 O2 S -","- C25 H36 N2 O2 S -","- C100 H144 N8 O8 S4 -","4","1","BQ2238","Rao, Xiao-Ping; Wu, Yong; Song, Zhan-Qian; Shang, Shi-Bin","(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)-1,4a-Dimethyl-<i>N</i>-[(morpholin-4-yl)carbothioyl]-7-(propan-2-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxamide","Acta Crystallographica Section E","2010","66","12","o3079","o3080","10.1107/S1600536810044569","","","0.71073","MoKα","","0.101","0.0694","","","0.1674","0.1888","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228220","6.7873","0.0003","10.6855","0.0004","12.8442","0.0004","90","","90","","90","","931.53","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>Z</i>)-4-[(2-Hydroxyphenyl)carbamoyl]prop-2-enoic acid","","- C10 H9 N O4 -","- C10 H9 N O4 -","- C40 H36 N4 O16 -","4","1","BQ2250","Shah, Farooq Ali; Ali, Saqib; Tahir, M. Nawaz; Ahmed, Sajjad","(2<i>Z</i>)-4-[(2-Hydroxyphenyl)carbamoyl]prop-2-enoic acid","Acta Crystallographica Section E","2010","66","12","o3172","","10.1107/S1600536810045496","","","0.71073","MoKα","","0.032","0.0301","","","0.0796","0.0816","","","","","","1.085","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228245","6.3892","0.0006","12.229","0.0011","24.281","0.002","90","","90","","90","","1897.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>(S,S)</i>-TsDPEN","<i>N</i>-[(1<i>S</i>,2<i>S</i>)-2-Amino-1,2-diphenylethyl]-4- methylbenzenesulfonamide","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C84 H88 N8 O8 S4 -","4","1","BT5420","Schlemmer, Claudine; Schollmeyer, Dieter; Blank, Nancy; Stoye, Alexander; Opatz, Till","<i>N</i>-[(1<i>S</i>,2<i>S</i>)-2-Amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide [(<i>S</i>,<i>S</i>)-TsDPEN]","Acta Crystallographica Section E","2010","66","12","o3343","","10.1107/S1600536810049159","","","0.71073","MoKα","","0.0487","0.0363","","","0.0809","0.0862","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228248","9.0529","0.0019","15.855","0.003","17.869","0.004","90","","90","","90","","2564.8","0.9","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-Chlorido{3-chloro-2-[(1- naphthyl)iminomethyl]phenyl- κ^2^<i>C</i>^1^,<i>N</i>}bis(trimethylphosphane)nickel(II)","","- C23 H29 Cl2 N Ni P2 -","- C23 H29 Cl2 N Ni P2 -","- C92 H116 Cl8 N4 Ni4 P8 -","4","1","BV2163","Cao, Ruixia; Sun, Hongjian","<i>trans</i>-Chlorido{3-chloro-2-[(1-naphthyl)iminomethyl]phenyl-κ^2^<i>C</i>^1^,<i>N</i>}bis(trimethylphosphane)nickel(II)","Acta Crystallographica Section E","2010","66","12","m1589","","10.1107/S1600536810046234","","","0.71073","MoKα","","0.0444","0.0363","","","0.1091","0.1241","","","","","","0.998","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228253","5.1754","0.0003","9.2787","0.0005","23.6766","0.0012","90","","90","","90","","1136.97","0.11","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 3-[(<i>E</i>)-2-hydroxy-1-naphthyl)methylidene]carbazate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","BX2318","Sheng, Liang-Quan; Xu, Hua-Jie; Du, Na-Na; Jiang, Xue-Yue","Methyl 3-[(<i>E</i>)-(2-hydroxy-1-naphthyl)methylidene]carbazate","Acta Crystallographica Section E","2010","66","12","o3046","","10.1107/S1600536810044041","","","0.71073","MoKα","","0.0479","0.0303","","","0.0558","0.0579","","","","","","1.085","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228254","7.745","0.005","10.773","0.007","16.318","0.009","90","","90","","90","","1361.5","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-Methylpiperazine-1,4-diium tetrachloridoantimonate(III) chloride","","- C5 H14 Cl5 N2 Sb -","- C5 H14 Cl5 N2 Sb -","- C20 H56 Cl20 N8 Sb4 -","4","1","BX2322","Li, Lu; Wang, Guo-Xi","(<i>R</i>)-2-Methylpiperazine-1,4-diium tetrachloridoantimonate(III) chloride","Acta Crystallographica Section E","2010","66","12","m1629","","10.1107/S1600536810047689","","","0.71073","MoKα","","0.0198","0.019","","","0.0414","0.0417","","","","","","1.081","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228258","8.3978","0.0008","8.9032","0.0009","13.593","0.0014","90","","90","","90","","1016.31","0.18","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Carbamothioylamino-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboximide","","- C9 H9 N3 O3 S -","- C9 H9 N3 O3 S -","- C36 H36 N12 O12 S4 -","4","1","BX2331","Li, Jian","<i>N</i>-Carbamothioylamino-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboximide","Acta Crystallographica Section E","2010","66","12","o3327","","10.1107/S160053681004835X","","","0.71073","MoKα","","0.0342","0.029","","","0.067","0.0707","","","","","","1.068","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228276","5.719","0.0008","12.7229","0.0019","17.936","0.003","90","","90","","90","","1305.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(4-Methoxybenzyl)iminomethyl]phenol","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","CV2800","Phurat, Chuttree; Theerawattananond, Thapong; Muangsin, Nongnuj","2-[(4-Methoxybenzyl)iminomethyl]phenol","Acta Crystallographica Section E","2010","66","12","o3298","","10.1107/S1600536810048282","","","0.71073","MoKα","","","0.0511","","","","0.1616","","","","","","1.127","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228295","6.0211","0.0012","12.237","0.002","16.639","0.003","90","","90","","90","","1226","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Aminoanilinium benzoate","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","DN2626","Zhang, Yan-wei","2-Aminoanilinium benzoate","Acta Crystallographica Section E","2010","66","12","o3296","","10.1107/S1600536810048208","","","0.71073","MoKα","","0.0771","0.0498","","","0.1069","0.1176","","","","","","1.079","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228300","4.9457","0.0019","11.586","0.004","19.83","0.007","90","","90","","90","","1136.3","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-Sulfanylidene-1,3-benzothiazol-3-yl)butan-2-one","","- C11 H11 N O S2 -","- C11 H11 N O S2 -","- C44 H44 N4 O4 S8 -","4","1","DS2068","Du, Chao-Jun","4-(2-Sulfanylidene-1,3-benzothiazol-3-yl)butan-2-one","Acta Crystallographica Section E","2010","66","12","o3317","","10.1107/S1600536810048051","","","0.71073","MoKα","","0.057","0.0425","","","0.1079","0.1167","","","","","","1.069","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228305","7.1398","0.0003","7.3169","0.0002","20.8466","0.0009","90","","90","","90","","1089.05","0.07","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6<i>S</i>,7<i>S</i>,8<i>S</i>,8a<i>S</i>)-6-Ethyl-7,8- dihydroxy-1,5,6,7,8,8a-hexahydroindolizin-3(2<i>H</i>)-one monohydrate","","- C10 H19 N O4 -","- C10 H19 N O4 -","- C40 H76 N4 O16 -","4","1","FJ2360","Vrábel, Viktor; Švorc, Ľubomír; Šafář, Peter; Žúžiová, Jozefína","(6<i>S</i>,7<i>S</i>,8<i>S</i>,8a<i>S</i>)-6-Ethyl-7,8-dihydroxy-1,5,6,7,8,8a-hexahydroindolizin-3(2<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2010","66","12","o3112","o3113","10.1107/S1600536810044855","","","0.71073","MoKα","","0.0345","0.0294","","","0.0783","0.0805","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228369","9.7256","0.0002","15.2444","0.0003","23.204","0.0005","90","","90","","90","","3440.25","0.12","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","{2,2-Bis[(4<i>S</i>)-4-isopropyl-4,5-dihydro-1,3-oxazol-2- yl]propane}bis(<i>N</i>,<i>N</i>-dimethylformamide)copper(II) bis[hexafluoridoantimonate(V)]","","- C21 H40 Cu F12 N4 O4 Sb2 -","- C21 H40 Cu F12 N4 O4 Sb2 -","- C84 H160 Cu4 F48 N16 O16 Sb8 -","4","1","HB5747","Zeh, Julia; Möller, Melina; Strohmann, Carsten; Preut, Hans; Hiersemann, Martin","{2,2-Bis[(4<i>S</i>)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]propane}bis(<i>N</i>,<i>N</i>-dimethylformamide)copper(II) bis[hexafluoridoantimonate(V)]","Acta Crystallographica Section E","2010","66","12","m1688","","10.1107/S1600536810048658","","","0.71073","MoKα","","0.0394","0.0271","","","0.0365","0.0373","","","","","","1.036","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228371","6.9459","0.0005","9.701","0.0008","24.0382","0.0016","90","","90","","90","","1619.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","12-(4-Chlorophenyl)-7-methyl-10-phenyl- 3,4,5,6,8,10-hexaazatricyclo[7.3.0.0^2,6^]dodeca-1(9),2,4,7,11-pentaene","","- C19 H13 Cl N6 -","- C19 H13 Cl N6 -","- C76 H52 Cl4 N24 -","4","1","HB5751","Shah, Rina D.; Jotani, Mukesh M.; Tiekink, Edward R. T.","12-(4-Chlorophenyl)-7-methyl-10-phenyl-3,4,5,6,8,10-hexaazatricyclo[7.3.0.0^2,6^]dodeca-1(9),2,4,7,11-pentaene","Acta Crystallographica Section E","2010","66","12","o3305","","10.1107/S1600536810048373","","","0.71073","MoKα","","0.047","0.035","","","0.088","0.096","","","","","","0.98","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228375","5.3719","0.0007","12.1726","0.0014","27.021","0.003","90","","90","","90","","1766.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,3<i>S</i>)-Methyl 6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","HG2711","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","(1<i>R</i>,3<i>S</i>)-Methyl 6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate","Acta Crystallographica Section E","2010","66","12","o3105","","10.1107/S1600536810044909","","","0.71073","MoKα","","0.0429","0.0356","","","0.0869","0.0904","","","","","","1.042","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228376","8.8498","0.0004","9.8107","0.0004","17.5148","0.0006","90","","90","","90","","1520.68","0.11","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-2,5-dioxopyrrolidine-3,4-diyl diacetate","","- C15 H15 N O6 -","- C15 H15 N O6 -","- C60 H60 N4 O24 -","4","1","HG2732","Caracelli, Ignez; Ferreira, Fernando P.; Vieira, Adriano S.; Stefani, Hélio A.; De Simone, Carlos A.; Tiekink, Edward R. T.","1-Benzyl-2,5-dioxopyrrolidine-3,4-diyl diacetate","Acta Crystallographica Section E","2010","66","12","o3044","","10.1107/S1600536810043187","","","0.71073","MoKα","","0.044","0.036","","","0.081","0.085","","","","","","1.07","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228412","8.4995","0.0003","10.2461","0.0004","18.1656","0.0006","90","","90","","90","","1581.98","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>)-2,2-Dichloro- 3,7,7,10-tetramethyl-9,10-epoxytricyclo[6.4.0.0^1,3^]dodecane","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C64 H96 Cl8 O4 -","4","1","IM2241","Benharref, Ahmed; El Ammari, Lahcen; Avignant, Daniel; Oudahmane, Abdelghani; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>)-2,2-Dichloro-3,7,7,10-tetramethyl-9,10-epoxytricyclo[6.4.0.0^1,3^]dodecane","Acta Crystallographica Section E","2010","66","12","o3125","","10.1107/S1600536810045344","","","0.71073","MoKα","","0.0512","0.04","","","0.0983","0.1057","","","","","","1.01","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228433","8.868","0.002","11.48","0.002","31.6351","0.0018","90","","90","","90","","3220.6","0.9","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Dichlorido[2-methyl-8-(pyridin-2-ylmethoxy)quinoline- κ^3^<i>N</i>,<i>O</i>,<i>N</i>'](triphenylphosphane-κ<i>P</i>)ruthenium(II) methanol monosolvate","","- C35 H33 Cl2 N2 O2 P Ru -","- C35 H33 Cl2 N2 O2 P Ru -","- C140 H132 Cl8 N8 O8 P4 Ru4 -","4","1","JH2228","Xu, Hui-Jun; Li, Yu; Du, Qing-Yang","<i>cis</i>-Dichlorido[2-methyl-8-(pyridin-2-ylmethoxy)quinoline-κ^3^<i>N</i>,<i>O</i>,<i>N</i>'](triphenylphosphane-κ<i>P</i>)ruthenium(II) methanol monosolvate","Acta Crystallographica Section E","2010","66","12","m1679","","10.1107/S1600536810047033","","","0.71073","MoKα","","0.0597","0.0485","","","0.1135","0.1167","","","","","","1.096","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228441","8.087","0.002","11.38","0.003","16.943","0.005","90","","90","","90","","1559.3","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1β,10α:4β,5α-Diepoxy-7α<i>H</i>-germacran-6β-ol monohydrate","","- C15 H28 O4 -","- C15 H28 O4 -","- C60 H112 O16 -","4","1","JJ2065","He, Meng-Hui; Yang, Quan; Sun, Jie","1β,10α:4β,5α-Diepoxy-7α<i>H</i>-germacran-6β-ol monohydrate","Acta Crystallographica Section E","2010","66","12","o3263","","10.1107/S1600536810047732","","","0.71073","MoKα","","0.0892","0.0615","","","0.1345","0.1475","","","","","","1.061","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228443","5.5865","0.001","14.451","0.002","16.462","0.003","90","","90","","90","","1329","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(4-Hydroxypheylcarbamothioyl)benzamide","1-Benzoyl-3-(4-hydroxyphenyl)thiourea","","- C14 H12 N2 O2 S -","- C14 H12 N2 O2 S -","- C56 H48 N8 O8 S4 -","4","1","JJ2068","Al-abbasi, Aisha A.; Tan, Siew San; Kassim, Mohammad B.","1-Benzoyl-3-(4-hydroxyphenyl)thiourea","Acta Crystallographica Section E","2010","66","12","o3181","","10.1107/S1600536810045988","","","0.71073","MoKα","","0.0356","0.0312","","","0.0819","0.0851","","","","","","1.048","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228458","11.4575","0.0015","15.457","0.002","16.726","0.002","90","","90","","90","","2962.2","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>S</i>)- 20,24-Epoxydammarane-3,6,12,25-tetraol dihydrate","","- C30 H56 O7 -","- C30 H56 O7 -","- C120 H224 O28 -","4","1","LH5154","Meng, Qing-Guo; Liu, Lian-Dong; Guo, Huan-Mei; Bi, Yi; Wang, Liang","(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>S</i>)-20,24-Epoxydammarane-3,6,12,25-tetraol dihydrate","Acta Crystallographica Section E","2010","66","12","o3210","","10.1107/S1600536810046362","","","0.71073","MoKα","","0.0469","0.0415","","","0.1035","0.108","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228478","5.414","0.004","10.172","0.008","24.08","0.018","90","","90","","90","","1326.1","1.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3,4-Dihydroxyoxolan-2-yl)methyl 4-methylbenzenesulfonate","","- C12 H16 O6 S -","- C12 H16 O6 S -","- C48 H64 O24 S4 -","4","1","NG5055","Dibrov, Sergey; Carnevali, Maia; Hermann, Thomas","(3,4-Dihydroxyoxolan-2-yl)methyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2010","66","12","o3088","","10.1107/S1600536810044788","","","0.71073","MoKα","","0.0748","0.0472","","","0.0983","0.1099","","","","","","1.015","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228493","8.5313","0.0001","14.7728","0.0002","21.194","0.0004","90","","90","","90","","2671.11","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ethyl 3,6-di-<i>O</i>-benzyl-2-deoxy-<i>N</i>-phthalimido-1- thio-β-D-glucopyranoside","Ethyl 3,6-di-<i>O</i>-benzyl-2-deoxy-<i>N</i>-(1,3-dioxo-2,3-dihydro- 1H-isoindol-2-yl)-1-thio-β-D-glucopyranoside","","- C30 H31 N O6 S -","- C30 H31 N O6 S -","- C120 H124 N4 O24 S4 -","4","1","NK2066","Hamark, Christoffer; Landström, Jens; Eriksson, Lars; Widmalm, Göran","Ethyl 3,6-di-<i>O</i>-benzyl-2-deoxy-<i>N</i>-phthalimido-1-thio-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2010","66","12","o3250","o3251","10.1107/S1600536810047069","","","0.71073","MoKα","","0.0639","0.0438","","","0.0636","0.0674","","","","","","0.954","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228533","8.6728","0.0006","9.7583","0.001","25.3102","0.0015","90","","90","","90","","2142","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ethyl 4,6-<i>O</i>-benzylidene-2-deoxy-<i>N</i>-phthalimido-1- thio-β-D-glucopyranoside","ethyl 4,6-<i>O</i>-benzylidene-2-deoxy-<i>N</i>-(1,3-dioxo-2,3-dihydro- 1H-isoindol-2-yl)-1-thio-β-D-glucopyranoside","","- C23 H23 N O6 S -","- C23 H23 N O6 S -","- C92 H92 N4 O24 S4 -","4","1","RZ2504","Hamark, Christoffer; Landström, Jens; Eriksson, Lars; Widmalm, Göran","Ethyl 4,6-<i>O</i>-benzylidene-2-deoxy-<i>N</i>-phthalimido-1-thio-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2010","66","12","o3249","","10.1107/S1600536810047070","","","0.71073","MoKα","","0.103","0.0359","","","0.0766","0.11","","","","","","0.825","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228545","7.0505","0.0002","9.822","0.0003","12.0934","0.0003","90","","90","","90","","837.47","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-(<i>p</i>-Anisyl)sydnone","3-(4-methoxyphenyl)-1,2,3-oxadiazol-3-ium-5-olate","","- C9 H8 N2 O3 -","- C9 H8 N2 O3 -","- C36 H32 N8 O12 -","4","1","RZ2524","Fun, Hoong-Kun; Goh, Jia Hao; Nithinchandra; Kalluraya, B.","3-(<i>p</i>-Anisyl)sydnone","Acta Crystallographica Section E","2010","66","12","o3252","","10.1107/S1600536810047422","","","0.71073","MoKα","","0.0433","0.0372","","","0.0946","0.0996","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228551","7.592","0.002","8.505","0.002","20.445","0.002","90","","90","","90","","1320.1","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,3-Tri-<i>O</i>-acetyl-5-deoxy-D-ribofuranose","","- C11 H16 O7 -","- C11 H16 O7 -","- C44 H64 O28 -","4","1","SI2303","Tang, Wen-Jian; Lin, Zhi-Cai; Tang, Min-Fang; Li, Jun","1,2,3-Tri-<i>O</i>-acetyl-5-deoxy-<small>D</small>-ribofuranose","Acta Crystallographica Section E","2010","66","12","o3107","","10.1107/S160053681004482X","","","0.71073","MoKα","","0.0796","0.0414","","","0.1049","0.1332","","","","","","1.041","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228575","7.772","0.0016","10.49","0.002","14.114","0.003","90","","90","","90","","1150.7","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2-Aminophenyl)(<i>p</i>-tolyl)methanone","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","SU2231","Zhang, Dun-Lin; Liu, Shan; Zhang, Xiao-Li","(2-Aminophenyl)(<i>p</i>-tolyl)methanone","Acta Crystallographica Section E","2010","66","12","o3359","","10.1107/S1600536810049147","","","0.71073","MoKα","","0.0534","0.0398","","","0.1056","0.1144","","","","","","1.009","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228576","9.0884","0.0001","15.0206","0.0003","24.4749","0.0005","90","","90","","90","","3341.15","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dicyclohexylaminium (<i>S</i>)-2-(1,3-dioxoisoindolin-2-yl)-3-(1<i>H</i>-indol-3-yl)propanoate dimethylformamide solvate monohydrate","","- C34 H46 N4 O6 -","- C34 H46 N4 O6 -","- C136 H184 N16 O24 -","4","1","VM2050","Braun, Julie; Boittiaux, Irving; Tilborg, Anaelle; Lambert, Didier; Wouters, Johan","The dicyclohexylamine salt of RG108 (<i>N</i>-phthalyl-<small>L</small>-tryptophan), a potential epigenetic modulator","Acta Crystallographica Section E","2010","66","12","o3175","o3176","10.1107/S160053681004626X","","","1.54184","CuKα","","0.0425","0.0373","","","0.092","0.0941","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228602","8.426","0.0008","9.5546","0.0007","35.237","0.003","90","","90","","90","","2836.8","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Bonvalotidine A acetone solvate","5,6β-dihydroxy-1α,14α,16β-trimethoxy-4-methyl-7β,8-methylenedioxy- 20-ethylaconitan-6-yl acetate acetone monosolvate","","- C30 H47 N O9 -","- C30 H47 N O9 -","- C120 H188 N4 O36 -","4","1","XU5072","Li, Shu-Hua; Chen, Feng-Zheng","Bonvalotidine A acetone solvate from <i>Delphinium bonvalotii</i> Franch","Acta Crystallographica Section E","2010","66","12","o3319","","10.1107/S1600536810047562","","","0.71073","MoKα","","0.0482","0.0435","","","0.1023","0.104","","","","","","1.083","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228618","8.5215","0.0016","11.934","0.002","20.603","0.004","90","","90","","90","","2095.2","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-3-Bromo-4-diallylamino-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)- 2-isopropyl-5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one","","- C20 H30 Br N O3 -","- C20 H30 Br N O3 -","- C80 H120 Br4 N4 O12 -","4","1","XU5089","Fu, Jian-Hua; Wang, Zhao-Yang; Li, Jian-Xiao; Tan, Yue-He","(<i>S</i>)-3-Bromo-4-diallylamino-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2010","66","12","o3277","","10.1107/S1600536810047173","","","0.71073","MoKα","","0.0652","0.0373","","","0.0695","0.0754","","","","","","1.043","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228624","10.7163","0.0016","11.5973","0.0017","11.769","0.0017","90","","90","","90","","1462.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triethylammonium 3,4-dihydroxybenzoate monohydrate","","- C13 H23 N O5 -","- C13 H23 N O5 -","- C52 H92 N4 O20 -","4","1","ZL2325","Zhu, Li-Cai","Triethylammonium 3,4-dihydroxybenzoate monohydrate","Acta Crystallographica Section E","2010","66","12","o3179","","10.1107/S1600536810046441","","","0.71073","MoKα","","0.0533","0.0376","","","0.0844","0.0926","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228626","8.3287","0.0004","10.8895","0.0004","23.7706","0.0016","90","","90","","90","","2155.9","0.2","292","2","292","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-[Bis(ethoxycarbonyl)methyl]-6-deoxy-1,2;3,4-di-<i>O</i>-isopropylidene- D-galactopyranose","","- C19 H30 O9 -","- C19 H30 O9 -","- C76 H120 O36 -","4","1","ZL2327","Doboszewski, Bogdan; da Silva, Paulo R.; Nazarenko, Alexander Y.; Nemykin, Victor N.","6-[Bis(ethoxycarbonyl)methyl]-6-deoxy-1,2;3,4-di-<i>O</i>-isopropylidene-<small>D</small>-galactopyranose","Acta Crystallographica Section E","2010","66","12","o3217","o3218","10.1107/S1600536810046921","","","1.54187","CuKα","","0.0548","0.0402","","","0.0875","0.0963","","","","","","1.022","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228677","6.174","0.0003","8.7979","0.0005","14.2036","0.0007","90","","90","","90","","771.51","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-iminiumyl-1,3-diazepane-4-carboxylate","","- C6 H11 N3 O2 -","- C6 H11 N3 O2 -","- C24 H44 N12 O8 -","4","1","BX2320","Yang, Feng","2-Iminiumyl-1,3-diazepane-4-carboxylate","Acta Crystallographica Section E","2011","67","1","o10","","10.1107/S1600536810049676","","","0.71073","MoKα","","0.0519","0.0417","","","0.1095","0.1162","","","","","","1.076","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228689","12.3642","0.0004","12.8445","0.0005","43.5584","0.0015","90","","90","","90","","6917.6","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3a<i>S</i>,4a<i>R</i>,4b<i>S</i>,5<i>R</i>,6a<i>R</i>,10a<i>R</i>, 10b<i>R</i>,12a<i>S</i>)-1-(furan-3-yl)-5-hydroxy-4b,7,7,10a,12a-pentamethyl- 4b,5,6,6a,7,10a,10b,11,12,12a-decahydronaphtho[2,1-<i>f</i>]oxireno[2,3- <i>d</i>]isochromene-3,8(1<i>H</i>,3a<i>H</i>)-dione","","- C26 H32 O6 -","- C26 H32 O6 -","- C312 H384 O72 -","12","3","CV5013","Ravangpai, Warin; Theerawattananond, Thapong; Pengpreecha, Somjai; Muangsin, Nongnuj; Pudhom, Khanitha","7-Deacetylgedunin","Acta Crystallographica Section E","2011","67","1","o158","o159","10.1107/S1600536810052037","","","0.71073","MoKα","","","0.0677","","","","0.2115","","","","","","0.986","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228697","5.464","0.0002","10.7798","0.0005","16.255","0.0007","90","","90","","90","","957.43","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-[4-(Carboxymethyl)phenoxy]acetic acid","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","DS2074","Fu, Jun-Dan; Wen, Yi-Hang","2-[4-(Carboxymethyl)phenoxy]acetic acid","Acta Crystallographica Section E","2011","67","1","o167","","10.1107/S1600536810051810","","","0.71073","MoKα","","","0.0373","","","0.0871","0.0987","","","","","","1.072","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228715","22.81","0.02","26.47","0.03","30.77","0.03","90","","90","","90","","18578","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[3α,7α,12α-tris(4-nitrobenzoyloxy)-5β-cholan-24-yl] disulfide‒ethyl acetate‒<i>n</i>-hexane (4/4/1)","","- C95.5 H111.5 N6 O26 S2 -","- C95.5 H111.5 N6 O26 S2 -","- C764 H892 N48 O208 S16 -","8","2","GK2316","Brzezinski, Krzysztof; Tomkiel, Aneta M.; Łotowski, Zenon; Morzycki, Jacek; Dauter, Zbigniew","Bis[3α,7α,12α-tris(4-nitrobenzoyloxy)-5β-cholan-24-yl] disulfide‒ethyl acetate‒<i>n</i>-hexane (4/4/1)","Acta Crystallographica Section E","2011","67","1","o74","o75","10.1107/S1600536810050385","","","0.5904","synchrotron","","0.047","0.0454","","","0.1336","0.1352","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228721","5.895","0.0003","17.8634","0.001","18.214","0.0011","90","","90","","90","","1918.02","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-((<i>Z</i>)-{3-[(<i>Z</i>)-(2-Hydroxy-5-methylbenzylidene)amino]-2,2-dimethylpropyl}iminomethyl)-4-methylphenol","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","1","GW2096","Kia, Reza; Kargar, Hadi; Mirkhani, Valiollah; Ganji, Fatemeh; Tahir, Muhammad Nawaz","2-((<i>Z</i>)-{3-[(<i>Z</i>)-(2-Hydroxy-5-methylbenzylidene)amino]-2,2-dimethylpropyl}iminomethyl)-4-methylphenol","Acta Crystallographica Section E","2011","67","1","o130","","10.1107/S1600536810051688","","","0.71073","MoKα","","0.0885","0.0437","","","0.0932","0.1118","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228723","9.8505","0.0004","13.5256","0.0006","39.3169","0.0017","90","","90","","90","","5238.3","0.4","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ptilosarcenone 2.5-hydrate","ptilosarcenone 2.5-hydrate","","- C24 H34 Cl O10.5 -","- C24 H30 Cl O10.5 -","- C192 H240 Cl8 O84 -","8","2","HB5711","Nurco, Daniel J.; Conklin, Douglas E.; Shapiro, Nathan S.; Tran, Elaine","The absolute structure of ptilosarcenone 2.5-hydrate, a diterpenoid briarane from the orange sea pen <i>Ptilosarcus gurneyi</i> (Gray)","Acta Crystallographica Section E","2011","67","1","o181","o182","10.1107/S1600536810050142","","","0.71073","MoKα","","0.0702","0.0686","","","0.1713","0.1721","","","","","","1.224","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2228726","7.6936","0.0011","16.151","0.002","28.439","0.004","90","","90","","90","","3533.8","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>S</i>)- 3,6,12-Triacetyl-20,24-epoxydammarane-3,6,12,25-tetraol","","- C36 H58 O8 -","- C36 H58 O8 -","- C144 H232 O32 -","4","1","HB5749","Guo, Huan-Mei; Wang, Liang; Wang, Nan; Zhang, Jiang-Feng; Meng, Qing-Guo","(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>S</i>)-3,6,12-Triacetyl-20,24-epoxydammarane-3,6,12,25-tetraol","Acta Crystallographica Section E","2011","67","1","o59","","10.1107/S1600536810050749","","","0.71073","MoKα","","0.0666","0.045","","","0.1061","0.1152","","","","","","1.044","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228748","4.8444","0.0003","12.7237","0.001","17.4388","0.0013","90","","90","","90","","1074.9","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2-Bromo-2-deoxy-β-D-xylofuranosyl)uracil","","- C9 H11 Br N2 O5 -","- C9 H11 Br N2 O5 -","- C36 H44 Br4 N8 O20 -","4","1","HG2764","Zhou, Zhong-Gao; Fu, Shun-Guo; Lai, Wu-Leng; Wang, Chun-Feng","1-(2-Bromo-2-deoxy-β-<small>D</small>-xylofuranosyl)uracil","Acta Crystallographica Section E","2011","67","1","o111","","10.1107/S1600536810051081","","","0.71073","MoKα","","0.0234","0.021","","","0.0476","0.048","","","","","","1.021","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228749","7.0927","0.0005","23.3998","0.0015","24.9335","0.0016","90","","90","","90","","4138.2","0.5","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2([neocuproineH+][hydrogen-D-tartrate-])nonahydrate","Bis(2,9-dimethyl-1,10-phenanthrolin-1-ium) hydrogen (<i>S</i>,<i>S</i>)-tartrate nonahydrate","","- C36 H54 N4 O21 -","- C36 H54 N4 O21 -","- C144 H216 N16 O84 -","4","1","HG2765","Derikvand, Zohreh; Olmstead, Marilyn M.","Bis(2,9-dimethyl-1,10-phenanthrolin-1-ium) hydrogen (<i>S</i>,<i>S</i>)-tartrate nonahydrate","Acta Crystallographica Section E","2011","67","1","o87","o88","10.1107/S160053681005110X","","","0.71073","MoKα","","0.1026","0.0896","","","0.1685","0.1731","","","","","","1.252","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228750","10.5492","0.0005","17.7053","0.0007","19.1985","0.0009","90","","90","","90","","3585.8","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Diiodidobis(triphenylphosphine oxide)cadmium","","- C36 H30 Cd I2 O2 P2 -","- C36 H30 Cd I2 O2 P2 -","- C144 H120 Cd4 I8 O8 P8 -","4","1","HG2772","Shanthakumari, R.; Hema, R.; Ramamurthy, K.; Stoeckli-Evans, Helen","Diiodidobis(triphenylphosphine oxide)cadmium","Acta Crystallographica Section E","2011","67","1","m114","","10.1107/S160053681005302X","","","0.71073","MoKα","","0.039","0.0305","","","0.0488","0.0504","","","","","","1.008","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228756","6.5482","0.0013","12.609","0.003","16.606","0.003","90","","90","","90","","1371.1","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(5-Methyl-3-phenyl-1<i>H</i>-pyrazol-1-yl)propanamide monohydrate","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C52 H68 N12 O8 -","4","1","IM2245","Chen, Shu-Jiao; Zhang, Jian-Feng","3-(5-Methyl-3-phenyl-1<i>H</i>-pyrazol-1-yl)propanamide monohydrate","Acta Crystallographica Section E","2011","67","1","o47","","10.1107/S160053681005035X","","","0.71073","MoKα","","0.0719","0.0495","","","0.1203","0.1402","","","","","","1.078","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228760","6.798","0.0002","8.7618","0.0003","10.6797","0.0003","90","","90","","90","","636.11","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Hydroxypyridinium-3-sulfonate","","- C5 H5 N O4 S -","- C5 H5 N O4 S -","- C20 H20 N4 O16 S4 -","4","1","IM2249","Zhu, Zhi-Biao; Gao, Shan; Ng, Seik Weng","4-Hydroxypyridinium-3-sulfonate","Acta Crystallographica Section E","2011","67","1","o11","","10.1107/S1600536810049603","","","0.71073","MoKα","","0.0248","0.0237","","","0.0649","0.0679","","","","","","1.087","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228762","6.969","0.0014","12.716","0.003","17.379","0.004","90","","90","","90","","1540.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile","","- C20 H14 F N3 -","- C20 H14 F1.01 N3 -","- C80 H56 F4.04 N12 -","4","1","IM2252","Wang, Wei; Tang, Shi-gui; Guo, Cheng; Luan, Chang-jun; Du, Ren-jun","2-Amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile","Acta Crystallographica Section E","2011","67","1","o96","","10.1107/S1600536810050695","","","0.71073","MoKα","","0.0687","0.0516","","","0.1478","0.1609","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228805","3.818","0.0001","20.816","0.0008","21.442","0.0008","90","","90","","90","","1704.11","0.1","291","","291","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Imidazolium picrate‒midazole‒water (1/1/1)","","- C12 H13 N7 O8 -","- C12 H13 N7 O8 -","- C48 H52 N28 O32 -","4","1","LH5175","Moreno-Fuquen, Rodolfo; De Almeida Santos, Regina; Aguirre, Lina","Imidazole‒imidazolium picrate monohydrate","Acta Crystallographica Section E","2011","67","1","o139","","10.1107/S160053681005169X","","","0.71073","MoKα","","0.058","0.04","","","0.098","0.109","","","","","","1.063","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228827","6.604","0.001","13.358","0.002","15.474","0.002","90","","90","","90","","1365.1","0.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>'-Diphenylbut-2-enediamide","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","NG5082","Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.; Fuess, Hartmut","<i>N</i>,<i>N</i>'-Diphenylbut-2-enediamide","Acta Crystallographica Section E","2011","67","1","o117","","10.1107/S1600536810051330","","","1.5418","CuKα","","0.045","0.0433","","","0.0984","0.1002","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228836","7.7203","0.0005","14.2043","0.001","21.28","0.002","90","","90","","90","","2333.6","0.3","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(<i>Z</i>)-Methyl 2-[2,3-bis(benzyloxycarbonyl)guanidino]-4-methylpentanoate","","- C24 H29 N3 O6 -","- C24 H29 N3 O6 -","- C96 H116 N12 O24 -","4","1","OM2385","Fronczek, Chris F.; Kil, HyunJoo; McLaughlin, Mark L.; Fronczek, Frank R.","(<i>S</i>)-(<i>Z</i>)-Methyl 2-[2,3-bis(benzyloxycarbonyl)guanidino]-4-methylpentanoate","Acta Crystallographica Section E","2011","67","1","o27","o28","10.1107/S1600536810050130","","","0.71073","MoKα","","0.0522","0.0425","","","0.0953","0.1007","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228856","7.7425","0.0016","11.871","0.002","25.306","0.005","90","","90","","90","","2325.9","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","19-Benzoyloxy-13,16-<i>seco</i>-<i>ent</i>-beyeran 13,16-lactone","","- C27 H34 O5 -","- C27 H34 O5 -","- C108 H136 O20 -","4","1","RN2071","Cai, Jin; Zha, Xiaoming","19-Benzoyloxy-13,16-<i>seco</i>-<i>ent</i>-beyeran 13,16-lactone","Acta Crystallographica Section E","2011","67","1","o134","","10.1107/S1600536810051561","","","0.71073","MoKα","","0.0955","0.0511","","","0.124","0.1542","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228863","12.653","0.0003","15.5256","0.0004","19.7819","0.0005","90","","90","","90","","3886.06","0.17","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(9,11-Dimethoxy-4-oxo-2,3,4,6,7,11b-hexahydro-1<i>H</i>-pyrido[2,1-<i>a</i>]isoquinolin-3-yl)benzamide","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C176 H192 N16 O32 -","8","2","RZ2531","Fun, Hoong-Kun; Kuntiyong, Punlop; Tuntiwachwuttikul, Pittaya; Chantrapromma, Suchada","<i>N</i>-(9,11-Dimethoxy-4-oxo-2,3,4,6,7,11b-hexahydro-1<i>H</i>-pyrido[2,1-<i>a</i>]isoquinolin-3-yl)benzamide","Acta Crystallographica Section E","2011","67","1","o113","o114","10.1107/S1600536810050737","","","0.71073","MoKα","","0.0387","0.0368","","","0.0966","0.0981","","","","","","1.044","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228914","7.192","0.002","9.622","0.003","27.534","0.009","90","","90","","90","","1905.4","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>)-3-Chloro-4-(2,5-dihydro-1<i>H</i>-pyrrol-1-yl)- 5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5- methylcyclohexyloxy]furan-2(5<i>H</i>)-one","","- C18 H26 Cl N O3 -","- C18 H26 Cl N O3 -","- C72 H104 Cl4 N4 O12 -","4","1","XU5106","Fu, Jian-Hua; Wang, Zhao-Yang; Xue, Fu-Ling; Huo, Jing-Pei","(5<i>S</i>)-3-Chloro-4-(2,5-dihydro-1<i>H</i>-pyrrol-1-yl)-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","1","o73","","10.1107/S1600536810051226","","","0.71073","MoKα","","0.1148","0.0515","","","0.1074","0.1291","","","","","","1.02","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228924","8.021","0.0016","8.337","0.0017","17.562","0.004","90","","90","","90","","1174.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(7-Fluoroquinazolin-4-yl)oxy]aniline","","- C14 H10 F N3 O -","- C14 H10 F N3 O -","- C56 H40 F4 N12 O4 -","4","1","ZL2317","Jia, Jing; Wang, Guibin; Lu, Dingqiang","4-[(7-Fluoroquinazolin-4-yl)oxy]aniline","Acta Crystallographica Section E","2011","67","1","o229","","10.1107/S1600536810053286","","","0.71073","MoKα","","0.0722","0.0449","","","0.0946","0.1098","","","","","","1.018","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228947","7.287","0.004","7.287","0.004","28.158","0.017","90","","90","","90","","1495.2","1.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(2-nitrophenoxy)propan-2-ol","","- C15 H14 N2 O7 -","- C15 H14 N2 O7 -","- C60 H56 N8 O28 -","4","1","BQ2262","Xiao, Zhi-You; Tang, Wen-Hua; Wang, Shao-Yun","1,3-Bis(2-nitrophenoxy)propan-2-ol","Acta Crystallographica Section E","2011","67","2","o357","","10.1107/S1600536811000250","","","0.71073","MoKα","","0.0716","0.0389","","","0.0913","0.1031","","","","","","0.963","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228955","5.3094","0.0005","8.5309","0.001","27.925","0.003","90","","90","","90","","1264.8","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(4-Methoxyphenyl)benzenesulfonamide","","- C13 H13 N O3 S -","- C13 H13 N O3 S -","- C52 H52 N4 O12 S4 -","4","1","BQ2272","Ibrahim, Saba; Tahir, M. Nawaz; Iqbal, Nadeem; Shahwar, Durre; Raza, Muhammad Asam","<i>N</i>-(4-Methoxyphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","2","o298","","10.1107/S1600536811000365","","","0.71073","MoKα","","0.1158","0.0608","","","0.1119","0.1308","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228960","12.6858","0.0013","13.6733","0.0013","15.2782","0.0017","90","","90","","90","","2650.1","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3'-(4-Chlorobenzoyl)-1'-methyl-4'-[5-(2-thienyl)-2- thienyl]spiro[acenaphthylene-1,2'-pyrrolidin]-2(1<i>H</i>)-one","","- C31 H22 Cl N O2 S2 -","- C31.001 H22.001 Cl N O2 S2.001 -","- C124.004 H88.004 Cl4 N4 O8 S8.004 -","4","1","BT5403","Thenmozhi, S.; Govindan, E.; Gavaskar, D.; Raghunathan, R.; SubbiahPandi, A.","3'-(4-Chlorobenzoyl)-1'-methyl-4'-[5-(2-thienyl)-2-thienyl]spiro[acenaphthylene-1,2'-pyrrolidin]-2(1<i>H</i>)-one","Acta Crystallographica Section E","2011","67","2","o268","","10.1107/S1600536810053870","","","0.71073","MoKα","","0.0642","0.0445","","","0.0991","0.1134","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2228965","5.986","0.0017","7.405","0.0014","31.589","0.005","90","","90","","90","","1400.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-(+)-Dimethyl[4-oxido-2-oxo-1-(1-phenylethyl)-1,2,5,6- tetrahydropyridin-3-yl]sulfonium","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C60 H76 N4 O8 S4 -","4","1","BT5438","Gordillo, Paola G.; Terán, Joel L.; Juárez, Jorge R.; Mendoza, Angel","(<i>R</i>)-(+)-Dimethyl[4-oxido-2-oxo-1-(1-phenylethyl)-1,2,5,6-tetrahydropyridin-3-yl]sulfonium","Acta Crystallographica Section E","2011","67","2","o239","","10.1107/S1600536810052955","","","0.71073","MoKα","","0.0974","0.0606","","","0.1314","0.1525","","","","","","1.029","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2228975","8.9444","0.0016","14.135","0.003","19.112","0.003","90","","90","","90","","2416.3","0.8","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anthriscifolcine A","","- C26 H39 N O7 -","- C26 H39 N O7 -","- C104 H156 N4 O28 -","4","1","BT5455","Song, Zhi-Jun; Chen, Wei-Quan; Du, Xiao-Ying; Yuan, Yun-Fei; Xu, Han-Hong","Anthriscifolcine A, a C18-diterpenoid alkaloid","Acta Crystallographica Section E","2011","67","2","o395","","10.1107/S1600536811001346","","","0.71073","MoKα","","0.0359","0.0342","","","0.0793","0.0803","","","","","","0.999","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2228998","7.6628","0.0019","10.516","0.003","29.855","0.008","90","","90","","90","","2405.8","1.1","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(22<i>E</i>,24<i>R</i>)-3α,5-Cyclo-5α-ergosta-22-en-6-one","","- C28 H44 O -","- C28 H44 O -","- C112 H176 O4 -","4","1","CV5014","Sheng, Liu-qing; Zeng, Fang; Chen, Fei; Xia, Chun-nian","(22<i>E</i>,24<i>R</i>)-3α,5-Cyclo-5α-ergosta-22-en-6-one","Acta Crystallographica Section E","2011","67","2","o244","","10.1107/S1600536810052906","","","0.71073","MoKα","","0.0402","0.0375","","","0.0846","0.0864","","","","","","1","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229073","4.4029","0.0003","20.5847","0.0015","39.612","0.003","90","","90","","90","","3590.1","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-Crebanine","9,10-dimethoxy-7-methyl-6,7,7a,8-tetrahydro-5<i>H</i>- benzo[<i>g</i>][1,3]benzodioxolo[6,5,4-<i>de</i>]quinoline","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","2","HG2768","Duangthongyou, Tanwawan; Makarasen, Arthit; Techasakul, Supanna; Chimnoi, Nitirat; Siripaisarnpipat, Sutatip","({-})-Crebanine","Acta Crystallographica Section E","2011","67","2","o402","","10.1107/S1600536811001231","","","0.71073","MoKα","","","0.105","","","","0.2493","","","","","","1.2","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229085","7.547","0.002","11.754","0.003","14.912","0.003","90","","90","","90","","1322.8","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Chloro-<i>N</i>'-(4-hydroxybenzylidene)benzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","HG2786","Li, Tian-Yi; Ran, Xiao-Li","3-Chloro-<i>N</i>'-(4-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2011","67","2","o331","","10.1107/S1600536811000699","","","0.71073","MoKα","","0.0931","0.0496","","","0.0799","0.0941","","","","","","0.949","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229110","7.7501","0.0001","11.0052","0.0002","20.9834","0.0003","90","","90","","90","","1789.7","0.05","297","","297","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Benzyl <i>N</i>-{2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl}carbamate","","- C19 H18 Cl N3 O3 -","- C19 H18 Cl N3 O3 -","- C76 H72 Cl4 N12 O12 -","4","1","IS2659","Fun, Hoong-Kun; Sumangala, V.; Nagaraja, G. K.; Poojary, Boja; Chantrapromma, Suchada","Benzyl <i>N</i>-{2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl}carbamate","Acta Crystallographica Section E","2011","67","2","o420","o421","10.1107/S1600536811001504","","","0.71073","MoKα","","0.0517","0.0361","","","0.0794","0.0865","","","","","","1.024","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229168","8.0011","0.0004","9.6006","0.0004","19.1606","0.0009","90","","90","","90","","1471.83","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ<i>O</i>)zinc(II)","","- C12 H14 N2 O7 S Zn -","- C12 H14 N2 O7 S Zn -","- C48 H56 N8 O28 S4 Zn4 -","4","1","NG5108","Liu, Hong; Qin, Hui; Zhang, Yun-Jie; Yang, Hong-Wei; Zhang, Jian","Triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)zinc(II)","Acta Crystallographica Section E","2011","67","2","m280","m281","10.1107/S1600536811003138","","","0.71073","MoKα","","0.0232","0.0213","","","0.0492","0.05","","","","","","1.005","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229173","4.482","0.002","9.123","0.005","22.819","0.011","90","","90","","90","","933.1","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3,6-Dibromo-<i>o</i>-phenylene)dimethanol","","- C8 H8 Br2 O2 -","- C8 H8 Br2 O2 -","- C32 H32 Br8 O8 -","4","1","OM2391","Li, Qi; Xue, Wei-jian","(3,6-Dibromo-<i>o</i>-phenylene)dimethanol","Acta Crystallographica Section E","2011","67","2","o400","","10.1107/S1600536811001206","","","0.71073","MoKα","","0.0605","0.0434","","","0.1025","0.1106","","","","","","1.049","","","","has coordinates","201978","2020-10-21","18:00:00",""
"2229176","4.631","0.002","13.558","0.003","25.478","0.003","90","","90","","90","","1599.7","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Chloro-<i>N</i>'-(3-ethoxy-2-hydroxybenzylidene)benzohydrazide monohydrate","","- C16 H17 Cl N2 O4 -","- C16 H17 Cl N2 O4 -","- C64 H68 Cl4 N8 O16 -","4","1","OM2396","Li, Tian-Yi; Zeng, Peng-Tao","3-Chloro-<i>N</i>'-(3-ethoxy-2-hydroxybenzylidene)benzohydrazide monohydrate","Acta Crystallographica Section E","2011","67","2","o377","","10.1107/S160053681100122X","","","0.71073","MoKα","","0.1947","0.0672","","","0.1174","0.1576","","","","","","1.004","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229180","8.1743","0.0008","11.5945","0.0011","12.0396","0.0009","90","","90","","90","","1141.08","0.18","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","anhydrous gabapentin nitrate complex","[1-(Carboxymethyl)cyclohexyl]methanaminium nitrate","","- C9 H18 N2 O5 -","- C9 H18 N2 O5 -","- C36 H72 N8 O20 -","4","1","PB2049","de Vries, Elise J. C.; Gamble, Caryn; Shaikjee, Ahmed","[1-(Carboxymethyl)cyclohexyl]methanaminium nitrate","Acta Crystallographica Section E","2011","67","2","o513","","10.1107/S1600536811001267","","","0.71073","MoKα","","0.0394","0.0333","","","0.0813","0.0841","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229183","10.0609","0.0014","10.6054","0.0015","14.335","0.002","90","","90","","90","","1529.5","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-Ferrocenyl-3-hydroxy-3-phenylpropan-1-one","","- C19 H18 Fe O2 -","- C19 H18 Fe O2 -","- C76 H72 Fe4 O8 -","4","1","PB2052","Wang, Ping-An","(<i>S</i>)-1-Ferrocenyl-3-hydroxy-3-phenylpropan-1-one","Acta Crystallographica Section E","2011","67","2","m183","","10.1107/S1600536811000766","","","0.71073","MoKα","","0.0378","0.0313","","","0.0615","0.0659","","","","","","1.061","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229198","8.328","0.003","15.635","0.005","16.547","0.005","90","","90","","90","","2154.6","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-[bis(phenylmethyl)amino]-1-deoxy-4,5-O-isopropylidene-β-D-Fructopyranose","1-Dibenzylamino-1-deoxy-4,5-<i>O</i>-isopropylidene-β-<i>D</i>-\ fructopyranose","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C92 H116 N4 O20 -","4","1","RK2247","Huo, Shiyong; Li, Yueqing; Liang, Chaoyan; Liu, Jihong; Zhao, Weijie","1-Dibenzylamino-1-deoxy-4,5-<i>O</i>-isopropylidene-β-<small>D</small>-fructopyranose","Acta Crystallographica Section E","2011","67","2","o387","","10.1107/S1600536810053973","","","0.71073","MoKα","","0.0487","0.0367","","","0.092","0.0985","","","","","","0.991","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229203","6.5332","0.0012","8.888","0.002","25.29","0.03","90","","90","","90","","1468.5","1.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>,<i>Z</i>)-1-Chloro-3-[(3,4,5-trimethoxybenzylidene)amino]propan-2-ol","","- C13 H18 Cl N O4 -","- C13 H18 Cl N O4 -","- C52 H72 Cl4 N4 O16 -","4","1","RN2076","Ren, Yun; Qian, Shan; Hai, Li; Fan, Wei; Wu, Yong","(<i>S</i>,<i>Z</i>)-1-Chloro-3-[(3,4,5-trimethoxybenzylidene)amino]propan-2-ol","Acta Crystallographica Section E","2011","67","2","o245","","10.1107/S1600536810053420","","","0.7107","MoKα","","0.0846","0.0511","","","0.1194","0.1257","","","","","","1.064","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229219","8.8898","0.0003","10.3571","0.0003","20.0938","0.0007","90","","90","","90","","1850.09","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Methoxycarbonylpyridinium tetrachlorido(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","","- C13 H12 Cl4 N2 O4 Sn -","- C13 H12 Cl4 N2 O4 Sn -","- C52 H48 Cl16 N8 O16 Sn4 -","4","1","SI2326","Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng","2-Methoxycarbonylpyridinium tetrachlorido(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV)","Acta Crystallographica Section E","2011","67","2","m239","","10.1107/S1600536811001930","","","0.71073","MoKα","","0.0231","0.021","","","0.0486","0.0493","","","","","","0.955","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229240","8.2018","0.0002","18.6416","0.0003","22.0994","0.0005","90","","90","","90","","3378.88","0.12","293","","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,3,3',4',6'-Hexaacetyl-4,6-<i>O</i>-benzylidenesucrose","","- C31 H38 O17 -","- C31 H38 O17 -","- C124 H152 O68 -","4","1","SU2240","Brito-Arias, Marco A.; Soto-Ortega, Miguel; García-Báez, Efrén V.","1,2,3,3',4',6'-Hexaacetyl-4,6-<i>O</i>-benzylidenesucrose","Acta Crystallographica Section E","2011","67","2","o486","","10.1107/S1600536811002546","","","0.71073","MoKα","","0.0457","0.0361","","","0.0871","0.0909","","","","","","1.025","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229263","14.12","0.02","15.44","0.02","21.25","0.03","90","","90","","90","","4633","11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[[(3,5-dimethyl-1<i>H</i>-pyrazole)copper(II)]-μ- {<i>N</i>-[1-(2-oxidophenyl)ethylidene]-L-valinato}] methanol monosolvate]","","- C19 H27 Cu N3 O4 -","- C19 H27 Cu N3 O4 -","- C152 H216 Cu8 N24 O32 -","8","2","WM2441","Zhao, Gan-Qing; Li, Xu-Dong; Han, Yong-Jun; Xue, Ling-Wei; Peng, Qin-Long","<i>catena</i>-Poly[[[(3,5-dimethyl-1<i>H</i>-pyrazole)copper(II)]-μ-{<i>N</i>-[1-(2-oxidophenyl)ethylidene]-<small>L</small>-valinato}] methanol monosolvate]","Acta Crystallographica Section E","2011","67","2","m173","m174","10.1107/S1600536811000304","","","0.71073","MoKα","","0.1229","0.0544","","","0.1069","0.1297","","","","","","1.009","","","","has coordinates","176789","2020-10-21","18:00:00",""
"2229275","8.5708","0.0003","16.3149","0.0005","18.5346","0.0006","90","","90","","90","","2591.73","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Deltaline","6β,10-dihydroxy-1α,14α,16β-trimethoxy-4-methyl-7β,8-(methylenedioxy)- 20-ethylaconitan-6-yl acetate","","- C27 H41 N O8 -","- C27 H41 N O8 -","- C108 H164 N4 O32 -","4","1","XU5116","Wang, Xiong-Qing; Song, Qin; Guo, Xiao-Qiang; Yan, Jun","Deltaline from <i>Delphinium delavayi</i> Franch","Acta Crystallographica Section E","2011","67","2","o439","","10.1107/S1600536811001681","","","0.7107","MoKα","","0.0528","0.0384","","","0.0824","0.0852","","","","","","1.111","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229288","8.7665","0.0018","11.605","0.003","21.392","0.005","90","","90","","90","","2176.3","0.9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-5-Benzenecarbothioyl-1,11-dimethyl-6-phenyl-5<i>H</i>- dibenzo[<i>d</i>,<i>f</i>][1,3]diazepine","","- C28 H22 N2 S -","- C28 H22 N2 S -","- C112 H88 N8 S4 -","4","1","XU5136","Zhang, Jia-Xin; Ng, Seik Weng","(<i>Z</i>)-5-Benzenecarbothioyl-1,11-dimethyl-6-phenyl-5<i>H</i>-dibenzo[<i>d</i>,<i>f</i>][1,3]diazepine","Acta Crystallographica Section E","2011","67","2","o364","","10.1107/S1600536811000092","","","0.7107","MoKα","","0.0461","0.0392","","","0.0817","0.0852","","","","","","0.992","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229294","5.49518","0.00012","12.1422","0.0003","19.0529","0.0005","90","","90","","90","","1271.28","0.05","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[(Dibenzo[<i>b</i>,<i>d</i>]thiophen-4-yl)tellanyl]methanethiol","{8-thiatricyclo[7.4.0.0^2,7^]trideca-1(9),2(7),3,5,10,12-hexaen-6- yltellanyl}methanethiol","","- C13 H10 S2 Te -","- C13 H10 S2 Te -","- C52 H40 S8 Te4 -","4","1","XU5144","Liang, Zuo-Qin; Tao, Xu-Tang","[(Dibenzo[<i>b</i>,<i>d</i>]thiophen-4-yl)tellanyl]methanethiol","Acta Crystallographica Section E","2011","67","2","o519","","10.1107/S160053681100273X","","","0.7107","MoKα","","0.038","0.0337","","","0.0812","0.083","","","","","","0.977","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229318","9.1906","0.0008","12.2604","0.001","14.7499","0.0012","90","","90","","90","","1662","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dibromido{2-(morpholin-4-yl)-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}cadmium","","- C13 H19 Br2 Cd N3 O -","- C13 H19 Br2 Cd N3 O -","- C52 H76 Br8 Cd4 N12 O4 -","4","1","BG2390","Suleiman Gwaram, Nura; Khaledi, Hamid; Mohd Ali, Hapipah","Dibromido{2-(morpholin-4-yl)-<i>N</i>-[1-(2-pyridyl)ethylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}cadmium","Acta Crystallographica Section E","2011","67","3","m347","","10.1107/S160053681100554X","","","0.71073","MoKα","","0.0232","0.0207","","","0.0405","0.041","","","","","","1.094","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229332","5.5256","0.001","13.928","0.002","16.685","0.003","90","","90","","90","","1284.1","0.4","291","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>R</i>)-2-(Pyridin-4-ylmethylamino)cyclohexanaminium chloride","","- C12 H20 Cl N3 -","- C12 H20 Cl N3 -","- C48 H80 Cl4 N12 -","4","1","BT5470","Cheng, Lin; Zhang, Li-Min; Wang, Jian-Quan","(1<i>R</i>,2<i>R</i>)-2-(Pyridin-4-ylmethylamino)cyclohexanaminium chloride","Acta Crystallographica Section E","2011","67","3","o676","","10.1107/S1600536811005526","","","0.71073","MoKα","","0.0457","0.0408","","","0.0977","0.1024","","","","","","1.057","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229369","5.8382","0.0001","10.7005","0.0002","30.9451","0.0006","90","","90","","90","","1933.19","0.06","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>Z</i>,3<i>E</i>)-2-{[1-(4-Chlorobenzyl)-1<i>H</i>-indol-3- yl]methylidene}quinuclidin-3-one oxime","","- C23 H22 Cl N3 O -","- C23 H22 Cl N3 O -","- C92 H88 Cl4 N12 O4 -","4","1","FJ2375","Penthala, Narsimha Reddy; Reddy, Thirupathi Reddy Yerram; Parkin, Sean; Crooks, Peter A.","(2<i>Z</i>,3<i>E</i>)-2-{[1-(4-Chlorobenzyl)-1<i>H</i>-indol-3-yl]methylidene}quinuclidin-3-one oxime","Acta Crystallographica Section E","2011","67","3","o735","","10.1107/S160053681100612X","","","0.71073","MoKα","","0.0864","0.0486","","","0.115","0.1373","","","","","","1.055","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229390","9.187","0.005","9.248","0.005","24.987","0.012","90","","90","","90","","2122.9","1.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>)-3-Chloro-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5- methylcyclohexyloxy]-4-(4-methylpiperidin-1-yl)furan-2(5<i>H</i>)-one","","- C20 H32 Cl N O3 -","- C20 H32 Cl N O3 -","- C80 H128 Cl4 N4 O12 -","4","1","GO2003","Wang, Xiao-Mei; Fu, Jian-Hua; Cai, Song-Liang; Wang, Zhao-Yang","(5<i>S</i>)-3-Chloro-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]-4-(4-methylpiperidin-1-yl)furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","3","o656","","10.1107/S1600536811005216","","","0.71073","MoKα","","0.0891","0.0426","","","0.0949","0.112","","","","","","1.014","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229399","7.1411","0.0002","9.9878","0.0004","23.753","0.0011","90","","90","","90","","1694.16","0.11","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-1-(2-Chlorophenyl)-2-oxocyclohexan-1-aminium D-tartrate","","- C16 H20 Cl N O7 -","- C16 H20 Cl N O7 -","- C64 H80 Cl4 N4 O28 -","4","1","HG2766","Hojahmat, Marhaba; Zheng, Guangrong; Siegler, Max; Parkin, Sean; Biermann, Manfred; Crooks, Peter A.","(<i>S</i>)-1-(2-Chlorophenyl)-2-oxocyclohexan-1-aminium <small>D</small>-tartrate","Acta Crystallographica Section E","2011","67","3","o736","","10.1107/S1600536811006131","","","0.71073","MoKα","","0.1658","0.0596","","","0.1057","0.139","","","","","","0.963","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229400","7.8338","0.0001","27.8759","0.0003","29.3202","0.0003","90","","90","","90","","6402.78","0.13","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>)-2,5-Bis(2-fluoro-5-methoxyphenethyl)pyrrolidinium formate","","- C23 H29 F2 N O4 -","- C23 H29 F2 N O4 -","- C276 H348 F24 N12 O48 -","12","3","HG2767","Ponugoti, Purushothama Rao; Penthala, Narsimha Reddy; Dwoskin, Linda P.; Parkin, Sean; Crooks, Peter A.","<i>cis</i>-2,5-Bis(2-fluoro-5-methoxyphenethyl)pyrrolidinium formate","Acta Crystallographica Section E","2011","67","3","o737","","10.1107/S1600536811006143","","","0.71073","MoKα","","0.1066","0.0556","","","0.1303","0.1547","","","","","","1.003","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229411","9.0666","0.0004","9.1215","0.0003","12.0696","0.0006","90","","90","","90","","998.17","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[bis(acetonitrile-κ<i>N</i>)di-μ-thiocyanato- κ^2^<i>N</i>,<i>S</i>;κ^2^<i>S</i>,<i>N</i>-nickel(II)]","","- C6 H6 N4 Ni S2 -","- C6 H6 N4 Ni S2 -","- C24 H24 N16 Ni4 S8 -","4","1","IM2264","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Poly[bis(acetonitrile-κ<i>N</i>)di-μ-thiocyanato-κ^2^<i>N</i>,<i>S</i>;κ^2^<i>S</i>,<i>N</i>-nickel(II)]","Acta Crystallographica Section E","2011","67","3","m309","","10.1107/S1600536811004132","","","0.71073","MoKα","","0.0319","0.027","","","0.0497","0.0505","","","","","","1.289","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229468","10.8442","0.0009","11.431","0.001","19.2701","0.0016","90","","90","","90","","2388.7","0.3","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1'-Methyl-4'-(1-naphthyl)-1'',2'',3'',4''-tetrahydroindane-2-spiro-2'- pyrrolidine-3'-spiro-2''-naphthalene-1,3,1''-trione","","- C32 H25 N O3 -","- C32 H25 N O3 -","- C128 H100 N4 O12 -","4","1","NG5116","Selvanayagam, S.; Sridhar, B.; Ravikumar, K.; Saravanan, P.; Raghunathan, R.","1'-Methyl-4'-(1-naphthyl)-1'',2'',3'',4''-tetrahydroindane-2-spiro-2'-pyrrolidine-3'-spiro-2''-naphthalene-1,3,1''-trione","Acta Crystallographica Section E","2011","67","3","o629","","10.1107/S1600536811004880","","","0.71073","MoKα","","0.0432","0.0391","","","0.1086","0.1122","","","","","","1.101","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229469","7.2823","0.0003","11.1519","0.0007","14.9834","0.0007","90","","90","","90","","1216.82","0.11","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Dimethylamino-9,10-anthraquinone","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","NG5119","Niedziałkowski, Paweł; Narloch, Joanna; Trzybiński, Damian; Ossowski, Tadeusz","1-Dimethylamino-9,10-anthraquinone","Acta Crystallographica Section E","2011","67","3","o723","","10.1107/S1600536811006829","","","0.71073","MoKα","","0.0566","0.0369","","","0.075","0.0794","","","","","","0.955","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229491","7.5277","0.0013","12.9969","0.0019","18.438","0.003","90","","90","","90","","1803.9","0.5","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(9,9-Diethyl-9<i>H</i>-fluoren-2-yl)-1-benzofuran","","- C25 H22 O -","- C25 H22 O -","- C100 H88 O4 -","4","1","RN2074","Huang, Ping-Hsin; Lin, Kai-Ling; Wen, Yuh-Sheng","2-(9,9-Diethyl-9<i>H</i>-fluoren-2-yl)-1-benzofuran","Acta Crystallographica Section E","2011","67","3","o743","","10.1107/S1600536811006957","","","0.71073","MoKα","","0.0913","0.0575","","","0.1234","0.146","","","","","","1.027","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229502","8.0024","0.0002","9.1279","0.0002","15.9767","0.0003","90","","90","","90","","1167.02","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(1<i>H</i>-indole-3-carboxamido)acetate","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","RZ2556","Hu, Fang; Zheng, Le; Zeng, Xiang Chao; Li, Kai Ping","Methyl 2-(1<i>H</i>-indole-3-carboxamido)acetate","Acta Crystallographica Section E","2011","67","3","o742","","10.1107/S1600536811006660","","","1.54178","CuKα","","0.0296","0.0291","","","0.0765","0.0771","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229504","7.935","0.0005","8.461","0.0004","19.004","0.0011","90","","90","","90","","1275.89","0.12","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Chloro-1-[4-(2-fluorobenzyl)piperazin-1-yl]ethanone","","- C13 H16 Cl F N2 O -","- C13 H16 Cl F N2 O -","- C52 H64 Cl4 F4 N8 O4 -","4","1","SI2316","Zhang, Cunlong; Zhai, Xin; Wan, Furen; Gong, Ping; Jiang, Yuyang","2-Chloro-1-[4-(2-fluorobenzyl)piperazin-1-yl]ethanone","Acta Crystallographica Section E","2011","67","3","o708","","10.1107/S1600536811006180","","","0.71069","MoKα","","0.0438","0.0352","","","0.0795","0.0848","","","","","","1.005","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229518","9.515","0.0019","10.885","0.002","12.594","0.003","90","","90","","90","","1304.4","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9a-Hydroxy-3,8a-dimethyl-5-methylene-4,4a,5,6,9,9a-hexahydronaphtho[2,3- <i>b</i>]furan-2(8a<i>H</i>)-one","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","SJ5106","Liu, Wen-Hong; He, Jie; Ding, Zhi-Shan; Song, Zhong-Cheng; Zhan, Zha-Jun","9a-Hydroxy-3,8a-dimethyl-5-methylene-4,4a,5,6,9,9a-hexahydronaphtho[2,3-<i>b</i>]furan-2(8a<i>H</i>)-one","Acta Crystallographica Section E","2011","67","3","o730","o731","10.1107/S1600536811006519","","","0.71073","MoKα","","0.0425","0.035","","","0.087","0.0913","","","","","","1.056","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229535","14.616","0.003","15.213","0.003","26.735","0.006","90","","90","","90","","5945","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tris{4-[(2<i>H</i>-tetrazol-5-yl)methyl]morpholinium} dodecatungstophosphate hexahydrate","","- C18 H48 N15 O49 P W12 -","- C18 H48 N15 O49 P W12 -","- C72 H192 N60 O196 P4 W48 -","4","1","WM2435","Feizyzadeh, Babak; Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Gholizadeh, Ahmad","Tris{4-[(2<i>H</i>-tetrazol-5-yl)methyl]morpholinium} dodecatungstophosphate hexahydrate","Acta Crystallographica Section E","2011","67","3","m301","m302","10.1107/S1600536811003734","","","0.71073","MoKα","","0.0794","0.0522","","","0.0938","0.1041","","","","","","0.998","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229550","6.3306","0.0002","16.9244","0.0006","22.5787","0.0008","90","","90","","90","","2419.12","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-{2-[(4<i>S</i>)-4-<i>tert</i>-Butyl-4,5-dihydro-1,3-oxazol- 2-yl]phenyl}-5,6-diphenyl-1,2,4-triazin-3-amine","","- C28 H27 N5 O -","- C28 H27 N5 O -","- C112 H108 N20 O4 -","4","1","XU5158","Karczmarzyk, Zbigniew; Wolińska, Ewa; Fruziński, Andrzej","<i>N</i>-{2-[(4<i>S</i>)-4-<i>tert</i>-Butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl}-5,6-diphenyl-1,2,4-triazin-3-amine","Acta Crystallographica Section E","2011","67","3","o651","","10.1107/S1600536811005411","","","1.54178","CuKα","","0.0928","0.0501","","","0.1115","0.1343","","","","","","1.054","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229564","14.7037","0.0011","16.6601","0.0012","18.9258","0.0014","90","","90","","90","","4636.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","12b-acetoxy-12-(3-fluorobenzoyloxy)-4,6-bis(2,2,2-trichloroethoxycarbonyl)- 1,2a,3,4,4a,6,9,10,11,12,12a,12b-decahydro-9,11-dihydroxy-4a,8,13,13- tetramethyl-7,11-methano-5<i>H</i>-cyclodeca[3,4]benz[1,2-<i>b</i>]oxet-5-one monohydrate ethyl acetate monosolvate","(1<i>S</i>,2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,7<i>S</i>,8<i>S</i>, 10<i>R</i>,13<i>S</i>)-2-Debenzoyl-10-deacetyl-2-(3-fluorobenzoyl)-7,10- bis(2,2,2-trichloroethoxycarbonyl)baccatin III monohydrate ethyl acetate monosolvate","","- C39 H47 Cl6 F O17 -","- C39 H47 Cl6 F O17 -","- C156 H188 Cl24 F4 O68 -","4","1","ZS2080","Zhang, Chen; Xie, Cheng; Chang, Jun; Lu, Hong-Fu; Sun, Xun","(1<i>S</i>,2<i>S</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,7<i>S</i>,8<i>S</i>,10<i>R</i>,13<i>S</i>)-2-Debenzoyl-10-deacetyl-2-(3-fluorobenzoyl)-7,10-bis(2,2,2-trichloroethoxycarbonyl)baccatin III ethyl acetate monosolvate monohydrate","Acta Crystallographica Section E","2011","67","3","o547","","10.1107/S1600536811002790","","","0.71073","MoKα","","0.0777","0.0514","","","0.1064","0.1154","","","","","","0.907","","","","has coordinates,has disorder,has Fobs","176789","2020-10-21","18:00:00",""
"2229615","8.7153","0.0016","9.1978","0.0017","19.759","0.004","90","","90","","90","","1583.9","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dibromido[(1<i>R</i>,2<i>R</i>,<i>N</i>^1^<i>S</i>)-<i>N</i>-(pyridin-2- ylmethyl)cyclohexane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cadmium","","- C12 H19 Br2 Cd N3 -","- C12 H19 Br2 Cd N3 -","- C48 H76 Br8 Cd4 N12 -","4","1","DN2658","Yin, Run-Ting; Cao, Zhe; Cheng, Lin","Dibromido[(1<i>R</i>,2<i>R</i>,<i>N</i>^1^<i>S</i>)-<i>N</i>-(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']cadmium","Acta Crystallographica Section E","2011","67","4","m392","","10.1107/S1600536811007033","","","0.71073","MoKα","","0.0565","0.0333","","","0.0466","0.0519","","","","","","0.964","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229620","4.9987","0.0002","13.42","0.0005","21.5876","0.0008","90","","90","","90","","1448.15","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-4-{[2-(2-Furylcarbonyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","DN2664","Xu, Jun; Yue, Xiao-yu","(<i>E</i>)-4-{[2-(2-Furylcarbonyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate","Acta Crystallographica Section E","2011","67","4","o880","","10.1107/S1600536811008932","","","0.71073","MoKα","","0.0475","0.0366","","","0.0965","0.1049","","","","","","1.038","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229622","10.975","0.002","12.255","0.003","17.741","0.004","90","","90","","90","","2386.1","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-[1-(2,6-Dichloro-3,4,5-trimethoxybenzoyl)pyrrolidin-2-yl]-\ 4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazole-1-oxyl 3-oxide","","- C21 H28 Cl2 N3 O6 -","- C21 H28 Cl2 N3 O6 -","- C84 H112 Cl8 N12 O24 -","4","1","DN2666","Wang, Hai-Bo; Xiang, Zhuo; Jing, Lin-Lin; Tian, Min; Sun, Xiao-Li","(<i>R</i>)-2-[1-(2,6-Dichloro-3,4,5-trimethoxybenzoyl)pyrrolidin-2-yl]-4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-imidazole-1-oxyl 3-oxide","Acta Crystallographica Section E","2011","67","4","o985","o986","10.1107/S1600536811010270","","","0.71073","MoKα","","0.1218","0.0533","","","0.103","0.1305","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229644","9.576","0.0008","11.3542","0.0011","15.7852","0.0013","90","","90","","90","","1716.3","0.3","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)- 3-phenylprop-2-en-1-one","","- C21 H26 O -","- C21 H26 O -","- C84 H104 O4 -","4","1","FJ2408","Tebbaa, Mohamed; Benharref, Ahmed; Berraho, Moha; Daran, Jean-Claude; Akssira, Mohamed; Elhakmaoui, Ahmed","1-(4a,8-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2011","67","4","o969","","10.1107/S1600536811010452","","","0.71073","MoKα","","0.0418","0.0373","","","0.0857","0.0892","","","","","","1.045","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229650","8.85","0.004","12.019","0.005","28.242","0.012","90","","90","","90","","3004","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","12,12'-[2,2'-Oxybis(ethane-2,1-diyl)bis(oxy)]bis[(<i>R</i>~p~)- 4-bromo[2.2]paracyclophane]","","- C36 H36 Br2 O3 -","- C36 H36 Br2 O3 -","- C144 H144 Br8 O12 -","4","1","FY2003","Hong, Bing; Ma, Yudao; Duan, Wenzeng; He, Fuyan; Zhao, Lei","12,12'-[2,2'-Oxybis(ethane-2,1-diyl)bis(oxy)]bis[(<i>R</i>~p~)-4-bromo[2.2]paracyclophane]","Acta Crystallographica Section E","2011","67","4","o950","","10.1107/S1600536811010051","","","0.71073","MoKα","","0.0398","0.0297","","","0.0649","0.0684","","","","","","1.018","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229745","12.7918","0.0006","13.7842","0.0007","16.0902","0.0008","90","","90","","90","","2837.1","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>R</i>)-20,24-Epoxydammarane- 3,6,12,25-tetraol","","- C30 H52 O5 -","- C30 H52 O5 -","- C120 H208 O20 -","4","1","LH5198","Zhang, Lei; Guo, Huan-Mei; Li, Wen-Juan; Gao, Yi-Jun; Meng, Qing-Guo","(3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>R</i>)-20,24-Epoxydammarane-3,6,12,25-tetraol","Acta Crystallographica Section E","2011","67","4","o846","","10.1107/S1600536811008609","","","0.71073","MoKα","","0.0443","0.0416","","","0.1107","0.1134","","","","","","1.046","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229753","6.5372","0.0005","12.3141","0.001","23.0274","0.0019","90","","90","","90","","1853.7","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(2-amino-3-carboxypyridinium) sulfate trihydrate","","- C12 H20 N4 O11 S -","- C12 H20 N4 O11 S -","- C48 H80 N16 O44 S4 -","4","1","LH5219","Berrah, Fadila; Ouakkaf, Amira; Bouacida, Sofiane; Roisnel, Thierry","Bis(2-amino-3-carboxypyridinium) sulfate trihydrate","Acta Crystallographica Section E","2011","67","4","o953","o954","10.1107/S1600536811010191","","","0.71073","MoKα","","0.0408","0.0307","","","0.0729","0.0785","","","","","","1.055","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229762","6.3021","0.0003","9.0481","0.0004","27.3935","0.0017","90","","90","","90","","1562.03","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(4-Methoxyanthracen-1-yl)-2-phenyldiazene","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","NC2221","Crochet, Aurelien; Fromm, Katharina M.; Kurteva, Vanya; Antonov, Liudmil","(<i>E</i>)-1-(4-Methoxyanthracen-1-yl)-2-phenyldiazene","Acta Crystallographica Section E","2011","67","4","o993","","10.1107/S1600536811010932","","","0.71073","MoKα","","0.066","0.0474","","","0.0818","0.0864","","","","","","1.099","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229775","7.2437","0.0005","7.4244","0.0005","20.4794","0.0015","90","","90","","90","","1101.38","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","S-Norketamine","(<i>S</i>)-2-Amino-2-(2-chlorophenyl)cyclohexanone","","- C12 H14 Cl N O -","- C12 H14 Cl N O -","- C48 H56 Cl4 N4 O4 -","4","1","NK2080","Biermann, Manfred; Hardcastle, Kenneth I.; Moskalev, Nikolai V.; Crooks, Peter A.","(<i>S</i>)-2-Amino-2-(2-chlorophenyl)cyclohexanone","Acta Crystallographica Section E","2011","67","4","o936","","10.1107/S1600536811009950","","","1.54178","CuKα","","0.0228","0.0225","","","0.0584","0.0587","","","","","","1.011","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229819","7.8695","0.0016","11.893","0.002","28.346","0.006","90","","90","","90","","2653","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl 3-benzyl-3-[(<i>E</i>)-2-benzylidene-3-oxocyclopentyl]-2- oxoindoline-1-carboxylate","","- C32 H31 N O4 -","- C32 H31 N O4 -","- C128 H124 N4 O16 -","4","1","RZ2560","Qiao, Zhen; Liu, Li; Wang, Dong","<i>tert</i>-Butyl 3-benzyl-3-[(<i>E</i>)-2-benzylidene-3-oxocyclopentyl]-2-oxoindoline-1-carboxylate","Acta Crystallographica Section E","2011","67","4","o858","","10.1107/S160053681100691X","","","0.71073","MoKα","","0.0624","0.0549","","","0.1275","0.1316","","","","","","1.052","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229823","6.0882","0.0004","9.1862","0.0005","21.08","0.0012","90","","90","","90","","1178.95","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Methoxy-2-[(<i>E</i>)-phenyliminomethyl]phenol","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","RZ2565","Yu, Yu-Ye","6-Methoxy-2-[(<i>E</i>)-phenyliminomethyl]phenol","Acta Crystallographica Section E","2011","67","4","o889","","10.1107/S1600536811009135","","","0.71073","MoKα","","0.0579","0.0455","","","0.1169","0.1403","","","","","","1.015","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229865","11.826","0.008","13.376","0.008","13.479","0.008","90","","90","","90","","2132","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>^1^,<i>N</i>^1^-Dimethylpropane-1,2-diaminium bis(6-carboxypyridine-2-carboxylate) monohydrate","","- C19 H26 N4 O9 -","- C19 H26 N4 O9 -","- C76 H104 N16 O36 -","4","1","VM2081","Aghabozorg, Hossein; Foroughian, Mahsa; Foroumadi, Alireza; Bruno, Giuseppe; Amiri Rudbari, Hadi","<i>N</i>^1^,<i>N</i>^1^-Dimethylpropane-1,2-diaminium bis(6-carboxypyridine-2-carboxylate) monohydrate","Acta Crystallographica Section E","2011","67","4","o932","o933","10.1107/S1600536811009287","","","0.71073","MoKα","","0.0297","0.0286","","","0.0825","0.0838","","","","","","1.067","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229892","12.919","0.003","15.748","0.003","16.045","0.003","90","","90","","90","","3264.3","1.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","14-Benzoylmesaconine hydrochloride methanol monosolvate","8-benzoyloxy-4,9,11,11a-tetrahydroxy-6,10,13-trimethoxy-3-methoxymethyl- 1-methyltetradecahydro-1<i>H</i>-3,6a,12-(epiethane-1,1,2-triyl)-7,9- methanonaphtho[2,3-<i>b</i>]azocin-1-ium chloride methanol monosolvate","","- C32 H48 Cl N O11 -","- C32 H48 Cl N O11 -","- C128 H192 Cl4 N4 O44 -","4","1","ZL2352","Mu, Yan; Li, Lin; Wei, Hai-Liu; Kuang, Tong-Chun; Hu, Song-Qing","14-Benzoylmesaconine hydrochloride methanol monosolvate","Acta Crystallographica Section E","2011","67","4","o974","o975","10.1107/S1600536811010300","","","0.71073","MoKα","","0.097","0.0468","","","0.0979","0.1507","","","","","","1.095","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229908","8.4395","0.0001","11.3701","0.0002","15.3559","0.0002","90","","90","","90","","1473.52","0.04","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Ethyl-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran","","- C17 H15 F O3 S -","- C17 H15 F O3 S -","- C68 H60 F4 O12 S4 -","4","1","BH2350","Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk","5-Ethyl-3-(3-fluorophenylsulfonyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2011","67","5","o1278","","10.1107/S1600536811015443","","","0.71073","MoKα","","0.0341","0.0316","","","0.0754","0.0769","","","","","","1.089","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229920","5.6424","0.0002","15.5592","0.0007","16.9097","0.0008","90","","90","","90","","1484.52","0.11","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-5-phenylsulfonylmethyl- 3,4-dihydro-2<i>H</i>-pyrrole 1-oxide","","- C14 H17 N O5 S -","- C14 H17 N O5 S -","- C56 H68 N4 O20 S4 -","4","1","BT5495","Flores, Mari Fe; Garcia, P.; M. Garrido, Narciso; Sanz, Francisca; Diez, David","(3<i>R</i>,4<i>S</i>)-3,4-Isopropylidenedioxy-5-phenylsulfonylmethyl-3,4-dihydro-2<i>H</i>-pyrrole 1-oxide","Acta Crystallographica Section E","2011","67","5","o1115","","10.1107/S1600536811010737","","","1.54178","CuKα","","0.0428","0.0344","","","0.0787","0.0835","","","","","","1.059","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229923","5.8132","0.0001","13.388","0.0003","21.3298","0.0005","90","","90","","90","","1660.04","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,5α,6β-Trihydroxyandrostan-17-one","","- C19 H30 O4 -","- C19 H30 O4 -","- C76 H120 O16 -","4","1","BT5502","Andrade, L.C.R.; de Almeida, M.J.B.M.; Paixão, J.A.; Carvalho, J.F.S.; Sá e Melo, M.L.","3β,5α,6β-Trihydroxyandrostan-17-one","Acta Crystallographica Section E","2011","67","5","o1056","o1057","10.1107/S1600536811011706","","","0.71073","MoKα","","0.0524","0.0373","","","0.0905","0.0975","","","","","","1.04","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229948","11.5704","0.0014","12.2585","0.0015","15.3757","0.0019","90","","90","","90","","2180.8","0.5","296","1","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>'-[(1<i>S</i>,2<i>S</i>)-Cyclohexane-1,2-diyl]bis(4- methylbenzenesulfonamide)","","- C20 H26 N2 O4 S2 -","- C20 H26 N2 O4 S2 -","- C80 H104 N8 O16 S8 -","4","1","CV5062","Hong, Yi-Ling; Tan, Hua-Jie; Shen, Liang","<i>N</i>,<i>N</i>'-[(1<i>S</i>,2<i>S</i>)-Cyclohexane-1,2-diyl]bis(4-methylbenzenesulfonamide)","Acta Crystallographica Section E","2011","67","5","o1121","","10.1107/S1600536811012372","","","0.71073","MoKα","","0.041","0.0353","","","0.089","0.0938","","","","","","1.001","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229953","8.305","0.003","11.064","0.004","22.557","0.009","90","","90","","90","","2072.7","1.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-<i>tert</i>-Butyl <i>O</i>-2-isopropyl-5-methylcyclohexyl phenylphosphonamidate","","- C20 H34 N O2 P -","- C20 H34 N O2 P -","- C80 H136 N4 O8 P4 -","4","1","CV5071","Liu, Li-Juan; Meng, Fan-Jie; Xu, Hao; Wang, Daqi; Zhao, Chang-Qiu","<i>N</i>-<i>tert</i>-Butyl <i>O</i>-2-isopropyl-5-methylcyclohexyl phenylphosphonamidate","Acta Crystallographica Section E","2011","67","5","o1244","","10.1107/S1600536811012864","","","0.71073","MoKα","","0.1203","0.0533","","","0.1043","0.1297","","","","","","1.021","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229968","8.1389","0.0003","12.8748","0.0004","21.5528","0.0008","90","","90","","90","","2258.45","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-Dibenzyl-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","","- C29 H20 N2 O3 -","- C29 H20 N2 O3 -","- C116 H80 N8 O12 -","4","1","DN2679","Afrakssou, Zahra; Kandri Rodi, Youssef; Capet, Frédéric; Essassi, El Mokhtar; El Ammari, Lahcen","1,3-Dibenzyl-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","Acta Crystallographica Section E","2011","67","5","o1253","o1254","10.1107/S1600536811015078","","","0.71073","MoKα","","0.0541","0.0394","","","0.0981","0.1084","","","","","","1.051","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2229972","6.9718","0.0004","11.8902","0.0006","24.7024","0.0013","90","","90","","90","","2047.73","0.19","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[[[2-(2-pyridyl-κ<i>N</i>)-1<i>H</i>-benzimidazole- κ<i>N</i>^3^]copper(II)]-μ-L-methioninato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>'] perchlorate]","","- C17 H19 Cl Cu N4 O6 S -","- C17 H19 Cl Cu N4 O6 S -","- C68 H76 Cl4 Cu4 N16 O24 S4 -","4","1","FF2004","Lu, Yan-Mei; Le, Xue-Yi","<i>catena</i>-Poly[[[[2-(2-pyridyl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]copper(II)]-μ-<small>L</small>-methioninato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>'] perchlorate]","Acta Crystallographica Section E","2011","67","5","m642","m643","10.1107/S1600536811014000","","","0.71073","MoKα","","0.0599","0.0418","","","0.1026","0.1109","","","","","","1.05","","","","has coordinates,has Fobs","176789","2020-10-21","18:00:00",""
"2229980","4.1459","0.0002","9.6731","0.0005","18.8178","0.0009","90","","90","","90","","754.66","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","α-Bromo-acetophenone","2-Bromo-1-phenylethanone","","- C8 H7 Br O -","- C8 H7 Br O -","- C32 H28 Br4 O4 -","4","1","FY2008","Betz, Richard; McCleland, Cedric; Marchand, Harold","2-Bromo-1-phenylethanone","Acta Crystallographica Section E","2011","67","5","o1207","","10.1107/S1600536811014644","","","0.71073","MoKα","","0.0332","0.0289","","","0.0703","0.0721","","","","","","1.075","","","","has coordinates,has Fobs","201978","2020-10-21","18:00:00",""
"2230019","4.8042","0.0001","14.9134","0.0004","18.4793","0.0005","90","","90","","90","","1323.99","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl (2<i>E</i>)-2-(2<i>H</i>-1,3-benzodioxol-5-ylmethylidene)-4-chloro-3- oxobutanoate","","- C14 H13 Cl O5 -","- C14 H13 Cl O5 -","- C56 H52 Cl4 O20 -","4","1","HG5017","Zukerman-Schpector, Julio; Abd Salim, Siti Nadiah; Moran, Paulo J. S.; de Paula, Bruno R. S.; Rodrigues, J. Augusto R.; Tiekink, Edward R. T.","Ethyl (2<i>E</i>)-2-(2<i>H</i>-1,3-benzodioxol-5-ylmethylidene)-4-chloro-3-oxobutanoate","Acta Crystallographica Section E","2011","67","5","o1044","","10.1107/S1600536811011780","","","0.71073","MoKα","","0.0352","0.0305","","","0.0711","0.0734","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230035","5.8827","0.0005","8.3326","0.0007","51.909","0.004","90","","90","","90","","2544.5","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-{(<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-Inden-3-yl)ethyl]iminomethyl}-1<i>H</i>- imidazole","","- C15 H15 N3 -","- C15 H15 N3 -","- C120 H120 N24 -","8","2","IM2276","Li, Zhao; Tian, Chong; Nie, Wanli; Borzov, Maxim V.","2-{(<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-Inden-3-yl)ethyl]iminomethyl}-1<i>H</i>-imidazole","Acta Crystallographica Section E","2011","67","5","o1165","o1166","10.1107/S1600536811013286","","","0.71073","MoKα","","0.0635","0.0443","","","0.1049","0.1131","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230050","4.9018","0.0008","15.543","0.002","18.846","0.002","90","","90","","90","","1435.9","0.3","113","","113","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3,4-bis(cyclopropylmethoxy)benzoate","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","JH2279","Cheng, Xian-Chao; Hou, Jing-Jing; Xie, Cheng-Zhi; Wang, Run-Ling; Xu, Wei-Ren","Methyl 3,4-bis(cyclopropylmethoxy)benzoate","Acta Crystallographica Section E","2011","67","5","o1130","","10.1107/S1600536811013158","","","0.71075","MoKα","","","0.0406","","","","0.1135","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230084","3.9002","0.0011","10.111","0.003","25.143","0.007","90","","90","","90","","991.5","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methylsulfanyl-6-(4-pyridyl)-1,3,5-triazin-2-amine","","- C9 H9 N5 S -","- C9 H9 N5 S -","- C36 H36 N20 S4 -","4","1","NG5131","Wu, Ya-Pan; Tang, Long; Fu, Feng; Liu, Qi-Rui","4-Methylsulfanyl-6-(4-pyridyl)-1,3,5-triazin-2-amine","Acta Crystallographica Section E","2011","67","5","o1143","","10.1107/S1600536811013171","","","0.71073","MoKα","","0.0633","0.0458","","","0.0896","0.096","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230104","7.0184","0.0002","13.2654","0.0003","21.5542","0.0008","90","","90","","90","","2006.74","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,6-Bis[(<i>S</i>)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C100 H92 N12 O8 -","4","1","OM2419","Möller, Konstanze; Junge, Kathrin; Spannenberg, Anke; Beller, Matthias","2,6-Bis[(<i>S</i>)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine","Acta Crystallographica Section E","2011","67","5","o1181","","10.1107/S1600536811014061","","","0.71073","MoKα","","0.0412","0.0293","","","0.0517","0.0534","","","","","","0.855","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230133","5.7422","0.0006","9.8022","0.001","25.504","0.003","90","","90","","90","","1435.5","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(4-Aminophenyl)-3-(naphthalen-2-yl)prop-2-en-1-one","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","RZ2579","Kobkeatthawin, Thawanrat; Chantrapromma, Suchada; Saewan, Nisakorn; Fun, Hoong-Kun","(<i>E</i>)-1-(4-Aminophenyl)-3-(naphthalen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","5","o1204","o1205","10.1107/S1600536811014024","","","0.71073","MoKα","","0.0711","0.0571","","","0.1139","0.1193","","","","","","1.144","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230137","4.4403","0.0003","11.4686","0.0008","31.2763","0.0019","90","","90","","90","","1592.72","0.18","100.01","0.01","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(2-{2-[2-(2-Nitro-1<i>H</i>-imidazol-1-yl)ethoxy]ethoxy}ethoxy)benzaldehyde","","- C16 H19 N3 O6 -","- C16 H19 N3 O6 -","- C64 H76 N12 O24 -","4","1","RZ2583","Li, Shu-Xian; Zhang, Da-Hai; Fun, Hoong-Kun; Hemamalini, Madhukar","4-(2-{2-[2-(2-Nitro-1<i>H</i>-imidazol-1-yl)ethoxy]ethoxy}ethoxy)benzaldehyde","Acta Crystallographica Section E","2011","67","5","o1206","","10.1107/S1600536811014322","","","0.71073","MoKα","","0.0625","0.0474","","","0.089","0.0937","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230156","7.3672","0.0009","8.8534","0.0011","16.0632","0.0019","90","","90","","90","","1047.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-[5-Methyl-3-(3-methylthiophen-2-yl)-4,5-dihydroisoxazol-5-yl]methanol","","- C10 H13 N O2 S -","- C10 H13 N O2 S -","- C40 H52 N4 O8 S4 -","4","1","TK2733","Ko, Young Kwan; Ryu, Jae Wook; Koo, Dong Wan; Woo, Jae Choon; Kim, Chong-Hyeak","(<i>S</i>)-[5-Methyl-3-(3-methylthiophen-2-yl)-4,5-dihydroisoxazol-5-yl]methanol","Acta Crystallographica Section E","2011","67","5","o1040","","10.1107/S1600536811011639","","","0.71073","MoKα","","0.0593","0.0466","","","0.1385","0.1489","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230175","7.4932","0.0002","9.2679","0.0002","36.9165","0.0008","90","","90","","90","","2563.71","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-cyano(3-phenoxyphenyl)methyl (<i>Z</i>)-(1<i>R</i>,3<i>S</i>)-2,2-dimethyl-3-{2-[2,2,2-trifluoro-1- (trifluoromethyl)ethoxycarbonyl]vinyl}cyclopropane-1-carboxylate","","- C26 H21 F6 N O5 -","- C26 H21 F6 N O5 -","- C104 H84 F24 N4 O20 -","4","1","WN2431","Yang, Hojin; Kim, Tae Ho; Park, Ki-Min; Kim, Jineun","Acrinathrin: (<i>S</i>)-cyano(3-phenoxyphenyl)methyl (<i>Z</i>)-(1<i>R</i>,3<i>S</i>)-2,2-dimethyl-3-{2-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxycarbonyl]vinyl}cyclopropane-1-carboxylate","Acta Crystallographica Section E","2011","67","5","o1275","","10.1107/S1600536811014760","","","0.71073","MoKα","","0.0613","0.0428","","","0.091","0.0987","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230182","7.7712","0.0003","10.8413","0.0003","18.9762","0.0004","90","","90","","90","","1598.74","0.08","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-Phenyl-4-propyl-\ 3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epithioisoindole-1,3-dione 8-oxide","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","XU5179","Demircan, Aydın; Şahin, Ertan; Beyazova, Gözde; Karaaslan, Muhsin; Hökelek, Tuncer","(3a<i>R</i>,4<i>S</i>,7<i>R</i>,7a<i>S</i>)-2-Phenyl-4-propyl-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epithioisoindole-1,3-dione 8-oxide","Acta Crystallographica Section E","2011","67","5","o1085","o1086","10.1107/S1600536811012876","","","0.71073","MoKα","","0.0599","0.0473","","","0.1024","0.1075","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230194","9.3782","0.0003","12.3467","0.0005","21.9651","0.0008","90","","90","","90","","2543.34","0.16","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triethylammonium (<i>S</i>)-(-)-<i>O</i>-[1-(2-naphthyl)ethyl] (4-methoxyphenyl)dithiophosphonate","","- C25 H34 N O2 P S2 -","- C25 H34 N O2 P S2 -","- C100 H136 N4 O8 P4 S8 -","4","1","XU5201","Solak, Samet; Karakuş, Mehmet; Tercan, Barış; Hökelek, Tuncer","Triethylammonium (<i>S</i>)-({-})-<i>O</i>-[1-(2-naphthyl)ethyl] (4-methoxyphenyl)dithiophosphonate","Acta Crystallographica Section E","2011","67","5","o1260","o1261","10.1107/S1600536811015820","","","0.71073","MoKα","","0.04","0.0356","","","0.0894","0.0937","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230195","6.9775","0.0003","12.4235","0.0005","39.148","0.0016","90","","90","","90","","3393.5","0.2","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β-Acetoxy-12-oxoolean-28-oic acid benzyl ester","","- C39 H56 O5 -","- C39 H56 O5 -","- C156 H224 O20 -","4","1","YK2003","Hu, Jun-yi; Xu, Ying-qian; Xu, Guo-bo; Wang, Kang; Lei, Peng","3β-Acetoxy-12-oxoolean-28-oic acid benzyl ester","Acta Crystallographica Section E","2011","67","5","o1027","","10.1107/S1600536811010968","","","0.71073","MoKα","","0.0565","0.0498","","","0.1106","0.1143","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230196","5.7326","0.0002","12.343","0.0003","16.7794","0.0004","90","","90","","90","","1187.27","0.06","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzyl(phenyl)phosphinic acid","","- C13 H13 O2 P -","- C13 H13 O2 P -","- C52 H52 O8 P4 -","4","1","ZB2011","Burrow, Robert A.; Siqueira da Silva, Rubia M.","Benzyl(phenyl)phosphinic acid","Acta Crystallographica Section E","2011","67","5","o1045","","10.1107/S1600536811008245","","","0.71073","MoKα","","0.0439","0.0388","","","0.1044","0.1076","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230203","5.3136","0.0003","6.7551","0.0003","23.3958","0.0011","90","","90","","90","","839.77","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Diazo-<i>N</i>-[(2<i>S</i>)-1-hydroxypropan-2-yl]-2-oxopropanamide","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","ZL2366","Chen, Xiao-na; Hu, Wen-hao; Li, Xiao-liu; Xu, Hua-dong","3-Diazo-<i>N</i>-[(2<i>S</i>)-1-hydroxypropan-2-yl]-2-oxopropanamide","Acta Crystallographica Section E","2011","67","5","o1192","","10.1107/S1600536811014413","","","0.71073","MoKα","","0.0418","0.0387","","","0.1191","0.1229","","","","","","1.17","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230210","9.144","0.0018","9.657","0.0019","28.073","0.006","90","","90","","90","","2478.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16-isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene- 5,13,14-trimethanol ethanol monosolvate","","- C26 H46 O4 -","- C26 H46 O4 -","- C104 H184 O16 -","4","1","ZS2101","Li, Jian; Rao, Xiao-ping; Shang, Shi-bin; Gao, Yan-qing","16-Isopropyl-5,9-dimethyltetracyclo[10.2.2.0^1,10^.0^4,9^]hexadec-15-ene-5,13,14-trimethanol ethanol monosolvate","Acta Crystallographica Section E","2011","67","5","o1076","","10.1107/S1600536811012207","","","0.71073","MoKα","","0.1053","0.0632","","","0.1542","0.1801","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230220","11.801","0.002","12.526","0.003","12.884","0.003","90","","90","","90","","1904.5","0.7","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","11,20-Dihydroxy-3-oxopregna-1,4-dien-21-oic acid monohydrate","","- C21 H30 O6 -","- C21 H30 O6 -","- C84 H120 O24 -","4","1","BH2337","Guo, Zhanqiang; Tang, Shengan; Duan, Hongquan","11,20-Dihydroxy-3-oxopregna-1,4-dien-21-oic acid monohydrate","Acta Crystallographica Section E","2011","67","6","o1290","","10.1107/S1600536811015224","","","0.71073","MoKα","","0.0381","0.035","","","0.083","0.0853","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230225","8.422","0.0017","9.295","0.0019","14.501","0.003","90","","90","","90","","1135.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4- yl)formamide","","- C12 H13 N3 O2 -","- C12 H13 N3 O2 -","- C48 H52 N12 O8 -","4","1","BQ2288","Wang, Hao-Wei; Yang, Ming-Ming; Lu, Qi-Sheng; Li, Fang-Shi","<i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)formamide","Acta Crystallographica Section E","2011","67","6","o1310","","10.1107/S1600536811015558","","","0.71073","MoKα","","0.1026","0.0635","","","0.1362","0.1578","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230228","7.3816","0.0004","10.2916","0.0007","18.312","0.001","90","","90","","90","","1391.13","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-Chloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C56 H56 Cl4 N4 O8 S4 -","4","1","BQ2299","Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme","4-Chloro-<i>N</i>-(2,6-dimethylphenyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","6","o1401","","10.1107/S160053681101717X","","","0.71073","MoKα","","0.0517","0.0359","","","0.0738","0.0794","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230299","7.8426","0.0001","10.5549","0.0011","14.6694","0.0003","90","","90","","90","","1214.3","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","proseptazine","4-(benzylamino)benzenesulfonamide","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","EZ2246","Gelbrich, Thomas; Haddow, Mairi F.; Griesser, Ulrich J.","Benzylsulfamide","Acta Crystallographica Section E","2011","67","6","o1551","o1552","10.1107/S1600536811019490","","","0.71073","MoKα","","0.0236","0.0228","","","0.0601","0.0605","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230300","6.8978","0.0014","9.953","0.002","13.713","0.003","90","","90","","90","","941.4","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(1<i>H</i>-Tetrazol-5-yl)-1<i>H</i>-indole monohydrate","","- C9 H9 N5 O -","- C9 H9 N5 O -","- C36 H36 N20 O4 -","4","1","FB2235","Cai, Xing-Wei; Lu, Hong-Fei; Zhou, Zhen","5-(1<i>H</i>-Tetrazol-5-yl)-1<i>H</i>-indole monohydrate","Acta Crystallographica Section E","2011","67","6","o1554","","10.1107/S1600536811018575","","","0.71073","MoKα","","0.066","0.0452","","","0.0976","0.1054","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230314","9.7132","0.0002","11.2624","0.0002","13.5369","0.0002","90","","90","","90","","1480.85","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[3-(3-sulfonatopyridin-1-ium-4-yl)propyl]pyridin-1-ium-3-sulfonate","","- C13 H14 N2 O6 S2 -","- C13 H14 N2 O6 S2 -","- C52 H56 N8 O24 S8 -","4","1","FL2337","Kuyinu, Ore; Purdy, Andrew P.; Butcher, Ray J.","Sulfonated 1,3-bis(4-pyridyl)propane","Acta Crystallographica Section E","2011","67","6","o1534","","10.1107/S1600536811018563","","","1.54178","CuKα","","0.0398","0.038","","","0.1042","0.1056","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230325","8.0376","0.0011","12.06","0.0017","20.324","0.003","90","","90","","90","","1970.1","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>S</i>)-[(<i>R</i>)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl] 2-ethynylcyclopropane-1-carboxylate","","- C26 H18 O3 -","- C26 H18 O3 -","- C104 H72 O12 -","4","1","GW2095","Fan, Jinlong; Qin, Zhaohai","(1<i>R</i>,2<i>S</i>)-[(<i>R</i>)-1-(2-Hydroxynaphthalen-1-yl)naphthalen-2-yl] 2-ethynylcyclopropane-1-carboxylate","Acta Crystallographica Section E","2011","67","6","o1342","","10.1107/S1600536811011627","","","1.54186","CuKα","","0.0336","0.0319","","","0.0723","0.0735","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230333","5.94","0.003","12.661","0.006","15.921","0.007","90","","90","","90","","1197.4","1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>*,3a<i>R</i>*)-3-(3-furanyl)-3a,4,5,6- tetrahydro-3a,7-dimethyl-2-benzofuran-1(3<i>H</i>)-one","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","1","HB5863","Gu, Hong-Mei; Xu, Hao; Zhong, Zhao-Zhao; Zhu, Hai-Liang; Li, Qing-Shan","Fraxinellone","Acta Crystallographica Section E","2011","67","6","o1472","","10.1107/S1600536811018393","","","0.71073","MoKα","","0.0651","0.0458","","","0.1034","0.1125","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230336","6.9419","0.0001","11.4409","0.0002","14.1703","0.0003","90","","90","","90","","1125.43","0.03","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(2-Methoxyphenyl)-1-benzofuran","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","HB5866","Pojarová, Michaela; Dušek, Michal; Jančařík, Andrej; Makrlík, Emanuel; Sedláková, Zdeňka","2-(2-Methoxyphenyl)-1-benzofuran","Acta Crystallographica Section E","2011","67","6","o1427","","10.1107/S1600536811017168","","","1.5418","CuKα","","0.0342","0.0334","","","0.0869","0.088","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230355","10.0971","0.0014","15.264","0.002","16.22","0.002","90","","90","","90","","2499.9","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","9-[(2-Chlorobenzyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9- tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol-6(8<i>H</i>)-one","","- C29 H28 Cl N O7 -","- C29 H28 Cl N O7 -","- C116 H112 Cl4 N4 O28 -","4","1","HG5035","Zhu, Tie-Liang; Jin, Jie-Ru; Chen, Hong; Chen, Li-Ting; Liu, Jing","9-[(2-Chlorobenzyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol-6(8<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1491","","10.1107/S1600536811018289","","","0.71073","MoKα","","0.034","0.0313","","","0.0643","0.0655","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230384","6.9393","0.0002","8.0885","0.0003","13.471","0.0004","90","","90","","90","","756.11","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5,6,7,8-Tetrahydroquinolin-8-one","","- C9 H9 N O -","- C9 H9 N O -","- C36 H36 N4 O4 -","4","1","JH2281","Lipińska, Teodozja M.; Karczmarzyk, Zbigniew; Wysocki, Waldemar; Gruba, Ewa; Fruziński, Andrzej","5,6,7,8-Tetrahydroquinolin-8-one","Acta Crystallographica Section E","2011","67","6","o1365","","10.1107/S1600536811016175","","","1.54178","CuKα","","0.0512","0.0502","","","0.1509","0.1533","","","","","","1.141","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230395","8.5343","0.0004","10.18","0.0005","22.0455","0.001","90","","90","","90","","1915.29","0.16","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>,<i>N</i>'-dimethyl- <i>N</i>''-(methylsulfonyl)phosphoric triamide","","- C17 H24 N3 O3 P S -","- C17 H24 N3 O3 P S -","- C68 H96 N12 O12 P4 S4 -","4","1","JJ2084","Pourayoubi, Mehrdad; Sadeghi Seraji, Sepideh; Bruno, Giuseppe; Amiri Rudbari, Hadi","<i>N</i>,<i>N</i>'-Dibenzyl-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>''-(methylsulfonyl)phosphoric triamide","Acta Crystallographica Section E","2011","67","6","o1285","","10.1107/S1600536811015832","","","0.71073","MoKα","","0.0339","0.0318","","","0.0922","0.0938","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230404","8.0141","0.0016","9.969","0.002","16.482","0.003","90","","90","","90","","1316.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6β-Hydroxyeremophil-7(11)-en-8β,12-olide","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","LD2005","Su, Ri-Na; Shi, Sha; Wu, Hai-Bo; Wang, Wen-Shu","6β-Hydroxyeremophil-7(11)-en-8β,12-olide","Acta Crystallographica Section E","2011","67","6","o1361","","10.1107/S1600536811016308","","","0.71073","MoKα","","0.0588","0.0466","","","0.1019","0.1074","","","","","","0.945","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230440","8.9811","0.0018","18.856","0.004","19.612","0.004","90","","90","","90","","3321.2","1.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis{μ-2-[(pyridin-2-yl)iminomethyl]phenolato}bis[(2- formylphenolato)copper(II)]","","- C38 H28 Cu2 N4 O6 -","- C38 H28 Cu2 N4 O6 -","- C152 H112 Cu8 N16 O24 -","4","1","PK2308","Chang, Hui-Chang; Cole, Jacqueline M.; Lin, Tze-Chia; Sylvester, Sven O.; Waddell, Paul G.","Bis{μ-2-[(pyridin-2-yl)iminomethyl]phenolato}bis[(2-formylphenolato)copper(II)]","Acta Crystallographica Section E","2011","67","6","m690","","10.1107/S1600536811015674","","","0.71073","MoKα","","0.0594","0.0568","","","","0.1059","","","","","","1.202","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230472","7.5438","0.0005","8.1631","0.0005","28.5953","0.0017","90","","90","","90","","1760.92","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Chloro-4-dimethylamino-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl- 5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one","","- C16 H26 Cl N O3 -","- C16 H26 Cl N O3 -","- C64 H104 Cl4 N4 O12 -","4","1","SI2350","Song, Xiu-Mei; Wang, Ning; Wang, Zhao-Yang; Feng, Zong-Cai","3-Chloro-4-dimethylamino-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","6","o1485","o1486","10.1107/S1600536811015583","","","0.71073","MoKα","","0.0787","0.0468","","","0.1022","0.1174","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230490","9.5293","0.0003","9.7885","0.0003","13.7524","0.0004","90","","90","","90","","1282.79","0.07","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5,8-Dimethyl-3-methylene-2-oxo-3,3a,4,5,5a,6,8a,8b-octahydro- 2<i>H</i>-1-oxa-s-indacene-5-carbaldehyde","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","SJ5146","Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; Daran, Jean-Claude; Akssira, Mohamed; Elhakmaoui, Ahmed","5,8-Dimethyl-3-methylene-2-oxo-3,3a,4,5,5a,6,8a,8b-octahydro-2<i>H</i>-1-oxa-s-indacene-5-carbaldehyde","Acta Crystallographica Section E","2011","67","6","o1479","","10.1107/S1600536811018344","","","0.71073","MoKα","","0.0351","0.0308","","","0.0808","0.0848","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230506","6.6028","0.0008","14.9207","0.0018","16.3505","0.0019","90","","90","","90","","1610.8","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Methyl-<i>N</i>-phenyl-2-(quinolin-8-yloxy)acetamide monohydrate","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","VM2091","Zhi, Li-Hua; Wu, Wei-Na; Li, Shu; Li, Yun-Long; Cai, Xiao-Dong","<i>N</i>-Methyl-<i>N</i>-phenyl-2-(quinolin-8-yloxy)acetamide monohydrate","Acta Crystallographica Section E","2011","67","6","o1420","","10.1107/S1600536811017181","","","0.71073","MoKα","","0.053","0.0389","","","0.0932","0.1009","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230526","9.5423","0.0006","13.4727","0.0009","18.4251","0.0013","90","","90","","90","","2368.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Neoline","(1α,6α,14α,16β)-<i>N</i>-ethyl-6,16- dimethoxy-4-methoxymethylaconitane-1,8,14-triol","","- C24 H39 N O6 -","- C24 H39 N O6 -","- C96 H156 N4 O24 -","4","1","XU5165","Liu, Wei; Gou, Xiong-Jun; Song, Qin; Chen, Feng-Zheng","Neoline from <i>Aconitum flavum</i> Hand","Acta Crystallographica Section E","2011","67","6","o1435","","10.1107/S1600536811015170","","","0.71073","MoKα","","0.0651","0.0579","","","0.1696","0.1768","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230553","10.891","0.002","11.522","0.002","16.99","0.003","90","","90","","90","","2132","0.7","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridoiron(III) perchlorate","","- C20 H16 Cl3 Fe N4 O4 -","- C20 H16 Cl3 Fe N4 O4 -","- C80 H64 Cl12 Fe4 N16 O16 -","4","1","ZQ2098","Zhang, Zhi-Fang","<i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')dichloridoiron(III) perchlorate","Acta Crystallographica Section E","2011","67","6","m677","","10.1107/S1600536811016035","","","0.71073","MoKα","","0.0797","0.0633","","","0.1147","0.1248","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230555","9.1188","0.0018","15.774","0.003","19.393","0.004","90","","90","","90","","2789.5","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>S</i>)-Benzyl 3-(4-hydroxyphenyl)-2-(tritylamino)propanoate","(<i>S</i>)-Benzyl 3-(4-hydroxyphenyl)-2-[(triphenylmethyl)amino]propanoate","","- C35 H31 N O3 -","- C35 H31 N O3 -","- C140 H124 N4 O12 -","4","1","ZQ2100","Chen, Meimei; Lai, Xinmei; Zhou, Changen; Yang, Xuemei","(<i>S</i>)-Benzyl 3-(4-hydroxyphenyl)-2-(tritylamino)propanoate","Acta Crystallographica Section E","2011","67","6","o1412","","10.1107/S1600536811017351","","","0.71073","MoKα","","0.0658","0.0413","","","0.0839","0.0925","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230564","9.8501","0.0006","12.088","0.0007","15.4883","0.001","90","","90","","90","","1844.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-(1-Methylindolin-2-yl)-1,3-diphenylpropan-2-ol","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","ZS2115","Lin, Ning; Chen, Miao-Miao; Deng, Yan-Qiu; Luo, Ren-Shi; Ng, Seik Weng","(<i>S</i>)-2-(1-Methylindolin-2-yl)-1,3-diphenylpropan-2-ol","Acta Crystallographica Section E","2011","67","6","o1515","","10.1107/S1600536811019143","","","0.71073","MoKα","","0.0496","0.0444","","","0.1152","0.1199","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230579","5.8052","0.0002","7.701","0.0003","27.4363","0.0008","90","","90","","90","","1226.56","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(3-Methylphenyl)-3-phenyl-1,2-oxazole","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","BT5513","Balakrishnan, B.; Praveen, C.; Seshadri, P. R.; Perumal, P. T.","5-(3-Methylphenyl)-3-phenyl-1,2-oxazole","Acta Crystallographica Section E","2011","67","7","o1575","","10.1107/S1600536811020198","","","0.71073","MoKα","","0.0517","0.039","","","0.0963","0.1086","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230596","7.4731","0.0003","9.9742","0.0007","16.4066","0.0012","90","","90","","90","","1222.92","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,6,8-Trihydroxy-3,4,5,7-tetramethyl-3,4-dihydroisocoumarin","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","CV5104","Tao, Yi-Wen; Wang, Yun","3,6,8-Trihydroxy-3,4,5,7-tetramethyl-3,4-dihydroisocoumarin","Acta Crystallographica Section E","2011","67","7","o1675","","10.1107/S1600536811021751","","","1.54178","CuKα","","0.0253","0.0248","","","0.0688","0.0694","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230607","9.1449","0.0002","10.827","0.0003","13.1344","0.0003","90","","90","","90","","1300.46","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(5-Bromo-1<i>H</i>-indol-3-yl)methyl]dimethylazanium nitrate","","- C11 H14 Br N3 O3 -","- C11 H14 Br N3 O3 -","- C44 H56 Br4 N12 O12 -","4","1","DN2690","Wang, Qing; Fu, Zhong-Ye; Li, Xia; Yu, Liang-Min","[(5-Bromo-1<i>H</i>-indol-3-yl)methyl]dimethylazanium nitrate","Acta Crystallographica Section E","2011","67","7","o1671","","10.1107/S1600536811020034","","","1.54178","CuKα","","0.0349","0.0339","","","0.087","0.0879","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230625","9.0247","0.0003","11.7748","0.0004","17.8585","0.0006","90","","90","","90","","1897.72","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-{(1<i>S</i>*,2<i>S</i>*)-2-[(<i>E</i>)-(2,4- Dihydroxybenzylidene)amino]cyclohexyl}isoindoline-1,3-dione","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","FF2012","Liu, Zhi-Jian; Fu, Xiang-Kai; Hu, Zhong-Kai; Wu, Xiao-Ju; Wu, Liu","2-{(1<i>S</i>*,2<i>S</i>*)-2-[(<i>E</i>)-(2,4-Dihydroxybenzylidene)amino]cyclohexyl}isoindoline-1,3-dione","Acta Crystallographica Section E","2011","67","7","o1562","","10.1107/S1600536811019787","","","0.71073","MoKα","","0.0449","0.0409","","","0.1269","0.1318","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230654","8.9917","0.0011","13.4769","0.0012","18.576","0.004","90","","90","","90","","2251","0.6","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C96 H136 N8 O24 -","8","2","HB5884","Elkhamlichi, Aouicha; Lachkar, Mohammed; El Bali, Brahim; Dusek, Michal; Fejfarova, Karla","Orthorhombic polymorph of (6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol","Acta Crystallographica Section E","2011","67","7","o1734","o1735","10.1107/S1600536811019866","","","0.71069","MoKα","","0.0731","0.0414","","","0.0862","0.091","","","","","","1.15","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230663","6.049","0.004","10.038","0.006","19.645","0.012","90","","90","","90","","1192.8","1.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(<i>E</i>)-(2,3-Dichlorobenzylidene)amino]phenol","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","HB5895","Sun, Li-Xia; Yu, Yun-Dan; Wei, Guo-Ying","4-[(<i>E</i>)-(2,3-Dichlorobenzylidene)amino]phenol","Acta Crystallographica Section E","2011","67","7","o1564","","10.1107/S1600536811019933","","","0.71073","MoKα","","0.0346","0.0301","","","0.0705","0.0724","","","","","","1.166","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230689","9.4862","0.0002","9.6237","0.0002","13.2433","0.0003","90","","90","","90","","1209.01","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5<i>R</i>)-3-(2-Chloroacetyl)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one","","- C12 H13 Cl N2 O3 -","- C12 H13 Cl N2 O3 -","- C48 H52 Cl4 N8 O12 -","4","1","HG5045","Caracelli, Ignez; Coelho, Daniel C. S.; Olivato, Paulo R.; Rodrigues, Alessandro; Tiekink, Edward R. T.","(5<i>R</i>)-3-(2-Chloroacetyl)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one","Acta Crystallographica Section E","2011","67","7","o1571","o1572","10.1107/S1600536811020356","","","0.71073","MoKα","","0.0208","0.0204","","","0.0536","0.054","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230693","9.9672","0.0002","13.3376","0.0002","14.4369","0.0002","90","","90","","90","","1919.22","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(2<i>S</i>,5<i>R</i>)-1-Methyl-5-phenylpyrrolidin-2-yl]diphenylmethanol","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","HG5054","Zukerman-Schpector, Julio; Venturini Moro, Angélica; Lüdtke, Diogo S.; Correia, Carlos Roque D.; Tiekink, Edward R. T.","[(2<i>S</i>,5<i>R</i>)-1-Methyl-5-phenylpyrrolidin-2-yl]diphenylmethanol","Acta Crystallographica Section E","2011","67","7","o1807","o1808","10.1107/S1600536811023403","","","0.71073","MoKα","","0.0466","0.0376","","","0.0862","0.092","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230718","8.2994","0.0007","8.625","0.0007","25.018","0.002","90","","90","","90","","1790.8","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[2-(4-Nitrophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione","","- C21 H15 N3 O4 -","- C21 H15 N3 O4 -","- C84 H60 N12 O16 -","4","1","IM2291","Bustos, Carlos; Alvarez-Thon, Luis; Barría, Daniela; Garland, Maria Teresa; Sánchez, Christian","2-[2-(4-Nitrophenyl)hydrazinylidene]-1,3-diphenylpropane-1,3-dione","Acta Crystallographica Section E","2011","67","7","o1587","","10.1107/S1600536811021143","","","0.71073","MoKα","","0.0394","0.0338","","","0.0807","0.0835","","","","","","0.998","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230750","8.9285","0.0015","11.6759","0.0019","21.939","0.004","90","","90","","90","","2287.1","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Schiff-base","2-((<i>E</i>)-{(<i>S</i>)-(6-Methoxyquinolin-4-yl)[(2<i>S</i>)-8- vinylquinuclidin-2-yl]methylimino}methyl)phenol","","- C27 H29 N3 O2 -","- C27 H29 N3 O2 -","- C108 H116 N12 O8 -","4","1","JH2284","Wei, Yu; He, Wei","2-((<i>E</i>)-{(<i>S</i>)-(6-Methoxyquinolin-4-yl)[(2<i>S</i>)-8-vinylquinuclidin-2-yl]methylimino}methyl)phenol","Acta Crystallographica Section E","2011","67","7","o1674","","10.1107/S1600536811021507","","","0.71073","MoKα","","0.0366","0.0315","","","0.0802","0.084","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230751","8.33","0.005","14.365","0.005","15.634","0.005","90","0.005","90","0.005","90","0.005","1870.8","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(4-methylpyridine- κ<i>N</i>)cobalt(III) hemihydrate","","- C14 H22 Cl Co N5 O4.5 -","- C14 H22 Cl Co N5 O4.5 -","- C56 H88 Cl4 Co4 N20 O18 -","4","1","JH2292","Amutha Selvi, Madhavan; Arun Kumar, Kannan; Dayalan, Arunachalam","Chloridobis(dimethylglyoximato-κ^2^<i>N</i>,<i>N</i>')(4-methylpyridine-κ<i>N</i>)cobalt(III) hemihydrate","Acta Crystallographica Section E","2011","67","7","m851","m852","10.1107/S1600536811020162","","","0.71073","MoKα","","0.036","0.0294","","","0.0731","0.0765","","","","","","1.02","","","","has coordinates,has Fobs","194525","2020-10-21","18:00:00",""
"2230797","6.05837","0.0001","8.33827","0.00014","40.9992","0.0007","90","","90","","90","","2071.13","0.06","291","2","291","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,5-Di-<i>O</i>-benzoyl-1,2-<i>O</i>-isopropylidene- α-D-<i>ribo</i>-hexos-3-ulo-1,4:3,6-difuranose","","- C23 H22 O8 -","- C23 H22 O8 -","- C92 H88 O32 -","4","1","LW2067","Zhang, Qiurong; Chen, Xuebin; Zhu, Nan; Jiang, Tengfei; Liu, Hongmin","3,5-Di-<i>O</i>-benzoyl-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-<i>ribo</i>-hexos-3-ulo-1,4:3,6-difuranose","Acta Crystallographica Section E","2011","67","7","o1800","","10.1107/S1600536811024317","","","1.5418","CuKα","","0.0376","0.0364","","","0.0926","0.0937","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230827","8.0714","0.0002","10.4571","0.0003","21.5816","0.0008","90","","90","","90","","1821.56","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10α-Hydroxy-4,9-dimethyl-13-[(pyrrolidin-1-yl)methyl]-3,8,15- trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C19 H29 N O5 -","- C19 H29 N O5 -","- C76 H116 N4 O20 -","4","1","OM2443","Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; Avignant, Daniel; Oudahmane, Abdelghani; Akssira, Mohamed","10α-Hydroxy-4,9-dimethyl-13-[(pyrrolidin-1-yl)methyl]-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2011","67","7","o1842","o1843","10.1107/S1600536811024688","","","0.71073","MoKα","","0.0572","0.0383","","","0.0881","0.0983","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230833","11.0662","0.0017","11.3149","0.0018","11.9609","0.0019","90","","90","","90","","1497.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-[1-(4-Bromophenyl)-1-hydroxyethyl]-5,5-dimethyl-1,3,2- dioxaphosphinane 2-oxide","","- C13 H18 Br O4 P -","- C13 H18 Br O4 P -","- C52 H72 Br4 O16 P4 -","4","1","QK2003","Wang, Chubei; Peng, Hao; He, Hongwu","(<i>S</i>)-2-[1-(4-Bromophenyl)-1-hydroxyethyl]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide","Acta Crystallographica Section E","2011","67","7","o1739","","10.1107/S1600536811020587","","","0.71073","MoKα","","0.06","0.0451","","","0.0994","0.1049","","","","","","0.927","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230840","6.632","0.002","15.301","0.004","20.087","0.005","90","","90","","90","","2038.4","1","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[(1,10-phenanthroline)(μ-L-tartrato)zinc] hexahydrate]","","- C16 H24 N2 O12 Zn -","- C16 H24 N2 O12 Zn -","- C64 H96 N8 O48 Zn4 -","4","1","RK2279","Dong, Gui-Ying; He, Cui-Hong; Liu, Tong-Fei; Cui, Guang-Hua; Deng, Xiao-Chen","Poly[[(1,10-phenanthroline)(μ-<small>L</small>-tartrato)zinc] hexahydrate]","Acta Crystallographica Section E","2011","67","7","m1005","m1006","10.1107/S1600536811024780","","","0.71073","MoKα","","0.0314","0.0274","","","0.0683","0.0709","","","","","","0.964","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230857","9.878","0.004","11.167","0.004","12.201","0.004","90","","90","","90","","1345.9","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Chloromethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II)","","- C7 H15 Cl5 Cu N2 -","- C7 H15 Cl5 Cu N2 -","- C28 H60 Cl20 Cu4 N8 -","4","1","SI2354","Rong, Tao","1-Chloromethyl-1,4-diazoniabicyclo[2.2.2]octane tetrachloridocuprate(II)","Acta Crystallographica Section E","2011","67","7","m889","","10.1107/S1600536811020782","","","0.71073","MoKα","","0.0241","0.0223","","","0.054","0.0545","","","","","","1.007","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2230871","6.253","0.002","12.335","0.004","18.511","0.007","90","","90","","90","","1427.8","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-[(2-Hydroxynaphthalen-1-yl)methylidene]nicotinohydrazide","","- C17 H13 N3 O2 -","- C17 H13 N3 O2 -","- C68 H52 N12 O8 -","4","1","SJ5164","Liu, Shi-Yong; Guo, Qin-Qin; Hao, Yu-Mei; Wang, Xiao-Ling","(<i>E</i>)-<i>N</i>'-[(2-Hydroxynaphthalen-1-yl)methylidene]nicotinohydrazide","Acta Crystallographica Section E","2011","67","7","o1756","","10.1107/S1600536811023257","","","0.71073","MoKα","","0.1265","0.0494","","","0.1014","0.1312","","","","","","0.989","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230872","6.421","0.0014","13.504","0.003","15.619","0.003","90","","90","","90","","1354.3","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5,9-Dihydroxy-9-methyl-3,6-dimethylene-3a,4,5,6,6a,7,8,9,9a,9b- decahydroazuleno[4,5-<i>b</i>]furan-2(3<i>H</i>)-one","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","SJ5165","Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; El Ammari, Lahcen; Akssira, Mohamed; Elhakmaoui, Ahmed","5,9-Dihydroxy-9-methyl-3,6-dimethylene-3a,4,5,6,6a,7,8,9,9a,9b-decahydroazuleno[4,5-<i>b</i>]furan-2(3<i>H</i>)-one","Acta Crystallographica Section E","2011","67","7","o1760","o1761","10.1107/S160053681102352X","","","0.71073","MoKα","","0.041","0.0372","","","0.0928","0.0967","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230898","9.1933","0.0018","10.341","0.002","14.255","0.003","90","","90","","90","","1355.2","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(1-methylpiperazine-1,4-diium) tetrabromidocuprate(II)","","- C5 H14 Br4 Cu N2 -","- C5 H14 Br4 Cu N2 -","- C20 H56 Br16 Cu4 N8 -","4","1","VN2014","Peng, Cong-hu","Bis(1-methylpiperazine-1,4-diium) tetrabromidocuprate(II)","Acta Crystallographica Section E","2011","67","7","m967","","10.1107/S1600536811024184","","","0.71073","MoKα","","0.0601","0.044","","","0.0825","0.0875","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230899","8.9717","0.0018","9.945","0.002","13.753","0.003","90","","90","","90","","1227.1","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(1-methylpiperazine-1,4-diium) tetrachloridocuprate(II)","","- C5 H14 Cl4 Cu N2 -","- C5 H14 Cl4 Cu N2 -","- C20 H56 Cl16 Cu4 N8 -","4","1","VN2015","Peng, Cong-hu","Bis(1-methylpiperazine-1,4-diium) tetrachloridocuprate(II)","Acta Crystallographica Section E","2011","67","7","m979","","10.1107/S1600536811024354","","","0.71073","MoKα","","0.0283","0.0253","","","0.0576","0.0587","","","","","","1.114","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2230918","7.6726","0.0004","11.4037","0.0005","12.2426","0.0005","90","","90","","90","","1071.18","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(4-Methylphenyl)benzonitrile","","- C14 H11 N -","- C14 H11 N -","- C56 H44 N4 -","4","1","XU5222","Siddegowda, M. S.; Jasinski, Jerry P.; Golen, James A.; Yathirajan, H. S.","2-(4-Methylphenyl)benzonitrile","Acta Crystallographica Section E","2011","67","7","o1647","","10.1107/S160053681101988X","","","0.71073","MoKα","","0.0492","0.0403","","","0.0996","0.1053","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2230962","5.6329","0.00013","8.36405","0.00015","25.4014","0.0005","90","","90","","90","","1196.76","0.04","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,6-Didehydro-5-hydroxy-1,2-<i>O</i>-isopropylidene-5-<i>C</i>-nitromethyl- α-D-glucofuranose","","- C10 H15 N O7 -","- C10 H15 N O7 -","- C40 H60 N4 O28 -","4","1","ZQ2104","Zhang, Qiurong; Li, Pan; Chen, Xuebin; Wang, Xiandong; Liu, Hongmin","3,6-Didehydro-5-hydroxy-1,2-<i>O</i>-isopropylidene-5-<i>C</i>-nitromethyl-α-<small>D</small>-glucofuranose","Acta Crystallographica Section E","2011","67","7","o1673","","10.1107/S160053681102191X","","","1.54184","CuKα","","0.0542","0.0528","","","0.1626","0.1646","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2230972","4.3359","0.0008","7.07","0.001","7.774","0.001","90","","90","","90","","238.31","0.06","290","1","290","1","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","disilver(I) selenide","","- Ag2 Se -","- Ag2 Se -","- Ag8 Se4 -","4","1","WM2506","Jaemin Yu; Hoseop Yun","Reinvestigation of the low-temperature form of Ag~2~Se (naumannite) based on single-crystal data","Acta Crystallographica, Section E","2011","67","9","i45","i45","10.1107/S1600536811028534","","","0.71073","MoKα","","","0.0311","","","","0.0799","","","","","","1.135","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231008","8.0091","0.0003","12.2395","0.0006","16.3039","0.0007","90","","90","","90","","1598.23","0.12","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-[(<i>S</i>,<i>Z</i>)-3-Bromo-1-nitro-4-phenylbut-3-en- 2-yl]cyclohexanone","","- C16 H18 Br N O3 -","- C16 H18 Br N O3 -","- C64 H72 Br4 N4 O12 -","4","1","BT5566","Wu, Chao; Zhao, Long; Xia, Ai-Bao","(<i>S</i>)-2-[(<i>S</i>,<i>Z</i>)-3-Bromo-1-nitro-4-phenylbut-3-en-2-yl]cyclohexanone","Acta Crystallographica Section E","2011","67","8","o1939","","10.1107/S1600536811025633","","","0.71073","MoKα","","0.0861","0.037","","","0.0688","0.1136","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231026","8.0901","0.0001","12.8226","0.0002","26.1472","0.0004","90","","90","","90","","2712.41","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(naphthalen-2-ylmethyl)-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole- 2,6,11(3<i>H</i>)-trione","","- C37 H24 N2 O3 -","- C37 H24 N2 O3 -","- C148 H96 N8 O12 -","4","1","BT6819","Afrakssou, Zahra; Rodi, Youssef Kandri; Capet, Frédéric; Essassi, El Mokhtar; Ng, Seik Weng","1,3-Bis(naphthalen-2-ylmethyl)-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","Acta Crystallographica Section E","2011","67","8","o2138","","10.1107/S1600536811029102","","","0.71073","MoKα","","0.0482","0.0435","","","0.1334","0.1384","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231034","4.7977","0.0004","6.2954","0.0006","21.6341","0.0018","90","","90","","90","","653.42","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Aminobenzyl alcohol","(3-Aminophenyl)methanol","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","BX2363","Betz, Richard; Gerber, Thomas; Hosten, Eric","(3-Aminophenyl)methanol","Acta Crystallographica Section E","2011","67","8","o2118","","10.1107/S1600536811029163","","","0.71073","MoKα","","0.0342","0.0331","","","0.0834","0.0844","","","","","","1.106","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231068","8.803","0.0002","12.745","0.0003","17.5779","0.0003","90","","90","","90","","1972.14","0.07","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium bromide dihydrate","","- C20 H24 Br O2 P -","- C20 H24 Br O2 P -","- C80 H96 Br4 O8 P4 -","4","1","EZ2252","Betz, Richard; Gerber, Thomas","Ethyltriphenylphosphonium bromide dihydrate","Acta Crystallographica Section E","2011","67","8","o1950","","10.1107/S1600536811026559","","","0.71073","MoKα","","0.02","0.0183","","","0.0472","0.0476","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231073","5.2431","0.0002","11.984","0.0007","25.6315","0.0011","90","","90","","90","","1610.51","0.13","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-3,3',4,5'-Tetramethoxystilbene","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","FF2018","Yan, Ri-An; Li, Xiao-Xia; Li, Guo-Qiang","<i>trans</i>-3,3',4,5'-Tetramethoxystilbene","Acta Crystallographica Section E","2011","67","8","o1960","","10.1107/S160053681102575X","","","1.5418","CuKα","","0.0445","0.0387","","","0.0898","0.095","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231074","10.41","0.004","12.688","0.005","17.124","0.007","90","","90","","90","","2261.8","1.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-methyl-1,2,3,3a-tetrahydrobenzo[<i>e</i>]pyrrolo[2,1-<i>b</i>][1,3]oxazepin- 10(5<i>H</i>)-one","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C104 H120 N8 O16 -","8","2","FF2019","Jin, Yun-Zhou; Zhang, Rong-Hua; Fu, Da-Xu; Lv, Yao-Kang","5-Methyl-1,2,3,3a-tetrahydrobenzo[<i>e</i>]pyrrolo[2,1-<i>b</i>][1,3]oxazepin-10(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o1969","","10.1107/S160053681102647X","","","0.71073","MoKα","","0.0602","0.0483","","","0.0999","0.1082","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231084","8.6064","0.0003","21.9864","0.0008","27.8721","0.001","90","","90","","90","","5274.1","0.3","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrakis(acetonitrile-κ<i>N</i>)lithium hexafluorophosphate acetonitrile monosolvate","","- C10 H15 F6 Li N5 P -","- C10 H15 F6 Li N5 P -","- C120 H180 F72 Li12 N60 P12 -","12","3","FJ2439","Seo, Daniel M.; Boyle, Paul D.; Henderson, Wesley A.","Tetrakis(acetonitrile-κ<i>N</i>)lithium hexafluoridophosphate acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","8","m1148","","10.1107/S1600536811027528","","","0.71073","MoKα","","0.0813","0.0542","","","0.1422","0.1573","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231093","5.88324","0.00014","14.3571","0.0003","18.3012","0.0004","90","","90","","90","","1545.83","0.06","295.65","","295.65","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(4-nitrobenzyl)diselane","","- C14 H12 N2 O4 Se2 -","- C14 H12 N2 O4 Se2 -","- C56 H48 N8 O16 Se8 -","4","1","FY2016","Zhou, Hua; Ou, Shi-Yi; Yan, Ri-An; Wu, Jian-Zhong","1,2-Bis(4-nitrobenzyl)diselane","Acta Crystallographica Section E","2011","67","8","o1938","","10.1107/S1600536811025736","","","1.5418","CuKα","","0.0326","0.0312","","","0.0976","0.1005","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231125","5.0928","0.0009","11.932","0.002","15.779","0.003","90","","90","","90","","958.8","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Dibromonaphthalene-2,3-diol","","- C10 H6 Br2 O2 -","- C10 H6 Br2 O2 -","- C40 H24 Br8 O8 -","4","1","HB5940","Gao, Qinghe; Zhu, Yanping","1,4-Dibromonaphthalene-2,3-diol","Acta Crystallographica Section E","2011","67","8","o2009","","10.1107/S1600536811026997","","","0.71073","MoKα","","0.0323","0.0287","","","0.0667","0.0678","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231135","4.757","0.0002","13.1011","0.0004","30.5511","0.0009","90","","90","","90","","1904","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Benzyl <i>N</i>-(1-{<i>N</i>'-[(<i>E</i>)-2,3- dihydroxybenzylidene]hydrazinecarbonyl}-2-hydroxyethyl)carbamate dihydrate","","- C18 H23 N3 O8 -","- C18 H23 N3 O8 -","- C72 H92 N12 O32 -","4","1","HB6326","Wardell, Solange M. S. V.; Tiekink, Edward R. T.; de Souza, Marcus V. N.; Pinheiro, Alessandra C.; Wardell, James L.","Benzyl <i>N</i>-(1-{<i>N</i>'-[(<i>E</i>)-2,3-dihydroxybenzylidene]hydrazinecarbonyl}-2-hydroxyethyl)carbamate dihydrate","Acta Crystallographica Section E","2011","67","8","o2155","o2156","10.1107/S1600536811029370","","","0.71073","MoKα","","0.0741","0.05","","","0.101","0.1136","","","","","","1.108","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231136","9.1195","0.0002","11.9614","0.0002","12.0393","0.0002","90","","90","","90","","1313.27","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(<i>Z</i>)-2-Phenylhydrazin-1-ylidene]-1-(piperidin-1-yl)propan-2-one","","- C14 H19 N3 O -","- C14 H19 N3 O -","- C56 H76 N12 O4 -","4","1","HB6327","Abdel-Aziz, Hatem A.; Ng, Seik Weng; Tiekink, Edward R. T.","1-[(<i>Z</i>)-2-Phenylhydrazin-1-ylidene]-1-(piperidin-1-yl)propan-2-one","Acta Crystallographica Section E","2011","67","8","o2172","","10.1107/S1600536811029680","","","1.5418","CuKα","","0.0344","0.0327","","","0.0784","0.0803","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231138","4.1225","0.0003","14.4441","0.0011","16.049","0.0014","90","","90","","90","","955.65","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-Dibromonaphthalen-1-ol","","- C10 H6 Br2 O -","- C10 H6 Br2 O -","- C40 H24 Br8 O4 -","4","1","HB6335","Raza, Abdul Rauf; Sultan, Aeysha; Tahir, M. Nawaz","2,4-Dibromonaphthalen-1-ol","Acta Crystallographica Section E","2011","67","8","o2199","","10.1107/S160053681103011X","","","0.71073","MoKα","","0.0901","0.0422","","","0.0772","0.0894","","","","","","0.962","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231171","9.352","0.0002","12.7553","0.0003","24.1148","0.0008","90","","90","","90","","2876.6","0.13","290","2","290","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-Methyl {[(2-carboxybicyclo[2.2.2]octan-1-yl)ammonio]methyl}phosphonate dichloromethane 0.25-solvate","","- C11.25 H20.5 Cl0.5 N O5 P -","- C11.25 H20.5 Cl0.5 N O5 P -","- C90 H164 Cl4 N8 O40 P8 -","8","2","IS2751","Todorov, Petar; Calmes, Monique; Shivachev, Boris L.; Nikolova, Rosica P.","(<i>R</i>)-Methyl {[(2-carboxybicyclo[2.2.2]octan-1-yl)ammonio]methyl}phosphonate dichloromethane 0.25-solvate","Acta Crystallographica Section E","2011","67","8","o2152","o2153","10.1107/S1600536811029503","","","1.5418","CuKα","","0.0998","0.0704","","","0.181","0.2046","","","","","","1.024","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2231181","7.0496","0.0014","14.404","0.003","17.583","0.004","90","","90","","90","","1785.4","0.7","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[(dichloridocadmium)-di-μ-chlorido- [bis(morpholinium-κ<i>O</i>)cadmium]-di-μ-chlorido]","","- C8 H20 Cd2 Cl6 N2 O2 -","- C8 H20 Cd2 Cl6 N2 O2 -","- C32 H80 Cd8 Cl24 N8 O8 -","4","1","JH2310","Wang, Wen-xiang; Dai, Jing","<i>catena</i>-Poly[(dichloridocadmium)-di-μ-chlorido-[bis(morpholinium-κ<i>O</i>)cadmium]-di-μ-chlorido]","Acta Crystallographica Section E","2011","67","8","m1144","","10.1107/S160053681102914X","","","0.71073","MoKα","","0.0252","0.0228","","","0.0499","0.0506","","","","","","1.071","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2231183","10.729","0.002","16.43","0.003","17.996","0.004","90","","90","","90","","3172.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[tris(2,4,6-trimethylanilinium) [(tetrachloridocadmium)-μ-chlorido]]","","- C27 H42 Cd Cl5 N3 -","- C27 H42 Cd Cl5 N3 -","- C108 H168 Cd4 Cl20 N12 -","4","1","JH2312","Rong, Tao","<i>catena</i>-Poly[tris(2,4,6-trimethylanilinium) [(tetrachloridocadmium)-μ-chlorido]]","Acta Crystallographica Section E","2011","67","8","m1139","","10.1107/S1600536811028650","","","0.71073","MoKα","","0.0368","0.0326","","","0.0662","0.0677","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231191","5.89","0.005","10.3","0.01","19.71","0.019","90","","90","","90","","1195.7","1.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2<i>H</i>-1-benzopyran-2-carbonitrile","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","KP2339","Brzezinski, Krzysztof; Baj, Aneta; Wałejko, Piotr; Witkowski, Stanisław; Dauter, Zbigniew","6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2<i>H</i>-1-benzopyran-2-carbonitrile, from synchrotron data","Acta Crystallographica Section E","2011","67","8","o1901","","10.1107/S1600536811025517","","","0.75","synchrotron","","0.0322","0.0322","","","0.0889","0.0889","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231199","7.6795","0.0014","13.067","0.003","28.084","0.005","90","","90","","90","","2818.2","1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>,12<i>R</i>,20<i>S</i>,24<i>R</i>)-20,24-Epoxydammarane-3,12,25-triol","","- C30 H52 O4 -","- C30 H52 O4 -","- C120 H208 O16 -","4","1","LH5260","Li, Wen-Juan; Guo, Huan-Mei; Ji, Chun-Mei; Bi, Yi; Meng, Qing-Guo","(3<i>S</i>,12<i>R</i>,20<i>S</i>,24<i>R</i>)-20,24-Epoxydammarane-3,12,25-triol","Acta Crystallographica Section E","2011","67","8","o2112","","10.1107/S1600536811028418","","","0.71073","MoKα","","0.1026","0.0615","","","0.1144","0.128","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231205","7.3161","0.0004","12.0287","0.0007","28.1634","0.0015","90","","90","","90","","2478.5","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(<i>E</i>)-(2,4-Dimethylphenyl)iminomethyl]phenol","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","2","LH5275","Fun, Hoong-Kun; Quah, Ching Kheng; Viveka, S.; Madhukumar, D. J.; Nagaraja, G. K.","2-[(<i>E</i>)-(2,4-Dimethylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2011","67","8","o1933","","10.1107/S1600536811026110","","","0.71073","MoKα","","0.0515","0.0396","","","0.1106","0.122","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231221","4.8582","0.0002","14.0236","0.0005","16.8636","0.0005","90","","90","","90","","1148.91","0.07","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone","","- C14 H12 O4 -","- C14 H12 O4 -","- C56 H48 O16 -","4","1","LW2071","Betz, Richard; Gerber, Thomas; Hosten, Eric; Schalekamp, Henk","(2-Hydroxy-4-methoxyphenyl)(2-hydroxyphenyl)methanone","Acta Crystallographica Section E","2011","67","8","o2180","","10.1107/S1600536811030042","","","0.71073","MoKα","","0.036","0.0299","","","0.0795","0.0834","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231223","3.9677","0.0001","13.3259","0.0004","20.3397","0.0007","90","","90","","90","","1075.42","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-phenylisatin","1-phenylindole-2,3-dione","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","1","LX2190","Shukla, Deepak; Rajeswaran, Manju","1-Phenylisatin","Acta Crystallographica Section E","2011","67","8","o2034","","10.1107/S1600536811027334","","","0.71073","MoKα","","0.0622","0.0377","","","0.0729","0.0806","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231233","10.3","0.002","11.437","0.002","17.809","0.004","90","","90","","90","","2097.9","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4-Bis[(2-ethyl-1<i>H</i>-benzimidazol-1-yl)methyl]benzene","","- C26 H26 N4 -","- C26 H26 N4 -","- C104 H104 N16 -","4","1","NG5188","Wang, Qiang; Zhao, Xing; Lou, Haipeng; Wang, Mengyan","1,4-Bis[(2-ethyl-1<i>H</i>-benzimidazol-1-yl)methyl]benzene","Acta Crystallographica Section E","2011","67","8","o1899","","10.1107/S1600536811025402","","","0.71073","MoKα","","0.0892","0.0758","","","0.1451","0.1531","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231273","4.8035","0.0014","9.47","0.003","23.884","0.007","90","","90","","90","","1086.5","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Cyano-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)acetohydrazide","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C44 H44 N12 O12 -","4","1","QM2013","Li, Hongbo; Chen, Peng","2-Cyano-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)acetohydrazide","Acta Crystallographica Section E","2011","67","8","o2001","","10.1107/S1600536811025451","","","0.71073","MoKα","","0.0897","0.0614","","","0.1052","0.1136","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231304","9.8887","0.0003","15.6028","0.0004","20.4857","0.0005","90","","90","","90","","3160.77","0.15","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pruniflorone M monohydrate","(2<i>R</i>)-5,10-Dihydroxy-2-hydroxymethyl-1,1-dimethyl-1<i>H</i>- furo[2,3-<i>c</i>]xanthen-6-one monohydrate","","- C18 H18 O7 -","- C18 H18 O7 -","- C144 H144 O56 -","8","2","SJ5174","Fun, Hoong-Kun; Chantrapromma, Suchada; Boonnak, Nawong; Karalai, Chatchanok; Chantrapromma, Kan","Redetermination and absolute configuration of pruniflorone M monohydrate","Acta Crystallographica Section E","2011","67","8","o1916","o1917","10.1107/S1600536811025177","","","1.54178","CuKα","","0.0446","0.0428","","","0.1181","0.1204","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231377","7.74","0.001","12.631","0.002","19.275","0.002","90","","90","","90","","1884.4","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","clostebol acetate","(8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>S</i>,17<i>S</i>)-4-chloro- 3-oxoandrost-4-en-17β-yl acetate","","- C21 H29 Cl O3 -","- C21 H29 Cl O3 -","- C84 H116 Cl4 O12 -","4","1","ZL2382","Maccaroni, Elisabetta; Mele, Andrea; Del Rosso, Renato; Malpezzi, Luciana","Clostebol acetate","Acta Crystallographica Section E","2011","67","8","o1952","o1953","10.1107/S1600536811026560","","","0.71069","MoKα","","0.0559","0.0378","","","0.0746","0.0792","","","","","","0.967","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231380","8.673","0.0017","10.132","0.002","11.088","0.002","90","","90","","90","","974.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Fluorophenyl)-2-(1<i>H</i>-imidazol-1-yl)ethanone","","- C11 H9 F N2 O -","- C11 H9 F N2 O -","- C44 H36 F4 N8 O4 -","4","1","ZQ2112","Liu, Dong-liang; Li, Chen; Yu, Guang-yan; Xiao, Tao","1-(4-Fluorophenyl)-2-(1<i>H</i>-imidazol-1-yl)ethanone","Acta Crystallographica Section E","2011","67","8","o2036","","10.1107/S1600536811026432","","","0.71073","MoKα","","0.06","0.0367","","","0.0821","0.0932","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231381","8.454","0.0017","11.722","0.002","20.648","0.004","90","","90","","90","","2046.2","0.7","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>)-3-Chloro-4-diallylamino-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2- isopropyl-5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one","","- C20 H30 Cl N O3 -","- C20 H30 Cl N O3 -","- C80 H120 Cl4 N4 O12 -","4","1","ZQ2113","Huang, Dong-Na; Tan, Yue-He; Fu, Jian-Hua; Wang, Zhao-Yang","(5<i>S</i>)-3-Chloro-4-diallylamino-5-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyloxy]furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","8","o2050","","10.1107/S1600536811027772","","","0.71073","MoKα","","0.0584","0.0382","","","0.0935","0.102","","","","","","0.965","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231383","8.4214","0.0003","10.6787","0.0004","18.9554","0.0008","90","","90","","90","","1704.65","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-[(2,4-Dihydroxybenzylidene)azaniumyl]-3-(1<i>H</i>-indol- 3-yl)propanoate monohydrate","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","ZS2121","Ba-Salamah, Salah Ahmed; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Lo, Kong Mun","(<i>E</i>)-2-[(2,4-Dihydroxybenzylidene)azaniumyl]-3-(1<i>H</i>-indol-3-yl)propanoate monohydrate","Acta Crystallographica Section E","2011","67","8","o2113","o2114","10.1107/S1600536811028200","","","0.71073","MoKα","","0.0383","0.0337","","","0.0822","0.0849","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231387","5.897","0.0002","7.2088","0.0003","31.329","0.0004","90","","90","","90","","1331.8","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","eucomic acid‒methanol (1/1)","2-hydroxy-2-(4-hydroxybenzyl)butanedioic acid methanol monosolvate","","- C12 H16 O7 -","- C12 H16 O7 -","- C48 H64 O28 -","4","1","ZS2127","Li, Guo-Qiang; Li, Yao-Lan; Wang, Guo-Cai; Liang, Zhi-Hong; Jiang, Ren-Wang","Eucomic acid methanol monosolvate","Acta Crystallographica Section E","2011","67","8","o2192","","10.1107/S1600536811030017","","","0.71073","MoKα","","0.0397","0.0303","","","0.0752","0.0806","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231404","6.6248","0.0004","9.7172","0.0006","21.2083","0.0011","90","","90","","90","","1365.27","0.14","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3,4-Dibromo-2,5-dimethyl-1-phenylsulfonyl-1<i>H</i>-pyrrole","","- C12 H11 Br2 N O2 S -","- C12 H11 Br2 N O2 S -","- C48 H44 Br8 N4 O8 S4 -","4","1","BT5579","Kanchanadevi, J.; Anbalagan, G.; Sureshbabu, R.; Mohanakrishnan, A. K.; Manivannan, V.","3,4-Dibromo-2,5-dimethyl-1-phenylsulfonyl-1<i>H</i>-pyrrole","Acta Crystallographica Section E","2011","67","9","o2224","","10.1107/S1600536811030443","","","0.71073","MoKα","","0.0522","0.0343","","","0.0706","0.0753","","","","","","1.016","","","","has coordinates","201979","2020-10-21","18:00:00",""
"2231421","8.6788","0.0005","11.2461","0.0005","17.9778","0.001","90","","90","","90","","1754.68","0.16","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-Bis(morpholin-4-yl)-6-phenoxy-1,3,5-triazine","","- C17 H21 N5 O3 -","- C17 H21 N5 O3 -","- C68 H84 N20 O12 -","4","1","BT5604","Vennila, Jasmine P.; Thiruvadigal, D. John; Kavitha, Helen P.; Chakkaravarthi, G.; Manivannan, V.","2,4-Bis(morpholin-4-yl)-6-phenoxy-1,3,5-triazine","Acta Crystallographica Section E","2011","67","9","o2451","","10.1107/S1600536811034088","","","0.71073","MoKα","","0.0542","0.041","","","0.1054","0.1154","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231451","9.835","0.003","12.851","0.002","16.226","0.003","90","","90","","90","","2050.8","0.8","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis{4-bromo-2-[(2-hydroxyethyl)iminomethyl]phenolato}nickel(II) monohydrate","","- C18 H20 Br2 N2 Ni O5 -","- C18 H20 Br2 N2 Ni O5 -","- C72 H80 Br8 N8 Ni4 O20 -","4","1","CI5196","Wang, Chen-Yi; Li, Jing-Fen; Wang, Ping; Yuan, Cai-Jun","Bis{4-bromo-2-[(2-hydroxyethyl)iminomethyl]phenolato}nickel(II) monohydrate","Acta Crystallographica Section E","2011","67","9","m1227","m1228","10.1107/S1600536811031771","","","0.71073","MoKα","","0.1554","0.0484","","","0.0924","0.1278","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231460","5.4853","0.0003","8.145","0.0011","41.162","0.004","90","","90","","90","","1839","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diphenyl [(<i>S</i>)-1-phenylpropanamido]phosphate","","- C21 H22 N O3 P -","- C21 H22 N O3 P -","- C84 H88 N4 O12 P4 -","4","1","DN2713","Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Negari, Monireh; Nečas, Marek","Diphenyl [(<i>S</i>)-1-phenylpropanamido]phosphate","Acta Crystallographica Section E","2011","67","9","o2512","","10.1107/S1600536811034507","","","0.71073","MoKα","","0.0675","0.0521","","","0.0864","0.0892","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231475","8.7112","0.0002","11.3051","0.0002","22.5913","0.0005","90","","90","","90","","2224.81","0.08","296","2","296","2","101","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>RS</i>,4'<i>RS</i>)-3'-(3-Chloro-4-methoxyphenyl)-4'-phenyl-4'<i>H</i>- spiro[indene-2,5'-isoxazol]-1(3<i>H</i>)-one ethanol monosolvate","","- C25 H23 Cl N2 O4 -","- C25 H23 Cl N2 O4 -","- C100 H92 Cl4 N8 O16 -","4","1","FY2017","Boughaleb, Adil; Zouihri, Hafid; Gmouh, Said; Kerbal, Abdelali; El yazidi, Mohamed","(2<i>RS</i>,4'<i>RS</i>)-3'-(3-Chloro-4-methoxyphenyl)-4'-phenyl-4'<i>H</i>-spiro[indene-2,5'-isoxazol]-1(3<i>H</i>)-one ethanol monosolvate","Acta Crystallographica Section E","2011","67","9","o2434","","10.1107/S1600536811032636","","","0.71073","MoKα","","0.0539","0.0391","","","0.0912","0.0956","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231482","8.4036","0.0007","11.2215","0.0008","21.4182","0.0012","90","","90","","90","","2019.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>)-<i>N</i>-(2-Benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide","","- C25 H24 N2 O2 -","- C25 H24 N2 O2 -","- C100 H96 N8 O8 -","4","1","HB5950","Nayab, Saira; Lee, Hong-In; Jeong, Jong Hwa","(2<i>R</i>)-<i>N</i>-(2-Benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide","Acta Crystallographica Section E","2011","67","9","o2478","","10.1107/S1600536811033836","","","0.71073","MoKα","","0.0797","0.034","","","0.076","0.0837","","","","","","0.927","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231486","4.7815","0.0003","16.567","0.0013","18.1658","0.0014","90","","90","","90","","1439.01","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(4-Chlorobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene- 3-carbonitrile","","- C16 H13 Cl N2 S -","- C16 H13 Cl N2 S -","- C64 H52 Cl4 N8 S4 -","4","1","HB6331","Asiri, Abdullah M.; Khan, Salman A.; Tahir, M. Nawaz","2-[(4-Chlorobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile","Acta Crystallographica Section E","2011","67","9","o2254","","10.1107/S1600536811030704","","","0.71073","MoKα","","0.0762","0.0441","","","0.0864","0.0988","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2231513","5.042","0.0002","18.484","0.0008","22.965","0.0008","90","","90","","90","","2140.25","0.15","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-{(2<i>S</i>)-3-Hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]- 1-phenyl-2-butyl}-4-methylbenzenesulfonamide","","- C20 H23 N3 O3 S3 -","- C20 H23 N3 O3 S3 -","- C80 H92 N12 O12 S12 -","4","1","HB6366","Gomes, Claudia R. B.; Vasconcelos, Thatyana R. A.; Junior, Walcimar T. Vellasco; Cunico, Wilson; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","<i>N</i>-{(2<i>S</i>)-3-Hydroxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenyl-2-butyl}-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","9","o2447","o2448","10.1107/S1600536811033575","","","0.71073","MoKα","","0.1438","0.0783","","","0.174","0.206","","","","","","1.291","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231529","9.1908","0.0008","9.6697","0.0019","29.0243","0.0008","90","","90","","90","","2579.5","0.6","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(benzyltrimethylammonium) tetrabromidocuprate(II)","","- C20 H32 Br4 Cu N2 -","- C20 H32 Br4 Cu N2 -","- C80 H128 Br16 Cu4 N8 -","4","1","HB6385","Jin, Lei; Liu, Ning; Li, Yong-Jun; Wu, De-Hong","Bis(benzyltrimethylammonium) tetrabromidocuprate(II)","Acta Crystallographica Section E","2011","67","9","m1325","","10.1107/S1600536811034830","","","0.71073","MoKα","","0.1075","0.0629","","","0.1503","0.1723","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231532","8.1928","0.0003","14.3757","0.0005","17.1839","0.0006","90","","90","","90","","2023.87","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,2'-Bis(methoxymethoxy)-3-methyl-1,1'-binaphthyl","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","HG5065","Carrilho, Rui M. B.; Abreu, Artur R.; Pereira, Mariette M.; Rodrigues, V. H.","2,2'-Bis(methoxymethoxy)-3-methyl-1,1'-binaphthyl","Acta Crystallographica Section E","2011","67","9","o2370","","10.1107/S1600536811031722","","","0.71073","MoKα","","0.0385","0.0308","","","0.0751","0.0806","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231554","11.266","0.0014","12.857","0.0009","24.527","0.003","90","","90","","90","","3552.7","0.7","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2-((<i>R</i>)-{2-[(<i>S</i>)-1-Benzylpyrrolidin-2- ylcarbonylazanidyl]phenyl}(phenyl)methylideneamino)-4-hydroxybutanoato- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^]nickel(II) toluene disolvate","","- C43 H45 N3 Ni O4 -","- C43 H45 N3 Ni O4 -","- C172 H180 N12 Ni4 O16 -","4","1","IM2308","Padělková, Zdeňka; Popkov, Alexander; Nádvorník, Milan","[2-((<i>R</i>)-{2-[(<i>S</i>)-1-Benzylpyrrolidin-2-ylcarbonylazanidyl]phenyl}(phenyl)methylideneamino)-4-hydroxybutanoato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^]nickel(II) toluene disolvate","Acta Crystallographica Section E","2011","67","9","m1258","m1259","10.1107/S1600536811031059","","","0.71073","MoKα","","0.07","0.0562","","","0.1283","0.1421","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231582","6.791","0.013","8.185","0.016","18.66","0.04","90","","90","","90","","1037","4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(3,3,4,4-Tetrafluoropyrrolidin-1-yl)aniline","","- C10 H10 F4 N2 -","- C10 H10 F4 N2 -","- C40 H40 F16 N8 -","4","1","LD2018","Cao, Wanwan; Zhong, Jun-wen; Wang, Jin; Liu, Pei-lian; Zeng, Zhuo","2-(3,3,4,4-Tetrafluoropyrrolidin-1-yl)aniline","Acta Crystallographica Section E","2011","67","9","o2220","","10.1107/S1600536811030339","","","0.71073","MoKα","","0.0919","0.0405","","","0.0906","0.1116","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231591","11.402","0.009","23.521","0.009","25.44","0.007","90","","90","","90","","6823","6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>cyclo</i>-(Metsulfone-Leu-Ile-Pro-Pro-Phe-Phe-Val-Ile)","Cyclolinopeptide K butanol disolvate monohydrate","","- C64 H105 N9 O14 S -","- C64 H105 N9 O14 S -","- C256 H420 N36 O56 S4 -","4","1","LH5292","Jadhav, Pramodkumar; Schatte, Gabriele; Labiuk, Shaunivan; Burnett, Peta-Gaye; Li, Bonnie; Okinyo-Owiti, Denis; Reaney, Martin; Grochulski, Pawel; Fodje, Michel; Sammynaiken, Ramaswami","Cyclolinopeptide K butanol disolvate monohydrate","Acta Crystallographica Section E","2011","67","9","o2360","o2361","10.1107/S1600536811032363","","","0.68878","synchrotron","","0.0414","0.0389","","","0.0964","0.0976","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2231594","4.2891","0.0002","17.3341","0.0009","20.5732","0.001","90","","90","","90","","1529.57","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(2-Hydroxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","LH5295","Fun, Hoong-Kun; Suwunwong, Thitipone; Chanawanno, Kullapa; Wisitsak, Pitikan; Chantrapromma, Suchada","(<i>E</i>)-1-(2-Hydroxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2011","67","9","o2287","o2288","10.1107/S1600536811031382","","","0.71073","MoKα","","0.0594","0.0413","","","0.0867","0.0951","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231612","6.2309","0.0002","9.3918","0.0004","19.9175","0.0009","90","","90","","90","","1165.56","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Benzyl-1,3-dideoxy-1,3-imino-<i>L</i>-xylitol","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","LH5318","Jenkinson, Sarah F.; Lenagh-Snow, Gabriel M. J.; Fleet, George W. J.; Thompson, Amber L.","<i>N</i>-Benzyl-1,3-dideoxy-1,3-imino-<small>L</small>-xylitol","Acta Crystallographica Section E","2011","67","9","o2452","","10.1107/S160053681103399X","","","0.71073","MoKα","","0.0753","0.0448","","0.1022","0.0911","0.1022","","","","","","0.9505","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231613","6.1132","0.0002","12.2963","0.0004","14.6367","0.0005","90","","90","","90","","1100.24","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-Deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-L-galactono-1,5-lactone","","- C10 H16 O5 -","- C10 H16 O5 -","- C40 H64 O20 -","4","1","LH5321","Jenkinson, Sarah F.; Parry, Loren L.; Wilson, Francis X.; Fleet, George W. J.; Watkin, David J.","6-Deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-<small>L</small>-galactono-1,5-lactone","Acta Crystallographica Section E","2011","67","9","o2531","o2532","10.1107/S1600536811034957","","","0.71073","MoKα","","0.0566","0.038","","0.0895","0.083","0.0895","","","","","","0.8894","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231616","7.94","0.006","12.602","0.009","20.233","0.015","90","","90","","90","","2025","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-{1-[2-(2-Chlorophenyl)hydrazinylidene]-2,2,2-trifluoroethyl}- 7-diethylamino-2<i>H</i>-chromen-2-one","","- C21 H19 Cl F3 N3 O2 -","- C21 H19 Cl F3 N3 O2 -","- C84 H76 Cl4 F12 N12 O8 -","4","1","LR2022","Chen, Hao; Cai, Li; Yu, Chaochao; Li, Hongqi","3-{1-[2-(2-Chlorophenyl)hydrazinylidene]-2,2,2-trifluoroethyl}-7-diethylamino-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2011","67","9","o2344","","10.1107/S1600536811031916","","","0.71073","MoKα","","0.0387","0.0321","","","0.074","0.0779","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231617","4.8246","0.001","9.766","0.002","28.024","0.007","90","","90","","90","","1320.4","0.5","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(Naphthalen-1-ylmethylidene)amino]-5-methylphenol","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","LR2024","Orona, Gabriella; Molinar, Vanessa; Fronczek, Frank R.; Isovitsch, Ralph","2-[(Naphthalen-1-ylmethylidene)amino]-5-methylphenol","Acta Crystallographica Section E","2011","67","9","o2505","o2506","10.1107/S1600536811034556","","","0.71073","MoKα","","0.067","0.041","","","0.082","0.09","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231621","6.8748","0.0002","13.3291","0.0004","16.8667","0.0005","90","","90","","90","","1545.58","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4-Methylphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone","","- C19 H14 O2 S -","- C19 H14 O2 S -","- C76 H56 O8 S4 -","4","1","LX2197","Silambarasan, V.; Sundaramoorthy, S.; Sivasakthikumaran, R.; MohanaKrishnan, A. K.; Velmurugan, D.","(4-Methylphenyl)[2-(thiophen-2-ylcarbonyl)phenyl]methanone","Acta Crystallographica Section E","2011","67","9","o2349","","10.1107/S1600536811032478","","","0.71073","MoKα","","0.0663","0.0515","","","0.1409","0.1537","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231623","4.6218","0.0019","11.621","0.005","20.51","0.009","90","","90","","90","","1101.6","0.8","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Isopropyl 3-oxo-2,3-dihydro-1,2-benzothiazole-2-carboxylate","","- C11 H11 N O3 S -","- C11 H11 N O3 S -","- C44 H44 N4 O12 S4 -","4","1","LX2199","Wang, Xiang-hui; Lin, Qiang; Yang, Jian-xin","Isopropyl 3-oxo-2,3-dihydro-1,2-benzothiazole-2-carboxylate","Acta Crystallographica Section E","2011","67","9","o2477","","10.1107/S1600536811034209","","","0.71073","MoKα","","0.056","0.039","","","0.0715","0.0779","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231648","4.8358","0.0004","14.8218","0.0016","41.39","0.003","90","","90","","90","","2966.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Phenylethyl 1-thio-β-D-galactopyranoside monohydrate","","- C14 H21 O5.5 S -","- C14 H21 O5.5 S -","- C112 H168 O44 S8 -","8","2","OM2454","Brito, Iván; Szilágyi, László; Kumar, Ambati Ashok; Albanez, Joselyn; Bolte, Michael","2-Phenylethyl 1-thio-β-<small>D</small>-galactopyranoside hemihydrate","Acta Crystallographica Section E","2011","67","9","o2308","o2309","10.1107/S1600536811031667","","","0.71073","MoKα","","0.1395","0.0577","","","0.0885","0.1172","","","","","","0.677","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231650","9.846","0.001","12.646","0.002","16.006","0.002","90","","90","","90","","1992.9","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis{4-chloro-2-[(2-hydroxyethyl)iminomethyl]phenolato}nickel(II) monohydrate","","- C18 H20 Cl2 N2 Ni O5 -","- C18 H20 Cl2 N2 Ni O5 -","- C72 H80 Cl8 N8 Ni4 O20 -","4","1","OM2456","Wang, Chen-Yi; Ye, Jin-Yun; Wu, Xiang; Han, Zhi-Ping","Bis{4-chloro-2-[(2-hydroxyethyl)iminomethyl]phenolato}nickel(II) monohydrate","Acta Crystallographica Section E","2011","67","9","m1229","","10.1107/S1600536811031680","","","0.71073","MoKα","","0.0719","0.0387","","","0.0648","0.0755","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231667","7.4932","0.0005","11.5862","0.0007","18.5744","0.0012","90","","90","","90","","1612.59","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(3,4-Dimethoxyphenyl)-4-(2-methoxyanilino)furan-2(5<i>H</i>)-one","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","PV2437","Tian, Chun-Lian; Tian, Qijian","3-(3,4-Dimethoxyphenyl)-4-(2-methoxyanilino)furan-2(5<i>H</i>)-one","Acta Crystallographica Section E","2011","67","9","o2328","","10.1107/S1600536811031266","","","0.71073","MoKα","","0.05","0.0477","","","0.1187","0.1205","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231671","6.9666","0.0004","8.4146","0.0006","24.0261","0.0015","90","","90","","90","","1408.44","0.16","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dibromido(4,7-diazadecane-1,10-diamine)copper(II)","","- C8 H22 Br2 Cu N4 -","- C8 H22 Br2 Cu N4 -","- C32 H88 Br8 Cu4 N16 -","4","1","PV2444","Assey, Gervas E.; Butcher, Ray J.; Gultneh, Yilma","Dibromido(4,7-diazadecane-1,10-diamine)copper(II)","Acta Crystallographica Section E","2011","67","9","m1266","","10.1107/S160053681103251X","","","0.71073","MoKα","","0.0834","0.0705","","","0.1791","0.1833","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231678","4.628","0.003","12.801","0.009","18.312","0.012","90","","90","","90","","1084.9","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(2-Iodophenyl)-2-phenyldiazene","","- C12 H9 I N2 -","- C12 H9 I N2 -","- C48 H36 I4 N8 -","4","1","QM2021","Wragg, David S.; Ahmed, Mohammed A. K.; Nilsen, Ola; Fjellvåg, Helmer","(<i>E</i>)-1-(2-Iodophenyl)-2-phenyldiazene","Acta Crystallographica Section E","2011","67","9","o2326","","10.1107/S1600536811032119","","","0.71073","MoKα","","0.0299","0.0282","","","0.0691","0.0701","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231680","9.53","0.003","10.228","0.003","17.424","0.005","90","","90","","90","","1698.4","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dihydroagarofuran","4α,6α-Dihydroxy-1β-methylsulfonyl-8α,9α-epoxy-2β,12-epoxymethano- β-dihydroagarofuran","","- C16 H24 O8 S -","- C16 H24 O8 S -","- C64 H96 O32 S4 -","4","1","QM2023","Zhang, Jiwen; Gao, Peng; Li, Longbo; Wu, Wenjun","4α,6α-Dihydroxy-1β-methylsulfonyl-8α,9α-epoxy-2β,12-epoxymethano-β-dihydroagarofuran","Acta Crystallographica Section E","2011","67","9","o2496","","10.1107/S1600536811034179","","","0.71073","MoKα","","0.0489","0.0388","","","0.0812","0.0852","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231716","11.09","0.005","15.204","0.007","23.679","0.01","90","","90","","90","","3993","3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-Chlorido(phenanthren-9-yl)bis(triphenylphosphane)nickel(II)","","- C50 H39 Cl Ni P2 -","- C50 H39 Cl Ni P2 -","- C200 H156 Cl4 Ni4 P8 -","4","1","VM2114","Lei, Xiangyang; Obregon, Karla A.","<i>trans</i>-Chlorido(phenanthren-9-yl)bis(triphenylphosphane)nickel(II)","Acta Crystallographica Section E","2011","67","9","m1272","","10.1107/S1600536811032326","","","0.71073","MoKα","","0.0263","0.0235","","","0.0554","0.0566","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231724","6.2907","0.0005","7.4155","0.0006","30.168","0.003","90","","90","","90","","1407.3","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(4-fluoroanilinium) sulfate","","- C12 H14 F2 N2 O4 S -","- C12 H14 F2 N2 O4 S -","- C48 H56 F8 N8 O16 S4 -","4","1","WN2446","Fun, Hoong-Kun; Arshad, Suhana; Dinesha; Laxmeshwar, Sandeep; Nagaraja, G. K.","Bis(4-fluoroanilinium) sulfate","Acta Crystallographica Section E","2011","67","9","o2408","","10.1107/S1600536811033137","","","0.71073","MoKα","","0.0506","0.0381","","","0.095","0.1026","","","","","","0.976","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231731","8.9813","0.0006","15.5062","0.001","19.9737","0.0013","90","","90","","90","","2781.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,6,3',4'-Penta-<i>O</i>-acetyl-4,1',6'-trichloro-4,1',6'-trideoxysucrose","","- C22 H29 Cl3 O13 -","- C22 H29 Cl3 O13 -","- C88 H116 Cl12 O52 -","4","1","XU5274","Wu, Fu-Zhong; Zhang, Ping","2,3,6,3',4'-Penta-<i>O</i>-acetyl-4,1',6'-trichloro-4,1',6'-trideoxysucrose","Acta Crystallographica Section E","2011","67","9","o2323","","10.1107/S1600536811032120","","","0.71073","MoKα","","0.0402","0.0371","","","0.0953","0.0978","","","","","","1.061","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231766","7.6615","0.001","12.2005","0.0016","15.545","0.002","90","","90","","90","","1453.1","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,15-Dimethoxy-10-methyltricyclo[9.4.0.0^2,7^]pentadeca- 1(11),2(7),3,5,9,12,14-heptaen-8-one","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","ZJ2016","Zhu, Yaomin; Yang, Jianfei; Li, Xianfei; Zhou, Le","3,15-Dimethoxy-10-methyltricyclo[9.4.0.0^2,7^]pentadeca-1(11),2(7),3,5,9,12,14-heptaen-8-one","Acta Crystallographica Section E","2011","67","9","o2282","","10.1107/S160053681103100X","","","0.71073","MoKα","","0.0544","0.0369","","","0.0798","0.0898","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231773","8.1389","0.0006","10.1788","0.0007","21.7669","0.0015","90","","90","","90","","1803.3","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Hydroxy-4,8-dimethyl-12-(pyrrolidin-1-ylmethyl)-3,14- dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C19 H29 N O4 -","- C19 H29 N O4 -","- C76 H116 N4 O16 -","4","1","ZL2390","Moumou, Mohamed; Benharref, Ahmed; Avignant, Daniel; Oudahmane, Abdelghani; Akssira, Mohamed; Berraho, Moha","9-Hydroxy-4,8-dimethyl-12-(pyrrolidin-1-ylmethyl)-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2011","67","9","o2226","o2227","10.1107/S1600536811030467","","","0.71073","MoKα","","0.1025","0.0448","","","0.0961","0.1211","","","","","","0.99","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231792","7.8073","0.0009","9.7598","0.0011","31.043","0.002","90","","90","","90","","2365.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7<i>R</i>,8<i>S</i>,9<i>S</i>,12<i>S</i>)- 1-(4-Chlorobenzyloxy)-13,14-didehydro-12-hydroxy- 2,13-dimethoxy-<i>N</i>-methylmorphinane","","- C26 H30 Cl N O4 -","- C26 H30 Cl N O4 -","- C104 H120 Cl4 N4 O16 -","4","1","ZS2138","Zheng, Xing-Liang; Jiang, Ning-Fei; Gao, Hong-Sheng; Luo, Dan; Ding, Ai-Shun","(7<i>R</i>,8<i>S</i>,9<i>S</i>,12<i>S</i>)-1-(4-Chlorobenzyloxy)-13,14-didehydro-12-hydroxy-2,13-dimethoxy-<i>N</i>-methylmorphinane","Acta Crystallographica Section E","2011","67","9","o2480","","10.1107/S160053681103443X","","","0.71073","MoKα","","0.0514","0.0423","","","0.1168","0.1248","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231838","5.5928","0.0003","17.5004","0.0007","20.1431","0.0007","90","","90","","90","","1971.53","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-<i>N</i>-{1-[5-(4-Chlorobenzylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}- 4-methylbenzenesulfonamide","","- C18 H18 Cl N3 O3 S2 -","- C18 H18 Cl N3 O3 S2 -","- C72 H72 Cl4 N12 O12 S8 -","4","1","BT5653","Syed, Tayyaba; Hameed, Shahid; Jones, Peter G.","(<i>S</i>)-<i>N</i>-{1-[5-(4-Chlorobenzylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","10","o2793","","10.1107/S1600536811039134","","","1.54184","CuKα","","0.0276","0.0262","","","0.0682","0.0691","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231855","5.5075","0.0002","13.6114","0.0005","12.6822","0.0004","90","","90","","90","","950.72","0.06","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(2-Nitrooxyethyl)picolinamide","<i>N</i>-(2-Nitrooxyethyl)pyridine-2-carboxamide","","- C8 H9 N3 O4 -","- C8 H9 N3 O4 -","- C32 H36 N12 O16 -","4","1","CV5154","Paixão, Drielly A.; Guilardi, Silvana; Fátima, Ângelo de; Araujo, Débora P.; Oliveira, Francinely C.","<i>N</i>-(2-Nitrooxyethyl)picolinamide","Acta Crystallographica Section E","2011","67","10","o2816","","10.1107/S1600536811039572","","","0.71073","MoKα","","0.0496","0.038","","","","0.1079","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231859","9.2217","0.0011","11.5041","0.0012","12.9149","0.0017","90","","90","","90","","1370.1","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>,6<i>R</i>)-6-Bromo-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2<i>H</i>- cyclopenta[<i>b</i>]pyran-7-one","","- C15 H15 Br O2 -","- C15 H15 Br O2 -","- C60 H60 Br4 O8 -","4","1","DS2143","Ieawsuwan, Winai; Bolte, Michael","(5<i>S</i>,6<i>R</i>)-6-Bromo-6-methyl-5-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-cyclopenta[<i>b</i>]pyran-7-one","Acta Crystallographica Section E","2011","67","10","o2748","","10.1107/S1600536811038232","","","0.71073","MoKα","","0.1051","0.082","","","0.1986","0.2168","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231878","3.8142","0.0001","15.9367","0.0003","21.4121","0.0005","90","","90","","90","","1301.55","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(3-Chloro-2-hydroxyphenyl)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","1","GK2410","Lokhande, Pradeep; Hasanzadeh, Kamal; Khaledi, Hamid; Mohd Ali, Hapipah","3-(3-Chloro-2-hydroxyphenyl)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","Acta Crystallographica Section E","2011","67","10","o2736","","10.1107/S1600536811038025","","","0.71073","MoKα","","0.0501","0.038","","","0.0711","0.075","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231929","13.446","0.006","14.125","0.006","20.483","0.008","90","","90","","90","","3890","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tris(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')zinc bis(perchlorate) acetonitrile monosolvate","","- C38 H21 Cl2 N7 O14 Zn -","- C38 H21 Cl2 N7 O14 Zn -","- C152 H84 Cl8 N28 O56 Zn4 -","4","1","HY2471","Zhao, Jing; Zhang, Heng; Zhang, Zhaozhi; Zhao, Haiyan; Zhu, Guoyi","Tris(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')zinc bis(perchlorate) acetonitrile monosolvate","Acta Crystallographica Section E","2011","67","10","m1422","m1423","10.1107/S1600536811037081","","","0.71073","MoKα","","0.1233","0.0748","","","0.1946","0.2201","","","","","","0.97","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231948","5.9178","0.0002","16.6269","0.0009","22.8564","0.0011","90","","90","","90","","2248.95","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(1<i>R</i>,3<i>S</i>)-6,7-Dimethoxy-1-phenyl-1,2,3,4- tetrahydroisoquinolin-3-yl]-4-phenyl-1,3-thiazole","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","IS2779","Pawar, Sunayna; Katharigatta, Venugopala; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","2-[(1<i>R</i>,3<i>S</i>)-6,7-Dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-phenyl-1,3-thiazole","Acta Crystallographica Section E","2011","67","10","o2722","","10.1107/S1600536811037494","","","0.71073","MoKα","","0.1346","0.0752","","","0.0946","0.1085","","","","","","1.207","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231959","4.8538","0.0002","9.5323","0.0004","15.6718","0.0006","90","","90","","90","","725.1","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-Deoxy-α-D-glucopyranose","2-Deoxy-α-D-<i>arabino</i>-hexopyranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","KJ2184","Hess, David; Klüfers, Peter","2-Deoxy-α-<small>D</small>-<i>arabino</i>-hexopyranose","Acta Crystallographica Section E","2011","67","10","o2615","","10.1107/S1600536811035264","","","0.71073","MoKα","","0.0372","0.035","","","0.095","0.0966","","","","","","1.137","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231963","11.2562","0.0006","13.1744","0.0007","20.3965","0.0012","90","","90","","90","","3024.7","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[bis(dimethylformamide)[μ~7~-5,5'-(methylenedioxy)diisophthalato]dizinc] dimethylformamide monosolvate]","","- C26 H29 N3 O13 Zn2 -","- C26 H29 N3 O13 Zn2 -","- C104 H116 N12 O52 Zn8 -","4","1","KP2331","Li, Chuan-Qiang; Qiu, Wen-Ge; He, Hong","Poly[[bis(dimethylformamide)[μ~7~-5,5'-(methylenedioxy)diisophthalato]dizinc] dimethylformamide monosolvate]","Acta Crystallographica Section E","2011","67","10","m1406","","10.1107/S1600536811037056","","","0.71073","MoKα","","0.0264","0.0257","","","0.064","0.0643","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2231992","5.5354","0.0004","8.0039","0.0004","35.8207","0.0017","90","","90","","90","","1587.03","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>)-4-(biphenyl-4-yl)-7-chloro-1,2,3,4-tetrahydroquinoline","","- C21 H18 Cl N -","- C21 H18 Cl N -","- C84 H72 Cl4 N4 -","4","1","LR2028","Theissmann, Thomas; Bolte, Michael","(4<i>R</i>)-4-(Biphenyl-4-yl)-7-chloro-1,2,3,4-tetrahydroquinoline","Acta Crystallographica Section E","2011","67","10","o2747","","10.1107/S160053681103830X","","","0.71073","MoKα","","0.0327","0.03","","","0.0774","0.0787","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2231993","7.8716","0.0008","12.2725","0.0012","17.21","0.0016","90","","90","","90","","1662.6","0.3","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","11α,15α-Dihydroxyandrost-4-ene-3,17-dione","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","LW2070","Shen, Yan-Bing; Wang, Min; Liang, Qi-Kun; Luo, Jian-Mei","11α,15α-Dihydroxyandrost-4-ene-3,17-dione","Acta Crystallographica Section E","2011","67","10","o2752","","10.1107/S1600536811038608","","","0.71073","MoKα","","0.0416","0.0369","","","0.079","0.081","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232001","4.7211","0.0005","11.4263","0.0013","13.3693","0.0015","90","","90","","90","","721.2","0.14","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3<i>Z</i>)-3-Hydrazinylideneindolin-2-one","","- C8 H7 N3 O -","- C8 H7 N3 O -","- C32 H28 N12 O4 -","4","1","NG5222","Ara Jamal, Rifat; Ashiq, Uzma; Yousuf, Sammer","(3<i>Z</i>)-3-Hydrazinylideneindolin-2-one","Acta Crystallographica Section E","2011","67","10","o2576","","10.1107/S1600536811035367","","","0.71073","MoKα","","0.0308","0.0296","","","0.0782","0.0792","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232059","5.0598","0.0003","14.7702","0.0011","35.026","0.002","90","","90","","90","","2617.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(4-Aminophenyl)-4-methylbenzenesulfonamide","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C104 H112 N16 O16 S8 -","8","2","SU2300","Rehman, Jeveria; Ejaz; Khan, Islam Ullah; Harrison, William T. A.","<i>N</i>-(4-Aminophenyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2011","67","10","o2709","","10.1107/S1600536811036191","","","0.71073","MoKα","","0.1358","0.0579","","","0.0988","0.1222","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232107","9.7948","0.0001","10.9356","0.0002","22.324","0.0003","90","","90","","90","","2391.17","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2-Diethyl 4-methyl 5-(4-nitrophenyl)-4-phenylpyrrolidine-2,2,4-tricarboxylate","","- C24 H26 N2 O8 -","- C24 H26 N2 O8 -","- C96 H104 N8 O32 -","4","1","XU5319","He, Long","2,2-Diethyl 4-methyl 5-(4-nitrophenyl)-4-phenylpyrrolidine-2,2,4-tricarboxylate","Acta Crystallographica Section E","2011","67","10","o2593","","10.1107/S1600536811036038","","","1.54184","CuKα","","0.0258","0.0254","","","0.0676","0.0678","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232132","10.6037","0.0002","13.6564","0.0003","16.2893","0.0004","90","","90","","90","","2358.83","0.09","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","deacetylnomilin monohydrate","1-hydroxy-1,2-dihydroobacunoic acid 3,4-lactone monohydrate","","- C26 H34 O9 -","- C26 H34 O9 -","- C104 H136 O36 -","4","1","ZS2135","Li, Guo-Qiang; Ye, Yong-Shu; Yang, Yi-Ting; Luo, Hu-Jie; Li, Yao-Lan","Deacetylnomilin monohydrate","Acta Crystallographica Section E","2011","67","10","o2561","","10.1107/S1600536811035033","","","1.5418","CuKα","","0.034","0.0321","","","0.0834","0.0852","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232139","5.6969","0.0015","12.657","0.003","17.604","0.005","90","","90","","90","","1269.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(1<i>H</i>-benzimidazol-1-yl)methyl]benzoic acid","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","AA2024","Kuai, Hai-Wei; Cheng, Xiao-Chun","Orthorhombic polymorph of 4-[(1<i>H</i>-benzimidazol-1-yl)methyl]benzoic acid","Acta Crystallographica Section E","2011","67","11","o3014","","10.1107/S1600536811042838","","","0.71073","MoKα","","0.0596","0.0387","","","0.0809","0.0887","","","","","","0.987","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232142","5.029","0.0007","5.49","0.0008","36.254","0.005","90","","90","","90","","1000.9","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-Benzylglycine hydrochloride","1-Carboxy-3-phenylpropan-2-aminium chloride","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","AA2029","Hosten, Eric; Gerber, Thomas; Betz, Richard","1-Carboxy-3-phenylpropan-2-aminium chloride","Acta Crystallographica Section E","2011","67","11","o2947","","10.1107/S1600536811041638","","","0.71069","MoKα","","0.0834","0.0795","","","0.1758","0.1772","","","","","","1.335","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232145","3.9425","0.0001","9.2588","0.0002","19.2368","0.0003","90","","90","","90","","702.2","0.03","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Thieno[3,4-<i>d</i>][1,3]dithiole-2-thione","","- C5 H2 S4 -","- C5 H2 S4 -","- C20 H8 S16 -","4","1","BG2422","Wen, Hua-wen; Fang, Qi","Thieno[3,4-<i>d</i>][1,3]dithiole-2-thione","Acta Crystallographica Section E","2011","67","11","o3097","","10.1107/S1600536811044084","","","0.71073","MoKα","","0.0248","0.0213","","","0.0512","0.0525","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232174","7.417","0.0006","8.5406","0.0007","24.098","0.0019","90","","90","","90","","1526.5","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Dimethoxy-4-methyl-3-[(<i>S</i>)-<i>p</i>-tolylsulfinyl]benzene","","- C16 H18 O3 S -","- C16 H18 O3 S -","- C64 H72 O12 S4 -","4","1","BT5660","Mastranzo, Virginia M.; Olivares, José Luis; Sánchez-Obregón, Rubén; Yuste, Francisco; Toscano, Rubén A.","1,2-Dimethoxy-4-methyl-3-[(<i>S</i>)-<i>p</i>-tolylsulfinyl]benzene","Acta Crystallographica Section E","2011","67","11","o2950","","10.1107/S1600536811041420","","","0.71073","MoKα","","0.0419","0.0387","","","0.0968","0.0993","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232181","7.491","0.0015","7.5031","0.0015","17.43","0.004","90","","90","","90","","979.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethylanilinium chloride monohydrate","","- C8 H14 Cl N O -","- C8 H14 Cl N O -","- C32 H56 Cl4 N4 O4 -","4","1","BT5667","Biglari Mazlaghani, Hossein; Talei Bavil Olyai, Mohamad Reza; Hossein Zadeh, Soudeh; Notash, Behrouz","2,3-Dimethylanilinium chloride monohydrate","Acta Crystallographica Section E","2011","67","11","o3089","","10.1107/S1600536811043765","","","0.71073","MoKα","","0.052","0.0383","","","0.0979","0.1044","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232241","8.0899","0.0005","10.7562","0.0006","22.5093","0.0013","90","","90","","90","","1958.7","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10α-Hydroxy-4,9-dimethyl-13-(pipyridin-1-ylmethyl)-3,8,15- trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]tetradecan-14-one","","- C20 H31 N O5 -","- C20 H31 N O5 -","- C80 H124 N4 O20 -","4","1","FJ2458","Moumou, Mohamed; Benharref, Ahmed; Oudahmane, Abdelghani; Elhakmaoui, Ahmed; Berraho, Moha","10α-Hydroxy-4,9-dimethyl-13-(pipyridin-1-ylmethyl)-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]tetradecan-14-one","Acta Crystallographica Section E","2011","67","11","o3003","o3004","10.1107/S1600536811042644","","","0.71073","MoKα","","0.0611","0.0355","","","0.0753","0.0866","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232274","9.8627","0.0007","10.5674","0.0007","13.1565","0.0009","90","","90","","90","","1371.21","0.16","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6β,8β-Dihydroxyeremophil-7(11)-en-8α,12-olide","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","HB6428","Zhang, Zhan-Xin; Fei, Dong-Qing","6β,8β-Dihydroxyeremophil-7(11)-en-8α,12-olide","Acta Crystallographica Section E","2011","67","11","o2957","","10.1107/S160053681104150X","","","0.71073","MoKα","","0.0425","0.0343","","","0.0827","0.0873","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232310","8.1572","0.0002","11.2821","0.0003","12.4256","0.0003","90","","90","","90","","1143.53","0.05","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(<i>o</i>-Tolyl)piperazin-1-ium chloride","","- C11 H17 Cl N2 -","- C11 H17 Cl N2 -","- C44 H68 Cl4 N8 -","4","1","HB6474","Fun, Hoong-Kun; Asik, Safra Izuani Jama; Chandrakantha, B.; Isloor, Arun M.; Shetty, Prakash","4-(<i>o</i>-Tolyl)piperazin-1-ium chloride","Acta Crystallographica Section E","2011","67","11","o3115","","10.1107/S1600536811044394","","","0.71073","MoKα","","0.0402","0.0321","","","0.0863","0.092","","","","","","0.948","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232328","7.3029","0.0009","13.211","0.002","17.224","0.003","90","","90","","90","","1661.7","0.4","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,4a<i>S</i>,4 b<i>S</i>,7<i>R</i>,10a<i>R</i>)- 4-Hydroxy-4a,7-dimethyl-2-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a- decahydrophenanthren-1-one","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","HG5120","Caracelli, Ignez; Zukerman-Schpector, Julio; Machado, André T. Lousada; Brocksom, Timothy J.; Ferreira, M. Lúcia; Tiekink, Edward R. T.","(4<i>R</i>,4a<i>S</i>,4b<i>S</i>,7<i>R</i>,10a<i>R</i>)-4-Hydroxy-4a,7-dimethyl-2-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthren-1-one","Acta Crystallographica Section E","2011","67","11","o3136","","10.1107/S1600536811044540","","","0.71073","MoKα","","0.0717","0.0369","","","0.0983","0.1128","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232337","9.476","0.002","14.846","0.004","15.724","0.004","90","","90","","90","","2212.1","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[μ-2,2'-diethyl-1,1'-(propane-1,3-diyl)di-1<i>H</i>-imidazole- κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-5-hydroxyisophthalato- κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc]","","- C21 H24 N4 O5 Zn -","- C21 H24 N4 O5 Zn -","- C84 H96 N16 O20 Zn4 -","4","1","HY2473","Liu, Ying-Ying; Wang, Chun-Jie; Yan, Yong-Sheng","Poly[[μ-2,2'-diethyl-1,1'-(propane-1,3-diyl)di-1<i>H</i>-imidazole-κ^2^<i>N</i>^3^:<i>N</i>^3'^](μ-5-hydroxyisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc]","Acta Crystallographica Section E","2011","67","11","m1544","","10.1107/S1600536811041456","","","0.71073","MoKα","","0.0599","0.0503","","","0.1298","0.1359","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232344","8.0224","0.0002","12.1532","0.0002","15.4147","0.0004","90","","90","","90","","1502.9","0.06","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>R</i>,3<i>R</i>,8<i>R</i>,10<i>S</i>)-3-Chloro-2,8- dihydroxy-3,7-dimethyl-11-methylidene-13-oxabicyclo[8.3.0]tridec-6-en-12-one","","- C15 H21 Cl O4 -","- C15 H21 Cl O4 -","- C60 H84 Cl4 O16 -","4","1","IM2319","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Elhakmaoui, Ahmed; Akssira, Mohamed; Berraho, Moha","(1<i>S</i>,2<i>R</i>,3<i>R</i>,8<i>R</i>,10<i>S</i>)-3-Chloro-2,8-dihydroxy-3,7-dimethyl-11-methylidene-13-oxabicyclo[8.3.0]tridec-6-en-12-one","Acta Crystallographica Section E","2011","67","11","o2826","o2827","10.1107/S1600536811039717","","","0.71073","MoKα","","0.0282","0.0265","","","0.0681","0.0695","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232362","6.7534","0.0008","13.4879","0.0016","31.132","0.004","90","","90","","90","","2835.8","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1361 LCz-1081-1-1 18beta-GA-propargylamide","Propargylaminyl 3α-hydroxy-11-oxo-18β-olean-12-en-29-oate","","- C33 H49 N O3 -","- C33 H49 N O3 -","- C132 H196 N4 O12 -","4","1","JJ2102","Czollner, Laszlo; Jordis, Ulrich; Mereiter, Kurt","Propargylaminyl 3α-hydroxy-11-oxo-18β-olean-12-en-29-oate","Acta Crystallographica Section E","2011","67","11","o3052","o3053","10.1107/S1600536811043534","","","0.71073","MoKα","","0.034","0.0331","","","0.0884","0.0893","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232388","7.7666","0.0005","9.6059","0.0008","31.181","0.002","90","","90","","90","","2326.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10αHydroxy-4,9-dimethyl-13-[(4-phenylpiperazin-1-yl)methyl]- 3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]tetradecan-14-one","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C100 H136 N8 O20 -","4","1","LH5350","Moumou, Mohamed; Benharref, Ahmed; Oudahmane, Abdelghani; Elhakmaoui, Ahmed; Berraho, Moha","10α-Hydroxy-4,9-dimethyl-13-[(4-phenylpiperazin-1-yl)methyl]-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]tetradecan-14-one","Acta Crystallographica Section E","2011","67","11","o2981","o2982","10.1107/S1600536811042012","","","0.71073","MoKα","","0.0484","0.0398","","","0.099","0.1038","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232403","7.737","0.002","13.165","0.004","16.889","0.006","90","","90","","90","","1720.3","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[bis(μ-2-formyl-6-methoxyphenolato)copper(II)sodium]- μ-nitrato]","","- C16 H14 Cu N Na O9 -","- C16 H14 Cu N Na O9 -","- C64 H56 Cu4 N4 Na4 O36 -","4","1","NG5236","Gao, Po; Hou, Hai-Ge; Gao, Ting; Yang, Jing-Lin; Yang, Yu","<i>catena</i>-Poly[[bis(μ-2-formyl-6-methoxyphenolato)copper(II)sodium]-μ-nitrato]","Acta Crystallographica Section E","2011","67","11","m1522","","10.1107/S1600536811040025","","","0.71073","MoKα","","0.0235","0.0213","","","0.0558","0.0566","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232418","7.0047","0.0011","14.171","0.002","21.681","0.003","90","","90","","90","","2152.1","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-{[2-(2-Hydroxyethylamino)ethylimino]methyl}phenol","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C88 H128 N16 O16 -","8","2","PK2347","Germán-Acacio, Juan M.; Tlahuext, Hugo; Höpfl, Herbert","(<i>E</i>)-2-{[2-(2-Hydroxyethylamino)ethylimino]methyl}phenol","Acta Crystallographica Section E","2011","67","11","o2849","","10.1107/S1600536811039997","","","0.71073","MoKα","","0.0627","0.0523","","","0.1102","0.115","","","","","","1.136","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232419","4.9232","0.0005","15.4162","0.0015","18.2102","0.0017","90","","90","","90","","1382.1","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(1-Naphthyl)benzenesulfonamide","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","1","PK2348","Zhang, Sifang; Zhang, Yuewen; Wang, Chuntao; Zhu, Ruitao","<i>N</i>-(1-Naphthyl)benzenesulfonamide","Acta Crystallographica Section E","2011","67","11","o2831","","10.1107/S1600536811039201","","","0.71073","MoKα","","0.0418","0.0348","","","0.0799","0.0839","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232425","5.2985","0.0001","18.8511","0.0003","19.5973","0.0004","90","","90","","90","","1957.43","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,5-Anhydro-3,6-di-<i>O</i>-benzyl-2-deoxy-1,2-<i>C</i>-dichloromethylene- D-<i>glycero</i>-D-<i>gulo</i>-hexitol","","- C21 H22 Cl2 O4 -","- C21 H22 Cl2 O4 -","- C84 H88 Cl8 O16 -","4","1","PV2453","Kinfe, Henok H.; Aderibigbe, Blessing A.; Muller, Alfred","1,5-Anhydro-3,6-di-<i>O</i>-benzyl-2-deoxy-1,2-<i>C</i>-dichloromethylene-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>gulo</i>-hexitol","Acta Crystallographica Section E","2011","67","11","o2888","","10.1107/S1600536811040815","","","1.54178","CuKα","","0.0241","0.0226","","","","0.0547","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232446","6.1649","0.0005","11.9489","0.0009","31.982","0.002","90","","90","","90","","2355.9","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Steroid","3α-Dimethylamino-20-(<i>N</i>-methylacetamido)pregn-5-ene","","- C26 H44 N2 O -","- C26 H44 N2 O -","- C104 H176 N8 O4 -","4","1","RZ2641","Yousuf, S.; Musharraf, S. G.; Iqbal, N.; Adhikari, A.; Choudhary, M. I.","3α-Dimethylamino-20-(<i>N</i>-methylacetamido)pregn-5-ene","Acta Crystallographica Section E","2011","67","11","o2918","","10.1107/S160053681103964X","","","0.71073","MoKα","","0.0619","0.0439","","","0.1117","0.1306","","","","","","1.118","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232501","8.771","0.0003","10.871","0.0004","12.672","0.0004","90","","90","","90","","1208.27","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-(2,6-Dibromo-4-fluoroanilino)pent-3-en-2-one","","- C11 H10 Br2 F N O -","- C11 H10 Br2 F N O -","- C44 H40 Br8 F4 N4 O4 -","4","1","WN2454","Venter, Gertruida J.S.; Steyl, Gideon; Roodt, Andreas","4-(2,6-Dibromo-4-fluoroanilino)pent-3-en-2-one","Acta Crystallographica Section E","2011","67","11","o3092","o3093","10.1107/S1600536811044606","","","0.71073","MoKα","","","0.0281","","","","0.0628","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232507","9.9738","0.0009","10.9397","0.001","27.91","0.003","90","","90","","90","","3045.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(<i>R</i>)-(6-Bromo-2-methoxyquinolin-3- yl)(phenyl)methyl]-<i>N</i>-[(<i>S</i>)-1-(4-methoxyphenyl)ethyl]- 2-(piperazin-1-yl)acetamide","","- C32 H35 Br N4 O3 -","- C32 H35 Br N4 O3 -","- C128 H140 Br4 N16 O12 -","4","1","XU5339","Yuan, Lei; Wang, Rui; Li, Chang-Yi; Wang, Zhi-Qiang; Sun, Tie-Min","<i>N</i>-[(<i>R</i>)-(6-Bromo-2-methoxyquinolin-3-yl)(phenyl)methyl]-<i>N</i>-[(<i>S</i>)-1-(4-methoxyphenyl)ethyl]-2-(piperazin-1-yl)acetamide","Acta Crystallographica Section E","2011","67","11","o2921","","10.1107/S1600536811040955","","","0.71073","MoKα","","0.0772","0.0564","","","0.1561","0.1703","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232525","7.3497","0.0002","11.1642","0.0003","17.0758","0.0012","90","","90","","90","","1401.13","0.11","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(8S)-12,17-Epoxy-13,14,15,16-tetranorlabdane (pyamber)","(4a<i>R</i>,6a<i>S</i>,10a<i>R</i>,10b<i>S</i>)-7,7,10a- Trimethyl-1,4,4a,5,6,6a,7,8,9,10,10a,10b- dodecahydro-2<i>H</i>-naphtho[2,1-<i>c</i>]pyran","","- C16 H28 O -","- C16 H28 O -","- C64 H112 O4 -","4","1","ZJ2024","Evans, Gary B.; Gainsford, Graeme J.","(4a<i>R</i>,6a<i>S</i>,10a<i>R</i>,10b<i>S</i>)-7,7,10a-Trimethyl-1,4,4a,5,6,6a,7,8,9,10,10a,10b-dodecahydro-2<i>H</i>-naphtho[2,1-<i>c</i>]pyran (Pyamber)","Acta Crystallographica Section E","2011","67","11","o2870","","10.1107/S1600536811038694","","","1.54178","CuKα","","0.0366","0.034","","","0.0884","0.0912","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232527","9.13","0.0013","9.706","0.0014","16.701","0.002","90","","90","","90","","1480","0.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(6<i>R</i>,7<i>R</i>)-3-Hydroxymethyl-7-(2-phenylacetamido)-3-cephem- 4-carboxylic acid lactone","<i>N</i>-[(4<i>R</i>,5<i>R</i>)-3,11-Dioxo-10-oxa-6-thia-2- azatricyclo[6.3.0.0^2,5^]undec-1(8)-en-4-yl]-2-phenylacetamide","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C64 H56 N8 O16 S4 -","4","1","ZJ2026","Zhou, Xiao-Liang; Wang, Hao; Wang, Yan; Shi, Pei-Ji","(6<i>R</i>,7<i>R</i>)-3-Hydroxymethyl-7-(2-phenylacetamido)-3-cephem-4-carboxylic acid lactone","Acta Crystallographica Section E","2011","67","11","o3101","","10.1107/S1600536811043881","","","0.71075","MoKα","","0.0315","0.0274","","","0.0636","0.065","","","","","","1.017","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232532","12.7747","0.0003","13.2926","0.0003","15.4218","0.0004","90","","90","","90","","2618.76","0.11","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Thailandepsin A","(<i>E</i>)-(1<i>S</i>,5<i>S</i>,6<i>R</i>,9<i>S</i>,20<i>R</i>)-6-[(2<i>S</i>)- butan-2-yl]-5-hydroxy-20-[2-(methylsulfanyl)ethyl]-2-oxa-11,12-dithia- 7,19,22-triazabicyclo[7.7.6]docosa-15-ene-3,8,18,21-tetraone","","- C23 H37 N3 O6 S3 -","- C23 H37 N3 O6 S3 -","- C92 H148 N12 O24 S12 -","4","1","ZL2411","Wang, Cheng; Cheng, Yi-Qiang","Thailandepsin A","Acta Crystallographica Section E","2011","67","11","o2948","o2949","10.1107/S1600536811041390","","","1.54178","CuKα","","0.0269","0.0269","","","0.0711","0.0711","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232538","6.9611","0.0002","12.6093","0.0002","17.4933","0.0003","90","","90","","90","","1535.47","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Amino-4-phenyl-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile‒ 3-amino-1-phenyl-9,10-dihydrophenanthrene-2,4-dicarbonitrile (5/3)","","- C20.75 H15 N3 -","- C20.75 H15 N3 -","- C83 H60 N12 -","4","1","ZS2145","Asiri, Abdullah M.; Al-Youbi, Abdulrahman O.; Faidallah, Hassan M.; Ng, Seik Weng","2-Amino-4-phenyl-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile‒3-amino-1-phenyl-9,10-dihydrophenanthrene-2,4-dicarbonitrile (5/3)","Acta Crystallographica Section E","2011","67","11","o2872","","10.1107/S1600536811040505","","","1.54184","CuKα","","0.0427","0.0404","","","0.1161","0.1192","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232542","8.6412","0.0002","10.7998","0.0002","36.1685","0.0007","90","","90","","90","","3375.36","0.12","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","tuberostemoamide hemihydrate","(1'<i>S</i>,2<i>R</i>,2'<i>R</i>,3'<i>S</i>,6'<i>R</i>)-3'-ethyl-4-methyl- 5<i>H</i>-5'-oxa-10'-azaspiro[furan-2,4'-tricyclo[8.3.0.0^2,6^]tridecane]- 5,11'-dione hemihydrate","","- C17 H24 N O4.5 -","- C17 H24 N O4.5 -","- C136 H192 N8 O36 -","8","2","ZS2152","Zhang, Rong-Rong; Ma, Zhi-Guo; Li, Guo-Qiang; But, Paul Pui-Hay; Jiang, Ren-Wang","Tuberostemoamide hemihydrate","Acta Crystallographica Section E","2011","67","11","o3056","","10.1107/S1600536811043340","","","1.54184","CuKα","","0.053","0.0497","","","0.1376","0.1421","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232546","3.8857","0.0005","11.0349","0.0017","22.186","0.003","90","","90","","90","","951.3","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(1,3-Benzothiazol-2-yl)guanidinium chloride","","- C8 H9 Cl N4 S -","- C8 H9 Cl N4 S -","- C32 H36 Cl4 N16 S4 -","4","1","ZS2157","Mohamed, Shaaban K.; Horton, Peter N.; El-Remaily, Mahmoud A.A.; Ng, Seik Weng","2-(1,3-Benzothiazol-2-yl)guanidinium chloride","Acta Crystallographica Section E","2011","67","11","o3132","","10.1107/S1600536811044643","","","0.71073","MoKα","","0.0303","0.0298","","","0.076","0.0762","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232553","7.5101","0.0003","11.1065","0.0004","15.0228","0.0006","90","","90","","90","","1253.07","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,6<i>S</i>,2<i>R</i>)-9,13-dimethyl-5-methylene-3- oxatricyclo[8.3.0.0^2,6^]trideca-9,12-diene-4,11-dione","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","BG2432","Priestap, Horacio A.; Abboud, Khalil A.; Velandia, Alvaro E.; Lopez, Luis A.; Barbieri, Manuel A.","Dehydroleucodin: a guaiane-type sesquiterpene lactone","Acta Crystallographica Section E","2011","67","12","o3470","","10.1107/S1600536811048938","","","1.54178","CuKα","","0.0271","0.0269","","","0.0683","0.0684","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232566","8.8791","0.0002","9.221","0.0002","27.1292","0.0006","90","","90","","90","","2221.18","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1521","{(<i>R</i>,<i>S</i>~Fc~,<i>S</i>~Fc~)-2''-Bromo-2-[1-(dimethylamino)ethyl- κ<i>N</i>]-1,1''-biferrocene}trihydridoboron","","- C24 H29 B Br Fe2 N -","- C24 H29 B Br Fe2 N -","- C96 H116 B4 Br4 Fe8 N4 -","4","1","BQ2322","Wang, Yaping; Zirakzadeh, Afrooz; Weissensteiner, Walter; Mereiter, Kurt","{(<i>R</i>,<i>S</i>~Fc~,<i>S</i>~Fc~)-2''-Bromo-2-[1-(dimethylamino)ethyl-κ<i>N</i>]-1,1''-biferrocene}trihydridoboron","Acta Crystallographica Section E","2011","67","12","m1806","m1807","10.1107/S1600536811049270","","","0.71073","MoKα","","0.0246","0.0231","","","0.0529","0.0535","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232628","4.917","0.002","6.033","0.004","26.68","0.012","90","","90","","90","","791.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(4-Chlorophenyl)acetamide","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","CV5191","Ma, Dong-Sheng; Liu, Pei-Jiang; Zhang, Shuai; Hou, Guang-Feng","2-(4-Chlorophenyl)acetamide","Acta Crystallographica Section E","2011","67","12","o3261","","10.1107/S1600536811046836","","","0.71073","MoKα","","0.0502","0.0366","","","0.0772","0.083","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232633","6.125","0.003","13.763","0.006","21.537","0.009","90","","90","","90","","1815.5","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>cis</i>-<i>N</i>^1^,<i>N</i>^2^-Bis(2-hydroxybenzylidene)cyclohexane- 1,2-diamine","2-(<i>N</i>-{2-[(2-hydroxybenzylidene)amino]cyclohexyl}carboximidoyl)phenol","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","CV5199","Fan, Ping; Ge, Chunhua; Zhang, Xiangdong; Zhang, Rui; Li, Su","<i>cis</i>-<i>N</i>^1^,<i>N</i>^2^-Bis(2-hydroxybenzylidene)cyclohexane-1,2-diamine","Acta Crystallographica Section E","2011","67","12","o3399","","10.1107/S1600536811049038","","","0.71073","MoKα","","0.1064","0.0437","","","0.0923","0.1154","","","","","","0.988","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232704","6.5507","0.0009","11.733","0.001","22.338","0.003","90","","90","","90","","1716.9","0.4","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>*,4a<i>S</i>*,4b<i>S</i>*,5<i>R</i>*,10a<i>R</i>*)-4-Hydroxy-4a,5-\ dimethyl-2-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthren-1-one","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","HB6477","Caracelli, Ignez; Zukerman-Schpector, Julio; Machado, André T. Lousada; Brocksom, Timothy J.; Ferreira, M. Lúcia; Tiekink, Edward R. T.","(4<i>R</i>*,4a<i>S</i>*,4b<i>S</i>*,5<i>R</i>*,10a<i>R</i>*)-4-Hydroxy-4a,5-dimethyl-2-(propan-2-yl)-1,4,4a,4b,5,6,7,8,10,10a-decahydrophenanthren-1-one","Acta Crystallographica Section E","2011","67","12","o3338","","10.1107/S1600536811048008","","","0.71073","MoKα","","0.1028","0.0372","","","0.0958","0.1219","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232718","8.3236","0.0017","13.484","0.003","15.808","0.003","90","","90","","90","","1774.2","0.6","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Benzyltriethylammonium aquatrichloridozinc","","- C13 H24 Cl3 N O Zn -","- C13 H24 Cl3 N O Zn -","- C52 H96 Cl12 N4 O4 Zn4 -","4","1","HB6492","Jin, Lei","Benzyltriethylammonium aquatrichloridozincate","Acta Crystallographica Section E","2011","67","12","m1793","","10.1107/S1600536811048823","","","0.71073","MoKα","","0.0428","0.034","","","0.0736","0.077","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232722","9.888","0.003","10.696","0.003","21.158","0.005","90","","90","","90","","2237.7","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl 2-{[2,8-bis(trifluoromethyl)quinolin-4- yl](hydroxy)methyl}piperidine-1-carboxylate","","- C22 H24 F6 N2 O3 -","- C22 H24 F6 N2 O3 -","- C88 H96 F24 N8 O12 -","4","1","HB6499","Gonçalves, Raoni S. B.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","<i>tert</i>-Butyl 2-{[2,8-bis(trifluoromethyl)quinolin-4-yl](hydroxy)methyl}piperidine-1-carboxylate","Acta Crystallographica Section E","2011","67","12","o3315","o3316","10.1107/S1600536811047726","","","1.54187","CuKα","","0.0547","0.0541","","","0.1282","0.1297","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2232736","8.127","0.0001","9.4681","0.0001","22.3297","0.0003","90","","90","","90","","1718.21","0.04","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2,4-bis(4-fluorophenyl)-6-methoxybenzoate","Methyl 4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-carboxylate","","- C21 H16 F2 O3 -","- C21 H16 F2 O3 -","- C84 H64 F8 O12 -","4","1","HB6516","Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","Methyl 4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-carboxylate","Acta Crystallographica Section E","2011","67","12","o3390","","10.1107/S1600536811048719","","","0.71073","MoKα","","0.059","0.0475","","","0.0959","0.102","","","","","","1.127","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232761","9.0463","0.0001","17.6687","0.0002","19.6178","0.0002","90","","90","","90","","3135.64","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,3<i>S</i>)-<i>N</i>-Benzhydryl-2-benzyl-6,7-dimethoxy-1-phenyl- 1,2,3,4-tetrahydroisoquinoline-3-carbothioamide","","- C38 H36 N2 O2 S -","- C38 H36 N2 O2 S -","- C152 H144 N8 O8 S4 -","4","1","HG5134","Naicker, Tricia; Govender, Thavendran; Kruger, Hendrick. G.; Maguire, Glenn E. M.","(1<i>R</i>,3<i>S</i>)-<i>N</i>-Benzhydryl-2-benzyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carbothioamide","Acta Crystallographica Section E","2011","67","12","o3441","","10.1107/S1600536811049324","","","0.71073","MoKα","","0.04","0.0331","","","0.0873","0.09","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232845","4.7774","0.0011","11.367","0.003","16.159","0.004","90","","90","","90","","877.5","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetic acid","","- C9 H7 N O3 S -","- C9 H7 N O3 S -","- C36 H28 N4 O12 S4 -","4","1","LH5367","Wang, Xiang-hui; Yang, Jian-Xin; You, Cheng-hang; Tan, Xue-mei; Lin, Qiang","2-(3-Oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetic acid","Acta Crystallographica Section E","2011","67","12","o3295","","10.1107/S1600536811047490","","","0.71073","MoKα","","0.0372","0.0323","","","0.0659","0.0676","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232873","5.2277","0.0002","14.8549","0.0005","17.0509","0.0005","90","","90","","90","","1324.12","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Prop-2-yn-1-yl 4,6-di-<i>O</i>-acetyl-2,3-dideoxy-α-D-<i>erythro</i>-hex-2- enopyranoside","","- C13 H16 O6 -","- C13 H16 O6 -","- C52 H64 O24 -","4","1","NC2253","Mesfin, Fanuel M.; Kinfe, Henok H.; Muller, Alfred","Prop-2-yn-1-yl 4,6-di-<i>O</i>-acetyl-2,3-dideoxy-α-<small>D</small>-<i>erythro</i>-hex-2-enopyranoside","Acta Crystallographica Section E","2011","67","12","o3308","","10.1107/S1600536811047246","","","1.54178","CuKα","","0.0243","0.0233","","","","0.0582","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232882","6.4644","0.0001","8.1978","0.0003","25.176","0.0005","90","","90","","90","","1334.17","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1-Adamantyl)(3-aminophenyl)methanone","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","PK2356","Rouchal, Michal; Nečas, Marek; Vícha, Robert","(1-Adamantyl)(3-aminophenyl)methanone","Acta Crystallographica Section E","2011","67","12","o3198","","10.1107/S1600536811046009","","","0.71073","MoKα","","0.0331","0.0295","","","0.0721","0.0731","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232936","5.6505","0.0002","9.9204","0.0003","23.0561","0.0006","90","","90","","90","","1292.41","0.07","100","0.1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Hydroxy-2-(4-methoxybenzenesulfonamido)butanoic acid","","- C11 H15 N O6 S -","- C11 H15 N O6 S -","- C44 H60 N4 O24 S4 -","4","1","RZ2664","Sinha, Suman; Osman, Hasnah; Wahab, Habibah A.; Hemamalini, Madhukar; Fun, Hoong-Kun","3-Hydroxy-2-(4-methoxybenzenesulfonamido)butanoic acid","Acta Crystallographica Section E","2011","67","12","o3275","","10.1107/S1600536811046502","","","0.71073","MoKα","","0.0301","0.0283","","","0.0712","0.0725","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232946","9.078","0.005","13.043","0.005","17.755","0.005","90","","90","","90","","2102.3","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Isopropyltriphenylphosphonium bromide monohydrate","","- C21 H24 Br O P -","- C21 H24 Br O P -","- C84 H96 Br4 O4 P4 -","4","1","SU2327","Wang, Hai; Zhang, Xi-Man; Li, Ping; Chen, Hong-Yu","Isopropyltriphenylphosphonium bromide monohydrate","Acta Crystallographica Section E","2011","67","12","o3149","","10.1107/S1600536811044849","","","0.71069","MoKα","","0.0679","0.0486","","","0.1306","0.1403","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232950","6.9881","0.0001","11.0108","0.0002","34.9733","0.0007","90","","90","","90","","2691.01","0.08","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(20<i>S</i>*,24<i>S</i>*)-25-Hydroxy-20,24-epoxy-<i>A</i>-homo-4-oxadammaran- 3-one","","- C30 H50 O4 -","- C30 H50 O4 -","- C120 H200 O16 -","4","1","SU2332","Mahmod, Ilya Iryani; Kwong, Huey Chong; Mohamed Tahir, Mohamed Ibrahim; Ismail, Intan Safinar","(20<i>S</i>*,24<i>S</i>*)-25-Hydroxy-20,24-epoxy-<i>A</i>-homo-4-oxadammaran-3-one (Chrysura) isolated from the leaves of <i>Walsura chrysogyne</i>","Acta Crystallographica Section E","2011","67","12","o3296","","10.1107/S1600536811047337","","","1.54178","CuKα","","0.0919","0.0917","","","0.2328","0.2328","","","","","","1.214","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232955","8.47","0.0001","13.1515","0.0002","20.706","0.0002","90","","90","","90","","2306.51","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>R</i>)-1-(4-Chlorophenyl)-2-[(<i>S</i>)-2-nitro-1-phenylethyl]- 3-phenylpentan-1-one","","- C25 H24 Cl N O3 -","- C25 H24 Cl N O3 -","- C100 H96 Cl4 N4 O12 -","4","1","SU2340","Duo, De-Long; Ni, Cheng-Yan; Wen, Qing-Song","(2<i>R</i>,3<i>R</i>)-1-(4-Chlorophenyl)-2-[(<i>S</i>)-2-nitro-1-phenylethyl]-3-phenylpentan-1-one","Acta Crystallographica Section E","2011","67","12","o3495","","10.1107/S1600536811050306","","","1.54184","CuKα","","0.0358","0.0349","","","0.0982","0.0993","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2232961","6.5539","0.0008","11.5029","0.0015","19.524","0.003","90","","90","","90","","1471.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-Dicyclohexylimidazolidine-2,4,5-trione","","- C15 H22 N2 O3 -","- C15 H22 N2 O3 -","- C60 H88 N8 O12 -","4","1","TK5010","Talhi, Oualid; Fernandes, José A.; Pinto, Diana C. G. A.; Silva, Artur M. S.; Almeida Paz, Filipe A.","1,3-Dicyclohexylimidazolidine-2,4,5-trione","Acta Crystallographica Section E","2011","67","12","o3243","","10.1107/S1600536811046253","","","0.71073","MoKα","","0.1495","0.1056","","","0.2824","0.3201","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2232999","9.7124","0.0004","13.9401","0.0007","16.3729","0.0008","90","","90","","90","","2216.76","0.18","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,4<i>S</i>,5<i>R</i>,7<i>S</i>,8<i>S</i>,9<i>R</i>,10<i>R</i>, 11<i>S</i>,13<i>S</i>,14<i>S</i>,16<i>S</i>,17<i>R</i>)-<i>N</i>-methyl- 8,14-dihydroxy-1,16-trimethoxy-4-(methoxymethylene)aconitane","","- C24 H39 N O5 -","- C24 H39 N O5 -","- C96 H156 N4 O20 -","4","1","XU5344","Lei, Jun; Luo, Ya-Jun; Bian, Qing-Quan; Wang, Xiong-Qing","Talatisamine, a C~19~-diterpenoid alkaloid from Chinese traditional herbal `Chuanwu'","Acta Crystallographica Section E","2011","67","12","o3145","o3146","10.1107/S1600536811044242","","","0.7107","MoKα","","0.0592","0.0439","","","0.0889","0.0967","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233015","7.1067","0.0016","14.08","0.004","16.745","0.006","90","","90","","90","","1675.5","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[[tetraaqua(μ~3~-naphthalene-1,6-disulfonato- κ^4^<i>O</i>^1^:<i>O</i>^6^,<i>O</i>^6'^:<i>O</i>^6''^)strontium] monohydrate]","","- C10 H16 O11 S2 Sr -","- C10 H16 O11 S2 Sr -","- C40 H64 O44 S8 Sr4 -","4","1","XU5382","Gao, Shan; Ng, Seik Weng","Poly[[tetraaqua(μ~3~-naphthalene-1,6-disulfonato-κ^4^<i>O</i>^1^:<i>O</i>^6^,<i>O</i>^6'^:<i>O</i>^6''^)strontium(II)] monohydrate]","Acta Crystallographica Section E","2011","67","12","m1767","m1768","10.1107/S1600536811047593","","","0.71073","MoKα","","0.028","0.0244","","","0.0553","0.0565","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233088","3.9681","0.0002","14.3029","0.0003","19.21","0.0005","90","","90","","90","","1090.27","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(Furan-2-ylmethoxy)benzene-1,2-dicarbonitrile","","- C13 H8 N2 O2 -","- C13 H8 N2 O2 -","- C52 H32 N8 O8 -","4","1","BQ2327","Tuncer, Hülya; Görgülü, Ahmet Orhan; Hökelek, Tuncer","4-(Furan-2-ylmethoxy)benzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2012","68","1","o153","","10.1107/S1600536811053669","","","0.71073","MoKα","","0.0937","0.048","","","0.1006","0.1413","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233100","8.9795","0.0005","10.159","0.0005","25.105","0.0013","90","","90","","90","","2290.1","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-3-(4-Chlorophenyl)-2-{[<i>N</i>-(2-formylphenyl)-4- methylbenzenesulfonamido]methyl}prop-2-enenitrile","","- C24 H19 Cl N2 O3 S -","- C24 H19 Cl N2 O3 S -","- C96 H76 Cl4 N8 O12 S4 -","4","1","BT5740","Madhanraj, R.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","(<i>Z</i>)-3-(4-Chlorophenyl)-2-{[<i>N</i>-(2-formylphenyl)-4-methylbenzenesulfonamido]methyl}prop-2-enenitrile","Acta Crystallographica Section E","2012","68","1","o56","o57","10.1107/S160053681105241X","","","0.71073","MoKα","","0.0679","0.0409","","","0.0979","0.1108","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233104","6.0666","0.0005","10.09","0.0009","23.747","0.002","90","","90","","90","","1453.6","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(8a-hydroxy-4a-methyl-8-methylenedecahydronaphthalen-2-yl)acrylate","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","1","BT5751","Tebbaa, Mohamed; Benharref, Ahmed; Oudahmane, Abdelghani; Mellouki, Fouad; Berraho, Moha","Methyl 2-(8a-hydroxy-4a-methyl-8-methylenedecahydronaphthalen-2-yl)acrylate","Acta Crystallographica Section E","2012","68","1","o165","","10.1107/S1600536811053712","","","0.71073","MoKα","","0.0798","0.0461","","","0.0982","0.1143","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233108","7.257","0.001","16.023","0.001","21.04","0.002","90","","90","","90","","2446.5","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tetrakis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc bis(tetrafluoridoborate)","","- C16 H24 B2 F8 N8 Zn -","- C16 H24 B2 F8 N8 Zn -","- C64 H96 B8 F32 N32 Zn4 -","4","1","BV2196","Reedijk, Jan; van Albada, Gerard A.; Limburg, Bart; Mutikainen, Ilpo; Turpeinen, Urho","Tetrahedral zinc in tetrakis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)zinc bis(tetrafluoridoborate)","Acta Crystallographica Section E","2012","68","1","m90","","10.1107/S1600536811054821","","","0.71073","MoKα","","0.0335","0.0267","","","0.0643","0.0683","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233114","6.8527","0.0004","8.6643","0.0005","17.5572","0.0015","90","","90","","90","","1042.44","0.12","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5<i>S</i>)-5-Methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one","","- C10 H9 N O S2 -","- C10 H9 N O S2 -","- C40 H36 N4 O4 S8 -","4","1","CV5203","Jiang, Jun-Rong; Xu, Feng; Ke, Zhong-Lu; Li, Li","(5<i>S</i>)-5-Methyl-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2012","68","1","o34","","10.1107/S1600536811051312","","","0.71073","MoKα","","0.0321","0.0281","","","0.062","0.0636","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233139","9.0604","0.0009","14.3239","0.0014","17.9617","0.0018","90","","90","","90","","2331.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-(Ethene-1,2-diyl)bis(diphenylphosphine selenide)","","- C26 H22 P2 Se2 -","- C26 H22 P2 Se2 -","- C104 H88 P8 Se8 -","4","1","FJ2485","Phasha, Zanele; Makhoba, Sizwe; Muller, Alfred","<i>trans</i>-(Ethene-1,2-diyl)bis(diphenylphosphine selenide)","Acta Crystallographica Section E","2012","68","1","o44","","10.1107/S160053681105183X","","","0.71073","MoKα","","0.0295","0.0251","","","","0.0533","","","","","","1.013","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233151","5.9354","0.0001","13.3091","0.0002","22.1511","0.0003","90","","90","","90","","1749.82","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>2R</i>)-8-Benzyl-2-[(<i>S</i>)-hydroxy(phenyl)methyl]-8- azabicyclo[3.2.1]octan-3-one","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","GK2429","Brzezinski, Krzysztof; Lazny, Ryszard; Sienkiewicz, Michal; Wojtulewski, Sławomir; Dauter, Zbigniew","(<i>2R</i>)-8-Benzyl-2-[(<i>S</i>)-hydroxy(phenyl)methyl]-8-azabicyclo[3.2.1]octan-3-one","Acta Crystallographica Section E","2012","68","1","o149","o150","10.1107/S1600536811053190","","","1.5418","CuKα","","0.0272","0.0268","","","0.07","0.0703","","","","","","1.177","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233210","7.8056","0.0004","11.9034","0.0006","18.9109","0.0009","90","","90","","90","","1757.07","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Bromo-4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-6-methoxyphenol","","- C18 H20 Br N O3 -","- C18 H20 Br N O3 -","- C72 H80 Br4 N4 O12 -","4","1","IS5016","Hariono, Maywan; Ngah, Nurziana; Wahab, Habibah A.; Abdul Rahim, Aisyah Saad","2-Bromo-4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-6-methoxyphenol","Acta Crystallographica Section E","2012","68","1","o35","o36","10.1107/S1600536811051269","","","0.71073","MoKα","","0.0249","0.0232","","","0.0549","0.0555","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233222","5.0869","0.001","9.4622","0.0019","32.318","0.007","90","","90","","90","","1555.6","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one dihydrate","","- C16 H18 O7 -","- C16 H18 O7 -","- C64 H72 O28 -","4","1","KJ2193","Brito, Iván; Bórquez, Jorge; Simirgiotis, Mario; Cárdenas, Alejandro; López-Rodríguez, Matías","4',5-Dihydroxy-7-methoxyflavanone dihydrate","Acta Crystallographica Section E","2012","68","1","o32","o33","10.1107/S1600536811051221","","","0.71073","MoKα","","0.0945","0.0752","","","0.1697","0.1798","","","","","","1.17","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233233","5.7224","0.0003","10.5839","0.0005","16.8532","0.001","90","","90","","90","","1020.72","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(3<i>S</i>)-5-Oxooxolan-3-yl]isoindoline-1,3-dione","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","1","LH5369","Wang, Hui; Liu, Changlu; Luo, Feihua","2-[(3<i>S</i>)-5-Oxooxolan-3-yl]isoindoline-1,3-dione","Acta Crystallographica Section E","2012","68","1","o24","","10.1107/S160053681105135X","","","0.71073","MoKα","","0.0311","0.0284","","","0.0708","0.0728","","","","","","1.203","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233234","11.341","0.002","11.669","0.002","11.748","0.002","90","","90","","90","","1554.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-(4-Hydroxybenzylidene)ferrocene-1-carbohydrazide","","- C18 H16 Fe N2 O2 -","- C18 H16 Fe N2 O2 -","- C72 H64 Fe4 N8 O8 -","4","1","LH5370","Li, Wen-juan; Song, Manman; Xu, Yan","<i>N</i>'-(4-Hydroxybenzylidene)ferrocene-1-carbohydrazide","Acta Crystallographica Section E","2012","68","1","m8","","10.1107/S1600536811050835","","","0.71073","MoKα","","0.0567","0.0466","","","0.0905","0.0965","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233241","7.895","0.002","8.512","0.002","19.884","0.005","90","","90","","90","","1336.2","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Chloro-1-[4-(2,4-difluorobenzyl)piperazin-1-yl]ethanone","","- C13 H15 Cl F2 N2 O -","- C13 H15 Cl F2 N2 O -","- C52 H60 Cl4 F8 N8 O4 -","4","1","LH5389","Zhang, Bo; Damu, Guri L. V.; Lv, Jing-Song; Zhou, Cheng-He","2-Chloro-1-[4-(2,4-difluorobenzyl)piperazin-1-yl]ethanone","Acta Crystallographica Section E","2012","68","1","o70","","10.1107/S1600536811052597","","","0.71073","MoKα","","0.0322","0.031","","","0.0847","0.0858","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233244","13.04","0.003","13.228","0.003","20.602","0.004","90","","90","","90","","3553.7","1.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 Cl2 Fe N4 -","- C34 H36 Cl2 Fe N4 -","- C136 H144 Cl8 Fe4 N16 -","4","1","LH5395","Zhang, Yanyu; Wu, Qiaolin; Mu, Ying","{(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-Bis[2-(<i>N</i>-methylanilino)benzylidene]cyclohexane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}dichloridoiron(II)","Acta Crystallographica Section E","2012","68","1","m64","","10.1107/S1600536811053773","","","0.71073","MoKα","","0.0489","0.0368","","","0.0881","0.0925","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233274","6.6986","0.0015","10.6222","0.0014","23.989","0.004","90","","90","","90","","1706.9","0.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Bromo-1,3-diisopropyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium dicyanidoargentate","","- C13 H20 Ag Br N4 -","- C13 H20 Ag Br N4 -","- C52 H80 Ag4 Br4 N16 -","4","1","QK2020","Mallah, Eyad; Sweidan, Kamal; Abu-Salem, Qutaiba; Abu Dayyih, Wael; Steimann, Manfred","2-Bromo-1,3-diisopropyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium dicyanidoargentate","Acta Crystallographica Section E","2012","68","1","m17","","10.1107/S1600536811051828","","","0.71073","MoKα","","0.1664","0.0517","","","0.066","0.0823","","","","","","0.978","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233288","8.5197","0.0011","9.5225","0.0012","22.871","0.003","90","","90","","90","","1855.5","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-carboxylate","","- C22 H18 F2 O3 -","- C22 H18 F2 O3 -","- C88 H72 F8 O12 -","4","1","RZ2682","Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.","Ethyl 4,4''-difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-carboxylate","Acta Crystallographica Section E","2012","68","1","o172","","10.1107/S160053681105344X","","","0.71073","MoKα","","0.0825","0.0565","","","0.1511","0.1705","","","","","","1.102","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233317","10.593","0.006","12.426","0.007","17.099","0.01","90","","90","","90","","2251","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","kallolide A acetate pyrazoline","7-methyl-16-oxo-4,10-bis(prop-1-en-2-yl)-17,18-dioxa-14,15- diazatetracyclo[9.4.2.1^6,9^.0^1,12^]octadeca-6,8,14-trien-5-yl acetate","","- C23 H28 N2 O5 -","- C23 H28 N2 O5 -","- C92 H112 N8 O20 -","4","1","WN2456","Rodríguez-Escudero, Idaliz; Marrero, Jeffrey; Rodríguez, Abimael D.","Kallolide A acetate pyrazoline","Acta Crystallographica Section E","2012","68","1","o41","o42","10.1107/S1600536811051890","","","0.71073","MoKα","","0.0579","0.0472","","","0.1115","0.1182","","","","","","1.127","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233327","4.388","0.0004","13.121","0.0011","19.8722","0.0016","90","","90","","90","","1144.14","0.17","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(11a<i>S</i>)-7-Bromo-2,3,5,10,11,11a-hexahydro-1<i>H</i>- pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-3,11-dione","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C48 H44 Br4 N8 O8 -","4","1","XU5404","Ma, Chao; Wang, Zhen-Zhong; Pan, Li; Tian, Yu; Xiao, Wei","(11a<i>S</i>)-7-Bromo-2,3,5,10,11,11a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepine-3,11-dione","Acta Crystallographica Section E","2012","68","1","o126","","10.1107/S1600536811052962","","","0.71073","MoKα","","0.0251","0.0222","","","0.0556","0.0567","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233357","10.601","0.002","15.762","0.004","16.793","0.004","90","","90","","90","","2806","1.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7-Methoxy-3-(4-methoxyphenyl)chroman-4-one","","- C17 H16 O4 -","- C17 H16 O4 -","- C136 H128 O32 -","8","2","AA2036","Peng, Zhi-Yun; Liu, Xiao-Yang; Yang, Ye-Ling; Xiang, Kai-Shuang; Xiao, Zhu-Ping","7-Methoxy-3-(4-methoxyphenyl)chroman-4-one","Acta Crystallographica Section E","2012","68","2","o250","","10.1107/S1600536811055048","","","0.71073","MoKα","","0.0896","0.0525","","","0.1265","0.1412","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233380","9.2721","0.0002","13.6449","0.0003","17.1883","0.0004","90","","90","","90","","2174.61","0.08","120","0.14","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,1'-[(2-Phenyl-2,3-dihydro-1<i>H</i>-benzimidazole-1,3- diyl)bis(methylene)]bis(1<i>H</i>-benzotriazole)","","- C27 H22 N8 -","- C27 H22 N8 -","- C108 H88 N32 -","4","1","BT5766","Rivera, Augusto; Osorio, Hector Jairo; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","1,1'-[(2-Phenyl-2,3-dihydro-1<i>H</i>-benzimidazole-1,3-diyl)bis(methylene)]bis(1<i>H</i>-benzotriazole)","Acta Crystallographica Section E","2012","68","2","o301","","10.1107/S1600536811055486","","","1.5418","CuKα","","0.0276","0.0267","","","0.0789","0.0795","","","","","","1.8","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233382","8.8626","0.0003","9.4552","0.0003","17.408","0.0005","90","","90","","90","","1458.75","0.08","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(1a,4a-dimethyl-2,8-dioxo-2,3,4,4a,5,6,7,8-octahydro-1a<i>H</i>- 1-oxacyclopropa[<i>d</i>]naphthalen-7-yl)acrylate","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","BT5772","Tebbaa, Mohamed; Benharref, Ahmed; Daran, Jean Claude; Mellouki, Fouad; Berraho, Moha","Methyl 2-(1a,4a-dimethyl-2,8-dioxo-2,3,4,4a,5,6,7,8-octahydro-1a<i>H</i>-1-oxacyclopropa[<i>d</i>]naphthalen-7-yl)acrylate","Acta Crystallographica Section E","2012","68","2","o387","","10.1107/S1600536812000086","","","0.71073","MoKα","","0.0299","0.0281","","","0.0744","0.0754","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233385","6.6825","0.0006","7.7926","0.0005","23.718","0.0012","90","","90","","90","","1235.09","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-2-Methoxy-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","1","BT5776","Kan Kaynar, Nihal; Gümüs, Sümeyye; Ağar, Erbil; Büyükgüngör, Orhan; Yavuz, Metin","(<i>Z</i>)-2-Methoxy-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","2","o393","","10.1107/S160053681200044X","","","0.71073","MoKα","","0.0639","0.0371","","","0.0625","0.0689","","","","","","0.933","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233386","5.5058","0.0011","15.734","0.003","21.302","0.004","90","","90","","90","","1845.4","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,2<i>R</i>,<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4- chlorobenzylidene)cyclohexane-1,2-diamine","","- C20 H20 Cl2 N2 -","- C20 H20 Cl2 N2 -","- C80 H80 Cl8 N8 -","4","1","BT5777","Arvinnezhad, Hamid; Jadidi, Khosrow; Notash, Behrouz","(1<i>R</i>,2<i>R</i>,<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)cyclohexane-1,2-diamine","Acta Crystallographica Section E","2012","68","2","o407","o408","10.1107/S1600536812000724","","","0.71073","MoKα","","0.0726","0.0537","","","0.1045","0.1134","","","","","","1.125","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233404","8.8814","0.0008","9.8586","0.001","26.434","0.003","90","","90","","90","","2314.5","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Ammonium diamminesilver(I) bis(5-chloro-2-hydroxybenzenesulfonate) trihydrate","","- C12 H24 Ag Cl2 N3 O11 S2 -","- C12 H24 Ag Cl2 N3 O11 S2 -","- C48 H96 Ag4 Cl8 N12 O44 S8 -","4","1","BT5802","Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng","Ammonium diamminesilver(I) bis(5-chloro-2-hydroxybenzenesulfonate) trihydrate","Acta Crystallographica Section E","2012","68","2","m225","","10.1107/S160053681200339X","","","0.71073","MoKα","","0.0342","0.0319","","","0.0815","0.0835","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233408","5.9602","0.0003","17.2164","0.0008","17.7222","0.0008","90","","90","","90","","1818.53","0.15","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2'-[1,3-Diazinane-1,3-diylbis(methylene)]bis(4-bromophenol)","","- C18 H20 Br2 N2 O2 -","- C18 H20 Br2 N2 O2 -","- C72 H80 Br8 N8 O8 -","4","1","BX2397","Rivera, Augusto; Trujillo, Ginna Paola; Ríos-Motta, Jaime; Fejfarová, Karla; Dušek, Michal","2,2'-[1,3-Diazinane-1,3-diylbis(methylene)]bis(4-bromophenol)","Acta Crystallographica Section E","2012","68","2","o498","","10.1107/S1600536812001985","","","1.5418","CuKα","","0.0255","0.0228","","","0.0541","0.0555","","","","","","1.37","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233441","7.6234","0.0012","12.3803","0.0019","15.877","0.002","90","","90","","90","","1498.5","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Lysergol monohydrate","(7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3,2-<i>fg</i>]quinoline-9-yl)methanol monohydrate","","- C16 H20 N2 O2 -","- C16 H20 N2 O2 -","- C64 H80 N8 O8 -","4","1","FJ2506","Merkel, Stefan; Köppen, Robert; Koch, Matthias; Emmerling, Franziska; Nehls, Irene","Lysergol monohydrate","Acta Crystallographica Section E","2012","68","2","o523","","10.1107/S1600536812002632","","","0.71073","MoKα","","0.1041","0.0361","","","0.0445","0.0515","","","","","","0.791","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233464","4.78478","0.00011","15.7859","0.0005","19.4401","0.0005","90","","90","","90","","1468.35","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 3-<i>O</i>-α-L-fucopyranosyl α-D-galactopyranoside","","- C13 H24 O10 -","- C13 H24 O10 -","- C52 H96 O40 -","4","1","HB6569","Eriksson, Lars; Widmalm, Göran","Methyl 3-<i>O</i>-α-<small>L</small>-fucopyranosyl α-<small>D</small>-galactopyranoside: a synchrotron study","Acta Crystallographica Section E","2012","68","2","o528","","10.1107/S1600536812002279","","","0.907","synchrotron","","0.0716","0.0598","","","0.1523","0.1766","","","","","","1.092","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233467","4.8607","0.0002","12.5873","0.0004","21.1627","0.0009","90","","90","","90","","1294.8","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-iodobenzylidene]furan-2-carbohydrazide monohydrate","","- C12 H11 I N2 O4 -","- C12 H11 I N2 O4 -","- C48 H44 I4 N8 O16 -","4","1","HB6573","Bikas, Rahman; Anarjan, Parisa Mahboubi; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-iodobenzylidene]furan-2-carbohydrazide monohydrate","Acta Crystallographica Section E","2012","68","2","o413","o414","10.1107/S1600536811055826","","","1.54184","CuKα","","0.0595","0.0586","","","0.1562","0.1583","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233470","7.2601","0.0015","9.1716","0.0018","16.283","0.003","90","","90","","90","","1084.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Morpholin-4-ium hydrogen tartrate","","- C8 H15 N O7 -","- C8 H15 N O7 -","- C32 H60 N4 O28 -","4","1","HB6576","Liu, Ming-Liang","Morpholin-4-ium hydrogen tartrate","Acta Crystallographica Section E","2012","68","2","o289","","10.1107/S1600536811055759","","","0.71073","MoKα","","0.0484","0.0438","","","0.0951","0.0968","","","","","","1.17","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233472","6.0019","0.0016","8.838","0.003","21.555","0.003","90","","90","","90","","1143.4","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(5-Chloro-2-oxidobenzylidene)azaniumyl]-2-methylpropane-1,3-diol","","- C11 H14 Cl N O3 -","- C11 H14 Cl N O3 -","- C44 H56 Cl4 N4 O12 -","4","1","HB6578","Wang, Dong-Yue; Liu, Min; Ma, Jing-Jun","2-[(5-Chloro-2-oxidobenzylidene)azaniumyl]-2-methylpropane-1,3-diol","Acta Crystallographica Section E","2012","68","2","o295","","10.1107/S1600536811055784","","","0.71073","MoKα","","0.0505","0.0389","","","0.0716","0.0759","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233474","8.7734","0.0002","11.1271","0.0002","17.9423","0.0003","90","","90","","90","","1751.57","0.06","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>,4<i>Z</i>)-3-Chloro-1-methyl-4-[(2<i>E</i>)-(3- methylbenzylidene)hydrazinylidene]-3,4-dihydro-1<i>H</i>-2,1-benzothiazine 2,2-dioxide","","- C17 H16 Cl N3 O2 S -","- C17 H16 Cl N3 O2 S -","- C68 H64 Cl4 N12 O8 S4 -","4","1","HB6582","Shafiq, Muhammad; Tahir, M. Nawaz; Khan, Islam Ullah; Zia-Ur-Rehman, Muhammad","(3<i>S</i>,4<i>Z</i>)-3-Chloro-1-methyl-4-[(2<i>E</i>)-(3-methylbenzylidene)hydrazinylidene]-3,4-dihydro-1<i>H</i>-2,1-benzothiazine 2,2-dioxide","Acta Crystallographica Section E","2012","68","2","o338","","10.1107/S1600536811056315","","","0.71073","MoKα","","0.0511","0.0364","","","0.0818","0.0884","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2233486","8.7047","0.0017","10.749","0.002","29.653","0.006","90","","90","","90","","2774.5","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ethyl <i>ent</i>-15α-[(2-methoxybenzyloxy)methyl]-16-oxobeyeran-20-oate","","- C31 H44 O5 -","- C31 H44 O5 -","- C124 H176 O20 -","4","1","HB6600","Wu, Ya; Wang, Xia; Gong, Jian-hong; Wei, Chang-yong; Tao, Jing-chao","Ethyl <i>ent</i>-15α-[(2-methoxybenzyloxy)methyl]-16-oxobeyeran-20-oate","Acta Crystallographica Section E","2012","68","2","o495","","10.1107/S1600536812001833","","","0.71073","MoKα","","0.0837","0.0652","","","0.1613","0.1717","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233490","5.7183","0.0002","8.7309","0.0003","46.9988","0.0019","90","","90","","90","","2346.46","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,4-Di-<i>tert</i>-butyl (2<i>R</i>,3<i>R</i>)-2-({(2<i>E</i>)- 3-[4-(acetyloxy)phenyl]prop-2-enoyl}oxy)-3-hydroxybutanedioate","","- C23 H30 O9 -","- C23 H30 O9 -","- C92 H120 O36 -","4","1","HB6610","Hixson, Josh L.; Taylor, Dennis K.; Ng, Seik Weng; Tiekink, Edward R. T.","1,4-Di-<i>tert</i>-butyl (2<i>R</i>,3<i>R</i>)-2-({(2<i>E</i>)-3-[4-(acetyloxy)phenyl]prop-2-enoyl}oxy)-3-hydroxybutanedioate","Acta Crystallographica Section E","2012","68","2","o509","o510","10.1107/S160053681200236X","","","1.54184","CuKα","","0.0657","0.0525","","","0.1239","0.1313","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233537","6.2688","0.0003","9.2387","0.0004","14.828","0.0007","90","","90","","90","","858.77","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Isopropylimidazolidine-2,4-dione monohydrate","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C24 H48 N8 O12 -","4","1","IS5056","Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Al-Obaid, Abdulrahman M.; Hemamalini, Madhukar; Fun, Hoong-Kun","5-Isopropylimidazolidine-2,4-dione monohydrate","Acta Crystallographica Section E","2012","68","2","o533","","10.1107/S1600536812002838","","","1.54178","CuKα","","0.0398","0.0366","","","0.0949","0.0977","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233573","7.7919","0.0004","11.9518","0.0006","21.1315","0.001","90","","90","","90","","1967.92","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Oxymatrinium tetrachloridoferrate(III)","","- C15 H25 Cl4 Fe N2 O2 -","- C15 H25 Cl4 Fe N2 O2 -","- C60 H100 Cl16 Fe4 N8 O8 -","4","1","MW2043","He, Xiong; Wei, Xing Chuan; Tian, Yu Chang; Lai, Jia Xiong","Oxymatrinium tetrachloridoferrate(III)","Acta Crystallographica Section E","2012","68","2","m137","","10.1107/S1600536812000281","","","0.71073","MoKα","","0.0317","0.026","","","0.0591","0.0614","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233591","8.989","0.0016","9.8432","0.0019","22.084","0.004","90","","90","","90","","1954","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,5<i>S</i>,6<i>R</i>)-5-(4-Methylphenyl)-3-phenyl-4,8-dioxa-3- azatricyclo[7.4.0.0^2,6^]trideca-1(13),9,11-triene-6-carbonitrile","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","PV2496","Swaminathan, K.; Sethusankar, K.; Srinivasan, J.; Bakthadoss, M.","(2<i>S</i>,5<i>S</i>,6<i>R</i>)-5-(4-Methylphenyl)-3-phenyl-4,8-dioxa-3-azatricyclo[7.4.0.0^2,6^]trideca-1(13),9,11-triene-6-carbonitrile","Acta Crystallographica Section E","2012","68","2","o283","o284","10.1107/S1600536811055413","","","0.71073","MoKα","","0.1502","0.0813","","","0.2081","0.2521","","","","","","0.995","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233616","9.3413","0.0007","13.7402","0.0011","19.6296","0.0014","90","","90","","90","","2519.5","0.3","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4,5-Diphenyl-2-<i>p</i>-tolyl-1<i>H</i>-imidazol-1-yl)-3-phenylpropan-1-ol","","- C31 H28 N2 O -","- C31 H28 N2 O -","- C124 H112 N8 O4 -","4","1","RZ2683","Xiao, Yongmei; Yang, Liangru; He, Kun; Yuan, Jinwei; Mao, Pu","2-(4,5-Diphenyl-2-<i>p</i>-tolyl-1<i>H</i>-imidazol-1-yl)-3-phenylpropan-1-ol","Acta Crystallographica Section E","2012","68","2","o264","","10.1107/S1600536811054766","","","1.5418","CuKα","","0.042","0.0367","","","0.0934","0.0978","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233629","7.3872","0.0017","13.012","0.002","13.592","0.002","90","","90","","90","","1306.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Hydroxy-<i>N</i>'-(4-hydroxybenzylidene)-3-methylbenzohydrazide","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","SU2356","Shen, Xi-Hai; Zhu, Li-Xue; Shao, Li-Juen; Zhu, Zhao-Fu","2-Hydroxy-<i>N</i>'-(4-hydroxybenzylidene)-3-methylbenzohydrazide","Acta Crystallographica Section E","2012","68","2","o297","","10.1107/S1600536811055930","","","0.71073","MoKα","","0.0649","0.0436","","","0.0918","0.1025","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233676","7.7511","0.0003","10.0726","0.0004","24.6063","0.0009","90","","90","","90","","1921.11","0.13","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[2-(<i>N</i>-Cyclohexylcarbamoyl)propan-2-yl]-<i>N</i>-(2- iodophenyl)prop-2-ynamide","","- C19 H23 I N2 O2 -","- C19 H23 I N2 O2 -","- C76 H92 I4 N8 O8 -","4","1","XU5415","Balalaie, Saeed; Haghighatnia, Yaghoub; Rominger, Frank; Amani, Vahid","<i>N</i>-[2-(<i>N</i>-Cyclohexylcarbamoyl)propan-2-yl]-<i>N</i>-(2-iodophenyl)prop-2-ynamide","Acta Crystallographica Section E","2012","68","2","o272","","10.1107/S1600536811055140","","","0.71073","MoKα","","0.0309","0.0267","","","0.057","0.06","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233701","7.166","0.002","7.643","0.002","27.802","0.009","90","","90","","90","","1522.7","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diaquabis(hydrogen tartrato)cobalt(II) dihydrate","","- C8 H18 Co O16 -","- C8 H18 Co O16 -","- C32 H72 Co4 O64 -","4","1","ZJ2043","Du, Chao-Jun; Zhang, Qun-An; Wang, Li-Sheng; Du, Chao-Ling","Diaquabis(hydrogen tartrato)cobalt(II) dihydrate","Acta Crystallographica Section E","2012","68","2","m99","m100","10.1107/S1600536811054390","","","0.71073","MoKα","","0.0544","0.05","","","0.1118","0.1155","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233717","7.1627","0.0017","10.276","0.002","24.605","0.006","90","","90","","90","","1811","0.7","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(9-methoxy-3,5-dimethyl-5,6-dihydronaphtho[2,3-<i>b</i>]furan-4-yl)methyl 2-methylbut-2-enoate","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","AA2037","Rojano-Vilchis, Nadia; Hernández-Ortega, Simón; Jimenez-Estrada, Manuel; Torres Avilez, Armando","14-Angeloyloxycacalohastine from <i>Psacalium peltatum</i>","Acta Crystallographica Section E","2012","68","3","o672","o673","10.1107/S1600536812004199","","","0.71073","MoKα","","0.0405","0.0351","","","0.0921","0.0945","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2233736","5.8761","0.0003","9.0858","0.0005","17.7107","0.0009","90","","90","","90","","945.56","0.09","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7a<i>S</i>)-(‒)-Dimethyl(1-oxido-3-oxo-5,6,7,7a-tetrahydro-3<i>H</i>- pyrrolizin-2-yl)sulfonium","","- C9 H13 N O2 S -","- C9 H13 N O2 S -","- C36 H52 N4 O8 S4 -","4","1","BT5793","Gutiérrez-Lazcano, Leonardo; Terán, Joel L.; Juárez, Jorge R.; Flores-Alamo, Marcos; Mendoza, Angel","(7a<i>S</i>)-(‒)-Dimethyl(1-oxido-3-oxo-5,6,7,7a-tetrahydro-3<i>H</i>-pyrrolizin-2-yl)sulfonium","Acta Crystallographica Section E","2012","68","3","o752","","10.1107/S1600536812003601","","","0.71073","MoKα","","0.0311","0.0274","","","0.0636","0.0648","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233775","6.7066","0.0007","11.9033","0.0011","30.322","0.004","90","","90","","90","","2420.6","0.5","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9α-Hydroxy-12-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl- 3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","","- C26 H36 N2 O5 -","- C26 H36 N2 O5 -","- C104 H144 N8 O20 -","4","1","DS2172","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean-Claude; Mellouki, Fouad; Berraho, Moha","9α-Hydroxy-12-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.0^2,4^]tetradec-7-en-13-one","Acta Crystallographica Section E","2012","68","3","o589","o590","10.1107/S1600536812003662","","","0.71073","MoKα","","0.0821","0.0548","","","0.116","0.1302","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233827","15.6999","0.0002","18.8817","0.0002","15.0267","0.0002","90","","90","","90","","4454.53","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","clarithromycin","(3<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>,7<i>R</i>,9<i>R</i>, 11<i>S</i>,12<i>R</i>,13<i>S</i>,14<i>S</i>)- 6-{[(2<i>S</i>,3<i>R</i>,4<i>S</i>,6<i>R</i>)-4-dimethylamino- 3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-12,13-dihydroxy- 4-{[(2<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-5-hydroxy-4-methoxy- 4,6-dimethyloxan-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyl-1- oxacyclotetradecane-2,10-dione","","- C38 H71 N O14 -","- C38 H71 N O14 -","- C152 H284 N4 O56 -","4","1","HB6588","Noguchi, Shuji; Fujiki, Sadahiro; Iwao, Yasunori; Miura, Keiko; Itai, Shigeru","Clarithromycin monohydrate: a synchrotron X-ray powder study","Acta Crystallographica Section E","2012","68","3","o667","o668","10.1107/S1600536812005090","powder diffraction","","1.3","synchrotron","","0.07572","","","","","","","","3.3196","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2233850","5.7031","0.0016","17.02","0.005","28.084","0.008","90","","90","","90","","2726","1.4","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydro-2<i>H</i>- pyrano[3,2-<i>d</i>][1,3]dioxine-7,8-diyl bis(4-methylbenzene-1-sulfonate)","","- C28 H30 O10 S2 -","- C28 H30 O10 S2 -","- C112 H120 O40 S8 -","4","1","HB6633","Wardell, James L.; Tiekink, Edward R. T.","6-Methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydro-2<i>H</i>-pyrano[3,2-<i>d</i>][1,3]dioxine-7,8-diyl bis(4-methylbenzene-1-sulfonate)","Acta Crystallographica Section E","2012","68","3","o758","","10.1107/S1600536812006186","","","0.71073","MoKα","","0.1005","0.082","","","0.1398","0.1469","","","","","","1.179","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233860","6.877","0.001","17.383","0.003","20.033","0.003","90","","90","","90","","2394.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Acetato-κ<i>O</i>)diaqua[2-(1<i>H</i>-benzotriazol-1-yl)acetato- κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>') manganese(II) dihydrate","","- C22 H25 Mn N5 O8 -","- C22 H25 Mn N5 O8 -","- C88 H100 Mn4 N20 O32 -","4","1","HB6645","Zeng, Ling","(Acetato-κ<i>O</i>)diaqua[2-(1<i>H</i>-benzotriazol-1-yl)acetato-κ<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) dihydrate","Acta Crystallographica Section E","2012","68","3","m329","","10.1107/S1600536812007404","","","0.71073","MoKα","","0.0306","0.0266","","","0.0636","0.0659","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233862","9.9767","0.0003","11.1639","0.0003","16.2755","0.0005","90","","90","","90","","1812.75","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dichlorido{1-[<i>N</i>-(5-chloro-2-oxidophenyl)carboximidoyl]naphthalen-2- olato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}(methanol-κ<i>O</i>)tin(IV)","","- C18 H14 Cl3 N O3 Sn -","- C18 H14 Cl3 N O3 Sn -","- C72 H56 Cl12 N4 O12 Sn4 -","4","1","HG5171","Shahverdizadeh, Gholam Hossein; Ng, Seik Weng; Tiekink, Edward R. T.; Mirtamizdoust, Babak","Dichlorido{1-[<i>N</i>-(5-chloro-2-oxidophenyl)carboximidoyl]naphthalen-2-olato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}(methanol-κ<i>O</i>)tin(IV)","Acta Crystallographica Section E","2012","68","3","m246","m247","10.1107/S160053681200390X","","","0.71073","MoKα","","0.0329","0.0297","","","0.057","0.0592","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233863","5.6543","0.0004","13.5163","0.0009","19.9498","0.0017","90","","90","","90","","1524.7","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,5-Diphenoxybenzene-1,2-dicarbonitrile","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C80 H48 N8 O8 -","4","1","HG5172","Foo, Chuan Ching; Tan, Ai Ling; Wimmer, Franz L.; Mirza, Aminul Huq; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.","4,5-Diphenoxybenzene-1,2-dicarbonitrile","Acta Crystallographica Section E","2012","68","3","o601","","10.1107/S1600536812004060","","","0.71073","MoKα","","0.08","0.0538","","","0.1074","0.1176","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233889","8.077","0.0007","10.2667","0.001","28.937","0.003","90","","90","","90","","2399.6","0.4","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10α-Hydroxy-13-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl- 3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C26 H36 N2 O6 -","- C26 H36 N2 O6 -","- C104 H144 N8 O24 -","4","1","IM2357","Moumou, Mohamed; Benharref, Ahmed; Daran, Jean Claude; Outouch, Rachid; Berraho, Moha","10α-Hydroxy-13-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2012","68","3","o715","o716","10.1107/S1600536812005818","","","0.71073","MoKα","","0.1195","0.0717","","","0.17","0.1878","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233902","5.0213","0.0002","15.6834","0.0005","18.6368","0.0006","90","","90","","90","","1467.67","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[5-(4-Chlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol- 1-yl]ethanone","","- C17 H15 Cl N2 O2 -","- C17 H15 Cl N2 O2 -","- C68 H60 Cl4 N8 O8 -","4","1","IS5074","Fun, Hoong-Kun; Quah, Ching Kheng; Priya, S.; Narayana, B.; Sarojini, B. K.","1-[5-(4-Chlorophenyl)-3-(4-hydroxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]ethanone","Acta Crystallographica Section E","2012","68","3","o818","","10.1107/S1600536812006885","","","0.71073","MoKα","","0.0322","0.0299","","","0.0794","0.0817","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233925","9.715","0.002","14.725","0.003","21.159","0.005","90","","90","","90","","3026.9","1.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,6-Bis(4-chlorophenyl)-<i>N</i>^1^,<i>N</i>^4^-bis(1-phenylethyl)- 1,2,4,5-tetrazine-1,4-dicarboxamide","","- C32 H28 Cl2 N6 O2 -","- C32 H28 Cl2 N6 O2 -","- C128 H112 Cl8 N24 O8 -","4","1","LH5409","Sun, Na-Bo; Ni, Jia-Bin; Rao, Guo-Wu","3,6-Bis(4-chlorophenyl)-<i>N</i>^1^,<i>N</i>^4^-bis(1-phenylethyl)-1,2,4,5-tetrazine-1,4-dicarboxamide","Acta Crystallographica Section E","2012","68","3","o598","o599","10.1107/S1600536812003765","","","0.71073","MoKα","","0.0793","0.0416","","","0.085","0.099","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233937","6.651","0.003","14.208","0.007","25.854","0.012","90","","90","","90","","2443","2","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{μ-2-[4-(Benzothiazol-2-yl)benzyl]-2-azapropane-1,3-dithiolato- 1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'}bis[tricarbonyliron(I)]","","- C22 H14 Fe2 N2 O6 S3 -","- C22 H14 Fe2 N2 O6 S3 -","- C88 H56 Fe8 N8 O24 S12 -","4","1","LR2050","Gao, Shang; Duan, Qian; Jiang, Da-yong","{μ-2-[4-(Benzothiazol-2-yl)benzyl]-2-azapropane-1,3-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>'}bis[tricarbonyliron(I)]","Acta Crystallographica Section E","2012","68","3","m315","","10.1107/S1600536812006861","","","0.71073","MoKα","","0.0362","0.027","","","0.0495","0.0519","","","","","","0.982","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233939","7.3335","0.0011","12.956","0.002","21.506","0.003","90","","90","","90","","2043.3","0.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Methylnaltrexone bromide methanol monosolvate","(4<i>R</i>,4a<i>S</i>,7a<i>R</i>,12b<i>S</i>)-3-cyclopropylmethyl- 4a,9-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1<i>H</i>-4,12- methanobenzofuro[3,2-<i>e</i>]isoquinolin-3-ium bromide methanol monosolvate","","- C22 H30 Br N O5 -","- C22 H30 Br N O5 -","- C88 H120 Br4 N4 O20 -","4","1","MW2034","Li, Guoqing; Cai, Xu; Zheng, Zhibing; Zhou, Xinbo; Li, Song","Methylnaltrexone bromide methanol monosolvate","Acta Crystallographica Section E","2012","68","3","o827","","10.1107/S1600536812005545","","","0.71073","MoKα","","0.0309","0.0237","","","0.0454","0.0466","","","","","","0.9","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233957","6.6241","0.0003","13.6873","0.0006","13.9726","0.0006","90","","90","","90","","1266.84","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>S</i>,6<i>R</i>,7a<i>R</i>)-2-Benzyl-1,6- dihydroxyhexahydropyrrolizin-3-one","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","PV2494","Oliveira, F. L.; Freire, K. R. L.; Aparicio, R.; Coelho, F.","(1<i>S</i>,2<i>S</i>,6<i>R</i>,7a<i>R</i>)-2-Benzyl-1,6-dihydroxyhexahydropyrrolizin-3-one","Acta Crystallographica Section E","2012","68","3","o587","","10.1107/S1600536812002334","","","1.54178","CuKα","","0.0261","0.0261","","","0.078","0.0781","","","","","","1.148","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233959","12.86","0.0013","17.6436","0.0017","22.732","0.002","90","","90","","90","","5157.8","0.9","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","μ~3~-bromo-tri-μ~3~-sulfido-oxo-tris (triphenylphosphane-<i>κp</i>)-tricopper(I)-tungsten(VI)","","- C54 H45 Br Cu3 O P3 S3 W -","- C54 H45 Br Cu3 O P3 S3 W -","- C216 H180 Br4 Cu12 O4 P12 S12 W4 -","4","1","PV2509","Huang, Wenjiang; Zhang, Jinfang; Zhang, Chi","μ~3~-Bromido-oxidotri-μ~3~-sulfido-tris(triphenylphosphane-κ<i>P</i>)tricopper(I)tungsten(VI)","Acta Crystallographica Section E","2012","68","3","m281","","10.1107/S1600536812004631","","","0.7107","MoKα","","0.0571","0.047","","","0.0984","0.1135","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233970","8.5319","0.0012","8.8244","0.0012","19.688","0.003","90","","90","","90","","1482.3","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichlorido[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(pyridin-2-ylmethyl)cyclohexane- 1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']mercury(II)","","- C12 H19 Cl2 Hg N3 -","- C12 H19 Cl2 Hg N3 -","- C48 H76 Cl8 Hg4 N12 -","4","1","RK2329","Gao, Chuan-Zhu; Zhang, Xiu-Ying; Cheng, Lin","Dichlorido[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']mercury(II)","Acta Crystallographica Section E","2012","68","3","m235","","10.1107/S1600536812003340","","","0.71073","MoKα","","0.0215","0.0206","","","0.0445","0.0447","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2233989","7.4418","0.0009","9.7027","0.0012","16.862","0.002","90","","90","","90","","1217.5","0.3","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-<i>N</i>-(3-Methoxyphenyl)-<i>tert</i>-butanesulfinamide","","- C11 H17 N O2 S -","- C11 H17 N O2 S -","- C44 H68 N4 O8 S4 -","4","1","RZ2711","Sun, Xiaofei; Dai, Chuan; Tu, Xingzhao; Wang, Wenguo; Zeng, Qingle","(<i>R</i>)-<i>N</i>-(3-Methoxyphenyl)-<i>tert</i>-butanesulfinamide","Acta Crystallographica Section E","2012","68","3","o773","","10.1107/S1600536812006496","","","0.7107","MoKα","","0.0576","0.0428","","","0.0836","0.0916","","","","","","1.099","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2233991","5.0607","0.0009","11.086","0.002","27.629","0.005","90","","90","","90","","1550.1","0.5","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>E</i>)-4-Methoxy-<i>N</i>'-(3-ethoxy-4-hydroxybenzylidene)benzohydrazide","(<i>E</i>)-<i>N</i>'-(3-Ethoxy-4-hydroxybenzylidene)-4-methoxybenzohydrazide","","- C17 H18 N2 O4 -","- C17 H18 N2 O4 -","- C68 H72 N8 O16 -","4","1","RZ2713","Fun, Hoong-Kun; Promdet, Premrudee; Horkaew, Jirapa; Karalai, Chatchanok; Chantrapromma, Suchada","(<i>E</i>)-<i>N</i>'-(3-Ethoxy-4-hydroxybenzylidene)-4-methoxybenzohydrazide","Acta Crystallographica Section E","2012","68","3","o849","o850","10.1107/S1600536812007374","","","0.71073","MoKα","","0.0785","0.0512","","","0.1368","0.1541","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234001","6.962","0.0014","10.727","0.002","16.932","0.003","90","","90","","90","","1264.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>*,5<i>R</i>*)-2-(4-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide","","- C12 H14 N2 O5 -","- C12 H14 N2 O5 -","- C48 H56 N8 O20 -","4","1","SU2367","Lv, Chun-Lei; Chen, Jian-Hui; Zhang, Yu-Zhe; Lu, Ding-Qiang; OuYang, Ping-Kai","(4<i>R</i>*,5<i>R</i>*)-2-(4-Methoxyphenyl)-1,3-dioxolane-4,5-dicarboxamide","Acta Crystallographica Section E","2012","68","3","o558","","10.1107/S1600536812002401","","","0.71073","MoKα","","0.0529","0.0407","","","0.1259","0.1352","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234009","7.627","0.003","11.859","0.002","14.297","0.002","90","","90","","90","","1293.1","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-Chloro-<i>N</i>'-(4-hydroxybenzylidene)benzohydrazide","","- C14 H11 Cl N2 O2 -","- C14 H11 Cl N2 O2 -","- C56 H44 Cl4 N8 O8 -","4","1","SU2376","Li, Xiao-Yan","(<i>E</i>)-2-Chloro-<i>N</i>'-(4-hydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2012","68","3","o709","","10.1107/S1600536812005661","","","0.71073","MoKα","","0.0849","0.0583","","","0.1513","0.1667","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234013","9.744","0.005","10.016","0.003","28.84","0.005","90","","90","","90","","2814.7","1.7","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Benzyl phenyl sulfoxide-κ<i>O</i>)chloridotriphenyltin(IV)","","- C31 H27 Cl O S Sn -","- C31 H27 Cl O S Sn -","- C124 H108 Cl4 O4 S4 Sn4 -","4","1","TK5048","Tan, Guo-Xia; Zhang, Chang-Fa","(Benzyl phenyl sulfoxide-κ<i>O</i>)chloridotriphenyltin(IV)","Acta Crystallographica Section E","2012","68","3","m304","","10.1107/S1600536812005910","","","0.71069","MoKα","","0.0561","0.0371","","","0.061","0.0666","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234036","11.2148","0.0012","12.9835","0.0013","15.9499","0.0017","90","","90","","90","","2322.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triethylammonium (2<i>R</i>,3<i>R</i>)-2,3-bis(benzoyloxy)-3-carboxypropanoate","","- C24 H29 N O8 -","- C24 H29 N O8 -","- C96 H116 N4 O32 -","4","1","XU5427","Li, Shang-Ju; Zhang, Rong-Jia; Hou, Guang-Feng; Li, Guang-Ming; Yan, Peng-Fei","Triethylammonium (2<i>R</i>,3<i>R</i>)-2,3-bis(benzoyloxy)-3-carboxypropanoate","Acta Crystallographica Section E","2012","68","3","o651","","10.1107/S1600536812004308","","","0.71073","MoKα","","0.0712","0.0424","","","0.084","0.095","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234098","7.0942","0.0005","13.792","0.0011","17.3108","0.0013","90","","90","","90","","1693.7","0.2","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>S</i>)-2-[(<i>S</i>,<i>E</i>)-2-Bromo-1-nitromethyl- 3-phenylallyl]-4-methylcyclohexanone","","- C17 H20 Br N O3 -","- C17 H20 Br N O3 -","- C68 H80 Br4 N4 O12 -","4","1","BH2424","Zhao, Long; Wu, Chao; Weng, Wen-Zeng; Yan, Chu-Xia; Xia, Ai-Bao","(2<i>S</i>,4<i>S</i>)-2-[(<i>S</i>,<i>E</i>)-2-Bromo-1-nitromethyl-3-phenylallyl]-4-methylcyclohexanone","Acta Crystallographica Section E","2012","68","4","o1253","","10.1107/S1600536812013098","","","0.71073","MoKα","","0.1088","0.04","","","0.0761","0.106","","","","","","0.909","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234105","5.9181","0.001","13.492","0.002","17.592","0.003","90","","90","","90","","1404.7","0.4","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2,2-Dimethylpropanoyl)-<i>N</i>'-(2-methoxyphenyl)thiourea","","- C13 H18 N2 O2 S -","- C13 H18 N2 O2 S -","- C52 H72 N8 O8 S4 -","4","1","BQ2346","Kadir, Maisara A.; Yamin, Bohari M.; Yusof, M. Sukeri M.","<i>N</i>-(2,2-Dimethylpropanoyl)-<i>N</i>'-(2-methoxyphenyl)thiourea","Acta Crystallographica Section E","2012","68","4","o1129","","10.1107/S1600536812010914","","","0.71073","MoKα","","0.0885","0.068","","","0.1383","0.1466","","","","","","1.129","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234115","8.0138","0.0003","10.7218","0.0005","28.0174","0.0013","90","","90","","90","","2407.32","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>R</i>,3<i>R</i>,6<i>R</i>,7<i>S</i>,8<i>R</i>, 10<i>S</i>,11<i>S</i>)-13-{[4-(4-Chlorophenyl)piperazin-1-yl]methyl}- 10-hydroxy-4,9-dimethyl-3,8,15- trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C25 H33 Cl N2 O5 -","- C25 H33 Cl N2 O5 -","- C100 H132 Cl4 N8 O20 -","4","1","BT5834","Moumou, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Adil, Mina; Berraho, Moha","(1<i>S</i>,2<i>R</i>,3<i>R</i>,6<i>R</i>,7<i>S</i>,8<i>R</i>,10<i>S</i>,11<i>S</i>)-13-{[4-(4-Chlorophenyl)piperazin-1-yl]methyl}-10-hydroxy-4,9-dimethyl-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2012","68","4","o1147","o1148","10.1107/S1600536812011816","","","0.71073","MoKα","","0.061","0.0405","","","0.0928","0.1022","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234116","8.2137","0.0007","14.3714","0.0013","16.6728","0.0015","90","","90","","90","","1968.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-(Phenylsulfonyl)-2-(diphenylthiophosphinoyl)propane","Diphenyl[2-(phenylsulfonyl)propan-2-yl]-λ^5^-phosphanethione","","- C21 H21 O2 P S2 -","- C21 H21 O2 P S2 -","- C84 H84 O8 P4 S8 -","4","1","BT5837","Gessner, Viktoria H.","Diphenyl[2-(phenylsulfonyl)propan-2-yl]-λ^5^-phosphanethione","Acta Crystallographica Section E","2012","68","4","o1045","","10.1107/S1600536812010082","","","0.71073","MoKα","","0.0261","0.0254","","","0.0672","0.0679","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234142","7.7503","0.0002","11.7894","0.0003","17.282","0.0004","90","","90","","90","","1579.08","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-(4-Isopropylbenzylidene)isonicotinohydrazide monohydrate","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","1","CV5248","Bhat, Mashooq A.; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun","(<i>E</i>)-<i>N</i>'-(4-Isopropylbenzylidene)isonicotinohydrazide monohydrate","Acta Crystallographica Section E","2012","68","4","o1002","","10.1107/S1600536812009099","","","1.54178","CuKα","","0.0569","0.0486","","","0.1363","0.1452","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234175","7.0236","0.0005","12.0644","0.001","32.475","0.002","90","","90","","90","","2751.8","0.3","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4β-Hydroxy-12,13-epoxytrichothec-9-ene","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","FJ2530","Mao, Bi-Zeng; Huang, Chao; Chen, Yu-Zhe; Lv, Zhen-Er; Chen, Shao-Yuan","4β-Hydroxy-12,13-epoxytrichothec-9-ene","Acta Crystallographica Section E","2012","68","4","o1195","","10.1107/S1600536812012408","","","0.71073","MoKα","","0.1007","0.074","","","0.2011","0.2218","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234178","7.7991","0.0012","13.95","0.002","18.053","0.003","90","","90","","90","","1964.1","0.5","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Diisopropyl {[(<i>R</i>)-2-(2-Amino-6-chloro-9<i>H</i>-purin-9-yl)- 1-methylethoxy]methyl}phosphonate","","- C15 H25 Cl N5 O4 P -","- C15 H25 Cl N5 O4 P -","- C60 H100 Cl4 N20 O16 P4 -","4","1","FK2051","Zhao, Guobao; He, Xinhua; Zhong, Bohua","Diisopropyl {[(<i>R</i>)-2-(2-amino-6-chloro-9<i>H</i>-purin-9-yl)-1-methylethoxy]methyl}phosphonate","Acta Crystallographica Section E","2012","68","4","o936","","10.1107/S1600536812006757","","","0.7107","MoKα","","0.0298","0.0282","","","0.0655","0.0662","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234186","6.48","0.002","7.141","0.002","29.674","0.011","90","","90","","90","","1373.1","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>-Benzylideneadamantan-1-amine","","- C17 H21 N -","- C17 H21 N -","- C68 H84 N4 -","4","1","GK2442","Jin, Xu-Dong; Yin, Xue-Yue; Wang, Hai-Bo; Chang, Xiao-Hong; Jin, Yue-Hong","(<i>E</i>)-<i>N</i>-Benzylideneadamantan-1-amine","Acta Crystallographica Section E","2012","68","4","o1130","","10.1107/S1600536812011415","","","0.71073","MoKα","","0.0759","0.0495","","","0.123","0.1399","","","","","","0.992","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234218","11.1623","0.0002","19.7586","0.0003","26.4077","0.0004","90","","90","","90","","5824.26","0.16","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3β-Chloro-6-[2-(2-cyanoacetyl)hydrazin-1-ylidene]-5α-cholestane","","- C30 H48 Cl N3 O -","- C30 H48 Cl N3 O -","- C240 H384 Cl8 N24 O8 -","8","2","HB6661","Yusufzai, Samina Khan; Osman, Hasnah; Abdul Rahim, Aisyah Saad; Arshad, Suhana; Razak, Ibrahim Abdul","3β-Chloro-6-[2-(2-cyanoacetyl)hydrazin-1-ylidene]-5α-cholestane","Acta Crystallographica Section E","2012","68","4","o1056","o1057","10.1107/S1600536812009336","","","0.71073","MoKα","","0.11","0.1035","","","0.2179","0.2214","","","","","","1.181","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234259","14.1827","0.0015","14.3876","0.0016","28.787","0.002","90","","90","","90","","5874.1","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis[μ-<i>N</i>-(3-methoxy-2-oxidobenzylidene-1:2κ^2^<i>O</i>^2^:<i>O</i>^2^)- L-isoleucinato-2κ^2^<i>N</i>,<i>O</i>]bis(1,10-phenanthroline- 1κ^2^<i>N</i>,<i>N</i>')dinickel(II) methanol tetrasolvate trihydrate","","- C56 H72 N6 Ni2 O15 -","- C56 H72 N6 Ni2 O15 -","- C224 H288 N24 Ni8 O60 -","4","1","HY2519","Li, Yan; Guo, Zhenghua; Dong, Jianfang; Li, Lianzhi","Bis[μ-<i>N</i>-(3-methoxy-2-oxidobenzylidene-1:2κ^2^<i>O</i>^2^:<i>O</i>^2^)-<small>L</small>-isoleucinato-2κ^2^<i>N</i>,<i>O</i>]bis(1,10-phenanthroline-1κ^2^<i>N</i>,<i>N</i>')dinickel(II) methanol tetrasolvate trihydrate","Acta Crystallographica Section E","2012","68","4","m371","m372","10.1107/S1600536812008987","","","0.71073","MoKα","","0.0865","0.054","","","0.1358","0.1573","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2234261","8.6358","0.0017","9.5356","0.0019","16.885","0.003","90","","90","","90","","1390.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Poly[tetraaquabis(μ~3~-oxalato- κ^5^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^:<i>O</i>^1'^,<i>O</i>^2'^)(μ~2~- oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)dipraseodymium(III)]","","- C6 H8 O16 Pr2 -","- C6 H8 O16 Pr2 -","- C24 H32 O64 Pr8 -","4","1","HY2521","Hao, Cheng-Jun; Xie, Hui","Poly[tetraaquabis(μ~3~-oxalato-κ^5^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^:<i>O</i>^1'^,<i>O</i>^2'^)(μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)dipraseodymium(III)]","Acta Crystallographica Section E","2012","68","4","m444","","10.1107/S1600536812011014","","","0.71073","MoKα","","0.0334","0.0285","","","0.0687","0.0715","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234277","6.2826","0.0002","10.0341","0.0003","19.1315","0.0005","90","","90","","90","","1206.05","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-<i>N</i>-Methyl-2-(5-methyl-2-oxoindolin-3- ylidene)hydrazinecarbothioamide","","- C11 H12 N4 O S -","- C11 H12 N4 O S -","- C44 H48 N16 O4 S4 -","4","1","IS5066","Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(<i>Z</i>)-<i>N</i>-Methyl-2-(5-methyl-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","4","o955","o956","10.1107/S1600536812005417","","","0.71073","MoKα","","0.0419","0.0371","","","0.0922","0.097","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234308","9.6123","0.0004","9.9437","0.0003","24.9677","0.0007","90","","90","","90","","2386.46","0.14","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(2<i>S</i>)-1-Chloro-3-phenylpropan-2-yl]-2,4,5-triphenyl- 1<i>H</i>-imidazole","","- C30 H25 Cl N2 -","- C30 H25 Cl N2 -","- C120 H100 Cl4 N8 -","4","1","LD2044","Xiao, Yongmei; Yang, Liangru; He, Kun; Yuan, Jinwei; Mao, Pu","1-[(2<i>S</i>)-1-Chloro-3-phenylpropan-2-yl]-2,4,5-triphenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2012","68","4","o1153","","10.1107/S1600536812009609","","","1.5418","CuKα","","0.0655","0.045","","","0.089","0.0978","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234309","10.0411","0.0003","11.3123","0.0003","18.5549","0.0007","90","","90","","90","","2107.61","0.12","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6β-Methyl-3,20-dioxopregn-4-en-17-yl acetate","","- C24 H34 O4 -","- C24 H34 O4 -","- C96 H136 O16 -","4","1","LD2047","Chen, Longran; Liu, Xuefen; Yang, Peng","6β-Methyl-3,20-dioxopregn-4-en-17-yl acetate","Acta Crystallographica Section E","2012","68","4","o997","","10.1107/S1600536812008665","","","0.71073","MoKα","","0.0533","0.0393","","","0.0901","0.1024","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234313","5.4478","0.0002","8.2149","0.0003","27.3841","0.0006","90","","90","","90","","1225.52","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>S</i>-Phenyl 4-methoxybenzothioate","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","1","LH5413","El-Azab, Adel S.; Abdel-Aziz, Alaa A.-M.; El-Subbagh, Hussein I.; Chantrapromma, Suchada; Fun, Hoong-Kun","<i>S</i>-Phenyl 4-methoxybenzothioate","Acta Crystallographica Section E","2012","68","4","o1074","o1075","10.1107/S1600536812005454","","","1.54178","CuKα","","0.0998","0.0561","","","0.1604","0.1986","","","","","","1.221","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234318","9.0296","0.0004","18.0457","0.0007","27.4755","0.001","90","","90","","90","","4477","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-(2,3-Dimethylanilino)-<i>N</i>'-[2-methyl-5-(prop-1-en- 2-yl)cyclohex-2-enylidene]benzohydrazide","","- C25 H29 N3 O -","- C25 H29 N3 O -","- C200 H232 N24 O8 -","8","2","LH5424","Bhat, Mashooq A.; Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Hemamalini, Madhukar; Fun, Hoong-Kun","(<i>E</i>)-2-(2,3-Dimethylanilino)-<i>N</i>'-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","4","o1135","","10.1107/S1600536812009087","","","1.54178","CuKα","","0.0848","0.0586","","","0.1514","0.1673","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234339","7.9004","0.0002","10.9961","0.0003","29.2289","0.0008","90","","90","","90","","2539.22","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-(Dimethoxymethyl)phenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<i>D</i>-glucopyranoside","","- C23 H30 O12 -","- C23 H30 O12 -","- C92 H120 O48 -","4","1","MW2057","Zipp, Caitlin F.; Fernandes, Manuel; Marques, Helder M.; Michael, Joseph P.","4-(Dimethoxymethyl)phenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2012","68","4","o1202","","10.1107/S160053681201121X","","","0.71073","MoKα","","0.0614","0.0424","","","0.0948","0.1016","","","","","","0.966","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234343","8.4865","0.0001","10.0846","0.0002","16.829","0.0003","90","","90","","90","","1440.28","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>S</i>)-3-methyl-2-phenyl- 2,3-dihydrothiazolo[2,3-<i>b</i>]quinazolin-5-one","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","1","NK2145","Ghorab, Mostafa. M.; Al-Said, Mansour. S.; Abdel-Kader, Maged. S.; Hemamalini, Madhukar; Fun, Hoong-Kun","Absolute configuration of (1<i>S</i>,2<i>S</i>)-3-methyl-2-phenyl-2,3-dihydrothiazolo[2,3-<i>b</i>]quinazolin-5-one","Acta Crystallographica Section E","2012","68","4","o927","o928","10.1107/S160053681200832X","","","1.54178","CuKα","","0.0442","0.043","","","0.1076","0.1089","","","","","","1.082","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234407","8.81958","0.00009","16.842","0.0002","22.7304","0.0003","90","","90","","90","","3376.36","0.07","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sodium (1<i>R</i>)-<i>D</i>-glucit-1-ylsulfonate monohydrate","Sodium (1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>)-1,2,3,4,5,6-hexahydroxyhexane-1-sulfonate monohydrate","","- C6 H15 Na O10 S -","- C6 H15 Na O10 S -","- C72 H180 Na12 O120 S12 -","12","3","SU2377","Haines, Alan H.; Hughes, David L.","Sodium (1<i>R</i>)-<small>D</small>-glucit-1-ylsulfonate monohydrate","Acta Crystallographica Section E","2012","68","4","m377","m378","10.1107/S1600536812007210","","","0.71073","Mo-Kα","","0.0373","0.0276","","","","0.0519","","","","","","0.929","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234422","8.1628","0.0008","12.0701","0.0011","17.0176","0.0016","90","","90","","90","","1676.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2,5-Dimethoxyphenyl)-<i>N</i>-[2-(4-hydroxyphenyl)ethyl]acetamide","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","TK5063","Choi, Hyeong; Shim, Yong Suk; Han, Byung Hee; Kang, Sung Kwon; Sung, Chang Keun","2-(2,5-Dimethoxyphenyl)-<i>N</i>-[2-(4-hydroxyphenyl)ethyl]acetamide","Acta Crystallographica Section E","2012","68","4","o966","","10.1107/S1600536812008975","","","0.71073","MoKα","","0.0686","0.0399","","","","0.0879","","","","","","0.872","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234425","8.9432","0.0005","10.3004","0.0006","24.924","0.0015","90","","90","","90","","2296","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>Z</i>)-2-{[<i>N</i>-(2-Formylphenyl)-4-methylbenzenesulfonamido]methyl}- 3-(4-methylphenyl)prop-2-enenitrile","","- C25 H22 N2 O3 S -","- C25 H22 N2 O3 S -","- C100 H88 N8 O12 S4 -","4","1","TK5066","Kannan, D.; Bakthadoss, M.; Madhanraj, R.; Murugavel, S.","(2<i>Z</i>)-2-{[<i>N</i>-(2-Formylphenyl)-4-methylbenzenesulfonamido]methyl}-3-(4-methylphenyl)prop-2-enenitrile","Acta Crystallographica Section E","2012","68","4","o1084","","10.1107/S1600536812010628","","","0.71073","MoKα","","0.0669","0.0431","","","0.1043","0.1174","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234429","4.851","0.006","10.407","0.012","36.65","0.04","90","","90","","90","","1850","4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Hydroxy-<i>N</i>'-[2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","TK5071","Mohamed, Shaaban Kamel; Horton, Peter N.; Akkurt, Mehmet; Albayati, Mustafa R.; Potgeiter, Herman","2-Hydroxy-<i>N</i>'-[2-(6-methoxynaphthalen-2-yl)propanoyl]benzohydrazide","Acta Crystallographica Section E","2012","68","4","o1251","o1252","10.1107/S1600536812012731","","","0.71073","MoKα","","0.1608","0.0839","","","0.1503","0.1892","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234440","6.023","0.0013","8.3306","0.0018","21.314","0.005","90","","90","","90","","1069.4","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,3,5-Tri(chloroformyl)benzene","Benzene-1,3,5-tricarbonyl trichloride","","- C9 H3 Cl3 O3 -","- C9 H3 Cl3 O3 -","- C36 H12 Cl12 O12 -","4","1","VM2166","Fan, Xin; Wang, Yanrong; Jin, Chengzhi; Jin, Longfei","Benzene-1,3,5-tricarbonyl trichloride","Acta Crystallographica Section E","2012","68","4","o1260","","10.1107/S1600536812012895","","","0.71073","MoKα","","0.0664","0.0649","","","0.1684","0.1695","","","","","","1.222","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234442","9.2332","0.0005","10.1337","0.0006","12.4186","0.0006","90","","90","","90","","1161.96","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Poly[bis(μ-purin-9-ido-κ^2^<i>N</i>^7^:<i>N</i>^9^)zinc]","","- C10 H6 N8 Zn -","- C10 H6 N8 Zn -","- C40 H24 N32 Zn4 -","4","1","VN2034","Cadiau, A.; Adil, K.","Poly[bis(μ-purin-9-ido-κ^2^<i>N</i>^7^:<i>N</i>^9^)zinc]","Acta Crystallographica Section E","2012","68","4","m449","","10.1107/S1600536812011245","","","0.71073","MoKα","","0.0284","0.0242","","","0.0518","0.0528","","","","","","1.012","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2234470","10.1598","0.0008","11.1275","0.0009","30.387","0.002","90","","90","","90","","3435.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3β,18β,20β)-<i>N</i>-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29- carboxamide methanol monosolvate","","- C35 H56 N2 O8 -","- C35 H56 N2 O8 -","- C140 H224 N8 O32 -","4","1","XU5490","Czollner, Laszlo; Jordis, Ulrich; Mereiter, Kurt","(3β,18β,20β)-<i>N</i>-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate","Acta Crystallographica Section E","2012","68","4","o1229","o1230","10.1107/S1600536812012561","","","0.71073","MoKα","","0.0519","0.0444","","","0.1145","0.1218","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234494","6.2558","0.0001","10.1449","0.0001","18.5682","0.0002","90","","90","","90","","1178.42","0.03","100","1","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-2-(5-Chloro-2-oxoindolin-3-ylidene)-<i>N</i>- methylhydrazinecarbothioamide","","- C10 H9 Cl N4 O S -","- C10 H9 Cl N4 O S -","- C40 H36 Cl4 N16 O4 S4 -","4","1","ZS2177","Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(<i>Z</i>)-2-(5-Chloro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","4","o964","o965","10.1107/S1600536812007386","","","0.71073","MoKα","","0.0539","0.0374","","","0.0702","0.0779","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234498","12.7461","0.0007","12.9824","0.0007","34.4022","0.0012","90","","90","","90","","5692.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","41-Azido-41-deoxyrapamycin","","- C51 H78 N4 O12 -","- C51 H78 N4 O12 -","- C204 H312 N16 O48 -","4","1","ZS2189","Xie, Lijun; Huang, Jie; Zuo, Jian; Yu, Hui; Cheng, Yuanrong","41-Azido-41-deoxyrapamycin","Acta Crystallographica Section E","2012","68","4","o1206","o1207","10.1107/S1600536812012548","","","1.54184","CuKα","","0.1406","0.0925","","","0.2715","0.3314","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234520","11.2039","0.001","12.2665","0.0011","19.9774","0.0018","90","","90","","90","","2745.5","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Lurasidone hydrochloride","4-(1,2-benzothiazol-3-yl)-1-({2-[(3,5-dioxo-4-azatricyclo[5.2.1.0^2,6^]decan- 4-yl)methyl]cyclohexyl}methyl)piperazin-1-ium chloride","","- C28 H37 Cl N4 O2 S -","- C28 H37 Cl N4 O2 S -","- C112 H148 Cl4 N16 O8 S4 -","4","1","BT5835","Zhang, Hua; Wang, Hubo; Zhu, Xueyan; Yuan, Zhedong; Jiang, Huijuan","Lurasidone hydrochloride","Acta Crystallographica Section E","2012","68","5","o1357","","10.1107/S1600536812012883","","","0.71073","MoKα","","0.0561","0.0473","","","0.1037","0.1079","","","","","","1.095","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234527","8.0978","0.0002","10.366","0.0003","28.8194","0.0008","90","","90","","90","","2419.15","0.11","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10α-Hydroxy-13-{[4-(2-hydroxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl- 3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","","- C25 H34 N2 O6 -","- C25 H34 N2 O6 -","- C100 H136 N8 O24 -","4","1","BT5864","Moumou, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Adil, Mina; Berraho, Moha","10α-Hydroxy-13-{[4-(2-hydroxyphenyl)piperazin-1-yl]methyl}-4,9-dimethyl-3,8,15-trioxatetracyclo[10.3.0.0^2,4^.0^7,9^]pentadecan-14-one","Acta Crystallographica Section E","2012","68","5","o1309","o1310","10.1107/S1600536812013876","","","0.71073","MoKα","","0.0407","0.0343","","","0.0883","0.0933","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234539","5.1053","0.0005","13.078","0.001","20.163","0.002","90","","90","","90","","1346.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(3-Nitrobenzoyl)benzenesulfonamide","","- C13 H10 N2 O5 S -","- C13 H10 N2 O5 S -","- C52 H40 N8 O20 S4 -","4","1","BT5879","Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(3-Nitrobenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2012","68","5","o1507","","10.1107/S1600536812016765","","","0.71073","MoKα","","0.0931","0.0645","","","0.1211","0.1373","","","","","","1.38","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234594","13.562","0.005","16.729","0.006","17.258","0.006","90","","90","","90","","3915","2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4- yl)(thiophen-2-yl)methylidene]benzohydrazide","","- C22 H18 N4 O2 S -","- C22 H18 N4 O2 S -","- C176 H144 N32 O16 S8 -","8","2","FJ2536","Zhu, Hualing; Zhu, Jinhua; Bu, Luxia; Shi, Jun; Wang, Juan","<i>N</i>'-[(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)(thiophen-2-yl)methylidene]benzohydrazide","Acta Crystallographica Section E","2012","68","5","o1368","o1369","10.1107/S1600536812014821","","","0.71073","MoKα","","0.0647","0.0497","","","0.0939","0.103","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234599","8.2727","0.0011","24.579","0.003","9.3703","0.0014","90","","90","","90","","1905.3","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10,11,12-octahydro-1<i>H</i>-2- benzoxacyclotetradecine-1,7(8<i>H</i>)-dione monohydrate","","- C18 H26 O6 -","- C18 H26 O6 -","- C72 H104 O24 -","4","1","FJ2544","Drzymala, Sarah; Kraus, Werner; Emmerling, Franziska; Koch, Matthias","(3<i>S</i>)-14,16-Dihydroxy-3-methyl-3,4,5,6,9,10,11,12-octahydro-1<i>H</i>-2-benzoxacyclotetradecine-1,7(8<i>H</i>)-dione (zearalanone) monohydrate","Acta Crystallographica Section E","2012","68","5","o1577","","10.1107/S1600536812018168","","","0.71073","MoKα","","0.0886","0.0513","","","0.123","0.1339","","","","","","0.901","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234600","3.8949","0.0002","12.051","0.0005","21.991","0.0009","90","","90","","90","","1032.2","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Chloro-3-[(<i>E</i>)-(hydrazin-1-ylidene)methyl]-6-methoxyquinoline","","- C11 H10 Cl N3 O -","- C11 H10 Cl N3 O -","- C44 H40 Cl4 N12 O4 -","4","1","FJ2545","Bouacida, Sofiane; Bouraiou, Abdelmalek; Benhamoud, Nassima; Roisnel, Thierry; Belfaitah, Ali","2-Chloro-3-[(<i>E</i>)-(hydrazin-1-ylidene)methyl]-6-methoxyquinoline","Acta Crystallographica Section E","2012","68","5","o1548","","10.1107/S1600536812017977","","","0.71073","MoKα","","0.0411","0.032","","","0.0712","0.0732","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234669","8.989","0.003","11.163","0.004","13.722","0.004","90","","90","","90","","1376.9","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Chloro-4'-ethyl-3<i>H</i>-spiro[1,3-benzothiazole-2,1'-cyclohexane]","","- C14 H18 Cl N S -","- C14 H18 Cl N S -","- C56 H72 Cl4 N4 S4 -","4","1","HG5210","Akkurt, Mehmet; Cihan-Üstündağ, Gökçe; Çapan, Gültaze; Türktekin-Çelikesir, Sevim; Tahir, Muhammad Nawaz","5-Chloro-4'-ethyl-3<i>H</i>-spiro[1,3-benzothiazole-2,1'-cyclohexane]","Acta Crystallographica Section E","2012","68","5","o1466","","10.1107/S1600536812016479","","","0.71073","MoKα","","0.0484","0.0384","","","0.0856","0.0916","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234671","5.8428","0.0001","16.3177","0.0002","32.1286","0.0005","90","","90","","90","","3063.17","0.08","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Potassium [1-(<i>tert</i>-butoxycarbonyl)-1<i>H</i>-indol-3-yl]trifluoroborate hemihydrate","","- C13 H15 B F3 K N O2.5 -","- C13 H15 B F3 K N O2.5 -","- C104 H120 B8 F24 K8 N8 O20 -","8","2","HP2034","Berionni, Guillaume; Mayer, Peter; Mayr, Herbert","Potassium [1-(<i>tert</i>-butoxycarbonyl)-1<i>H</i>-indol-3-yl]trifluoroborate hemihydrate","Acta Crystallographica Section E","2012","68","5","m551","m552","10.1107/S1600536812014225","","","0.71073","MoKα","","0.0375","0.0317","","","0.0717","0.0745","","","","","","1.033","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2234680","7.9191","0.0007","12.3873","0.0005","15.393","0.006","90","","90","","90","","1510","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dicarbonyl[4-(2,6-dimethylphenylamino)pent-3-en-2-onato- κ^2^<i>N</i>,<i>O</i>]rhodium(I)","","- C15 H16 N O3 Rh -","- C15 H16 N O3 Rh -","- C60 H64 N4 O12 Rh4 -","4","1","HY2537","Venter, Gertruida J. S.; Steyl, Gideon; Roodt, Andreas","Dicarbonyl[4-(2,6-dimethylphenylamino)pent-3-en-2-onato-κ^2^<i>N</i>,<i>O</i>]rhodium(I)","Acta Crystallographica Section E","2012","68","5","m666","m667","10.1107/S1600536812017175","","","0.71073","MoKα","","0.0166","0.0165","","","","0.042","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234723","10.8608","0.0013","12.6158","0.0014","29.419","0.003","90","","90","","90","","4030.9","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthyl","","- C24 H22 O4 -","- C24 H22 O4 -","- C192 H176 O32 -","8","2","LH5447","Zhou, Liang; Eli, Wumanjiang","(<i>R</i>)-2,2'-Bis(methoxymethoxy)-1,1'-binaphthyl","Acta Crystallographica Section E","2012","68","5","o1361","","10.1107/S1600536812014699","","","0.71073","MoKα","","0.082","0.0613","","","0.1333","0.1486","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234732","8.5647","0.0003","10.0019","0.0004","18.7031","0.0007","90","","90","","90","","1602.17","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-<i>N</i>-Benzyl-2,6-dideoxy-2,6-imino-3,4-<i>O</i>-isopropylidene- 3-<i>C</i>-methyl-<i>D</i>-allononitrile","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","1","LH5456","Ayers, Benjamin J.; Jenkinson, Sarah F.; Fleet, George W. J.; Thompson, Amber L.","2-<i>N</i>-Benzyl-2,6-dideoxy-2,6-imino-3,4-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-<small>D</small>-allononitrile","Acta Crystallographica Section E","2012","68","5","o1474","","10.1107/S1600536812016273","","","0.71073","MoKα","","0.0494","0.0405","","0.1064","0.1001","0.1064","","","","","","0.9711","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234751","6.5007","0.0003","13.6783","0.0007","13.8382","0.0007","90","","90","","90","","1230.47","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>E</i>,6<i>R</i>,7a<i>R</i>)-2-Benzylidene-1,6-dihydroxy- 2,3,5,6,7,7a-hexahydro-1<i>H</i>-pyrrolizin-3-one","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","PV2526","Oliveira, F. L.; Freire, K. R. L.; Aparicio, R.; Coelho, F.","(1<i>S</i>,2<i>E</i>,6<i>R</i>,7a<i>R</i>)-2-Benzylidene-1,6-dihydroxy-2,3,5,6,7,7a-hexahydro-1<i>H</i>-pyrrolizin-3-one","Acta Crystallographica Section E","2012","68","5","o1572","","10.1107/S1600536812018223","","","1.54178","CuKα","","0.037","0.0368","","","0.0971","0.0976","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234757","4.9969","0.0015","14.498","0.004","16.109","0.005","90","","90","","90","","1167","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(3,4-Dihydroxyphenyl)-1-methoxy-1-oxopropan-2-aminium chloride","","- C10 H14 Cl N O4 -","- C10 H14 Cl N O4 -","- C40 H56 Cl4 N4 O16 -","4","1","PV2536","Hou, Ze-Feng; Feng, Juan; Liu, Jing-Tian; Zhen, Xiao-Li; han, Jian-Rong han","3-(3,4-Dihydroxyphenyl)-1-methoxy-1-oxopropan-2-aminium chloride","Acta Crystallographica Section E","2012","68","5","o1516","","10.1107/S160053681201728X","","","0.71073","MoKα","","0.0357","0.0266","","","0.0584","0.0605","","","","","","0.928","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234792","9.3588","0.0005","11.9452","0.0005","13.3136","0.0007","90","","90","","90","","1488.36","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-<i>N</i>-(Biphenyl-4-yl)-<i>tert</i>-butanesulfinamide","","- C16 H19 N O S -","- C16 H19 N O S -","- C64 H76 N4 O4 S4 -","4","1","RZ2735","Zhang, Binbin; Wang, Yan; Sun, Xiaofei; Wang, Wenguo; Zeng, Qingle","(<i>R</i>)-<i>N</i>-(Biphenyl-4-yl)-<i>tert</i>-butanesulfinamide","Acta Crystallographica Section E","2012","68","5","o1389","","10.1107/S1600536812015127","","","0.7107","MoKα","","0.06","0.047","","","0.088","0.0973","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234810","10.963","0.003","16.328","0.004","17.797","0.005","90","","90","","90","","3185.7","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Dichlorido[2,3-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2λ^5^- dioxaphospholan-2-yloxy)butan-2-olato- κ^2^<i>O</i>,<i>P</i>]oxido(triphenylphosphane-κ<i>P</i>)rhenium(V)","","- C30 H39 Cl2 O5 P2 Re -","- C30 H39 Cl2 O5 P2 Re -","- C120 H156 Cl8 O20 P8 Re4 -","4","1","SU2403","Skarżyńska, Anna; Siczek, Miłosz; Gniewek, Andrzej","<i>cis</i>-Dichlorido[2,3-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2λ^5^-dioxaphospholan-2-yloxy)butan-2-olato-κ^2^<i>O</i>,<i>P</i>]oxido(triphenylphosphane-κ<i>P</i>)rhenium(V)","Acta Crystallographica Section E","2012","68","5","m605","m606","10.1107/S1600536812015565","","","0.71073","MoKα","","0.0401","0.0262","","","0.0438","0.0455","","","","","","0.874","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234848","7.5051","0.0003","10.5639","0.0004","21.6723","0.0009","90","","90","","90","","1718.25","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[aqua(2-iodobenzoato-κ<i>O</i>)cobalt(II)]- μ-aqua-μ-2-iodobenzoato-κ^2^<i>O</i>:<i>O</i>']","","- C14 H12 Co I2 O6 -","- C14 H12 Co I2 O6 -","- C56 H48 Co4 I8 O24 -","4","1","XU5504","Aydın, Ömür; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","<i>catena</i>-Poly[[aqua(2-iodobenzoato-κ<i>O</i>)cobalt(II)]-μ-aqua-μ-2-iodobenzoato-κ^2^<i>O</i>:<i>O</i>']","Acta Crystallographica Section E","2012","68","5","m601","m602","10.1107/S1600536812015115","","","0.71073","MoKα","","0.0202","0.0201","","","0.0509","0.051","","","","","","1.202","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2234853","9.5733","0.0009","15.0134","0.0014","15.9462","0.0015","90","","90","","90","","2291.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(3a<i>S</i>,5a<i>R</i>,8a<i>R</i>,8b<i>S</i>)-2,2,7,7-Tetramethyltetrahydro- 3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-3a-yl]methyl (<i>R</i>)-<i>N</i>-(1-phenylethyl)sulfamate","","- C20 H29 N O8 S -","- C20 H29 N O8 S -","- C80 H116 N4 O32 S4 -","4","1","XU5509","Xie, Meng; Shen, Si-Si; Chen, Bao-Feng; Sha, Yu","[(3a<i>S</i>,5a<i>R</i>,8a<i>R</i>,8b<i>S</i>)-2,2,7,7-Tetramethyltetrahydro-3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-3a-yl]methyl (<i>R</i>)-<i>N</i>-(1-phenylethyl)sulfamate","Acta Crystallographica Section E","2012","68","5","o1581","","10.1107/S1600536812016704","","","0.71073","MoKα","","0.052","0.0409","","","0.094","0.0998","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234856","6.3043","0.0003","11.5256","0.0007","13.4905","0.0008","90","","90","","90","","980.23","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-(3-Carboxy-2-hydroxypropyl)trimethylazanium chloride","","- C7 H16 Cl N O3 -","- C7 H16 Cl N O3 -","- C28 H64 Cl4 N4 O12 -","4","1","XU5512","Ng, Seik Weng","(<i>R</i>)-(3-Carboxy-2-hydroxypropyl)trimethylazanium chloride","Acta Crystallographica Section E","2012","68","5","o1416","","10.1107/S160053681201598X","","","0.71073","MoKα","","0.0286","0.0273","","","0.0707","0.0719","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234901","6.6999","0.0006","15.248","0.002","16.1195","0.0015","90","","90","","90","","1646.8","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Diethylamino-2-{(<i>E</i>)-[(3-iodophenyl)imino]methyl}phenol","","- C17 H19 I N2 O -","- C17 H19 I N2 O -","- C68 H76 I4 N8 O4 -","4","1","BH2429","Vesek, Hilal; Kazak, Canan; Ağar, Erbil; Gümüş, Sümeyye","5-Diethylamino-2-{(<i>E</i>)-[(3-iodophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2012","68","6","o1963","","10.1107/S1600536812022556","","","0.71073","MoKα","","0.0556","0.037","","","0.0695","0.0735","","","","","","0.862","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234954","4.4949","0.0002","14.9891","0.0009","15.1357","0.0008","90","","90","","90","","1019.76","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9,10-Dihydro-7<i>H</i>-benzo[<i>de</i>]imidazo[2,1-<i>a</i>]isoquinolin-7-one","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","BX2409","Chen, Yu Mei; Shi, Jian Chao","9,10-Dihydro-7<i>H</i>-benzo[<i>de</i>]imidazo[2,1-<i>a</i>]isoquinolin-7-one","Acta Crystallographica Section E","2012","68","6","o1886","","10.1107/S1600536812022921","","","0.71073","MoKα","","0.1238","0.0746","","","0.1788","0.202","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2234996","9.4028","0.0003","10.2524","0.0005","12.0473","0.0006","90","","90","","90","","1161.37","0.09","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>*,5<i>R</i>*)-9-Phenyl-9-azabicyclo[3.3.1]nonan-3-one","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","FY2049","Jiang, Zhen-ju; He, Qi; Li, Zhen; Wang, Zhou-yu","(1<i>S</i>*,5<i>R</i>*)-9-Phenyl-9-azabicyclo[3.3.1]nonan-3-one","Acta Crystallographica Section E","2012","68","6","o1691","","10.1107/S1600536812020065","","","0.7107","MoKα","","0.0603","0.0429","","","0.0837","0.0917","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235015","10.7897","0.0002","13.2457","0.0003","15.6436","0.0004","90","","90","","90","","2235.74","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","oxaline","","- C24 H25 N5 O4 -","- C24 H25 N5 O4 -","- C96 H100 N20 O16 -","4","1","HB6738","Qu, Peng; Wu, Zhi-Yong; Zhu, Wei-Ming","Redetermined structure of oxaline: absolute configuration using Cu <i>K</i>α radiation","Acta Crystallographica Section E","2012","68","6","o1626","","10.1107/S1600536812019423","","","1.54178","CuKα","","0.0351","0.0349","","","0.0892","0.0894","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235056","8.855","0.0018","12.827","0.003","22.432","0.005","90","","90","","90","","2547.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-3-(2-Ethoxyphenyl)-1-{4-[(2-fluorophenyl)(4- fluorophenyl)methyl]piperazin-1-yl}prop-2-en-1-one","","- C28 H28 F2 N2 O2 -","- C28 H28 F2 N2 O2 -","- C112 H112 F8 N8 O8 -","4","1","HB6812","Zhong, Yan; Wu, Bin","(<i>E</i>)-3-(2-Ethoxyphenyl)-1-{4-[(2-fluorophenyl)(4-fluorophenyl)methyl]piperazin-1-yl}prop-2-en-1-one","Acta Crystallographica Section E","2012","68","6","o1975","","10.1107/S1600536812024130","","","0.71073","MoKα","","0.1271","0.0634","","","0.134","0.1598","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235064","5.927","0.004","11.241","0.008","14.9","0.01","90","","90","","90","","992.7","1.2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl[(<i>E</i>)-(2-nitromethylidene-1,3-dithiolan-4-yl)methyl]amine","","- C7 H12 N2 O2 S2 -","- C7 H12 N2 O2 S2 -","- C28 H48 N8 O8 S8 -","4","1","HG5213","Yang, Shuang-Hua; Zhai, Zhi-Wei","Dimethyl[(<i>E</i>)-(2-nitromethylidene-1,3-dithiolan-4-yl)methyl]amine","Acta Crystallographica Section E","2012","68","6","o1749","","10.1107/S1600536812021307","","","0.71073","MoKα","","0.0493","0.0433","","","0.0865","0.0898","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235068","8.2103","0.0001","9.8329","0.0001","20.3686","0.0002","90","","90","","90","","1644.38","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Methyl-3,3-bis(phenylsulfanyl)piperidin-2-one","","- C18 H19 N O S2 -","- C18 H19 N O S2 -","- C72 H76 N4 O4 S8 -","4","1","HG5220","Caracelli, Ignez; Olivato, Paulo R.; Cerqueira Jr, Carlos R.; Santos, Jean M. M.; Ng, Seik Weng; Tiekink, Edward R. T.","1-Methyl-3,3-bis(phenylsulfanyl)piperidin-2-one","Acta Crystallographica Section E","2012","68","6","o1793","o1794","10.1107/S1600536812021277","","","1.54184","CuKα","","0.0255","0.0251","","","0.0664","0.0666","","","","","","1.091","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235091","8.9493","0.0003","16.8206","0.0007","23.7697","0.0009","90","","90","","90","","3578.1","0.2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-[(Dimethylamino)methyl]-1,1'-bis(diphenylphosphinothioyl)ferrocene dichloromethane monosolvate","","- C38 H37 Cl2 Fe N P2 S2 -","- C37 H35 Fe N P2 S2 -","- C148 H140 Fe4 N4 P8 S8 -","4","1","IM2377","Philippe, Elisabeth; Manoury, Eric; Daran, Jean-Claude","(<i>R</i>)-2-[(Dimethylamino)methyl]-1,1'-bis(diphenylphosphinothioyl)ferrocene dichloromethane monsolvate","Acta Crystallographica Section E","2012","68","6","m799","m800","10.1107/S1600536812022301","","","0.71073","MoKα","","0.0477","0.0419","","","0.1","0.1021","","","","","","1.093","","","","has coordinates,has Fobs","192351","2020-10-21","18:00:00",""
"2235108","6.1851","0.0012","12.759","0.003","22.698","0.005","90","","90","","90","","1791.2","0.7","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-4-Bromo-2-[(2,6-diisopropylphenyl)iminomethyl]phenol","","- C19 H22 Br N O -","- C19 H22 Br N O -","- C76 H88 Br4 N4 O4 -","4","1","IS5140","Balamurugan, P.; Raja, K. Kanmani; Rani, S. Kutti; Chakkaravarthi, G.; Rajagopal, G.","(<i>E</i>)-4-Bromo-2-[(2,6-diisopropylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","6","o1782","","10.1107/S1600536812021605","","","0.71073","MoKα","","0.082","0.0402","","","0.0865","0.1004","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235120","12.4457","0.0003","15.5804","0.0004","27.171","0.0008","90","","90","","90","","5268.7","0.2","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","12α-Hydroxy-3,27-dioxooleanano-28,13-lactone","","- C30 H44 O5 -","- C30 H44 O5 -","- C240 H352 O40 -","8","2","KP2404","Hu, Jun-yi; Wu, Gang-gang; Xu, Ying-qian; Xiao, Guo-yong; Lei, Peng","12α-Hydroxy-3,27-dioxooleanano-28,13-lactone","Acta Crystallographica Section E","2012","68","6","o1586","","10.1107/S1600536812017783","","","0.71073","MoKα","","0.0444","0.0413","","","0.0937","0.0952","","","","","","1.098","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235155","11.0344","0.0002","11.6796","0.0002","17.0884","0.0003","90","","90","","90","","2202.31","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')dichloridorhodium(III) perchlorate","","- C20 H16 Cl3 N4 O4 Rh -","- C20 H16 Cl3 N4 O4 Rh -","- C80 H64 Cl12 N16 O16 Rh4 -","4","1","LR2059","Dikhtiarenko, Alla; Torre-Fernández, Laura; García-Granda, Santiago; García, José R.; Gimeno, José","Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')dichloridorhodium(III) perchlorate","Acta Crystallographica Section E","2012","68","6","m713","m714","10.1107/S1600536812018685","","","0.7107","MoKα","","0.0594","0.0423","","","","0.0809","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235185","11.561","0.005","14.657","0.007","20.457","0.01","90","","90","","90","","3466","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","14-Deoxyisogarcinol","10-(3-Hydroxybenzoyl)-2,2,7,7-tetramethyl-3,6,8-tris(3-methylbut-2-enyl)- 3,4,4a,5,6,7-hexahydro-4a,8-methano-2<i>H</i>-cycloocta[<i>b</i>]pyran- 9,11(8<i>H</i>)-dione","","- C38 H50 O5 -","- C38 H50 O5 -","- C152 H200 O20 -","4","1","NR2023","Kaur, Ranjeet; Vasudev, Prema G.; Chattopadhyay, Sunil K.","(1<i>S</i>,5<i>R</i>,7<i>R</i>,30<i>S</i>)-14-Deoxyisogarcinol","Acta Crystallographica Section E","2012","68","6","o1861","o1862","10.1107/S1600536812020788","","","0.71073","MoKα","","0.1741","0.0682","","","0.1669","0.2464","","","","","","0.955","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235199","7.4882","0.0002","11.7438","0.0002","18.0235","0.0004","90","","90","","90","","1584.99","0.06","90","0.5","90","0.5","101.3","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,4<i>R</i>)-4-(2-Ethoxy-2-oxoethyl)-2,6,6-trimethyl‒2-oxo- 1,3,6,2λ^5^-dioxazaphosphocan-6-ium iodide","","- C11 H23 I N O5 P -","- C11 H23 I N O5 P -","- C44 H92 I4 N4 O20 P4 -","4","1","PV2538","Fulfer, Bradford W.; Fronczek, Frank R.; Watkins, Steven F.","(2<i>R</i>,4<i>R</i>)-4-(2-Ethoxy-2-oxoethyl)-2,6,6-trimethyl‒2-oxo-1,3,6,2λ^5^-dioxazaphosphocan-6-ium iodide","Acta Crystallographica Section E","2012","68","6","o1596","","10.1107/S1600536812018466","","","0.71073","MoKα","","","0.016","","","","0.0386","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235211","4.0964","0.0017","6.382","0.003","35.608","0.014","90","","90","","90","","930.9","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-Methoxyphenoxy)acetohydrazide","","- C9 H12 N2 O3 -","- C9 H12 N2 O3 -","- C36 H48 N8 O12 -","4","1","RK2352","Liu, Gang; Gao, Jie","2-(4-Methoxyphenoxy)acetohydrazide","Acta Crystallographica Section E","2012","68","6","o1969","","10.1107/S160053681202435X","","","0.71073","MoKα","","0.0341","0.0301","","","0.0842","0.0892","","","","","","0.876","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235218","9.2695","0.0004","15.8818","0.0006","16.0498","0.0006","90","","90","","90","","2362.79","0.16","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[4,5-Diphenyl-2-(pyridin-2-yl)-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol","","- C29 H25 N3 O -","- C29 H25 N3 O -","- C116 H100 N12 O4 -","4","1","RZ2739","Yang, Liangru; Xiao, Yongmei; He, Kun; Yuan, Jinwei; Mao, Pu","2-[4,5-Diphenyl-2-(pyridin-2-yl)-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol","Acta Crystallographica Section E","2012","68","6","o1670","","10.1107/S1600536812018703","","","1.54178","CuKα","","0.044","0.0381","","","0.0962","0.102","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235222","6.3407","0.0013","10.367","0.002","30.516","0.006","90","","90","","90","","2005.9","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,4-Ditosyl-1,4-diazepane","","- C19 H24 N2 O4 S2 -","- C19 H24 N2 O4 S2 -","- C76 H96 N8 O16 S8 -","4","1","RZ2746","Yang, Shuang-Hua; Zhai, Zhi-Wei","1,4-Ditosyl-1,4-diazepane","Acta Crystallographica Section E","2012","68","6","o1716","","10.1107/S1600536812020958","","","0.71073","MoKα","","0.0374","0.0362","","","0.0821","0.0829","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235227","9.3596","0.0004","10.4702","0.0004","22.7438","0.001","90","","90","","90","","2228.82","0.16","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-<i>N</i>-Phenyl-<i>tert</i>-butanesulfinamide","","- C10 H15 N O S -","- C10 H15 N O S -","- C80 H120 N8 O8 S8 -","8","2","RZ2751","Sun, Xiaofei; Zhang, Xiaoping; Zhang, Binbin; Wang, Wenguo; Zeng, Qingle","(<i>S</i>)-<i>N</i>-Phenyl-<i>tert</i>-butanesulfinamide","Acta Crystallographica Section E","2012","68","6","o1728","","10.1107/S1600536812020673","","","0.7107","MoKα","","0.0988","0.0539","","","0.0774","0.0897","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235251","5.377","0.0011","12.598","0.003","15.601","0.003","90","","90","","90","","1056.8","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2,4-Difluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanol","","- C10 H9 F2 N3 O -","- C10 H9 F2 N3 O -","- C40 H36 F8 N12 O4 -","4","1","SU2423","Kesternich, Victor; Nelson-González, Ronald; Pérez-Fehrmann, Marcia; Cárdenas, Alejandro; Brito, Iván","1-(2,4-Difluorophenyl)-2-(1<i>H</i>-1,2,4-triazol-1-yl)ethanol","Acta Crystallographica Section E","2012","68","6","o1727","","10.1107/S1600536812020661","","","0.71073","MoKα","","0.0728","0.0629","","","0.1427","0.1486","","","","","","1.159","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235259","11.3476","0.0007","14.0549","0.0008","15.954","0.007","90","","90","","90","","2544.5","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-{1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-4,5-dihydro- 1<i>H</i>-pyrazol-3-yl}-5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole","","- C28 H22 Br F N6 S -","- C28 H22 Br F N6 S -","- C112 H88 Br4 F4 N24 S4 -","4","1","SU2440","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.","4-{1-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl}-5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2012","68","6","o1956","o1957","10.1107/S1600536812024257","","","0.71073","MoKα","","0.0429","0.0351","","","0.0737","0.0773","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235271","6.7162","0.0001","13.6796","0.0002","25.9859","0.0005","90","","90","","90","","2387.45","0.07","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","brusatol","brusatol","","- C26 H32 O11 -","- C26 H32 O11 -","- C104 H128 O44 -","4","1","VM2168","Hu, Shu-Zhi; Jin, Lu; Yu, Tong; Tian, Hai-Yan; Jiang, Ren-Wang","Brusatol","Acta Crystallographica Section E","2012","68","6","o1592","o1593","10.1107/S1600536812018582","","","1.54184","CuKα","","0.0348","0.0323","","","0.0827","0.0847","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235284","15.1617","0.0016","9.981","0.0011","7.8022","0.0008","90","","90","","90","","1180.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[cadmium-μ-[1,3-bis(imidazol-1-yl)propane]-di-μ-chlorido]","","- C9 H12 Cd Cl2 N4 -","- C9 H12 Cd Cl2 N4 -","- C36 H48 Cd4 Cl8 N16 -","4","1","WM2624","Shen, Qiao-Lian; Lin, Hong","<i>catena</i>-Poly[cadmium-μ-[1,3-bis(imidazol-1-yl)propane]-di-μ-chlorido]","Acta Crystallographica Section E","2012","68","6","m776","","10.1107/S1600536812021083","","","0.71073","MoKα","","","0.0134","","","0.036","0.0365","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235299","10.149","0.002","14.802","0.003","20.405","0.004","90","","90","","90","","3065.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(3,5-di-<i>tert</i>-butyl-4<i>H</i>-1,2,4-triazol-4-amine- κ<i>N</i>^1^)(nitrato-κ<i>O</i>)silver(I) ethanol monosolvate monohydrate","","- C22 H48 Ag N9 O5 -","- C22 H48 Ag N9 O5 -","- C88 H192 Ag4 N36 O20 -","4","1","XU5525","Liu, Ya-Mei; Chen, Jing-Huo; Yang, Guang; Ng, Seik Weng","Bis(3,5-di-<i>tert</i>-butyl-4<i>H</i>-1,2,4-triazol-4-amine-κ<i>N</i>^1^)(nitrato-κ<i>O</i>)silver(I) ethanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","6","m731","","10.1107/S1600536812019058","","","0.71073","MoKα","","0.0682","0.0536","","","0.0851","0.0908","","","","","","1.152","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235312","9.6942","0.0004","10.4394","0.0006","13.21","0.0008","90","","90","","90","","1336.87","0.12","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Cyclohexyl-2-oxo-2-phenylacetamide","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","XU5541","Jia, Ze-Jun; Wu, Jin-Long","<i>N</i>-Cyclohexyl-2-oxo-2-phenylacetamide","Acta Crystallographica Section E","2012","68","6","o1948","","10.1107/S1600536812023549","","","0.71073","MoKα","","0.0908","0.0357","","","0.0755","0.0818","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235314","4.643","0.0004","14.3904","0.0011","14.4976","0.001","90","","90","","90","","968.65","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>,4<i>S</i>)-3,4,8-Trihydroxy-1,2,3,4-tetrahydronaphthalen-1-one monohydrate","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","1","XU5544","Ouchbani, Tarik; Zouihri, Hafid; Essassi, El Mokhtar; Proksch, Peter; Ng, Seik Weng","(3<i>R</i>,4<i>S</i>)-3,4,8-Trihydroxy-1,2,3,4-tetrahydronaphthalen-1-one monohydrate from <i>Embellisia eureka</i>","Acta Crystallographica Section E","2012","68","6","o1874","","10.1107/S1600536812022623","","","0.71073","MoKα","","0.0738","0.0388","","","0.0832","0.0962","","","","","","0.986","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235329","6.3651","0.0013","11.475","0.002","19.861","0.004","90","","90","","90","","1450.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(Quinolin-8-yl)quinoline-2-carboxamide","","- C19 H13 N3 O -","- C19 H13 N3 O -","- C76 H52 N12 O4 -","4","1","ZL2476","Li, Yanfeng; Zhou, Hongbo; Shen, Xiaoping","<i>N</i>-(Quinolin-8-yl)quinoline-2-carboxamide","Acta Crystallographica Section E","2012","68","6","o1688","","10.1107/S1600536812020144","","","0.71073","MoKα","","0.0393","0.0351","","","0.0798","0.0824","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235330","7.5791","0.0003","11.0242","0.0005","19.6736","0.0007","90","","90","","90","","1643.8","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Methyl (<i>R</i>)-2-(2-chlorophenyl)-2-(3-nitrophenylsulfonyloxy)acetate","","- C15 H12 Cl N O7 S -","- C15 H12 Cl N O7 S -","- C60 H48 Cl4 N4 O28 S4 -","4","1","ZL2477","Li, Ying-Hua; Xu, Hong-Wu; Zhang, Liu-Xue","Methyl (<i>R</i>)-2-(2-chlorophenyl)-2-(3-nitrophenylsulfonyloxy)acetate","Acta Crystallographica Section E","2012","68","6","o1689","","10.1107/S1600536812020016","","","0.71073","MoKα","","0.0493","0.0389","","","0.0812","0.0863","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235337","4.6615","0.0002","10.5375","0.0005","25.2153","0.0015","90","","90","","90","","1238.59","0.11","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(4-chlorobenzylidene)-2-hydroxy-5-chloroaniline","4-Chloro-2-[(4-chlorobenzylidene)amino]phenol","","- C13 H9 Cl2 N O -","- C13 H9 Cl2 N O -","- C52 H36 Cl8 N4 O4 -","4","1","ZS2205","Efil, Kürşat; Şen, Fatih; Bekdemir, Yunus; Büyükgüngör, Orhan","4-Chloro-2-[(4-chlorobenzylidene)amino]phenol","Acta Crystallographica Section E","2012","68","6","o1696","","10.1107/S1600536812019770","","","0.71073","MoKα","","0.0501","0.0329","","","0.077","0.0822","","","","","","0.931","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235342","6.0525","0.0012","11.919","0.002","14.526","0.003","90","","90","","90","","1047.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diaquabis(<i>L</i>-lactato)magnesium","","- C6 H14 Mg O8 -","- C6 H14 Mg O8 -","- C24 H56 Mg4 O32 -","4","1","AA2062","Zhu, Hong-lin; Jin, Ling","Diaquabis(<small>L</small>-lactato)magnesium","Acta Crystallographica Section E","2012","68","7","m978","","10.1107/S1600536812028723","","","0.71073","MoKα","","0.0385","0.029","","","0.0613","0.0735","","","","","","1.143","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235350","10.7804","0.0008","7.7938","0.0007","23.8862","0.0017","90","","90","","90","","2006.9","0.3","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>,1<i>S</i>,10a<i>R</i>)-(-)-Menthyl 1-hydroxy-1,2,3,5,6,7,10,10a-octahydropyrrolo[1,2-<i>a</i>]azocine- 10a-carboxylate","","- C21 H35 N O3 -","- C21 H35 N O3 -","- C84 H140 N4 O12 -","4","1","BH2433","Muroni, Daniele; Napolitano, Emilio; Perez, Olivier; Culeddu, Nicola; Saba, Antonio","(<i>Z</i>,1<i>S</i>,10a<i>R</i>)-({-})-Menthyl 1-hydroxy-1,2,3,5,6,7,10,10a-octahydropyrrolo[1,2-<i>a</i>]azocine-10a-carboxylate","Acta Crystallographica Section E","2012","68","7","o2224","o2225","10.1107/S1600536812027900","","","0.71069","MoKα","","0.0707","0.0407","","","0.0443","0.0474","","","","","","1.23","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235353","10.6435","0.0004","15.9508","0.0013","21.1764","0.0008","90","","90","","90","","3595.2","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>tert</i>-Butyl (2<i>R</i>,4a<i>R</i>,5a<i>R</i>,11a<i>S</i>,12<i>R</i>, 12a<i>R</i>)-8-[bis(<i>tert</i>-butoxycarbonyl)amino]-12-hydroxy-2- methoxy-2,10-dioxo-4,4a,5a,6,9,10,11,11a,12,12a-decahydro-2<i>H</i>-1,3,5- trioxa-6,7,9,11-tetraaza-2λ^5^-phosphatetracene-6-carboxylate methanol monosolvate monohydrate","","- C27 H46 N5 O15 P -","- C27 H46 N5 O15 P -","- C108 H184 N20 O60 P4 -","4","1","BH2437","Gainsford, Graeme J.; Clinch, Keith; Dixon, Rachel; Tiwari, Ashish","<i>tert</i>-Butyl (2<i>R</i>,4a<i>R</i>,5a<i>R</i>,11a<i>S</i>,12<i>R</i>,12a<i>R</i>)-8-[bis(<i>tert</i>-butoxycarbonyl)amino]-12-hydroxy-2-methoxy-2,10-dioxo-4,4a,5a,6,9,10,11,11a,12,12a-decahydro-2<i>H</i>-1,3,5-trioxa-6,7,9,11-tetraaza-2λ^5^-phosphatetracene-6-carboxylate methanol monosolvate monohydrate","Acta Crystallographica Section E","2012","68","7","o2250","o2251","10.1107/S160053681202867X","","","1.54184","CuKα","","0.043","0.0376","","","0.092","0.0955","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235379","7.307","0.004","8.559","0.004","25.674","0.009","90","","90","","90","","1605.7","1.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(-)-2-(1<i>H</i>-Indol-3-yl)-<i>N</i>-(1-phenylethyl)acetamide","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","BT5951","Ramírez, Johana; Romero, Oscar; Juárez, Jorge R.; Terán, Joel L.; Mendoza, Angel","(<i>S</i>)-({-})-2-(1<i>H</i>-Indol-3-yl)-<i>N</i>-(1-phenylethyl)acetamide","Acta Crystallographica Section E","2012","68","7","o2252","","10.1107/S1600536812028450","","","0.71073","MoKα","","0.1315","0.065","","","","0.1613","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235400","6.307","0.004","12.801","0.007","22.49","0.012","90","","90","","90","","1815.8","1.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Diphenyl-2-[(1-phenylethyl)amino]ethanol","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","DS2194","Hou, Qing-Gao; Zhao, Chang-Qiu","1,2-Diphenyl-2-[(1-phenylethyl)amino]ethanol","Acta Crystallographica Section E","2012","68","7","o2220","","10.1107/S1600536812027420","","","0.71073","MoKα","","0.0966","0.0586","","","0.1437","0.1601","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235418","6.3822","0.0013","14.142","0.003","17.47","0.004","90","","90","","90","","1576.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-2- hydroxybenzohydrazide monohydrate","","- C15 H15 Br N2 O5 -","- C15 H15 Br N2 O5 -","- C60 H60 Br4 N8 O20 -","4","1","FK2062","Zhao, Shunsheng; Li, Lanlan; Liu, Xiangrong; Feng, Weixu; Lü, Xingqiang","(<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxy-3-methoxybenzylidene)-2-hydroxybenzohydrazide monohydrate","Acta Crystallographica Section E","2012","68","7","o2040","","10.1107/S1600536812024816","","","0.71073","MoKα","","0.1038","0.0446","","","0.0902","0.1309","","","","","","0.903","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235427","6.2217","0.0005","8.3795","0.0006","23.4692","0.0017","90","","90","","90","","1223.56","0.16","103","","103","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 1-aminonaphtho[2,1-<i>b</i>]furan-2-carboxylate","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","GK2494","Madan, K. S.; Shruthi, E.; Sagar, A. M.; Abdoh, M. M. M; Vaidya, V. P.; Lokanath, N. K.","Ethyl 1-aminonaphtho[2,1-<i>b</i>]furan-2-carboxylate","Acta Crystallographica Section E","2012","68","7","o2114","","10.1107/S1600536812025342","","","0.71073","MoKα","","0.055","0.0445","","","0.1096","0.1167","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235437","8.682","0.005","10.299","0.004","17.903","0.005","90","","90","","90","","1600.8","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-Methyl 2-[(1,3-dioxoisoindolin-2-yl)methyl]-3-phenylacrylate","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C76 H60 N4 O16 -","4","1","GO2060","Lakshmanan, D.; Murugavel, S.; Kannan, D.; Bakthadoss, M.","(<i>E</i>)-Methyl 2-[(1,3-dioxoisoindolin-2-yl)methyl]-3-phenylacrylate","Acta Crystallographica Section E","2012","68","7","o2219","","10.1107/S1600536812028140","","","0.71073","MoKα","","0.0594","0.0394","","","0.094","0.1047","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235471","7.2956","0.0004","9.8463","0.0005","21.7489","0.0011","90","","90","","90","","1562.32","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[2-(1-{2-[Azanidyl(ethylsulfanyl)methylidene-κ<i>N</i>]hydrazin-1- ylidene-κ<i>N</i>^1^}ethyl)phenolato-κ<i>O</i>](pyridine-κ<i>N</i>)nickel(II)","","- C16 H18 N4 Ni O S -","- C16 H18 N4 Ni O S -","- C64 H72 N16 Ni4 O4 S4 -","4","1","HB6842","Takjoo, Reza; Ng, Seik Weng; Tiekink, Edward R. T.","[2-(1-{2-[Azanidyl(ethylsulfanyl)methylidene-κ<i>N</i>]hydrazin-1-ylidene-κ<i>N</i>^1^}ethyl)phenolato-κ<i>O</i>](pyridine-κ<i>N</i>)nickel(II)","Acta Crystallographica Section E","2012","68","7","m911","","10.1107/S1600536812026177","","","0.71073","MoKα","","0.0509","0.0397","","","0.0698","0.075","","","","","","0.997","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2235482","6.3546","0.0001","13.4894","0.0002","19.1921","0.0003","90","","90","","90","","1645.14","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4a<i>R</i>*,8a<i>S</i>*)-2,3-Diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline","","- C20 H20 N2 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","HB6855","Chen, W.; Tang, K.-S.; Fan, L.-Y.","(4a<i>R</i>*,8a<i>S</i>*)-2,3-Diphenyl-4a,5,6,7,8,8a-hexahydroquinoxaline","Acta Crystallographica Section E","2012","68","7","o2212","","10.1107/S1600536812028061","","","1.54178","CuKα","","0.0359","0.0355","","","0.0986","0.0989","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235504","6.6148","0.0009","18.463","0.002","29.286","0.003","90","","90","","90","","3576.7","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido[<i>N</i>-(2- oxidobenzylidene)isoleucinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']vanadium(V)","","- C15 H22 N O6 V -","- C15 H22 N O6 V -","- C120 H176 N8 O48 V8 -","8","2","HY2555","Wang, Chengyuan; Guo, Zhenghua; Dong, Jianfang; Li, Lianzhi","(Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido[<i>N</i>-(2-oxidobenzylidene)isoleucinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']vanadium(V)","Acta Crystallographica Section E","2012","68","7","m982","","10.1107/S1600536812028231","","","0.71073","MoKα","","0.163","0.0922","","","0.1925","0.2151","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235508","8.908","0.0005","16.5249","0.0012","18.6981","0.0013","90","","90","","90","","2752.4","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{(<i>S</i>)-2-[({2-[1-(Anthracen-9-ylmethyl)pyrrolidine-2- carboxamido]phenyl}(phenyl)methylidene)amino]acetato(2-)- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^}nickel(II)","","- C35 H29 N3 Ni O3 -","- C35 H29 N3 Ni O3 -","- C140 H116 N12 Ni4 O12 -","4","1","IM2378","Padělková, Zdeňka; Popkov, Alexander; Nádvorník, Milan","{(<i>S</i>)-2-[({2-[1-(Anthracen-9-ylmethyl)pyrrolidine-2-carboxamido]phenyl}(phenyl)methylidene)amino]acetato(2{-})-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>^1^}nickel(II)","Acta Crystallographica Section E","2012","68","7","m954","m955","10.1107/S1600536812026827","","","0.71073","MoKα","","0.0674","0.0438","","","0.0755","0.0867","","","","","","1.189","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235519","6.6678","0.0002","12.0783","0.0006","20.0529","0.0008","90","","90","","90","","1614.97","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-Methyl-4-[1-(1-phenylethylidene)-hydrazin-2-ylidene]-3,4-dihydro-1<i>H</i>- 2λ^6^,1-benzothiazine-2,2-dione","1-Methyl-4-[1-(1-phenylethylidene)-hydrazin-2-ylidene]-3,4-dihydro-1<i>H</i>- 2λ^6^,1-benzothiazine-2,2-dione","","- C17 H17 N3 O2 S -","- C17 H17 N3 O2 S -","- C68 H68 N12 O8 S4 -","4","1","IS5153","Shafiq, Muhammad; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad; Mahmood, Tariq; Ashfaq, Muhammad; Ahmad, Saeed","1-Methyl-4-[1-(1-phenylethylidene)-hydrazin-2-ylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2012","68","7","o2100","","10.1107/S1600536812025743","","","0.71073","MoKα","","0.0694","0.0449","","","0.0964","0.1079","","","","","","0.972","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235562","7.549","0.005","12.23","0.005","12.308","0.005","90","","90","","90","","1136.3","1","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(3-Methoxyphenyl)-1,3-dihydro-1,3,2-benzodiazaborole","","- C13 H13 B N2 O -","- C13 H13 B N2 O -","- C52 H52 B4 N8 O4 -","4","1","NK2170","Robinson, Ross S.; Sithebe, Siphamandla; Akerman, Matthew P.","2-(3-Methoxyphenyl)-1,3-dihydro-1,3,2-benzodiazaborole","Acta Crystallographica Section E","2012","68","7","o2241","","10.1107/S1600536812028437","","","0.71073","MoKα","","0.0377","0.0344","","","0.0928","0.094","","","","","","1.045","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2235572","8.202","0.0006","9.8957","0.0008","27.972","0.002","90","","90","","90","","2270.3","0.3","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17α-acetoxy-11β-hydroxy-6α-methylpregn-4-ene-3,20-dione","","- C24 H34 O5 -","- C24 H34 O5 -","- C96 H136 O20 -","4","1","PV2530","Yousuf, Sammer; Bano, Saira; Choudhary, M. Iqbal","17α-Acetoxy-11β-hydroxy-6α-methylpregn-4-ene-3,20-dione","Acta Crystallographica Section E","2012","68","7","o2006","","10.1107/S1600536812017631","","","0.71073","MoKα","","0.0686","0.0427","","","0.0897","0.1006","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235574","10.5104","0.0012","11.5726","0.0014","15.4401","0.0018","90","","90","","90","","1878","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,5a,9-Trimethyl-8-(2-phenylhydrazin-1-ylidene)-4,5,5a,9b- tetrahydro-3a<i>H</i>,8<i>H</i>-naphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","PV2547","Yousuf, Sammer; Younas, Syed M.; Ambreen, Nida; Khan, Khalid M.; Miana, Ghulam A.","3,5a,9-Trimethyl-8-(2-phenylhydrazin-1-ylidene)-4,5,5a,9b-tetrahydro-3a<i>H</i>,8<i>H</i>-naphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2112","","10.1107/S1600536812023847","","","0.71073","MoKα","","0.0769","0.0433","","","0.0853","0.0991","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235590","6.2664","0.0012","7.1342","0.0012","20.41","0.002","90","","90","","90","","912.4","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ammonium 4-methoxybenzenesulfonate","","- C7 H11 N O4 S -","- C7 H11 N O4 S -","- C28 H44 N4 O16 S4 -","4","1","QM2074","Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","Ammonium 4-methoxybenzenesulfonate","Acta Crystallographica Section E","2012","68","7","o2228","o2229","10.1107/S1600536812028103","","","0.71073","MoKα","","0.0473","0.042","","","0.1164","0.1191","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235605","9.6203","0.0019","12.87","0.003","21.227","0.004","90","","90","","90","","2628.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-[(2-Methoxybenzyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9- tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol-6(8<i>H</i>)-one","","- C30 H31 N O8 -","- C30 H31 N O8 -","- C120 H124 N4 O32 -","4","1","RZ2767","Shi, Shaoyu; Tian, Danli; Luo, Gang; Ai, Ting; Chen, Hong","9-[(2-Methoxybenzyl)amino]-5-(3,4,5-trimethoxyphenyl)-5,5a,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-<i>d</i>][1,3]dioxol-6(8<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2045","","10.1107/S160053681202572X","","","0.71073","MoKα","","0.069","0.0503","","","0.1046","0.1141","","","","","","0.89","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235607","8.6","0.0009","10.7458","0.0011","19.729","0.002","90","","90","","90","","1823.2","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-[(2-Hydroxyphenyl)imino]-3,5a,9-trimethyl-3a,4,5,5a,8,9b- hexahydronaphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","RZ2770","Yousuf, Sammer; Younas, Syed M.; Ambreen, Nida; Khan, Khalid M.; Miana, Ghulam A.","8-[(2-Hydroxyphenyl)imino]-3,5a,9-trimethyl-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-<i>b</i>]furan-2(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","7","o2158","","10.1107/S1600536812027146","","","0.71073","MoKα","","0.0692","0.0412","","","0.0858","0.1012","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235634","8.7826","0.0004","10.3999","0.0005","11.1827","0.0003","90","","90","","90","","1021.41","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-4-(2-Hydroxyanilino)pent-3-en-2-one","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","SU2455","Fatiha, Benghanem; Saida, Keraghel; Safia, Chahmana; Ali, Ourari; Lydia, Brelot","(<i>Z</i>)-4-(2-Hydroxyanilino)pent-3-en-2-one","Acta Crystallographica Section E","2012","68","7","o2188","o2189","10.1107/S1600536812027894","","","0.71073","MoKα","","0.051","0.0472","","","0.1213","0.1255","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235647","6.0621","0.0001","17.2963","0.0003","18.5398","0.0003","90","","90","","90","","1943.93","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-4-Isopropyl-3-isopropylsulfanyl-5,5-diphenyl-1,3-oxazolidin-2-one","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","TK5109","Pozza Silveira, Gustavo; Bonfante de Carvallho, Cassandra; Oliver, Allen","(<i>R</i>)-4-Isopropyl-3-isopropylsulfanyl-5,5-diphenyl-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2012","68","7","o2048","","10.1107/S160053681202569X","","","1.54178","CuKα","","0.0289","0.0274","","","0.0702","0.0709","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235713","6.226","0.00001","8.3968","0.0002","33.5357","0.0007","90","","90","","90","","1753.2","0.06","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","3,9'-Bi(9<i>H</i>-fluorene)","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","ZJ2080","Liu, Jie; Yu, Wentao","3,9'-Bi(9<i>H</i>-fluorene)","Acta Crystallographica Section E","2012","68","7","o2081","","10.1107/S1600536812024841","","","0.71073","MoKα","","0.0439","0.0349","","","0.0852","0.091","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235743","7.5547","0.0003","11.8792","0.0006","22.1103","0.001","90","","90","","90","","1984.26","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Isopropyl-2,6-bis(4-methoxyphenyl)piperidin-4-one","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","BT5928","Ravichandran, K.; Sethuvasan, S.; Thirunavukarasu, K.; Ponnuswamy, S.; Ponnuswamy, M. N.","3-Isopropyl-2,6-bis(4-methoxyphenyl)piperidin-4-one","Acta Crystallographica Section E","2012","68","8","o2453","","10.1107/S1600536812030966","","","0.71073","MoKα","","0.0791","0.0436","","","0.1052","0.1209","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235766","4.6933","0.001","17.501","0.003","19.917","0.004","90","","90","","90","","1635.9","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>*)-Methyl 2-(2,6-dimethoxy-3,5-dinitrobenzamido)propanoate","","- C13 H15 N3 O9 -","- C13 H15 N3 O9 -","- C52 H60 N12 O36 -","4","1","BX2416","Li, Xiaofei; Tong, Yan","(<i>R</i>*)-Methyl 2-(2,6-dimethoxy-3,5-dinitrobenzamido)propanoate","Acta Crystallographica Section E","2012","68","8","o2386","","10.1107/S1600536812029935","","","0.71073","MoKα","","0.063","0.0454","","","0.1402","0.1532","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235772","6.052","0.002","6.959","0.002","25.12","0.008","90","","90","","90","","1058","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Potassium [(1<i>S</i>)-1-azido-2-phenylethyl]trifluoridoborate","","- C8 H8 B F3 K N3 -","- C8 H8 B F3 K N3 -","- C32 H32 B4 F12 K4 N12 -","4","1","CV5318","Lejon, Tore; Gorovoy, Alexey S.; Khrustalev, Victor N.","Potassium [(1<i>S</i>)-1-azido-2-phenylethyl]trifluoridoborate","Acta Crystallographica Section E","2012","68","8","m1048","","10.1107/S1600536812030085","","","0.71073","MoKα","","0.1301","0.0504","","","0.0639","0.0813","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235806","7.3483","0.0005","19.698","0.002","33.44","0.003","90","","90","","90","","4840.3","0.7","136","2","136","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diosgenin hemihydrate","(25<i>R</i>)-Spirost-5-en-3-ol hemihydrate","","- C27 H43 O3.5 -","- C27 H43 O3.5 -","- C216 H344 O28 -","8","2","GG2085","Hernández Linares, María-Guadalupe; Bernès, Sylvain; Flores-Alamo, Marcos; Guerrero-Luna, Gabriel; Martínez-Gallegos, Anselmo A.","Diosgenin hemihydrate","Acta Crystallographica Section E","2012","68","8","o2357","","10.1107/S1600536812027912","","","1.5418","CuKα","","0.0993","0.0722","","","0.1588","0.1771","","","","","","1.13","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235811","8.3817","0.0001","9.9238","0.0002","22.809","0.0004","90","","90","","90","","1897.21","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>,<i>E</i>)-3-(4-Chlorophenyl)-1-phenylallyl 4-nitrobenzoate","","- C22 H16 Cl N O4 -","- C22 H16 Cl N O4 -","- C88 H64 Cl4 N4 O16 -","4","1","GG2092","Troshin, Konstantin; Mayer, Peter; Mayr, Herbert","(<i>R</i>,<i>E</i>)-3-(4-Chlorophenyl)-1-phenylallyl 4-nitrobenzoate","Acta Crystallographica Section E","2012","68","8","o2549","","10.1107/S1600536812032813","","","0.71073","MoKα","","0.0404","0.0333","","","0.079","0.0829","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235820","9.7813","0.0002","13.5885","0.0003","14.2698","0.0003","90","","90","","90","","1896.64","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","16α,17α-Epoxy-17β-(1<i>H</i>-imidazol-1-yl)androst-4-en-3-one monohydrate","","- C22 H30 N2 O3 -","- C22 H30 N2 O3 -","- C88 H120 N8 O12 -","4","1","GO2059","Anitha, A. G.; Hema, R.; Bansal, Ranju; Thota, Sridhar; Rizwana Begum, S.","16α,17α-Epoxy-17β-(1<i>H</i>-imidazol-1-yl)androst-4-en-3-one monohydrate","Acta Crystallographica Section E","2012","68","8","o2345","","10.1107/S1600536812029479","","","0.71073","MoKα","","0.0413","0.0328","","","0.0782","0.0825","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235824","12.8905","0.0002","12.982","0.0003","34.6469","0.001","90","","90","","90","","5798","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","40-Deoxy-40(<i>S</i>)-iodorapamycin","40-Deoxy-40(<i>S</i>)-iodorapamycin","","- C51 H78 I N O12 -","- C51 H78 I N O12 -","- C204 H312 I4 N4 O48 -","4","1","HB6726","Xie, Lijun; Zuo, Jian; Yang, Guoxin; Zheng, Congshen; Cheng, Yuanrong","40-Deoxy-40(<i>S</i>)-iodorapamycin","Acta Crystallographica Section E","2012","68","8","o2331","","10.1107/S1600536812027547","","","1.54178","CuKα","","0.0613","0.0486","","","0.1241","0.1356","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235827","11.2965","0.0004","15.3594","0.0005","20.6641","0.0007","90","","90","","90","","3585.4","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[μ-Bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>]decacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-<i>triangulo</i>-triosmium(0)","","- C35 H22 As2 O10 Os3 -","- C35 H22 As2 O10 Os3 -","- C140 H88 As8 O40 Os12 -","4","1","HB6822","bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Quah, Ching Kheng; Fun, Hoong-Kun","[μ-Bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>]decacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^4^<i>C</i>-<i>triangulo</i>-triosmium(0)","Acta Crystallographica Section E","2012","68","8","m1119","m1120","10.1107/S1600536812024208","","","0.71073","MoKα","","0.0193","0.0177","","","0.0397","0.0401","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235865","7.7487","0.0003","11.3404","0.0003","14.2969","0.0004","90","","90","","90","","1256.32","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(<i>E</i>)-4-Fluorobenzylidene]-3,4-dimethylaniline","","- C15 H14 F N -","- C15 H14 F N -","- C60 H56 F4 N4 -","4","1","IM2381","Jin, Yue-Bao; Chang, Yong-Kang; Zhang, Ying; Lei, Ke-Wei","<i>N</i>-[(<i>E</i>)-4-Fluorobenzylidene]-3,4-dimethylaniline","Acta Crystallographica Section E","2012","68","8","o2415","","10.1107/S1600536812030474","","","0.71073","MoKα","","0.0489","0.0397","","","0.0965","0.103","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235869","7.653","0.0006","8.4128","0.0006","8.6286","0.0006","90","","90","","90","","555.54","0.07","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-4-fluoroproline","(2<i>S</i>,4<i>R</i>)-4-Fluoropyrrolidinium-2-carboxylate","","- C5 H8 F N O2 -","- C5 H8 F N O2 -","- C20 H32 F4 N4 O8 -","4","1","IM2392","Hobart Jr, David B.; Merola, Joseph S.","(2<i>S</i>,4<i>R</i>)-4-Fluoropyrrolidinium-2-carboxylate","Acta Crystallographica Section E","2012","68","8","o2490","","10.1107/S1600536812031741","","","0.71073","MoKα","","0.0492","0.0378","","","0.0694","0.0727","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235870","9.7464","0.0014","12.1633","0.0016","13.5352","0.0018","90","","90","","90","","1604.6","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-3,7,7,10- tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H24 Br2 -","- C16 H24 Br2 -","- C64 H96 Br8 -","4","1","IM2394","Benharref, Ahmed; El Ammari, Lahcen; Lassaba, Essêdiya; Ourhriss, Najia; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","Acta Crystallographica Section E","2012","68","8","o2502","","10.1107/S1600536812032333","","","0.71073","MoKα","","0.0929","0.0487","","","0.1114","0.1322","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235871","8.7776","0.0015","8.7959","0.0015","41.737","0.007","90","","90","","90","","3222.4","0.9","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-ethyl-13-hydroxy-14-methyl-2-(3,4,5-trimethoxy-6-methyltetrahydro-2<i>H</i>- pyran-2-yloxy)-3,3a,5b,6,9,10,11,12,13,14,16a,16b-dodecahydro-1<i>H</i>- <i>as</i>-indaceno[3,2-<i>d</i>][1]oxacyclododecine-7,15(2<i>H</i>,5a<i>H</i>)- dione","","- C33 H50 O9 -","- C33 H50 O9 -","- C132 H200 O36 -","4","1","IS5144","Chai, Hongxin; Liu, Mingxing; Zhang, Qi; Shi, Daxin; Li, Jiarong","Pseudoaglycone of Spinosyn A","Acta Crystallographica Section E","2012","68","8","o2488","","10.1107/S1600536812028851","","","0.71073","MoKα","","0.061","0.0525","","","0.1285","0.1339","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235881","10.087","0.0011","12.1904","0.0013","16.5045","0.0018","90","","90","","90","","2029.5","0.4","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3,5-Triphenyl-2<i>H</i>-tetrazol-3-ium bromide ethanol monosolvate","","- C21 H21 Br N4 O -","- C21 H21 Br N4 O -","- C84 H84 Br4 N16 O4 -","4","1","IS5169","Fun, Hoong-Kun; Chia, Tze Shyang; Mostafa, Gamal A. E.; Hefnawy, Mohamed M.; Abdel-Aziz, Hatem A.","2,3,5-Triphenyl-2<i>H</i>-tetrazol-3-ium bromide ethanol monosolvate","Acta Crystallographica Section E","2012","68","8","o2566","","10.1107/S1600536812032953","","","0.71073","MoKα","","0.0307","0.0257","","","0.0631","0.0644","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235898","6.4976","0.0006","13.3343","0.0016","15.7648","0.0014","90","","90","","90","","1365.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-Methyl-5-[(<i>R</i>)-2,4,4,4-tetrachlorobutan-2-yl]cyclohex-2-enone","","- C11 H14 Cl4 O -","- C11 H14 Cl4 O -","- C44 H56 Cl16 O4 -","4","1","KP2431","Boualy, Brahim; Harrad, Mohamed Anouar; El Firdoussi, Larbi; Ali, Mustapha Ait; Stoeckli-Evans, Helen","(<i>R</i>)-2-Methyl-5-[(<i>R</i>)-2,4,4,4-tetrachlorobutan-2-yl]cyclohex-2-enone","Acta Crystallographica Section E","2012","68","8","o2451","o2452","10.1107/S1600536812031194","","","0.71073","MoKα","","0.0486","0.0285","","","0.0585","0.063","","","","","","0.866","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235914","8.8125","0.0005","12.5907","0.0007","21.9393","0.0011","90","","90","","90","","2434.3","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Andirobin","methyl 2-{(1<i>R</i>,2<i>R</i>)-2-[(1a<i>S</i>,4<i>S</i>,4a<i>S</i>,8a<i>S</i>)- 4-(furan-3-yl)-4a-methyl-8-methylene-2- oxooctahydrooxireno[2,3-<i>d</i>]isochromen-7-yl]-2,6,6-trimethyl- 5-oxocyclohex-3-en-1-yl}acetate","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","1","LR2061","Jittaniyom, Chutima; Sommit, Damrong; Muangsin, Nongnuj; Pudhom, Khanitha","Andirobin from <i>X. moluccensis</i>","Acta Crystallographica Section E","2012","68","8","o2550","o2551","10.1107/S1600536812027705","","","0.71073","MoKα","","0.0491","0.0411","","","0.1098","0.1167","","","","","","1.113","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235931","6.9593","0.0005","10.756","0.0008","20.8431","0.0014","90","","90","","90","","1560.19","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methyl-2-(2-nitrobenzenesulfonamido)pentanoic acid","","- C12 H16 N2 O6 S -","- C12 H16 N2 O6 S -","- C48 H64 N8 O24 S4 -","4","1","NG5283","Arshad, Muhammad Nadeem; Danish, Muhammad; Tahir, Muhammad Nawaz; Khalid, Savera; Asiri, Abdullah M.","4-Methyl-2-(2-nitrobenzenesulfonamido)pentanoic acid","Acta Crystallographica Section E","2012","68","8","o2573","","10.1107/S1600536812033260","","","0.71073","MoKα","","0.0667","0.0428","","","0.0828","0.0897","","","","","","0.994","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2235942","9.7309","0.0008","14.0994","0.0011","14.6","0.0011","90","","90","","90","","2003.1","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Diaqua[(1<i>R</i>,2<i>S</i>,4<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-2,9- dimethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) dichloride dihydrate","","- C12 H36 Cl2 N4 Ni O4 -","- C12 H36 Cl2 N4 Ni O4 -","- C48 H144 Cl8 N16 Ni4 O16 -","4","1","PK2429","Townsend, James Alan; Desper, John","Diaqua[(1<i>R</i>,2<i>S</i>,4<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-2,9-dimethyl-1,4,8,11-tetraazacyclotetradecane]nickel(II) dichloride dihydrate","Acta Crystallographica Section E","2012","68","8","m1111","m1112","10.1107/S160053681203276X","","","0.71073","MoKα","","0.0393","0.0331","","","0.079","0.0831","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2235969","8.3472","0.0005","11.2211","0.0007","13.4104","0.0009","90","","90","","90","","1256.08","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-{[(1<i>S</i>,2<i>R</i>)-2-Hydroxyindan-1-yl]amino}pent-3-en-2-one","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","RZ2785","Park, Ka Hyun; Go, Min Jeong; Lee, Hwi Hyun; Kim, Sungae; Lee, Junseong","4-{[(1<i>S</i>,2<i>R</i>)-2-Hydroxyindan-1-yl]amino}pent-3-en-2-one","Acta Crystallographica Section E","2012","68","8","o2455","","10.1107/S1600536812031169","","","0.71073","MoKα","","0.0617","0.039","","","0.0851","0.0945","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235973","4.912","0.0005","6.3131","0.0006","42.517","0.004","90","","90","","90","","1318.4","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","2-(4-Bromophenyl)-<i>N</i>-(3-chloro-4-fluorophenyl)acetamide","","- C14 H10 Br Cl F N O -","- C14 H10 Br Cl F N O -","- C56 H40 Br4 Cl4 F4 N4 O4 -","4","1","RZ2791","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","2-(4-Bromophenyl)-<i>N</i>-(3-chloro-4-fluorophenyl)acetamide","Acta Crystallographica Section E","2012","68","8","o2558","","10.1107/S1600536812032977","","","0.71073","MoKα","","0.0599","0.0544","","","0.1184","0.1201","","","","","","1.149","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2235977","7.647","0.003","8.145","0.003","15.583","0.006","90","","90","","90","","970.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methoxycarbonyl-6-nitrobenzoic acid","","- C9 H7 N O6 -","- C9 H7 N O6 -","- C36 H28 N4 O24 -","4","1","SJ5245","Lu, Zai-Sheng; Zhu, Guong-Zhou; Lu, Han; Wang, Xiang-Shan","2-Methoxycarbonyl-6-nitrobenzoic acid","Acta Crystallographica Section E","2012","68","8","o2404","","10.1107/S1600536812030462","","","0.71073","MoKα","","0.0277","0.0268","","","0.0759","0.0773","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236015","8.3711","0.0017","11.419","0.002","28.685","0.006","90","","90","","90","","2742","0.9","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl <i>ent</i>-15α-[(2-nitrobenzyloxy)methyl]-16-oxobeyeran-20-oate","","- C30 H41 N O6 -","- C30 H41 N O6 -","- C120 H164 N4 O24 -","4","1","WN2481","Wu, Ya; Wang, Xia; Gong, Jian-hong; Tao, Jing-chao","Ethyl <i>ent</i>-15α-[(2-nitrobenzyloxy)methyl]-16-oxobeyeran-20-oate","Acta Crystallographica Section E","2012","68","8","o2342","","10.1107/S1600536812029418","","","0.71073","MoKα","","0.0836","0.0698","","","0.1778","0.1857","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236019","8.472","0.0002","10.3043","0.0002","25.8774","0.0005","90","","90","","90","","2259.05","0.08","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2-Diethyl 3,4-dimethyl 5-(4-cyanophenyl)pyrrolidine-2,2,3,4-tetracarboxylate","","- C21 H24 N2 O8 -","- C21 H24 N2 O8 -","- C84 H96 N8 O32 -","4","1","XU5557","He, Long","2,2-Diethyl 3,4-dimethyl 5-(4-cyanophenyl)pyrrolidine-2,2,3,4-tetracarboxylate","Acta Crystallographica Section E","2012","68","8","o2363","","10.1107/S1600536812029625","","","1.54184","CuKα","","0.0595","0.05","","","0.1341","0.1413","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236021","7.6012","0.0003","12.238","0.0004","17.8839","0.0006","90","","90","","90","","1663.62","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6'-Oxybis[2-(hydroxymethyl)-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3,4,5-triol] dihydrate","","- C12 H26 O13 -","- C12 H26 O13 -","- C48 H104 O52 -","4","1","XU5574","Liu, Wei; Yan, Jun; Song, Qin; Gou, Xiao-Jun; Chen, Feng-Zheng","Trehalose dihydrate from <i>Tremella fuciformis</i>","Acta Crystallographica Section E","2012","68","8","o2511","","10.1107/S1600536812031947","","","0.71073","MoKα","","0.0401","0.0336","","","0.0705","0.0744","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236023","6.3331","0.0004","10.6761","0.0009","15.3714","0.001","90","","90","","90","","1039.3","0.13","295","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-{[(Pyridin-2-yl)amino]methyl}phenol","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","XU5581","Gao, Shan; Ng, Seik Weng","2-{[(Pyridin-2-yl)amino]methyl}phenol","Acta Crystallographica Section E","2012","68","8","o2473","","10.1107/S1600536812031340","","","0.71073","MoKα","","0.0783","0.0434","","","0.1082","0.1312","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236033","7.0494","0.0003","14.6994","0.0007","15.3608","0.0007","90","","90","","90","","1591.72","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4,6-Tri-<i>O</i>-acetyl-1,2-[(<i>S</i>)-ethylidene]-β-<i>D</i>- mannopyranose","","- C14 H20 O9 -","- C14 H20 O9 -","- C56 H80 O36 -","4","1","XU5592","Kinfe, Henok H.; Makolo, Felix L.; Phasha, Zanele; Muller, Alfred","3,4,6-Tri-<i>O</i>-acetyl-1,2-[(<i>S</i>)-ethylidene]-β-<small>D</small>-mannopyranose","Acta Crystallographica Section E","2012","68","8","o2520","","10.1107/S1600536812032369","","","1.54178","CuKα","","0.0274","0.0256","","","","0.0852","","","","","","1.203","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236049","6.1425","0.0001","9.4196","0.0002","11.0394","0.0003","90","","90","","90","","638.74","0.02","90","0.5","90","0.5","101.3","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-Oxotetrahydrofuran-3-aminium bromide","","- C4 H8 Br N O2 -","- C4 H8 Br N O2 -","- C16 H32 Br4 N4 O8 -","4","1","ZQ2176","Sandifer, Jace D.; Fronczek, Frank R.; Watkins, Steven F.","(<i>S</i>)-2-Oxotetrahydrofuran-3-aminium bromide","Acta Crystallographica Section E","2012","68","8","o2539","","10.1107/S1600536812032552","","","0.71073","MoKα","","","0.0218","","","","0.0485","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236050","5.8944","0.0004","11.4875","0.0011","43.795","0.003","90","","90","","90","","2965.4","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>~P~)-5-Methyl-2-(propan-2-yl)cyclohexyl phenyl{phenyl[(1-phenylethyl)amino]methyl}phosphinate","","- C31 H40 N O2 P -","- C31 H40 N O2 P -","- C124 H160 N4 O8 P4 -","4","1","ZS2207","Yang, Meng; Sun, Yong-Ming; Hou, Qing-Gao; Zhao, Chang-Qiu","(<i>R</i>~P~)-5-Methyl-2-(propan-2-yl)cyclohexyl phenyl{phenyl[(1-phenylethyl)amino]methyl}phosphinate","Acta Crystallographica Section E","2012","68","8","o2328","","10.1107/S1600536812028243","","","0.71073","MoKα","","0.1212","0.0602","","","0.115","0.1326","","","","","","0.907","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236051","5.4718","0.0001","8.402","0.0001","26.325","0.0005","90","","90","","90","","1210.27","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Phenyl-3<i>H</i>-2,3-benzodiazepin-4(5<i>H</i>)-one","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","ZS2221","Daouda, Ballo; Bihel, Frédéric; Doumbia, Mouhamadou Lamine; Essassi, El Mokhtar; Ng, Seik Weng","1-Phenyl-3<i>H</i>-2,3-benzodiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2012","68","8","o2443","","10.1107/S1600536812031327","","","0.71073","MoKα","","0.0439","0.04","","","0.1106","0.1151","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236055","5.7058","0.0001","5.8289","0.0001","27.315","0.0004","90","","90","","90","","908.46","0.03","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-Leucinium fluoride monohydrate","L-Leucinium fluoride monohydrate","","- C6 H16 F N O3 -","- C6 H16 F N O3 -","- C24 H64 F4 N4 O12 -","4","1","AA2065","Zeghouan, Ouahida; Bendjeddou, Lamia; Cherouana, Aouatef; Dahaoui, Slimane; Lecomte, Claude","<small>L</small>-Leucinium fluoride monohydrate","Acta Crystallographica Section E","2012","68","10","o2959","o2960","10.1107/S1600536812039001","","","0.71073","MoKα","","0.0328","0.0299","","","0.0772","0.0782","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236074","10.2227","0.0005","12.0375","0.0006","12.0941","0.0006","90","","90","","90","","1488.25","0.13","120.05","0.1","120.05","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,7<i>S</i>)-10-Ethyl-1,8,10,12- tetraazatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecan-10-ium iodide","","- C13 H25 I N4 -","- C13 H25 I N4 -","- C52 H100 I4 N16 -","4","1","BH2451","Rivera, Augusto; Osorio, Héctor Jairo; Sadat-Bernal, John; Eigner, Václav; Dušek, Michal","(2<i>S</i>,7<i>S</i>)-10-Ethyl-1,8,10,12-tetraazatetracyclo[8.3.1.1^8,12^.0^2,7^]pentadecan-10-ium iodide","Acta Crystallographica Section E","2012","68","10","o3041","o3042","10.1107/S1600536812040159","","","0.7107","MoKα","","0.018","0.017","","","0.0407","0.0412","","","","","","1.19","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236108","5.3084","0.0003","9.5507","0.0007","31.315","0.002","90","","90","","90","","1587.64","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-benzenesulfonamido-4-methylpentanoate","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C56 H84 N4 O16 S4 -","4","1","BT5998","Arshad, Muhammad Nadeem; Danish, Muhammad; Tahir, Muhammad Nawaz; Khalid, Savera; Asiri, Abdullah M.","Ethyl 2-benzenesulfonamido-4-methylpentanoate","Acta Crystallographica Section E","2012","68","10","o2874","","10.1107/S1600536812037658","","","0.71073","MoKα","","0.0458","0.0385","","","0.0932","0.0978","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236121","6.616","0.007","9.261","0.009","25.12","0.03","90","","90","","90","","1539","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>*,3<i>S</i>*,3a<i>S</i>*,6<i>S</i>*,7a<i>R</i>*)-3-Hydroxy- 2-[(2<i>R</i>*,3<i>S</i>*)-3-isopropyloxiran-2-yl]-3,6-dimethyl- 3,3a,5,6,7,7a-hexahydro-1-benzofuran-4(2<i>H</i>)-one","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","BT6831","Ding, Mingruo; Zhang, Qiaoyin; Chen, Lei; Huang, Nianyu; Wang, Junzhi","(2<i>S</i>*,3<i>S</i>*,3a<i>S</i>*,6<i>S</i>*,7a<i>R</i>*)-3-Hydroxy-2-[(2<i>R</i>*,3<i>S</i>*)-3-isopropyloxiran-2-yl]-3,6-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-4(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","10","o2949","","10.1107/S1600536812038470","","","0.71073","MoKα","","0.0833","0.0665","","","0.17","0.1853","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236156","5.517","0.0011","11.622","0.002","11.964","0.002","90","","90","","90","","767.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(2<i>S</i>)-2-Chloropropanoyl]glycine","","- C5 H8 Cl N O3 -","- C5 H8 Cl N O3 -","- C20 H32 Cl4 N4 O12 -","4","1","CV5331","Sun, Hong-shun; Tang, Yi; Li, Yu-long; Xu, Ning; Xu, Hong","<i>N</i>-[(2<i>S</i>)-2-Chloropropanoyl]glycine","Acta Crystallographica Section E","2012","68","9","o2814","","10.1107/S1600536812036720","","","0.71073","MoKα","","0.0395","0.0351","","","0.0969","0.1","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236168","7.6223","0.0003","7.6289","0.0003","12.6967","0.0004","90","","90","","90","","738.31","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Aminoquinoline","Quinolin-3-amine","","- C9 H8 N2 -","- C9 H8 N2 -","- C36 H32 N8 -","4","1","CV5347","Islor, Arun M.; Chandrakantha, B.; Shetty, Prakash; Gerber, Thomas; Hosten, Eric; Betz, Richard","Quinolin-3-amine","Acta Crystallographica Section E","2012","68","11","o3155","","10.1107/S1600536812042626","","","0.71073","MoKα","","0.0344","0.0323","","","0.0882","0.0912","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236176","14.7603","0.001","15.1301","0.0017","16.2847","0.0009","90","","90","","90","","3636.8","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(8a<i>R</i>,9<i>R</i>)-9-Hydroxy-7,8,8a,9- tetrahydrofuro[3,2-<i>f</i>]indolizin-6(4<i>H</i>)-one","","- C10 H11 N O3 -","- C10 H11 N O2.99925 -","- C160 H176 N16 O47.988 -","16","4","DS2219","Vrábel, Viktor; Švorc, Ľubomír; Šafář, Peter; Sivý, Július; Jozefína, Žúžiová","(8a<i>R</i>,9<i>R</i>)-9-Hydroxy-7,8,8a,9-tetrahydrofuro[3,2-<i>f</i>]indolizin-6(4<i>H</i>)-one","Acta Crystallographica Section E","2012","68","10","o3034","o3035","10.1107/S1600536812040378","","","0.71073","MoKα","","0.0415","0.0344","","","0.082","0.0859","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236178","8.4974","0.0003","11.8566","0.0004","13.958","0.0004","90","","90","","90","","1406.27","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3a<i>S</i>,4<i>S</i>,6<i>S</i>,7a<i>R</i>)-Hexahydro-3a,5,5-trimethyl-2- phenyl-4,6-methano-1,3,2-benzodioxaborole","","- C16 H21 B O2 -","- C16 H21 B O2 -","- C64 H84 B4 O8 -","4","1","FB2267","Lejon, Tore; Gozhina, Olga V.; Khrustalev, Victor N.","(3a<i>S</i>,4<i>S</i>,6<i>S</i>,7a<i>R</i>)-Hexahydro-3a,5,5-trimethyl-2-phenyl-4,6-methano-1,3,2-benzodioxaborole","Acta Crystallographica Section E","2012","68","11","o3103","","10.1107/S1600536812041712","","","0.71073","MoKα","","0.0375","0.0339","","","0.0889","0.092","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236185","5.6227","0.0001","10.2571","0.0002","34.2115","0.0006","90","","90","","90","","1973.07","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclo(pro-val)","(3<i>S</i>,8a<i>S</i>)-3-Isopropylhexahydropyrrolo[1,2-<i>a</i>]pyrazine-1,4- dione","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C80 H128 N16 O16 -","8","2","FF2084","Liu, Xiang-Yang; Wang, Cheng; Cheng, Yi-Qiang","Cyclo(-<small>L</small>-prolyl-<small>L</small>-valinyl-) from <i>Burkholderia thailandensis</i> MSMB43","Acta Crystallographica Section E","2012","68","11","o3182","o3183","10.1107/S1600536812043000","","","1.54178","CuKα","","0.0364","0.0308","","","0.0722","0.0749","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2236203","4.5151","0.0001","11.6102","0.0003","22.3255","0.0007","90","","90","","90","","1170.33","0.05","100","1","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-<i>N</i>-Ethyl-2-(5-fluoro-2-oxoindolin-3- ylidene)hydrazinecarbothioamide","","- C11 H11 F N4 O S -","- C11 H11 F N4 O S -","- C44 H44 F4 N16 O4 S4 -","4","1","FY2062","Ali, Amna Qasem; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Salhin, Abdussalam; Fun, Hoong-Kun","(<i>Z</i>)-<i>N</i>-Ethyl-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2012","68","10","o2868","o2869","10.1107/S1600536812036471","","","0.71073","MoKα","","0.0899","0.0644","","","0.0886","0.0981","","","","","","1.094","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236226","4.6141","0.0002","11.7335","0.0004","20.146","0.0008","90","","90","","90","","1090.7","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one","","- C8 H10 Cl N3 O2 S -","- C8 H10 Cl N3 O2 S -","- C32 H40 Cl4 N12 O8 S4 -","4","1","GK2519","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Shripanavar, Chetan S.; Banerjee, Kaushik","3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one","Acta Crystallographica Section E","2012","68","11","o3109","","10.1107/S1600536812042031","","","0.71073","MoKα","","0.0361","0.0314","","","0.0778","0.081","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236228","5.08891","0.00017","11.2542","0.0004","15.8802","0.0006","90","","90","","90","","909.48","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Allyloxybenzamide","2-(Prop-2-enyloxy)benzamide","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","GK2521","Bugenhagen, Bernhard; Al Jasem, Yosef; Barkhad, Farah; al Hindawi, Bassam; Thiemann, Thies","2-(Prop-2-enyloxy)benzamide","Acta Crystallographica Section E","2012","68","11","o3169","o3170","10.1107/S1600536812042250","","","1.5418","CuKα","","0.0363","0.0332","","","0.0846","0.0873","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236234","5.701","0.005","12.485","0.005","26.736","0.005","90","0.005","90","0.005","90","0.005","1903","1.9","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,5-Dimethyl-2-phenyl-4-[phenyl(pyridin-2-ylamino)methyl]-1<i>H</i>- pyrazol-3(2<i>H</i>)-one","","- C23 H22 N4 O -","- C23 H22 N4 O -","- C92 H88 N16 O4 -","4","1","GO2065","Krishnakumar, K.; Franklin, S.; Prabhu, G. Venkatesa; Balasubramanian, T.","1,5-Dimethyl-2-phenyl-4-[phenyl(pyridin-2-ylamino)methyl]-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3193","","10.1107/S1600536812042936","","","0.71073","MoKα","","0.0576","0.0398","","","","0.0945","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236260","4.7603","0.0001","11.4614","0.0003","26.6255","0.0006","90","","90","","90","","1452.68","0.06","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(2-Bromophenyl)-2-(naphthalen-1-yl)acetamide","","- C18 H14 Br N O -","- C18 H14 Br N O -","- C72 H56 Br4 N4 O4 -","4","1","HB6923","Fun, Hoong-Kun; Quah, Ching Kheng; Nayak, Prakash S.; Narayana, B.; Sarojini, B. K.","<i>N</i>-(2-Bromophenyl)-2-(naphthalen-1-yl)acetamide","Acta Crystallographica Section E","2012","68","9","o2657","","10.1107/S1600536812034423","","","0.71073","MoKα","","0.0345","0.0287","","","0.0593","0.0612","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236304","8.6177","0.0004","12.4157","0.0006","26.8632","0.0013","90","","90","","90","","2874.2","0.2","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-epiclusianone","3-benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methylbut-2- enyl)bicyclo[3.3.1]non-3-ene-2,9-dione","","- C33 H42 O4 -","- C33 H42 O4 -","- C132 H168 O16 -","4","1","HB6978","Christian, Omar E.; Fronczek, Frank R.; Ky, Khoa; Pradhan, Shreedu; Manandhar, Anjela; Richmond, Cecilia","Redetermination and absolute configuration of (+)-7-epiclusianone","Acta Crystallographica Section E","2012","68","11","o3222","o3223","10.1107/S1600536812043784","","","1.54184","CuKα","","0.0281","0.0279","","","0.0734","0.0735","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236402","5.4539","0.0001","14.0521","0.0003","16.5163","0.0004","90","","90","","90","","1265.79","0.05","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>L</i>-Tyrosine isopropyl ester","Isopropyl (2<i>S</i>)-2-amino-3-(4-hydroxyphenyl)propanoate","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","IS5203","Nuñez-Dallos, Nelson; Wurst, Klaus; Quevedo, Rodolfo","<small>L</small>-Tyrosine isopropyl ester","Acta Crystallographica Section E","2012","68","11","o3173","","10.1107/S1600536812042377","","","0.71073","MoKα","","0.0377","0.0364","","","0.0979","0.0991","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236408","5.291","0.002","17.809","0.005","26.622","0.009","90","","90","","90","","2508.5","1.5","123","0.5","123","0.5","101.3","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-2-(2,3-dihydro-1<i>H</i>-inden-1-ylidene)-2,3-dihydro-1<i>H</i>- inden-1-one","","- C18 H14 O -","- C18 H14 O -","- C144 H112 O8 -","8","2","JJ2149","Li, Hairong; Fronczek, Frank R.; Watkins, Steven F.","Orthorhombic polymorph of (2<i>E</i>)-2-(2,3-dihydro-1<i>H</i>-inden-1-ylidene)-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2012","68","9","o2756","","10.1107/S1600536812035994","","","0.71073","MoKα","","","0.0569","","","","0.1104","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236415","7.5271","0.0009","12.4095","0.0015","12.58","0.0014","90","","90","","90","","1175.1","0.2","103","","103","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(3-Chloro-2-methylphenyl)iminomethyl]phenol","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C56 H48 Cl4 N4 O4 -","4","1","KJ2211","Manjunath, B. C.; Abdoh, M. M. M; Mallesha, L.; Mohana, K. N.; Lokanath, N. K.","4-[(3-Chloro-2-methylphenyl)iminomethyl]phenol","Acta Crystallographica Section E","2012","68","11","o3191","","10.1107/S1600536812043140","","","0.71073","MoKα","","0.052","0.0465","","","0.1185","0.1231","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236417","7.06","0.002","9.412","0.003","23.321","0.006","90","","90","","90","","1549.7","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(3,5-dinitrobenzamido)-3-methylbutanoate","","- C13 H15 N3 O7 -","- C13 H15 N3 O7 -","- C52 H60 N12 O28 -","4","1","KP2434","Li, Xiaokun; Zhao, Yuqing","Methyl 2-(3,5-dinitrobenzamido)-3-methylbutanoate","Acta Crystallographica Section E","2012","68","11","o3098","","10.1107/S1600536812040895","","","0.71073","MoKα","","0.0539","0.0446","","","0.1226","0.1312","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236420","8.8092","0.0004","9.4066","0.0004","18.2661","0.0007","90","","90","","90","","1513.61","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diphenyl(pyridin-2-yl)phosphane selenide","","- C17 H14 N P Se -","- C17 H14 N P Se -","- C68 H56 N4 P4 Se4 -","4","1","KP2438","Davis, Wade L.; Muller, Alfred","Diphenyl(pyridin-2-yl)phosphane selenide","Acta Crystallographica Section E","2012","68","11","o3073","","10.1107/S160053681204007X","","","1.54178","CuKα","","0.0214","0.021","","","0.0524","0.0527","","","","","","0.873","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236429","4.8728","0.001","11.711","0.003","23.378","0.006","90","","90","","90","","1334.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(1,3-Benzothiazol-2-yl)-6-ethoxyphenol","","- C15 H13 N O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","LH5505","Kargar, Hadi; Kia, Reza; Sharafi, Zahra; Jahromi, Hossein Jalali; Tahir, Muhammad Nawaz","An orthorhombic polymorph of 2-(1,3-benzothiazol-2-yl)-6-ethoxyphenol","Acta Crystallographica Section E","2012","68","9","o2628","","10.1107/S1600536812033879","","","0.71073","MoKα","","0.1377","0.0675","","","0.1172","0.1444","","","","","","0.993","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236448","8.5242","0.0001","8.5707","0.0001","14.3585","0.0003","90","","90","","90","","1049.01","0.03","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(3<i>R</i>,4<i>R</i>,5<i>R</i>)-1-(2-carboxyethyl)-3,4-dihydroxy-5- hydroxymethyl-<i>L</i>-proline","<i>N</i>-(2-Carboxyethyl)-2,5-dideoxy-2,5-imino-<i>D</i>-mannonic acid","","- C9 H15 N O7 -","- C9 H15 N O7 -","- C36 H60 N4 O28 -","4","1","LH5524","Edgeley, David S.; Martínez, R. Fernando; Jenkinson, Sarah F.; Nash, Robert J.; Fleet, George W. J.; Thompson, Amber L.","<i>N</i>-(2-Carboxyethyl)-2,5-dideoxy-2,5-imino-<small>D</small>-mannonic acid [(3<i>R</i>,4<i>R</i>,5<i>R</i>)-1-(2-carboxyethyl)-3,4-dihydroxy-5-hydroxymethyl-<small>L</small>-proline]","Acta Crystallographica Section E","2012","68","10","o2865","o2866","10.1107/S1600536812037488","","","0.71073","MoKα","","0.0259","0.0242","","0.0615","0.0589","0.0615","","","","","","0.9311","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236462","6.8377","0.0003","8.1115","0.0004","28.6187","0.0016","90","","90","","90","","1587.31","0.14","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","<i>N</i>,<i>N</i>-Dibenzyl-<i>O</i>,<i>O</i>'-dimethyl thiophosphate","","","- C16 H20 N O2 P S -","- C16 H20 N O2 P S -","- C64 H80 N4 O8 P4 S4 -","4","1","LH5538","Raissi Shabari, Akbar; Sabbaghi, Fahimeh; Pourayoubi, Mehrdad; Nečas, Marek; Babiak, Michal","<i>N</i>,<i>N</i>-Dibenzyl-<i>O</i>,<i>O</i>'-dimethyl thiophosphate","Acta Crystallographica Section E","2012","68","11","o3074","","10.1107/S1600536812041220","","","0.71073","MoKα","","0.0301","0.0266","","","0.0631","0.0641","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236537","7.3264","0.0003","8.7103","0.0004","16.196","0.0007","90","","90","","90","","1033.55","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-Chlorophenylamino)-pent-3-en-2-one","","- C11 H12 Cl N O -","- C11 H12 Cl N O -","- C44 H48 Cl4 N4 O4 -","4","1","PK2444","Venter, Gertruida J.S.; Brink, Alice; Steyl, Gideon; Roodt, Andreas","4-(2-Chlorophenylamino)-pent-3-en-2-one","Acta Crystallographica Section E","2012","68","11","o3101","o3102","10.1107/S1600536812042043","","","0.71073","MoKα","","0.0261","0.0254","","","","0.0677","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236541","7.4612","0.0003","10.8737","0.0005","14.8465","0.0009","90","","90","","90","","1204.51","0.1","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-3-Methoxy-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","","- C12 H10 N2 O3 S -","- C12 H10 N2 O3 S -","- C48 H40 N8 O12 S4 -","4","1","PV2561","Akbal, Tufan; Ağar, Erbil; Erdönmez, Ahmet","(<i>Z</i>)-3-Methoxy-<i>N</i>-[(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2012","68","9","o2673","","10.1107/S1600536812033120","","","0.71073","MoKα","","0.0332","0.0301","","","0.0743","0.0756","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236577","8.4158","0.0007","16.1889","0.0013","21.7213","0.0018","90","","90","","90","","2959.4","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-{[2,2-Bis(diethylamino)ethan-2-yliumthioyl]sulfanyl}-1,1- bis(diethylamino)ethylium bis(perchlorate)","","- C20 H42 Cl2 N4 O8 S2 -","- C20 H42 Cl2 N4 O8 S2 -","- C80 H168 Cl8 N16 O32 S8 -","4","1","RK2371","Ohno, Keiji; Sugaya, Tomoaki; Fujihara, Takashi; Nagasawa, Akira","2-{[2,2-Bis(diethylamino)ethan-2-yliumthioyl]sulfanyl}-1,1-bis(diethylamino)ethylium bis(perchlorate)","Acta Crystallographica Section E","2012","68","9","o2753","o2754","10.1107/S1600536812035453","","","0.71073","MoKα","","0.0723","0.0551","","","0.1298","0.1398","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236580","7.2313","0.0001","16.2545","0.0001","20.2466","0.0002","90","","90","","90","","2379.81","0.04","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-(2‒bromobenzyl)cinchoninium bromide","1-(2-Bromobenzyl)-5-ethenyl-2-[hydroxy(quinolin-4-yl)methyl]- 1-azabicyclo[2.2.2]octan-1-ium bromide","","- C26 H28 Br2 N2 O -","- C26 H28 Br2 N2 O -","- C104 H112 Br8 N8 O4 -","4","1","RK2374","Skórska-Stania, Agnieszka; Jezierska-Zieba, Magdalena; Kakol, Barbara; Fedoryński, Michał; Oleksyn, Barbara J.","<i>N</i>-(2-Bromobenzyl)cinchoninium bromide","Acta Crystallographica Section E","2012","68","9","o2803","o2804","10.1107/S160053681203646X","","","0.71073","MoKα","","0.0407","0.0335","","","","0.071","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236637","10.222","0.002","7.128","0.002","16.537","0.004","90","","90","","90","","1204.9","0.5","100","0.5","100","0.5","101.3","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Nitro-1-[(trimethylsilyl)ethynyl]benzene","","- C11 H13 N O2 Si -","- C11 H13 N O2 Si -","- C44 H52 N4 O8 Si4 -","4","1","SU2491","Millican, Jasmine N.; Fronczek, Frank R.; Watkins, Steve F.","4-Nitro-1-[(trimethylsilyl)ethynyl]benzene: low-temperature polymorph at 100K","Acta Crystallographica Section E","2012","68","9","o2652","","10.1107/S1600536812034034","","","0.71073","MoKα","","","0.0505","","","","0.1229","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236663","6.3441","0.0001","11.1354","0.0002","13.7754","0.0003","90","","90","","90","","973.15","0.03","90","0.5","90","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-Amino-3-anilino-1<i>H</i>-pyrazole-4-carbonitrile","","- C10 H9 N5 -","- C10 H9 N5 -","- C40 H36 N20 -","4","1","TK5143","Mohamed, Shaaban K.; Akkurt, Mehmet; Fronczek, Frank R.; El-Remaily, Mahmoud A. A.; Abdelhamid, Antar A.","5-Amino-3-anilino-1<i>H</i>-pyrazole-4-carbonitrile","Acta Crystallographica Section E","2012","68","9","o2784","","10.1107/S1600536812036045","","","0.71073","MoKα","","0.0377","0.033","","","0.083","0.0859","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236666","9.8","0.003","14.2392","0.0004","14.7772","0.0005","90","","90","","90","","2062.1","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Acetato-κ^2^<i>O</i>,<i>O</i>')[2'-(di-<i>tert</i>-butylphosphanyl)-1,1'- biphenyl-κ^2^<i>P</i>,<i>C</i>^2^]palladium(II)","","- C22 H29 O2 P Pd -","- C22 H29 O2 P Pd -","- C88 H116 O8 P4 Pd4 -","4","1","TK5150","Arderne, Charmaine; Holzapfel, Cedric W.","(Acetato-κ^2^<i>O</i>,<i>O</i>')[2'-(di-<i>tert</i>-butylphosphanyl)-1,1'-biphenyl-κ^2^<i>P</i>,<i>C</i>^2^]palladium(II)","Acta Crystallographica Section E","2012","68","10","m1308","","10.1107/S1600536812040068","","","0.71073","MoKα","","0.0144","0.0139","","","0.0339","0.0342","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236723","4.483","0.006","12.521","0.018","13.71","0.02","90","","90","","90","","769.6","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Chloromethyl-2-hydroxybenzaldehyde","","- C8 H7 Cl O2 -","- C8 H7 Cl O2 -","- C32 H28 Cl4 O8 -","4","1","XU5608","Fu, Wei-Wei","3-Chloromethyl-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2012","68","10","o2928","","10.1107/S1600536812038421","","","0.71073","MoKα","","0.0619","0.0334","","","0.1108","0.133","","","","","","0.984","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236762","8.9668","0.0013","10.1506","0.0015","12.0238","0.0017","90","","90","","90","","1094.4","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[(<i>R</i>)-1-Hydroxybutan-2-yl]-1,2,3-benzotriazin-4(3<i>H</i>)-one","","- C11 H13 N3 O2 -","- C11 H13 N3 O2 -","- C44 H52 N12 O8 -","4","1","ZJ2097","Rocha-Alonzo, Fernando; Morales-Morales, David; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Parra-Hake, Miguel","3-[(<i>R</i>)-1-Hydroxybutan-2-yl]-1,2,3-benzotriazin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2012","68","11","o3240","o3241","10.1107/S1600536812043802","","","0.71073","MoKα","","0.0411","0.0336","","","0.0733","0.0758","","","","","","0.926","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236782","9.246","0.003","11.911","0.004","17.923","0.006","90","","90","","90","","1973.8","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(4-Methylphenyl)-<i>N</i>-{[(2-nitrophenyl)acetyl]oxy}benzamide","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","ZQ2182","Qu, Dong-Hui; Zhang, Hong-Xia; Ma, Jing","<i>N</i>-(4-Methylphenyl)-<i>N</i>-{[(2-nitrophenyl)acetyl]oxy}benzamide","Acta Crystallographica Section E","2012","68","10","o2974","","10.1107/S1600536812039360","","","0.71073","MoKα","","0.0779","0.0404","","","","0.1108","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236798","12.5237","0.0016","14.9638","0.0018","23.845","0.003","90","","90","","90","","4468.6","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^] (trifluoroacetato-κ<i>O</i>)silver(I)","","- C22 H12 Ag F3 N8 O2 -","- C22 H12 Ag F3 N8 O2 -","- C176 H96 Ag8 F24 N64 O16 -","8","2","ZS2235","Li, Jing; Jia, Xiao Cuan; Qi, Jun; Liu, Yuan Yuan; Ding, Yu","Bis[5-(pyridin-2-yl)pyrazine-2-carbonitrile-κ^2^<i>N</i>^4^,<i>N</i>^5^](trifluoroacetato-κ<i>O</i>)silver(I)","Acta Crystallographica Section E","2012","68","11","m1329","","10.1107/S1600536812040846","","","0.71073","MoKα","","0.0634","0.0438","","","0.1115","0.1291","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236815","6.7653","0.0008","12.2856","0.0011","37.943","0.004","90","","90","","90","","3153.7","0.6","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-6α-Hydroxy-5α-spirostan-3β-yl tosylate","","- C34 H50 O6 S -","- C34 H50 O6 S -","- C136 H200 O24 S4 -","4","1","BQ2379","Fernández-Herrera, María A.; Sandoval-Ramírez, Jesús; Bernès, Sylvain; Rodríguez-Acosta, Maricela; Hernández Linares, María-Guadalupe","(25<i>R</i>)-6α-Hydroxy-5α-spirostan-3β-yl tosylate","Acta Crystallographica Section E","2012","68","12","o3413","o3414","10.1107/S1600536812046600","","","0.71073","MoKα","","0.0471","0.0364","","","0.0834","0.0903","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236828","11.5913","0.0005","12.7572","0.0005","17.797","0.0007","90","","90","","90","","2631.69","0.19","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tricarbonylbis(1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene)iron","","- C25 H40 Fe N4 O3 -","- C25 H40 Fe N4 O3 -","- C100 H160 Fe4 N16 O12 -","4","1","BT6867","Ahmida, Aziza; Flörke, Ulrich; Henkel, Gerald","Tricarbonylbis(1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene)iron","Acta Crystallographica Section E","2012","68","12","m1556","","10.1107/S1600536812048179","","","0.71073","MoKα","","0.0363","0.0333","","","0.0801","0.0818","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236855","9.2846","0.0015","10.7203","0.0018","29.982","0.004","90","","90","","90","","2984.2","0.8","298","1","298","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β,6β-diacetoxy-5β-methyl-19-norcholest-9(10)-ene","19(10→5)-<i>abeo</i>-5β-cholest-9-ene-3β,6β-diyl diacetate","","- C31 H50 O4 -","- C31 H50 O4 -","- C124 H200 O16 -","4","1","FF2087","Ramírez Hernández, Johana; Sandoval-Ramírez, Jesús; Meza-Reyes, Socorro; Vega Báez, José Luis; Bernès, Sylvain","Westphalen's diol diacetate: 19(10\ρightarrow 5)-<i>abeo</i>-5β-cholest-9-ene-3β,6β-diyl diacetate","Acta Crystallographica Section E","2012","68","12","o3331","","10.1107/S1600536812045278","","","0.71073","MoKα","","0.0586","0.0482","","","0.1259","0.1355","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2236860","7.1049","0.0007","10.3558","0.0008","13.4325","0.0009","90","","90","","90","","988.32","0.14","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Methoxybenzamidinium nitrate","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C32 H44 N12 O16 -","4","1","FI2127","Irrera, Simona; Portalone, Gustavo","4-Methoxybenzamidinium nitrate","Acta Crystallographica Section E","2012","68","12","o3334","","10.1107/S1600536812045874","","","0.71069","MoKα","","0.0539","0.0377","","","0.0784","0.0829","","","","","","0.977","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236868","7.5263","0.0002","16.2157","0.0004","20.885","0.0005","90","","90","","90","","2548.89","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3β-Chloro-<i>N</i>-methoxy-<i>N</i>-methylcholest-5-ene-24-carboxamide","","- C26 H42 Cl N O2 -","- C26 H42 Cl N O2 -","- C104 H168 Cl4 N4 O8 -","4","1","FY2071","González, Karilys; Nieves, Karinel; Rodríguez, Abimael D.","3β-Chloro-<i>N</i>-methoxy-<i>N</i>-methylcholest-5-ene-24-carboxamide","Acta Crystallographica Section E","2012","68","12","o3471","","10.1107/S160053681204679X","","","0.71073","MoKα","","0.1123","0.0557","","","0.131","0.1565","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236880","6.7369","0.0001","14.7635","0.0003","16.3543","0.0003","90","","90","","90","","1626.6","0.05","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-3,7,7,10- tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","","- C16 H22 Br2 O -","- C16 H22 Br2 O -","- C64 H88 Br8 O4 -","4","1","GO2074","Oukhrib, Abdelouahd; Benharref, Ahmed; Saadi, Mohamed; El Ammari, Lahcen; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","Acta Crystallographica Section E","2012","68","12","o3341","o3342","10.1107/S1600536812046089","","","0.71073","MoKα","","0.0366","0.0295","","","0.0713","0.0739","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236895","6.4301","0.0004","12.0307","0.0007","21.069","0.0013","90","","90","","90","","1629.87","0.17","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-[(3<i>R</i>)-8,8-dimethyl-3,4-dihydro-2<i>H</i>-pyrano[2,3-<i>f</i>]chromen- 3-yl]benzene-1,3-diol","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","HB6989","Tantishaiyakul, Vimon; Suknuntha, Krit; Saithong, Saowanit; Pakawatchai, Chaveng","Glabridin","Acta Crystallographica Section E","2012","68","12","o3501","","10.1107/S1600536812048647","","","0.71073","MoKα","","0.0552","0.0464","","","0.0911","0.0946","","","","","","1.157","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236924","9.2614","0.0005","12.8215","0.0008","14.3966","0.0011","90","","90","","90","","1709.52","0.19","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-10-bromomethyl-3,7,7- trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H23 Br3 -","- C16 H23 Br3 -","- C64 H92 Br12 -","4","1","IM2411","Oukhrib, Abdelouahd; Benharref, Ahmed; Saadi, Mohamed; Daran, Jean-Claude; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dibromo-10-bromomethyl-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","Acta Crystallographica Section E","2012","68","12","o3394","o3395","10.1107/S1600536812046430","","","0.71073","MoKα","","0.0407","0.0337","","","0.0726","0.0751","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236938","7.5173","0.0003","8.1495","0.0003","34.166","0.0011","90","","90","","90","","2093.09","0.13","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","D-Nebiviololinium chloride hemihydrate","(<i>S</i>,<i>S</i>,<i>S</i>,<i>S</i>)-bis[2-(6-fluoro-3,4- dihydro-2<i>H</i>-1-benzopyran-2-yl)-2-hydroxyethyl]ammonium chloride hemihydrate","","- C22 H27 Cl F2 N O4.5 -","- C22 H27 Cl F2 N O4.5 -","- C88 H108 Cl4 F8 N4 O18 -","4","1","JJ2154","Rousselin, Yoann; Bruel, Amelie; Clavel, Alexandre","(<i>S</i>,<i>S</i>,<i>S</i>,<i>S</i>)-Nebivolol hydrochloride hemihydrate","Acta Crystallographica Section E","2012","68","12","o3352","","10.1107/S1600536812045813","","","0.71073","MoKα","","0.0865","0.0719","","","0.1286","0.137","","","","","","1.272","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2236963","7.5818","0.0003","8.3714","0.0002","21.0625","0.001","90","","90","","90","","1336.84","0.09","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4,6-trinitrophenyl benzoate","2,4,6-Trinitrophenyl benzoate","","- C13 H7 N3 O8 -","- C13 H7 N3 O8 -","- C52 H28 N12 O32 -","4","1","LH5562","Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Kennedy, Alan R.; Morrison, Catriona A.; De Almeida Santos, Regina H.","2,4,6-Trinitrophenyl benzoate","Acta Crystallographica Section E","2012","68","12","o3493","","10.1107/S1600536812048362","","","0.71073","MoKα","","0.0356","0.0318","","","0.0714","0.0731","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2236970","7.3504","0.0002","12.8524","0.0005","16.0372","0.0005","90","","90","","90","","1515.04","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Morphine hydrochloride anhydrate","(5α,6α)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol hydrochloride","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C68 H80 Cl4 N4 O12 -","4","1","LX2271","Gelbrich, Thomas; Braun, Doris E.; Griesser, Ulrich J.","Morphine hydrochloride anhydrate","Acta Crystallographica Section E","2012","68","12","o3358","o3359","10.1107/S1600536812046405","","","0.7107","MoKα","","0.0298","0.0273","","","0.0674","0.0687","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2236990","10.2874","0.0016","14.138","0.003","18.866","0.003","90","","90","","90","","2743.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11-Hydroxy-9-[1-(4-methylphenyl)-4-oxo-3-phenylazetidin-2-yl]-18-oxo-10-oxa- 2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12,14,16-triene-8- carbonitrile","","- C33 H29 N3 O5 -","- C33 H29 N3 O5 -","- C132 H116 N12 O20 -","4","1","PV2596","Suhitha, Sivasubramanian; Srinivasan, Thothadri; Rajesh, Raju; Raghunathan, Raghavachary; Velmurugan, Devadasan","11-Hydroxy-9-[1-(4-methylphenyl)-4-oxo-3-phenylazetidin-2-yl]-18-oxo-10-oxa-2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12,14,16-triene-8-carbonitrile","Acta Crystallographica Section E","2012","68","12","o3290","o3291","10.1107/S1600536812044479","","","0.71073","MoKα","","0.0753","0.0445","","","0.1028","0.1227","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237030","7.4423","0.0001","15.6578","0.0002","26.8496","0.0003","90","","90","","90","","3128.79","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(25<i>R</i>)-16β-Acetoxy-3β-bromo-23',26-epoxy-23',25-dimethyl-5α-cholest-23,23'-en-6-one dichloromethane monosolvate","","- C32 H47 Br Cl2 O5 -","- C32 H47 Br Cl2 O5 -","- C128 H188 Br4 Cl8 O20 -","4","1","SU2514","Rincón, Susana; Yépez, Rebeca; Ochoa, M. Eugenia; López, Yliana; Santillan, Rosa; Farfán, Norberto","(25<i>R</i>)-16β-Acetoxy-3β-bromo-23',26-epoxy-23',25-dimethyl-5α-cholest-23,23'-en-6-one dichloromethane monosolvate","Acta Crystallographica Section E","2012","68","12","o3260","o3261","10.1107/S1600536812043590","","","0.71073","MoKα","","0.1038","0.0683","","","0.1623","0.1809","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2237035","5.5099","0.0003","11.8839","0.0005","15.1704","0.0006","90","","90","","90","","993.34","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Iododurene","1-Iodo-2,3,5,6-tetramethylbenzene","","- C10 H13 I -","- C10 H13 I -","- C40 H52 I4 -","4","1","SU2521","Hamdouni, Noudjoud; Brihi, Ouarda; Medjroubi, Mohamed Larbi; Meinnel, Jean; Boudjada, Ali","Iododurene","Acta Crystallographica Section E","2012","68","12","o3391","","10.1107/S1600536812046557","","","0.71073","MoKα","","0.0404","0.0346","","0.0446","0.0402","0.0394","","","","","","1.0371","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237092","10.9189","0.0004","12.4167","0.0005","21.4545","0.0009","90","","90","","90","","2908.7","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Hexacarbonyl-2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-sulfido- tetrakis(tetrahydrofuran-1κ<i>O</i>)calciumdiiron(II)(<i>Fe</i>—<i>Fe</i>)","","- C22 H32 Ca Fe2 O10 S2 -","- C22 H32 Ca Fe2 O10 S2 -","- C88 H128 Ca4 Fe8 O40 S8 -","4","1","ZL2517","Ogienko, Mikhail A.; Naumov, Dmitry Yu.; Konchenko, Sergey N.","Hexacarbonyl-2κ^3^<i>C</i>,3κ^3^<i>C</i>-di-μ~3~-sulfido-tetrakis(tetrahydrofuran-1κ<i>O</i>)calciumdiiron(II)(<i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2012","68","12","m1559","m1560","10.1107/S1600536812048039","","","0.71073","MoKα","","0.0345","0.0267","","","0.0554","0.0574","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237093","7.4457","0.0001","12.1352","0.0004","36.1109","0.0011","90","","90","","90","","3262.8","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Dichloridobis(2-isocyanophenyl 4-methoxybenzoate)palladium(II) chloroform monosolvate","","- C31 H23 Cl5 N2 O6 Pd -","- C31 H23 Cl5 N2 O6 Pd -","- C124 H92 Cl20 N8 O24 Pd4 -","4","1","ZQ2184","Tskhovrebov, Alexander; Haukka, Matti","<i>cis</i>-Dichloridobis(2-isocyanophenyl 4-methoxybenzoate)palladium(II) chloroform monosolvate","Acta Crystallographica Section E","2012","68","12","m1476","m1477","10.1107/S1600536812045801","","","0.71073","MoKα","","0.06","0.037","","","0.0607","0.0668","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237111","6.3601","0.0003","11.2012","0.0006","28.3043","0.0014","90","","90","","90","","2016.42","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-16-(4-Chlorobenzylidene)estrone","","- C25 H25 Cl O2 -","- C25 H25 Cl O2 -","- C100 H100 Cl4 O8 -","4","1","BH2467","Suresh, J.; Thenmozhi, H.; Jeyachandran, Veerappan; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","(<i>E</i>)-16-(4-Chlorobenzylidene)estrone","Acta Crystallographica Section E","2013","69","1","o111","","10.1107/S1600536812050349","","","0.71073","MoKα","","0.0611","0.0431","","","0.0913","0.0995","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237154","10.2348","0.0004","16.4046","0.0007","22.3632","0.0009","90","","90","","90","","3754.7","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Chlorido[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione- κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) acetronitrile monosolvate","","- C40 H36 Cl Cu N4 P2 S -","- C40 H36 Cl Cu N4 P2 S -","- C160 H144 Cl4 Cu4 N16 P8 S4 -","4","1","HB7008","Wani, Kofsoh; Pakawatchai, Chaveng; Saithong, Saowanit","Chlorido[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) acetronitrile monosolvate","Acta Crystallographica Section E","2013","69","1","m34","m35","10.1107/S1600536812049537","","","0.71073","MoKα","","0.0427","0.0377","","","0.0838","0.0859","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237158","5.5097","0.0004","19.9357","0.0011","24.4597","0.0016","90","","90","","90","","2686.6","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-<i>O</i>-Acetyl-3,4,6-tri-<i>O</i>-benzyl-2-<i>C</i>-bromomethyl- 2-deoxy-α-<i>D</i>-glucopyranose","","- C30 H33 Br O6 -","- C30 H33 Br O6 -","- C120 H132 Br4 O24 -","4","1","HG5273","Kinfe, Henok H.; Makolo, Felix L.; Phasha, Zanele H.","1-<i>O</i>-Acetyl-3,4,6-tri-<i>O</i>-benzyl-2-<i>C</i>-bromomethyl-2-deoxy-α-<small>D</small>-glucopyranose","Acta Crystallographica Section E","2013","69","1","o73","","10.1107/S1600536812048453","","","1.54178","CuKα","","0.0469","0.0414","","","","0.0963","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237167","7.6989","0.001","12.737","0.004","13.74","0.004","90","","90","","90","","1347.4","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","morphine","(5α,6α)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","IM2413","Gelbrich, Thomas; Braun, Doris E.; Griesser, Ulrich J.","Stable polymorph of morphine","Acta Crystallographica Section E","2013","69","1","o2","","10.1107/S1600536812048945","","","1.5418","CuKα","","0.0992","0.0681","","","0.1246","0.1405","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237170","10.882","0.005","12.063","0.005","17.41","0.007","90","","90","","90","","2285.4","1.7","93","1","93","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Bis(2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')carbonylchloridoruthenium(II) hexafluoridophosphate","","- C21 H16 Cl F6 N4 O P Ru -","- C21 H16 Cl F6 N4 O P Ru -","- C84 H64 Cl4 F24 N16 O4 P4 Ru4 -","4","1","IS5220","Takase, Tsugiko; Mun, Bisa; Oyama, Dai","<i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')carbonylchloridoruthenium(II) hexafluoridophosphate","Acta Crystallographica Section E","2013","69","1","m1","m2","10.1107/S1600536812048246","","","0.71075","MoKα","","","0.0319","","","","0.0618","","","","","","1.083","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237173","6.675","0.0009","11.6952","0.0014","14.7283","0.0018","90","","90","","90","","1149.8","0.3","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","8-Hydroxy-5,7-dimethylquinolin-1-ium hydrogen sulfate","","- C11 H13 N O5 S -","- C11 H13 N O5 S -","- C44 H52 N4 O20 S4 -","4","1","IS5225","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","8-Hydroxy-5,7-dimethylquinolin-1-ium hydrogen sulfate","Acta Crystallographica Section E","2013","69","1","o42","o43","10.1107/S1600536812049483","","","0.71073","MoKα","","0.0427","0.0393","","","0.101","0.1028","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237222","7.5657","0.0006","10.8711","0.0007","11.5419","0.0007","90","","90","","90","","949.29","0.11","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methoxybenzamidinium bromide","","- C8 H11 Br N2 O -","- C8 H11 Br N2 O -","- C32 H44 Br4 N8 O4 -","4","1","RZ5032","Irrera, Simona; Portalone, Gustavo","4-Methoxybenzamidinium bromide","Acta Crystallographica Section E","2013","69","1","o56","","10.1107/S1600536812049872","","","0.71069","MoKα","","0.0356","0.0273","","","0.0527","0.0547","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237223","8.1989","0.0005","10.4442","0.0006","20.8877","0.0013","90","","90","","90","","1788.63","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>,<i>R</i>)-1-Acetyl-1'-(2,4,6-trinitrophenyl)-2,2'-bipyrrolidine","","- C16 H19 N5 O7 -","- C16 H19 N5 O7 -","- C64 H76 N20 O28 -","4","1","RZ5033","Eichstaedt, Katarzyna; Olszewska, Teresa; Gdaniec, Maria","(<i>R</i>,<i>R</i>)-1-Acetyl-1'-(2,4,6-trinitrophenyl)-2,2'-bipyrrolidine","Acta Crystallographica Section E","2013","69","1","o144","o145","10.1107/S1600536812051161","","","0.71073","MoKα","","0.0585","0.0432","","","0.0838","0.0896","","","","","","1.062","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237228","6.2529","0.0007","11.0931","0.001","27.64","0.002","90","","90","","90","","1917.2","0.3","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Benzyl isocyanide-κ<i>C</i>^1^)chlorido(2-chloro-3-dimethylamino-1-phenylprop- 1-en-1-yl-κ^2^<i>C</i>^1^,<i>N</i>)palladium(II)","","- C19 H20 Cl2 N2 Pd -","- C19 H20 Cl2 N2 Pd -","- C76 H80 Cl8 N8 Pd4 -","4","1","SU2529","Mafud, Ana C.; Oliviera, Milene A. R.; Gambardella, Maria T. P.","(Benzyl isocyanide-κ<i>C</i>^1^)chlorido(2-chloro-3-dimethylamino-1-phenylprop-1-en-1-yl-κ^2^<i>C</i>^1^,<i>N</i>)palladium(II)","Acta Crystallographica Section E","2013","69","1","m36","","10.1107/S1600536812049768","","","0.71073","MoKα","","0.0891","0.0389","","","","0.0854","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237245","6.2104","0.00015","6.93014","0.00016","26.7851","0.0007","90","","90","","90","","1152.8","0.05","140","2","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Potassium (1<i>R</i>,4<i>R</i>,5<i>S</i>,8<i>S</i>)-4,5,8-trihydroxy-3-oxo-2,6-dioxabicyclo[3.3.0]octane-4-sulfonate dihydrate","","- C6 H11 K O11 S -","- C6 H11 K O11 S -","- C24 H44 K4 O44 S4 -","4","1","WM2701","Haines, Alan H.; Hughes, David L.","Potassium (1<i>R</i>,4<i>R</i>,5<i>S</i>,8<i>S</i>)-4,5,8-trihydroxy-3-oxo-2,6-dioxabicyclo[3.3.0]octane-4-sulfonate dihydrate","Acta Crystallographica Section E","2013","69","1","m7","m8","10.1107/S1600536812048672","","","0.71073","Mo-Kα","","0.0178","0.0177","","","0.0475","0.0476","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237268","5.2989","0.0017","9.024","0.003","23.268","0.007","90","","90","","90","","1112.6","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(β-Carboxyethyl)-α-isoleucine","2-[(2-Carbamoylethyl)amino]-3-methylpentanoic acid","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C36 H72 N8 O12 -","4","1","BG2493","Nehls, Irene; Hanebeck, Olaf; Becker, Roland; Emmerling, Franziska","<i>N</i>-(β-Carboxyethyl)-α-isoleucine","Acta Crystallographica Section E","2013","69","2","o172","o173","10.1107/S160053681205146X","","","0.71073","MoKα","","0.0582","0.043","","","0.1084","0.1144","","","","","","0.95","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237279","6.296","0.0004","16.6389","0.0008","19.9475","0.0011","90","","90","","90","","2089.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>P</i>,<i>P</i>-Bis[4-(dimethylamino)phenyl]-<i>N</i>,<i>N</i>- bis(propan-2-yl)phosphinic amide","","- C22 H34 N3 O P -","- C22 H34 N3 O P -","- C88 H136 N12 O4 P4 -","4","1","BT6869","Evans, Stephen J.; Renison, C. Alicia; Williams, D. Bradley G.; Muller, Alfred","<i>P</i>,<i>P</i>-Bis[4-(dimethylamino)phenyl]-<i>N</i>,<i>N</i>-bis(propan-2-yl)phosphinic amide","Acta Crystallographica Section E","2013","69","2","o195","","10.1107/S1600536812050398","","","0.71073","MoKα","","0.0832","0.0502","","","","0.1098","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237281","7.0072","0.0011","15.215","0.003","19.579","0.003","90","","90","","90","","2087.4","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","<i>n</i>-Propyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<i>D</i>-glucopyranoside","(2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>R</i>)-2-(Acetoxymethyl)-6- propoxytetrahydro-2<i>H</i>-pyran-3,4,5-triyl triacetate","","- C17 H26 O10 -","- C17 H26 O10 -","- C68 H104 O40 -","4","1","BT6871","Mönch, Bettina; Emmerling, Franziska; Kraus, Werner; Becker, Roland; Nehls, Irene","<i>n</i>-Propyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2013","69","2","o158","","10.1107/S1600536812051495","","","0.71073","MoKα","","0.0877","0.0441","","","0.1038","0.1216","","","","","","0.873","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237352","6.311","0.0013","15.429","0.003","15.433","0.003","90","","90","","90","","1502.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(1<i>R</i>,3<i>S</i>)-2,2-Dichloro-3-(hydroxymethyl)cyclopropyl]methanol","","- C5 H8 Cl2 O2 -","- C5 H8 Cl2 O2 -","- C40 H64 Cl16 O16 -","8","2","LD2090","Kailani, Mohammed H.","[(1<i>R</i>,3<i>S</i>)-2,2-Dichloro-3-(hydroxymethyl)cyclopropyl]methanol","Acta Crystallographica Section E","2013","69","2","o225","","10.1107/S1600536813000366","","","0.71073","MoKα","","0.0592","0.0384","","","0.078","0.0847","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237359","8.696","0.0006","12.3708","0.0004","18.3303","0.001","90","","90","","90","","1971.91","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β-Acetoxy-19-hydroxy-Δ^5^-pregnen-20-one","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","LR2076","Meier zu Greffen, Aike; Kranz, Darius P.; Neudörfl, Jörg-M.; Schmalz, Hans-Günther","3β-Acetoxy-19-hydroxy-Δ^5^-pregnen-20-one","Acta Crystallographica Section E","2013","69","2","o313","","10.1107/S1600536813002493","","","0.71073","MoKα","","0.0543","0.0367","","","0.0743","0.0794","","","","","","0.987","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237388","7.0084","0.0008","7.9404","0.0009","23.064","0.003","90","","90","","90","","1283.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Chlorobenzene-1,4-diaminium bis(dihydrogenphosphate)","","- C6 H13 Cl N2 O8 P2 -","- C6 H13 Cl N2 O8 P2 -","- C24 H52 Cl4 N8 O32 P8 -","4","1","RU2048","Mrad, Mohamed Lahbib; Zeller, Matthias; Rzaigui, Mohamed; Ben Nasr, Cherif","2-Chlorobenzene-1,4-diaminium bis(dihydrogenphosphate)","Acta Crystallographica Section E","2013","69","2","o159","o160","10.1107/S1600536812051434","","","0.71073","MoKα","","0.0251","0.0245","","","0.064","0.0643","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237392","6.458","0.0004","13.4772","0.0008","16.3169","0.0009","90","","90","","90","","1420.15","0.14","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-Methoxy-<i>N</i>'-(2,4,6-trihydroxybenzylidene)benzohydrazide","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","RZ5037","Taha, Muhammad; Baharudin, M. Syukri; Ismail, Nor Hadiani; Shah, Syed Adnan Ali; Yousuf, Sammer","(<i>E</i>)-2-Methoxy-<i>N</i>'-(2,4,6-trihydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2013","69","2","o277","","10.1107/S1600536813001748","","","0.71073","MoKα","","0.0328","0.0303","","","0.0773","0.0796","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237438","9.7825","0.0006","10.6075","0.0006","16.8215","0.001","90","","90","","90","","1745.53","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-bac amine","<i>tert</i>-Butyl 4-(3,4-dichloroanilino)piperidine-1-carboxylate","","- C16 H22 Cl2 N2 O2 -","- C16 H22 Cl2 N2 O2 -","- C64 H88 Cl8 N8 O8 -","4","1","ZL2529","Mehr-un-Nisa; Munawar, Munawar Ali; Hall, Gabriel B.; Roberts, Sue A.; Hruby, Victor J.","<i>tert</i>-Butyl 4-(3,4-dichloroanilino)piperidine-1-carboxylate","Acta Crystallographica Section E","2013","69","2","o205","","10.1107/S1600536812051896","","","0.71073","MoKα","","0.0454","0.0339","","","0.0739","0.0786","","","","","","0.996","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237472","5.4854","0.0003","7.3498","0.0005","12.1871","0.0007","90","","90","","90","","491.34","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Methylenedihydrofuran-2,5-dione","3-Methylideneoxolane-2,5-dione","","- C5 H4 O3 -","- C5 H4 O3 -","- C20 H16 O12 -","4","1","GG2110","Beginn, Uwe; Frosinn, Martin; Reichelt, Martin; Reuter, Hans","3-Methylideneoxolane-2,5-dione","Acta Crystallographica Section E","2013","69","3","o321","","10.1107/S1600536813002924","","","0.71073","MoKα","","0.0324","0.0258","","","0.062","0.0648","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237489","5.4114","0.0002","10.7602","0.0004","15.1837","0.0005","90","","90","","90","","884.11","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2-Nitrophenylsulfinyl)acetonitrile","","- C8 H6 N2 O3 S -","- C8 H6 N2 O3 S -","- C32 H24 N8 O12 S4 -","4","1","HB7044","Benmebarek, Sabrina; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocine","2-(2-Nitrophenylsulfinyl)acetonitrile","Acta Crystallographica Section E","2013","69","3","o432","","10.1107/S1600536813004832","","","0.71073","MoKα","","0.0303","0.0269","","","0.0657","0.0695","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237491","7.232","0.0003","10.4857","0.0006","18.9398","0.001","90","","90","","90","","1436.25","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Quinolin-8-ol-κ^2^<i>N</i>,<i>O</i>)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)silver(I)","","- C18 H13 Ag N2 O2 -","- C18 H13 Ag N2 O2 -","- C72 H52 Ag4 N8 O8 -","4","1","HG5282","Jia, Zhen-Bin; Zhao, Yi; Wen, Qiu-Jia; Ma, Ai-Qing","The non-centrosymmetric polymorph of (quinolin-8-ol-κ^2^<i>N</i>,<i>O</i>)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)silver(I)","Acta Crystallographica Section E","2013","69","3","m133","","10.1107/S160053681300281X","","","0.71073","MoKα","","0.0338","0.0274","","","0.0545","0.0569","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237530","6.6562","0.0005","14.1","0.0014","60.756","0.005","90","","90","","90","","5702.1","0.9","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,7,11-Tris{4-[(1<i>R</i>,3<i>S</i>,4<i>S</i>)-neomenthyloxy]phenyl}tri[1,2,4]triazolo[4,3-<i>a</i>:4',3'-<i>c</i>:4'',3''-<i>e</i>][1,3,5]triazine‒chloroform‒ethanol (1/1/1)","","- C57 H76 Cl3 N9 O4 -","- C57 H76 Cl3 N9 O4 -","- C228 H304 Cl12 N36 O16 -","4","1","NC2304","Herget, Karoline; Schollmeyer, Dieter; Detert, Heiner","3,7,11-Tris{4-[(1<i>R</i>,3<i>S</i>,4<i>S</i>)-neomenthyloxy]phenyl}tri[1,2,4]triazolo[4,3-<i>a</i>:4',3'-<i>c</i>:4'',3''-<i>e</i>][1,3,5]triazine‒chloroform‒ethanol (1/1/1)","Acta Crystallographica Section E","2013","69","3","o365","o366","10.1107/S1600536813003498","","","0.71073","MoKα","","0.2552","0.0609","","","0.1007","0.1525","","","","","","0.783","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237531","10.8594","0.0001","13.7414","0.0002","21.1929","0.0003","90","","90","","90","","3162.48","0.07","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-<i>N</i>-[(4-{(<i>S</i>)-1-[2-(4-Methoxybenzamido)-2-methylpropanoyl]pyrrolidine-2-carboxamido}-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)carbonyl]proline dimethyl sulfoxide monosolvate","","- C30 H44 N4 O9 S -","- C30 H44 N4 O9 S -","- C120 H176 N16 O36 S4 -","4","1","NC2305","Stoykova, Svetlana A.; Linden, Anthony; Heimgartner, Heinz","(<i>S</i>)-<i>N</i>-[(4-{(<i>S</i>)-1-[2-(4-Methoxybenzamido)-2-methylpropanoyl]pyrrolidine-2-carboxamido}-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)carbonyl]proline dimethyl sulfoxide monosolvate (4-MeBz-Aib-Pro-Thp-Pro-OH)","Acta Crystallographica Section E","2013","69","3","o419","o420","10.1107/S1600536813004546","","","0.71073","MoKα","","0.0565","0.0421","","","0.0952","0.1026","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237538","9.6647","0.0013","9.7281","0.001","23.684","0.003","90","","90","","90","","2226.7","0.5","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Hydroxy-1,1'-bis[(<i>S</i>)-1-phenylethyl]-5,5',6,6'-tetrahydro-3,4'-bipyridine-2,2'(1<i>H</i>,1'<i>H</i>)-dione","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C104 H112 N8 O12 -","4","1","NR2039","Romero, Nancy; Gnecco, Dino; Terán, Joel; Bernès, Sylvain","4-Hydroxy-1,1'-bis[(<i>S</i>)-1-phenylethyl]-5,5',6,6'-tetrahydro-3,4'-bipyridine-2,2'(1<i>H</i>,1'<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","3","o408","o409","10.1107/S1600536813004017","","","0.71073","MoKα","","0.0533","0.0387","","","0.0881","0.0953","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237543","7.6372","0.001","13.7067","0.0016","17.083","0.002","90","","90","","90","","1788.3","0.4","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1β,15α-Dihydroxy-16α,17-epoxypregn-4-ene-3,20-dione","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","1","PV2620","Shen, Yan-Bing; Wang, Yi-Bo; Luo, Jian-Mei; Wang, Min","1β,15α-Dihydroxy-16α,17-epoxypregn-4-ene-3,20-dione","Acta Crystallographica Section E","2013","69","3","o447","","10.1107/S1600536813005023","","","0.71073","MoKα","","0.0568","0.0433","","","0.0711","0.0769","","","","","","0.941","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237566","5.9949","0.0002","6.4007","0.0002","18.5642","0.0006","90","","90","","90","","712.34","0.04","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propionic acid","","- C4 H2 F6 O3 -","- C4 H2 F6 O3 -","- C16 H8 F24 O12 -","4","1","TK5193","Gerber, Thomas; Betz, Richard","3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propionic acid","Acta Crystallographica Section E","2013","69","3","o335","","10.1107/S1600536813003103","","","0.71073","MoKα","","0.0301","0.0292","","","0.0748","0.076","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237572","8.19645","0.0001","11.5051","0.0002","26.4916","0.0004","90","","90","","90","","2498.18","0.07","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(8-Benzoyl-2,7-dimethoxynaphthalen-1-yl)(4-phenoxyphenyl)methanone","","- C32 H24 O5 -","- C32 H24 O5 -","- C128 H96 O20 -","4","1","VM2188","Sasagawa, Kosuke; Sakamoto, Rei; Takeuchi, Ryo; Yonezawa, Noriyuki; Okamoto, Akiko","(8-Benzoyl-2,7-dimethoxynaphthalen-1-yl)(4-phenoxyphenyl)methanone","Acta Crystallographica Section E","2013","69","3","o395","o396","10.1107/S1600536813004303","","","1.54187","CuKα","","0.0319","0.0315","","","0.085","0.0854","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237603","26.6884","0.0013","5.765","0.0003","8.7054","0.0004","90","","90","","90","","1339.4","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Boc-L-pyroglutamic acid ethyl ester","<i>N</i>-Butoxycarbonyl-5-oxo-<i>L</i>-proline ethyl ester","","- C12 H19 N O5 -","- C12 H19 N O5 -","- C48 H76 N4 O20 -","4","1","BX2436","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R.V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","<i>N</i>-Butoxycarbonyl-5-oxo-<small>L</small>-proline ethyl ester","Acta Crystallographica Section E","2013","69","4","o567","o568","10.1107/S1600536813007265","","","1.54178","CuKα","","0.0618","0.0602","","","0.1655","0.1661","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237611","4.5798","0.0007","9.5411","0.0016","29.136","0.005","90","","90","","90","","1273.1","0.4","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(pentafluorophenyl)urea","","- C13 H2 F10 N2 O -","- C13 H2 F10 N2 O -","- C52 H8 F40 N8 O4 -","4","1","FF2101","Okuno, Tsunehisa","A new polymorph of 1,3-bis(pentafluorophenyl)urea","Acta Crystallographica Section E","2013","69","4","o608","","10.1107/S1600536813007836","","","0.71075","MoKα","","","0.0312","","","","0.0802","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237614","7.16505","0.00018","15.3511","0.0004","33.3834","0.0008","90","","90","","90","","3671.89","0.16","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,5-Dimethoxy-4'-methylbiphenyl","","- C15 H16 O2 -","- C15 H16 O2 -","- C180 H192 O24 -","12","3","FJ2619","Lahtinen, Manu; Nättinen, Kalle; Nummelin, Sami","3,5-Dimethoxy-4'-methylbiphenyl","Acta Crystallographica Section E","2013","69","4","o510","o511","10.1107/S1600536813006053","","","1.5418","CuKα","","0.045","0.0387","","","0.0911","0.0941","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237615","7.9772","0.0004","12.8562","0.0007","16.1719","0.0008","90","","90","","90","","1658.53","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-2,2-Dibromo-3,7,7,10-tetramethyl-9β,10β-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane","","- C16 H24 Br2 O -","- C16 H24 Br2 O -","- C64 H96 Br8 O4 -","4","1","FJ2620","Oukhrib, Abdelouahd; Benharref, Ahmed; Saadi, Mohamed; Berraho, Moha; El Ammari, Lahcen","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-2,2-Dibromo-3,7,7,10-tetramethyl-9β,10β-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane","Acta Crystallographica Section E","2013","69","4","o521","o522","10.1107/S1600536813006077","","","0.71073","MoKα","","0.06","0.0325","","","0.0682","0.0738","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237624","6.8285","0.0002","20.1939","0.0006","22.4344","0.0006","90","","90","","90","","3093.57","0.15","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","viridiol","1β,3β-Dihydroxy-2β-methoxyfuro[4',3',2':4,5,6]-18-norandrosta-8,11,13-triene-7,17-dione","","- C20 H18 O6 -","- C20 H18 O6 -","- C160 H144 O48 -","8","2","HB7028","Andersson, Pierre F.; Broberg, Anders; Lundberg, Daniel","The furanosteroid viridiol","Acta Crystallographica Section E","2013","69","4","o467","o468","10.1107/S1600536813005606","","","0.71073","MoKα","","0.087","0.0491","","","0.081","0.0886","","","","","","0.912","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237679","5.524","0.0005","7.4735","0.0005","23.1229","0.0018","90","","90","","90","","954.6","0.13","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Carboxy(phenyl)methanaminium bromide","<i>D</i>-Phenylglycinium bromide","","- C8 H10 Br N O2 -","- C8 H10 Br N O2 -","- C32 H40 Br4 N4 O8 -","4","1","PK2465","Parthasarathy, Mohanadoss; Arun Kumar, Kannan; Gopalakrishnan, Rengasamy","<small>D</small>-Phenylglycinium bromide","Acta Crystallographica Section E","2013","69","4","o470","","10.1107/S1600536813004807","","","0.71073","MoKα","","0.0255","0.0216","","","0.045","0.046","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237691","9.064","0.002","11.417","0.003","12.311","0.003","90","","90","","90","","1274","0.5","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Cyclohexyl-3-methylbenzamidine","","- C14 H20 N2 -","- C14 H20 N2 -","- C56 H80 N8 -","4","1","RK2395","Liu, Rui-Qin; Bai, Sheng-Di; Wang, Tao","<i>N</i>-Cyclohexyl-3-methylbenzamidine","Acta Crystallographica Section E","2013","69","4","o520","","10.1107/S1600536813006272","","","0.71073","MoKα","","0.0588","0.04","","","0.0871","0.0976","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237709","9.2737","0.0005","11.6543","0.0008","18.8489","0.0014","90","","90","","90","","2037.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'<i>S</i>,12'<i>R</i>,13'<i>S</i>,17'<i>S</i>)-15',15'-Dimethyl-1,2-dihydro-11',14',16',18'-tetraoxa-7'-azaspiro[indole-3,8'-pentacyclo[10.6.0.0^2,9^.0^3,7^.0^13,17^]octadecane]-2,10'-dione","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","SU2563","Sabari, V.; Ponnusamy, R.; Prasanna, R.; Raghunathan, R.; Aravindhan, S.","(1'<i>S</i>,12'<i>R</i>,13'<i>S</i>,17'<i>S</i>)-15',15'-Dimethyl-1,2-dihydro-11',14',16',18'-tetraoxa-7'-azaspiro[indole-3,8'-pentacyclo[10.6.0.0^2,9^.0^3,7^.0^13,17^]octadecane]-2,10'-dione","Acta Crystallographica Section E","2013","69","4","o466","","10.1107/S1600536813005436","","","0.71073","MoKα","","0.0518","0.0371","","","0.0828","0.0901","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237721","8.607","0.003","13.222","0.004","13.973","0.004","90","","90","","90","","1590.2","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2-Dichloro-3,7,7,11-tetramethyl-10-azatetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","","- C16 H25 Cl2 N -","- C16 H25 Cl2 N -","- C64 H100 Cl8 N4 -","4","1","TK5210","Oukhrib, Abdelouahd; Benharref, Ahmed; Saadi, Mohamed; Berraho, Moha; El Ammari, Lahcen","2,2-Dichloro-3,7,7,11-tetramethyl-10-azatetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","Acta Crystallographica Section E","2013","69","4","o589","o590","10.1107/S1600536813007642","","","0.71073","MoKα","","0.0536","0.0485","","","0.1384","0.1437","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237723","7.203","0.0002","8.3341","0.0003","19.5436","0.0006","90","","90","","90","","1173.21","0.06","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Methoxyanilinium trichloridostannate(II)","","- C7 H10 Cl3 N O Sn -","- C7 H10 Cl3 N O Sn -","- C28 H40 Cl12 N4 O4 Sn4 -","4","1","VN2066","Karoui, Sahel; Kamoun, Slaheddine; Michaud, François","2-Methoxyanilinium trichloridostannate(II)","Acta Crystallographica Section E","2013","69","4","m187","m188","10.1107/S1600536813005096","","","0.71073","MoKα","","0.0287","0.0262","","","0.0636","0.0643","","","","","","1.143","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237765","5.6355","0.0004","8.1597","0.0005","36.794","0.002","90","","90","","90","","1691.93","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(<i>E</i>)-Anthracen-9-ylmethylidene]-2-(2,4-dinitrophenyl)hydrazine","","- C21 H14 N4 O4 -","- C21 H14 N4 O4 -","- C84 H56 N16 O16 -","4","1","BT6891","A. e Silva, Joana de; Yuste-Vivas, Consuelo; Sobral, Abilio J. F. N.; Silva, Manuela Ramos","1-[(<i>E</i>)-Anthracen-9-ylmethylidene]-2-(2,4-dinitrophenyl)hydrazine","Acta Crystallographica Section E","2013","69","5","o705","","10.1107/S1600536813009197","","","0.71073","MoKα","","0.2255","0.0738","","","0.1633","0.2422","","","","","","0.879","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237800","5.4696","0.0004","13.7164","0.001","16.3117","0.0011","90","","90","","90","","1223.76","0.15","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1,5-Diphenylpent-2-en-4-yn-1-one","","- C17 H12 O -","- C17 H12 O -","- C68 H48 O4 -","4","1","CV5408","Bunev, Alexander S.; Statsyuk, Vladimir E.; Utekhina, Nina V.; Khrustalev, Victor N.","(<i>E</i>)-1,5-Diphenylpent-2-en-4-yn-1-one","Acta Crystallographica Section E","2013","69","6","o911","","10.1107/S1600536813013044","","","0.71073","MoKα","","0.0731","0.0573","","","0.1015","0.1069","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237816","8.5444","0.0003","10.9406","0.0004","37.8017","0.0015","90","","90","","90","","3533.7","0.2","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Metacridamide B","(3<i>S</i>,6<i>E</i>,8<i>S</i>,9<i>R</i>,10<i>E</i>,12<i>S</i>,13<i>S</i>,14<i>E</i>,16<i>S</i>,17<i>R</i>)-3-Benzyl-9,13-dihydroxy-6,8,10,12,14,16- hexamethyl-17-[(2<i>S</i>,4<i>S</i>)-4-methylhexan-2-yl]-1-oxa-4-azacycloheptadeca-6,10,14-triene-2,5-dione methanol-<i>d</i>~4~ monosolvate","","- C36 H57 N O6 -","- C36 H57 N O6 -","- C144 H228 N4 O24 -","4","1","FJ2623","Englich, Ulrich; Krasnoff, Stuart B.","Metacridamide B methanol-<i>d</i>~4~ monosolvate","Acta Crystallographica Section E","2013","69","5","o742","","10.1107/S1600536813009641","","","1.54178","CuKα","","0.0433","0.0426","","","0.1137","0.1147","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237834","4.7573","0.0001","11.1432","0.0003","19.3311","0.0005","90","","90","","90","","1024.77","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-Cyano-<i>N</i>-(1-phenylethyl)acetamide","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","GK2561","Kumar, Mohan; Madhukar, B. S.; Sridhar, M. A.; Bhadregowda, D. G.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","(<i>R</i>)-2-Cyano-<i>N</i>-(1-phenylethyl)acetamide","Acta Crystallographica Section E","2013","69","5","o653","","10.1107/S1600536813008131","","","0.71073","MoKα","","0.037","0.0326","","","0.0767","0.0791","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237844","5.2892","0.0008","10.7213","0.0016","19.559","0.003","90","","90","","90","","1109.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>S</i>,5<i>S</i>)-2-Methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","GO2087","Rivadulla, Marcos L.; Fall, Alioune; González, María; Matos, Maria J.","(1<i>S</i>,2<i>S</i>,5<i>S</i>)-2-Methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile","Acta Crystallographica Section E","2013","69","5","o799","","10.1107/S1600536813011197","","","0.71073","MoKα","","0.065","0.0523","","","0.1485","0.1641","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237861","7.1683","0.0008","10.6621","0.0011","23.592","0.003","90","","90","","90","","1803.1","0.4","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","5-(Adamantan-1-yl)-3-[(4-fluoroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione","","- C19 H22 F N3 O S -","- C19 H22 F N3 O S -","- C76 H88 F4 N12 O4 S4 -","4","1","HB7069","Al-Tamimi, Abdul-Malek S.; Alafeefy, Ahmed M.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","5-(Adamantan-1-yl)-3-[(4-fluoroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione","Acta Crystallographica Section E","2013","69","5","o730","","10.1107/S1600536813009823","","","0.71073","MoKα","","0.1182","0.0625","","","0.1283","0.1583","","","","","","0.983","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237880","4.9136","0.0003","6.0218","0.0004","42.514","0.002","90","","90","","90","","1257.93","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-(4-Bromophenyl)-<i>N</i>-(3,4-difluorophenyl)acetamide","","- C14 H10 Br F2 N O -","- C14 H10 Br F2 N O -","- C56 H40 Br4 F8 N4 O4 -","4","1","HG5313","Praveen, A.S.; Yathirajan, H. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Narayana, B.; Sarojini, B. K.","2-(4-Bromophenyl)-<i>N</i>-(3,4-difluorophenyl)acetamide","Acta Crystallographica Section E","2013","69","6","o900","o901","10.1107/S1600536813012865","","","1.54184","CuKα","","0.0416","0.0408","","","0.1052","0.1056","","","","","","1.154","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237898","7.611","0.0002","10.7375","0.0003","29.499","0.0007","90","","90","","90","","2410.75","0.11","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethoxy-10-oxostrychnidinium hydrogen oxalate dihydrate","","- C25 H32 N2 O10 -","- C25 H32 N2 O10 -","- C100 H128 N8 O40 -","4","1","IS5247","Krishnan, P.; Gayathri, K.; Sivakumar, N.; Chakkaravarthi, G.; Anbalagan, G.","2,3-Dimethoxy-10-oxostrychnidinium hydrogen oxalate dihydrate","Acta Crystallographica Section E","2013","69","5","o659","","10.1107/S1600536813008623","","","0.71073","MoKα","","0.0463","0.0423","","","0.1129","0.1163","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237900","5.391","0.005","11.742","0.01","19.975","0.016","90","","90","","90","","1264.4","1.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-{2-[(2<i>R</i>)-2-Amino-4-methylpentanamido]acetamido}acetic acid","<i>L</i>-Leucylglycylglycine","","- C10 H19 N3 O4 -","- C10 H19 N3 O4 -","- C40 H76 N12 O16 -","4","1","IS5257","Ootaki, Masanori; Nawa, Yukino; Hiroi, Tomoko; Matsui, Hiroaki; Sugawara, Yoko","<small>L</small>-Leucylglycylglycine","Acta Crystallographica Section E","2013","69","5","o660","","10.1107/S1600536813008490","","","0.7107","MoKα","","0.0528","0.0381","","","0.0781","0.0866","","","","","","0.961","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237926","10.242","0.002","28.556","0.005","30.214","0.006","90","","90","","90","","8837","3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,6β-Diacetoxy-5,9α-dihydroxy-5α-cholest-7-en-11-one acetic acid 0.04-solvate","","- C31.09 H48.18 O7.09 -","- C31.0873 H48.131 O7.08733 -","- C373.048 H577.572 O85.048 -","12","3","KP2452","Piccialli, Vincenzo; Oliviero, Giorgia; Borbone, Nicola; Centore, Roberto; Tuzi, Angela","3β,6β-Diacetoxy-5,9α-dihydroxy-5α-cholest-7-en-11-one acetic acid 0.04-solvate","Acta Crystallographica Section E","2013","69","6","o879","o880","10.1107/S1600536813012646","","","0.71073","MoKα","","0.1225","0.0627","","","0.155","0.185","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237942","9.4447","0.0003","19.1818","0.0006","28.1141","0.0007","90","","90","","90","","5093.3","0.3","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Betulone","Lup-20(29)-en-28-ol-3-one","","- C30 H48 O2 -","- C30 H48 O2 -","- C240 H384 O16 -","8","2","LH5603","Boryczka, Stanisław; Michalik, Ewa; Kusz, Joachim; Nowak, Maria; Chrobak, Elwira","Lup-20(29)-en-28-ol-3-one (betulone)","Acta Crystallographica Section E","2013","69","5","o795","o796","10.1107/S1600536813011008","","","0.71073","MoKα","","0.0586","0.051","","","0.1371","0.1406","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237953","7.095","0.016","15.14","0.04","17.86","0.05","90","","90","","90","","1918","9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methoxy-1-(2-methoxy-4-nitronaphthalen-1-yl)-6-nitronaphthalene","","- C22 H16 N2 O6 -","- C22 H16 N2 O6 -","- C88 H64 N8 O24 -","4","1","LR2099","Wannalerse, Boontana; Pannil, Wilasinee; Loriang, Jaruwan; Tuntulani, Thawatchai; Duangthongyou, Tanwawan","2-Methoxy-1-(2-methoxy-4-nitronaphthalen-1-yl)-6-nitronaphthalene","Acta Crystallographica Section E","2013","69","5","o682","","10.1107/S1600536813008660","","","0.71073","MoKα","","0.0537","0.0345","","","0.0801","0.0901","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237969","9.1342","0.0006","9.2874","0.0006","27.0454","0.0014","90","","90","","90","","2294.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,5-Dimethyl-1-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}-2,6-diphenylpiperidin-4-one","","- C24 H25 N3 O2 S2 -","- C24 H25 N3 O2 S2 -","- C96 H100 N12 O8 S8 -","4","1","NG5326","Ganesan, S.; Sugumar, P.; Ananthan, S.; Ponnuswamy, M. N.","3,5-Dimethyl-1-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2013","69","6","o845","","10.1107/S1600536813012014","","","0.71073","MoKα","","0.0495","0.0396","","","0.0927","0.0975","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237970","10.3301","0.0002","10.5415","0.0002","15.216","0.0003","90","","90","","90","","1656.94","0.06","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2',5',6-Tetrachloro-4-[(1<i>S</i>)-1-methylpropoxy]biphenyl","","- C16 H14 Cl4 O -","- C16 H14 Cl4 O -","- C64 H56 Cl16 O4 -","4","1","NG5329","Lehmler, Hans-Joachim; Wu, Huimin; Parkin, Sean","2,2',5',6-Tetrachloro-4-[(1<i>S</i>)-1-methylpropoxy]biphenyl","Acta Crystallographica Section E","2013","69","6","o983","","10.1107/S1600536813014098","","","0.71073","MoKα","","0.0435","0.0336","","","0.0763","0.0813","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238027","4.8935","0.0005","5.8995","0.0006","42.572","0.004","90","","90","","90","","1229","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-(4-Chlorophenyl)-<i>N</i>-(3,4-difluorophenyl)acetamide","","- C14 H10 Cl F2 N O -","- C14 H10 Cl F2 N O -","- C56 H40 Cl4 F8 N4 O4 -","4","1","SJ5323","Praveen, A. S.; Yathirajan, H. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Narayana, B.; Sarojini, B. K.","2-(4-Chlorophenyl)-<i>N</i>-(3,4-difluorophenyl)acetamide","Acta Crystallographica Section E","2013","69","6","o996","o997","10.1107/S1600536813014165","","","1.5418","CuKα","","0.0444","0.0423","","","0.11","0.1109","","","","","","1.144","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238041","5.27","0.0002","7.3691","0.0003","38.2042","0.0014","90","","90","","90","","1483.67","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>L</i>-Histidinium <i>p</i>-toluenesulfonate","","- C13 H17 N3 O5 S -","- C13 H17 N3 O5 S -","- C52 H68 N12 O20 S4 -","4","1","SU2589","Muralidharan, Srinivasan; Nagapandiselvi, Perumal; Srinivasan, Thothadri; Gopalakrishnan, Rengasamy; Velmurugan, Devadasan","<small>L</small>-Histidinium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2013","69","5","o804","","10.1107/S1600536813011161","","","0.71073","MoKα","","0.0394","0.0382","","","0.0934","0.094","","","","","","1.195","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238070","8.0442","0.0008","11.9167","0.0009","12.6799","0.001","90","","90","","90","","1215.5","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Potassium tetrakis(dioxomolybdenum) arsenate trioxide","","- As K Mo4 O15 -","- As K Mo4 O15 -","- As4 K4 Mo16 O60 -","4","1","VN2070","Jouini, Raja; Zid, Mohamed Faouzi; Driss, Ahmed","K(MoO~2~)~4~O~3~(AsO~4~)","Acta Crystallographica Section E","2013","69","6","i37","","10.1107/S1600536813013664","","","0.71073","MoKα","","0.0181","0.0177","","","0.045","0.0452","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238082","10.6222","0.0008","18.469","0.0014","24.5375","0.0018","90","","90","","90","","4813.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,9,15,34-Tetra-<i>tert</i>-butyl-19,29-dioxa-24-thiahexacyclo[15.13.7.1^7,11^.1^32,36^.0^5,30^.0^13,18^]nonatriaconta-1(30),2,4,7,9,11(39),13,15,17,32,34,36(38)-dodecaene-38,39-diol","","- C52 H70 O4 S -","- C52 H70 O4 S -","- C208 H280 O16 S4 -","4","1","XU5679","Xie, De-Xun; An, De-Lie","5,11,17,23-Tetrakis(1,1-dimethylethyl)-26,28-dihydroxycalix[4]arene-25,27-monothiacrown-3","Acta Crystallographica Section E","2013","69","5","o690","","10.1107/S1600536813008684","","","0.71073","MoKα","","0.1008","0.066","","","0.1713","0.1914","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238117","9.45","0.0007","12.8824","0.0009","27.295","0.003","90","","90","","90","","3322.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Acetylamino-1,3,4,6-tetra-<i>O</i>-(trimethylsilyl)-2-deoxy-α-<i>D</i>-glucopyranose","","- C20 H47 N O6 Si4 -","- C20 H47 N O6 Si4 -","- C80 H188 N4 O24 Si16 -","4","1","ZQ2199","Cheng, Zhao-Dong; Cui, Yan-Li; Mao, Jian-Wei","2-Acetylamino-1,3,4,6-tetra-<i>O</i>-(trimethylsilyl)-2-deoxy-α-<small>D</small>-glucopyranose","Acta Crystallographica Section E","2013","69","6","o917","","10.1107/S160053681301266X","","","0.71073","MoKα","","0.1004","0.0551","","","0.1284","0.1494","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238149","9.5405","0.0002","10.943","0.0009","19.2901","0.0006","90","","90","","90","","2013.92","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methyl-1,1-diphenyl-2-[(4<i>S</i>)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","FB2285","Jia, Wen-Xiao; Hu, Yu-Lai; Huang, Dang-Feng; Niu, Teng; Ma, Yan-Jun","2-Methyl-1,1-diphenyl-2-[(4<i>S</i>)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol","Acta Crystallographica Section E","2013","69","7","o1022","","10.1107/S1600536813014670","","","0.71073","MoKα","","0.0551","0.0454","","","0.0957","0.1018","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238159","9.5037","0.0006","12.4162","0.001","24.8982","0.0018","90","","90","","90","","2938","0.4","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>*,6<i>R</i>*,4'<i>S</i>*,8'<i>R</i>*,3''<i>R</i>*,6''<i>R</i>*)-3,3''-Diisopropyl-6,6''-dimethyl-2',6'-diphenyldispiro[cyclohexane-1,4'-(3,7-dioxa-2,6-diazabicyclo[3.3.0]octane)-8',1''-cyclohexane]-2,2''-dione","","- C34 H44 N2 O4 -","- C34 H44 N2 O4 -","- C136 H176 N8 O16 -","4","1","FY2097","Ansari, Abdeslam; Majidi, Lhou; Fihi, Rachid; Daran, Jean-Claude; Azrour, Mohamed","(3<i>R</i>*,6<i>R</i>*,4'<i>S</i>*,8'<i>R</i>*,3''<i>R</i>*,6''<i>R</i>*)-3,3''-Diisopropyl-6,6''-dimethyl-2',6'-diphenyldispiro[cyclohexane-1,4'-(3,7-dioxa-2,6-diazabicyclo[3.3.0]octane)-8',1''-cyclohexane]-2,2''-dione","Acta Crystallographica Section E","2013","69","7","o1162","o1163","10.1107/S1600536813017054","","","0.71073","MoKα","","0.0862","0.0446","","","0.0714","0.0796","","","","","","0.865","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238171","8.4925","0.0002","13.0302","0.0004","14.1381","0.0009","90","","90","","90","","1564.51","0.12","293.69","0.1","293.69","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","8β-Ethoxyeremophil-3,7(11)-diene-8α,12;6α,15-diolide","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","HB7083","Fei, Dong-Qing; Dong, Le-Le; Li, Hui-Hong; Zhang, Zhan-Xin","8β-Ethoxyeremophil-3,7(11)-diene-8α,12;6α,15-diolide","Acta Crystallographica Section E","2013","69","7","o1087","","10.1107/S1600536813015729","","","1.5418","CuKα","","0.0383","0.0368","","","0.1004","0.1025","","","","","","1.03","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238190","7.8896","0.0013","10.9493","0.0017","30.683","0.005","90","","90","","90","","2650.6","0.7","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 3-[(chloromethoxy)carbonyloxy]-7-hydroxycholan-24-oate","","- C27 H43 Cl O6 -","- C27 H43 Cl O6 -","- C108 H172 Cl4 O24 -","4","1","IM2434","Zhong, Jia-Liang; Sun, Wen-Xia; Zhang, Fu-Li; Liu, Li-Hong; Liu, He","Methyl 3-[(chloromethoxy)carbonyloxy]-7-hydroxycholan-24-oate","Acta Crystallographica Section E","2013","69","7","o1186","","10.1107/S160053681301725X","","","0.71073","MoKα","","0.1066","0.0504","","","0.0987","0.1181","","","","","","0.942","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238192","7.0138","0.0005","16.09","0.001","16.49","0.002","90","","90","","90","","1860.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Vincanine ethanol monosolvate","(-)-Norfluorocurarine ethanol monosolvate","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","1","IS5277","Adizov, Shahobiddin M.; Ashurov, Jamshid; Karimov, Zokir; Yuldashev, Pattax Kh.; Tashkhodjaev, Bakhodir","({-})-Norfluorocurarine ethanol monosolvate","Acta Crystallographica Section E","2013","69","7","o1100","","10.1107/S1600536813015365","","","1.54184","CuKα","","0.07","0.0511","","","0.1298","0.1415","","","","","","0.99","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238223","11.9292","0.0003","15.2505","0.0005","18.1222","0.0005","90","","90","","90","","3296.9","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Theobrominium perchlorate dibenzo-18-crown-6 3.25-hydrate","3,7-Dimethyl-2,6-dioxo-1<i>H</i>-purin-9-ium perchlorate dibenzo-18-crown-6 3.25-hydrate","","- C27 H40 Cl N4 O15.25 -","- C27 H39.5 Cl N4 O15.25 -","- C108 H158 Cl4 N16 O61 -","4","1","NC2312","Kulikov, Vladislav; Meyer, Gerd","Theobrominium perchlorate dibenzo-18-crown-6 3.25-hydrate","Acta Crystallographica Section E","2013","69","7","o1027","","10.1107/S1600536813014463","","","0.71073","MoKα","","0.0658","0.0491","","","0.1387","0.1563","","","","","","1.042","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2238227","3.8466","0.0003","7.4052","0.0007","30.577","0.003","90","","90","","90","","870.98","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-Formyltetrathiafulvalene","2-(1,3-Dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde","","- C7 H4 O S4 -","- C7 H4 O S4 -","- C28 H16 O4 S16 -","4","1","PK2488","Zeller, Matthias; Azov, Vladimir A.","2-(1,3-Dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde","Acta Crystallographica Section E","2013","69","7","o1157","","10.1107/S160053681301711X","","","0.71073","MoKα","","0.0245","0.0237","","","0.0565","0.0573","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238247","6.4135","0.0003","11.4099","0.0006","27.8249","0.0014","90","","90","","90","","2036.15","0.18","120","0.1","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>meso</i>-4,4'-Dimethoxy-2,2'-{[(3a<i>R</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-benzimidazole-1,3-diyl]bis(methylene)}diphenol","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C92 H120 N8 O16 -","4","1","SJ5324","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Kučeraková, Monika; Dušek, Michal","<i>meso</i>-4,4'-Dimethoxy-2,2'-{[(3a<i>R</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-benzimidazole-1,3-diyl]bis(methylene)}diphenol","Acta Crystallographica Section E","2013","69","7","o1057","o1058","10.1107/S1600536813015092","","","1.5418","CuKα","","0.0358","0.0306","","","0.075","0.0796","","","","","","1.13","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238258","13.298","0.003","13.608","0.004","14.356","0.003","90","","90","","90","","2597.9","1.1","194","2","194","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-[(1<i>R</i>,2<i>R</i>,4<i>R</i>)-2-Methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-1<i>H</i>-tetrazole","","- C12 H20 N4 O -","- C12 H20 N4 O -","- C96 H160 N32 O8 -","8","2","SU2603","Bats, Jan W.; Schell, Peter; Engels, Joachim W.","5-[(1<i>R</i>,2<i>R</i>,4<i>R</i>)-2-Methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2013","69","7","o1028","","10.1107/S1600536813014700","","","0.71073","MoKα","","0.1135","0.069","","","0.124","0.138","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238294","9.4741","0.0002","15.95","0.0006","17.9102","0.0008","90","","90","","90","","2706.44","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-[4-(Carbazol-9-yl)phenyl]-1,3-diethyl-1,3-diphenylguanidine","","- C35 H32 N4 -","- C35 H32 N4 -","- C140 H128 N16 -","4","1","ZL2551","Tiritiris, Ioannis; Kantlehner, Willi","2-[4-(Carbazol-9-yl)phenyl]-1,3-diethyl-1,3-diphenylguanidine","Acta Crystallographica Section E","2013","69","7","o1066","","10.1107/S1600536813014517","","","0.71073","MoKα","","0.0504","0.0384","","","0.0809","0.0857","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238309","10.5625","0.0005","13.6374","0.0008","14.4927","0.0008","90","","90","","90","","2087.6","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(Naphthalen-1-yl){2-[(5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]phenyl}methanone","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","1","BG2509","Kanchanadevi, J.; Anbalagan, G.; Sivasakthikumaran, R.; Mohanakrishnan, A. K.; Gunasekaran, B.; Manivannan, V.","(Naphthalen-1-yl){2-[(5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]phenyl}methanone","Acta Crystallographica Section E","2013","69","8","o1201","","10.1107/S1600536813018035","","","0.71073","MoKα","","0.0714","0.0422","","","0.0876","0.0998","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238310","6.6471","0.0008","14.1216","0.0018","17.285","0.002","90","","90","","90","","1622.5","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(2,6-Diisopropylphenyl)-1<i>H</i>-benzimidazole","","- C19 H22 N2 -","- C19 H22 N2 -","- C76 H88 N8 -","4","1","BG2510","Lai, Sha; Chen, Yong; Li, Yan; Shen, Yonggang; Wu, Hongwei","1-(2,6-Diisopropylphenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2013","69","8","o1330","","10.1107/S1600536813020473","","","0.71073","MoKα","","0.0422","0.0349","","","0.0835","0.0879","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238322","5.8796","0.0002","12.7822","0.0004","19.1496","0.0007","90","","90","","90","","1439.17","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>S</i>,8<i>R</i>,10<i>R</i>,11<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-ol","","- C16 H28 O -","- C16 H28 O -","- C64 H112 O4 -","4","1","BT6923","Benharref, Ahmed; El karroumi, Jamal; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(1<i>S</i>,3<i>S</i>,8<i>R</i>,10<i>R</i>,11<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-ol","Acta Crystallographica Section E","2013","69","8","o1350","","10.1107/S1600536813020576","","","0.71073","MoKα","","0.0462","0.0382","","","0.0963","0.1019","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238330","7.4332","0.0007","9.1093","0.0008","20.1946","0.0019","90","","90","","90","","1367.4","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>-Diethyl-4-[(<i>E</i>)-(pyridin-3-yl)diazenyl]aniline","","- C15 H18 N4 -","- C15 H18 N4 -","- C60 H72 N16 -","4","1","CV5422","Draguta, Sergiu; Leonova, Evgeniya; Fokina, Maria; Denisyuk, Igor; Timofeeva, Tatiana V.","<i>N</i>,<i>N</i>-Diethyl-4-[(<i>E</i>)-(pyridin-3-yl)diazenyl]aniline","Acta Crystallographica Section E","2013","69","8","o1280","","10.1107/S1600536813019545","","","0.71073","MoKα","","0.0477","0.0458","","","0.1109","0.1129","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238332","6.4565","0.0011","17.625","0.003","27.997","0.004","90","","90","","90","","3185.9","0.9","200","2","200.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isotenulin","","","- C17 H22 O5 -","- C17 H22 O5 -","- C136 H176 O40 -","8","2","CV5424","Knight, Kyle S.; Smith, Cole T.; Waddell, Thomas G.","Isotenulin","Acta Crystallographica Section E","2013","69","8","o1290","","10.1107/S1600536813019703","","","0.71073","MoKα","","0.0528","0.0428","","","0.0958","0.1002","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238342","6.6799","0.0007","7.3713","0.0009","32.9075","0.0014","90","","90","","90","","1620.4","0.3","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>S</i>)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5<i>H</i>)-one","","- C16 H16 Br N O4 -","- C16 H16 Br N O4 -","- C64 H64 Br4 N4 O16 -","4","1","FY2101","Wang, Yifeng; Yao, Minjie; Dong, Kun; Xu, Danqian","(2<i>S</i>,3<i>S</i>)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5<i>H</i>)-one","Acta Crystallographica Section E","2013","69","8","o1270","","10.1107/S160053681301920X","","","0.71073","MoKα","","0.0949","0.0509","","","0.0888","0.1075","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238352","10.4777","0.0001","12.4283","0.0002","13.155","0.0002","90","","90","","90","","1713.04","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-<i>tert</i>-Butoxycarbonyl-α-(2-fluorobenzyl)-<i>L</i>-proline","","- C17 H22 F N O4 -","- C17 H22 F N O4 -","- C68 H88 F4 N4 O16 -","4","1","GK2586","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","<i>N</i>-<i>tert</i>-Butoxycarbonyl-α-(2-fluorobenzyl)-<small>L</small>-proline","Acta Crystallographica Section E","2013","69","8","o1297","","10.1107/S1600536813019788","","","0.71073","MoKα","","0.0717","0.0502","","","0.1036","0.1138","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238377","3.9904","0.0011","15.689","0.004","24.58","0.007","90","","90","","90","","1538.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(E)-1-((2,4,6-tribromophenyl)diazenyl)naphthalen-2-ol.","(<i>E</i>)-1-[(2,4,6-Tribromophenyl)diazenyl]naphthalen-2-ol","","- C16 H9 Br3 N2 O -","- C16 H9 Br3 N2 O -","- C64 H36 Br12 N8 O4 -","4","1","IS5290","Chetioui, Souheyla; Boudraa, Issam; Bouacida, Sofiane; Bouchoul, Abdelkader; Bouaoud, Salah Eddine","(<i>E</i>)-1-[(2,4,6-Tribromophenyl)diazenyl]naphthalen-2-ol","Acta Crystallographica Section E","2013","69","8","o1250","","10.1107/S1600536813018977","","","0.71073","MoKα","","0.0568","0.0338","","","0.0609","0.0663","","","","","","0.962","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238392","6.1457","0.0001","8.2466","0.0002","27.4454","0.0007","90","","90","","90","","1390.96","0.05","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,3<i>S</i>,8<i>R</i>,11<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol","","- C16 H26 O -","- C16 H26 O -","- C64 H104 O4 -","4","1","LH5626","Abdoullah, Bimoussa; Aziz, Auhmani; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani","Absolute configuration of (1<i>R</i>,3<i>S</i>,8<i>R</i>,11<i>R</i>)-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol","Acta Crystallographica Section E","2013","69","8","o1308","o1309","10.1107/S1600536813018497","","","1.5418","CuKα","","0.0386","0.0367","","","0.0956","0.0978","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238397","4.0185","0.0002","14.6418","0.0008","18.8276","0.0011","90","","90","","90","","1107.78","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","5-Bromoisatin-3-thiosemicarbazone","1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone","","- C9 H7 Br N4 O S -","- C9 H7 Br N4 O S -","- C36 H28 Br4 N16 O4 S4 -","4","1","LR2109","Bandeira, Katlen C. T.; Bresolin, Leandro; Näther, Christian; Jess, Inke; Oliveira, Adriano B.","1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone","Acta Crystallographica Section E","2013","69","8","o1251","o1252","10.1107/S1600536813018564","","","0.71073","MoKα","","0.0491","0.0394","","","0.0861","0.091","","","","","","1.022","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238400","9.253","0.002","13.179","0.003","13.36","0.003","90","","90","","90","","1629.2","0.6","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-[1-(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-2-oxopropyl]-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C60 H72 N16 O28 -","4","1","MW2109","Sweidan, Kamal; Steimann, Manfred","5-[1-(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-2-oxopropyl]-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","Acta Crystallographica Section E","2013","69","8","o1334","","10.1107/S1600536813020138","","","0.71073","MoKα","","0.0949","0.0434","","","0.0831","0.0988","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238411","7.2162","0.0008","7.3372","0.0008","25.9727","0.0013","90","","90","","90","","1375.2","0.2","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>)-3-(2-Bromophenyl)-2-nitro-2,3,6,7-tetrahydro-1-benzofuran-4(5<i>H</i>)-one","","- C14 H12 Br N O4 -","- C14 H12 Br N O4 -","- C56 H48 Br4 N4 O16 -","4","1","PK2489","Wang, Yifeng; Lou, Liuliu; Dong, Kun; Xu, Danqian","(2<i>S</i>,3<i>R</i>)-3-(2-Bromophenyl)-2-nitro-2,3,6,7-tetrahydro-1-benzofuran-4(5<i>H</i>)-one","Acta Crystallographica Section E","2013","69","8","o1197","","10.1107/S1600536813017698","","","0.71073","MoKα","","0.1106","0.0589","","","0.1093","0.1248","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238427","10.162","0.003","13.831","0.005","16.35","0.004","90","","90","","90","","2298","1.2","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrakis(pyridine-κ<i>N</i>)bis(tetrafluoridoborato-κ<i>F</i>)copper(II)","","- C20 H20 B2 Cu F8 N4 -","- C20 H20 B2 Cu F8 N4 -","- C80 H80 B8 Cu4 F32 N16 -","4","1","SJ5342","De Silva, Nirosha; Pannu, Ajay Pal Singh; Plieger, Paul G.","Tetrakis(pyridine-κ<i>N</i>)bis(tetrafluoridoborato-κ<i>F</i>)copper(II)","Acta Crystallographica Section E","2013","69","8","m450","m451","10.1107/S1600536813018643","","","1.54178","CuKα","","0.0727","0.0493","","","","0.1165","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238432","6.9461","0.0006","15.5688","0.0011","16.5572","0.0011","90","","90","","90","","1790.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Allyl 2-(2,2-dimethyl-3a,6a-dihydrofuro[3,2-<i>d</i>][1,3]dioxol-5-yl)-4-oxo-4<i>H</i>-chromene-3-carboxylate","","- C20 H18 O7 -","- C20 H18 O7 -","- C80 H72 O28 -","4","1","SU2620","Fatima, Zeenat; Srinivasan, Thothadri; Rao, Jonnalagadda Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Allyl 2-(2,2-dimethyl-3a,6a-dihydrofuro[3,2-<i>d</i>][1,3]dioxol-5-yl)-4-oxo-4<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2013","69","8","o1257","o1258","10.1107/S1600536813018904","","","0.71073","MoKα","","0.0867","0.0449","","","0.1066","0.1272","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238433","6.8875","0.0003","15.4958","0.0006","15.9035","0.0006","90","","90","","90","","1697.34","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(2,2-dimethyl-3a,6a-dihydrofuro[3,2-<i>d</i>][1,3]dioxol-5-yl)-4-oxo-4<i>H</i>-chromene-3-carboxylate","","- C18 H16 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","SU2622","Fatima, Zeenat; Srinivasan, Thothadri; Rao, Jonnalagadda Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Methyl 2-(2,2-dimethyl-3a,6a-dihydrofuro[3,2-<i>d</i>][1,3]dioxol-5-yl)-4-oxo-4<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2013","69","8","o1310","","10.1107/S1600536813019648","","","0.71073","MoKα","","0.0627","0.0412","","","0.0976","0.1083","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238440","8.2594","0.0007","13.0352","0.0011","16.6241","0.0013","90","","90","","90","","1789.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-11-Bromo-10-bromomethyl-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H22 Br2 Cl2 -","- C16 H22 Br2 Cl2 -","- C64 H88 Br8 Cl8 -","4","1","TK5241","Benharref, Ahmed; El karroumi, Jamal; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-11-Bromo-10-bromomethyl-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","Acta Crystallographica Section E","2013","69","8","o1283","","10.1107/S1600536813019697","","","0.71073","MoKα","","0.0467","0.0383","","","0.0978","0.1023","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238455","7.6629","0.001","11.8442","0.0014","14.342","0.002","90","","90","","90","","1301.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(<i>E</i>)-(5-Chloro-2-methylphenyl)iminomethyl]-4-methylphenol","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","XU5720","Zheng, Yun-Fa","2-[(<i>E</i>)-(5-Chloro-2-methylphenyl)iminomethyl]-4-methylphenol","Acta Crystallographica Section E","2013","69","8","o1349","","10.1107/S1600536813019454","","","0.71073","MoKα","","0.068","0.0413","","","0.0871","0.1001","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238468","6.719","0.001","8.169","0.002","34.12","0.005","90","","90","","90","","1872.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (20α)-16,17-didehydro-19α-methyl-18-oxayohimban-16-carboxylate","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","BQ2388","Cachet, Xavier; Porée, François-Hugues; Michel, Sylvie; Lemoine, Pascale","Tetrahydroalstonine","Acta Crystallographica Section E","2013","69","9","o1389","o1390","10.1107/S1600536813021168","","","0.71069","MoKα","","0.0638","0.0436","","","0.1009","0.1142","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238474","5.6423","0.0003","8.0808","0.0004","36.3864","0.0019","90","","90","","90","","1659.01","0.15","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(<i>S</i>)-<i>N</i>-[(1-Benzothiophen-2-yl)methylidene]-1-(naphthalen-1-yl)ethylamine","","- C21 H17 N S -","- C21 H17 N S -","- C84 H68 N4 S4 -","4","1","BT6929","Hernández-Téllez, Guadalupe; Portillo-Moreno, Oscar; Gutiérrez, René; Rios-Merino, Francisco J.; Mendoza, Angel","(+)-(<i>S</i>)-<i>N</i>-[(1-Benzothiophen-2-yl)methylidene]-1-(naphthalen-1-yl)ethylamine","Acta Crystallographica Section E","2013","69","9","o1480","","10.1107/S1600536813023611","","","1.54184","CuKα","","0.0506","0.0397","","","","0.0919","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238489","8.5905","0.0003","8.7215","0.0003","20.7373","0.0007","90","","90","","90","","1553.68","0.09","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Cyclopropyl-1-(6'-Deoxy-1',2'-<i>O</i>-isopropylidene-α-<i>D</i>-glucofuranosyl)-1<i>H</i>-1,2,3-triazole","","- C14 H21 N3 O5 -","- C14 H21 N3 O5 -","- C56 H84 N12 O20 -","4","1","HB7111","Zhang, Qiurong; He, Peng; Zhou, Guangqiang; Yu, Kang; Liu, Hongmin","4-Cyclopropyl-1-(6'-deoxy-1',2'-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranosyl)-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2013","69","9","o1386","","10.1107/S1600536813021351","","","1.54178","CuKα","","0.0467","0.0415","","","0.1076","0.1127","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238499","6.1347","0.0005","7.1124","0.0003","19.8245","0.0013","90","","90","","90","","864.99","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-3-(4-Bromo-5-methylthiophen-2-yl)acrylonitrile","","- C8 H6 Br N S -","- C8 H6 Br N S -","- C32 H24 Br4 N4 S4 -","4","1","HG5330","El-Hiti, Gamal A.; Smith, Keith; Balakit, Asim A.; Masmali, Ali; Kariuki, Benson M.","(<i>E</i>)-3-(4-Bromo-5-methylthiophen-2-yl)acrylonitrile","Acta Crystallographica Section E","2013","69","9","o1385","","10.1107/S1600536813019752","","","0.71073","MoKα","","0.0526","0.0476","","","0.1157","0.1204","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238512","6.0108","0.0005","7.3394","0.0005","31.674","0.002","90","","90","","90","","1397.32","0.17","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-Bis(2-hydroxy-5-methylbenzylidene)hydrazine","2-{[2-(2-Hydroxy-5-methylbenzylidene)hydrazin-1-ylidene]methyl}-4-methylphenol","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","IS5296","Saravanan, B.; Jayamani, A.; Sengottuvelan, N.; Chakkaravarthi, G.; Manivannan, V.","1,2-Bis(2-hydroxy-5-methylbenzylidene)hydrazine","Acta Crystallographica Section E","2013","69","9","o1394","o1395","10.1107/S160053681302148X","","","0.71073","MoKα","","0.0952","0.0503","","","0.128","0.1541","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238522","8.7879","0.0008","9.4844","0.0009","18.9207","0.0018","90","","90","","90","","1577","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-[(<i>tert</i>-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoate","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","LH5632","Li, Xiaokun","Methyl 2-[(<i>tert</i>-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoate","Acta Crystallographica Section E","2013","69","9","o1372","","10.1107/S160053681301979X","","","0.71073","MoKα","","0.0404","0.0388","","","0.1003","0.1015","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238549","9.36677","0.00018","15.8434","0.0003","16.1452","0.0003","90","","90","","90","","2395.97","0.08","291","2","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-[2-(5-Bromothiophen-2-yl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol","","- C28 H23 Br N2 O S -","- C28 H23 Br N2 O S -","- C112 H92 Br4 N8 O4 S4 -","4","1","RZ5079","Gao, Jie; Yang, Liangru; Mai, Wenpeng; Yuan, Jinwei; Mao, Pu","2-[2-(5-Bromothiophen-2-yl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol","Acta Crystallographica Section E","2013","69","9","o1379","","10.1107/S1600536813021016","","","1.5418","CuKα","","0.0355","0.0332","","","0.0828","0.0849","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238581","6.5043","0.0009","14.6915","0.0019","15.398","0.003","90","","90","","90","","1471.4","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-{[(<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylidene]amino}pyridinium perchlorate","","- C16 H13 Cl N2 O5 -","- C16 H13 Cl N2 O5 -","- C64 H52 Cl4 N8 O20 -","4","1","XU5730","Damous, Maamar; Dénès, George; Bouacida, Sofiane; Hamlaoui, Meriem; Merazig, Hocine; Daran, Jean-Claude","3-{[(<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylidene]amino}pyridinium perchlorate","Acta Crystallographica Section E","2013","69","9","o1460","o1461","10.1107/S1600536813023015","","","0.71073","MoKα","","0.1528","0.0586","","","0.1027","0.1269","","","","","","0.917","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238691","7.487","0.0007","10.205","0.0014","22.232","0.002","90","","90","","90","","1698.6","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>,3a<i>S</i>,6<i>R</i>,6a<i>R</i>)-2-Oxohexahydrofuro[3,2-<i>b</i>]furan-3,6-diyl dibenzoate","","- C20 H16 O7 -","- C20 H16 O7 -","- C80 H64 O28 -","4","1","ZP2007","Piccialli, Vincenzo; Oliviero, Giorgia; Zaccaria, Sabrina; Centore, Roberto; Tuzi, Angela","(3<i>S</i>,3a<i>S</i>,6<i>R</i>,6a<i>R</i>)-2-Oxohexahydrofuro[3,2-<i>b</i>]furan-3,6-diyl dibenzoate","Acta Crystallographica Section E","2013","69","10","o1494","o1495","10.1107/S160053681302391X","","","0.71073","MoKα","","0.0469","0.0344","","","0.0729","0.0782","","","","","","1.069","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238725","10.8411","0.0005","11.5923","0.0004","34.8078","0.0012","90","","90","","90","","4374.4","0.3","183","","183","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Rubidium pentaaqua(<i>L</i>-serine)cobalt(II) hexahydrogenhexamolybdocobaltate(III) <i>L</i>-serine monosolvate decahydrate","","- C6 H50 Co2 Mo6 N2 O45 Rb -","- C6 H14 Co2 Mo6 N2 O45 Rb -","- C24 H56 Co8 Mo24 N8 O180 Rb4 -","4","1","HB7134","Iijima, Jun; Naruke, Haruo; Takiyama, Hiroshi","Rubidium pentaaqua(<small>L</small>-serine)cobalt(II) hexahydrogenhexamolybdocobaltate(III) <small>L</small>-serine monosolvate decahydrate","Acta Crystallographica Section E","2013","69","11","m612","m613","10.1107/S1600536813028304","","","0.71075","MoKα","","","0.0362","","","","0.0987","","","","","","1.038","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238757","4.9164","0.0002","14.649","0.0005","18.013","0.0006","90","","90","","90","","1297.3","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>)-2-(4-Amino-5-iodo-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-7-yl)-5-methyltetrahydrofuran-3,4-diol","","- C11 H13 I N4 O3 -","- C11 H13 I N4 O3 -","- C44 H52 I4 N16 O12 -","4","1","KQ2009","Flörke, Ulrich; Drewes, Birte","(2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>)-2-(4-Amino-5-iodo-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-7-yl)-5-methyltetrahydrofuran-3,4-diol","Acta Crystallographica Section E","2013","69","11","o1646","o1647","10.1107/S1600536813027931","","","0.71073","MoKα","","0.0204","0.02","","","0.0508","0.051","","","","","","1.064","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238760","5.0375","0.0003","11.4515","0.0013","20.802","0.002","90","","90","","90","","1200","0.19","200","1","200","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","LL-P880 beta","(6<i>S</i>*)-6-[(1<i>S</i>*,2<i>R</i>*)-1,2-Dihydroxypentyl]-4-methoxy-5,6-dihydro-2<i>H</i>-pyran-2-one","","- C11 H18 O5 -","- C11 H18 O5 -","- C44 H72 O20 -","4","1","LH5653","Valenti, Domenic J.; Arif, Atta M.; Strobel, Gary A.; Harper, James K.","(6<i>S</i>*)-6-[(1<i>S</i>*,2<i>R</i>*)-1,2-Dihydroxypentyl]-4-methoxy-5,6-dihydro-2<i>H</i>-pyran-2-one","Acta Crystallographica Section E","2013","69","11","o1657","o1658","10.1107/S1600536813027025","","","0.71073","MoKα","","0.082","0.0515","","","0.1072","0.1205","","","","","","1.056","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238792","8.5619","0.0001","11.8846","0.0002","17.7457","0.0003","90","","90","","90","","1805.71","0.05","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>E</i>)-13-(4-Aminophenyl)parthenolide","(3a<i>S</i>,9a<i>R</i>,10a<i>R</i>,10b<i>S</i>,<i>E</i>)-3-[(<i>E</i>)-4-(4-Aminobenzylidene)-6,9a-dimethyl-3a,4,5,8,9,9a,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan-2(3<i>H</i>)-one","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","SU2647","Penthala, Narsimha Reddy; Janganati, Venumadhav; Parkin, Sean; Varughese, Kottayil I.; Crooks, Peter A.","(<i>E</i>)-13-(4-Aminophenyl)parthenolide","Acta Crystallographica Section E","2013","69","11","o1709","o1710","10.1107/S1600536813028730","","","1.54178","CuKα","","0.0268","0.0265","","","0.0699","0.0704","","","","","","1.062","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238799","5.9045","0.0003","15.6099","0.0007","20.0424","0.0009","90","","90","","90","","1847.28","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pyrrolidinium-2-carboxylate‒4-nitrophenol (1/2)","","- C17 H19 N3 O8 -","- C17 H19 N3 O8 -","- C68 H76 N12 O32 -","4","1","SU2657","Sowmya, Narayanan Swarna; Vidyalakshmi, Yechuri; Sampathkrishnan, Sadasivam; Srinivasan, Thothadri; Velmurugan, Devadasan","Pyrrolidinium-2-carboxylate‒4-nitrophenol (1/2)","Acta Crystallographica Section E","2013","69","11","o1723","","10.1107/S1600536813028742","","","0.71073","MoKα","","0.0491","0.0365","","","0.087","0.0936","","","","","","1.064","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238805","7.0982","0.0003","8.4931","0.0004","20.497","0.0009","90","","90","","90","","1235.68","0.1","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4,6-trinitrophenyl furan 2-carboxilate","2,4,6-Trinitrophenyl furan-2-carboxylate","","- C11 H5 N3 O9 -","- C11 H5 N3 O9 -","- C44 H20 N12 O36 -","4","1","TK5263","Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Kennedy, Alan R.","2,4,6-Trinitrophenyl furan-2-carboxylate","Acta Crystallographica Section E","2013","69","11","o1682","","10.1107/S1600536813028274","","","0.71073","MoKα","","0.0452","0.0389","","","0.0917","0.0948","","","","","","1.063","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238826","9.1","0.0002","12.549","0.0004","14.407","0.0005","90","","90","","90","","1645.22","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-10-Bromomethyl-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H23 Br Cl2 -","- C16 H23 Br Cl2 -","- C64 H92 Br4 Cl8 -","4","1","YK2099","Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","Absolute configuration of (1<i>S</i>,3<i>R</i>,8<i>R</i>)-10-bromomethyl-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","Acta Crystallographica Section E","2013","69","11","o1692","o1693","10.1107/S1600536813028183","","","1.54184","CuKα","","0.0281","0.0267","","","0.0681","0.0695","","","","","","1.039","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238841","7.75379","0.00016","11.9658","0.0003","14.9005","0.0003","90","","90","","90","","1382.47","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Chloro-3-methylphenyl quinoline-2-carboxylate","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C68 H48 Cl4 N4 O8 -","4","1","BT6947","Fazal, E.; Kaur, Manpreet; Sudha, B. S.; Nagarajan, S.; Jasinski, Jerry P.","4-Chloro-3-methylphenyl quinoline-2-carboxylate","Acta Crystallographica Section E","2013","69","12","o1842","o1843","10.1107/S1600536813032017","","","1.54184","CuKα","","0.0329","0.032","","","0.0841","0.085","","","","","","1.049","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238844","6.1679","0.0012","11.094","0.002","20.502","0.004","90","","90","","90","","1402.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(Quinolin-8-yloxy)methyl]-1<i>H</i>-benzimidazole monohydrate","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","BX2452","Tang, Lin; Zhang, Yue; Wen, Yonghong","2-[(Quinolin-8-yloxy)methyl]-1<i>H</i>-benzimidazole monohydrate","Acta Crystallographica Section E","2013","69","12","o1838","","10.1107/S1600536813031322","","","0.71073","MoKα","","0.043","0.0391","","","0.0844","0.0866","","","","","","1.06","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238863","9.6625","0.0003","10.8994","0.0002","15.8154","0.0004","90","","90","","90","","1665.61","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3a<i>R</i>,8b<i>R</i>)-3a,8b-Dihydroxy-2-methylsulfanyl-3-nitro-1-phenyl-1,8b-dihydroindeno [1,2-<i>b</i>]pyrrol-4(3a<i>H</i>)-one","","- C18 H14 N2 O5 S -","- C18 H14 N2 O5 S -","- C72 H56 N8 O20 S4 -","4","1","HB7154","Nagalakshmi, R. A.; Suresh, J.; Jeyachandran, V.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","(3a<i>R</i>,8b<i>R</i>)-3a,8b-Dihydroxy-2-methylsulfanyl-3-nitro-1-phenyl-1,8b-dihydroindeno[1,2-<i>b</i>]pyrrol-4(3a<i>H</i>)-one","Acta Crystallographica Section E","2013","69","12","o1770","o1771","10.1107/S1600536813029577","","","0.71073","MoKα","","0.0366","0.0324","","","0.088","0.0916","","","","","","1.002","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238874","4.7223","0.0005","13.9357","0.0017","23.028","0.003","90","","90","","90","","1515.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-5-Bromo-2-hydroxy-3-methoxybenzylidene]benzohydrazide monohydrate","","- C15 H15 Br N2 O4 -","- C15 H15 Br N2 O4 -","- C60 H60 Br4 N8 O16 -","4","1","HG5359","Emmanuel, Jessy; Sithambaresan, M.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-5-Bromo-2-hydroxy-3-methoxybenzylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2013","69","12","o1775","o1776","10.1107/S1600536813030572","","","0.71073","MoKα","","0.0693","0.0444","","","0.1","0.114","","","","","","0.888","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238885","5.9089","0.0005","10.4444","0.001","11.9274","0.0011","90","","90","","90","","736.1","0.12","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Isovaline monohydrate","2-Azaniumyl-2-methylbutanoate monohydrate","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C20 H52 N4 O12 -","4","1","JJ2178","Butcher, Ray J.; Brewer, Greg; Burton, Aaron S.; Dworkin, Jason P.","Isovaline monohydrate","Acta Crystallographica Section E","2013","69","12","o1829","o1830","10.1107/S1600536813031620","","","1.54184","CuKα","","0.064","0.0564","","","0.1565","0.1624","","","","","","1.109","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238890","8.3978","0.0003","11.2689","0.0004","15.921","0.0006","90","","90","","90","","1506.67","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-<i>N</i>-Benzyl-2,6-dideoxy-2,6-imino-3,4-<i>O</i>-isopropylidene-<i>D</i>-allononitrile","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C64 H80 N8 O12 -","4","1","LH5665","Ayers, Benjamin J.; Jenkinson, Sarah F.; Fleet, George W. J.; Thompson, Amber L.","2-<i>N</i>-Benzyl-2,6-dideoxy-2,6-imino-3,4-<i>O</i>-isopropylidene-<small>D</small>-allononitrile","Acta Crystallographica Section E","2013","69","12","o1772","","10.1107/S1600536813030584","","","0.71073","MoKα","","0.0731","0.0436","","0.1207","0.0948","0.1207","","","","","","0.9532","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238920","12.7882","0.0007","13.7906","0.0006","16.0636","0.0007","90","","90","","90","","2832.9","0.2","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-4,5-Diphenyl-1-[1-phenyl-3-(phenylsulfanyl)propan-2-yl]-2-(thiophen-2-yl)-1<i>H</i>-imidazole","","- C34 H28 N2 S2 -","- C34 H28 N2 S2 -","- C136 H112 N8 S8 -","4","1","RZ5094","Gao, Jie; Wang, Hongyan; Yang, Liangru; Xiao, Yongmei; Mao, Pu","(<i>S</i>)-4,5-Diphenyl-1-[1-phenyl-3-(phenylsulfanyl)propan-2-yl]-2-(thiophen-2-yl)-1<i>H</i>-imidazole","Acta Crystallographica Section E","2013","69","12","o1858","","10.1107/S1600536813032066","","","1.5418","CuKα","","0.0514","0.0448","","","0.1197","0.1267","","","","","","1.027","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238924","9.1329","0.0002","10.5227","0.0002","16.7194","0.0003","90","","90","","90","","1606.78","0.05","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","13-(<i>N</i>,<i>N</i>-Dimethylamino)micheliolide 0.08-hydrate","(3<i>R</i>,3a<i>S</i>,9<i>R</i>,9a<i>S</i>,9b<i>S</i>)-3-[(Dimethylamino)methyl]-9-hydroxy-6,9-dimethyl-3,3a,4,5,7,8,9,9a-octahydroazuleno[4,5-<i>b</i>]furan-2(9b<i>H</i>)-one 0.08-hydrate","","- C17 H27.16 N O3.08 -","- C17 H27.156 N O3.078 -","- C68 H108.624 N4 O12.312 -","4","1","SJ5365","Bommagani, Shobanbabu; Penthala, Narsimha Reddy; Janganati, Venumadhav; Parkin, Sean; Crooks, Peter A.","13-(<i>N</i>,<i>N</i>-Dimethylamino)micheliolide 0.08-hydrate","Acta Crystallographica Section E","2013","69","12","o1789","o1790","10.1107/S1600536813030304","","","1.54178","CuKα","","0.0254","0.0252","","","0.0665","0.0666","","","","","","1.071","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238933","9.2035","0.0002","13.4629","0.0002","22.9607","0.0005","90","","90","","90","","2844.96","0.1","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,5<i>S</i>,7<i>R</i>)-3-Benzoyl-4-hydroxy-8,8-dimethyl-1,5,7-tris(3-methylbut-2-enyl)bicyclo[3.3.1]nona-3-ene-2,9-dione","","- C33 H42 O4 -","- C33 H42 O4 -","- C132 H168 O16 -","4","1","TK5270","Vaneesa Nagalingam, Sree; Wong Pik Ching, Janet; Khaled bin Break, Mohammed; Tahir, M. Ibrahim M.; Khoo, Teng-Jin","A <i>P</i>2~1~2~1~2~1~ polymorph of (+)-clusianone","Acta Crystallographica Section E","2013","69","12","o1799","o1800","10.1107/S1600536813031036","","","1.5418","CuKα","","0.0352","0.0335","","0.0838","0.0824","0.0838","","","","","","0.9567","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238955","10.4817","0.0004","13.4904","0.0005","15.1639","0.0005","90","","90","","90","","2144.21","0.13","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4'-Acetyloxy-1,3,1'-trioxo-1,3,4,4a,4b,5,6,7,9,9a-decahydrospiro[indene-2,9'-pyrano[4,3-<i>a</i>]pyrrolizin]-3'-yl)methyl acetate","","- C23 H23 N O8 -","- C23 H23 N O8 -","- C92 H92 N4 O32 -","4","1","ZS2277","Latha, N.; Naga Siva Rao, J.; Raghunathan, R.; Divya, G.; Lakshmi, S.","(4'-Acetyloxy-1,3,1'-trioxo-1,3,4,4a,4b,5,6,7,9,9a-decahydrospiro[indene-2,9'-pyrano[4,3-<i>a</i>]pyrrolizin]-3'-yl)methyl acetate","Acta Crystallographica Section E","2013","69","12","o1764","","10.1107/S1600536813029826","","","0.71073","MoKα","","0.0757","0.0517","","","0.1311","0.1463","","","","","","1.033","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238969","9.7368","0.0002","13.4345","0.0004","18.3933","0.0004","90","","90","","90","","2406.01","0.1","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[tetrakis(μ-1,1,1,3,3,3-hexafluoropropan-2-olato)iron(II)dipotassium]","","- C12 H4 F24 Fe K2 O4 -","- C12 H4 F24 Fe K2 O4 -","- C48 H16 F96 Fe4 K8 O16 -","4","1","","Purdy, Andrew P.; Butcher, Ray J.","Poly[tetrakis(μ-1,1,1,3,3,3-hexafluoropropan-2-olato)iron(II)dipotassium]","Acta Crystallographica Section E","2014","70","2","m32","m33","10.1107/S1600536813034946","","","1.54184","CuKα","","0.0795","0.068","","","0.1713","0.1816","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239000","7.924","0.002","14.772","0.004","18.151","0.005","90","","90","","90","","2124.6","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-<i>N</i>-[(<i>R</i>)-2,2-Dichloro-1-phenyl-2-(phenylsulfonyl)ethyl]-2-methylpropane-2-sulfinamide","","- C18 H21 Cl2 N O3 S2 -","- C18 H21 Cl2 N O3 S2 -","- C72 H84 Cl8 N4 O12 S8 -","4","1","ZS2283","Huang, Haiji; Li, Ya; Chu, Jingming","(<i>R</i>)-<i>N</i>-[(<i>R</i>)-2,2-Dichloro-1-phenyl-2-(phenylsulfonyl)ethyl]-2-methylpropane-2-sulfinamide","Acta Crystallographica Section E","2014","70","2","o119","","10.1107/S1600536813034909","","","0.71073","MoKα","","0.0407","0.0376","","","0.085","0.0864","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239015","8.2261","0.0003","11.6007","0.0005","14.5738","0.0005","90","","90","","90","","1390.76","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,5-dimethylphenyl quinoline-2-carboxylate","2,5-Dimethylphenyl quinoline-2-carboxylate","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","HB7183","Fazal, E.; Kaur, Manpreet; Jasinski, Jerry P.; Nagarajan, S.; Sudha, B. S.","2,5-Dimethylphenyl quinoline-2-carboxylate","Acta Crystallographica Section E","2014","70","2","o147","","10.1107/S160053681400052X","","","1.54184","CuKα","","0.037","0.0353","","","0.0988","0.1006","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239027","4.4979","0.0002","8.3377","0.0004","13.3911","0.0006","90","","90","","90","","502.19","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Barium polyphosphate","Barium <i>catena</i>-polyphosphate","","- Ba O6 P2 -","- Ba O6 P2 -","- Ba4 O24 P8 -","4","1","PJ2008","Weil, Matthias","Redetermination of β-Ba(PO~3~)~2~","Acta Crystallographica Section E","2014","70","2","i7","","10.1107/S1600536814000361","","","0.71073","MoKα","","0.0202","0.0197","","","0.0471","0.0473","","","","","","1.132","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239029","5.1818","0.001","16.968","0.003","19.484","0.004","90","","90","","90","","1713.1","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3,4-Tri-<i>O</i>-acetyl-2-<i>N</i>-(trifluoroacetyl)-β-<i>L</i>-fucose","","- C14 H18 F3 N O8 -","- C14 H18 F3 N O8 -","- C56 H72 F12 N4 O32 -","4","1","BV2229","McCutcheon, David C.; Norris, Peter; Zeller, Matthias","1,3,4-Tri-<i>O</i>-acetyl-2-<i>N</i>-(trifluoroacetyl)-β-<small>L</small>-fucose","Acta Crystallographica Section E","2014","70","2","o134","o135","10.1107/S1600536813034958","","","0.71073","MoKα","","0.0418","0.0373","","","0.0853","0.0878","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239044","7.4724","0.0004","14.3106","0.0007","16.1549","0.0007","90","","90","","90","","1727.52","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-(3,4,5-trimethoxybenzylidene)]hydrazine","1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-(3,4,5-trimethoxybenzylidene)]hydrazine","","- C16 H16 N4 O7 -","- C16 H16 N4 O7 -","- C64 H64 N16 O28 -","4","1","SJ5380","Chantrapromma, Suchada; Ruanwas, Pumsak; Boonnak, Nawong; Chidan Kumar, C. S.; Fun, Hoong-Kun","1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-(3,4,5-trimethoxybenzylidene)]hydrazine","Acta Crystallographica Section E","2014","70","2","o188","o189","10.1107/S1600536814001238","","","0.71073","MoKα","","0.0663","0.0476","","","0.0989","0.1072","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239061","6.1997","0.0007","12.9145","0.0015","16.591","0.0019","90","","90","","90","","1328.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(4-Hydroxyanilino)methylidene]naphthalen-2(1<i>H</i>)-one","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","HB7165","Chahmana, Safia; Benghanem, Fatiha; Keraghel, Saida; Ourari, Ali","1-[(4-Hydroxyanilino)methylidene]naphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2014","70","2","o107","","10.1107/S160053681303451X","","","0.71073","MoKα","","0.0497","0.0364","","","0.0919","0.0992","","","","","","1.106","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239090","3.9825","0.0001","11.1705","0.0004","27.4417","0.0009","90","","90","","90","","1220.79","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,6-Dichloro-9-(prop-2-yn-1-yl)-9<i>H</i>-carbazole","","- C15 H9 Cl2 N -","- C15 H9 Cl2 N -","- C60 H36 Cl8 N4 -","4","1","LH5674","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Mohamed, Asmaa H.; Albayati, Mustafa R.","3,6-Dichloro-9-(prop-2-yn-1-yl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2014","70","1","o27","","10.1107/S1600536813032777","","","1.54178","CuKα","","0.0276","0.0264","","","0.0674","0.0684","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239095","11.315","0.0009","15.629","0.002","19.419","0.002","90","","90","","90","","3434.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quinoxaline-indene","6a-Nitro-6-(2,2,7,7-tetramethyltetrahydro-3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl)-6a,6b,7,8,9,11a-hexahydro-6<i>H</i>-spiro[chromeno[3,4-<i>a</i>]pyrrolizine-11,11'-indeno[1,2-<i>b</i>]quinoxaline]","","- C39 H38 N4 O8 -","- C39 H38 N4 O8 -","- C156 H152 N16 O32 -","4","1","","Anuradha, T.; Naga Siva Rao, J.; Seshadri, P. R.; Raghunathan, R.","6a-Nitro-6-(2,2,7,7-tetramethyltetrahydro-3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl)-6a,6b,7,8,9,11a-hexahydro-6<i>H</i>-spiro[chromeno[3,4-<i>a</i>]pyrrolizine-11,11'-indeno[1,2-<i>b</i>]quinoxaline]","Acta Crystallographica Section E","2014","70","1","o38","o39","10.1107/S1600536813032467","","","0.71073","MoKα","","0.1124","0.0499","","","0.1015","0.1238","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239112","13.0428","0.001","13.3557","0.001","27.4939","0.0017","90","","90","","90","","4789.3","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^<i>O</i>)bis(tetrahydrofuran-κ<i>O</i>)potassium bis[(1,2,3,4-η)-anthracene]cobalt(-I) tetrahydrofuran monosolvate","","- C52 H68 Co K O9 -","- C52 H68 Co K O9 -","- C208 H272 Co4 K4 O36 -","4","1","HG5364","He, Haiyan; Klein, Wilhelm; Fässler, Thomas F.","(1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^<i>O</i>)bis(tetrahydrofuran-κ<i>O</i>)potassium bis[(1,2,3,4-η)-anthracene]cobalt({-}I) tetrahydrofuran monosolvate","Acta Crystallographica Section E","2014","70","1","m9","m10","10.1107/S1600536813032510","","","0.71073","MoKα","","0.1157","0.0454","","","0.0668","0.0758","","","","","","0.765","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239124","9.31412","0.00017","11.9669","0.0002","15.4894","0.0003","90","","90","","90","","1726.47","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Isopropyl-5-methylcyclohexyl quinoline-2-carboxylate","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","TK5278","Fazal, E.; Jasinski, Jerry P.; Anderson, Brian J.; Sudha, B. S.; Nagarajan, S.","2-Isopropyl-5-methylcyclohexyl quinoline-2-carboxylate","Acta Crystallographica Section E","2014","70","1","o35","o36","10.1107/S1600536813033060","","","1.54184","CuKα","","0.0376","0.0365","","","0.0966","0.0978","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239150","5.0939","0.0003","9.3629","0.0005","18.7422","0.001","90","","90","","90","","893.88","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(6-Hydroxy-1-benzofuran-3-yl)acetamide","","- C10 H9 N O3 -","- C10 H9 N O3 -","- C40 H36 N4 O12 -","4","1","","Arunakumar, D. B.; Krishnaswamy, G.; Sreenivasa, S.; Pampa, K. J.; Lokanath, N. K.; Suchetan, P. A.","2-(6-Hydroxy-1-benzofuran-3-yl)acetamide","Acta Crystallographica Section E","2014","70","1","o87","","10.1107/S1600536813033436","","","1.54178","CuKα","","0.0334","0.0332","","","0.0808","0.081","","","","","","1.135","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239180","8.017","0.007","11.734","0.009","16.131","0.013","90","","90","","90","","1517","2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Amino-12-methylsulfonyloxy-[2.2]paracyclophane","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C68 H76 N4 O12 S4 -","4","1","CV5436","Meng, Xiangchao; Duan, Wenzeng; Han, Yinfeng","4-Amino-12-methylsulfonyloxy-[2.2]paracyclophane","Acta Crystallographica Section E","2014","70","1","o18","","10.1107/S1600536813032595","","","0.71073","MoKα","","0.0483","0.0376","","","0.0798","0.0844","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239217","6.6088","0.0006","10.1483","0.0008","26.813","0.002","90","","90","","90","","1798.3","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(3-{(3<i>R</i>,4<i>R</i>)-4-Methyl-3-[methyl(7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4-yl)amino]piperidin-1-yl}oxetan-3-yl)acetonitrile monohydrate","","- C18 H26 N6 O2 -","- C18 H26 N6 O2 -","- C72 H104 N24 O8 -","4","1","","Gehringer, Matthias; Pfaffenrot, Ellen; Keck, Peter R. W. E. F.; Schollmeyer, Dieter; Laufer, Stefan A.","2-(3-{(3<i>R</i>,4<i>R</i>)-4-Methyl-3-[methyl(7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4-yl)amino]piperidin-1-yl}oxetan-3-yl)acetonitrile monohydrate","Acta Crystallographica Section E","2014","70","4","o382","o383","10.1107/S1600536814004449","","","0.71073","MoKα","","0.1784","0.0623","","","0.1132","0.1504","","","","","","0.904","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2239253","13.5013","0.0019","14.042","0.002","17.213","0.003","90","","90","","90","","3263.3","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(1<i>S</i>,6<i>R</i>,7<i>S</i>,9<i>R</i>)-8,8-Dibromo-5,5,9-trimethyltricyclo[4.4.0.1^7,9^]decan-1-yl]ethanone","","- C16 H24 Br2 O -","- C16 H24 Br2 O -","- C128 H192 Br16 O8 -","8","2","BT6967","Zaki, Mohamed; Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","1-[(1<i>S</i>,6<i>R</i>,7<i>S</i>,9<i>R</i>)-8,8-Dibromo-5,5,9-trimethyltricyclo[4.4.0.1^7,9^]decan-1-yl]ethanone","Acta Crystallographica Section E","2014","70","4","o444","","10.1107/S1600536814005431","","","0.71073","MoKα","","0.0497","0.0313","","","0.0552","0.0595","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239262","10.251","0.003","12.838","0.004","30.915","0.009","90","","90","","90","","4068","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Heptacarbonylbis(μ-propane-1,3-\ dithiolato)triiron(I,II)(2 <i>Fe</i>—<i>Fe</i>)","","- C13 H12 Fe3 O7 S4 -","- C13 H12 Fe3 O7 S4 -","- C104 H96 Fe24 O56 S32 -","8","2","WM5007","Hu, Mingqiang; Ma, Chengbing; Wen, Huimin; Cui, Honghua; Chen, Changneng","Heptacarbonylbis(μ-propane-1,3-dithiolato)triiron(I,II)(2 <i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2014","70","4","m124","","10.1107/S1600536814004619","","","0.710747","MoKα","","0.0577","0.043","","","0.0511","0.056","","","","","","0.86","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239331","8.528","0.005","11.653","0.002","13.114","0.006","90","","90","","90","","1303.2","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate","1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate","","- C6 H16 Cd Cl4 N2 O -","- C6 H16 Cd Cl4 N2 O -","- C24 H64 Cd4 Cl16 N8 O4 -","4","1","","Ben Rhaiem, Tarek; Boughzala, Habib","1,4-Diazoniabicyclo[2.2.2]octane tetrachloridocadmate(II) monohydrate","Acta Crystallographica Section E","2014","70","5","m178","","10.1107/S1600536814007533","","","0.71073","MoKα","","0.0513","0.048","","","0.1312","0.1338","","","","","","1.194","","","","has coordinates,has Fobs","194538","2020-10-21","18:00:00",""
"2239341","7.08","0.0003","9.8644","0.0003","10.6156","0.0004","90","","90","","90","","741.39","0.05","294","","294","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","β-<i>D</i>-Gulose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Ishii, Tomohiko; Ohga, Shunsuke; Fukada, Kazuhiro; Morimoto, Kenji; Sakane, Genta","β-<small>D</small>-Gulose","Acta Crystallographica Section E","2014","70","5","o569","","10.1107/S1600536814008046","","","1.54187","CuKα","","","0.0354","","","","0.0729","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239352","6.5377","0.0001","9.1848","0.0002","23.2699","0.0005","90","","90","","90","","1397.3","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 4-<i>O</i>-benzyl-α-<i>L</i>-rhamnopyranoside","","- C14 H20 O5 -","- C14 H20 O5 -","- C56 H80 O20 -","4","1","","Pendrill, Robert; Eriksson, Lars; Widmalm, Göran","Methyl 4-<i>O</i>-benzyl-α-<small>L</small>-rhamnopyranoside","Acta Crystallographica Section E","2014","70","5","o561","o562","10.1107/S1600536814007922","","","0.71073","MoKα","","0.0446","0.0346","","","0.0782","0.0814","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239363","6.0205","0.0003","12.9441","0.0006","17.1071","0.0009","90","","90","","90","","1333.16","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[Ethyl(2-hydroxyethyl)carbamothioyl]-3-fluorobenzamide","","- C12 H15 F N2 O2 S -","- C12 H15 F N2 O2 S -","- C48 H60 F4 N8 O8 S4 -","4","1","BQ2395","Awang, Nor Wahida.; Hasbullah, Siti Aishah; Yusoff, Siti Fairus M.; Yamin, Bohari M.","<i>N</i>-[Ethyl(2-hydroxyethyl)carbamothioyl]-3-fluorobenzamide","Acta Crystallographica Section E","2014","70","5","o570","","10.1107/S1600536814008174","","","0.71073","MoKα","","0.0462","0.0362","","","0.0817","0.0863","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239383","7.5159","0.0001","14.0478","0.0003","18.205","0.0003","90","","90","","90","","1922.12","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Methyl-3-phenylimidazolidine-2-thione","","- C10 H12 N2 S -","- C10 H12 N2 S -","- C80 H96 N16 S8 -","8","2","","Nor, Nabihah Al Muna Mohd; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T.","1-Methyl-3-phenylimidazolidine-2-thione","Acta Crystallographica Section E","2014","70","3","o334","","10.1107/S1600536814003626","","","1.54184","CuKα","","0.0341","0.0327","","","0.0885","0.0898","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239391","8.7866","0.0002","9.6082","0.0002","21.0088","0.0005","90","","90","","90","","1773.63","0.07","90","0.2","90","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Melampomagnolide B","4-(((1a<i>R</i>,7a<i>S</i>,10a<i>S</i>,10b<i>S</i>,<i>E</i>)-1a-Methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan-5-yl)methoxy)-4-oxobutanoic acid","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","SJ5379","Janganati, Venumadhav; Penthala, Narsimha Reddy; Madadi, Nikhil Reddy; Parkin, Sean; Crooks, Peter A.","Monosuccinate ester of melampomagnolide B","Acta Crystallographica Section E","2014","70","3","o372","o373","10.1107/S1600536814002815","","","1.54178","CuKα","","0.024","0.0239","","","0.0621","0.0622","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239410","9.765","0.003","13.113","0.004","19.378","0.006","90","","90","","90","","2481.3","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-((<i>E</i>)-{4-[Bis(4-ethoxyphenyl)amino]phenyl}iminomethyl)phenol","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C116 H112 N8 O12 -","4","1","","Gao, Bing-Fei; Jin, Zhe-Peng; Chen, Jiang; Tian, Yu-Peng","2-((<i>E</i>)-{4-[Bis(4-ethoxyphenyl)amino]phenyl}iminomethyl)phenol","Acta Crystallographica Section E","2014","70","3","o313","","10.1107/S1600536814003201","","","0.71073","MoKα","","0.0718","0.0437","","","0.0995","0.1129","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239429","8.8056","0.0002","10.6638","0.0002","21.8315","0.0005","90","","90","","90","","2050","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 1-benzyl-5-methyl-2,4-diphenyl-1<i>H</i>-pyrrole-3-carboxylate","","- C26 H23 N O2 -","- C26 H23 N O2 -","- C104 H92 N4 O8 -","4","1","TK5295","Lopchuk, Justin M.; Gribble, Gordon W.; Jasinski, Jerry P.","Methyl 1-benzyl-5-methyl-2,4-diphenyl-1<i>H</i>-pyrrole-3-carboxylate","Acta Crystallographica Section E","2014","70","3","o338","o339","10.1107/S1600536814003316","","","1.5418","CuKα","","0.0512","0.0439","","","0.1141","0.1193","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239437","4.8009","0.0001","12.2309","0.0002","16.0247","0.0003","90","","90","","90","","940.96","0.03","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fluorenone oxime","Fluoren-9-one oxime","","- C13 H9 N O -","- C13 H9 N O -","- C52 H36 N4 O4 -","4","1","GK2601","Bugenhagen, Bernhard; Al Jasem, Yosef; Al-Azani, Mariam; Thiemann, Thies","Fluoren-9-one oxime","Acta Crystallographica Section E","2014","70","3","o265","","10.1107/S1600536814002669","","","1.5418","CuKα","","0.0309","0.0293","","","0.0732","0.0745","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239445","7.1617","0.0001","13.1615","0.0002","19.2306","0.0003","90","","90","","90","","1812.65","0.05","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>E</i>)-13-(2-Bromophenyl)micheliolide","(3<i>E</i>,3a<i>S</i>,6<i>Z</i>,9<i>R</i>,9a<i>S</i>,9b<i>S</i>)-3-(2-Bromobenzylidene)-9-hydroxy-6,9-dimethyl-3,3a,4,5,7,8,9,9a-octahydroazuleno[4,5-<i>b</i>]furan-2(9b<i>H</i>)-one","","- C21 H23 Br O3 -","- C21 H23 Br O3 -","- C84 H92 Br4 O12 -","4","1","SJ5372","Penthala, Narsimha Reddy; Bommagani, Shobanbabu; Janganati, Venumadhav; Parkin, Sean; Crooks, Peter A.","(<i>E</i>)-13-(2-Bromophenyl)micheliolide","Acta Crystallographica Section E","2014","70","3","o251","o252","10.1107/S1600536814002177","","","0.71073","MoKα","","0.0293","0.0254","","","0.0618","0.0636","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239485","8.8352","0.0001","11.4047","0.0001","16.1327","0.0002","90","","90","","90","","1625.58","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-Ferrocenyl-3-(2-methoxyphenyl)prop-2-en-1-one","","- C20 H18 Fe O2 -","- C20 H18 Fe O2 -","- C80 H72 Fe4 O8 -","4","1","","Otaño Vega, Myrna R.; Rivero, Kennett I.; Montes González, Ingrid","(<i>E</i>)-1-Ferrocenyl-3-(2-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2014","70","3","m108","m109","10.1107/S1600536814003912","","","0.71073","MoKα","","0.0321","0.026","","","0.0619","0.0647","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239513","10.54812","0.00016","12.77836","0.00019","18.48","0.0003","90","","90","","90","","2490.88","0.07","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[2-(2-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol","","- C30 H25 N3 O3 -","- C30 H25 N3 O3 -","- C120 H100 N12 O12 -","4","1","RZ5116","Li, Yizhen; Mao, Pu; Xiao, Yongmei; Yang, Liangru; Qu, Lingbo","2-[2-(2-Nitrophenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol","Acta Crystallographica Section E","2014","70","5","o621","","10.1107/S1600536814008770","","","1.5418","CuKα","","0.0397","0.038","","","0.1086","0.1112","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239528","7.434","0.004","7.475","0.003","16.785","0.002","90","","90","","90","","932.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Chloro-2-methylanilinium chloride monohydrate","","- C7 H11 Cl2 N O -","- C7 H11 Cl2 N O -","- C28 H44 Cl8 N4 O4 -","4","1","FJ2671","Maroua, Arbi; Lamia, Khederi; Ahmed, Hamdi; Mohamed, Rzaigui","3-Chloro-2-methylanilinium chloride monohydrate","Acta Crystallographica Section E","2014","70","6","o643","","10.1107/S1600536814009921","","","0.56087","AgKα","","0.1571","0.0547","","","0.1299","0.1628","","","","","","0.92","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239549","9.1465","0.0003","10.0346","0.0004","16.6469","0.0006","90","","90","","90","","1527.88","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7,7-[Ethane-1,2-diylbis(oxy)]-2-[hydroxy(phenyl)methyl]bicyclo[3.3.1]nonan-3-one","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","IS5345","Li, Jian; Ma, Jia Qi; Mo, Wei Min; Shen, Zhen Lu","7,7-[Ethane-1,2-diylbis(oxy)]-2-[hydroxy(phenyl)methyl]bicyclo[3.3.1]nonan-3-one","Acta Crystallographica Section E","2014","70","6","o665","","10.1107/S1600536814009040","","","0.71073","MoKα","","0.044","0.0386","","","0.0924","0.096","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239556","7.3627","0.0005","12.4007","0.001","14.4365","0.0012","90","","90","","90","","1318.09","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-{(<i>E</i>)-[(2-Methylphenyl)iminiumyl]methyl}naphthalen-2-olate","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","HB7171","Khelifa Baghdouche, Ammar; Mosbah, Salima; Belhocine, Youghourta; Bencharif, Leïla","Zwitterionic 1-{(<i>E</i>)-[(2-methylphenyl)iminiumyl]methyl}naphthalen-2-olate","Acta Crystallographica Section E","2014","70","6","o676","","10.1107/S1600536814008794","","","0.71073","MoKα","","0.0538","0.0407","","","0.103","0.1109","","","","","","1.133","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239561","6.7744","0.0001","17.2209","0.0004","19.1592","0.0005","90","","90","","90","","2235.14","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-Deacetoxy-1-oxocaesalmin","1-Deacetoxy-1-oxocaesalmin","","- C24 H30 O7 -","- C24 H30 O7 -","- C96 H120 O28 -","4","1","ZS2299","Feng, Juan; Zhang, Jian-Long; Zhang, Rong-Rong; Ruan, Li-Jun; Jiang, Ren-Wang","1-Deacetoxy-1-oxocaesalmin","Acta Crystallographica Section E","2014","70","6","o662","","10.1107/S1600536814011040","","","1.54184","CuKα","","0.0381","0.0342","","","0.0835","0.0873","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239631","5.6833","0.0003","13.0817","0.0006","16.4001","0.0008","90","","90","","90","","1219.3","0.1","302","2","302","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-3-Chloro-<i>N</i>'-(2-fluorobenzylidene)thiophene-2-carbohydrazide","","- C12 H8 Cl F N2 O S -","- C12 H8 Cl F N2 O S -","- C48 H32 Cl4 F4 N8 O4 S4 -","4","1","CV5453","Sultan, Sadia; Taha, Muhammad; Shah, Syed Adnan Ali; Yamin, Bohari M.; Zaki, Hamizah Mohd","(<i>E</i>)-3-Chloro-<i>N</i>'-(2-fluorobenzylidene)thiophene-2-carbohydrazide","Acta Crystallographica Section E","2014","70","7","o751","","10.1107/S1600536814011568","","","0.71073","MoKα","","0.0231","0.0225","","","0.0641","0.0647","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239678","6.6537","0.0013","8.0998","0.0015","20.179","0.004","90","","90","","90","","1087.5","0.4","188","2","188","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[guanidinium [tri-μ-formato-κ^6^<i>O</i>:<i>O</i>'-formato-κ^2^<i>O</i>,<i>O</i>'-yttrium(III)]]","","- C5 H10 N3 O8 Y -","- C5 H10 N3 O8 Y -","- C20 H40 N12 O32 Y4 -","4","1","BV2234","Rodriguez, Mark A.; Sava Gallis, Dorina F.; Nenoff, Tina M.","Poly[guanidinium [tri-μ-formato-κ^6^<i>O</i>:<i>O</i>'-formato-κ^2^<i>O</i>,<i>O</i>'-yttrium(III)]]","Acta Crystallographica Section E","2014","70","7","m261","m262","10.1107/S1600536814013440","","","0.71073","MoKα","","0.0206","0.017","","","0.0355","0.0364","","","","","","0.921","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239685","5.725","0.003","32.57","0.03","4.706","0.004","90","","90","","90","","877.5","1.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Chloro-7-fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H4 Cl F O3 -","- C10 H4 Cl F O3 -","- C40 H16 Cl4 F4 O12 -","4","1","","Ishikawa, Yoshinobu","6-Chloro-7-fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2014","70","7","o825","","10.1107/S1600536814014706","","","0.71069","MoKα","","","0.0265","","","","0.0735","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239690","4.826","0.002","7.919","0.003","23.06","0.008","90","","90","","90","","881.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethylquinazolin-4(3<i>H</i>)-one","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Saitkulov, Fozil E.; Tashniyazov, Azamat A.; Mamadrahimov, Azimjon A.; Shakhidoyatov, Kh. M.","2,3-Dimethylquinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2014","70","7","o788","","10.1107/S1600536814013749","","","1.54184","CuKα","","0.1183","0.0714","","","0.1839","0.2299","","","","","","0.969","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239704","6.9117","0.0006","7.0898","0.0006","21.4784","0.0016","90","","90","","90","","1052.5","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-EDOT-aniline","4-(2,3-Dihydrothieno[3,4-<i>b</i>][1,4]dioxin-5-yl)aniline","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C48 H44 N4 O8 S4 -","4","1","LH5708","Mitchell, Lauren A.; Holliday, Bradley J.","4-(2,3-Dihydrothieno[3,4-<i>b</i>][1,4]dioxin-5-yl)aniline","Acta Crystallographica Section E","2014","70","7","o803","","10.1107/S1600536814014093","","","0.71075","MoKα","","0.0293","0.0286","","","0.0748","0.0752","","","","","","0.864","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239726","6.5427","0.0003","10.8219","0.0005","19.8397","0.001","90","","90","","90","","1404.74","0.12","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5<i>R</i>*)-5-[(2<i>S</i>*,5<i>S</i>*)-1-Methoxy-5-phenylpyrrolidin-2-yl]-3-methylfuran-2(5<i>H</i>)-one","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","IS5367","Oishi, Takeshi; Yoritate, Makoto; Sato, Takaaki; Chida, Noritaka","(5<i>R</i>*)-5-[(2<i>S</i>*,5<i>S</i>*)-1-Methoxy-5-phenylpyrrolidin-2-yl]-3-methylfuran-2(5<i>H</i>)-one","Acta Crystallographica Section E","2014","70","8","o839","","10.1107/S1600536814014974","","","0.71073","MoKα","","0.0323","0.0309","","","0.0748","0.0754","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239771","5.422","0.0005","7.9937","0.0007","19.267","0.002","90","","90","","90","","835.07","0.14","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Kalium-4-azido-bezolsulfonat","Potassium 4-azidobenzenesulfonate","","- C6 H4 K N3 O3 S -","- C6 H4 K N3 O3 S -","- C24 H16 K4 N12 O12 S4 -","4","1","HP2068","Biesemeier, Frank; Geiseler, Gertraud; Harms, Klaus; Müller, Ulrich","Potassium 4-azidobenzenesulfonate","Acta Crystallographica Section E","2014","70","8","m300","","10.1107/S1600536814015669","","","0.71069","MoKα","","0.0187","0.0179","","","0.0474","0.0478","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239784","7.8559","0.0004","14.1579","0.001","29.888","0.002","90","","90","","90","","3324.2","0.4","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Bis(17-β-estradiol 3-methyl ether) oxalate diester","Bis[3-methoxy-17β-estra-1,3,5(10)-trien-17-yl] oxalate","","- C40 H50 O6 -","- C40 H50 O6 -","- C160 H200 O24 -","4","1","SU0001","Harrison, William T. A.; Nahar, Lutfun; Turner, Alan B.","Crystal structure of bis[3-methoxy-17β-estra-1,3,5(10)-trien-17-yl] oxalate","Acta Crystallographica Section E","2014","70","8","62","64","10.1107/S1600536814009349","","","0.71073","MoKα","","0.1555","0.075","","","0.1085","0.1284","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239806","6.9824","0.0001","18.2035","0.0004","31.4449","0.0009","90","","90","","90","","3996.78","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Betulin 3,28-di-O-tosylate","(1<i>R</i>,3a<i>S</i>,5a<i>R</i>,5b<i>R</i>,7a<i>R</i>,9<i>S</i>,11a<i>R</i>,11b<i>R</i>,13a<i>R</i>,13b<i>R</i>)-5a,5b,8,8,11a-Pentamethyl-1-(prop-1-en-2-yl)-3a-[(tosyloxy)methyl]icosahydro-1<i>H</i>-cyclopenta[<i>a</i>]chrysen-9-yl 4-methylbenzenesulfonate","","- C44 H62 O6 S2 -","- C44 H62 O6 S2 -","- C176 H248 O24 S8 -","4","1","FY2116","Peipiņš, Uldis; Freimanis, Niks; Stepanovs, Dmitrijs; Mishnev, Anatoly; Turks, Māris","Betulin 3,28-di-<i>O</i>-tosylate","Acta Crystallographica Section E","2014","70","8","o879","o880","10.1107/S1600536814016602","","","0.71073","MoKα","","0.1815","0.0769","","","0.114","0.1422","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239833","5.1","0.0004","12.7455","0.0009","15.13","0.001","90","","90","","90","","983.48","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(8-Methoxy-2<i>H</i>-chromen-3-yl)ethanone","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Koh, Dongsoo","Crystal structure of 1-(8-methoxy-2<i>H</i>-chromen-3-yl)ethanone","Acta Crystallographica Section E","2014","70","9","o936","o937","10.1107/S1600536814016808","","","0.71073","MoKα","","0.0704","0.0414","","","0.0909","0.1483","","","","","","1.151","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239842","4.1538","0.0004","11.3685","0.0011","15.855","0.0016","90","","90","","90","","748.71","0.13","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-Chloro-2-iodoaniline","4-Chloro-2-iodoaniline","","- C6 H5 Cl I N -","- C6 H5 Cl I N -","- C24 H20 Cl4 I4 N4 -","4","1","JJ2191","Quinn, Taylor R.; Tanski, Joseph M.","Crystal structure of 4-chloro-2-iodoaniline","Acta Crystallographica Section E","2014","70","9","o944","o945","10.1107/S1600536814016869","","","0.71073","MoKα","","0.0382","0.0292","","","0.0508","0.0534","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239852","6.17","0.0012","11.051","0.002","37.526","0.008","90","","90","","90","","2558.7","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(4-Methoxyphenyl)ethanone O-[(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carbonyl]oxime","","- C29 H37 N O3 -","- C29 H37 N O3 -","- C116 H148 N4 O12 -","4","1","LR2129","Rao, Xiao-Ping; Cui, Yan-Jie; Zheng, Jian-Qiang","Crystal structure of (<i>E</i>)-1-(4-methoxyphenyl)ethanone <i>O</i>-dehydroabietyloxime","Acta Crystallographica Section E","2014","70","9","o948","","10.1107/S1600536814016882","","","0.71073","MoKα","","0.1579","0.0783","","","0.1517","0.1833","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239854","9.4606","0.0003","9.7999","0.0003","11.1155","0.0004","90","","90","","90","","1030.55","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-<i>tert</i>-Butyl-1,3-thiazolo[4,5-<i>b</i>]pyridine","","- C10 H12 N2 S -","- C10 H12 N2 S -","- C40 H48 N8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Masmali, Ali M.; Kariuki, Benson M.","Crystal structure of 2-<i>tert</i>-butyl-1,3-thiazolo[4,5-<i>b</i>]pyridine","Acta Crystallographica Section E","2014","70","9","o932","","10.1107/S160053681401633X","","","1.54184","CuKα","","0.0333","0.0328","","","0.089","0.0897","","","","","","1.119","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239875","7.94506","0.00013","10.17919","0.00016","14.8052","0.0003","90","","90","","90","","1197.36","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(prop-2-ynyloxy)-TEMPO","4-(Prop-2-ynyloxy)-2,2,6,6-tetramethylpiperidin-1-oxyl","","- C12 H20 N O2 -","- C12 H20 N O2 -","- C48 H80 N4 O8 -","4","1","HB7267","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Crystal structure of 4-(prop-2-ynyloxy)-2,2,6,6-tetramethylpiperidin-1-oxyl","Acta Crystallographica Section E","2014","70","9","130","133","10.1107/S1600536814017991","","","1.54184","CuKα","","0.0485","0.043","","","0.1207","0.1229","","","","","","1.151","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239876","28.804","0.006","6.176","0.0012","13.922","0.003","90","","90","","90","","2476.6","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-(4-Chlorophenyl)ethanone <i>O</i>-dehydroabietyloxime","","- C28 H34 Cl N O2 -","- C28 H34 Cl N O2 -","- C112 H136 Cl4 N4 O8 -","4","1","HB7249","Zheng, Jian-Qiang; Cui, Yan-Jie; Rao, Xiao-Ping","Crystal structure of (<i>E</i>)-1-(4-chlorophenyl)ethanone <i>O</i>-dehydroabietyloxime","Acta Crystallographica Section E","2014","70","9","o899","o900","10.1107/S1600536814015888","","","0.71073","MoKα","","0.1368","0.0692","","","0.1591","0.2051","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239891","8.2139","0.0001","11.6117","0.0002","13.882","0.0002","90","","90","","90","","1324.03","0.03","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-3-Menthone thiosemicarbazone","(<i>E</i>)-2-[(2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexylidene]hydrazine-1-carbothioamide","","- C11 H21 N3 S -","- C11 H21 N3 S -","- C44 H84 N12 S4 -","4","1","","de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; de Farias, Renan Lira; de Godoy Netto, Adelino Vieira","Crystal structure of (<i>E</i>)-2-[(2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexylidene]hydrazine-1-carbothioamide","Acta Crystallographica Section E","2014","70","9","o903","o904","10.1107/S1600536814015980","","","0.71073","MoKα","","0.0283","0.0246","","","0.0575","0.0595","","","","","","1.049","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239926","12.234","0.004","12.02","0.004","6.809","0.003","90","","90","","90","","1001.3","0.6","10","2","10","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","magnesium selenate heptahydrate","Hexaaquamagnesium(II) selenate monohydrate","","- H14 Mg O11 Se -","- H14 Mg O11 Se -","- H56 Mg4 O44 Se4 -","4","1","","Fortes, A. Dominic; Gutmann, Matthias J.","Crystal structure of magnesium selenate heptahydrate, MgSeO~4~·7H~2~O, from neutron time-of-flight data","Acta Crystallographica Section E","2014","70","9","134","137","10.1107/S1600536814018698","","","","neutron","","0.0723","0.0723","","","0.1969","0.1969","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239968","9.3347","0.0002","16.2442","0.0003","19.258","0.0004","90","","90","","90","","2920.18","0.1","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>E</i>)-13-{4-[(<i>Z</i>)-2-Cyano-2-(3,4,5-\ trimethoxyphenyl)ethenyl]phenyl}parthenolide methanol hemisolvate","(<i>Z</i>)-3-(4-{(<i>E</i>)-[(<i>E</i>)-1a,5-Dimethyl-9-oxo-2,3,7,7a-tetrahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan-8(1a<i>H</i>,6<i>H</i>,9<i>H</i>,10a<i>H</i>,10b<i>H</i>)-ylidene]methyl}phenyl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile methanol hemisolvate","","- C33.5 H37 N O6.5 -","- C33.5 H37 N O6.5 -","- C134 H148 N4 O26 -","4","1","SJ5404","Penthala, Narsimha Reddy; Bommagani, Shobanbabu; Janganati, Venumadhav; Parkin, Sean; Crooks, Peter A.","Crystal structure of (<i>E</i>)-13-{4-[(<i>Z</i>)-2-cyano-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl}parthenolide methanol hemisolvate","Acta Crystallographica Section E","2014","70","10","o1092","o1093","10.1107/S1600536814019333","","","1.54178","CuKα","","0.0244","0.0242","","","0.0652","0.0654","","","","","","1.033","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2239969","7.0719","0.0005","16.3972","0.0008","31.88","0.002","90","","90","","90","","3696.8","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(Pyridin-2-ylmethylidene)(triphenylmethyl)amine","","- C25 H20 N2 -","- C25 H20 N2 -","- C200 H160 N16 -","8","2","TK5243","Theppitak, Chatphorn; Meesangkaew, Manlika; Chanthee, Songwuit; Sriprang, Nimit; Chainok, Kittipong","Crystal structure of (pyridin-2-ylmethylidene)(triphenylmethyl)amine","Acta Crystallographica Section E","2014","70","10","o1094","o1095","10.1107/S160053681401959X","","","1.54178","CuKα","","0.0827","0.0566","","0.133","","0.1532","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239974","9.3383","0.0004","12.338","0.0005","20.5893","0.0008","90","","90","","90","","2372.22","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2'-Benzyloxy-[1,1'-binaphthalen]-2-yl trifluoromethanesulfonate","","- C28 H19 F3 O4 S -","- C28 H19 F3 O4 S -","- C112 H76 F12 O16 S4 -","4","1","SU2775","Carrilho, Rui M. B.; Pereira, Mariette M.; Maria, Teresa M. R.; Eusébio, M. Ermelinda S.; Rodrigues, V. H.","Crystal structure of (<i>R</i>)-2'-benzyloxy-[1,1'-binaphthalen]-2-yl trifluoromethanesulfonate","Acta Crystallographica Section E","2014","70","10","o1096","o1097","10.1107/S1600536814019096","","","0.71073","MoKα","","0.0497","0.0368","","","0.0827","0.0881","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2239994","6.84764","0.00017","7.27667","0.00018","19.1751","0.0005","90","","90","","90","","955.46","0.04","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(Pyrimidin-2-yl)piperazin-1-ium chloride","","- C8 H13 Cl N4 -","- C8 H13 Cl N4 -","- C32 H52 Cl4 N16 -","4","1","HB7279","Yamuna, Thammarse S.; Jasinski, Jerry P.; Kaur, Manpreet; Anderson, Brian J.; Yathirajan, H. S.","Crystal structures of 4-(pyrimidin-2-yl)piperazin-1-ium chloride and 4-(pyrimidin-2-yl)piperazin-1-ium nitrate","Acta Crystallographica Section E","2014","70","10","203","206","10.1107/S1600536814020169","","","1.54184","CuKα","","0.0364","0.0347","","","0.0892","0.0908","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240059","9.1115","0.0007","9.647","0.0008","19.4856","0.0015","90","","90","","90","","1712.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 1-methyl-3-phenyl-4,5-dihydro-1<i>H</i>,3<i>H</i>-benzo[4,5]imidazo[2,1-<i>c</i>][1,4]oxazepine-4-carboxylate","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","SU2789","Govindaraj, J.; Raja, R.; Suresh, M.; Raghunathan, R.; SubbiahPandi, A.","Crystal structures of methyl 3-phenyl-4,5-dihydro-1<i>H</i>,3<i>H</i>-benzo[4,5]imidazo[2,1-<i>c</i>][1,4]oxazepine-4-carboxylate and methyl 1-methyl-3-phenyl-4,5-dihydro-1<i>H</i>,3<i>H</i>-benzo[4,5]imidazo[2,1-<i>c</i>][1,4]oxazepine-4-carboxylate","Acta Crystallographica Section E","2014","70","11","316","318","10.1107/S1600536814021655","","","0.71073","MoKα","","0.0613","0.037","","","0.0774","0.0894","","","","","","1.059","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240118","9.1567","0.0013","10.2951","0.0015","22.494","0.003","90","","90","","90","","2120.5","0.5","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","wwb04","(<i>R</i>~S~)-<i>N</i>-[(1<i>R</i>,2<i>S</i>)-2-Benzyloxy-1-(2,6-dimethylphenyl)propyl]-2-methylpropane-2-sulfinamide","","- C22 H31 N O2 S -","- C22 H31 N O2 S -","- C88 H124 N4 O8 S4 -","4","1","SU2794","Carbone, Matthew R.; Centola, Garrick A.; Haas, Adam; McClelland, Kevin P.; Moskowitz, Michael D.; Verderame, Angelo M.; Olezeski, Mikael S.; Papa, Louis J.; Dorn, Stephanie C. M.; Brennessel, William W.; Weix, Daniel J.","Crystal structures of (<i>R</i>~S~)-<i>N</i>-[(1<i>R</i>,2<i>S</i>)-2-benzyloxy-1-(2,6-dimethylphenyl)propyl]-2-methylpropane-2-sulfinamide and (<i>R</i>~S~)-<i>N</i>-[(1<i>S</i>,2<i>R</i>)-2-benzyloxy-1-(2,4,6-trimethylphenyl)propyl]-2-methylpropane-2-sulfinamide: two related protected 1,2-amino alcohols","Acta Crystallographica Section E","2014","70","11","365","369","10.1107/S1600536814022570","","","0.71073","MoKα","","0.0478","0.0391","","","0.092","0.096","","","","","","1.09","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240121","6.111","0.0006","10.0547","0.0011","21.497","0.002","90","","90","","90","","1320.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-<i>N</i>-Methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide","","- C14 H11 N3 O S -","- C14 H11 N3 O S -","- C56 H44 N12 O4 S4 -","4","1","SU2796","Vimala, G.; Govindaraj, J.; Haribabu, J.; Karvembu, R.; SubbiahPandi, A.","Crystal structure of (2<i>E</i>)-<i>N</i>-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide","Acta Crystallographica Section E","2014","70","11","415","417","10.1107/S1600536814023216","","","0.71073","MoKα","","0.0547","0.0354","","","0.0877","0.0997","","","","","","0.986","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240130","6.8096","0.0005","17.6403","0.0015","29.3604","0.0019","90","","90","","90","","3526.9","0.5","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nicotinium 3,5-dinitrosalicylate","(1<i>R</i>,2<i>S</i>)-1-Methyl-2-(pyridin-3-yl)pyrrolidin-1-ium 2-carboxy-4,6-dinitrophenolate","","- C17 H18 N4 O7 -","- C17 H18 N4 O7 -","- C136 H144 N32 O56 -","8","2","LH5736","Smith, Graham; Wermuth, Urs D.","Crystal structures and hydrogen bonding in the proton-transfer salts of nicotine with 3,5-dinitrosalicylic acid and 5-sulfosalicylic acid","Acta Crystallographica Section E","2014","70","11","430","434","10.1107/S1600536814023253","","","0.71073","MoKα","","0.1139","0.0723","","","0.1066","0.1224","","","","","","1.065","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240165","9.05738","0.00008","11.87633","0.00009","21.13465","0.00015","90","","90","","90","","2273.42","0.03","291","2","291.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Hydrocortisone 17-butyrate","(8<i>S</i>,9<i>S</i>,10<i>R</i>,11<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl butanoate","","- C25 H36 O6 -","- C25 H36 O6 -","- C100 H144 O24 -","4","1","RZ5136","Zhu, Yu; Shen, Wei; Wang, Hai-li","Crystal structure of hydrocortisone 17-butyrate","Acta Crystallographica Section E","2014","70","12","o1239","o1240","10.1107/S1600536814023903","","","1.54184","CuKα","","0.0407","0.0399","","","0.1099","0.1109","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176809","2020-10-21","18:00:00",""
"2240172","4.2987","0.0004","7.0243","0.001","27.587","0.004","90","","90","","90","","833","0.19","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methoxyisoindoline-1,3-dione","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","SU2795","Ezemobi, Fortune; North, Henry; Scott, Kenneth R.; Wutoh, Anthohy K.; Butcher, Ray J.","Crystal structures of 2-methoxyisoindoline-1,3-dione, 1,3-dioxoisoindolin-2-yl methyl carbonate and 1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-2-yl methyl carbonate: three anticonvulsant compounds","Acta Crystallographica Section E Structure Reports Online","2014","70","12","456","","10.1107/S1600536814023769","","","0.71073","MoKα","","0.1098","0.0989","","","0.2209","0.2287","","","","","","1.126","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240181","7.0988","0.0002","12.3864","0.0003","33.2745","0.0009","90","","90","","90","","2925.78","0.13","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Betulinic acid methanol monosolvate","3β-Hydroxylup-20(29)-en-28-oic acid methanol monosolvate","","- C31 H52 O4 -","- C31 H52 O4 -","- C124 H208 O16 -","4","1","ZS2317","Tang, Wei; Chen, Neng-Hua; Li, Guo-Qiang; Wang, Guo-Cai; Li, Yao-Lan","Crystal structure of betulinic acid methanol monosolvate","Acta Crystallographica Section E","2014","70","12","o1242","o1243","10.1107/S1600536814023848","","","1.54184","CUKα","","0.0518","0.0436","","","0.1033","0.1117","","","","","","1.051","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240198","7.906","0.004","11.306","0.005","13.504","0.007","90","","90","","90","","1207.1","1","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>S</i>)-5,5-Dimethyl-2-(pyridin-2-yl)-1,3-thiazolidine-4-carboxylic acid","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C44 H56 N8 O8 S4 -","4","1","","Laskar, Payel; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi","Crystal structure of (2<i>S</i>,4<i>S</i>)-5,5-dimethyl-2-(pyridin-2-yl)-1,3-thiazolidine-4-carboxylic acid","Acta Crystallographica Section E","2014","70","12","o1264","","10.1107/S1600536814024854","","","0.71075","MoKα","","0.029","0.0281","","","0.0737","0.0742","","","","","","1.102","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240210","6.1605","0.0004","11.849","0.0008","15.3861","0.0011","90","","90","","90","","1123.12","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4<i>R</i>,5<i>S</i>)-4-Methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","HB7309","Silveira, Gustavo Pozza; da Silva, Vinicius Flores; Oliver, Allen G.","Crystal structure of (4<i>R</i>,5<i>S</i>)-4-methyl-3-methylsulfinyl-5-phenyl-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2014","70","12","o1257","o1258","10.1107/S1600536814024702","","","0.71073","Mo-Kα","","0.0311","0.0274","","","0.0685","0.0704","","","","","","1.026","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240213","6.9795","0.0003","12.5421","0.0006","18.1849","0.0011","90","","90","","90","","1591.86","0.14","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Zinc chloride 4.5-hydrate","Hexaaquazinc tetrachloridozinc trihydrate","","- Cl2 H9 O4.5 Zn -","- Cl4 H18 O9 Zn2 -","- Cl16 H72 O36 Zn8 -","4","1","","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of ZnCl~2~·2.5H~2~O, ZnCl~2~·3H~2~O and ZnCl~2~·4.5H~2~O","Acta Crystallographica Section E","2014","70","12","515","518","10.1107/S1600536814024738","","","0.71073","MoKα","","0.0229","0.0211","","","0.052","0.0525","","","","","","0.991","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240241","6.867","0.005","10.121","0.004","16.497","0.006","90","","90","","90","","1146.6","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Piperidinium 4-nitrophenolate","","- C11 H16 N2 O3 -","- C11 H16 N2 O3 -","- C44 H64 N8 O12 -","4","1","SU5022","Sowmya, N. Swarna; Sampathkrishnan, S.; Sudhahar, S.; Chakkaravarthi, G.; Kumar, R. Mohan","Crystal structure of piperidinium 4-nitrophenolate","Acta Crystallographica Section E","2014","70","12","559","561","10.1107/S1600536814025306","","","0.71073","MoKα","","0.0396","0.0347","","","0.0877","0.0912","","","","","","1.041","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240260","5.2123","0.0002","9.5031","0.0003","41.3363","0.0017","90","","90","","90","","2047.51","0.13","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(tert-butoxycarbonyl)phenylalanyldehydroalanine isopropyl ester","<i>N</i>-(<i>tert</i>-Butoxycarbonyl)phenylalanyldehydroalanine isopropyl ester","","- C20 H28 N2 O5 -","- C20 H28 N2 O5 -","- C80 H112 N8 O20 -","4","1","ZS2321","Lenartowicz, Paweł; Makowski, Maciej; Zarychta, Bartosz; Ejsmont, Krzysztof","Crystal structure of <i>N</i>-(<i>tert</i>-butoxycarbonyl)phenylalanyldehydroalanine isopropyl ester (Boc‒Phe‒ΔAla‒OiPr)","Acta Crystallographica Section E","2014","70","12","599","602","10.1107/S1600536814025197","","","0.71073","MoKα","","0.0624","0.0458","","","0.0748","0.0785","","","","","","0.984","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240272","5.7999","0.0002","10.0103","0.0006","30.405","0.0018","90","","90","","90","","1765.28","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Nitromethyl-1-[(<i>S</i>)-1-phenylethyl]-6-sulfanylidenepiperidine-2-carboxylate","","- C17 H22 N2 O4 S -","- C17 H22 N2 O4 S -","- C68 H88 N8 O16 S4 -","4","1","SU5036","Zárate, Araceli; Aparicio, David; Palillero, Angel; Mendoza, Angel","Crystal structure of (2<i>S</i>,4<i>R</i>)-ethyl 4-nitromethyl-1-[(<i>S</i>)-1-phenylethyl]-6-sulfanylidenepiperidine-2-carboxylate","Acta Crystallographica Section E","2015","71","1","o41","o42","10.1107/S2056989014026711","","","0.71073","MoKα","","0.0954","0.056","","","","0.1044","","","","","","1.037","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240326","7.989","0.0002","8.8411","0.0003","8.3434","0.0002","90","","90","","90","","589.31","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Poly[μ~4~-tartrato-κ^6^<i>O</i>^1^,<i>O</i>^3^:<i>O</i>^1'^:<i>O</i>^2^,<i>O</i>^4^:<i>O</i>^4'^-lead]","","- C4 H4 O6 Pb -","- C4 H4 O6 Pb -","- C16 H16 O24 Pb4 -","4","1","","Weil, Matthias","Crystal structure of lead(II) tartrate: a redetermination","Acta Crystallographica Section E","2015","71","1","82","84","10.1107/S2056989014027376","","","0.71073","MoKα","","0.0309","0.0205","","","0.0391","0.0415","","","","","","1.061","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240336","7.9048","0.0002","8.7521","0.0002","22.7094","0.0005","90","","90","","90","","1571.12","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(2<i>R</i>,3<i>R</i>,4<i>S</i>)-3,4-Bis(acetyloxy)-5-iodo-3,4-dihydro-2<i>H</i>-pyran-2-yl]methyl acetate","","- C12 H15 I O7 -","- C12 H15 I O7 -","- C48 H60 I4 O28 -","4","1","","Zukerman-Schpector, Julio; Caracelli, Ignez; Stefani, Hélio A.; Shamim, Anwar; Tiekink, Edward R.T.","Crystal structure of [(2<i>R</i>,3<i>R</i>,4<i>S</i>)-3,4-bis(acetyloxy)-5-iodo-3,4-dihydro-2<i>H</i>-pyran-2-yl]methyl acetate","Acta Crystallographica Section E","2015","71","1","o53","o54","10.1107/S205698901402564X","","","0.71073","MoKα","","0.0338","0.0282","","","0.0677","0.0709","","","","","","1.04","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240338","4.347","0.003","13.583","0.002","16.411","0.003","90","","90","","90","","969","0.7","294","","294","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Dichlorido{4-[(<i>E</i>)-(methoxyimino-κ<i>N</i>)methyl]-1,3-thiazol-2-amine-κ<i>N</i>^3^}palladium(II)","","- C5 H7 Cl2 N3 O Pd S -","- C5 H7 Cl2 N3 O Pd S -","- C20 H28 Cl8 N12 O4 Pd4 S4 -","4","1","WM5096","Dyakonenko, Viktorita V.; Zholob, Olga O.; Orysyk, Svitlana I.; Pekhnyo, Vasily I.","Crystal structure of dichlorido{4-[(<i>E</i>)-(methoxyimino-κ<i>N</i>)methyl]-1,3-thiazol-2-amine-κ<i>N</i>^3^}palladium(II)","Acta Crystallographica Section E","2015","71","1","m10","m11","10.1107/S2056989014026619","","","0.71073","MoKα","","0.0238","0.0219","","","0.0464","0.0473","","","","","","1.039","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240341","8.479","0.0003","9.6751","0.0003","15.4488","0.0005","90","","90","","90","","1267.34","0.07","223","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-4-Carbamoyl-4-(1,3-dioxoisoindolin-2-yl)butanoic acid","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C52 H48 N8 O20 -","4","1","IS5381","Otogawa, Kohei; Ishikawa, Kazuhiko; Shiro, Motoo; Asahi, Toru","Crystal structure of (<i>S</i>)-4-carbamoyl-4-(1,3-dioxoisoindolin-2-yl)butanoic acid","Acta Crystallographica Section E","2015","71","1","107","109","10.1107/S2056989014027121","","","1.54187","CuKα","","0.0279","0.027","","","0.0664","0.0674","","","","","","1.077","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240343","10.126","0.009","15.096","0.014","15.355","0.013","90","","90","","90","","2347","4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cyclic ester of phenylalanylalanylglycylphenylalanyl(2-aminopropane)","3,12-Dibenzyl-9,14-dimethyl-1-oxa-4,7,10,13-tetraazacyclopentadecane-2,5,8,11-tetrone","","- C26 H32 N4 O5 -","- C26 H32 N4 O5 -","- C104 H128 N16 O20 -","4","1","LH5744","Guéret, Stéphanie M.; Wagner, Trixie","A cyclic carbo-isosteric penta-depsipeptide: <i>cyclo</i>(Phe^1^‒<small>D</small>-Ala^2^‒Gly^3^‒Phe^4^‒APO^5^)","Acta Crystallographica Section E","2015","71","1","113","116","10.1107/S2056989014027406","","","1.54178","CuKα","","0.05","0.0467","","","0.1091","0.112","","","","","","1.085","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240357","8.9989","0.0007","11.0036","0.0009","18.4209","0.0016","90","","90","","90","","1824","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2-Methyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)(phenyl)methanone","","- C22 H17 N O3 S -","- C22 H17 N O3 S -","- C88 H68 N4 O12 S4 -","4","1","IS5387","Umadevi, M.; Saravanan, V.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.","Crystal structure of [2-methyl-1-(phenylsulfonyl)-1<i>H</i>-indol-3-yl](phenyl)methanone","Acta Crystallographica Section E","2015","71","2","133","135","10.1107/S2056989014028059","","","0.71073","MoKα","","0.0749","0.036","","","0.0751","0.091","","","","","","1.023","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240377","9.4626","0.0006","12.2687","0.0008","29.6074","0.0018","90","","90","","90","","3437.2","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Cholesteryl 2,4-dimethoxy-3-methylcinnamate","Cholest-5-en-3β-yl 3-(2,4-dimethoxy-3-methylphenyl)prop-2-enoate","","- C39 H58 O4 -","- C39 H58 O4 -","- C156 H232 O16 -","4","1","SU5049","Bugenhagen, Bernhard; Munk, Ariane; Vill, Volkmar; Al Jasem, Yosef; Thiemann, Thies","Crystal structure of cholest-5-en-3β-yl 3-(2,4-dimethoxy-3-methylphenyl)prop-2-enoate","Acta Crystallographica Section E","2015","71","2","o92","o93","10.1107/S2056989014028278","","","0.71073","MOKα","","0.0634","0.0459","","","0.101","0.112","","","","","","1.03","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240380","17.1572","0.0003","17.232","0.0003","17.2966","0.0003","90","","90","","90","","5113.79","0.15","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Di-<i>n</i>-butylbis(<i>η</i>^5^-pentamethylcyclopentadienyl)hafnium(IV)","","- C28 H48 Hf -","- C28 H48 Hf -","- C224 H384 Hf8 -","8","2","","Arndt, Perdita; Schubert, Kathleen; Burlakov, Vladimir V.; Spannenberg, Anke; Rosenthal, Uwe","Crystal structure of di-<i>n</i>-butylbis(<i>{η</i>}^5^-pentamethylcyclopentadienyl)hafnium(IV)","Acta Crystallographica Section E","2015","71","2","m19","m20","10.1107/S2056989015000092","","","0.71073","MoKα","","0.0208","0.0177","","","0.037","0.038","","","","","","1.059","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240405","11.7968","0.0002","14.829","0.0003","16.1406","0.0003","90","","90","","90","","2823.55","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aqua[<i>N</i>-(2-oxidobenzyl-κ<i>O</i>)-<i>L</i>-leucinato-κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-<i>N</i>,<i>N</i>')nickel(II) pentahydrate","","- C25 H37 N3 Ni O9 -","- C25 H37 N3 Ni O9 -","- C100 H148 N12 Ni4 O36 -","4","1","FF2134","Faizi, Md. Serajul Haque; Sharkina, Natalia O.","Crystal structure of aqua[<i>N</i>-(2-oxidobenzyl-κ<i>O</i>)-<small>L</small>-leucinato-κ^2^<i>N</i>,<i>O</i>](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) pentahydrate","Acta Crystallographica Section E","2015","71","2","195","198","10.1107/S2056989015001085","","","0.71073","MoKα","","0.0229","0.0215","","","0.0564","0.0573","","","","","","1.032","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240412","10.1891","0.0008","13.4961","0.0011","7.4491","0.0005","90","","90","","90","","1024.35","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[cadmium(II)-di-μ~2~-bromido-μ~2~-<i>L</i>-proline-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","","- C5 H11 Br2 Cd N O3 -","- C5 H11 Br2 Cd N O3 -","- C20 H44 Br8 Cd4 N4 O12 -","4","1","CV5483","Sathiskumar, S.; Balakrishnan, T.; Ramamurthi, K.; Thamotharan, S.","Crystal structure of <i>catena</i>-poly[[cadmium(II)-di-μ~2~-bromido-μ~2~-<small>L</small>-proline-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2015","71","2","217","219","10.1107/S2056989015001176","","","0.71073","MoKα","","0.0603","0.0412","","","0.0828","0.0892","","","","","","1.055","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240435","7.7256","0.0004","19.003","0.0009","29.8162","0.0015","90","","90","","90","","4377.3","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-2-[(3<i>S</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-3-Hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl]-<i>N</i>-methoxy-<i>N</i>-methylpropanamide","","- C24 H39 N O3 -","- C24 H39 N O3 -","- C192 H312 N8 O24 -","8","2","HB7343","Viktorsson, Elvar Ørn; Åstrand, Ove Alexander Høgmoen; Haseeb, Rasha Sabah; Görbitz, Carl Henrik; Rongved, Pål","Crystal structure of (<i>S</i>)-2-[(3<i>S</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl]-<i>N</i>-methoxy-<i>N</i>-methylpropanamide (Fernholz Weinreb amide)","Acta Crystallographica Section E","2015","71","3","275","277","10.1107/S2056989015001747","","","0.71073","MoKα","","0.0846","0.0476","","","0.0874","0.0977","","","","","","1.042","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240469","4.9857","0.0006","19.372","0.002","19.476","0.002","90","","90","","90","","1881.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-[2-(2-{[(Benzyloxy)carbonyl]amino}acetamido)acetamido]pentanoic acid","<i>N</i>-(Benzyloxycarbonyl)glycylglycyl-<i>L</i>-norvaline","","- C17 H23 N3 O6 -","- C17 H23 N3 O6 -","- C68 H92 N12 O24 -","4","1","RZ5147","Nicholas, Sumesh","Crystal structure of the tripeptide <i>N</i>-(benzyloxycarbonyl)glycylglycyl-<small>L</small>-norvaline","Acta Crystallographica Section E","2015","71","3","o216","o217","10.1107/S205698901500393X","","","0.71073","MoKα","","0.1489","0.083","","","0.2037","0.2487","","","","","","1.047","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240512","9.1832","0.0006","14.5805","0.0009","17.5148","0.0011","90","","90","","90","","2345.2","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Berkeleydione","(5a<i>S</i>,7<i>R</i>,9<i>S</i>,11<i>R</i>,11a<i>S</i>)-Methyl 9-hydroxy-1,1,5,7,9,11a-hexamethyl-14-methylidene-3,8,10-trioxo-1,3,4,5a,6,7,8,9,10,11,11a,12-dodecahydro-7,11-methanocycloocta[4,5]cyclohepta[1,2-<i>c</i>]pyran-11-carboxylate","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","SU5086","Stierle, Andrea; Stierle, Donald; Decato, Daniel","Redetermination and absolute configuration of berkeleydione","Acta Crystallographica Section E","2015","71","4","o248","","10.1107/S2056989015003965","","","1.54178","CuKα","","0.0369","0.0342","","","0.0889","0.0907","","","","","","1.061","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240562","8.8748","0.0005","11.2102","0.0006","16.8597","0.0008","90","","90","","90","","1677.34","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-10-Bromomethyl-2,2-dichloro-9,10-epoxy-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodecane","","- C16 H23 Br Cl2 O -","- C16 H23 Br Cl2 O -","- C64 H92 Br4 Cl8 O4 -","4","1","RZ5154","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","Crystal structure of (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>)-10-bromomethyl-2,2-dichloro-9,10-epoxy-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodecane","Acta Crystallographica Section E","2015","71","5","o284","o285","10.1107/S205698901500657X","","","0.71073","MoKα","","0.0374","0.033","","","0.0848","0.0877","","","","","","1.037","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2240572","7.9792","0.0002","8.746","0.0002","25.2064","0.0006","90","","90","","90","","1759.06","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-{4-[(5-chloro-1-benzofuran-2-yl)methyl]-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl}acetate","","- C18 H17 Cl N2 O4 -","- C18 H17 Cl N2 O4 -","- C72 H68 Cl4 N8 O16 -","4","1","TK5363","Boukharsa, Youness; El Ammari, Lahcen; Taoufik, Jamal; Saadi, Mohamed; Ansar, M'hammed","Crystal structure of ethyl 2-{4-[(5-chloro-1-benzofuran-2-yl)methyl]-3-methyl-6-oxo-1,6-dihydropyridazin-1-yl}acetate","Acta Crystallographica Section E","2015","71","5","o291","o292","10.1107/S2056989015006301","","","0.71073","MoKα","","0.0771","0.0442","","","0.0989","0.1144","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2240585","7.7564","0.0002","12.1142","0.0004","12.9355","0.0004","90","","90","","90","","1215.45","0.06","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Nitro-<i>N</i>-(2-nitrophenyl)benzamide","","- C13 H9 N3 O5 -","- C13 H9 N3 O5 -","- C52 H36 N12 O20 -","4","1","HB7415","Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R.","Crystal structure of 2-nitro-<i>N</i>-(2-nitrophenyl)benzamide","Acta Crystallographica Section E","2015","71","6","o389","o390","10.1107/S2056989015008695","","","1.5418","CuKα","","0.0355","0.0335","","","0.0861","0.088","","","","","","1.056","","","","has coordinates,has Fobs","136381","2020-10-21","18:00:00",""
"2240588","13.586","0.0003","15.5857","0.0002","30.9389","0.0005","90","","90","","90","","6551.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 2-[(2-chloro-6-methylquinolin-3-yl)methoxy]benzoate","","- C19 H16 Cl N O3 -","- C19 H16 Cl N O3 -","- C304 H256 Cl16 N16 O48 -","16","4","SU5121","Sowmya, Haliwana B. V.; Suresha Kumara, Tholappanavara H.; Gopalpur, Negendrappa; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, Hemmige S.; Glidewell, Christopher","Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π‒π stacking","Acta Crystallographica Section E","2015","71","6","609","617","10.1107/S2056989015008233","","","1.54184","CuKα","","0.0537","0.0455","","","0.1214","0.1287","","","","","","1.037","","","","has coordinates,has Fobs","136382","2020-10-21","18:00:00",""
"2240626","6.2648","0.0018","10.435","0.003","20.621","0.007","90","","90","","90","","1348.1","0.7","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-Methoxyphenyl 2-oxo-2<i>H</i>-chromene-3-carboxylate","","- C17 H12 O5 -","- C17 H12 O5 -","- C68 H48 O20 -","4","1","","Devarajegowda, H.C.; Suchetan, P. A.; Sreenivasa, S.; Srinivasa, H. T.; Palakshamurthy, B. S.","Crystal structure of 4-methoxyphenyl 2-oxo-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2015","71","6","o374","o375","10.1107/S2056989015006970","","","0.71073","MoKα","","0.041","0.0354","","","0.0828","0.0851","","","","","","1.085","","","","has coordinates,has Fobs","136417","2020-10-21","18:00:00",""
"2240634","7.356","0.0015","12.107","0.002","12.723","0.003","90","","90","","90","","1133.1","0.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4'-Bromo-2,3,5,6-tetrafluorobiphenyl-4-carbonitrile","","- C13 H4 Br F4 N -","- C13 H4 Br F4 N -","- C52 H16 Br4 F16 N4 -","4","1","","Heckel, Ricarda; Hulliger, Jürg; Schwarzer, Anke; Weber, Edwin","Crystal structure of 4'-bromo-2,3,5,6-tetrafluorobiphenyl-4-carbonitrile","Acta Crystallographica Section E","2015","71","5","o347","o348","10.1107/S2056989015007847","","","0.71073","MoKα","","0.0341","0.0277","","","0.0505","0.0521","","","","","","0.987","","","","has coordinates,has Fobs","171761","2020-10-21","18:00:00",""
"2240671","5.5006","0.0003","13.7638","0.0008","20.2148","0.0014","90","","90","","90","","1530.45","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>)-3-Methyl-2-[(naphthalen-1-ylsulfonyl)amino]butanoic acid","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","GK2628","Danish, Muhammad; Tahir, Muhammad Nawaz; Jabeen, Nabila; Raza, Muhammad Asam","Crystal structure of (2<i>S</i>)-3-methyl-2-[(naphthalen-1-ylsulfonyl)amino]butanoic acid","Acta Crystallographica Section E","2015","71","5","o308","","10.1107/S2056989015007057","","","0.71073","MoKα","","0.0583","0.0448","","","0.0887","0.0954","","","","","","1.02","","","","has coordinates,has Fobs","136453","2020-10-21","18:00:00",""
"2240699","8.0734","0.001","9.964","0.0012","27.69","0.0015","90","","90","","90","","2227.5","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3β-Acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate","(3<i>S</i>,8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>S</i>)-10,13-Dimethyl-17-(trifluoromethylsulfonyloxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl acetate","","- C22 H29 F3 O5 S -","- C22 H29 F3 O5 S -","- C88 H116 F12 O20 S4 -","4","1","CV5486","Zhou, Shengjun; Huang, Huaqi; Zhang, Ting; Wang, Dangfeng; Huang, Rongbin","Crystal structure of 3β-acetoxyandrosta-5,16-dien-17-yl trifluoromethanesulfonate","Acta Crystallographica Section E","2015","71","6","o404","o405","10.1107/S2056989015009123","","","0.71073","MoKα","","0.0964","0.0603","","","0.1464","0.1888","","","","","","1.112","","","","has coordinates,has Fobs","136636","2020-10-21","18:00:00",""
"2240715","10.3754","0.0017","32.519","0.005","5.0615","0.0008","90","","90","","90","","1707.7","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-Benzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","SJ5356","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; El-Remaily, Mahmoud A. A.; Albayati, Mustafa R.","<i>N</i>'-[(<i>E</i>)-Benzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide","Acta Crystallographica Section E","2013","69","11","o1614","","10.1107/S1600536813026986","","","0.71073","MoKα","","0.0567","0.0516","","","0.1255","0.1284","","","","","","1.099","","","","has coordinates,has Fobs","136874","2020-10-21","18:00:00",""
"2240725","5.496","0.0007","11.0177","0.0013","20.249","0.002","90","","90","","90","","1226.1","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>-Phenyl-<i>N</i>'-[1-(thiophen-2-yl)ethylidene]formohydrazide.","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C52 H48 N8 O4 S4 -","4","1","IS5369","Dileep, C. S.; Raghavendra, K. R.; Lokanath, N. K.; Ajay Kumar, K.; Sridhar, M. A.","Crystal structure of (<i>E</i>)-<i>N</i>-phenyl-<i>N</i>'-[1-(thiophen-2-yl)ethylidene]formohydrazide","Acta Crystallographica Section E","2014","70","9","o928","o929","10.1107/S1600536814016511","","","1.54178","CuKα","","0.0406","0.0384","","","0.0993","0.1016","","","","","","1.103","","","","has coordinates,has Fobs","136885","2020-10-21","18:00:00",""
"2240731","6.8591","0.0002","12.1829","0.0004","13.5405","0.0005","90","","90","","90","","1131.49","0.06","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-{[(2-Chlorophenyl)imino]methyl}phenol","","- C13 H10 Cl N O -","- C13 H10 Cl N O -","- C52 H40 Cl4 N4 O4 -","4","1","HB7335","Saranya, Matheswaran; Subashini, Annamalai; Arunagiri, Chidambaram; Muthiah, Packianathan Thomas","Crystal structure of 2-{[(2-chlorophenyl)imino]methyl}phenol","Acta Crystallographica Section E","2015","71","1","o48","","10.1107/S2056989014026978","","","0.71073","MoKα","","0.0436","0.0342","","","0.0901","0.0966","","","","","","1.057","","","","has coordinates,has Fobs","136892","2020-10-21","18:00:00",""
"2240735","5.0863","0.0007","12.698","0.002","13.069","0.002","90","","90","","90","","844.1","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,6-Diamino-2-(methylsulfanyl)pyridine-3-carbonitrile","","- C7 H8 N4 S -","- C7 H8 N4 S -","- C28 H32 N16 S4 -","4","1","IS5390","Mohamed, Shaaban K.; Knight, Kyle S.; Akkurt, Mehmet; Hussein, Bahgat R. M.; Albayati, Mustafa R.","Crystal structure of 4,6-diamino-2-(methylsulfanyl)pyridine-3-carbonitrile","Acta Crystallographica Section E","2015","71","3","o197","o198","10.1107/S2056989015003114","","","0.71073","MoKα","","0.0317","0.0256","","","0.0597","0.062","","","","","","1.063","","","","has coordinates,has Fobs","136897","2020-10-21","18:00:00",""
"2240746","7.2348","0.0003","12.8737","0.0006","17.7843","0.0007","90","","90","","90","","1656.41","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4<i>Z</i>)-4-[(2<i>E</i>)-3-(2-Chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C19 H15 Cl N2 O2 -","- C19 H15 Cl N2 O2 -","- C76 H60 Cl4 N8 O8 -","4","1","HB7419","Shahid, Muhammad; Munawar, Munawar Ali; Tahir, Muhammad Nawaz; Salim, Muhammad; Malik, Khizar Iqbal","Crystal structure of (4<i>Z</i>)-4-[(2<i>E</i>)-3-(2-chlorophenyl)-1-hydroxyprop-2-en-1-ylidene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2015","71","6","o407","o408","10.1107/S2056989015009020","","","0.71073","MoKα","","0.0717","0.0425","","","0.0798","0.0913","","","","","","0.999","","","","has coordinates,has Fobs","137010","2020-10-21","18:00:00",""
"2240762","11.5276","0.0009","12.7878","0.001","28.285","0.002","90","","90","","90","","4169.6","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-poly[[aqua-μ~3~-<i>L</i>-proline-tetra-μ~2~-<i>L</i>-proline-dicalcium] tetraiodide 1.7-hydrate]","","- C25 H50.41 Ca2 I4 N5 O12.71 -","- C25 H50.414 Ca2 I4 N5 O12.707 -","- C100 H201.656 Ca8 I16 N20 O50.828 -","4","1","GK2631","Lamberts, Kevin; Englert, Ulli","Crystal structures of coordination polymers from CaI~2~ and proline","Acta Crystallographica Section E","2015","71","6","675","680","10.1107/S2056989015009597","","","0.71073","MoKα","","0.0388","0.0357","","","0.0707","0.0718","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","137296","2020-10-21","18:00:00",""
"2240784","4.4622","0.0001","8.2664","0.0002","27.44","0.0005","90","","90","","90","","1012.16","0.04","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-5-iodoindolin-2-one","","- C10 H10 I N O -","- C10 H10 I N O -","- C40 H40 I4 N4 O4 -","4","1","GK2630","Zhang, Man; Shen, Yu-Xiang; Fang, Qi; Wang, Lei; Li, Da-Zhi","Crystal structure of 1-ethyl-5-iodoindolin-2-one","Acta Crystallographica Section E","2015","71","6","712","715","10.1107/S2056989015009937","","","0.71073","MoKα","","0.0215","0.0208","","","0.0496","0.0499","","","","","","1.211","","","","has coordinates,has Fobs","137443","2020-10-21","18:00:00",""
"2240810","9.6472","0.0004","9.7084","0.0004","12.2323","0.0005","90","","90","","90","","1145.66","0.08","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1<i>R</i>,4<i>R</i>)-<i>tert</i>-butyl 3-oxo-2-oxa-5-azabicyclo[2.2.2]octane-5-carboxylate","(1<i>R</i>,4<i>R</i>)-<i>tert</i>-butyl 3-oxo-2-oxa-5-azabicyclo[2.2.2]octane-5-carboxylate","","- C11 H17 N O4 -","- C11 H17 N O4 -","- C44 H68 N4 O16 -","4","1","ZS2333","Krishnamurthy, Suvratha; Jalli, Venkataprasad; Vagvala, Tarun Chand; Moriguchi, Tetsuji; Tsuge, Akihiko","Crystal structure of (1<i>R</i>,4<i>R</i>)-<i>tert</i>-butyl 3-oxo-2-oxa-5-azabicyclo[2.2.2]octane-5-carboxylate","Acta Crystallographica Section E","2015","71","7","o449","o450","10.1107/S2056989015010476","","","0.71073","MoKα","","0.0306","0.0299","","","0.0799","0.0807","","","","","","1.025","","","","has coordinates,has Fobs","138441","2020-10-21","18:00:00",""
"2240830","8.5757","0.0007","9.2957","0.0008","22.994","0.002","90","","90","","90","","1833","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","15,16-Epoxy-7β,9α-dihydroxylabdane-13(16),14-dien-6-one","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Singh, Vikram Dev; Kamni; Amina, Musarat; Al-Musayeib, Nawal; Anthal, Sumati; Kant, Rajni","Crystal structure of 15,16-epoxy-7β,9α-dihydroxylabdane-13(16),14-dien-6-one","Acta Crystallographica Section E","2015","71","7","o483","o484","10.1107/S2056989015011214","","","0.71073","MoKα","","0.0849","0.0524","","","0.0991","0.1153","","","","","","1.021","","","","has coordinates,has Fobs","139198","2020-10-21","18:00:00",""
"2240832","12.436","0.007","13.571","0.007","16.159","0.009","90","","90","","90","","2727","3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","16-Hydroxy-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3(2<i>H</i>)-one","","- C30 H48 O2 -","- C30 H48 O2 -","- C120 H192 O8 -","4","1","XU5852","Ge, Jun-Jun; Chen, Pian; Ye, Xiao-Xia","Crystal structure of 16-hydroxy-4,4,10,13,14-pentamethyl-17-(6-methylhept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3(2<i>H</i>)-one","Acta Crystallographica Section E","2015","71","7","o464","o465","10.1107/S2056989015010592","","","0.71073","MoKα","","0.081","0.0584","","","0.1742","0.1976","","","","","","1.083","","","","has coordinates,has Fobs","139200","2020-10-21","18:00:00",""
"2240847","6.2463","0.0002","10.2438","0.0003","23.0533","0.0008","90","","90","","90","","1475.08","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-{[(3,5-Dimethylphenyl)imino]methyl}naphthalen-2-ol","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","SU5133","Abu-Dief, Ahmed M.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago","Crystal structure of (<i>E</i>)-1-{[(3,5-dimethylphenyl)imino]methyl}naphthalen-2-ol","Acta Crystallographica Section E","2015","71","7","o496","o497","10.1107/S2056989015011548","","","1.54184","CuKα","","0.0484","0.0406","","","0.1122","0.1206","","","","","","1.089","","","","has coordinates,has Fobs","139441","2020-10-21","18:00:00",""
"2240868","5.221","0.0002","9.1889","0.0004","22.1559","0.001","90","","90","","90","","1062.93","0.08","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[(<i>L</i>-methionine-κ<i>O</i>)zinc]-μ~3~-(hydrogen phosphato)-κ^3^<i>O</i>:<i>O</i>':<i>O</i>'']","","- C5 H12 N O6 P S Zn -","- C5 H12 N O6 P S Zn -","- C20 H48 N4 O24 P4 S4 Zn4 -","4","1","WM5165","Chouat, Nadjet; Hasnaoui, Mohammed Abdelkrim; Sassi, Mohamed; Bengueddach, Abdelkader; Lusvardi, Gigliola; Cornia, Andrea","Crystal structure of a new homochiral one-dimensional zincophosphate containing <small>L</small>-methionine","Acta Crystallographica Section E","2015","71","7","832","835","10.1107/S2056989015011561","","","0.71073","MoKα","","0.0345","0.0258","","","0.0542","0.0564","","","","","","1.001","","","","has coordinates,has Fobs","139612","2020-10-21","18:00:00",""
"2240883","5.784","0.003","33.713","0.014","4.633","0.003","90","","90","","90","","903.4","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Bromo-7-fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","","- C10 H4 Br F O3 -","- C10 H4 Br F O3 -","- C40 H16 Br4 F4 O12 -","4","1","","Ishikawa, Yoshinobu","Crystal structure of 6-bromo-7-fluoro-4-oxo-4<i>H</i>-chromene-3-carbaldehyde","Acta Crystallographica Section E","2015","71","7","857","860","10.1107/S2056989015011871","","","0.71069","MoKα","","","0.0456","","","","0.1232","","","","","","1.121","","","","has coordinates,has Fobs","139742","2020-10-21","18:00:00",""
"2240886","7.0291","0.0005","10.3313","0.0008","18.9425","0.0014","90","","90","","90","","1375.6","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,9,9-Trimethyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-cyclopenta[<i>b</i>]quinolin-4-ium chloride","","- C15 H22 Cl N -","- C15 H22 Cl N -","- C60 H88 Cl4 N4 -","4","1","","Sridhar, G.; Bilal, I. Mohammed; Easwaramoorthy, D.; Rani, S. Kutti; Solomon, K. Anand","Crystal structure of 3,9,9-trimethyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-cyclopenta[<i>b</i>]quinolin-4-ium chloride","Acta Crystallographica Section E","2015","71","7","o525","o526","10.1107/S2056989015011858","","","0.71073","MoKα","","0.0438","0.0388","","","0.1162","0.123","","","","","","0.945","","","","has coordinates,has Fobs","139745","2020-10-21","18:00:00",""
"2240902","6.2846","0.0001","13.8914","0.0001","19.5592","0.0002","90","","90","","90","","1707.56","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Hydroxymethyl-1,2,3,4-tetrahydroisoquinolin-1-one","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C80 H88 N8 O16 -","8","2","","Caracelli, Ignez; Hino, Camila Lury; Zukerman-Schpector, Julio; Biaggio, Francisco Carlos; Tiekink, Edward R. T.","Crystal structure of 3-hydroxymethyl-1,2,3,4-tetrahydroisoquinolin-1-one","Acta Crystallographica Section E","2015","71","8","o558","o559","10.1107/S2056989015012670","","","1.54184","CuKα","","0.0264","0.0262","","","0.0698","0.0699","","","","","","1.055","","","","has coordinates,has Fobs","140986","2020-10-21","18:00:00",""
"2240907","9.6917","0.0005","16.051","0.0007","18.3549","0.0007","90","","90","","90","","2855.3","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sepaconitine","(1α,14α,16β)-20-Ethyl-8,9,10-trihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-aminobenzoate","","- C30 H42 N2 O8 -","- C30 H42 N2 O8 -","- C120 H168 N8 O32 -","4","1","","Shi, Xin-Wei; Lu, Qiang-Qiang; Zhou, Jun-Hui; Cui, Xin-Ai","Crystal structure of sepaconitine, a C~19~-diterpenoid alkaloid from the roots of <i>Aconitum sinomontanum</i> Nakai","Acta Crystallographica Section E","2015","71","8","o550","o551","10.1107/S205698901501258X","","","1.54178","CuKα","","0.0548","0.0461","","","0.1197","0.1259","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","140991","2020-10-21","18:00:00",""
"2240917","12.248","0.0013","13.3786","0.0014","23.465","0.002","90","","90","","90","","3845","0.7","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diiodidobis[(1<i>S</i>,5<i>S</i>)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κ<i>C</i>^3^]palladium(IV)","","- C38 H56 I2 N4 Pd -","- C38 H56 I2 N4 Pd -","- C152 H224 I8 N16 Pd4 -","4","1","WM5179","Rais, Eduard; Flörke, Ulrich; Wilhelm, René","Crystal structures of diiodidobis[(1<i>S</i>,5<i>S</i>)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κ<i>C</i>^3^]palladium(IV) and dichlorido[(1<i>S</i>,5<i>S</i>)-4-mesityl-1,2,8,8-tetramethyl-2,4-diazabicyclo[3.2.1]octan-3-ylidene-κ<i>C</i>^3^](triphenylphosphane-κ<i>P</i>)palladium(IV)","Acta Crystallographica Section E","2015","71","8","919","922","10.1107/S2056989015013055","","","0.71073","MoKα","","0.033","0.0291","","","0.0591","0.0606","","","","","","1.014","","","","has coordinates,has Fobs","146546","2020-10-21","18:00:00",""
"2240933","11.709","0.0003","13.204","0.0004","35.738","0.0009","90","","90","","90","","5525.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 N2 O7 -","- C30 H42 N2 O7 -","- C240 H336 N16 O56 -","8","2","","Shi, Xin-Wei; Lu, Qiang-Qiang; Zhou, Jun-Hui; Cui, Xin-Ai","Crystal structure of <i>N</i>-deacetyllappaconitine","Acta Crystallographica Section E","2015","71","8","o576","o577","10.1107/S2056989015012335","","","1.54184","CuKα","","0.0455","0.0415","","","0.1078","0.1106","","","","","","1.016","","","","has coordinates,has Fobs","152120","2020-10-21","18:00:00",""
"2240937","8.824","0.0002","21.134","0.0004","26.662","0.0007","90","","90","","90","","4972.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-2,4,6-Tris(2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-yl)cyclotriboroxane","","- C48 H75 B3 Cl6 O3 -","- C48 H75 B3 Cl6 O3 -","- C192 H300 B12 Cl24 O12 -","4","1","IS5406","Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha","Crystal structure of (1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-2,4,6-tris(2,2-dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-yl)cyclotriboroxane","Acta Crystallographica Section E","2015","71","8","941","943","10.1107/S2056989015013390","","","0.71073","MoKα","","0.0573","0.0497","","","0.1172","0.1212","","","","","","1.152","","","","has coordinates,has Fobs","152271","2020-10-21","18:00:00",""
"2240938","10.6756","0.0003","11.5541","0.0003","15.9228","0.0004","90","","90","","90","","1964.03","0.09","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[(1<i>S</i>,2<i>R</i>)-2-Hydroxy-1-methyl-2-phenylethyl]pyrrolidinium 2-amino-5-chlorobenzoate","","- C20 H25 Cl N2 O3 -","- C20 H25 Cl N2 O3 -","- C80 H100 Cl4 N8 O12 -","4","1","HB7464","Li, Yunli; Li, Zhanjun; Hu, Yanjie; Li, Wen","Crystal structure of 1-[(1<i>S</i>,2<i>R</i>)-2-hydroxy-1-methyl-2-phenylethyl]pyrrolidinium 2-amino-5-chlorobenzoate","Acta Crystallographica Section E","2015","71","8","o584","o585","10.1107/S2056989015013389","","","1.54184","CuKα","","0.0504","0.0438","","","0.1129","0.1211","","","","","","1.033","","","","has coordinates,has Fobs","201208","2020-10-21","18:00:00",""
"2240939","26.504","0.002","6.3668","0.0005","7.604","0.0006","90","","90","","90","","1283.14","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Stefani, Hélio A.; Ali, Bakhat; Tiekink, Edward R. T.","Crystal structure of 1-benzyl-2-hydroxy-5-oxopyrrolidin-3-yl acetate","Acta Crystallographica Section E","2015","71","8","o582","o583","10.1107/S2056989015013353","","","0.71073","MoKα","","0.0363","0.0338","","","0.0911","0.0934","","","","","","1.058","","","","has coordinates,has Fobs","152273","2020-10-21","18:00:00",""
"2240943","8.3169","0.0004","13.8064","0.0006","19.9243","0.0009","90","","90","","90","","2287.84","0.18","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","preaustinoid A1","(5a<i>R</i>,7a<i>S</i>,8<i>R</i>,10<i>S</i>,12<i>R</i>,13a<i>R</i>,13b<i>S</i>)-Methyl 10-hydroxy-5,5,7a,10,12,13b-hexamethyl-14-methylene-3,9,11-trioxohexadecahydro-8,12-methanocycloocta[3,4]benzo[1,2-<i>c</i>]oxepine-8-carboxylate","","- C26 H36 O7 -","- C26 H36 O7 -","- C104 H144 O28 -","4","1","","Stierle, Andrea; Stierle, Donald; Decato, Daniel","Crystal structure and absolute configuration of preaustinoid A1","Acta Crystallographica Section E","2015","71","8","o596","o597","10.1107/S2056989015013614","","","1.54178","CuKα","","0.0611","0.0566","","","0.1183","0.1203","","","","","","1.165","","","","has coordinates,has Fobs","152445","2020-10-21","18:00:00",""
"2240961","10.2867","0.0004","17.0328","0.0007","26.8808","0.0011","90","","90","","90","","4709.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Zn CbzMOF - MeOH","Poly[[[μ~4~-5-(9<i>H</i>-carbazol-9-yl)isophthalato][μ~3~-5-(9<i>H</i>-carbazol-9-yl)isophthalato]bis(dimethylformamide)(methanol)dizinc] dimethylformamide monosolvate]","","- C50 H47 N5 O12 Zn2 -","- C50 H47 N5 O12 Zn2 -","- C200 H188 N20 O48 Zn8 -","4","1","WM5180","Lifshits, Liubov M.; Campana, Charles; Klosterman, Jeremy K.","Crystal structure of poly[[[μ~4~-5-(9<i>H</i>-carbazol-9-yl)isophthalato][μ~3~-5-(9<i>H</i>-carbazol-9-yl)isophthalato]bis(dimethylformamide)(methanol)dizinc] dimethylformamide monosolvate]","Acta Crystallographica Section E","2015","71","8","m152","m153","10.1107/S2056989015013961","","","1.54178","CuKα","","0.0189","0.0188","","","0.0451","0.0452","","","","","","1.08","","","","has coordinates,has Fobs","153018","2020-10-21","18:00:00",""
"2240988","6.123","0.0013","7.5163","0.0017","23.347","0.005","90","","90","","90","","1074.5","0.4","293.15","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3a<i>S</i>,4<i>S</i>,5<i>R</i>,7a<i>R</i>)-2,2,7-Trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Macías, Mario A.; Suescun, Leopoldo; Pandolfi, Enrique; Schapiro, Valeria; Tibhe, Gaurao D.; Mombrú, Álvaro W.","Crystal structure and absolute configuration of (3a<i>S</i>,4<i>S</i>,5<i>R</i>,7a<i>R</i>)-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol","Acta Crystallographica Section E","2015","71","9","1013","1016","10.1107/S2056989015014590","","","1.54178","CuKα","","0.0295","0.0294","","","0.0775","0.0776","","","","","","1.176","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2241005","12.3444","0.0001","22.7302","0.0001","28.214","0.0002","90","","90","","90","","7916.59","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis[(phenylmethanamine-κ<i>N</i>)(phthalocyaninato-κ^4^<i>N</i>)zinc] phenylmethanamine trisolvate","","- C99 H77 N21 Zn2 -","- C99 H77 N21 Zn2 -","- C396 H308 N84 Zn8 -","4","1","HB7468","Shamsudin, Norzianah; Tan, Ai Ling; Wimmer, Franz L.; Young, David J.; Tiekink, Edward R. T.","Crystal structure of bis[(phenylmethanamine-κ<i>N</i>)(phthalocyaninato-κ^4^<i>N</i>)zinc] phenylmethanamine trisolvate","Acta Crystallographica Section E","2015","71","9","1026","1031","10.1107/S2056989015014280","","","1.54184","CuKα","","0.0431","0.0421","","","0.1129","0.114","","","","","","1.048","","","","has coordinates,has Fobs","153392","2020-10-21","18:00:00",""
"2241034","5.2996","0.0005","9.0053","0.0007","23.211","0.002","90","","90","","90","","1107.73","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(β-Carboxyethyl)-α-isoleucine","(2<i>S</i>,3<i>S</i>)-2-[(2-Carbamoylethyl)azaniumyl]-3-methylpentanoate","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C36 H72 N8 O12 -","4","1","","Chandrarekha, M.; Srinivasan, N.; Krishnakumar, R. V.","Redetermined crystal structure of <i>N</i>-(β-carboxyethyl)-α-isoleucine","Acta Crystallographica Section E","2015","71","9","o665","o666","10.1107/S2056989015014498","","","0.71073","MoKα","","0.0624","0.0423","","","0.0934","0.1015","","","","","","1.084","","","","has coordinates,has Fobs","153594","2020-10-21","18:00:00",""
"2241039","4.136","0.005","13.916","0.005","17.194","0.005","90","","90","","90","","989.6","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,6-dinitro-1,3,5-trimethylbenzene","1,3,5-Trimethyl-2,4-dinitrobenzene","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C36 H40 N8 O16 -","4","1","","Brihi, Ouarda; Hamdouni, Noudjoud; Boudjada, Ali; Meinnel, Jean","Crystal structure of 1,3,5-trimethyl-2,4-dinitrobenzene","Acta Crystallographica Section E","2015","71","9","o670","o671","10.1107/S2056989015014243","","","0.71073","MoKα","","0.123","0.0534","","","0.0887","0.1131","","","","","","0.932","","","","has coordinates,has Fobs","153599","2020-10-21","18:00:00",""
"2241066","6.7079","0.0004","12.9125","0.0009","15.4499","0.0011","90","","90","","90","","1338.2","0.16","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[[μ~2~-diaqua-diaqua-μ~2~-<i>L</i>-proline-κ^2^<i>O</i>:<i>O</i>'-\ strontium] dibromide]","","- C5 H17 Br2 N O6 Sr -","- C5 H17 Br2 N O6 Sr -","- C20 H68 Br8 N4 O24 Sr4 -","4","1","ZS2346","Sathiskumar, Selladurai; Balakrishnan, Thangavelu; Ramamurthi, Kandasamy; Thamotharan, Subbiah","Crystal structure of poly[[μ~2~-diaqua-diaqua-μ~2~-<small>L</small>-proline-κ^2^<i>O</i>:<i>O</i>'-strontium] dibromide]","Acta Crystallographica Section E","2015","71","10","1199","1202","10.1107/S2056989015017302","","","0.71073","MoKα","","0.0425","0.0315","","","0.0589","0.0627","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","158322","2020-10-21","18:00:00",""
"2241076","11.7943","0.0006","13.5934","0.0007","19.2988","0.0011","90","","90","","90","","3094.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>*,4<i>S</i>*,4a<i>S</i>*,5<i>R</i>*,6<i>R</i>*,6a<i>S</i>*,7<i>R</i>*,11a<i>S</i>*,11b<i>R</i>*)-5,6-Bis(benzoyloxy)-3,4a-dihydroxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-<i>b</i>]furan-4-carboxylic acid methanol monosolvate","","- C35 H40 O10 -","- C35 H40 O10 -","- C140 H160 O40 -","4","1","IS5414","Siddiqui, Sadaf; Erharuyi, Osayemwenre; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure of (3<i>S</i>*,4<i>S</i>*,4a<i>S</i>*,5<i>R</i>*,6<i>R</i>*,6a<i>S</i>*,7<i>R</i>*,11a<i>S</i>*,11b<i>R</i>*)-5,6-bis(benzoyloxy)-3,4a-dihydroxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-<i>b</i>]furan-4-carboxylic acid methanol monosolvate","Acta Crystallographica Section E","2015","71","10","o739","o740","10.1107/S2056989015016461","","","0.71073","MoKα","","0.0758","0.0518","","","0.1244","0.139","","","","","","1.03","","","","has coordinates,has Fobs","158330","2020-10-21","18:00:00",""
"2241087","7.3912","0.0014","9.7002","0.0017","19.727","0.004","90","","90","","90","","1414.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[(2<i>S</i>,3<i>R</i>)-3-Hydroxy-3-phenylbutan-2-yl]pyrrolidinium chloride","","- C14 H22 Cl N O -","- C14 H22 Cl N O -","- C56 H88 Cl4 N4 O4 -","4","1","HB7497","Kandhaswamy, Abirami; Meena, K.S.; Deepa, S.; Murugavel, S.","Crystal structure of [(2<i>S</i>,3<i>R</i>)-3-hydroxy-3-phenylbutan-2-yl]pyrrolidinium chloride","Acta Crystallographica Section E","2015","71","10","o758","","10.1107/S2056989015016916","","","0.71073","MoKα","","0.0514","0.0417","","","0.1007","0.1073","","","","","","1.023","","","","has coordinates,has Fobs","158341","2020-10-21","18:00:00",""
"2241100","5.9731","0.0013","14.948","0.003","16.127","0.003","90","","90","","90","","1439.9","0.5","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","8-[(1<i>S</i>)-1-Phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decan-7-thione","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C60 H76 N4 O8 S4 -","4","1","XU5868","Romero, Nancy; Bernès, Sylvain; Roa, Luis F.; Terán, Joel L.; Gnecco, Dino","Crystal structures of two chiral piperidine derivatives: 1-[(1<i>R</i>)-2-hydroxy-1-phenylethyl]piperidin-4-one and 8-[(1<i>S</i>)-1-phenylethyl]-1,4-dioxa-8-azaspiro[4.5]decan-7-thione","Acta Crystallographica Section E","2015","71","10","1207","1211","10.1107/S2056989015017119","","","0.71073","MoKα","","0.0624","0.0438","","","0.108","0.1203","","","","","","1.056","","","","has coordinates,has Fobs","158355","2020-10-21","18:00:00",""
"2241126","6.5702","0.0004","10.8637","0.0007","14.4964","0.001","90","","90","","90","","1034.7","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Amino-<i>N</i>-phenyl-3<i>H</i>-1,2,4-dithiazol-3-iminium chloride","","- C8 H8 Cl N3 S2 -","- C8 H8 Cl N3 S2 -","- C32 H32 Cl4 N12 S8 -","4","1","HB7500","Yeo, Chien Ing; Tan, Yee Seng; Tiekink, Edward R. T.","Crystal structures of 5-amino-<i>N</i>-phenyl-3<i>H</i>-1,2,4-dithiazol-3-iminium chloride and 5-amino-<i>N</i>-(4-chlorophenyl)-3<i>H</i>-1,2,4-dithiazol-3-iminium chloride monohydrate","Acta Crystallographica Section E","2015","71","10","1159","1164","10.1107/S2056989015016655","","","0.71073","MoKα","","0.0317","0.0276","","","0.0564","0.0581","","","","","","1.066","","","","has coordinates,has Fobs","158377","2020-10-21","18:00:00",""
"2241130","8.1986","0.0004","9.7128","0.0004","24.4172","0.0012","90","","90","","90","","1944.37","0.16","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Diethylamino-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","","- C21 H29 N3 O -","- C21 H29 N3 O -","- C84 H116 N12 O4 -","4","1","RK2432","Rani, C. Vidya; Chakkaravarthi, G.; Gandhi, N. Indra; Rajagopal, G.","Crystal structure of 5-diethylamino-2-({[4-(diethylamino)phenyl]imino}methyl)phenol","Acta Crystallographica Section E","2015","71","10","o712","o713","10.1107/S205698901501645X","","","0.71073","MoKα","","0.1229","0.0638","","","0.163","0.2047","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","158380","2020-10-21","18:00:00",""
"2241142","7.1675","0.0008","11.2654","0.0013","18.144","0.002","90","","90","","90","","1465","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3a,6,6,9a-Tetramethyldodecahydronaphtho[2,1-<i>b</i>]furan-2-ol","","- C16 H28 O2 -","- C16 H28 O2 -","- C64 H112 O8 -","4","1","","Shi, Xin-Wei; Li, Sheng-Kun; Li, Dang-Dang; Lu, Qiang-Qiang","Crystal structure of 3a,6,6,9a-tetramethyldodecahydronaphtho[2,1-<i>b</i>]furan-2-ol","Acta Crystallographica Section E","2015","71","10","o710","o711","10.1107/S2056989015016370","","","0.71073","MoKα","","0.0545","0.0462","","","0.1206","0.1272","","","","","","1.075","","","","has coordinates,has Fobs","158391","2020-10-21","18:00:00",""
"2241164","26.223","0.005","5.923","0.0012","14.493","0.003","90","","90","","90","","2251","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10<i>a</i>-dodecahydro\ phenanthrene-1-carboxylic acid phenylamide","","- C26 H37 N O -","- C26 H37 N O -","- C104 H148 N4 O4 -","4","1","TK5389","Liu, Li; Yan, Xin-Yan; Rao, Xiao-Ping","Crystal structure of 7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10<i>a</i>-dodecahydrophenanthrene-1-carboxylic acid phenylamide","Acta Crystallographica Section E","2015","71","10","o801","o802","10.1107/S2056989015017648","","","0.71073","MoKα","","0.1702","0.0785","","","0.1473","0.1929","","","","","","1.006","","","","has coordinates,has Fobs","209312","2020-10-21","18:00:00",""
"2241209","4.8614","0.0004","13.822","0.0015","21.755","0.002","90","","90","","90","","1461.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-1-(1-Benzofuran-2-yl)-3-(2-bromophenyl)prop-2-en-1-one monohydrate","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","SU5214","Satheeshchandra, S.; Shetty, Nandakumar","Crystal structure of (2<i>E</i>)-1-(1-benzofuran-2-yl)-3-(2-bromophenyl)prop-2-en-1-one monohydrate","Acta Crystallographica Section E","2015","71","11","o840","o841","10.1107/S2056989015018897","","","0.71073","MoKα","","0.0956","0.0419","","","0.0881","0.1024","","","","","","1.007","","","","has coordinates,has Fobs","167936","2020-10-21","18:00:00",""
"2241233","7.0974","0.0004","8.0898","0.0004","26.9429","0.0015","90","","90","","90","","1546.97","0.14","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Diethyl (<i>E</i>)-2-[(1-benzofuran-2-yl)methylidene]succinate","","- C17 H18 O5 -","- C17 H18 O5 -","- C68 H72 O20 -","4","1","","Schirmer, Marie-Luis; Spannenberg, Anke; Werner, Thomas","Crystal structure of diethyl (<i>E</i>)-2-[(benzofuran-2-yl)methylidene]succinate","Acta Crystallographica Section E","2015","71","11","o872","","10.1107/S2056989015019313","","","0.71073","MoKα","","0.0403","0.0353","","","0.0841","0.0866","","","","","","1.028","","","","has coordinates,has Fobs","169829","2020-10-21","18:00:00",""
"2241274","5.0464","0.0004","9.9752","0.0008","21.4701","0.0017","90","","90","","90","","1080.78","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Benzenesulfonamido-3-hydroxypropanoic acid","","- C9 H11 N O5 S -","- C9 H11 N O5 S -","- C36 H44 N4 O20 S4 -","4","1","HB7530","Jabeen, Nabila; Mushtaq, Misbah; Danish, Muhammad; Tahir, Muhammad Nawaz; Raza, Muhammad Asam","Crystal structure of 2-benzenesulfonamido-3-hydroxypropanoic acid","Acta Crystallographica Section E","2015","71","11","o902","o903","10.1107/S2056989015020149","","","0.71073","MoKα","","0.0532","0.0419","","","0.0878","0.0934","","","","","","1.03","","","","has coordinates,has Fobs","169997","2020-10-21","18:00:00",""
"2241279","9.4918","0.0007","13.2348","0.0012","14.6691","0.0012","90","","90","","90","","1842.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-(1<i>S</i>,3<i>R</i>)-(3-Isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide","","- C17 H24 N2 O3 S -","- C17 H24 N2 O3 S -","- C68 H96 N8 O12 S4 -","4","1","","Tymann, David; Dragon, Dina Christina; Golz, Christopher; Preut, Hans; Strohmann, Carsten; Hiersemann, Martin","Crystal structure of <i>N</i>'-[(<i>E</i>)-(1<i>S</i>,3<i>R</i>)-(3-isopropyl-1-methyl-2-oxocyclopentyl)methylidene]-4-methylbenzenesulfonohydrazide","Acta Crystallographica Section E","2015","71","12","o904","o905","10.1107/S2056989015020307","","","0.71073","MoKα","","0.0567","0.0424","","","0.087","0.0927","","","","","","1.053","","","","has coordinates,has Fobs","170164","2020-10-21","18:00:00",""
"2241310","7.217","0.0005","12.9467","0.001","19.3006","0.0014","90","","90","","90","","1803.4","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,4-Dinitrophenyl)-3,5-diphenyl-1<i>H</i>-pyrazole","","- C21 H14 N4 O4 -","- C21 H14 N4 O4 -","- C84 H56 N16 O16 -","4","1","QM2114","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Albayati, Mustafa R.; Mohamed, Alaa F.","Crystal structure of 1-(2,4-dinitrophenyl)-3,5-diphenyl-1<i>H</i>-pyrazole","Acta Crystallographica Section E","2015","71","12","o931","o932","10.1107/S2056989015021350","","","0.71073","MoKα","","0.0669","0.0421","","","0.0888","0.0964","","","","","","1.029","","","","has coordinates,has Fobs","170322","2020-10-21","18:00:00",""
"2241345","6.4876","0.0006","6.6364","0.0005","20.1224","0.0016","90","","90","","90","","866.36","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1<i>S</i>,2<i>R</i>,6<i>R</i>,8<i>R</i>,9<i>S</i>)-3,5,7,10,12-\ Pentaoxatricyclo[7.3.0.0^2,6^]dodecan-8-ylmethanol","1,2,3,4-di-<i>O</i>-Methylene-α-<i>D</i>-galactopyranose","","- C8 H12 O6 -","- C8 H12 O6 -","- C32 H48 O24 -","4","1","ZL2651","Tiritiris, Ioannis; Tussetschläger, Stefan; Kantlehner, Willi","Crystal structure of 1,2,3,4-di-<i>O</i>-methylene-α-<small>D</small>-galactopyranose","Acta Crystallographica Section E","2015","71","12","o961","o962","10.1107/S2056989015021854","","","0.71073","MoKα","","0.0333","0.0291","","","0.0726","0.0745","","","","","","1.057","","","","has coordinates,has Fobs","170462","2020-10-21","18:00:00",""
"2241348","8.973","0.004","13.52","0.006","21.251","0.009","90","","90","","90","","2578","2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","10a-Hydroxy-9-(3-nitrophenyl)-3,6-diphenyl-3,4,5,6,7,8a,9,10a-octahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","","- C31 H27 N O6 -","- C31 H27 N O6 -","- C124 H108 N4 O24 -","4","1","","Zhang, Xin-Yuan; Hu, Bing-Xiang; Zhou, Ze-Yu; Zhou, Lei; Wang, Fang-Ming","Crystal structure of 10a-hydroxy-9-(3-nitrophenyl)-3,6-diphenyl-3,4,5,6,7,8a,9,10a-octahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","Acta Crystallographica Section E","2015","71","12","1510","1512","10.1107/S2056989015021246","","","0.71073","MoKα","","0.062","0.0438","","","0.1161","0.1253","","","","","","1.032","","","","has coordinates,has Fobs","170465","2020-10-21","18:00:00",""
"2241352","6.5215","0.0004","10.0202","0.0006","23.366","0.0015","90","","90","","90","","1526.89","0.16","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(1<i>S</i>,2<i>S</i>)-2-Aminocyclohexyl]-2,4,6-trimethylbenzenesulfonamide","","- C15 H24 N2 O2 S -","- C15 H24 N2 O2 S -","- C60 H96 N8 O8 S4 -","4","1","GK2646","Ngassa, Felix N.; Biros, Shannon M.; Staples, Richard J.","Crystal structure of <i>N</i>-[(1<i>S</i>,2<i>S</i>)-2-aminocyclohexyl]-2,4,6-trimethylbenzenesulfonamide","Acta Crystallographica Section E","2015","71","12","1521","1524","10.1107/S205698901502191X","","","0.71073","MoKα","","0.0305","0.0287","","","0.0695","0.0708","","","","","","1.059","","","","has coordinates,has Fobs","170469","2020-10-21","18:00:00",""
"2241357","9.9849","0.0006","11.5293","0.0007","21.198","0.0012","90","","90","","90","","2440.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1-Ethoxyethylidene)dimethylazanium tetraphenylborate","","- C30 H34 B N O -","- C30 H34 B N O -","- C120 H136 B4 N4 O4 -","4","1","ZL2652","Tiritiris, Ioannis; Saur, Stefan; Kantlehner, Willi","Crystal structure of (1-ethoxyethylidene)dimethylazanium tetraphenylborate","Acta Crystallographica Section E","2015","71","12","o984","o985","10.1107/S2056989015022252","","","0.71073","MoKα","","0.0428","0.0368","","","0.091","0.0948","","","","","","1.032","","","","has coordinates,has Fobs","170528","2020-10-21","18:00:00",""
"2241365","5.7853","0.0003","8.9442","0.0005","14.3528","0.0008","90","","90","","90","","742.68","0.07","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-Deoxy-α-<i>L</i>-psicofuranose","","- C6 H12 O5 -","- C6 H12 O5 -","- C24 H48 O20 -","4","1","IS5433","Yoshihara, Akihide; Ishii, Tomohiko; Kamakura, Tatsuya; Taguchi, Hiroaki; Fukada, Kazuhiro","Crystal structure of 6-deoxy-α-<small>L</small>-psicofuranose","Acta Crystallographica Section E","2015","71","12","o993","o994","10.1107/S2056989015022215","","","1.54187","CuKα","","0.0274","0.0267","","","0.0649","0.0654","","","","","","1.078","","","","has coordinates,has Fobs","170599","2020-10-21","18:00:00",""
"2241375","9.5276","0.0002","10.003","0.0002","21.9495","0.0007","90","","90","","90","","2091.89","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-<i>O</i>-Benzyl-4(<i>R</i>)-<i>C</i>-(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)-1,2-<i>O</i>-isopropylidene-α-<i>D</i>-erythrofuranose","","- C23 H25 N3 O4 -","- C23 H25 N3 O4 -","- C92 H100 N12 O16 -","4","1","SU5245","Semjonovs, Nikita; Rjabovs, Vitalijs; Stepanovs, Dmitrijs; Turks, Maris","Crystal structure of 3-<i>O</i>-benzyl-4(<i>R</i>)-<i>C</i>-(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)-1,2-<i>O</i>-isopropylidene-α-<small>D</small>-erythrofuranose","Acta Crystallographica Section E","2015","71","12","1542","1544","10.1107/S2056989015022434","","","0.71073","MoKα","","0.1217","0.0534","","","0.0887","0.106","","","","","","1.021","","","","has coordinates,has Fobs","170607","2020-10-21","18:00:00",""
"2241421","5.6392","0.0002","11.0427","0.0005","26.6311","0.0013","90","","90","","90","","1658.37","0.13","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(±)-(1a<i>R</i>,1b<i>S</i>,4a<i>R</i>,5<i>S</i>,5a<i>R</i>)-5-Benzyloxy-5-methyl-5a-phenylhexahydro-2<i>H</i>-oxireno[2',3':3,4]cyclopenta[1,2-<i>c</i>]furan","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","GK2648","Jones, Alan M.; Storey, John M. D.; Harrison, William T. A.","Investigations into the construction of the pentasubstituted ring <i>C</i> of Neosurugatoxin ‒ a crystallographic study","Acta Crystallographica Section E","2016","72","1","44","48","10.1107/S2056989015023506","","","0.71073","MoKα","","0.1399","0.1232","","","0.2713","0.2793","","","","","","1.174","","","","has coordinates,has disorder,has Fobs","176630","2020-10-21","18:00:00",""
"2241460","5.0215","0.0004","9.8852","0.001","17.7668","0.0014","90","","90","","90","","881.92","0.13","100","2","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-(3-Oxobutanoyl)-<i>L</i>-homoserine lactone","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","LD2139","Newberry, R.W.; Raines, R.T.","Crystal structure of <i>N</i>-(3-oxobutanoyl)-<small>L</small>-homoserine lactone","Acta Crystallographica Section E","2016","72","2","136","139","10.1107/S2056989015024913","","","1.54178","CuKα","","0.0273","0.0264","","","0.0662","0.0671","","","","","","1.043","","","","has coordinates,has Fobs","174444","2020-10-21","18:00:00",""
"2241466","11.3373","0.0004","12.6936","0.0005","21.9616","0.0008","90","","90","","90","","3160.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-<i>tert</i>-Butyl-10,15,20-triphenylporphyrin","","- C42 H34 N4 -","- C42 H34 N4 -","- C168 H136 N16 -","4","1","","Flanagan, Keith J.; Mothi, Ebrahim Mohamed; Kötzner, Lisa; Senge, Mathias O.","Crystal structure of 5-<i>tert</i>-butyl-10,15,20-triphenylporphyrin","Acta Crystallographica Section E","2016","72","2","128","132","10.1107/S2056989016000025","","","0.71073","MoKα","","0.04","0.0375","","","0.1035","0.1058","","","","","","1.063","","","","has coordinates,has Fobs","174448","2020-10-21","18:00:00",""
"2241471","6.184","0.0003","9.6495","0.0004","23.1111","0.001","90","","90","","90","","1379.1","0.11","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-5-(3-Bromo-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione","","- C13 H15 Br N2 O3 -","- C13 H15 Br N2 O3 -","- C52 H60 Br4 N8 O12 -","4","1","SJ5484","Ohba, Shigeru; Koura, Minoru; Sumida, Hisashi; Shibuya, Kimiyuki","Crystal structures of (<i>S</i>)-(+)-5-(3-bromo/chloro-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione","Acta Crystallographica Section E","2016","72","2","184","187","10.1107/S2056989015023014","","","0.71073","MoKα","","0.018","0.0173","","","0.0469","0.0474","","","","","","1.294","","","","has coordinates","174534","2020-10-21","18:00:00",""
"2241472","7.1397","0.0003","10.0128","0.0004","20.0431","0.0008","90","","90","","90","","1432.85","0.1","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-5-(3-Chloro-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione","","- C13 H15 Cl N2 O3 -","- C13 H15 Cl N2 O3 -","- C52 H60 Cl4 N8 O12 -","4","1","SJ5484","Ohba, Shigeru; Koura, Minoru; Sumida, Hisashi; Shibuya, Kimiyuki","Crystal structures of (<i>S</i>)-(+)-5-(3-bromo/chloro-4-isopropoxyphenyl)-5-methylimidazolidine-2,4-dione","Acta Crystallographica Section E","2016","72","2","184","187","10.1107/S2056989015023014","","","0.71073","MoKα","","0.0279","0.0272","","","0.079","0.0793","","","","","","1.68","","","","has coordinates","174534","2020-10-21","18:00:00",""
"2241486","9.1809","0.0014","9.2384","0.0015","18.577","0.003","90","","90","","90","","1575.6","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Methyl (2<i>R</i>,3<i>S</i>)-3-[(<i>tert</i>-butylsulfinyl)amino]-2-fluoro-3-phenylpropanoate","","- C14 H20 F N O3 S -","- C14 H20 F N O3 S -","- C56 H80 F4 N4 O12 S4 -","4","1","","Zhao, Zhiwei; Fan, Wenqiang; Zhang, Yixiang; Li, Ya","Crystal structure of methyl (2<i>R</i>,3<i>S</i>)-3-[(<i>tert</i>-butylsulfinyl)amino]-2-fluoro-3-phenylpropanoate","Acta Crystallographica Section E","2015","71","12","o1055","o1056","10.1107/S2056989015023580","","","0.71073","MoKα","","0.0363","0.0325","","","0.0849","0.0878","","","","","","1.039","","","","has coordinates,has Fobs","174736","2020-10-21","18:00:00",""
"2241515","6.8841","0.0001","12.2326","0.0002","20.1911","0.0004","90","","90","","90","","1700.3","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methyl-<i>N</i>-{(<i>E</i>)-methyl[(3a<i>R</i>,8a<i>S</i>)-2-oxo-\ 3,3a,8,8a-tetrahydro-2<i>H</i>-indeno[1,2-<i>d</i>][1,3]oxazol-3-yl]-\ λ^4^-sulfanylidene}benzenesulfonamide","","- C18 H18 N2 O4 S2 -","- C18 H18 N2 O4 S2 -","- C72 H72 N8 O16 S8 -","4","1","NK2234","Pereira, Patrícia A.; Noll, Bruce C.; Oliver, Allen G.; Silveira, Gustavo P.","Crystal structure of 4-methyl-<i>N</i>-{(<i>E</i>)-methyl[(3a<i>R</i>,8a<i>S</i>)-2-oxo-3,3a,8,8a-tetrahydro-2<i>H</i>-indeno[1,2-<i>d</i>][1,3]oxazol-3-yl]-λ^4^-sulfanylidene}benzenesulfonamide","Acta Crystallographica Section E","2015","71","12","o1097","o1098","10.1107/S2056989015024779","","","1.54178","CuKα","","0.0282","0.028","","","0.0701","0.0703","","","","","","1.113","","","","has coordinates,has Fobs","174768","2020-10-21","18:00:00",""
"2241533","5.8831","0.0001","12.9095","0.0004","18.5655","0.0005","90","","90","","90","","1410.01","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>R</i>)-6,6-Dimethyl-4,8-dioxo-2-phenylspiro[2.5]octane-1-carbaldehyde","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","SU5275","Chelli, Saloua; Troshin, Konstantin; Lakhdar, Sami; Mayr, Herbert; Mayer, Peter","Crystal structure of (1<i>S</i>,2<i>R</i>)-6,6-dimethyl-4,8-dioxo-2-phenylspiro[2.5]octane-1-carbaldehyde","Acta Crystallographica Section E","2016","72","2","266","268","10.1107/S205698901600164X","","","0.71073","MoKα","","0.0511","0.0369","","","0.0791","0.085","","","","","","1.054","","","","has coordinates,has Fobs","175339","2020-10-21","18:00:00",""
"2241549","5.5044","0.0002","12.6144","0.0004","21.6348","0.0009","90","","90","","90","","1502.21","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3a<i>R</i>,5<i>S</i>,6<i>R</i>,6a<i>R</i>)-5-[(<i>R</i>)-2,2-Dimethyl-1,3-\ dioxolan-4-yl]-2,2-dimethyl-6-(nitromethyl)tetrahydrofuro[2,3-<i>d</i>][1,3]\ dioxole","","- C13 H21 N O7 -","- C13 H21 N O7 -","- C52 H84 N4 O28 -","4","1","SU5270","Lugiņina, Jevgeņija; Rjabovs, Vitālijs; Stepanovs, Dmitrijs","Crystal structure of 3-deoxy-3-nitromethyl-1,2;5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-allofuranose","Acta Crystallographica Section E","2016","72","3","314","317","10.1107/S2056989016001845","","","0.71073","MoKα","","0.1482","0.065","","","0.1045","0.1272","","","","","","1.012","","","","has coordinates,has Fobs","176363","2020-10-21","18:00:00",""
"2241568","7.3587","0.0005","13.225","0.001","17.5445","0.0013","90","","90","","90","","1707.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Cyclohexyl-1-(2-phenyl-1<i>H</i>-indol-3-yl)ethanone","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","XU5883","Kerr, Jamie R.; Trembleau, Laurent; Storey, John M. D.; Wardell, James L.; Harrison, William T. A.","Crystal structures of four indole derivatives with a phenyl substituent at the 2-position and a carbonyl group at the 3-position: the <i>C</i>(6) N—H···O chain remains the same, but the weak reinforcing interactions are different","Acta Crystallographica Section E","2016","72","3","363","369","10.1107/S2056989016002620","","","0.71075","MoKα","","0.0793","0.0511","","","0.089","0.0995","","","","","","1.205","","","","has coordinates,has Fobs","176803","2020-10-21","18:00:00",""
"2241571","8.0986","0.0004","12.9213","0.0006","13.7344","0.0007","90","","90","","90","","1437.23","0.12","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-Aza-8-azoniabicyclo[5.4.0]undec-7-ene 4-aminobenzoate","","- C16 H23 N3 O2 -","- C16 H23 N3 O2 -","- C64 H92 N12 O8 -","4","1","PK2574","Smith, Graham; Lynch, Daniel E.","Crystal structures of three anhydrous salts of the Lewis base 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) with the ring-substituted benzoic acid analogues 4-aminobenzoic acid, 3,5-dinitrobenzoic acid and 3,5-dinitrosalicylic acid","Acta Crystallographica Section E","2016","72","3","382","386","10.1107/S205698901600267X","","","0.71073","MoKα","","0.055","0.0436","","","0.0887","0.0977","","","","","","1.067","","","","has coordinates,has Fobs","176804","2020-10-21","18:00:00",""
"2241593","8.3365","0.0017","10.453","0.002","19.03","0.004","90","","90","","90","","1658.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly[(4-aminopyridine-κ<i>N</i>)(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)(μ~3~-pyridine-3,5-dicarboxylato-κ^3^<i>N</i>:<i>O</i>^3^:<i>O</i>^5^)copper(II)]","","- C15 H16 Cu N4 O5 -","- C15 H16 Cu N4 O5 -","- C60 H64 Cu4 N16 O20 -","4","1","LH5806","Shen, Cheng-Chen; Hua, Xiu-Ni; Han, Lei","Crystal structure of poly[(4-aminopyridine-κ<i>N</i>)(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)(μ~3~-pyridine-3,5-dicarboxylato-κ^3^<i>N</i>:<i>O</i>^3^:<i>O</i>^5^)copper(II)]","Acta Crystallographica Section E","2016","72","4","440","443","10.1107/S205698901600342X","","","0.71073","MoKα","","0.0635","0.0385","","","0.0868","0.1322","","","","","","1.145","","","","has coordinates,has Fobs","177596","2020-10-21","18:00:00",""
"2241621","7.1229","0.0005","7.2913","0.0007","22.6098","0.0018","90","","90","","90","","1174.24","0.17","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>fac</i>-Aquatricarbonyl[(<i>S</i>)-valinato-\ κ^2^<i>N</i>,<i>O</i>]rhenium(I)","","- C8 H12 N O6 Re -","- C8 H12 N O6 Re -","- C32 H48 N4 O24 Re4 -","4","1","WM5283","Piletska, Kseniia O.; Domasevitch, Kostiantyn V.; Shtemenko, Alexander V.","Crystal structure of <i>fac</i>-aquatricarbonyl[(<i>S</i>)-valinato-κ^2^<i>N</i>,<i>O</i>]rhenium(I)","Acta Crystallographica Section E","2016","72","4","590","592","10.1107/S2056989016005235","","","0.71073","MoKα","","0.0265","0.0219","","","0.0464","0.0473","","","","","","0.993","","","","has coordinates,has Fobs","180663","2020-10-21","18:00:00",""
"2241625","7.5315","0.0003","15.564","0.0008","17.3901","0.0008","90","","90","","90","","2038.47","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Isoquinolinium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate","","- C21 H17 N5 O7 -","- C21 H17 N5 O7 -","- C84 H68 N20 O28 -","4","1","CV5504","Poornima Devi, Ponnusamy; Kalaivani, Doraisamyraja","Isoquinolinium 5-(2,4-dinitrophenyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate: crystal structure, Hirshfeld surface analysis and pharmacological evaluation","Acta Crystallographica Section E","2016","72","4","570","574","10.1107/S2056989016005004","","","0.71073","MoKα","","0.0838","0.0552","","","0.1332","0.1639","","","","","","1.105","","","","has coordinates,has Fobs","180668","2020-10-21","18:00:00",""
"2241635","11.6395","0.0005","19.0487","0.0006","20.4977","0.0007","90","","90","","90","","4544.7","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Levomepromazine-maleate","(-)-(<i>S</i>)-3-(2-Methoxyphenothiazin-10-yl)-<i>N</i>,<i>N</i>,2-trimethylpropanaminium hydrogen maleate","","- C23 H28 N2 O5 S -","- C23 H28 N2 O5 S -","- C184 H224 N16 O40 S8 -","8","2","GK2652","Gál, Gyula Tamás; May, Nóra Veronika; Bombicz, Petra","Crystal structure of levomepromazine maleate","Acta Crystallographica Section E","2016","72","5","612","615","10.1107/S2056989016004916","","","0.71073","MoKα","","0.0602","0.0491","","","0.1244","0.1326","","","","","","1.049","","","","has coordinates,has Fobs","181822","2020-10-21","18:00:00",""
"2241659","8.4259","0.0004","11.4264","0.0007","45.706","0.002","90","","90","","90","","4400.5","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","canagliflozin","(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>,6<i>R</i>)-2-(3-{[5-(4-Fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)-3,4,5,6-tetrahydro-2<i>H</i>-pyran-3,4,5-triol hemihydrate","","- C24 H26 F O5.5 S -","- C24 H26 F O5.5 S -","- C192 H208 F8 O44 S8 -","8","2","XU5886","Liu, Kai-Hang; Gu, Jian-Ming; Hu, Xiu-Rong; Tang, Gu-Ping","Crystal structure of canagliflozin hemihydrate","Acta Crystallographica Section E","2016","72","5","734","736","10.1107/S2056989016006769","","","0.71073","MoKα","","0.1699","0.08","","","0.1166","0.1465","","","","","","0.999","","","","has coordinates,has Fobs","188723","2020-10-21","18:00:00",""
"2241666","9.6745","0.0003","13.9432","0.0006","23.3654","0.001","90","","90","","90","","3151.8","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,10<i>S</i>)-2,2-Dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","","- C16 H24 Cl2 O2 -","- C16 H24 Cl2 O2 -","- C128 H192 Cl16 O16 -","8","2","","Benzalim, Ahmed; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani","Crystal structure of (1<i>S</i>,3<i>R</i>,8<i>R</i>,10<i>S</i>)-2,2-dichloro-10-hydroxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","Acta Crystallographica Section E","2016","72","5","709","711","10.1107/S2056989016006174","","","0.71073","MoKα","","0.0617","0.0524","","","0.1262","0.1342","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","182303","2020-10-21","18:00:00",""
"2241667","8.9497","0.0006","11.0906","0.0006","14.2608","0.0009","90","","90","","90","","1415.49","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hydromorphone form I","(4<i>R</i>,4a<i>R</i>,7a<i>R</i>,12b<i>S</i>)-9-Hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-<i>e</i>]isoquinolin-7-one]","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","GK2659","Mazurek, Jaroslaw; Hoffmann, Marcel; Fernandez Casares, Ana; Cox, D. Phillip; Minardi, Mathew D.; Sasine, Josh","Two orthorhombic polymorphs of hydromorphone","Acta Crystallographica Section E","2016","72","5","730","733","10.1107/S2056989016006563","","","0.71073","MoKα","","0.0486","0.0416","","","0.0914","0.0959","","","","","","1.051","","","","has coordinates,has Fobs","182304","2020-10-21","18:00:00",""
"2241668","8.8802","0.0006","10.6208","0.0008","14.4733","0.0009","90","","90","","90","","1365.05","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Hydromorphone Form II","(4R,4aR,7aR,12bS)-9-hydroxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","GK2659","Mazurek, Jaroslaw; Hoffmann, Marcel; Fernandez Casares, Ana; Cox, D. Phillip; Minardi, Mathew D.; Sasine, Josh","Two orthorhombic polymorphs of hydromorphone","Acta Crystallographica Section E","2016","72","5","730","733","10.1107/S2056989016006563","","","0.71073","MoKα","","0.0354","0.0333","","","0.0926","0.0947","","","","","","1.073","","","","has coordinates,has Fobs","182304","2020-10-21","18:00:00",""
"2241670","7.6553","0.0003","12.3238","0.0005","31.96","0.002","90","","90","","90","","3015.2","0.3","200","1","200","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","brucinium <i>p</i>-arsanilate tetrahydrate","2,3-Dimethoxy-10-oxostrychnidinium 4-aminophenylarsonate tetrahydrate","","- C29 H42 As N3 O11 -","- C29 H42 As N3 O11 -","- C116 H168 As4 N12 O44 -","4","1","LH5811","Smith, Graham; Wermuth, Urs D.","Crystal structure and hydrogen bonding in the water-stabilized proton-transfer salt brucinium 4-aminophenylarsonate tetrahydrate","Acta Crystallographica Section E","2016","72","5","751","755","10.1107/S2056989016006691","","","0.71073","MoKα","","0.0558","0.048","","","0.0904","0.0957","","","","","","1.048","","","","has coordinates,has Fobs","182415","2020-10-21","18:00:00",""
"2241708","9.1047","0.001","10.0086","0.0011","10.5871","0.0011","90","","90","","90","","964.75","0.18","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(R)-(-)-O-acetylmandelic acid","(<i>R</i>)-(-)-2-Acetoxy-2-phenylacetic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","PK2580","Cirbes, Cady; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of (<i>R</i>)-<i>O</i>-acetylmandelic acid","Acta Crystallographica Section E","2016","72","7","901","903","10.1107/S2056989016008653","","","1.54178","CuKα","","0.025","0.025","","","0.0623","0.0623","","","","","","1.099","","","","has coordinates,has Fobs","183347","2020-10-21","18:00:00",""
"2241751","4.1615","0.0002","14.7498","0.0006","20.3168","0.0008","90","","90","","90","","1247.07","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-benzoyl-2-(m-nitrophenyl)ethylene oxide","[3-(3-Nitrophenyl)oxiran-2-yl](phenyl)methanone","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","1","","Greenberg, Fred H.; Nazarenko, Alexander Y.","Two polymorphs of <i>trans</i>-[3-(3-nitrophenyl)oxiran-2-yl](phenyl)methanone","Acta Crystallographica Section E","2016","72","7","1054","1059","10.1107/S2056989016010239","","","1.54178","CuKα","","0.0338","0.029","","","0.0685","0.0708","","","","","","1.055","","","","has coordinates,has Fobs","184034","2020-10-21","18:00:00",""
"2241772","7.7474","0.0006","11.1404","0.0008","19.208","0.002","90","","90","","90","","1657.8","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N2 O3 -","- C17 H28 N2 O3 -","- C68 H112 N8 O12 -","4","1","ZS2363","Abda, Heithem; Ezzayani, Khaireddine; Aouadi, Kaiss; Guerfel, Taha; Vidal, Sebastien; Msaddek, Moncef","Crystal structure of 2-isopropyl-5,7'-dimethyl-1',3',3a',6',8a',8b'-hexahydrospiro[cyclohexane-1,6'-furo[3,4-<i>d</i>]imidazo[1,5-<i>b</i>]isoxazol]-8'(7'<i>H</i>)-one","Acta Crystallographica Section E","2016","72","8","1150","1152","10.1107/S2056989016010641","","","1.5418","CuKα","","0.046","0.0423","","0.0957","0.0887","0.0957","","","","","","1.0287","","","","has coordinates,has Fobs","184529","2020-10-21","18:00:00",""
"2241811","9.0254","0.0009","11.4601","0.0012","12.3621","0.0014","90","","90","","90","","1278.6","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dimethylformamidium bis(trifluoromethanesulfonyl)amide","","- C5 H8 F6 N2 O5 S2 -","- C5 H8 F6 N2 O5 S2 -","- C20 H32 F24 N8 O20 S8 -","4","1","HB7586","Cardenas, Allan Jay P.; O'Hagan, Molly","Crystal structure of dimethylformamidium bis(trifluoromethanesulfonyl)amide: an ionic liquid","Acta Crystallographica Section E","2016","72","9","1290","1292","10.1107/S2056989016012251","","","0.71073","MoKα","","0.028","0.0254","","","0.0645","0.0658","","","","","","1.059","","","","has coordinates,has Fobs","185785","2020-10-21","18:00:00",""
"2241820","5.4534","0.0011","17.203","0.003","20.06","0.004","90","","90","","90","","1881.9","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl {2-[4-(4-isopropylphenyl)thiazol-2-yl]phenyl}carbamate","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C84 H88 N8 O8 S4 -","4","1","HB7607","Sukhonosova, Elena V.; Sokov, Sergey A.; Ostapenko, Gennady I.; Bunev, Alexander S.; Dorovatovskii, Pavel V.; Zubavichus, Yan V.; Khrustalev, Victor N.","Crystal structures of ethyl {2-[4-(4-isopropylphenyl)thiazol-2-yl]phenyl}carbamate and ethyl {2-[4-(3-nitrophenyl)thiazol-2-yl]phenyl}carbamate","Acta Crystallographica Section E","2016","72","9","1321","1325","10.1107/S2056989016013104","","","0.9699","synchrotron","","0.0734","0.0524","","","0.1088","0.1225","","","","","","0.964","","","","has coordinates,has Fobs","185906","2020-10-21","18:00:00",""
"2241825","6.3726","0.0005","14.2549","0.0011","18.2817","0.0012","90","","90","","90","","1660.7","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((<i>E</i>)-{2-[(<i>E</i>)-(4-Hydroxynaphthalen-1-yl)methylidene]hydrazin-1-yl}(methylsulfanyl)methylidene)azanium hydrogen sulfate monohydrate","","- C13 H17 N3 O6 S2 -","- C13 H17 N3 O6 S2 -","- C52 H68 N12 O24 S8 -","4","1","","Nehar, Oussama; Louhibi, Samira; Boukli-Hacene, Leila; Roisnel, Thierry","Synthesis and crystal structure of ((<i>E</i>)-{2-[(<i>E</i>)-(4-hydroxynaphthalen-1-yl)methylidene]hydrazin-1-yl}(methylsulfanyl)methylidene)azanium hydrogen sulfate monohydrate","Acta Crystallographica Section E","2016","72","9","1326","1329","10.1107/S2056989016013232","","","0.71073","MoKα","","0.0413","0.0386","","","0.1004","0.1025","","","","","","1.07","","","","has coordinates,has Fobs","186042","2020-10-21","18:00:00",""
"2241826","11.2517","0.0005","16.424","0.001","31.1181","0.0018","90","","90","","90","","5750.6","0.5","147","2","147","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","(+)-<i>trans</i>-Chlorido{2-[(<i>R</i>~p~)-2-(methylsulfanyl)ferrocenyl]-2,5,6,7-tetrahydropyrrolo[1,2-<i>c</i>]imidazol-3-ylidene}bis(triphenylphosphane-κ<i>P</i>)palladium(II) hexafluoridophosphate dichloroform disolvate","","- C55 H50 Cl7 F6 Fe N2 P3 Pd S -","- C55 H50 Cl7 F6 Fe N2 P3 Pd S -","- C220 H200 Cl28 F24 Fe4 N8 P12 Pd4 S4 -","4","1","HB7606","Wilson-Konderka, Cody; Lough, Alan J.; Metallinos, Costa","(+)-<i>trans</i>-Chlorido{2-[(<i>R</i>~p~)-2-(methylsulfanyl)ferrocenyl]-2,5,6,7-tetrahydropyrrolo[1,2-<i>c</i>]imidazol-3-ylidene}bis(triphenylphosphane-κ<i>P</i>)palladium(II) hexafluoridophosphate dichloroform disolvate","Acta Crystallographica Section E","2016","72","9","1330","1334","10.1107/S2056989016013190","","","0.71073","MoKα","","0.0697","0.0444","","","0.067","0.0745","","","","","","0.98","","","","has coordinates,has disorder,has Fobs","186043","2020-10-21","18:00:00",""
"2241876","4.6834","0.0002","12.9567","0.0007","16.113","0.0008","90","","90","","90","","977.76","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2-Bromoethyl)indoline-2,3-dione","","- C10 H8 Br N O2 -","- C10 H8 Br N O2 -","- C40 H32 Br4 N4 O8 -","4","1","","Sharmila, N.; Sundar, T. V.; Sathish, G.; Venkatesan, P.","Crystal and geometry-optimized structure, and Hirshfeld surface analysis of 1-(2-bromoethyl)indoline-2,3-dione","Acta Crystallographica Section E","2016","72","11","1569","1573","10.1107/S2056989016015760","","","0.71073","MoKα","","0.1384","0.0549","","","0.0697","0.0838","","","","","","1.016","","","","has coordinates,has Fobs","187274","2020-10-21","18:00:00",""
"2241922","10.6461","0.001","11.8994","0.0011","18.2418","0.0016","90","","90","","90","","2310.9","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","12-Phenyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole","","- C30 H19 N O3 S -","- C30 H19 N O3 S -","- C120 H76 N4 O12 S4 -","4","1","SU5330","Gangadharan, Rajeswari; Narayanan, P.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","Crystal structures of three carbazole derivatives: 12-ethyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole, (1), 2-(4,5-dimethoxy-2-nitrophenyl)-4-hydroxy-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde, (2), and 12-phenyl-7-phenylsulfonyl-7<i>H</i>-benzofuro[2,3-<i>b</i>]carbazole, (3)","Acta Crystallographica Section E","2016","72","12","1744","1750","10.1107/S2056989016016819","","","0.71073","MoKα","","0.0933","0.0424","","","0.0841","0.1011","","","","","","0.997","","","","has coordinates","187830","2020-10-21","18:00:00",""
"2242080","23.739","0.003","4.7791","0.0005","18.0722","0.0019","90","","90","","90","","2050.3","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (4<i>R</i>)-4-(4-methoxybenzoyl)-4-{[(1<i>R</i>)-1-phenylethyl]carbamoyl}butanoate","","- C22 H25 N O5 -","- C22 H25 N O5 -","- C88 H100 N4 O20 -","4","1","HB7652","Manchado, Alejandro; Salgado, Mateo M.; Vicente, Álvaro; Díez, David; Sanz, Francisca; Garrido, Narciso M.","Crystal structure of methyl (4<i>R</i>)-4-(4-methoxybenzoyl)-4-{[(1<i>R</i>)-1-phenylethyl]carbamoyl}butanoate","Acta Crystallographica Section E","2017","73","4","503","506","10.1107/S2056989017003607","","","1.54178","CuKα","","0.1043","0.0673","","","0.152","0.1633","","","","","","1.249","","","","has coordinates,has Fobs","194255","2020-10-21","18:00:00",""
"2242095","9.4692","0.0018","9.9821","0.0019","16.682","0.003","90","","90","","90","","1576.8","0.5","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>'-[(1<i>H</i>-Indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate","","- C17 H18 N4 O2 -","- C17 H18 N4 O2 -","- C68 H72 N16 O8 -","4","1","","Saranya, Sivaraj; Haribabu, Jebiti; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy; Gayathri, Dasararaju","Crystal structures of the Schiff base derivatives (<i>E</i>)-<i>N</i>'-[(1<i>H</i>-indol-3-yl)methylidene]isonicotinohydrazide ethanol monosolvate and (<i>E</i>)-<i>N</i>-methyl-2-[1-(2-oxo-2<i>H</i>-chromen-3-yl)ethylidene]hydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","4","594","597","10.1107/S205698901700411X","","","0.71073","MoKα","","0.0441","0.0433","","","0.1186","0.1194","","","","","","0.98","","","","has coordinates,has Fobs","194504","2020-10-21","18:00:00",""
"2242103","5.1628","0.0003","8.1593","0.0003","38.5755","0.0016","90","","90","","90","","1624.99","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Nitrophenyl 6-<i>O</i>-ethyl-β-<i>D</i>-galactopyranoside monohydrate","","- C14 H21 N O9 -","- C14 H21 N O9 -","- C56 H84 N4 O36 -","4","1","ZS2376","Silva, Bruno Leonardo; Alves, Ricardo José; Speziali, Nivaldo Lúcio","Crystal structure of 4-nitrophenyl 6-<i>O</i>-ethyl-β-<small>D</small>-galactopyranoside monohydrate","Acta Crystallographica Section E","2017","73","4","598","601","10.1107/S2056989017004595","","","0.71073","MoKα","","0.0589","0.046","","","0.0988","0.1084","","","","","","1.075","","","","has coordinates","196535","2020-10-21","18:00:00",""
"2242108","15.3879","0.0002","17.8733","0.0005","22.2895","0.0006","90","","90","","90","","6130.3","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Bis(tetra-<i>n</i>-butylammonium) bis(1,1,1,4,4,4-hexafluorobut-2-ene-2,3-dithiolato)oxalatomolybdate(IV)‒chloroform‒oxalic acid (1/1/1),","","- C45 H75 Cl3 F12 Mo N2 O8 S4 -","- C45 H75 Cl3 F12 Mo N2 O8 S4 -","- C180 H300 Cl12 F48 Mo4 N8 O32 S16 -","4","1","ZL2708","Gapinska, Agata; Lough, Alan J.; Fekl, Ulrich","Coordination compounds containing bis-dithiolene-chelated molybdenum(IV) and oxalate: comparison of terminal with bridging oxalate","Acta Crystallographica Section E","2017","73","8","1202","1207","10.1107/S205698901701026X","","","0.71073","MoKα","","0.0895","0.048","","","0.0898","0.105","","","","","","1.021","","","","has coordinates,has disorder,has Fobs","198828","2020-10-21","18:00:00",""
"2242122","3.7565","0.0008","8.7002","0.0017","18.35","0.004","90","","90","","90","","599.7","0.2","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Chloropyridine-2,3-diamine","","- C5 H6 Cl N3 -","- C5 H6 Cl N3 -","- C20 H24 Cl4 N12 -","4","1","FY2122","Sulovari, Aron; Tanski, Joseph M.","Crystallographic and spectroscopic characterization of 5-chloropyridine-2,3-diamine","Acta Crystallographica Section E","2017","73","8","1213","1217","10.1107/S2056989017010489","","","0.71073","MoKα","","0.062","0.0414","","","0.0774","0.0843","","","","","","1.067","","","","has coordinates,has Fobs","198917","2020-10-21","18:00:00",""
"2242124","7.27709","0.00007","7.32686","0.00006","25.5179","0.0002","90","","90","","90","","1360.57","0.02","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Equilenin","3-Hydroxy-13-methyl-11,12,13,14,15,16-hexahydrocyclopenta[<i>a</i>]phenanthren-17-one","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","SU5383","Frampton, Christopher S.; MacNicol, David D.","Structure of Equilenin at 100K: an estrone-related steroid","Acta Crystallographica Section E","2017","73","8","1223","1226","10.1107/S2056989017010532","","","1.54184","CuKα","","0.0293","0.0292","","","0.0802","0.0804","","","","","","1.008","","","","has coordinates,has Fobs","198919","2020-10-21","18:00:00",""
"2242129","11.0772","0.0006","13.0582","0.0008","13.8966","0.0008","90","","90","","90","","2010.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>)-6'-Bromo-3'-diethylamino-3<i>H</i>-spiro[2-benzofuran-1,9'-xanthen]-3-one","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C96 H80 Br4 N4 O12 -","4","1","SJ5518","Stephenson, Clifton J.; Mague, Joel T.; Kamm, Nathaniel; Aleman, Nathalie; Rich, Dayla; Dang, Quynh-Nhu; Nguyen, Ha Van","Synthesis, resolution and crystal structures of two enantiomeric rhodamine derivatives","Acta Crystallographica Section E","2017","73","3","327","333","10.1107/S2056989017001451","","","0.71073","MoKα","","0.0299","0.0259","","","0.0569","0.0576","","","","","","0.985","","","","has coordinates,has Fobs","199108","2020-10-21","18:00:00",""
"2242130","8.1529","0.0013","18.185","0.003","26.86","0.004","90","","90","","90","","3982.3","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>)-6'-Bromo-3'-diethylamino-3<i>H</i>-spiro[2-benzofuran-1,9'-xanthen]-3-one","","- C24 H20 Br N O3 -","- C24 H20 Br N O3 -","- C192 H160 Br8 N8 O24 -","8","2","SJ5518","Stephenson, Clifton J.; Mague, Joel T.; Kamm, Nathaniel; Aleman, Nathalie; Rich, Dayla; Dang, Quynh-Nhu; Nguyen, Ha Van","Synthesis, resolution and crystal structures of two enantiomeric rhodamine derivatives","Acta Crystallographica Section E","2017","73","3","327","333","10.1107/S2056989017001451","","","0.71073","MoKα","","0.0778","0.0445","","","0.0848","0.0934","","","","","","0.968","","","","has coordinates,has Fobs","199108","2020-10-21","18:00:00",""
"2242135","8.0297","0.001","15.5449","0.0017","17.56","0.004","90","","90","","90","","2191.9","0.6","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","naltrexone chloride i-propanol solvate","17-(Cyclopropylmethyl)-3,14-dihydroxy-4,5a-epoxymorphinan-6-one hydrochloride propan-2-ol monosolvate","","- C23 H32 Cl N O5 -","- C23 H32 Cl N O5 -","- C92 H128 Cl4 N4 O20 -","4","1","","Menze, Aveary R.; Sinnott, Jefferson P.; Nazarenko, Alexander Y.","Crystal structure of naltrexone chloride solvates with ethanol, propan-2-ol, and 2-methylpropan-2-ol","Acta Crystallographica Section E","2017","73","7","1013","1020","10.1107/S205698901700843X","","","0.71073","MoKα","","0.0632","0.0454","","","0.1052","0.1124","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","199113","2020-10-21","18:00:00",""
"2242170","6.2584","0.0001","10.1734","0.0002","18.7183","0.0003","90","","90","","90","","1191.78","0.04","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-(5-Chloro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","","- C10 H9 Cl N4 O S -","- C10 H9 Cl N4 O S -","- C40 H36 Cl4 N16 O4 S4 -","4","1","","Velasques, Jecika Maciel; Gervini, Vanessa Carratu; Kickofel, Lisliane; de Farias, Renan Lira; de Oliveira, Adriano Bof","Hirshfeld analysis and molecular docking with the RDR enzyme of 2-(5-chloro-2-oxoindolin-3-ylidene)-<i>N</i>-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2017","73","5","702","707","10.1107/S2056989017005461","","","0.71073","MoKα","","0.021","0.0204","","","0.0556","0.0563","","","","","","1.049","","","","has coordinates,has Fobs","199140","2020-10-21","18:00:00",""
"2242171","10.3489","0.0006","14.3664","0.0008","21.4619","0.0013","90","","90","","90","","3190.9","0.3","120","2","119.99","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","({(1<i>R</i>,2<i>R</i>)-<i>N</i>^1^,<i>N</i>^2^-Bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate","","- C27 H29 Cl7 Fe2 N4 O -","- C27 H29 Cl7 Fe2 N4 O -","- C108 H116 Cl28 Fe8 N16 O4 -","4","1","HB7682","Swift, Hannah; Carrig, Molly W.; Oshin, Kayode D.; Vinokur, Anastasiya I.; Desper, John A.; Levy, Christopher J.","Crystal structure of ({(1<i>R</i>,2<i>R</i>)-<i>N</i>,<i>N</i>'-bis[(quinolin-2-yl)methyl]cyclohexane-1,2-diamine}chloridoiron(III))-μ-oxido-[trichloridoferrate(III)] chloroform monosolvate","Acta Crystallographica Section E","2017","73","7","936","940","10.1107/S2056989017007952","","","0.71073","MoKα","","0.0502","0.0369","","","0.0768","0.0816","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","199141","2020-10-21","18:00:00",""
"2242179","5.7011","0.0004","15.4836","0.001","16.2128","0.001","90","","90","","90","","1431.16","0.16","296","1","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-4-Amino-<i>N</i>'-[1-(4-methylphenyl)ethylidene]benzohydrazide","","- C16 H17 N3 O -","- C16 H17 N3 O -","- C64 H68 N12 O4 -","4","1","ZS2381","Sivajeyanthi, Palaniyappan; Jeevaraj, Muthaiah; Edison, Bellarmin; Balasubramani, Kasthuri","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-4-amino-<i>N</i>'-[1-(4-methylphenyl)ethylidene]benzohydrazide","Acta Crystallographica Section E","2017","73","7","1029","1032","10.1107/S205698901700857X","","","0.71073","MoKα","","0.0616","0.0453","","","0.123","0.1413","","","","","","1.048","","","","has coordinates,has Fobs","199149","2020-10-21","18:00:00",""
"2242201","5.6993","0.0007","12.0762","0.0013","16.6839","0.0019","90","","90","","90","","1148.3","0.2","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Benzoic acid‒<i>L</i>-proline (1/1)","Benzoic acid‒pyrrolidin-1-ium-2-carboxylate (1/1)","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","LH5828","Chesna, Aaron M.; Cox, Jordan M.; Basso, Sanjukta; Benedict, Jason B.","Hydrogen-bonded co-crystal structure of benzoic acid and zwitterionic <small>L</small>-proline","Acta Crystallographica Section E","2017","73","3","369","371","10.1107/S2056989017001785","","","0.71073","MoKα","","0.0611","0.0433","","","0.0806","0.0862","","","","","","1.055","","","","has coordinates,has Fobs","199169","2020-10-21","18:00:00",""
"2242202","9.5008","0.0015","13.22","0.002","13.584","0.002","90","","90","","90","","1706.2","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","[taxodione]","(4b<i>S</i>)-4-Hydroxy-2-isopropyl-4b,8,8-trimethyl-4b,5,6,7,8,8a-hexahydrophenanthrene-3,9-dione","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","XU5903","Ke, Rui-Fang; Xu, Shi-Cheng; Song, Ping; Deng, Shi-Hao; Ma, Xin-Hua; Yang, Xin-Zhou","Crystal structure of taxodione isolated from <i>Taxodium ascendens</i> (B.)","Acta Crystallographica Section E","2017","73","7","1102","1104","10.1107/S205698901700946X","","","0.71073","MoKα","","0.0389","0.0343","","","0.0839","0.0875","","","","","","1.051","","","","has coordinates,has Fobs","199170","2020-10-21","18:00:00",""
"2242217","8.4709","0.0003","9.8287","0.0003","22.4299","0.0006","90","","90","","90","","1867.47","0.1","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","erioflorin","(1a<i>R</i>,3<i>S</i>,4<i>Z</i>,5a<i>R</i>,8a<i>R</i>,9<i>R</i>,10a<i>R</i>)-1a,2,3,5a,7,8,8a,9,10,10a-Decahydro-3-hydroxy-4,10a-dimethyl-8-methylidene-7-oxooxireno[5,6]cyclodeca[1,2-<i>b</i>]furan-9-yl methacrylate","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","ZL2693","Paz, Cristian; Ortiz, Leandro; Schilde, Uwe","Crystal structure of erioflorin isolated from <i>Podanthus mitiqui</i> (L.)","Acta Crystallographica Section E","2017","73","3","334","337","10.1107/S2056989017001700","","","0.71073","MoKα","","0.0497","0.0454","","","0.1134","0.1159","","","","","","1.086","","","","has coordinates,has Fobs","199182","2020-10-21","18:00:00",""
"2242220","5.7574","0.0001","12.5703","0.0003","20.1888","0.0004","90","","90","","90","","1461.11","0.05","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-<i>O</i>-Benzoyl-2,3-<i>O</i>-isopropylidene-<i>D</i>-ribono-1,4-lactone","","- C15 H16 O6 -","- C15 H16 O6 -","- C60 H64 O24 -","4","1","","Bortoluzzi, Adailton J.; Silveira, Gustavo P.; Sá, Marcus M.","Crystal structure of 5-<i>O</i>-benzoyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-ribono-1,4-lactone","Acta Crystallographica Section E","2017","73","3","407","409","10.1107/S2056989017002043","","","1.54178","CuKα","","0.0238","0.0236","","","0.0676","0.0681","","","","","","1.021","","","","has coordinates,has Fobs","199185","2020-10-21","18:00:00",""
"2242223","9.2867","0.0002","10.8741","0.0002","14.3038","0.0003","90","","90","","90","","1444.46","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Benzylcarbamoyl-1-methylpyridin-1-ium iodide","","- C14 H15 I N2 O -","- C14 H15 I N2 O -","- C56 H60 I4 N8 O4 -","4","1","RK2435","Drebushchak, T. N.; Kryukov, Yu.A.; Rogova, A. I.; Boldyreva, E. V.","Crystal structure of 4-benzylcarbamoyl-1-methylpyridin-1-ium iodide: an efficient multimodal antiviral drug","Acta Crystallographica Section E","2017","73","7","967","970","10.1107/S2056989017008155","","","0.71073","MoKα","","0.0288","0.0237","","","0.0512","0.0534","","","","","","1.077","","","","has coordinates,has Fobs","211179","2020-10-21","18:00:00",""
"2242226","5.0968","0.0001","8.8153","0.0001","25.6052","0.0003","90","","90","","90","","1150.44","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(-)-(<i>S</i>)-4-[(2<i>S</i>,3<i>S</i>,4<i>S</i>,<i>Z</i>)-3-hydroxy-4-methylhept-5-en-2-yl]-1,3-dioxolan-2-one","","- C11 H18 O4 -","- C11 H18 O4 -","- C44 H72 O16 -","4","1","","Morales-Rivera, Keyla F.; Piñero Cruz, Dalice M.; Prieto, Jose A.","Crystal structure of ({-})-(<i>S</i>)-4-[(2<i>S</i>,3<i>S</i>,4<i>S</i>,<i>Z</i>)-3-hydroxy-4-methylhept-5-en-2-yl]-1,3-dioxolan-2-one","Acta Crystallographica Section E","2017","73","7","1070","1072","10.1107/S2056989017009318","","","1.54184","CuKα","","0.033","0.0323","","","0.0934","0.0938","","","","","","1.256","","","","has coordinates,has Fobs","199191","2020-10-21","18:00:00",""
"2242233","6.6899","0.0005","18.93","0.002","9.6561","0.0011","90","","90","","90","","1222.8","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-{[1-(Pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide","","- C13 H13 N5 -","- C13 H13 N5 -","- C52 H52 N20 -","4","1","","Eya'ane Meva, Francois; Prior, Timothy John; Evans, David John; Mang, Emmanuel Roland","Crystal structures of <i>N</i>'-aminopyridine-2-carboximidamide and <i>N</i>'-{[1-(pyridin-2-yl)ethylidene]amino}pyridine-2-carboximidamide","Acta Crystallographica Section E","2017","73","7","1021","1025","10.1107/S2056989017008416","","","0.71073","MoKα","","0.083","0.0399","","","0.0753","0.0847","","","","","","0.828","","","","has coordinates,has Fobs","199196","2020-10-21","18:00:00",""
"2242255","6.819","0.0003","7.7062","0.0003","21.7492","0.0009","90","","90","","90","","1142.89","0.08","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-Chloro-1-phenylindoline-2,3-dione","","- C14 H8 Cl N O2 -","- C14 H8 Cl N O2 -","- C56 H32 Cl4 N4 O8 -","4","1","HB7661","Wang, Bing; Lu, Qing; Fang, Qi; Zhang, Ting-ting; Jin, Ying-ying","6-Chloro-1-phenylindoline-2,3-dione: absolute structure, non-linear optical and charge-transport properties","Acta Crystallographica Section E","2017","73","6","908","912","10.1107/S2056989017007630","","","0.71073","MoKα","","0.0348","0.0317","","","0.0877","0.0903","","","","","","1.041","","","","has coordinates,has Fobs","199214","2020-10-21","18:00:00",""
"2242282","6.0044","0.0003","16.4721","0.0007","17.8957","0.0009","90","","90","","90","","1769.98","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-Indol-3-yl)ethyl]-1-(anthracen-9-yl)methanimine","","- C25 H20 N2 -","- C25 H20 N2 -","- C100 H80 N8 -","4","1","","Faizi, Md. Serajul Haque; Dege, Necmi; Malinkin, Sergey; Sliva, Tetyana Yu.","Crystal structure and DFT study of (<i>E</i>)-<i>N</i>-[2-(1<i>H</i>-indol-3-yl)ethyl]-1-(anthracen-9-yl)methanimine","Acta Crystallographica Section E","2017","73","9","1329","1332","10.1107/S2056989017011483","","","0.71073","MoKα","","0.0589","0.0412","","","0.0863","0.0926","","","","","","1.043","","","","has coordinates,has Fobs","199733","2020-10-21","18:00:00",""
"2242286","10.0935","0.0001","14.8256","0.0002","20.0419","0.0003","90","","90","","90","","2999.11","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Pentacaesium nonastannide hydroxide tetraammonia","","- Cs5 H13 N4 O Sn9 -","- Cs5 H13 N4 O Sn9 -","- Cs20 H52 N16 O4 Sn36 -","4","1","RU2058","Friedrich, Ute; Korber, Nikolaus","Cs~5~Sn~9~(OH).4NH~3~","Acta Crystallographica, Section E","2014","70","6","i29","i29","10.1107/S1600536814011817","","","0.71073","MoKα","","0.0211","0.0198","","","0.037","0.0374","","","","","","1.048","","","","has coordinates,has Fobs","199838","2020-10-21","18:00:00",""
"2242293","7.17","0.0003","8.9723","0.0004","19.8379","0.0007","90","","90","","90","","1276.2","0.09","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[tri-μ-aqua-(μ-2-carboxylatopyrrolidine-1-carbodithioato)dipotassium]","","- C6 H13 K2 N O5 S2 -","- C6 H13 K2 N O5 S2 -","- C24 H52 K8 N4 O20 S8 -","4","1","ZL2712","Liebing, Phil","Crystal structure of dipotassium <i>N</i>-carbodithioato-<small>L</small>-prolinate trihydrate","Acta Crystallographica Section E","2017","73","9","1375","1378","10.1107/S2056989017011999","","","0.71073","MoKα","","0.0293","0.0229","","","0.0409","0.0418","","","","","","0.965","","","","has coordinates,has Fobs","199967","2020-10-21","18:00:00",""
"2242296","5.5322","0.0002","7.8707","0.0003","32.9092","0.0014","90","","90","","90","","1432.94","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-[2-(Cyclohexylsulfanyl)ethyl]quinolinic acid imide","6-[2-(Cyclohexylsulfanyl)ethyl]-5<i>H</i>-pyrrolo[3,4-<i>b</i>]pyridine-5,7(6<i>H</i>)-dione","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C60 H72 N8 O8 S4 -","4","1","","Park, Hyunjin; Choi, Myong Yong; Moon, Cheol Joo; Kim, Tae Ho","Crystal structure of <i>N</i>-[2-(cyclohexylsulfanyl)ethyl]quinolinic acid imide","Acta Crystallographica Section E","2017","73","9","1372","1374","10.1107/S2056989017012142","","","0.71073","MoKα","","0.0392","0.0341","","","0.0697","0.072","","","","","","1.042","","","","has coordinates,has Fobs","199970","2020-10-21","18:00:00",""
"2242306","8.1038","0.0003","13.3915","0.0006","18.7377","0.0009","90","","90","","90","","2033.45","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4<i>H</i>-11-thia-1,4a-\ diazabenzo[<i>b</i>]fluorene-3-carboxylate","","- C24 H18 N2 O4 S -","- C24 H18 N2 O4 S -","- C96 H72 N8 O16 S4 -","4","1","ZQ2240","Yartsev, Yegor; Lyubashov, Pavel; Povstyanoy, Vyacheslav; Povstyaniy, Mykhailo; Lebedyeva, Iryna","Crystal structure of ethyl 2-methyl-5,10-dioxo-4-phenyl-5,10-dihydro-4<i>H</i>-11-thia-1,4a-diazabenzo[<i>b</i>]fluorene-3-carboxylate","Acta Crystallographica Section E","2018","74","2","124","126","10.1107/S2056989018000117","","","0.71073","MoKα","","0.0428","0.0352","","","0.0825","0.0873","","","","","","1.031","","","","has coordinates,has Fobs","205160","2020-10-21","18:00:00",""
"2242408","8.6877","0.0017","9.6547","0.0019","18.137","0.004","90","","90","","90","","1521.3","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>rac</i>-2-(4-Nitrophenyl)-3-phenyl-3,4,5,6-tetrahydro-2<i>H</i>-1,3-thiazin-4-one","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C64 H56 N8 O12 S4 -","4","1","","Yennawar, Hemant P.; Bradley, Heather G.; Perhonitch, Kristen C.; Reppert, Haley E.; Silverberg, Lee J.","Spontaneous resolution and crystal structure of (2<i>S</i>)-2-(3-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one; crystal structure of <i>rac</i>-2-(4-nitrophenyl)-3-phenyl-2,3,5,6-tetrahydro-4<i>H</i>-1,3-thiazin-4-one","Acta Crystallographica Section E","2018","74","4","454","457","10.1107/S2056989018003444","","","0.71073","MoKα","","0.0534","0.0448","","","0.1151","0.1211","","","","","","1.012","","","","has coordinates,has Fobs","206839","2020-10-21","18:00:00",""
"2242426","10.3581","0.0001","13.4039","0.0001","26.1689","0.0002","90","","90","","90","","3633.26","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Naloxegol hydrogen oxalate","(5α,6α)-6-[(2,5,8,11,14,17,20-Heptaoxadocosan-22-yl)oxy]-3,14-dihydroxy-17-\ (prop-2-en-1-yl)-4,5-epoxymorphinan-17-ium hydrogen oxalate","","- C36 H55 N O15 -","- C36 H55 N O15 -","- C144 H220 N4 O60 -","4","1","FY2125","Gelbrich, Thomas; Langes, Christoph; Stefinovic, Marijan; Griesser, Ulrich J.","Naloxegol hydrogen oxalate displaying an hydrogen-bonded layer structure","Acta Crystallographica Section E","2018","74","4","474","477","10.1107/S2056989018003675","","","1.54184","CuKα","","0.0484","0.0476","","","0.1251","0.1262","","","","","","1.034","","","","has coordinates,has Fobs","206893","2020-10-21","18:00:00",""
"2242435","6.618","0.0003","7.1197","0.0003","34.7351","0.0015","90","","90","","90","","1636.65","0.12","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-(5<i>R</i>,7<i>R</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>)-8-Methyl-7-[(5<i>R</i>)-3-methyl-2-oxooxolan-3-en-5-yl]-1-aza-6-oxatricyclo[8.3.0.0^5,9^]tridecan-13-one monohydrate","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","IS5494","Oishi, Takeshi; Yoritate, Makoto; Sato, Takaaki; Chida, Noritaka","Crystal structure of ({-})-(5<i>R</i>,7<i>R</i>,8<i>S</i>,9<i>R</i>,10<i>S</i>)-8-methyl-7-[(5<i>R</i>)-3-methyl-2-oxooxolan-3-en-5-yl]-1-aza-6-oxatricyclo[8.3.0.0^5,9^]tridecan-13-one monohydrate","Acta Crystallographica Section E","2018","74","4","555","558","10.1107/S2056989018004425","","","0.71073","MoKα","","0.0355","0.0332","","","0.0678","0.0694","","","","","","1","","","","has coordinates,has Fobs","207158","2020-10-21","18:00:00",""
"2242475","6.279","0.0003","15.661","0.0009","15.88","0.0008","90","","90","","90","","1561.57","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-1-cyclohexylethylammonium 4-bromobenzoate","(<i>S</i>)-1-Cyclohexylethan-1-aminium 4-bromobenzoate'","","- C15 H22 Br N O2 -","- C15 H22 Br N O2 -","- C60 H88 Br4 N4 O8 -","4","1","","Blignaut, Jacques; Lemmerer, Andreas","An investigation to elucidate the factors dictating the crystal structure of seven ammonium carboxylate molecular salts","Acta Crystallographica Section E","2018","74","5","580","586","10.1107/S2056989017017856","","","0.71073","MoKα","","0.0832","0.0778","","","0.2051","0.2112","","","","","","1.078","","","","has coordinates,has Fobs","207561","2020-10-21","18:00:00",""
"2242513","10.0069","0.0005","10.1898","0.0007","32.0045","0.0014","90","","90","","90","","3263.4","0.3","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-<i>O</i>-Benzyl-1,2-<i>O</i>-isopropylidene-5-<i>O</i>-methanesulfonyl-6-\ <i>O</i>-triphenylmethyl-α-<i>D</i>-glucofuranose","1-[(3a<i>R</i>,5<i>R</i>,6<i>S</i>,6a<i>R</i>)-6-Benzyloxy-2,2-dimethyltetrahydrofuro[2,3-<i>d</i>][1,3]dioxol-5-yl]-2-(trityloxy)ethyl methanesulfonate","","- C36 H38 O8 S -","- C36 H38 O8 S -","- C144 H152 O32 S4 -","4","1","SU5437","Clarke, Zane; Barnes, Evan; Prichard, Kate L.; Mares, Laura J.; Clegg, Jack K.; McCluskey, Adam; Houston, Todd A.; Simone, Michela I.","The crystal structures of 3-<i>O</i>-benzyl-1,2-<i>O</i>-isopropylidene-5-<i>O</i>-methanesulfonyl-6-<i>O</i>-triphenylmethyl-α-<small>D</small>-glucofuranose and its azide displacement product","Acta Crystallographica Section E","2018","74","6","862","867","10.1107/S205698901800765X","","","1.54184","CuKα","","0.1368","0.0943","","","0.2666","0.3507","","","","","","1.201","","","","has coordinates,has Fobs","208077","2020-10-21","18:00:00",""
"2242514","10.0943","0.0001","10.9625","0.0001","27.5392","0.0002","90","","90","","90","","3047.45","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Azido-3-<i>O</i>-benzyl-5-deoxy-1,2-<i>O</i>-isopropylidene-6-<i>O</i>-triphenylmethyl-β-<i>L</i>-idofuranose","(3a<i>R</i>,5<i>S</i>,6<i>S</i>,6a<i>R</i>)-5-[1-Azido-2-(trityloxy)ethyl]-6-benzyloxy-2,2-dimethyltetrahydrofuro[2,3-<i>d</i>][1,3]dioxole","","- C35 H35 N3 O5 -","- C35 H35 N3 O5 -","- C140 H140 N12 O20 -","4","1","SU5437","Clarke, Zane; Barnes, Evan; Prichard, Kate L.; Mares, Laura J.; Clegg, Jack K.; McCluskey, Adam; Houston, Todd A.; Simone, Michela I.","The crystal structures of 3-<i>O</i>-benzyl-1,2-<i>O</i>-isopropylidene-5-<i>O</i>-methanesulfonyl-6-<i>O</i>-triphenylmethyl-α-<small>D</small>-glucofuranose and its azide displacement product","Acta Crystallographica Section E","2018","74","6","862","867","10.1107/S205698901800765X","","","1.54178","CuKα","","0.0297","0.0293","","","0.0845","0.0852","","","","","","1.027","","","","has coordinates,has Fobs","208077","2020-10-21","18:00:00",""
"2242521","4.8637","0.0003","14.6601","0.001","16.6512","0.0009","90","","90","","90","","1187.27","0.13","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1-[3-(2-Hydroxybenzylideneamino)phenyl]ethanone","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","XU5925","Moussa Slimane, Nabila; Bouhidel, Zakaria; Cherouana, Aouatef","A new crystal form and antimicrobial activity of (<i>E</i>)-1-[3-(2-hydroxybenzylideneamino)phenyl]ethanone","Acta Crystallographica Section E","2018","74","7","884","888","10.1107/S205698901800806X","","","1.54184","CuKα","","0.0539","0.046","","","0.1148","0.1309","","","","","","1.069","","","","has coordinates,has Fobs","208134","2020-10-21","18:00:00",""
"2242556","5.2794","0.0004","8.8686","0.0006","11.5321","0.0009","90","","90","","90","","539.94","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>L</i>-Proline","(<i>S</i>)-Pyrrolidine-2-carboxylic acid","","- C5 H9 N O2 -","- C5 H9 N O2 -","- C20 H36 N4 O8 -","4","1","EB2008","Koenig, Jonas J.; Neudörfl, Jörg-M.; Hansen, Anne; Breugst, Martin","Redetermination of the solvent-free crystal structure of <small>L</small>-proline","Acta Crystallographica Section E","2018","74","8","1067","1070","10.1107/S2056989018009490","","","1.54178","CuKα","","0.0392","0.0356","","","0.0839","0.0855","","","","","","1.109","","","","has coordinates,has Fobs","208966","2020-10-21","18:00:00",""
"2242558","7.6419","0.0007","11.8889","0.0013","14.8082","0.0016","90","","90","","90","","1345.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-Ethyl-<i>N</i>-(4-nitrobenzylidene)aniline","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","ZL2733","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","The crystal structure of (<i>E</i>)-2-ethyl-<i>N</i>-(4-nitrobenzylidene)aniline: three-dimensional supramolecular assembly mediated by C—H···O hydrogen bonds and nitro···π(arene) interactions","Acta Crystallographica Section E","2018","74","8","1071","1074","10.1107/S2056989018009544","","","0.71073","MoKα","","0.1081","0.0396","","","0.087","0.1199","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","208968","2020-10-21","18:00:00",""
"2242585","3.9867","0.0003","13.4564","0.0011","25.573","0.002","90","","90","","90","","1371.91","0.19","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>E</i>)-3-(2,4-Dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","","- C13 H6 Cl4 O S -","- C13 H6 Cl4 O S -","- C52 H24 Cl16 O4 S4 -","4","1","DX2006","Murthy, T. N. Sanjeeva; Atioğlu, Zeliha; Akkurt, Mehmet; Chidan Kumar, C. S.; Veeraiah, M. K.; Quah, Ching Kheng; Siddaraju, B. P.","Crystal structure and Hirshfeld surface analysis of (2<i>E</i>)-3-(2,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2018","74","9","1201","1205","10.1107/S2056989018010976","","","0.71073","MoKα","","0.0503","0.0375","","","0.095","0.1024","","","","","","1.03","","","","has coordinates,has Fobs","209712","2020-10-21","18:00:00",""
"2242609","7.8484","0.0002","10.8964","0.0002","11.8669","0.0003","90","","90","","90","","1014.85","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Cyano-1-methylpyridinium hexafluoridophosphate","","- C7 H7 F6 N2 P -","- C7 H7 F6 N2 P -","- C28 H28 F24 N8 P4 -","4","1","","Mague, Joel T.; Larrabee, Erin; Olivier, David; Vaccaro, Francesca; Riley, Kevin E.; Koplitz, Lynn V.","Crystal structures of the hexafluoridophosphate salts of the isomeric 2-, 3- and 4-cyano-1-methylpyridinium cations and determination of solid-state interaction energies","Acta Crystallographica Section E","2018","74","9","1322","1329","10.1107/S2056989018011003","","","1.54178","CuKα","","0.0364","0.0357","","","0.0939","0.0948","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","210132","2020-10-21","18:00:00",""
"2242610","8.5293","0.0006","8.6264","0.0007","13.3589","0.001","90","","90","","90","","982.91","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Cyano-1-methylpyridinium hexafluoridophosphate","","- C7 H7 F6 N2 P -","- C7 H7 F6 N2 P -","- C28 H28 F24 N8 P4 -","4","1","","Mague, Joel T.; Larrabee, Erin; Olivier, David; Vaccaro, Francesca; Riley, Kevin E.; Koplitz, Lynn V.","Crystal structures of the hexafluoridophosphate salts of the isomeric 2-, 3- and 4-cyano-1-methylpyridinium cations and determination of solid-state interaction energies","Acta Crystallographica Section E","2018","74","9","1322","1329","10.1107/S2056989018011003","","","0.71073","MoKα","","0.0337","0.0306","","","0.0829","0.0844","","","","","","1.126","","","","has coordinates,has Fobs","210132","2020-10-21","18:00:00",""
"2242617","10.6894","0.0006","11.1623","0.0006","14.0025","0.0007","90","","90","","90","","1670.75","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4<i>S</i>,5<i>R</i>)-2-[Bis(2-chloroethyl)amino]-3,4-dimethyl-5-phenyl-1,3,2-oxazaphospholidin-2-one","","- C14 H21 Cl2 N2 O2 P -","- C14 H21 Cl2 N2 O2 P -","- C56 H84 Cl8 N8 O8 P4 -","4","1","FY2130","Rohde Jr, Laurence N.; Zeller, Matthias; Jackson, John A.","Crystal structures of chiral 2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphospholidin-2-one derivatives for the absolute configuration at phosphorus","Acta Crystallographica Section E","2018","74","9","1330","1335","10.1107/S2056989018011349","","","0.71073","MoKα","","0.0282","0.0243","","","0.0629","0.0644","","","","","","1.065","","","","has coordinates,has Fobs","210138","2020-10-21","18:00:00",""
"2242667","4.6775","0.0002","13.0996","0.0005","14.1984","0.0005","90","","90","","90","","869.98","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethoxy-benzaldehyde oxime","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","QM2129","Gomes, Ligia R.; de Souza, Marcus V. N.; Da Costa, Cristiane F.; Wardell, James L.; Low, John Nicolson","Crystal structures and Hirshfeld surfaces of four methoxybenzaldehyde oxime derivatives, 2-MeO-<i>X</i>C~6~H~3~C=NOH (<i>X</i> = H and 2-, 3- and 4-MeO): different conformations and hydrogen-bonding patterns","Acta Crystallographica Section E","2018","74","11","1553","1560","10.1107/S2056989018014020","","x-ray","1.54178","CuKα","","0.0658","0.058","","","0.1453","0.1512","","","","","","1.035","","","","has coordinates,has Fobs","211388","2020-10-21","18:00:00",""
"2242685","10.4311","0.0003","11.0892","0.0003","12.8868","0.0003","90","","90","","90","","1490.65","0.07","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>R</i>)-4-(4-Hydroxyphenyl)-2,2,4-trimethylthiachroman-1-oxide, ThiaDianin's sulfoxide","(<i>R</i>)-4-(4-Hydroxyphenyl)-2,2,4-trimethyl-3<i>H</i>-1λ^4^-benzothiopyran-1-one","","- C18 H20 O2 S -","- C18 H20 O2 S -","- C72 H80 O8 S4 -","4","1","KQ2023","Gall, James H.; White, J. Derek; MacNicol, David D.; Frampton, Christopher S.","The first spontaneous resolution of a sulfoxide: Dianin's compound analogue, (<i>R</i>)-4-(4-hydroxyphenyl)-2,2,4-trimethylthiachroman-1-oxide","Acta Crystallographica Section E","2018","74","11","1633","1636","10.1107/S2056989018014366","","","1.54184","CuKα","","0.0291","0.0283","","","0.0742","0.075","","","","","","1.03","","","","has coordinates,has Fobs","211567","2020-10-21","18:00:00",""
"2242728","6.924","0.002","14.007","0.003","40.339","0.008","90","","90","","90","","3912.3","1.6","302","","302","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-{2,2'-[Ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(nitro-κ<i>N</i>)(pyridine-κ<i>N</i>)cobalt(III)","","- C21 H19 Co N4 O4 -","- C21 H19 Co N4 O4 -","- C168 H152 Co8 N32 O32 -","8","2","","Ohba, Shigeru; Tsuchimoto, Masanobu; Yamada, Naoki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-{2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}(pyridine/4-methylpyridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","12","1759","1763","10.1107/S2056989018015487","","","0.71073","MoKα","","0.0679","0.0342","","","0.0655","0.0809","","","","","","1.11","","","","has coordinates,has Fobs","211892","2020-10-21","18:00:00",""
"2242751","4.6993","0.0005","10.038","0.001","30.155","0.003","90","","90","","90","","1422.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","HMBA","4-[(3-Methoxy-2-oxidobenzylidene)azaniumyl]benzoic acid methanol monosolvate","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","XU5950","Kamaal, Saima; Faizi, Md. Serajul Haque; Ali, Akram; Ahmad, Musheer; Iskenderov, Turganbay","Crystal structure of 4-[(3-methoxy-2-oxidobenzylidene)azaniumyl]benzoic acid methanol monosolvate","Acta Crystallographica Section E","2018","74","12","1847","1850","10.1107/S2056989018016262","","","0.71073","MoKα","","0.0621","0.0464","","","0.1023","0.1121","","","","","","1.08","","","","has coordinates,has Fobs","212137","2020-10-21","18:00:00",""
"2242813","11.8027","0.0007","13.2843","0.0008","19.0835","0.001","90","","90","","90","","2992.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pulcherrimin C monohydrate","5,6-Bis(benzoyloxy)-4a-hydroxy-4,7,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-<i>b</i>]furan-4-carboxylic acid monohydrate","","- C34 H38 O9 -","- C34 H38 O9 -","- C136 H152 O36 -","4","1","","Kumar, Rajesh; Ogbeide, K. Osahon; Mujeeb-Ur-Rehman; Owolabi, Bodunde; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure, Hirshfeld surface analysis and electrostatic potential study of naturally occurring cassane-type diterpenoid Pulcherrimin C monohydrate at 100K","Acta Crystallographica Section E","2019","75","2","119","123","10.1107/S2056989018017498","","","1.54178","CuKα","","0.0469","0.0398","","","0.0947","0.0983","","","","","","1.03","","","","has coordinates,has Fobs","213110","2020-10-21","18:00:00",""
"2242826","6.10537","0.0001","7.58687","0.00013","26.8196","0.0005","90","","90","","90","","1242.3","0.04","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Benzyl naphthalen-2-yl ether","2-(Benzyloxy)naphthalene","","- C17 H14 O -","- C17 H14 O -","- C68 H56 O4 -","4","1","IS5508","Kikuchi, Takuya; Gontani, Saori; Miyanaga, Kyohei; Kurata, Takaaki; Akatani, Yoshiki; Matsumoto, Shinya","Crystal structure of benzyl 2-naphthyl ether, a sensitiser for thermal paper","Acta Crystallographica Section E","2019","75","2","242","245","10.1107/S2056989019000690","","","1.54184","CuKα","","0.0448","0.0424","","","0.1041","0.1069","","","","","","1.013","","","","has coordinates,has Fobs","213224","2020-10-21","18:00:00",""
"2242880","6.7872","0.0002","11.6926","0.0003","19.4863","0.0005","90","","90","","90","","1546.43","0.07","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Heptafluorotolyl-<i>closo</i>-1,2-dicarbadodecaborane","1-(2',3',5',6'-Tetrafluoro-4'-trifluoromethylphenyl)-<i>closo</i>-1,2-dicarbadodecaborane","","- C9 H11 B10 F7 -","- C9 H11 B10 F7 -","- C36 H44 B40 F28 -","4","1","LH5894","Watson, James D.; Benton, Amanda; Tricas, Hugo; Rosair, Georgina M.; Welch, Alan J.","Crystal structure of 1-heptafluorotolyl-<i>closo</i>-1,2-dicarbadodecaborane","Acta Crystallographica Section E","2019","75","4","512","515","10.1107/S2056989019004067","","x-ray","0.71073","MoKα","","0.044","0.0387","","","0.0895","0.0919","","","","","","1.146","","","","has coordinates,has Fobs","214426","2020-10-21","18:00:00",""
"2242887","10.993","0.008","13.198","0.01","23.799","0.019","90","","90","","90","","3453","5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-Isopropyl-5-methylcyclohexyl] 2-methyl (2<i>S</i>,4<i>S</i>,5<i>R</i>)-1-[(2<i>S</i>,3<i>R</i>,5<i>R</i>)-5-methoxycarbonyl-2-(2-methylphenyl)pyrrolidine-3-carbonyl]-5-(2-methylphenyl)pyrrolidine-2,4-dicarboxylate","","- C38 H50 N2 O7 -","- C38 H50 N2 O7 -","- C152 H200 N8 O28 -","4","1","EB2015","Ivantcova, Polina M.; Sokolov, Mikhail N.; Kudryavtsev, Konstantin V.; Churakov, Andrei V.","Crystal structure of 4-[(1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyl] 2-methyl (2<i>S</i>,4<i>S</i>,5<i>R</i>)-1-[(2<i>S</i>,3<i>R</i>,5<i>R</i>)-5-methoxycarbonyl-2-(2-methylphenyl)pyrrolidine-3-carbonyl]-5-(2-methylphenyl)pyrrolidine-2,4-dicarboxylate","Acta Crystallographica Section E","2019","75","5","537","539","10.1107/S2056989019004079","","","0.71073","MoKα","","0.1295","0.0599","","","0.0918","0.1129","","","","","","1.027","","","","has coordinates,has Fobs","214467","2020-10-21","18:00:00",""
"2242895","9.1943","0.0003","12.9081","0.0004","19.4486","0.0005","90","","90","","90","","2308.18","0.12","150","0.14","150","0.14","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Sodium 1-(trimethylammonio)undecachloro-<i>closo</i>-dodecaborate sulfur dioxide","","- C3 H9 B12 Cl11 N Na O2 S -","- C3 H9 B12 Cl11 N Na O2 S -","- C12 H36 B48 Cl44 N4 Na4 O8 S4 -","4","1","CQ2030","Jenne, Carsten; van Lessen, Valentin","Na^+^[Me~3~NB~12~Cl~11~]^{-^}·SO~2~: a rare example of a sodium‒SO~2~ complex","Acta Crystallographica Section E","2019","75","5","607","610","10.1107/S2056989019004663","","x-ray","0.71073","MoKα","","0.0368","0.031","","","0.0624","0.064","","","","","","1.039","","","","has coordinates,has Fobs","214582","2020-10-21","18:00:00",""
"2242968","8.3344","0.0003","10.5937","0.0004","21.1228","0.0008","90","","90","","90","","1864.98","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>,<i>N</i>-Trimethyl-1-(4-vinylphenyl)methanaminium 4-vinylbenzenesulfonate","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","XI2014","McAdam, C. John; Hanton, Lyall R.; Moratti, Stephen C.; Simpson, Jim; Wickramasinhage, Ravindra N.","Structure and Hirshfeld surface analysis of the salt <i>N</i>,<i>N</i>,<i>N</i>-trimethyl-1-(4-vinylphenyl)methanaminium 4-vinylbenzenesulfonate","Acta Crystallographica Section E","2019","75","7","946","950","10.1107/S2056989019007758","","","1.54184","CuKα","","0.0477","0.0396","","","0.0957","0.1028","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","215709","2020-10-21","18:00:00",""
"2243002","5.4199","0.0005","10.3293","0.0009","17.4076","0.0015","90","","90","","90","","974.54","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","E27_Corley","2,3,5,6-Tetrafluoro-4-phenoxypyridine","","- C11 H5 F4 N O -","- C11 H5 F4 N O -","- C44 H20 F16 N4 O4 -","4","1","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0296","0.0284","","","0.0717","0.073","","","","","","1.05","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243004","5.4703","0.0005","9.2548","0.0009","24.109","0.002","90","","90","","90","","1220.56","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,3,5,6-Tetrafluoro-4-[(naphthalen-2-yl)oxy]pyridine","","- C15 H7 F4 N O -","- C15 H7 F4 N O -","- C60 H28 F16 N4 O4 -","4","1","HB7833","Peloquin, Andrew J.; Corley, Cynthia A.; Adas, Sonya K.; Balaich, Gary J.; Iacono, Scott T.","Crystal structures and Hirshfeld surface analysis of a series of 4-<i>O</i>-arylperfluoropyridines","Acta Crystallographica Section E","2019","75","8","1102","1107","10.1107/S2056989019009344","","","0.71073","MoKα","","0.0327","0.0306","","","0.0756","0.0775","","","","","","1.07","","","","has coordinates,has Fobs","216956","2020-10-21","18:00:00",""
"2243014","8.8417","0.0003","11.3252","0.0003","25.7003","0.0008","90","","90","","90","","2573.47","0.14","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,6-Bis(pyridin-2-yl)-4-{[(3a<i>S</i>,5<i>S</i>,5a<i>R</i>,8a<i>R</i>,8b<i>S</i>)-2,2,7,7-tetramethyltetrahydro-5<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl)methoxy]methyl}pyridazine monohydrate","","- C27 H32 N4 O7 -","- C27 H32 N4 O7 -","- C108 H128 N16 O28 -","4","1","LH5910","Filali, Mouad; Elmsellem, Hicham; Hökelek, Tuncer; El-Ghayoury, Abdelkrim; Stetsiuk, Oleh; El Hadrami, El Mestafa; Ben-Tama, Abdessalam","Crystal structure, Hirshfeld surface analysis and corrosion inhibition study of 3,6-bis(pyridin-2-yl)-4-{[(3a<i>S</i>,5<i>S</i>,5a<i>R</i>,8a<i>R</i>,8b<i>S</i>)-2,2,7,7-tetramethyltetrahydro-5<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl)methoxy]methyl}pyridazine monohydrate","Acta Crystallographica Section E","2019","75","8","1169","1174","10.1107/S2056989019009848","","","1.54184","CuKα","","0.0527","0.0475","","","0.1144","0.1207","","","","","","1.103","","","","has coordinates,has Fobs","217007","2020-10-21","18:00:00",""
"2243096","13.4775","0.0012","28.026","0.003","9.1085","0.0009","90","","90","","90","","3440.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(cyclopropylmethoxy)-4-(difluoromethoxy)-<i>N</i>-(pyridin-2-ylmethyl)\ benzamide","","- C18 H18 F2 N2 O3 -","- C18 H18 F2 N2 O3 -","- C144 H144 F16 N16 O24 -","8","2","SU5514","Artheswari, G.; Maheshwaran, V.; Gautham, N.","Crystal structure and Hirshfeld surface analysis of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)-<i>N</i>-(pyridin-2-ylmethyl)benzamide","Acta Crystallographica Section E","2019","75","10","1515","1518","10.1107/S2056989019012866","","","0.71073","MoKα","","0.0832","0.0529","","","0.1444","0.1671","","","","","","1.021","","","","has coordinates,has Fobs","218662","2020-10-21","18:00:00",""
"2243101","6.5009","0.0008","7.9735","0.0009","32.155","0.004","90","","90","","90","","1666.8","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(4-Methoxyphenyl)piperazin-1-ium 2-hydroxybenzoate","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","EX2024","Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Twelve 4-(4-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2019","75","10","1494","1506","10.1107/S2056989019012702","","","0.71073","MoKα","","0.0566","0.0411","","","0.0835","0.0892","","","","","","1.049","","","","has coordinates,has Fobs","218665","2020-10-21","18:00:00",""
"2243112","12.6269","0.0002","18.0525","0.0003","24.9524","0.0006","90","","90","","90","","5687.83","0.19","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(15,20-Bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(4-methylpyridine-3,5-diyl)\ bis[(sulfanediylmethylene)[1,1'-biphenyl]-4',2-diyl]}porphyrinato)nickel(II) dichloromethane solvate","","- C64 H33 F10 N5 Ni S2 -","- C64 H33 F10 N5 Ni S2 -","- C256 H132 F40 N20 Ni4 S8 -","4","1","HB7846","Gutzeit, Florian; Neumann, Tjorge; Näther, Christian; Herges, Rainer","Crystal structure of (15,20-bis(2,3,4,5,6-pentafluorophenyl)-5,10-{(4-methylpyridine-3,5-diyl)bis[(sulfanediylmethylene)[1,1'-biphenyl]-4',2-diyl]}porphyrinato)nickel(II) dichloromethane <i>x</i>-solvate (<i>x</i> > 1/2)","Acta Crystallographica Section E","2019","75","10","1558","1563","10.1107/S2056989019012453","","","0.71073","MoKα","","0.0548","0.043","","","0.0943","0.0994","","","","","","1.04","","","","has coordinates,has Fobs","218910","2020-10-21","18:00:00",""
"2243119","8.6618","0.0003","16.261","0.0006","19.0572","0.0004","90","","90","","90","","2684.2","0.15","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrakis(tetrahydrofuran-κ<i>O</i>)bis(trifluoromethanesulfonato-κ<i>O</i>)iron(II)","","- C18 H32 F6 Fe O10 S2 -","- C18 H32 F6 Fe O10 S2 -","- C72 H128 F24 Fe4 O40 S8 -","4","1","VN2153","Riemersma, Charl F.; Monkcom, Emily C.; Klein Gebbink, Robertus J. M.; Lutz, Martin","Crystal structure of tetrakis(tetrahydrofuran-κ<i>O</i>)bis(trifluoromethanesulfonato-κ<i>O</i>)iron(II)","Acta Crystallographica Section E","2019","75","10","1548","1551","10.1107/S2056989019013094","","","0.71073","MoKα","","0.0198","0.0191","","","0.0508","0.0512","","","","","","1.073","","","","has coordinates,has Fobs","218914","2020-10-21","18:00:00",""
"2243205","8.973","0.0005","20.9171","0.0009","23.9201","0.0011","90","","90","","90","","4489.5","0.4","104","2","104","7","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","jatrophan","(2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,7<i>S</i>,8<i>S</i>,9<i>S</i>,13<i>S</i>,14<i>S</i>,15<i>R</i>)-2,3,8,9-Tetraacetoxy-5,14-bis(benzoyloxy)-15-hydroxy-7-(isobutanoyloxy)jatropha-6(17),11(<i>E</i>)-diene","","- C46 H56 O15 -","- C46 H56 O15 -","- C184 H224 O60 -","4","1","FY2141","Yang, Hequn; Zhao, Jiangyu; Talipov, Samat; Izotova, Lidiya; Aisa, Hadji Akbar; Ibragimov, Bakhtiyar","Crystal and molecular structure of jatrophane diterpenoid (2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,7<i>S</i>,8<i>S</i>,9<i>S</i>,13<i>S</i>,14<i>S</i>,15<i>R</i>)-2,3,8,9-tetraacetoxy-5,14-bis(benzoyloxy)-15-hydroxy-7-(isobutanoyloxy)jatropha-6(17),11(<i>E</i>)-diene","Acta Crystallographica Section E","2019","75","12","1884","1887","10.1107/S205698901901541X","","","1.54184","CuKα","","0.0793","0.0563","","","0.136","0.1534","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","231079","2020-10-21","18:00:00",""
"2243236","9.5735","0.0008","9.686","0.0009","25.644","0.002","90","","90","","90","","2377.9","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","6-(4-Bromophenyl)-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C26 H18 Br Cl N4 S -","- C26 H18 Br Cl N4 S -","- C104 H72 Br4 Cl4 N16 S4 -","4","1","IS5527","Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles","Acta Crystallographica Section E","2020","76","1","18","24","10.1107/S2056989019016050","","","0.71073","MoKα","","0.0783","0.0447","","","0.0916","0.1001","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","246418","2020-10-21","18:00:00",""
"2243242","6.8473","0.0001","12.5587","0.0002","19.809","0.0003","90","","90","","90","","1703.44","0.04","150.6","0.9","150.6","0.9","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-(Adamantan-1-yl)-4-(2-bromo-4-fluorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C18 H19 Br F N3 S -","- C18 H19 Br F N3 S -","- C72 H76 Br4 F4 N12 S4 -","4","1","XI2020","Abdelrazeq, Alaa S.; Ghabbour, Hazem A.; El-Emam, Ali A.; Osman, Doaa Ahmed; Garcia-Granda, Santiago","Synthesis and crystal structure of 3-(adamantan-1-yl)-4-(2-bromo-4-fluorophenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2020","76","2","162","166","10.1107/S2056989020000092","","x-ray","1.54184","CuKα","","0.0412","0.0347","","","0.0776","0.0812","","","","","","1.051","","","","has coordinates,has Fobs","246737","2020-10-21","18:00:00",""
"2243253","6.2502","0.0003","15.7915","0.0006","20.7395","0.0009","90","","90","","90","","2046.99","0.15","100","2","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(3,4-Dimethylanilino)-<i>N</i>-(3,4-dimethylphenyl)quinoline-3-carboxamide","","- C26 H25 N3 O -","- C26 H25 N3 O -","- C104 H100 N12 O4 -","4","1","ZL2767","Gomes, Ligia R.; Low, John Nicolson; Borges, Fernanda; Gaspar, Alexandra; Mesiti, Francesco","The synthesis, crystal structure and Hirshfeld analysis of 4-(3,4-dimethylanilino)-<i>N</i>-(3,4-dimethylphenyl)quinoline-3-carboxamide","Acta Crystallographica Section E","2020","76","2","201","207","10.1107/S2056989020000298","","x-ray","0.71075","MoKα","","0.0513","0.0442","","","0.0915","0.0939","","","","","","1.078","","","","has coordinates,has Fobs","247000","2020-10-21","18:00:00",""
"2243259","9.9955","0.0005","15.8364","0.0007","31.1356","0.0014","90","","90","","90","","4928.5","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dimethyl 2,2'-[((2<i>S</i>,2'<i>S</i>)-2,2'-{[(2<i>S</i>,2'<i>S</i>)-1,1'-([1,1'-biphenyl]-2,2'-dicarbonyl)bis(pyrrolidine-1,2-diyl-2-carbonyl)]bis(azanediyl)}bis(3-phenylpropanoyl))bis(azanediyl)](2<i>S</i>,2'<i>S</i>)-dipropionate hemihydrate","","- C50 H57 N6 O10.5 -","- C50 H57 N6 O10.5 -","- C200 H228 N24 O42 -","4","1","VM2226","Le, Thuy Quynh; Nguyen, Xuan Tu; Nguyen, Hung Huy; Mac, Dinh Hung; Bui, Thai Thanh Thu","Crystal structure of a tripeptide biphenyl hybrid C~50~H~56~N~6~O~10~·0.5H~2~O","Acta Crystallographica Section E","2020","76","2","257","260","10.1107/S2056989020000584","","","0.71073","MoKα","","0.0602","0.0476","","","0.1235","0.13","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","247082","2020-10-21","18:00:00",""
"2243288","6.459","0.0002","7.3545","0.0003","31.3436","0.0012","90","","90","","90","","1488.91","0.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-5-[(<i>R</i>)-3-(4-Chlorophenyl)-5-methyl-4,5-dihydroisoxazol-5-yl]-2-methylcyclohex-2-enone","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C68 H72 Cl4 N4 O8 -","4","1","IS5530","Oubella, Ali; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Daran, Jean-Claude; Auhmani, Abdelwahed","Crystal structure of (<i>R</i>)-5-[(<i>R</i>)-3-(4-chlorophenyl)-5-methyl-4,5-dihydroisoxazol-5-yl]-2-methylcyclohex-2-enone","Acta Crystallographica Section E","2020","76","3","400","403","10.1107/S2056989020001991","","","0.71073","MoKα","","0.0389","0.0352","","","0.1015","0.105","","","","","","1.193","","","","has coordinates,has Fobs","248281","2020-10-21","18:00:00",""
"2243379","4.9279","0.0001","10.635","0.0003","15.8788","0.0004","90","","90","","90","","832.18","0.04","100","2","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-6-Oxo-2,4a,6,8a-tetrahydropyrano[3,2-<i>b</i>]pyran-2-carboxamide","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","ZL4038","Greene, John; Kopplin, Noa; Roireau, Jack; Bezpalko, Mark; Kassel, Scott; Giuliano, Michael W.; Giuliano, Robert","Synthesis and crystal structure of (2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-6-oxo-2,4a,6,8a-tetrahydropyrano[3,2-<i>b</i>]pyran-2-carboxamide","Acta Crystallographica Section E","2020","76","5","761","764","10.1107/S2056989020001292","","","0.71073","MoKα","","0.0334","0.0318","","","0.079","0.0801","","","","","","1.04","","","","has coordinates,has Fobs","251358","2020-10-21","18:00:00",""
"2243386","6.073","0.0003","15.9782","0.0009","16.386","0.0007","90","","90","","90","","1590.03","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-{2,2-Dichloro-1-[(<i>E</i>)-(4-fluorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","","- C16 H14 Cl2 F N3 -","- C16 H14 Cl2 F N3 -","- C64 H56 Cl8 F4 N12 -","4","1","VM2232","Özkaraca, Kadriye; Akkurt, Mehmet; Shikhaliyev, Namiq Q.; Askerova, Ulviyya F.; Suleymanova, Gulnar T.; Shikhaliyeva, Irada M.; Bhattarai, Ajaya","Crystal structure and Hirshfeld surface analysis of 4-{2,2-dichloro-1-[(<i>E</i>)-(4-fluorophenyl)diazenyl]ethenyl}-<i>N</i>,<i>N</i>-dimethylaniline","Acta Crystallographica Section E","2020","76","6","811","815","10.1107/S2056989020006106","","","0.71073","MoKα","","0.0473","0.034","","","0.0775","0.0844","","","","","","1.05","","","","has coordinates,has Fobs","251889","2020-10-21","18:00:00",""
"2243394","7.0961","0.0004","7.4967","0.0004","30.757","0.002","90","","90","","90","","1636.19","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(4-Fluorophenyl)piperazin-1-ium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate monohydrate","","- C14 H21 F N2 O7 -","- C14 H21 F N2 O7 -","- C56 H84 F4 N8 O28 -","4","1","WM5557","Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Archana, Sreeramapura D.; Foro, Sabine; Glidewell, Christopher","Three 4-(4-fluorophenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in one, two and three dimensions","Acta Crystallographica Section E","2020","76","6","841","847","10.1107/S2056989020006398","","","0.71073","MoKα","","0.0699","0.045","","","0.0768","0.0846","","","","","","1.14","","","","has coordinates,has Fobs","252095","2020-10-21","18:00:00",""
"2243401","7.3431","0.0001","11.5468","0.0001","25.7555","0.0003","90","","90","","90","","2183.79","0.04","100","2","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-(3,4-Dimethoxynaphthalen-2-yl)-1,3-diphenylfulvene","5-[(3,4-Dimethoxynaphthalen-2-yl)methylidene]-1,3-diphenylcyclopenta-1,3-diene","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Brown, Loren C.; Iacono, Scott T.; Balaich, Gary J.","Crystal structures of 6-cyclopropyl-1,3-diphenylfulvene and 6-(2,3-dimethoxynaphthyl)-1,3-diphenylfulvene","Acta Crystallographica Section E","2020","76","6","896","899","10.1107/S2056989020006441","","x-ray","0.71073","MoKα","","0.0374","0.0335","","","0.0794","0.0816","","","","","","1.042","","","","has coordinates,has Fobs","252315","2020-10-21","18:00:00",""
"2243420","5.1245","0.0001","12.0491","0.0002","15.7118","0.0003","90","","90","","90","","970.13","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Strontium tetracobalt tris(orthophosphate) hydroxide","","- Co4 H O13 P3 Sr -","- Co4 H O13 P3 Sr -","- Co16 H4 O52 P12 Sr4 -","4","1","WM5562","Cherif, Fatima-Zahra; Taibi, Mhamed; Boukhari, Ali; Aride, Jilali; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Crystal structure of SrCo~4~(OH)(PO~4~)~3~, a new hydroxyphosphate","Acta Crystallographica Section E","2020","76","7","1022","1026","10.1107/S2056989020007331","","","0.71073","MoKα","","0.0236","0.0215","","","0.0494","0.0498","","","","","","1.069","","","","has coordinates,has Fobs","252978","2020-10-21","18:00:00",""
"2243444","7.4958","0.0011","12.422","0.002","20.325","0.004","90","","90","","90","","1892.5","0.6","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-[(Benzoyloxy)methyl]-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl benzoate","","- C21 H18 O7 -","- C21 H18 O7 -","- C84 H72 O28 -","4","1","VM2234","Leepasert, Theerachart; Saparpakorn, Patchreenart; Chainok, Kittipong; Duangthongyou, Tanwawan","Crystal structure of 5-[(benzoyloxy)methyl]-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl benzoate","Acta Crystallographica Section E","2020","76","7","1096","1100","10.1107/S2056989020007793","","","0.71073","MoKα","","0.0383","0.0319","","","0.0763","0.0823","","","","","","1.1025","","","","has coordinates,has Fobs","253291","2020-10-21","18:00:00",""
"2243467","7.9845","0.0007","8.5641","0.0006","25.649","0.002","90","","90","","90","","1753.9","0.2","297","2","297.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>-Allyl-<i>N</i>-methyltryptammonium (MALT) hydrofumarate","[2-(1<i>H</i>-Indol-3-yl)ethyl](methyl)(prop-2-en-1-yl)azanium 3-carboxyprop-2-enoate","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","1","","Chadeayne, Andrew R.; Pham, Duyen N. K.; Golen, James A.; Manke, David R.","DMT analogues: <i>N</i>-ethyl-<i>N</i>-propyltryptamine and <i>N</i>-allyl-<i>N</i>-methytryptamine as their hydrofumarate salts","Acta Crystallographica Section E","2020","76","8","1201","1205","10.1107/S2056989020008683","","","0.71073","MoKα","","0.058","0.053","","","0.1427","0.1466","","","","","","1.104","","","","has coordinates,has Fobs","253757","2020-10-21","18:00:00",""
"2243478","5.2133","0.0003","18.3625","0.0012","26.0799","0.0019","90","","90","","90","","2496.6","0.3","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(1<i>S</i>)-1-Phenylethyl]benzamide","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","2","YK2134","Flores Manuel, Fermin; Sosa Rivadeneyra, Martha; Bernès, Sylvain","One molecule, three crystal structures: conformational trimorphism of <i>N</i>-[(1<i>S</i>)-1-phenylethyl]benzamide","Acta Crystallographica Section E","2020","76","8","1229","1233","10.1107/S2056989020008877","","x-ray","0.56083","AgKα","","0.1218","0.0383","","","0.0661","0.08","","","","","","0.742","","","","has coordinates,has Fobs","254112","2020-10-21","18:00:00",""
"2243535","12.0132","0.0007","14.0683","0.0008","15.7169","0.0011","90","","90","","90","","2656.2","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>~p~,<i>R</i>~p~)-Bis{2-[(dimethylamino)methyl]ferrocenyl}dimethylsilane","","- C28 H38 Fe2 N2 Si -","- C28 H38 Fe2 N2 Si -","- C112 H152 Fe8 N8 Si4 -","4","1","HB7933","Krupp, Anna; Wegge, Jessica; Otte, Felix; Kleinheider, Johannes; Wall, Helene; Strohmann, Carsten","Crystal structures of [(<i>N</i>,<i>N</i>-dimethylamino)methyl]ferrocene and (<i>R</i>~p~,<i>R</i>~p~)-bis{2-[(dimethylamino)methyl]ferrocenyl}dimethylsilane","Acta Crystallographica Section E","2020","76","9","1437","1441","10.1107/S2056989020010397","","x-ray","1.54178","CuKα","","0.0303","0.0277","","","0.0624","0.0646","","","","","","1.07","","","","has coordinates,has Fobs","255256","2020-10-21","18:00:00",""
"2243556","7.0614","0.0004","11.0738","0.0006","17.6541","0.001","90","","90","","90","","1380.49","0.13","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Aqua-κ<i>O</i>)(methanol-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)threoninato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","","- C12 H17 Cu N O6 -","- C12 H17 Cu N O6 -","- C48 H68 Cu4 N4 O24 -","4","1","","Katsuumi, Natsuki; Onami, Yuika; Pradhan, Sayantan; Haraguchi, Tomoyuki; Akitsu, Takashiro","Crystal structure and Hirshfeld surface analysis of (aqua-κ<i>O</i>)(methanol-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)threoninato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)","Acta Crystallographica Section E","2020","76","9","1539","1542","10.1107/S2056989020011706","","","0.71073","MoKα","","0.0843","0.0281","","","0.0643","0.0965","","","","","","1.325","","","","has coordinates,has Fobs","255740","2020-10-21","18:00:00",""
"2243560","4.4242","0.0001","6.2866","0.0002","21.4422","0.0008","90","","90","","90","","596.38","0.03","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Caesium propionate","Poly[(μ~5~-propanoato)caesium(I)]","","- C3 H5 Cs O2 -","- C3 H5 Cs O2 -","- C12 H20 Cs4 O8 -","4","1","WM5573","Fábry, Jan; Samolová, Erika","Layered alkali propanoates <i>M</i>^+^(C~2~H~5~COO)^{-^}; <i>M</i>^+^ = Na^+^, K^+^, Rb^+^, Cs^+^","Acta Crystallographica Section E","2020","76","9","1508","1513","10.1107/S2056989020011469","","x-ray","0.71073","MoKα","","0.0296","0.0271","","","0.0675","0.0685","","","","1.65","1.65","1.63","","","","has coordinates,has Fobs","255741","2020-10-21","18:00:00",""
"2243567","9.9759","0.0002","10.6052","0.0002","22.8535","0.0004","90","","90","","90","","2417.82","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(<i>E</i>)-2-(3,5-Dihydroxyphenyl)ethenyl]benzene-1,3-diol bis[(<i>S</i>)-pyrrolidin-1-ium-2-carboxylate] monohydrate","","- C24 H32 N2 O9 -","- C24 H32 N2 O9 -","- C96 H128 N8 O36 -","4","1","HB7935","Ouiyangkul, Passaporn; Saithong, Saowanit; Tantishaiyakul, Vimon","Syntheses and crystal structures of hydrated and anhydrous 1:2 cocrystals of oxyresveratrol and zwitterionic proline","Acta Crystallographica Section E","2020","76","9","1528","1534","10.1107/S2056989020011536","","","0.71073","MoKα","","0.0459","0.0439","","","0.1149","0.1167","","","","","","1.049","","","","has coordinates,has Fobs","255745","2020-10-21","18:00:00",""
"2243568","9.8293","0.0002","10.4915","0.0002","22.9863","0.0006","90","","90","","90","","2370.44","0.09","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-[(<i>E</i>)-2-(3,5-Dihydroxyphenyl)ethenyl]benzene-1,3-diol bis[(<i>S</i>)-pyrrolidin-1-ium-2-carboxylate]","","- C24 H30 N2 O8 -","- C24 H30 N2 O8 -","- C96 H120 N8 O32 -","4","1","HB7935","Ouiyangkul, Passaporn; Saithong, Saowanit; Tantishaiyakul, Vimon","Syntheses and crystal structures of hydrated and anhydrous 1:2 cocrystals of oxyresveratrol and zwitterionic proline","Acta Crystallographica Section E","2020","76","9","1528","1534","10.1107/S2056989020011536","","","0.71073","MoKα","","0.0473","0.0469","","","0.1332","0.1338","","","","","","1.088","","","","has coordinates,has Fobs","255745","2020-10-21","18:00:00",""
"2243571","8.173","0.0004","11.8143","0.0009","13.1721","0.0008","90","","90","","90","","1271.88","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-{[(2-Iodophenyl)imino]methyl}-6-methylphenol","","- C14 H12 I N O -","- C14 H12 I N O -","- C56 H48 I4 N4 O4 -","4","1","ZL2795","Kansiz, Sevgi; Agar, Tuggan; Dege, Necmi; Dogan, Onur Erman; Ahmed, Ruby; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-2-{[(2-iodophenyl)imino]methyl}-6-methylphenol","Acta Crystallographica Section E","2020","76","10","1595","1598","10.1107/S2056989020011974","","","0.71073","MoKα","","0.0444","0.0312","","","0.0598","0.0628","","","","","","0.92","","","","has coordinates,has Fobs","255919","2020-10-21","18:00:00",""
"2243649","6.9824","0.0002","13.2292","0.0004","19.4903","0.0007","90","","90","","90","","1800.35","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-Methoxyphenyl)piperazin-1-ium 2-bromobenzoate","","- C18 H21 Br N2 O3 -","- C18 H21 Br N2 O3 -","- C72 H84 Br4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.0626","0.0351","","","0.0723","0.0774","","","","","","0.939","","","","has coordinates,has Fobs","258663","2020-10-31","05:27:50",""
"2243650","7.0101","0.0004","13.3796","0.0006","19.5524","0.0006","90","","90","","90","","1833.87","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(2-Methoxyphenyl)piperazin-1-ium 2-iodobenzoate","","- C18 H21 I N2 O3 -","- C18 H21 I N2 O3 -","- C72 H84 I4 N8 O12 -","4","1","HB7950","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Rathore, Ravindranath S.; Glidewell, Christopher","Fifteen 4-(2-methoxyphenyl)piperazin-1-ium salts containing organic anions: supramolecular assembly in zero, one, two and three dimensions","Acta Crystallographica Section E","2020","76","11","1779","1793","10.1107/S2056989020014097","","","0.71073","MoKα","","0.046","0.0319","","","0.0656","0.0705","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","258663","2020-10-31","05:27:50",""
"2243692","7.3286","0.0006","11.3388","0.0007","20.304","0.001","90","","90","","90","","1687.21","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-Fluorobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H19 F N2 O2 -","- C18 H19 F N2 O2 -","- C72 H76 F4 N8 O8 -","4","1","HB7954","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions","Acta Crystallographica Section E","2021","77","1","5","13","10.1107/S2056989020015649","","","0.71073","MoKα","","0.0986","0.0444","","","0.0746","0.0875","","","","","","0.915","","","","has coordinates,has Fobs","259556","2020-12-05","05:34:52",""
"2243696","7.4528","0.0004","17.1306","0.0009","27.903","0.001","90","","90","","90","","3562.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(3-Iodobenzoyl)-4-(2-methoxyphenyl)piperazine","","- C18 H19 I N2 O2 -","- C18 H19 I N2 O2 -","- C144 H152 I8 N16 O16 -","8","2","HB7954","Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher","Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions","Acta Crystallographica Section E","2021","77","1","5","13","10.1107/S2056989020015649","","","0.71073","MoKα","","0.0878","0.0475","","","0.1009","0.1161","","","","","","1.037","","","","has coordinates,has Fobs","259556","2020-12-05","05:34:53",""
"2243730","7.1335","0.0004","11.7297","0.0006","15.4593","0.0007","90","","90","","90","","1293.54","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Methyl-3-nitro-<i>N</i>-[(<i>E</i>)-(5-nitrothiophen-2-yl)methylidene]aniline","","- C12 H9 N3 O4 S -","- C12 H9 N3 O4 S -","- C48 H36 N12 O16 S4 -","4","1","YK2142","Kansiz, Sevgi; Dege, Necmi; Ozturk, Seyhan; Akdemir, Nesuhi; Tarcan, Erdoğan; Arslanhan, Ali; Saif, Eiad","Crystal structure and Hirshfeld surface analysis of 2-methyl-3-nitro-<i>N</i>-[(<i>E</i>)-(5-nitrothiophen-2-yl)methylidene]aniline","Acta Crystallographica Section E","2021","77","2","138","141","10.1107/S2056989021000529","","","0.71073","MoKα","","0.1048","0.0528","","","0.1115","0.129","","","","","","0.905","","","","has coordinates,has Fobs","261085","2021-01-20","06:23:20",""
"2243740","10.7038","0.0003","11.6096","0.0004","17.5182","0.0005","90","","90","","90","","2176.93","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Amino-1-oxo-2,6,8-triphenyl-1,2,7,8-tetrahydroisoquinoline-4-carbonitrile","","- C28 H21 N3 O -","- C28 H21 N3 O -","- C112 H84 N12 O4 -","4","1","VM2245","Naghiyev, Farid N.; Grishina, Maria M.; Khrustalev, Victor N.; Khalilov, Ali N.; Akkurt, Mehmet; Akobirshoeva, Anzurat A.; Mamedov, İbrahim G.","Crystal structure and Hirshfeld surface analysis of 3-amino-1-oxo-2,6,8-triphenyl-1,2,7,8-tetrahydroisoquinoline-4-carbonitrile","Acta Crystallographica Section E","2021","77","2","195","199","10.1107/S2056989021000785","","","0.71073","MoKα","","0.1072","0.0539","","","0.1007","0.1234","","","","","","1.011","","","","has coordinates,has Fobs","261320","2021-01-30","06:10:44",""
"2243745","10.05103","0.00009","10.62943","0.00011","15.64759","0.00016","90","","90","","90","","1671.74","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>trans</i>-3,7,9,9-Tetramethyl-10-(prop-2-yn-1-yl)-1,2,3,4,4a,9,9a,10-octahydroacridine","","- C20 H27 N -","- C20 H27 N -","- C80 H108 N4 -","4","1","HB7966","Acelas, Mauricio; Dugarte-Dugarte, Analio; Romero Bohórquez, Arnold R.; Henao, José Antonio; Delgado, José Miguel; Díaz de Delgado, Graciela","Synthesis, crystal structure, Hirshfeld surface analysis and energy framework calculations of <i>trans</i>-3,7,9,9-tetramethyl-10-(prop-2-yn-1-yl)-1,2,3,4,4a,9,9a,10-octahydroacridine","Acta Crystallographica Section E","2021","77","3","226","232","10.1107/S2056989021001183","","x-ray","1.54184","CuKα","","0.0395","0.0391","","","0.1063","0.1065","","","","","","1.108","","","","has coordinates,has Fobs","261820","2021-02-06","07:14:34",""
"2243774","4.8436","0.0005","13.9149","0.0013","18.5479","0.0017","90","","90","","90","","1250.1","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","4-Bromo-2-formyl-1-tosyl-1<i>H</i>-pyrrole","4-Bromo-1-[(4-methylbenzene)sulfonyl]pyrrole-2-carbaldehyde","","- C12 H10 Br N O3 S -","- C12 H10 Br N O3 S -","- C48 H40 Br4 N4 O12 S4 -","4","1","TX2036","Kingsbury, Christopher J.; Sample, Harry C.; Senge, Mathias O.","Crystal structures of 4-bromo-2-formyl-1-tosyl-1<i>H</i>-pyrrole, (<i>E</i>)-4-bromo-2-(2-nitrovinyl)-1-tosyl-1<i>H</i>-pyrrole and 6-(4-bromo-1-tosylpyrrol-2-yl)-4,4-dimethyl-5-nitrohexan-2-one","Acta Crystallographica Section E","2021","77","4","341","345","10.1107/S2056989021002280","","","0.71073","MoKα","","0.0249","0.0206","","","0.0439","0.045","","","","","","1.036","","","","has coordinates,has Fobs","262795","2021-03-06","06:22:43",""
"2243822","7.4758","0.0003","7.6682","0.0006","14.801","0.0012","90","","90","","90","","848.48","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Superhydride","Potassium triethylhydridoborate","","- C6 H16 B K -","- C6 H16 B K -","- C24 H64 B4 K4 -","4","1","YZ2007","Fecker, Ann Christin; Freytag, Matthias; Walter, Marc D.; Jones, Peter G.","Crystal structure of potassium triethylhydridoborate (`superhydride')","Acta Crystallographica Section E","2021","77","6","592","595","10.1107/S2056989021004734","","","0.71073","MoKα","","0.0447","0.0357","","","0.0641","0.0678","","","","","","1.043","","","","has coordinates,has Fobs","265085","2021-05-11","04:49:19",""
"2243842","6.1313","0.0002","7.371","0.0002","38.1143","0.0011","90","","90","","90","","1722.53","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","<i>N</i>,<i>N</i>-Diisopropyl(<i>p</i>-phenylphenyl)glyoxylamide","2-([1,1'-Biphenyl]-4-yl)-2-oxo-<i>N</i>,<i>N</i>-bis(propan-2-yl)acetamide","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C80 H92 N4 O8 -","4","1","DJ2024","Miyamoto, Hisakazu; Takahashi, Hiroki","Crystal structure and photoreactive behaviour of <i>N</i>,<i>N</i>-diisopropyl(<i>p</i>-phenylphenyl)glyoxylamide","Acta Crystallographica Section E","2021","77","6","653","657","10.1107/S2056989021005387","","","0.71073","MoKα","","0.0399","0.0361","","","0.0787","0.0803","","","","","","1.045","","","","has coordinates,has Fobs","265611","2021-05-29","05:15:27",""
"2243859","6.569","0.0008","12.7956","0.0015","14.1278","0.0016","90","","90","","90","","1187.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(1<i>H</i>-Benzimidazol-1-yl)methyl]benzoic acid","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","EX2044","Ali, Arif; Muslim, Mohd; Kamaal, Saima; Ahmed, Adeeba; Ahmad, Musheer; Shahid, M.; Khan, Jamal A.; Dege, Necmi; Javed, Saleem; Mashrai, Ashraf","Crystal structure, Hirshfeld and electronic transition analysis of 2-[(1<i>H</i>-benzimidazol-1-yl)methyl]benzoic acid","Acta Crystallographica Section E","2021","77","7","755","758","10.1107/S2056989021006435","","","0.71073","MoKα","","0.0609","0.044","","","0.0819","0.091","","","","","","1.0907","","","","has coordinates,has Fobs","266840","2021-07-01","05:11:04",""
"2243874","6.4201","0.0002","17.6239","0.0007","20.8997","0.0008","90","","90","","90","","2364.74","0.15","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-{2-[(8<i>S</i>,9<i>S</i>,10<i>R</i>,11<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl]-2-oxoethyl} 2,2-dimethylpropanethioate","","- C26 H38 O5 S -","- C26 H38 O5 S -","- C104 H152 O20 S4 -","4","1","","Rousselin, Yoann; Yolka, Sylvie; Clavel, Alexandre","Crystal structures of two polymorphs of tixocortol pivalate","Acta Crystallographica Section E","2021","77","8","809","813","10.1107/S2056989021007167","","x-ray","0.71073","MoKα","","0.0298","0.0275","","","0.0699","0.0717","","","","","","1.037","","","","has coordinates,has Fobs","267668","2021-07-21","05:24:14",""
"2243875","6.0146","0.0002","19.2817","0.0007","20.9887","0.0007","90","","90","","90","","2434.1","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-{2-[(8<i>S</i>,9<i>S</i>,10<i>R</i>,11<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl]-2-oxoethyl} 2,2-dimethylpropanethioate","","- C26 H38 O5 S -","- C26 H38 O5 S -","- C104 H152 O20 S4 -","4","1","","Rousselin, Yoann; Yolka, Sylvie; Clavel, Alexandre","Crystal structures of two polymorphs of tixocortol pivalate","Acta Crystallographica Section E","2021","77","8","809","813","10.1107/S2056989021007167","","x-ray","1.54178","CuKα","","0.0639","0.0551","","","0.1256","0.1303","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","267668","2021-07-21","05:24:16",""
"2243944","6.8913","0.0005","7.6898","0.0005","19.7527","0.0014","90","","90","","90","","1046.75","0.13","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(<i>R</i>)-Baclofen","(<i>R</i>)-4-amino-3-(4-chlorophenyl)butanoic acid","","- C10 H12 Cl N O2 -","- C10 H12 Cl N O2 -","- C40 H48 Cl4 N4 O8 -","4","1","YZ2013","Belov, Feodor; Villinger, Alexander; von Langermann, Jan","(<i>R</i>)-Baclofen [(<i>R</i>)-4-amino-3-(4-chlorophenyl)butanoic acid]","Acta Crystallographica Section E","2022","78","1","33","35","10.1107/S2056989021012809","","","0.71073","MoKα","","0.0405","0.0334","","","0.0787","0.0817","","","","","","1.072","","","","has coordinates,has Fobs","272814","2022-02-06","04:34:17",""
"2243963","8.1864","0.0004","9.2061","0.0005","27.7903","0.0018","90","","90","","90","","2094.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Diethyl 2,2'-({[(1<i>E</i>,1'<i>E</i>)-(hydrazine-1,2-diylidene)bis(methanylylidene)]bis(4,1-phenylene)}bis(oxy))diacetate","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","ZN2012","Daoui, Said; Kansiz, Sevgi; Aktas, Feyzi Alkim; Dege, Necmi; Saif, Eiad; Benchat, Noureddine; Karrouchi, Khalid","Crystal structure and molecular docking study of diethyl 2,2'-({[(1<i>E</i>,1'<i>E</i>)-(hydrazine-1,2-diylidene)bis(methanylylidene)]bis(4,1-phenylene)}bis(oxy))diacetate","Acta Crystallographica Section E","2022","78","1","88","91","10.1107/S205698902101344X","","","0.71073","MoKα","","0.113","0.0729","","","0.2199","0.2455","","","","","","1.005","","","","has coordinates,has Fobs","271616","2021-12-24","02:59:05",""
"2243992","8.7761","0.0005","11.3876","0.0007","11.8654","0.0004","90","","90","","90","","1185.81","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,6-Dibromo-2,3,3-trimethyl-3<i>H</i>-indole","","- C11 H11 Br2 N -","- C11 H11 Br2 N -","- C44 H44 Br8 N4 -","4","1","ZN2011","Konovalova, Irina S.; Shishkina, Svitlana V.; Kobzev, Dmytro; Semenova, Olha; Tatarets, Anatoliy","Crystal structures and Hirshfeld analysis of 4,6-dibromoindolenine and its quaternized salt","Acta Crystallographica Section E","2021","77","12","1203","1207","10.1107/S2056989021011385","","x-ray","0.71073","MoKα","","0.0562","0.0469","","","0.1103","0.1207","","","","","","1.072","","","","has coordinates,has Fobs","271912","2022-01-06","23:12:39",""
"2243998","5.9685","0.0004","11.058","0.0009","26.215","0.002","90","","90","","90","","1730.2","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>Z</i>)-4-{[4-(3-Methyl-3-phenylcyclobutyl)thiazol-2-yl]amino}-4-oxobut-2-enoic acid","","- C18 H18 N2 O3 S -","- C18 H18 N2 O3 S -","- C72 H72 N8 O12 S4 -","4","1","JQ2012","Simsek, Okan; Dincer, Muharrem; Dege, Necmi; Saif, Eiad; Yilmaz, Ibrahim; Cukurovali, Alaaddin","Crystal structure and Hirshfeld surface analysis of (<i>Z</i>)-4-{[4-(3-methyl-3-phenylcyclobutyl)thiazol-2-yl]amino}-4-oxobut-2-enoic acid","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000032","","","0.71073","MoKα","","0.0536","0.0446","","","0.108","0.1126","","","","","","0.972","","","","has coordinates,has Fobs","271959","2022-01-08","02:47:05",""
"2244001","6.7723","0.0006","7.1806","0.0005","20.542","0.002","90","","90","","90","","998.94","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-<i>N</i>-Methyl-1-phenylethan-1-aminium chloride","","- C9 H14 Cl N -","- C9 H14 Cl N -","- C36 H56 Cl4 N4 -","4","1","DX2041","Kirchhoff, Jan-Lukas; Brieger, Lukas; Strohmann, Carsten","Crystal structure and Hirshfeld surface analysis of (<i>S</i>)-<i>N</i>-methyl-1-phenylethan-1-aminium chloride","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989021013645","","","0.71073","MoKα","","0.0114","0.011","","","0.0242","0.0244","","","","","","1.1409","","","","has coordinates","271964","2022-01-08","02:48:30",""
"2244017","5.852","0.002","12.437","0.003","12.444","0.003","90","","90","","90","","905.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(3-Hydroxypropyl)-1<i>H</i>-benzimidazole","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","DX2040","Rakhmonova, Dilnoza; Kadirova, Zukhra; Torambetov, Batirbay; Kadirova, Shakhnoza; Ashurov, Jamshid; Shishkina, Svitlana","The molecular and crystal structures of 2-(3-hydroxypropyl)benzimidazole and its nitrate salt","Acta Crystallographica Section E","2022","78","2","","","10.1107/S2056989022000585","","","1.54178","CuKα","","0.049","0.0394","","","0.0864","0.0912","","","","","","1.059","","","","has coordinates,has Fobs","272183","2022-01-21","03:02:00",""
"2244042","7.6496","0.0011","8.7565","0.0015","14.128","0.002","90","","90","","90","","946.3","0.3","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-Amino-3-(4-methoxyphenyl)isoxazole","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","HB8013","Pintro, Chirs J.; Long, Analeece K.; Amonette, Allison J.; Lobue, James M.; Padgett, Clifford W.","Crystal structures and Hirshfeld surface analysis of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid and 5-amino-3-(4-methoxyphenyl)isoxazole","Acta Crystallographica Section E","2022","78","3","336","339","10.1107/S2056989022001827","","x-ray","0.71073","MoKα","","0.1069","0.0518","","","0.1184","0.1678","","","","","","1.019","","","","has coordinates,has Fobs","273175","2022-02-26","03:01:07",""
"2244048","8.2248","0.0006","8.7542","0.0006","13.0712","0.001","90","","90","","90","","941.15","0.12","297","2","297.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serotonin or 5-hydroxytryptamine (5-HT)","3-(2-Aminoethyl)-1<i>H</i>-indol-5-ol","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","HB8014","Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Crystal structure of serotonin","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002559","","","0.71073","MoKα","","0.0364","0.0302","","","0.0696","0.0728","","","","","","1.046","","","","has coordinates,has Fobs","273637","2022-03-11","03:13:47",""
"2244052","4.7727","0.0002","17.5228","0.0008","21.8526","0.0009","90","","90","","90","","1827.56","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ceftibuten","(6<i>R</i>,7<i>R</i>)-7-{[(<i>Z</i>)-2-(2-Amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","","- C15 H14 N4 O6 S2 -","- C15 H14 N4 O6 S2 -","- C60 H56 N16 O24 S8 -","4","1","HB8008","Nisbet, Matthew L.; Puzan, Marissa; Wojtas, Lukasz; Samas, Brian; Wood, Geoffrey P. F.","Crystal structures of anhydrous and hydrated ceftibuten","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002110","","","1.54178","CuKα","","0.1163","0.0596","","","0.1212","0.1455","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","273641","2022-03-11","03:16:51",""
"2244053","4.669","0.0001","17.8029","0.0004","23.1486","0.0005","90","","90","","90","","1924.15","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ceftibuten 2.652-hydrate","(6<i>R</i>,7<i>R</i>)-7-{[(<i>Z</i>)-2-(2-Amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 2.652-hydrate","","- C15 H19.3 N4 O8.65 S2 -","- C15 H19.304 N4 O8.652 S2 -","- C60 H77.216 N16 O34.608 S8 -","4","1","","Nisbet, Matthew L.; Puzan, Marissa; Wojtas, Lukasz; Samas, Brian; Wood, Geoffrey P. F.","Crystal structures of anhydrous and hydrated ceftibuten","Acta Crystallographica Section E","2022","78","4","","","10.1107/S2056989022002110","","","1.54178","CuKα","","0.0456","0.0381","","","0.0824","0.0854","","","","","","1.043","","","","has coordinates,has Fobs","273641","2022-03-11","03:16:51",""
"2244099","6.7641","0.0003","6.9254","0.0003","31.4538","0.0014","90","","90","","90","","1473.42","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1a<i>S</i>,3a<i>R</i>,4a<i>S</i>,5a<i>R</i>)-15-Acetoxylinden-7(11),8-trieno-12,8-lactone","(4a<i>R</i>,5<i>S</i>,5a<i>R</i>,6a<i>S</i>,6b<i>R</i>)-5-(Acetoxymethyl)-4a,5,5a,6,6a,6b-hexahydro-3,6b-dimethylcyclopropa[2,3]indeno[5,6-<i>b</i>]furan-2(4<i>H</i>)-one","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","ZN2018","Lu, Qiang-Qiang; Shi, Xin-Wei; Zhou, Ya-Fu; Cui, Xin-Ai; Wang, Hong","Crystal structure and Hirshfeld analysis of (1a<i>S</i>,3a<i>R</i>,4a<i>S</i>,5a<i>R</i>)-15-acetoxylinden-7(11),8-trieno-12,8-lactone","Acta Crystallographica Section E","2022","78","6","1","0","10.1107/S2056989022004625","","","0.71073","MoKα","","0.0842","0.0505","","","0.1014","0.1168","","","","","","1.054","","","","has coordinates,has Fobs","275591","2022-05-21","02:01:57",""
"2244172","7.1185","0.0007","7.5255","0.0008","29.955","0.003","90","","90","","90","","1604.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-Phenylpiperazin-1-ium tartarate monohydrate","4-Phenylpiperazin-1-ium 4-carboxy-2,3-dihydroxybutanoate monohydrate","","- C14 H22 N2 O7 -","- C14 H22 N2 O7 -","- C56 H88 N8 O28 -","4","1","","Archana, Sreeramapura D.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Butcher, Ray J.","The structures of eleven (4-phenyl)piperazinium salts containing organic anions","Acta Crystallographica Section E","2022","78","10","1016","1027","10.1107/S2056989022009057","","","0.71073","MoKα","","0.0592","0.0445","","","0.0934","0.1003","","","","","","1.087","","","","has coordinates,has disorder,has Fobs","279115","2022-11-08","19:41:03",""
"2244181","10.0322","0.0013","12.0784","0.0015","12.9412","0.0016","90","","90","","90","","1568.1","0.3","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","chlorido[diphenyl(thiophen-2-yl)phosphine-κ<i>P</i>]gold(I)","","- C16 H13 Au Cl P S -","- C16.006 H13.005 Au Cl P S -","- C64.024 H52.02 Au4 Cl4 P4 S4 -","4","1","ZL5036","Neils, Thomas; LaDuca, Andrew; Bender, John E.; Staples, Richard J.; Biros, Shannon M.","Crystal structure of chlorido[diphenyl(thiophen-2-yl)phosphine-κ<i>P</i>]gold(I)","Acta Crystallographica Section E","2022","78","10","","","10.1107/S2056989022009227","","","0.71073","MoKα","","0.0281","0.0254","","","0.0573","0.0587","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","278236","2022-09-28","01:57:06",""
"2244205","7.9857","0.0004","9.0145","0.0004","22.1621","0.001","90","","90","","90","","1595.39","0.13","90","0.2","90","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Topiramate azidosulfate","2,3:4,5-Bis-<i>O</i>-(1-methylethylidene)-β-<i>D</i>-fructopyranose azidosulfate","","- C12 H19 N3 O8 S -","- C12 H19 N3 O8 S -","- C48 H76 N12 O32 S4 -","4","1","VM2271","Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Vinaya; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Glidewell, Christopher; Parkin, Sean","Synthesis and crystal structure of topiramate azidosulfate at 90K and 298K","Acta Crystallographica Section E","2022","78","10","984","988","10.1107/S2056989022008799","","","0.71073","MoKα","","0.0239","0.0234","","","0.0598","0.0601","","","","","","1.071","","","","has coordinates","279107","2022-11-08","19:22:50",""
"2244206","8.0717","0.0008","9.1135","0.0012","22.506","0.003","90","","90","","90","","1655.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O8 S -","- C12 H19 N3 O8 S -","- C48 H76 N12 O32 S4 -","4","1","VM2271","Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Vinaya; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Glidewell, Christopher; Parkin, Sean","Synthesis and crystal structure of topiramate azidosulfate at 90K and 298K","Acta Crystallographica Section E","2022","78","10","984","988","10.1107/S2056989022008799","","","0.71073","MoKα","","0.0386","0.0357","","","0.096","0.0987","","","","","","1.036","","","","has coordinates","279107","2022-11-08","19:22:51",""
"2244227","5.1487","0.0009","8.5316","0.0019","20.371","0.005","90","","90","","90","","894.8","0.3","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[(2-amino-5-methylpyridine)-μ~3~-phosphonato-zinc]","","- C6 H9 N2 O3 P Zn -","- C6 H9 N2 O3 P Zn -","- C24 H36 N8 O12 P4 Zn4 -","4","1","PK2681","Wark, Stephen; Lyons, Megan J.; Slawin, Alexandra M. Z.; Harrison, William T. A.","Consistent zincophosphite 4-ring 'ladder' chain structural motif with isomeric ligands.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","272","279","10.1107/S2056989023002062","","","0.71073","MoKα","","0.0216","0.021","","","0.051","0.0511","","","","","","1.007","","","","has coordinates,has Fobs","283587","2023-05-06","10:47:04",""
"2244232","6.9503","0.0014","10.585","0.002","24.975","0.005","90","","90","","90","","1837.4","0.6","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(7<i>R</i>,9<i>R</i>)-<i>N</i>-[(4-Ethylphenyl)sulfonyl]cytisine","(1<i>R</i>,5<i>R</i>)-3-[(4-Ethylphenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-8<i>H</i>-1,5-methanopyrido[1,2-<i>a</i>][1,5]diazocin-8-one","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Okmanov, Rasul Ya; Olimova, Manzura I.; Karabaeva, Surayyo B.; Sapaev, Frunza A.; Abdireymov, Kudaybergen B.","Syntheses, crystal structures and Hirshfeld surface analyses of <i>N</i>-aryl-sulfonyl derivatives of cytisine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","313","318","10.1107/S2056989023001950","","","1.54184","CuKα","","0.0393","0.0376","","","0.0924","0.0937","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","283593","2023-05-06","10:48:18",""
"2244233","7.1374","0.0014","11.448","0.002","20.844","0.004","90","","90","","90","","1703.1","0.6","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(7<i>R</i>,9<i>R</i>)-<i>N</i>-[(4-chlorophenyl)sulfonyl]cytisine","(1<i>R</i>,5<i>R</i>)-3-[(4-chlorophenyl)sulfonyl]-1,2,3,4,5,6-hexahydro-8<i>H</i>-1,5-methanopyrido[1,2-<i>a</i>][1,5]diazocin-8-one","","- C17 H17 Cl N2 O3 S -","- C17 H17 Cl N2 O3 S -","- C68 H68 Cl4 N8 O12 S4 -","4","1","","Okmanov, Rasul Ya; Olimova, Manzura I.; Karabaeva, Surayyo B.; Sapaev, Frunza A.; Abdireymov, Kudaybergen B.","Syntheses, crystal structures and Hirshfeld surface analyses of <i>N</i>-aryl-sulfonyl derivatives of cytisine.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 4","313","318","10.1107/S2056989023001950","","","1.54184","CuKα","","0.0303","0.0296","","","0.0777","0.0784","","","","","","1.05","","","","has coordinates,has Fobs","283593","2023-05-06","10:48:19",""
"2300044","22.788","0.008","13.018","0.006","6.92","0.003","90","","90","","90","","2052.8","1.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-methoxyphenyl-2-(methoxyphenyldiazenyl)-4,6-dinitrobenzamide","","- C21 H17 N5 O7 -","- C21 H17 N5 O7 -","- C84 H68 N20 O28 -","4","1","","Chernyshev, Vladimir V.; Yatsenko, Alexandr V.; Kuvshinov, Alexandr M.; Shevelev, Svyatoslav A.","Unexpected molecular structure from laboratory powder diffraction data","Journal of Applied Crystallography","2002","35","6","669","673","10.1107/S0021889802014012","","","1.5418","CuKα","","","","","","","","","","4.14","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300119","6.88","","11.91","","18.6","","90","","90","","90","","1524.1","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","?","- C64 H128 -","- C64 H128 -","","","DB5009","Immirzi, Attilio; Alfano, Davide; Tedesco, Consiglia","New solutions to the problems of chain orientation and chain continuity in structure analysis of fibrous polymers. A reconsideration of the structure of polyisobutene","Journal of Applied Crystallography","2007","40","1","10","15","10.1107/S0021889806044955","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300336","7.7598","0.001","9.9684","0.0013","18.231","0.002","90","","90","","90","","1410.2","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C60 H56 N8 O8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0539","0.0372","","","0.0759","0.0814","","","","","","1.052","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300338","7.7592","0.001","9.9677","0.0013","18.23","0.002","90","","90","","90","","1409.9","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 S -","- C15 H16 N2 O2 S -","- C60 H64 N8 O8 S4 -","4","1","KK5074","Eccles, Kevin S.; Stokes, Stephen P.; Daly, Carla A.; Barry, Nicola M.; McSweeney, Sharon P.; O'Neill, Damian J.; Kelly, Dawn M.; Jennings, W. Brian; Ní Dhubhghaill, O. M.; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Evaluation of the Bruker SMART X2S: crystallography for the nonspecialist?","Journal of Applied Crystallography","2011","44","1","213","215","10.1107/S0021889810042561","","","0.71073","MoKα","","0.0574","0.0397","","","0.0917","0.1126","","","","","","1.136","","","","has coordinates","209649","2020-10-21","18:00:00",""
"2300371","5.0784","0.0003","13.9046","0.001","14.6992","0.001","90","","90","","90","","1037.96","0.12","2","0.1","2","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cytidine","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","HE5538","Coome, J. A.; Goeta, A. E.; Howard, J. A. K.; Probert, M. R.","<i>Masquerade</i>: removing non-sample scattering from integrated reflection intensities","Journal of Applied Crystallography","2012","45","2","292","298","10.1107/S0021889812000702","","","0.71073","MoKα","","0.0721","0.0457","","","0.0822","0.0896","","","","","","1.029","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300374","35.9422","0.0005","12.91819","0.00012","4.99532","0.00003","90","","90","","90","","2319.37","0.04","298","","298","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N4 O3 -","- C25 H30 N4 O3 -","- C100 H120 N16 O12 -","4","1","DB5105","Bushmarinov, Ivan S.; Dmitrienko, Artem O.; Korlyukov, Alexander A.; Antipin, Mikhail Yu.","Rietveld refinement and structure verification using `Morse' restraints","Journal of Applied Crystallography","2012","45","6","1187","1197","10.1107/S0021889812044147","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.0134","3.818","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""
"2300384","7.979","0.003","10.274","0.003","12.103","0.004","90","","90","","90","","992.2","0.6","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Benzophenone","","","- C13 H10 O -","- C13 H10 O -","- C52 H40 O4 -","4","1","","Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H.","Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone","Journal of Applied Crystallography","2013","46","3","656","662","10.1107/S0021889813006225","","neutron","","neutron","","0.0904","0.0904","","","0.2243","0.2243","","","","","","1.07","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300385","7.7145","0.0015","10.2301","0.0015","12.0269","0.0018","90","","90","","90","","949.2","0.3","70","2","70","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Benzophenone","","","- C13 H10 O -","- C13 H10 O -","- C52 H40 O4 -","4","1","","Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H.","Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone","Journal of Applied Crystallography","2013","46","3","656","662","10.1107/S0021889813006225","","neutron","","neutron","","0.0914","0.0914","","","0.2068","0.2068","","","","","","1.044","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300386","7.9958","0.0015","10.2907","0.0019","12.174","0.002","90","","90","","90","","1001.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Benzophenone","","","- C13 H10 O -","- C13 H10 O -","- C52 H40 O4 -","4","1","","Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H.","Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone","Journal of Applied Crystallography","2013","46","3","656","662","10.1107/S0021889813006225","","","0.71073","MoKα","","0.0914","0.0478","","","0.0675","0.079","","","","","","0.971","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300392","7.3188","0.0004","11.2018","0.0006","24.0156","0.0014","90","","90","","90","","1968.89","0.19","120","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-(-)Ephedrine hemihydrate","(1R,2S)-(-)-2-(N-methylamino)-1-phenylpropan-1-ol hemihydrate","","- C10 H16 N O1.5 -","- C10 H16 N O1.5 -","- C80 H128 N8 O12 -","8","2","","Krebs, Frederik C.; Jørgensen, Mikkel; Lebech, Bente; Frydenvang, Karla","A perdeuterated cryoprotectant for neutron studies and a demonstration of its use for neutron powder diffraction onL-(−)-ephedrine hemihydrate","Journal of Applied Crystallography","2001","34","2","203","","10.1107/S0021889800018987","","","0.71073","MoKα","","0.0455","0.0335","","","0.0796","0.0843","","","","","","0.989","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300393","7.3105","0.0012","11.1878","0.0006","23.979","0.004","90","","90","","90","","1961.2","0.5","6","1","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-(-)Ephedrine hemihydrate","(1R,2S)-(-)-2-(N-methylamino)-1-phenylpropan-1-ol hemihydrate","","- C10 H16 N O1.5 -","- C10 H16 N O1.5 -","- C80 H128 N8 O12 -","8","2","","Krebs, Frederik C.; Jørgensen, Mikkel; Lebech, Bente; Frydenvang, Karla","A perdeuterated cryoprotectant for neutron studies and a demonstration of its use for neutron powder diffraction onL-(−)-ephedrine hemihydrate","Journal of Applied Crystallography","2001","34","2","203","","10.1107/S0021889800018987","","neutron","1.5418","neutron","","","","","","","","","","","","","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"2300467","5.613","0.0004","8.5301","0.0005","31.4348","0.0017","90","","90","","90","","1505.08","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2-Bromo-1,2-diphenylethenyl)benzene","","- C20 H15 Br -","- C20 H15 Br -","- C80 H60 Br4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0618","0.048","","","0.0873","0.0934","","","","","","1.033","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300468","5.6011","0.0003","8.5219","0.0004","31.4741","0.0013","90","","90","","90","","1502.32","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2-Bromo-1,2-diphenylethenyl)benzene","","- C20 H15 Br -","- C20 H15 Br -","- C80 H60 Br4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0407","0.0348","","","0.0734","0.0758","","","","","","1.022","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300469","5.6104","0.0004","8.5238","0.0004","31.496","0.002","90","","90","","90","","1506.2","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2-Bromo-1,2-diphenylethenyl)benzene","","- C20 H15 Br -","- C20 H15 Br -","- C80 H60 Br4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0583","0.0471","","","0.0895","0.0947","","","","","","1.02","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300470","5.6112","0.0004","8.5333","0.0004","31.4392","0.0014","90","","90","","90","","1505.37","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2-Bromo-1,2-diphenylethenyl)benzene","","- C20 H15 Br -","- C20 H15 Br -","- C80 H60 Br4 -","4","1","KK5175","Tan, Seng Lim; Ng, Seik Weng","Does the size of a crystal matter in an X-ray crystal structure analysis of a small molecule?","Journal of Applied Crystallography","2014","47","4","1443","1444","10.1107/S1600576714011297","","","0.71073","MoKα","","0.0584","0.0471","","","0.0896","0.0948","","","","","","1.021","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300571","5.9633","0.0001","9.0417","0.0002","18.4007","0.0004","90","","90","","90","","992.14","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0256","0.0249","","","0.0661","0.0668","","","","","","1.078","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300572","5.9641","0.0002","9.0419","0.0002","18.4027","0.0005","90","","90","","90","","992.4","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0261","0.0252","","","0.0667","0.0674","","","","","","1.105","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300573","5.9633","0.0001","9.0417","0.0002","18.4007","0.0004","90","","90","","90","","992.14","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","KS5494","Krause, Lennard; Herbst-Irmer, Regine; Stalke, Dietmar","An empirical correction for the influence of low-energy contamination","Journal of Applied Crystallography","2015","48","6","1907","1913","10.1107/S1600576715020440","","","0.71073","MoKα","","0.0262","0.0254","","","0.0674","0.068","","","","","","1.089","","","","has coordinates,has Fobs","170611","2020-10-21","18:00:00",""
"2300623","7.9986","0.0005","8.2984","0.0008","13.55","0.0009","90","","90","","90","","899.39","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C24 H64 Br4 N4 -","4","1","EI5011","Yadav, Harsh; Sinha, Nidhi; Goel, Sahil; Hussain, Abid; Kumar, Binay","Growth and structural and physical properties of diisopropylammonium bromide molecular single crystals","Journal of Applied Crystallography","2016","49","6","2053","2062","10.1107/S1600576716014552","","","0.71073","MoKα","","0.0796","0.0512","","","0.0943","0.1057","","","","","","1.129","","","","has coordinates,has Fobs","188959","2020-10-21","18:00:00",""
"2300675","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Malaspina, Lorraine A.; Genoni, Alessandro; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","The advanced treatment of hydrogen bonding in quantum crystallography","Journal of Applied Crystallography","2021","54","3","","","10.1107/S1600576721001126","","x-ray","0.35307","synchrotron","","0.0326","0.0326","","0.0193","0.0193","","","","1.5811","1.5811","1.5811","","","","","has coordinates,has disorder","264616","2021-04-28","05:22:37",""
"2300678","8.264","0.004","8.901","0.002","8.9223","0.0014","90","","90","","90","","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Malaspina, Lorraine A.; Genoni, Alessandro; Jayatilaka, Dylan; Turner, Michael J.; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","The advanced treatment of hydrogen bonding in quantum crystallography","Journal of Applied Crystallography","2021","54","3","","","10.1107/S1600576721001126","","","0.71073","MoKα","","0.0173","0.0173","","0.0147","0.0147","0.0125","","","0.7156","0.7156","0.7156","0.646","","","","has coordinates,has disorder","264619","2021-04-28","05:24:29",""
"2300695","6.676","0.004","7.531","0.004","13.279","0.007","90","","90","","90","","667.6","0.6","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","","Lu, Guihua; Zhou, Hengwei; Wei, Lai; Zhao, Xingyu; Li, Zhipeng; Huang, Yineng","Growth and characterization of large centimetre-size levoglucosan single crystals","Journal of Applied Crystallography","2023","56","2","468","476","10.1107/S1600576723001371","","","0.71073","MoKα","","0.0534","0.0384","","","0.0872","0.0947","","","","","","1.048","","","","has coordinates,has Fobs","282411","2023-04-05","11:30:37",""
"2300696","6.6601","0.0017","7.5006","0.0019","13.26","0.003","90","","90","","90","","662.4","0.3","246","2","246.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","","Lu, Guihua; Zhou, Hengwei; Wei, Lai; Zhao, Xingyu; Li, Zhipeng; Huang, Yineng","Growth and characterization of large centimetre-size levoglucosan single crystals","Journal of Applied Crystallography","2023","56","2","468","476","10.1107/S1600576723001371","","","0.71073","MoKα","","0.0365","0.0308","","","0.0655","0.0683","","","","","","1.039","","","","has coordinates,has Fobs","282411","2023-04-05","11:30:38",""
"2300697","6.6457","0.0018","7.476","0.002","13.26","0.004","90","","90","","90","","658.8","0.3","198","2","197.65","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","","Lu, Guihua; Zhou, Hengwei; Wei, Lai; Zhao, Xingyu; Li, Zhipeng; Huang, Yineng","Growth and characterization of large centimetre-size levoglucosan single crystals","Journal of Applied Crystallography","2023","56","2","468","476","10.1107/S1600576723001371","","","0.71073","MoKα","","0.0369","0.0315","","","0.0722","0.0751","","","","","","1.103","","","","has coordinates,has Fobs","282411","2023-04-05","11:30:38",""
"2300711","5.86","0.002","8.933","0.002","18.341","0.003","90","","90","","90","","960.1","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","NB5353","Graw, Nico; Ruth, Paul Niklas; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: the long way to a successful charge-density investigation.","Journal of applied crystallography","2023","56","Pt 5","1315","1321","10.1107/S1600576723007203","","","0.5134","InKα","","0.01","0.01","","","","0.014","","","","","","1.15","","","","has coordinates","286840","2023-10-06","23:59:32",""
"2300718","5.789","0.002","5.958","0.002","12.286","0.003","90","","90","","90","","423.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0334","0.0301","","","0.0737","0.0751","","","","","","1.081","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2300719","5.784","0.002","5.953","0.002","12.272","0.003","90","","90","","90","","422.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0329","0.0307","","","0.0779","0.0792","","","","","","1.109","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:44",""
"2300720","5.854","0.002","8.929","0.002","18.328","0.003","90","","90","","90","","958","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.56086","AgKα","","0.0111","0.0095","","","0.0124","0.0125","","","","","","1.07","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:45",""
"2300721","5.86","0.002","8.933","0.002","18.341","0.003","90","","90","","90","","960.1","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.009","0.0079","","","0.0124","0.0124","","","","","","1.02","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:45",""
"2300722","5.85","0.002","8.924","0.002","18.321","0.003","90","","90","","90","","956.5","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.0134","0.0116","","","0.0167","0.0168","","","","","","1.185","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:45",""
"2300723","5.854","0.002","8.929","0.002","18.328","0.003","90","","90","","90","","958","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.56086","AgKα","","0.011","0.011","","","","0.013","","","","","","1.115","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:45",""
"2300724","5.86","0.002","8.933","0.002","18.341","0.003","90","","90","","90","","960.1","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.01","0.01","","","","0.014","","","","","","1.15","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:45",""
"2300725","5.85","0.002","8.924","0.002","18.321","0.003","90","","90","","90","","956.5","0.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Ruth, Paul Niklas; Graw, Nico; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar","Indium <i>K</i>α radiation from a MetalJet X-ray source: comparison of the Eiger2 CdTe and Photon III detectors.","Journal of applied crystallography","2023","56","Pt 5","1322","1329","10.1107/S1600576723007215","","","0.5134","InKα","","0.014","0.014","","","","0.018","","","","","","1.288","","","","has coordinates,has Fobs","286841","2023-10-07","00:00:45",""
"2300729","3.9774","0.0001","10.7746","0.0002","31.2387","0.0005","90","","90","","90","","1338.73","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MBFP","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Horak, Yuriy; Butenko, Serhii; Siczek, Miłosz; Kamiński, Daniel M.","Bending the bonds: unveiling halogen interactions in the elastic polymorph of 2,5-bis(3-bromophenyl)furan","Journal of Applied Crystallography","2024","57","1","","","10.1107/S1600576723010609","","x-ray","1.54184","CuKα","","0.0315","0.0305","","","0.0811","0.0815","","","","","","1.096","","","","has coordinates,has Fobs","289170","2024-01-20","02:46:17",""
"2300732","9.1718","0.0004","9.5882","0.0003","10.5502","0.0004","90","","90","","90","","927.8","0.06","120.02","0.1","120.02","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Ca O10 -","- C4 H12 Ca O10 -","- C16 H48 Ca4 O40 -","4","1","","Kleemiss, Florian; Peyerimhoff, Norbert; Bodensteiner, Michael","Refinement of X-ray and electron diffraction crystal structures using analytical Fourier transforms of Slater-type atomic wavefunctions in <i>Olex2</i>.","Journal of applied crystallography","2024","57","Pt 1","161","174","10.1107/S1600576723010981","","x-ray","0.71073","MoKα","","0.0359","0.0318","","","0.0649","0.0674","","","","","","0.991","","","","has coordinates","290340","2024-03-05","20:46:24",""
"2310007","9.1735","0.0001","11.4736","0.0002","5.4171","0.0001","90","","90","","90","","570.166","0.016","100","","100","","","","","","","","Sigma Aldrich","4","P 21 21 21","P 2ac 2ab","19","","L-Homoserine","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","WL5156","Dittrich, B.; Sze, E.; Holstein, J. J.; Hübschle, C. B.; Jayatilaka, D.","Crystal-field effects in <small>L</small>-homoserine: multipoles <i>versus</i> quantum chemistry","Acta Crystallographica Section A","2012","68","4","435","442","10.1107/S0108767312013001","","","0.7107","MoKα","","0.0328","0.0239","","","","0.0156","","","","","","1.8986","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310111","6.18","","8.48","","9.17","","90","","90","","90","","480.567","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cs2 O (B2 O3)3","","- B6 Cs2 O10 -","- B6 Cs2 O10 -","- B12 Cs4 O20 -","2","0.5","","Krogh-Moe, J.","The Crystal Structure of Cesium Triborate, Cs2 O (B2 O3)3","Acta Crystallographica (1,1948-23,1967)","1960","13","","889","892","10.1107/S0365110X60002181","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310130","9.854","0.003","9.249","0.003","10.144","0.002","90","","90","","90","","924.5","0.4","9","2","9","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.5166","synchrotron","","0.029","0.026","","","","0.063","","","","","","1.761","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310131","9.853","0.004","9.251","0.005","10.145","0.002","90","","90","","90","","924.7","0.7","30","2","30","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.5166","synchrotron","","0.032","0.028","","","","0.066","","","","","","1.442","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310132","9.866","0.007","9.25","0.007","10.149","0.006","90","","90","","90","","926.2","1.1","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.5166","synchrotron","","0.029","0.026","","","","0.065","","","","","","1.479","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310133","9.884","0.006","9.253","0.006","10.155","0.003","90","","90","","90","","928.7","0.9","75","2","75","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.5166","synchrotron","","0.033","0.028","","","","0.074","","","","","","2.018","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310134","9.9026","0.0002","9.2485","0.0002","10.1662","0.0002","90","","90","","90","","931.06","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.7107","MoKα","","0.057","0.031","","","","0.066","","","","","","2.809","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310135","9.9408","0.0002","9.2479","0.0002","10.1875","0.0002","90","","90","","90","","936.55","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.7107","MoKα","","0.051","0.029","","","","0.069","","","","","","2.962","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310136","9.9748","0.0002","9.2492","0.0002","10.2103","0.0002","90","","90","","90","","941.99","0.03","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.7107","MoKα","","0.066","0.029","","","","0.074","","","","","","2.118","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310137","10.0123","0.0002","9.2556","0.0002","10.2441","0.0002","90","","90","","90","","949.32","0.03","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.7107","MoKα","","0.047","0.025","","","","0.063","","","","","","3.837","","","","has coordinates","288505","2023-12-22","15:12:01",""
"2310138","9.854","0.003","9.249","0.003","10.144","0.002","90","","90","","90","","924.5","0.4","9","","9","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-hydroxyproline monohydrate","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.85","neutron","","","0.0272","","","","0.0245","","","","","","0.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310139","9.9408","0.0002","9.2479","0.0002","10.1875","0.0002","90","","90","","90","","936.55","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-hydroxyproline monohydrate","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.85","neutron","","","0.0393","","","","0.0335","","","","","","0.9951","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310140","9.9748","0.0002","9.2492","0.0002","10.2103","0.0002","90","","90","","90","","941.99","0.03","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-hydroxyproline monohydrate","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.85","neutron","","","0.0449","","","","0.0447","","","","","","0.9986","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310141","10.0123","0.0002","9.2556","0.0002","10.2441","0.0002","90","","90","","90","","949.32","0.03","250","","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-hydroxyproline monohydrate","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger","On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model","Acta Crystallographica Section A","2014","70","4","309","316","10.1107/S2053273314010626","","","0.85","neutron","","","0.0511","","","","0.0502","","","","","","0.9945","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310142","10.1602","0.0002","10.4228","0.0002","16.3042","0.0003","90","","90","","90","","1726.58","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O7 -","- C16 H26 N2 O7 -","- C64 H104 N8 O28 -","4","1","","Kolstoe, Simon E.; Jenvey, Michelle C.; Purvis, Alan; Light, Mark E.; Thompson, Darren; Hughes, Peter; Pepys, Mark B.; Wood, Stephen P.","Interaction of serum amyloid P component with hexanoyl bis(<small>D</small>-proline) (CPHPC)","Acta Crystallographica Section D","2014","70","8","2232","2240","10.1107/S1399004714013455","","","0.71073","MoKα","","0.042","0.037","","","0.0823","0.0857","","","","","","1.089","","","","has coordinates,has disorder","176809","2020-10-21","18:00:00",""
"2310246","9.108","","9.108","","8.852","","90","","90","","90","","734.324","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Mo Ni -","- Mo Ni -","- Mo28 Ni28 -","28","7","","Shoemaker, C.B.; Shoemaker, D.P.","The crystal structure of the delta phase, Mo-Ni","Acta Crystallographica (1,1948-23,1967)","1963","16","","997","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310362","7.401","","7.42","","9.939","","90","","90","","90","","545.804","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ca Na (Be Si2 O6) F","","- Be Ca F Na O6 Si2 -","- Be Ca F Na O6 Si2 -","- Be4 Ca4 F4 Na4 O24 Si8 -","4","1","","Cannillo, E.; Giuseppetti, G.; Tazzoli, V.","The crystal structure of leucophanite","Acta Crystallographica (1,1948-23,1967)","1967","23","","255","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310384","8.52","","11.09","","6.69","","90","","90","","90","","632.117","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","K H2 F3","","- F3 H2 K -","- F3 K -","- F24 K8 -","8","2","","Forrester, J.D.; Zalkin, A.; Senko, M.E.; Templeton, D.H.","Crystal Structure of K H2 F3 and Geometry of the H2 F3(-) Ion","Acta Crystallographica (1,1948-23,1967)","1963","16","","58","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310396","5.9192","","17.9506","","12.5038","","90","","90","","90","","1328.57","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Rb H3 (Se O3)2","","- H3 O6 Rb Se2 -","- H3 O6 Rb Se2 -","- H24 O48 Rb8 Se16 -","8","2","","Grimm, H.; Fitzgerald, W.J.","A neutron investigation of the low-temperature structure of Rb H3 (Se O3)2","Acta Crystallographica A (24,1968-38,1982)","1978","34","","268","274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310481","16.36","","13.946","","9.978","","90","","90","","90","","2276.55","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(N H3)5 Co O2 Co (N H3)5 S O4 (H S O4)3","","- Co2 H33 N10 O18 S4 -","- Co2 H33 N10 O18 S4 -","- Co8 H132 N40 O72 S16 -","4","1","","Schaefer, W.P.; Marsh, G.E.","The Structure of Decammine - mue-peroxo-dicobalt Monosulfate Tris(bisulfate)","Acta Crystallographica (1,1948-23,1967)","1966","21","","735","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310485","7.511","","5.466","","5.224","","90","","90","","90","","214.472","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","U O3","","- O3 U -","- O3 U -","- O12 U4 -","4","1","","Siegel, S.; Hoekstra, H.R.; Sherry, E.","The Crystal Structure of High-Pressure U O3","Acta Crystallographica (1,1948-23,1967)","1966","20","","292","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310583","6.671","","9.193","","7.384","","90","","90","","90","","452.835","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cu (Se O3) (H2 O)2","","- Cu H4 O5 Se -","- Cu O5 Se -","- Cu4 O20 Se4 -","4","1","","Gattow, G.","Die Kristallstruktur von Cu Se O3 (H2 O)2 (Chalkomenit)","Acta Crystallographica (1,1948-23,1967)","1958","11","","377","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310819","7.297","","4.392","","4.885","","90","","90","","90","","156.557","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","N H2 O H","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Meyers, E.A.; Lipscomb, W.N.","The crystal structure of hydroxylamine","Acta Crystallographica (1,1948-23,1967)","1955","8","","583","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2310915","9.5","","14.66","","3.38","","90","","90","","90","","470.733","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H N O3 (H2 O)3","","- H7 N O6 -","- N O6 -","- N4 O24 -","4","1","","Luzzati, V.","Structure cristalline de H N O3 (H2 O)3. I. Resolution de la structure, utilisation de la fonction de Patterson","Acta Crystallographica (1,1948-23,1967)","1953","6","","152","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310926","4.51","","5.587","","9.7","","90","","90","","90","","244.414","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(N H3) (H2 O)","","- H5 N O -","- H5 N O -","- H20 N4 O4 -","4","1","","Olovsson, I.; Templeton, D. H.","The crystal structure of ammonia monohydrate","Acta Crystallographica (1,1948-23,1967)","1959","12","","827","832","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2311087","5.928","","12.26","","5.794","","90","","90","","90","","421.092","","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.711","MoKα","","0.0312","0.0288","","","0.0874","0.0897","","","","","","0.742","","","","has coordinates","195195","2020-10-21","18:00:00",""
"2311089","8.262","","8.9","","8.923","","90","","90","","90","","656.124","","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.71073","MoKα","","0.0387","0.0325","","","0.0703","0.0712","","","","","","1.642","","","","has coordinates","195195","2020-10-21","18:00:00",""
"2311096","8.015","0.0016","10.015","0.002","17.703","0.004","90","","90","","90","","1421","0.5","77","","77","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","TD5055","Clabbers, Max T. B.; Gruene, Tim; van Genderen, Eric; Abrahams, Jan Pieter","Reducing dynamical electron scattering reveals hydrogen atoms","Acta Crystallographica Section A","2019","75","1","82","93","10.1107/S2053273318013918","","","0.02508","Electrondiffraction","","0.1681","0.1495","","","0.3531","0.369","","","","","","1.1","","","","has coordinates,has Fobs","213453","2020-10-21","18:00:00",""
"2311097","10.996","0.002","12.452","0.002","13.218","0.003","90","","90","","90","","1809.8","0.6","77","","77","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O6 S2 -","- C18 H16 N2 O6 S2 -","- C72 H64 N8 O24 S8 -","4","1","","Clabbers, Max T. B.; Gruene, Tim; van Genderen, Eric; Abrahams, Jan Pieter","Reducing dynamical electron scattering reveals hydrogen atoms","Acta Crystallographica Section A","2019","75","1","82","93","10.1107/S2053273318013918","","","0.02508","Electrondiffraction","","0.1721","0.1543","","","0.376","0.3896","","","","","","1.109","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2311101","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.0253","0.0233","","","0.0622","0.0633","","","","","","1.144","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311102","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.0326","0.0305","","","0.082","0.082","","","","","","2.291","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311103","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.0311","0.0291","","","0.0786","0.0795","","","","","","1.435","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311104","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.018","0.018","","","","0.038","","","","","","1.146","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311105","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.021","0.021","","","","0.048","","","","","","1.442","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311106","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.022","0.022","","","","0.049","","","","","","1.476","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311197","5.1506","0.0006","15.334","0.002","22.965","0.005","90","","90","","90","","1813.8","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>-(1,3-Benzodioxol-5-yl)-1-(4-{[1-(prop-2-en-1-yl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}phenyl)methanimine","","- C20 H18 N4 O3 -","- C20 H18 N4 O3 -","- C80 H72 N16 O12 -","4","1","HB7140","Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Büyükgüngör, Orhan","(E)-N-(1,3-Benzodioxol-5-yl)-1-(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}phen-yl)methanimine.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1576","","10.1107/S1600536813025749","","","0.71073","MoKα","","0.096","0.0463","","","0.0883","0.1032","","","","","","0.903","","","","has coordinates","245669","2020-10-21","18:00:00",""
"2311215","9.847","0.002","10.492","0.003","17.819","0.004","90","","90","","90","","1841","0.8","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(Thiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,5-benzothiazepine","","- C20 H14 F3 N S2 -","- C20 H14 F3 N S2 -","- C80 H56 F12 N4 S8 -","4","1","JJ2182","Manjunath, B. C.; Manjula, M.; Raghavendra, K. R.; Ajay Kumar, K.; Lokanath, N. K.","4-(Thio-phen-2-yl)-2-[4-(tri-fluoro-meth-yl)phen-yl]-2,3-di-hydro-1,5-benzo-thia-zepine.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 3","o261","","10.1107/S1600536814002529","","","1.54178","CuKα","","0.0961","0.0846","","","0.2161","0.2394","","","","","","1.034","","","","has coordinates","245688","2020-10-21","18:00:00",""
"2311243","6.2091","0.0009","13.1804","0.0019","17.391","0.003","90","","90","","90","","1423.3","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4'-Phenyl-3,4-dihydro-2<i>H</i>-spiro[naphthalene-1,3'-[1,2,4]triazole]-5'-thione","","- C17 H15 N3 S -","- C17 H15 N3 S -","- C68 H60 N12 S4 -","4","1","XU5795","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","4'-Phenyl-3,4-di-hydro-2H-spiro-[naph-tha-lene-1,3'-[1,2,4]triazole]-5'-thione.","Acta crystallographica. Section E, Structure reports online","2014","70","Pt 6","o740","1","10.1107/S1600536814012409","","","0.71073","MoKα","","0.04","0.0352","","","0.0815","0.0851","","","","","","1.04","","","","has coordinates","245716","2020-10-21","18:00:00",""
"2311256","7.633","0.002","14.455","0.004","16.504","0.004","90","","90","","90","","1821","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C84 H104 N8 O12 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0273","0.026","","","0.0664","0.0676","","","","","","1.057","","","","has coordinates","245732","2020-10-21","18:00:00",""
"2311258","5.094","0.002","7.745","0.002","15.941","0.002","90","","90","","90","","628.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54184","CuKα","","0.0244","0.0243","","","0.0636","0.0636","","","","","","1.143","","","","has coordinates","245734","2020-10-21","18:00:00",""
"2311259","8.54","0.002","11.086","0.002","17.344","0.003","90","","90","","90","","1642","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C84 H88 N8 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0258","0.0251","","","0.0659","0.0667","","","","","","1.064","","","","has coordinates","245735","2020-10-21","18:00:00",""
"2311260","8.513","0.002","11.527","0.002","17.855","0.004","90","","90","","90","","1752.1","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N3 -","- C21 H29 N3 -","- C84 H116 N12 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0247","0.0247","","","0.0647","0.0647","","","","","","1.105","","","","has coordinates","245736","2020-10-21","18:00:00",""
"2311261","5.791","0.002","5.944","0.002","12.269","0.002","90","","90","","90","","422.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0217","0.0215","","","0.0594","0.0598","","","","","","1.145","","","","has coordinates","245737","2020-10-21","18:00:00",""
"2311262","11.25751","0.00006","15.43442","0.00009","22.52516","0.00013","90","","90","","90","","3913.82","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N6 O -","- C19 H26 N6 O -","- C152 H208 N48 O8 -","8","2","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54184","CuKα","","0.041","0.0406","","","0.1107","0.1112","","","","","","1.032","","","","has coordinates,has disorder","245738","2020-10-21","18:00:00",""
"2311263","6.816","0.002","8.446","0.003","21.186","0.007","90","","90","","90","","1219.6","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O -","- C14 H19 N O -","- C56 H76 N4 O4 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0277","0.0275","","","0.0684","0.0686","","","","","","1.094","","","","has coordinates","245739","2020-10-21","18:00:00",""
"2311267","6.0196","0.0002","12.7041","0.0004","21.6151","0.0004","90","","90","","90","","1652.98","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C84 H88 N8 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0264","0.0262","","","0.0663","0.0665","","","","","","1.082","","","","has coordinates","245743","2020-10-21","18:00:00",""
"2311268","8.695","0.003","10.114","0.003","15.544","0.005","90","","90","","90","","1367","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0251","0.0251","","","0.0655","0.0656","","","","","","1.106","","","","has coordinates","245744","2020-10-21","18:00:00",""
"2311269","8.414","0.001","13.76","0.002","19.299","0.002","90","","90","","90","","2234.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0251","0.0245","","","0.0606","0.0612","","","","","","1.05","","","","has coordinates","245745","2020-10-21","18:00:00",""
"2311271","11.25467","0.00007","15.43831","0.00008","22.51824","0.00011","90","","90","","90","","3912.61","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N6 O -","- C19 H26 N6 O -","- C152 H208 N48 O8 -","8","2","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54184","CuKα","","0.0421","0.0411","","","0.1102","0.1113","","","","","","1.031","","","","has coordinates,has disorder","245747","2020-10-21","18:00:00",""
"2311278","9.965","0.002","10.982","0.002","16.926","0.003","90","","90","","90","","1852.3","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,7,8,9-Tetrachloro-4-(2-fluorobenzyl)-10,10-dimethoxy-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C17 H12 Cl4 F N O4 -","- C17 H12 Cl4 F N O4 -","- C68 H48 Cl16 F4 N4 O16 -","4","1","HB7331","Zhong, Jia-Liang; Hou, Jia-Wei; Liu, Li-Hong; Liu, He","Crystal structure of 1,7,8,9-tetra-chloro-4-(2-fluoro-benz-yl)-10,10-dimeth-oxy-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-ene-3,5-dione.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 1","o32","","10.1107/S2056989014026279","","","0.71073","MoKα","","0.0679","0.0456","","","0.0928","0.1008","","","","","","1","","","","has coordinates","245751","2020-10-21","18:00:00",""
"2311279","8.25131","0.0001","11.85605","0.00014","12.9415","0.00015","90","","90","","90","","1266.04","0.03","99.8","0.4","99.8","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>fac</i>-(Acetonitrile-κ<i>N</i>)trichlorido[(1,2,5,6-η)-cycloocta-1,5-diene]iridium(III)","","- C10 H15 Cl3 Ir N -","- C10 H15 Cl3 Ir N -","- C40 H60 Cl12 Ir4 N4 -","4","1","PK2547","Morris, David M.; Merola, Joseph S.","Serendipitous preparation of fac-(aceto-nitrile-κN)tri-chlorido-[(1,2,5,6-η)-cyclo-octa-1,5-diene]iridium(III).","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 4","371","373","10.1107/S2056989015004855","","","0.71073","MoKα","","0.0206","0.0188","","","0.0368","0.0375","","","","","","1.081","","","","has coordinates","245752","2020-10-21","18:00:00",""
"2311311","7.43","0.003","11.963","0.006","12.648","0.006","90","","90","","90","","1124.2","0.9","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(Pyrrolidine-1-carbonyl)-4<i>H</i>-chromen-4-one","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Gomes, Ligia R.; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Borges, Fernanda","A comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","1270","1277","10.1107/S2056989015017958","","","0.71075","MoKα","","0.0735","0.0686","","","0.1483","0.1521","","","","","","1.07","","","","has coordinates","245783","2020-10-21","18:00:00",""
"2311319","6.8118","0.0009","13.6726","0.0018","15.909","0.002","90","","90","","90","","1481.7","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","8-Ethoxy-3-(4-nitrophenyl)-2<i>H</i>-chromen-2-one","","- C17 H13 N O5 -","- C17 H13 N O5 -","- C68 H52 N4 O20 -","4","1","SU5224","Walki, Shashikanth; Naveen, S.; Kenchanna, S.; Mahadevan, K. M.; Kumara, M. N.; Lokanath, N. K.","Crystal structure of 8-eth-oxy-3-(4-nitro-phen-yl)-2H-chromen-2-one.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 11","o860","1","10.1107/S2056989015019325","","","1.54178","CuKα","","0.047","0.045","","","0.1276","0.1311","","","","","","1.028","","","","has coordinates","245790","2020-10-21","18:00:00",""
"2311322","8.198","0.0001","10.029","0.0002","16.772","0.0003","90","","90","","90","","1378.96","0.04","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4-Dihydroxy-3-hydroxymethyl-9-methyl-6-methylidene-3a,4,5,6,6a,9,9a,9b-octahydroazuleno[4,5-<i>b</i>]furan-2,8(3<i>H</i>,7<i>H</i>)-dione","","- C15 H20 O6 -","- C15 H20 O6 -","- C60 H80 O24 -","4","1","RZ5172","Çelik, Ísmail; Akkurt, Mehmet; Akşit, Hüseyin; Erenler, Ramazan; García-Granda, Santiago","Crystal structure and computational study of 3,4-dihy-droxy-3-hy-droxy-methyl-9-methyl-6-methyl-idene-3a,4,5,6,6a,9,9a,9b-octa-hydro-azuleno[4,5-b]furan-2,8(3H,7H)-dione.","Acta crystallographica. Section E, Crystallographic communications","2015","71","Pt 12","1425","1428","10.1107/S2056989015019623","","","1.54184","CuKα","","0.0375","0.035","","","0.0929","0.0961","","","","","","1.053","","","","has coordinates","245792","2020-10-21","18:00:00",""
"2311336","5.8403","0.0005","16.3195","0.0013","17.3615","0.0014","90","","90","","90","","1654.7","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-{4-Hydroxy-3-[(pyrrolidin-1-yl)methyl]phenyl}-3-phenylprop-2-en-1-one","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","HB7576","Aydın, Abdullah; Akkurt, Mehmet; Gul, Halise Inci; Yerdelen, Kadir Ozden; Celik, Raziye Catak","Crystal structure of 1-{4-hy-droxy-3-[(pyrrolidin-1-yl)meth-yl]phen-yl}-3-phenyl-prop-2-en-1-one.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 5","696","698","10.1107/S2056989016006009","","","0.71073","MoKα","","0.0491","0.0426","","","0.1122","0.1175","","","","","","1.034","","","","has coordinates","245804","2020-10-21","18:00:00",""
"2311344","7.1114","0.0004","16.3899","0.0012","32.812","0.002","90","","90","","90","","3824.4","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,4a,7,7,10a-Pentamethyl-3-vinyldodecahydro-1<i>H</i>-benzo[<i>f</i>]chromen-9-ol","","- C20 H34 O2 -","- C20 H34 O2 -","- C160 H272 O16 -","8","2","BG2593","Çelik, Ísmail; Ersanlı, Cem Cüneyt; Köseoğlu, Rahmi; Akşit, Hüseyin; Erenler, Ramazan; Demirtaş, Ibrahim; Akkurt, Mehmet","Crystal structure of 3,4a,7,7,10a-penta-methyl-3-vinyl-dodeca-hydro-1<i>H</i>-benzo[<i>f</i>]chromen-9-ol isolated from <i>Sideritis perfoliata</i>.","Acta crystallographica. Section E, Crystallographic communications","2016","72","Pt 10","1380","1382","10.1107/S2056989016013864","","","0.71073","MoKα","","0.134","0.0603","","","0.1089","0.1296","","","","","","1.021","","","","has coordinates","245811","2020-10-21","18:00:00",""
"2311384","10.4539","0.0001","15.1917","0.0001","24.3677","0.0002","90","","90","","90","","3869.9","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-2-[(2<i>R</i>,3<i>S</i>)-3-(2,5-Dichlorobenzamido)-2-(2,5-dichlorobenzoyloxy)-4-phenylbutyl]-<i>N</i>-<i>tert</i>-butyldecahydroisoquinoline-3-carboxamide","","- C38 H43 Cl4 N3 O4 -","- C38 H43 Cl4 N3 O4 -","- C152 H172 Cl16 N12 O16 -","4","1","PK2602","Cunico, Wilson; Ferreira, Maria de Lourdes G; Wardell, James L.; Harrison, William T. A.","Different intra- and inter-molecular hydrogen-bonding patterns in (3<i>S</i>,4a<i>S</i>,8a<i>S</i>)-2-[(2<i>R</i>,3<i>S</i>)-3-(2,5-<i>X</i><sub>2</sub>-benzamido)-2-(2,5-<i>X</i><sub>2</sub>-benzo-yloxy)-4-phenyl-butyl]-<i>N</i>-<i>tert</i>-butyldeca-hydro-iso-quinoline-3-carboxamides (<i>X</i> = H or Cl): compounds with moderate aspartyl protease inhibition activity.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 6","913","917","10.1107/S2056989017007800","","","1.54184","CuKα","","0.038","0.0375","","","0.0994","0.0998","","","","","","1.051","","","","has coordinates","245840","2020-10-21","18:00:00",""
"2311400","6.6663","0.0003","10.6256","0.0005","33.3005","0.0017","90","","90","","90","","2358.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Pulcherrin J","(4a<i>R</i>,5<i>S</i>,6a<i>R</i>,11a<i>R</i>,11b<i>R</i>)-4a-Hydroxy-4,4,11b-trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-<i>b</i>]furan-5-yl cinnamate","","- C29 H36 O4 -","- C29 H36 O4 -","- C116 H144 O16 -","4","1","HB7687","Ogbeide, K. Osahon; Mujeeb-Ur-Rehman, ?; Owolabi, J. Bodunde; Falodun, Abiodun; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal structure and Hirshfeld surface analysis of pulcherrin J.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1572","1575","10.1107/S2056989017011239","","","1.54178","CuKα","","0.0531","0.0384","","","0.0769","0.0817","","","","","","1.047","","","","has coordinates","245855","2020-10-21","18:00:00",""
"2311403","5.5357","0.0016","8.548","0.002","27.026","0.007","90","","90","","90","","1278.8","0.6","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2-amino-1-(4-fluorophenyl)-5-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carboxylate:","","- C13 H13 F N2 O3 -","- C13 H13 F N2 O3 -","- C52 H52 F4 N8 O12 -","4","1","DS2246","Patel, U. H.; Jotaniya, Chintan; Shah, D. A.; Socha, Bhavesh","Ethyl 2-amino-1-(4-fluoro-phen-yl)-5-oxo-4,5-di-hydro-1<i>H</i>-pyrrole-3-carboxyl-ate: crystal structure and Hirshfeld surface analysis.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1336","1340","10.1107/S2056989017011628","","","0.71073","MoKα","","","0.075","","","","0.148","","","","","","1.181","","","","has coordinates","245858","2020-10-21","18:00:00",""
"2311408","6.862","0.002","7.491","0.002","18.047","0.005","90","","90","","90","","927.7","0.4","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","<i>catena</i>-Poly[[aquachloridomanganese(II)]-di-μ-chlorido-[aquachloridomanganese(II)]-bis(μ-2-methylpyridine <i>N</i>-oxide)]","","- C6 H9 Cl2 Mn N O2 -","- C6 H9 Cl2 Mn N O2 -","- C24 H36 Cl8 Mn4 N4 O8 -","4","1","","Kang, Linda; Lynch, Genevieve; Lynch, Will; Padgett, Clifford","Manganese(II) chloride complexes with pyridine <i>N</i>-oxide (PNO) derivatives and their solid-state structures.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1434","1438","10.1107/S2056989017012038","","","0.71075","MoKα","","0.0631","0.0511","","","0.094","0.1","","","","","","1.119","","","","has coordinates,has disorder","245862","2020-10-21","18:00:00",""
"2311421","8.93","0.0002","10.8141","0.0003","18.6398","0.0005","90","","90","","90","","1800.04","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Benzenesulfonyl-2-methyl-3-[(thiophen-2-yl)carbonyl]-2,3-dihydro-1<i>H</i>-indole","","- C20 H15 N O3 S2 -","- C20 H15 N O3 S2 -","- C80 H60 N4 O12 S8 -","4","1","FF2151","Dhanalakshmi, G.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.; Aravindhan, S.","Crystal structures of 1-benzene-sulfon-yl-2-methyl-3-(4-nitro-benzoyl)-2,3-di-hydro-1<i>H</i>-indole and 1-benzene-sulfon-yl-2-methyl-3-[(thio-phen-2-yl)carbon-yl]-2,3-di-hydro-1<i>H</i>-indole.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1555","1559","10.1107/S2056989017012804","","","1.54178","CuKα","","0.0422","0.0394","","","0.1038","0.1064","","","","","","1.061","","","","has coordinates","245871","2020-10-21","18:00:00",""
"2311422","7.6131","0.0005","11.7216","0.0007","27.7076","0.0017","90","","90","","90","","2472.6","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6a<i>R</i>,6 b<i>R</i>,8a<i>S</i>,9a<i>R</i>,12a<i>R</i>,14b<i>R</i>)-4,4,6a,6 b,8a,14b-Hexamethyl-12-methyleneicosahydro-3<i>H</i>-phenanthro[1',2':6,7]indeno[2,1-<i>b</i>]furan-3,11(2<i>H</i>)-dione","","- C30 H44 O3 -","- C30 H44 O3 -","- C120 H176 O12 -","4","1","LH4023","Herrera-España, Angel D; Mena-Rejón, Gonzalo J; Hernández-Ortega, Simón; Quijano, Leovigildo; Mirón-López, Gumersindo","Crystal structure of ochraceolide A isolated from <i>Elaeodendron trichotomum</i> (Turcz.) Lundell.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1475","1478","10.1107/S2056989017012816","","","1.54178","CuKα","","0.0668","0.0608","","","0.1565","0.1639","","","","","","1.088","","","","has coordinates","245872","2020-10-21","18:00:00",""
"2311426","7.4849","0.0002","16.2063","0.0004","20.0959","0.0007","90","","90","","90","","2437.68","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-Methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate","2-Methylpyridinium hydrogen 2,3-bis(4-methylbenzoyloxy)succinate","","- C26 H25 N O8 -","- C26 H25 N O8 -","- C104 H100 N4 O32 -","4","1","ZS2388","Sivakumar, P.; Israel, S.; Chakkaravarthi, G.","Crystal structures of 2-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate and bis-[4-methyl-pyridinium hydrogen 2,3-bis-(4-methyl-benzo-yloxy)succinate] penta-hydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1483","1487","10.1107/S2056989017012981","","","0.71073","MoKα","","0.1088","0.0526","","","0.104","0.1237","","","","","","1.013","","","","has coordinates","245875","2020-10-21","18:00:00",""
"2311436","9.899","0.0013","10.103","0.0016","28.961","0.006","90","","90","","90","","2896.4","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9α,11α-Epoxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-diacetate","","- C31 H48 O6 -","- C31 H48 O6 -","- C124 H192 O24 -","4","1","RZ5221","Piccialli, Vincenzo; Tuzi, Angela; Centore, Roberto","Crystal structure of an ep-oxy-sterol: 9α,11α-ep-oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di-acetate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1603","1606","10.1107/S2056989017013391","","","0.71073","MoKα","","0.1117","0.0577","","","0.1041","0.1212","","","","","","1.022","","","","has coordinates,has disorder","245884","2020-10-21","18:00:00",""
"2311486","9.366","0.005","15.203","0.005","23.07","0.005","90","","90","","90","","3285","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(4-4'-diammonio-diphenyl)sulfone tetra(nitrate) monohydrate","Bis[bis(4-azaniumylphenyl) sulfone] tetranitrate monohydrate","","- C12 H15 N8 O8.5 S -","- C12 H15 N4 O8.5 S -","- C96 H120 N32 O68 S8 -","8","2","ZS2390","Benahsene, Amani Hind; Bendjeddou, Lamia; Merazig, Hocine","Crystal structure of bis[bis(4-azaniumylphenyl) sulfone] tetranitrate monohydrate.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 11","1721","1725","10.1107/S2056989017014803","","","0.71073","MoKα","","0.1241","0.0632","","","0.1613","0.2008","","","","","","0.979","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311514","9.7298","0.0006","11.8643","0.0005","14.4933","0.0007","90","","90","","90","","1673.07","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1S,4S-2,5-diazabicyclo[2.2.1]heptane dihydrobromode","(1<i>S</i>,4<i>S</i>)-2,5-Diazoniabicyclo[2.2.1]heptane dibromide","","- C5 H12 Br2 N2 -","- C5 H12 Br2 N2 -","- C40 H96 Br16 N16 -","8","2","LH5858","Britvin, Sergey N.; Rumyantsev, Andrey M.","Crystal structure of (1<i>S</i>,4<i>S</i>)-2,5-diazo-niabi-cyclo[2.2.1]heptane dibromide.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 12","1861","1865","10.1107/S2056989017015870","","","0.71073","MoKα","","0.0147","0.0143","","","0.0351","0.0353","","","","","","1.023","","","","has coordinates","245949","2020-10-21","18:00:00",""
"2311561","8.78","0.0018","11.443","0.002","16.573","0.003","90","","90","","90","","1665.1","0.5","260","2","260","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Silver [(propane-1,3-diyldinitrilo-κ^2^<i>N</i>,<i>N</i>')tetraacetato-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']chromate(III)","","- C11 H20 Ag Cr N2 O11 -","- C11 H20 Ag Cr N2 O11 -","- C44 H80 Ag4 Cr4 N8 O44 -","4","1","NK2244","Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha","Crystal structure of silver [(propane-1,3-diyl-dinitrilo-κ<sup>2</sup><i>N</i>,<i>N</i>')-tetra-acetato-κ<sup>4</sup><i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']chromate(III) from synchrotron X-ray data.","Acta crystallographica. Section E, Crystallographic communications","2018","74","Pt 3","278","281","10.1107/S2056989018001743","","","0.61","synchrotron","","0.0246","0.0198","","","0.0505","0.051","","","","","","1.072","","","","has coordinates","245984","2020-10-21","18:00:00",""
"2311622","12.496","0.0015","15.645","0.0014","35.653","0.003","90","","90","","90","","6970.2","1.2","5","","5","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cyclosporine A","(E)-14,17,26,32-tetrabutyl-5-ethyl-8-(1-hydroxy-2-methylhex-4-enyl)- 1,3,9,12,15,18,20,23,27-nonamethyl-11,29-dipropyl- 1,3,6,9,12,15,18,21,24,27,30-undecaazacyclodotriacontan- 2,4,7,10,13,16,19,22,25,28,31-undecaone","","- C62 H112.5 N11 O12.75 -","- C62 H112.507 N11 O12.7535 -","- C248 H450.028 N44 O51.014 -","4","1","DZ5137","Johnas, S. K. J.; Dittrich, B.; Meents, A.; Messerschmidt, M.; Weckert, E. F.","Charge-density study on cyclosporine A.","Acta crystallographica. Section D, Biological crystallography","2009","65","Pt 3","284","293","10.1107/S0907444908040602","","","0.6261","monochromatedsynchrotronradiation","","0.025","0.0246","","","","0.0571","","","","","","3.6987","","","","has coordinates","246036","2020-10-21","18:00:00",""
"2311630","8.5456","0.0017","11.74","0.002","19.269","0.004","90","","90","","90","","1933.2","0.6","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O8 -","- C18 H20 Cl N O8 -","- C72 H80 Cl4 N4 O32 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 1","54","62","10.1107/S2052520613026711","","","0.71073","MoKα","","0.041","0.0401","","","0.109","0.1099","","","","","","1.142","","","","has coordinates","246065","2020-10-21","18:00:00",""
"2311631","8.6852","0.0017","15.047","0.003","27.605","0.006","90","","90","","90","","3607.6","1.3","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19.5 Cl N0.5 O7 -","- C18 H19.5 Cl N0.5 O7 -","- C144 H156 Cl8 N4 O56 -","8","2","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Solvates of the antifungal drug griseofulvin: structural, thermochemical and conformational analysis.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2014","70","Pt 1","54","62","10.1107/S2052520613026711","","","0.71073","MoKα","","0.0581","0.051","","","0.1078","0.1167","","","","","","1.089","","","","has coordinates","279947","2022-12-20","10:58:45",""
"2311675","6.5715","0.0002","15.0533","0.0004","17.0598","0.0005","90","","90","","90","","1687.6","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4-dinitrobenzylidene-p-phenylaminoaniline","N-[4-(2,4-dinitrobenzylideneamino)phenyl]phenylamine","","- C19 H14 N4 O4 -","- C19 H14 N4 O4 -","- C76 H56 N16 O16 -","4","1","AO5005","Souza, Talita Evelyn; Rosa, Iara Maria Landre; Legendre, Alexandre Oliveira; Paschoal, Diego; Maia, Lauro J. Q.; Dos Santos, Hélio F; Matins, Felipe Terra; Doriguetto, Antonio Carlos","Non-centrosymmetric crystals of new N-benzylideneaniline derivatives as potential materials for non-linear optics.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2015","71","Pt 4","416","426","10.1107/S2052520615008859","","","1.5418","CuKα","","0.0377","0.0318","","","0.0803","0.0843","","","","","","1.05","","","","has coordinates","246079","2020-10-21","18:00:00",""
"2311807","3.9338","0.0005","14.022","0.003","14.126","0.003","90","","90","","90","","779.2","0.3","277","2","277","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Dimethyl-3-nitrobenzene","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Sparkes, Hazel A.; Sage, Henry J.; Yufit, Dmitry S.","In-situ cryocrystallization of 1,2-dimethyl-3-nitrobenzene and 2,4-dimethyl-1-nitrobenzene.","Acta crystallographica. Section C, Structural chemistry","2014","70","Pt 9","872","875","10.1107/S2053229614017896","","","0.71073","MoKα","","0.0417","0.0347","","","0.1027","0.1102","","","","","","1.068","","","","has coordinates","246124","2020-10-21","18:00:00",""
"2311853","6.3318","0.0003","10.3065","0.0005","23.1616","0.001","90","","90","","90","","1511.5","0.12","175","","175","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[Cyclohexyl(methyl)amino]-5,5-dimethyl-1,3,2λ^5^-diazaphosphinan-2-one","","- C12 H26 N3 O P -","- C12 H26 N3 O P -","- C48 H104 N12 O4 P4 -","4","1","FP3025","Keikha, Mojtaba; Pourayoubi, Mehrdad; Tarahhomi, Atekeh; van der Lee, Arie","Syntheses and structures of four new mixed-amide phosphoric triamides.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 3","251","259","10.1107/S2053229616001595","","","0.71073","MoKα","","0.0625","0.0485","","0.1244","0.1086","0.1207","","","","","","0.9665","","","","has coordinates","246139","2020-10-21","18:00:00",""
"2311867","3.9329","0.0017","8.615","0.004","17.836","0.007","90","","90","","90","","604.3","0.5","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lithium chloride-pyridine solvate","<i>catena</i>-Poly[[(pyridine-κ<i>N</i>)lithium]-μ~3~-chlorido]","","- C5 H5 Cl Li N -","- C5 H5 Cl Li N -","- C20 H20 Cl4 Li4 N4 -","4","1","KY3111","Jalil, AbdelAziz; Clymer, Rebecca N.; Hamilton, Clifton R.; Vaddypally, Shivaiah; Gau, Michael R.; Zdilla, Michael J.","Structure of salts of lithium chloride and lithium hexafluorophosphate as solvates with pyridine and vinylpyridine and structural comparisons: (C<sub>5</sub>H<sub>5</sub>N)LiPF<sub>6</sub>, [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]LiPF<sub>6</sub>, [(C<sub>5</sub>H<sub>5</sub>N)LiCl]<sub>n</sub>, and [p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>Li(μ-Cl)<sub>2</sub>Li[p-(CH<sub>2</sub>=CH)C<sub>5</sub>H<sub>4</sub>N]<sub>2</sub>.","Acta crystallographica. Section C, Structural chemistry","2017","73","Pt 3","264","269","10.1107/S205322961700064X","","","0.71073","MoKα","","0.0342","0.0293","","","0.0652","0.0672","","","","","","1.058","","","","has coordinates","246146","2020-10-21","18:00:00",""
"2312003","25.8641","0.0005","13.2022","0.0002","4.05295","0.00005","90","","90","","90","","1383.93","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[1-(3-Hydroxyanilino)ethylidene]-3<i>H</i>-chromene-2,4-dione","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","CU3150","Brahmia, Ameni; Marzouki, Riadh; Rohlicek, Jan; Irfan, Ahmad; Al-Sehemi, Abdullah G; Ben Hassen, Rached","Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives.","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 12","1617","1627","10.1107/S2053229619012993","powder diffraction","x-ray","1.5418","CuKα~1~","","0.0385","0.0384","","0.0442","0.0442","","","","2.59","","","","","","","has coordinates","246241","2020-10-21","18:00:00",""
"2312004","25.2195","0.0004","12.8116","0.0002","4.54932","0.00004","90","","90","","90","","1469.9","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[1-(4-Hydroxyanilino)ethylidene]-3<i>H</i>-chromene-2,4-dione monohydrate","","- C17 H15 N O5 -","- C17 H13 N O5 -","- C68 H52 N4 O20 -","4","1","CU3150","Brahmia, Ameni; Marzouki, Riadh; Rohlicek, Jan; Irfan, Ahmad; Al-Sehemi, Abdullah G; Ben Hassen, Rached","Structural, spectroscopic and first-principles studies of new aminocoumarin derivatives.","Acta crystallographica. Section C, Structural chemistry","2019","75","Pt 12","1617","1627","10.1107/S2053229619012993","powder diffraction","x-ray","1.5418","CuKα","","0.0438","0.0438","","0.06","0.06","","","","3.47","","","","","","","has coordinates","246241","2020-10-21","18:00:00",""
"2312017","12.9336","0.0004","14.5249","0.0004","19.9141","0.0005","90","","90","","90","","3741.05","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis{(<i>S</i>)-2-[(2-hydroxybenzyl)amino]-4-methylpentanoato-κ^2^<i>N</i>,<i>O</i>}(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)","","- C38 H44 N4 Ni O6 -","- C38 H44 N4 Ni O6 -","- C152 H176 N16 Ni4 O24 -","4","1","IM2482","Faizi, Md Serajul Haque; Dege, Necmi; Malinkin, Sergey","Crystal structure and DFT study of bis-{(<i>S</i>)-2-[(2-hy-droxy-benzyl)-amino]-4-methyl-penta-noato-κ<sup>2</sup><i>N</i>,<i>O</i>}(1,10-phenanthroline-κ<sup>2</sup><i>N</i>,<i>N</i>')nickel(II).","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 9","1393","1397","10.1107/S2056989017012014","","","0.71073","MoKα","","0.0702","0.0432","","","0.1177","0.133","","","","","","0.948","","","","has coordinates,has Fobs","246247","2020-10-21","18:00:00",""
"2312020","6.2899","0.0013","15.167","0.003","17.938","0.004","90","","90","","90","","1711.3","0.6","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(Dibenzofuran-4-yl)-2'-deoxyuridine","","- C21 H18 N2 O6 -","- C21 H18 N2 O6 -","- C84 H72 N8 O24 -","4","1","DS2247","Gayakhe, Vijay; Kapdi, Anant Ramakant; Borozdina, Yulia; Schulzke, Carola","Crystal structure of 5-(dibenzo-furan-4-yl)-2'-deoxy-uridine.","Acta crystallographica. Section E, Crystallographic communications","2017","73","Pt 10","1493","1496","10.1107/S2056989017013111","","","0.71073","MoKα","","0.0848","0.057","","","0.1291","0.1434","","","","","","0.962","","","","has coordinates,has Fobs","246249","2020-10-21","18:00:00",""
"2312042","7.2781","0.0003","13.4581","0.0004","22.4129","0.0006","90","","90","","90","","2195.33","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Ba O16 -","- C18 H18 Ba O16 -","- C72 H72 Ba4 O64 -","4","1","","Safari, Manije; Sedghiniya, Sima; Soleimannejad, Janet; Janczak, Jan","Efficient modulation of a barium metal-organic framework using amino acids.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2023","79","2","114","121","10.1107/S2052520623001105","","","0.71073","MoKα","","0.0733","0.0613","","","0.1256","0.1322","","","","","","1.08","","","","has coordinates,has disorder,has Fobs","282414","2023-04-05","15:27:42",""
"2312061","7.7329","0.0003","8.2536","0.0003","19.2301","0.0007","90","","90","","90","","1227.35","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(2-Methoxyphenoxy)phthalonitrile","4-(2-Methoxyphenoxy)benzene-1,2-dicarbonitrile","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","YZ2027","Erzunov, Dmitry; Rassolova, Anastasia; Rumyantsev, Roman; Maizlish, Vladimir; Tikhomirova, Tatiana; Vashurin, Arthur","Crystal structures of 4-(2/3-meth-oxy-phen-oxy)phthalo-nitrile.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","172","176","10.1107/S2056989023000518","","","0.71073","MoKα","","0.059","0.0449","","","0.0889","0.0949","","","","","","1.085","","","","has coordinates,has Fobs","282421","2023-04-05","16:03:22",""
"2312083","8.8921","0.0013","12.2495","0.0012","23.798","0.003","90","","90","","90","","2592.2","0.6","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Raffinose pentahydrate","","","- C18 H42 O21 -","- C18 H42 O21 -","- C72 H168 O84 -","4","1","WV3010","Kawasaki, Takuro; Takahashi, Miwako; Kiyanagi, Ryoji; Ohhara, Takashi","Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","743","748","10.1107/S2053229622010828","","neutron","1","neutron","","0.0703","0.0703","","","0.0614","0.0614","","","","2.06","2.06","2.06","","","","has coordinates,has Fobs","282757","2023-04-20","04:01:00",""
"2312084","8.987","0.002","12.3973","0.0015","23.528","0.004","90","","90","","90","","2621.4","0.8","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Raffinose tetrahydrate","","","- C18 H40 O20 -","- C18 H40 O20 -","- C72 H160 O80 -","4","1","WV3010","Kawasaki, Takuro; Takahashi, Miwako; Kiyanagi, Ryoji; Ohhara, Takashi","Rearrangement of hydrogen bonds in dehydrated raffinose tetrahydrate: a time-of-flight neutron diffraction study.","Acta crystallographica. Section C, Structural chemistry","2022","78","Pt 12","743","748","10.1107/S2053229622010828","","neutron","1","neutron","","0.0749","0.0749","","","0.0679","0.0679","","","","2.61","2.61","2.61","","","","has coordinates,has Fobs","282757","2023-04-20","04:01:06",""
"2312134","4.82","0.001","19.11","0.004","19.28","0.004","90","","90","","90","","1775.9","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-[(Benzyloxycarbonyl)alanyl]isoleucine","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C68 H96 N8 O20 -","4","1","OP3019","Gessmann, Renate; Garcia-Saez, Isabel; Simatos, Georgios; Mitraki, Anna","Z-Ala-Ile-OH, a dipeptide building block suitable for the formation of orthorhombic microtubes.","Acta crystallographica. Section C, Structural chemistry","2023","79","7","277","282","10.1107/S2053229623004849","","","0.97625","synchrotron","","0.0661","0.0598","","","0.1664","0.174","","","","","","1.1","","","","has coordinates,has Fobs","284683","2023-06-29","15:25:20",""
"2312161","13.2385","0.0002","14.5713","0.0003","20.3505","0.0004","90","","90","","90","","3925.66","0.13","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (<i>R</i>)-3-{(1<i>R</i>,4<i>S</i>)-6-methoxy-4,7-dimethyl-5,8-bis[(triisopropylsilyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl}butanoate","","- C36 H66 O5 Si2 -","- C36 H66 O5 Si2 -","- C144 H264 O20 Si8 -","4","1","VM2277","Kaiser, Maximilian; Weil, Matthias; Gärtner, Peter; Enev, Valentin","Crystal structures of two 1,2,3,4-tetra-hydro-naphthalenes obtained during efforts towards the total synthesis of elisabethin A.","Acta crystallographica. Section E, Crystallographic communications","2023","79","Pt 3","177","181","10.1107/S2056989023001226","","","0.71073","MoKα","","0.0573","0.042","","","0.1032","0.1119","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","285620","2023-08-11","01:55:03",""
"2312291","5.7733","0.0011","5.9524","0.0012","12.2465","0.0002","90","","90","","90","","420.85","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DL-alanine","DL-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1482","0.1428","","","0.3477","0.348","","","","9.1441","9.1441","8.7578","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312292","5.7733","0.0011","5.9524","0.0012","12.2465","0.0002","90","","90","","90","","420.85","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DL-alanine","DL-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1571","0.1392","","","0.3359","0.3376","","","","5.9096","5.9096","5.3504","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312293","5.7733","0.0011","5.9524","0.0012","12.2465","0.0002","90","","90","","90","","420.85","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DL-alanine","DL-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1531","0.1395","","","0.3365","0.3447","","","","2.2725","2.2725","2.0282","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312294","5.7733","0.0011","5.9524","0.0012","12.2465","0.0002","90","","90","","90","","420.85","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DL-alanine","DL-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1473","0.1444","","","0.3517","0.3551","","","","2.6013","2.6013","2.565","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312295","5.7733","0.0011","5.9524","0.0012","12.2465","0.0002","90","","90","","90","","420.85","0.12","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DL-alanine","DL-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","PL5027","Khouchen, Malak; Klar, Paul Benjamin; Chintakindi, Hrushikesh; Suresh, Ashwin; Palatinus, Lukas","Optimal estimated standard uncertainties of reflection intensities for kinematical refinement from 3D electron diffraction data","Acta Crystallographica Section A Foundations and Advances","2023","79","5","427","439","10.1107/S2053273323005053","","electron","0.0251","electrons200keV","","0.1416","0.1306","","","0.299","0.3049","","","","2.5481","2.5481","2.3621","","","","has coordinates","286386","2023-09-18","11:42:50",""
"2312350","9.28862","0.00009","10.34013","0.00009","24.3525","0.0002","90","","90","","90","","2338.95","0.04","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Triphenylacetyl-<i>L</i>-tyrosine dichloromethane 0.1-solvate","","- C29.1 H25.2 Cl0.2 N O4 -","- C29.1 H25.2 Cl0.2 N O4 -","- C116.4 H100.8 Cl0.8 N4 O16 -","4","1","EF3022","Czapik, Agnieszka; Kwit, Marcin","Diversity of N-triphenylacetyl-L-tyrosine solvates with halogenated solvents.","Acta crystallographica. Section C, Structural chemistry","2021","77","Pt 12","745","756","10.1107/S2053229621011098","","","1.54184","CuKα","","0.0314","0.031","","","0.0852","0.0855","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","287487","2023-11-08","03:11:19",""
"2312397","33.5486","0.0009","26.4223","0.0006","5.36515","0.0001","90","","90","","90","","4755.84","0.19","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Carbamazepine–<i>S</i>-naproxen (1/1)","2-Azatricyclo[9.4.0.0^3,8^]pentadeca-1(11),3,5,7,9,12,14-heptaene-2-carboxamide; (2<i>S</i>)-2-(6-methoxynaphthalen-2-yl)propanoic acid","","- C58 H52 N4 O8 -","- C58 H52 N4 O8 -","- C232 H208 N16 O32 -","4","1","OJ3014","Guerain, Mathieu; Correia, Natalia T.; Roca-Paixão, Luisa; Chevreau, Hubert; Affouard, Frederic","Using synchrotron high-resolution powder X-ray diffraction for the structure determination of a new cocrystal formed by two active principle ingredients.","Acta crystallographica. Section C, Structural chemistry","2024","80","Pt 2","37","42","10.1107/S2053229624000639","powder diffraction","x-ray","0.67132","synchrotron","","0.0605","0.0597","","0.0777","0.0775","","","","3.4864","","","","","","","has coordinates","290310","2024-03-05","20:13:46",""
"2312402","5.6599","0.0011","7.9243","0.001","34.353","0.005","90","","90","","90","","1540.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-(+)-1-(4-Bromophenyl)-<i>N</i>-[(4-methoxyphenyl)methylidene]ethylamine","","- C16 H16 Br N O -","- C16 H16 Br N O -","- C64 H64 Br4 N4 O4 -","4","1","EE2003","Anzaldo, Bertin; Moreno Morales, Gloria E.; Villamizar C, Claudia P; Mendoza, Ángel; Hernández Téllez, Guadalupe","(<i>S</i>)-(+)-1-(4-Bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine and bis-{(<i>S</i>)-(+)-1-(4-bromo-phen-yl)-<i>N</i>-[(4-methoxyphen-yl)methyl-idene]ethyl-amine-κ<i>N</i>}di-chlorido-palladium(II).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","213","217","10.1107/S2056989024000690","","","0.71073","MoKα","","0.1136","0.0508","","","0.0945","0.116","","","","","","1.046","","","","has coordinates","290314","2024-03-05","20:26:41",""
"2312405","5.8901","0.0004","9.3455","0.0006","18.7423","0.0013","90","","90","","90","","1031.69","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pentacadmium bis(orthophosphate) tetrakis(hydroxide)","","- Cd5 H4 O12 P2 -","- Cd5 O12 P2 -","- Cd20 O48 P8 -","4","1","TX2081","Eder, Felix; Weil, Matthias","Cadmium phosphates Cd<sub>2</sub>(PO<sub>4</sub>)OH and Cd<sub>5</sub>(PO<sub>4</sub>)<sub>2</sub>(OH)<sub>4</sub> crystallizing in mineral structures.","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","207","212","10.1107/S2056989024000793","","","0.71073","MoKα","","0.0575","0.0385","","","0.0546","0.0588","","","","","","0.966","","","","has coordinates","290315","2024-03-05","20:27:10",""
"2312470","4.9524","0.0002","11.0302","0.0004","20.9007","0.0007","90","","90","","90","","1141.72","0.07","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Berkecoumarin","(<i>S</i>)-8-Hydroxy-3-(2-hydroxypropyl)-6-methoxy-2<i>H</i>-chromen-2-one","","- C13 H14 O5 -","- C13 H14 O5 -","- C52 H56 O20 -","4","1","YP3233","Decato, Daniel; Palatinus, Lukáš; Stierle, Andrea; Stierle, Donald","Absolute structure determination of Berkecoumarin by X-ray and electron diffraction.","Acta crystallographica. Section C, Structural chemistry","2024","80","5","","","10.1107/S2053229624003061","","x-ray","1.54178","CuKα","","0.0322","0.0272","","","0.0639","0.0671","","","","","","1.065","","","","has coordinates","291175","2024-04-11","02:02:58",""
"3000056","23.432","0.003","9.4425","0.0011","6.8835","0.0009","90","","90","","90","","1523","0.3","295.1","0.3","295.1","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Ewa Patyk-Kazmierczak; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.1138","0.0857","","","0.1954","0.2182","","","","","","0.97","","","","","184076","2020-10-21","18:00:00","2017-05-30"
"3000057","23.4","0.004","9.4345","0.0013","6.8808","0.0011","90","","90","","90","","1519.1","0.4","250","0.1","250","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Ewa Patyk-Kazmierczak; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.1163","0.0905","","","0.2106","0.2367","","","","","","0.995","","","","","184076","2020-10-21","18:00:00","2017-05-30"
"3000058","23.352","0.004","9.4208","0.0015","6.8757","0.0013","90","","90","","90","","1512.6","0.5","199.95","0.1","199.95","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Ewa Patyk-Kazmierczak; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.1106","0.0892","","","0.2032","0.2282","","","","","","1.036","","","","","184076","2020-10-21","18:00:00","2017-05-30"
"3000059","23.326","0.005","9.3974","0.0017","6.8696","0.0014","90","","90","","90","","1505.8","0.5","150.1","0.3","150.1","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Ewa Patyk-Kazmierczak; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.1114","0.087","","","0.1893","0.2098","","","","","","0.975","","","","","184076","2020-10-21","18:00:00","2017-05-30"
"3000060","23.14","0.02","9.3447","0.0009","6.8365","0.0009","90","","90","","90","","1478.3","1.3","295","2","295","2","","","500000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.0814","0.057","","","0.1253","0.1402","","","","","","1.141","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000061","22.93","0.11","9.244","0.005","6.808","0.006","90","","90","","90","","1443","7","295","2","295","2","","","1000000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.56087","AgKα","","0.1379","0.0962","","","0.27","0.2969","","","","","","0.985","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000062","22.66","0.02","9.199","0.0009","6.7829","0.0008","90","","90","","90","","1413.9","1.3","295","2","295","2","","","1610000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.1005","0.072","","","0.1711","0.1864","","","","","","1.122","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000063","22.38","0.03","9.1047","0.0009","6.7256","0.0008","90","","90","","90","","1370.4","1.8","295","2","295","2","","","2160000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.0808","0.0616","","","0.1283","0.1386","","","","","","1.128","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000064","22.17","0.03","9.0674","0.0014","6.7123","0.0011","90","","90","","90","","1349.3","1.9","295","2","295","2","","","2490000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.0829","0.0615","","","0.121","0.1288","","","","","","1.053","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000065","22.09","0.02","9.0351","0.0011","6.6903","0.0008","90","","90","","90","","1335.3","1.2","295","2","295","2","","","3000000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.0822","0.0607","","","0.1262","0.1342","","","","","","1.077","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000066","21.93","0.03","9.0066","0.0014","6.6839","0.0011","90","","90","","90","","1320.2","1.8","295","2","295","2","","","3420000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.0772","0.0584","","","0.1188","0.1255","","","","","","1.056","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000067","21.9","0.03","8.9676","0.0011","6.6585","0.0009","90","","90","","90","","1307.7","1.8","295","2","295","2","","","4000000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.0869","0.064","","","0.1397","0.1501","","","","","","1.028","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000068","21.71","0.05","8.9486","0.0017","6.639","0.002","90","","90","","90","","1290","3","295","2","295","2","","","4390000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.0977","0.0699","","","0.1117","0.1225","","","","","","1","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000069","21.66","0.08","8.915","0.002","6.625","0.004","90","","90","","90","","1279","5","295","2","295","2","","","4710000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.1047","0.0754","","","0.1259","0.1364","","","","","","1.006","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000070","21.64","0.13","8.907","0.003","6.621","0.006","90","","90","","90","","1276","8","295","2","295","2","","","4840000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.1122","0.0894","","","0.178","0.1876","","","","","","1.007","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000071","21.631","0.007","8.8833","0.0013","6.6067","0.0005","90","","90","","90","","1269.5","0.5","295","2","295","2","","","5380000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.0824","0.0567","","","0.1128","0.1259","","","","","","1.068","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000072","21.61","0.02","8.864","0.002","6.5911","0.0013","90","","90","","90","","1262.5","1.2","295","2","295","2","","","5550000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.71073","MoKα","","0.0788","0.0569","","","0.1093","0.1168","","","","","","1.037","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000073","21.183","0.013","8.7794","0.0007","6.553","0.0005","90","","90","","90","","1218.7","0.8","295","2","295","2","","","8290000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.4859","synchrotron","","0.056","0.0556","","","0.1376","0.1383","","","","","","1.187","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000074","21.092","0.016","8.7772","0.0009","6.5461","0.0006","90","","90","","90","","1211.9","0.9","295","2","295","2","","","8600000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.4859","synchrotron","","0.0715","0.0603","","","0.1521","0.163","","","","","","1.102","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000075","21.023","0.014","8.7747","0.0007","6.5491","0.0005","90","","90","","90","","1208.1","0.8","295","2","295","2","","","8770000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.4859","synchrotron","","0.0681","0.0578","","","0.1477","0.1562","","","","","","1.092","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000076","21.025","0.019","8.7621","0.001","6.5392","0.0006","90","","90","","90","","1204.7","1.1","295","2","295","2","","","9000000","","","","","3","P 21 21 21","P 2ac 2ab","","α-D-mannose","α-D-mannopyranose","","- C6 H12 O6 -","","","","","","Patyk-Kazmierczak, E.; Warren, M.; Allan, D.; Andrzej Katrusiak","","To be published","","","","","","","","","0.4859","synchrotron","","0.0646","0.0533","","","0.1318","0.1402","","","","","","1.056","","","","","184077","2020-10-21","18:00:00","2017-05-30"
"3000217","5.34","","19.53","","29.98","","90","","90","","90","","3126.62","","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Sofosbuvir, L-proline","","","- C27 H38 F N4 O11 P -","- C27 H33 F N4 O11 P -","- C108 H132 F4 N16 O44 P4 -","4","1","","Brázda, Petr; Palatinus, Lukáš; Babor, Martin","Electron diffraction determines molecular absolute configuration in a pharmaceutical nanocrystal","Science","2019","364","6441","667","669","10.1126/science.aaw2560","","electron","0.0335","electron","","0.1623","0.0986","","","0.0912","0.0962","","","","3.01","3.01","2.4","","","","has coordinates","215255","2020-10-21","18:00:00",""
"3000339","7.7901","0.0004","11.2368","0.0004","13.2048","0.0005","90","","90","","90","","1155.89","0.08","120","2","120.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","ammonium diaqua-<i>N</i>-carboxyethylasparthato zincate monohydrate","","- C6 H16 N2 O9 Zn -","","","","","","Rakovský, Erik; Pateda, Yogeswara Rao; Chrappová, Jana","","To be published in Crystallography Reports","","","","","","","","x-ray","0.71073","MoKα","","0.0118","0.0116","","","0.0308","0.0308","","","","","","1.065","","","","","272962","2022-02-15","12:32:58","2023-01-15"
"3000340","7.7901","0.0004","11.2368","0.0004","13.2048","0.0005","90","","90","","90","","1155.89","0.08","120","2","120.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","ammonium diaqua-<i>N</i>-carboxyethylasparthato zincate monohydrate","","- C6 H16 N2 O9 Zn -","","","","","","Rakovský, Erik; Pateda, Yogeswara Rao; Chrappová, Jana","","To be published in Crystallography Reports","","","","","","","","x-ray","0.71073","MoKα","","0.0144","0.0142","","","0.0387","0.0388","","","","","","1.0696","","","","","272963","2022-02-15","12:35:47","2023-01-15"
"3000341","7.7901","0.0004","11.2368","0.0004","13.2048","0.0005","90","","90","","90","","1155.89","0.08","120","2","120.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","ammonium diaqua-<i>N</i>-carboxyethylasparthato zincate monohydrate","","- C6 H16 N2 O9 Zn -","","","","","","Rakovský, Erik; Pateda, Yogeswara Rao; Chrappová, Jana","","To be published in Crystallography Reports","","","","","","","","x-ray","0.71073","MoKα","","0.012","0.0118","","","0.0314","0.0314","","","","","","1.0691","","","","","272964","2022-02-15","12:42:52","2023-01-15"
"3000342","7.7901","0.0004","11.2368","0.0004","13.2048","0.0005","90","","90","","90","","1155.89","0.08","120","2","120.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","","","ammonium diaqua-<i>N</i>-carboxyethylasparthato zincate monohydrate","","- C6 H16 N2 O9 Zn -","","","","","","Rakovský, Erik; Pateda, Yogeswara Rao; Chrappová, Jana","","To be published in Crystallography Reports","","","","","","","","x-ray","0.71073","MoKα","","0.0121","0.0119","","","0.0314","0.0315","","","","","","1.0636","","","","","272965","2022-02-15","12:55:45","2023-01-15"
"3000406","5.0099","0.0001","8.4438","0.0002","34.964","0.0007","90","","90","","90","","1479.07","0.05","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- C15 H17 N3 O3 -","","","","","","Chien-Wei Chiang","","To be published","","","","","","","","","1.54178","CuKα","","0.0566","0.0558","","","0.1411","0.1419","","","","","","1.158","","","","","277150","2022-08-08","14:23:06","2023-01-08"
"3000415","6.4","0.0001","9.9684","0.0002","25.9394","0.0006","90","","90","","90","","1654.88","0.06","296.15","","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Phansuang Udomputtimekakul","","Personal communication to COD","2022","","","","","","","x-ray","0.71073","MoKα","K-L~3~","0.0571","0.0393","","","0.0822","0.0896","","","","","","1.04","","","","has coordinates","279663","2022-12-01","01:43:27",""
"3000468","7.19271","0.00011","9.91793","0.00016","14.55046","0.0002","90","","90","","90","","1037.98","0.03","353","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","","","","","- B12 H11 N Na -","","","","","","Mark Paskevicius","","To be published","","","","","","","","","","synchrotron","","","","","","","","","21.4923","","","","","","","","","288242","2023-12-12","08:31:59","2024-05-12"
"3500026","7.6385","0.0004","7.773","0.0004","11.041","0.0006","90","","90","","90","","655.55","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O6 -","- C4 H9 N O6 -","- C16 H36 N4 O24 -","4","1","","Tobias Stürzer; Saulius Gražulis","private communication","Personal communication to COD","2015","","","","","","","","1.3418","GaKα","","0.0217","0.0212","","","0.0571","0.0575","","","","","","1.061","","","","has coordinates","152583","2020-10-21","18:00:00",""
"3500027","6.8358","0.0003","10.0116","0.0006","11.6421","0.0006","90","","90","","90","","796.75","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","mer-Tri(ammine)tri(nitrito-N)cobalt(III)","","- Co H9 N6 O6 -","- Co H9 N6 O6 -","- Co4 H36 N24 O24 -","4","1","","Miguel Quirós","Redetermination of mer-[Co(NH3)3(NO2)3]","Personal communication to COD","2016","","","","","","","","0.71073","MoKα","","0.0311","0.0264","","","0.0531","0.0544","","","","","","1.106","","","","has coordinates,has Fobs","176658","2020-10-21","18:00:00",""
"3500030","7.9943","0.0005","12.4491","0.0009","12.9791","0.0009","90","","90","","90","","1291.7","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Benzyltriethylammonium chloride","Benzenemethanaminium, N,N,N-triethyl-, chloride (1:1)","","- C13 H22 Cl N -","- C13 H22 Cl N -","- C52 H88 Cl4 N4 -","4","1","","Thierry Maris","Benzyltriethylammonium chloride","Personal communication to COD","2016","","","","","","","x-ray","1.34139","GaKα","","0.0341","0.0336","","","0.0868","0.0872","","","","","","1.102","","","","has coordinates,has Fobs","177181","2020-10-21","18:00:00",""
"3500031","4.3237","0.0002","10.1666","0.0004","16.3253","0.0006","90","","90","","90","","717.62","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,6-Dibromoaniline","benzenamine, 2,6-dibromo-","","- C6 H5 Br2 N -","- C6 H5 Br2 N -","- C24 H20 Br8 N4 -","4","1","","Thierry Maris","2,6-Dibromoaniline","Personal communication to COD","2016","","","","","","","x-ray","1.34139","GaKα","","0.0228","0.0227","","","0.0587","0.059","","","","","","1.15","","","","has coordinates,has Fobs","177182","2020-10-21","18:00:00",""
"3500039","6.86394","","7.76619","","12.06935","","90","","90","","90","","643.377","","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H5 Ca O6 -","- C4 Ca O6 -","- C16 Ca4 O24 -","4","1","","Armel Le Bail","Calcium tartrate anhydrous form I","Personal communication to COD","2016","","","","","","powder diffraction","","1.54178","X-ray","","","","","","","","","10.2796","","","","","","","","has coordinates,has Fobs","183933","2020-10-21","18:00:00",""
"3500088","8.6614","0.0002","9.6467","0.0002","23.5332","0.0005","90","","90","","90","","1966.29","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl bis(2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borinate","","- C21 H37 B O -","- C21 H37 B O -","- C84 H148 B4 O4 -","4","1","","Thierry Maris","methyl bis(2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl)borinate","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0389","0.0381","","","0.0986","0.0995","","","","","","1.075","","","","has coordinates,has Fobs","246658","2020-10-21","18:00:00",""
"3500100","5.6352","0.0002","7.1096","0.0003","24.7718","0.0009","90","","90","","90","","992.46","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-1-(2-deoxy-b-D-erythro-pentofuranosyl)-1,3,5-triazin-2(1H)-one","","- C8 H12 N4 O4 -","- C8 H12 N4 O4 -","- C32 H48 N16 O16 -","4","1","","Thierry Maris","","Personal communication to COD","2020","","","","","","","x-ray","1.34139","GaKα","","0.0312","0.0296","","","0.0734","0.0751","","","","","","1.099","","","","has coordinates,has Fobs","251898","2020-10-21","18:00:00",""
"3500133","5.6107","0.0002","9.2303","0.0004","39.4699","0.0015","90","","90","","90","","2044.08","0.14","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Empagliflozin","2-[4-chloro-3-({4-[(oxolan-3-yl)oxy]phenyl}methyl) phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol","","- C23 H27 Cl O7 -","- C23 H27 Cl O7 -","- C92 H108 Cl4 O28 -","4","1","","Thierry Maris","Empagliflozin","Personal communication to COD","2023","","","","","","","x-ray","1.34139","GaKα","","0.0356","0.0285","","","0.0622","0.0648","","","","","","1.059","","","","has coordinates,has Fobs","280103","2023-01-04","13:45:50",""
"4000030","10.131","0.003","10.131","0.003","25.682","0.006","90","","90","","90","","2635.9","0.9","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 I O4 P -","- C28 H28 I O4 P -","- C112 H112 I4 O16 P4 -","4","1","","Bourgogne, Cyril; Fur, Yvette Le; Juen, Patrick; Masson, Patrick; Nicoud, Jean-François; Masse, René","Tetra(4-methoxyphenyl)phosphonium Iodide: A Twinned Crystal Built Up with Three-Dimensional Octupolar Nonlinear Optical Chromophores","Chemistry of Materials","2000","12","4","1025","1033","10.1021/cm991155c","","","0.5608","AgKα","","0.0482","0.048","","0.032","","0.032","","","1.163","","","1.16","","","","has coordinates","277839","2022-09-14","18:07:02",""
"4000032","10.18","0.0006","15.8992","0.0009","23.2271","0.0012","90","","90","","90","","3759.4","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H56 N10 O29 P6 Ti3 -","- C10 H35 N10 O29 P6 Ti3 -","- C40 H140 N40 O116 P24 Ti12 -","4","1","","Guo, Yanghong; Shi, Zhan; Yu, Jihong; Wang, Jidong; Liu, Yunling; Bai, Ni; Pang, Wenqin","Solvothermal Synthesis and Characterization of a New Titanium Phosphate with a One-Dimensional Chiral Chain","Chemistry of Materials","2001","13","1","203","207","10.1021/cm000642l","","","0.71073","MoKα","","0.0603","0.0461","","","0.1132","0.1199","","","","","","1.062","","","","has coordinates","178255","2020-10-21","18:00:00",""
"4000103","11.516","0.002","16.417","0.002","18.622","0.003","90","","90","","90","","3520.6","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bis(dibenzoylmethanato)bis(2-methylpyridine)ca","Bis(1,3-diphenyl-1,3-propanediono)bis(2-methylpyridine)cadmium(II), trans form","","- C42 H36 Cd N2 O4 -","- C42 H36 Cd N2 O4 -","- C168 H144 Cd4 N8 O16 -","4","1","","","","Chemistry of Materials","2001","","","","","","","","0.71073","MoKα","","0.0191","0.0172","","","0.0432","0.0438","","","","","","1.021","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000113","16.3139","0.0012","18.2111","0.0013","36.247","0.003","90","","90","","90","","10768.8","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl2 Cu N4 O1.5 -","- C26 H28 Cl2 Cu N4 O1.5 -","- C416 H448 Cl32 Cu16 N64 O24 -","16","4","","","","Chemistry of Materials","2002","","","","","10.1021/cm011235s","","","0.71073","MoKα","","0.1032","0.0824","","0.2533","0.2266","","","","1.044","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4000212","4.121","0.004","8.376","0.004","26.321","0.01","90","","90","","90","","908.5","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 Cu I N O -","- C7 H7 Cu I N O -","- C28 H28 Cu4 I4 N4 O4 -","4","1","","","","Chemistry of Materials","2002","","","","","10.1021/cm020640w","","","0.71073","MoKα","","0.0395","0.0362","","","0.0902","0.0926","","","","","","1.064","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000228","6.4111","0.0006","9.5223","0.0008","13.1307","0.0012","90","","90","","90","","801.61","0.12","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H10 F3 Fe N2 O4 S -","- C2 H10 F3 Fe N2 O4 S -","- C8 H40 F12 Fe4 N8 O16 S4 -","4","1","","","","Chemistry of Materials","2003","","","","","","","","0.71073","MoKα","","0.0349","0.0315","","0.0825","0.0806","","","","1.054","1.078","1.078","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000233","12.801","0.002","9.3375","0.0014","6.5081","0.001","90","","90","","90","","777.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H11 Cr F3 N2 O3 P -","- C2 H11 Cr F3 N2 O3 P -","- C8 H44 Cr4 F12 N8 O12 P4 -","4","1","","Fernández, Sergio; Mesa, José L.; Pizarro, José L.; Lezama, Luis; Arriortua, María I.; Rojo, Teófilo","Hydrothermal Synthesis, Crystal Structures, Spectroscopic, and Magnetic Properties of Two New Organically Templated Monodimensional Phosphite Compounds: (C2H10N2)[M(HPO3)F3], M = V(III) and Cr(III)}","Chemistry of Materials","2003","15","5","1204","1209","10.1021/cm021361b","","","0.71073","mokα","","0.0885","0.0566","","","0.117","0.1274","","","","","","0.879","","","","has coordinates","270059","2021-10-23","02:40:01",""
"4000234","12.809","0.002","9.518","0.0014","6.4403","0.0013","90","","90","","90","","785.2","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H11 F3 N2 O3 P V -","- C2 H11 F3 N2 O3 P V -","- C8 H44 F12 N8 O12 P4 V4 -","4","1","","Fernández, Sergio; Mesa, José L.; Pizarro, José L.; Lezama, Luis; Arriortua, María I.; Rojo, Teófilo","Hydrothermal Synthesis, Crystal Structures, Spectroscopic, and Magnetic Properties of Two New Organically Templated Monodimensional Phosphite Compounds: (C2H10N2)[M(HPO3)F3], M = V(III) and Cr(III)}","Chemistry of Materials","2003","15","5","1204","1209","10.1021/cm021361b","","x-ray","0.71073","MoKα","","0.1695","0.0603","","","0.1064","0.1262","","","","","","0.856","","","","has coordinates","277839","2022-09-14","18:07:03",""
"4000418","7.1549","0.0007","11.9854","0.0012","20.579","0.002","90","","90","","90","","1764.7","0.3","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Guanidinium heptylbenzenesulfonate","","","- C14 H25 N3 O3 S -","- C14 H25 N3 O3 S -","- C56 H100 N12 O12 S4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.1264","0.0651","","","0.1195","0.1364","","","","","","0.987","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000423","7.6188","0.0013","7.7097","0.0013","36.33","0.006","90","","90","","90","","2134","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","guanidinium octylbiphenylsulfonate","","","- C21 H31 N3 O3 S -","- C21 H31 N3 O3 S -","- C84 H124 N12 O12 S4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm049594l","","","0.71073","MoKα","","0.0375","0.0327","","","0.0813","0.084","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000439","12.862","0.002","13.097","0.003","14.012","0.003","90","","90","","90","","2360.4","0.7","168","2","168","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(10b) Zn(DMP)2(MeIm)(py)","","","- C25 H29 N3 O2 Zn -","- C25 H29 N3 O2 Zn -","- C100 H116 N12 O8 Zn4 -","4","1","","","","Chemistry of Materials","2004","","","","","10.1021/cm0493997","","","0.71073","MoKα","","0.0569","0.0464","","","0.1071","0.1118","","","","","","1.04","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000956","9.0264","0.0008","9.906","0.0004","16.8195","0.001","90","","90","","90","","1503.92","0.17","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O -","- C18 H17 N3 O -","- C72 H68 N12 O4 -","4","1","","Schwartz, Erik; Lim, Eunhee; Gowda, Chandrakala M.; Liscio, Andrea; Fenwick, Oliver; Tu, Guoli; Palermo, Vincenzo; de Gelder, Rene; Cornelissen, Jeroen J. L. M.; Van Eck, Ernst R. H.; Kentgens, Arno P. M.; Cacialli, Franco; Nolte, Roeland J. M.; Samorì, Paolo; Huck, Wilhelm T. S.; Rowan, Alan E.","Synthesis, Characterization, and Surface Initiated Polymerization of Carbazole Functionalized Isocyanides","Chemistry of Materials","2010","22","8","2597","","10.1021/cm903664g","","","0.71073","MoKα","","0.0885","0.0586","","0.0885","0.0828","0.0885","","","1.165","","","1.165","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001285","5.8904","0.0003","7.6297","0.0004","8.154","0.0004","90","","90","","90","","366.46","0.03","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H2 Na Np O4 -","- H2 Na Np O4 -","- H8 Na4 Np4 O16 -","4","1","","Almond, Philip M.; Skanthakumar, S.; Soderholm, L.; Burns, Peter C.","Cation−Cation Interactions and Antiferromagnetism in Na[Np(V)O2(OH)2]: Synthesis, Structure, and Magnetic Properties","Chemistry of Materials","2007","19","2","280","","10.1021/cm0621040","","","0.71073","MoKα","","0.0161","0.0152","","","0.0349","0.0351","","","","","","1.041","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001400","8.5501","0.0002","7.3054","0.0002","5.0045","0.0001","90","","90","","90","","312.591","0.013","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cerium gadolinium carbonato hydroxide","","- C H Ce0.9 Gd0.1 O4 -","- C Ce0.9 Gd0.1 O4 -","- C4 Ce3.6 Gd0.4 O16 -","4","1","","Go, Yong Bok; Jacobson, Allan J.","Solid Solution Precursors to Gadolinia-Doped Ceria Prepared via a Low-Temperature Solution Route","Chemistry of Materials","2007","19","19","4702","","10.1021/cm071310k","powder diffraction","x-ray","1.54178","CuKα","","","","","","","","0.03063","","1.73","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001451","17.1841","0.0009","12.4648","0.0007","6.7661","0.0004","90","","90","","90","","1449.27","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C68 H52 N20 O8 -","4","1","","Kim, Tae Ho; Seo, Joobeom; Lee, Soo Jin; Lee, Shim Sung; Kim, Jineun; Jung, Jong Hwa","Strongly Fluorescent Hydrogel as a Blue-Emitting Nanomaterial: An Approach toward Understanding Fluorescence−Structure Relationship","Chemistry of Materials","2007","19","24","5815","","10.1021/cm701880e","","","0.71073","MoKα","","0.0817","0.0718","","","0.1438","0.1478","","","","","","1.215","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001501","7.6212","0.0015","13.336","0.003","18.566","0.004","90","","90","","90","","1887","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Guanidinium tricyanomelaminate hydrate","Triguanidinium tricyanomelaminate dihydrate","","- C9 H22 N18 O2 -","- C9 H22 N18 O2 -","- C36 H88 N72 O8 -","4","1","","Lotsch, Bettina V.; Schnick, Wolfgang","From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials","Chemistry of Materials","2006","18","7","1891","","10.1021/cm052342f","","","0.71073","MoKα","","0.0277","0.0253","","","0.0652","0.0666","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001543","6.2089","0.0007","8.9509","0.0011","23.295","0.003","90","","90","","90","","1294.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0496","0.048","","","0.1393","0.1412","","","","","","1.095","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001589","7.028","0.0014","11.757","0.002","13.503","0.003","90","","90","","90","","1115.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H6 Na3 O12 Si3 Tb -","- H6 Na3 O12 Si3 Tb -","- H24 Na12 O48 Si12 Tb4 -","4","1","","Wang, Guangmei; Li, Jiyang; Yu, Jihong; Chen, Peng; Pan, Qinhe; Song, Hongwei; Xu, Ruren","Na3TbSi3O9·3H2O: A New Luminescent Microporous Terbium(III) Silicate Containing HelicalSechserSilicate Chains and 9-Ring Channels","Chemistry of Materials","2006","18","24","5637","","10.1021/cm061578w","","","0.71073","MoKα","","0.0172","0.0168","","","0.0419","0.042","","","","","","1.189","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001635","10.42002","0.00013","10.45229","0.00017","11.62209","0.00017","90","","90","","90","","1265.8","0.03","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 N O9 P2 Zn -","- C5 H15 N O9 P2 Zn -","- C20 H60 N4 O36 P8 Zn4 -","4","1","","Simon-Masseron, Angélique; Paillaud, Jean-Louis; Patarin, Joël","Mu-21: A Three-Dimensional Microporous Zincophosphate Obtained by Direct Synthesis and Reversible Dehydration of the Zincophosphate Mu-19","Chemistry of Materials","2003","15","4","1000","1005","10.1021/cm021330g","powder diffraction","x-ray","1.5406","","","","","","","","","0.05691","","2.52","","","","","","","has coordinates","218970","2020-10-21","18:00:00",""
"4001783","12.84","0.003","12.93","0.003","13.274","0.003","90","","90","","90","","2203.8","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Li4 O13 Se4 Sn -","- Li4 O13 Se4 Sn -","- Li16 O52 Se16 Sn4 -","4","1","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0593","0.054","","","0.0882","0.0893","","","","","","1.331","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001805","7.6635","0.0002","12.7242","0.0005","17.7724","0.0006","90","","90","","90","","1733.02","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Mg Se8 -","- Cs2 Ge3 Mg Se8 -","- Cs8 Ge12 Mg4 Se32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0719","0.0467","","","0.0771","0.0837","","","","","","1.026","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001807","7.5756","0.0005","12.6191","0.001","17.6543","0.0011","90","","90","","90","","1687.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Se8 Zn -","- Cs2 Ge3 Se8 Zn -","- Cs8 Ge12 Se32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.119","0.088","","","0.2048","0.2238","","","","","","1.077","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001808","8.1345","0.0006","13.1145","0.0013","18.8263","0.0019","90","","90","","90","","2008.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Te8 Zn -","- Cs2 Ge3 Te8 Zn -","- Cs8 Ge12 Te32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.1023","0.0614","","","0.1505","0.1711","","","","","","0.9","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001809","7.4192","0.0002","12.5099","0.0004","17.0843","0.0006","90","","90","","90","","1585.65","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Ge3 S8 -","- Cd Cs2 Ge3 S8 -","- Cd4 Cs8 Ge12 S32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0415","0.0318","","","0.0529","0.0551","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001810","7.7048","0.0003","12.6822","0.0006","17.8208","0.0007","90","","90","","90","","1741.34","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Ge3 Se8 -","- Cd Cs2 Ge3 Se8 -","- Cd4 Cs8 Ge12 Se32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0622","0.0502","","","0.1045","0.1088","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001811","7.9055","0.0003","12.7661","0.0005","18.474","0.0006","90","","90","","90","","1864.44","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Mg Se8 Sn3 -","- Cs2 Mg Se8 Sn3 -","- Cs8 Mg4 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0643","0.0489","","","0.0991","0.104","","","","","","1.041","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001812","7.8146","0.0003","12.6534","0.0004","18.3747","0.0005","90","","90","","90","","1816.91","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Se8 Sn3 Zn -","- Cs2 Se8 Sn3 Zn -","- Cs8 Se32 Sn12 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0631","0.047","","","0.0901","0.0959","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001813","7.9335","0.0004","12.7336","0.0009","18.5387","0.001","90","","90","","90","","1872.82","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Se8 Sn3 -","- Cd Cs2 Se8 Sn3 -","- Cd4 Cs8 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0857","0.0621","","","0.1267","0.137","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001814","7.6672","0.0004","12.3405","0.001","17.9011","0.0012","90","","90","","90","","1693.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Hg S8 Sn3 -","- Cs2 Hg S8 Sn3 -","- Cs8 Hg4 S32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0928","0.0844","","","0.1996","0.2075","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001815","7.9196","0.0003","12.6657","0.0007","18.5375","0.0009","90","","90","","90","","1859.45","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Hg Se8 Sn3 -","- Cs2 Hg Se8 Sn3 -","- Cs8 Hg4 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0649","0.0498","","","0.1047","0.1122","","","","","","1.049","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002017","10.4084","0.0001","12.4262","0.0001","21.8325","0.0002","90","","90","","90","","2823.75","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((1-methyl)propyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C29 H34 N2 O3 Sn -","- C29 H34 N2 O3 Sn -","- C116 H136 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0299","0.0259","","","0.064","0.0669","","","","","","1.092","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002018","9.9176","0.0001","13.6235","0.0002","20.3957","0.0004","90","","90","","90","","2755.71","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-(1-methylsufanyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C28 H32 N2 O3 S Sn -","- C28 H32 N2 O3 S Sn -","- C112 H128 N8 O12 S4 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0464","0.0325","","","0.0655","0.0711","","","","","","1.181","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002019","10.3454","0.0001","12.6901","0.0002","21.4191","0.0004","90","","90","","90","","2811.99","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((2-methyl)propyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C29 H34 N2 O3 Sn -","- C29 H34 N2 O3 Sn -","- C116 H136 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0502","0.0315","","","0.062","0.0684","","","","","","1.018","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002020","10.6965","0.0002","12.8584","0.0002","20.0495","0.0003","90","","90","","90","","2757.61","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((1-methyl)ethyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C28 H32 N2 O3 Sn -","- C28 H32 N2 O3 Sn -","- C112 H128 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0538","0.0361","","","0.0739","0.082","","","","","","1.158","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002381","10.4782","","13.3831","","7.294","","90","","90","","90","","1022.84","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Rb2 Zr (Si3 O9) (H2 O)","","- H2 O10 Rb2 Si3 Zr -","- O10 Rb2 Si3 Zr -","- O40 Rb8 Si12 Zr4 -","4","1","","Fewox, C.S.; Kirumakki, S.R.; Clearfield, A.","Structural and mechanistic investigation of rubidium ion exchange in potassium zirconium trisilicate","Chemistry of Materials (1,1989-)","2007","19","","384","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002685","10.724","0.002","15.309","0.003","15.309","","90","","90","","90","","2513.3","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(py3tren)AlCoOPh","(py3tren)AlCoOPh","","- C27 H29 Al Co N7 O -","- C27 H29 Al Co N7 O -","- C108 H116 Al4 Co4 N28 O4 -","4","1","","Thompson, Anthony B.; Pahls, Dale R.; Bernales, Varinia; Gallington, Leighanne C.; Malonzo, Camille D.; Webber, Thomas; Tereniak, Stephen J.; Wang, Timothy C.; Desai, Sai Puneet; Li, Zhanyong; Kim, In Soo; Gagliardi, Laura; Penn, R. Lee; Chapman, Karena W.; Stein, Andreas; Farha, Omar K.; Hupp, Joseph T.; Martinson, Alex B. F.; Lu, Connie C.","Installing Heterobimetallic Cobalt‒Aluminum Single Sites on a Metal Organic Framework Support","Chemistry of Materials","2016","28","18","6753","","10.1021/acs.chemmater.6b03244","","","0.71073","MoKα","","0.0359","0.0333","","","0.0827","0.0843","","","","","","1.016","","","","has coordinates","186905","2020-10-21","18:00:00",""
"4002752","8.6082","0.0001","16.554","0.0003","17.9068","0.0003","90","","90","","90","","2551.72","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dipropylammonium trichloroacetate","","","- C8 H16 Cl3 N O2 -","- C8 H16 Cl3 N O2 -","- C64 H128 Cl24 N8 O16 -","8","2","","Ji, Chengmin; Wang, Sasa; Liu, Sijie; Sun, Zhihua; Zhang, Jing; Li, Lina; Luo, Junhua","Exceptional Three-Level Switching Behaviors of Quadratic Nonlinear Optical Properties in a Tristable Molecule-Based Dielectric","Chemistry of Materials","2017","29","7","3251","","10.1021/acs.chemmater.7b00524","","","1.54184","CuKα","","0.047","0.0449","","","0.1179","0.1206","","","","","","1.039","","","","has coordinates","195936","2020-10-21","18:00:00",""
"4002953","7.2941","0.0005","15.3229","0.001","15.3893","0.001","90","","90","","90","","1720","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Br4 N4 Zn -","- C10 H14 Br4 N4 Zn -","- C40 H56 Br16 N16 Zn4 -","4","1","","Yangui, Aymen; Roccanova, Rachel; McWhorter, Timothy M.; Wu, Yuntao; Du, Mao-Hua; Saparov, Bayrammurad","Hybrid Organic‒Inorganic Halides (C5H7N2)2MBr4 (M = Hg, Zn) with High Color Rendering Index and High-Efficiency White-Light Emission","Chemistry of Materials","2019","31","8","2983","","10.1021/acs.chemmater.9b00537","","","0.71073","MoKα","","0.018","0.0163","","","0.0344","0.0348","","","","","","1.008","","","","has coordinates","220377","2020-10-21","18:00:00",""
"4002972","7.13182","0.00014","7.33176","0.00014","22.8392","0.0004","90","","90","","90","","1194.23","0.04","99.9","0.5","99.9","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","di(ortho-methylphenyl) selane","","- C14 H14 Se -","- C14 H14 Se -","- C56 H56 Se4 -","4","1","","Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J.","Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry","Chemistry of Materials","2019","31","17","6598","","10.1021/acs.chemmater.9b00502","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0926","0.0928","","","","","","1.061","","","","has coordinates,has disorder","220396","2020-10-21","18:00:00",""
"4003000","13.739","0.0013","19.3401","0.0019","21.343","0.002","90","","90","","90","","5671.1","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Ba5 Cl10 F20 O27 -","- C20 Ba5 Cl10 F20 O27 -","- C80 Ba20 Cl40 F80 O108 -","4","1","","Dissanayake, K. Tauni; Amarasinghe, Dinesh K.; Suescun, Leopoldo; Rabuffetti, Federico A.","Accessing Mixed-Halide Upconverters Using Heterohaloacetate Precursors","Chemistry of Materials","2019","31","16","6262","","10.1021/acs.chemmater.9b02384","","","0.71073","MoKα","","0.0861","0.0572","","","0.1068","0.1183","","","","","","1.013","","","","has coordinates,has disorder","220423","2020-10-21","18:00:00",""
"4003042","9.362","0.002","11.627","0.003","15.805","0.004","90","","90","","90","","1720.4","0.7","296","2","296.31","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei","Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications","Chemistry of Materials","2019","31","15","5584","","10.1021/acs.chemmater.9b01304","","","0.71073","MoKα","","0.0595","0.043","","","0.1003","0.1086","","","","","","1.028","","","","has coordinates","220461","2020-10-21","18:00:00",""
"4003055","7.47367","0.00004","7.473783","0.000034","10.56693","0.00004","90","","90","","90","","590.233","0.005","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Cd2Nb2O6.3S0.7","- Cd Nb O3.14 S0.36 -","- Cd Nb O3.14 S0.36 -","- Cd8 Nb8 O25.12 S2.88 -","8","2","","Laurita, Geneva; Hickox-Young, Daniel; Husremovic, Samra; Li, Jun; Sleight, Arthur W.; Macaluso, Robin; Rondinelli, James M.; Subramanian, Mas A.","Covalency-driven Structural Evolution in the Polar Pyrochlore Series Cd2Nb2O7‒xSx","Chemistry of Materials","2019","31","18","7626","","10.1021/acs.chemmater.9b02466","powder diffraction","","0.413781","","","","","","","","","","","1.99","","","","","","","has coordinates","220474","2020-10-21","18:00:00",""
"4003087","9.2542","0.0001","13.6419","0.0002","24.1148","0.0003","90","","90","","90","","3044.37","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 Cl5 N2 Sb -","- C26 H44 Cl5 N2 Sb -","- C104 H176 Cl20 N8 Sb4 -","4","1","","Li, Zhongyuan; Li, Ye; Liang, Pei; Zhou, Tianliang; Wang, Le; Xie, Rong-Jun","Dual-Band Luminescent Lead-Free Antimony Chloride Halides with Near-Unity Photoluminescence Quantum Efficiency","Chemistry of Materials","2019","","","","","10.1021/acs.chemmater.9b02935","","x-ray","0.71073","MoKα","","0.0232","0.0221","","","0.0433","0.0437","","","","","","1.026","","","","has coordinates","225394","2020-10-21","18:00:00",""
"4003139","9.44471","0.0001","10.54296","0.0001","21.2952","0.0002","90","","90","","90","","2120.47","0.04","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Olex2 1.2 (compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)","","- C27 H23 N3 O -","- C27 H23 N3 O -","- C108 H92 N12 O4 -","4","1","","Niu, Guangle; Zhang, Ruoyao; Kwong, John P. C.; Lam, Jacky W. Y.; Chen, Congping; Wang, Jianguo; Chen, Yuncong; Feng, Xing; Kwok, Ryan T. K.; Sung, Herman H.-Y.; Williams, Ian D.; Elsegood, Mark R. J.; Qu, Jianan; Ma, Chao; Wong, Kam Sing; Yu, Xiaoqiang; Tang, Ben Zhong","Specific Two-Photon Imaging of Live Cellular and Deep-Tissue Lipid Droplets by Lipophilic AIEgens at Ultralow Concentration","Chemistry of Materials","2018","30","14","4778","","10.1021/acs.chemmater.8b01943","","","1.54184","CuKα","","0.0289","0.0275","","","0.0739","0.0754","","","","","","1.06","","","","has coordinates","226242","2020-10-21","18:00:00",""
"4003305","7.642","0.0006","14.5365","0.0012","14.957","0.0012","90","","90","","90","","1661.5","0.2","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H14 Cr Mn N8 O2 -","- C36 H56 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0387","0.0309","","","0.0725","0.075","","","","","","0.982","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003306","7.4503","0.0016","14.465","0.003","15.649","0.003","90","","90","","90","","1686.5","0.6","330","","330","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H11 Cr Mn N8 O2 -","- C36 H44 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0505","0.0371","","","0.0904","0.0942","","","","","","0.981","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003307","7.4439","0.0007","14.4725","0.0014","15.6319","0.0015","90","","90","","90","","1684.1","0.3","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H13 Cr Mn N8 O2 -","- C36 H52 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0455","0.0364","","","0.0882","0.0913","","","","","","0.963","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003308","7.6421","0.001","14.5416","0.0019","14.958","0.002","90","","90","","90","","1662.3","0.4","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H15 Cr Mn N8 O2 -","- C36 H60 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0402","0.0322","","","0.0743","0.0772","","","","","","0.978","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003309","7.425","0.0006","14.5177","0.0011","15.5242","0.0012","90","","90","","90","","1673.4","0.2","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H14 Cr Mn N8 O2 -","- C36 H56 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.0352","0.0303","","","0.0733","0.0749","","","","","","1.003","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003310","7.6459","0.0007","14.5442","0.0012","14.9647","0.0013","90","","90","","90","","1664.1","0.3","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H14 Cr Mn N8 O2 -","- C36 H56 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.039","0.0311","","","0.0727","0.0751","","","","","","0.982","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003311","7.712","0.003","13.401","0.005","14.058","0.005","90","","90","","90","","1452.9","0.9","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Cr Mn N8 -","- C9 H11 Cr Mn N8 -","- C36 H44 Cr4 Mn4 N32 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.1096","0.0707","","","0.1594","0.1817","","","","","","1.136","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003312","7.6695","0.0016","14.586","0.003","15.013","0.003","90","","90","","90","","1679.5","0.6","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H11 Cr Mn N8 O2 -","- C36 H44 Cr4 Mn4 N32 O8 -","4","1","","Yoshida, Yusuke; Inoue, Katsuya; Kikuchi, Koichi; Kurmoo, Mohamedally","Biomimetic Transformation by a Crystal of a Chiral MnII‒CrIII Ferrimagnetic Prussian Blue Analogue","Chemistry of Materials","2016","28","19","7029","","10.1021/acs.chemmater.6b02852","","","0.71073","MoKα","","0.1497","0.0897","","","0.1937","0.23","","","","","","1.256","","","","has coordinates","231509","2020-10-21","18:00:00",""
"4003411","13.6522","0.001","16.8556","0.0012","22.942","0.002","90","","90","","90","","5279.3","0.7","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyanobenzene, chloroform solvate","","- C59 H35 Cl9 N6 -","- C59 H35 Cl9 N6 -","- C236 H140 Cl36 N24 -","4","1","","Etherington, Marc K.; Kukhta, Nadzeya A.; Higginbotham, Heather F.; Danos, Andrew; Bismillah, Aisha N.; Graves, David R.; McGonigal, Paul R.; Haase, Nils; Morherr, Antonia; Batsanov, Andrei S.; Pflumm, Christof; Bhalla, Vandana; Bryce, Martin R.; Monkman, Andrew P.","Persistent Dimer Emission in Thermally Activated Delayed Fluorescence Materials.","The journal of physical chemistry. C, Nanomaterials and interfaces","2019","123","17","11109","11117","10.1021/acs.jpcc.9b01458","","x-ray","0.71073","MoKα","","0.0555","0.0464","","","0.118","0.1241","","","","","","1.032","","","","has coordinates,has disorder","236611","2020-10-21","18:00:00",""
"4003517","6.4728","0.0004","6.8453","0.0005","16.2422","0.0011","90","","90","","90","","719.66","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H10 Lu2 O16 Se4 -","- H10 Lu2 O16 Se4 -","- H20 Lu4 O32 Se8 -","2","0.5","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Enhancement of Second-Order Optical Nonlinearity in a Lutetium Selenite by Monodentate Anion Partial Substitution","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c00034","","","0.71073","MoKα","","0.0416","0.0377","","","0.0954","0.097","","","","","","1.076","","","","has coordinates","249829","2020-10-21","18:00:00",""
"4003555","7.887","0.0003","10.0639","0.0003","15.1133","0.0005","90","","90","","90","","1199.6","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 Br3 N Pb -","- C7 H10 Br3 N Pb -","- C28 H40 Br12 N4 Pb4 -","4","1","","Febriansyah, Benny; Neo, Chong Shern Daniel; Giovanni, David; Srivastava, Shivani; Lekina, Yulia; Koh, Teck Ming; Li, Yongxin; Shen, Ze Xiang; Asta, Mark; Sum, Tze Chien; Mathews, Nripan; England, Jason","Targeted Synthesis of Trimeric Organic‒Bromoplumbate Hybrids That Display Intrinsic, Highly Stokes-Shifted, Broadband Emission","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.9b03925","","","0.71073","MoKα","","0.0498","0.0361","","","0.0678","0.0727","","","","","","0.991","","","","has coordinates","252250","2020-10-21","18:00:00",""
"4003691","9.4656","0.0003","9.9015","0.0003","17.6265","0.0006","90","","90","","90","","1652.02","0.09","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ba Bi Cs3 O14 P4 -","- Ba Bi Cs3 O14 P4 -","- Ba4 Bi4 Cs12 O56 P16 -","4","1","","Qi, Lu; Chen, Zhaohui; Shi, Xuerui; Zhang, Xiaodong; Jing, Qun; Li, Na; Jiang, Zhongqi; Zhang, Bingbing; Lee, Ming-Hsien","A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c03383","","","0.71073","MoKα","","0.0258","0.0211","","","0.0385","0.0394","","","","","","0.907","","","","has coordinates","256809","2020-10-21","18:00:00",""
"4003865","10.6652","0.0007","11.9991","0.0008","16.053","0.0008","90","","90","","90","","2054.3","0.2","243","2","243","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl0.77 F0.23 Mn N9 P -","- C14 H18 Cl0.77 F0.23 Mn N9 P -","- C56 H72 Cl3.08 F0.92 Mn4 N36 P4 -","4","1","","He, Lei; Shi, Ping-Ping; Zhao, Meng-Meng; Liu, Cai-Ming; Zhang, Wen; Ye, Qiong","Emergent Chirality and Nonlinear Optical Switching in a Ferroelastic Molecular Perovskite Solid Solution","Chemistry of Materials","2021","33","2","799","805","10.1021/acs.chemmater.0c04735","","","0.71073","MoKα","","0.1347","0.1282","","","0.2785","0.2796","","","","","","1.017","","","","has coordinates","261430","2021-02-03","22:34:49",""
"4004062","8.1767","0.0003","8.7039","0.0004","16.5225","0.0007","90","","90","","90","","1175.89","0.09","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 I3 N O Pb -","- C4 H10 I3 N O Pb -","- C16 H40 I12 N4 O4 Pb4 -","4","1","","Li, Zhi; Nega, Philip W.; Nellikkal, Mansoor Ani Najeeb; Dun, Chaochao; Zeller, Matthias; Urban, Jeffrey J.; Saidi, Wissam A.; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.","Dimensional Control over Metal Halide Perovskite Crystallization Guided by Active Learning","Chemistry of Materials","2022","34","2","756","767","10.1021/acs.chemmater.1c03564","","","0.71073","MoKα","","0.0235","0.0235","","0.0513","0.0513","0.0513","","","","","","1.0209","","","","has coordinates","272498","2022-02-03","22:54:53",""
"4020001","6.9145","0.001","20.9656","0.0019","21.9283","0.0017","90","","90","","90","","3178.9","0.6","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 N6 O8 Si -","- C28 H42 N6 O8 Si -","- C112 H168 N24 O32 Si4 -","4","1","","Yu Lin Jiang; Carissa J. Wiederholf; Jennifer N. Patro; Kazuhiro Haraguchi; Marc M. Greenberg","","Journal of Organic Chemistry","2005","70","","141","149","10.1021/jo048253o","","","0.71073","","","0.0796","0.0615","","","0.1513","0.1618","","","","","","1.108","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020005","9.7483","0.0014","17.536","0.003","21.06","0.003","90","","90","","90","","3600.1","0.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H38 N2 O2 P2 Pd -","- C44 H38 N2 O2 P2 Pd -","- C176 H152 N8 O8 P8 Pd4 -","4","1","","Kevin R. Campos; Michel Journet; Sandra Lee; Edward J. J. Grabowski; Richard D. Tillyer","","Journal of Organic Chemistry","2005","70","","268","274","10.1021/jo048305+","","","0.71073","MoKα","","0.0578","0.0469","","","0.0873","0.0904","","","","","","0.895","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020008","8.0723","0.0016","12.111","0.002","34.684","0.007","90","","90","","90","","3391","1.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C152 H136 N24 O8 -","8","2","","Sébastien Schoumacker; Olivier Hamelin; Sébastien Téti; Jacques Pécaut; Marc Fontecave","","Journal of Organic Chemistry","2005","70","","301","308","10.1021/jo048380k","","","0.71073","MoKα","","0.1149","0.0462","","","0.0825","0.0986","","","","","","1.031","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020009","15.139","0.003","7.9773","0.0016","10.163","0.002","90","","90","","90","","1227.4","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Sébastien Schoumacker; Olivier Hamelin; Sébastien Téti; Jacques Pécaut; Marc Fontecave","","Journal of Organic Chemistry","2005","70","","301","308","10.1021/jo048380k","","","0.71073","MoKα","","0.0706","0.0492","","","0.0887","0.0957","","","","","","1.125","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020010","7.1662","0.0014","7.6325","0.0015","23.207","0.005","90","","90","","90","","1269.3","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13.5 Cl2 N2 Zn -","- C9 H13.5 Cl2 N2 Zn -","- C36 H54 Cl8 N8 Zn4 -","4","1","","Sébastien Schoumacker; Olivier Hamelin; Sébastien Téti; Jacques Pécaut; Marc Fontecave","","Journal of Organic Chemistry","2005","70","","301","308","10.1021/jo048380k","","","0.71073","MoKα","","0.1261","0.0956","","","0.1703","0.1787","","","","","","1.378","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4020022","11.174","0.001","13.185","0.001","56.18","0.005","90","","90","","90","","8277","1.2","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","VAPOL","","","- C40 H26 O2 -","- C40 H26 O2 -","- C480 H312 O24 -","12","3","","Matzger, Adam J.; Price, Christopher P.","","Journal of Organic Chemistry","2005","70","","1","6","10.1021/jo048853n","","","0.71073","MoKα","","0.1388","0.0703","","","0.122","0.1526","","","","","","0.8","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020027","5.122","0.003","17.263","0.008","21.099","0.007","90","","90","","90","","1865.6","1.5","153.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O6 -","- C20 H17 Br O6 -","- C80 H68 Br4 O24 -","4","1","","Hiroyuki Suga; Kei Inoue; Shuichi Inoue; Akikazu Kalehi; Motoo Shiro","","Journal of Organic Chemistry","2005","70","","47","56","10.1021/jo049007f","","","0.7107","MoKα","","","0.026","","","","0.0521","","","","","","1.025","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020042","6.1456","0.0003","10.4226","0.0006","18.8079","0.001","90","","90","","90","","1204.7","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C48 H72 O20 -","4","1","","Bhalchandra V. Joshi; Hyung Ryong Moon; James C. Fettinger; Victor E. Marquez; Kenneth A. Jacobson","","Journal of Organic Chemistry","2005","70","","439","447","10.1021/jo0487606","","","0.71073","MoKα","","0.0406","0.0323","","","0.0766","0.0804","","","","","","1.123","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020050","10.1891","0.0004","15.7633","0.0007","26.655","0.001","90","","90","","90","","4281.2","0.3","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 N O2 P -","- C28 H20 N O2 P -","- C224 H160 N8 O16 P8 -","8","2","","Heiko Bernsmann; Michel van den Berg; Rob Hoen; Adriaan J. Minnaard; Gerlinde Mehler; Manfred T. Reetz; Johannes G. de Vries; Ben L. Feringa","","Journal of Organic Chemistry","2005","70","","943","951","10.1021/jo048374o","","","0.71073","MoKα","","0.0422","0.0385","","","0.0957","0.0971","","","","","","0.993","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020058","7.9615","0.0002","9.9599","0.0002","38.3334","0.001","90","","90","","90","","3039.68","0.13","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","2","","Tung Siu; Christine J. Picard; Andrei K. Yudin","","Journal of Organic Chemistry","2005","70","","932","937","10.1021/jo048591p","","","0.71073","MoKα","","0.0614","0.0418","","","0.0862","0.0936","","","","","","1.022","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020061","6.527","0.001","10.719","0.001","23.553","0.003","90","0.007","90","0.007","90","0.008","1647.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2R,7aR)-3-Oxo-2-{[(1R)-1-phenylethyl]amino} tetrahydro-1H-pyrrolizine-7a(5H)-carboxylate","","- C17 H22 N2 O3 -","- C17 H22 N2 O3 -","- C68 H88 N8 O12 -","4","1","","Franca M. Cordero; Federica Pisaneschi; Karina Meschini Batista; Silvia Valenza; Fabrizio Machetti; Alberto Brandi","","Journal of Organic Chemistry","2005","70","","856","867","10.1021/jo0487653","","","1.54178","CuKα","","0.0389","0.0387","","","0.1089","0.1094","","","","","","1.047","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020065","8.549","0.004","10.236","0.004","35.646","0.015","90","","90","","90","","3119","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Isoxazolidine","","","- C32 H37 N O8 S -","- C32 H37 N O8 S -","- C128 H148 N4 O32 S4 -","4","1","","Narayan S. Karunjule; Shankar D. Markad; Tarun Sharma; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","","Journal of Organic Chemistry","2005","70","","1356","1363","10.1021/jo048176x","","","0.71073","MoKα","","0.0584","0.044","","","0.0976","0.1099","","","","","","1.126","","","","has coordinates","178378","2020-10-21","18:00:00",""
"4020070","11.2677","0.0019","16.808","0.003","25.638","0.004","90","","90","","90","","4855.5","1.4","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H50 N2 O6 -","- C62 H50 N2 O6 -","- C248 H200 N8 O24 -","4","1","","Hyuma Masu; Masaki Sakai; Keiki Kishikawa; Makoto Yamamoto; Kentaro Yamaguchi; Shigeo Kohmoto","","Journal of Organic Chemistry","2005","70","","1423","1431","10.1021/jo048233m","","","0.71073","MoKα","","0.1616","0.0818","","","0.1983","0.2358","","","","","","0.847","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020074","6.102","0.002","9.911","0.004","30.75","0.01","90","","90","","90","","1859","1","150.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C96 H100 N4 O12 -","4","1","","Takashi Sakai; Yu Liu; Hiroshi Ohta; Toshinobu Korenaga; Tadashi Ema","","Journal of Organic Chemistry","2005","70","","1369","1375","10.1021/jo048243n","","","0.7107","MoKα","","","0.0694","","","","0.1851","","","","","","1.977","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020077","5.8916","0.0004","8.8285","0.0005","26.731","0.0018","90","","90","","90","","1390.39","0.15","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F3 O2 -","- C14 H17 F3 O2 -","- C56 H68 F12 O8 -","4","1","","Alice E. Lurain; Patrick J. Carroll; Patrick J. Walsh","","Journal of Organic Chemistry","2005","70","","1262","1268","10.1021/jo048345d","","","0.71069","MoKα","","0.0505","0.0475","","","0.1255","0.1293","","","","","","1.068","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020086","6.5473","0.0002","10.862","0.0003","18.6055","0.0006","90","","90","","90","","1323.16","0.07","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,1-Dibromo-2-(trans,trans-2-methoxy-1-methyl-3-phenylcyclopropyl)ethene","","- C13 H14 Br2 O -","- C13 H14 Br2 O -","- C52 H56 Br8 O4 -","4","1","","Gottschling, Stephen E.; Grant, Tina N.; Milnes, Kaarina K.; Jennings, Michael, C.; Baines, Kim M.","Cyclopropyl Alkynes as Mechanistic Probes to Distinguish Between Vinyl Radical and Ionic Intermediates","Journal of Organic Chemistry","2005","70","","2686","2695","10.1021/jo047797n","","","0.71073","MoKα","","0.0788","0.0611","","","0.1403","0.1512","","","","","","1.073","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020094","8.101","0.006","9.767","0.007","18.669","0.013","90","","90","","90","","1477.3","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O2 -","- C16 H17 Br O2 -","- C64 H68 Br4 O8 -","4","1","","Shengming Ma; Bin Wu; Xuefeng Jiang; Shimin Zhao","","Journal of Organic Chemistry","2005","70","","2568","2575","10.1021/jo0480038","","","0.71073","MoKα","","0.0711","0.0376","","","0.0663","0.0717","","","","","","0.772","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020113","11.145","0.003","22.855","0.007","10.089","0.004","90","","90","","90","","2569.9","1.4","298","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","(aS,S)-piperidinomethylpyrrolidine","","","- C29 H35 N2 O P -","- C29 N2 O P -","- C116 N8 O4 P4 -","4","1","","Mino, Takashi; Saito, Akio; Tanaka, Youichi; Hasegawa, Shintaro; Sato, Yutaka; Sakamoto, Masami; Fujita, Tsutomu","Amination of N-Aryl Prolinol via Ring Expansion and Contraction: Application to the Chiral Ligand for the Catalytic Asymmetric Reaction","Journal of Organic Chemistry","2005","70","5","1937","1940","10.1021/jo0479967","","","1.54178","CuKα","","0.051","0.048","","0.261","0.261","0.261","","","0.753","0.596","0.596","0.596","","","","has coordinates","219039","2020-10-21","18:00:00",""
"4020122","7.2994","0.0005","14.3444","0.0009","20.455","0.0013","90","","90","","90","","2141.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C92 H100 N4 O20 S4 -","4","1","","Min-Ruei Tsai; Bo-Fong Chen; Chih-Ching Cheng; Nein-Chen Chang","","Journal of Organic Chemistry","2005","70","","1780","1785","10.1021/jo048073e","","","0.71073","MoKα","","0.0503","0.0371","","","0.0879","0.0955","","","","","","1.074","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020138","10.265","0.001","11.501","0.004","20.442","0.005","90","","90","","90","","2413.3","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 N O5 -","- C29 H35 N O5 -","- C116 H140 N4 O20 -","4","1","","Huifang Wu; Denzil Bernard; Weibin Chen; Gary D. Strahan; Jeffrey R. Deschamps; Damon A. Parrish; John W. Lewis; Alexander D. MacKerell, Jr.; Andrew Coop","","Journal of Organic Chemistry","2005","70","","1907","1910","10.1021/jo048388u","","","1.54178","CuKα","","0.0634","0.0501","","","0.1334","0.1474","","","","","","1.032","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020153","7.8196","0.0009","11.4374","0.0012","19.142","0.002","90","","90","","90","","1712","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B F3 N -","- C17 H25 B F3 N -","- C68 H100 B4 F12 N4 -","4","1","","Yun Ma; Emil Lobkovsky; David B. Collum","","Journal of Organic Chemistry","2005","70","","2335","2337","10.1021/jo0480895","","","0.71073","MoKα","","0.0673","0.0432","","","0.0924","0.1043","","","","","","0.971","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020163","10.159","0.001","11.094","0.001","17.907","0.001","90","0.003","90","0.003","90","0.003","2018.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R,E,SS)-Trimethyl-[2-(2-tert-butoxycarbonylamino-2- methoxycarbonylethylsulfinyl)vinyl]silane","","- C14 H27 N O5 S Si -","- C14 H27 N O5 S Si -","- C56 H108 N4 O20 S4 Si4 -","4","1","","Maria C. Aversa; Anna Barattucci; Paola Bonaccorsi; Placido Giannetto","L-Cysteine, a Versatile Source of Sulfenic Acids. Synthesis of Enantiopure Alliin analogues","Journal of Organic Chemistry","2005","70","","1986","1992","10.1021/jo048662k","","","1.54178","CuKα","","0.0707","0.0623","","","0.1367","0.1405","","","","","","1.171","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020169","8.5839","0.0016","14.514","0.003","30.157","0.006","90","","90","","90","","3757.3","1.2","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H45 Br N2 O4 S -","- C40 H45 Br N2 O4 S -","- C160 H180 Br4 N8 O16 S4 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020170","6.419","0.0011","17.531","0.003","22.374","0.004","90","","90","","90","","2517.8","0.8","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 Br N O4 -","- C26 H32 Br N O4 -","- C104 H128 Br4 N4 O16 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020171","5.554","0.003","10.954","0.005","20.878","0.009","90","","90","","90","","1270.2","1","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Br O2 -","- C14 H17 Br O2 -","- C56 H68 Br4 O8 -","4","1","","Dwight D. Kim; Suk Joong Lee; Peter Beak","","Journal of Organic Chemistry","2005","70","","5376","5386","10.1021/jo047752m","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020193","10.0857","0.0007","15.8359","0.0011","17.7444","0.0014","90","","90","","90","","2834.1","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O7 -","- C33 H37 N O7 -","- C132 H148 N4 O28 -","4","1","","Darren B. Hansen; Xiaobo Wan; Patrick J. Carroll; Madeleine M. Joullié","","Journal of Organic Chemistry","2005","70","","3120","3126","10.1021/jo047876z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020209","11.8288","0.0003","17.1521","0.0004","17.8083","0.0005","90","","90","","90","","3613.1","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 N4 O7 -","- C38 H48 N4 O7 -","- C152 H192 N16 O28 -","4","1","","Eric J. Stoner; Michael S. Allen; Alan C. Christesen; Rodger F. Henry; L. Steven Hollis; Robert Keyes; Ian Marsden; Tamara C. Rehm; Sandeep G. Shiroor; Niru B. Soni; Kent D. Stewart","","Journal of Organic Chemistry","2005","70","","3332","3335","10.1021/jo0500131","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020210","10.4915","0.0003","16.6596","0.0004","17.7783","0.0004","90","","90","","90","","3107.37","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 N2 O7 -","- C34 H42 N2 O7 -","- C136 H168 N8 O28 -","4","1","","Eric J. Stoner; Michael S. Allen; Alan C. Christesen; Rodger F. Henry; L. Steven Hollis; Robert Keyes; Ian Marsden; Tamara C. Rehm; Sandeep G. Shiroor; Niru B. Soni; Kent D. Stewart","","Journal of Organic Chemistry","2005","70","","3332","3335","10.1021/jo0500131","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020213","10.5215","0.001","14.6712","0.0014","24.061","0.002","90","","90","","90","","3714.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H53 F2 N3 O7 Si2 -","- C28 H52 F2 N3 O7 Si2 -","- C112 H208 F8 N12 O28 Si8 -","4","1","","Xiao-Long Qiu; Feng-Ling Qing","","Journal of Organic Chemistry","2005","70","","3826","3837","10.1021/jo050057+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020214","6.003","0.0012","9.981","0.002","26.437","0.005","90","","90","","90","","1584","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O4 -","- C15 H26 O4 -","- C60 H104 O16 -","4","1","","Alex M. Szpilman; Edward E. Korshin; Haim Rozenberg; Mario D. Bachi","","Journal of Organic Chemistry","2005","70","","3618","3632","10.1021/jo050074z","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020216","6.3071","0.0003","12.1522","0.0009","32.017","0.002","90","","90","","90","","2454","0.2","93.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N O3 -","- C27 H29 Cl2 N O3 -","- C108 H116 Cl8 N4 O12 -","4","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020217","6.3028","0.0005","12.7985","0.0009","31.838","0.004","90","","90","","90","","2568.2","0.4","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N O3 -","- C27 H28 Cl2 N O3 -","- C108 H112 Cl8 N4 O12 -","4","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020218","6.275","0.004","12.617","0.008","31.923","0.019","90","","90","","90","","2527","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N O3 -","- C27 H29 Cl2 N O3 -","- C108 H116 Cl8 N4 O12 -","4","1","","Hideko Koshima; Hirohisa Kawanishi; Masaki Nagano; Haitao Yu; Motoo Shiro; Takaaki Hosoya; Hidehiro Uekusa; Yuji Ohashi","","Journal of Organic Chemistry","2005","70","","4490","4497","10.1021/jo0500784","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020222","3.9446","0.0003","15.7446","0.0011","18.1173","0.0014","90","","90","","90","","1125.2","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br F O3 -","- C12 H10 Br F O3 -","- C48 H40 Br4 F4 O12 -","4","1","","Gillian E. Morton; Anthony G. M. Barrett","","Journal of Organic Chemistry","2005","70","","3525","3529","10.1021/jo050112e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020224","8.266","0.003","11.948","0.004","27.816","0.01","90","","90","","90","","2747.3","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H20 N O S3 -","- C14.5 H14.5 N0.5 O S1.5 -","- C116 H116 N4 O8 S12 -","8","2","","Yolanda Arroyo; Ángela Meana; J. Félix Rodríguez; Mercedes Santos; M. Ascensión Sanz-Tejedor; José. L. García Ruano","","Journal of Organic Chemistry","2005","70","","3914","3920","10.1021/jo050129x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020260","8.1212","0.0007","14.9889","0.0012","15.8159","0.0013","90","","90","","90","","1925.2","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C72 H80 N16 O32 -","4","1","","Manuela Tosin; Colin O'Brien; Geraldine M. Fitzpatrick; Helge Müller-Bunz; W. Kenneth Glass; Paul V. Murphy","","Journal of Organic Chemistry","2005","70","","4096","4106","10.1021/jo0501994","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020261","11.977","0.002","15.047","0.003","21.319","0.004","90","","90","","90","","3842.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N8 O16 -","- C32 H38 N8 O16 -","- C128 H152 N32 O64 -","4","1","","Manuela Tosin; Paul V. Murphy","","Journal of Organic Chemistry","2005","70","","4107","4117","10.1021/jo050200z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020285","7.8553","0.0001","12.6178","0.0002","21.7682","0.0003","90","","90","","90","","2157.59","0.05","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C88 H116 N4 O28 -","4","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020286","7.183","0.003","12.295","0.004","25.615","0.012","90","","90","","90","","2262.2","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C92 H124 N4 O28 -","4","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020288","6.6205","0.0017","10.695","0.005","16.226","0.007","90","","90","","90","","1148.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Mauro Marzi; Juan R. Del Valle","","Journal of Organic Chemistry","2005","70","","5070","5085","10.1021/jo050326w","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020297","9.566","0.002","10.902","0.003","14.003","0.004","90","","90","","90","","1460.3","0.7","103.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 S -","- C15 H22 O2 S -","- C60 H88 O8 S4 -","4","1","","Yusuke Nakashima; Toshio Shimizu; Kazunori Hirabayashi; Fujiko Iwasaki; Mikio Yamasaki; Nobumasa Kamigata","","Journal of Organic Chemistry","2005","70","","5020","5027","10.1021/jo050343l","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020299","6.112","0.003","10.011","0.004","30.05","0.01","90","","90","","90","","1838","1","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O4 -","- C21 H21 Br O4 -","- C84 H84 Br4 O16 -","4","1","","Hideaki Watanabe; Mitsuhiro Iwamoto; Masahisa Nakada","","Journal of Organic Chemistry","2005","70","","4652","4658","10.1021/jo050349a","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020300","7.7142","0.0002","12.489","0.0003","16.4407","0.0004","90","","90","","90","","1583.94","0.07","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020303","10.0199","0.0003","14.4855","0.0005","15.229","0.0006","90","","90","","90","","2210.39","0.13","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C104 H112 N8 O12 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020304","8.4712","0.0004","9.1064","0.0004","21.7919","0.0007","90","","90","","90","","1681.07","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C76 H88 N8 O20 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020305","9.4969","0.0003","14.4534","0.0004","21.8742","0.0007","90","","90","","90","","3002.51","0.16","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H43 N3 O3 -","- C34 H43 N3 O3 -","- C136 H172 N12 O12 -","4","1","","Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer","","Journal of Organic Chemistry","2005","70","","5323","5326","10.1021/jo050362v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020316","5.513","0.006","12.528","0.014","26.192","0.023","90","","90","","90","","1809","3.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Paol02","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","","Xiaochuan Chen; Jinchun Chen; Michael De Paolis; Jieping Zhu","","Journal of Organic Chemistry","2005","70","","4397","4408","10.1021/jo050408k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020327","13.346","0.002","9.489","0.002","36.686","0.007","89","","89","","90","","4645","1","123.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H17 N5 O -","- C29 H17 N5 O -","- C232 H136 N40 O8 -","8","2","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020328","8.925","0.002","8.797","0.002","31.697","0.007","90","","90","","90","","2488.8","0.8","293.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N5 O -","- C29 H23 N5 O -","- C116 H92 N20 O4 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020330","8.434","0.003","10.485","0.004","25.37","0.009","90","","90","","90","","2243","1","153.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 O5 -","- C28 H28 O5 -","- C112 H112 O20 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020331","11.679","0.003","17.481","0.005","20.736","0.005","90","","90","","90","","4233","1","153.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H58 O8 -","- C48 H58 O8 -","- C192 H232 O32 -","4","1","","Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi","","Journal of Organic Chemistry","2005","70","","5592","5598","10.1021/jo0505324","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020336","8.719","0.004","13.16","0.006","15.8","0.007","90","","90","","90","","1812","1","296.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N P S Se -","- C16 H22 N P S Se -","- C64 H88 N4 P4 S4 Se4 -","4","1","","Tsutomu Kimura; Toshiaki Murai; Akihiro Miwa; Daisuke Kurachi; Haruhisa Yoshikawa; Shinzi Kato","","Journal of Organic Chemistry","2005","70","","5611","5617","10.1021/jo050576c","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020344","10.6025","0.0004","17.5485","0.0006","37.3067","0.0013","90","","90","","90","","6941.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H78 N9 O21 Rh2 -","- C66 H76 N9 O20 Rh2 -","- C264 H304 N36 O80 Rh8 -","4","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020345","10.8222","0.0014","21.851","0.003","30.51","0.004","90","","90","","90","","7214.9","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Rh2-complex","","","- C66 H84 N8 O22 Rh2 -","- C66 H84.003 N8 O22 Rh2 -","- C264 H336.012 N32 O88 Rh8 -","4","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020346","15.934","0.003","22.317","0.005","24.695","0.005","90","","90","","90","","8782","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C71 H80 N12 O32 Rh2 S4 -","- C71 H80 N12 O32 Rh2 S4 -","- C284 H320 N48 O128 Rh8 S16 -","4","1","","Michael P. Doyle; John P. Morgan; James C. Fettinger; Peter Y. Zavalij; John T. Colyer; Daren J. Timmons; Michael D. Carducci","","Journal of Organic Chemistry","2005","70","","5291","5301","10.1021/jo050609o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4020350","5.5724","0.0008","12.1744","0.0018","24.426","0.004","90","","90","","90","","1657","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13.33 Cl0.67 N2 O0.67 -","- C12 H13.3333 Cl0.666667 N2 O0.666667 -","- C72 H80 Cl4 N12 O4 -","6","1.5","","Mark S. Kerr; Javier Read de Alaniz; Tomislav Rovis","","Journal of Organic Chemistry","2005","70","","5725","5728","10.1021/jo050645n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020351","7.3144","0.0005","8.326","0.0006","23.569","0.0017","90","","90","","90","","1435.34","0.18","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Thomas Hjelmgaard; Inger Søtofte; David Tanner","","Journal of Organic Chemistry","2005","70","","5688","5697","10.1021/jo0506682","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020356","9.6172","0.0009","10.6768","0.001","18.0297","0.0016","90","","90","","90","","1851.3","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O8 -","- C19 H25 N O8 -","- C76 H100 N4 O32 -","4","1","","Michael L. Wilson; Patrick J. Carroll; David R. Dalton","","Journal of Organic Chemistry","2005","70","","6492","6495","10.1021/jo050264+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020372","6.928","","9.9129","","12.5725","","90","","90","","90","","863.44","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H N S -","- C28 H52 N4 O8 S4 -","- C28 H52 N4 O8 S4 -","","","","Li Gao; Rawle I. Hollingsworth","Design and Evaluation of Dihydroxytetrahydro-1H-pyrrolo[2,1-c]-[1,4]benzothiazines as Conformationally Restricted Transition-State Inhibitors of β-Ribosidases","Journal of Organic Chemistry","2005","70","","9013","9016","10.1021/jo050374g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020378","7.8186","0.0005","12.8815","0.0008","13.7597","0.0008","90","","90","","90","","1385.81","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 F3 N2 O -","- C16 H13 F3 N2 O -","- C64 H52 F12 N8 O4 -","4","1","","Choong Leol Yoo; James C. Fettinger; Mark J. Kurth","Stannous Chloride in Alcohol: A One-Pot Conversion of 2-Nitro-N-arylbenzamides to 2,3-Dihydro-1H-quinazoline-4-ones","Journal of Organic Chemistry","2005","70","","6941","6943","10.1021/jo050450f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020379","10.1002","0.0006","11.4854","0.0007","11.816","0.0007","90","","90","","90","","1370.71","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Fe N4 O -","- C17 H12 Fe N4 O -","- C68 H48 Fe4 N16 O4 -","4","1","","Francisco Otón; Alberto Tarraga; Arturo Espinosa; Maria D. Velasco; Delia Bautista; Pedro Molina","Preparation, Structure, and Anion Sensing Properties of 1,n-Diaza[n]ferrocenophanes","Journal of Organic Chemistry","2005","70","","6603","6608","10.1021/jo050458p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020390","10.7925","0.0016","11.2104","0.0017","15.047","0.002","90","","90","","90","","1820.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O5 S -","- C17 H26 N2 O5 S -","- C68 H104 N8 O20 S4 -","4","1","","Ravindranadh V. Somu; Rodney L. Johnson","","Journal of Organic Chemistry","2005","70","","5954","5963","10.1021/jo050529k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020391","9.8902","0.0013","10.0941","0.0013","23.188","0.003","90","","90","","90","","2314.9","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N4 O5 S -","- C21 H32 N4 O5 S -","- C84 H128 N16 O20 S4 -","4","1","","Ravindranadh V. Somu; Rodney L. Johnson","","Journal of Organic Chemistry","2005","70","","5954","5963","10.1021/jo050529k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020392","11.476","0.002","14.104","0.002","14.63","0.002","90","","90","","90","","2367.9","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 N4 O6 S -","- C21 H34 N4 O6 S -","- C84 H136 N16 O24 S4 -","4","1","","Ravindranadh V. Somu; Rodney L. Johnson","","Journal of Organic Chemistry","2005","70","","5954","5963","10.1021/jo050529k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020400","12.9144","0.0009","23.419","0.0013","38.574","0.003","90","","90","","90","","11666.4","1.4","293","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C117 H149 Cl2 N5 O8 S8 -","- C117 H128 Cl2 N5 O8 S8 -","- C468 H512 Cl8 N20 O32 S32 -","4","1","","Bang-Tun Zhao; María-Jesús Blesa; Nicolas Mercier; Franck Le Derf; Marc Sallé","","Journal of Organic Chemistry","2005","70","","6254","6257","10.1021/jo0505876","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020409","6.8229","0.0008","15.473","0.0017","18.734","0.002","90","","90","","90","","1977.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O9 -","- C19 H27 N O9 -","- C76 H108 N4 O36 -","4","1","","Jhimli Sengupta; Ranjan Mukhopadhyay; Anup Bhattacharjya; Mohan M. Bhadbhade; Gaurav V. Bhosekar","Synthesis and Intramolecular Nitrile Oxide Cycloaddition of 3,5'-Ether-Linked Pseudooligosaccharide Derivatives: An Approach to Chiral Macrooxacycles","Journal of Organic Chemistry","2005","70","","8579","8582","10.1021/jo050689w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020416","9.792","0.004","10.144","0.005","22.818","0.014","90","","90","","90","","2266.5","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","FLAMANT021","","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C84 H120 N8 O20 -","4","1","","Sukeerthi Kumar; Céline Flamant-Robin; Qian Wang; Angèle Chiaroni; N. André Sasaki","","Journal of Organic Chemistry","2005","70","","5946","5953","10.1021/jo050736k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020420","9.87","0.003","13.506","0.004","21.404","0.006","90","","90","","90","","2853.2","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H47 N3 O4 -","- C24 H47 N3 O4 -","- C96 H188 N12 O16 -","4","1","","Stephen Hanessian; Hongying Yun; Yihua Hou; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Azacyclic Hydroxyethylene Isosteres as Aspartic Protease Inhibitors: Dipolar Cycloaddition and Related Methodologies toward Branched Pyrrolidine and Pyrrolidinone Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6746","6756","10.1021/jo050740w","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020428","9.71","0.003","10.824","0.002","21.069","0.008","90","","90","","90","","2214.4","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C96 H124 N4 O12 -","4","1","","Stephen Hanessian; Yihua Hou; Malken Bayrakdarian; Marina Tintelnot-Blomley","Stereoselective Synthesis of Constrained Oxacyclic Hydroxyethylene Isosteres of Aspartic Protease Inhibitors: Aldol and Mukaiyama Aldol Methodologies for Branched Tetrahydrofuran 2-Carboxylic Acids","Journal of Organic Chemistry","2005","70","","6735","6745","10.1021/jo050749y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020436","18.3858","0.0003","26.1493","0.0004","10.2794","0.0002","90","","90","","90","","4942.09","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3 -","- C28 H30 N2 O3 -","- C224 H240 N16 O24 -","8","2","","Gregory K. Friestad; Cristian Draghici; Mustapha Soukri; Jun Qin","","Journal of Organic Chemistry","2005","70","","6330","6338","10.1021/jo050756m","","","","","","","0.0644","","","0.1213","0.1285","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020440","14.615","0.001","15.929","0.001","8.391","0.002","90","","90","","90","","1953.3","0.5","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O2 S -","- C23 H24 O2 S -","- C92 H96 O8 S4 -","4","1","","Chisato Mukai; Fuyuhiko Inagaki; Tatsunori Yoshida; Katsuya Yoshitani; Yasuyuki Hara; Shinji Kitagaki","Rh(I)-Catalyzed Pauson-Khand Reaction and Cycloisomerization of Allenynes: Selective Preparation of Monocyclic, Bicyclo[m.3.0], and Bicyclo[5.2.0] Ring Systems","Journal of Organic Chemistry","2005","70","","7159","7171","10.1021/jo050770z","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020443","5.7086","0.0003","13.0589","0.0007","15.2878","0.0008","90","","90","","90","","1139.68","0.1","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Thomas D. Avery; Daniela Caiazza; Julie A. Culbert; Dennis K. Taylor; Edward R. T. Tiekink","1,2-Dioxines Containing Tethered Hydroxyl Functionality as Convenient Precursors for Pyran Syntheses","Journal of Organic Chemistry","2005","70","","8344","8351","10.1021/jo050806n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020454","12.689","0.002","16.874","0.002","26.23","0.004","90","","90","","90","","5616.2","1.4","150","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 N2 O7 -","- C29 H36 N2 O7 -","- C232 H288 N16 O56 -","8","2","","Pham, Tien Q.; Pyne, Stephen G.; Skelton, Brian W.; White, Allan H.","Synthesis of Carbocyclic Hydantocidins via Regioselective and Diastereoselective Phosphine-Catalyzed [3 + 2]-Cycloadditions to 5-Methylenehydantoins","Journal of Organic Chemistry","2005","70","16","6369","6377","10.1021/jo050827h","","","","","","","","","","","","","","","","","","","","","has coordinates","273005","2022-02-17","12:51:48",""
"4020456","9.0715","0.0003","12.551","0.0005","17.8175","0.0007","90","","90","","90","","2028.64","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C72 H132 N4 O16 -","4","1","","Esa T. T. Kumpulainen; Juho Helaja; Jari Koivisto; Ari M. P. Koskinen; Heidi Mansikkamäki; Kari Rissanen","","Journal of Organic Chemistry","2005","70","","6447","6453","10.1021/jo050838a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020457","6.325","0.0007","10.4854","0.0016","24.049","0.004","90","","90","","90","","1594.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C56 H100 N4 O16 -","4","1","","Esa T. T. Kumpulainen; Juho Helaja; Jari Koivisto; Ari M. P. Koskinen; Heidi Mansikkamäki; Kari Rissanen","","Journal of Organic Chemistry","2005","70","","6447","6453","10.1021/jo050838a","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020463","7.4427","0.0001","14.1667","0.0002","16.6939","0.0003","90","","90","","90","","1760.18","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 F3 N3 -","- C21 H18 F3 N3 -","- C84 H72 F12 N12 -","4","1","","Graham Sandford; Rachel Slater; Dmitrii S. Yufit; Judith A. K. Howard; Antonio Vong","Tetrahydropyrido[3,4-b]pyrazine Scaffolds from Pentafluoropyridine","Journal of Organic Chemistry","2005","70","","7208","7216","10.1021/jo0508696","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020474","10.1647","0.0003","10.1944","0.0003","67.375","0.002","90","","90","","90","","6981.6","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O8 -","- C23.3333 H28.3333 O8.83333 -","- C280 H340 O106 -","12","3","","Chaomin Li; John A. Porco, Jr.","Synthesis and NF-kB Inhibition of the Anti-Angiogenesis Agent(+) -Epoxyquinol A and Related Molecules","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020476","8.007","0.0016","10.307","0.002","41.274","0.008","90","","90","","90","","3406.4","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 Br2 O11 -","- C38 H26 Br2 O11 -","- C152 H104 Br8 O44 -","4","1","","Chaomin Li; John A. Porco, Jr.","Synthesis of the Epoxyquinol Dimer RKB-3564 D: Utilization of an Alkoxysilanol to Promote [4+4] Dimerization","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020478","10.216","0.002","11.299","0.002","19.715","0.004","90","","90","","90","","2275.7","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 O7 -","- C27 H26 O7 -","- C108 H104 O28 -","4","1","","Chaomin Li; John A. Porco, Jr.","","Journal of Organic Chemistry","2005","70","","6053","6065","10.1021/jo050897o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020482","5.7312","0.0003","8.9039","0.0005","37.933","0.002","90","","90","","90","","1935.74","0.19","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N3 -","- C25 H21 N3 -","- C100 H84 N12 -","4","1","","Jye-Shane Yang; Yan-Duo Lin; Ya-Ho Chang; Shin-Shin Wang","","Journal of Organic Chemistry","2005","70","","6066","6073","10.1021/jo0509049","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020491","9.5506","0.0019","13.846","0.003","20.022","0.004","90","","90","","90","","2647.6","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O7 -","- C30 H32 O7 -","- C120 H128 O28 -","4","1","","Tony K. M. Shing; Gulice Y. C. Leung; To Luk","Arabinose-Derived Ketones as Catalysts for Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","7279","7289","10.1021/jo050928f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020497","11.0669","0.0017","13.257","0.002","22.029","0.003","90","","90","","90","","3232.1","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 N2 O3 -","- C38 H44 N2 O3 -","- C152 H176 N8 O12 -","4","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Bernabé Casado","Chiral Template Mediated Diastereoselective Intramolecular Diels-Alder Reaction Using Furan as a Diene. Toward the Synthesis of Enantiopure Trisubstituted Tetrahydroepoxyisoindolones","Journal of Organic Chemistry","2005","70","","7273","7278","10.1021/jo0509509","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020507","7.2933","0.001","8.2345","0.0012","24.418","0.003","90","","90","","90","","1466.4","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 O5 -","- C16 H15 N3 O5 -","- C64 H60 N12 O20 -","4","1","","Xiaoguang Lei; Nava Zaarur; Michael Y. Sherman; John A. Porco, Jr.","","Journal of Organic Chemistry","2005","70","","6474","6483","10.1021/jo050956y","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020540","11.567","0.001","13.101","0.001","13.604","0.002","90","","90","","90","","2061.6","0.4","273.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F3 N O2 -","- C23 H26 F3 N O2 -","- C92 H104 F12 N4 O8 -","4","1","","Hillary M. Peltier; Jonathan A. Ellman","N-Sulfinyl Metalloenamine Conjugate Additions: Asymmetric Synthesis of Piperidines","Journal of Organic Chemistry","2005","70","","7342","7345","10.1021/jo051020s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020541","9.365","0.0002","10.6994","0.0002","13.7621","0.0002","90","","90","","90","","1378.96","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-2-anisyl(t-butyl)methylphosphpine-borane","","","- C12 H22 B O P -","- C12 H22 B O P -","- C48 H88 B4 O4 P4 -","4","1","","Yukitoshi Takahashi; Yoshikazu Yamamoto; Kosuke Katagiri; Hiroshi Danjo; Kentaro Yamaguchi; Tsuneo Imamoto","P-Chiral o-Phosphinophenol as a P/O Hybrid Ligand: Preparation and Use in Cu-Catalyzed Asymmetric Conjugate Addition of Diethylzinc to Acyclic Enones","Journal of Organic Chemistry","2005","70","","9009","9012","10.1021/jo051034y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020547","7.339","0.002","8.269","0.003","21.022","0.005","90","","90","","90","","1275.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020548","5.018","0.0004","18.2276","0.0017","20.8563","0.0019","90","","90","","90","","1907.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Sandra Izquierdo; Federico Rúa; Abdelouahid Sbai; Teodor Parella; Ángel Álvarez-Larena; Vicenç Branchadell; Rosa M. Ortuño","(+)- and (-)-2-Aminocyclobutane-1-carboxylic Acids and Their Incorporation into Highly Rigid β-Peptides: Stereoselective Synthesis and a Structural Study","Journal of Organic Chemistry","2005","70","","7963","7971","10.1021/jo0510843","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020552","5.198","0.004","16.182","0.01","21.494","0.013","90","","90","","90","","1808","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N O8 -","- C15 H25 N O8 -","- C60 H100 N4 O32 -","4","1","","Juhienah K. Khalaf; Apurba Datta","Stereoselective Route to the Ezoaminuroic Acid Core of the Ezomycins","Journal of Organic Chemistry","2005","70","","6937","6940","10.1021/jo051086n","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020560","11.737","0.001","13.948","0.001","34.381","0.003","90","","90","","90","","5628.4","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H63 N6 O8.5 -","- C66 H62 N6 O8.5 -","- C264 H248 N24 O34 -","4","1","","Jonathan P. May; Pierre Fournier; Jonathan Pellicelli; Brian O. Patrick; David M. Perrin","High Yielding Synthesis of 3a-Hydroxypyrrolo[2,3-b]indoline Dipeptide Methyl Esters: Synthons for Expedient Introduction of the Hydroxypyrroloindoline Moiety into Larger Peptide-Based Natural Products and for the Creation of Tryptathionine Bridges.","Journal of Organic Chemistry","2005","70","","8424","8430","10.1021/jo051105t","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4020561","10.275","0.0006","16.361","0.001","17.474","0.001","90","","90","","90","","2937.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 N3 O4 -","- C36 H35 N3 O4 -","- C144 H140 N12 O16 -","4","1","","Jonathan P. May; Pierre Fournier; Jonathan Pellicelli; Brian O. Patrick; David M. Perrin","High Yielding Synthesis of 3a-Hydroxypyrrolo[2,3-b]indoline Dipeptide Methyl Esters: Synthons for Expedient Introduction of the Hydroxypyrroloindoline Moiety into Larger Peptide-Based Natural Products and for the Creation of Tryptathionine Bridges.","Journal of Organic Chemistry","2005","70","","8424","8430","10.1021/jo051105t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020572","5.2721","0.0013","12.916","0.003","23.515","0.006","90","","90","","90","","1601.3","0.7","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Compound 14a","","","- C18 H14 Br Cl F N O -","- C18 H14 Br Cl F N O -","- C72 H56 Br4 Cl4 F4 N4 O4 -","4","1","","Michael C. Hillier; Jean-François Marcoux; Dalian Zhao; Edward J. J. Grabowski; Arlene E. McKeown; Richard D. Tillyer","Stereoselective Formation of Carbon-Carbon Bonds via S~N2~-Displacement: Synthesis of Substituted Cycloalkyl[b]indoles","Journal of Organic Chemistry","2005","70","","8385","8394","10.1021/jo051146p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020574","5.9101","0.0004","14.4928","0.0014","17.659","0.002","90","","90","","90","","1512.6","0.2","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Romain Noël; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Synthesis of New Chiral 6-Carbonyl 2,3,8,8a-Tetrahydro-7H-oxazolo[3,2-a]pyridines","Journal of Organic Chemistry","2005","70","","9044","9047","10.1021/jo051192p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020575","6.037","0.002","7.533","0.002","30.403","0.005","90","","90","","90","","1382.6","0.6","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Romain Noël; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Synthesis of New Chiral 6-Carbonyl 2,3,8,8a-Tetrahydro-7H-oxazolo[3,2-a]pyridines","Journal of Organic Chemistry","2005","70","","9044","9047","10.1021/jo051192p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020576","7.9659","0.0014","10.1397","0.0015","18.36","0.004","90","","90","","90","","1483","0.5","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Romain Noël; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Synthesis of New Chiral 6-Carbonyl 2,3,8,8a-Tetrahydro-7H-oxazolo[3,2-a]pyridines","Journal of Organic Chemistry","2005","70","","9044","9047","10.1021/jo051192p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020589","7.8941","0.001","15.213","0.002","27.777","0.004","90","","90","","90","","3335.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 O5 Si -","- C34 H50 O5 Si -","- C136 H200 O20 Si4 -","4","1","","Santiago Díaz-Oltra; Juan Murga; Eva Falomir; Miguel Carda; Gabriel Peris; J. Alberto Marco","Double Diastereoselection in Aldol Reactions Mediated by Dicyclohexylchloroborane between Chiral Aldehydes and a Chiral Ethyl Ketone Derived from L-Erythrulose. Synthesis of a C1-C9 Fragment of the Structure of the Antifungal Metabolite Soraphen A~1α~","Journal of Organic Chemistry","2005","70","","8130","8139","10.1021/jo051307p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020608","7.633","0.0005","8.8059","0.0015","27.8722","0.0018","90","","90","","90","","1873.4","0.4","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O5 -","- C19 H20 Br N O5 -","- C76 H80 Br4 N4 O20 -","4","1","","Zhiming Zhao; Eileen Duesler; Canhui Wang; Hua Guo; Patrick S. Mariano","Photocyclization Reactions of Cyclohexa- and Cyclopenta-Fused Pyridinium Salts. Factors Governing Regioselectivity","Journal of Organic Chemistry","2005","70","","8508","8512","10.1021/jo051348l","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020639","6.0884","0.0006","10.5868","0.001","26.996","0.003","90","","90","","90","","1740.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O -","- C21 H23 N3 O -","- C84 H92 N12 O4 -","4","1","","Peruncheralathan, S.; Yadav, A. K.; Ila, H.; Junjappa, H.","Highly Regioselective Synthesis of 1-Aryl-3 (or 5)-alkyl/aryl-5 (or 3)-(N-cycloamino)pyrazoles","Journal of Organic Chemistry","2005","70","23","9644","9647","10.1021/jo051478u","","","","","","","","","","","","","","","","","","","","","has coordinates","210953","2020-10-21","18:00:00",""
"4020640","8.4077","0.0012","22.863","0.003","24.921","0.004","90","","90","","90","","4790.4","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H62 O10 Si2 -","- C49 H62 O10 Si2 -","- C196 H248 O40 Si8 -","4","1","","William T. Lambert; Gregory H. Hanson; Farid Benayoud; Steven D. Burke","Halichondrin B: Synthesis of the C1-C22 Subunit","Journal of Organic Chemistry","2005","70","","9382","9398","10.1021/jo051479m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020642","10.1911","0.0017","11.815","0.002","19.571","0.004","90","","90","","90","","2356.6","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N3 -","- C28 H33 N3 -","- C112 H132 N12 -","4","1","","José M. Concellón; Pablo L. Bernad; José Ramón Suárez; Santiago García-Granda; M. Rosario Díaz","Selective Ring-Opening of Nonactivated Amino Aziridines by Thiols and Unusual Nucleophilic Substitution of a Dibenzylamino Group","Journal of Organic Chemistry","2005","70","","9411","9416","10.1021/jo0515069","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020644","9.548","0.005","11.666","0.006","47.61","0.02","90","","90","","90","","5303","4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 F N3 O3 S -","- C24 H40 F N3 O3 S -","- C192 H320 F8 N24 O24 S8 -","8","2","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020645","10.26","0.0008","11.8826","0.0009","20.4519","0.0016","90","","90","","90","","2493.4","0.3","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 F N3 O3 S -","- C23 H38 F N3 O3 S -","- C92 H152 F4 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020647","10.23","0.002","12.844","0.002","20.36","0.003","90","","90","","90","","2675.3","0.8","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H41 N3 O3 S -","- C24 H41 N3 O3 S -","- C96 H164 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020648","7.2802","0.0007","9.3347","0.0008","31.939","0.003","90","","90","","90","","2170.5","0.3","116","2","116","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 F N3 O3 S -","- C20 H30 F N3 O3 S -","- C80 H120 F4 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020650","7.3109","0.0005","15.176","0.0011","20.6948","0.0015","90","","90","","90","","2296.1","0.3","117","2","117","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl N3 O3 S -","- C20 H30 Cl N3 O3 S -","- C80 H120 Cl4 N12 O12 S4 -","4","1","","Wanlong Jiang; Chen Chen; Dragan Marinkovic; Joe A. Tran; Caroline W. Chen; L. Melissa Arellano; Nicole S. White; Fabio C. Tucci","Practical Asymmetric Synthesis of α-Branched 2-Piperazinylbenzylamines by 1,2-Additions of Organometallic Reagents to N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2005","70","","8924","8931","10.1021/jo051514p","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020656","5.497","0.002","9.9352","0.0006","23.478","0.004","90","","90","","90","","1282.2","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Br2 N2 O3 -","- C10 H10 Br2 N2 O3 -","- C40 H40 Br8 N8 O12 -","4","1","","Jignesh Patel; Nadia Pelloux-Léon; Frédéric Minassian; Yannick Vallée","Syntheses of S-Enantiomers of Hanishin, Longamide B, and Longamide B Methyl Ester from L-Aspartic Acid β-Methyl Ester: Establishment of Absolute Stereochemistry","Journal of Organic Chemistry","2005","70","","9081","9084","10.1021/jo051555l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020657","10.3484","0.0003","12.843","0.0004","26.7241","0.0006","90","","90","","90","","3551.75","0.17","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Diferrocenylcyclobutenedione","","","- C24 H18 Fe2 O2 -","- C24 H18 Fe1.9 O2 -","- C192 H144 Fe15.2 O16 -","8","2","","Angelica Aguilar-Aguilar; Annette D. Allen; Eduardo Peña Cabrera; Andrei Fedorov; Nanyan Fu; Huda Henry-Riyad; Jörg Leuninger; Ulrich Schmid; Thomas T. Tidwell; Rishi Verma","Ferrocenylketene and Ferrocenyl-1,2-bisketenes: Direct Observation and Reactivity Measurements","Journal of Organic Chemistry","2005","70","","9556","9561","10.1021/jo0515677","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277842","2022-09-14","20:33:35",""
"4020679","10.354","0.002","11.028","0.002","14.928","0.002","90","","90","","90","","1704.5","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N O3 -","- C18 H29 N O3 -","- C72 H116 N4 O12 -","4","1","","Rajesh Iyengar; Klaas Schildknegt; Martha Morton; Jeffrey Aubé","Revisiting a Classic Approach to the Aspidosperma Alkaloids: An Intramolecular Schmidt Reaction Mediated Synthesis of (+)-Aspidospermidine","Journal of Organic Chemistry","2005","70","","10645","10652","10.1021/jo051212n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020689","9.279","0.004","9.314","0.005","47.04","0.02","90","","90","","90","","4065","3","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O11 S2 -","- C15 H22 O11 S2 -","- C120 H176 O88 S16 -","8","2","","Elizabeth J. Grayson; Sarah J. Ward; Alison L. Hall; Phillip M. Rendle; David P. Gamblin; Andrei S. Batsanov; Benjamin G. Davis","Glycosyl Disulfides: Novel Glycosylating Reagents with Flexible Aglycon Alteration","Journal of Organic Chemistry","2005","70","","9740","9754","10.1021/jo051374j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020707","6.855","0.001","10.497","0.001","20.241","0.003","90","","90","","90","","1456.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Ramón Badorrey; Carlos Cativiela; María D. Díaz-de-Villegas; Roberto Díez; Fabrizio Galbiati; José A. Gálvez","Highly Diastereoselective Cyanation of Methyl Ketimines Obtained from (R)-Glyceraldehyde","Journal of Organic Chemistry","2005","70","","10102","10105","10.1021/jo051592c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020708","9.808","0.002","11.955","0.002","17.065","0.003","90","","90","","90","","2001","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 N2 O5 -","- C18 H30 N2 O5 -","- C72 H120 N8 O20 -","4","1","","Pijus Kumar Mandal; Kumar K. Kaluarachchi; Douglas Ogrin; Simon G. Bott; John S. McMurray","An Efficient Synthesis of the Constrained Peptidomimetic 2-Oxo-3-(N-9-fluorenyloxy-carbonylamino)- 1-azabicyclo[4.3.0]nonane-9-carboxylic Acid from Pyroglutamic Acid","Journal of Organic Chemistry","2005","70","","10128","10131","10.1021/jo0515935","","","","","","","0.0491","","","0.099","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020712","13.0799","0.0011","13.5478","0.001","23.1224","0.0019","90","","90","","90","","4097.4","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 Cu F3 O5 P4 S -","- C37 H56 Cu F3 O5 P4 S -","- C148 H224 Cu4 F12 O20 P16 S4 -","4","1","","Alexandre Côté; André B. Charette","Multicomponent One-Pot Procedure for the Synthesis of Free α-Chiral Amines from Aldehydes","Journal of Organic Chemistry","2005","70","","10864","10867","10.1021/jo0516483","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020724","5.384","0.0005","12.0829","0.0012","17.7316","0.0016","90","","90","","90","","1153.52","0.19","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O6 -","- C11 H14 O6 -","- C44 H56 O24 -","4","1","","N. Nieto; P. Molas; J. Benet-Buchholz; A. Vidal-Ferran","Practical Synthesis of Shi's Diester Fructose Derivative for Catalytic Asymmetric Epoxidation of Alkenes","Journal of Organic Chemistry","2005","70","","10143","10146","10.1021/jo051682h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4020726","8.817","0.002","14.894","0.003","32.741","0.007","90","","90","","90","","4299.6","1.6","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H52 N4 O2 -","- C52 H52 N4 O2 -","- C208 H208 N16 O8 -","4","1","","Jacek Gawroński; Małgorzata Brzostowska; Marcin Kwit; Agnieszka Plutecka; Urszula Rychlewska","Rhombimines-Cyclic Tetraimines of trans-1,2-Diaminocyclohexane Shaped by the Diaryl Ether Structural Motif","Journal of Organic Chemistry","2005","70","","10147","10150","10.1021/jo051687e","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020733","5.0172","0.0003","11.8925","0.0006","24.7383","0.0012","90","","90","","90","","1476.06","0.14","90","2","90","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Huw M. L. Davies; Simon J. Hedley; Brooks R. Bohall","Asymmetric Intermolecular C-H Functionalization of Benzyl Silyl Ethers Mediated by Chiral Auxiliary-Based Aryldiazoacetates and Chiral Dirhodium Catalysts","Journal of Organic Chemistry","2005","70","","10737","10742","10.1021/jo051747g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020734","10.1562","0.0008","10.4485","0.0008","19.7286","0.0015","90","","90","","90","","2093.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O6 S -","- C22 H21 N O6 S -","- C88 H84 N4 O24 S4 -","4","1","","Gui-Ling Zhao; Min Shi","Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters","Journal of Organic Chemistry","2005","70","","9975","9984","10.1021/jo051763d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020749","5.2719","0.0001","8.0229","0.0001","30.5228","0.0003","90","","90","","90","","1290.99","0.03","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 S -","- C13 H16 O3 S -","- C52 H64 O12 S4 -","4","1","","M. Carmen Carreño; M. Jesús Sanz-Cuesta","Conjugate Additions of Me~2~CuLi to Enantiopure γ-Hydroxy-δ-sulfinyl and Sulfonyl Pentenoates","Journal of Organic Chemistry","2005","70","","10036","10045","10.1021/jo051788c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020758","18.9165","0.0002","19.0923","0.0003","26.6298","0.0005","90","","90","","90","","9617.6","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C93 H123 F9 N4 O12.5 -","- C93.1 H93 F9 N4 O12.5 -","- C372.4 H372 F36 N16 O50 -","4","1","","Ulrich Darbost; Xianshun Zeng; Michel Giorgi; Ivan Jabin","Optically Pure Calix[6]tris-ammoniums: Syntheses and Host-Guest Properties toward Neutral Guests","Journal of Organic Chemistry","2005","70","","10552","10560","10.1021/jo051886y","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020765","12.948","0.002","17.7599","0.0004","28.2209","0.0003","90","","90","","90","","6489.7","0.5","273.2","","273.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H52 Cl4 O10 -","- C71 H52 Cl4 O10 -","- C284 H208 Cl16 O40 -","4","1","","Gui Ling Ning; Xin Cheng Li; Megumu Munakata; Wei Tao Gong; Masahiko Maekawa; Tadao Kamikawa","Conversion of Phenyl-Substituted Cyclopentadienes to Pyrylium Cations","Journal of Organic Chemistry","2004","69","","1432","1434","10.1021/jo030243k","","","","","","","","","","","","","","","","","","","","","has coordinates","205842","2020-10-21","18:00:00",""
"4020770","6.656","0.001","14.038","0.003","40.714","0.008","90","","90","","90","","3804.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-dithiodianthranilide","","","- C14 H10 N2 S2 -","- C14 H10 N2 S2 -","- C168 H120 N24 S24 -","12","3","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020772","8.749","0.001","9.771","0.001","18.104","0.002","90","","90","","90","","1547.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-(+)-dianthranilide DMSO 1:1 solvate","","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020776","10.737","0.002","14.931","0.003","18.911","0.004","90","","90","","90","","3031.7","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 N2 O8 -","- C34 H34 N2 O8 -","- C136 H136 N8 O32 -","4","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly","Journal of Organic Chemistry","2004","69","","1248","1255","10.1021/jo035024d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020779","9.0118","0.0009","10.8258","0.0011","16.5929","0.0017","90","","90","","90","","1618.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 Cl O3 -","- C17 H23 Cl O3 -","- C68 H92 Cl4 O12 -","4","1","","Trevor C. McMorris; Michael D. Staake; Michael J. Kelner","Synthesis and Biological Activity of Enantiomers of Antitumor Irofulven","Journal of Organic Chemistry","2004","69","","619","623","10.1021/jo035084j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020787","7.1376","0.0009","7.597","0.001","36.333","0.005","90","0.002","90","0.002","90","0.002","1970.2","0.4","183.2","","183.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N2 O6 -","- C18 H25 N2 O6 -","- C72 H100 N8 O24 -","4","1","","Huaqing Liu; Francis A. Kerdesky; Lawrence A. Black; Michael Fitzgerald; Rodger Henry; Timothy A. Esbenshade; Arthur A. Hancock; Youssef L. Bennani","An Efficient Multigram Synthesis of the Potent Histamine H~3~ Antagonist GT-2331 and the Reassessment of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","192","194","10.1021/jo035264t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020789","7.1557","0.0009","7.5846","0.0009","36.427","0.004","90.005","0.002","90.002","0.002","89.94","0.002","1977","0.4","273.2","","273.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N10 O10 -","- C18 H26 N2 O6 -","- C72 H104 N8 O24 -","4","1","","Huaqing Liu; Francis A. Kerdesky; Lawrence A. Black; Michael Fitzgerald; Rodger Henry; Timothy A. Esbenshade; Arthur A. Hancock; Youssef L. Bennani","An Efficient Multigram Synthesis of the Potent Histamine H~3~ Antagonist GT-2331 and the Reassessment of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","192","194","10.1021/jo035264t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020795","9.6661","0.0006","9.9694","0.0006","21.165","0.0014","90","","90","","90","","2039.6","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Shawn R. Hitchcock; David M. Casper; Jeremy F. Vaughn; Jennifer M. Finefield; Gregory M. Ferrence; Joel M. Esken","Intramolecular Chiral Relay at Stereogenic Nitrogen. Synthesis and Application of a New Chiral Auxiliary Derived from (1R,2S)-Norephedrine and Acetone","Journal of Organic Chemistry","2004","69","","714","718","10.1021/jo035325n","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020799","6.9869","0.0001","10.6937","0.0002","20.5161","0.0005","90","","90","","90","","1532.88","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O7 S -","- C15 H16 O7 S -","- C60 H64 O28 S4 -","4","1","","Nigel A. Swain; Richard C. D. Brown; Gordon Bruton","A Versatile Stereoselective Synthesis of endo,exo-Furofuranones: Application to the Enantioselective Synthesis of Furofuran Lignans","Journal of Organic Chemistry","2004","69","","122","129","10.1021/jo035365r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020806","6.24","0.0002","13.546","0.0004","29.709","0.0009","90","","90","","90","","2511.21","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","trans-4-hydroxy-pipecolate derivative","","","- C22 H30 N2 O8 -","- C22 H30 N2 O8 -","- C88 H120 N8 O32 -","4","1","","J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard","Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor","Journal of Organic Chemistry","2004","69","","130","141","10.1021/jo0353886","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020817","5.585","0.002","15.254","0.006","21.048","0.008","90","","90","","90","","1793.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C72 H92 N4 O24 -","4","1","","Juhienah K. Khalaf; Apurba Datta","An Efficient and Highly Stereocontrolled Route to Bulgecinine hydrochloride.","Journal of Organic Chemistry","2004","69","","387","390","10.1021/jo035441q","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020818","15.952","0.002","18.974","0.001","7.667","0.002","90","","90","","90","","2320.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O4 S -","- C23 H30 N2 O4 S -","- C92 H120 N8 O16 S4 -","4","1","","Hideto Miyabe; Yousuke Yamaoka; Takeaki Naito; Yoshiji Takemoto","Palladium-Indium Iodide-Mediated Allylation and Propargylation of Glyoxylic Oxime Ether and Hydrazone: The Role of Water in Directing the Diastereoselective Allylation","Journal of Organic Chemistry","2004","69","","1415","1418","10.1021/jo035442i","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020823","15.5081","0.0003","21.0872","0.0004","7.0796","0.0001","90","","90","","90","","2315.18","0.08","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O3 -","- C27 H32 O3 -","- C108 H128 O12 -","4","1","","Ken Tsutsumi; Hiroaki Nakano; Akinori Furutani; Katsunori Endou; Abdurshit Merpuge; Takuya Shintani; Tsumoru Morimoto; Kiyomi Kakiuchi","Novel Enhancement of Diastereoselectivity of [2 + 2] Photocycloaddition of Chiral Cyclohexenones to Ethylene by Adding Naphthalenes","Journal of Organic Chemistry","2004","69","","785","789","10.1021/jo0354746","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020824","11.0801","0.0009","20.731","0.002","10.85","0.0009","90","","90","","90","","2492.2","0.4","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 O3 -","- C29 H36 O3 -","- C116 H144 O12 -","4","1","","Ken Tsutsumi; Hiroaki Nakano; Akinori Furutani; Katsunori Endou; Abdurshit Merpuge; Takuya Shintani; Tsumoru Morimoto; Kiyomi Kakiuchi","Novel Enhancement of Diastereoselectivity of [2 + 2] Photocycloaddition of Chiral Cyclohexenones to Ethylene by Adding Naphthalenes","Journal of Organic Chemistry","2004","69","","785","789","10.1021/jo0354746","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020825","6.7469","0.0003","15.7432","0.0008","23.136","0.0012","90","","90","","90","","2457.5","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Cl N2 O4 -","- C27 H27 Cl N2 O4 -","- C108 H108 Cl4 N8 O16 -","4","1","","James R. Burgeson; Matthew K. Renner; Ingo Hardt; Gregory M. Ferrence; Jean M. Standard; Shawn R. Hitchcock","Toward the Development of a Structurally Novel Class of Chiral Auxiliaries. Conformational Properties of the Aldol Adducts of Oxadiazinones: Observation of Unusual Shielding Effects","Journal of Organic Chemistry","2004","69","","727","734","10.1021/jo035481u","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4020826","8.6202","0.0004","10.0407","0.0005","18.1422","0.0009","90","","90","","90","","1570.26","0.13","198","2","198","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","1","","Stéphane Trudeau; Pierre Deslongchamps","Novel Synthesis of Highly Functionalized 14-β-Hydroxysteroids Related to Batrachotoxin and Ouabain","Journal of Organic Chemistry","2004","69","","832","838","10.1021/jo0355606","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020842","7.871","0.002","10.716","0.003","20.54","0.004","90","","90","","90","","1732.5","0.7","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1S,3R,4S,8S,9R)-9-bromo-cinchonane","","","- C19 H21 Br N2 -","- C19 H21 Br N2 -","- C76 H84 Br4 N8 -","4","1","","M. Heiko Franz; Stefanie Röper; Rudolf Wartchow; H. M. R. Hoffmann","The First and Second Cinchona Rearrangement. Two Fundamental Transformations of Alkaloid Chemistry","Journal of Organic Chemistry","2004","69","","2983","2991","10.1021/jo030363s","","","","","","","","","","","","","","","","","","","","","has coordinates","208202","2020-10-21","18:00:00",""
"4020843","8.641","0.002","10.306","0.002","17.176","0.003","90","","90","","90","","1529.6","0.5","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","E-Cinchene","","","- C19 H20 N2 -","- C19 H20 N2 -","- C76 H80 N8 -","4","1","","M. Heiko Franz; Stefanie Röper; Rudolf Wartchow; H. M. R. Hoffmann","The First and Second Cinchona Rearrangement. Two Fundamental Transformations of Alkaloid Chemistry","Journal of Organic Chemistry","2004","69","","2983","2991","10.1021/jo030363s","","","","","","","","","","","","","","","","","","","","","has coordinates","208202","2020-10-21","18:00:00",""
"4020848","11.244","0.002","17.11","0.003","21.395","0.004","90","","90","","90","","4116.2","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H48 B N O7 S -","- C46 H48 B N O7 S -","- C184 H192 B4 N4 O28 S4 -","4","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020850","13.8","0.003","16.271","0.003","19.707","0.004","90","","90","","90","","4424.8","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H50 B N O9 S -","- C48 H50 B N O9 S -","- C192 H200 B4 N4 O36 S4 -","4","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020851","13.922","0.003","16.261","0.003","20.062","0.004","90","","90","","90","","4541.6","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H54 B N O9 S -","- C51 H54 B N O9 S -","- C204 H216 B4 N4 O36 S4 -","4","1","","Ho-Kee Yim; Henry N. C. Wong","Diastereoselective Addition Reactions of Furyl Sulfonylimine Using Chiral Boronates as Auxiliary: Application to the Enantioselective Synthesis of 2,3-Disubstituted Furyl Sulfonylamides","Journal of Organic Chemistry","2004","69","","2892","2895","10.1021/jo030385e","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020870","13.217","0.004","15.6","0.004","10.223","0.003","90","","90","","90","","2108","1","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O S3 -","- C22 H28 O S3 -","- C88 H112 O4 S12 -","4","1","","Hideaki Oshida; Akihiko Ishii; Juzo Nakayama","Oxidation of cis- and trans-3,5-Di-tert-butyl-3,5-diphenyl- 1,2,4-trithiolanes: Isolation and Properties of the 1-Oxides and the 1,2-Dioxides","Journal of Organic Chemistry","2004","69","","1695","1703","10.1021/jo0354591","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020875","5.986","0.004","10.321","0.005","19.807","0.007","90","","90","","90","","1223.7","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N O5 -","- C11 H17 N O5 -","- C44 H68 N4 O20 -","4","1","","François-Xavier Felpin; Kamal Boubekeur; Jacques Lebreton","First Total Synthesis of 1-O-β-D-Glucopyranosyl-5-deoxyadenophorine and Its Aglycon Congener: Determination of the Absolute Configuration","Journal of Organic Chemistry","2004","69","","1497","1503","10.1021/jo035522m","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4020901","20.228","0.003","24.777","0.006","5.007","0.002","90.02","0.03","90","0.02","90.02","0.02","2509","1","298.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 F2 N2 O3 -","- C25 H30 F2 N2 O3 -","- C100 H120 F8 N8 O12 -","4","1","","Akira Otaka; Junko Watanabe; Akira Yukimasa; Yoshikazu Sasaki; Hideaki Watanabe; Takayoshi Kinoshita; Shinya Oishi; Hirokazu Tamamura; Nobutaka Fujii","SmI~2~-Mediated Reduction of γ,γ-Difluoro-α,β-enoates with Application to the Synthesis of Functionalized (Z)-Fluoroalkene-Type Dipeptide Isosteres","Journal of Organic Chemistry","2004","69","","1634","1645","10.1021/jo035709d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020904","10.4657","0.0005","10.8886","0.0006","12.9242","0.0007","90","","90","","90","","1472.8","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Waldemar Adam; Sara G. Bosio; Nicholas J. Turro; Barbara T. Wolff","Enecarbamates as Selective Substrates in Oxidations: Chiral-Auxiliary-Controlled Mode Selectivity and Diastereoselectivity in the [2+2] Cycloaddition and Ene Reaction of Singlet Oxygen and in the Epoxidation by DMD and mCPBA","Journal of Organic Chemistry","2004","69","","1704","1715","10.1021/jo035745c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020905","8.264","0.0007","11.829","0.001","12.102","0.001","90","","90","","90","","1183","0.2","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Yoshiaki Nishibayashi; Masato Yoshikawa; Youichi Inada; Masanobu Hidai; Sakae Uemura","Ruthenium-Catalyzed Cycloaddition between Propargylic Alcohols and Cyclic 1,3-Dicarbonyl Compounds via an Allenylidene Intermediate","Journal of Organic Chemistry","2004","69","","3408","3412","10.1021/jo0357465","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020907","5.232","0.003","9.09","0.004","32.408","0.016","90","","90","","90","","1541.4","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N O5 S -","- C12 H23 N O5 S -","- C48 H92 N4 O20 S4 -","4","1","","T. Govindaraju; Vaijayanti A. Kumar; Krishna N. Ganesh","Synthesis and Evaluation of (1S,2R/1R,2S)-Aminocyclohexylglycyl PNAs as Conformationally Preorganized PNA Analogues for DNA/RNA Recognition","Journal of Organic Chemistry","2004","69","","1858","1865","10.1021/jo035747x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020908","5.2293","0.0006","9.0539","0.001","32.279","0.004","90","","90","","90","","1528.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N O5 S -","- C12 H23 N O5 S -","- C48 H92 N4 O20 S4 -","4","1","","T. Govindaraju; Vaijayanti A. Kumar; Krishna N. Ganesh","Synthesis and Evaluation of (1S,2R/1R,2S)-Aminocyclohexylglycyl PNAs as Conformationally Preorganized PNA Analogues for DNA/RNA Recognition","Journal of Organic Chemistry","2004","69","","1858","1865","10.1021/jo035747x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020918","7.409","0.001","14.055","0.003","19.276","0.004","90","","90","","90","","2007.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O6 S -","- C19 H24 N2 O6 S -","- C76 H96 N8 O24 S4 -","4","1","","Iwona Kudyba; Jerzy Raczko; Janusz Jurczak","Asymmetric Nitroaldol Reaction. Synthesis of Taxotere Side Chain and (-)-Bestatin Using (1R)-8-Phenylmenthyl Glyoxylate","Journal of Organic Chemistry","2004","69","","2844","2850","10.1021/jo0358269","","","","","","","0.0485","","","0.1105","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4020919","10.363","0.002","14.057","0.003","15.488","0.003","90","","90","","90","","2256.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Iwona Kudyba; Jerzy Raczko; Janusz Jurczak","Asymmetric Nitroaldol Reaction. Synthesis of Taxotere Side Chain and (-)-Bestatin Using (1R)-8-Phenylmenthyl Glyoxylate","Journal of Organic Chemistry","2004","69","","2844","2850","10.1021/jo0358269","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020963","7.65","0.003","8.493","0.003","14.207","0.005","90","","90","","90","","923.1","0.6","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 N O2 -","- C9 H17 N O2 -","- C36 H68 N4 O8 -","4","1","","Gavin O'Mahony; Mark Nieuwenhuyzen; Paul Armstrong; Paul J. Stevenson","Rapid Stereoselective Access to Key Pumiliotoxin Precursors from a Common Intermediate","Journal of Organic Chemistry","2004","69","","3968","3971","10.1021/jo0497205","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020964","6.474","0.0015","13.389","0.003","19.734","0.005","90","","90","","90","","1710.6","0.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C72 H104 N8 O16 -","8","2","","Gavin O'Mahony; Mark Nieuwenhuyzen; Paul Armstrong; Paul J. Stevenson","Rapid Stereoselective Access to Key Pumiliotoxin Precursors from a Common Intermediate","Journal of Organic Chemistry","2004","69","","3968","3971","10.1021/jo0497205","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020966","9.1528","0.0008","9.9689","0.001","20.8724","0.0018","90","","90","","90","","1904.5","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O4 S -","- C20 H19 N3 O4 S -","- C80 H76 N12 O16 S4 -","4","1","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020967","9.248","0.002","20.491","0.003","21.708","0.004","90","","90","","90","","4113.7","1.4","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C168 H176 N16 O32 S8 -","8","2","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020968","8.509","0.0007","11.593","0.0008","20.2321","0.0013","90","","90","","90","","1995.8","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Rosa L. Meza-León; David Crich; Sylvain Bernès; Leticia Quintero","Endo-Selective Quenching of Hexahydropyrrolo[2,3-b]indole-Based N-Acyliminium Ions","Journal of Organic Chemistry","2004","69","","3976","3978","10.1021/jo049757p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020973","7.667","0.001","11.555","0.002","22.671","0.004","90","","90","","90","","2008.5","0.6","150","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O10 -","- C18 H25 N O10 -","- C72 H100 N4 O40 -","4","1","","Andrew S. Davis; Stephen G. Pyne; Brian W. Skelton; Allan H. White","Synthesis of Putative Uniflorine A","Journal of Organic Chemistry","2004","69","","3139","3143","10.1021/jo049806y","","","","","","","","","","","","","","","","","","","","","has coordinates","208202","2020-10-21","18:00:00",""
"4020974","5.522","0.007","10.7","0.009","21.818","0.003","90","","90","","90","","1289","2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O S -","- C16 H12 O S -","- C64 H48 O4 S4 -","4","1","","Daniele Casarini; Lodovico Lunazzi; Andrea Mazzanti; Pierluigi Mercandelli; Angelo Sironi","Conformational Studies by Dynamic NMR. 99.^1^ Experimental and Computed Determination of Rotation Barriers in the Crystalline State: The Case of Naphthylphenylsulfoxide","Journal of Organic Chemistry","2004","69","","3574","3577","10.1021/jo049843p","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4020997","5.681","0.005","8.355","0.003","28.935","0.013","90","","90","","90","","1373","1","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N O3 -","- C15 H18 N O3 -","- C60 H72 N4 O12 -","4","1","","Olivier David; Sandrine Calvet; François Chau; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet","Novel Routes to Chiral 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines","Journal of Organic Chemistry","2004","69","","2888","2891","10.1021/jo049961c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021003","8.105","0.004","8.729","0.002","37.158","0.012","90","","90","","90","","2628.9","1.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O4 P2 -","- C30 H32 O4 P2 -","- C120 H128 O16 P8 -","4","1","","Tanasri Bunlaksananusorn; Paul Knochel","t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes: A Novel Synthesis of Chiral P,N- and P,P-Ligands","Journal of Organic Chemistry","2004","69","","4595","4601","10.1021/jo030383u","","","","","","","0.042","","","0.1061","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021004","6.5307","0.0007","14.195","0.002","22.832","0.003","90","","90","","90","","2116.7","0.4","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Mikkel Fog Jakobsen; Liviu Ionita; Troels Skrydstrup","Highly Diastereoselective Mannich-Type Reactions of Chiral N-Acylhydrazones","Journal of Organic Chemistry","2004","69","","4792","4796","10.1021/jo0358170","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021020","7.5579","0.0014","9.8711","0.0012","21.1313","0.0017","90","","90","","90","","1576.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","1","","Catherine Gaulon; Robert Dhal; Teddy Chapin; Vincent Maisonneuve; Gilles Dujardin","N-Vinyl-2-oxazolidinones: Efficient Chiral Dienophiles for the [4 + 2]-Based de Novo Synthesis of New N-2-Deoxyglycosides","Journal of Organic Chemistry","2004","69","","4192","4202","10.1021/jo040102y","","","","","","","","","","","","","","","","","","","","","has coordinates","277842","2022-09-14","20:33:35",""
"4021038","6.28","0.001","10.367","0.002","24.434","0.005","90","","90","","90","","1590.8","0.5","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O3 Se -","- C16 H22 O3 Se -","- C64 H88 O12 Se4 -","4","1","","Dan Yang; Qiang Gao; Bao-Fu Zheng; Nian-Yong Zhu","Et~2~AlCl-Promoted Asymmetric Phenylseleno Group Transfer Radical Cyclization Reactions of Unsaturated β-Hydroxy Esters","Journal of Organic Chemistry","2004","69","","8821","8828","10.1021/jo048322z","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021041","6.1515","0.0005","13.5741","0.0012","19.044","0.002","90","","90","","90","","1590.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O7 -","- C17 H16 O7 -","- C68 H64 O28 -","4","1","","Roland Messer; Andrea Schmitz; Luzia Moesch; Robert Häner","Elaboration of D-(-)-Ribose into a Tricyclic, Natural Product-like Scaffold","Journal of Organic Chemistry","2004","69","","8558","8560","10.1021/jo048351+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021042","4.8763","0.0004","12.906","0.0015","27.491","0.002","90","","90","","90","","1730.1","0.3","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O7 -","- C17 H24 O7 -","- C68 H96 O28 -","4","1","","Roland Messer; Andrea Schmitz; Luzia Moesch; Robert Häner","Elaboration of D-(-)-Ribose into a Tricyclic, Natural Product-like Scaffold","Journal of Organic Chemistry","2004","69","","8558","8560","10.1021/jo048351+","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:58",""
"4021049","13.964","0.003","14.014","0.003","21.067","0.004","90","","90","","90","","4122.6","1.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H64 N6 O11 -","- C36 H64 N6 O11 -","- C144 H256 N24 O44 -","4","1","","Danielle Skropeta; Katrina A. Jolliffe; Peter Turner","Pseudoprolines as Removable Turn Inducers: Tools for the Cyclization of Small Peptides","Journal of Organic Chemistry","2004","69","","8804","8809","10.1021/jo0484732","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021058","5.5474","0.001","16.996","0.002","18.256","0.003","90","","90","","90","","1721.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","","Pushpal Bhaket; Christina S. Stauffer; Apurba Datta","Complex Peptidyl Nucleoside Antibiotics: Efficient Syntheses of the Glycosyl Nucleoside Amino Acid Cores","Journal of Organic Chemistry","2004","69","","8594","8601","10.1021/jo048586l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021072","8.931","0.002","9.599","0.001","28.08","0.009","90","","90","","90","","2407.3","1","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C108 H120 N8 O16 -","4","1","","Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan","Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids","The Journal of Organic Chemistry","2004","69","25","8681","8693","10.1021/jo0487101","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277840","2022-09-14","18:33:58",""
"4021079","9.9182","0.0011","17.1284","0.0019","19.558","0.002","90","","90","","90","","3322.6","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H41 N O4 Si -","- C37 H41 N O4 Si -","- C148 H164 N4 O16 Si4 -","4","1","","Tahar Ayad; Vanessa Faugeroux; Yves Génisson; Chantal André; Michel Baltas; Liliane Gorrichon","Stereoselective Access to the Versatile 4-Aminohex-5-ene-1,2,3-triol Pattern","Journal of Organic Chemistry","2004","69","","8775","8779","10.1021/jo048766v","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021081","9.0346","0.0015","15.629","0.003","19.666","0.004","90","","90","","90","","2776.8","0.8","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 Br2 Ni P2 -","- C29 H28 Br2 Ni P2 -","- C116 H112 Br8 Ni4 P8 -","4","1","","Gary A. Molander; Jason P. Burke; Patrick J. Carroll","Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation","Journal of Organic Chemistry","2004","69","","8062","8069","10.1021/jo048782s","","","","","","","0.0444","","","0.0865","","","","","","","","","","","has coordinates,has disorder","178388","2020-10-21","18:00:00",""
"4021100","5.546","0.002","9.811","0.004","26.178","0.01","90","","90","","90","","1424.2","0.9","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O5 -","- C14 H22 O5 -","- C56 H88 O20 -","4","1","","Douglass F. Taber; Yongchun Pan; Xia Zhao","A Flexible Enantioselective Synthesis of the Isofurans","Journal of Organic Chemistry","2004","69","","7234","7240","10.1021/jo048863o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021105","8.5785","0.0008","14.193","0.003","19.42","0.003","90","","90","","90","","2364.4","0.7","298","2","298","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 -","- C32 H30 -","- C128 H120 -","4","1","","Gon-Ann Lee; Chih-Yi Chang","Novel Ene Trimerization of 1-Phenylcyclopropene","Journal of Organic Chemistry","2004","69","","8949","8951","10.1021/jo048889f","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021112","7.062","0.001","12.245","0.002","13.548","0.002","90","","90","","90","","1171.6","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C48 H64 N8 O20 -","4","1","","Leo A. Paquette; Christopher K. Seekamp; Alexandra L. Kahane; David G. Hilmey; Judith Gallucci","Stereochemical Features of Lewis Acid-Promoted Glycosidations Involving 4'-Spiroannulated DNA Building Blocks","Journal of Organic Chemistry","2004","69","","7442","7447","10.1021/jo048904g","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021118","11.139","0.003","19.073","0.001","7.848","0.001","90","","90","","90","","1667.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O7 S -","- C15 H16 N2 O7 S -","- C60 H64 N8 O28 S4 -","4","1","","Veejendra K. Yadav; Govindaraji Senthil; Latika Singh; Masood Parvez","On the Reaction of 1-Oxa-4-thiaspiro[4.5]decan-7-one with PhLi. A Reinvestigation","Journal of Organic Chemistry","2004","69","","8131","8132","10.1021/jo0489364","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021121","11.21","0.002","13.483","0.003","16.459","0.003","90","","90","","90","","2487.6","0.9","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 N O6 Si -","- C22 H37 N O6 Si -","- C88 H148 N4 O24 Si4 -","4","1","","Vladimir O. Smirnov; Sema L. Ioffe; Alexander A. Tishkov; Yulia A. Khomutova; Ivan D. Nesterov; Michael Yu. Antipin; William A. Smit; Vladimir A. Tartakovsky","New C-C Coupling Reaction of Cyclic Nitronates with Carbon Nucleophiles. Umpolung of the Conventional Reactivity of Nitronates","Journal of Organic Chemistry","2004","69","","8485","8488","10.1021/jo048944k","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021132","9.4343","0.0004","16.7187","0.0007","19.8233","0.0009","90","","90","","90","","3126.7","0.2","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 S -","- C20 H22 S -","- C160 H176 S8 -","8","2","","Antonella Converso; Pierre-Loïc Saaidi; K. Barry Sharpless; M. G. Finn","Nucleophilic Substitution by Grignard Reagents on Sulfur Mustards","Journal of Organic Chemistry","2004","69","","7336","7339","10.1021/jo0489869","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021138","10.0638","0.0009","11.7036","0.001","28.824","0.003","90","","90","","90","","3395","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Br2 O7 -","- C15 H15 Br2 O7 -","- C120 H120 Br16 O56 -","8","2","","Phillip M. Pelphrey; Khalil A. Abboud; Dennis L. Wright","New Chiral Building Blocks from Tetrabromocyclopropene and Furan","Journal of Organic Chemistry","2004","69","","6931","6933","10.1021/jo048991c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021140","6.851","0.002","12.26","0.002","25.615","0.004","90","","90","","90","","2151.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl O7 S -","- C19 H23 Cl O7 S -","- C76 H92 Cl4 O28 S4 -","4","1","","M. Teresa Barros; Anthony J. Burke; Ji-Dong Lou; Christopher D. Maycock; Jorge R. Wahnon","Highly Stereoselective Aldol Reaction for the Synthesis of γ-Lactones Starting from Tartaric Acid","Journal of Organic Chemistry","2004","69","","7847","7850","10.1021/jo049027h","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021144","5.7353","0.0001","9.2941","0.0001","34.062","0.0005","90","","90","","90","","1815.66","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O10 -","- C15 H22 O10 -","- C60 H88 O40 -","4","1","","Julien Beignet; James Tiernan; Chang H. Woo; Benson M. Kariuki; Liam R. Cox","Stereoselective Synthesis of Allyl-C-mannosyl Compounds: Use of a Temporary Silicon Connection in Intramolecular Allylation Strategies with Allylsilanes","Journal of Organic Chemistry","2004","69","","6341","6356","10.1021/jo049061w","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021180","4.996","0.0002","14.473","0.0007","16.455","0.0008","90","","90","","90","","1189.81","0.09","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H11 N -","- C18 H11 N -","- C72 H44 N4 -","4","1","","Srinivasan Selvi; Shih-Chieh Pu; Yi-Ming Cheng; Jim-Min Fang; Pi-Tai Chou","Highly Fluorescent Pyreno[2,1-b]pyrroles: First Syntheses, Crystal Structure, and Intriguing Photophysical Properties","Journal of Organic Chemistry","2004","69","","6674","6678","10.1021/jo049192x","","","","","","","0.0748","","","0.1487","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021182","10.6243","0.0001","16.1488","0.0002","23.9876","0.0004","90","","90","","90","","4115.55","0.09","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H43 Cl N3 P Pd -","- C51 H43 Cl N3 P Pd -","- C204 H172 Cl4 N12 P4 Pd4 -","4","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021183","13.2921","0.0001","14.3043","0.0002","21.8897","0.0002","90","","90","","90","","4161.98","0.08","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H45 Cl N3 P Pd -","- C48 H45 Cl N3 P Pd -","- C192 H180 Cl4 N12 P4 Pd4 -","4","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021184","13.207","0.0007","13.9716","0.0008","25.6685","0.0014","90","","90","","90","","4736.4","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H39 Cl6 F6 N3 P2 Pd -","- C46 H39 Cl6 F6 N3 P2 Pd -","- C184 H156 Cl24 F24 N12 P8 Pd4 -","4","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021185","11.4972","0.0001","15.6101","0.0001","21.7615","0.0002","90","","90","","90","","3905.59","0.06","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H39.4 F6 N3 O0.2 P2 Pd -","- C45 H39 F5.96 N3 O0.2 P2 Pd -","- C180 H156 F23.84 N12 O0.8 P8 Pd4 -","4","1","","David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry","Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration","Journal of Organic Chemistry","2004","69","","6572","6589","10.1021/jo049195+","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021190","7.5253","0.0007","9.0591","0.0013","20.415","0.003","90","","90","","90","","1391.8","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N3 S -","- C14 H17 N3 S -","- C56 H68 N12 S4 -","4","1","","Christopher R. Moylan; Brian J. McNelis; Lawrence C. Nathan; Michael A. Marques; Eric L. Hermstad; Benjamin A. Brichler","Challenging the Auxiliary Donor Effect on Molecular Hyperpolarizability in Thiophene-Containing Nonlinear Chromophores: X-ray Crystallographic and Optical Measurements on Two New Isomeric Chromophores","Journal of Organic Chemistry","2004","69","","8239","8243","10.1021/jo049230c","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021217","10.641","0.003","18.805","0.005","34.692","0.009","90","","90","","90","","6942","3","150.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73.5 H66.5 Cl8.5 N2 O2.5 P2 Pd2 -","- C73.97 H66.5 Cl8.5 N2 O2.5 P2 Pd2 -","- C295.88 H266 Cl34 N8 O10 P8 Pd8 -","4","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021219","11.253","0.002","14.021","0.002","22.776","0.003","90","","90","","90","","3593.8","0.9","173.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H33 Cl5 N O P Pt -","- C37 H33 Cl5 N O P Pt -","- C148 H132 Cl20 N4 O4 P4 Pt4 -","4","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021220","30.16","0.001","14.1","0.0004","17.32","0.0005","90","","90","","90","","7365.4","0.4","173.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl2 N O4 P Pd -","- C39 H32 Cl2 N O3.5 P Pd -","- C312 H256 Cl16 N8 O28 P8 Pd8 -","8","2","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021222","12.785","0.003","14.625","0.004","19.215","0.005","90","","90","","90","","3593","1","173.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H35 Cl5 N O P Pd -","- C39 H35 Cl5 N O P Pd -","- C156 H140 Cl20 N4 O4 P4 Pd4 -","4","1","","Hiroto Nakano; Kouichi Takahashi; Yuko Okuyama; Chieko Senoo; Natsumi Tsugawa; Yuichiro Suzuki; Reiko Fujita; Kazuo Sasaki; Chizuko Kabuto","Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions","Journal of Organic Chemistry","2004","69","","7092","7100","10.1021/jo049375j","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021229","12.374","0.003","23.286","0.002","7.684","0.002","90","","90","","90","","2214.3","0.7","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Fe N O -","- C26 H27 Fe N O -","- C104 H108 Fe4 N4 O4 -","4","1","","Shin-ichi Fukuzawa; Daisuke Wachi; Takashi Suzuki; Satoshi Itoh","Regioselective Aminolysis and Hydrolysis of Chiral 1,4-Ferrocenyl Diacetate","Journal of Organic Chemistry","2004","69","","4991","4996","10.1021/jo049386c","","","","","","","","","","","","","","","","","","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4021233","10.015","0.002","14.07","0.002","17.975","0.003","90","","90","","90","","2532.8","0.7","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Si2 -","- C30 H28 Si2 -","- C120 H112 Si8 -","4","1","","Keigo Suzuki; Yusuke Kawakami; Devadasan Velmurugan; Takashi Yamane","Stereoselective Synthesis of Optically Active Disilanes and Selective Functionalization by the Cleavage of Silicon-Naphthyl Bonds with Bromine","Journal of Organic Chemistry","2004","69","","5383","5389","10.1021/jo049398y","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021236","12.448","0.005","22.616","0.005","8.839","0.002","90","","90","","90","","2488.5","0.1","298.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N2 O3 P -","- C26 H29 N2 O3 P -","- C104 H116 N8 O12 P4 -","4","1","","Yoshinori Kohmura; Toshiaki Mase","A Highly Stereoselective Synthesis of Optically Active Trisubstituted 1,2-Ethylenediamines: The First Example of Grignard Addition to N-Diphenylphosphinoyl Ketimines Derived from Amino Acids","Journal of Organic Chemistry","2004","69","","6329","6334","10.1021/jo049405i","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021238","6.45","0.002","18.538","0.007","20.6","0.008","90","","90","","90","","2463.1","1.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N2 O6 S -","- C28 H28 N2 O6 S -","- C112 H112 N8 O24 S4 -","4","1","","Alisher B. Khasanov; Michele M. Ramirez-Weinhouse; Thomas R. Webb; Mohan Thiruvazhi","Novel Asymmetric Approach to Proline-Derived Spiro-β-lactams","Journal of Organic Chemistry","2004","69","","5766","5769","10.1021/jo049430o","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021248","6.0831","0.0002","11.3917","0.0005","20.053","0.001","90","","90","","90","","1389.6","0.1","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N5 O2 -","- C13 H16 N5 O2 -","- C52 H64 N20 O8 -","4","1","","Paul R. Serwinski; Burak Esat; Paul M. Lahti; Yi Liao; Richard Walton; Jiang Lan","Photolysis and Oxidation of Azidophenyl-Substituted Radicals: Delocalization in Heteroatom-Based Radicals","Journal of Organic Chemistry","2004","69","","5247","5260","10.1021/jo049500r","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021259","10.6008","0.0007","17.7561","0.0012","22.3322","0.0015","90","","90","","90","","4203.6","0.5","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41.8 H30.8 Cl5.4 F3 N4 Ni O6 -","- C41.8 H30.8 Cl5.4 F3 N4 Ni O6 -","- C167.2 H123.2 Cl21.6 F12 N16 Ni4 O24 -","4","1","","Vadim A. Soloshonok; Hisanori Ueki; Rohit Tiwari; Chaozhong Cai; Victor J. Hruby","Virtually Complete Control of Simple and Face Diastereoselectivity in the Michael Addition Reactions between Achiral Equivalents of a Nucleophilic Glycine and (S)- or (R)-3-(E-Enoyl)-4-phenyl-1,3-oxazolidin-2-ones: Practical Method for Preparation of β-Substituted Pyroglutamic Acids and Prolines","Journal of Organic Chemistry","2004","69","","4984","4990","10.1021/jo0495438","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021260","13.416","0.003","14.882","0.003","16.949","0.003","90","","90","","90","","3384.1","1.1","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 Cl2 N4 Ni O8 -","- C36 H34 Cl2 N4 Ni O8 -","- C144 H136 Cl8 N16 Ni4 O32 -","4","1","","Vadim A. Soloshonok; Hisanori Ueki; Rohit Tiwari; Chaozhong Cai; Victor J. Hruby","Virtually Complete Control of Simple and Face Diastereoselectivity in the Michael Addition Reactions between Achiral Equivalents of a Nucleophilic Glycine and (S)- or (R)-3-(E-Enoyl)-4-phenyl-1,3-oxazolidin-2-ones: Practical Method for Preparation of β-Substituted Pyroglutamic Acids and Prolines","Journal of Organic Chemistry","2004","69","","4984","4990","10.1021/jo0495438","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4021275","9.237","0.002","25.003","0.006","6.24","0.002","90","","90","","90","","1441.2","0.6","295.2","","295.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 S -","- C14.98 H19 O2 S -","- C59.92 H76 O8 S4 -","4","1","","Wendy A. Loughlin; Catherine C. Rowen; Peter C. Healy","Probing the Formation of Bicyclo[4.2.0]octan-1-ols","Journal of Organic Chemistry","2004","69","","5690","5698","10.1021/jo049576n","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021290","9.051","0.003","10.214","0.003","14.481","0.004","90","","90","","90","","1338.8","0.6","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N3 -","- C14 H19 N3 -","- C56 H76 N12 -","4","1","","Mark J. Mulvihill; Cara Cesario; Vanessa Smith; Patricia Beck; Anthony Nigro","Regio- and Stereospecific Syntheses of syn- and anti-1,2-Imidazolylpropylamines from the Reaction of 1,1'-Carbonyldiimidazole with syn- and anti-1,2-Amino Alcohols","Journal of Organic Chemistry","2004","69","","5124","5127","10.1021/jo049677l","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021292","10.673","0.0005","10.9928","0.0007","12.8104","0.0009","90","","90","","90","","1503","0.2","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C68 H80 N8 -","4","1","","Tomoo Hayamizu; Hajime Maeda; Kazuhiko Mizuno","Diastereoselective Protonation on Radical Anions of Electron-Deficient Alkenes via Photoinduced Electron Transfer","Journal of Organic Chemistry","2004","69","","4997","5004","10.1021/jo0496953","","","","","","","","","","","","","","","","","","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021298","12.7667","0.0011","13.2331","0.001","14.2089","0.0011","90","","90","","90","","2400.5","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O6 S2 -","- C22.016 H28 N2 O6 S2.004 -","- C88.064 H112 N8 O24 S8.016 -","4","1","","Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch","New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam","Journal of Organic Chemistry","2004","69","","4227","4237","10.1021/jo049706s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021306","13.6695","0.0008","14.6107","0.0009","22.7212","0.0014","90","","90","","90","","4537.9","0.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O -","- C15 H13 N O -","- C240 H208 N16 O16 -","16","4","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021311","12.228","0.001","13.924","0.001","14.838","0.002","90","","90","","90","","2526.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","","Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang","Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.","Journal of Organic Chemistry","2004","69","","4500","4508","10.1021/jo049716t","","","","","","","0.0555","","","0.103","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021324","10.9195","0.0014","14.258","0.0018","19.034","0.002","90","","90","","90","","2963.4","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H45 B O4 -","- C32 H45 B O4 -","- C128 H180 B4 O16 -","4","1","","Jason W. J. Kennedy; Dennis G. Hall","Lewis Acid Catalyzed Allylboration: Discovery, Optimization, and Application to the Formation of Stereogenic Quaternary Carbon Centers","Journal of Organic Chemistry","2004","69","","4412","4428","10.1021/jo049773m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4021327","10.0541","0.0008","11.0212","0.0009","11.2992","0.0009","90","","90","","90","","1252.04","0.17","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Br O2 -","- C13 H13 Br O2 -","- C52 H52 Br4 O8 -","4","1","","Jason W. J. Kennedy; Dennis G. Hall","Lewis Acid Catalyzed Allylboration: Discovery, Optimization, and Application to the Formation of Stereogenic Quaternary Carbon Centers","Journal of Organic Chemistry","2004","69","","4412","4428","10.1021/jo049773m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021336","4.8338","0.0009","11.587","0.002","25.819","0.005","90","","90","","90","","1446.1","0.5","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N3 O -","- C16 H14 Cl N3 O -","- C64 H56 Cl4 N12 O4 -","4","1","","Alan R. Katritzky; Kavita Manju; Anna V. Gromova; Peter J. Steel","β-Acylvinyl Anion and Dianion Equivalents: Lithiation of 1-[(2EZ)-3-Chloroprop-2-enyl]-1H-1,2,3-benzotriazole: Preparation and Elaboration of 1-(2-Oxiranylvinyl)-1H-benzotriazoles","Journal of Organic Chemistry","2004","69","","6018","6023","10.1021/jo049818j","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021397","6.441","0.0004","17.186","0.0013","18.27","0.002","90","","90","","90","","2022.4","0.3","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-ethylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C18 H26 N O2 P S -","- C18 H26 N O2 P S -","- C72 H104 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.054","","","","0.06","","","","","","0.948","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021398","6.276","0.0013","13.692","0.003","23.935","0.009","90","","90","","90","","2056.8","1","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-isopropylphenyl)ethylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C19 H28 N O2 P S -","- C20 H30 N O2 P S -","- C80 H120 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.058","","","","0.094","","","","","","0.836","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021399","6.34","","17.728","","18.437","","90","","90","","90","","2072.24","","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-npronylphenyl)ethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C22 H28 N O2 P S -","- C19 H28 N O2 P S -","- C76 H112 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.059","","","","0.089","","","","","","0.875","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021401","6.771","0.0002","14.155","0.0006","20.307","0.0012","90","","90","","90","","1946.3","0.2","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-1-Naphthylethylammonium_(Sp)-O-ethyl phenylphosphonothioate","","","- C20 H24 N O2 P S -","- C20 H24 N O2 P S -","- C80 H96 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.05","","","","0.073","","","","","","0.71","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021402","7.517","0.0003","12.015","0.0007","21.89","0.002","90","","90","","90","","1977","0.2","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(S)-1-phenyl-2-methyl-propylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C18 H26 N O2 P S -","- C18 H26 N O2 P S -","- C72 H104 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.057","","","","0.078","","","","","","0.763","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021403","6.577","0.0005","14.56","0.0012","16.131","0.002","90","","90","","90","","1544.7","0.2","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(R)-sec-butylammonium_(Rp)-O-ethyl phenylphosphonothioate","","","- C12 H22 N O2 P S -","- C12 H22 N O2 P S -","- C48 H88 N4 O8 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.057","","","","0.083","","","","","","0.788","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021404","6.326","0.0005","15.311","0.002","24.416","0.003","90","","90","","90","","2364.9","0.4","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Rp)-O-ethyl phenylphosphonothioic acid & (1S,2R)-1-amino-1,2-diphenylethanol(ADPE)&H2O","","","- C22 H28 N O4 P S -","- C22 H28 N O4 P S -","- C88 H112 N4 O16 P4 S4 -","4","1","","Yuka Kobayashi; Fumi Morisawa; Kazuhiko Saigo","Enantiopure O-Substituted Phenylphosphonothioic Acids: Chiral Recognition Ability during Salt Crystallization and Chiral Recognition Mechanism","Journal of Organic Chemistry","2006","71","","606","615","10.1021/jo052020v","","","0.7107","MoK\/Ya","","","0.049","","","","0.054","","","","","","0.864","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021435","9.636","0.002","16.662","0.004","26.283","0.002","90","","90","","90","","4220","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 Cl5 N5 O6 P2 -","- C32 H50 Cl5 N5 O6 P2 -","- C128 H200 Cl20 N20 O24 P8 -","4","1","","K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar","Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds","Journal of Organic Chemistry","2006","71","","1002","1008","10.1021/jo051997x","","","0.71073","MoKα","","0.0526","0.0415","","","0.1094","0.1337","","","","","","1.073","","","","has coordinates","178392","2020-10-21","18:00:00",""
"4021464","7.0506","0.0012","11.0911","0.0019","25.228","0.005","90","","90","","90","","1972.8","0.6","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Gary A. Molander; Barbara Czakó; David J. St. Jean, Jr.","A General Route toward the Synthesis of the Cladiellin Skeleton Utilizing a SmI~2~-Mediated Cyclization","Journal of Organic Chemistry","2006","71","","1172","1180","10.1021/jo052290d","","","0.71069","MoKα","","0.0716","0.0357","","","0.0666","0.0782","","","","","","0.791","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021472","9.408","0.0002","10.125","0.0002","14.0952","0.0003","90","","90","","90","","1342.65","0.05","173","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 N2 O5 S -","- C10 H18 N2 O5 S -","- C40 H72 N8 O20 S4 -","4","1","","Alberto Avenoza; Jesús H. Busto; Gonzalo Jiménez-Osés; Jesús M. Peregrina","S~N~2 Reaction of Sulfur Nucleophiles with Hindered Sulfamidates: Enantioselective Synthesis of α-Methylisocysteine","Journal of Organic Chemistry","2006","71","","1692","1695","10.1021/jo051632c","","","0.71073","MoKα","","0.0415","0.036","","","0.0928","0.0957","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021482","15.422","0.005","16.648","0.006","6.804","0.003","90","","90","","90","","1747","1","298","","298.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Fraser F. Fleming; Zhiyu Zhang; Guoqing Wei; Omar W. Steward","C-Metalated Nitriles: Electrophile-Dependent Alkylations and Acylations","Journal of Organic Chemistry","2006","71","","1430","1435","10.1021/jo052102j","","","0.7107","MoKα","","","0.0457","","","","0.0487","","","","","","1.439","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021491","13.932","0.003","16.279","0.003","18.937","0.004","90","","90","","90","","4295","1.5","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1R,3S,6S,9R)-3-Iodo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3S,6S,9R)-3-Iodo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 I O -","- C13 H23 I O -","- C156 H276 I12 O12 -","12","3","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0339","0.0242","","","0.0427","0.0449","","","","","","1.017","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021492","13.658","0.004","16.12","0.004","18.84","0.005","90","","90","","90","","4148","1.9","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1R,3S,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1R,3S,6S,9R)-3-Bromo-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Br O -","- C13 H23 Br O -","- C156 H276 Br12 O12 -","12","3","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0945","0.0371","","","0.0666","0.0791","","","","","","0.904","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021498","5.702","0.003","9.187","0.004","24.444","0.012","90","","90","","90","","1280.5","1","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1S,3S,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1S,3S,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Cl O -","- C13 H23 Cl O -","- C52 H92 Cl4 O4 -","4","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0583","0.0348","","","0.064","0.0687","","","","","","0.935","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021499","5.7016","0.0009","13.263","0.002","17.305","0.003","90","","90","","90","","1308.6","0.4","193","2","193","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","(1S,3R,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","(1S,3R,6R,9R)-3-Chloro-5,5,9-trimethylbicyclo[4.4.0]decan-1-ol","","- C13 H23 Cl O -","- C13 H23 Cl O -","- C52 H92 Cl4 O4 -","4","1","","R. Brandon Miles; Chad E. Davis; Robert M. Coates","Syn- and Anti-Selective Prins Cyclizations of δ,ε-Unsaturated Ketones to 1,3-Halohydrins with Lewis Acids","Journal of Organic Chemistry","2006","71","","1493","1501","10.1021/jo052142n","","","0.71073","MoKα","","0.0649","0.0411","","","0.0895","0.0957","","","","","","0.973","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021501","5.9036","0.0013","17.011","0.004","23.974","0.005","90","","90","","90","","2407.6","0.9","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Br O2 -","- C28 H29 Br O2 -","- C112 H116 Br4 O8 -","4","1","","Scott E. Denmark; Jiping Fu; Michael J. Lawler","Chiral Phosphoramide-Catalyzed Enantioselective Addition of Allylic Trichlorosilanes to Aldehydes. Preparative Studies with Bidentate Phosphorus-Based Amides","Journal of Organic Chemistry","2006","71","","1523","1536","10.1021/jo052203h","","","0.71073","MoKα","","0.111","0.0405","","","0.0606","0.072","","","","","","0.9","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021509","9.566","0.001","12.145","0.002","23.348","0.004","90","","90","","90","","2712.53","0.65","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O6 S -","- C25 H31 N O6 S -","- C100 H124 N4 O24 S4 -","4","1","","Yin Wang; Qin-Fei He; Hao-Wei Wang; Xuan Zhou; Zhi-Yan Huang; Yong Qin","Highly Diastereoselective Enolate Addition of O-Protected α-Hydroxyacetate to (S~R~)-tert-Butanesulfinylimines: Synthesis of Taxol Side Chain","Journal of Organic Chemistry","2006","71","","1588","1591","10.1021/jo052298n","","","0.71073","MoKα","","0.0655","0.0418","","","0.0866","0.0913","","","","","","0.975","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021525","6.1762","0.0014","14.029","0.003","17.742","0.004","90","","90","","90","","1537.2","0.6","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","trans-aziridino-epoxide","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0449","0.0398","","","0.0976","0.0999","","","","","","0.998","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021527","8.405","0.003","13.343","0.005","15.028","0.005","90","","90","","90","","1685.3","1","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","cis-aziridino-epoxy-carvone","(1aS,4S,5aS)-1a-methyl-4-{(2R)-2-methyl-1-[(4-methylphenyl) sulfonyl]aziran-2-yl}perhydro-1-benzoxiren-2-one","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","","Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran","Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes","Journal of Organic Chemistry","2006","71","","1653","1657","10.1021/jo052357x","","","0.71073","MoKα","","0.0283","0.0273","","","0.0676","0.0682","","","","","","1.096","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021528","6.87","0.003","17.753","0.007","18.14","0.007","90","","90","","90","","2212.4","1.6","293","2","293","2","","","","","","","chemical synthesis","4","P 21 21 21","P 2ac 2ab","19","Fred2003","","","- C23 H21 N3 O7 -","- C23 H21 N3 O7 -","- C92 H84 N12 O28 -","4","1","","Frédéric Peyrane; Michèle Cesario; Pascale Clivio","Photochemical Ring Expansion of 4-Azidouracil: a Route to 5H-1,3,5-Triazepin-2,4-dione in the Nucleoside Series","Journal of Organic Chemistry","2006","71","","1742","1745","10.1021/jo0524066","","","0.71073","MoKα","","0.0615","0.0442","","0.0864","","0.0798","","","1.097","","","1.113","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021531","10.3806","0.0002","14.2036","0.0004","19.7427","0.0005","90","","90","","90","","2910.9","0.12","294","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 O5 Si -","- C31 H36 O5 Si -","- C124 H144 O20 Si4 -","4","1","","Nicolas Pichon; Anne Harrison-Marchand; Loic Toupet; Jacques Maddaluno","Stereocontrolled Synthesis and Cycloaddition of 1,2,4-Trioxygenated 1,3-Dienes","Journal of Organic Chemistry","2006","71","","1892","1901","10.1021/jo0521854","","","0.71069","MoKα","","0.1104","0.0507","","","0.1255","0.1577","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021532","9.3229","0.0003","13.8767","0.0005","22.3925","0.0011","90","","90","","90","","2896.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","NOE2","NOE2","","- C12 H21 N O5 -","- C24 H42 N2 O10 -","- C96 H168 N8 O40 -","4","1","","Gonzalo Jiménez-Osés; Francisco Corzana; Jesús H. Busto; Marta Pérez-Fernández; Jesús M. Peregrina; Alberto Avenoza","Conformational Analysis of 2-Substituted Cyclobutane‒amino Acid Derivatives. A Synergistic Experimental and Computational Study","Journal of Organic Chemistry","2006","71","","1869","1878","10.1021/jo0521955","","","0.71073","MoKα","","0.0697","0.0522","","","0.1145","0.1252","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4021536","9.7028","0.0013","10.3326","0.0014","22.559","0.003","90","","90","","90","","2261.7","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","04022a","3-[3R-Benzyl-1-(4-methoxybenzyl)-2-oxo-pyrrolidin-3-yl] -4S-phenyl-oxazolidin-2-one (7a)","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Bhooma Raghavan; Rodney L. Johnson","Short Stereoselective Synthesis of α-Substitute γ-Lactams","Journal of Organic Chemistry","2006","71","","2151","2154","10.1021/jo052212q","","","0.71073","MoKα","","0.0366","0.0282","","","0.0719","0.0785","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021540","10.061","0.003","12.495","0.003","18.164","0.005","90","","90","","90","","2283.4","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,2'S,4a'S,7'R,8a'R)-2-(3-Benzyl-4',4',7'- trimethyl-octahydro-2H-benzo[e][1,3] oxazin-2'-yl)-1,1,1-trifluoro-3- methylbutan-2-ol","","- C23 H34 F3 N O2 -","- C23 H34 F3 N O2 -","- C92 H136 F12 N4 O8 -","4","1","","Rafael Pedrosa; Sonia Sayalero; Martina Vicente; Alicia Maestro","An Efficient Synthesis of Enantiomerically Enriched Trifluoromethylated 1,2-Diols and 1,2-Amino Alcohols with Quaternary Stereocenters by Diastereoselective Addition of TMSCF~3~ to Chiral 2-Acyl-1,3-perhydrobenzoxazines","Journal of Organic Chemistry","2006","71","","2177","2180","10.1021/jo052458v","","","0.71073","MoKα","","0.0339","0.0281","","","0.0765","0.0814","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021545","6.266","0.0011","11.757","0.002","23.212","0.004","90","","90","","90","","1710.1","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound12","(4S)-4-benzyl-3-[(3S)-spiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane] -5-en-3-ylcarbonyl]-1,3-oxazolidin-2-one","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Jeffrey T. Kuethe; Dalian Zhao; Guy R. Humphrey; Michel Journet; Arlene E. McKeown","Asymmetric Diels-Alder Reactions of Chiral Cyclopropylidene Imide Dienophiles: Preparation of gem-Dimethyl- and Spirocyclopropane Norbornyl Carboxylic Acids","Journal of Organic Chemistry","2006","71","","2192","2195","10.1021/jo052516c","","","0.71073","MoKα","","0.0535","0.045","","","0.1121","0.1175","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021546","8.7449","0.0007","9.1351","0.0008","20.2771","0.0017","90","","90","","90","","1619.8","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound22","(3aS,8aR)-3-[(3S)-spiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane] -5-en-3-ylcarbonyl]-3,3a,8,8a-tetrahydro-2H-indeno[1,2-d][1,3]oxazo-2-one","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Jeffrey T. Kuethe; Dalian Zhao; Guy R. Humphrey; Michel Journet; Arlene E. McKeown","Asymmetric Diels-Alder Reactions of Chiral Cyclopropylidene Imide Dienophiles: Preparation of gem-Dimethyl- and Spirocyclopropane Norbornyl Carboxylic Acids","Journal of Organic Chemistry","2006","71","","2192","2195","10.1021/jo052516c","","","0.71073","MoKα","","0.0368","0.0336","","","0.0847","0.0869","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021572","7.949","0.001","10.221","0.002","19.48","0.002","90","0.01","90","0.009","90","0.01","1582.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl (2aS,7S,7aR,7bR)-7-tert-Butoxy-2a-chlorohexahydro cyclobuta[d]pyrrolo[1,2-b]isoxazole-7b-(1H)-carboxylate","","- C14 H22 Cl N O4 -","- C14 H22 Cl N O4 -","- C56 H88 Cl4 N4 O16 -","4","1","","Julia Revuelta; Stefano Cicchi; Cristina Faggi; Sergei I. Kozhushkov; Armin de Meijere; Alberto Brandi","Synthesis of Enantiopure Indolizinones by Cascade Ring Enlargements of 4'-Chlorospiro[cyclopropane-1,5'-isoxazolidines]","Journal of Organic Chemistry","2006","71","","2417","2423","10.1021/jo052564x","","","0.71073","MoKα","","0.0939","0.0646","","","0.153","0.1724","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021574","8.8844","0.0002","9.2378","0.0002","11.7132","0.0003","90","","90","","90","","961.33","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 O P -","- C10 H13 O P -","- C40 H52 O4 P4 -","4","1","","Marco Oliana; Frank King; Peter N. Horton; M. B. Hursthouse; King Kuok (Mimi) Hii","Practical Synthesis of Chiral Vinylphosphine Oxides by Direct Nucleophilic Substitution. Stereodivergent Synthesis of Aminophosphine Ligands","Journal of Organic Chemistry","2006","71","","2472","2479","10.1021/jo052575q","","","0.71073","MoKα","","0.0305","0.0273","","","0.0653","0.0671","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021577","9.708","0.0007","19.346","0.001","20.884","0.002","90","","90","","90","","3922.2","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C40 H49 F6 Fe N O P Pd Sb -","- C40 H49 F6 Fe N O P Pd Sb -","- C160 H196 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","4","1","","Felix M. Geisler; Günter Helmchen","Chiral Phosphinooxazolines with a Pentamethylferrocene Backbone- Synthesis and Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","2486","2492","10.1021/jo0526136","","","0.71073","MoKα","","0.0314","0.028","","","0.0644","0.0656","","","","","","1.045","","","","has coordinates","178393","2020-10-21","18:00:00",""
"4021588","9.2219","0.0005","10.6484","0.0005","17.6602","0.0009","90","","90","","90","","1734.2","0.15","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 I N S2 -","- C16 H26 I N S2 -","- C64 H104 I4 N4 S8 -","4","1","","Amos B. Smith, III; Dae-Shik Kim","A General, Convergent Strategy for the Construction of Indolizidine Alkaloids: Total Syntheses of (-)-Indolizidine 223AB and Alkaloid (-)-205B","Journal of Organic Chemistry","2006","71","","2547","2557","10.1021/jo052314g","","","0.71069","MoKα","","0.0201","0.0197","","","0.0466","0.0469","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021615","8.7276","0.0001","10.6514","0.0001","21.8479","0.0002","90","","90","","90","","2031.01","0.04","293","2","293","2","","","","","","","synthesized by the authors, see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N O7 P -","- C16 H28 N O7 P -","- C64 H112 N4 O28 P4 -","4","1","","Stephen Hanessian; Cécile Gauchet; Guillaume Charron; Julien Marin; Philippe Nakache","Design and Synthesis of Diversely Substituted Azacyclic Inhibitors of Endothelin Converting Enzyme","Journal of Organic Chemistry","2006","71","","2760","2778","10.1021/jo052649y","","","1.54184","CuKα","","0.0481","0.046","","0.1286","","0.1264","","","1.016","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021616","10.106","0.003","10.272","0.004","19.673","0.006","90","","90","","90","","2042.2","1.2","293","2","293","2","","","","","","","synthesized by the authors, see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N O7 P -","- C16 H28 N O7 P -","- C64 H112 N4 O28 P4 -","4","1","","Stephen Hanessian; Cécile Gauchet; Guillaume Charron; Julien Marin; Philippe Nakache","Design and Synthesis of Diversely Substituted Azacyclic Inhibitors of Endothelin Converting Enzyme","Journal of Organic Chemistry","2006","71","","2760","2778","10.1021/jo052649y","","","1.54184","CuKα","","0.039","0.0369","","0.103","","0.1015","","","1.041","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021620","6.3295","0.0016","11.365","0.003","13.908","0.003","90","","90","","90","","1000.5","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","6-Amino-3-(β-D-2-deoxy-erythrofuranosyl)-2-fluuoropyridine","(2R,3R,5R)-5-(6-amino-2-fluoropyridin-3-yl)- tetrahydro-2-(hydroxymethyl)furan-3-ol","","- C10 H13 F N2 O3 -","- C10 H13 F N2 O3 -","- C40 H52 F4 N8 O12 -","4","1","","Zhenhua Sun; Shahadat Ahmed; Larry W. McLaughlin","Syntheses of Pyridine C-Nucleosides as Analogues of the Natural Nucleosides dC and dU","Journal of Organic Chemistry","2006","71","","2922","2925","10.1021/jo060066y","","x-ray","0.71073","MoKα","","0.0359","0.0334","","","","0.0812","","","","","","0.994","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021624","7.773","0.0008","11.172","0.001","16.251","0.004","90","","90","","90","","1411.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl O4 -","- C14 H19 Cl O4 -","- C56 H76 Cl4 O16 -","4","1","","Vishwakarma Singh; Shantanu Pal; Shaikh M. Mobin","Cycloaddition between Electron-Deficient π-Systems, Photochemical and Radical-Induced Reactions: A Novel, General, and Stereoselective Route to Polyfunctionalized Bridged Bicyclo[2.2.2]octanes, Bicyclo[3.3.0]octanes, Bicyclo[4.2.0]octanes, and Tricyclo[4.3.1.0^3,7^]decanes","Journal of Organic Chemistry","2006","71","","3014","3025","10.1021/jo052544v","","","0.71073","MoKα","","0.0527","0.0351","","","0.0848","0.0938","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021633","7.4498","0.0003","10.6899","0.0004","11.6023","0.0003","90","","90","","90","","923.98","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","ferrocenyl azide","","- C10 H9 Fe N3 -","- C10 H9 Fe N3 -","- C40 H36 Fe4 N12 -","4","1","","Peter Walla; Vladimir B. Arion; Udo H. Brinker","Solvent- and Temperature-Tuned Orientation of Ferrocenyl Azide Inside β-Cyclodextrin","Journal of Organic Chemistry","2006","71","","3274","3277","10.1021/jo060102t","","","0.71073","MoKα","","0.0153","0.0148","","","0.039","0.0392","","","","","","1.067","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021636","5.6458","0.0002","14.9698","0.0004","22.167","0.0006","90","","90","","90","","1873.48","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Albert Padwa; Qiu Wang","Rhodium(I)-Catalyzed Nucleophilic Ring-Opening Reactions of Oxabicyclo Adducts Derived from the [4 + 2]-Cycloaddition of 2-Imido-Substituted Furans","Journal of Organic Chemistry","2006","71","","3210","3220","10.1021/jo060238r","","","1.54178","CuKα","","0.0365","0.0318","","","0.0813","0.0879","","","","","","1.148","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021639","8.8777","0.0002","9.1491","0.0002","17.359","0.0004","90","","90","","90","","1409.95","0.05","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0544","0.0416","","0.0533","","0.051","","","1.314","","","1.446","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021640","7.561","0.0002","16.2981","0.0004","17.611","0.0005","90","","90","","90","","2170.2","0.09","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0624","0.0393","","0.0451","","0.0403","","","0.955","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021641","7.7972","0.0001","8.4637","0.0001","18.482","0.0004","90","","90","","90","","1219.69","0.03","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.7107","MoKα","","0.0594","0.041","","0.0512","","0.048","","","1.202","","","1.321","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021646","7.6385","0.0001","11.8594","0.0001","29.2414","0.0004","90","","90","","90","","2648.92","0.05","200","","200","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H37 N O3 -","- C29 H37 N O3 -","- C116 H148 N4 O12 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.71073","MoKα","","","0.0353","","","","0.0381","","","","","","1.0422","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021647","12.7675","0.0001","15.2014","0.0001","19.6121","0.0002","90","","90","","90","","3806.39","0.06","200","","200","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H60 N2 O5 S -","- C39 H60 N2 O5 S -","- C156 H240 N8 O20 S4 -","4","1","","Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton","4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines","Journal of Organic Chemistry","2006","71","","3221","3231","10.1021/jo0602569","","","0.71073","MoKα","","0.0517","0.0276","","0.0385","0.0307","0.0307","","","","","","1.126","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021648","9.1846","0.0005","12.2299","0.0007","13.6313","0.0008","90","","90","","90","","1531.16","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C56 H100 N4 O24 -","4","1","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.0587","0.05","","","0.1282","0.1357","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021649","9.2158","0.0004","9.2268","0.0004","36.499","0.0016","90","","90","","90","","3103.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C112 H200 N8 O48 -","8","2","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.079","0.0576","","","0.1317","0.1441","","","","","","1.112","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021650","10.0458","0.0005","15.1747","0.0008","20.8717","0.0011","90","","90","","90","","3181.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C112 H200 N8 O48 -","8","2","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.1008","0.0574","","","0.1263","0.1462","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021651","11.7344","0.0007","13.0317","0.0008","10.7158","0.0006","90","","90","","90","","1638.65","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 N O7 -","- C14 H25 N O7 -","- C56 H100 N4 O28 -","4","1","","Tony K. M. Shing; Annie W. F. Wong; Taketo Ikeno; Tohru Yamada","Experimental and Theoretical Studies on Stereo- and Regioselectivity in Intramolecular Nitrone-Alkene Cycloaddition of Hept-6-enoses Derived from Carbohydrates","Journal of Organic Chemistry","2006","71","","3253","3263","10.1021/jo060348y","","","0.71073","MoKα","","0.0756","0.0628","","","0.1485","0.1573","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021664","13.6913","0.0018","15.254","0.002","18.401","0.002","90","","90","","90","","3843.2","0.9","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Cd Cl2 I2 N3 O4 S2 -","- C36 H29 Cd Cl2 I2 N3 O4 S2 -","- C144 H116 Cd4 Cl8 I8 N12 O16 S8 -","4","1","","Michael Harmata; Nathan L. Calkins; Russell G. Baughman; Charles L. Barnes","New Chiral Benzothiazine Ligand and Its Use in the Synthesis of a Chiral Receptor","Journal of Organic Chemistry","2006","71","","3650","3652","10.1021/jo060175c","","","0.71073","MoKα","","0.0584","0.0393","","","0.07","0.0758","","","","","","1.024","","","","has coordinates","178394","2020-10-21","18:00:00",""
"4021668","6.9223","0.0004","11.9648","0.0007","18.529","0.001","90","","90","","90","","1534.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(4-Methoxy-phenyl)-1-methyl-4-pyrimidin-2-yl-2,3-1H-pyrrolo[2,3-b]pyrimidine","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C76 H72 N16 O4 -","4","1","","Oana G. Schramm; Née Dediu; Thomas Oeser; Thomas J. J. Müller","Coupling-Isomerization-N,S-Ketene Acetal-Addition Sequences- A Three-Component Approach to Highly Fluorescent Pyrrolo[2,3-b]pyridines, [1,8]Naphthyridines, and Pyrido[2,3-b]azepines","Journal of Organic Chemistry","2006","71","","3494","3500","10.1021/jo0602726","","","0.71073","MoKα","","0.0389","0.0379","","","0.1003","0.1013","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021681","6.5866","0.0007","10.7519","0.0011","25.662","0.003","90","","90","","90","","1817.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F3 N O6 -","- C17 H18 F3 N O6 -","- C68 H72 F12 N4 O24 -","4","1","","Qi Chen; Xiao-Long Qiu; Feng-Ling Qing","Indium-Mediated Diastereoselective Allylation of D- and L-Glyceraldimines with 4-Bromo-1,1,1-trifluoro-2-butene: Highly Stereoselective Synthesis of 4,4,4-Trifluoroisoleucines and 4,4,4-Trifluorovaline","Journal of Organic Chemistry","2006","71","","3762","3767","10.1021/jo0601157","","","0.71073","MoKα","","0.0842","0.051","","","0.1079","0.1185","","","","","","0.83","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021682","9.2107","0.0012","10.4318","0.0013","20.222","0.003","90","","90","","90","","1943","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F3 N2 O5 -","- C17 H21 F3 N2 O5 -","- C68 H84 F12 N8 O20 -","4","1","","Qi Chen; Xiao-Long Qiu; Feng-Ling Qing","Indium-Mediated Diastereoselective Allylation of D- and L-Glyceraldimines with 4-Bromo-1,1,1-trifluoro-2-butene: Highly Stereoselective Synthesis of 4,4,4-Trifluoroisoleucines and 4,4,4-Trifluorovaline","Journal of Organic Chemistry","2006","71","","3762","3767","10.1021/jo0601157","","","0.71073","MoKα","","0.1229","0.0457","","","0.0823","0.0972","","","","","","0.724","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021690","5.7123","0.0011","11.521","0.002","19.939","0.004","90","","90","","90","","1312.2","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Jeff T. Suri; Susumu Mitsumori; Klaus Albertshofer; Fujie Tanaka; Carlos F. Barbas III","Dihydroxyacetone Variants in the Organocatalytic Construction of Carbohydrates: Mimicking Tagatose and Fuculose Aldolases","Journal of Organic Chemistry","2006","71","","3822","3828","10.1021/jo0602017","","","0.71073","MoKα","","0.0424","0.0356","","","0.0856","0.0896","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021692","8.914","0.002","12.872","0.002","14.088","0.002","90","","90","","90","","1616.5","0.4","98.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Ayumu Niida; Hiroaki Tanigaki; Eriko Inokuchi; Yoshikazu Sasaki; Shinya Oishi; Hiroaki Ohno; Hirokazu Tamamura; Zixuan Wang; Stephen C. Peiper; Kazuo Kitaura; Akira Otaka; Nobutaka Fujii","Stereoselective Synthesis of 3,6-Disubstituted-3,6-dihydropyridin-2-ones as Potential Diketopiperazine Mimetics Using Organocopper-Mediated anti-S~N~2' Reactions and Their Use in the Preparation of Low-Molecule CXCR4 Antagonists","Journal of Organic Chemistry","2006","71","","3942","3951","10.1021/jo060390t","","","0.7107","MoKα","","","0.0355","","","","0.0623","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021693","8.683","0.002","10.611","0.002","12.899","0.003","90","","90","","90","","1188.4","0.4","133.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Ayumu Niida; Hiroaki Tanigaki; Eriko Inokuchi; Yoshikazu Sasaki; Shinya Oishi; Hiroaki Ohno; Hirokazu Tamamura; Zixuan Wang; Stephen C. Peiper; Kazuo Kitaura; Akira Otaka; Nobutaka Fujii","Stereoselective Synthesis of 3,6-Disubstituted-3,6-dihydropyridin-2-ones as Potential Diketopiperazine Mimetics Using Organocopper-Mediated anti-S~N~2' Reactions and Their Use in the Preparation of Low-Molecule CXCR4 Antagonists","Journal of Organic Chemistry","2006","71","","3942","3951","10.1021/jo060390t","","","0.7107","MoKα","","","0.0363","","","","0.0714","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021695","6.05","0.001","9.625","0.002","21.19","0.004","90","","90","","90","","1233.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Lili Lin; Qian Fan; Bo Qin; Xiaoming Feng","Highly Enantio- and Diastereoselective Brassard Type Hetero-Diels-Alder Approach to 5-Methyl-Containing α,β-Unsaturated δ-Lactones","Journal of Organic Chemistry","2006","71","","4141","4146","10.1021/jo060046w","","","0.71073","MoKα","","0.1337","0.047","","","0.055","0.0666","","","","","","0.954","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021698","8.683","0.002","10.611","0.002","12.899","0.003","90","","90","","90","","1188.4","0.4","133.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Ayumu Niida; Makiko Mizumoto; Tetsuo Narumi; Eriko Inokuchi; Shinya Oishi; Hiroaki Ohno; Akira Otaka; Kazuo Kitaura; Nobutaka Fujii","Synthesis of (Z)-Alkene and (E)-Fluoroalkene-Containing Diketopiperazine Mimetics Utilizing Organocopper-Mediated Reduction-Alkylation and Diastereoselectivity Examination Using DFT Calculations","Journal of Organic Chemistry","2006","71","","4118","4129","10.1021/jo060202z","","","0.7107","MoKα","","","0.0363","","","","0.0714","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021699","8.914","0.002","12.872","0.002","14.088","0.002","90","","90","","90","","1616.5","0.4","98.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Ayumu Niida; Makiko Mizumoto; Tetsuo Narumi; Eriko Inokuchi; Shinya Oishi; Hiroaki Ohno; Akira Otaka; Kazuo Kitaura; Nobutaka Fujii","Synthesis of (Z)-Alkene and (E)-Fluoroalkene-Containing Diketopiperazine Mimetics Utilizing Organocopper-Mediated Reduction-Alkylation and Diastereoselectivity Examination Using DFT Calculations","Journal of Organic Chemistry","2006","71","","4118","4129","10.1021/jo060202z","","","0.7107","MoKα","","","0.0355","","","","0.0623","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021706","9.702","0.003","10.67","0.003","29.835","0.008","90","","90","","90","","3088.4","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","9-(2,3,5-tri-O-acetyl-β-D-ribofuranosyl)-2-chloro-6- (4,5-diphenylimidazol-1-yl)purine","","- C31 H27 Cl N6 O7 -","- C31 H27 Cl N6 O7 -","- C124 H108 Cl4 N24 O28 -","4","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0448","0.0281","","","0.0604","0.0675","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021707","9.9025","0.0017","13.057","0.0015","19.969","0.002","90","","90","","90","","2582","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","9-(5-O-tert-butyldimethylsilyl-2,3-dideoxy-3-iodo- β-D-threo-pentofuranosyl)-6-(2,5-dimethylpyrrol-1-yl)purine","","- C22 H32 I N5 O2 Si -","- C22 H32 I N5 O2 Si -","- C88 H128 I4 N20 O8 Si4 -","4","1","","Minghong Zhong; Ireneusz Nowak; John F. Cannon; Morris J. Robins","Structure and Synthesis of 6-(Substituted-imidazol-1-yl)purines: Versatile Substrates for Regiospecific Alkylation and Glycosylation at N9","Journal of Organic Chemistry","2006","71","","4216","4221","10.1021/jo060340o","","","0.71073","MoKα","","0.0942","0.0488","","","0.0743","0.0863","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021709","7.5","0.001","10.249","0.002","29.643","0.006","90","","90","","90","","2278.6","0.7","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","Paquette 1365","","","- C22 H36 O6 Si -","- C22 H36 O6 Si -","- C88 H144 O24 Si4 -","4","1","","Leo A. Paquette; Yunlong Zhang","From Common Carbohydrates to Enantiopure Cyclooctane Polyols and Glycomimetics via Deoxygenative Zirconocene Ring Contraction","Journal of Organic Chemistry","2006","71","","4353","4363","10.1021/jo051989g","","x-ray","0.71073","MoKα","","0.0664","0.0458","","","0.0992","0.1075","","","","","","1.069","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021710","11.2797","0.0011","11.9022","0.0011","13.0227","0.0012","90","","90","","90","","1748.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0442","0.0336","","","0.1008","0.1129","","","","","","0.826","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021712","10.2983","0.0008","10.946","0.0009","13.785","0.0012","90","","90","","90","","1553.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0778","0.0645","","","0.1901","0.2024","","","","","","1.45","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021713","6.9263","0.0006","12.6281","0.001","18.6474","0.0015","90","","90","","90","","1631","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Peng-Fei Xu; Shuo Li; Ta-Jung Lu; Chen-Chang Wu; Botao Fan; Georgia Golfis","Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids by Diastereoselective Alkylation of Camphor-Based Tricyclic Iminolactone","Journal of Organic Chemistry","2006","71","","4364","4373","10.1021/jo052435g","","","0.71073","MoKα","","0.0377","0.0346","","","0.1158","0.1195","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021747","7.4164","0.0018","12.426","0.003","20.103","0.005","90","","90","","90","","1852.6","0.8","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 N2 O -","- C12 H8 N2 O -","- C96 H64 N16 O8 -","8","2","","Cristiano Raminelli; Zhijian Liu; Richard C. Larock","Regioselective Synthesis of 3-(2-Hydroxyaryl)pyridines via Arynes and Pyridine N-Oxides","Journal of Organic Chemistry","2006","71","","4689","4691","10.1021/jo060523a","","","0.71073","MoKα","","0.0379","0.0332","","","0.086","0.0896","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021755","8.2594","0.0004","14.7704","0.0008","20.8394","0.0009","90.058","0.004","89.99","0.004","89.935","0.004","2542.3","0.2","100","","100","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 F N2 O4 -","- C30 H29 F N2 O4 -","- C120 H116 F4 N8 O16 -","4","1","","Tilak Chandra; Xiang Zou; Edward J. Valente; Kenneth L. Brown","Regio- and Stereoselective Glycosylation: Synthesis of 5-Haloimidazole α-Ribonucleosides","Journal of Organic Chemistry","2006","71","","5000","5003","10.1021/jo060087s","","x-ray","0.71073","MoKα","","0.0463","0.0378","","","0.0924","0.0953","","","","","","0.994","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021762","7.543","0.0001","10.508","0.0002","21.921","0.0004","90","","90","","90","","1737.5","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 S -","- C20 H20 O4 S -","- C80 H80 O16 S4 -","4","1","","Don Antoine Lanfranchi; Gilles Hanquet","Asymmetric Diels-Alder Reactions of a New Enantiomerically Pure Sulfinylquinone: A Straightforward Access to Functionalized Wieland-Miescher Ketone Analogues with (R) Absolute Configuration","Journal of Organic Chemistry","2006","71","","4854","4861","10.1021/jo060486n","","","0.71073","MoKα","","0.048","0.0372","","","0.088","0.0937","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021764","5.209","0.001","8.188","0.002","18.667","0.006","90","","90","","90","","796.1","0.4","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O -","- C9 H13 N O -","- C36 H52 N4 O4 -","4","1","","Yoshikazu Sasaki; Ayumu Niida; Takashi Tsuji; Akira Shigenaga; Nobutaka Fujii; Akira Otaka","Stereoselective Synthesis of (Z)-Alkene-Containing Proline Dipeptide Mimetics","Journal of Organic Chemistry","2006","71","","4969","4979","10.1021/jo0606002","","","0.7107","MoKα","","","0.057","","","","0.156","","","","","","1.016","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021770","8.1328","0.0004","9.4467","0.0004","20.376","0.0009","90","","90","","90","","1565.45","0.12","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O S -","- C17 H24 O S -","- C68 H96 O4 S4 -","4","1","","Susan B. Billings; K. A. Woerpel","Nucleophilic Substitution Reactions of Sulfur-Substituted Cyclohexanone Acetals: An Analysis of the Factors Controlling Stereoselectivity","Journal of Organic Chemistry","2006","71","","5171","5178","10.1021/jo060077r","","","0.71073","MoKα","","0.0292","0.0276","","","0.0728","0.0738","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021777","14.9969","0.0002","29.4294","0.0004","11.8503","0.0001","90","","90","","90","","5230.1","0.1","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H64 N2 O11 -","- C56 H64 N2 O11 -","- C224 H256 N8 O44 -","4","1","","Yuya Tachibana; Hiroaki Kawasaki; Nobuhiro Kihara; Toshikazu Takata","Sequential O- and N-Acylation Protocol for High-Yield Preparation and Modification of Rotaxanes: Synthesis, Functionalization, Structure, and Intercomponent Interaction of Rotaxanes","Journal of Organic Chemistry","2006","71","","5093","5104","10.1021/jo0601563","","","0.7107","MoKα","","","0.045","","","","0.121","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021784","5.466","0.001","9.27","0.001","24.217","0.003","90","","90","","90","","1227.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-methyl-6-phenylhex-5-ene-2,4-diol","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Agnese Abate; Elisabetta Brenna; Alessia Costantini; Claudio Fuganti; Francesco G. Gatti; Luciana Malpezzi; Stefano Serra","Enzymatic Approach to Enantiomerically Pure 5-Alken-2,4-diols and 4-Hydroxy-5-alken-2-ones: Application to the Synthesis of Chiral Synthons","Journal of Organic Chemistry","2006","71","","5228","5240","10.1021/jo060581w","","","1.54179","CuKα","","0.1022","0.0807","","","0.1918","0.2152","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021800","9.0996","0.0008","9.6184","0.0009","16.7505","0.0015","90","","90","","90","","1466.1","0.2","90","1","90","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[4-Bromophenyl]-1a,6a-dihydro-1H-6-oxacyclopropa[a]indene-1-carboxylic acid methyl ester","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Simon J. Hedley; Dominic L. Ventura; Paulina M. Dominiak; Cara L. Nygren; Huw M. L. Davies","Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids","Journal of Organic Chemistry","2006","71","","5349","5356","10.1021/jo060779g","","","0.71073","MoKα","","0.0209","0.018","","","0.0405","0.0412","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021812","11.908","0.014","13.215","0.015","16.772","0.019","90","","90","","90","","2639","5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound15","","","- C26 H16 Br Cl4 O3 P -","- C26 H16 Br Cl4 O3 P -","- C104 H64 Br4 Cl16 O12 P4 -","4","1","","Shohei Sase; Naokazu Kano; Takayuki Kawashima","Pentacoordinate 1H-Phosphirenes: Reactivity, Bonding Properties, and Substituent Effects on Their Structures and Thermal Stability","Journal of Organic Chemistry","2006","71","","5448","5456","10.1021/jo060358z","","","0.7107","MoKα","","0.1906","0.1557","","","0.3205","0.3419","","","","","","1.19","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021814","5.3816","0.0018","8.385","0.003","27.511","0.009","90","","90","","90","","1241.4","0.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1a","","","- C16 H12 O Se -","- C16 H12 O Se -","- C64 H48 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","0.0254","0.0234","","","0.0457","0.0466","","","","","","1.059","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021821","8.401","0.002","29.632","0.004","5.448","0.004","90","","90","","90","","1356.2","0.9","292.2","","292.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O Se -","- C17 H14 O Se -","- C68 H56 O4 Se4 -","4","1","","Satoko Hayashi; Hideki Wada; Takashi Ueno; Waro Nakanishi","Structures of 1-(Arylseleninyl)naphthalenes: O, G, and Y Dependences in 8-G-1-[p-YC~6~H~4~Se(O)]C~10~H~6~","Journal of Organic Chemistry","2006","71","","5574","5585","10.1021/jo060527f","","","0.7107","MoKα","","","0.0408","","","0.0411","","","","","1.796","1.796","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021825","7.128","0.0005","11.738","0.0009","17.068","0.003","90","","90","","90","","1428.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 B N P -","- C12 H23 B N P -","- C48 H92 B4 N4 P4 -","4","1","","Jean-Valère Naubron; Laurent Giordano; Frédéric Fotiadu; Thomas Bürgi; Nicolas Vanthuyne; Christian Roussel; Gérard Buono","Chromatographic Resolution, Solution and Crystal Phase Conformations, and Absolute Configuration of tert-Butyl(dimethylamino)phenylphosphine-Borane Complex","Journal of Organic Chemistry","2006","71","","5586","5593","10.1021/jo0605647","","","0.71073","MoKα","","0.0445","0.0389","","","0.097","0.1009","","","","","","1.113","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021837","15.041","0.017","15.047","0.017","14.156","0.016","90","","90","","90","","3204","6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C136 H184 N8 O32 -","8","2","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0666","0.0568","","","0.1371","0.1422","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021838","10.311","0.012","11.648","0.013","13.537","0.015","90","","90","","90","","1626","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0908","0.0756","","","0.155","0.1624","","","","","","1.262","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021839","6.24","0.009","10.604","0.012","19.21","0.02","90","","90","","90","","1271","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Sk. Sahabuddin; Ashim Roy; Michael G. B. Drew; Biswajit Gopal Roy; Basudeb Achari; Sukhendu B. Mandal","Sequential Ring-Closing Metathesis and Nitrone Cycloaddition on Glucose-Derived Substrates: A Divergent Approach to Analogues of Spiroannulated Carbanucleosides and Conformationally Locked Nucleosides","Journal of Organic Chemistry","2006","71","","5980","5992","10.1021/jo0606554","","","0.71073","MoKα","","0.0578","0.0448","","","0.1126","0.1195","","","","","","0.936","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021851","11.358","0.002","15.466","0.004","9.749","0.002","90","","90","","90","","1712.5","0.6","298.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 O2 -","- C24 H16 O2 -","- C96 H64 O8 -","4","1","","Yoshihiro Miyake; Mo Wu; M. Jalilur Rahman; Yoshiyuki Kuwatani; Masahiko Iyoda","Efficient Construction of Biaryls and Macrocyclic Cyclophanes via Electron-Transfer Oxidation of Lipshutz Cuprates","Journal of Organic Chemistry","2006","71","","6110","6117","10.1021/jo0608063","","","0.7107","MoKα","","","0.0606","","","","0.2111","","","","","","1.932","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021858","9.0744","0.0008","12.5038","0.0012","19.0417","0.0018","90","","90","","90","","2160.6","0.3","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C120 H80 N8 -","4","1","","Yi-Heng Sun; Xu-Hui Zhu; Zhao Chen; Yong Zhang; Yong Cao","Potential Solution Processible Phosphorescent Iridium Complexes toward Applications in Doped Light-Emitting Diodes: Rapid Syntheses and Optical and Morphological Characterizations","Journal of Organic Chemistry","2006","71","","6281","6284","10.1021/jo060840h","","","0.71073","MoKα","","0.0437","0.0335","","","0.0757","0.0816","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021859","7.2373","0.0004","13.5582","0.0008","19.6995","0.0011","90","","90","","90","","1933.01","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Sreekanth A. Ramachandran; Rajendra K. Kharul; Sylvain Marque; Pierre Soucy; Frédéric Jacques; Robert Chênevert; Pierre Deslongc","Synthetic Studies toward Highly Functionalized 5β-Lanosterol Derivatives: A Versatile Approach Utilizing Anionic Cycloaddition","Journal of Organic Chemistry","2006","71","","6149","6156","10.1021/jo0608725","","","0.71073","MoKα","","0.0414","0.0328","","","0.0765","0.0813","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021860","7.9606","0.0005","9.3051","0.0006","25.7461","0.0016","90","","90","","90","","1907.1","0.2","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Sreekanth A. Ramachandran; Rajendra K. Kharul; Sylvain Marque; Pierre Soucy; Frédéric Jacques; Robert Chênevert; Pierre Deslongc","Synthetic Studies toward Highly Functionalized 5β-Lanosterol Derivatives: A Versatile Approach Utilizing Anionic Cycloaddition","Journal of Organic Chemistry","2006","71","","6149","6156","10.1021/jo0608725","","","0.71073","MoKα","","0.0463","0.0371","","","0.0945","0.0995","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021861","6.5874","0.0007","12.1639","0.0013","32.34","0.003","90","","90","","90","","2591.3","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N O3 Si -","- C30 H37 N O3 Si -","- C120 H148 N4 O12 Si4 -","4","1","","Sreekanth A. Ramachandran; Rajendra K. Kharul; Sylvain Marque; Pierre Soucy; Frédéric Jacques; Robert Chênevert; Pierre Deslongc","Synthetic Studies toward Highly Functionalized 5β-Lanosterol Derivatives: A Versatile Approach Utilizing Anionic Cycloaddition","Journal of Organic Chemistry","2006","71","","6149","6156","10.1021/jo0608725","","","0.71073","MoKα","","0.0333","0.03","","","0.076","0.0785","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021864","5.6798","0.0008","14.991","0.002","20.777","0.004","90","","90","","90","","1769.1","0.4","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Stephen M. Goldup; Christopher J. Pilkington; Andrew J. P. White; Andrew Burton; Anthony G. M. Barrett","A Simple, Short, and Flexible Synthesis of Viridiofungin Derivatives","Journal of Organic Chemistry","2006","71","","6185","6191","10.1021/jo060931e","","","1.54178","CuKα","","0.0744","0.0688","","0.1912","0.1787","","","","1.044","1.05","1.05","","","","","has coordinates,has disorder","178396","2020-10-21","18:00:00",""
"4021866","5.7926","0.0004","21.7959","0.0014","24.7014","0.0015","90","","90","","90","","3118.7","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 N O9 -","- C30 H45 N O9 -","- C120 H180 N4 O36 -","4","1","","Stephen M. Goldup; Christopher J. Pilkington; Andrew J. P. White; Andrew Burton; Anthony G. M. Barrett","A Simple, Short, and Flexible Synthesis of Viridiofungin Derivatives","Journal of Organic Chemistry","2006","71","","6185","6191","10.1021/jo060931e","","","1.54248","CuKα","","0.0458","0.0332","","","0.067","0.0716","","","","","","0.942","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021876","4.7602","0.0003","13.4131","0.0009","29.517","0.003","90","","90","","90","","1884.6","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N4 O6 -","- C20 H18 N4 O6 -","- C80 H72 N16 O24 -","4","1","","Warren W. Gerhardt; Marcus Weck","Investigations of Metal-Coordinated Peptides as Supramolecular Synthons","Journal of Organic Chemistry","2006","71","","6333","6341","10.1021/jo060395q","","","1.54178","CuKα","","0.0648","0.0392","","","0.062","0.0666","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021889","9.3241","0.0006","24.0941","0.0015","27.4957","0.0017","90","","90","","90","","6177.1","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H74 B2 F8 N4 O6 Pd2 -","- C58 H74 B2 F8 N4 O6 Pd2 -","- C232 H296 B8 F32 N16 O24 Pd8 -","4","1","","Vincenzo Giulio Albano; Marco Bandini; Magda Monari; Eleonora Marcucci; Fabio Piccinelli; Achille Umani-Ronchi","Synthesis and Crystallographic Characterization of Chiral Bis-oxazoline-amides. Fine-Tunable Ligands for Pd-Catalyzed Asymmetric Alkylations","Journal of Organic Chemistry","2006","71","","6451","6458","10.1021/jo060767v","","","0.71073","MoKα","","0.1092","0.0741","","","0.1779","0.1993","","","","","","1.023","","","","has coordinates","178396","2020-10-21","18:00:00",""
"4021913","12.6019","0.0015","16.4583","0.0019","20.154","0.002","90","","90","","90","","4180.1","0.9","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 I6 -","- C45 H22 I6 -","- C180 H88 I24 -","4","1","","Chun Zhang; Chuan-Feng Chen","Synthesis and Structure of 2,6,14- and 2,7,14-Trisubstituted Triptycene Derivatives","Journal of Organic Chemistry","2006","71","","6626","6629","10.1021/jo061067t","","","0.71073","MoKα","","0.0648","0.04","","","0.101","0.1124","","","","","","1.08","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021923","15.8067","0.0008","17.1839","0.0008","34.6122","0.0017","90","","90","","90","","9401.4","0.8","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H63 N2 O9 S Si2 -","- C35 H63 N2 O9 S Si2 -","- C280 H504 N16 O72 S8 Si16 -","8","2","","Andrea Guerrini; Greta Varchi; Arturo Battaglia","Stereoselective One-Pot Synthesis of Constrained N,O-Orthogonally Protected C-Glycosyl Norstatines [C(1')-Aminoglycosyl-1,3-dioxolan-4-ones]","Journal of Organic Chemistry","2006","71","","6785","6795","10.1021/jo0608164","","","0.71073","MoKα","","0.2846","0.0927","","","0.2114","0.3167","","","","","","0.965","","","","has coordinates,has disorder","178397","2020-10-21","18:00:00",""
"4021941","11.195","0.003","15.666","0.006","9.728","0.003","90","0","90","0","90","0","1706.1","0.9","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,4S,4aR,5R,6S,7S,8aR)-1-Methoxy-4-methoxymethoxy-1,5,7,8a-tetramethyl- 4a,5,6,7,8,8a-hexahydroisochroman-6-ol","","- C16 H30 O5 -","- C16 H30 O5 -","- C64 H120 O20 -","4","1","","Asano, Moriteru; Inoue, Munenori; Watanabe, Kazuhiro; Abe, Hideki; Katoh, Tadashi","Synthetic Studies toward GKK1032s, Novel Antibiotic Antitumor Agents: Enantioselective Synthesis of the Fully Elaborated Tricyclic Core via an Intramolecular Diels-Alder Cycloaddition","Journal of Organic Chemistry","2006","71","18","6942","6951","10.1021/jo0610208","","","1.54178","CuK-alpha","","","0.0396","","","0.0477","","","","","2.3986","2.3986","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4021944","6.7943","0.0013","8.718","0.003","11.059","0.004","90","","90","","90","","655.1","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 F N O3 P -","- C4 H9 F N O3 P -","- C16 H36 F4 N4 O12 P4 -","4","1","","María C. Fernández; Aniana Díaz; Juan J. Guillín; Olga Blanco; María Ruiz; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Electrophilic Substitution and Tin-Peterson Olefination of Bis-lactim Ethers Derived from cyclo-[L-AP4-D-Val]","Journal of Organic Chemistry","2006","71","","6958","6974","10.1021/jo061072x","","","0.71073","MoKα","","0.0258","0.0234","","0.0638","0.0627","","","","1.066","1.08","1.08","","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4021963","10.47","0.0013","15.561","0.002","22.835","0.003","90","","90","","90","","3720.3","0.9","293.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl N2 P Pd -","- C40 H38 Cl N2 P Pd -","- C160 H152 Cl4 N8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.056","","","","0.074","","","","","","5.223","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021964","9.24","0.001","14.715","0.002","27.222","0.004","90","","90","","90","","3701.4","0.8","293.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Cl F3 N2 P Pd -","- C37 H35 Cl F3 N2 P Pd -","- C148 H140 Cl4 F12 N8 P4 Pd4 -","4","1","","Takashi Mino; Youichi Tanaka; Youtaro Hattori; Toshihiro Yabusaki; Hiroaki Saotome; Masami Sakamoto; Tsutomu Fujita","Synthesis and Optical Resolution of Aminophosphines with Axially Chiral C(aryl)-N(amine) Bonds for Use as Ligands in Asymmetric Catalysis","Journal of Organic Chemistry","2006","71","","7346","7353","10.1021/jo061261f","","","0.7107","MoKα","","","0.065","","","","0.086","","","","","","6.493","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4021971","7.2646","0.0008","11.5316","0.0012","19.383","0.002","90","","90","","90","","1623.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Fe N O -","- C18 H25 Fe N O -","- C72 H100 Fe4 N4 O4 -","4","1","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0309","0.0297","","","0.0735","0.0743","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4021973","8.5492","0.0011","17.527","0.002","28.923","0.004","90","","90","","90","","4333.9","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Fe N O -","- C28 H29 Fe N O -","- C224 H232 Fe8 N8 O8 -","8","2","","Theresa Ahern; Helge Müller-Bunz; Patrick J. Guiry","The Synthesis of N,O-Ferrocenyl Pyrrolidine-Containing Ligands and Their Application in the Diethyl- and Diphenylzinc Addition to Aromatic Aldehydes","Journal of Organic Chemistry","2006","71","","7596","7602","10.1021/jo060894r","","","0.71073","MoKα","","0.0304","0.0286","","","0.0671","0.068","","","","","","1.079","","","","has coordinates","178397","2020-10-21","18:00:00",""
"4022009","10.849","0.005","16.398","0.003","9.71","0.006","90","","90","","90","","1727.5","1.3","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Weimin Lin; Nancy Tryder; Fan Su; Charles K. Zercher; Jerry P. Jasinski; Ray J. Butcher","Stereocontrolled Formation of Ketomethylene Isosteres through Tandem Chain Extension Reactions","Journal of Organic Chemistry","2006","71","","8140","8145","10.1021/jo061184o","","","0.71069","MoKα","","","0.0506","","","","0.2045","","","","","","0.995","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022023","7.1422","0.0003","11.0909","0.0004","21.2039","0.0007","90","","90","","90","","1679.63","0.11","220","2","220","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","Methyl aceric acid dimer","Dimethyl (2S,3R,3aS,4aS,6S,7R,7aS,8aS)-3,7-dihydroxy-2,6-dimethyl- hexahydro-1,4,5,8-tetraoxa-s-indacene-3,7-dicarboxylate","","- C14 H22 O11 -","- C14 H22 O11 -","- C56 H88 O44 -","4","1","","Mattie S. M. Timmer; Bridget L. Stocker; Peter H. Seeberger","De Novo Synthesis of Aceric Acid and an Aceric Acid Building Block","Journal of Organic Chemistry","2006","71","","8294","8297","10.1021/jo061607m","","","0.7107","MoKα","","0.0372","0.0323","","","0.0816","0.0849","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022024","5.4985","0.0007","13.2676","0.0011","20.6881","0.0013","90","","90","","90","","1509.2","0.2","220","2","220","2","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","Methyl 4-epi-aceric acid diethyl dithio acetal","5-deoxy-3-C-methoxycarbonyl-D-arabinose diethyl dithio acetal","","- C11 H22 O5 S2 -","- C11 H22 O5 S2 -","- C44 H88 O20 S8 -","4","1","","Mattie S. M. Timmer; Bridget L. Stocker; Peter H. Seeberger","De Novo Synthesis of Aceric Acid and an Aceric Acid Building Block","Journal of Organic Chemistry","2006","71","","8294","8297","10.1021/jo061607m","","","0.7107","MoKα","","0.0863","0.0576","","","0.1211","0.1362","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022025","8.2354","0.0002","15.8639","0.0004","28.4689","0.0008","90","","90","","90","","3719.34","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 N2 O6 -","- C40 H48 N2 O6 -","- C160 H192 N8 O24 -","4","1","","Paul R. Blakemore; Colin Kilner; Selena D. Milicevic","Resolution, Enantiomerization Kinetics, and Chiroptical Properties of 7,7'-Dihydroxy-8,8'-biquinolyl","Journal of Organic Chemistry","2006","71","","8212","8218","10.1021/jo061608e","","x-ray","0.71073","MoKα","","0.0848","0.0527","","","0.1101","0.1266","","","","","","1.086","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022051","8.161","0.003","10.241","0.004","34.89","0.012","90","","90","","90","","2916","1.9","108","2","108","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 N3 O5 -","- C30 H39 N3 O5 -","- C120 H156 N12 O20 -","4","1","","Takashi Emura; Toru Esaki; Kazutaka Tachibana; Makoto Shimizu","Efficient Asymmetric Synthesis of Novel Gastrin Receptor Antagonist AG-041R via Highly Stereoselective Alkylation of Oxindole Enolates","Journal of Organic Chemistry","2006","71","","8559","8564","10.1021/jo061541v","","","0.7","","","0.0409","0.0407","","","0.1058","0.1062","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022056","7.3361","0.0007","16.6477","0.0014","18.7004","0.0015","90","","90","","90","","2283.9","0.3","120","2","120","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","4-(Buta-1,3-diynyl)-1,1'-biphenyl","","- C16 H10 -","- C16 H10 -","- C128 H80 -","8","2","","Kara West; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce","Are Terminal Aryl Butadiynes Stable? Synthesis and X-ray Crystal Structures of a Series of Aryl- and Heteroaryl-butadiynes (Ar-C\τbC-C\τbC-H)","Journal of Organic Chemistry","2006","71","","8541","8544","10.1021/jo0615697","","","0.71073","MoKα","","0.0778","0.0532","","","0.0921","0.099","","","","","","1.086","","","","has coordinates","277840","2022-09-14","18:33:59",""
"4022061","10.1891","0.001","12.4256","0.0011","17.2441","0.0017","90","","90","","90","","2183.2","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05140a","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Michael R. Tracey; Jossian Oppenheimer; Richard P. Hsung","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloadditions of Ynamides in the Synthesis of Amide-Substituted Chiral Biaryls","Journal of Organic Chemistry","2006","71","","8629","8632","10.1021/jo061683p","","","0.71073","MoKα","","0.0422","0.0316","","","0.0679","0.0737","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022062","10.6366","0.0009","13.009","0.0011","15.8176","0.0013","90","","90","","90","","2188.7","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05183a","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Michael R. Tracey; Jossian Oppenheimer; Richard P. Hsung","Rhodium(I)-Catalyzed [2 + 2 + 2] Cycloadditions of Ynamides in the Synthesis of Amide-Substituted Chiral Biaryls","Journal of Organic Chemistry","2006","71","","8629","8632","10.1021/jo061683p","","","0.71073","MoKα","","0.0451","0.0327","","","0.0738","0.0829","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022083","6.777","0.003","16.509","0.007","24.731","0.01","90","","90","","90","","2767","1.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 N O2 Se -","- C29 H41 N O2 Se -","- C116 H164 N4 O8 Se4 -","4","1","","Rafael Pedrosa; Celia Andrés; Pilar Mendiguchía; Javier Nieto","Diastereoselective Synthesis of Enantiopure Morpholines by Electrophilic Selenium-Induced 6-exo Cyclizations on Chiral 3-Allyl-2-hydroxymethylperhydro-1,3-benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","8854","8863","10.1021/jo061547k","","","0.71073","MoKα","","0.0435","0.0289","","","0.0566","0.0595","","","","","","0.917","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022084","6.0619","0.0009","15.504","0.002","29.274","0.004","90","","90","","90","","2751.4","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N O2 Se -","- C30 H41 N O2 Se -","- C120 H164 N4 O8 Se4 -","4","1","","Rafael Pedrosa; Celia Andrés; Pilar Mendiguchía; Javier Nieto","Diastereoselective Synthesis of Enantiopure Morpholines by Electrophilic Selenium-Induced 6-exo Cyclizations on Chiral 3-Allyl-2-hydroxymethylperhydro-1,3-benzoxazine Derivatives","Journal of Organic Chemistry","2006","71","","8854","8863","10.1021/jo061547k","","","0.71073","MoKα","","0.0493","0.0361","","","0.0844","0.0911","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022087","7.2562","0.0011","11.261","0.002","20.674","0.003","90","","90","","90","","1689.3","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F2 N6 O3 -","- C16 H16 F2 N6 O3 -","- C64 H64 F8 N24 O12 -","4","1","","Ireneusz Nowak; Morris J. Robins","Addition of Difluorocarbene to 4',5'-Unsaturated Nucleosides: Synthesis and Deoxygenation Reactions of Difluorospirocyclopropane Nucleosides","Journal of Organic Chemistry","2006","71","","8876","8883","10.1021/jo061606u","","","0.71073","MoKα","","0.0726","0.048","","","0.1008","0.1118","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022110","8.253","0.003","9.57","0.003","18.751","0.006","90","","90","","90","","1481.1","0.9","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 O4 P -","- C15 H19 O4 P -","- C60 H76 O16 P4 -","4","1","","Manab Chakravarty; K. C. Kumara Swamy","Palladium-Catalyzed Coupling of Allenylphosphonates, Phenylallenes, and Allenyl Esters: Remarkable Salt Effect and Routes to Novel Benzofurans and Isocoumarins","Journal of Organic Chemistry","2006","71","","9128","9138","10.1021/jo061525y","","","0.71073","MoKα","","0.0497","0.0424","","","0.0904","0.0933","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022123","7.8188","0.0008","19.673","0.002","33.422","0.004","90","","90","","90","","5141","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Br N4 O3 -","- C27 H27 Br N4 O3 -","- C216 H216 Br8 N32 O24 -","8","2","","Saumen Hajra; Manishabrata Bhowmick; Debarshi Sinha","Highly Regio- and Stereoselective Asymmetric Bromoazidation of Chiral α,β-Unsaturated Carboxylic Acid Derivatives: Scope and Limitations","Journal of Organic Chemistry","2006","71","","9237","9240","10.1021/jo061593k","","","0.71073","MoKα","","0.1378","0.0479","","","0.1076","0.1322","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022131","8.3084","0.0002","9.5793","0.0002","35.8757","0.001","90","","90","","90","","2855.3","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 N2 O9 -","- C28 H38 N2 O9 -","- C112 H152 N8 O36 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0471","0.032","","","0.0653","0.0828","","","","","","1.176","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022137","9.9162","0.0003","10.3086","0.0003","24.762","0.001","90","","90","","90","","2531.22","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N2 O4 S2 -","- C24 H34 N2 O4 S2 -","- C96 H136 N8 O16 S8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0818","0.0451","","","0.0732","0.0817","","","","","","0.98","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022138","6.0048","0.0003","14.5084","0.001","25.355","0.002","90","","90","","90","","2209","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 N2 O2 -","- C24 H28 Cl2 N2 O2 -","- C96 H112 Cl8 N8 O8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0905","0.0495","","","0.0877","0.0992","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022139","9.9193","0.0002","10.3077","0.0002","24.8012","0.0008","90","","90","","90","","2535.8","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N2 O4 S2 -","- C24 H34 N2 O4 S2 -","- C96 H136 N8 O16 S8 -","4","1","","Albrecht Berkessel; Katrin Roland; Michael Schröder; Jörg M. Neudörfl; Johann Lex","Enantiomerically Pure Isophorone Diamine [3-(Aminomethyl)-3,5,5-trimethylcyclohexylamine]: A Chiral 1,4-Diamine Building Block Made Available on Large Scale","Journal of Organic Chemistry","2006","71","","9312","9318","10.1021/jo0613737","","","0.71073","MoKα","","0.0656","0.043","","","0.0807","0.0872","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022173","16.2321","0.0003","17.8126","0.0004","18.5205","0.0004","90","","90","","90","","5354.94","0.19","150","2","150","2","","","","","","","synthetised","6","P 21 21 21","P 2ac 2ab","19","","(S~Fc~,S~S~)-2-(N-tosyl-1-amino-2,2-dimethylpropyl)-1-t-butylsulfinyl ferrocene","","- C26 H35 Fe N O3 S2 -","- C26 H35 Fe N O3 S2 -","- C208 H280 Fe8 N8 O24 S16 -","8","2","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0571","0.0349","","","0.0887","0.1121","","","","","","1.139","","","","has coordinates,has disorder","277840","2022-09-14","18:34:00",""
"4022174","17.7483","0.0014","19.5715","0.0016","22.6086","0.0018","90","","90","","90","","7853.3","1.1","150","2","150","2","","","","","","","synthetised","6","P 21 21 21","P 2ac 2ab","19","","(S~Fc~,S~S~,S)-2-(N-carbamoyl-1-amino-1-phenyl)-1-t-butylsulfinylferrocene","","- C26 H33 Fe N O3 S -","- C26 H33 Fe N O3 S -","- C312 H396 Fe12 N12 O36 S12 -","12","3","","Guillaume Grach; Jana Sopkova-de Oliveira Santos; Jean-François Lohier; Ljubica Mojovic; Nelly Plé; Alain Turck; Vincent Reboul; Patrick Metzner","Diastereoselective Addition of Enantiopure Lithium tert-Butylsulfinylferrocene to Imines","Journal of Organic Chemistry","2006","71","","9572","9579","10.1021/jo061360t","","","0.71073","MoKα","","0.0496","0.032","","","0.0717","0.0855","","","","","","1.08","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022178","8.2698","0.0008","14.1014","0.0014","14.9278","0.0014","90","","90","","90","","1740.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 Cr N2 O6 -","- C18 H10 Cr N2 O6 -","- C72 H40 Cr4 N8 O24 -","4","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0643","0.0442","","","0.0829","0.0886","","","","","","0.841","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022179","7.4595","0.001","11.6192","0.0016","23.142","0.003","90","","90","","90","","2005.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 N2 O6 W -","- C21 H14 N2 O6 W -","- C84 H56 N8 O24 W4 -","4","1","","Zhaoyan Zheng; Zhengkun Yu; Ning Luo; Xiuwen Han","Tautomerism-Dependent Ring Construction of N-Heterocyclic Compounds from the Reactions of 1-Alkynyl Fischer Carbene Complexes and Substituted Pyrazolinones","Journal of Organic Chemistry","2006","71","","9695","9700","10.1021/jo061725+","","","0.71073","MoKα","","0.0632","0.0489","","","0.1032","0.1082","","","","","","0.936","","","","has coordinates","178399","2020-10-21","18:00:00",""
"4022192","10.2853","0.0006","12.4634","0.0007","25.1743","0.0014","90","","90","","90","","3227.1","0.3","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O7 S2 -","- C25 H37 N O7 S2 -","- C100 H148 N4 O28 S8 -","4","1","","Stephen Hanessian; Dougal J. Ritson","Structure-Based Organic Synthesis of a Tricyclic N-Malayamycin Analogue","Journal of Organic Chemistry","2006","71","","9807","9817","10.1021/jo061904r","","","1.54178","CuKα","","0.0674","0.0635","","","0.1627","0.1727","","","","","","1.036","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022193","7.0629","0.0003","13.3419","0.0005","31.0227","0.0011","90","","90","","90","","2923.3","0.2","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 N4 O9 S -","- C25 H38 N4 O9 S -","- C100 H152 N16 O36 S4 -","4","1","","Stephen Hanessian; Dougal J. Ritson","Structure-Based Organic Synthesis of a Tricyclic N-Malayamycin Analogue","Journal of Organic Chemistry","2006","71","","9807","9817","10.1021/jo061904r","","","1.54178","CuKα","","0.0545","0.0459","","","0.1198","0.1276","","","","","","1.05","","","","has coordinates","277840","2022-09-14","18:34:00",""
"4022195","7.3016","0.001","8.4264","0.0012","30.356","0.004","90","","90","","90","","1867.7","0.5","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(-)-Dibromodihydroarnottin II","","","- C20 H14 Br2 O7 -","- C20 H14 Br2 O7 -","- C80 H56 Br8 O28 -","4","1","","Fujiko Konno; Tsutomu Ishikawa; Masatoshi Kawahata; Kentaro Yamaguchi","Concise Synthesis of Arnottin I and (-)-Arnottin II","Journal of Organic Chemistry","2006","71","","9818","9823","10.1021/jo061905j","","","0.71073","MoKα","","0.0693","0.0551","","","0.1428","0.1547","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022196","8.49","0.005","11.316","0.005","30.145","0.017","90","","90","","90","","2896","3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 F3 O3 -","- C13 H19 F3 O3 -","- C104 H152 F24 O24 -","8","2","","Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg","Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization","Journal of Organic Chemistry","2006","71","","9751","9764","10.1021/jo062023n","","","0.71073","MoKα","","0.0798","0.0605","","","0.1345","0.1452","","","","","","1.147","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022198","12.7643","0.0015","14.9692","0.0017","22.258","0.003","90","","90","","90","","4253","0.8","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 Cl6 P2 Pt -","- C46 H36 Cl6 P2 Pt -","- C184 H144 Cl24 P8 Pt4 -","4","1","","Simon Doherty; Julian G. Knight; Catherine H. Smyth; Ross W. Harrington; William Clegg","Asymmetric Platinum Group Metal-Catalyzed Carbonyl-Ene Reactions: Carbon-Carbon Bond Formation versus Isomerization","Journal of Organic Chemistry","2006","71","","9751","9764","10.1021/jo062023n","","","0.71073","MoKα","","0.0317","0.0267","","","0.054","0.0555","","","","","","1.103","","","","has coordinates,has disorder","178399","2020-10-21","18:00:00",""
"4022205","18.219","0.003","20.086","0.004","10.365","0.002","90","","90","","90","","3792","1","20","","20","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","?","- C152 H152 F24 Fe4 N4 O4 Pd4 S4 Sb4 -","- C152 H152 F24 Fe4 N4 O4 Pd4 S4 Sb4 -","","","","Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia","Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2002","67","","4684","4695","10.1021/jo016330z","","","0.7107","MoKalpha","","","0.036","","","0.039","","","","","1.23","1.23","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022207","14.431","0.004","22.102","0.003","12.957","0.005","90","","90","","90","","4132","1","20","","20","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","?","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","","","","Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia","Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2002","67","","4684","4695","10.1021/jo016330z","","","0.7107","MoKalpha","","","0.043","","","0.045","","","","","1.16","1.16","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022208","14.561","0.007","25.551","0.004","10.929","0.005","90","","90","","90","","4066","2","20","","20","","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","?","- C164 H148 Cl8 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","- C164 H148 Cl8 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","","","","Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia","Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2002","67","","4684","4695","10.1021/jo016330z","","","0.7107","MoKalpha","","","0.049","","","0.05","","","","","1.32","1.32","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022211","6.2571","0.0003","12.9524","0.0011","16.9737","0.0014","90","","90","","90","","1375.62","0.18","293","2","293","2","","","","","","","Hitchcock Laboratory","4","P 21 21 21","P 2ac 2ab","19","","(5S,6R)-4,5-dimethyl-6-phenyl-3-propionyl-2H-1,3,4-oxadiazin-2-one","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","","David M. Casper; Jennifer R. Blackburn; Christopher D. Maroules; Tana Brady; Joel M. Esken; Gregory M. Ferrence; Jean M. Standard; Shawn R. Hitchcock","Conformational Studies of N~3~-Substituted [1,3,4]-Oxadiazinan-2-ones","Journal of Organic Chemistry","2002","67","","8871","8876","10.1021/jo020322g","","x-ray","0.71073","MoKα","","0.0393","0.0318","","","0.0841","0.0883","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022221","5.9093","0.0006","16.6299","0.0016","18.9066","0.0019","90","","90","","90","","1858","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C80 H92 N4 O16 S4 -","4","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.0288","0.0265","","","0.0711","0.0717","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022225","14.808","0.001","15.348","0.001","11.096","0.001","90","","90","","90","","2521.8","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[(2R)-Thiophenyl-2-allyl-phenylacetyl] (1S)-camphorsultam","","- C27 H31 N O3 S2 -","- C27 H31 N O3 S2 -","- C108 H124 N4 O12 S8 -","4","1","","Xiaomei Zhang; Zhaohui Qu; Zhihua Ma; Weifeng Shi; Xianglin Jin; Jianbo Wang","Catalytic Asymmetric [2,3]-Sigmatropic Rearrangement of Sulfur Ylides Generated from Copper(I) Carbenoids and Allyl Sulfides","Journal of Organic Chemistry","2002","67","","5621","5625","10.1021/jo025687f","","","0.71073","MoKα","","0.0501","0.0303","","","0.039","0.0416","","","","","","0.699","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022238","10.3083","0.0002","13.9659","0.0002","17.4765","0.0004","90","","90","","90","","2516","0.08","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N2 O8 S2 -","- C26 H22 N2 O8 S2 -","- C104 H88 N8 O32 S8 -","4","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.048","0.0373","","","0.0861","0.0927","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022246","5.978","0.0004","10.568","0.0008","27.154","0.002","90","","90","","90","","1715.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acylated-piperidin-2-one","di(tert-butyl)-(2S)-6-oxotetrahydro-1,2(2H)-pyridinedicarboxylate","","- C15 H25 N O5 -","- C15 H25 N O5 -","- C60 H100 N4 O20 -","4","1","","J. Marin; C. Didierjean; A. Aubry; J.-P. Briand; G. Guichard","Diastereoselective Hydroxylation of 6-Substituted Piperidin-2-ones. An Efficient Synthesis of (2S,5R)-5-Hydroxylysine and Related α-Amino Acids","Journal of Organic Chemistry","2002","67","","8440","8449","10.1021/jo025950c","","","0.7107","MoKα","","0.0867","0.0629","","","0.1677","0.1905","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022247","8.616","0.0002","11.688","0.0003","17.157","0.0004","90","","90","","90","","1727.78","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acylated-3-hydroxylated piperidin-2-one","di(tert-butyl)-(2S,5R)-5-hydroxy-6-oxotetrahydro-1,2(2H)-pyridinedicarboxylate","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C60 H100 N4 O24 -","4","1","","J. Marin; C. Didierjean; A. Aubry; J.-P. Briand; G. Guichard","Diastereoselective Hydroxylation of 6-Substituted Piperidin-2-ones. An Efficient Synthesis of (2S,5R)-5-Hydroxylysine and Related α-Amino Acids","Journal of Organic Chemistry","2002","67","","8440","8449","10.1021/jo025950c","","","0.7107","MoKα","","0.0657","0.0424","","","0.1065","0.1202","","","","","","0.955","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022254","10.863","0.003","16.517","0.003","10.313","0.003","90","","90","","90","","1850.4","0.7","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 Cl3 N O3 -","- C15 H24 Cl3 N O3 -","- C60 H96 Cl12 N4 O12 -","4","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.1092","0.0756","","0.0474","0.0458","","","","2.572","2.903","2.903","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022258","12.947","0.006","20.304","0.004","8.817","0.004","90","","90","","90","","2317","1","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O11 S -","- C20 H24 O11 S -","- C80 H96 O44 S4 -","4","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.0748","0.0489","","0.0409","0.0387","","","","1.826","1.971","1.971","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022268","6.439","0.002","7.68","0.002","20.619","0.005","90","","90","","90","","1019.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 F N O3 -","- C10 H14 F N O3 -","- C40 H56 F4 N4 O12 -","4","1","","Alan Armstrong; Ghafoor Ahmed; Belén Domínguez-Fernández; Barry R. Hayter; J. Steven Wailes","Enantioselective Epoxidation of Alkenes Catalyzed by 2-Fluoro-N-Carbethoxytropinone and Related Tropinone Derivatives","Journal of Organic Chemistry","2002","67","","8610","8617","10.1021/jo026322y","","","0.71073","MoKα","","0.0324","0.0296","","","0.0763","0.0789","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022273","11.72","0.005","14.66","0.004","6.647","0.004","90","","90","","90","","1142.1","0.9","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","?","- C40 H68 I4 O8 -","- C40 H68 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.046","","","0.058","","","","","1.78","1.78","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022278","8.787","0.002","10.58","0.001","21.09","0.003","90","","90","","90","","1960.8","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Christophe Lucatelli; Florian Viton; Yves Gimbert; Andrew E. Greene","Synthesis of C-3' Methyl Taxotere (Docetaxel)","Journal of Organic Chemistry","2002","67","","9468","9470","10.1021/jo026460n","","","1.5418","CuKα","","0.044","0.044","","0.0468","","0.0468","","","1.887","","","1.887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022286","5.7703","0.0004","13.323","0.001","15.976","0.001","90","","90","","90","","1228.2","0.2","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O3 S2 -","- C10 H14 N2 O3 S2 -","- C40 H56 N8 O12 S8 -","4","1","","Jun-ya Chiba; Kentaro Tanaka; Yukinori Ohshiro; Ryosuke Miyake; Shuichi Hiraoka; Motoo Shiro; Mitsuhiko Shionoya","Artificial Nucleosides Possessing Metal Binding Sites at the 3'- and 5'-Positions of the Deoxyribose Moieties","Journal of Organic Chemistry","2003","68","","331","338","10.1021/jo026026l","","","0.7107","MoKα","","","0.0542","","","","0.1155","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022287","4.7794","0.0004","12.872","0.002","39.978","0.003","90","","90","","90","","2459.5","0.4","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N4 O7 S4 -","- C22 H18 N4 O7 S4 -","- C88 H72 N16 O28 S16 -","4","1","","Jun-ya Chiba; Kentaro Tanaka; Yukinori Ohshiro; Ryosuke Miyake; Shuichi Hiraoka; Motoo Shiro; Mitsuhiko Shionoya","Artificial Nucleosides Possessing Metal Binding Sites at the 3'- and 5'-Positions of the Deoxyribose Moieties","Journal of Organic Chemistry","2003","68","","331","338","10.1021/jo026026l","","","0.7107","MoKα","","","0.0632","","","","0.162","","","","","","1.113","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022288","5.632","0.006","9","0.01","36.57","0.03","90","","90","","90","","1854","3","103.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N3 O5 S -","- C20 H21 N3 O5 S -","- C80 H84 N12 O20 S4 -","4","1","","Jun-ya Chiba; Kentaro Tanaka; Yukinori Ohshiro; Ryosuke Miyake; Shuichi Hiraoka; Motoo Shiro; Mitsuhiko Shionoya","Artificial Nucleosides Possessing Metal Binding Sites at the 3'- and 5'-Positions of the Deoxyribose Moieties","Journal of Organic Chemistry","2003","68","","331","338","10.1021/jo026026l","","","0.7107","MoKα","","","0.1086","","","","0.2433","","","","","","1.193","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022292","7.8193","0.0005","11.7104","0.0008","12.2984","0.0008","90","","90","","90","","1126.13","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Peng-Fei Xu; Ta-Jung Lu","Selective Synthesis of Either Enantiomer of α-Amino Acids by Switching the Regiochemistry of the Tricyclic Iminolactones Prepared from a Single Chiral Source","Journal of Organic Chemistry","2003","68","","658","661","10.1021/jo026285a","","","0.71073","MoKα","","0.0382","0.0357","","","0.1198","0.1235","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022293","6.8762","0.0006","9.0279","0.0007","21.8378","0.0018","90","","90","","90","","1355.64","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","","Peng-Fei Xu; Ta-Jung Lu","Selective Synthesis of Either Enantiomer of α-Amino Acids by Switching the Regiochemistry of the Tricyclic Iminolactones Prepared from a Single Chiral Source","Journal of Organic Chemistry","2003","68","","658","661","10.1021/jo026285a","","","0.71073","MoKα","","0.0559","0.0477","","","0.1472","0.1544","","","","","","1.159","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022294","8.5662","0.0015","10.8187","0.0019","16.598","0.003","90","","90","","90","","1538.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Peng-Fei Xu; Ta-Jung Lu","Selective Synthesis of Either Enantiomer of α-Amino Acids by Switching the Regiochemistry of the Tricyclic Iminolactones Prepared from a Single Chiral Source","Journal of Organic Chemistry","2003","68","","658","661","10.1021/jo026285a","","","0.71073","MoKα","","0.0776","0.0523","","","0.1416","0.159","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022298","9.4397","0.0001","11.8345","0.0002","15.6919","0.0003","90","","90","","90","","1753.01","0.05","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 S2 -","- C16 H23 N O2 S2 -","- C64 H92 N4 O8 S8 -","4","1","","Calum Macleod; Gordon J. McKiernan; Emma J. Guthrie; Louis J. Farrugia; Dieter W. Hamprecht; Jackie Macritchie; Richard C. Hartley","Synthesis of 2-Substituted Benzofurans and Indoles Using Functionalized Titanium Benzylidene Reagents on Solid Phase","Journal of Organic Chemistry","2003","68","","387","401","10.1021/jo026384o","","x-ray","0.71073","MoKα","","0.0413","0.0323","","","0.0646","0.0677","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022308","9.999","0.003","10.016","0.008","13.119","0.003","90","","90","","90","","1313.9","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,4S,5S)-5-methyl-4-pivaloyloxymethyl-3-oxabicyclo[3.2.0] hept-6-en-2-one","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Ramon Alibés; Pedro de March; Marta Figueredo; Josep Font; Xiaolin Fu; Marta Racamonde; Ángel Álvarez-Larena; Juan F. Piniella","Photochemical [2 + 2] Cycloaddition of Acetylene to Chiral 2(5H)-Furanones","Journal of Organic Chemistry","2003","68","","1283","1289","10.1021/jo0264731","","","0.71069","MoKα","","0.0428","0.0349","","","0.0971","0.0992","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022315","14.592","0.001","14.909","0.001","11.28","0.001","90","0.01","90","0.01","90","0.01","2453.99","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C112 H80 N32 -","8","2","","Michael H. Howard; Victor Alexander; William J. Marshall; D. Christopher Roe; Ya-Jun Zheng","Reaction of 2,2-Bis(trifluoromethyl)-1,1-dicyanoethylene with 6,6-Dimethylfulvene: Cycloadditions and a Rearrangement","Journal of Organic Chemistry","2003","68","","120","129","10.1021/jo0265333","","","","","","","4.77","","","5.09","","","","","2.49","2.49","","","","","has coordinates","178401","2020-10-21","18:00:00",""
"4022326","12.774","0.003","21.13","0.005","7.766","0.003","90","","90","","90","","2096","1","298","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Masami Sakamoto; Takuya Iwamoto; Naoyuki Nono; Masaru Ando; Wataru Arai; Takashi Mino; Tsutomu Fujita","Memory of Chirality Generated by Spontaneous Crystallization and Asymmetric Synthesis Using the Frozen Chirality","Journal of Organic Chemistry","2003","68","","942","946","10.1021/jo0266689","","","1.54178","CuKα","","0.083","0.057","","0.073","0.073","0.073","","","2.605","2.534","2.534","2.534","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022330","6.3172","0.0006","13.184","0.002","16.313","0.001","90","","90","","90","","1358.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,1'S,2R,2'R,4S,4'S,5R,5'R)-4,4'-bis[2-methyl-3,6-dioxabicyclo[3.2.1] octan-7-one]","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Pedro de March; Marta Figueredo; Josep Font; Javier Raya; Ángel Álvarez-Larena; Juan F. Piniella","C2-Symmetric Enantiopure Ethanotethered Bis(α,β-butenolides) as Templates for Asymmetric Synthesis. Application to the Synthesis of (+)-Grandisol","Journal of Organic Chemistry","2003","68","","2437","2447","10.1021/jo026705w","","","0.71069","MoKα","","0.0548","0.0477","","","0.1578","0.1616","","","","","","1.193","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022331","7.483","0.002","11.221","0.003","25.339","0.005","90","","90","","90","","2127.6","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,4R,5S,6R,6aS)-5,6-bis(trimethylsilyloxy)-3a,5,6,6a-tetrahydrospiro [cyclopenta[b]furo-4(5H),2'(5'H)-furan]-2(3H),5'-dione","","- C16 H26 O6 Si2 -","- C16 H26 O6 Si2 -","- C64 H104 O24 Si8 -","4","1","","Pedro de March; Marta Figueredo; Josep Font; Javier Raya; Ángel Álvarez-Larena; Juan F. Piniella","C2-Symmetric Enantiopure Ethanotethered Bis(α,β-butenolides) as Templates for Asymmetric Synthesis. Application to the Synthesis of (+)-Grandisol","Journal of Organic Chemistry","2003","68","","2437","2447","10.1021/jo026705w","single crystal","","0.71069","MoKα","","0.12","0.1037","","","0.2433","0.2496","","","","","","1.131","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022371","12.2964","0.0012","18.7203","0.0018","20.581","0.002","90","","90","","90","","4737.6","0.8","190","2","190","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H67 N4 O11 P Si2 -","- C39.2 H67.6 N4 O10.8 P Si2 -","- C156.8 H270.4 N16 O43.2 P4 Si8 -","4","1","","Xuemei Chen; David F. Wiemer","Synthesis of 5'-Amino-5'-phosphonate Analogues of Pyrimidine Nucleoside Monophosphates","Journal of Organic Chemistry","2003","68","","6108","6114","10.1021/jo030050x","","","0.71073","MoKα","","0.099","0.0605","","","0.1169","0.1338","","","","","","1.064","","","","has coordinates,has disorder","178401","2020-10-21","18:00:00",""
"4022376","9.2085","0.0017","13.517","0.003","15.355","0.004","90","","90","","90","","1911.3","0.7","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O -","- C24 H24 O -","- C96 H96 O4 -","4","1","","Ming-Shyong Yang; Shyue-Sheng Lu; Chitneni Prasad Rao; Yow-Fu Tsai; Chun-Chen Liao","Photochemistry of Bicyclo[2.2.2]oct-7-ene-2,5-diones and the Corresponding 5-Hydroxyimino and 5-Methylene Derivatives","Journal of Organic Chemistry","2003","68","","6543","6553","10.1021/jo0301191","","","1.5418","CuKα","","0.0544","0.0496","","","0.1446","0.1518","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022378","4.825","0.0002","10.766","0.0004","29.502","0.0011","90","","90","","90","","1532.51","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","spiro","1-benzyl-7-methyl-2-phenyl-1,5,6-triazaspiro[2,4]hepta-1,6-dien-4-one","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Wolfgang Holzer; Rosa M. Claramunt; Marta Pérez-Torralba; Davide Guggi; Thomas H. Brehmer","Spiro-fused (C2)-Azirino-(C4)-Pyrazolones - a New Heterocyclic System, Synthesis, Spectroscopic Studies and X-Ray Structure Analysis","Journal of Organic Chemistry","2003","68","","7943","7950","10.1021/jo030131t","","","0.7107","MoKα","","0.0567","0.0404","","","0.0781","0.0832","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022394","10.319","0.003","12.142","0.006","14.861","0.005","90","","90","","90","","1862","1","273.2","","273.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","1","","Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa","Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava","Journal of Organic Chemistry","2003","68","","3831","3837","10.1021/jo0340049","","","0.7107","MoKα","","0.0476","0.0476","","0.056","","0.056","","","1.611","","","1.611","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022395","11.691","0.003","11.75","0.002","12.767","0.003","90","","90","","90","","1753.8","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C76 H112 O16 -","4","1","","Amaury Patin; Alice Kanazawa; Christian Philouze; Andrew E. Greene; Estela Muri; Eliezer Barreiro; Paulo C. C. Costa","Highly Stereocontrolled Synthesis of Natural Barbacenic Acid, Novel Bisnorditerpene from Barbacenia flava","Journal of Organic Chemistry","2003","68","","3831","3837","10.1021/jo0340049","","","1.5418","CuKα","","0.0644","0.0644","","0.1023","","0.1023","","","1.992","","","1.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022406","10.2553","0.001","12.0818","0.0012","15.6891","0.0015","90","","90","","90","","1943.9","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N O4 -","- C18 H33 N O4 -","- C72 H132 N4 O16 -","4","1","","Neal A. Yakelis; William R. Roush","Synthesis of the C(21)-C(26) Fragment of Superstolide A: Concerning the Stereochemistry of (E)-Crotylboration Reactions of Alaninal Derivatives","Journal of Organic Chemistry","2003","68","","3838","3843","10.1021/jo0341012","","","0.71073","MoKα","","0.0362","0.0323","","","0.0788","0.0816","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022409","11.096","0.003","40.91","0.02","9.121","0.002","90","","90","","90","","4140","2","243.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cis,trans-[1.1](3,3')-Azobenzenophane","","","- C26 H20 N4 -","- C26 H20 N4 -","- C208 H160 N32 -","8","2","","Yasuo Norikane; Kogorou Kitamoto; Nobuyuki Tamaoki","Novel Crystal Structure, Cis-Trans Isomerization, and Host Property of Meta-Substituted Macrocyclic Azobenzenes with the Shortest Linkers","Journal of Organic Chemistry","2003","68","","8291","8304","10.1021/jo0341160","","","0.7107","MoKα","","","0.0436","","","","0.1541","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022419","7.517","0.001","15.096","0.002","20.836","0.002","90","","90","","90","","2364.4","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","kp118","","- C28 H22 Cl N3 O2 S -","- C28 H22 Cl N3 O2 S -","- C112 H88 Cl4 N12 O8 S4 -","4","1","","Zsuzsanna Riedl; Péter Kövér; György Hajós; Orsolya Egyed; László Fábián; András Messmer","Unexpected Ring Transformation to Pyrrolo[3.2-b]pyridine Derivatives. Fused Azolium Salts. 22","Journal of Organic Chemistry","2003","68","","5652","5659","10.1021/jo034231a","","","1.54184","CUkα","","0.0452","0.0429","","","0.1111","0.1127","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022434","6.6967","0.0017","12.147","0.003","23.158","0.003","90","","90","","90","","1883.8","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O7 -","- C21 H26 O7 -","- C84 H104 O28 -","4","1","","Benoit Guay; Pierre Deslongchamps","Cascade Polycyclization: Exploration of a Convergent Route to Access Various Tricyclic and Tetracyclic Products Related to Sterols","Journal of Organic Chemistry","2003","68","","6140","6148","10.1021/jo034280n","","","1.54184","CuKα","","0.0552","0.0486","","","0.1252","0.1299","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022438","5.8209","0.0002","15.1688","0.0004","24.5767","0.0009","90","","90","","90","","2170","0.1","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N3 O6 -","- C19 H31 N3 O6 -","- C76 H124 N12 O24 -","4","1","","Alessandro Dondoni; Alessandro Massi; Erik Minghini; Simona Sabbatini; Valerio Bertolasi","Model Studies toward the Synthesis of Dihydropyrimidinyl and Pyridyl α-Amino Acids via Three-Component Biginelli and Hantzsch Cyclocondensations","Journal of Organic Chemistry","2003","68","","6172","6183","10.1021/jo0342830","","","0.7107","MoKα","","0.0531","0.0408","","","0.0951","0.1041","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022439","5.284","0.001","14.857","0.003","21.982","0.004","90","","90","","90","","1725.7","0.6","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(4-Chloro-phenyl)-4-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxo-butyric acid methyl ester","","- C20 H15 Cl O6 -","- C20 H15 Cl O6 -","- C80 H60 Cl4 O24 -","4","1","","Nis Halland; Thomas Velgaard; Karl Anker Jørgensen","Direct Asymmetric Michael Reactions of Cyclic 1,3-Dicarbonyl Compounds and Enamines Catalyzed by Chiral Bisoxazoline-Copper(II) Complexes","Journal of Organic Chemistry","2003","68","","5067","5074","10.1021/jo0343026","","","0.71073","MoKα","","","0.046","","","","0.047","","","","","","1.14","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022462","6.985","0.0004","13.051","0.001","16.103","0.002","90","","90","","90","","1468","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O3 -","- C15 H23 O3 -","- C60 H92 O12 -","4","1","","Jean-Pierre Uttaro; Gérard Audran; Elie Palombo; Honoré Monti","First Enantioselective Synthesis and Absolute Stereochemistry Assignment of New Monocyclic Sesquiterpenes from Artemisia chamaemelifolia","Journal of Organic Chemistry","2003","68","","5407","5410","10.1021/jo034424y","","","0.71073","MoKα","","0.1128","0.1075","","","0.2991","0.3053","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022471","8.524","0.001","10.04","0.003","24.132","0.005","90","0.02","90","0.01","90","0.02","2065.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,9aR,9bS)-2-Phenyl-6-[(R)-1-phenyl-ethyl]- 4,6,8,9,9a,9b-hexahydro-3aH-pyrrolo[3,4-f]quinoline-1,3,7-trione","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C100 H96 N8 O12 -","4","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.0489","0.0472","","","0.131","0.1348","","","","","","0.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022472","9.079","0.001","9.92","0.001","27.771","0.002","90","0.007","90","0.006","90","0.007","2501.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,4R,9aR,9bS)-4-Butyl-2-phenyl-6-[(R)-1-phenyl-ethyl]- 4,6,8,9,9a,9b-hexahydro-3aH-pyrrolo[3,4-f]quinoline-1,3,7-trione","","- C29 H32 N2 O3 -","- C29 H32 N2 O3 -","- C116 H128 N8 O12 -","4","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.0737","0.0673","","","0.182","0.1932","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022475","9.415","0.001","9.884","0.001","30.493","0.002","90","0.003","90","0.003","90","0.002","2837.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-(4aS,6S,7S)-7-Butyl-2-oxo-1-(R)-(1-phenylethyl)- 1,2,3,4,4a,5,6,7-octahydro-quinoline-6-carboxylic Acid (S)-(1-phenylethyl)-amide","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C120 H152 N8 O8 -","4","1","","Fabrizio Lo Galbo; Ernesto G. Occhiato; Antonio Guarna; Cristina Faggi","Preparation and Cycloaddition Reactions of Enantiopure 2-(N-Acylamino)-1,3-dienes for the Synthesis of Octahydroquinoline Derivatives","Journal of Organic Chemistry","2003","68","","6360","6368","10.1021/jo0344687","","","1.54178","CuKα","","0.1498","0.0915","","","0.1806","0.2083","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022476","7.553","0.001","9.066","0.001","31.076","0.002","90","","90","","90","","2127.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-Benzyl-3-isopropylidene-4-methyl-2-phenyl- 1,2,3,5,6,7,8,8a-octahydroquinoline","","- C26 H31 N -","- C26 H31 N -","- C104 H124 N4 -","4","1","","David Regás; María M. Afonso; Matías L. Rodríguez; J. Antonio Palenzuela","Synthesis of Octahydroquinolines through the Lewis Acid Catalyzed Reaction of Vinyl Allenes and Imines","Journal of Organic Chemistry","2003","68","","7845","7852","10.1021/jo034480z","","","0.71073","MoKα","","0.0635","0.0553","","","0.141","0.1477","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022477","9.1347","0.0003","9.4741","0.0003","18.1026","0.0006","90","","90","","90","","1566.65","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aR,6S,7S,8R,8aS)-7,8-diacetyloxy-6-methylhexahydro-4aH-[1,4]dithiino [2,3b]pyran.","","- C12 H18 O5 S2 -","- C12 H18 O5 S2 -","- C48 H72 O20 S8 -","4","1","","Mabel Fragoso-Serrano; Georgina Guillén-Jaramillo; Rogelio Pereda-Miranda; Carlos M. Cerda-García-Rojas","Conformational Analysis of Sulfur-Containing 6-Deoxy-L-hexose Derivatives by Molecular Modeling and NMR Spectroscopy. A Theoretical Study and Experimental Evidence of Intramolecular Nonbonded Interactions between Sulfur and Oxygen","Journal of Organic Chemistry","2003","68","","7167","7175","10.1021/jo034492k","","","0.71073","MoKα","","0.0479","0.0416","","","0.0964","0.1004","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022481","8.47","0.06","13.71","0.015","19.471","0.004","90","","90","","90","","2260","16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 I O3 -","- C23 H33 I O3 -","- C92 H132 I4 O12 -","4","1","","José Barluenga; Mónica Álvarez-Pérez; Félix Rodríguez; Fracisco J. Fañanás; José A. Cuesta; Santiago García-Granda","Total Diastereofacial Selective Iodofunctionalization of Terpene Derivatives Based on Ipy~2~BF~4~","Journal of Organic Chemistry","2003","68","","6583","6586","10.1021/jo034517f","","","0.71073","MoKα","","0.0998","0.0415","","","0.0936","0.1147","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022488","13.401","0.003","19.157","0.005","28.489","0.007","90","","90","","90","","7313","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H83 Br O40 -","- C48 H70 Br O40 -","- C192 H280 Br4 O160 -","4","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.2173","0.1135","","","0.2754","0.3395","","","","","","0.988","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022489","13.207","0.004","18.993","0.005","28.563","0.008","90","","90","","90","","7165","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H81 N O41 -","- C48 H70.5 N O41 -","- C192 H282 N4 O164 -","4","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.2194","0.1165","","","0.2778","0.349","","","","","","1.014","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022490","13.204","0.005","19.146","0.007","28.835","0.012","90","","90","","90","","7290","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H80 N0 O40 -","- C49 H71.5 O39 -","- C196 H286 O156 -","4","1","","Yu Liu; Zhi Fan; Heng-Yi Zhang; Ying-Wei Yang; Fei Ding; Shuang-Xi Liu; Xue Wu; Takehiko Wada; Yoshihisa Inoue","Supramolecular Self-Assemblies of β-Cyclodextrins with Aromatic Tethers: Factors Governing the Helical Columnar versus Linear Channel Superstructures","Journal of Organic Chemistry","2003","68","","8345","8352","10.1021/jo034632q","","","0.71073","MoKα","","0.2946","0.1416","","","0.3217","0.4211","","","","","","1.016","","","","has coordinates","178403","2020-10-21","18:00:00",""
"4022496","6.9511","0.0003","11.9573","0.0007","22.33","0.002","90","","90","","90","","1856","0.2","268","2","268","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O2 -","- C20 H34 O2 -","- C80 H136 O8 -","4","1","","I. S. Marcos; A. B. Pedrero; M. J. Sexmero; D. Diez; P. Basabe; N. García; R. F. Moro; H. B. Broughton; F. Mollinedo; J. G. Urones","Synthesis of Bioactive Sesterterpenolides from ent-Halimic Acid. 15-Epi-ent-cladocoran A and B","Journal of Organic Chemistry","2003","68","","7496","7504","10.1021/jo034663l","","","1.5418","CuKα","","0.0774","0.0325","","0.0619","0.0479","","","","0.704","0.823","0.823","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022502","8.0033","0.0014","11.559","0.003","26.542","0.005","90","","90","","90","","2455.4","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 N O6 P -","- C8 H20 N O6 P -","- C64 H160 N8 O48 P8 -","8","2","","María Ruiz; M. Carmen Fernández; Aniana Díaz; José M. Quintela; Vicente Ojea","Diastereoselective Synthesis of 2-Amino-4-phosphonobutanoic Acids by Conjugate Addition of Lithiated Schöllkopf's Bislactim Ethers to Vinylphosphonates","Journal of Organic Chemistry","2003","68","","7634","7645","10.1021/jo034707q","","","0.71073","MoKα","","0.0548","0.0397","","","0.0813","0.0887","","","","","","1.109","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022507","9.1577","0.0003","11.0566","0.0004","15.6253","0.0006","90","","90","","90","","1582.11","0.1","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O3 Pd -","- C16 H26 N2 O3 Pd -","- C64 H104 N8 O12 Pd4 -","4","1","","Sunil K. Mandal; Matthew S. Sigman","Palladium-Catalyzed Aerobic Oxidative Kinetic Resolution of Alcohols with an Achiral Exogenous Base","Journal of Organic Chemistry","2003","68","","7535","7537","10.1021/jo034717r","","","0.71073","MoKα","","0.0297","0.0272","","","0.0624","0.064","","","","","","1.107","","","","has coordinates","178404","2020-10-21","18:00:00",""
"4022527","10.6118","0.0003","10.6555","0.0003","17.8821","0.0007","90","","90","","90","","2022","0.11","298","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","1","","Chai Ling Fan; Wei-Der Lee; Nai-Wei Teng; Ying-Chieh Sun; Kwunmin Chen","Epoxidation of Chiral Camphor N-Enoylpyrazolidinones with Methyl(trifluoromethyl)dioxirane and Urea Hydrogen Peroxide/ Acid Anhydride: Reversal of Stereoselectivity","Journal of Organic Chemistry","2003","68","","9816","9818","10.1021/jo034807w","","","0.71073","MoKα","","0.071","0.05","","0.096","0.091","0.091","","","1.721","1.62","1.62","1.616","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022545","12.296","0.0007","14.3164","0.0009","18.0668","0.0011","90","","90","","90","","3180.4","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 O8 -","- C40 H34 O8 -","- C160 H136 O32 -","4","1","","Kamil Paruch; Libor Vyklický; David Zhigang Wang; Thomas J. Katz; Christopher Incarvito; Lev Zakharov; Arnold L. Rheingold","Functionalizations of [6]- and [7]Helicenes at Their Most Sterically Hindered Positions","Journal of Organic Chemistry","2003","68","","8539","8544","10.1021/jo035057t","","","0.71073","MoKα","","0.0477","0.0362","","","0.0714","0.0738","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022580","11.237","0.001","12.26","0.001","14.307","0.001","90","0.01","90","0.01","90","0.01","1971","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,5R,8R)-2-tert-Butyl-8-isopropyl-4,4-dimethyl-3-phenyl-1,6-dioxa-2,9- diazaspiro[4.4]nonane","","- C20 H32 N2 O2 -","- C20 H32 N2 O2 -","- C80 H128 N8 O8 -","4","1","","Renzo Luisi; Vito Capriati; Saverio Florio; Teresa Vista","New Synthesis of Optically Active 5-Isoxazolidinones and β-Amino Acids","Journal of Organic Chemistry","2003","68","","9861","9864","10.1021/jo035356i","","","0.71073","MoKα","","0.0396","0.0359","","","0.0976","0.1032","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022581","6.187","0.001","16.721","0.001","18.792","0.001","90","0.01","90","0.01","90","0.01","1944.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4R,3'R,4'S)-2-[2-tert-Butyl-3-(4-chlorophenyl)-4-methyl[1,2]oxazetidin-4-yl]- 4-isopropyl-4,5-dihydrooxazole","","- C19 H31 Cl N2 O2 -","- C19 H27 Cl N2 O2 -","- C76 H108 Cl4 N8 O8 -","4","1","","Renzo Luisi; Vito Capriati; Saverio Florio; Eliana Piccolo","Synthesis of Enantiomerically Enriched Oxazolinyl[1,2]Oxazetidines","Journal of Organic Chemistry","2003","68","","10187","10190","10.1021/jo035360u","","","0.71073","MoKα","","0.0508","0.0457","","","0.1361","0.1421","","","","","","1.121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022585","9.771","0.004","16.391","0.006","24.532","0.009","90","","90","","90","","3929","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 Cl N8 O12 -","- C33 H47 Cl N8 O12 -","- C132 H188 Cl4 N32 O48 -","4","1","","Eric D. Miller; Christopher A. Kauffman; Paul R. Jensen; William Fenical","Piperazimycins: Cytotoxic Hexadepsipeptides from a Marine-Derived Bacterium of the Genus Streptomyces","Journal of Organic Chemistry","2007","72","","323","330","10.1021/jo061064g","","","0.71073","MoKα","","0.1914","0.1539","","","0.3918","0.4114","","","","","","1.413","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022590","6.5659","0.0019","8.378","0.002","37.112","0.003","90","","90","","90","","2041.5","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H32 O3 Si -","- C17 H32 O3 Si -","- C68 H128 O12 Si4 -","4","1","","Yang Li; Jian-Peng Feng; Wen-Hua Wang; Jie Chen; Xiao-Ping Cao","Total Synthesis and Correct Absolute Configuration of Malyngamide U","Journal of Organic Chemistry","2007","72","","2344","2350","10.1021/jo061456n","","","0.71073","MoKα","","0.1292","0.0588","","","0.1574","0.1994","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022609","9.474","0.004","11.504","0.005","16.118","0.007","90","","90","","90","","1756.8","1.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R,R,S)-5h","(3R,6R,9S)-1-Aza-3-tert-butoxycarbonylamino-9-methoxycarbonyl- 5-oxa-2-oxobicyclo[4.3.0]nonane.","","- C14 H22 N2 O6 -","- C14 H22 N2 O6 -","- C56 H88 N8 O24 -","4","1","","Wen-Hua Chiou; Nobihiro Mizutani; Iwao Ojima","Highly Efficient Synthesis of Azabicyclo[x.y.0]alkane Amino Acids and Congeners by Means of Rh-Catalyzed Cyclohydrocarbonylation","Journal of Organic Chemistry","2007","72","","1871","1882","10.1021/jo061692y","","","0.71073","MoKα","","0.3102","0.0786","","","0.1768","0.2326","","","","","","0.678","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022610","8.856","0.0018","10.534","0.002","17.443","0.004","90","","90","","90","","1627.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S,S,R)-5h","(3S,6S,9R)-1-Aza-3-tert-butoxycarbonylamino-9-methoxycarbonyl- 5-oxa-2-oxobicyclo[4.3.0]nonane","","- C14 H22 N2 O6 -","- C14 H22 N2 O6 -","- C56 H88 N8 O24 -","4","1","","Wen-Hua Chiou; Nobihiro Mizutani; Iwao Ojima","Highly Efficient Synthesis of Azabicyclo[x.y.0]alkane Amino Acids and Congeners by Means of Rh-Catalyzed Cyclohydrocarbonylation","Journal of Organic Chemistry","2007","72","","1871","1882","10.1021/jo061692y","","","0.71073","MoKα","","0.2408","0.0522","","","0.0997","0.1337","","","","","","0.676","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022633","6.4528","0.0005","9.5514","0.0007","20.5093","0.0018","90","","90","","90","","1264.06","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br F2 N3 O3 -","- C10 H12 Br F2 N3 O3 -","- C40 H48 Br4 F8 N12 O12 -","4","1","","Ireneusz Nowak; John F. Cannon; Morris J. Robins","Addition of Difluorocarbene to 3',4'-Unsaturated Nucleosides: Synthesis of 2'-Deoxy Analogues with a 2-Oxabicyclo[3.1.0]hexane Framework","Journal of Organic Chemistry","2007","72","","532","537","10.1021/jo061965p","","","0.71073","MoKα","","0.0563","0.0437","","","0.1046","0.1122","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022663","8.257","0.005","15.255","0.01","16.79","0.011","90","","90","","90","","2115","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O3 S2 -","- C23 H24 O3 S2 -","- C92 H96 O12 S8 -","4","1","","Yolanda Arroyo; J. Félix Rodríguez; Mercedes Santos; M. Ascensión Sanz Tejedor; José Luis García Ruano","Asymmetric Synthesis of β-Hydroxy Sulfides Controlled by Remote Sulfoxides","Journal of Organic Chemistry","2007","72","","1035","1038","10.1021/jo062053q","","","0.71073","MoKα","","0.0377","0.0326","","","0.0842","0.0867","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022681","5.709","0.0006","7.647","0.0007","34.415","0.003","90","","90","","90","","1502.5","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Marie-Christine Matos; Paul V. Murphy","Synthesis of Macrolide-Saccharide Hybrids by Ring-Closing Metathesis of Precursors Derived from Glycitols and Benzoic Acids","Journal of Organic Chemistry","2007","72","","1803","1806","10.1021/jo062159l","","","0.71073","MoKα","","0.0424","0.0402","","","0.0975","0.0995","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022683","5.5956","0.0005","12.3776","0.0011","13.8471","0.0013","90","","90","","90","","959.05","0.15","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N3 O S -","- C9 H9 N3 O S -","- C36 H36 N12 O4 S4 -","4","1","","Sivaramakrishnan Muthukrishnan; Sarah M. Mandel; John C. Hackett; Pradeep N. D. Singh; Christopher M. Hadad; Jeanette A. Krause; Anna D. Gudmundsdóttir","Competition between α-Cleavage and Energy Transfer in α-Azidoacetophenones","Journal of Organic Chemistry","2007","72","","2757","2768","10.1021/jo062160k","","","0.71073","MoKα","","0.0454","0.0304","","","0.0675","0.0748","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022696","9.9667","0.0008","11.6617","0.0009","13.5269","0.0011","90","","90","","90","","1572.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 S -","- C16 H19 N O4 S -","- C64 H76 N4 O16 S4 -","4","1","","Paul Evans","The Double Reduction of Cyclic Sulfonamides for the Synthesis of (4S-Phenylpyrrolidin-2R-yl)methanol and 2S-Methyl-4S-phenylpyrrolidine","Journal of Organic Chemistry","2007","72","","1830","1833","10.1021/jo062189o","","","0.71073","MoKα","","0.0407","0.0381","","","0.0953","0.0975","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022697","8.9647","0.001","9.7275","0.0011","12.0253","0.0013","90","","90","","90","","1048.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O2 S -","- C11 H13 N O2 S -","- C44 H52 N4 O8 S4 -","4","1","","Paul Evans","The Double Reduction of Cyclic Sulfonamides for the Synthesis of (4S-Phenylpyrrolidin-2R-yl)methanol and 2S-Methyl-4S-phenylpyrrolidine","Journal of Organic Chemistry","2007","72","","1830","1833","10.1021/jo062189o","","","0.71073","MoKα","","0.0319","0.0309","","","0.0778","0.079","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022703","5.9299","0.0008","8.176","0.001","27.17","0.003","90","","90","","90","","1317.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O -","- C18 H16 O -","- C72 H64 O4 -","4","1","","Long-Wu Ye; Xiu-Li Sun; Chuan-Ying Li; Yong Tang","Tetrahydrothiophene-Catalyzed Synthesis of Benzo[n.1.0] Bicycloalkanes","Journal of Organic Chemistry","2007","72","","1335","1340","10.1021/jo062209m","","","0.71073","MoKα","","0.0576","0.0407","","","0.0702","0.075","","","","","","0.883","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022710","8.0516","0.0003","8.2455","0.0003","25.6436","0.0008","90","","90","","90","","1702.47","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","","François Couty; Olivier David; Bénédicte Larmanjat; Jérôme Marrot","Strained Azetidinium Ylides: New Reagents for Cyclopropanation","Journal of Organic Chemistry","2007","72","","1058","1061","10.1021/jo062221e","","","0.71073","MoKα","","0.0692","0.0454","","","0.1193","0.1408","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022711","10.094","0.0005","12.5122","0.0004","13.8767","0.0007","90","","90","","90","","1752.6","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O -","- C19 H24 N2 O -","- C76 H96 N8 O4 -","4","1","","François Couty; Olivier David; Bénédicte Larmanjat; Jérôme Marrot","Strained Azetidinium Ylides: New Reagents for Cyclopropanation","Journal of Organic Chemistry","2007","72","","1058","1061","10.1021/jo062221e","","","0.71073","MoKα","","0.0918","0.05","","","0.1271","0.1531","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022712","8.5497","0.0003","13.0555","0.0005","15.7323","0.0007","90","","90","","90","","1756.05","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","François Couty; Olivier David; Bénédicte Larmanjat; Jérôme Marrot","Strained Azetidinium Ylides: New Reagents for Cyclopropanation","Journal of Organic Chemistry","2007","72","","1058","1061","10.1021/jo062221e","","","0.71073","MoKα","","0.1036","0.0445","","","0.1011","0.1235","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022713","13.1383","0.0005","13.138","","43.66","0.002","90","","90","","90","","7536.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C288 H336 N24 O24 -","12","3","","François Couty; Olivier David; Bénédicte Larmanjat; Jérôme Marrot","Strained Azetidinium Ylides: New Reagents for Cyclopropanation","Journal of Organic Chemistry","2007","72","","1058","1061","10.1021/jo062221e","","","0.71073","MoKα","","0.2596","0.083","","","0.2095","0.2814","","","","","","0.868","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022718","5.0184","0.0007","7.3717","0.001","18.44","0.002","90","","90","","90","","682.18","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-methylcarboxy2-methyl-3-sydnone N-oxide","","- C5 H6 N2 O5 -","- C5 H6 N2 O5 -","- C20 H24 N8 O20 -","4","1","","D. Scott Bohle; Lindsey E. McQuade; Inna Perepichka; Lijuan Zhang","Methylation of Sydnone N-Oxides: Kinetic and Thermodynamic Control in the Alkylation Site of an Electron-Rich Heterocycle","Journal of Organic Chemistry","2007","72","","3625","3631","10.1021/jo062235k","","","0.71073","MoKα","","0.0608","0.0603","","","0.1333","0.1341","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022725","5.148","0.002","10.506","0.005","27.52","0.012","90","","90","","90","","1488.4","1.1","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 O S4 -","- C15 H10 O S4 -","- C60 H40 O4 S16 -","4","1","","Yao-Peng Zhao; Li-Zhu Wu; Gang Si; Yan Liu; Hai Xue; Li-Ping Zhang; Chen-Ho Tung","Synthesis, Spectroscopic, Electrochemical and Pb^2+^-Binding Studies of Tetrathiafulvalene Acetylene Derivatives","Journal of Organic Chemistry","2007","72","","3632","3639","10.1021/jo0622577","","","0.71073","MoKα","","0.0435","0.0332","","","0.0752","0.0801","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022747","8.0272","0.0008","13.8028","0.0014","27.746","0.003","90","","90","","90","","3074.2","0.5","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C39 H54 -","- C39 H54 -","- C156 H216 -","4","1","","Paromita Debroy; Ruchi Shukla; Sergey V. Lindeman; Rajendra Rathore","Preparation of Chiral Cholestanofluorene and Its Electron-Rich Derivatives for Isolation of a Stable Cation-Radical Salt","Journal of Organic Chemistry","2007","72","","1765","1769","10.1021/jo062300q","","","0.71073","MoKα","","0.06","0.0488","","","0.1192","0.1272","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022768","9.378","0.0011","10.968","0.0012","13.966","0.001","90","","90","","90","","1436.5","0.3","293","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","James D. White; Laura Quaranta; Guoqiang Wang","Studies on the Synthesis of (-)-Gymnodimine. Subunit Synthesis and Coupling","Journal of Organic Chemistry","2007","72","","1717","1728","10.1021/jo062396o","","","1.54184","CuKα","","0.037","0.034","","","0.091","0.0933","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022774","7.4571","0.0015","8.4721","0.0017","22.88","0.005","90","","90","","90","","1445.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","1","","Xiao-Ping Jiang; Ying Cheng; Gao-Feng Shi; Zhi-Mei Kang","A Versatile Strategy for Divergent and Diastereoselective Synthesis of Natural Product-Like Polyhydroxylated Indolizidines","Journal of Organic Chemistry","2007","72","","2212","2215","10.1021/jo0624290","","","0.71073","MoKα","","0.0822","0.0679","","","0.1701","0.1792","","","","","","0.974","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022777","9.6256","0.0019","9.795","0.002","14.391","0.003","90","","90","","90","","1356.8","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O6 -","- C13 H19 N O6 -","- C52 H76 N4 O24 -","4","1","","Xiao-Ping Jiang; Ying Cheng; Gao-Feng Shi; Zhi-Mei Kang","A Versatile Strategy for Divergent and Diastereoselective Synthesis of Natural Product-Like Polyhydroxylated Indolizidines","Journal of Organic Chemistry","2007","72","","2212","2215","10.1021/jo0624290","","","0.7107","MoKα","","0.0403","0.0364","","","0.0857","0.0876","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022778","8.2","0.0005","9.7577","0.0006","34.842","0.002","90","","90","","90","","2787.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O12 S -","- C25 H29 N O12 S -","- C100 H116 N4 O48 S4 -","4","1","","David Crich; Wenju Li","O-Sialylation with N-Acetyl-5-N,4-O-Carbonyl-Protected Thiosialoside Donors in Dichloromethane: Facile and Selective Cleavage of the Oxazolidinone Ring","Journal of Organic Chemistry","2007","72","","2387","2391","10.1021/jo062431r","","","0.71073","MoKα","","0.0549","0.0462","","","0.1173","0.1232","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022792","7.5015","0.0015","15.005","0.003","24.7939","0.0015","90","","90","","90","","2790.8","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","steroid","","","- C29 H47 O5 -","- C29 H47 O5 -","- C116 H188 O20 -","4","1","","Marcin Górecki; Ewa Jabłońska; Anna Kruszewska; Suszczyńska; Zofia Urbańczyk-Lipkowska; Michael Gerards; Jacek W. Morzycki; Wojciech J. Szczepek; Jadwiga Frelek","Practical Method for the Absolute Configuration Assignment of tert/tert 1,2-Diols Using Their Complexes with Mo~2~(OAc)~4~","Journal of Organic Chemistry","2007","72","","2906","2916","10.1021/jo062445x","","","1.54178","CuKα","","0.2357","0.062","","","0.1354","0.1873","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022795","5.7422","0.0008","13.106","0.002","22.274","0.003","90","","90","","90","","1676.3","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O6 S -","- C17 H15 N O6 S -","- C68 H60 N4 O24 S4 -","4","1","","Stephen C. Pelly; Sameshnee Govender; Manuel A. Fernandes; Hans-Günther Schmalz; Charles B. de Koning","Stereoselective Syntheses of the 2-Isopropenyl-2,3-dihydrobenzofuran Nucleus: Potential Chiral Building Blocks for the Syntheses of Tremetone, Hydroxytremetone, and Rotenone","Journal of Organic Chemistry","2007","72","","2857","2864","10.1021/jo062447h","","","0.71073","MoKα","","0.0502","0.0382","","","0.0916","0.0974","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022806","9.44","0.0004","10.0459","0.0004","20.4407","0.0008","90","","90","","90","","1938.46","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((1R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-en-2-yl)diphenylphosphineborane","","- C22 H28 B P -","- C22 H28 B P -","- C88 H112 B4 P4 -","4","1","","Delphine Julienne; Jean-François Lohier; Olivier Delacroix; Annie-Claude Gaumont","Palladium-Catalyzed C-P Coupling Reactions between Vinyl Triflates and Phosphine-Boranes: Efficient Access to Vinylphosphine-Boranes","Journal of Organic Chemistry","2007","72","","2247","2250","10.1021/jo062482o","","","0.71073","MoKα","","0.0338","0.031","","","0.0842","0.0908","","","","","","1.12","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022831","11.2389","0.0011","11.9684","0.001","14.7992","0.0013","90","","90","","90","","1990.7","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound-29a","","","- C22 H19 N3 O4 S -","- C22 H19 N3 O4 S -","- C88 H76 N12 O16 S4 -","4","1","","Carl J. Lovely; Hongwang Du; Rasapalli Sivappa; Manojkumar R. Bhandari; Yong He; H. V. Rasika Dias","Preparation and Diels-Alder Chemistry of 4-Vinylimidazoles","Journal of Organic Chemistry","2007","72","","3741","3749","10.1021/jo0626008","","","0.71073","MoKα","","0.0374","0.0319","","","0.0755","0.0791","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022843","6.2374","0.0004","9.8577","0.001","18.1082","0.0014","90","","90","","90","","1113.41","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 F2 N3 O4 -","- C10 H11 F2 N3 O4 -","- C40 H44 F8 N12 O16 -","4","1","","Ireneusz Nowak; Morris J. Robins","Synthesis of 3'-Deoxynucleosides with 2-Oxabicyclo[3.1.0]hexane Sugar Moieties: Addition of Difluorocarbene to a 3',4'-Unsaturated Uridine Derivative and 1,2-Dihydrofurans Derived from D- and L-Xylose","Journal of Organic Chemistry","2007","72","","3319","3325","10.1021/jo062614d","","","0.71073","MoKα","","0.0327","0.0276","","","0.0688","0.0712","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022848","12.1908","0.0004","20.4085","0.0009","8.11","0.0003","90","","90","","90","","2017.74","0.13","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 O -","- C29 H22 O -","- C116 H88 O4 -","4","1","","Mark A. Forman; Caitlin Moran; Joseph P. Herres; Jason Stairs; Emily Chopko; Anthony Pozzessere; Michael Kerrigan; Carisa Kelly; Lisa Lowchyj; Kerry Salandria; Annemarie Gallo; Elizabeth Loutzenhiser","Generation and Reactions of Pentacyclo[4.3.0.0^2,4^.0^3,8^.0^5,7^]non-4-ene","Journal of Organic Chemistry","2007","72","","2996","3005","10.1021/jo0626313","","","0.71069","MoKα","","0.0392","0.0361","","0.0786","0.0766","","","","1.148","1.151","1.151","","","","","has coordinates","178407","2020-10-21","18:00:00",""
"4022849","5.7996","0.0009","11.9907","0.0016","41.103","0.005","90","","90","","90","","2858.4","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N4 O14 -","- C26 H26 N4 O14 -","- C104 H104 N16 O56 -","4","1","","Douglass F. Taber; Jean-Michel Joerger","Preparation of the 5/5-Spiroketal of the Ritterazines","Journal of Organic Chemistry","2007","72","","3454","3457","10.1021/jo0626461","","","0.71073","MoKα","","0.0485","0.0385","","","0.0821","0.0873","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022857","10.5415","0.0007","12.4658","0.0008","13.8618","0.0009","90","","90","","90","","1821.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","1","","Alexander F. Pozharskii; Alexander V. Degtyarev; Oksana V. Ryabtsova; Valery A. Ozeryanskii; Mikhail E. Kletskii; Zoya A. Starikova; Lucjan Sobczyk; Alexander Filarowski","2-α-Hydroxyalkyl- and 2,7-Di(α-hydroxyalkyl) -1,8-bis(dimethylamino)naphthalenes: Stabilization of Nonconventional In/Out Conformers of ""Proton Sponges"" via N···H-O Intramolecular Hydrogen Bonding. A Remarkable Kind of Tandem Nitrogen Inversion","Journal of Organic Chemistry","2007","72","","3006","3019","10.1021/jo062667v","","","0.71073","MoKα","","0.0358","0.034","","","0.0873","0.089","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022884","8.3367","0.0004","15.6339","0.0006","32.1238","0.0013","90","","90","","90","","4186.9","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H39 Cl3 O4 -","- C53 H39 Cl3 O4 -","- C212 H156 Cl12 O16 -","4","1","","Cheng Wang; Lingyun Zhu; Junfeng Xiang; Yanxin Yu; Deqing Zhang; Zhigang Shuai; Daoben Zhu","Chiral Molecular Switches Based on Binaphthalene Molecules with Anthracene Moieties: CD Signal Due to Interchromophoric Exciton Coupling and Modulation of the CD Spectrum","Journal of Organic Chemistry","2007","72","","4306","4312","10.1021/jo070044r","","","0.7107","MoKα","","0.0616","0.0498","","","0.1137","0.1215","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022887","10.51","0.003","11.488","0.004","20.74","0.006","90","","90","","90","","2504.1","1.3","173.1","","173.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Cl4 O4 -","- C26 H26 Cl4 O4 -","- C104 H104 Cl16 O16 -","4","1","","Masayuki Inoue; Nayoung Lee; Satoshi Kasuya; Takaaki Sato; Masahiro Hirama; Miyako Moriyama; Yoshiyasu Fukuyama","Total Synthesis and Bioactivity of an Unnatural Enantiomer of Merrilactone A: Development of an Enantioselective Desymmetrization Strategy","Journal of Organic Chemistry","2007","72","","3065","3075","10.1021/jo0700474","","","0.7107","MoKα","","","0.028","","","","0.069","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022900","11.7899","0.0012","12.046","0.0013","23.093","0.003","90","","90","","90","","3279.7","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 F2 N2 O3 S2 -","- C34 H38 F2 N2 O3 S2 -","- C136 H152 F8 N8 O12 S8 -","4","1","","Jun Liu; Ya Li; Jinbo Hu","Stereoselective Synthesis of Di- and Monofluoromethylated Vicinal Ethylenediamines with Di- and Monofluoromethyl Sulfones","Journal of Organic Chemistry","2007","72","","3119","3121","10.1021/jo070094w","","","0.71073","MoKα","","0.1355","0.0574","","","0.0716","0.0878","","","","","","0.87","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022914","9.3588","0.0002","12.2372","0.0002","19.5081","0.0003","90","","90","","90","","2234.18","0.07","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl3 N O3 -","- C23 H24 Cl3 N O3 -","- C92 H96 Cl12 N4 O12 -","4","1","","Giuseppe Borsato; Anthony Linden; Ottorino De Lucchi; Vittorio Lucchini; David Wolstenholme; Alfonso Zambon","Chiral Polycyclic Ketones via Desymmetrization of Dihaloolefins","Journal of Organic Chemistry","2007","72","","4272","4275","10.1021/jo070222g","","","0.71073","MoKα","","0.0558","0.039","","","0.0832","0.091","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022919","8.379","0.005","17.493","0.005","17.621","0.005","90","0.005","90","0.005","90","0.005","2582.8","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O2 S2 -","- C14 H12 O2 S2 -","- C112 H96 O16 S16 -","8","2","","Jun Liu; Mang Wang; Bing Li; Qun Liu; Yulong Zhao","A Divergent Synthesis of Functionalized Unsaturated δ-Lactones from α-Alkenoyl-α-carboxyl Ketene Dithioacetals","Journal of Organic Chemistry","2007","72","","4401","4405","10.1021/jo0702488","","","0.71069","MoKα","","0.1274","0.0624","","","0.103","0.1261","","","","","","0.989","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022933","8.458","0.002","16.354","0.007","17.991","0.007","90","","90","","90","","2488.6","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N O4 S -","- C28 H31 N O4 S -","- C112 H124 N4 O16 S4 -","4","1","","Huimin Zhai; Masood Parvez; Thomas G. Back","A Highly Stereoselective Synthesis of (-)-(ent)-Julifloridine from the Cyclization of an Alanine-Derived Chloroamine with an Acetylenic Sulfone","Journal of Organic Chemistry","2007","72","","3853","3858","10.1021/jo0703101","","","0.71073","MoKα","","0.0634","0.0451","","","0.0954","0.1046","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022936","7.849","0.0002","14.1571","0.0003","27.1001","0.0006","90","","90","","90","","3011.34","0.12","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C120 H184 N8 O16 S8 -","8","2","","Eric S. Sherman; Peter H. Fuller; Dhanalakshmi Kasi; Sherry R. Chemler","Pyrrolidine and Piperidine Formation via Copper(II) Carboxylate-Promoted Intramolecular Carboamination of Unactivated Olefins: Diastereoselectivity and Mechanism","Journal of Organic Chemistry","2007","72","","3896","3905","10.1021/jo070321u","","","0.71073","MoKα","","0.0453","0.035","","","0.0769","0.0813","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022937","7.2556","0.0009","10.8856","0.0014","31.743","0.004","90","","90","","90","","2507.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Co O2 -","- C29 H41 Co O2 -","- C116 H164 Co4 O8 -","4","1","","Miguel A. Sierra; M. Rosario Torres; María C. de la Torre; Elsa Álvaro","Synthesis of Terpene and Steroid Dimers and Trimers Having Cyclobutadienyl-Co and Aromatic Tethers","Journal of Organic Chemistry","2007","72","","4213","4219","10.1021/jo0703698","","","0.71073","MoKα","","0.1259","0.0502","","","0.0759","0.0908","","","","","","0.838","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022943","10.5761","0.0007","16.3822","0.001","19.6147","0.0012","90","","90","","90","","3398.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 Cl7 N -","- C28 H44 Cl7 N -","- C112 H176 Cl28 N4 -","4","1","","Rodolphe Jazzar; Jean-Baptiste Bourg; Rian D. Dewhurst; Bruno Donnadieu; Guy Bertrand","Intramolecular ""Hydroiminiumation and -amidiniumation"" of Alkenes: A Convenient, Flexible, and Scalable Route to Cyclic Iminium and Imidazolinium Salts","Journal of Organic Chemistry","2007","72","","3492","3499","10.1021/jo0703909","","","0.71073","MoKα","","0.0577","0.0381","","","0.0744","0.0813","","","","","","1.015","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022945","9.7028","0.0013","11.6954","0.001","13.7099","0.0014","90","","90","","90","","1555.8","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Mercedes Amat; Oscar Lozano; Carmen Escolano; Elies Molins; Joan Bosch","Enantioselective Synthesis of 3,3-Disubstituted Piperidine Derivatives by Enolate Dialkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams","Journal of Organic Chemistry","2007","72","","4431","4439","10.1021/jo070397q","","x-ray","0.71073","MoKα","","0.0725","0.0426","","","0.1181","0.1318","","","","","","1.015","","","","has coordinates","178408","2020-10-21","18:00:00",""
"4022947","6.5457","0.0013","13.684","0.002","20.332","0.009","90","","90","","90","","1821.2","0.9","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C88 H100 N4 O8 -","4","1","","Mercedes Amat; Oscar Lozano; Carmen Escolano; Elies Molins; Joan Bosch","Enantioselective Synthesis of 3,3-Disubstituted Piperidine Derivatives by Enolate Dialkylation of Phenylglycinol-Derived Oxazolopiperidone Lactams","Journal of Organic Chemistry","2007","72","","4431","4439","10.1021/jo070397q","","x-ray","0.71073","MoKα","","0.0608","0.0449","","","0.1106","0.1204","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022959","14.294","0.003","14.681","0.003","51.888","0.01","90","","90","","90","","10889","4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84 H132 K N4 O25 V5 -","- C84 H132 K N4 O25 V5 -","- C336 H528 K4 N16 O100 V20 -","4","1","","Chien-Tien Chen; Sampada Bettigeri; Shiue-Shien Weng; Vijay D. Pawar; Ya-Hui Lin; Cheng-Yuan Liu; Way-Zen Lee","Asymmetric Aerobic Oxidation of α-Hydroxy Acid Derivatives by C~4~-Symmetric, Vanadate-Centered, Tetrakisvanadyl(V) Clusters Derived from N-Salicylidene-α-aminocarboxylates","Journal of Organic Chemistry","2007","72","","8175","8185","10.1021/jo070575f","","","0.71073","MoKα","","0.141","0.0845","","","0.2018","0.2267","","","","","","1.003","","","","has coordinates,has disorder","178408","2020-10-21","18:00:00",""
"4022965","11.2204","0.0018","11.4675","0.0019","51.151","0.008","90","","90","","90","","6581.6","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Cl N O4 -","- C37 H40 Cl N O4 -","- C296 H320 Cl8 N8 O32 -","8","2","","Bradley O. Ashburn; Rich G. Carter","Diels-Alder Approach to Tetra-ortho-Substituted Biaryls Employing Propargylic Tertiary Alcohols as Dienophiles","Journal of Organic Chemistry","2007","72","","10220","10223","10.1021/jo070812e","","","0.71073","MoKα","","0.0555","0.0447","","","0.1023","0.1101","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022966","17.9792","0.0002","19.2948","0.0003","30.509","0.0005","90","","90","","90","","10583.7","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1379","","","- C107.5 H126 N4 O6 Y2 -","- C107.5 H126 N4 O6 Y2 -","- C430 H504 N16 O24 Y8 -","4","1","","Biswajit Saha; Mei-Huey Lin; T. V. RajanBabu","Exceptionally Active Yttrium-Salen Complexes for the Catalyzed Ring Opening of Epoxides by TMSCN and TMSN~3~","Journal of Organic Chemistry","2007","72","","8648","8655","10.1021/jo071076h","","x-ray","0.71073","MoKα","","0.0803","0.0697","","","0.1877","0.1923","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022969","7.698","0.0012","10.0638","0.0015","14.166","0.002","90","","90","","90","","1097.4","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N5 O3 -","- C10 H13 N5 O3 -","- C40 H52 N20 O12 -","4","1","","Morris J. Robins; Ireneusz Nowak; Stanislaw F. Wnuk; Fritz Hansske; Danuta Madej","Deoxygenative [1,2]-Hydride Shift Rearrangements in Nucleoside and Sugar Chemistry: Analogy with the [1,2]-Electron Shift in the Deoxygenation of Ribonucleotides by Ribonucleotide Reductase","Journal of Organic Chemistry","2007","72","","8216","8221","10.1021/jo071102b","","","0.71073","MoKα","","0.0381","0.0362","","","0.0962","0.0982","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022974","5.191","0.003","11.306","0.007","27.188","0.016","90","","90","","90","","1595.6","1.7","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 S -","- C17 H20 N O2 S -","- C68 H80 N4 O8 S4 -","4","1","","Ryo Tanaka; Koji Nakano; Kyoko Nozaki","Synthesis of α-Heteroarylpropanoic Acid via Asymmetric Hydroformylation Catalyzed by Rh(I)-(R,S)-BINAPHOS and the Subsequent Oxidation","Journal of Organic Chemistry","2007","72","","8671","8676","10.1021/jo0712190","","","0.7107","MoKα","","0.0553","0.05","","","0.0976","0.0999","","","","","","1.115","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022984","9.133","0.015","17.51","0.03","27.99","0.05","90","","90","","90","","4476","13","273","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Imidazolium-pyridino cholaphane","deoxycholic acid based imidazolium bromide salt","","- C42 H57 Br2 N5 O10 -","- C42 H57 Br2 N5 O10 -","- C168 H228 Br8 N20 O40 -","4","1","","Vijay K. Khatri; Mamta Chahar; K. Pavani; Pramod S. Pandey","Bile Acid-Based Cyclic Bisbenzimidazolium Receptors for Anion Recognition: Highly Improved Receptors for Fluoride and Chloride Ions","Journal of Organic Chemistry","2007","72","","10224","10226","10.1021/jo701341r","","","0.71073","MoKα","","0.1771","0.1003","","","0.2197","0.2748","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022988","9.453","","9.564","","21.897","","90","","90","","90","","1979.7","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C80 H92 N4 O16 S4 -","4","1","","Indrajit Das; Tarun K. Pal; Tanmaya Pathak","Diastereoselective Michael Initiated Ring Closure on Vinyl Sulfone-Modified Carbohydrates: A Stereospecific and General Route to α-Substituted Cyclopropanes","Journal of Organic Chemistry","2007","72","","9181","9189","10.1021/jo701378d","","","0.71073","MoKα","","0.0895","0.0455","","","0.0984","0.1134","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022990","5.231","","7.429","","16.812","","90","","90","","90","","653.3","","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","","Indrajit Das; Tarun K. Pal; Tanmaya Pathak","Diastereoselective Michael Initiated Ring Closure on Vinyl Sulfone-Modified Carbohydrates: A Stereospecific and General Route to α-Substituted Cyclopropanes","Journal of Organic Chemistry","2007","72","","9181","9189","10.1021/jo701378d","","","0.71073","MoKα","","0.1267","0.0956","","","0.2431","0.2634","","","","","","1.213","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022991","5.617","","13.796","","21.594","","90","","90","","90","","1673.3","","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O6 S -","- C12.8 H16 O4.8 S0.8 -","- C64 H80 O24 S4 -","5","1.25","","Indrajit Das; Tarun K. Pal; Tanmaya Pathak","Diastereoselective Michael Initiated Ring Closure on Vinyl Sulfone-Modified Carbohydrates: A Stereospecific and General Route to α-Substituted Cyclopropanes","Journal of Organic Chemistry","2007","72","","9181","9189","10.1021/jo701378d","","","0.71073","MoKα","","0.0603","0.0401","","","0.1269","0.1493","","","","","","0.773","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022997","9.6324","0.0002","12.4812","0.0003","14.0456","0.0003","90","","90","","90","","1688.62","0.06","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Sylvie Pailloux; Iris Binyamin; Lorraine M. Deck; Brian M. Rapko; Benjamin P. Hay; Eileen N. Duesler; Robert T. Paine","Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenylacetamides","Journal of Organic Chemistry","2007","72","","9195","9202","10.1021/jo701408y","","","0.71073","MoKα","","0.0513","0.0392","","","0.1031","0.1131","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023010","9.284","0.0001","19.3628","0.0002","24.2448","0.0003","90","","90","","90","","4358.35","0.08","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H56 B2 Fe N2 O2 P2 -","- C44 H56 B2 Fe N2 O2 P2 -","- C176 H224 B8 Fe4 N8 O8 P8 -","4","1","","Michel (Massoud S.) Stephan; Damjan Šterk; Barbara Modec; Barbara Mohar","Study of the Reaction of Bulky Aryllithium Reagents with 3,4-Dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine-2-borane Derived from Ephedrine","Journal of Organic Chemistry","2007","72","","8010","8018","10.1021/jo7014505","","","0.71073","MoKα","","0.0586","0.0415","","","0.0925","0.101","","","","","","1.064","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023011","6.9398","0.0001","8.8621","0.0001","27.4006","0.0004","90","","90","","90","","1685.17","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 B N O P -","- C16 H21 B N O P -","- C64 H84 B4 N4 O4 P4 -","4","1","","Michel (Massoud S.) Stephan; Damjan Šterk; Barbara Modec; Barbara Mohar","Study of the Reaction of Bulky Aryllithium Reagents with 3,4-Dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine-2-borane Derived from Ephedrine","Journal of Organic Chemistry","2007","72","","8010","8018","10.1021/jo7014505","","","0.71073","MoKα","","0.0526","0.0421","","","0.1084","0.1158","","","","","","1.066","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023012","7.6191","0.0001","12.9465","0.0001","28.2622","0.0003","90","","90","","90","","2787.8","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 B N2 O2 P -","- C28 H40 B N2 O2 P -","- C112 H160 B4 N8 O8 P4 -","4","1","","Michel (Massoud S.) Stephan; Damjan Šterk; Barbara Modec; Barbara Mohar","Study of the Reaction of Bulky Aryllithium Reagents with 3,4-Dimethyl-2,5-diphenyl-1,3,2-oxazaphospholidine-2-borane Derived from Ephedrine","Journal of Organic Chemistry","2007","72","","8010","8018","10.1021/jo7014505","","","0.71073","MoKα","","0.0484","0.0405","","","0.1136","0.1193","","","","","","1.139","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023024","5.2691","0.0011","14.262","0.003","21.962","0.004","90","","90","","90","","1650.3","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F4 N O4 -","- C17 H17 F4 N O4 -","- C68 H68 F16 N4 O16 -","4","1","","Santos Fustero; Begoña Fernández; Juan F. Sanz-Cervera; Natalia Mateu; Silvia Mosulén; Rodrigo J. Carbajo; Antonio Pineda-Lucena; Carmen Ramírez de Arellano","Asymmetric Synthesis of Fluorinated Amino Macrolactones through Ring-Closing Metathesis","Journal of Organic Chemistry","2007","72","","8716","8723","10.1021/jo701484w","","","0.71073","MoKα","","0.2087","0.1818","","","0.4354","0.4479","","","","","","2.495","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023025","5.1217","0.001","13.763","0.003","22.709","0.005","90","","90","","90","","1600.8","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 F2 N O4 -","- C17 H19 F2 N O4 -","- C68 H76 F8 N4 O16 -","4","1","","Santos Fustero; Begoña Fernández; Juan F. Sanz-Cervera; Natalia Mateu; Silvia Mosulén; Rodrigo J. Carbajo; Antonio Pineda-Lucena; Carmen Ramírez de Arellano","Asymmetric Synthesis of Fluorinated Amino Macrolactones through Ring-Closing Metathesis","Journal of Organic Chemistry","2007","72","","8716","8723","10.1021/jo701484w","","","0.71073","MoKα","","0.0624","0.0385","","","0.0735","0.0806","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023028","6.2709","0.0004","17.9596","0.001","18.5642","0.0012","90","","90","","90","","2090.8","0.2","173","2","173","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","1","","Philip J. Parsons; Lewis Pennicott; James Eshelby; Matthias Goessman; Adrian Highton; Peter Hitchcock","A Total Synthesis of Galbonolide B","Journal of Organic Chemistry","2007","72","","9387","9390","10.1021/jo701509r","","x-ray","0.71073","MoKα","","0.0904","0.0661","","","0.173","0.2048","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023037","8.3073","0.0004","10.3617","0.0005","20.5313","0.0009","90","","90","","90","","1767.29","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","","Bryson W. Katona; Nigam P. Rath; Shrikant Anant; William F. Stenson; Douglas F. Covey","Enantiomeric Deoxycholic Acid: Total Synthesis, Characterization, and Preliminary Toxicity toward Colon Cancer Cell Lines","Journal of Organic Chemistry","2007","72","","9298","9307","10.1021/jo701559q","","","0.71073","MoKα","","0.047","0.04","","","0.0882","0.092","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023057","7.2301","0.0002","17.5814","0.0008","19.1174","0.0008","90","","90","","90","","2430.11","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N3 O8 -","- C26 H25 N3 O8 -","- C104 H100 N12 O32 -","4","1","","Alicia Boto; Dácil Hernández; Rosendo Hernández; Eleuterio Álvarez","One-Pot Synthesis of Acyclic Nucleosides from Carbohydrate Derivatives, by Combination of Tandem and Sequential Reactions","Journal of Organic Chemistry","2007","72","","9523","9532","10.1021/jo701608p","","","0.71073","MoKα","","0.079","0.042","","","0.0855","0.0982","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023058","8.1672","0.0003","13.4581","0.0006","31.873","0.0012","90","","90","","90","","3503.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 I N2 O7 -","- C14 H19 I N2 O7 -","- C112 H152 I8 N16 O56 -","8","2","","Alicia Boto; Dácil Hernández; Rosendo Hernández; Eleuterio Álvarez","One-Pot Synthesis of Acyclic Nucleosides from Carbohydrate Derivatives, by Combination of Tandem and Sequential Reactions","Journal of Organic Chemistry","2007","72","","9523","9532","10.1021/jo701608p","","","0.71073","MoKα","","0.0896","0.0531","","","0.1012","0.1126","","","","","","0.989","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023071","5.7476","0.0016","10.267","0.003","29.264","0.008","90","","90","","90","","1726.8","0.8","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C88 H72 O8 S4 -","4","1","","Hong Cao; Wen-Jing Xiao; Howard Alper","Dramatic Effects of Ionic Liquids on the Palladium-Catalyzed Cyclocarbonylation of Enynols with Thiols","Journal of Organic Chemistry","2007","72","","8562","8564","10.1021/jo701675e","","","0.71073","MoKα","","0.0592","0.044","","","0.109","0.1177","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023073","10.754","0.004","11.152","0.004","15.233","0.005","90","","90","","90","","1826.8","1.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Br N O3 -","- C20 H20 Br N O3 -","- C80 H80 Br4 N4 O12 -","4","1","","Jamie L. Zigterman; Jacqueline C. S. Woo; Shawn D. Walker; Jason S. Tedrow; Christopher J. Borths; Emilio E. Bunel; Margaret M. Faul","Highly Selective Rhodium-Catalyzed Conjugate Addition Reactions of 4-Oxobutenamides","Journal of Organic Chemistry","2007","72","","8870","8876","10.1021/jo701682c","","","0.71073","MoKα","","0.0392","0.0316","","","0.0736","0.0766","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023074","6.436","0.002","11.263","0.004","24.913","0.009","90","","90","","90","","1806","1.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Br N O3 -","- C20 H20 Br N O3 -","- C80 H80 Br4 N4 O12 -","4","1","","Jamie L. Zigterman; Jacqueline C. S. Woo; Shawn D. Walker; Jason S. Tedrow; Christopher J. Borths; Emilio E. Bunel; Margaret M. Faul","Highly Selective Rhodium-Catalyzed Conjugate Addition Reactions of 4-Oxobutenamides","Journal of Organic Chemistry","2007","72","","8870","8876","10.1021/jo701682c","","","0.71073","MoKα","","0.0746","0.0538","","","0.1175","0.127","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023075","10.207","0.002","15.353","0.003","18.652","0.004","90","","90","","90","","2922.9","1","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 B F4 P2 Rh -","- C31 H40 B F4 P2 Rh -","- C124 H160 B4 F16 P8 Rh4 -","4","1","","Jamie L. Zigterman; Jacqueline C. S. Woo; Shawn D. Walker; Jason S. Tedrow; Christopher J. Borths; Emilio E. Bunel; Margaret M. Faul","Highly Selective Rhodium-Catalyzed Conjugate Addition Reactions of 4-Oxobutenamides","Journal of Organic Chemistry","2007","72","","8870","8876","10.1021/jo701682c","","","0.71073","MoKα","","0.0366","0.0297","","","0.0665","0.0692","","","","","","1.02","","","","has coordinates","178409","2020-10-21","18:00:00",""
"4023082","7.2975","0.0007","9.7288","0.0009","11.1396","0.0011","90","","90","","90","","790.87","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","compound 8g (RS-300, 1237)","(-)-(1R,2R,6R,7S)-4,8-Dioxa-tricyclo[5.2.2.0^2,6^]undecan-9-one","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Radka Snajdrova; Ingbert Braun; Thorsten Bach; Kurt Mereiter; Marko D. Mihovilovic","Biooxidation of Bridged Cycloketones Using Baeyer-Villiger Monooxygenases of Various Bacterial Origin","Journal of Organic Chemistry","2007","72","","9597","9603","10.1021/jo701704x","","","0.71073","MoKα","","0.0357","0.0345","","","0.0891","0.0906","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023083","6.2699","0.0014","6.4057","0.0014","22.715","0.005","90","","90","","90","","912.3","0.4","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N O6 -","- C8 H11 N O6 -","- C32 H44 N4 O24 -","4","1","","Jamie L. Cohen; A. Richard Chamberlin","Diastereoselective Synthesis of Glutamate-Appended Oxolane Rings: Synthesis of (S)-(+)-Lycoperdic Acid","Journal of Organic Chemistry","2007","72","","9240","9247","10.1021/jo7017137","","","0.71073","MoKα","","0.05","0.0421","","","0.1022","0.1104","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023100","6.3666","0.0004","15.3404","0.0009","17.1852","0.0013","90","","90","","90","","1678.41","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Sha Lou; Peng Dai; Scott E. Schaus","Asymmetric Mannich Reaction of Dicarbonyl Compounds with α-Amido Sulfones Catalyzed by Cinchona Alkaloids and Synthesis of Chiral Dihydropyrimidones","Journal of Organic Chemistry","2007","72","","9998","10008","10.1021/jo701777g","","","0.71073","MoKα","","0.0455","0.0331","","","0.0785","0.0835","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023102","6.0607","0.0008","15.52","0.002","20.018","0.003","90","","90","","90","","1883","0.4","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cmc0546b","","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C80 H120 N8 O12 -","4","1","","Zhenlei Song; Richard P. Hsung; Ting Lu; Andrew G. Lohse","Studies on a Urea-Directed Stork-Crabtree Hydrogenation. Synthesis of the C1-C9 Subunit of (+)-Zincophorin","Journal of Organic Chemistry","2007","72","","9722","9731","10.1021/jo7017922","","","0.49594","synchrotron","","0.0463","0.044","","","0.1211","0.1228","","","","","","1.128","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023104","6.6268","0.0002","11.6519","0.0005","13.942","0.0006","90","","90","","90","","1076.53","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 O2 -","- C11 H18 O2 -","- C44 H72 O8 -","4","1","","Ryan M. Moslin; Timothy F. Jamison","Total Synthesis of (+)-Acutiphycin","Journal of Organic Chemistry","2007","72","","9736","9745","10.1021/jo701821h","","","0.71073","MoKα","","0.0354","0.0343","","","0.0903","0.0921","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023105","11.609","0.0006","16.6719","0.0009","24.1579","0.0014","90","","90","","90","","4675.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H72 O8 Si -","- C47 H72 O8 Si -","- C188 H288 O32 Si4 -","4","1","","Ryan M. Moslin; Timothy F. Jamison","Total Synthesis of (+)-Acutiphycin","Journal of Organic Chemistry","2007","72","","9736","9745","10.1021/jo701821h","","","0.71073","MoKα","","0.0533","0.0464","","","0.1278","0.1352","","","","","","1.041","","","","has coordinates,has disorder","178410","2020-10-21","18:00:00",""
"4023108","9.3625","0.0006","15.8704","0.001","29.0242","0.0019","90","","90","","90","","4312.6","0.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H58 Mo N2 O4 -","- C44 H58 Mo N2 O4 -","- C176 H232 Mo4 N8 O16 -","4","1","","Hongwei Yang; Hongsong Wang; Chengjian Zhu","Enantioselective Pinacol Coupling of Aryl Aldehydes Catalyzed by Chiral Salan-Mo(IV) Complexes","Journal of Organic Chemistry","2007","72","","10029","10034","10.1021/jo701842r","","","0.71073","MoKα","","0.0743","0.0615","","","0.1267","0.1299","","","","","","1.027","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023109","7.553","0.001","10.746","0.002","13.435","0.002","90","","90","","90","","1090.4","0.25","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O4 S -","- C10 H12 O4 S -","- C40 H48 O16 S4 -","4","1","","Xiao-Ying Xu; Zhuo Tang; Yan-Zhao Wang; Shi-Wei Luo; Lin-Feng Cun; Liu-Zhu Gong","Asymmetric Organocatalytic Direct Aldol Reactions of Ketones with α-Keto Acids and Their Application to the Synthesis of 2-Hydroxy-γ-butyrolactones","Journal of Organic Chemistry","2007","72","","9905","9913","10.1021/jo701868t","","","0.71073","MoKα","","0.0478","0.0359","","","0.0826","0.086","","","","","","1.024","","","","has coordinates","178410","2020-10-21","18:00:00",""
"4023111","4.6829","0.0017","9.907","0.004","25.146","0.009","90","","90","","90","","1166.6","0.7","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Xiang Zhou; Wen-Jun Liu; Jian-Liang Ye; Pei-Qiang Huang","Complementary Stereocontrolled Approaches to 2-Pyrrolidinones Bearing a Vicinal Amino Diol Subunit with Three Continuous Chiral Centers: A Formal Asymmetric Synthesis of (-)-Detoxinine","Journal of Organic Chemistry","2007","72","","8904","8909","10.1021/jo7018784","","","0.71073","MoKα","","0.0674","0.0627","","","0.1457","0.1486","","","","","","1.103","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023125","10.2056","0.0002","10.8445","0.0002","27.121","0.0004","90","","90","","90","","3001.61","0.09","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 N2 O7 S2 -","- C27 H44 N2 O7 S2 -","- C108 H176 N8 O28 S8 -","4","1","","David M. Hodgson; Philip G. Humphreys; Steven M. Miles; Christopher A. J. Brierley; John G. Ward","Dimerization and Isomerization Reactions of α-Lithiated Terminal Aziridines","Journal of Organic Chemistry","2007","72","","10009","10021","10.1021/jo701901t","","","0.71073","MoKα","","0.0794","0.0386","","0.0813","0.0416","0.0416","","","","","","1.0555","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023136","9.253","0.002","11.5508","0.0008","12.831","0.003","90","","90","","90","","1371.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 S2 -","- C13 H15 N O3 S2 -","- C52 H60 N4 O12 S8 -","4","1","","Flavio Cermola; Annalisa Guaragna; Maria Rosaria Iesce; Giovanni Palumbo; Raffaella Purcaro; Maria Rubino; Angela Tuzi","New Insight into the Reaction of Singlet Oxygen with Sulfur-Containing Cyclic Alkenes: Dye-Sensitized Photooxygenation of 5,6-Dihydro-1,4-dithiins","Journal of Organic Chemistry","2007","72","","10075","10080","10.1021/jo701983v","","x-ray","0.71073","MoKα","","0.1106","0.0552","","","0.1006","0.1163","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023163","5.36","0.0012","6.9759","0.0015","18.844","0.004","90","","90","","90","","704.6","0.3","130","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","1","","Yit Wooi Goh; Brett R. Pool; Jonathan M. White","Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide","Journal of Organic Chemistry","2008","73","","151","156","10.1021/jo7018575","","","0.71073","MoKα","","0.044","0.0407","","","0.0977","0.0998","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023171","8.1113","0.0012","14.058","0.002","21.632","0.003","90","","90","","90","","2466.7","0.7","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N3 O -","- C28 H33 N3 O -","- C112 H132 N12 O4 -","4","1","","Akemi Ryoda; Nana Yajima; Toyokazu Haga; Takuya Kumamoto; Waka Nakanishi; Masatoshi Kawahata; Kentaro Yamaguchi; Tsutomu Ishikawa","Optical Resolution of (\±)-1,2-Bis(2-methylphenyl)ethylene-1,2-diamine as a Chiral Framework for 2-Iminoimidazolidine with 2-Methylphenyl Pendant and the Guanidine-Catalyzed Asymmetric Michael Reaction of tert-Butyl Diphenyliminoacetate and Ethyl Acrylate","Journal of Organic Chemistry","2008","73","","133","141","10.1021/jo701923z","","","0.71073","MoKα","","0.0714","0.0537","","","0.1368","0.1521","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023176","8.066","0.0009","28.263","0.002","5.5141","0.0007","90","","90","","90","","1257","0.2","198.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O -","- C15 H15 Cl O -","- C60 H60 Cl4 O4 -","4","1","","Ram Shanker Singh; Shinya Adachi; Fumi Tanaka; Toyonao Yamauchi; Chieko Inui; Toshiro Harada","Oxazaborolidinone-Catalyzed Enantioselective Diels-Alder Reaction of Acyclic α,β-Unsaturated Ketones","Journal of Organic Chemistry","2008","73","","212","218","10.1021/jo702043g","","","1.54178","CuKα","","","0.0384","","","","0.1024","","","","","","0.523","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023203","7.9972","0.0012","9.8137","0.0017","24.997","0.004","90","","90","","90","","1961.8","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O8 -","- C19 H23 N O8 -","- C76 H92 N4 O32 -","4","1","","Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios; Esther M. S. Pérez","Chiral N-Acyloxazolidines: Synthesis, Structure, and Mechanistic Insights","Journal of Organic Chemistry","2008","73","","661","672","10.1021/jo702149m","","","0.71073","MoKα","","0.0555","0.0379","","","0.0871","0.0934","","","","","","1.144","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023247","4.5573","0.0004","10.7409","0.0009","21.1615","0.0017","90","","90","","90","","1035.84","0.15","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C44 H36 N12 O8 -","4","1","","John Kallikat Augustine; Yanjerappa Arthoba Naik; Ashis Baran Mandal; Umesha Kundapur","An Unusual Reaction of Benzalaminoacetals in Trifluoroacetic Acid: Facile Synthesis of 2-Benzylpyrazines","Journal of Organic Chemistry","2008","73","","1176","1179","10.1021/jo702448a","","","0.71073","MoKα","","0.037","0.0355","","","0.0976","0.0998","","","","","","1.11","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4023248","18.146","0.002","26.468","0.003","35.413","0.003","90","","90","","90","","17008","3","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C165 H201 Br4 Cl3 N16 O32 -","- C165 H201 Br4 Cl3 N16 O32 -","- C660 H804 Br16 Cl12 N64 O128 -","4","1","","Stephen Hanessian; Valerio Vinci; Kamal Fettis; Thierry Maris; Minh Tan Phan Viet","Self-Assembly of Noncyclic Bis-D- and L-tripeptides into Higher Order Tubular Constructs: Design, Synthesis, and X-ray Crystal Superstructure","Journal of Organic Chemistry","2008","73","","1181","1191","10.1021/jo701621c","","","1.54178","CuKα","","0.0937","0.0888","","","0.2119","0.2133","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023254","6.7914","0.0002","15.6058","0.0005","18.4686","0.0006","90","","90","","90","","1957.4","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C88 H100 N12 O4 -","4","1","","Christopher J. MacNevin; Rhonda L. Moore; Dennis C. Liotta","Stereoselective Synthesis of Quaternary Center Bearing Azetines and Their β-Amino Acid Derivatives","Journal of Organic Chemistry","2008","73","","1264","1269","10.1021/jo7018202","","","1.54178","CuKα","","0.0279","0.0273","","","0.0744","0.0749","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023255","5.417","0.0001","18.3781","0.0005","19.1656","0.0005","90","","90","","90","","1908.02","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N3 O -","- C22 H25 N3 O -","- C88 H100 N12 O4 -","4","1","","Christopher J. MacNevin; Rhonda L. Moore; Dennis C. Liotta","Stereoselective Synthesis of Quaternary Center Bearing Azetines and Their β-Amino Acid Derivatives","Journal of Organic Chemistry","2008","73","","1264","1269","10.1021/jo7018202","","","1.54178","CuKα","","0.0296","0.0288","","","0.07","0.0706","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023261","9.4831","0.0006","11.4227","0.0007","12.2955","0.0008","90","","90","","90","","1331.88","0.15","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N3 O S -","- C15 H11 N3 O S -","- C60 H44 N12 O4 S4 -","4","1","","Ahmad Basheer; Zvi Rappoport","A Rich Array of Reactions of Cyanomonothiocarbonylmalonamides RNHCSCH(CN)CONHR' and Their Thioenols RNHC(SH)=C(CN)CONHR'","Journal of Organic Chemistry","2008","73","","1386","1396","10.1021/jo7022262","","","0.71073","MoKα","","0.0375","0.0353","","","0.0897","0.0913","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023295","9.5172","0.0017","15.659","0.003","17.026","0.003","90","","90","","90","","2537.3","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","jrc2491n","","","- C24 H35 Cl N2 O3 -","- C24 H35 Cl N2 O3 -","- C96 H140 Cl4 N8 O12 -","4","1","","John Limanto; C. Scott Shultz; Benjamin Dorner; Richard A. Desmond; Paul N. Devine; Shane W. Krska","Synthesis of a Tertiary Carbinamide via a Novel Rh-Catalyzed Asymmetric Hydrogenation","Journal of Organic Chemistry","2008","73","","1639","1642","10.1021/jo702429u","","","0.71073","MoKα","","0.0641","0.0454","","","0.1023","0.1077","","","","","","0.89","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023303","6.5795","0.0006","17.0246","0.0014","27.565","0.002","90","","90","","90","","3087.6","0.5","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N2 O8 -","- C30 H44 N2 O8 -","- C120 H176 N8 O32 -","4","1","","Rishi G. Vaswani; A. Richard Chamberlin","Stereocontrolled Total Synthesis of (-)-Kaitocephalin","Journal of Organic Chemistry","2008","73","","1661","1681","10.1021/jo702329z","","","0.71073","MoKα","","0.0518","0.0351","","","0.0708","0.0783","","","","","","1.064","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4023304","9.8901","0.001","10.1942","0.001","19.957","0.002","90","","90","","90","","2012.1","0.3","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O5 -","- C20 H26 N2 O5 -","- C80 H104 N8 O20 -","4","1","","Rishi G. Vaswani; A. Richard Chamberlin","Stereocontrolled Total Synthesis of (-)-Kaitocephalin","Journal of Organic Chemistry","2008","73","","1661","1681","10.1021/jo702329z","","","0.71073","MoKα","","0.0363","0.0304","","","0.0757","0.0798","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023316","6.297","0.001","12.593","0.001","18.072","0.002","90","","90","","90","","1433.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Francesca Cardona; Daniela Lalli; Cristina Faggi; Andrea Goti; Alberto Brandi","Quasienantiomeric Levoglucosenone and Isolevoglucosenone Allow the Parallel Kinetic Resolution of a Racemic Nitrone","Journal of Organic Chemistry","2008","73","","1999","2002","10.1021/jo702403b","","","1.54178","CuKα","","0.035","0.0341","","","0.0925","0.0941","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023317","7.336","0.001","8.994","0.001","22.175","0.001","90","0.004","90","0.004","90","0.006","1463.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Francesca Cardona; Daniela Lalli; Cristina Faggi; Andrea Goti; Alberto Brandi","Quasienantiomeric Levoglucosenone and Isolevoglucosenone Allow the Parallel Kinetic Resolution of a Racemic Nitrone","Journal of Organic Chemistry","2008","73","","1999","2002","10.1021/jo702403b","","","1.54178","CuKα","","0.0473","0.0465","","","0.1304","0.1318","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023323","5.6873","0.0004","23.3061","0.0018","23.7168","0.0018","90","","90","","90","","3143.6","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H41 Cl N2 Pd -","- C36 H41 Cl N2 Pd -","- C144 H164 Cl4 N8 Pd4 -","4","1","","Hwimin Seo; Dimitri Hirsch-Weil; Khalil A. Abboud; Sukwon Hong","Development of Biisoquinoline-Based Chiral Diaminocarbene Ligands: Enantioselective S~N~2' Allylic Alkylation Catalyzed by Copper-Carbene Complexes","Journal of Organic Chemistry","2008","73","","1983","1986","10.1021/jo702512z","","","0.71073","MoKα","","0.0532","0.0377","","","0.084","0.0877","","","","","","0.972","","","","has coordinates,has disorder","178412","2020-10-21","18:00:00",""
"4023324","8.1197","0.0005","12.2354","0.0006","24.5388","0.0016","90","","90","","90","","2437.9","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 O2 -","- C34 H28 O2 -","- C136 H112 O8 -","4","1","","Petr Sehnal; Zuzana Krausová; Filip Teplý; Irena G. Stará; Ivo Starý; Lubomír Rulíšek; David Šaman; Ivana Císařová","On the Origin of Diastereoselectivity in [2 + 2 + 2] Cycloisomerization of Chiral Triynes: Controlling Helicity of Helicene-like Compounds by Thermodynamic Factors","Journal of Organic Chemistry","2008","73","","2074","2082","10.1021/jo701997p","","","0.71073","MoKα","","0.0452","0.0296","","","0.0605","0.063","","","","","","0.916","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023346","5.7838","0.001","13.321","0.002","20.084","0.004","90","","90","","90","","1547.4","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","1","","Zhi-Hua Sun; Bing Wang","A Facile and Practical Synthesis of Peracylated 4-Thio-D-ribofuranoses from D-Glucose","Journal of Organic Chemistry","2008","73","","2462","2465","10.1021/jo7026596","","","0.71073","MoKα","","0.0458","0.0343","","","0.0881","0.096","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023355","6.0582","0.0003","13.239","0.0006","20.3127","0.0009","90","","90","","90","","1629.17","0.13","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C68 H92 N4 O20 -","4","1","","Christopher J. Hayes; Alexandra E. Sherlock; Martin P. Green; Claire Wilson; Alexander J. Blake; Matthew D. Selby; Jeremy C. Prodger","Enantioselective Total Syntheses of Omuralide, 7-epi-Omuralide, and (+)-Lactacystin","Journal of Organic Chemistry","2008","73","","2041","2051","10.1021/jo7027695","","","1.5418","CuKα","","0.0274","0.0265","","","0.0684","0.0689","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023356","8.1931","0.0011","9.2321","0.0013","19.795","0.003","90","","90","","90","","1497.3","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Christopher J. Hayes; Alexandra E. Sherlock; Martin P. Green; Claire Wilson; Alexander J. Blake; Matthew D. Selby; Jeremy C. Prodger","Enantioselective Total Syntheses of Omuralide, 7-epi-Omuralide, and (+)-Lactacystin","Journal of Organic Chemistry","2008","73","","2041","2051","10.1021/jo7027695","","","0.71073","MoKα","","0.0467","0.0396","","","0.0979","0.1012","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023358","8.9855","0.0006","14.5769","0.0006","21.2416","0.0009","90","","90","","90","","2782.2","0.4","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C112 H144 O24 S8 -","8","2","","Mohammad N. Noshi; Ahmad El-Awa; Philip L. Fuchs","Second-Generation Synthesis of syn- and anti-Cycloheptadienylsulfone Polyketide Stereodiads","Journal of Organic Chemistry","2008","73","","3274","3277","10.1021/jo702353e","","","0.71073","MO-Kα","","","0.063","","","","0.107","","","","","","1.066","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023361","5.7913","0.0019","12.976","0.003","17.478","0.004","90","","90","","90","","1313.4","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-α-phenylethyl-t-butylsulfinamide","","- C12 H19 N O S -","- C12 H19 N O S -","- C48 H76 N4 O4 S4 -","4","1","","Ana G. Petrovic; Prasad L. Polavarapu; Jozef Drabowicz; Piotr Łyźwa; Marian Mikołajczyk; Wanda Wieczorek; Agnieszka Balińska","Diastereomers of N-α-Phenylethyl-t-butylsulfinamide: Absolute Configurations and Predominant Conformations","Journal of Organic Chemistry","2008","73","","3120","3129","10.1021/jo702544g","","","1.54178","CuKα","","0.0486","0.0481","","","0.129","0.1305","","","","","","1.081","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023363","8.3935","0.0009","12.9928","0.0014","15.2944","0.0017","90","","90","","90","","1667.9","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Derrick L. J. Clive; Dazhan Liu","Synthesis of the Potent Anticancer Agents Ottelione A and Ottelione B in Both Racemic and Natural Optically Pure Forms","Journal of Organic Chemistry","2008","73","","3078","3087","10.1021/jo702635t","","","0.71073","MoKα","","0.0631","0.0439","","","0.1005","0.1107","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023367","13.3853","0.0003","20.4715","0.0004","36.452","0.0007","90","","90","","90","","9988.5","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H146 N4 O19 Si12 -","- C66 H146 N4 O19 Si12 -","- C264 H584 N16 O76 Si48 -","4","1","","David Rodríguez-Lucena; Juan M. Benito; Eleuterio Álvarez; Carlos Jaime; Javier Perez-Mirón; Carmen Ortiz Mellet; José M. García Fernández","Synthesis, Structure, and Inclusion Capabilities of Trehalose-Based Cyclodextrin Analogues (Cyclotrehalans)","Journal of Organic Chemistry","2008","73","","2967","2979","10.1021/jo800048s","","","0.71073","MoKα","","0.0556","0.0438","","","0.1119","0.1195","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023371","10.269","0.001","13.329","0.001","16.469","0.001","90","","90","","90","","2254.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C88 H112 N16 O24 -","4","1","","Luelak Lomlim; Juergen Einsiedel; Frank W. Heinemann; Karsten Meyer; Peter Gmeiner","Proline Derived Spirobarbiturates as Highly Effective β-Turn Mimetics Incorporating Polar and Functionalizable Constraint Elements","Journal of Organic Chemistry","2008","73","","3608","3611","10.1021/jo702573z","","","0.71073","MoKα","","0.0346","0.0276","","","0.0645","0.068","","","","","","1.133","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023380","9.4476","0.0019","11.306","0.002","25.017","0.005","90","","90","","90","","2672.3","0.9","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 O8 -","- C29 H34 O8 -","- C116 H136 O32 -","4","1","","W. Sean Fyvie; Mark W. Peczuh","Diastereoselectivity in Epoxidation of Carbohydrate Fused [13]-Macro-dilactones","Journal of Organic Chemistry","2008","73","","3626","3629","10.1021/jo800027y","","","0.71073","MoKα","","0.0954","0.0496","","","0.096","0.1096","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023382","6.5095","0.001","10.8159","0.0016","19.672","0.003","90","","90","","90","","1385","0.4","233","2","233","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Cl2 N2 O -","- C12 H20 Cl2 N2 O -","- C48 H80 Cl8 N8 O4 -","4","1","","Balwinder S. Bhatti; Jon-Paul Strachan; Scott R. Breining; Craig H. Miller; Persida Tahiri; Peter A. Crooks; Niranjan Deo; Cynthia S. Day; William S. Caldwell","Synthesis of 2-(Pyridin-3-yl)-1-azabicyclo[3.2.2]nonane, 2-(Pyridin-3-yl)-1-azabicyclo[2.2.2]octane, and 2-(Pyridin-3-yl)-1-azabicyclo[3.2.1]octane, a Class of Potent Nicotinic Acetylcholine Receptor‒Ligands","Journal of Organic Chemistry","2008","73","","3497","3507","10.1021/jo800028q","","","0.71073","MoKα","","0.0822","0.0479","","","0.0788","0.0883","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023384","6.5387","0.0014","10.856","0.003","19.694","0.004","90","","90","","90","","1397.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Cl2 N2 O -","- C12 H20 Cl2 N2 O -","- C48 H80 Cl8 N8 O4 -","4","1","","Balwinder S. Bhatti; Jon-Paul Strachan; Scott R. Breining; Craig H. Miller; Persida Tahiri; Peter A. Crooks; Niranjan Deo; Cynthia S. Day; William S. Caldwell","Synthesis of 2-(Pyridin-3-yl)-1-azabicyclo[3.2.2]nonane, 2-(Pyridin-3-yl)-1-azabicyclo[2.2.2]octane, and 2-(Pyridin-3-yl)-1-azabicyclo[3.2.1]octane, a Class of Potent Nicotinic Acetylcholine Receptor‒Ligands","Journal of Organic Chemistry","2008","73","","3497","3507","10.1021/jo800028q","","","0.71073","MoKα","","0.084","0.0474","","","0.0847","0.0967","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023387","10.0109","0.0007","12.1078","0.0009","20.4358","0.0015","90","","90","","90","","2477","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O4 -","- C25 H34 N2 O4 -","- C100 H136 N8 O16 -","4","1","","Huan-Huan Zhang; Xiu-Qin Hu; Xiao Wang; Yong-Chun Luo; Peng-Fei Xu","A Convenient Route to Enantiopure 3-Aryl-2,3-diaminopropanoic Acids by Diastereoselective Mannich Reaction of Camphor-Based Tricyclic Iminolactone with Imines","Journal of Organic Chemistry","2008","73","","3634","3637","10.1021/jo8001408","","","0.71073","MoKα","","0.05","0.0373","","","0.0968","0.1053","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023398","10.886","0.001","11.995","0.001","23.999","0.002","90","","90","","90","","3133.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C144 H128 N16 O24 -","8","2","","Angela Salcedo; Luc Neuville; Jieping Zhu","Palladium-Catalyzed Intramolecular C-Arylation of Benzylic Carbon: Synthesis of 3-Benzoxazolylisoindolinones by a Sequence of Ugi-4CR/Postfunctionalization","Journal of Organic Chemistry","2008","73","","3600","3603","10.1021/jo800266y","","","0.71069","MoKα","","0.0632","0.0396","","","0.0861","0.0986","","","","","","1.063","","","","has coordinates","178412","2020-10-21","18:00:00",""
"4023399","4.8667","0.0001","17.233","0.0006","20.4925","0.0008","90","","90","","90","","1718.66","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C80 H96 N8 O8 -","4","1","","Jacob M. Plummer; Jeremy A. Weitgenant; Bruce C. Noll; Joseph W. Lauher; Olaf Wiest; Paul Helquist","Synthesis, Structure, and Metal Complexation Behavior of a New Type of Functionalized Chiral Phenanthroline Derivative","Journal of Organic Chemistry","2008","73","","3911","3914","10.1021/jo702566m","","","0.71073","MoKα","","0.0728","0.0614","","","0.1789","0.1889","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023424","12.659","0.004","15.502","0.002","18.822","0.003","90","","90","","90","","3693.6","1.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","diRh30","","","- C35 H50 N2 O8 Rh2 -","- C35 H50 N2 O8 Rh2 -","- C140 H200 N8 O32 Rh8 -","4","1","","Alexandre F. Trindade; Pedro M. P. Gois; Luís F. Veiros; Vânia André; M. Teresa Duarte; Carlos A. M. Afonso; Stephen Cack; F. Geoffrey; N. Cloke","Axial Coordination of NHC Ligands on Dirhodium(II) Complexes: Generation of a New Family of Catalysts","Journal of Organic Chemistry","2008","73","","4076","4086","10.1021/jo800087n","","","0.71069","MoKα","","0.0591","0.0422","","","0.073","0.0779","","","","","","0.955","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023430","8.7851","0.0005","16.197","0.001","24.2681","0.001","90","","90","","90","","3453.2","0.3","273","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 Cl2 N3 O3 Ru -","- C36 H47 Cl2 N3 O3 Ru -","- C144 H188 Cl8 N12 O12 Ru4 -","4","1","","Diane Rix; Fréderic Caijo; Isabelle Lauret; Fabien Boeda; Hervé Clavier; Steven P. Nolan; Marc Mauduit","Aminocarbonyl Group Containing Hoveyda-Grubbs-Type Complexes: Synthesis and Activity in Olefin Metathesis Transformations","Journal of Organic Chemistry","2008","73","","4225","4228","10.1021/jo800203d","","","0.71073","MoKα","","0.0732","0.0486","","","0.0793","0.0879","","","","","","1.006","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023433","5.6815","0.0003","10.3788","0.001","28.193","0.003","90","","90","","90","","1662.5","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 S -","- C17 H22 O4 S -","- C68 H88 O16 S4 -","4","1","","Joy Krishna Maity; Ramprasad Ghosh; Michael G. B. Drew; Basudeb Achari; Sukhendu B. Mandal","Introduction of Vinyl and Hydroxymethyl Functionalities at C-4 of Glucose-Derived Substrates: Synthesis of Spirocyclic, Bicyclic, and Tricyclic Nucleosides","Journal of Organic Chemistry","2008","73","","4305","4308","10.1021/jo8002826","","","0.71073","MoKα","","0.0582","0.0427","","","0.0881","0.0927","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023434","5.5368","0.0004","14.889","0.004","15.8296","0.0014","90","","90","","90","","1304.9","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 O7 S -","- C11 H18 O7 S -","- C44 H72 O28 S4 -","4","1","","Joy Krishna Maity; Ramprasad Ghosh; Michael G. B. Drew; Basudeb Achari; Sukhendu B. Mandal","Introduction of Vinyl and Hydroxymethyl Functionalities at C-4 of Glucose-Derived Substrates: Synthesis of Spirocyclic, Bicyclic, and Tricyclic Nucleosides","Journal of Organic Chemistry","2008","73","","4305","4308","10.1021/jo8002826","","","0.71073","MoKα","","0.0319","0.0279","","","0.0706","0.0726","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023442","8.083","0.0004","9.186","0.0004","14.877","0.0006","90","","90","","90","","1104.62","0.09","290","1","290","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 O3 Se -","- C10 H12 N2 O3 Se -","- C40 H48 N8 O12 Se4 -","4","1","","Dilip K. Tosh; Won Jun Choi; Hea Ok Kim; Yoonji Lee; Shantanu Pal; Xiyan Hou; Jungwon Choi; Sun Choi; Lak Shin Jeong","Stereoselective Synthesis and Conformational Study of Novel 2',3'-Didehydro-2',3'-dideoxy-4'-selenonucleosides","Journal of Organic Chemistry","2008","73","","4259","4262","10.1021/jo8003277","","","0.71073","MoKα","","0.0709","0.0358","","","0.0541","0.0795","","","","","","1.27","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023443","4.95195","0.00012","13.432","0.0003","16.9083","0.0005","90","","90","","90","","1124.65","0.05","293","2","293","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 O5 Se -","- C9 H12 N2 O5 Se -","- C36 H48 N8 O20 Se4 -","4","1","","Dilip K. Tosh; Won Jun Choi; Hea Ok Kim; Yoonji Lee; Shantanu Pal; Xiyan Hou; Jungwon Choi; Sun Choi; Lak Shin Jeong","Stereoselective Synthesis and Conformational Study of Novel 2',3'-Didehydro-2',3'-dideoxy-4'-selenonucleosides","Journal of Organic Chemistry","2008","73","","4259","4262","10.1021/jo8003277","","","0.71073","MoKα","","0.0297","0.0273","","","0.0621","0.0642","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023453","10.93","0.002","15.33","0.003","24.43","0.005","90","","90","","90","","4093.4","1.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H47 B F4 N2 -","- C55 H47 B F4 N2 -","- C220 H188 B4 F16 N8 -","4","1","","Wenzeng Duan; Yudao Ma; Houqi Xia; Xueying Liu; Qingshuang Ma; Junshan Sun","Design and Synthesis of Planar Chiral Heterocyclic Carbene Precursors Derived from [2.2]Paracyclophane","Journal of Organic Chemistry","2008","73","","4330","4333","10.1021/jo800468x","","","0.71073","MoKα","","0.0533","0.0435","","","0.1215","0.1337","","","","","","1.006","","","","has coordinates","178413","2020-10-21","18:00:00",""
"4023478","8.811","0.005","12.403","0.007","16.004","0.009","90","","90","","90","","1749","1.7","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 F9 N O3 -","- C14 H18 F9 N O3 -","- C56 H72 F36 N4 O12 -","4","1","","Kazumasa Funabiki; Akitsugu Shibata; Hiroki Iwata; Keisuke Hatano; Yasuhiro Kubota; Kenichi Komura; Masahiro Ebihara; Masaki Matsui","Asymmetric Synthesis of (αR)-Polyfluoroalkylated Prolinols Based on the Perfluoroalkyl-Induced Highly Stereoselective Reduction of Perfluoroalkyl N-Boc-pyrrolidyl Ketones","Journal of Organic Chemistry","2008","73","","4694","4697","10.1021/jo8004952","","","0.7107","MoKα","","0.1052","0.0965","","","0.156","0.1586","","","","","","1.378","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023482","6.5797","0.0003","13.1538","0.0006","16.1049","0.0006","90","","90","","90","","1393.85","0.1","213.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Atsushi Shirai; Okiko Miyata; Norimitsu Tohnai; Mikiji Miyata; David J. Procter; David Sucunza; Takeaki Naito","Total Synthesis of (-)-Martinellic Acid via Radical Addition-Cyclization-Elimination Reaction","Journal of Organic Chemistry","2008","73","","4464","4475","10.1021/jo800560p","","","1.54187","CuKα","","","0.0455","","","","0.1532","","","","","","1.199","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023486","9.9402","0.0003","15.3528","0.0005","16.3562","0.0005","90","","90","","90","","2496.12","0.13","98.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Au Cl N2 O2 -","- C29 H26 Au Cl N2 O2 -","- C116 H104 Au4 Cl4 N8 O8 -","4","1","","Yasumasa Matsumoto; Ken-ichi Yamada; Kiyoshi Tomioka","C~2~ Symmetric Chiral NHC Ligand for Asymmetric Quaternary Carbon Constructing Copper-Catalyzed Conjugate Addition of Grignard Reagents to 3-Substituted Cyclohexenones","Journal of Organic Chemistry","2008","73","","4578","4581","10.1021/jo800613h","","","0.71075","MoKα","","","0.0347","","","","0.0544","","","","","","1.385","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023494","10.677","0.002","10.959","0.002","21.188","0.005","90","","90","","90","","2479.1","0.9","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","9-Anthracen-9-ylmethyl-8-phenyl-7,8,9,10-tetrahydro-6-oxa- 9-aza-5-bora-benzocycloocten-5-ol","","- C31 H28 B N O2 -","- C31 H28 B N O2 -","- C124 H112 B4 N4 O8 -","4","1","","Lina Chi; Jianzhang Zhao; Tony D. James","Chiral Mono Boronic Acid As Fluorescent Enantioselective Sensor for Mono α-Hydroxyl Carboxylic Acids","Journal of Organic Chemistry","2008","73","","4684","4687","10.1021/jo8007622","","","0.71073","MoKα","","0.1173","0.0714","","","0.1556","0.1754","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023504","4.991","0.0003","11.0159","0.0015","39.504","0.003","90","","90","","90","","2171.9","0.4","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br N4 O6 -","- C19 H23 Br N4 O6 -","- C76 H92 Br4 N16 O24 -","4","1","","M. Waqar Aslam; Guuske F. Busscher; David P. Weiner; René de Gelder; Floris P. J. T. Rutjes; Floris L. va Delft","Fully Orthogonally Protected 2-Deoxystreptamine from Kanamycin","Journal of Organic Chemistry","2008","73","","5131","5134","10.1021/jo8004414","","","0.71073","MoKα","","0.1681","0.0765","","0.1476","0.1231","0.1476","","","1.071","","","1.071","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023505","7.9798","0.0005","10.2973","0.0009","17.5711","0.0014","90","","90","","90","","1443.82","0.19","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-(-)-5,11-dimethyldibenzo[b,f][1,5]diazocine-6,12(5H,11H)-dithione","","- C16 H14 N2 S2 -","- C16 H14 N2 S2 -","- C64 H56 N8 S8 -","4","1","","Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński","Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide through Diastereomeric Silver(I) Complex. Circular Dichroism Spectra, Racemization Barrier, and Molecular Self-Assembly","Journal of Organic Chemistry","2008","73","","4859","4864","10.1021/jo8004809","","","0.71073","MoKα","","0.0417","0.033","","","0.0606","0.0636","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023517","6.902","0.0008","11.9281","0.0014","15.0146","0.0016","90","","90","","90","","1236.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","","Jason W. J. Kennedy; Sophia Vietrich; Hilmar Weinmann; Dominic E. A. Brittain","Synthesis of 7a-Substituted Hajos-Wiechert Ketone Analogues","Journal of Organic Chemistry","2008","73","","5151","5154","10.1021/jo800638s","","","1.54178","CuKα","","0.0254","0.0251","","","0.0643","0.0645","","","","","","1.096","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023526","12.5871","0.0009","15.7329","0.0011","23.1693","0.0016","90","","90","","90","","4588.3","0.6","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H40 Br4 O4 -","- C57 H40 Br4 O4 -","- C228 H160 Br16 O16 -","4","1","","Tao Tu; Thierry Maris; James D. Wuest","Synthesis and Structure of Spirocyclic Tetraethers Derived from [1,1'-Binaphthalene]-2,2'-diol and Pentaerythritol","Journal of Organic Chemistry","2008","73","","5255","5263","10.1021/jo800215w","","","1.54178","CuKα","","0.032","0.0314","","","0.0803","0.0807","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023527","11.2577","0.0004","16.6181","0.0006","28.4719","0.0011","90","","90","","90","","5326.6","0.3","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H42 Br8 Cl4 O4 -","- C53 H42 Br8 Cl4 O4 -","- C212 H168 Br32 Cl16 O16 -","4","1","","Tao Tu; Thierry Maris; James D. Wuest","Synthesis and Structure of Spirocyclic Tetraethers Derived from [1,1'-Binaphthalene]-2,2'-diol and Pentaerythritol","Journal of Organic Chemistry","2008","73","","5255","5263","10.1021/jo800215w","","","1.54178","CuKα","","0.0518","0.0517","","","0.1452","0.1454","","","","","","1.064","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023528","13.8546","0.0011","15.2258","0.0014","15.5191","0.0012","90","","90","","90","","3273.7","0.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H32 O4 -","- C45 H32 O4 -","- C180 H128 O16 -","4","1","","Tao Tu; Thierry Maris; James D. Wuest","Synthesis and Structure of Spirocyclic Tetraethers Derived from [1,1'-Binaphthalene]-2,2'-diol and Pentaerythritol","Journal of Organic Chemistry","2008","73","","5255","5263","10.1021/jo800215w","","","1.54178","CuKα","","0.053","0.0497","","","0.1144","0.1151","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023537","7.3333","0.0012","15.522","0.003","21.997","0.004","90","","90","","90","","2503.8","0.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(iPr2P=S)2(C14H8)","9,10-Bis(diisopropylthiophosphoryl)anthracene","","- C26 H36 P2 S2 -","- C26 H36 P2 S2 -","- C104 H144 P8 S8 -","4","1","","Gerald Schwab; Daniel Stern; Dietmar Stalke","Structural and Variable-Temperature NMR Studies of 9-Diisopropylphosphanylanthracenes and 9,10-Bis(diisopropylphosphanyl)anthracenes and Their Oxidation Products","Journal of Organic Chemistry","2008","73","","5242","5247","10.1021/jo800294e","","","0.71073","MoKα","","0.0258","0.0245","","","0.0609","0.0615","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023571","6.6748","0.0005","16.397","0.004","16.741","0.006","90","","90","","90","","1832.2","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N4 -","- C20 H20 N4 -","- C80 H80 N16 -","4","1","","Roman V. Ashirov; Grigory A. Shamov; Olga A. Lodochnikova; I. A. Litvynov; Svetlana A. Appolonova; Vitaly V. Plemenkov","Tetramerization of 3-Methyl-cyclopropene-3-carbonitrile: A Novel CN-Alder-ene Reaction","Journal of Organic Chemistry","2008","73","","5985","5988","10.1021/jo8005254","","","1.54184","CuKα","","0.1639","0.0774","","","0.1725","0.2137","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023579","7.0649","0.0002","13.1724","0.0004","30.7817","0.0008","90","","90","","90","","2864.6","0.14","150","2","150","2","","","","","","","synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C152 H112 O32 -","8","2","","Victorio Cadierno; Josefina Díez; José Gimeno; Noel Nebra","Ruthenium/TFA-Catalyzed Coupling of Activated Secondary Propargylic Alcohols with Cyclic 1,3-Diones: Furan versus Pyran Ring Formation","Journal of Organic Chemistry","2008","73","","5852","5858","10.1021/jo800726u","","","0.71073","MoKα","","0.0745","0.0422","","","0.0959","0.1318","","","","","","0.853","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023583","9.5766","0.0005","11.6275","0.0006","22.7883","0.0012","90","","90","","90","","2537.5","0.2","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N4 O2 -","- C30 H30 N4 O2 -","- C120 H120 N16 O8 -","4","1","","Gabriela Guillena; María del Carmen Hita; Carmen Nájera; Santiago F. Viózquez","A Highly Efficient Solvent-Free Asymmetric Direct Aldol Reaction Organocatalyzed by Recoverable (S)-Binam-l-Prolinamides. ESI-MS Evidence of the Enamine-Iminium Formation","Journal of Organic Chemistry","2008","73","","5933","5943","10.1021/jo800773q","","","0.71073","MoKα","","0.0703","0.0549","","","0.1358","0.1453","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023584","8.2321","0.0005","13.9353","0.0008","17.6655","0.0011","90","","90","","90","","2026.5","0.2","296","2","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","1","","Gabriela Guillena; María del Carmen Hita; Carmen Nájera; Santiago F. Viózquez","A Highly Efficient Solvent-Free Asymmetric Direct Aldol Reaction Organocatalyzed by Recoverable (S)-Binam-l-Prolinamides. ESI-MS Evidence of the Enamine-Iminium Formation","Journal of Organic Chemistry","2008","73","","5933","5943","10.1021/jo800773q","","","0.71073","MoKα","","0.058","0.0424","","","0.1119","0.1222","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023585","5.684","0.002","6.682","0.002","36.02","0.02","90","","90","","90","","1368.1","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C56 H72 N8 O20 -","4","1","","Adam Sniady; Audrey Durham; Marco S. Morreale; Andrzej Marcinek; Slawomir Szafert; Tadeusz Lis; Krystyna R. Brzezinska; Takanori Iwasaki; Takashi Ohshima; Kazushi Mashima; Roman Dembinski","Zinc-Catalyzed Cycloisomerizations. Synthesis of Substituted Furans and Furopyrimidine Nucleosides","Journal of Organic Chemistry","2008","73","","5881","5889","10.1021/jo8007995","","","0.71073","MoKα","","0.0589","0.0521","","","0.115","0.1176","","","","","","1.096","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023586","12.0672","0.0014","15.2049","0.0018","33.606","0.004","90","","90","","90","","6166","1.3","90","","90","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C51 H44 Cl9 D3 F6 O10 P2 Pd S2 -","- C51 H44 Cl9 D3 F6 O10 P2 Pd S2 -","- C204 H176 Cl36 D12 F24 O40 P8 Pd4 S8 -","4","1","","Christian Dubs; Yoshitaka Hamashima; Naoki Sasamoto; Thomas M. Seidel; Shoko Suzuki; Daisuke Hashizume; Mikiko Sodeoka","Mechanistic Studies on the Catalytic Asymmetric Mannich-Type Reaction with Dihydroisoquinolines and Development of Oxidative Mannich-Type Reactions Starting from Tetrahydroisoquinolines","Journal of Organic Chemistry","2008","73","","5859","5871","10.1021/jo800800y","","","0.71073","MoKα","","0.0358","0.0344","","","0.0757","0.0766","","","","","","1.071","","","","has coordinates,has disorder","178414","2020-10-21","18:00:00",""
"4023589","11.3885","0.0013","18.885","0.002","22.602","0.003","90","","90","","90","","4861","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H56 F12 N2 O12 P2 -","- C42 H56 F12 N2 O12 P2 -","- C168 H224 F48 N8 O48 P8 -","4","1","","Chunlin He; Zuming Shi; Qizhong Zhou; Shijun Li; Ning Li; Feihe Huang","Syntheses of cis- and trans-Dibenzo-30-Crown-10 Derivatives via Regioselective Routes and Their Complexations with Paraquat and Diquat","Journal of Organic Chemistry","2008","73","","5872","5880","10.1021/jo800890x","","","0.71073","MoKα","","0.1361","0.0715","","","0.1757","0.2","","","","","","0.878","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023597","6.8947","0.0008","10.767","0.001","15.24","0.003","90","","90","","90","","1131.4","0.3","93.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O4 S -","- C11 H15 N O4 S -","- C44 H60 N4 O16 S4 -","4","1","","Yusuke Takezawa; Kentaro Tanaka; Maiko Yori; Shohei Tashiro; Motoo Shiro; Mitsuhiko Shionoya","Soft Metal-Mediated Base Pairing with Novel Synthetic Nucleosides Possessing an O,S-Donor Ligand","Journal of Organic Chemistry","2008","73","","6092","6098","10.1021/jo800587d","","","0.7107","MoKα","","","0.0269","","","","0.066","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023598","7.7416","0.0016","19.858","0.004","22.881","0.006","90","","90","","90","","3517.6","1.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H37 Co2 N O8 Si -","- C35 H37 Co2 N O8 Si -","- C140 H148 Co8 N4 O32 Si4 -","4","1","","Mahesh K. Pallerla; Glenn P. A. Yap; Joseph M. Fox","Co-Complexes Derived from Alkene Insertion to Alkyne-Dicobaltpentacarbonyl Complexes: Insight into the Regioselectivity of Pauson-Khand Reactions of Cyclopropenes","Journal of Organic Chemistry","2008","73","","6137","6141","10.1021/jo800776z","","","0.71073","MoKα","","0.0794","0.0517","","","0.1027","0.1174","","","","","","1.076","","","","has coordinates","178414","2020-10-21","18:00:00",""
"4023604","13.305","0.0013","14.0637","0.001","19.9902","0.0018","90","","90","","90","","3740.5","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 O9 -","- C41 H48 O9 -","- C164 H192 O36 -","4","1","","Ravindranath Nasi; Brian O. Patrick; Lyann Sim; David R. Rose; B. Mario Pinto","Studies Directed toward the Stereochemical Structure Determination of the Naturally Occurring Glucosidase Inhibitor, Kotalanol: Synthesis and Inhibitory Activities against Human Maltase Glucoamylase of Seven-Carbon, Chain-Extended Homologues of Salacinol","Journal of Organic Chemistry","2008","73","","6172","6181","10.1021/jo800855n","","","0.71073","MoKα","","0.089","0.0425","","","0.0804","0.0963","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023606","5.1187","0.0004","8.2508","0.0007","28.156","0.002","90","","90","","90","","1189.14","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Steven R. Angle; Inchang Choi; Fook S. Tham","Stereoselective Synthesis of 3-Alkyl-2-aryltetrahydrofuran-4-ols: Total Synthesis of (\±)-Paulownin","Journal of Organic Chemistry","2008","73","","6268","6278","10.1021/jo800901r","","","0.71073","MoKα","","0.047","0.0371","","","0.0887","0.0921","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023615","8.9457","0.0001","15.7926","0.0001","16.122","0.0001","90","","90","","90","","2277.65","0.03","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","Paquette 1630","","","- C24 H22 N2 O4 S2 -","- C24 H22 N2 O4 S2 -","- C96 H88 N8 O16 S8 -","4","1","","Nicolas Proust; Judith C. Gallucci; Leo A. Paquette","Neighboring Group Participation by Sulfonamido Nitrogen","Journal of Organic Chemistry","2008","73","","6279","6282","10.1021/jo800952m","","x-ray","0.71073","MoKα","","0.0429","0.0309","","","0.072","0.0764","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023616","10.6248","0.0009","10.8863","0.001","17.4021","0.0015","90","","90","","90","","2012.8","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O P2 S -","- C20 H28 O P2 S -","- C80 H112 O4 P8 S4 -","4","1","","Isabelle Bonnaventure; André B. Charette","Probing the Importance of the Hemilabile Site of Bis(phosphine) Monoxide Ligands in the Copper-Catalyzed Addition of Diethylzinc to N-Phosphinoylimines: Discovery of New Effective Chiral Ligands","Journal of Organic Chemistry","2008","73","","6330","6340","10.1021/jo800969x","","","1.54178","CuKα","","0.0446","0.0443","","","0.1172","0.1177","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023621","7.3197","0.0005","9.0804","0.0006","28.5357","0.0018","90","","90","","90","","1896.6","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 B F4 N O3 -","- C19 H22 B F4 N O3 -","- C76 H88 B4 F16 N4 O12 -","4","1","","Steven M. Allin; Sean N. Gaskell; Mark R. J. Elsegood; William P. Martin","Asymmetric Synthesis of Tetracyclic Benzo[a]quinolizidine Targets","Journal of Organic Chemistry","2008","73","","6448","6451","10.1021/jo801019h","","","0.6904","synchrotron","","0.0549","0.0524","","","0.1483","0.1519","","","","","","1.113","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023632","8.7956","0.0005","11.4484","0.0007","16.397","0.0009","90","","90","","90","","1651.1","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O -","- C20 H24 N2 O -","- C80 H96 N8 O4 -","4","1","","Igor Busygin; Ville Nieminen; Antti Taskinen; Jari Sinkkonen; Esa Toukoniitty; Reijo Sillanpää; Dmitry Yu. Murzin; Reko Leino","A Combined NMR, DFT, and X-ray Investigation of Some Cinchona Alkaloid O-Ethers","Journal of Organic Chemistry","2008","73","","6559","6569","10.1021/jo8008462","","x-ray","0.71073","MoKα","","0.0646","0.0461","","","0.0917","0.0987","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023633","6.5562","0.0007","16.5242","0.0019","18.603","0.002","90","","90","","90","","2015.4","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C100 H104 N8 O4 -","4","1","","Igor Busygin; Ville Nieminen; Antti Taskinen; Jari Sinkkonen; Esa Toukoniitty; Reijo Sillanpää; Dmitry Yu. Murzin; Reko Leino","A Combined NMR, DFT, and X-ray Investigation of Some Cinchona Alkaloid O-Ethers","Journal of Organic Chemistry","2008","73","","6559","6569","10.1021/jo8008462","","x-ray","1.54184","CuKα","","0.1184","0.0704","","","0.1394","0.1678","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023644","8.329","0.0008","13.1065","0.0013","14.8142","0.0015","90","","90","","90","","1617.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Br Cl O2 -","- C18 H14 Br Cl O2 -","- C72 H56 Br4 Cl4 O8 -","4","1","","Xian Huang; Maozhong Miao","Substrate-Controlled Selective Proximal and Distal C-C Bond Cleavage via Lewis Acid Mediated O-Acylation of 2-(Arylmethylene)cyclopropylaldehyde: A Stereoselective Synthesis of Bifunctional Methylenecyclobutanes and 1,3-Conjugated Dienes","Journal of Organic Chemistry","2008","73","","6884","6887","10.1021/jo801021f","","","0.71073","MoKα","","0.0537","0.0353","","","0.0702","0.0734","","","","","","0.867","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023664","13.272","0.004","15.108","0.004","15.194","0.004","90","","90","","90","","3046.6","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 I N3 O2 S2 -","- C11 H12 I N3 O2 S2 -","- C88 H96 I8 N24 O16 S16 -","8","2","","Prosper Nshimyumukiz; Olivier Fasbender; Bernard Tinant; Jacqueline Marchand-Brynaert; Francis Darro; Raphaël Robiette","Divergent and Regioselective Synthesis of 1,2,4- and 1,2,5-Trisubstituted Imidazoles","Journal of Organic Chemistry","2008","73","","6816","6823","10.1021/jo801256b","","","0.71069","MoKα","","0.0269","0.0262","","","0.0733","0.0738","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023666","13.3622","0.0019","14.349","0.002","19.593","0.003","90","","90","","90","","3756.5","0.9","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C33 H38 Cl2 Co2 N O5 P S Si -","- C33 H38 Cl2 Co2 N O5 P S Si -","- C132 H152 Cl8 Co8 N4 O20 P4 S4 Si4 -","4","1","","Marc Revés; Thierry Achard; Jordi Solà; Antoni Riera; Xavier Verdaguer","N-Phosphino-p-tolylsulfinamide Ligands: Synthesis, Stability, and Application to the Intermolecular Pauson-Khand Reaction","Journal of Organic Chemistry","2008","73","","7080","7087","10.1021/jo800710n","","","0.71073","MoKα","","0.0417","0.036","","","0.0945","0.0971","","","","","","1.031","","","","has coordinates","178415","2020-10-21","18:00:00",""
"4023673","7.8294","0.0007","9.0047","0.0009","22.0941","0.0019","90","","90","","90","","1557.7","0.2","100","2","100","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C68 H76 N4 O24 -","4","1","","Dusan Hesek; Mijoon Lee; Takao Yamaguchi; Bruce C. Noll; Shahriar Mobashery","Facile Preparation of a Highly Functionalized Tetrahydropyran by Catalytic Hydrogenation of an Oxazoline","Journal of Organic Chemistry","2008","73","","7349","7352","10.1021/jo801037z","","x-ray","1.54178","CuKα","","0.0265","0.0263","","","0.0682","0.0685","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023677","11.166","0.003","11.863","0.003","25.159","0.006","90","","90","","90","","3332.6","1.5","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H46 N4 O2 -","- C40 H46 N4 O2 -","- C160 H184 N16 O8 -","4","1","","Przemysław J. Boratyński; Ilona Turowska-Tyrk; Jacek Skarźewski","Stereoselective C9 Carbon-Carbon Couplings of Quinine: Synthesis and Conformational Analysis of New C~2~-Symmetric Dimers","Journal of Organic Chemistry","2008","73","","7357","7360","10.1021/jo801205n","","","0.71073","MoKα","","0.0956","0.0815","","","0.1908","0.2002","","","","","","1.193","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023678","6.0842","0.001","15.1606","0.0014","15.7441","0.0018","90","","90","","90","","1452.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Sebastian Stecko; Adam Mames; Bartłomiej Furman; Marek Chmielewski","Diastereoselective Synthesis of Carbapenams via Kinugasa Reaction","Journal of Organic Chemistry","2008","73","","7402","7404","10.1021/jo801212q","","","1.54178","CuKα","","0.143","0.0556","","","0.1276","0.1479","","","","","","0.967","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023691","9.0823","0.0006","9.2605","0.0007","29.233","0.002","90","","90","","90","","2458.7","0.3","228","2","228","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N2 O7 -","- C23 H34 N2 O7 -","- C92 H136 N8 O28 -","4","1","","Wathsala Liyanage; Laksiri Weerasinghe; Roland K. Strong; Juan R. Del Valle","Synthesis of Carbapyochelins via Diastereoselective Azidation of 5-(Ethoxycarbonyl)methylproline Derivatives","Journal of Organic Chemistry","2008","73","","7420","7423","10.1021/jo801294p","","","0.71073","MoKα","","0.0496","0.0397","","","0.1024","0.1106","","","","","","1.038","","","","has coordinates,has disorder","178415","2020-10-21","18:00:00",""
"4023697","7.2356","0.0014","11.699","0.002","24.605","0.005","90","","90","","90","","2082.8","0.7","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","1","","Gerhard Brunner; Laura Eberhard; Jürg Oetiker; Fridtjof Schröder","Tandem Cyclopropanation with Dibromomethane under Grignard Conditions","Journal of Organic Chemistry","2008","73","","7543","7554","10.1021/jo8007397","","","0.71073","MoKα","","0.059","0.0342","","","0.072","0.0764","","","","","","0.809","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023706","6.0221","0.0002","11.0913","0.0004","35.6702","0.0007","90","","90","","90","","2382.52","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Pivaloate ester","(3aR,4aS,7R,8aS)-2,2-Dimethyl-5-[(4-methylphenyl) sulfonyl]-4,4a,5,6,7,8a-hexahydro-3aH-[1,3]dioxolo -[4,5-f]indol-7-yl pivalate.","","- C23 H31 N O6 S -","- C23 H31 N O6 S -","- C92 H124 N4 O24 S4 -","4","1","","An-Wei Hong; Tsung-Hui Cheng; Vellingiri Raghukumar; Chin-Kang Sha","An Expedient Route to Montanine-Type Amaryllidaceae Alkaloids: Total Syntheses of (-)-Brunsvigine and (-)-Manthine","Journal of Organic Chemistry","2008","73","","7580","7585","10.1021/jo801089y","","","0.71073","MoKα","","0.1935","0.0639","","","0.1224","0.1788","","","","","","0.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023709","10.6646","0.0005","13.0545","0.0005","15.2913","0.0006","90","","90","","90","","2128.87","0.15","571","2","571","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 N O7 -","- C18 H31 N O7 -","- C72 H124 N4 O28 -","4","1","","Celia Ribes; Eva Falomir; Miguel Carda; J. Alberto Marco","Short, Stereoselective Synthesis of the Naturally Occurring Pyrrolidine Radicamine B and a Formal Synthesis of Nectrisine","Journal of Organic Chemistry","2008","73","","7779","7782","10.1021/jo8012989","","x-ray","0.71073","MoKα","","0.0955","0.0464","","","0.1164","0.1376","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023725","8.791","0.0018","9.756","0.002","19.194","0.004","90","","90","","90","","1646.2","0.6","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 Cl3 N O5 P -","- C12 H15 Cl3 N O5 P -","- C48 H60 Cl12 N4 O20 P4 -","4","1","","Diederica D. Claeys; Kristof Moonen; Bart I. Roman; Victor N. Nemykin; Viktor V. Zhdankin; Michel Waroquier; Veronique Van Speybroeck; Christian V. Stevens","Synthesis of Tricyclic Phosphonopyrrolidines via IMDAF: Experimental and Theoretical Investigation of the Observed Stereoselectivity","Journal of Organic Chemistry","2008","73","","7921","7927","10.1021/jo801138s","","","0.71073","MoKα","","0.0639","0.0592","","0.1815","0.169","0.169","","","","","","0.9749","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023727","10.4065","0.0014","12.2255","0.0015","21.927","0.003","90","","90","","90","","2789.7","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Cl3 N O6 S -","- C25 H36 Cl3 N O6 S -","- C100 H144 Cl12 N4 O24 S4 -","4","1","","Hiroshi Nagase; Naoshi Yamamoto; Toru Nemoto; Kenji Yoza; Kenshu Kamiya; Shuichi Hirono; Shinobu Momen; Naoki Izumimoto; Ko Hasebe; Hidenori Mochizuki; Hideaki Fujii","Synthesis of a Stable Iminium Salt and Propellane Derivatives","Journal of Organic Chemistry","2008","73","","8093","8096","10.1021/jo801276z","","","0.71073","MoKα","","0.0648","0.047","","","0.1008","0.109","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023728","8.0495","0.001","12.1079","0.0015","14.6562","0.0019","90","","90","","90","","1428.4","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Hiroshi Nagase; Naoshi Yamamoto; Toru Nemoto; Kenji Yoza; Kenshu Kamiya; Shuichi Hirono; Shinobu Momen; Naoki Izumimoto; Ko Hasebe; Hidenori Mochizuki; Hideaki Fujii","Synthesis of a Stable Iminium Salt and Propellane Derivatives","Journal of Organic Chemistry","2008","73","","8093","8096","10.1021/jo801276z","","","0.71073","MoKα","","0.0481","0.0388","","","0.082","0.0866","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023731","9.5196","0.001","11.4005","0.0012","14.7887","0.0016","90","","90","","90","","1605","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 I O2 P -","- C16 H16 I O2 P -","- C64 H64 I4 O8 P4 -","4","1","","Hao Guo; Rong Qian; Yinlong Guo; Shengming Ma","Neighboring Group Participation of Phosphine Oxide Functionality in the Highly Regio- and Stereoselective Iodohydroxylation of 1,2-Allenylic Diphenyl Phosphine Oxides","Journal of Organic Chemistry","2008","73","","7934","7938","10.1021/jo8013462","","","0.71073","MoKα","","0.0464","0.0384","","","0.0753","0.0778","","","","","","0.935","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023753","4.7431","0.0002","7.492","0.0003","23.6413","0.0009","90","","90","","90","","840.1","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O -","- C9 H14 O -","- C36 H56 O4 -","4","1","","Roderick W. Bates; S. Sridhar","A Synthesis of (-)-Mintlactone","Journal of Organic Chemistry","2008","73","","8104","8105","10.1021/jo801433f","","","0.71073","MoKα","","0.0733","0.0524","","","0.1427","0.1719","","","","","","1.166","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023757","8.9876","0.0018","11.718","0.002","15.898","0.003","90","","90","","90","","1674.3","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl O4 -","- C19 H17 Cl O4 -","- C76 H68 Cl4 O16 -","4","1","","Lin He; Hui Lv; Yan-Rong Zhang; Song Ye","Formal Cycloaddition of Disubstituted Ketenes with 2-Oxoaldehydes Catalyzed by Chiral N-Heterocyclic Carbenes","Journal of Organic Chemistry","2008","73","","8101","8103","10.1021/jo801494f","","","0.71073","MoKα","","0.0751","0.032","","","0.0896","0.0985","","","","","","0.771","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023761","5.5997","0.0006","11.7922","0.0013","13.075","0.002","90","","90","","90","","863.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Abdul Hameed; Alexander J. Blake; Christopher J. Hayes","A Second Generation Formal Synthesis of (-)-Cephalotaxine","Journal of Organic Chemistry","2008","73","","8045","8048","10.1021/jo801540q","","","0.71073","MoKα","","0.0437","0.0379","","","0.0758","0.0776","","","","","","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023776","6.2729","0.0013","11.291","0.002","12.464","0.003","90","","90","","90","","882.8","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","","Shamim Ahmed; Luke A. Baker; Richard S. Grainger; Paolo Innocenti; Camilo E. Quevedo","Thermal Elimination of Diethyldithiocarbamates and Application in the Synthesis of (±)-Ferrugine","Journal of Organic Chemistry","2008","73","","8116","8119","10.1021/jo801652x","","","1.54178","CuKα","","0.0501","0.0356","","","0.0736","0.0793","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023803","8.3461","0.0007","18.8665","0.0017","23.936","0.002","90","","90","","90","","3769","0.6","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C200 H168 N8 O24 -","8","2","","Amit A. Kudale; Jamie Kendall; David O. Miller; Julie L. Collins; Graham J. Bodwell","Povarov Reactions Involving 3-Aminocoumarins: Synthesis of 1,2,3,4-Tetrahydropyrido[2,3-c]coumarins and Pyrido[2,3-c]coumarins","Journal of Organic Chemistry","2008","73","","8437","8447","10.1021/jo801411p","","","0.7107","MoKα","","0.0596","0.0588","","","0.1344","0.1349","","","","","","1.268","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023809","5.859","0.0004","14.2547","0.0009","33.866","0.002","90","","90","","90","","2828.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O2 -","- C14 H24 N2 O2 -","- C112 H192 N16 O16 -","8","2","","Vincenzo Giulio Albano; Andrea Gualandi; Magda Monari; Diego Savoia","Asymmetric Synthesis of 8-Aminoindolizidine from Chiral 2-Pyrroleimines","Journal of Organic Chemistry","2008","73","","8376","8381","10.1021/jo8014598","","","0.71073","MoKα","","0.0493","0.0401","","","0.1033","0.1098","","","","","","1.099","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023810","5.9075","0.0005","16.5865","0.0015","16.6873","0.0015","90","","90","","90","","1635.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N2 O2 -","- C17 H28 N2 O2 -","- C68 H112 N8 O8 -","4","1","","Vincenzo Giulio Albano; Andrea Gualandi; Magda Monari; Diego Savoia","Asymmetric Synthesis of 8-Aminoindolizidine from Chiral 2-Pyrroleimines","Journal of Organic Chemistry","2008","73","","8376","8381","10.1021/jo8014598","","","0.71073","MoKα","","0.0549","0.0334","","","0.0633","0.0681","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023817","8.9372","0.0001","11.1284","0.0002","21.1731","0.0003","90","","90","","90","","2105.81","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17.88 Br2.12 N2 O4 -","- C20 H17.88 Br2.12 N2 O4 -","- C80 H71.52 Br8.48 N8 O16 -","4","1","","Xiaojun Han; Rita L. Civiello; Haiquang Fang; Dedong Wu; Qi Gao; Prasad V. Chaturvedula; John E. Macor; Gene M. Dubowchik","Catalytic Asymmetric Syntheses of Tyrosine Surrogates","Journal of Organic Chemistry","2008","73","","8502","8510","10.1021/jo801577t","","","1.54178","CuKα","","0.0383","0.0367","","","0.097","0.0978","","","","","","1.099","","","","has coordinates,has disorder","178417","2020-10-21","18:00:00",""
"4023825","9.9977","0.0007","13.4422","0.0009","23.961","0.0014","90","","90","","90","","3220.1","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 N O8 S2 -","- C32 H43 N O8 S2 -","- C128 H172 N4 O32 S8 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gema González; Cristina Fajardo","Pyrrolo[2,1-b]thiazole Derivatives by Asymmetric 1,3-Dipolar Reactions of Thiazolium Azomethine Ylides to Activated Vinyl Sulfoxides","Journal of Organic Chemistry","2008","73","","8484","8490","10.1021/jo801705d","","","1.54178","CuKα","","0.0563","0.0427","","","0.0988","0.1054","","","","","","1.05","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023834","16.2161","0.001","16.39","0.0005","17.0351","0.001","90","","90","","90","","4527.6","0.4","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O2 S -","- C26 H26 N2 O2 S -","- C208 H208 N16 O16 S8 -","8","2","","Mark E. Scott; Mark Lautens","Synthesis of Highly Functionalized Pyrrolidines via a Selective Iodide-Mediated Ring Expansion of Methylenecyclopropyl Amides","Journal of Organic Chemistry","2008","73","","8154","8162","10.1021/jo802049u","","","0.71073","MoKα","","0.1673","0.0642","","","0.1082","0.1397","","","","","","0.967","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023835","9.131","0.0003","10.019","0.0002","28.277","0.0007","90","","90","","90","","2586.88","0.12","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 N2 O2 S -","- C31 H28 N2 O2 S -","- C124 H112 N8 O8 S4 -","4","1","","Mark E. Scott; Mark Lautens","Synthesis of Highly Functionalized Pyrrolidines via a Selective Iodide-Mediated Ring Expansion of Methylenecyclopropyl Amides","Journal of Organic Chemistry","2008","73","","8154","8162","10.1021/jo802049u","","","0.71073","MoKα","","0.0542","0.0396","","","0.0885","0.0961","","","","","","1.021","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023836","10.848","0.0003","11.075","0.0002","44.85","0.0015","90","","90","","90","","5388.4","0.3","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O3 S -","- C32 H30 N2 O3 S -","- C256 H240 N16 O24 S8 -","8","2","","Mark E. Scott; Mark Lautens","Synthesis of Highly Functionalized Pyrrolidines via a Selective Iodide-Mediated Ring Expansion of Methylenecyclopropyl Amides","Journal of Organic Chemistry","2008","73","","8154","8162","10.1021/jo802049u","","","0.71073","MoKα","","0.0604","0.0441","","","0.0983","0.108","","","","","","1.014","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023839","4.7947","0.0003","10.1459","0.0008","44.872","0.003","90","","90","","90","","2182.9","0.3","90","0.2","90","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O6 -","- C22 H38 O6 -","- C88 H152 O24 -","4","1","","Joseph J. Bozell; Nathan C. Tice; Nibedita Sanyal; David Thompson; Jong-Mok Kim; Sébastien Vidal","Synthesis and Self-Assembly of Glycal-Based Bolaforms","Journal of Organic Chemistry","2008","73","","8763","8771","10.1021/jo801341g","","","1.54178","CuKα","","0.0873","0.0755","","","0.1695","0.1754","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023844","6.0231","0.0008","18.026","0.003","18.643","0.003","90","","90","","90","","2024.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Cl O2 -","- C10 H13 Cl O2 -","- C80 H104 Cl8 O16 -","8","2","","Xin Cheng; Xuefeng Jiang; Yihua Yu; Shengming Ma","Efficient Synthesis of 3-Chloromethyl-2(5H)-furanones and 3-Chloromethyl- 5,6-dihydropyran-2-ones via the PdCl~2~-Catalyzed Chlorocyclocarbonylation of 2,3- or 3,4-Allenols","Journal of Organic Chemistry","2008","73","","8960","8965","10.1021/jo8015677","","","0.71073","MoKα","","0.0747","0.05","","","0.1102","0.1164","","","","","","0.865","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023855","9.9573","0.0002","11.4293","0.0002","13.4628","0.0003","90","","90","","90","","1532.13","0.05","120","2","120","2","","","","","","","Jose Giner Planas","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 B10 Cl -","- C10 H19 B10 Cl -","- C40 H76 B40 Cl4 -","4","1","","Vincent Terrasson; José G. Planas; Damien Prim; Clara Viñas; Francesc Teixidor; Mark E. Light; Michael B. Hursthouse","Cooperative Effect of Carborane and Pyridine in the Reaction of Carboranyl Alcohols with Thionyl Chloride: Halogenation versus Oxidation","Journal of Organic Chemistry","2008","73","","9140","9143","10.1021/jo801672f","","","0.71073","MoKα","","0.0514","0.0423","","","0.1043","0.1089","","","","","","1.049","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023865","7.1004","0.0001","17.4319","0.0002","19.7015","0.0002","90","","90","","90","","2438.52","0.05","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-(3-fluoro-4-methoxyphenyl)-9-isopropyl-2,8-bis(4-methoxyphenyl)-9H-purine","","- C29 H27 F N4 O3 -","- C29 H27 F N4 O3 -","- C116 H108 F4 N16 O12 -","4","1","","Igor Čerňa; Radek Pohl; Blanka Klepetářová; Michal Hocek","Synthesis of 6,8,9-Tri- and 2,6,8,9-Tetrasubstituted Purines by a Combination of the Suzuki Cross-coupling, N-Arylation, and Direct C-H Arylation Reactions","Journal of Organic Chemistry","2008","73","","9048","9054","10.1021/jo8018126","","x-ray","1.54184","CuKα","","0.0414","0.0317","","0.043","0.036","0.036","","","","","","1.0768","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023868","21.1651","0.0015","21.4566","0.0018","12.9527","0.0011","90","","90","","90","","5882.2","0.8","173.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H76 Cl2 N2 O2 P2 Ru -","- C66 H76 Cl2 N2 O2 P2 Ru -","- C264 H304 Cl8 N8 O8 P8 Ru4 -","4","1","","Hirohito Ooka; Noriyoshi Arai; Keita Azuma; Nobuhito Kurono; Takeshi Ohkuma","Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by the TolBINAP/DMAPEN-Ruthenium(II) Complex: A Significant Effect of N-Substituents of Chiral 1,2-Diamine Ligands on Enantioselectivity","Journal of Organic Chemistry","2008","73","","9084","9093","10.1021/jo801863q","","","0.71075","MoKα","","","0.0611","","","","0.1723","","","","","","1.272","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4023876","7.789","0.002","17.671","0.005","17.796","0.005","90","","90","","90","","2449.2","1.2","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N S -","- C14 H17 N S -","- C112 H136 N8 S8 -","8","2","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.1163","0.0657","","","0.1362","0.16","","","","","","0.992","","","","has coordinates","178417","2020-10-21","18:00:00",""
"4023881","5.6481","0.0011","13.449","0.003","14.691","0.003","90","","90","","90","","1116","0.4","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O S -","- C12 H15 N O S -","- C48 H60 N4 O4 S4 -","4","1","","Tetsuharu Hori; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Nonplanar Structures of Thioamides Derived from 7-Azabicyclo[2.2.1]heptane. Electronically Tunable Planarity of Thioamides","Journal of Organic Chemistry","2008","73","","9102","9108","10.1021/jo801996b","","","0.71073","MoKα","","0.0343","0.0315","","","0.0778","0.079","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023902","8.9746","0.0017","21.82","0.004","24.89","0.005","90","","90","","90","","4874.3","1.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 N O4 -","- C27 H37 N O4 -","- C216 H296 N8 O32 -","8","2","","Douglass F. Taber; James F. Berry; Timothy J. Martin","Convenient Synthetic Route to an Enantiomerically Pure FMOC α-Amino Acid","Journal of Organic Chemistry","2008","73","","9334","9339","10.1021/jo801781v","","","0.71073","MoKα","","0.0628","0.047","","","0.1003","0.1051","","","","","","1.045","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023926","6.764","0.0003","10.3317","0.0003","28.5745","0.0012","90","","90","","90","","1996.89","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Bin Wang; O. Andrea Wong; Mei-Xin Zhao; Yian Shi","Asymmetric Epoxidation of 1,1-Disubstituted Terminal Olefins by Chiral Dioxirane via a Planar-like Transition State","Journal of Organic Chemistry","2008","73","","9539","9543","10.1021/jo801576k","","","0.71073","MoKα","","0.1245","0.0678","","","0.1194","0.1442","","","","","","0.967","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023932","14.567","0.002","15.564","0.003","31.013","0.005","90","","90","","90","","7031","2","273","2","313","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Taxoid SB-T-2054","","","- C51 H55 N O15 -","- C50.9 H55 N O14.9 -","- C203.6 H220 N4 O59.6 -","4","1","","Liang Sun; Xudong Geng; Raphal Geney; Yuan Li; Carlos Simmerling; Zhong Li; Joseph W. Lauher; Shujun Xia; Susan B. Horwitz; Jean M. Veith; Paula Pera; Ralph J. Bernacki; Iwao Ojima","Design, Synthesis, and Biological Evaluation of Novel C14‒C3' BzN-Linked Macrocyclic Taxoids","Journal of Organic Chemistry","2008","73","","9584","9593","10.1021/jo801713q","","","0.71073","MoKα","","0.334","0.1305","","","0.3096","0.3884","","","","","","1.086","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023933","7.0937","0.0003","13.3879","0.0006","33.7824","0.0016","90","","90","","90","","3208.3","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 N O5 S2 -","- C35 H39 N O5 S2 -","- C140 H156 N4 O20 S8 -","4","1","","Sandra Fanjul; Alison N. Hulme","Anti and Syn Glycolate Aldol Reactions with a Readily Displaced Thiol Auxiliary","Journal of Organic Chemistry","2008","73","","9788","9791","10.1021/jo801720v","","","0.71073","MoKα","","0.0565","0.0434","","0.0999","0.094","0.0999","","","","","","1.0405","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023934","9.116","0.0014","9.35","0.001","31.497","0.005","90","","90","","90","","2684.6","0.7","162","2","162","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Br N3 O4 -","- C27 H34 Br N3 O4 -","- C108 H136 Br4 N12 O16 -","4","1","","Dieter Enders; Dominik Förster; Gerhard Raabe; Jan W. Bats","Asymmetric Synthesis of β-Nitro Ketones via Michael Addition of Lithiated α-Amino Nitriles to Nitroalkenes","Journal of Organic Chemistry","2008","73","","9641","9646","10.1021/jo8017318","","","0.71073","MoKα","","0.0914","0.0436","","","0.0735","0.0853","","","","","","1.003","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023935","7.93","0.0003","9.812","0.004","17.277","0.009","90","","90","","90","","1344.3","0.9","150","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C56 H68 N4 O20 -","4","1","","Dieter Enders; Dominik Förster; Gerhard Raabe; Jan W. Bats","Asymmetric Synthesis of β-Nitro Ketones via Michael Addition of Lithiated α-Amino Nitriles to Nitroalkenes","Journal of Organic Chemistry","2008","73","","9641","9646","10.1021/jo8017318","","","1.54179","CuKα","","0.082","0.057","","0.065","","0.063","","","1.544","","","1.653","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4023939","6.9258","0.0008","8.8531","0.0011","17.129","0.002","90","","90","","90","","1050.3","0.2","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N -","- C14 H15 N -","- C56 H60 N4 -","4","1","","Amos B. Smith, III; László Kürti; Akin H. Davulcu; Young Shin Cho; Kazuyuki Ohmoto","Indole Diterpene Synthetic Studies: Development of a Second-Generation Synthetic Strategy for (+)-Nodulisporic Acids A and B","Journal of Organic Chemistry","2007","72","","4611","4620","10.1021/jo062423a","","","0.71069","MoKα","","0.0771","0.0593","","","0.1492","0.1699","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023944","6.8902","0.0005","15.6556","0.0012","40.494","0.003","90","","90","","90","","4368.2","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H54 N2 O13 -","- C47 H54 N2 O13 -","- C188 H216 N8 O52 -","4","1","","Martin Juhl; Rune Monrad; Inger Søtofte; David Tanner","Toward the Synthesis of Norzoanthamine: Complete Fragment Assembly","Journal of Organic Chemistry","2007","72","","4644","4654","10.1021/jo070165r","","","1.54178","CuKα","","0.104","0.0758","","","0.18","0.2139","","","","","","1.203","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023945","8.7254","0.0004","8.8412","0.0004","14.6943","0.0007","90","","90","","90","","1133.56","0.09","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Martin Juhl; Rune Monrad; Inger Søtofte; David Tanner","Toward the Synthesis of Norzoanthamine: Complete Fragment Assembly","Journal of Organic Chemistry","2007","72","","4644","4654","10.1021/jo070165r","","","0.71073","MoKα","","0.0471","0.0455","","","0.1238","0.1256","","","","","","1.168","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023952","7.9953","0.0002","11.2264","0.0003","31.0421","0.0011","90","","90","","90","","2786.29","0.14","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","1-Benzoyl-2(S)-phenyl-2,3-dihydro-4(H)-pyrimidin-4-one","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","","Blanca R. Díaz-Sánchez; Martín A. Iglesias-Arteaga; Roberto Melgar-Fernández; Eusebio Juaristi","Synthesis of 2-Substituted-5-halo-2,3-dihydro-4(H)-pyrimidin-4-ones and Their Derivatization Utilizing the Sonogashira Coupling Reaction in the Enantioselective Synthesis of α-Substituted β-Amino Acids","Journal of Organic Chemistry","2007","72","","4822","4825","10.1021/jo0705115","","","0.71073","MoKα","","0.1295","0.0444","","","0.0661","0.0847","","","","","","0.983","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023964","11.2709","0.0003","15.7446","0.0005","25.9223","0.0007","90","","90","","90","","4600.1","0.2","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H52 N4 O4 Zn -","- C54 H52 N4 O4 Zn -","- C216 H208 N16 O16 Zn4 -","4","1","","Adeeb Al-Sheikh Ali; Ronald E. Benson; Sascha Blumentritt; T. Stanley Cameron; Anthony Linden; David Wolstenholme; Alison Thompson","Asymmetric Synthesis of Mono- and Dinuclear Bis(dipyrrinato) Complexes","Journal of Organic Chemistry","2007","72","","4947","4952","10.1021/jo070569j","","","0.71073","MoKα","","0.0664","0.046","","","0.0952","0.1036","","","","","","1.076","","","","has coordinates","178418","2020-10-21","18:00:00",""
"4023971","7.1427","0.0007","13.7344","0.0013","13.9747","0.0014","90","","90","","90","","1370.9","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Dhevalapally B. Ramachary; Mamillapalli Kishor","Organocatalytic Sequential One-Pot Double Cascade Asymmetric Synthesis of Wieland-Miescher Ketone Analogues from a Knoevenagel/Hydrogenation/Robinson Annulation Sequence: Scope and Applications of Organocatalytic Biomimetic Reductions","Journal of Organic Chemistry","2007","72","","5056","5068","10.1021/jo070277i","","","0.71073","MoKα","","0.0404","0.0343","","","0.0832","0.0873","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023977","7.9728","0.0004","9.5086","0.0005","29.1573","0.0016","90","","90","","90","","2210.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Phenyl 3-azido-3-deoxy-4,6-O-[1-cyano-2-(2-iodophenyl)]ethylidene-/a/- D-thiomannopyranoside","","- C21 H19 I N4 O4 S -","- C21 H19 I N4 O4 S -","- C84 H76 I4 N16 O16 S4 -","4","1","","David Crich; Huadong Xu","Direct Stereocontrolled Synthesis of 3-Amino-3-deoxy-β-Mannopyranosides: Importance of the Nitrogen Protecting Group on Stereoselectivity","Journal of Organic Chemistry","2007","72","","5183","5192","10.1021/jo070473p","","","0.71073","MoKα","","0.0637","0.0501","","","0.1107","0.1226","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023978","9.562","0.007","9.57","0.004","17.69","0.009","90","","90","","90","","1618.8","1.6","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.2221","0.0627","","","0.0901","0.1235","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023979","5.243","0.003","8.952","0.004","32.676","0.013","90","","90","","90","","1533.8","1.3","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.0957","0.0559","","","0.1725","0.2019","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023980","6.0352","0.0005","9.1035","0.0007","33.275","0.003","90","","90","","90","","1828.2","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","","0.71073","MoKα","","0.0516","0.0408","","","0.0992","0.1065","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023982","7.1963","0.0012","14.2686","0.0013","16.3513","0.001","90","","90","","90","","1679","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.1002","0.0451","","","0.1257","0.1492","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023983","8.875","0.001","9.841","0.001","23.762","0.002","90","","90","","90","","2075.3","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O6 -","- C21 H29 N O6 -","- C84 H116 N4 O24 -","4","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.1836","0.056","","","0.1419","0.1889","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4023986","7.6664","0.0012","13.2571","0.0019","18.826","0.004","90","","90","","90","","1913.3","0.6","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Mercedes Amat; María M. M. Santos; Oriol Bassas; Núria Llor; Carmen Escolano; Arantxa Gómez-Esqué; Elies Molins; Steven M. Allin; Vickie McKee; Joan Bosch","Straightforward Methodology for the Enantioselective Synthesis of Benzo[a]- and Indolo[2,3-a]quinolizidines","Journal of Organic Chemistry","2007","72","","5193","5201","10.1021/jo070539g","","x-ray","0.71073","MoKα","","0.0548","0.0435","","","0.1173","0.1242","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024000","9.901","0.002","12.982","0.006","15.803","0.007","90","","90","","90","","2031.2","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 B2 Cl2 N2 -","- C21 H20 B2 Cl2 N2 -","- C84 H80 B8 Cl8 N8 -","4","1","","Cory A. Jaska; Warren E. Piers; Robert McDonald; Masood Parvez","Synthesis, Characterization, and Fluorescence Behavior of Twisted and Planar B~2~N~2~-Quaterphenyl Analogues","Journal of Organic Chemistry","2007","72","","5234","5243","10.1021/jo0706574","","","0.71073","MoKα","","0.0753","0.0457","","","0.0944","0.1082","","","","","","1.032","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024008","8.7348","0.0003","9.4474","0.0003","18.1528","0.0005","90","","90","","90","","1497.99","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 O4 S -","- C14 H24 O4 S -","- C56 H96 O16 S4 -","4","1","","Paweł Chochrek; Jerzy Wicha","Expedited Approach to the Vitamin D trans-Hydrindane Building Block from the Hajos Dione. Comparative Study on Various Methods for the Selective Deoxygenation of One of the Hydroxy Groups in a Diol","Journal of Organic Chemistry","2007","72","","5276","5284","10.1021/jo070685m","","","0.71073","MoKα","","0.0249","0.0231","","","0.0624","0.0629","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024020","13.041","0.003","14.234","0.003","18.825","0.004","90","","90","","90","","3494.3","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","acyclic amino diselenide","","","- C26 H40 N2 O4 S2 Se2 -","- C26 H40 N2 O4 S2 Se2 -","- C104 H160 N8 O16 S8 Se8 -","4","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran","Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies","Journal of Organic Chemistry","2007","72","","5313","5319","10.1021/jo070705k","","","0.71073","MoKα","","0.0949","0.0585","","","0.1209","0.1328","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024021","10.6937","0.0008","14.3941","0.0011","23.1336","0.0018","90","","90","","90","","3560.9","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyclic amino diselenide","","","- C34 H38 N2 O6 S2 Se2 -","- C34 H38 N2 O6 S2 Se2 -","- C136 H152 N8 O24 S8 Se8 -","4","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Srinivasan Chandrasekaran","Conformationally Locked Bridged Bicyclic Diselenides: Synthesis, Structure, Se···O Interaction, and Theoretical Studies","Journal of Organic Chemistry","2007","72","","5313","5319","10.1021/jo070705k","","","0.71073","MoKα","","0.0586","0.0391","","","0.0778","0.083","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024023","7.6149","0.0006","8.552","0.0016","16.5755","0.0019","90","","90","","90","","1079.4","0.3","250","","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Arnaud Voituriez; Franck Ferreira; Fabrice Chemla","Short and Efficient Asymmetric Synthesis of (-)-α-Conhydrine","Journal of Organic Chemistry","2007","72","","5358","5361","10.1021/jo070760t","","","0.71073","MoKα","","0.0664","0.0384","","0.0664","0.0452","0.0452","","","","","","1.0739","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024042","11.111","","13.059","","15.198","","90","","90","","90","","2205.1","","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O8 S -","- C20 H28 O8 S -","- C80 H112 O32 S4 -","4","1","","Indrajit Das; Tarun K. Pal; Cheravakkattu G. Suresh; Tanmaya Pathak","Diastereoselective C-C Bond Formation at C-5 of Vinyl Sulfone-Modified Hex-5-enofuranosyl Carbohydrates: Diversity-Oriented Synthesis of Branched-Chain Sugars and Beyond","Journal of Organic Chemistry","2007","72","","5523","5533","10.1021/jo062373+","","","0.71073","MoKα","","0.0923","0.0473","","","0.145","0.1842","","","","","","0.756","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024053","9.0091","0.0015","15.194","0.004","16.428","0.002","90","","90","","90","","2248.7","0.8","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 Cl N4 -","- C9 H17 Cl N4 -","- C72 H136 Cl8 N32 -","8","2","","Deniz Akalay; Gerd Dürner; Jan W. Bats; Michael Bolte; Michael W. Göbel","Synthesis of C~2~-Symmetric Bisamidines: A New Type of Chiral Metal-Free Lewis Acid Analogue Interacting with Carbonyl Groups","Journal of Organic Chemistry","2007","72","","5618","5624","10.1021/jo070534j","","","0.71073","MoKα","","0.0947","0.0461","","","0.0798","0.0937","","","","","","1.019","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024070","7.4451","0.0001","14.8116","0.0003","16.3139","0.0004","90","","90","","90","","1799","0.06","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","1","","Susan A. Garner; Michael J. Krische","Rhodium-Catalyzed Reductive Mannich Coupling of Vinyl Ketones to N-Sulfonylimines Mediated by Hydrogen","Journal of Organic Chemistry","2007","72","","5843","5846","10.1021/jo070779w","","","0.71073","MoKα","","0.0334","0.0287","","","0.0695","0.0729","","","","","","0.981","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024072","9.567","0.002","10.794","0.002","23.003","0.006","90","0","90","0","90","0","2375.3","0.9","298","2","298","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O3 -","- C25 H35 N O3 -","- C100 H140 N4 O12 -","4","1","","Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola","Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis","Journal of Organic Chemistry","2007","72","","5759","5770","10.1021/jo070786k","","x-ray","0.71073","MoKα","","0.1008","0.0614","","","0.1667","0.2012","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024075","13.4677","0.0017","14.3805","0.0015","17.864","0.002","90","","90","","90","","3459.7","0.7","100","2","95","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O3 -","- C18 H24 N2 O3 -","- C144 H192 N16 O24 -","8","2","","Harry W. Gibson; Michael A. G. Berg; Jennifer Clifton Dickson; Pierre R. Lecavalier; Hong Wang; Joseph S. Merola","Diastereomeric Reissert Compounds of Isoquinoline and 6,7-Dimethoxy-3,4-dihydroisoquinoline in Stereoselective Synthesis","Journal of Organic Chemistry","2007","72","","5759","5770","10.1021/jo070786k","","x-ray","0.71073","MoKα","","0.0417","0.0329","","","0.0756","0.0801","","","","","","0.997","","","","has coordinates","178419","2020-10-21","18:00:00",""
"4024098","6.5412","0.0006","9.2157","0.0008","20.015","0.002","90","","90","","90","","1206.54","0.19","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(1,1-dimethylethoxycarbonyl)-(pyrrolidin-2-yl)boronic acid","","- C9 H18 B N O4 -","- C9 H18 B N O4 -","- C36 H72 B4 N4 O16 -","4","1","","Andrei S. Batsanov; Christophe Grosjean; Thorben Schütz; Andrew Whiting","A (-)-Sparteine-Directed Highly Enantioselective Synthesis of Boroproline. Solid- and Solution-State Structure and Properties","Journal of Organic Chemistry","2007","72","","6276","6279","10.1021/jo0708792","","","0.71073","MoKα","","0.0326","0.0295","","","0.0735","0.075","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024102","8.521","0.002","9.176","0.001","17.747","0.003","90","","90","","90","","1387.6","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Nathalie Lebrasseur; Julien Gagnepain; Aurélie Ozanne-Beaudenon; Jean-Michel Léger; Stéphane Quideau","Efficient Access to Orthoquinols and Their [4 + 2] Cyclodimers via SIBX-Mediated Hydroxylative Phenol Dearomatization","Journal of Organic Chemistry","2007","72","","6280","6283","10.1021/jo0708893","","","1.5418","CuKα","","0.0412","0.0408","","","0.1088","0.1093","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024107","11.23","0.002","13.374","0.003","25.007","0.005","90","","90","","90","","3755.8","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15.5 H26.5 N5 O6.25 -","- C15.5 H26.5 N5 O6.25 -","- C124 H212 N40 O50 -","8","2","","Olivier Loiseleur; Dougal Ritson; Mafalda Nina; Patrick Crowley; Trixie Wagner; Stephen Hanessian","Ring-Modified Analogues and Molecular Dynamics Studies To Probe the Requirements for Fungicidal Activities of Malayamycin A and Its N-Nucleoside Variants","Journal of Organic Chemistry","2007","72","","6353","6363","10.1021/jo070520d","","","1.54178","CuKα","","0.051","0.0439","","","0.0943","0.098","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024125","8.1386","0.0003","10.7325","0.0004","15.5997","0.0006","90","","90","","90","","1362.6","0.09","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","12a","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Alan R. Katritzky; Niveen M. Khashab; Danniebelle N. Haase; Megumi Yoshioka; Ion Ghiviriga; Peter J. Steel","C-Aminoimidoylation and C-Thiocarbamoylation of Esters, Sulfones, and Ketones","Journal of Organic Chemistry","2007","72","","6742","6748","10.1021/jo070545c","","","0.71073","MoKα","","0.0248","0.0244","","","0.0665","0.0669","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024136","5.6723","0.0001","10.6767","0.0001","19.435","0.0001","90","","90","","90","","1177.01","0.02","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O3 -","- C12 H18 N2 O3 -","- C48 H72 N8 O12 -","4","1","","Nicolas Joubert; Radek Pohl; Blanka Klepetářová; Michal Hocek","Modular and Practical Synthesis of 6-Substituted Pyridin-3-yl C-Nucleosides","Journal of Organic Chemistry","2007","72","","6797","6805","10.1021/jo0709504","","","1.54184","CuKα","","0.0401","0.034","","0.044","0.0374","0.0374","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024139","21.341","0.002","9.6458","0.0007","13.273","0.001","90","","90","","90","","2732.2","0.4","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Hideko Koshima; Michitaro Fukano; Hidehiro Uekusa","Diastereospecific Photocyclization of a Isopropylbenzophenone Derivative in Crystals and the Morphological Changes","Journal of Organic Chemistry","2007","72","","6786","6791","10.1021/jo071005i","","","1.5418","CuK'a","","","0.092","","","","0.2123","","","","","","1.201","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024143","10.4389","0.0018","16.491","0.003","22.816","0.004","90","","90","","90","","3927.8","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 Cl4 O4 P2 Pd Ru -","- C39 H34 Cl4 O4 P2 Pd Ru -","- C156 H136 Cl16 O16 P8 Pd4 Ru4 -","4","1","","Delong Liu; Fang Xie; Wanbin Zhang","Novel C~2~-Symmetric Planar Chiral Diphosphine Ligands and Their Application in Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2007","72","","6992","6997","10.1021/jo0711440","","","0.71073","MoKα","","0.0459","0.0385","","","0.0732","0.0757","","","","","","0.935","","","","has coordinates","178420","2020-10-21","18:00:00",""
"4024153","8.5337","0.0008","12.4631","0.0011","15.9278","0.0014","90","","90","","90","","1694","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Xiaomei Wei; Ileana I. Rodríguez; Abimael D. Rodríguez; Charles L. Barnes","Caribenols A and B, Sea Whip Derived Norditerpenes with Novel Tricarbocyclic Skeletons","Journal of Organic Chemistry","2007","72","","7386","7389","10.1021/jo070649n","","","0.71073","MoKα","","0.0416","0.0337","","","0.0747","0.0779","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024155","5.6097","0.0005","18.1997","0.0013","21.936","0.002","90","","90","","90","","2239.5","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C104 H124 N4 O24 -","4","1","","Subhankar Tripathi; Biswajit G. Roy; Michael G. B. Drew; Basudeb Achari; Sukhendu B. Mandal","Synthesis of Oxepane Ring Containing Monocyclic, Conformationally Restricted Bicyclic and Spirocyclic Nucleosides from D-Glucose: A Cycloaddition Approach","Journal of Organic Chemistry","2007","72","","7427","7430","10.1021/jo070846m","","","0.71073","MoKα","","0.0852","0.0616","","","0.1158","0.1216","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024165","6.6245","0.0006","6.8299","0.0007","17.4479","0.0018","90","","90","","90","","789.42","0.14","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H9 O4 -","- C8 H9 O4 -","- C32 H36 O16 -","4","1","","Taedong Ok; Aram Jeon; Joohee Lee; Jung Hak Lim; Chang Seop Hong; Hee-Seung Lee","Enantiomerically Pure Synthesis of β-Substituted γ-Butyrolactones: A Key Intermediate to Concise Synthesis of Pregabalin","Journal of Organic Chemistry","2007","72","","7390","7393","10.1021/jo0709605","","","0.71073","MoKα","","0.0424","0.04","","","0.1125","0.1153","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024166","6.934","0.0002","9.632","0.0003","17.3308","0.0005","90","","90","","90","","1157.49","0.06","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N O4 -","- C13 H10 N O4 -","- C52 H40 N4 O16 -","4","1","","Taedong Ok; Aram Jeon; Joohee Lee; Jung Hak Lim; Chang Seop Hong; Hee-Seung Lee","Enantiomerically Pure Synthesis of β-Substituted γ-Butyrolactones: A Key Intermediate to Concise Synthesis of Pregabalin","Journal of Organic Chemistry","2007","72","","7390","7393","10.1021/jo0709605","","","0.71073","MoKα","","0.0557","0.0508","","","0.1298","0.1351","","","","","","1.092","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024216","4.0595","0.0002","6.8131","0.0003","39.3862","0.0018","90","","90","","90","","1089.33","0.09","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 I N4 -","- C11 H7 I N4 -","- C44 H28 I4 N16 -","4","1","","Ghenia Bentabed-Ababsa; Fernando Blanco; Aïcha Derdour; Florence Mongin; François Trécourt; Guy Quéguiner; Rafael Ballesteros; Belén Abarca","Deprotonative Magnesation and Cadmation of [1,2,3]Triazolo[1,5-a]pyridines","Journal of Organic Chemistry","2009","74","","163","169","10.1021/jo801675h","","x-ray","0.71073","MoKα","","0.0323","0.0315","","","0.0793","0.0798","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024225","6.4087","0.0008","17.125","0.002","19.009","0.003","90","","90","","90","","2086.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 O8 P -","- C21 H23 O8 P -","- C84 H92 O32 P4 -","4","1","","Silvano Cruz-Gregorio; Vicente Rodríguez-Palacios; Herbert Höfl; Leticia Quintero; Fernando Sartillo-Piscil","Six-Membered Ring Phosphates and Phosphonates As Model Compounds for Cyclic Phosphate Prodrugs: Is the Anomeric Effect Involved in the Selective and Spontaneous Cleavage of Cyclic Phosphate Prodrugs?","Journal of Organic Chemistry","2009","74","","197","205","10.1021/jo8017473","","","0.71073","MoKα","","0.0908","0.065","","","0.108","0.1162","","","","","","1.075","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024228","7.9117","0.0005","14.4385","0.0009","16.3254","0.0011","90","","90","","90","","1864.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl F3 N O3 S -","- C19 H15 Cl F3 N O3 S -","- C76 H60 Cl4 F12 N4 O12 S4 -","4","1","","M. Belén Cid; Jesús López-Cantarero; Sara Duce; José Luis García Ruano","Enantioselective Organocatalytic Approach to the Synthesis of α,α-Disubstituted Cyanosulfones","Journal of Organic Chemistry","2009","74","","431","434","10.1021/jo801968p","","","0.71073","MoKα","","0.0319","0.0297","","","0.0757","0.0769","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024237","13.2112","0.0019","17.063","0.003","18.018","0.003","90","","90","","90","","4061.8","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H48 O8 S2 -","- C46 H48 O8 S2 -","- C184 H192 O32 S8 -","4","1","","Hui Huang; Timothy Stewart; Matthias Gutmann; Takashi Ohhara; Nobuo Niimura; Yu-Xue Li; Jian-Feng Wen; Robert Bau; Henry N. C. Wong","To Flip or Not To Flip? Assessing the Inversion Barrier of the Tetraphenylene Framework with Enantiopure 2,15-Dideuteriotetraphenylene and 2,7-Dimethyltetraphenylene","Journal of Organic Chemistry","2009","74","","359","369","10.1021/jo802061p","","","0.71073","MoKα","","0.134","0.0487","","","0.0682","0.0794","","","","","","0.722","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024244","6.3406","0.0002","15.9727","0.0003","18.9708","0.0005","90","","90","","90","","1921.3","0.09","150","1","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 I2 N O2 S -","- C17 H19 I2 N O2 S -","- C68 H76 I8 N4 O8 S4 -","4","1","","Alena Rudolph; Nils Rackelmann; Marc-Olivier Turcotte-Savard; Mark Lautens","Application of Secondary Alkyl Halides to a Domino Aryl Alkylation Reaction for the Synthesis of Aromatic Heterocycles","Journal of Organic Chemistry","2009","74","","289","297","10.1021/jo802180h","","","0.71073","MoKα","","0.0639","0.0405","","","0.0889","0.1016","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024253","7.3457","0.0005","23.4327","0.0016","29.416","0.002","90","","90","","90","","5063.4","0.6","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H18 S6 -","- C30 H18 S6 -","- C240 H144 S48 -","8","2","","Angelica L. P. Cornacchio; Jacquelyn T. Price; Michael C. Jennings; Robert McDonald; Viktor N. Staroverov; Nathan D. Jones","Meta-Substituted Thienyl Benzenes: A Comparative Synthetic, Structural and Computational Study","Journal of Organic Chemistry","2009","74","","530","544","10.1021/jo801771d","","","0.71073","MoKα","","0.1214","0.0609","","","0.1189","0.1463","","","","","","1.045","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024255","9.7008","0.0007","11.2343","0.0008","16.6045","0.0012","90","","90","","90","","1809.6","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N4 O4 S -","- C16 H20 N4 O4 S -","- C64 H80 N16 O16 S4 -","4","1","","Debatosh Majumdar; Matthew D. Alexander; James K. Coward","Synthesis of Isopeptide Epoxide Peptidomimetics","Journal of Organic Chemistry","2009","74","","617","627","10.1021/jo801907p","","","0.71073","MoKα","","0.0329","0.0285","","","0.0727","0.0755","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024268","12.2526","0.0019","13.692","0.002","16.757","0.003","90","","90","","90","","2811.2","0.8","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Cl2 N3 O4 S -","- C28 H29 Cl2 N3 O4 S -","- C112 H116 Cl8 N12 O16 S4 -","4","1","","Ying Cheng; Yang-Guang Ma; Xiao-Rong Wang; Jun-Ming Mo","An Unprecedented Chemospecific and Stereoselective Tandem Nucleophilic Addition/Cycloaddition Reaction of Nucleophilic Carbenes with Ketenimines","Journal of Organic Chemistry","2009","74","","850","855","10.1021/jo802289s","","","0.7107","MoKα","","0.0313","0.0286","","","0.0602","0.0617","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024273","7.5888","0.0008","15.6047","0.0017","17.3915","0.0019","90","","90","","90","","2059.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O -","- C25 H28 O -","- C100 H112 O4 -","4","1","","Wei Li; Min Shi","A Catalytic Method for the Preparation of Polysubstituted Cyclopentanes: [3+2] Cycloaddition of Vinylidenecyclopropanes with Activated Olefins Catalyzed by Triflic Imide","Journal of Organic Chemistry","2009","74","","856","860","10.1021/jo802294s","","","0.71073","MoKα","","0.0756","0.0523","","","0.1155","0.1254","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024278","5.774","0.001","9.458","0.002","24.34","0.005","90","","90","","90","","1329.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C48 H76 N4 O12 -","4","1","","Alexander G. Zhdanko; Valentine G. Nenajdenko","Nonracemizable Isocyanoacetates for Multicomponent Reactions","Journal of Organic Chemistry","2009","74","","884","887","10.1021/jo802420c","","","0.71073","MoKα","","0.0714","0.0362","","","0.1013","0.1091","","","","","","0.947","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024280","9.3028","0.0002","11.6999","0.0003","21.374","0.0004","90","","90","","90","","2326.39","0.09","120","2","120","2","","","","","","","Claire Kay","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H37 N O7 S -","- C23 H37 N O7 S -","- C92 H148 N4 O28 S4 -","4","1","","Claire L. Morris; Yulai Hu; Geoff D. Head; Lynda J. Brown; William G. Whittingham; Richard C. D. Brown","Oxidative Cyclization Reactions of Trienes and Dienynes: Total Synthesis of Membrarollin","Journal of Organic Chemistry","2009","74","","981","988","10.1021/jo802012a","","","0.71073","MoKα","","0.0663","0.0458","","","0.0917","0.1007","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024286","5.7913","0.0002","15.093","0.0008","17.9076","0.0011","90","","90","","90","","1565.27","0.14","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Arun K. Ghosh; Kai Xi","Total Synthesis of (-)-Platensimycin, a Novel Antibacterial Agent","Journal of Organic Chemistry","2009","74","","1163","1170","10.1021/jo802261f","","","0.71073","MoKα","","0.0528","0.0365","","","0.0823","0.0895","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024287","6.9518","0.0011","13.891","0.002","19.244","0.003","90","","90","","90","","1858.3","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0567","0.0332","","","0.0737","0.0849","","","","","","1.043","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024288","6.9801","0.0008","14.7897","0.0017","18.475","0.002","90","","90","","90","","1907.3","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0941","0.0479","","","0.1006","0.12","","","","","","1.021","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024289","7.2892","0.0011","12.2674","0.0019","22.715","0.004","90","","90","","90","","2031.1","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0714","0.0388","","","0.0855","0.1014","","","","","","1.044","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024290","7.2706","0.0002","14.9994","0.0003","18.4401","0.0004","90","","90","","90","","2010.98","0.08","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl N2 O4 -","- C20 H23 Cl N2 O4 -","- C80 H92 Cl4 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0505","0.036","","","0.0727","0.079","","","","","","1.057","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024291","6.9543","0.0008","14.3884","0.0016","19.721","0.002","90","","90","","90","","1973.3","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0542","0.0392","","","0.0864","0.094","","","","","","1.052","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024292","6.9085","0.0009","10.4624","0.0014","23.366","0.003","90","","90","","90","","1688.9","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O4 -","- C17 H26 N2 O4 -","- C68 H104 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0546","0.0408","","","0.0946","0.1021","","","","","","1.032","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024311","9.878","0.002","13.669","0.003","24.835","0.004","90","","90","","90","","3353.3","1.1","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 N4 O3 -","- C36 H50 N4 O3 -","- C144 H200 N16 O12 -","4","1","","Mercedes Amat; Arantxa Gómez-Esqué; Carmen Escolano; María M. M. Santos; Elies Molins; Joan Bosch","Enantioselective Formal Synthesis of (+)-Dihydrocorynantheine and (-)-Dihydrocorynantheol","Journal of Organic Chemistry","2009","74","","1205","1211","10.1021/jo802387c","","x-ray","0.71073","MoKα","","0.1047","0.0537","","","0.114","0.1304","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024315","7.9368","0.0009","14.6814","0.0018","14.9334","0.0017","90","","90","","90","","1740.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O4 -","- C17 H28 O4 -","- C68 H112 O16 -","4","1","","Guozhi Li; Xiaoxia Yang; Hongbin Zhai","Total Synthesis of (-)-5,6-Dihydrocineromycin B","Journal of Organic Chemistry","2009","74","","1356","1359","10.1021/jo802503x","","","0.71073","MoKα","","0.0843","0.0408","","","0.0822","0.096","","","","","","0.978","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024327","8.9881","0.0007","13.7561","0.001","14.6616","0.0011","90","","90","","90","","1812.8","0.2","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","methyl phomopsenonate","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Tomonobu Toyomasu; Akane Kaneko; Tetsuo Tokiwano; Yuya Kanno; Yuri Kanno; Rie Niida; Shigeyoshi Miura; Taiki Nishioka; Chiho Ikeda; Wataru Mitsuhashi; Tohru Dairi; Tomikazu Kawano; Hideaki Oikawa; Nobuo Kato; Takeshi Sassa","Biosynthetic Gene-Based Secondary Metabolite Screening: A New Diterpene, Methyl Phomopsenonate, from the FungusPhomopsis amygdali","Journal of Organic Chemistry","2009","74","","1541","1548","10.1021/jo802319e","","","1.54187","CuKα","","","0.0245","","","","0.028","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024330","6.6368","0.0003","9.9471","0.0005","19.9623","0.0011","90","","90","","90","","1317.85","0.11","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N2 O6 -","- C13 H18 N2 O6 -","- C52 H72 N8 O24 -","4","1","","Khalil I. Shaikh; Surender Kumar; Lene Lundhus; Andrew D. Bond; Pawan K. Sharma; Poul Nielsen","Synthesis of Bicyclic 2'-Deoxynucleosides with α-l-ribo- and β-d-xylo-Configurations and Restricted S- and N-Type Conformations","Journal of Organic Chemistry","2009","74","","1557","1566","10.1021/jo8023472","","","0.71073","MoKα","","0.0336","0.0304","","","0.0812","0.0824","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024333","9.8651","0.0012","11.3312","0.0013","24.133","0.003","90","","90","","90","","2697.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl [2-methyl 5-acetamido-4-morpholin-4-yl-7,8,9- tri-O-acetyl-3,5-dideoxy-D-glycerol-alfa-D-galacto-non-2- ulopyranosid]onate","","- C23 H36 N2 O12 -","- C23 H36 N2 O12 -","- C92 H144 N8 O48 -","4","1","","Deju Ye; Wenfeng Liu; Dengyou Zhang; Enguang Feng; Hualiang Jiang; Hong Liu","Efficient Dehydrative Sialylation of C-4-Aminated Sialyl-Hemiketal Donors with Ph2SO/Tf2O","Journal of Organic Chemistry","2009","74","","1733","1735","10.1021/jo802396a","","","0.71073","MoKα","","0.0684","0.0561","","","0.1382","0.1447","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024334","7.157","0.003","10.618","0.004","20.531","0.008","90","","90","","90","","1560.1","1","293.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N O3 -","- C16 H24 N O3 -","- C64 H96 N4 O12 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0416","","","","0.0505","","","","","","1.433","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024336","10.4278","0.0008","12.275","0.001","13.8915","0.0011","90","","90","","90","","1778.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F N O3 -","- C19 H22 F N O3 -","- C76 H88 F4 N4 O12 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.71073","MoKα","","0.0486","0.0406","","","0.1204","0.128","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024337","7.5477","0.0005","13.3662","0.0008","19.4035","0.0012","90","","90","","90","","1957.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.71073","MoKα","","0.0474","0.0377","","","0.1175","0.1279","","","","","","0.94","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024339","10.107","0.002","12.684","0.002","13.025","0.002","90","","90","","90","","1669.7","0.5","173.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O3 -","- C19 H22 N O3 -","- C76 H88 N4 O12 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0415","","","","0.0552","","","","","","1.29","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024340","10.222","0.003","13.002","0.004","38.53","0.01","90","","90","","90","","5120.4","0.2","173.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 F N O3 -","- C19 H21 F N O3 -","- C228 H252 F12 N12 O36 -","12","3","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0515","","","","0.075","","","","","","0.824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024341","10.349","0.004","13.271","0.004","13.249","0.005","90","","90","","90","","1819","1","173.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O4 -","- C20 H24 N O4 -","- C80 H96 N4 O16 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0472","","","","0.0597","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024349","5.1367","0.0002","11.0649","0.0005","25.2522","0.0011","90","","90","","90","","1435.26","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br N O2 -","- C16 H14 Br N O2 -","- C64 H56 Br4 N4 O8 -","4","1","","Limin Yang; Bin Tan; Fei Wang; Guofu Zhong","An Unexpected N-Heterocyclic Carbene-Catalyzed Annulation of Enals and Nitroso Compounds","Journal of Organic Chemistry","2009","74","","1744","1746","10.1021/jo802515g","","","0.71073","MoKα","","0.0396","0.0295","","","0.0746","0.0959","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024380","9.2652","0.0009","13.7631","0.0013","31.772","0.003","90","","90","","90","","4051.5","0.7","158","2","158","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O2 S -","- C24 H22 N2 O2 S -","- C192 H176 N16 O16 S8 -","8","2","","Xiao-Long Qiu; Jiewen Zhu; Guikai Wu; Wen-Hwa Lee; A. Richard Chamberlin","Stereoselective Synthesis of Chiral IBR2 Analogues","Journal of Organic Chemistry","2009","74","","2018","2027","10.1021/jo802607f","","","0.71073","MoKα","","0.0565","0.0366","","","0.0732","0.0819","","","","","","1.054","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024381","8.4153","0.0009","13.8166","0.0014","17.6679","0.0018","90","","90","","90","","2054.3","0.4","155","2","155","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C100 H88 N8 O8 S4 -","4","1","","Xiao-Long Qiu; Jiewen Zhu; Guikai Wu; Wen-Hwa Lee; A. Richard Chamberlin","Stereoselective Synthesis of Chiral IBR2 Analogues","Journal of Organic Chemistry","2009","74","","2018","2027","10.1021/jo802607f","","","0.71073","MoKα","","0.0301","0.0278","","","0.0724","0.0743","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024385","9.29884","0.00006","10.68804","0.00007","13.90395","0.00009","90","","90","","90","","1381.86","0.02","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Br O4 -","- C13 H19 Br O4 -","- C52 H76 Br4 O16 -","4","1","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","1.54184","CuKα","","0.0201","0.0196","","","0.0521","0.0523","","","","","","1.047","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024386","9.43332","0.00017","10.8457","0.00015","14.12","0.0003","90","","90","","90","","1444.63","0.04","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Br3 Cl O2 -","- C11 H16 Br3 Cl O2 -","- C44 H64 Br12 Cl4 O8 -","4","1","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","1.54184","CuKα","","0.0519","0.0407","","","0.1035","0.1087","","","","","","1.078","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024394","6.1721","0.0006","10.284","0.0011","19.865","0.002","90","","90","","90","","1260.9","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O -","- C14 H25 N O -","- C56 H100 N4 O4 -","4","1","","Caitlin M. Binder; April Bautista; Marek Zaidlewicz; Marek P. Krzemiński; Allen Oliver; Bakthan Singaram","Dual Stereoselectivity in the Dialkylzinc Reaction Using (-)-β-Pinene Derived Amino Alcohol Chiral Auxiliaries","Journal of Organic Chemistry","2009","74","","2337","2343","10.1021/jo802371z","","","0.71073","MoKα","","0.0388","0.0328","","","0.0824","0.0865","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024409","13.3539","0.0019","13.481","0.002","16.861","0.002","90","","90","","90","","3035.4","0.8","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 N4 O2 S -","- C35 H32 N4 O2 S -","- C140 H128 N16 O8 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.7107","MoKα","","0.0401","0.0366","","","0.0801","0.0819","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024420","5.4356","0.0016","13.512","0.004","18.503","0.006","90","","90","","90","","1359","0.7","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","José C. González-Gómez; Francisco Foubelo; Miguel Yus","Modular Stereocontrolled Assembly of R2Zn, Cyclic Enones and N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2009","74","","2547","2553","10.1021/jo802812w","","","0.71073","MoKα","","0.0956","0.0666","","","0.1406","0.1543","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024422","6.9387","0.0002","13.8095","0.0005","18.6075","0.0006","90","","90","","90","","1782.97","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br O2 -","- C20 H23 Br O2 -","- C80 H92 Br4 O8 -","4","1","","Nai-Wen Tseng; Mark Lautens","Rhodium-Catalyzed Vinylcyclopropanation/Cyclopentenation of Strained Alkenes via a Sequential Carborhodation Process","Journal of Organic Chemistry","2009","74","","2521","2526","10.1021/jo900039g","","","0.71073","MoKα","","0.0714","0.0366","","","0.0747","0.0861","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024432","6.7518","0.0003","17.3942","0.0007","31.4299","0.0013","90","","90","","90","","3691.2","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O6 S -","- C17 H14 Br N O6 S -","- C136 H112 Br8 N8 O48 S8 -","8","2","","Chao Zhou; Zhao Fang; Chunling Fu; Shengming Ma","Highly Regio- and Stereoselective Oxidative Hydroacetoxylation of 1,2-Allenylic Sulfoxides via a Different Mechanism","Journal of Organic Chemistry","2009","74","","2887","2890","10.1021/jo802755k","","","0.71073","MoKα","","0.0569","0.0379","","","0.0886","0.0988","","","","","","1.049","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024439","8.9054","0.0005","12.2932","0.0008","16.4551","0.0009","90","","90","","90","","1801.44","0.18","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Hephzibah J. Kumpaty; Michael L. Van Linn; M. Shahjahan Kabir; F. Holger Försterling; Jeffrey R. Deschamps; James M. Cook","Study of the Cis to Trans Isomerization of 1-Phenyl-2,3-disubstituted Tetrahydro-β-carbolines at C(1). Evidence for the Carbocation-Mediated Mechanism","Journal of Organic Chemistry","2009","74","","2771","2779","10.1021/jo8028168","","","0.71073","MoKα","","0.0315","0.0302","","","0.0812","0.0825","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024440","9.3419","0.0006","13.3456","0.0007","19.2967","0.001","90","","90","","90","","2405.8","0.2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Cl N3 O4 -","- C27 H26 Cl N3 O4 -","- C108 H104 Cl4 N12 O16 -","4","1","","Hephzibah J. Kumpaty; Michael L. Van Linn; M. Shahjahan Kabir; F. Holger Försterling; Jeffrey R. Deschamps; James M. Cook","Study of the Cis to Trans Isomerization of 1-Phenyl-2,3-disubstituted Tetrahydro-β-carbolines at C(1). Evidence for the Carbocation-Mediated Mechanism","Journal of Organic Chemistry","2009","74","","2771","2779","10.1021/jo8028168","","","0.71073","MoKα","","0.0435","0.0349","","","0.0836","0.088","","","","","","1","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024442","4.7002","0.0008","8.2106","0.0013","45.378","0.008","90","","90","","90","","1751.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br F O2 -","- C20 H16 Br F O2 -","- C80 H64 Br4 F4 O8 -","4","1","","Laijun Zhang; Wei Zhang; Jun Liu; Jinbo Hu","C-F Bond Cleavage by Intramolecular SN2 Reaction of Alkyl Fluorides with O- and N-Nucleophiles","Journal of Organic Chemistry","2009","74","","2850","2853","10.1021/jo802819p","","","0.71073","MoKα","","0.1561","0.0468","","","0.0667","0.0985","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024448","10.419","0.004","11.019","0.005","11.262","0.005","90","","90","","90","","1293","1","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,4,5,5-Tetramethyl-2-(1-oxidopyridin-2-yl)- 4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C12 H16 N3 O3 -","- C12 H16 N3 O3 -","- C48 H64 N12 O12 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.0307","0.029","","","0.076","0.0772","","","","","","1.119","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024452","10.323","0.004","11.378","0.005","17.494","0.007","90","","90","","90","","2054.9","1.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,4,5,5-Tetramethyl-2-(4-oxido-3,6-diphenyl -1,2,4-triazin-5-yl)-4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C22 H22 N5 O3 -","- C22 H22 N5 O3 -","- C88 H88 N20 O12 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.1693","0.0655","","","0.1192","0.1432","","","","","","0.85","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024457","6.5451","0.0001","16.7464","0.0001","16.8568","0.0001","90","","90","","90","","1847.62","0.03","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Syed Masood Husain; Roland Fröhlich; Dirk Schepmann; Bernhard Wünsch","Asymmetric Synthesis of Enantiomerically Pure 2-Substituted Tetrahydro-3-benzazepines and Their Affinity to σ1 Receptors","Journal of Organic Chemistry","2009","74","","2788","2793","10.1021/jo900087e","","","1.54178","CuKα","","0.034","0.0331","","","0.0832","0.0838","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024472","8.1614","0.0005","12.3551","0.0007","17.731","0.0011","90","","90","","90","","1787.9","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.0368","0.0312","","","0.0741","0.0773","","","","","","1.033","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024475","7.4625","0.0008","12.4146","0.0014","20.858","0.002","90","","90","","90","","1932.3","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.0299","0.0278","","","0.0727","0.0743","","","","","","1.047","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024476","8.9218","0.0005","12.0276","0.0007","17.7965","0.001","90","","90","","90","","1909.7","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O3 S2 -","- C21 H19 N O3 S2 -","- C84 H76 N4 O12 S8 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.037","0.0322","","","0.0697","0.0713","","","","","","1.081","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024477","9.6685","0.0019","20.336","0.004","23.189","0.005","90","","90","","90","","4559.4","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","gt444.2","","","- C21 H31 F3 N2 O3 -","- C21 H31 F3 N2 O3 -","- C168 H248 F24 N16 O24 -","8","2","","Santos Fustero; Gema Chiva; Julio Piera; Juan F. Sanz-Cervera; Alessandro Volonterio; Matteo Zanda; Carmen Ramírez de Arellano","New Fluorinated Peptidomimetics through Tandem Aza-Michael Addition to α-Trifluoromethyl Acrylamide Acceptors: Synthesis and Conformational Study in Solid State and Solution","Journal of Organic Chemistry","2009","74","","3122","3132","10.1021/jo9001867","","","0.71073","MoKα","","0.0492","0.0345","","","0.0733","0.0789","","","","","","1.079","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024520","10.0878","0.0004","17.7918","0.0007","24.6418","0.001","90","","90","","90","","4422.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H47 N2 O8 -","- C53 H47 N2 O8 -","- C212 H188 N8 O32 -","4","1","","Sharad Gupta; Christian E. Schafmeister","Synthesis of a Carboxylate Functionalized Bis-Amino Acid Monomer","Journal of Organic Chemistry","2009","74","","3652","3658","10.1021/jo802679n","","","0.71073","MoKα","","0.082","0.0659","","","0.1675","0.1758","","","","","","1.394","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024527","6.1755","0.0003","12.6779","0.0006","30.4159","0.0011","90","","90","","90","","2381.33","0.18","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Br N2 O6 -","- C22 H31 Br N2 O6 -","- C88 H124 Br4 N8 O24 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.1","0.0708","","","0.1764","0.1928","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024528","10.1417","0.0001","16.2309","0.0002","27.032","0.0004","90","","90","","90","","4449.71","0.1","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 Br2 N4 O11 -","- C40 H58 Br2 N4 O11 -","- C160 H232 Br8 N16 O44 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0386","0.0343","","","0.0865","0.0888","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024531","6.18536","0.00006","17.91432","0.00012","21.0806","0.00015","90","","90","","90","","2335.87","0.03","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Br N2 O6 -","- C22 H31 Br N2 O6 -","- C88 H124 Br4 N8 O24 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0311","0.0284","","","0.0699","0.0715","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024532","10.1949","0.0001","16.3634","0.0001","50.9856","0.0004","90","","90","","90","","8505.58","0.12","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H52.5 Br2 N4 O9.5 -","- C78 H105 Br4 N8 O19 -","- C312 H420 Br16 N32 O76 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0361","0.0343","","","0.0821","0.0831","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024535","6.3734","0.0002","12.5913","0.0003","26.0483","0.0006","90","","90","","90","","2090.36","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C92 H112 N8 O12 -","4","1","","Seb Caille; Sheng Cui; Tsang-Lin Hwang; Xiang Wang; Margaret M. Faul","Two Asymmetric Syntheses of AMG 221, an Inhibitor of 11β-Hydroxysteroid Dehydrogenase Type 1","Journal of Organic Chemistry","2009","74","","3833","3842","10.1021/jo900287b","","x-ray","0.71073","MoKα","","0.0775","0.0417","","","0.0737","0.0844","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024537","8.3781","0.0011","8.9255","0.0012","16.616","0.002","90","","90","","90","","1242.5","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O7 -","- C11 H16 O7 -","- C44 H64 O28 -","4","1","","Bin Wang; Xin-Yan Wu; O. Andrea Wong; Brian Nettles; Mei-Xin Zhao; Dajun Chen; Yian Shi","A Diacetate Ketone-Catalyzed Asymmetric Epoxidation of Olefins","Journal of Organic Chemistry","2009","74","","3986","3989","10.1021/jo900330n","","","0.71073","MoKα","","0.053","0.0421","","","0.1207","0.1288","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024547","8.5861","0.0003","11.4848","0.0004","16.5942","0.0005","90","","90","","90","","1636.35","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2,3-Dihydro-3-iso-propyl-2-(toluene-4-sulfonyl) benzo[d]isothiazole","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C68 H76 N4 O8 S8 -","4","1","","Cédric Spitz; Jean-François Lohier; Jana Sopkova-de Oliveira Santos; Vincent Reboul; Patrick Metzner","Fluoride Ion and Phosphines as Nucleophilic Catalysts: Synthesis of 1,4-Benzothiazepines from Cyclic Sulfenamides","Journal of Organic Chemistry","2009","74","","3936","3939","10.1021/jo900449a","","","0.71073","MoKα","","0.0219","0.0212","","","0.0607","0.0612","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024548","10.8068","0.0003","11.127","0.0003","14.8373","0.0004","90","","90","","90","","1784.14","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O2 S2 -","- C20 H17 N O2 S2 -","- C80 H68 N4 O8 S8 -","4","1","","Cédric Spitz; Jean-François Lohier; Jana Sopkova-de Oliveira Santos; Vincent Reboul; Patrick Metzner","Fluoride Ion and Phosphines as Nucleophilic Catalysts: Synthesis of 1,4-Benzothiazepines from Cyclic Sulfenamides","Journal of Organic Chemistry","2009","74","","3936","3939","10.1021/jo900449a","","","0.71073","MoKα","","0.0315","0.0264","","","0.0708","0.0743","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024549","12.9032","0.0003","15.0674","0.0003","23.2385","0.0004","90","","90","","90","","4517.98","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-4,5-Dihydro-2,3-dimethyldicarboxylate-4- (toluene-4-sulfonyl)-5-(iso-propyl)-1,4-benzo[f]thiazepine","","- C23 H25 N O6 S2 -","- C23 H25 N O6 S2 -","- C184 H200 N8 O48 S16 -","8","2","","Cédric Spitz; Jean-François Lohier; Jana Sopkova-de Oliveira Santos; Vincent Reboul; Patrick Metzner","Fluoride Ion and Phosphines as Nucleophilic Catalysts: Synthesis of 1,4-Benzothiazepines from Cyclic Sulfenamides","Journal of Organic Chemistry","2009","74","","3936","3939","10.1021/jo900449a","","","0.71073","MoKα","","0.047","0.0354","","","0.0855","0.0918","","","","","","1.043","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024553","10.0832","0.0015","10.59","0.0016","11.4835","0.0017","90","","90","","90","","1226.2","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O3 S -","- C13 H14 O3 S -","- C52 H56 O12 S4 -","4","1","","David Cruz Cruz; Francisco Yuste; M. Rosario Martín; Amelia Tito; José L. García Ruano","1,3-Dipolar Cycloaddition of Diazoalkanes to (S)-(+)-3-[(4-Methylphenyl)sulfinyl]-5,6-dihydropyran-2-one. Synthesis of Optically Pure Cyclopropanes by Denitrogenation of Sulfinyl and Sulfonyl Pyrazolines","Journal of Organic Chemistry","2009","74","","3820","3826","10.1021/jo900525s","","","0.71073","MoKα","","0.0486","0.0379","","","0.074","0.0774","","","","","","0.917","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024554","6.0768","0.0007","10.4374","0.0013","20.79","0.003","90","","90","","90","","1318.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 S -","- C14 H16 O3 S -","- C56 H64 O12 S4 -","4","1","","David Cruz Cruz; Francisco Yuste; M. Rosario Martín; Amelia Tito; José L. García Ruano","1,3-Dipolar Cycloaddition of Diazoalkanes to (S)-(+)-3-[(4-Methylphenyl)sulfinyl]-5,6-dihydropyran-2-one. Synthesis of Optically Pure Cyclopropanes by Denitrogenation of Sulfinyl and Sulfonyl Pyrazolines","Journal of Organic Chemistry","2009","74","","3820","3826","10.1021/jo900525s","","","0.71073","MoKα","","0.0306","0.0299","","","0.0755","0.076","","","","","","1.078","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024555","9.5967","0.0017","13.576","0.003","22.201","0.006","90","","90","","90","","2892.5","1.1","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N3 O7 -","- C27 H39 N3 O7 -","- C108 H156 N12 O28 -","4","1","","Andrew D. Abell; Nathan A. Alexander; Steven G. Aitken; Hongyuan Chen; James M. Coxon; Matthew A. Jones; Stephen B. McNabb; Andrew Muscroft-Taylor","Synthesis of Macrocyclic β-Strand Templates by Ring Closing Metathesis","Journal of Organic Chemistry","2009","74","","4354","4356","10.1021/jo802723w","","","0.71073","MoKα","","0.0529","0.0422","","","0.0976","0.1153","","","","","","1.22","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024568","9.1263","0.0007","11.538","0.001","16.9865","0.0012","90","","90","","90","","1788.7","0.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O6 -","- C17 H24 N2 O6 -","- C68 H96 N8 O24 -","4","1","","N. Deppermann; A. H. G. P. Prenzel; A. Beitat; W. Maison","Synthesis of Proline-Based Diketopiperazine Scaffolds","Journal of Organic Chemistry","2009","74","","4267","4271","10.1021/jo9004876","","","0.71073","MoKα","","0.0514","0.038","","","0.0864","0.0918","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024569","7.4474","0.0003","9.3128","0.0004","35.4835","0.0012","90","","90","","90","","2461","0.17","93.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Br O4 Si -","- C25 H33 Br O4 Si -","- C100 H132 Br4 O16 Si4 -","4","1","","Yoshihiro Natori; Hideyuki Tsutsui; Naoki Sato; Seiichi Nakamura; Hisanori Nambu; Motoo Shiro; Shunichi Hashimoto","Asymmetric Synthesis of Neolignans (-)-epi-Conocarpan and (+)-Conocarpan via Rh(II)-Catalyzed C-H Insertion Process and Revision of the Absolute Configuration of (-)-epi-Conocarpan","Journal of Organic Chemistry","2009","74","","4418","4421","10.1021/jo900502d","","","0.71075","MoKα","","","0.0218","","","","0.0503","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024593","10.4876","0.0012","23.375","0.003","26.449","0.003","90","","90","","90","","6483.9","1.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H65 Ag2 Cl5 N4 -","- C73 H65 Ag2 Cl5 N4 -","- C292 H260 Ag8 Cl20 N16 -","4","1","","Kang-sang Lee; Amir H. Hoveyda","Monodentate Non-C2-symmetric Chiral N-Heterocyclic Carbene Complexes for Enantioselective Synthesis. Cu-Catalyzed Conjugate Additions of Aryl- and Alkenylsilylfluorides to Cyclic Enones","Journal of Organic Chemistry","2009","74","","4455","4462","10.1021/jo900589x","","","0.71073","MoKα","","0.0691","0.0491","","","0.0871","0.0933","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024596","12.439","0.002","15.741","0.003","15.883","0.003","90","","90","","90","","3109.9","1","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 N2 O3 Si -","- C33 H42 N2 O3 Si -","- C132 H168 N8 O12 Si4 -","4","1","","Giordano Lesma; Nicola Landoni; Tullio Pilati; Alessandro Sacchetti; Alessandra Silvani","Grignard Addition to Imines Derived from Isatine: A Method for the Asymmetric Synthesis of Quaternary 3-Aminooxindoles","Journal of Organic Chemistry","2009","74","","4537","4541","10.1021/jo900623c","","","0.71073","MoKα","","0.076","0.0372","","","0.0711","0.0847","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024609","11.7111","0.0002","11.7978","0.0002","37.5941","0.0007","90","","90","","90","","5194.2","0.16","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C208 H272 N16 O32 -","8","2","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.1556","0.0542","","","0.1279","0.149","","","","","","0.993","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024610","11.1614","0.0006","12.0504","0.0006","18.1145","0.0008","90","","90","","90","","2436.4","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O4 -","- C25 H32 N2 O4 -","- C100 H128 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0578","0.045","","","0.1199","0.1338","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024611","10.3923","0.0005","14.8644","0.0007","16.1866","0.0007","90","","90","","90","","2500.4","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O4 -","- C25 H32 N2 O4 -","- C100 H128 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0664","0.0462","","","0.1308","0.1524","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024612","10.039","0.0007","13.2921","0.0009","19.1025","0.0013","90","","90","","90","","2549","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.131","0.0642","","","0.1436","0.1848","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024613","9.8874","0.0016","14.583","0.003","17.664","0.003","90","","90","","90","","2546.9","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0713","0.0408","","","0.0939","0.1117","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024614","9.7394","0.0005","13.3833","0.0007","19.0046","0.0008","90","","90","","90","","2477.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O4 -","- C25 H32 N2 O4 -","- C100 H128 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.093","0.054","","","0.1167","0.1459","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024617","6.1613","0.0003","15.2508","0.0007","32.8063","0.0017","90","","90","","90","","3082.6","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 I N3 O5 -","- C31 H40 I N3 O5 -","- C124 H160 I4 N12 O20 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.1088","0.0472","","","0.0782","0.0945","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024621","8.6771","0.0004","13.5424","0.0006","15.5225","0.0007","90","","90","","90","","1824.03","0.14","233","","233","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 O -","- C26 H18 O -","- C104 H72 O4 -","4","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0378","0.0345","","","0.0928","0.096","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024625","8.8352","0.0004","13.4061","0.0007","15.7051","0.0008","90","","90","","90","","1860.2","0.16","233","","233","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0388","0.0353","","","0.1119","0.1175","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024627","7.0114","0.0008","7.4934","0.0007","34.767","0.003","90","","90","","90","","1826.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F3 O5 S -","- C19 H15 F3 O5 S -","- C76 H60 F12 O20 S4 -","4","1","","Richard J. Duffy; Kay A. Morris; Ravikrishna Vallakati; Wei Zhang; Daniel Romo","Asymmetric Synthesis, Structure, and Reactivity of Unexpectedly Stable Spiroepoxy-β-Lactones Including Facile Conversion to Tetronic Acids: Application to (+)-Maculalactone A","Journal of Organic Chemistry","2009","74","","4772","4781","10.1021/jo900499e","","","1.54178","CuKα","","0.0356","0.0313","","","0.0802","0.0847","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024663","11.799","0.004","12.598","0.004","33.55","0.01","90","","90","","90","","4987","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H74 N2 O6 Si4 -","- C48 H74 N2 O6 Si4 -","- C192 H296 N8 O24 Si16 -","4","1","","Steven J. Robbins; Michelle E. Thibault; Jason D. Masuda; David R. Ward; René T. Boeré; Peter W. Dibble","X-ray Structures of Cyclophanes Derived from Naphtho[1,2-c:5,6-c]difuran and the Synthesis, Structure, and Reaction Kinetics of Its 1,3,6,8-Tetrasilylated Derivative","Journal of Organic Chemistry","2009","74","","5192","5198","10.1021/jo900582r","","","0.71073","MoKα","","0.0506","0.0429","","","0.0967","0.101","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024672","9.2169","0.0009","12.9166","0.0013","13.6787","0.0013","90","","90","","90","","1628.5","0.3","150","2","150","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O2 S -","- C15 H20 N2 O2 S -","- C60 H80 N8 O8 S4 -","4","1","","Vommina V. Sureshbabu; Shankar A. Naik; H. P. Hemantha; N. Narendra; Ushati Das; Tayur N. Guru Row","N-Urethane-Protected Amino Alkyl Isothiocyanates: Synthesis, Isolation, Characterization, and Application to the Synthesis of Thioureidopeptides","Journal of Organic Chemistry","2009","74","","5260","5266","10.1021/jo900675s","","x-ray","0.71073","MoKα","","0.0577","0.0453","","","0.0997","0.1041","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024685","8.8159","0.0018","10.764","0.002","22.427","0.005","90","","90","","90","","2128.1","0.8","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Douglass F. Taber; Peiming Gu; Rui Li","A Divergent Synthesis of the Δ13-9-Isofurans","Journal of Organic Chemistry","2009","74","","5516","5522","10.1021/jo900767x","","","0.71073","MoKα","","0.0596","0.0481","","","0.108","0.1148","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024692","7.5823","0.0007","8.0179","0.0007","28.521","0.003","90","","90","","90","","1733.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C72 H80 O28 -","4","1","","Girish K. Rawal; Shikha Rani; Nitee Kumari; Yashwant D. Vankar","Regio- and Stereocontrolled Selective Debenzylation and Substitution Reactions of C-2 Formyl Glycals. Application in the Synthesis of Constrained β-Sugar Amino Acids","Journal of Organic Chemistry","2009","74","","5349","5355","10.1021/jo9008222","","","0.71073","MoKα","","0.0654","0.0513","","","0.1047","0.1111","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024709","20.479","0.004","14.045","0.003","5.5773","0.0011","90","","90","","90","","1604.2","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0819","0.0745","","","0.1416","0.1435","","","","","","1.43","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024713","9.4899","0.0005","10.8273","0.0006","16.5506","0.0009","90","","90","","90","","1700.57","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O2 -","- C20 H20 Cl N O2 -","- C80 H80 Cl4 N4 O8 -","4","1","","Hua Yang; Rich G. Carter","Asymmetric Construction of Nitrogen-Containing [2.2.2] Bicyclic Scaffolds Using N-(p-Dodecylphenylsulfonyl)-2-pyrrolidinecarboxamide","Journal of Organic Chemistry","2009","74","","5151","5156","10.1021/jo9009062","","","0.71073","MoKα","","0.036","0.0333","","","0.0841","0.0866","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024719","9.1222","0.0005","14.0046","0.0008","16.0182","0.0009","90","","90","","90","","2046.4","0.2","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O4 Si -","- C23 H28 O4 Si -","- C92 H112 O16 Si4 -","4","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0432","0.0393","","","0.0669","0.0674","","","","","","1.664","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024726","5.9142","0.0012","16.624","0.003","18.475","0.004","90","","90","","90","","1816.4","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N O7 S -","- C15 H25 N O7 S -","- C60 H100 N4 O28 S4 -","4","1","","Chun-Ling Gu; Li Liu; Dong Wang; Yong-Jun Chen","Tunable and Highly Regio- and Diastereoselective Vinylogous Mannich-Type Reaction of Dioxinone-Derived Silyl Dienolate","Journal of Organic Chemistry","2009","74","","5754","5757","10.1021/jo900977y","","","0.71073","MoKα","","0.0634","0.0518","","","0.1529","0.1909","","","","","","1.246","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024727","12.3355","0.0002","16.4408","0.0002","27.3926","0.0004","90","","90","","90","","5555.37","0.14","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H67 Cl2 N2 O11 P -","- C62 H67 Cl2 N2 O11 P -","- C248 H268 Cl8 N8 O44 P4 -","4","1","","Prasad L. Polavarapu; Ana G. Petrovic; Sarah E. Vick; William D. Wulff; Hong Ren; Zhensheng Ding; Richard J. Staples","Absolute Configuration of 3,3'-Diphenyl-[2,2'-binaphthalene]-1,1'-diol Revisited","Journal of Organic Chemistry","2009","74","","5451","5457","10.1021/jo901013z","","x-ray","1.54178","CuKα","","0.0848","0.0701","","","0.1803","0.1918","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024731","8.7131","0.001","8.9587","0.0011","12.5043","0.0015","90","","90","","90","","976.1","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C40 H72 O8 -","4","1","","Olivier Corminboeuf; Larry E. Overman; Lewis D. Pennington","A Unified Strategy for Enantioselective Total Synthesis of Cladiellin and Briarellin Diterpenes: Total Synthesis of Briarellins E and F and the Putative Structure of Alcyonin and Revision of Its Structure Assignment","Journal of Organic Chemistry","2009","74","","5458","5470","10.1021/jo9010156","","","0.71073","MoKα","","0.0633","0.0547","","","0.1469","0.1567","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024734","8.2236","0.0007","20.444","0.003","38.045","0.005","90","","90","","90","","6396.3","1.4","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 N O3 S Sn -","- C31 H50 N O3 S Sn -","- C248 H400 N8 O24 S8 Sn8 -","8","2","","Vincent Coeffard; Erwan Le Grognec; Isabelle Beaudet; Michel Evain; Jean-Paul Quintard","Synthesis of Highly Enantioenriched Chiral α-Aminoorganotins via Diastereoselective Ring Opening of Chiral N-(Arenesulfonyl) 2-Tributylstannyloxazolidines","Journal of Organic Chemistry","2009","74","","5822","5838","10.1021/jo900223k","","","0.71069","MoKα","","0.155","0.0982","","","0.1648","0.1802","","","","2.1","2.1","1.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024735","7.8641","0.0007","20.288","0.002","38.732","0.003","90","","90","","90","","6179.6","1","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 N O3 S Sn -","- C30 H47 N O3 S Sn -","- C240 H376 N8 O24 S8 Sn8 -","8","2","","Vincent Coeffard; Erwan Le Grognec; Isabelle Beaudet; Michel Evain; Jean-Paul Quintard","Synthesis of Highly Enantioenriched Chiral α-Aminoorganotins via Diastereoselective Ring Opening of Chiral N-(Arenesulfonyl) 2-Tributylstannyloxazolidines","Journal of Organic Chemistry","2009","74","","5822","5838","10.1021/jo900223k","","","0.71069","MoKα","","0.046","0.0361","","","0.0847","0.09","","","","1.39","1.39","1.4","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024736","7.5154","0.0012","15.5547","0.0017","49.389","0.005","90","","90","","90","","5773.6","1.3","100","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 N2 O5 S Sn -","- C27 H40 N2 O5 S Sn -","- C216 H320 N16 O40 S8 Sn8 -","8","2","","Vincent Coeffard; Erwan Le Grognec; Isabelle Beaudet; Michel Evain; Jean-Paul Quintard","Synthesis of Highly Enantioenriched Chiral α-Aminoorganotins via Diastereoselective Ring Opening of Chiral N-(Arenesulfonyl) 2-Tributylstannyloxazolidines","Journal of Organic Chemistry","2009","74","","5822","5838","10.1021/jo900223k","","","0.71069","MoKα","","0.0517","0.0435","","","0.1083","0.114","","","","1.89","1.89","1.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024738","10.5722","0.0003","20.8611","0.0006","21.2475","0.0005","90","","90","","90","","4686.1","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C180 H264 N24 O24 -","12","3","","Andrei V. Malkov; Kvetoslava Vranková; Sigitas Stončius; Pavel Kočovský","Asymmetric Reduction of Imines with Trichlorosilane, Catalyzed by Sigamide, an Amino Acid-Derived Formamide: Scope and Limitations","Journal of Organic Chemistry","2009","74","","5839","5849","10.1021/jo900561h","","","0.71073","MoKα","","0.0907","0.0735","","0.1953","0.1865","0.1953","","","","","","0.9865","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024741","10.4164","0.0003","17.5391","0.0005","21.0938","0.0006","90","","90","","90","","3853.72","0.19","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C160 H200 N8 O48 -","8","2","","O. Andrea Wong; Bin Wang; Mei-Xin Zhao; Yian Shi","Asymmetric Epoxidation Catalyzed by α,α-Dimethylmorpholinone Ketone. Methyl Group Effect on Spiro and Planar Transition States","Journal of Organic Chemistry","2009","74","","6335","6338","10.1021/jo900739q","","","0.71073","MoKα","","0.0936","0.0529","","","0.1397","0.1812","","","","","","0.752","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024748","7.2254","0.0009","12.6313","0.0015","15.299","0.002","90","","90","","90","","1396.2","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O S2 -","- C15 H20 O S2 -","- C60 H80 O4 S8 -","4","1","","Amos B. Smith; Megan A. Foley; Shuzhi Dong; Alia Orbin","(+)-Rimocidin Synthetic Studies: Construction of the C(1-27) Aglycone Skeleton","Journal of Organic Chemistry","2009","74","","5987","6001","10.1021/jo900765p","","","0.71069","MoKα","","0.0206","0.02","","","0.0547","0.0549","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024763","12.8067","0.0012","14.7475","0.0013","16.7683","0.0015","90","","90","","90","","3167","0.5","298","1","298","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N4 -","- C15 H22 N4 -","- C120 H176 N32 -","8","2","","Diana Almaşi; Diego A. Alonso; Enrique Gómez-Bengoa; Carmen Nájera","Chiral 2-Aminobenzimidazoles as Recoverable Organocatalysts for the Addition of 1,3-Dicarbonyl Compounds to Nitroalkenes","Journal of Organic Chemistry","2009","74","","6163","6168","10.1021/jo9010552","","","0.71073","MoKα","","0.0787","0.0492","","","0.1109","0.1242","","","","","","1.099","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024764","5.673","0.003","14.165","0.008","20.076","0.011","90","","90","","90","","1613.1","1.5","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Diana Almaşi; Diego A. Alonso; Enrique Gómez-Bengoa; Carmen Nájera","Chiral 2-Aminobenzimidazoles as Recoverable Organocatalysts for the Addition of 1,3-Dicarbonyl Compounds to Nitroalkenes","Journal of Organic Chemistry","2009","74","","6163","6168","10.1021/jo9010552","","","0.71073","MoKα","","0.1668","0.0661","","","0.1207","0.1626","","","","","","1.01","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024766","8.9036","0.0003","12.6996","0.0004","21.5174","0.0008","90","","90","","90","","2433.02","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N2 O6 -","- C25 H36 N2 O6 -","- C100 H144 N8 O24 -","4","1","","John R. Goodell; Jonathan P. McMullen; Nikolay Zaborenko; Jason R. Maloney; Chuan-Xing Ho; Klavs F. Jensen; John A. Porco; Aaron B. Beeler","Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds","Journal of Organic Chemistry","2009","74","","6169","6180","10.1021/jo901073v","","","0.71073","MoKα","","0.052","0.0403","","","0.0952","0.101","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024768","7.5607","0.0003","10.2164","0.0005","17.0611","0.0008","90","","90","","90","","1317.85","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","John R. Goodell; Jonathan P. McMullen; Nikolay Zaborenko; Jason R. Maloney; Chuan-Xing Ho; Klavs F. Jensen; John A. Porco; Aaron B. Beeler","Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds","Journal of Organic Chemistry","2009","74","","6169","6180","10.1021/jo901073v","","","0.71073","MoKα","","0.0314","0.0296","","","0.0786","0.0799","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024779","14.151","0.0003","18.317","0.0004","21.0453","0.0005","90","","90","","90","","5455","0.2","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C76 H64 -","- C76 H64 -","- C304 H256 -","4","1","","Anupam Mukherjee; Kamalkishore Pati; Rai-Shung Liu","A Convenient Synthesis of Tetrabenzo[de,hi,mn,qr]naphthacene from Readily Available 1,2-Di(phenanthren-4-yl)ethyne","Journal of Organic Chemistry","2009","74","","6311","6314","10.1021/jo901177e","","","0.71073","MoKα","","0.1409","0.1323","","","0.3158","0.3204","","","","","","1.082","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024786","9.7187","0.0004","9.852","0.0004","18.5662","0.0008","90","","90","","90","","1777.69","0.13","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N5 O5 -","- C17 H21 N5 O5 -","- C68 H84 N20 O20 -","4","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0365","0.0347","","","0.0877","0.0889","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024795","8.8165","0.0005","11.1574","0.0006","12.4237","0.0007","90","","90","","90","","1222.11","0.12","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Oxepines","","","- C12 H18 O6 -","- C12 H18 O6 -","- C48 H72 O24 -","4","1","","Vrushali H. Jadhav; Omprakash P. Bande; Rahul V. Pinjari; Shridhar P. Gejji; Vedavati G. Puranik; Dilip D. Dhavale","Synthesis and Conformational Study of Chiral Oxepines: The Baylis-Hillman Reaction and RCM Approach with Sugar Aldehyde","Journal of Organic Chemistry","2009","74","","6486","6494","10.1021/jo900660q","","","0.71073","MoKα","","0.0432","0.0426","","","0.1031","0.1038","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024832","5.788","0.002","10.571","0.004","23.447","0.01","90","","90","","90","","1434.8","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Liang Hong; Lei Wang; Wangsheng Sun; Kwokyin Wong; Rui Wang","Organocatalytic Asymmetric Friedel-Crafts Alkylation/Cyclization Cascade Reaction of 1-Naphthols and α,β-Unsaturated Aldehydes: An Enantioselective Synthesis of Chromanes and Dihydrobenzopyranes","Journal of Organic Chemistry","2009","74","","6881","6884","10.1021/jo901409d","","","0.71073","MoKα","","0.0455","0.0365","","","0.0842","0.0897","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024843","9.6995","0.001","11.1496","0.0011","29.233","0.003","90","","90","","90","","3161.4","0.6","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O4 -","- C18.0025 H22 O4 -","- C144.02 H176 O32 -","8","2","","Joseph J. Topczewski; Jeffrey D. Neighbors; David F. Wiemer","Total Synthesis of (+)-Schweinfurthins B and E","Journal of Organic Chemistry","2009","74","","6965","6972","10.1021/jo901161m","","","0.71073","MoKα","","0.0705","0.038","","","0.07","0.0796","","","","","","1.022","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024844","8.3448","0.0017","14.71","0.003","17.722","0.004","90","","90","","90","","2175.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 F3 N2 O4 -","- C23 H23 F3 N2 O4 -","- C92 H92 F12 N8 O16 -","4","1","","Debasis Samanta; Robert B. Kargbo; Gregory R. Cook","Asymmetric Synthesis of Aminochromanes via Intramolecular Indium-Mediated Allylation of Chiral Hydrazones","Journal of Organic Chemistry","2009","74","","7183","7186","10.1021/jo901195g","","","0.71073","mokα","","0.1373","0.0464","","","0.0913","0.1206","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024845","8.508","0.005","10.467","0.005","22.375","0.005","90","","90","","90","","1992.6","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Manas K. Ghorai; Dipti Shukla; Kalpataru Das","Enantioselective Syntheses of Morpholines and Their Homologues via SN2-Type Ring Opening of Aziridines and Azetidines with Haloalcohols","Journal of Organic Chemistry","2009","74","","7013","7022","10.1021/jo901297d","","x-ray","0.71069","MoKα","","0.0798","0.0557","","","0.1376","0.1789","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024862","6.225","0.002","10.639","0.004","21.229","0.007","90","","90","","90","","1405.8","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.1086","0.0946","","","0.1978","0.2038","","","","","","1.309","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024870","8.4424","0.0004","13.3817","0.0006","16.9812","0.0008","90","","90","","90","","1918.43","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 F3 O3 -","- C22 H23 F3 O3 -","- C88 H92 F12 O12 -","4","1","","Changho Han; Francis J. Barrios; Mark V. Riofski; David A. Colby","Semisynthetic Derivatives of Sesquiterpene Lactones by Palladium-Catalyzed Arylation of the α-Methylene-γ-lactone Substructure","Journal of Organic Chemistry","2009","74","","7176","7179","10.1021/jo901533e","","","1.54184","CU-Kα","","0.051","0.038","","","0.076","0.087","","","","","","1.007","","","","has coordinates","288533","2023-12-23","23:49:11",""
"4024877","8.698","0.0011","9.5228","0.0012","20.257","0.003","90","","90","","90","","1677.9","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Qi-Fang Wang; Hong Hou; Li Hui; Chao-Guo Yan","Diastereoselective Synthesis oftrans-2,3-Dihydrofurans with Pyridinium Ylide Assisted Tandem Reaction","Journal of Organic Chemistry","2009","74","","7403","7406","10.1021/jo901379h","","","0.71073","MoKα","","0.0636","0.0553","","","0.1519","0.1599","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024888","6.7519","0.0008","11.0762","0.0014","24.916","0.004","90","","90","","90","","1863.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Cl2 N2 O -","- C19 H26 Cl2 N2 O -","- C76 H104 Cl8 N8 O4 -","4","1","","Renzhong Fu; Baoguo Zhao; Yian Shi","Synthesis of (+)-CP-99,994 via Pd(0)-Catalyzed Asymmetric Allylic and Homoallylic C-H Diamination of Terminal Olefin","Journal of Organic Chemistry","2009","74","","7577","7580","10.1021/jo9015584","","","0.71073","MoKα","","0.2057","0.0764","","","0.144","0.198","","","","","","0.888","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024889","10.375","0.002","11.449","0.003","15.153","0.004","90","","90","","90","","1799.9","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Ileana I. Rodríguez; Abimael D. Rodríguez; Hong Zhao","Aberrarone: A Gorgonian-Derived Diterpene from Pseudopterogorgia elisabethae","Journal of Organic Chemistry","2009","74","","7581","7584","10.1021/jo901578r","","","0.71073","MoKα","","0.0468","0.0344","","","0.0802","0.0849","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024915","10.1833","0.0008","16.714","0.0013","20.099","0.0015","90","","90","","90","","3420.9","0.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H53 Br O3 Si2 -","- C32 H53 Br O3 Si2 -","- C128 H212 Br4 O12 Si8 -","4","1","","Paul A. Clarke; Andrew P. Cridland; Gabriele A. Rolla; Mudassar Iqbal; Nigel P. Bainbridge; Adrian C. Whitwood; Claire Wilson","Studies on the Synthesis of the ABC Rings of (\±)-Hexacyclinic Acid","Journal of Organic Chemistry","2009","74","","7812","7821","10.1021/jo901547k","","","0.71073","MoKα","","0.0365","0.0285","","","0.0559","0.0577","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024934","5.5358","0.0006","15.504","0.003","19.766","0.002","90","","90","","90","","1696.5","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Sezgin Kiren; Albert Padwa","A Benzannulation Protocol To Prepare Substituted Aryl Amines Using a Michael-Aldol Reaction of β-Keto Sulfones","Journal of Organic Chemistry","2009","74","","7781","7789","10.1021/jo9017793","","","1.54178","CuKα","","0.0627","0.0473","","","0.0967","0.1022","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024945","6.5176","0.0002","11.669","0.0005","23.919","0.0009","90","","90","","90","","1819.13","0.12","123","","123","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Karine Guitot; Stefano Carboni; Oliver Reiser; Umberto Piarulli","Synthesis of (S)- and (R)-5-Oxo-piperazine-2-Carboxylic Acid and Its Application to Peptidomimetics","Journal of Organic Chemistry","2009","74","","8433","8436","10.1021/jo901389q","","x-ray","1.54184","CuKα","","0.0305","0.0283","","","0.0713","0.0723","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024946","9.8547","0.0014","10.3222","0.0014","21.131","0.003","90","","90","","90","","2149.5","0.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N3 O4 -","- C21 H31 N3 O4 -","- C84 H124 N12 O16 -","4","1","","Giordano Lesma; Nicola Landoni; Tullio Pilati; Alessandro Sacchetti; Alessandra Silvani","Tetrahydroisoquinoline-Based Spirocyclic Lactam as a Type II' β-Turn Inducing Peptide Mimetic","Journal of Organic Chemistry","2009","74","","8098","8105","10.1021/jo901480d","","","0.71073","MoKα","","0.0599","0.0436","","","0.1116","0.1218","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024954","8.7011","0.0004","10.9491","0.0004","18.5054","0.0007","90","","90","","90","","1762.99","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N3 O4 Pd -","- C17 H29 N3 O4 Pd -","- C68 H116 N12 O16 Pd4 -","4","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.041","0.0283","","","0.0372","0.0383","","","","","","1.624","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4024960","9.6761","0.0008","10.4335","0.0008","14.268","0.0006","90","","90","","90","","1440.43","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Margareta Horvat; Helmut Görner; Klaus-Dieter Warzecha; Jörg Neudörfl; Axel G. Griesbeck; Kata Mlinarić-Majerski; Nikola Basarić","Photoinitiated Domino Reactions: N-(Adamantyl)phthalimides and N-(Adamantylalkyl)phthalimides","Journal of Organic Chemistry","2009","74","","8219","8231","10.1021/jo901753z","","","0.71073","MoKα","","0.0403","0.0327","","","0.0744","0.0765","","","","","","1.037","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024971","5.5776","0.0007","13.9511","0.0017","25.656","0.003","90","","90","","90","","1996.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O7 -","- C19 H25 N O7 -","- C76 H100 N4 O28 -","4","1","","Benito Alcaide; Pedro Almendros; Cristina Aragoncillo; Ricardo Callejo; M. Pilar Ruiz; M. Rosario Torres","Rhodium-Catalyzed Synthesis of 3-Hydroxy-β-lactams via Oxonium Ylide Generation: Three-Component Reaction between Azetidine-2,3-diones, Ethyl Diazoacetate, and Alcohols","Journal of Organic Chemistry","2009","74","","8421","8424","10.1021/jo9019013","","","0.71073","MoKα","","0.1735","0.0464","","","0.0832","0.106","","","","","","0.882","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025038","6.0602","0.0002","13.2865","0.0009","18.6571","0.001","90","","90","","90","","1502.25","0.14","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cl O4 -","- C16 H19 Cl O4 -","- C64 H76 Cl4 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0976","0.0587","","","0.1311","0.1545","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025039","6.3016","0.0001","13.5401","0.0005","18.7259","0.0007","90","","90","","90","","1597.77","0.09","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl O4 -","- C17 H19 Cl O4 -","- C68 H76 Cl4 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0686","0.0464","","","0.1074","0.1207","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025045","12.17","0.02","17.79","0.03","29.23","0.05","90","","90","","90","","6328","18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H89 N15 O25 -","- C51 H75 N15 O25 -","- C204 H300 N60 O100 -","4","1","","Pedro Mateus; Rita Delgado; Paula Brandão; Vítor Félix","Polyaza Cryptand Receptor Selective for Dihydrogen Phosphate","Journal of Organic Chemistry","2009","74","","8638","8646","10.1021/jo901742d","","","0.71073","MoKα","","0.124","0.0729","","","0.1847","0.2109","","","","","","1.021","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025066","7.5161","0.0014","10.5364","0.0015","18.313","0.003","90","","90","","90","","1450.2","0.4","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Rodney A. Fernandes; Asim K. Chowdhury","Total Syntheses of All Stereoisomers of Phenatic Acid B","Journal of Organic Chemistry","2009","74","","8826","8829","10.1021/jo901927w","","","0.71073","MoKα","","0.103","0.0578","","","0.0858","0.098","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025067","8.2341","0.0017","9.967","0.003","18.314","0.004","90","","90","","90","","1503","0.6","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Rodney A. Fernandes; Asim K. Chowdhury","Total Syntheses of All Stereoisomers of Phenatic Acid B","Journal of Organic Chemistry","2009","74","","8826","8829","10.1021/jo901927w","","","0.71073","MoKα","","0.0819","0.0514","","","0.1355","0.1582","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025075","6.0871","0.0003","8.8078","0.0005","24.0887","0.0011","90","","90","","90","","1291.49","0.11","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Julie Moreau; Claudie Hubert; Jessika Batany; Loic Toupet; Thierry Roisnel; Jean-Pierre Hurvois; Jean-Luc Renaud","Metal-Free Brønsted Acid Catalyzed Formal [3 + 3] Annulation. Straightforward Synthesis of Dihydro-2H-Chromenones, Pyranones, and Tetrahydroquinolinones","Journal of Organic Chemistry","2009","74","","8963","8973","10.1021/jo901238y","","x-ray","0.71073","MoKα","","0.0334","0.0327","","","0.0828","0.0831","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025087","9.629","0.0019","10.042","0.002","25.85","0.005","90","","90","","90","","2499.5","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O3 S -","- C26 H28 N2 O3 S -","- C104 H112 N8 O12 S4 -","4","1","","Tommy Bui; Mar Borregan; Carlos F. Barbas","Expanding the Scope of Cinchona Alkaloid-Catalyzed Enantioselective α-Aminations of Oxindoles: A Versatile Approach to Optically Active 3-Amino-2-oxindole Derivatives","Journal of Organic Chemistry","2009","74","","8935","8938","10.1021/jo902039a","","","0.71073","MoKα","","0.0813","0.0684","","","0.1515","0.1583","","","","","","1.177","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025091","8.1","0.003","8.189","0.003","24.65","0.008","90","","90","","90","","1635","1","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O4 S -","- C16 H20 N2 O4 S -","- C64 H80 N8 O16 S4 -","4","1","","Tetsuya Tsujihara; Toshio Shinohara; Kazuhiro Takenaka; Shinobu Takizawa; Kiyotaka Onitsuka; Minoru Hatanaka; Hiroaki Sasai","Enantioselective Intramolecular Oxidative Aminocarbonylation of Alkenylureas Catalyzed by Palladium-Spiro Bis(isoxazoline) Complexes","Journal of Organic Chemistry","2009","74","","9274","9279","10.1021/jo901778a","","","0.71069","MoKα","","","0.0249","","","","0.0686","","","","","","0.737","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025115","4.8386","0.001","10.616","0.002","27.704","0.006","90","","90","","90","","1423.1","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Cl O4 -","- C14 H17 Cl O4 -","- C56 H68 Cl4 O16 -","4","1","","Sanzhong Luo; Yupu Qiao; Long Zhang; Jiuyuan Li; Xin Li; Jin-Pei Cheng","Asymmetric Direct Aldol Reactions of Acetoacetals Catalyzed by a Simple Chiral Primary Amine","Journal of Organic Chemistry","2009","74","","9521","9523","10.1021/jo9021259","","","0.71073","MoKα","","0.041","0.0391","","","0.0973","0.0991","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025130","6.0261","0.0007","19.368","0.002","20.028","0.002","90","","90","","90","","2337.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br F O3 -","- C25 H24 Br F O3 -","- C100 H96 Br4 F4 O12 -","4","1","","Hai-Feng Cui; Ying-Quan Yang; Zhuo Chai; Peng Li; Chang-Wu Zheng; Shi-Zheng Zhu; Gang Zhao","Enantioselective Synthesis of Functionalized Fluorinated Cyclohexenones via Robinson Annulation Catalyzed by Primary-Secondary Diamines","Journal of Organic Chemistry","2010","75","","117","122","10.1021/jo902081w","","","0.71073","MoKα","","0.0749","0.0443","","","0.0904","0.0963","","","","","","0.832","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025131","5.4052","0.0004","11.0625","0.0012","30.808","0.004","90","","90","","90","","1842.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","Rocío Robles-Machín; María González-Esguevillas; Javier Adrio; Juan C. Carretero","Cu-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with β-Phenylsulfonyl Enones. Ligand Controlled Diastereoselectivity Reversal","Journal of Organic Chemistry","2010","75","","233","236","10.1021/jo902103z","","","0.71073","MoKα","","0.0512","0.0366","","","0.0733","0.0816","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025141","9.822","0.002","15.05","0.002","18.015","0.003","90","","90","","90","","2663","0.8","292","2","292","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O4 S -","- C32 H30 N2 O4 S -","- C128 H120 N8 O16 S4 -","4","1","","Mercedes Amat; Núria Llor; Begoña Checa; Elies Molins; Joan Bosch","A Synthetic Approach to Ervatamine-Silicine Alkaloids. Enantioselective Total Synthesis of (-)-16-Episilicine","Journal of Organic Chemistry","2010","75","","178","189","10.1021/jo902346j","","x-ray","0.71073","MoKα","","0.1868","0.0489","","","0.104","0.1305","","","","","","0.864","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025142","9.004","0.005","14.264","0.003","20.84","0.006","90","","90","","90","","2676.5","1.8","565","2","565","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O4 S -","- C32 H30 N2 O4 S -","- C128 H120 N8 O16 S4 -","4","1","","Mercedes Amat; Núria Llor; Begoña Checa; Elies Molins; Joan Bosch","A Synthetic Approach to Ervatamine-Silicine Alkaloids. Enantioselective Total Synthesis of (-)-16-Episilicine","Journal of Organic Chemistry","2010","75","","178","189","10.1021/jo902346j","","x-ray","0.71073","MoKα","","0.0948","0.0477","","","0.0833","0.097","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025152","8.7034","0.0003","10.0673","0.0004","23.1719","0.0008","90","","90","","90","","2030.32","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O6 S -","- C21 H24 O6 S -","- C84 H96 O24 S4 -","4","1","","Rahul Bhattacharya; Manoj K. Kesharwani; Chinmoy Manna; Bishwajit Ganguly; Cheravakattu G. Suresh; Tanmaya Pathak","An Experimental and Theoretical Study on the Remarkable Influence of Protecting Groups on the Selectivity of Addition of Amines to Vinyl Sulfone-Modified Hex-2-enopyranosides","Journal of Organic Chemistry","2010","75","","303","314","10.1021/jo902046g","","","0.71073","MoKα","","0.0865","0.0508","","","0.1219","0.1436","","","","","","1.001","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4025157","11.0514","0.0016","13.9951","0.0019","22.484","0.003","90","","90","","90","","3477.5","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C152 H200 N8 O24 -","8","2","","Mercedes Alonso; Roberto Chicharro; Carlos Miranda; Vicente J. Arán; Miguel A. Maestro; Bernardo Herradón","X-ray Diffraction, Solution Structure, and Computational Studies on Derivatives of (3-sec-Butyl-2,3-dihydro-1H-isoquinolin-4-ylidene)acetic Acid: Compounds with Activity as Calpain Inhibitors","Journal of Organic Chemistry","2010","75","","342","352","10.1021/jo902091u","","","0.71073","MoKα","","0.127","0.0615","","","0.13","0.1569","","","","","","1.036","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025158","5.5785","0.0012","14.446","0.003","16.711","0.004","90","","90","","90","","1346.7","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Mercedes Alonso; Roberto Chicharro; Carlos Miranda; Vicente J. Arán; Miguel A. Maestro; Bernardo Herradón","X-ray Diffraction, Solution Structure, and Computational Studies on Derivatives of (3-sec-Butyl-2,3-dihydro-1H-isoquinolin-4-ylidene)acetic Acid: Compounds with Activity as Calpain Inhibitors","Journal of Organic Chemistry","2010","75","","342","352","10.1021/jo902091u","","","0.71073","MoKα","","0.0511","0.0362","","","0.0893","0.1069","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025159","6.0434","0.0006","14.1658","0.0015","16.4204","0.0017","90","","90","","90","","1405.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","","Mercedes Alonso; Roberto Chicharro; Carlos Miranda; Vicente J. Arán; Miguel A. Maestro; Bernardo Herradón","X-ray Diffraction, Solution Structure, and Computational Studies on Derivatives of (3-sec-Butyl-2,3-dihydro-1H-isoquinolin-4-ylidene)acetic Acid: Compounds with Activity as Calpain Inhibitors","Journal of Organic Chemistry","2010","75","","342","352","10.1021/jo902091u","","","0.71073","MoKα","","0.1285","0.0814","","","0.2253","0.2655","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025164","15.706","0.003","12.873","0.002","20.451","0.004","90","","90","","90","","4134.9","1.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H38 N2 O2 -","- C54 H38 N2 O2 -","- C216 H152 N8 O8 -","4","1","","Hiroki Iida; Munenori Shimoyama; Yoshio Furusho; Eiji Yashima","Double-Stranded Supramolecular Assembly through Salt Bridge Formation between Rigid and Flexible Amidine and Carboxylic Acid Strands","Journal of Organic Chemistry","2010","75","","417","423","10.1021/jo902158v","","","0.71073","MoKα","","0.1097","0.0703","","","0.1321","0.1466","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025171","10.8289","0.0009","17.554","0.0019","21.7052","0.0019","90","","90","","90","","4126","0.7","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H55 Br2 N O6 Si3 -","- C30 H55 Br2 N O6 Si3 -","- C120 H220 Br8 N4 O24 Si12 -","4","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","A General and Efficient Synthesis of Pyridin-2-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Amino, and Carbamoyl Groups in Position 6","Journal of Organic Chemistry","2010","75","","442","449","10.1021/jo902313g","","","1.54184","CuKα","","0.0718","0.0481","","0.0757","0.0558","0.0558","","","","","","1.1709","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025172","6.8208","0.0003","9.0452","0.0004","19.7411","0.0009","90","","90","","90","","1217.94","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C48 H72 N8 O16 -","4","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","A General and Efficient Synthesis of Pyridin-2-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Amino, and Carbamoyl Groups in Position 6","Journal of Organic Chemistry","2010","75","","442","449","10.1021/jo902313g","","","1.54184","CuKα","","0.0419","0.0364","","0.0453","0.0419","0.0419","","","","","","1.0933","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025186","5.683","0.002","16.352","0.006","22.299","0.009","90","","90","","90","","2072.2","1.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O4 S -","- C21 H28 N2 O4 S -","- C84 H112 N8 O16 S4 -","4","1","","Motohiro Akazome; Ai Doba; Shoji Matsumoto; Katsuyuki Ogura","Predominant (S)-Enantioselective Inclusion of Aryl Methyl Sulfoxides by (S)-Isoleucyl-(S)-phenylglycines","Journal of Organic Chemistry","2010","75","","660","665","10.1021/jo902197k","","","0.71073","MoKα","","0.0696","0.0464","","","0.092","0.1016","","","","","","1.052","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025187","5.8273","0.001","15.945","0.003","24.097","0.004","90","","90","","90","","2239","0.7","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 N2 O4 S -","- C23 H32 N2 O4 S -","- C92 H128 N8 O16 S4 -","4","1","","Motohiro Akazome; Ai Doba; Shoji Matsumoto; Katsuyuki Ogura","Predominant (S)-Enantioselective Inclusion of Aryl Methyl Sulfoxides by (S)-Isoleucyl-(S)-phenylglycines","Journal of Organic Chemistry","2010","75","","660","665","10.1021/jo902197k","","","0.71073","MoKα","","0.0546","0.0485","","","0.1048","0.1086","","","","","","1.08","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025188","5.3975","0.0005","13.4459","0.0011","29.519","0.003","90","","90","","90","","2142.3","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O4 S -","- C22 H30 N2 O4 S -","- C88 H120 N8 O16 S4 -","4","1","","Motohiro Akazome; Ai Doba; Shoji Matsumoto; Katsuyuki Ogura","Predominant (S)-Enantioselective Inclusion of Aryl Methyl Sulfoxides by (S)-Isoleucyl-(S)-phenylglycines","Journal of Organic Chemistry","2010","75","","660","665","10.1021/jo902197k","","","0.71073","MoKα","","0.0409","0.0339","","","0.0698","0.0733","","","","","","0.981","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025199","7.7954","0.0015","14.349","0.003","17.845","0.004","90","","90","","90","","1996.1","0.7","100","1","100","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 O S -","- C27 H20 O S -","- C108 H80 O4 S4 -","4","1","","Thomas C. Pijper; Dirk Pijper; Michael M. Pollard; Frédéric Dumur; Stephen G. Davey; Auke Meetsma; Ben L. Feringa","An Enantioselective Synthetic Route toward Second-Generation Light-Driven Rotary Molecular Motors","Journal of Organic Chemistry","2010","75","","825","838","10.1021/jo902348u","","","0.71073","MoKα","","0.067","0.0429","","","0.0761","0.0832","","","","","","0.971","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025202","6.109","0.0005","15.4595","0.0013","18.0045","0.0015","90","","90","","90","","1700.4","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H26 N O S Si -","- C13 H26 N O S Si -","- C52 H104 N4 O4 S4 Si4 -","4","1","","Bai-Ling Chen; Bing Wang; Guo-Qiang Lin","Highly Diastereoselective Addition of Alkynylmagnesium Chlorides to N-tert-Butanesulfinyl Aldimines: A Practical and General Access to Chiral α-Branched Amines","Journal of Organic Chemistry","2010","75","","941","944","10.1021/jo902424m","","","0.71073","MoKα","","0.0744","0.0459","","","0.1017","0.1171","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025216","12.7366","0.0006","16.7329","0.0008","20.3046","0.0008","90","","90","","90","","4327.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O3 -","- C23 H33 N O3 -","- C184 H264 N8 O24 -","8","2","","Jeff R. Henderson; Julian P. Chesterman; Masood Parvez; Brian A. Keay","Diastereoselective Diels-Alder Reactions with an Allenyl-Containing Spiro-Amido Chiral Auxiliary","Journal of Organic Chemistry","2010","75","","988","991","10.1021/jo902556b","","","0.71073","MoKα","","0.0784","0.0553","","","0.1299","0.1538","","","","","","1.232","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025226","6.755","0.0001","8.427","0.0002","25.7","0.0004","90","","90","","90","","1462.96","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 Cl N -","- C14 H26 Cl N -","- C56 H104 Cl4 N4 -","4","1","","Juan A. Faraldos; Benson Kariuki; Rudolf K. Allemann","Intermediacy of Eudesmane Cation during Catalysis by Aristolochene Synthase","Journal of Organic Chemistry","2010","75","","1119","1125","10.1021/jo902397v","","","0.71073","MoKα","","0.0496","0.0416","","","0.0971","0.1029","","","","","","1.056","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025237","10.2029","0.0002","10.3818","0.0002","25.7025","0.0004","90","","90","","90","","2722.52","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Br N3 O4 S -","- C29 H30 Br N3 O4 S -","- C116 H120 Br4 N12 O16 S4 -","4","1","","Francis N. Murigi; Gary S. Nichol; Eugene A. Mash","Synthesis of the Conformationally Constrained Tyrosine Analogues, (R)- and (S)-5-Hydroxy-2-aminoindan-2-carboxylic Acids","Journal of Organic Chemistry","2010","75","","1293","1296","10.1021/jo902438s","","","1.54178","CuKα","","0.0463","0.0433","","","0.1011","0.1024","","","","","","1.196","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025257","5.552","0.0011","11.523","0.002","25.423","0.005","90","","90","","90","","1626.5","0.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br N O3 -","- C18 H16 Br N O3 -","- C72 H64 Br4 N4 O12 -","4","1","","Hai Ma; Kun Liu; Fa-Guang Zhang; Chuan-Le Zhu; Jing Nie; Jun-An Ma","Chiral Bifunctional Thiourea-Catalyzed Enantioselective Michael Addition of Ketones to Nitrodienes","Journal of Organic Chemistry","2010","75","","1402","1409","10.1021/jo901991v","","","0.71073","MoKα","","0.0386","0.0305","","","0.0514","0.0537","","","","","","0.971","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025267","3.9292","0.0003","9.9711","0.0008","30.306","0.002","90","","90","","90","","1187.34","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H6 Br N S3 -","- C11 H6 Br N S3 -","- C44 H24 Br4 N4 S12 -","4","1","","Jean-Yves Balandier; Marcos Chas; Paul I. Dron; Sébastien Goeb; David Canevet; Ahmed Belyasmine; Magali Allain; Marc Sallé","N-Aryl Pyrrolo-tetrathiafulvalene Based Ligands: Synthesis and Metal Coordination","Journal of Organic Chemistry","2010","75","","1589","1599","10.1021/jo902529e","","x-ray","0.71073","MoKα","","","0.0361","","","","0.0917","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025269","6.3433","0.0008","12.8094","0.0016","14.2708","0.0018","90","","90","","90","","1159.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O6 -","- C11 H14 N2 O6 -","- C44 H56 N8 O24 -","4","1","","Punit P. Seth; Guillermo Vasquez; Charles A. Allerson; Andres Berdeja; Hans Gaus; Garth A. Kinberger; Thazha P. Prakash; Michael T. Migawa; Balkrishen Bhat; Eric E. Swayze","Synthesis and Biophysical Evaluation of 2',4'-Constrained 2'O-Methoxyethyl and 2',4'-Constrained 2'O-Ethyl Nucleic Acid Analogues","Journal of Organic Chemistry","2010","75","","1569","1581","10.1021/jo902560f","","","0.71073","MoKα","","0.0503","0.0425","","","0.103","0.1078","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025272","6.6244","0.0005","12.7823","0.0009","23.3387","0.0018","90","","90","","90","","1976.2","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","","Violeta Iosub; Anton R. Haberl; Jennifer Leung; Michael Tang; Kannan Vembaiyan; Masood Parvez; Thomas G. Back","Enantioselective Synthesis of α-Quaternary Amino Acid Derivatives by Sequential Enzymatic Desymmetrization and Curtius Rearrangement of α,α-Disubstituted Malonate Diesters","Journal of Organic Chemistry","2010","75","","1612","1619","10.1021/jo902584r","","","1.54178","CuKα","","0.1137","0.077","","","0.2141","0.2543","","","","","","1.024","","","","has coordinates,has disorder","178431","2020-10-21","18:00:00",""
"4025273","11.5059","0.0004","18.5068","0.0006","22.2217","0.0006","90","","90","","90","","4731.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O3 -","- C25 H34 N2 O3 -","- C200 H272 N16 O24 -","8","2","","Violeta Iosub; Anton R. Haberl; Jennifer Leung; Michael Tang; Kannan Vembaiyan; Masood Parvez; Thomas G. Back","Enantioselective Synthesis of α-Quaternary Amino Acid Derivatives by Sequential Enzymatic Desymmetrization and Curtius Rearrangement of α,α-Disubstituted Malonate Diesters","Journal of Organic Chemistry","2010","75","","1612","1619","10.1021/jo902584r","","","1.54178","CuKα","","0.0711","0.0446","","","0.0986","0.1141","","","","","","1.019","","","","has coordinates","178431","2020-10-21","18:00:00",""
"4025283","7.8207","0.0006","8.7546","0.0006","31.827","0.003","90","","90","","90","","2179.1","0.3","93.1","","93.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N3 O7 S -","- C18 H27 N3 O7 S -","- C72 H108 N12 O28 S4 -","4","1","","Tetsuya Tanino; Satoshi Ichikawa; Motoo Shiro; Akira Matsuda","Total Synthesis of (-)-Muraymycin D2 and Its Epimer","Journal of Organic Chemistry","2010","75","","1366","1377","10.1021/jo9027193","","","1.54187","CuKα","","","0.089","","","","0.2192","","","","","","1.378","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025284","4.99559","0.00009","13.2866","0.0002","32.0069","0.0007","90","","90","","90","","2124.44","0.07","93.1","","93.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O7 S -","- C21 H25 N3 O7 S -","- C84 H100 N12 O28 S4 -","4","1","","Tetsuya Tanino; Satoshi Ichikawa; Motoo Shiro; Akira Matsuda","Total Synthesis of (-)-Muraymycin D2 and Its Epimer","Journal of Organic Chemistry","2010","75","","1366","1377","10.1021/jo9027193","","","1.54187","CuKα","","","0.0578","","","","0.1642","","","","","","1.088","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025290","8.3863","0.0005","13.1607","0.0008","14.4654","0.0009","90","","90","","90","","1596.54","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Br2 O2 -","- C18 H12 Br2 O2 -","- C72 H48 Br8 O8 -","4","1","","Hu Cui; Novruz G. Akhmedov; Jeffrey L. Petersen; Kung K. Wang","Synthesis of a Basket-Shaped C56H38 Hydrocarbon as a Precursor toward an End-Cap Template for Carbon [6,6]Nanotubes","Journal of Organic Chemistry","2010","75","","2050","2056","10.1021/jo100132v","","","0.71073","MoKα","","0.0433","0.0351","","","0.0891","0.0938","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025314","9.6625","0.0009","12.8591","0.0012","19.5254","0.0019","90","","90","","90","","2426.1","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3aS,4S,7aS)-4-benzhydryl-octahydro-1-tosylpyrano[4,3-b]pyrrole","","- C27 H29 N O3 S -","- C27 H29 N O3 S -","- C108 H116 N4 O12 S4 -","4","1","","Jillu S. Yadav; Prashant Borkar; P. Pawan Chakravarthy; Basi V. Subba Reddy; Akella V. S. Sarma; Shaik Jeelani Basha; Balasubramanian Sridhar; René Grée","Versatile Intramolecular Aza-Prins and Prins Cyclization of Aryl Epoxides: A Facile Synthesis of Diaza-, Oxa-aza-, and Dioxa-bicycles","Journal of Organic Chemistry","2010","75","","2081","2084","10.1021/jo902683p","","","0.71073","MoKα","","0.0327","0.031","","","0.079","0.0803","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025315","9.61","0.0019","11.493","0.002","12.112","0.002","90","","90","","90","","1337.7","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 Br2 Cl N2 O3 -","- C10 H9 Br2 Cl N2 O3 -","- C40 H36 Br8 Cl4 N8 O12 -","4","1","","Zhan-Guo Chen; Yun Wang; Jun-Fa Wei; Peng-Fei Zhao; Xian-Ying Shi","K3PO4-Catalyzed Regiospecific Aminobromination of β-Nitrostyrene Derivatives with N-Bromoacetamide as Aminobrominating Agent","Journal of Organic Chemistry","2010","75","","2085","2088","10.1021/jo9026879","","","0.71073","MoKα","","0.0623","0.0476","","","0.1069","0.1146","","","","","","1.004","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025336","9.1213","0.0002","9.578","0.0002","20.1152","0.0006","90","","90","","90","","1757.34","0.07","173","","173","2","","","","","","","Local laboratory","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl N2 O S -","- C17 H19 Cl N2 O S -","- C68 H76 Cl4 N8 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0912","0.0566","","","0.1507","0.1896","","","","","","1.086","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025337","10.7047","0.0003","10.7252","0.0002","14.7684","0.0005","90","","90","","90","","1695.56","0.08","188","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 S -","- C18 H21 N O2 S -","- C72 H84 N4 O8 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0697","0.0492","","","0.1258","0.1482","","","","","","1.177","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4025339","7.3755","0.0002","9.4464","0.0002","26.3763","0.0008","90","","90","","90","","1837.69","0.08","258","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O S -","- C19 H24 N2 O S -","- C76 H96 N8 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0841","0.0543","","","0.1436","0.1794","","","","","","1.148","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4025343","9.5514","0.0003","11.4813","0.0003","16.0868","0.0006","90","","90","","90","","1764.12","0.1","223","","223","2","","","","","","","Local laboratory","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl N2 O S -","- C17 H21 Cl N2 O S -","- C68 H84 Cl4 N8 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.126","0.058","","0.369","0.137","0.137","","","2.035","1.785","1.785","1.782","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4025344","9.6281","0.0003","10.0335","0.0003","20.0405","0.0007","90","","90","","90","","1935.98","0.11","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl N2 O S -","- C19 H25 Cl N2 O S -","- C76 H100 Cl4 N8 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0713","0.0509","","","0.1346","0.1657","","","","","","1.186","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025345","9.5631","0.0003","9.6026","0.0003","18.5489","0.0007","90","","90","","90","","1703.36","0.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S -","- C18 H23 N O2 S -","- C72 H92 N4 O8 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0832","0.0522","","","0.123","0.1418","","","","","","0.947","","","","has coordinates,has Fobs","178432","2020-10-21","18:00:00",""
"4025346","9.3092","0.0008","12.0749","0.0011","14.8431","0.0014","90","","90","","90","","1668.5","0.3","158","2","158","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O S -","- C17 H20 Br N O S -","- C68 H80 Br4 N4 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.0247","0.0209","","","0.0505","0.0519","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025347","9.3004","0.0004","13.5899","0.0006","14.7561","0.0007","90","","90","","90","","1865.05","0.15","173","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O S -","- C20 H27 N O S -","- C80 H108 N4 O4 S4 -","4","1","","Marina Martjuga; Dmitry Shabashov; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines by Diastereoselective Reduction of Enantiopure N-tert-Butanesulfinylketimines: Unusual Directing Effects of the ortho-Substituent","Journal of Organic Chemistry","2010","75","","2357","2368","10.1021/jo100173f","","","0.71073","MoKα","","0.1316","0.0684","","","0.1653","0.2138","","","","","","1.063","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4025354","12.3468","0.0014","12.8449","0.0012","16.152","0.002","90","","90","","90","","2561.6","0.5","166","2","166","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 O5 -","- C31 H26 N2 O5 -","- C124 H104 N8 O20 -","4","1","","Marko Weimar; Gerd Dürner; Jan W. Bats; Michael W. Göbel","Enantioselective Synthesis of (+)-Estrone Exploiting a Hydrogen Bond-Promoted Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","2718","2721","10.1021/jo100053j","","","0.71073","MoKα","","0.0474","0.0394","","","0.0965","0.1018","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025362","10.271","0.009","14.061","0.013","20.007","0.018","90","","90","","90","","2889","5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 F14 N4 O4 -","- C28 H18 F14 N4 O4 -","- C112 H72 F56 N16 O16 -","4","1","","Yusuke Kobayashi; Kosuke Katagiri; Isao Azumaya; Takashi Harayama","Trifluoroacetylation-Induced Houben-Hoesch-Type Cyclization of Cyanoacetanilides: Increased Nucleophilicity of CN Groups","Journal of Organic Chemistry","2010","75","","2741","2744","10.1021/jo100220m","","","0.71073","MoKα","","0.032","0.0284","","","0.0712","0.0736","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025363","11.209","0.0005","12.4178","0.0006","31.5636","0.0015","90","","90","","90","","4393.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H49 Cl2 O2 P Pd S -","- C50 H49 Cl2 O2 P Pd S -","- C200 H196 Cl8 O8 P4 Pd4 S4 -","4","1","","Xisco Caldentey; Miquel A. Pericàs","Phosphinite Thioethers Derived from Chiral Epoxides. Modular P,S-Ligands for Pd-Catalyzed Asymmetric Allylic Substitutions","Journal of Organic Chemistry","2010","75","","2628","2644","10.1021/jo100223w","","","0.71073","MoKα","","0.0223","0.0215","","","0.0547","0.055","","","","","","1.105","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4025385","5.0354","0.0014","16.767","0.004","17.907","0.005","90","","90","","90","","1511.9","0.7","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C56 H100 N4 O12 -","4","1","","Stephen Hanessian; Dilip K. Maji; Subramaniyan Govindan; Riccardo Matera; Marina Tintelnot-Blomley","Substrate-Controlled and Organocatalytic Asymmetric Synthesis of Carbocyclic Amino Acid Dipeptide Mimetics","Journal of Organic Chemistry","2010","75","","2861","2876","10.1021/jo100017t","","","1.54178","CuKα","","0.0723","0.0387","","","0.0769","0.0853","","","","","","0.717","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025389","13.3","0.0004","16.5434","0.0005","20.936","0.0008","90","","90","","90","","4606.5","0.3","293","","293","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 N4 O10 Se2 -","- C44 H50 N4 O10 Se2 -","- C176 H200 N16 O40 Se8 -","4","1","","Nasir Baig Rashid Baig; R. N. Chandrakala; V. Sai Sudhir; Srinivasan Chandrasekaran","Synthesis of Unnatural Selenocystines and β-Aminodiselenides via Regioselective Ring-Opening of Sulfamidates Using a Sequential, One-Pot, Multistep Strategy","Journal of Organic Chemistry","2010","75","","2910","2921","10.1021/jo1001388","","x-ray","0.71073","MoKα","","0.1102","0.0336","","","0.0505","0.06","","","","","","0.729","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025398","7.2868","0.0014","9.243","0.0017","11.019","0.002","90","","90","","90","","742.2","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N4 O -","- C6 H10 N4 O -","- C24 H40 N16 O4 -","4","1","","Tal Harel; Shlomo Rozen","The Tetrazole 3-N-Oxide Synthesis","Journal of Organic Chemistry","2010","75","","3141","3143","10.1021/jo100278z","","","0.71073","MoKα","","0.0455","0.0443","","","0.1141","0.1149","","","","","","1.106","","","","has coordinates","178432","2020-10-21","18:00:00",""
"4025401","6.218","0.0002","13.0241","0.0004","18.1587","0.0006","90","","90","","90","","1470.56","0.08","298","2","298","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C80 H56 N8 O4 -","4","1","","Maialen Aginagalde; Yosu Vara; Ana Arrieta; Ronen Zangi; Vicente L. Cebolla; Arantzazu Delgado-Camón; Fernando P. Cossío","Tandem [8 + 2] Cycloaddition-[2 + 6 + 2] Dehydrogenation Reactions Involving Imidazo[1,2-a]pyridines and Imidazo[1,2-a]pyrimidines","Journal of Organic Chemistry","2010","75","","2776","2784","10.1021/jo9022815","","x-ray","0.71073","MoKα","","0.066","0.0479","","","0.1142","0.1212","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025403","5.969","0.0004","10.505","0.0009","18.122","0.0008","90","","90","","90","","1136.33","0.13","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 F O4 -","- C13 H13 F O4 -","- C52 H52 F4 O16 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.0995","0.0882","","0.0792","0.0745","0.0745","","","","","","1.0704","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025405","6.4042","0.0003","9.1961","0.0003","10.046","0.0004","90","","90","","90","","591.65","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F N O2 -","- C6 H8 F N O2 -","- C24 H32 F4 N4 O8 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.0288","0.0265","","0.0328","0.0299","0.0299","","","","","","0.9964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025406","9.3879","0.0003","9.4085","0.0002","6.7494","0.0002","90","","90","","90","","596.15","0.03","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F N O2 -","- C6 H8 F N O2 -","- C24 H32 F4 N4 O8 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.027","0.0246","","0.0295","0.0285","0.0285","","","","","","0.8793","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025407","6.8713","0.0002","9.1449","0.0003","9.5056","0.0003","90","","90","","90","","597.31","0.03","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F N O2 -","- C6 H8 F N O2 -","- C24 H32 F4 N4 O8 -","4","1","","Jindřich Karban; Jan Sýkora; Jiří Kroutil; Ivana Císařová; Zdeňka Padělková; Miloš Buděšínský","Synthesis of All Configurational Isomers of 1,6-Anhydro-2,3,4-trideoxy-2,3-epimino-4-fluoro-β-d-hexopyranoses","Journal of Organic Chemistry","2010","75","","3443","3446","10.1021/jo1000912","","","0.71073","MoKα","","0.028","0.0256","","0.0282","0.0263","0.0263","","","","","","1.0715","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025441","10.162","0.002","11.882","0.003","15.104","0.005","90","","90","","90","","1823.7","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Xiaocong Xie; Zhe Yang; Joseph M. Fox","Stereospecific Synthesis of Alkylidenecyclopropanes via Sequential Cyclopropene Carbomagnesation/1,3-Carbon Shift","Journal of Organic Chemistry","2010","75","","3847","3850","10.1021/jo1002938","","","0.71073","MoKα","","0.1116","0.0496","","","0.0831","0.1002","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025443","5.6096","0.001","13.645","0.002","23.142","0.004","90","","90","","90","","1771.4","0.5","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl_amine","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl amine","","- C14 H21 N O9 -","- C14 H21 N O9 -","- C56 H84 N4 O36 -","4","1","","Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank","Ex Post Glycoconjugation of Phthalocyanines","Journal of Organic Chemistry","2010","75","","3859","3862","10.1021/jo100362n","","","0.71073","MoKα","","0.0749","0.037","","","0.062","0.0712","","","","","","0.727","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025444","7.3136","0.001","14.757","0.002","15.839","0.002","90","","90","","90","","1709.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3,4,6-tetra-<i>O</i>-acteyl-<i>β</i>-D-glucopyranosyl_isocyanate","2,3,4,6-tetra-<i>O</i>-acteyl-<i>β</i>-D-glucopyranosyl isocyanate","","- C15 H19 N O10 -","- C15 H19 N O10 -","- C60 H76 N4 O40 -","4","1","","Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank","Ex Post Glycoconjugation of Phthalocyanines","Journal of Organic Chemistry","2010","75","","3859","3862","10.1021/jo100362n","","","0.71073","MoKα","","0.0809","0.0433","","","0.0848","0.0987","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025445","7.3509","0.0004","14.7643","0.0007","15.9289","0.0008","90","","90","","90","","1728.78","0.15","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl_azide","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl azide","","- C14 H19 N3 O9 -","- C14 H19 N3 O9 -","- C56 H76 N12 O36 -","4","1","","Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank","Ex Post Glycoconjugation of Phthalocyanines","Journal of Organic Chemistry","2010","75","","3859","3862","10.1021/jo100362n","","","0.71073","MoKα","","0.042","0.0387","","","0.0938","0.0953","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025446","8.9267","0.0013","10.1168","0.0014","19.871","0.003","90","","90","","90","","1794.5","0.5","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-galactopyranosyl_azide","2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-galactopyranosyl azide","","- C14 H19 N3 O9 -","- C14 H19 N3 O9 -","- C56 H76 N12 O36 -","4","1","","Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank","Ex Post Glycoconjugation of Phthalocyanines","Journal of Organic Chemistry","2010","75","","3859","3862","10.1021/jo100362n","","","0.71073","MoKα","","0.0578","0.0356","","","0.0613","0.0662","","","","","","0.896","","","","has coordinates","287905","2023-11-30","18:01:52",""
"4025473","9.74","0.0015","9.753","0.0014","31.78","0.004","90","","90","","90","","3018.9","0.7","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Mercedes Amat; Robert Fabregat; Rosa Griera; Pedro Florindo; Elies Molins; Joan Bosch","Biomimetic Construction of the Hydroquinoline Ring System. Diastereodivergent Enantioselective Synthesis of 2,5-Disubstitutedcis-Decahydroquinolines","Journal of Organic Chemistry","2010","75","","3797","3805","10.1021/jo1005894","","x-ray","0.71073","MoKα","","0.0818","0.0587","","","0.1816","0.2201","","","","","","1.079","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025474","7.863","0.006","13.811","0.009","14.249","0.009","90","","90","","90","","1547.4","1.8","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Mercedes Amat; Robert Fabregat; Rosa Griera; Pedro Florindo; Elies Molins; Joan Bosch","Biomimetic Construction of the Hydroquinoline Ring System. Diastereodivergent Enantioselective Synthesis of 2,5-Disubstitutedcis-Decahydroquinolines","Journal of Organic Chemistry","2010","75","","3797","3805","10.1021/jo1005894","","x-ray","0.71073","MoKα","","0.0386","0.0294","","","0.0657","0.0702","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025489","16.1087","0.0002","17.1285","0.0003","24.1506","0.0004","90","","90","","90","","6663.58","0.18","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 N5 O12 S -","- C34 H29 N5 O12 S -","- C272 H232 N40 O96 S8 -","8","2","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Unusual Aryl Migration in a Mesomeric Betaine in the Solid and Liquid State: Mechanistic Insights into the SNAr Reaction","Journal of Organic Chemistry","2010","75","","4300","4303","10.1021/jo100350t","","","0.71073","MoKα","","0.1049","0.067","","","0.1073","0.1219","","","","","","1.114","","","","has coordinates","178433","2020-10-21","18:00:00",""
"4025491","9.34192","0.00018","18.5967","0.0004","19.3112","0.0004","90","","90","","90","","3354.91","0.12","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H51 N O4 -","- C35 H51 N O4 -","- C140 H204 N4 O16 -","4","1","","Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node","One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine","Journal of Organic Chemistry","2010","75","","4201","4211","10.1021/jo1004586","","","1.54187","CuKα","","","0.0498","","","","0.1564","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025492","10.71305","0.00019","10.9563","0.0002","28.0088","0.0005","90","","90","","90","","3287.54","0.1","295.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H51 N O4 -","- C35 H51 N O4 -","- C140 H204 N4 O16 -","4","1","","Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node","One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine","Journal of Organic Chemistry","2010","75","","4201","4211","10.1021/jo1004586","","","1.54187","CuKα","","","0.0598","","","","0.147","","","","","","1.183","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025494","9.6799","0.0002","18.7383","0.0003","22.5187","0.0004","90","","90","","90","","4084.55","0.13","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H63 N O8 -","- C40 H63 N O8 -","- C160 H252 N4 O32 -","4","1","","Minoru Ozeki; Shunsuke Ochi; Noboru Hayama; Shinzo Hosoi; Tetsuya Kajimoto; Manabu Node","One-Pot Construction of Multiple Contiguous Chiral Centers Using Michael Addition of Chiral Amine","Journal of Organic Chemistry","2010","75","","4201","4211","10.1021/jo1004586","","","1.54187","CuKα","","","0.0511","","","","0.1507","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025501","7.521","0.01","9.936","0.012","18.87","0.02","90","","90","","90","","1410","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C64 H80 O12 -","4","1","","Yongquan Sun; Binxun Yu; Xiaolei Wang; Shibing Tang; Xuegong She; Xinfu Pan","Stereoselective Syntheses of Four Diastereomers of 3,9,12-Trihydroxycalamenene via a Benzobicyclo[3.3.1] Intermediate","Journal of Organic Chemistry","2010","75","","4224","4229","10.1021/jo1008349","","","0.71073","MoKα","","0.075","0.0432","","","0.0724","0.079","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025516","7.746","0.003","8.817","0.003","32.078","0.003","90","","90","","90","","2190.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N3 O4 Si -","- C22 H25 N3 O4 Si -","- C88 H100 N12 O16 Si4 -","4","1","","Raudra T. Dey; Tarun K. Sarkar","On the [3 + 2] Annulation of Cyclic Allylsilanes with N-Phenyltriazolinedione: An Enantio- and Diastereoselective Synthesis of cis-1,3-Diaminocyclitols","Journal of Organic Chemistry","2010","75","","4521","4529","10.1021/jo100724w","","","0.71073","MoKα","","0.07","0.0452","","","0.1121","0.1258","","","","","","0.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025523","5.5094","0.0008","8.0322","0.0012","34.254","0.005","90","","90","","90","","1515.8","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O3 S -","- C17 H18 O3 S -","- C68 H72 O12 S4 -","4","1","","Christopher D. Bray; Giorgio de Faveri","Stereocontrolled Synthesis of trans-Cyclopropyl Sulfones from Terminal Epoxides","Journal of Organic Chemistry","2010","75","","4652","4655","10.1021/jo100844g","","","0.71073","MoKα","","0.1181","0.0883","","","0.1719","0.1899","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025524","7.5377","0.0003","11.3446","0.0004","14.749","0.0004","90","","90","","90","","1261.22","0.08","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","","Christopher D. Bray; Giorgio de Faveri","Stereocontrolled Synthesis of trans-Cyclopropyl Sulfones from Terminal Epoxides","Journal of Organic Chemistry","2010","75","","4652","4655","10.1021/jo100844g","","","0.71073","MoKα","","0.0407","0.0366","","","0.0862","0.0881","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025526","10.009","0.004","15.153","0.006","17.54","0.006","90","","90","","90","","2660.2","1.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 N4 O3 -","- C33 H26 N4 O3 -","- C132 H104 N16 O12 -","4","1","","Jean-Charles Marié; Yuan Xiong; Geanna K. Min; Adam R. Yeager; Tohru Taniguchi; Nina Berova; Scott E. Schaus; John A. Porco","Enantioselective Synthesis of 3,4-Chromanediones via Asymmetric Rearrangement of 3-Allyloxyflavones","Journal of Organic Chemistry","2010","75","","4584","4590","10.1021/jo100889c","","","0.71073","MoKα","","0.0567","0.0456","","","0.116","0.1232","","","","","","1.018","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025539","8.869","0.002","12.673","0.003","18.561","0.005","90","","90","","90","","2086.2","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 N3 O5 -","- C17 H31 N3 O5 -","- C68 H124 N12 O20 -","4","1","","Dan Yang; Xiao-Wei Chang; Dan-Wei Zhang; Ze-Feng Jiang; Ke-Sheng Song; Yu-Hui Zhang; Nian-Yong Zhu; Lin-Hong Weng; Min-Qin Chen","Chiral α-Aminoxy Acid/Achiral Cyclopropane α-Aminoxy Acid Unit as a Building Block for Constructing the α N-O Helix","Journal of Organic Chemistry","2010","75","","4796","4805","10.1021/jo100810m","","","0.71073","MoKα","","0.0501","0.0385","","","0.1027","0.11","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025545","6.719","0.002","8.809","0.003","21.195","0.007","90","","90","","90","","1254.5","0.7","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C52 H52 Br4 O12 -","4","1","","Guowei Wang; Jinfeng Zhao; Yuhan Zhou; Baomin Wang; Jingping Qu","Mild and Highly Enantioselective Vinylogous Aldol Reaction of Brassard's Diene with Aromatic Aldehydes by Combined Lewis Acid Catalyst","Journal of Organic Chemistry","2010","75","","5326","5329","10.1021/jo100674f","","","0.71073","MoKα","","0.0346","0.0249","","","0.0545","0.057","","","","","","0.986","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025550","7.8308","0.0015","11.013","0.002","25.536","0.005","90","","90","","90","","2202.2","0.7","228","2","228","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N4 O4 -","- C20 H28 N4 O4 -","- C80 H112 N16 O16 -","4","1","","Sujeewa Ranatunga; Wathsala Liyanage; Juan R. Del Valle","Synthesis and Conformational Analysis of Bicyclic Extended Dipeptide Surrogates","Journal of Organic Chemistry","2010","75","","5113","5125","10.1021/jo1008433","","","0.71073","MoKα","","0.0743","0.0557","","","0.1539","0.1769","","","","","","1.043","","","","has coordinates","178434","2020-10-21","18:00:00",""
"4025555","6.08","0.002","11.792","0.005","15.073","0.006","90","","90","","90","","1080.7","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 F N2 O -","- C11 H17 F N2 O -","- C44 H68 F4 N8 O4 -","4","1","","Alexander D. Dilman; Pavel A. Belyakov; Marina I. Struchkova; Dmitry E. Arkhipov; Alexander A. Korlyukov; Vladimir A. Tartakovsky","Fluorocyanation of Enamines","Journal of Organic Chemistry","2010","75","","5367","5370","10.1021/jo1008993","","","0.71073","MoKα","","0.0532","0.0443","","","0.0867","0.0892","","","","","","1.008","","","","has coordinates,has disorder","178434","2020-10-21","18:00:00",""
"4025559","11.2466","0.0008","11.9082","0.0009","14.2975","0.001","90","","90","","90","","1914.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N3 O4 S -","- C19 H25 N3 O4 S -","- C76 H100 N12 O16 S4 -","4","1","","Hua Yang; Rich G. Carter","Development of an Enantioselective Route toward the Lycopodium Alkaloids: Total Synthesis of Lycopodine","Journal of Organic Chemistry","2010","75","","4929","4938","10.1021/jo100916x","","","0.71073","MoKα","","0.0424","0.0356","","","0.0816","0.0861","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025562","9.3648","0.001","10.0518","0.0011","18.751","0.002","90","","90","","90","","1765.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Hua Yang; Rich G. Carter","Development of an Enantioselective Route toward the Lycopodium Alkaloids: Total Synthesis of Lycopodine","Journal of Organic Chemistry","2010","75","","4929","4938","10.1021/jo100916x","","","0.71073","MoKα","","0.0618","0.0436","","","0.0799","0.0876","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025563","21.383","0.003","11.0697","0.0017","19.56","0.003","90","","90","","90","","4629.9","1.2","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-Leu-Leu-Aib-D-Leu-D-Leu-Aib-OMe","","- C38 H70 N6 O9 -","- C38 H70 N6 O9 -","- C152 H280 N24 O36 -","4","1","","Yosuke Demizu; Mitsunobu Doi; Yukiko Sato; Masakazu Tanaka; Haruhiro Okuda; Masaaki Kurihara","Three-Dimensional Structural Control of Diastereomeric Leu-Leu-Aib-Leu-Leu-Aib Sequences in the Solid State","Journal of Organic Chemistry","2010","75","","5234","5239","10.1021/jo100965r","","","0.71073","MoKα","","0.0606","0.0527","","","0.1488","0.1562","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025575","5.9928","0.0002","12.2646","0.0005","33.1829","0.0014","90","","90","","90","","2438.92","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-[(20S)-17α,20-Epoxy-3β-(methoxymethoxy)pregn-5-en-16β-yl] dimethylthiocarbamate","","- C26 H41 N O4 S -","- C26 H41 N O4 S -","- C104 H164 N4 O16 S4 -","4","1","","Przemysław Kalicki; Michał Karchier; Karol Michalak; Jerzy Wicha","Rearrangement of 2,3-Epoxy Alcohol Dimethylthiocarbamate Derivatives. Synthesis of 2,3-Epithio Alcohol Derivatives under Mild Conditions","Journal of Organic Chemistry","2010","75","","5388","5391","10.1021/jo101000u","","","1.54178","CuKα","","0.049","0.0436","","","0.1049","0.1079","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025576","6.254","0.0003","10.8365","0.0006","35.4475","0.0019","90","","90","","90","","2402.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H Br2 O5 -","- C25 H26 Br2 O5 -","- C100 H104 Br8 O20 -","4","1","","Xiaolei Wang; Jie Zheng; Qiang Chen; Huaiji Zheng; Yongping He; Juan Yang; Xuegong She","Biomimetic Total Synthesis of (+)-Chabranol","Journal of Organic Chemistry","2010","75","","5392","5394","10.1021/jo101016g","","","0.71073","MoKα","","0.1198","0.0441","","","0.0996","0.1372","","","","","","0.823","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025592","6.149","0.003","9.052","0.003","30.88","0.02","90","","90","","90","","1718.8","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S,5S,2E)-1-Cyclohexyl-7-phenylhept-2-ene-1,5-diol","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Enrique Fernández; Jörg Pietruszka; Wolfgang Frey","Palladium-Catalyzed Synthesis of Enantiomerically Pure α-Substituted Allylboronic Esters and Their Addition to Aldehydes","Journal of Organic Chemistry","2010","75","","5580","5589","10.1021/jo1008959","","","1.54178","CuKα","","0.1678","0.0928","","","0.2004","0.2463","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025593","9.958","0.002","17.593","0.004","18.858","0.004","90","","90","","90","","3303.8","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(3S,4S,4'R,5'R)-4-[4',5'-Bis(methoxydiphenylmethyl)-1',3',2'-dioxaborolan-2'-yl]-2-methylhex-5-en-3-ol","","","- C37 H41 B O5 -","- C37 H41 B O5 -","- C148 H164 B4 O20 -","4","1","","Enrique Fernández; Jörg Pietruszka; Wolfgang Frey","Palladium-Catalyzed Synthesis of Enantiomerically Pure α-Substituted Allylboronic Esters and Their Addition to Aldehydes","Journal of Organic Chemistry","2010","75","","5580","5589","10.1021/jo1008959","","","0.71073","MoKα","","0.0824","0.0552","","","0.1161","0.1268","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025609","8.2332","0.0003","11.5989","0.0004","23.8708","0.0009","90","","90","","90","","2279.57","0.14","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O2 Si -","- C23 H33 N O2 Si -","- C92 H132 N4 O8 Si4 -","4","1","","Thérèse Hémery; Robert Huenerbein; Roland Fröhlich; Stefan Grimme; Dieter Hoppe","Configurationally Labile Enantioenriched Lithiated 3-Arylprop-2-enyl Carbamates: Joint Experimental and Quantum Chemical Investigations on the Equilibrium of Epimers","Journal of Organic Chemistry","2010","75","","5716","5720","10.1021/jo101218z","","","1.54178","CuKα","","0.0398","0.0385","","","0.1024","0.1041","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025633","7.3503","0.0015","11.878","0.002","33.132","0.007","90","","90","","90","","2892.7","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br2 N4 O5 -","- C27 H22 Br2 N4 O5 -","- C108 H88 Br8 N16 O20 -","4","1","","Carrie E. Aroyan; Alpay Dermenci; Scott J. Miller","Development of a Cysteine-Catalyzed Enantioselective Rauhut-Currier Reaction","Journal of Organic Chemistry","2010","75","","5784","5796","10.1021/jo101018t","","","0.71073","MoKα","","0.0891","0.0521","","","0.1252","0.1417","","","","","","1.008","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025643","5.5989","0.0002","8.4736","0.0003","34.6488","0.0013","90","","90","","90","","1643.84","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih","Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols","Journal of Organic Chemistry","2010","75","","6031","6034","10.1021/jo101148e","","","0.71073","MoKα","","0.1649","0.0558","","","0.1463","0.2008","","","","","","0.909","","","","has coordinates,has disorder","178435","2020-10-21","18:00:00",""
"4025644","6.85647","0.00012","14.9418","0.0003","31.6799","0.0007","90","","90","","90","","3245.54","0.11","93.1","","93.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 N2 O9 S -","- C35 H40 N2 O9 S -","- C140 H160 N8 O36 S4 -","4","1","","Naoyuki Shimada; Taiki Hanari; Yasunobu Kurosaki; Koji Takeda; Masahiro Anada; Hisanori Nambu; Motoo Shiro; Shunichi Hashimoto","Catalytic Asymmetric Synthesis of theendo-6-Aryl-8-oxabicyclo[3.2.1]oct-3-en-2-one Natural Product fromLigusticum chuanxingvia 1,3-Dipolar Cycloaddition of a Formyl-Derived Carbonyl Ylide Using Rh2(S-TCPTTL)4","Journal of Organic Chemistry","2010","75","","6039","6042","10.1021/jo101175b","","","1.54187","CuKα","","","0.0353","","","","0.0959","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025658","10.5601","0.0006","13.1228","0.0007","13.8186","0.0008","90","","90","","90","","1914.96","0.19","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O -","- C22 H26 N2 O -","- C88 H104 N8 O4 -","4","1","","Nitin T. Patil; Anil Kumar Mutyala; Pediredla G. V. V. Lakshmi; Balakrishna Gajula; Balasubramanian Sridhar; Gurava Reddy Pottireddygari; Tadikamalla Prabhakar Rao","Au(I)-Catalyzed Cascade Reaction Involving Formal Double Hydroamination of Alkynes Bearing Tethered Carboxylic Groups: An Easy Access to Fused Dihydrobenzimidazoles and Tetrahydroquinazolines","Journal of Organic Chemistry","2010","75","","5963","5975","10.1021/jo1013228","","","0.71073","MoKα","","0.0444","0.0407","","","0.1163","0.1206","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025663","8.8513","0.0003","11.3404","0.0003","14.4414","0.0005","90","","90","","90","","1449.59","0.08","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0344","","","","0.0752","","","","","","0.862","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025664","8.85223","0.00016","11.3388","0.0002","14.4403","0.0003","90","","90","","90","","1449.43","0.05","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0381","","","","0.1091","","","","","","0.966","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025665","8.62372","0.00016","11.6285","0.0002","14.8609","0.0003","90","","90","","90","","1490.26","0.05","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Hidetsugu Tabata; Hiroyuki Suzuki; Kumi Akiba; Hideyo Takahashi; Hideaki Natsugari","Atropisomeric Properties of 7-, 8-, and 9-Membered-Ring Dibenzolactams: Conformation, Thermal Stability, and Chemical Reactivity","Journal of Organic Chemistry","2010","75","","5984","5993","10.1021/jo1013383","","","1.54187","CuKα","","","0.0429","","","","0.0992","","","","","","0.994","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025674","7.687","0.005","10.97","0.002","19.972","0.004","90","","90","","90","","1684.2","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Manas K. Ghorai; Deo Prakash Tiwari","Lewis Acid Catalyzed Highly Stereoselective Domino-Ring-Opening Cyclization of Activated Aziridines with Enolates: Synthesis of Functionalized Chiral γ-Lactams","Journal of Organic Chemistry","2010","75","","6173","6181","10.1021/jo101004x","","","0.71073","MoKα","","0.0857","0.0613","","","0.1507","0.1856","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025680","5.6623","0.0006","10.0775","0.0009","16.324","0.002","90","","90","","90","","931.48","0.17","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 S3 -","- C9 H8 S3 -","- C36 H32 S12 -","4","1","","William Clegg; Ross W. Harrington; Michael North; Pedro Villuendas","A Bimetallic Aluminum(salen) Complex for the Synthesis of 1,3-Oxathiolane-2-thiones and 1,3-Dithiolane-2-thiones","Journal of Organic Chemistry","2010","75","","6201","6207","10.1021/jo101121h","","","0.71073","MoKα","","0.0986","0.071","","","0.1807","0.1886","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025690","5.746","0.0018","11.149","0.004","11.329","0.004","90","","90","","90","","725.8","0.4","293","2","293","2","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","1-deoxy-5-thio-D-glucopyrano-3,6-lactone","","- C6 H8 O4 S -","- C6 H8 O4 S -","- C24 H32 O16 S4 -","4","1","","Thanikachalam Gunasundari; Srinivasan Chandrasekaran","Enantioselective and Protecting Group-Free Synthesis of 1-Deoxythionojirimycin, 1-Deoxythiomannojirimycin, and 1-Deoxythiotalonojirimycin","Journal of Organic Chemistry","2010","75","","6685","6688","10.1021/jo1010125","","x-ray","0.71073","MoKα","","0.0748","0.0621","","","0.1907","0.2232","","","","","","1.221","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025697","8.9219","0.0005","13.8729","0.0008","15.1814","0.0009","90","","90","","90","","1879.04","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H34 Cl P Pd -","- C16 H34 Cl P Pd -","- C64 H136 Cl4 P4 Pd4 -","4","1","","Lensey L. Hill; Jason L. Crowell; Strudwick L. Tutwiler; Nicholas L. Massie; C. Corey Hines; Scott T. Griffin; Robin D. Rogers; Kevin H. Shaughnessy; Gabriela A. Grasa; Carin C. C. Johansson Seechurn; Hongbo Li; Thomas J. Colacot; Joe Chou; Christopher J. Woltermann","Synthesis and X-ray Structure Determination of Highly Active Pd(II), Pd(I), and Pd(0) Complexes of Di(tert-butyl)neopentylphosphine (DTBNpP) in the Arylation of Amines and Ketones","Journal of Organic Chemistry","2010","75","","6477","6488","10.1021/jo101187q","","","0.71073","MoKα","","0.0307","0.0242","","","0.0434","0.0449","","","","","","1.02","","","","has coordinates","178435","2020-10-21","18:00:00",""
"4025703","5.68","0.003","8.405","0.005","21.474","0.012","90","","90","","90","","1025.2","1","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","","Rachel L. Beingessner; Julie A. Farand; Louis Barriault","Progress toward the Total Synthesis of (\±)-Havellockate","Journal of Organic Chemistry","2010","75","","6337","6346","10.1021/jo101279z","","","0.71073","MoKα","","0.0287","0.0281","","","0.0808","0.0813","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025714","9.16","0.0002","9.4906","0.0002","25.9204","0.0007","90","","90","","90","","2253.36","0.09","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O3 -","- C27 H27 N O3 -","- C108 H108 N4 O12 -","4","1","","Devendra J. Vyas; Roland Fröhlich; Martin Oestreich","Stereochemical Surprises in the Lewis Acid-Mediated Allylation of Isatins","Journal of Organic Chemistry","2010","75","","6720","6723","10.1021/jo101420e","","","1.54178","CuKα","","0.0514","0.0429","","","0.1007","0.1079","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025715","9.3817","0.0002","10.3573","0.0004","21.6593","0.0012","90","","90","","90","","2104.61","0.15","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F N O2 -","- C26 H24 F N O2 -","- C104 H96 F4 N4 O8 -","4","1","","Devendra J. Vyas; Roland Fröhlich; Martin Oestreich","Stereochemical Surprises in the Lewis Acid-Mediated Allylation of Isatins","Journal of Organic Chemistry","2010","75","","6720","6723","10.1021/jo101420e","","","1.54178","CuKα","","0.0416","0.0381","","","0.0935","0.0963","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025725","6.8199","0.0014","17.902","0.004","20.555","0.004","90","","90","","90","","2509.6","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N O5 -","- C29 H24 Cl N O5 -","- C116 H96 Cl4 N4 O20 -","4","1","","Hui Lv; Xiang-Yu Chen; Li-hui Sun; Song Ye","Enantioselective Synthesis of Indole-Fused Dihydropyranones via Catalytic Cycloaddition of Ketenes and 3-Alkylenyloxindoles","Journal of Organic Chemistry","2010","75","","6973","6976","10.1021/jo101318u","","","1.54186","CuKα","","0.1248","0.0976","","","0.138","0.1492","","","","","","1.252","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025740","7.793","0.002","13.87","0.003","16.681","0.005","90","","90","","90","","1803","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Daniel J. Kerr; Jonathan M. White; Bernard L. Flynn","A Reductive-Coupling plus Nazarov Cyclization Sequence in the Asymmetric Synthesis of Five-Membered Carbocycles","Journal of Organic Chemistry","2010","75","","7073","7084","10.1021/jo100736p","","","1.5418","CuKα","","0.0548","0.0467","","","0.116","0.1238","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025760","5.5473","0.0002","18.097","0.0009","18.1136","0.001","90","","90","","90","","1818.42","0.15","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Maialen Aginagalde; Tamara Bello; Carme Masdeu; Yosu Vara; Ana Arrieta; Fernando P. Cossío","Formation of γ-Oxoacids and 1H-Pyrrol-2(5H)-ones from α,β-Unsaturated Ketones and Ethyl Nitroacetate","Journal of Organic Chemistry","2010","75","","7435","7438","10.1021/jo101388x","","x-ray","0.71073","MoKα","","0.0517","0.0317","","","0.0469","0.049","","","","","","0.76","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025773","7.9184","0.0001","18.5725","0.0002","20.6359","0.0003","90","","90","","90","","3034.81","0.07","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2S,3S,alphaS-tert-butyl-3-(benzyl(1-phenylethyl)amino)- 5-(tert-butyldimethylsilyloxy)-2-fluoropentanoate","","- C30 H46 F N O3 Si -","- C30 H46 F N O3 Si -","- C120 H184 F4 N4 O12 Si4 -","4","1","","Peter J. Duggan; Martin Johnston; Taryn L. March","Enantioselective Synthesis of α-Fluoro-β3-amino Esters: Synthesis of Enantiopure, Orthogonally Protected α-Fluoro-β3-lysine","Journal of Organic Chemistry","2010","75","","7365","7372","10.1021/jo101600c","","","1.54184","CuKα","","0.0344","0.0326","","","0.0843","0.0868","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025777","7.801","0.005","12.547","0.006","25.089","0.003","90","","90","","90","","2456","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O7 S -","- C27 H26 N2 O7 S -","- C108 H104 N8 O28 S4 -","4","1","","Manas K. Ghorai; Sandipan Halder; Raj Kumar Das","Domino Imino-Aldol-Aza-Michael Reaction: One-Pot Diastereo- and Enantioselective Synthesis of Piperidines","Journal of Organic Chemistry","2010","75","","7061","7072","10.1021/jo101680f","","","0.71069","MoKα","","0.0824","0.0529","","","0.1222","0.1759","","","","","","1.157","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025796","8.887","0.0001","15.7792","0.0002","30.4344","0.0003","90","","90","","90","","4267.81","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N4 O4 -","- C23 H18 N4 O4 -","- C184 H144 N32 O32 -","8","2","","Mathias Schelwies; Andreas Farwick; Frank Rominger; Günter Helmchen","Platinum(II) Chloride-Catalyzed Stereoselective Domino Enyne Isomerization/Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","7917","7919","10.1021/jo1014068","","","0.71073","MoKα","","0.11","0.0587","","","0.1034","0.1229","","","","","","1.073","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025797","6.6102","0.0001","13.5015","0.0001","30.8313","0.0001","90","","90","","90","","2751.62","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 N2 O4 S Si -","- C27 H32 N2 O4 S Si -","- C108 H128 N8 O16 S4 Si4 -","4","1","","Mathias Schelwies; Andreas Farwick; Frank Rominger; Günter Helmchen","Platinum(II) Chloride-Catalyzed Stereoselective Domino Enyne Isomerization/Diels-Alder Reaction","Journal of Organic Chemistry","2010","75","","7917","7919","10.1021/jo1014068","","","0.71073","MoKα","","0.0637","0.0437","","","0.0887","0.0973","","","","","","1.061","","","","has coordinates,has disorder","178436","2020-10-21","18:00:00",""
"4025798","8.863","0.005","9.876","0.005","20.426","0.013","90","","90","","90","","1787.9","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 F N O5 S2 -","- C14 H22 F N O5 S2 -","- C56 H88 F4 N4 O20 S8 -","4","1","","Emmanuelle Drège; Anaïs Guillaume; Nadjia Boukhedimi; Jérôme Marrot; Claire Troufflard; Marie-Elise Tran Huu-Dau; Delphine Joseph; Sandrine Delarue-Cochin","A Facile and Stereocontrolled Synthesis of γ-Substituted γ-Fluoroglutamates by Conjugate Addition: Conflicting Effect between Fluorinated Enaminoester and Hinderered Michael Acceptor","Journal of Organic Chemistry","2010","75","","7596","7604","10.1021/jo101417c","","","0.71073","MoKα","","0.0246","0.0243","","","0.0652","0.0654","","","","","","1.125","","","","has coordinates","178436","2020-10-21","18:00:00",""
"4025801","5.5521","0.0002","9.2327","0.0003","44.9351","0.0014","90","","90","","90","","2303.41","0.13","193","2","193","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 N O -","- C25 H41 N O -","- C100 H164 N4 O4 -","4","1","","Arnaud Rives; Sonia Ladeira; Thierry Levade; Nathalie Andrieu-Abadie; Yves Génisson","Synthesis of Cytotoxic Aza Analogues of Jaspine B","Journal of Organic Chemistry","2010","75","","7920","7923","10.1021/jo1014239","","x-ray","0.71073","MoKα","","0.0669","0.0457","","","0.0922","0.1022","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025803","6.644","0.0005","7.6383","0.0005","21.5272","0.0015","90","","90","","90","","1092.48","0.13","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C44 H52 N20 O4 -","4","1","","Hisao Saneyoshi; Jeffrey R. Deschamps; Victor E. Marquez","Synthesis of Conformationally Locked l-Deoxythreosyl Phosphonate Nucleosides Built on a Bicyclo[3.1.0]hexane Template","Journal of Organic Chemistry","2010","75","","7659","7669","10.1021/jo101475p","","","0.71073","MoKα","","0.0354","0.0333","","","0.0879","0.0895","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025817","9.0258","0.0018","9.687","0.002","17.717","0.005","90","","90","","90","","1549","0.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Zhengren Xu; Weimin Hu; Qiang Liu; Lihe Zhang; Yanxing Jia","Total Synthesis of Clavicipitic Acid and Aurantioclavine: Stereochemistry of Clavicipitic Acid Revisited","Journal of Organic Chemistry","2010","75","","7626","7635","10.1021/jo101506c","","","0.71073","MoKα","","0.0701","0.0464","","","0.0896","0.108","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025820","7.9362","0.0004","12.0141","0.0006","12.061","0.0006","90","","90","","90","","1149.97","0.1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl O P -","- C10 H14 Cl O P -","- C40 H56 Cl4 O4 P4 -","4","1","","Yongbo Zhou; Gang Wang; Yuta Saga; Ruwei Shen; Midori Goto; Yufen Zhao; Li-Biao Han","Stereospecific Halogenation of P(O)-H Bonds with Copper(II) Chloride Affording Optically Active Z1Z2P(O)Cl","Journal of Organic Chemistry","2010","75","","7924","7927","10.1021/jo101540d","","","0.71073","MoKα","","0.0265","0.0251","","","0.0744","0.0765","","","","","","0.868","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025828","9.9567","0.0003","15.2992","0.0005","16.3935","0.0005","90","","90","","90","","2497.21","0.13","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C120 H152 N8 O8 -","4","1","","Ryan A. Altman; Bradley L. Nilsson; Larry E. Overman; Javier Read de Alaniz; Jason M. Rohde; Veronique Taupin","Total Synthesis of (+)-Nankakurines A and B and (\±)-5-epi-Nankakurine A","Journal of Organic Chemistry","2010","75","","7519","7534","10.1021/jo101619d","","","0.71073","MoKα","","0.0333","0.032","","","0.0851","0.0868","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025837","12.7197","0.0007","14.9537","0.0008","19.9989","0.0011","90","","90","","90","","3803.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C200 H152 N8 O24 -","8","2","","Lei Wang; Yu-Cheng Huang; Yang Liu; Hoong-Kun Fun; Yan Zhang; Jian-Hua Xu","Photoinduced [4 + 4], [4 + 2], and [2 + 2] Cycloadditions of o-Quinones with Oxazoles: Chemo-, Regio-, and Diastereoselectivity","Journal of Organic Chemistry","2010","75","","7757","7768","10.1021/jo101764f","","","0.71073","MoKα","","0.094","0.0606","","","0.1156","0.1282","","","","","","1.09","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025840","16.0304","0.0016","16.9814","0.0017","22.096","0.002","90","","90","","90","","6014.9","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H83 N9 O12 S2 -","- C56 H77 N9 O12 S2 -","- C224 H308 N36 O48 S8 -","4","1","","Jason C. Kwan; Ranjala Ratnayake; Khalil A. Abboud; Valerie J. Paul; Hendrik Luesch","Grassypeptolides A-C, Cytotoxic Bis-thiazoline Containing Marine Cyclodepsipeptides","Journal of Organic Chemistry","2010","75","","8012","8023","10.1021/jo1013564","","","0.71073","MoKα","","0.1972","0.0571","","","0.0884","0.1156","","","","","","0.802","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025847","5.6029","0.0001","8.2626","0.0002","30.1557","0.0008","90","","90","","90","","1396.04","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N -","- C18 H19 N -","- C72 H76 N4 -","4","1","","Sharan K. Bagal; Stephen G. Davies; James A. Lee; Paul M. Roberts; Philip M. Scott; James E. Thomson","Syntheses of the Enantiomers of 1-Deoxynojirimycin and 1-Deoxyaltronojirimycin via Chemo- and Diastereoselective Olefinic Oxidation of Unsaturated Amines","Journal of Organic Chemistry","2010","75","","8133","8146","10.1021/jo101756g","","","0.71073","MoKα","","0.0473","0.038","","0.0885","0.0839","0.0885","","","","","","0.9929","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025848","7.1891","0.0002","7.212","0.0002","27.09","0.0009","90","","90","","90","","1404.56","0.07","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N -","- C18 H19 N -","- C72 H76 N4 -","4","1","","Sharan K. Bagal; Stephen G. Davies; James A. Lee; Paul M. Roberts; Philip M. Scott; James E. Thomson","Syntheses of the Enantiomers of 1-Deoxynojirimycin and 1-Deoxyaltronojirimycin via Chemo- and Diastereoselective Olefinic Oxidation of Unsaturated Amines","Journal of Organic Chemistry","2010","75","","8133","8146","10.1021/jo101756g","","","0.71073","MoKα","","0.0837","0.0508","","0.1182","0.1069","0.1182","","","","","","0.9305","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025851","8.1254","0.0011","13.4757","0.0018","21.652","0.003","90","","90","","90","","2370.8","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O2 Si -","- C26 H31 N O2 Si -","- C104 H124 N4 O8 Si4 -","4","1","","Christopher S. Junker; Mark E. Welker; Cynthia S. Day","Synthesis of 4-Aryl- and 4-Alkyl-2-silyl-1,3-butadienes and Their Diels-Alder/Cross-Coupling Reactions","Journal of Organic Chemistry","2010","75","","8155","8165","10.1021/jo1017734","","","0.71073","MoKα","","0.0584","0.0471","","","0.1131","0.1217","","","","","","1.039","","","","has coordinates,has disorder","178437","2020-10-21","18:00:00",""
"4025852","7.1897","0.0009","10.0648","0.0012","29.034","0.004","90","","90","","90","","2101","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O3 Si -","- C24 H26 O3 Si -","- C96 H104 O12 Si4 -","4","1","","Christopher S. Junker; Mark E. Welker; Cynthia S. Day","Synthesis of 4-Aryl- and 4-Alkyl-2-silyl-1,3-butadienes and Their Diels-Alder/Cross-Coupling Reactions","Journal of Organic Chemistry","2010","75","","8155","8165","10.1021/jo1017734","","","0.71073","MoKα","","0.0659","0.0571","","","0.1261","0.1298","","","","","","1.134","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025854","9.2184","0.0018","12.314","0.003","18.222","0.004","90","","90","","90","","2068.5","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl2 N5 O -","- C20 H17 Cl2 N5 O -","- C80 H68 Cl8 N20 O4 -","4","1","","Jinbao Xiang; Tong Zhu; Qun Dang; Xu Bai","Stereochemistry as a Tool in Deciphering the Processes of a Tandem Iminium Cyclization and Smiles Rearrangement","Journal of Organic Chemistry","2010","75","","8147","8154","10.1021/jo101798p","","","0.71073","MoKα","","0.0709","0.0603","","","0.1775","0.2051","","","","","","0.861","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025857","4.7205","0.0003","11.9607","0.0007","24.1144","0.0012","90","","90","","90","","1361.51","0.14","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl 2,7-difluoro-2-(5-oxo-5H-chromeno[2,3-b]pyridin-2-yl)acetate","","- C16 H11 F2 N O4 -","- C16 H11 F2 N O4 -","- C64 H44 F8 N4 O16 -","4","1","","Muhammad Farooq Ibad; Obaid-Ur-Rahman Abid; Muhammad Adeel; Muhammad Nawaz; Verena Wolf; Alexander Villinger; Peter Langer","Synthesis of Highly Functionalized Biaryls by Condensation of 2-Fluoro-1,3-bis(silyloxy) 1,3-Dienes with 3-Cyanochromones and Subsequent Domino ""Retro-Michael/Aldol/Fragmentation""","Journal of Organic Chemistry","2010","75","","8315","8318","10.1021/jo1018443","","","0.71073","MoKα","","0.1035","0.0654","","","0.1044","0.1132","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025861","10.24","0.001","21.3709","0.0014","16.9596","0.0011","90","","90","","90","","3711.4","0.5","150","","150","","","","101","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,18-Dinitro-25,26,27,28-tetrapropoxythiacalix[4]arene 1,3-alternate","","- C36 H38 N2 O8 S4 -","- C36 H38 N2 O8 S4 -","- C144 H152 N8 O32 S16 -","4","1","","Ondrej Kundrat; Jan Kroupa; Stanislav Böhm; Jan Budka; Vaclav Eigner; Pavel Lhotak","Meta Nitration of Thiacalixarenes","Journal of Organic Chemistry","2010","75","","8372","8375","10.1021/jo1013492","","","1.5418","CuKα","","0.0946","0.0896","","0.2361","0.23","0.2361","","","","","","0.9463","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4025869","11.9009","0.0019","21.48","0.003","29.011","0.005","90","","90","","90","","7416","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C320 H480 O64 -","16","4","","Maliha Uroos; William Lewis; Alexander J. Blake; Christopher J. Hayes","Total Synthesis of (+)-Cymbodiacetal: A Re-evaluation of the Biomimetic Route","Journal of Organic Chemistry","2010","75","","8465","8470","10.1021/jo101691n","","","0.71073","MoKα","","0.0924","0.0884","","","0.176","0.178","","","","","","1.28","","","","has coordinates","178437","2020-10-21","18:00:00",""
"4025882","6.2963","0.0009","14.3075","0.0019","21.551","0.003","90","","90","","90","","1941.4","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 Br N O4 -","- C24 H16 Br N O4 -","- C96 H64 Br4 N4 O16 -","4","1","","Xin Li; Shenshen Hu; Zhiguo Xi; Long Zhang; Sanzhong Luo; Jin-Pei Cheng","Chiral Amine Thiourea-Promoted Enantioselective Michael Addition Reactions of 3-Substituted Benzofuran-2(3H)-ones to Maleimides","Journal of Organic Chemistry","2010","75","","8697","8700","10.1021/jo101832e","","","0.71073","MoKα","","0.0369","0.0344","","","0.0685","0.0696","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025905","6.5771","0.0002","7.3843","0.0002","32.659","0.0008","90","","90","","90","","1586.16","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N O4 -","- C16 H16 Cl N O4 -","- C64 H64 Cl4 N4 O16 -","4","1","","Li-Ping Fan; Ping Li; Xin-Sheng Li; Dong-Cheng Xu; Meng-Meng Ge; Wei-Dong Zhu; Jian-Wu Xie","Facile Domino Access to Chiral Mono-, Bi-, and Tricyclic 2,3-Dihydrofurans","Journal of Organic Chemistry","2010","75","","8716","8719","10.1021/jo101935k","","","0.71073","MoKα","","","0.0399","","","0.1034","0.1104","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025944","5.6153","0.0008","16.599","0.002","18.194","0.002","90","","90","","90","","1695.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C76 H60 Br4 O16 -","4","1","","Ying Cheng; Jing An; Liang-Qiu Lu; Lan Luo; Zheng-Yi Wang; Jia-Rong Chen; Wen-Jing Xiao","Asymmetric Cyclopropanation of β,γ-Unsaturated α-Ketoesters with Stabilized Sulfur Ylides Catalyzed by C2-Symmetric Ureas","Journal of Organic Chemistry","2011","76","","281","284","10.1021/jo101699r","","","0.71073","MoKα","","0.0707","0.044","","","0.0993","0.1087","","","","","","1.01","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025945","7.594","0.003","9.67","0.003","27.818","0.008","90","","90","","90","","2042.8","1.2","150","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Acharya, Amitabha; Ramanujam, Balaji; Chinta, Jugun Prakash; Rao, Chebrolu P.","1,3-Diamido-calix[4]arene Conjugates of Amino Acids: Recognition of ‒COOH Side Chain Present in Amino Acids, Peptides, and Proteins by Experimental and Computational Studies","The Journal of Organic Chemistry","2011","76","1","127","137","10.1021/jo101759f","","","0.71073","MoKα","","0.1472","0.0448","","","0.0875","0.1033","","","","","","0.727","","","","has coordinates","219285","2020-10-21","18:00:00",""
"4025983","5.2982","0.0003","10.8741","0.0006","26.5635","0.0019","90","","90","","90","","1530.41","0.16","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(2,2-Dimethyl-propoxycarbonylamino)-2-hydroxy-3-phenyl-propionic acid methyl ester","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Lawrence Harris; Simon P. H. Mee; Richard H. Furneaux; Graeme J. Gainsford; Andreas Luxenburger","Alkyl 4-Chlorobenzoyloxycarbamates as Highly Effective Nitrogen Source Reagents for the Base-Free, Intermolecular Aminohydroxylation Reaction","Journal of Organic Chemistry","2011","76","","358","372","10.1021/jo1018816","","","1.54178","CuKα","","0.0322","0.0306","","","0.077","0.0789","","","","","","1.045","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025994","10.1709","0.0002","10.2671","0.0002","17.9713","0.0004","90","","90","","90","","1876.66","0.07","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N3 O4 -","- C18 H27 N3 O4 -","- C72 H108 N12 O16 -","4","1","","Valérie Declerck; David J. Aitken","N-Aminoazetidinecarboxylic Acid: Direct Access to a Small-Ring Hydrazino Acid","Journal of Organic Chemistry","2011","76","","708","711","10.1021/jo102108t","","x-ray","0.71073","MoKα","","0.049","0.038","","","0.0956","0.1023","","","","","","1.031","","","","has coordinates","178438","2020-10-21","18:00:00",""
"4025995","10.598","0.003","12.828","0.004","14.885","0.005","90","","90","","90","","2023.6","1.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 Cl2 Cu N3 -","- C17 H31 Cl2 Cu N3 -","- C68 H124 Cl8 Cu4 N12 -","4","1","","Yirong Zhou; Junfang Dong; Fanglin Zhang; Yuefa Gong","Synthesis of C1-Symmetric Chiral Secondary Diamines and Their Applications in the Asymmetric Copper(II)-Catalyzed Henry (Nitroaldol) Reactions","Journal of Organic Chemistry","2011","76","","588","600","10.1021/jo102124d","","","0.71073","MoKα","","0.0439","0.0416","","","0.104","0.1052","","","","","","1.02","","","","has coordinates,has disorder","178438","2020-10-21","18:00:00",""
"4026007","10.234","0.002","12.588","0.002","14.136","0.003","90","","90","","90","","1821.1","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N3 O3 -","- C19 H25 N3 O3 -","- C76 H100 N12 O12 -","4","1","","Alessandro Sacchetti; Alessandra Silvani; Giordano Lesma; Tullio Pilati","Phe-Ala-Based Diazaspirocyclic Lactam as Nucleator of Type II' β-Turn","Journal of Organic Chemistry","2011","76","","833","839","10.1021/jo1019927","","","0.71073","MoKα","","0.0576","0.0331","","","0.0707","0.0774","","","","","","0.934","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026011","7.8612","0.001","11.9639","0.0009","16.3656","0.0012","90","","90","","90","","1539.2","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O3 -","- C15 H28 O3 -","- C60 H112 O12 -","4","1","","Claudia J. Exner; Sylvain Laclef; Florent Poli; Maris Turks; Pierre Vogel","Total Asymmetric Syntheses of β-Hydroxy-δ-lactones via Umpolung with Sulfur Dioxide","Journal of Organic Chemistry","2011","76","","840","845","10.1021/jo102035d","","","0.71073","MoKα","","0.0573","0.0423","","","0.0862","0.0941","","","","","","1.151","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026033","7.4997","0.0004","7.9251","0.0004","19.9447","0.0011","90","","90","","90","","1185.43","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","","Heinz Langhals; Alexander Hofer; Stefan Bernhard; Jay S. Siegel; Peter Mayer","Axially Chiral Bichromophoric Fluorescent Dyes","Journal of Organic Chemistry","2011","76","","990","992","10.1021/jo102254a","","","0.71073","MoKα","","0.0534","0.0333","","","0.07","0.074","","","","","","0.919","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026034","9.306","0.002","13.832","0.001","14.42","0.003","90","","90","","90","","1856.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C80 H88 N8 O16 -","8","2","","Tula B. Bisol; Adailton J. Bortoluzzi; Marcus M. Sá","Nucleophilic Ring-Opening of Epoxide and Aziridine Acetates for the Stereodivergent Synthesis of β-Hydroxy and β-Amino γ-Lactams","Journal of Organic Chemistry","2011","76","","948","962","10.1021/jo102267h","","","0.71069","MoKα","","0.0935","0.0385","","","0.0812","0.0948","","","","","","1.042","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026042","8.491","0.006","9.669","0.007","20.46","0.014","90","","90","","90","","1680","2","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Shin Ando; Amy L. Grote; Kazunori Koide","Diastereoselective Synthesis of Diketopiperazine Bis-α,β-epoxides","Journal of Organic Chemistry","2011","76","","1155","1158","10.1021/jo102096d","","","0.71073","MoKα","","0.1927","0.0868","","","0.1815","0.2213","","","","","","0.891","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026057","9.983","0.002","10.796","0.002","20.198","0.004","90","","90","","90","","2176.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N O7 -","- C24 H26 N O7 -","- C96 H104 N4 O28 -","4","1","","David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran","Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family","Journal of Organic Chemistry","2011","76","","1013","1030","10.1021/jo102228j","","","0.71073","MoKα","","0.1061","0.0827","","","0.1767","0.1874","","","","","","1.155","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026062","16.239","0.012","18.236","0.014","18.655","0.014","90","","90","","90","","5524","7","111","2","111","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44.17 H76.45 N11 O14.15 -","- C44.156 H76.428 N11 O14.136 -","- C176.624 H305.712 N44 O56.544 -","4","1","","Øyvind Jacobsen; Hiroaki Maekawa; Nien-Hui Ge; Carl Henrik Görbitz; Pål Rongved; Ole Petter Ottersen; Mahmood Amiry-Moghaddam; Jo Klaveness","Stapling of a 310-Helix with Click Chemistry","Journal of Organic Chemistry","2011","76","","1228","1238","10.1021/jo101670a","","","0.71073","MoKα","","0.3574","0.0667","","","0.1094","0.1929","","","","","","0.911","","","","has coordinates,has disorder","178439","2020-10-21","18:00:00",""
"4026077","8.9161","0.0002","10.5248","0.0002","19.5057","0.0004","90","","90","","90","","1830.42","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","none","9-cyano-15-phenyl-3,14-dioxanonacyclo [10.4.2.1^2,5^.1^8,11^.0^2,11^.0^4,9^.0^13,16^.0^15,18^.0^19,20^] icosa-10-one","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C100 H84 N4 O12 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Double-Tandem [4π+2π].[2π+2π].[4π+2π].[2π+2π] Synthetic Sequence with Photoprotolytic Oxametathesis and Photoepoxidation in the Chromone Series","Journal of Organic Chemistry","2011","76","","1319","1332","10.1021/jo102221q","","","0.71073","MoKα","","0.0409","0.0354","","","0.1003","0.1067","","","","","","0.746","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026093","8.6361","0.0012","9.5345","0.0013","47.638","0.006","90","","90","","90","","3922.6","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","compound 3b","1-(9H-fluoren-9-ylidene)-1-(2-isopropylphenyl)propan-2-ol","","- C25 H24 O -","- C25 H24 O -","- C200 H192 O8 -","8","2","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure, Conformation, Stereodynamics, and Absolute Configuration of the Atropisomers of Fluorenylidene Derivatives","Journal of Organic Chemistry","2011","76","","1487","1490","10.1021/jo1023427","","","0.71073","MoKα","","0.0503","0.0406","","","0.0858","0.0904","","","","","","1.075","","","","has coordinates","178439","2020-10-21","18:00:00",""
"4026101","9.7844","0.0002","10.1122","0.0003","17.8873","0.0004","90","","90","","90","","1769.8","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0437","0.0375","","","0.1063","0.1089","","","","","","1.128","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026102","6.8347","0.0002","17.1728","0.0005","17.4137","0.0005","90","","90","","90","","2043.86","0.1","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O2 -","- C24 H27 N O2 -","- C96 H108 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.053","0.0408","","","0.1089","0.1145","","","","","","0.994","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026104","8.0663","0.0001","10.2743","0.0001","20.2326","0.0002","90","","90","","90","","1676.79","0.03","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C68 H100 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0424","0.0396","","","0.1116","0.1138","","","","","","1.051","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026105","10.0543","0.0002","11.701","0.0002","13.951","0.0002","90","","90","","90","","1641.27","0.05","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0471","0.0419","","","0.114","0.1171","","","","","","1.015","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026106","7.6999","0.0001","9.8411","0.0002","20.3544","0.0004","90","","90","","90","","1542.36","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Ta-Jung Lu; Cheng-Kun Lin","Asymmetric Synthesis of α-Methyl-α-Amino Acids via Diastereoselective Alkylation of (1S)-(+)-3-Carene Derived Tricyclic Iminolactone","Journal of Organic Chemistry","2011","76","","1621","1633","10.1021/jo1022537","","x-ray","1.54178","CuKα","","0.0409","0.0406","","","0.1125","0.1128","","","","","","1.053","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026107","6.2191","0.0008","11.1721","0.0014","17.86","0.002","90","","90","","90","","1240.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Jeannette M. O'Brien; Jason S. Kingsbury","A Practical Synthesis of 3-Acyl Cyclobutanones by [2 + 2] Annulation. Mechanism and Utility of the Zn(II)-Catalyzed Condensation of α-Chloroenamines with Electron-Deficient Alkenes","Journal of Organic Chemistry","2011","76","","1662","1672","10.1021/jo102257k","","","0.71073","MoKα","","0.0485","0.0371","","","0.0769","0.0817","","","","","","1.032","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026122","12.0065","0.0012","17.58","0.0018","20.214","0.002","90","","90","","90","","4266.7","0.7","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H24 Br2 O6 -","- C70 H24 Br2 O6 -","- C280 H96 Br8 O24 -","4","1","","Jianxin Zhang; Nana Xin; Liangbing Gan","Bromination-Mediated Regioselective Preparation of Cyclopentadienyl-Type [60]Fullerene Derivatives with Alkoxy, Peroxy, and Bromo or Hydro Addends","Journal of Organic Chemistry","2011","76","","1735","1741","10.1021/jo102377r","","","0.71075","MoKα","","0.0329","0.0286","","","0.0602","0.0612","","","","","","0.997","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026129","7.0876","0.0004","16.0787","0.0009","21.6431","0.0012","90","","90","","90","","2466.4","0.2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 B2 O3 P2 -","- C22 H36 B2 O3 P2 -","- C88 H144 B8 O12 P8 -","4","1","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.1212","0.0662","","","0.1563","0.2329","","","","","","1.206","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026131","9.2921","0.0016","14.879","0.002","18.8246","0.0018","90","","90","","90","","2602.6","0.6","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cl2 O4 P2 Pd -","- C24 H34 Cl2 O4 P2 Pd -","- C96 H136 Cl8 O16 P8 Pd4 -","4","1","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.0308","0.0278","","","0.0826","0.0905","","","","","","0.748","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026132","10.9964","0.0004","13.7798","0.0005","22.3755","0.0009","90","","90","","90","","3390.5","0.2","108","2","108","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 Cl5 O5 P2 Pd -","- C27 H39 Cl5 O5 P2 Pd -","- C108 H156 Cl20 O20 P8 Pd4 -","4","1","","Yasuhiro Morisaki; Hiroaki Imoto; Koji Hirano; Tamio Hayashi; Yoshiki Chujo","Synthesis of Enantiomerically Pure P-Stereogenic Diphosphacrowns and Their Palladium Complexes","Journal of Organic Chemistry","2011","76","","1795","1803","10.1021/jo1024442","","","0.71075","MoKα","","0.0363","0.0282","","","0.055","0.0842","","","","","","1.226","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026139","6.028","0.005","16.365","0.005","18.57","0.005","90","0.005","90","0.005","90","0.005","1831.9","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17.5 N0 O3.5 S1.75 -","- C20 H23 N O2 S -","- C80 H92 N4 O8 S4 -","4","1","","Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello","Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group","Journal of Organic Chemistry","2011","76","","1814","1820","10.1021/jo1024943","","","0.71073","MoKα","","0.0718","0.0453","","","0.1094","0.1237","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026140","6.037","0.005","16.367","0.005","18.598","0.005","90","0.005","90","0.005","90","0.005","1837.6","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17.5 N0 O3.5 S1.75 -","- C20 H24 N O2 S -","- C80 H96 N4 O8 S4 -","4","1","","Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello","Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group","Journal of Organic Chemistry","2011","76","","1814","1820","10.1021/jo1024943","","","0.71073","MoKα","","0.0757","0.0497","","","0.1256","0.142","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026141","8.0114","0.0012","12.5034","0.0014","18.835","0.002","90","","90","","90","","1886.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N O2 S -","- C18 H25 N O2 S -","- C72 H100 N4 O8 S4 -","4","1","","Marco Blangetti; Gianluca Croce; Annamaria Deagostino; Eleonora Mussano; Cristina Prandi; Paolo Venturello","Asymmetric Synthesis of Ethoxydienamines in Superbasic Medium Mediated by Chiral Sulfinyl Group","Journal of Organic Chemistry","2011","76","","1814","1820","10.1021/jo1024943","","","0.71073","MoKα","","0.3301","0.0926","","","0.1405","0.207","","","","","","0.933","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4026151","7.0684","0.0002","8.4206","0.0002","14.9569","0.0005","90","","90","","90","","890.24","0.04","200","","200","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 F N O6 -","- C6 H12 F N O6 -","- C24 H48 F4 N4 O24 -","4","1","","Shane M. Wilkinson; Morgan A. Watson; Anthony C. Willis; Malcolm D. McLeod","Experimental and Kinetic Studies of the Escherichia coli Glucuronylsynthase: An Engineered Enzyme for the Synthesis of Glucuronide Conjugates","Journal of Organic Chemistry","2011","76","","1992","2000","10.1021/jo101914s","","","0.71073","MoKα","","0.0283","0.0256","","0.0728","0.072","0.0728","","","","","","0.9887","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026152","7.8722","0.0003","9.2049","0.0003","41.2201","0.0015","90","","90","","90","","2986.92","0.19","200","","200","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 N Na2 O11 -","- C28 H41 N Na2 O11 -","- C112 H164 N4 Na8 O44 -","4","1","","Shane M. Wilkinson; Morgan A. Watson; Anthony C. Willis; Malcolm D. McLeod","Experimental and Kinetic Studies of the Escherichia coli Glucuronylsynthase: An Engineered Enzyme for the Synthesis of Glucuronide Conjugates","Journal of Organic Chemistry","2011","76","","1992","2000","10.1021/jo101914s","","","0.71073","MoKα","","0.0588","0.0368","","0.0921","0.0868","0.0921","","","","","","0.8203","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026155","8.94134","0.00017","9.9466","0.0002","16.0925","0.0004","90","","90","","90","","1431.2","0.05","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Naoshi Yamamoto; Hideaki Fujii; Satomi Imaide; Shigeto Hirayama; Toru Nemoto; Junji Inokoshi; Hiroshi Tomoda; Hiroshi Nagase","Synthesis of (-)-Homogalanthamine from Naltrexone","Journal of Organic Chemistry","2011","76","","2257","2260","10.1021/jo1022487","","","1.54187","CuKα","","","0.0321","","","","0.0942","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026158","9.991","0.0008","15.5697","0.0013","22.565","0.002","90","","90","","90","","3510.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F3 N O4 -","- C17 H18 F3 N O4 -","- C136 H144 F24 N8 O32 -","8","2","","Lele Wen; Qilong Shen; Xiaolong Wan; Long Lu","Enantioselective Friedel-Crafts Alkylation of Indoles with Trifluoroethylidene Malonates by Copper-Bis(oxazoline) Complexes: Construction of Trifluoromethyl-Substituted Stereogenic Tertiary Carbon Center","Journal of Organic Chemistry","2011","76","","2282","2285","10.1021/jo1024333","","","0.71073","MoKα","","0.069","0.051","","","0.1268","0.136","","","","","","0.982","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026175","5.5133","0.0002","9.0665","0.0003","25.619","0.0009","90","","90","","90","","1280.6","0.08","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","0.71073","MoKα","","0.0622","0.0497","","","0.1469","0.1773","","","","","","1.269","","","","has coordinates","178440","2020-10-21","18:00:00",""
"4026177","10.3577","0.0006","11.0416","0.0006","19.1457","0.0011","90","","90","","90","","2189.6","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O -","- C26 H26 N2 O -","- C104 H104 N8 O4 -","4","1","","Tillmann Kleine; Klaus Bergander; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring-Closure Reactions of 1,2-Diaza-4,5-benzoheptatrienyl Metal Compounds: Experiment and Theory","Journal of Organic Chemistry","2011","76","","1979","1991","10.1021/jo2001534","","","1.54178","CuKα","","0.0754","0.0466","","","0.087","0.1016","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026200","9.533","0.0003","10.9995","0.0004","11.9696","0.0005","90","","90","","90","","1255.11","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O S -","- C12 H18 N2 O S -","- C48 H72 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0906","0.0571","","","0.1477","0.1961","","","","","","1.097","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026201","7.6755","0.0002","10.2448","0.0003","17.465","0.0006","90","","90","","90","","1373.34","0.07","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O S -","- C13 H20 N2 O S -","- C52 H80 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0609","0.0431","","","0.1052","0.1312","","","","","","1.147","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026202","6.5475","0.0002","16.1647","0.0004","16.3838","0.0006","90","","90","","90","","1734.03","0.09","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Cl N2 O S -","- C15 H23 Cl N2 O S -","- C60 H92 Cl4 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0819","0.052","","","0.132","0.1676","","","","","","1.117","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4026205","6.4544","0.00021","12.33061","0.0004","16.15021","0.00059","90","","90","","90","","1285.34","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N2 O S -","- C12 H20 N2 O S -","- C48 H80 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0952","0.0543","","","0.149","0.1867","","","","","","1.24","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026206","8.7773","0.0003","11.8656","0.0005","14.594","0.0007","90","","90","","90","","1519.93","0.11","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 N2 O S -","- C13 H22 N2 O S -","- C52 H88 N8 O4 S4 -","4","1","","Marina Martjuga; Sergey Belyakov; Edvards Liepinsh; Edgars Suna","Asymmetric Synthesis of 1,3-Diamines. II: Diastereoselective Reduction of Atropisomeric N-tert-Butanesulfinylketimines","Journal of Organic Chemistry","2011","76","","2635","2647","10.1021/jo1025767","","","0.71073","MoKα","","0.0874","0.0516","","","0.1294","0.167","","","","","","1.117","","","","has coordinates,has Fobs","178441","2020-10-21","18:00:00",""
"4026210","6.1794","0.0004","10.36","0.0007","27.9401","0.0018","90","","90","","90","","1788.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 F3 N3 O4 -","- C19 H18 F3 N3 O4 -","- C76 H72 F12 N12 O16 -","4","1","","Viktor O. Iaroshenko; Dmytro Ostrovskyi; Andranik Petrosyan; Satenik Mkrtchyan; Alexander Villinger; Peter Langer","Synthesis of Fluorinated Purine and 1-Deazapurine Glycosides as Potential Inhibitors of Adenosine Deaminase","Journal of Organic Chemistry","2011","76","","2899","2903","10.1021/jo102579g","","","0.71073","MoKα","","0.0474","0.0374","","","0.088","0.0928","","","","","","1.043","","","","has coordinates,has disorder","178441","2020-10-21","18:00:00",""
"4026211","10.2659","0.0008","16.5538","0.0012","16.9975","0.0012","90","","90","","90","","2888.5","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Br N2 O -","- C30 H25 Br N2 O -","- C120 H100 Br4 N8 O4 -","4","1","","Takayoshi Arai; Makiko Wasai; Naota Yokoyama","Easy Access to Fully Functionalized Chiral Tetrahydro-β-Carboline Alkaloids","Journal of Organic Chemistry","2011","76","","2909","2912","10.1021/jo1025833","","","0.71073","MoKα","","0.1446","0.137","","","0.3728","0.38","","","","","","2.798","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026216","6.0781","0.0019","12.324","0.004","19.719","0.006","90","","90","","90","","1477.1","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Br N2 O3 -","- C13 H19 Br N2 O3 -","- C52 H76 Br4 N8 O12 -","4","1","","Guolin Cheng; Xinyan Wang; Rui Zhu; Changwei Shao; Jimin Xu; Yuefei Hu","Total Synthesis of (-)-Cocaine and (-)-Ferruginine","Journal of Organic Chemistry","2011","76","","2694","2700","10.1021/jo200069m","","","0.7107","MoKα","","0.0503","0.0357","","","0.058","0.0627","","","","","","0.887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026217","5.8249","0.0007","11.1726","0.0014","12.4624","0.0014","90","","90","","90","","811.04","0.17","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 B F3 N -","- C6 H13 B F3 N -","- C24 H52 B4 F12 N4 -","4","1","","Jessica Raushel; Deidre L. Sandrock; Kanth V. Josyula; Deborah Pakyz; Gary A. Molander","Reinvestigation of Aminomethyltrifluoroborates and Their Application in Suzuki-Miyaura Cross-Coupling Reactions","Journal of Organic Chemistry","2011","76","","2762","2769","10.1021/jo2001066","","","0.71073","MoKα","","0.0224","0.0221","","","0.0565","0.0568","","","","","","1.072","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026221","10.0656","0.0003","14.638","0.0003","16.2287","0.0004","90","","90","","90","","2391.14","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C112 H112 N8 O16 -","4","1","","Vaibhav P. Mehta; Sachin G. Modha; Eelco Ruijter; Kristof Van Hecke; Luc Van Meervelt; Christophe Pannecouque; Jan Balzarini; Romano V. A. Orru; Erik Van der Eycken","A Microwave-Assisted Diastereoselective Multicomponent Reaction To Access Dibenzo[c,e]azepinones: Synthesis and Biological Evaluation","Journal of Organic Chemistry","2011","76","","2828","2839","10.1021/jo200251q","","","1.54178","CuKα","","0.0348","0.0331","","","0.0802","0.081","","","","","","1.094","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026226","10.952","","11.122","","20.295","","90","","90","","90","","2472.1","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N O8 S -","- C25 H31 N O6 S -","- C100 H124 N4 O24 S4 -","4","1","","Tarun Kumar Pal; Santu Dey; Tanmaya Pathak","A General Route to Mono- and Disubstituted Divinyl Sulfones: Acyclic Michael Acceptors for the Synthesis of Polyfunctionalized Cyclic Sulfones","Journal of Organic Chemistry","2011","76","","3034","3041","10.1021/jo101877r","","","0.71073","MoKα","","0.1891","0.0594","","","0.1053","0.1394","","","","","","0.947","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026227","8.304","","8.832","","27.774","","90","","90","","90","","2036.97","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O6 S -","- C19 H25 N O7 S -","- C76 H100 N4 O28 S4 -","4","1","","Tarun Kumar Pal; Santu Dey; Tanmaya Pathak","A General Route to Mono- and Disubstituted Divinyl Sulfones: Acyclic Michael Acceptors for the Synthesis of Polyfunctionalized Cyclic Sulfones","Journal of Organic Chemistry","2011","76","","3034","3041","10.1021/jo101877r","","","0.71073","MoKα","","0.1438","0.0519","","","0.1131","0.1426","","","","","","1.008","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026231","18.698","0.0005","30.7933","0.0007","31.393","0.0008","90","","90","","90","","18075.2","0.8","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C144 H242 N6 O62 P2 Si2 W17 -","- C134 N6 O62 P2 Si2 W17 -","- C536 N24 O248 P8 Si8 W68 -","4","1","","B. Matt; S. Renaudineau; L.-M. Chamoreau; C. Afonso; G. Izzet; A. Proust","Hybrid Polyoxometalates: Keggin and Dawson Silyl Derivatives as Versatile Platforms","Journal of Organic Chemistry","2011","76","","3107","3112","10.1021/jo102546v","","","0.71073","MoKα","","0.0983","0.0751","","","0.1572","0.1764","","","","","","1.161","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026235","10.4123","0.0007","10.7934","0.0006","27.6152","0.0016","90","","90","","90","","3103.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N,N'-(3,3'-diallyl-1,1'-binaphthyl-2,2'-diyl)bis(N-allyl- methanesulfonamide)","","- C34 H36 N2 O4 S2 -","- C34 H36 N2 O4 S2 -","- C136 H144 N8 O16 S8 -","4","1","","Wanchai Pluempanupat; Michael Abraham; Lothar Brecker; Peter Wolschann; Alfred Karpfen; Vladimir B. Arion; Michael Widhalm","Synthesis and Conformation of Chiral Biheteroaryls","Journal of Organic Chemistry","2011","76","","3222","3230","10.1021/jo200089p","","","0.71073","MoKα","","0.1128","0.0572","","","0.1072","0.1251","","","","","","0.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026251","8.7677","0.0004","16.5022","0.0007","20.6975","0.0008","90","","90","","90","","2994.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O7 S -","- C32 H41 N O7 S -","- C128 H164 N4 O28 S4 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0282","0.0276","","","0.0711","0.0716","","","","","","1.051","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026252","7.5083","0.0005","17.6294","0.001","18.7013","0.001","90","","90","","90","","2475.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O6 S -","- C26 H27 N O6 S -","- C104 H108 N4 O24 S4 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0481","0.0429","","","0.121","0.1275","","","","","","1.063","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026253","9.0923","0.0005","15.3412","0.0006","17.4219","0.0009","90","","90","","90","","2430.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyl [3R,3aS,4S,11bR,11cS,(S)S]-3-Ethoxy-11c-p-tolylsulfinyl -1-oxo-3a,4,11b,11c-tetrahydro-1H,3H-furo[3',4':3,4]pyrrolo[2,1-a] isoquinoline-4-carboxylate","","- C26 H27 N O6 S -","- C26 H27 N O6 S -","- C104 H108 N4 O24 S4 -","4","1","","José Luis García Ruano; Alberto Fraile; M. Rosario Martín; Gemma González; Cristina Fajardo; Ana María Martín-Castro","Asymmetric Synthesis of Pyrrolo[2,1-a]isoquinoline Derivatives by 1,3-Dipolar Cycloadditions of Stabilized Isoquinolinium N-Ylides with Sulfinyl Dipolarophiles","Journal of Organic Chemistry","2011","76","","3296","3305","10.1021/jo200191c","","","1.54178","CuKα","","0.0563","0.0395","","0.1019","0.0927","","","","1.049","1.06","1.06","","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026259","5.7361","0.0003","13.5039","0.0006","19.7921","0.0008","90","","90","","90","","1533.09","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O -","- C17 H18 N4 O -","- C68 H72 N16 O4 -","4","1","","Subhendu Sekhar Bag; Rajen Kundu","Installation/Modulation of the Emission Response via Click Reaction","Journal of Organic Chemistry","2011","76","","3348","3356","10.1021/jo200231k","","","0.71073","MoKα","","0.1237","0.038","","","0.0476","0.0531","","","","","","0.925","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026263","7.9575","0.0004","12.5868","0.001","16.0983","0.001","90","","90","","90","","1612.4","0.18","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,7R)-5,6-dehydro-de-O-methyl-centrolobine","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Bernd Schmidt; Frank Hölter; Alexandra Kelling; Uwe Schilde","Pd-Catalyzed Arylation Reactions with Phenol Diazonium Salts: Application in the Synthesis of Diarylheptanoids","Journal of Organic Chemistry","2011","76","","3357","3365","10.1021/jo2002787","","","0.71073","MoKα","","0.0449","0.0358","","","0.0898","0.0925","","","","","","1.009","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026265","13.8401","0.0008","14.0384","0.0009","22.6045","0.0017","90","","90","","90","","4391.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H64 N8 O4 -","- C42 H64 N8 O4 -","- C168 H256 N32 O16 -","4","1","","Andrea Gualandi; Lucia Cerisoli; Helen Stoeckli-Evans; Diego Savoia","Pyrrole Macrocyclic Ligands for Cu-Catalyzed Asymmetric Henry Reactions","Journal of Organic Chemistry","2011","76","","3399","3408","10.1021/jo200318b","","","0.71073","MoKα","","0.1093","0.071","","","0.1681","0.1827","","","","","","1.033","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026274","8.3742","0.0002","12.4885","0.0002","27.9806","0.0007","90","","90","","90","","2926.24","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C128 H208 O24 -","8","2","","Mark V. Riofski; Jinu P. John; Mary M. Zheng; Julia Kirshner; David A. Colby","Exploiting the Facile Release of Trifluoroacetate for the α-Methylenation of the Sterically Hindered Carbonyl Groups on (+)-Sclareolide and (-)-Eburnamonine","Journal of Organic Chemistry","2011","76","","3676","3683","10.1021/jo102114f","","","1.54184","CU-Kα","","0.047","0.033","","","0.074","0.085","","","","","","1.122","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026276","7.817","0.006","8.455","0.007","33.54","0.03","90","","90","","90","","2217","3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 N O5 -","- C21 H35 N O5 -","- C84 H140 N4 O20 -","4","1","","Yu-Rong Yang; Liang Shen; Jiu-Zhong Huang; Tao Xu; Kun Wei","Application of the Helquist Annulation in Lycopodium Alkaloid Synthesis: Unified Total Syntheses of (-)-8-Deoxyserratinine, (+)-Fawcettimine, and (+)-Lycoflexine","Journal of Organic Chemistry","2011","76","","3684","3690","10.1021/jo1023188","","","0.71073","MoKα","","0.2221","0.0891","","","0.2026","0.279","","","","","","0.963","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026299","9.5436","0.0002","11.7206","0.0003","13.6397","0.0003","90","","90","","90","","1525.69","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R,R)-PDIPA diboron","","","- C12 H25 B2 N O4 -","- C12 H25 B2 N O4 -","- C48 H100 B8 N4 O16 -","4","1","","Ming Gao; Steven B. Thorpe; Christian Kleeberg; Carla Slebodnick; Todd B. Marder; Webster L. Santos","Structure and Reactivity of a Preactivated sp2-sp3 Diboron Reagent: Catalytic Regioselective Boration of α,β-Unsaturated Conjugated Compounds","Journal of Organic Chemistry","2011","76","","3997","4007","10.1021/jo2003488","","x-ray","1.54178","CuKα","","0.0386","0.0365","","","0.0973","0.0994","","","","","","1.089","","","","has coordinates","178441","2020-10-21","18:00:00",""
"4026300","9.5091","0.0003","11.82","0.0003","13.6947","0.0004","90","","90","","90","","1539.25","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","pinacolato diisopropanolaminato diboron","","","- C12 H25 B2 N O4 -","- C12 H25 B2 N O4 -","- C48 H100 B8 N4 O16 -","4","1","","Ming Gao; Steven B. Thorpe; Christian Kleeberg; Carla Slebodnick; Todd B. Marder; Webster L. Santos","Structure and Reactivity of a Preactivated sp2-sp3 Diboron Reagent: Catalytic Regioselective Boration of α,β-Unsaturated Conjugated Compounds","Journal of Organic Chemistry","2011","76","","3997","4007","10.1021/jo2003488","","","0.71073","MoKα","","0.0571","0.0495","","","0.134","0.1433","","","","","","1.056","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026306","6.961","","8.318","","18.806","","90","","90","","90","","1088.9","","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Br O3 -","- C12 H9 Br O3 -","- C48 H36 Br4 O12 -","4","1","","Chih-Wei Chang; Rong-Jie Chein","Absolute Configuration of Anti-HIV-1 Agent (-)-Concentricolide: Total Synthesis of (+)-(R)-Concentricolide","Journal of Organic Chemistry","2011","76","","4154","4157","10.1021/jo2004132","","","0.71073","MoKα","","0.0455","0.0313","","","0.058","0.0625","","","","","","1.038","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026308","8.1547","0.0002","22.8614","0.0004","24.6075","0.0004","90","","90","","90","","4587.52","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br F3 N2 O2 -","- C24 H22 Br F3 N2 O2 -","- C192 H176 Br8 F24 N16 O16 -","8","2","","Partha Ghosh; Jeffrey Aubé","Resolution of Carboxylic Acids Using Copper(I)-Promoted Removal of Propargylic Esters under Neutral Conditions","Journal of Organic Chemistry","2011","76","","4168","4172","10.1021/jo200433w","","","1.54178","CuKα","","0.0463","0.0449","","","0.1248","0.1258","","","","","","1.045","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026317","7.457","0.0004","9.906","0.0006","19.228","0.0009","90","","90","","90","","1420.35","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","","Lara Mata; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Stereocontrolled Ring-Opening of a Hindered Sulfamidate with Nitrogen-Containing Aromatic Heterocycles: Synthesis of Chiral Quaternary Imidazole Derivatives","Journal of Organic Chemistry","2011","76","","4034","4042","10.1021/jo200479y","","","0.71073","MoKα","","0.0712","0.0497","","","0.1122","0.1224","","","","","","1.047","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026318","7.575","0.0001","7.573","0.0001","45.441","0.001","90","","90","","90","","2606.74","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Br N3 O4 -","- C10 H14 Br N3 O4 -","- C80 H112 Br8 N24 O32 -","8","2","","Lara Mata; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","Stereocontrolled Ring-Opening of a Hindered Sulfamidate with Nitrogen-Containing Aromatic Heterocycles: Synthesis of Chiral Quaternary Imidazole Derivatives","Journal of Organic Chemistry","2011","76","","4034","4042","10.1021/jo200479y","","","0.71073","MoKα","","0.0831","0.0505","","","0.0752","0.0873","","","","","","1.071","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026370","7.2525","0.0002","10.3974","0.0003","16.8918","0.0006","90","","90","","90","","1273.76","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 F N O -","- C14 H20 F N O -","- C56 H80 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Ring-Opening Hydrofluorination of 2,3- and 3,4-Epoxy Amines by HBF4.OEt2: Application to the Asymmetric Synthesis of (S,S)-3-Deoxy-3-fluorosafingol","Journal of Organic Chemistry","2011","76","","4617","4627","10.1021/jo200517w","","","0.71073","MoKα","","0.0699","0.0523","","0.1357","0.1286","0.1357","","","","","","0.9633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026392","9.8714","0.0005","10.7521","0.0005","22.9002","0.0011","90","","90","","90","","2430.6","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Br F3 N O2 Si -","- C22 H31 Br F3 N O2 Si -","- C88 H124 Br4 F12 N4 O8 Si4 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0719","0.0456","","","0.1236","0.1444","","","","","","1.04","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026393","4.6758","0.0001","9.7426","0.0002","31.543","0.0006","90","","90","","90","","1436.92","0.05","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F3 N O2 -","- C16 H16 F3 N O2 -","- C64 H64 F12 N4 O8 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0441","0.0382","","","0.0982","0.1017","","","","","","1.079","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026394","8.6101","0.0003","11.18","0.0005","13.0969","0.0006","90","","90","","90","","1260.72","0.09","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0438","0.0366","","","0.0972","0.109","","","","","","1.111","","","","has coordinates","178442","2020-10-21","18:00:00",""
"4026395","8.5162","0.0003","16.3427","0.0006","17.5249","0.0005","90","","90","","90","","2439.08","0.14","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O4 -","- C30 H36 N2 O4 -","- C120 H144 N8 O16 -","4","1","","Roderick W. Bates; S. Sridhar","Synthesis of the Stenine Ring System from Pyrrole","Journal of Organic Chemistry","2011","76","","5026","5035","10.1021/jo200699k","","","0.71073","MoKα","","0.0519","0.0434","","","0.1113","0.1176","","","","","","0.946","","","","has coordinates,has disorder","178442","2020-10-21","18:00:00",""
"4026405","8.67779","0.00016","12.6373","0.0002","17.1203","0.0003","90","","90","","90","","1877.48","0.06","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl N3 O2 -","- C20 H22 Cl N3 O2 -","- C80 H88 Cl4 N12 O8 -","4","1","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0471","","","","0.1054","","","","","","0.648","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026406","8.18197","0.00015","8.69418","0.00016","26.3682","0.0005","90","","90","","90","","1875.72","0.06","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl N3 O2 -","- C20 H22 Cl N3 O2 -","- C80 H88 Cl4 N12 O8 -","4","1","","Hidetsugu Tabata; Naoya Wada; Yuko Takada; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Isolation and Characterization of Atropisomers of Seven-Membered-Ring Benzolactams","Journal of Organic Chemistry","2011","76","","5123","5131","10.1021/jo2008725","","","1.54187","CuKα","","","0.0286","","","","0.066","","","","","","0.737","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026428","6.418","0.0002","17.9496","0.0004","40.0556","0.001","90","","90","","90","","4614.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Cl3 N O4 -","- C22 H24 Cl3 N O4 -","- C176 H192 Cl24 N8 O32 -","8","2","","Paolo Tosatti; Amanda J. Campbell; David House; Adam Nelson; Stephen P. Marsden","Catalyst Control in Sequential Asymmetric Allylic Substitution: Stereodivergent Access to N,N-Diprotected Unnatural Amino Acids","Journal of Organic Chemistry","2011","76","","5495","5501","10.1021/jo200720c","","","0.71073","MoKα","","0.056","0.0431","","","0.0957","0.1019","","","","","","1.052","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026429","4.7721","0.001","8.0365","0.0016","31.58","0.006","90","","90","","90","","1211.1","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'R,2'R,4'S,5'S)-9-(4-hydroxymethyl-3-oxabicyclo[3.2.0]hept-6-en-2-yl) adenine","","- C12 H13 N5 O2 -","- C12 H13 N5 O2 -","- C48 H52 N20 O8 -","4","1","","Ramon Flores; Albert Rustullet; Ramon Alibés; Angel Álvarez-Larena; Pedro de March; Marta Figueredo; Josep Font","Synthesis of Purine Nucleosides Built on a 3-Oxabicyclo[3.2.0]heptane Scaffold","Journal of Organic Chemistry","2011","76","","5369","5383","10.1021/jo200775x","","","0.71073","MoKα","","0.1211","0.0603","","","0.1278","0.15","","","","","","1.015","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026430","10.2887","0.0006","10.5055","0.0006","11.3704","0.0006","90","","90","","90","","1229","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1'S,2'S,4'S,5'R)-9-(1'-fluoro-4'-hydroxymethyl-3'-oxabicyclo[3.2.0] hept-2-yl)-9H-hypoxanthine","","- C12 H13 F N4 O3 -","- C12 H13 F N4 O3 -","- C48 H52 F4 N16 O12 -","4","1","","Ramon Flores; Albert Rustullet; Ramon Alibés; Angel Álvarez-Larena; Pedro de March; Marta Figueredo; Josep Font","Synthesis of Purine Nucleosides Built on a 3-Oxabicyclo[3.2.0]heptane Scaffold","Journal of Organic Chemistry","2011","76","","5369","5383","10.1021/jo200775x","","","0.71073","MoKα","","0.036","0.0335","","","0.0884","0.0907","","","","","","1.019","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026448","7.2408","0.0001","8.3225","0.0001","34.4966","0.0005","90","","90","","90","","2078.82","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Seb Caille; Rich Crockett; Krishnakumar Ranganathan; Xiang Wang; Jacqueline C. S. Woo; Shawn D. Walker","Catalytic Asymmetric Synthesis of a Tertiary Benzylic Carbon Center via Phenol-Directed Alkene Hydrogenation","Journal of Organic Chemistry","2011","76","","5198","5206","10.1021/jo200941r","","x-ray","1.54178","CuKα","","0.042","0.0386","","","0.0988","0.1017","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026451","10.3903","0.0013","18.681","0.002","23.4","0.003","90","","90","","90","","4542","0.9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl O4 -","- C27 H23 Cl O4 -","- C216 H184 Cl8 O32 -","8","2","","Cong Liu; Bo-Xuan Tan; Jia-Lu Jin; Yue-Yan Zhang; Nan Dong; Xin Li; Jin-Pei Cheng","Chiral Biscinchona Alkaloid Promoted Asymmetric Allylic Alkylation of 3-Substituted Benzofuran-2(3H)-ones with Morita-Baylis-Hillman Carbonates","Journal of Organic Chemistry","2011","76","","5838","5845","10.1021/jo200557b","","","0.71075","MoKα","","0.0391","0.0352","","","0.0722","0.0738","","","","","","1.033","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026473","6.588","0.0001","13.13","0.0003","18.398","0.0003","90","","90","","90","","1591.44","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Yolanda Pérez-Fuertes; James E. Taylor; David A. Tickell; Mary F. Mahon; Steven D. Bull; Tony D. James","Asymmetric Strecker Synthesis of α-Arylglycines","Journal of Organic Chemistry","2011","76","","6038","6047","10.1021/jo200528s","","","0.71073","MoKα","","0.0661","0.0399","","","0.0855","0.096","","","","","","1.037","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026475","9.498","0.0005","16.8744","0.0008","19.4763","0.001","90","","90","","90","","3121.5","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Xiaoyi Chen; Dongxu Chen; Zenghui Lu; Lichun Kong; Gangguo Zhu","Palladium-Catalyzed Coupling of Haloalkynes with Allyl Acetate: A Regio- and Stereoselective Synthesis of (Z)-β-Haloenol Acetates","Journal of Organic Chemistry","2011","76","","6338","6343","10.1021/jo2005318","","","0.71073","MoKα","","0.0499","0.0426","","","0.1107","0.1159","","","","","","1.057","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026483","7.6538","0.0001","11.5537","0.0002","15.5946","0.0003","90","","90","","90","","1379.03","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 N2 O2 P -","- C13 H21 N2 O2 P -","- C52 H84 N8 O8 P4 -","4","1","","Yurii V. Svyaschenko; Bogdan B. Barnych; Dmitriy M. Volochnyuk; Nadiya V. Shevchuk; Aleksandr N. Kostyuk","Electrocyclization of Phosphahexatrienes: An Approach to λ5-Phosphinines","Journal of Organic Chemistry","2011","76","","6125","6133","10.1021/jo200847r","","","0.71073","MoKα","","0.032","0.0291","","","0.0704","0.0722","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026495","9.7236","0.0002","13.2103","0.0002","14.0965","0.0002","90","","90","","90","","1810.72","0.05","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O6 -","- C20 H21 N O6 -","- C80 H84 N4 O24 -","4","1","","Lorenzo V. White; Brett D. Schwartz; Martin G. Banwell; Anthony C. Willis","A Chemoenzymatic Total Synthesis of (+)-Clividine","Journal of Organic Chemistry","2011","76","","6250","6257","10.1021/jo201005d","","","0.71073","MoKα","","0.0387","0.0341","","0.0873","0.0844","0.0873","","","","","","1.0024","","","","has coordinates","178443","2020-10-21","18:00:00",""
"4026500","8.095","0.0009","12.6448","0.0014","20.093","0.003","90","","90","","90","","2056.7","0.4","223","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br2 O4 -","- C22 H20 Br2 O4 -","- C88 H80 Br8 O16 -","4","1","","Patrick G. McGarraugh; Joshua H. Jones; Stacey E. Brenner-Moyer","A General Organocatalyzed Michael-Michael Cascade Reaction Generates Functionalized Cyclohexenes","Journal of Organic Chemistry","2011","76","","6309","6319","10.1021/jo201140a","","","0.71075","MoKα","","","0.0506","","","","0.1127","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026507","7.6599","0.0015","9.3279","0.0019","16.515","0.003","90","","90","","90","","1180","0.4","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N2 O6 S -","- C10 H10 N2 O6 S -","- C40 H40 N8 O24 S4 -","4","1","","Suneel P. Singh; Alex Michaelides; A. Rod Merrill; Adrian L. Schwan","A Microwave-Assisted Synthesis of (S)-N-Protected Homoserine γ-Lactones from l-Aspartic Acid","Journal of Organic Chemistry","2011","76","","6825","6831","10.1021/jo2008093","","","0.71073","MoKα","","0.0422","0.0346","","","0.0817","0.0867","","","","","","1.101","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026508","5.0855","0.0001","9.6271","0.0003","25.6576","0.0007","90","","90","","90","","1256.16","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Erin R. Graham; Rik R. Tykwinski","Chiral Propargyl Alcohols via the Enantioselective Addition of Terminal Di- and Triynes to Aldehydes","Journal of Organic Chemistry","2011","76","","6574","6583","10.1021/jo2008719","","","0.71073","MoKα","","0.0319","0.0312","","","0.086","0.0872","","","","","","1.084","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026511","7.7365","0.0004","10.5171","0.0006","19.434","0.0012","90","","90","","90","","1581.26","0.16","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C56 H96 N8 O20 -","4","1","","Diego Núñez-Villanueva; M. Ángeles Bonache; Lourdes Infantes; M. Teresa García-López; Mercedes Martín-Martínez; Rosario González-Muñiz","Quaternary α,α-2-Oxoazepane α-Amino Acids: Synthesis from Ornithine-Derived β-Lactams and Incorporation into Model Dipeptides","Journal of Organic Chemistry","2011","76","","6592","6603","10.1021/jo200894d","","","1.54178","CuKα","","0.0936","0.0854","","","0.2173","0.2241","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026513","8.32986","0.0001","11.95103","0.00015","35.3621","0.0005","90","","90","","90","","3520.31","0.08","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1β-(6-Bromopyridin-3-yl)-1,3,5-tri -O-(tert-butyldimethylsilyl)-D-ribofuranose","","- C28 H54 Br N O5 Si3 -","- C28 H54 Br N O5 Si3 -","- C112 H216 Br4 N4 O20 Si12 -","4","1","","Martin Štefko; Lenka Slavětínská; Blanka Klepetářová; Michal Hocek","General and Modular Synthesis of Isomeric 5-Substituted Pyridin-2-yl and 6-Substituted Pyridin-3-yl C-Ribonucleosides Bearing Diverse Alkyl, Aryl, Hetaryl, Amino, Carbamoyl, and Hydroxy Groups","Journal of Organic Chemistry","2011","76","","6619","6635","10.1021/jo200949c","","x-ray","1.54184","CuKα","","0.0412","0.038","","0.0496","0.0464","0.0464","","","","","","0.9277","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026520","4.3122","0.0012","10.505","0.003","27.486","0.007","90","","90","","90","","1245.1","0.6","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl N2 O S -","- C12 H11 Cl N2 O S -","- C48 H44 Cl4 N8 O4 S4 -","4","1","","Tom Verhelst; Jens Maes; Zuming Liu; Sergey Sergeyev; Bert U. W. Maes","Synthesis of Functionalized Pyridazin-3(2H)-ones via Selective Bromine-Magnesium Exchange and Lactam Directed Ortho C-H Magnesiation","Journal of Organic Chemistry","2011","76","","6670","6677","10.1021/jo201009m","","","0.71073","MoKα","","0.0411","0.0352","","","0.0836","0.0897","","","","","","1.153","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026534","7.4468","0.0005","11.144","0.0007","27.7567","0.0017","90","","90","","90","","2303.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O3 -","- C27 H40 O3 -","- C108 H160 O12 -","4","1","","Xi-Bo Chen; Qian-Jia Yuan; Jing Wang; Si-Kai Hua; Jiangmeng Ren; Bu-Bing Zeng","Synthesis of the Scalarane Sesterterpenoid 16-deacetoxy-12-epi-scalarafuranacetate","Journal of Organic Chemistry","2011","76","","7216","7221","10.1021/jo2008127","","","0.71073","MoKα","","0.0433","0.039","","","0.1145","0.1188","","","","","","1.065","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026550","7.6095","0.0004","9.119","0.0005","24.1791","0.0012","90","","90","","90","","1677.81","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Br N Si -","- C17 H22 Br N Si -","- C68 H88 Br4 N4 Si4 -","4","1","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0195","0.0185","","","0.0477","0.0481","","","","","","1.073","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026551","8.2568","0.0003","12.9481","0.0005","18.6506","0.0007","90","","90","","90","","1993.93","0.13","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Br N Si -","- C20 H28 Br N Si -","- C80 H112 Br4 N4 Si4 -","4","1","","Kaleb I. Jentzsch; Taewoo Min; Jennifer I. Etcheson; James C. Fettinger; Annaliese K. Franz","Silyl Fluoride Electrophiles for the Enantioselective Synthesis of Silylated Pyrrolidine Catalysts","Journal of Organic Chemistry","2011","76","","7065","7075","10.1021/jo200991q","","","0.71073","MoKα","","0.0254","0.0213","","","0.0512","0.053","","","","","","1.052","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026556","12.4653","0.0005","17.197","0.0007","17.6158","0.0008","90","","90","","90","","3776.2","0.3","100","","100","","","","","","","","water/acetone(1:1)","4","P 21 21 21","P 2ac 2ab","19","","cyclo-tris-((R)ethyl-1,5-triazol-2,6-pyridyl-amino-carbonyl) acetone dihydrate solute","","- C33 H37 N15 O6 -","- C33 H37 N15 O6 -","- C132 H148 N60 O24 -","4","1","","Martin R. Krause; Richard Goddard; Stefan Kubik","Anion-Binding Properties of a Cyclic Pseudohexapeptide Containing 1,5-Disubstituted 1,2,3-Triazole Subunits","Journal of Organic Chemistry","2011","76","","7084","7095","10.1021/jo201024r","","","1.54178","Cu-Kα","","0.0617","0.0558","","","0.1413","0.1456","","","","","","1.143","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026560","7.2444","0.0002","8.4332","0.0003","27.215","0.0009","90","0.005","90","0.005","90","0.005","1662.66","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O9 -","- C15 H19 N O9 -","- C60 H76 N4 O36 -","4","1","","Carlos Aydillo; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina; María M. Zurbano","A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid","Journal of Organic Chemistry","2011","76","","6990","6996","10.1021/jo201067n","","","0.71069","MoKα","","0.0593","0.0422","","","0.0848","0.0919","","","","","","1.041","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026561","7.2387","0.0003","8.1145","0.0004","23.705","0.001","90","","90","","90","","1392.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","c450-2","","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C52 H68 N4 O28 -","4","1","","Carlos Aydillo; Gonzalo Jiménez-Osés; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina; María M. Zurbano","A Domino Michael/Dieckmann Process as an Entry to α-(Hydroxymethyl)glutamic Acid","Journal of Organic Chemistry","2011","76","","6990","6996","10.1021/jo201067n","","","0.71069","MoKα","","0.0564","0.0442","","","0.1006","0.107","","","","","","1.042","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026571","7.847","0.001","14.306","0.001","19.458","0.002","90","0.005","90","0.005","90","0.005","2184.3","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 S -","- C20 H26 N2 O4 S -","- C80 H104 N8 O16 S4 -","4","1","","Gianna Reginato; Bernardo Pezzati; Andrea Ienco; Gabriele Manca; Andrea Rossin; Alessandro Mordini","Synthesis of Enantiomerically Enriched Amino Sulfide Building Blocks from Acyclic Chiral Amino Allylsilanes","Journal of Organic Chemistry","2011","76","","7415","7422","10.1021/jo2010878","","x-ray","0.71069","MoKα","","0.1233","0.045","","","0.104","0.1215","","","","","","0.813","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026572","8.112","0.011","12.822","0.019","16.77","0.02","90","","90","","90","","1744","4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl N O3 -","- C19 H18 Cl N O3 -","- C76 H72 Cl4 N4 O12 -","4","1","","Yao-Zong Liu; Jie Zhang; Peng-Fei Xu; Yong-Chun Luo","Organocatalytic Asymmetric Michael Addition of 1-Acetylindolin-3-ones to α,β-Unsaturated Aldehydes: Synthesis of 2-Substituted Indolin-3-ones","Journal of Organic Chemistry","2011","76","","7551","7555","10.1021/jo201123p","","","0.71073","MoKα","","0.1578","0.0544","","","0.0499","0.0642","","","","","","0.967","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026575","5.2154","0.0003","11.7483","0.0006","21.7737","0.0015","90","","90","","90","","1334.12","0.14","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4S,5R)-5-(benzyloxy)-4-methyl-1,2,3-oxathiazepane 2,2-dioxide","","- C12 H17 N O4 S -","- C12 H17 N O4 S -","- C48 H68 N4 O16 S4 -","4","1","","Guillaume Malik; Audrey Estéoule; Pascal Retailleau; Philippe Dauban","Aziridines from Intramolecular Alkene Aziridination of Sulfamates: Reactivity toward Carbon Nucleophiles. Application to the Synthesis of Spisulosine and Its Fluoro Analogue","Journal of Organic Chemistry","2011","76","","7438","7448","10.1021/jo201209x","","","1.54187","CuKα","","0.0954","0.0664","","","0.1615","0.2044","","","","","","1.203","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026576","8.481","0.0004","11.2846","0.0005","15.6157","0.0011","90","","90","","90","","1494.5","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(4S,5R)-5-fluoro-4-methyl-3-tosyl-1,2,3-oxathiazepane 2,2-dioxide","","- C12 H16 F N O5 S2 -","- C12 H16 F N O5 S2 -","- C48 H64 F4 N4 O20 S8 -","4","1","","Guillaume Malik; Audrey Estéoule; Pascal Retailleau; Philippe Dauban","Aziridines from Intramolecular Alkene Aziridination of Sulfamates: Reactivity toward Carbon Nucleophiles. Application to the Synthesis of Spisulosine and Its Fluoro Analogue","Journal of Organic Chemistry","2011","76","","7438","7448","10.1021/jo201209x","","","1.54187","CuKα","","0.0413","0.0353","","","0.0897","0.1081","","","","","","1.095","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026578","8.4419","0.0005","13.7473","0.0008","24.4406","0.0014","90","","90","","90","","2836.4","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Cl N2 Si2 -","- C25 H37 Cl N2 Si2 -","- C100 H148 Cl4 N8 Si8 -","4","1","","Abigail Albright; Daniel Eddings; Regina Black; Christopher J. Welch; Nikolay N. Gerasimchuk; Robert E. Gawley","Design and Synthesis of C2-Symmetric N-Heterocyclic Carbene Precursors and Metal Carbenoids","Journal of Organic Chemistry","2011","76","","7341","7351","10.1021/jo2012434","","","0.71073","","","0.0441","0.0354","","","0.0961","0.1101","","","","","","1.15","","","","has coordinates","178444","2020-10-21","18:00:00",""
"4026582","8.41","0.0017","10.721","0.002","15.596","0.003","90","","90","","90","","1406.2","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N4 O -","- C16 H16 N4 O -","- C64 H64 N16 O4 -","4","1","","Na Shao; Guang-Xian Pang; Cai-Xia Yan; Gao-Feng Shi; Ying Cheng","Reaction of β-Lactam Carbenes with 2-Pyridyl Isonitriles: A One-Pot Synthesis of 2-Carbonyl-3-(pyridylamino)imidazo[1,2-a]pyridines Useful as Fluorescent Probes for Mercury Ion","Journal of Organic Chemistry","2011","76","","7458","7465","10.1021/jo201273p","","","0.71073","MoKα","","0.042","0.0403","","","0.0956","0.097","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026595","9.184","0.0012","9.445","0.0013","26.482","0.003","90","","90","","90","","2297.1","0.5","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br N O3 P S -","- C23 H21 Br N O3 P S -","- C92 H84 Br4 N4 O12 P4 S4 -","4","1","","Peizhong Xie; Liye Wang; Lihua Yang; Erqing Li; Jianze, Ma; You Huang; Ruyu Chen","Domino Reaction for the Chemo- and Stereoselective Synthesis of trans-2,3-Dihydrobenzofurans from N-Thiophosphinyl Imines and Sulfur Ylides","Journal of Organic Chemistry","2011","76","","7699","7705","10.1021/jo2008737","","","0.71075","MoKα","","0.0354","0.0279","","","0.0523","0.0542","","","","","","0.897","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026626","4.47983","0.00016","16.7729","0.0006","29.5976","0.0012","90","","90","","90","","2223.96","0.14","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H19 N O5 -","- C30 H19 N O5 -","- C120 H76 N4 O20 -","4","1","","Jalindar Padwal; William Lewis; Christopher J. Moody","Synthesis of Balsaminone A, a Naturally Occurring Pentacyclic Dinaphthofuran Quinone","Journal of Organic Chemistry","2011","76","","8082","8087","10.1021/jo201395n","","","1.5418","CuKα","","0.0528","0.0472","","","0.127","0.131","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026632","10.1147","0.0002","15.1214","0.0002","17.1572","0.0003","90","","90","","90","","2624.17","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl3 N3 O2 -","- C26 H30 Cl3 N3 O2 -","- C104 H120 Cl12 N12 O8 -","4","1","","Emmanuel Riguet","Enantioselective Organocatalytic Friedel-Crafts Alkylation Reaction of Indoles with 5-Hydroxyfuran-2(5H)-one: Access to Chiral γ-Lactones and γ-Lactams via a Ugi 4-Center 3-Component Reaction","Journal of Organic Chemistry","2011","76","","8143","8150","10.1021/jo201184p","","","1.5418","CuKα","","0.0471","0.0407","","","0.1016","0.1071","","","","","","1.033","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026648","10.5653","0.0009","15.6361","0.0013","17.4361","0.0015","90","","90","","90","","2880.4","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[4-(9H-carbazol-9-yl)phenyl]-5-(2,4,6-triisopropylphenyl)-1,3,4-oxadiazole","","- C35 H35 N3 O -","- C35 H35 N3 O -","- C140 H140 N12 O4 -","4","1","","Yonghao Zheng; Andrei S. Batsanov; Vygintas Jankus; Fernando B. Dias; Martin R. Bryce; Andrew P. Monkman","Bipolar Molecules with High Triplet Energies: Synthesis, Photophysical, and Structural Properties","Journal of Organic Chemistry","2011","76","","8300","8310","10.1021/jo201488v","","","0.71073","MoKα","","0.0445","0.0392","","","0.0953","0.0986","","","","","","1.048","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026667","10.7435","0.0002","11.5651","0.0002","22.3115","0.0005","90","","90","","90","","2772.2","0.09","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 N5 O4 -","- C26 H43 N5 O4 -","- C104 H172 N20 O16 -","4","1","","Bret R. Van Ausdall; Nils F. Poth; Virginia A. Kincaid; Atta M. Arif; Janis Louie","Imidazolidene Carboxylate Bound MBPh4 Complexes (M = Li, Na) and Their Relevance in Transcarboxylation Reactions","Journal of Organic Chemistry","2011","76","","8413","8420","10.1021/jo201647b","","","0.71073","MoKα","","0.0624","0.0431","","","0.0871","0.0956","","","","","","1.038","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026670","7.2268","0.0003","9.4022","0.0003","22.4907","0.0009","90","","90","","90","","1528.19","0.1","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Brett D. Schwartz; Lorenzo V. White; Martin G. Banwell; Anthony C. Willis","Structure of the Lycorinine Alkaloid Nobilisitine A","Journal of Organic Chemistry","2011","76","","8560","8563","10.1021/jo2016899","","","0.71073","MoKα","","0.0444","0.0341","","0.0811","0.0758","0.0811","","","","","","0.9969","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026671","8.4886","0.0002","12.6225","0.0003","19.7837","0.0003","90","","90","","90","","2119.77","0.08","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O6 -","- C24 H23 N O6 -","- C96 H92 N4 O24 -","4","1","","Brett D. Schwartz; Lorenzo V. White; Martin G. Banwell; Anthony C. Willis","Structure of the Lycorinine Alkaloid Nobilisitine A","Journal of Organic Chemistry","2011","76","","8560","8563","10.1021/jo2016899","","","0.71073","MoKα","","0.0412","0.035","","0.0911","0.0868","0.0911","","","","","","0.9907","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026679","10.1084","0.0003","17.3007","0.0005","39.0695","0.0013","90","","90","","90","","6832.6","0.4","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C288 H480 O48 -","24","6","","Kai Hong; James P. Morken","Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility","Journal of Organic Chemistry","2011","76","","9102","9108","10.1021/jo201321k","","","1.54178","CuKα","","0.0574","0.054","","","0.1383","0.1405","","","","","","1.087","","","","has coordinates,has disorder","178445","2020-10-21","18:00:00",""
"4026680","6.6164","0.0002","8.4025","0.0002","23.1972","0.0007","90","","90","","90","","1289.63","0.06","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Kai Hong; James P. Morken","Catalytic Enantioselective Diboration of Cyclic Dienes. A Modified Ligand with General Utility","Journal of Organic Chemistry","2011","76","","9102","9108","10.1021/jo201321k","","","1.54178","CuKα","","0.0287","0.028","","","0.0732","0.074","","","","","","1.06","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026693","10.2257","0.0002","12.2274","0.0002","27.451","0.0006","90","","90","","90","","3432.3","0.12","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 Cl N3 -","- C43 H40 Cl N3 -","- C172 H160 Cl4 N12 -","4","1","","Benedikt Neue; Ralph Reiermann; Klaus Gerdes; Roland Fröhlich; Birgit Wibbeling; Ernst-Ulrich Würthwein","Ring Closure Reactions of 2,6-Diazaheptatrienyl Metal Compounds: Synthesis of 3-Aminoindole Derivatives and 14-Membered Macrocyclic Dimers","Journal of Organic Chemistry","2011","76","","8794","8806","10.1021/jo201521v","","","0.71073","MoKα","","0.1037","0.0499","","","0.0972","0.1152","","","","","","1.01","","","","has coordinates","178445","2020-10-21","18:00:00",""
"4026700","12.0031","0.0013","23.616","0.003","28.157","0.003","90","","90","","90","","7981.5","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 N5 O6 -","- C46 H43 N5 O6 -","- C368 H344 N40 O48 -","8","2","","Adjaci F. Uchoa; Kleber T. de Oliveira; Mauricio S. Baptista; Adailton J. Bortoluzzi; Yassuko Iamamoto; Osvaldo A. Serra","Chlorin Photosensitizers Sterically Designed To Prevent Self-Aggregation","Journal of Organic Chemistry","2011","76","","8824","8832","10.1021/jo201568n","","","0.71073","MoKα","","0.2681","0.1054","","","0.2588","0.3581","","","","","","0.95","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026701","5.5668","0.0008","8.5894","0.0013","27.73","0.004","90","","90","","90","","1325.9","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","","Dengfu Lu; Yirong Zhou; Yajun Li; Shaobai Yan; Yuefa Gong","Copper(II)-Catalyzed Asymmetric Henry Reaction of o-Alkynylbenzaldehydes Followed by Gold(I)-Mediated Cycloisomerization: An Enantioselective Route to Chiral 1H-Isochromenes and 1,3-Dihydroisobenzofurans","Journal of Organic Chemistry","2011","76","","8869","8878","10.1021/jo201596p","","","0.71073","MoKα","","0.1174","0.0683","","","0.097","0.1091","","","","","","1.024","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026723","7.939","0.002","13.091","0.003","16.816","0.004","90","","90","","90","","1747.7","0.7","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Ian R. Pottie; Penchal Reddy Nandaluru; Wendy L. Benoit; David O. Miller; Louise N. Dawe; Graham J. Bodwell","Synthesis of 6H-Dibenzo[b,d]pyran-6-ones Using the Inverse Electron Demand Diels-Alder Reaction","Journal of Organic Chemistry","2011","76","","9015","9030","10.1021/jo201775e","","","0.71075","MoKα","","0.0324","0.0323","","","0.083","0.0831","","","","","","1.061","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026727","6.5614","0.0018","10.965","0.003","26.383","0.008","90","","90","","90","","1898.1","0.9","108","2","108","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H92 Cl4 N16 O16 -","- C64 H92 Cl4 N16 O16 -","- C64 H92 Cl4 N16 O16 -","1","0.25","","Brendan Kelly; Daniel H. O'Donovan; John O'Brien; Thomas McCabe; Fernando Blanco; Isabel Rozas","Pyridin-2-yl Guanidine Derivatives: Conformational Control Induced by Intramolecular Hydrogen-Bonding Interactions","Journal of Organic Chemistry","2011","76","","9216","9227","10.1021/jo200954c","","","0.71075","MoKα","","0.0735","0.0521","","","0.1179","0.1827","","","","","","1.011","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026738","10.5934","0.0002","12.6294","0.0003","18.7414","0.0004","90","","90","","90","","2507.38","0.09","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4'-Benzoyl-2',4'-diphenylspiro[fluorene-9,3'-pyrrol]-5'(4'H)-one","","- C35 H23 N O2 -","- C35 H23 N O2 -","- C140 H92 N4 O8 -","4","1","","Alexander F. Khlebnikov; Mikhail S. Novikov; Viktoriia V. Pakalnis; Dmitry S. Yufit","Nonconcerted Cycloaddition of 2H-Azirines to Acylketenes: A Route to N-Bridgehead Heterocycles","Journal of Organic Chemistry","2011","76","","9344","9352","10.1021/jo201563b","","x-ray","0.71073","MoKα","K-L~3~","0.0566","0.0391","","","0.0864","0.0981","","","","","","1.036","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026744","7.7147","0.0013","12.9963","0.0012","18.83","0.006","90","","90","","90","","1887.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 B F4 N2 -","- C19 H23 B F4 N2 -","- C76 H92 B4 F16 N8 -","4","1","","Konstantin Troshin; Claus Schindele; Herbert Mayr","Electrophilicities of Symmetrically Substituted 1,3-Diarylallyl Cations","Journal of Organic Chemistry","2011","76","","9391","9408","10.1021/jo201668w","","","0.71073","MoKα","","0.0475","0.0364","","","0.0991","0.1097","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4026746","10.3126","0.0002","13.3307","0.0003","20.6168","0.0005","90","","90","","90","","2834.28","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2S,8aS)-2-bromo-1,2,3,5,8,8a-hexahydro-1-indolizinol","","- C8 H12 Br N O -","- C8 H12 Br N O -","- C96 H144 Br12 N12 O12 -","12","3","","Donatella Giomi; Renzo Alfini; Alessandra Micoli; Elisa Calamai; Cristina Faggi; Alberto Brandi","Synthesis of 1,2-Dihydroxyindolizidines from 1-(2-Pyridyl)-2-propen-1-ol","Journal of Organic Chemistry","2011","76","","9536","9541","10.1021/jo201830b","","x-ray","1.54178","CuKα","","0.0989","0.0471","","","0.0989","0.1211","","","","","","0.942","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026750","6.9022","0.0002","8.7137","0.0003","30.7371","0.0009","90","","90","","90","","1848.64","0.1","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7-dibenzyloxy-3-oxo-tetrahydro-pyrrolo[1,2-c]oxaza-5-carbonitrile","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Anna L. Win-Mason; Seino A. K. Jongkees; Stephen G. Withers; Peter C. Tyler; Mattie S. M. Timmer; Bridget L. Stocker","Stereoselective Total Synthesis of Aminoiminohexitols via Carbamate Annulation","Journal of Organic Chemistry","2011","76","","9611","9621","10.1021/jo201151b","","","0.71073","MoKα","","0.042587","0.035161","","","","0.07879","","","","","","1.05893","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026751","5.6331","0.0003","9.5901","0.0006","32.6895","0.0019","90","","90","","90","","1765.95","0.18","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6,7-dibenzyloxy-3-oxo-tetrahydro-pyrrolo[1,2-c]oxaza-5-carbonitrile","","- C21 H20 N2 O4 -","- C21 H20 N2 O4 -","- C84 H80 N8 O16 -","4","1","","Anna L. Win-Mason; Seino A. K. Jongkees; Stephen G. Withers; Peter C. Tyler; Mattie S. M. Timmer; Bridget L. Stocker","Stereoselective Total Synthesis of Aminoiminohexitols via Carbamate Annulation","Journal of Organic Chemistry","2011","76","","9611","9621","10.1021/jo201151b","","","0.71073","MoKα","","0.084563","0.051163","","","","0.102433","","","","","","0.976826","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026758","9.4472","0.0012","10.9829","0.0014","11.0176","0.0014","90","","90","","90","","1143.2","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","M. José Alves; Flora T. Costa; Vera C. M. Duarte; Antonio Gil Fortes; José A. Martins; Nuno M. Micaelo","Advances in the Synthesis of Homochiral (-)-1-Azafagomine and (+)-5-epi-1-Azafagomine. 1-N-Phenyl Carboxamide Derivatives of both Enantiomers of 1-Azafagomine: Leads for the Synthesis of Active α-Glycosidase Inhibitors.","Journal of Organic Chemistry","2011","76","","9584","9592","10.1021/jo201486q","","x-ray","0.7107","MoKα","","0.0348","0.0328","","","0.0833","0.0846","","","","","","1.083","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026761","5.324","0.0001","12.6918","0.0003","23.0937","0.0006","90","","90","","90","","1560.47","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cytospolide M","(1S,2R,5R,6S,7R,8R)-6,7-dihydroxy-5,8-dimethyl-2- pentyl-3,11-dioxa-bicyclo[6.2.1]undecan-4-one","","- C15 H26 O5 -","- C15 H26 O5 -","- C60 H104 O20 -","4","1","","Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang","Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.","Journal of Organic Chemistry","2011","76","","9699","9710","10.1021/jo201755v","","","1.54178","CuKα","","0.0994","0.0568","","","0.151","0.181","","","","","","1.049","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026763","5.1139","0.0002","16.2267","0.0005","19.0927","0.0006","90","","90","","90","","1584.35","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cytospolide Q","(3R,4S,5S)-4-hydroxy-5-((2R,5S)-5-((R)-1-hydroxyhexyl)- tetrahydrofuran-2-yl)-3-methyl-dihydrofuran-2(3H)-one","","- C15 H26 O5 -","- C15 H26 O5 -","- C60 H104 O20 -","4","1","","Shan Lu; Peng Sun; Tiejun Li; Tibor Kurtán; Attila Mándi; Sándor Antus; Karsten Krohn; Siegfried Draeger; Barbara Schulz; Yanghua Yi; Ling Li; Wen Zhang","Bioactive Nonanolide Derivatives Isolated from the Endophytic Fungus Cytosporasp.","Journal of Organic Chemistry","2011","76","","9699","9710","10.1021/jo201755v","","","1.54178","CuKα","","0.0327","0.0311","","","0.0877","0.0892","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026766","6.903","0.002","12.849","0.004","22.305","0.007","90","","90","","90","","1978.4","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O8 -","- C21 H20 N2 O8 -","- C84 H80 N8 O32 -","4","1","","Douglass F. Taber; Sha Bai; Weiwei Tian","Synthesis of the Reported Structure of trans-Africanan-1α-ol","Journal of Organic Chemistry","2011","76","","9733","9737","10.1021/jo2018558","","","0.71073","MoKα","","0.0697","0.0494","","","0.1151","0.1281","","","","","","1.066","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026768","9.3034","0.0014","14.352","0.002","31.116","0.005","90","","90","","90","","4154.7","1.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O -","- C15 H23 N O -","- C180 H276 N12 O12 -","12","3","","Douglass F. Taber; Sha Bai; Weiwei Tian","Synthesis of the Reported Structure of trans-Africanan-1α-ol","Journal of Organic Chemistry","2011","76","","9733","9737","10.1021/jo2018558","","","0.71073","MoKα","","0.0804","0.0554","","","0.1185","0.1301","","","","","","1.032","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026791","8.3568","0.0003","14.9131","0.0005","20.9098","0.0007","90","","90","","90","","2605.9","0.15","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 N2 O5 -","- C28 H40 N2 O5 -","- C112 H160 N8 O20 -","4","1","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","1.54178","CuKα","","0.0422","0.037","","","0.0906","0.0939","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026792","12.746","0.003","12.818","0.003","20.796","0.005","90","","90","","90","","3397.6","1.4","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 Cl3 N2 O4 -","- C35 H41 Cl3 N2 O4 -","- C140 H164 Cl12 N8 O16 -","4","1","","Thomas P. Quinn; Philip D. Atwood; Joseph M. Tanski; Tyler F. Moore; J. Frantz Folmer-Andersen","Aza-Crown Macrocycles as Chiral Solvating Agents for Mandelic Acid Derivatives","Journal of Organic Chemistry","2011","76","","10020","10030","10.1021/jo2018203","","","0.71073","MoKα","","0.0673","0.0444","","","0.084","0.0933","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026794","6.283","0.002","10.821","0.002","36.211","0.003","90","","90","","90","","2461.9","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N5 O10 -","- C22 H27 N5 O10 -","- C88 H108 N20 O40 -","4","1","","Anatol P. Spork; Daniel Wiegmann; Markus Granitzka; Dietmar Stalke; Christian Ducho","Stereoselective Synthesis of Uridine-Derived Nucleosyl Amino Acids","Journal of Organic Chemistry","2011","76","","10083","10098","10.1021/jo201935w","","","0.71073","MoKα","","0.0674","0.0656","","","0.1333","0.134","","","","","","1.243","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026799","9.6498","0.0005","9.7688","0.0004","16.9162","0.0008","90","","90","","90","","1594.64","0.13","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O5 S -","- C14 H19 N O5 S -","- C56 H76 N4 O20 S4 -","4","1","","Santosh J. Gharpure; J. V. K. Prasad","Stereoselective Synthesis of C-Substituted Morpholine Derivatives using Reductive Etherification Reaction: Total Synthesis of Chelonin C","Journal of Organic Chemistry","2011","76","","10325","10331","10.1021/jo201975b","","","0.71073","MoKα","","0.0585","0.0407","","","0.0917","0.0993","","","","","","1.089","","","","has coordinates","178446","2020-10-21","18:00:00",""
"4026824","5.3633","0.0002","11.0398","0.0004","32.0423","0.0012","90","","90","","90","","1897.22","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","","Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling","Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis","Journal of Organic Chemistry","2012","77","","96","107","10.1021/jo201531j","","","0.71073","MoKα","","0.0975","0.0788","","","0.1756","0.1905","","","","","","1.21","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026830","6.9562","0.001","6.9956","0.001","34.129","0.005","90","","90","","90","","1660.8","0.4","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N3 O6 P -","- C15 H20 N3 O6 P -","- C60 H80 N12 O24 P4 -","4","1","","Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna","Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry","Journal of Organic Chemistry","2012","77","","684","689","10.1021/jo201735f","","","0.71073","MoKα","","0.0715","0.0505","","","0.0969","0.1045","","","","","","0.903","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026841","6.959","0.0015","17.159","0.003","19.174","0.004","90","","90","","90","","2289.6","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl2 N2 O4 -","- C23 H24 Cl2 N2 O4 -","- C92 H96 Cl8 N8 O16 -","4","1","","Xianyou Peng; Peijun Li; Yian Shi","Synthesis of (+)-Ambrisentan via Chiral Ketone-Catalyzed Asymmetric Epoxidation","Journal of Organic Chemistry","2012","77","","701","703","10.1021/jo201927m","","","0.71073","MoKα","","0.0817","0.069","","","0.1113","0.118","","","","","","1.119","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026846","8.9649","0.0006","10.4999","0.0007","27.225","0.002","90","","90","","90","","2562.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl2 N O P Pd -","- C27 H30 Cl2 N O P Pd -","- C108 H120 Cl8 N4 O4 P4 Pd4 -","4","1","","Étienne Bélanger; Marie-France Pouliot; Marc-André Courtemanche; Jean-François Paquin","Design, Synthesis, and Applications of Potential Substitutes of t-Bu-Phosphinooxazoline in Pd-Catalyzed Asymmetric Transformations and Their Use for the Improvement of the Enantioselectivity in the Pd-Catalyzed Allylation Reaction of Fluorinated Allyl Enol Carbonates","Journal of Organic Chemistry","2012","77","","317","331","10.1021/jo2019653","","","1.54178","CuKα","","0.0164","0.0164","","","0.0451","0.0451","","","","","","1.079","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026849","7.0911","0.0008","10.8032","0.0012","34.798","0.005","90","","90","","90","","2665.8","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N O9 S2 -","- C27 H29 N O9 S2 -","- C108 H116 N4 O36 S8 -","4","1","","Wen-Ju Bai; Jason C. Green; Thomas R. R. Pettus","Total Syntheses of ent-Heliespirones A and C","Journal of Organic Chemistry","2012","77","","379","387","10.1021/jo201971g","","","0.71073","MoKα","","0.038","0.0363","","","0.0911","0.092","","","","","","1.09","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026851","7.7761","0.0001","11.0405","0.0002","39.4167","0.0007","90","","90","","90","","3384","0.1","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 O6 Si -","- C37 H48 O6 Si -","- C148 H192 O24 Si4 -","4","1","","Sanjay S. Palimkar; Jun'ichi Uenishi; Hiromi Ii","Total Synthesis and Biological Evaluation of (-)-Apicularen A and Its Analogues","Journal of Organic Chemistry","2012","77","","388","399","10.1021/jo2019762","","","1.54187","CuKα","","","0.0575","","","","0.1431","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026867","5.8808","0.0002","11.1665","0.0002","21.9865","0.0006","90","","90","","90","","1443.81","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Jennifer Peed; Iwan R. Davies; Lucy R. Peacock; James E. Taylor; Gabriele Kociok-Köhn; Steven D. Bull","Dihydroxylation-Based Approach for the Asymmetric Syntheses of Hydroxy-γ-butyrolactones","Journal of Organic Chemistry","2012","77","","543","555","10.1021/jo2021289","","","0.71073","MoKα","","0.0555","0.0408","","","0.0915","0.0981","","","","","","1.079","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026869","9.5539","0.0002","11.8301","0.0002","22.8098","0.0006","90","","90","","90","","2578.05","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br N2 O3 S2 -","- C27 H23 Br N2 O3 S2 -","- C108 H92 Br4 N8 O12 S8 -","4","1","","Alma Viso; Roberto Fernández de la Pradilla; Mercedes Ureña; Robert H. Bates; Miguel A. del Águila; Ignacio Colomer","An Approach to the Stereoselective Synthesis of Enantiopure Dihydropyrroles and Aziridines from a Common Sulfinyl-Sulfinamide Intermediate","Journal of Organic Chemistry","2012","77","","525","542","10.1021/jo202144k","","","1.54178","CuKα","","0.0238","0.0235","","","0.0592","0.0595","","","","","","1.081","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026925","10.927","0.003","12.053","0.003","16.003","0.004","90","","90","","90","","2107.6","0.9","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.0513","0.0369","","","0.0805","0.0877","","","","","","1.036","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026936","9.074","0.0003","11.6141","0.0003","21.7822","0.0006","90","","90","","90","","2295.55","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O5 -","- C24 H32 N2 O5 -","- C96 H128 N8 O20 -","4","1","","Christian F. Weise; Matthias C. Pischl; Andreas Pfaltz; Christoph Schneider","A General, Asymmetric, and Noniterative Synthesis of Trideoxypropionates. Straightforward Syntheses of the Pheromones (+)-Vittatalactone and (+)-Norvittatalactone","Journal of Organic Chemistry","2012","77","","1477","1488","10.1021/jo202330b","","","0.71073","MoKα","","0.0971","0.0373","","","0.0484","0.0545","","","","","","0.672","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026941","5.5058","0.0019","11.098","0.004","35.318","0.012","90","","90","","90","","2158","1.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O10 -","- C20 H25 N O10 -","- C80 H100 N4 O40 -","4","1","","Akiko Baba; Tadao Yoshioka","Complementary and Synergistic Roles in Enzyme-Catalyzed Regioselective and Complete Hydrolytic Deprotection of O-Acetylated β-d-Glucopyranosides of N-Arylacetohydroxamic Acids","Journal of Organic Chemistry","2012","77","","1675","1684","10.1021/jo202123s","","","0.71075","MoKα","","","0.051","","","","0.08","","","","","","0.989","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026944","8.3438","0.0012","12.5908","0.0017","19.305","0.003","90","","90","","90","","2028.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N S -","- C24 H29 N S -","- C96 H116 N4 S4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0902","0.0494","","","0.0931","0.1057","","","","","","0.848","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026945","7.3321","0.0009","15.2253","0.0018","18.502","0.002","90","","90","","90","","2065.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N S -","- C24 H29 N S -","- C96 H116 N4 S4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0997","0.0508","","","0.0958","0.1101","","","","","","0.812","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026946","8.5449","0.0009","8.6216","0.0008","27.256","0.003","90","","90","","90","","2008","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O -","- C26 H27 N O -","- C104 H108 N4 O4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.072","0.042","","","0.0878","0.0952","","","","","","0.861","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026947","8.1652","0.0008","8.6326","0.0009","27.024","0.003","90","","90","","90","","1904.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0565","0.0463","","","0.1135","0.1186","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026952","8.223","0.0014","8.9887","0.0015","17.94","0.003","90","","90","","90","","1326","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O -","- C18 H16 O -","- C72 H64 O4 -","4","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0432","0.0373","","","0.0831","0.0858","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026958","7.0943","0.0007","14.9317","0.0014","18.0186","0.0017","90","","90","","90","","1908.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-tert-butyl 3-(5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-ylidene)_ -2-oxopyrrolidine-1-carboxylate","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","","Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci","Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain","Journal of Organic Chemistry","2012","77","","1738","1748","10.1021/jo2022263","","","0.71073","MoKα","","0.0592","0.0451","","","0.114","0.1189","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026988","8.8063","0.0007","12.8761","0.001","19.984","0.0016","90","","90","","90","","2266","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O2 Pd -","- C24 H30 N2 O2 Pd -","- C96 H120 N8 O8 Pd4 -","4","1","","Jeffrey S. Cannon; James H. Frederich; Larry E. Overman","Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2012","77","","1939","1951","10.1021/jo2025724","","","0.71073","MoKα","","0.0165","0.016","","","0.0416","0.0419","","","","","","1.066","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4026998","10.1338","0.0009","10.1569","0.0009","16.9149","0.0015","90","","90","","90","","1741","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O3 S -","- C19 H20 N2 O3 S -","- C76 H80 N8 O12 S4 -","4","1","","Eri Kanno; Kenichi Yamanoi; Shunsuke Koya; Isao Azumaya; Hyuma Masu; Ryu Yamasaki; Shinichi Saito","[5 + 2] Cycloaddition Reaction of 2-Vinylaziridines and Sulfonyl Isocyanates. Synthesis of Seven-Membered Cyclic Ureas","Journal of Organic Chemistry","2012","77","","2142","2148","10.1021/jo201959a","","","0.71073","MoKα","","0.0376","0.0325","","","0.0729","0.0762","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027000","7.9762","0.0002","13.5692","0.0005","14.1525","0.0005","90","","90","","90","","1531.73","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 I2 N O3 -","- C11 H17 I2 N O3 -","- C44 H68 I8 N4 O12 -","4","1","","Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez","Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides","Journal of Organic Chemistry","2012","77","","2149","2158","10.1021/jo202130e","","","0.71073","MoKα","","0.0257","0.0227","","","0.0452","0.0463","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027026","5.9681","0.0002","10.2367","0.0005","14.6203","0.0008","90","","90","","90","","893.21","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-Hydroxy-2,2-dimethyl-3-(S)-tetrahydrofuran-2-yl)propanal","","- C9 H16 O3 -","- C9 H16 O3 -","- C36 H64 O12 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0375","0.0352","","","0.0868","0.0881","","","","","","1.082","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027027","10.864","0.002","13.608","0.003","15.939","0.003","90","","90","","90","","2356.4","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-Hydroxy-2,2-dimethyl-3-((4R, 5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl) propanal","","- C11 H20 O4 -","- C11 H20 O4 -","- C88 H160 O32 -","8","2","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0374","0.0357","","","0.0988","0.0998","","","","","","1.116","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027028","8.6771","0.0003","10.9779","0.0003","16.9366","0.0005","90","","90","","90","","1613.32","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-Hydroxy-2,2-dimethyl-3-((4R, 4'R, 5R)-2,2,2',2' -tetramethyl-4,4'-bi(1,3-dioxolan)-5-yl)propanal","","- C15 H26 O6 -","- C15 H26 O6 -","- C60 H104 O24 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0414","0.0347","","","0.0869","0.0893","","","","","","1.019","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027033","7.9057","0.0016","9.811","0.002","19.575","0.005","90","","90","","90","","1518.3","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1(R)-((4R,5S)-4-(Hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl) ((4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl)methanol","","- C14 H26 O6 -","- C14 H26 O6 -","- C56 H104 O24 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0524","0.0441","","","0.1258","0.1323","","","","","","1.182","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027035","6.6073","0.0002","10.3686","0.0004","15.9951","0.0004","90","","90","","90","","1095.8","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0398","0.0365","","","0.0937","0.0954","","","","","","1.069","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027036","8.7936","0.0007","8.8297","0.0009","20.9298","0.001","90","","90","","90","","1625.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Br O4 -","- C17 H21 Br O4 -","- C68 H84 Br4 O16 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0451","0.0404","","","0.0811","0.0924","","","","","","1.15","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027037","7.3165","0.0003","9.6178","0.0003","26.2338","0.0009","90","","90","","90","","1846.04","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 O6 Si -","- C16 H30 O6 Si -","- C64 H120 O24 Si4 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0502","0.0449","","","0.1103","0.1127","","","","","","1.033","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027058","13.2682","0.0014","13.7288","0.0014","17.4654","0.0018","90","","90","","90","","3181.4","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 S4 Si4 -","- C26 H34 S4 Si4 -","- C104 H136 S16 Si16 -","4","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.0333","0.0288","","","0.073","0.0752","","","","","","1.041","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027066","6.611","0.003","14.222","0.006","20.57","0.009","90","","90","","90","","1934","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br N2 O4 -","- C21 H17 Br N2 O4 -","- C84 H68 Br4 N8 O16 -","4","1","","Jian-Fei Bai; Liang-Liang Wang; Lin Peng; Yun-Long Guo; Li-Na Jia; Fang Tian; Guang-Yun He; Xiao-Ying Xu; Li-Xin Wang","Asymmetric Michael Addition of α-Substituted Isocyanoacetates with Maleimides Catalyzed by Chiral Tertiary Amine Thiourea","Journal of Organic Chemistry","2012","77","","2947","2953","10.1021/jo2025288","","","0.71073","MoKα","","0.143","0.0952","","","0.2499","0.279","","","","","","1.125","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027067","9.1977","0.0012","10.4095","0.0013","21.851","0.003","90","","90","","90","","2092.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O2 S -","- C25 H26 N2 O2 S -","- C100 H104 N8 O8 S4 -","4","1","","Jian-Fei Bai; Liang-Liang Wang; Lin Peng; Yun-Long Guo; Li-Na Jia; Fang Tian; Guang-Yun He; Xiao-Ying Xu; Li-Xin Wang","Asymmetric Michael Addition of α-Substituted Isocyanoacetates with Maleimides Catalyzed by Chiral Tertiary Amine Thiourea","Journal of Organic Chemistry","2012","77","","2947","2953","10.1021/jo2025288","","","0.71073","MoKα","","0.0449","0.0349","","","0.0763","0.0803","","","","","","1.044","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027077","8.7283","0.0001","12.0028","0.0002","23.2475","0.0004","90","","90","","90","","2435.5","0.06","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br Cl2 N2 O3 -","- C27 H23 Br Cl2 N2 O3 -","- C108 H92 Br4 Cl8 N8 O12 -","4","1","","Eider Aranzamendi; Nuria Sotomayor; Esther Lete","Brønsted Acid Catalyzed Enantioselective α-Amidoalkylation in the Synthesis of Isoindoloisoquinolines","Journal of Organic Chemistry","2012","77","","2986","2991","10.1021/jo3000223","","","1.54184","CuKα","","0.0406","0.037","","","0.0933","0.0963","","","","","","1.026","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027081","5.488","0.0004","15.46","0.001","28.8777","0.0017","90","","90","","90","","2450.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F2 O3 S2 -","- C28 H24 F2 O3 S2 -","- C112 H96 F8 O12 S8 -","4","1","","José Luis García Ruano; José Antonio Fernández-Salas; M. Carmen Maestro","Stereocontrolled Fluorobenzylation of Vinyl Sulfones and α,β-Unsaturated Esters Mediated by a Remote Sulfinyl Group. Synthesis of Functionalized Enantiomerically Pure Benzylic Fluorides","Journal of Organic Chemistry","2012","77","","2893","2900","10.1021/jo300174k","","","0.71073","MoKα","","0.081","0.0491","","","0.1062","0.1497","","","","","","1.148","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027084","8.5546","0.00018","10.315","0.0003","20.8151","0.0005","90","","90","","90","","1836.74","0.08","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0293","","","","0.0761","","","","","","1.097","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027085","5.61505","0.00011","13.7153","0.0003","23.8616","0.0005","90","","90","","90","","1837.63","0.07","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N O3 S -","- C21 H16 Cl N O3 S -","- C84 H64 Cl4 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.03","","","","0.0739","","","","","","1.084","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027086","5.75921","0.0001","13.2454","0.0003","23.194","0.0005","90","","90","","90","","1769.31","0.06","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C84 H64 F4 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0303","","","","0.0773","","","","","","1.095","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027087","5.48038","0.00011","14.4143","0.0004","24.5178","0.0006","90","","90","","90","","1936.8","0.08","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 F3 N O3 S -","- C22 H16 F3 N O3 S -","- C88 H64 F12 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0317","","","","0.079","","","","","","1.092","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027088","6.2974","0.0004","7.9135","0.0005","36.77","0.002","90","","90","","90","","1832.41","0.19","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0469","","","","0.1079","","","","","","0.991","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027089","5.9669","0.0002","8.5395","0.0003","36.8188","0.0013","90","","90","","90","","1876.08","0.11","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0651","","","","0.1562","","","","","","1.143","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027091","6.36452","0.00014","8.11463","0.00018","34.3132","0.0008","90","","90","","90","","1772.13","0.07","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C84 H64 F4 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0315","","","","0.0795","","","","","","1.062","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027100","5.9603","0.0004","7.9818","0.0005","40.339","0.003","90","","90","","90","","1919.1","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 N S3 -","- C24 H15 N S3 -","- C96 H60 N4 S12 -","4","1","","Shin-ichiro Kato; Satoru Shimizu; Hiroaki Taguchi; Atsushi Kobayashi; Seiji Tobita; Yosuke Nakamura","Synthesis and Electronic, Photophysical, and Electrochemical Properties of a Series of Thienylcarbazoles","Journal of Organic Chemistry","2012","77","","3222","3232","10.1021/jo202625p","","","0.7107","MoKα","","0.0376","0.0368","","","0.1016","0.1019","","","","","","1.181","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027101","9.7746","0.0005","26.4346","0.0016","28.6784","0.0019","90","","90","","90","","7410.1","0.8","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H21 N S4 -","- C30 H21 N S4 -","- C360 H252 N12 S48 -","12","3","","Shin-ichiro Kato; Satoru Shimizu; Hiroaki Taguchi; Atsushi Kobayashi; Seiji Tobita; Yosuke Nakamura","Synthesis and Electronic, Photophysical, and Electrochemical Properties of a Series of Thienylcarbazoles","Journal of Organic Chemistry","2012","77","","3222","3232","10.1021/jo202625p","","","0.7107","MoKα","","0.064","0.0589","","","0.1083","0.1101","","","","","","1.181","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027104","8.5749","0.0006","11.5138","0.0008","43.232","0.003","90","","90","","90","","4268.3","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H63 N O5 Si -","- C46 H63 N O5 Si -","- C184 H252 N4 O20 Si4 -","4","1","","Christian C. Ventocilla; K. A. Woerpel","Synthesis of Silyloxy Dienes by Silylene Transfer to Divinyl Ketones: Application to the Asymmetric Synthesis of Substituted Cyclohexanes","Journal of Organic Chemistry","2012","77","","3277","3283","10.1021/jo202650k","","","0.71073","MoKα","","0.0581","0.0531","","","0.1439","0.1477","","","","","","1.088","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027113","9.959","0.003","10.162","0.003","20.434","0.005","90","","90","","90","","2068","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br N2 O2 S -","- C20 H23 Br N2 O2 S -","- C80 H92 Br4 N8 O8 S4 -","4","1","","Wenjin Yan; Dong Wang; Jingchao Feng; Peng Li; Rui Wang","Zinc-Mediated Diastereoselective Synthesis of 3-Amino Oxindoles by Addition of Methyl and Terminal Alkynes to N-tert-Butanesulfinyl Ketimines","Journal of Organic Chemistry","2012","77","","3311","3317","10.1021/jo300110a","","","0.71073","MoKα","","0.1614","0.0749","","","0.1967","0.2529","","","","","","1.012","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027114","10.0888","0.0017","16.229","0.003","19.287","0.004","90","","90","","90","","3157.9","1","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H33 Fe N3 P2 -","- C38 H33 Fe N3 P2 -","- C152 H132 Fe4 N12 P8 -","4","1","","Takashi Konno; Kenta Shimizu; Kenichi Ogata; Shin-ichi Fukuzawa","Rhodium-Catalyzed Enantioselective Hydrogenation of Unsaturated Phosphonates by Click Ferrophos Ligands","Journal of Organic Chemistry","2012","77","","3318","3324","10.1021/jo300129m","","","0.71075","MoKα","","","0.0406","","","","0.1038","","","","","","0.805","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027118","9.8475","0.0006","11.6751","0.0007","19.0604","0.0011","90","","90","","90","","2191.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O3 -","- C24 H33 N O3 -","- C96 H132 N4 O12 -","4","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","0.71073","MoKα","","0.0469","0.0351","","","0.0797","0.0867","","","","","","1.034","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027119","8.3064","0.0005","11.8273","0.0007","26.9582","0.0017","90","","90","","90","","2648.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 F3 N O3 -","- C30 H34 F3 N O3 -","- C120 H136 F12 N4 O12 -","4","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","0.71073","MoKα","","0.0491","0.039","","","0.0899","0.0961","","","","","","1.035","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027120","5.5725","0.0001","18.1754","0.0003","26.6342","0.0004","90","","90","","90","","2697.58","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O3 -","- C33 H37 N O3 -","- C132 H148 N4 O12 -","4","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","1.54178","CuKα","","0.0329","0.0314","","","0.0826","0.0837","","","","","","1.026","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027152","9.4223","0.0004","12.535","0.0007","14.9465","0.0008","90","","90","","90","","1765.31","0.16","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cl O3 -","- C18 H21 Cl O3 -","- C72 H84 Cl4 O12 -","4","1","","Yangbin Liu; Xiaohua Liu; Min Wang; Peng He; Lili Lin; Xiaoming Feng","Enantioselective Synthesis of 3,4-Dihydropyran Derivatives via Organocatalytic Michael Reaction of α,β-Unsaturated Enones","Journal of Organic Chemistry","2012","77","","4136","4142","10.1021/jo3001047","","","0.7107","MoKα","","0.0708","0.0465","","","0.0871","0.1","","","","","","1.05","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027155","10.15","0.006","13.718","0.008","26.178","0.015","90","","90","","90","","3645","4","223.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O8 -","- C18 H24 O8 -","- C144 H192 O64 -","8","2","","Jaideep Saha; Chris Lorenc; Bikash Surana; Mark W. Peczuh","Discovery of a Phosphine-Mediated Cycloisomerization of Alkynyl Hemiketals: Access to Spiroketals and Dihydropyrazoles via Tandem Reactions","Journal of Organic Chemistry","2012","77","","3846","3858","10.1021/jo3001854","","","0.71075","MoKα","","","0.0765","","","","0.1871","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027159","8.992","0.009","12.614","0.012","17.079","0.016","90","","90","","90","","1937","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Silvia Padilla; Javier Adrio; Juan C. Carretero","Au-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Isocyanoacetates with Maleimides","Journal of Organic Chemistry","2012","77","","4161","4166","10.1021/jo3003425","","","0.71073","MoKα","","0.1337","0.0822","","","0.195","0.2338","","","","","","1","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027162","7.2538","0.0003","11.4105","0.0006","17.027","0.0008","90","","90","","90","","1409.32","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Cl F N -","- C14 H21 Cl F N -","- C56 H84 Cl4 F4 N4 -","4","1","","Julia A. Kalow; Dana E. Schmitt; Abigail G. Doyle","Synthesis of β-Fluoroamines by Lewis Base Catalyzed Hydrofluorination of Aziridines","Journal of Organic Chemistry","2012","77","","4177","4183","10.1021/jo300433a","","","1.54178","CuKα","","0.0199","0.0198","","","0.06","0.0601","","","","","","1.085","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027163","9.254","0.003","13.146","0.004","14.214","0.004","90","","90","","90","","1729.2","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0542","0.0427","","","0.1018","0.1082","","","","","","1.026","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027164","8.955","0.006","12.502","0.008","14.974","0.008","90","","90","","90","","1676.4","1.8","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.1185","0.0619","","","0.1206","0.1394","","","","","","1.02","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027165","8.0971","0.0019","13.771","0.003","16.156","0.004","90","","90","","90","","1801.5","0.7","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Br N O2 S -","- C17 H22 Br N O2 S -","- C68 H88 Br4 N4 O8 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0605","0.037","","","0.0694","0.0758","","","","","","1.036","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027167","8.0082","0.0011","14.727","0.002","14.749","0.002","90","","90","","90","","1739.4","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.077","0.0527","","","0.1179","0.1301","","","","","","1.032","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027176","7.4418","0.0009","9.7027","0.0012","16.862","0.002","90","","90","","90","","1217.5","0.3","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N O2 S -","- C11 H17 N O2 S -","- C44 H68 N4 O8 S4 -","4","1","","Xiaofei Sun; Xingzhao Tu; Chuan Dai; Xiaoping Zhang; Binbin Zhang; Qingle Zeng","Palladium-Catalyzed C-N Cross Coupling of Sulfinamides and Aryl Halides","Journal of Organic Chemistry","2012","77","","4454","4459","10.1021/jo3003584","","","0.7107","MoKα","","0.0576","0.0428","","","0.0836","0.0916","","","","","","1.099","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027183","9.543","0.012","10.96","0.013","27.61","0.03","90","","90","","90","","2888","6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Br Cl2 N O3 -","- C31 H32 Br Cl2 N O3 -","- C124 H128 Br4 Cl8 N4 O12 -","4","1","","Jing Nie; Ming-Qing Hua; Heng-Ying Xiong; Yan Zheng; Jun-An Ma","Asymmetric Phase-Transfer-Catalyzed Conjugate Addition of Glycine Imine to Exocyclic α,β-Unsaturated Ketones: Construction of Polycyclic Imines Containing Three Stereocenters","Journal of Organic Chemistry","2012","77","","4209","4216","10.1021/jo300500r","","","0.71073","MoKα","","0.1514","0.1261","","","0.3521","0.3733","","","","","","1.301","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027200","8.413","0.004","11.5095","0.0013","21.036","0.003","90","","90","","90","","2036.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O2 S -","- C23 H24 N2 O2 S -","- C92 H96 N8 O8 S4 -","4","1","","Damien Cartigny; Farouk Berhal; Takuto Nagano; Phannarath Phansavath; Tahar Ayad; Jean-Pierre Genêt; Takashi Ohshima; Kazushi Mashima; Virginie Ratovelomanana-Vidal","General Asymmetric Hydrogenation of 2-Alkyl- and 2-Aryl-Substituted Quinoxaline Derivatives Catalyzed by Iridium-Difluorphos: Unusual Halide Effect and Synthetic Application","Journal of Organic Chemistry","2012","77","","4544","4556","10.1021/jo300455y","","","1.54184","CuKα","","0.0442","0.0375","","","0.0972","0.1023","","","","","","1.032","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027204","11.0621","0.0005","17.185","0.0007","19.0239","0.0008","90","","90","","90","","3616.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H38 Br N2 P Pd -","- C45 H38 Br N2 P Pd -","- C180 H152 Br4 N8 P4 Pd4 -","4","1","","Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling","Journal of Organic Chemistry","2012","77","","4740","4750","10.1021/jo300548z","","","0.71073","MoKα","","0.0719","0.0462","","","0.0917","0.0995","","","","","","1.044","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027206","8.2495","0.0003","15.617","0.0005","21.9201","0.0006","90","","90","","90","","2824.02","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Cl2 N2 P Pd -","- C29 H35 Cl2 N2 P Pd -","- C116 H140 Cl8 N8 P4 Pd4 -","4","1","","Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling","Journal of Organic Chemistry","2012","77","","4740","4750","10.1021/jo300548z","","","0.71073","MoKα","","0.0347","0.0306","","","0.0687","0.0709","","","","","","1.017","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027241","8.66143","0.00018","8.7821","0.00017","11.5908","0.0002","90","","90","","90","","881.66","0.03","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 N O6 S -","- C6 H11 N O6 S -","- C24 H44 N4 O24 S4 -","4","1","","Vincent Gauchot; Andreea R. Schmitzer","Asymmetric Aldol Reaction Catalyzed by the Anion of an Ionic Liquid","Journal of Organic Chemistry","2012","77","","4917","4923","10.1021/jo300737u","","","1.54178","CuKα","","0.0229","0.0225","","","0.0615","0.0618","","","","","","1.092","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027252","7.7016","0.0003","13.849","0.0005","26.611","0.0011","90","","90","","90","","2838.31","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O7 -","- C32 H41 N O7 -","- C128 H164 N4 O28 -","4","1","","Alexey Yu. Sukhorukov; Yaroslav D. Boyko; Yulia V. Nelyubina; Stephane Gerard; Sema L. Ioffe; Vladimir A. Tartakovsky","Synthesis of PDE IVb Inhibitors. 3. Synthesis of (+)-, (-)-, and (\±)-7-[3-(Cyclopentyloxy)-4-methoxyphenyl]hexahydro-3H-pyrrolizin-3-one via Reductive Domino Transformations of 3-β-Carbomethoxyethyl-Substituted Six-Membered Cyclic Nitronates","Journal of Organic Chemistry","2012","77","","5465","5469","10.1021/jo300955n","","","0.71073","MoKα","","0.0402","0.034","","","0.0816","0.0857","","","","","","1.004","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027260","6.465","0.004","6.493","0.004","17.064","0.008","90","","90","","90","","716.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","aziridino-γ-lactone","(2aS,2a1R,5aS)-tetrahydro-2H-1,4-dioxa-3-thia-2b- azacyclopropa[hi]inden-2-one 3,3-dioxide","","- C5 H5 N O5 S -","- C5 H5 N O5 S -","- C20 H20 N4 O20 S4 -","4","1","","Marcelo Siqueira Valle; Mauricio Frota Saraiva; Pascal Retailleau; Mauro V. de Almeida; Robert H. Dodd","Rhodium-Catalyzed Intramolecular Formation of N-Sulfamoyl 2,3-Aziridino-γ-lactones and Their Use for the Enantiospecific Synthesis of α,β-Diamino Acid Derivatives","Journal of Organic Chemistry","2012","77","","5592","5599","10.1021/jo300468j","","","0.71073","MoKα","","0.0679","0.0647","","","0.1538","0.1553","","","","","","1.135","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027265","9.2588","0.0005","9.4467","0.0005","12.5446","0.0007","90","","90","","90","","1097.21","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0431","0.032","","","0.0751","0.0784","","","","","","0.969","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027269","6.1373","0.0002","10.5263","0.0004","30.6532","0.0013","90","","90","","90","","1980.29","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 O2 Si -","- C19 H36 O2 Si -","- C76 H144 O8 Si4 -","4","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0482","0.0344","","","0.0695","0.072","","","","","","0.92","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027271","5.8846","0.0004","9.0415","0.0005","26.2051","0.0014","90","","90","","90","","1394.26","0.14","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0552","0.0361","","","0.0696","0.0738","","","","","","0.894","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027278","7.646","0.012","8.221","0.013","24.74","0.04","90","","90","","90","","1555","4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Huaiji Zheng; Changgui Zhao; Bowen Fang; Peng Jing; Juan Yang; Xingang Xie; Xuegong She","Asymmetric Total Synthesis of Cladosporin and Isocladosporin","Journal of Organic Chemistry","2012","77","","5656","5663","10.1021/jo300805n","","","0.71073","MoKα","","0.0899","0.0554","","","0.1219","0.1416","","","","","","1.013","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027303","5.8205","0.0005","12.3343","0.0011","27.224","0.003","90","","90","","90","","1954.5","0.3","298","2","571","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl F N O -","- C19 H23 Cl F N O -","- C76 H92 Cl4 F4 N4 O4 -","4","1","","Bruno Anxionnat; Benoit Robert; Pascal George; Gino Ricci; Marc-Antoine Perrin; Domingo Gomez Pardo; Janine Cossy","Ring Expansion of Cyclic β-Amino Alcohols Induced by Diethylaminosulfur Trifluoride: Synthesis of Cyclic Amines with a Tertiary Fluorine at C3","Journal of Organic Chemistry","2012","77","","6087","6099","10.1021/jo300887u","","","0.71073","MoKα","","0.0598","0.0504","","","0.1599","0.1662","","","","","","1.137","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027322","11.283","0.002","15.681","0.003","22.336","0.005","90","","90","","90","","3951.9","1.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H48 B N O2 -","- C51 H48 B N O2 -","- C204 H192 B4 N4 O8 -","4","1","","Philip C. Bulman Page; Christopher J. Bartlett; Yohan Chan; David Day; Phillip Parker; Benjamin R. Buckley; Geracimos A. Rassias; Alexandra M. Z. Slawin; Steven M. Allin; Jérôme Lacour; André Pinto","Asymmetric Epoxidation Using Iminium Salt Organocatalysts Featuring Dynamically Controlled Atropoisomerism","Journal of Organic Chemistry","2012","77","","6128","6138","10.1021/jo300915u","","","0.71073","MoKα","","0.0895","0.0535","","","0.1053","0.12","","","","","","0.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027323","11.198","0.003","12.171","0.003","19.804","0.005","90","","90","","90","","2699.1","1.2","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O2 -","- C35 H33 N O2 -","- C140 H132 N4 O8 -","4","1","","Philip C. Bulman Page; Christopher J. Bartlett; Yohan Chan; David Day; Phillip Parker; Benjamin R. Buckley; Geracimos A. Rassias; Alexandra M. Z. Slawin; Steven M. Allin; Jérôme Lacour; André Pinto","Asymmetric Epoxidation Using Iminium Salt Organocatalysts Featuring Dynamically Controlled Atropoisomerism","Journal of Organic Chemistry","2012","77","","6128","6138","10.1021/jo300915u","","","0.71073","MoKα","","0.0669","0.0526","","","0.1188","0.1277","","","","","","0.978","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027324","11.458","0.002","17.247","0.003","27.663","0.006","90","","90","","90","","5466.7","1.8","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H58 B Cl6 N O2 -","- C62 H58 B Cl6 N O2 -","- C248 H232 B4 Cl24 N4 O8 -","4","1","","Philip C. Bulman Page; Christopher J. Bartlett; Yohan Chan; David Day; Phillip Parker; Benjamin R. Buckley; Geracimos A. Rassias; Alexandra M. Z. Slawin; Steven M. Allin; Jérôme Lacour; André Pinto","Asymmetric Epoxidation Using Iminium Salt Organocatalysts Featuring Dynamically Controlled Atropoisomerism","Journal of Organic Chemistry","2012","77","","6128","6138","10.1021/jo300915u","","","0.71073","MoKα","","0.3058","0.1056","","","0.2036","0.2796","","","","","","0.882","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027325","6.8825","0.0006","10.5619","0.0008","13.8053","0.0011","90","","90","","90","","1003.54","0.14","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Day-Shin Hsu; Shih-Chung Lin","Total Syntheses of Cladoacetals A and B: Confirmation of Absolute Configurations","Journal of Organic Chemistry","2012","77","","6139","6146","10.1021/jo300923e","","","0.71073","MoKα","","0.0543","0.048","","","0.0941","0.0967","","","","","","1.102","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027333","8.3399","0.0001","10.1614","0.0001","22.2832","0.0015","90","","90","","90","","1888.39","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O3 S -","- C19 H19 F3 N2 O3 S -","- C76 H76 F12 N8 O12 S4 -","4","1","","James C. Anderson; Lisa R. Horsfall; Andreas S. Kalogirou; Matthew R. Mills; Gregory J. Stepney; Graham J. Tizzard","Stereoselective Synthesis of Densely Functionalized Pyrrolidin-2-ones by a Conjugate Addition/Nitro-Mannich/Lactamization Reaction","Journal of Organic Chemistry","2012","77","","6186","6198","10.1021/jo301000r","","","1.54187","CuKα","","0.0253","0.0248","","","0.0635","0.0637","","","","","","1.058","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027334","6.34","0.001","8.649","0.0012","21.069","0.002","90","","90","","90","","1155.3","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","","Aidang Lu; Keling Hu; Youming Wang; Haibin Song; Zhenghong Zhou; Jianxin Fang; Chuchi Tang","Enantioselective Synthesis of trans-Dihydrobenzofurans via Primary Amine-Thiourea Organocatalyzed Intramolecular Michael Addition","Journal of Organic Chemistry","2012","77","","6208","6214","10.1021/jo301006e","","","1.54187","CuKα","","0.0703","0.0676","","","0.1428","0.1508","","","","","","1.122","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027340","17.699","0.002","17.699","0.002","5.8563","0.0004","90","","90","","90","","1834.5","0.3","200","0.2","200","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O3 S -","- C17 H27 N O3 S -","- C68 H108 N4 O12 S4 -","4","1","","Leleti Rajender Reddy; Kapa Prasad; Mahavir Prashad","A Protocol for an Asymmetric Synthesis of γ-Amino Acids","Journal of Organic Chemistry","2012","77","","6296","6301","10.1021/jo301177f","","","1.54184","CU-Kα","","0.068","0.063","","","0.173","0.182","","","","","","1.112","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4027357","7.8693","0.0009","11.3517","0.0012","17.9846","0.0017","90","","90","","90","","1606.6","0.3","183","","183","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 Fe -","- C18 H16 Br2 Fe -","- C72 H64 Br8 Fe4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0493","","","","0.1188","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027358","10.0011","0.0005","15.0572","0.0007","22.5214","0.0012","90","","90","","90","","3391.5","0.3","183","","183","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 Fe P2 -","- C42 H36 Fe P2 -","- C168 H144 Fe4 P8 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0463","","","","0.0748","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027359","7.4365","0.001","8.3916","0.0008","24.421","0.003","90","","90","","90","","1524","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br Fe -","- C18 H17 Br Fe -","- C72 H68 Br4 Fe4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0564","","","","0.1692","","","","","","1.064","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027360","9.3072","0.0011","20.213","0.003","20.551","0.003","90","","90","","90","","3866.2","0.9","203","","203","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 Fe2 Se2 -","- C42 H34 Fe2 Se2 -","- C168 H136 Fe8 Se8 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.1844","","","","0.2557","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027361","7.5254","0.0004","8.5763","0.0005","21.9048","0.001","90","","90","","90","","1413.74","0.13","183","","183","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Fe -","- C18 H18 Fe -","- C72 H72 Fe4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0277","","","","0.049","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027362","7.9189","0.0016","11.749","0.003","18.368","0.004","90","","90","","90","","1708.9","0.7","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Fe I2 -","- C18 H16 Fe I2 -","- C72 H64 Fe4 I8 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0298","","","","0.0675","","","","","","1.076","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027363","23.305","0.018","7.753","0.011","10.364","0.008","90","","90","","90","","1873","3","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Fe I2 N -","- C19 H19 Fe I2 N -","- C76 H76 Fe4 I8 N4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.7107","MoKα","","","0.0465","","","","0.0472","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027376","6.1718","0.0014","13.887","0.003","15.127","0.003","90","","90","","90","","1296.5","0.5","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Jia-Dai Zhai; Dongmei Li; Jing Long; Hao-Liang Zhang; Jian-Ping Lin; Chuan-Jiang Qiu; Quan Zhang; Yue Chen","Biomimetic Semisynthesis of Arglabin from Parthenolide","Journal of Organic Chemistry","2012","77","","7103","7107","10.1021/jo300888s","","","0.71073","MoKα","","0.0397","0.0316","","","0.0611","0.0629","","","","","","1.036","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027377","13.8975","0.0005","15.3683","0.0006","21.8526","0.0008","90","","90","","90","","4667.3","0.3","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C54 H52 Cl N2 O2 P Pd S -","- C54 H52 Cl N2 O2 P Pd S -","- C216 H208 Cl4 N8 O8 P4 Pd4 S4 -","4","1","","Yinhua Huang; Renta Jonathan Chew; Sumod A. Pullarkat; Yongxin Li; Pak-Hing Leung","Asymmetric Synthesis of Enaminophosphines via Palladacycle-Catalyzed Addition of Ph2PH to α,β-Unsaturated Imines","Journal of Organic Chemistry","2012","77","","6849","6854","10.1021/jo300893s","","","0.71073","MoKα","","0.0849","0.051","","","0.1101","0.1397","","","","","","1.051","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027389","9.308","0.0007","12.27","0.0009","31.682","0.002","90","","90","","90","","3618.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 N5 O9 S -","- C32 H39 N5 O9 S -","- C128 H156 N20 O36 S4 -","4","1","","Benito Alcaide; Pedro Almendros; Cristina Aragoncillo; Ricardo Callejo; M. Pilar Ruiz; M. Rosario Torres","Regio- and Diastereoselective Synthesis of β-Lactam-Triazole Hybrids via Passerini/CuAAC Sequence","Journal of Organic Chemistry","2012","77","","6917","6928","10.1021/jo301113g","","","0.71073","MoKα","","0.1424","0.0415","","","0.0678","0.0832","","","","","","0.989","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027401","9.5228","0.0001","9.7155","0.0001","22.5964","0.0003","90","","90","","90","","2090.59","0.04","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0321","0.0306","","","0.0789","0.0805","","","","","","1.063","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027402","10.5822","0.0006","13.911","0.0011","14.6147","0.0011","90","","90","","90","","2151.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl2 N O3 -","- C24 H23 Cl2 N O3 -","- C96 H92 Cl8 N4 O12 -","4","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.094","0.0625","","","0.1281","0.1669","","","","","","1.072","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027415","9.3871","0.0004","10.3132","0.0005","28.3675","0.0013","90","","90","","90","","2746.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Br N2 O -","- C33 H29 Br N2 O -","- C132 H116 Br4 N8 O4 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0288","0.0257","","","0.0611","0.0623","","","","","","1.023","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027417","5.562","0.0002","7.5197","0.0002","31.5189","0.001","90","","90","","90","","1318.26","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O -","- C15 H22 N2 O -","- C60 H88 N8 O4 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0321","0.032","","","0.0811","0.0812","","","","","","1.079","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027419","10.001","0.0002","12.0602","0.0002","23.3614","0.0004","90","","90","","90","","2817.71","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Br N2 O2 -","- C34 H31 Br N2 O2 -","- C136 H124 Br4 N8 O8 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0217","0.0215","","","0.0572","0.0574","","","","","","1.075","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027422","6.9421","0.0002","13.605","0.0003","15.4899","0.0004","90","","90","","90","","1462.98","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N2 O2 -","- C16 H22 N2 O2 -","- C64 H88 N8 O8 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0333","0.0325","","","0.083","0.0844","","","","","","1.037","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027423","11.203","","15.093","","27.684","","90","","90","","90","","4681","","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C91 H19 N O -","- C91 H19 N O -","- C364 H76 N4 O4 -","4","1","","Ling Ni; Wei-Wei Yang; Zong-Jun Li; Di Wu; Xiang Gao","Regioselective Oxazolination of C702- and Formation of cis-1 C70 Adduct with Respect to the Apical Pentagon","Journal of Organic Chemistry","2012","77","","7299","7306","10.1021/jo301017a","","","0.71073","MoKα","","0.0865","0.0578","","","0.1136","0.1279","","","","","","0.954","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027434","7.2525","0.0002","10.3974","0.0003","16.8918","0.0006","90","","90","","90","","1273.76","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 F N O -","- C14 H20 F N O -","- C56 H80 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0699","0.0523","","0.1357","0.1286","0.1357","","","","","","0.9633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027473","5.8634","0.0001","16.1936","0.0004","29.196","0.0002","90","","90","","90","","2772.15","0.09","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N2 O3 S2 -","- C29 H38 N2 O3 S2 -","- C116 H152 N8 O12 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.065","0.0424","","","0.079","0.1056","","","","","","1.181","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027474","6.285","0.001","17.836","0.003","27.578","0.003","90","","90","","90","","3091.5","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl3 N2 O5 S2 -","- C26 H31 Cl3 N2 O5 S2 -","- C104 H124 Cl12 N8 O20 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","0.71069","MoKα","","0.1087","0.0798","","","0.2019","0.2292","","","","","","1.04","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027476","5.7918","0.0001","17.1657","0.0005","25.058","0.0017","90","","90","","90","","2491.27","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O8 S2 -","- C22 H23 N3 O8 S2 -","- C88 H92 N12 O32 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.0895","0.0516","","","0.1204","0.1695","","","","","","1.215","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027500","8.898","0.0018","11.057","0.002","16.775","0.003","90","","90","","90","","1650.4","0.5","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O3 -","- C16 H26 N2 O3 -","- C64 H104 N8 O12 -","4","1","","Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin","Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters","Journal of Organic Chemistry","2012","77","","7901","7912","10.1021/jo301114k","","x-ray","1.54178","CuKα","","0.072","0.0407","","","0.1023","0.1147","","","","","","1.027","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027503","9.4989","0.0009","14.4181","0.0014","25.099","0.002","90","","90","","90","","3437.5","0.5","132","2","132","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Mo N O7 P -","- C36 H26 Mo N O7 P -","- C144 H104 Mo4 N4 O28 P4 -","4","1","","Zongjian Hu; Yuguang Li; Kai Liu; Qilong Shen","Bis(perfluoroalkyl) Phosphino-Oxazoline: A Modular, Stable, Strongly π-Accepting Ligand for Asymmetric Catalysis","Journal of Organic Chemistry","2012","77","","7957","7967","10.1021/jo3011717","","","0.71073","MoKα","","0.028","0.0257","","","0.062","0.063","","","","","","0.934","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027508","5.6966","0.0001","15.5167","0.0004","19.3507","0.0005","90","","90","","90","","1710.46","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Yukari Kondo; Noriyuki Suzuki; Masato Takahashi; Takuya Kumamoto; Hyuma Masu; Tsutomu Ishikawa","Enantioselective Construction of a Polyhydroxylated Pyrrolidine Skeleton from 3-Vinylaziridine-2-carboxylates: Synthesis of (+)-DMDP and a Potential Common Intermediate for (+)-Hyacinthacine A1and (+)-1-epi-Australine","Journal of Organic Chemistry","2012","77","","7988","7999","10.1021/jo301178b","","","1.54178","CuKα","","0.0312","0.0311","","","0.0842","0.0843","","","","","","1.056","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027522","7.36","0.002","8.125","0.003","20.588","0.007","90","","90","","90","","1231.2","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Bowen Fang; Huaiji Zheng; Changgui Zhao; Peng Jing; Huilin Li; Xingang Xie; Xuegong She","Synthesis of the Tetracyclic Core (ABCE Rings) of Daphenylline","Journal of Organic Chemistry","2012","77","","8367","8373","10.1021/jo301533f","","","0.71073","MoKα","","0.0604","0.0444","","","0.0881","0.0944","","","","","","1.034","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027535","10.3937","0.0013","10.5073","0.0013","25.914","0.003","90","","90","","90","","2830.1","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N O9 -","- C30 H37 N O9 -","- C120 H148 N4 O36 -","4","1","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","1.54178","CuKα","","0.1954","0.0603","","","0.1795","0.2478","","","","","","1.175","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027537","6.9969","0.0017","11.484","0.003","27.382","0.007","90","","90","","90","","2200.2","1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O8 -","- C23 H28 O8 -","- C92 H112 O32 -","4","1","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","0.71073","MoKα","","0.0511","0.0438","","","0.0906","0.0944","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027547","8.6065","0.0002","14.1372","0.0006","21.6104","0.0009","90","","90","","90","","2629.38","0.17","298","","298","2","","","","","","","Synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H39 F2 N O4 Si2 -","- C20 H39 F2 N O4 Si2 -","- C80 H156 F8 N4 O16 Si8 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.1003","0.0888","","","0.2369","0.2518","","","","","","1.068","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027548","9.943","0.0002","12.3857","0.0004","21.2265","0.0007","90","","90","","90","","2614.07","0.13","298","","298","2","","","","","","","Synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H41 F2 N O4 Si2 -","- C21 H41 F2 N O4 Si2 -","- C84 H164 F8 N4 O16 Si8 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.0682","0.0482","","","0.1034","0.1164","","","","","","1.044","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027549","6.1397","0.0001","10.0767","0.0003","31.8096","0.0011","90","","90","","90","","1967.99","0.1","298","","298","2","","","","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 F2 N O4 -","- C22 H23 F2 N O4 -","- C88 H92 F8 N4 O16 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.0682","0.053","","","0.1297","0.141","","","","","","1.049","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027550","6.4369","0.0002","10.2183","0.0002","21.4391","0.0007","90","","90","","90","","1410.14","0.07","298","","298","2","","","","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 F2 N O2 -","- C13 H23 F2 N O2 -","- C52 H92 F8 N4 O8 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.0509","0.0449","","","0.1229","0.1292","","","","","","1.054","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027561","10.116","0.005","11.267","0.006","16.714","0.004","90","","90","","90","","1905","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl N O5 -","- C23 H16 Cl N O5 -","- C92 H64 Cl4 N4 O20 -","4","1","","Sumit K. Ray; Pradeep K. Singh; Nagaraju Molleti; Vinod K. Singh","Enantioselective Synthesis of Coumarin Derivatives by PYBOX-DIPH-Zn(II) Complex Catalyzed Michael Reaction","Journal of Organic Chemistry","2012","77","","8802","8808","10.1021/jo301513x","","","0.71069","MoKα","","0.0633","0.0486","","","0.0986","0.1098","","","","","","1.077","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027578","8.032","0.004","13.461","0.006","16.37","0.008","90","","90","","90","","1769.9","1.5","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 O5 -","- C20 H27 O5 -","- C80 H108 O20 -","4","1","","Haoran Xue; Peddabuddi Gopal; Jiong Yang","Stereochemical Study of a Transannular Michael Reaction Cascade","Journal of Organic Chemistry","2012","77","","8933","8945","10.1021/jo301287z","","","1.54178","CuKα","","0.1025","0.0501","","","0.0779","0.0892","","","","","","1.005","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027592","8.073","0.007","17.079","0.014","18.725","0.015","90","","90","","90","","2582","4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N3 O S Si -","- C26 H33 N3 O S Si -","- C104 H132 N12 O4 S4 Si4 -","4","1","","Yu Peng; Yu-Man Dong; Ming Dong; Ya-Wen Wang","A Selective, Sensitive, Colorimetric, and Fluorescence Probe for Relay Recognition of Fluoride and Cu(II) Ions with ""Off-On-Off"" Switching in Ethanol-Water Solution","Journal of Organic Chemistry","2012","77","","9072","9080","10.1021/jo301548v","","","0.71073","MoKα","","0.1054","0.0772","","","0.1852","0.2119","","","","","","1.035","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027597","7.094","0.0003","10.3688","0.0004","16.6945","0.0008","90","","90","","90","","1227.99","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0475","0.0368","","","0.0825","0.0868","","","","","","1.306","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027599","7.2403","0.0015","9.903","0.002","17.387","0.004","90","","90","","90","","1246.7","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N -","- C16 H15 N -","- C64 H60 N4 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0866","0.0435","","","0.1029","0.1234","","","","","","0.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027614","8.1652","0.0006","12.6259","0.0009","14.254","0.0011","90","","90","","90","","1469.49","0.19","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O7 -","- C13 H18 O7 -","- C52 H72 O28 -","4","1","","Jennifer R. Mazzone; Charles K. Zercher","Syntheses of Papyracillic Acids: Application of the Tandem Chain Extension-Acylation Reaction","Journal of Organic Chemistry","2012","77","","9171","9178","10.1021/jo3017617","","","0.71073","MoKα","","0.0387","0.0326","","","0.0807","0.0851","","","","","","1.031","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027618","8.4399","0.0017","9.5116","0.0019","23.546","0.005","90","","90","","90","","1890.2","0.7","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.0499","0.0489","","","0.1241","0.1249","","","","","","1.144","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027629","8.6864","0.0005","17.6725","0.0012","20.2622","0.0013","90","","90","","90","","3110.5","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 N5 O8 -","- C27 H47 N5 O8 -","- C108 H188 N20 O32 -","4","1","","Diego Núñez-Villanueva; Lourdes Infantes; M. Teresa García-López; Rosario González-Muñiz; Mercedes Martín-Martínez","Azepane Quaternary Amino Acids As Effective Inducers of 310Helix Conformations","Journal of Organic Chemistry","2012","77","","9833","9839","10.1021/jo301379r","","","1.5418","CuKα","","0.0535","0.0523","","","0.1417","0.1433","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027630","10.4087","0.0004","11.763","0.0003","22.0902","0.0007","90","","90","","90","","2704.67","0.15","292","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 F2 N O Se -","- C15 H11 F2 N O Se -","- C120 H88 F16 N8 O8 Se8 -","8","2","","Shah Jaimin Balkrishna; Ch Durga Prasad; Piyush Panini; Michael R. Detty; Deepak Chopra; Sangit Kumar","Isoselenazolones as Catalysts for the Activation of Bromine: Bromolactonization of Alkenoic Acids and Oxidation of Alcohols","Journal of Organic Chemistry","2012","77","","9541","9552","10.1021/jo301486c","","","0.71073","MoKα","","0.0449","0.0312","","","0.0534","0.0563","","","","","","0.939","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027640","8.8316","0.0003","10.0485","0.0003","36.6755","0.001","90","","90","","90","","3254.74","0.17","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O7 Si -","- C34 H37 N O7 Si -","- C136 H148 N4 O28 Si4 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0322","0.0307","","","0.0837","0.0846","","","","","","1.052","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027645","11.312","0.0002","18.9201","0.0003","22.2551","0.0004","90","","90","","90","","4763.13","0.14","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H62 N6 O5 Si -","- C51 H62 N6 O5 Si -","- C204 H248 N24 O20 Si4 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0362","0.0343","","","0.0911","0.0924","","","","","","1.024","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027671","5.6171","0.0004","8.6157","0.0008","26.29","0.003","90","","90","","90","","1272.3","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Cristian Mollar; Carmen Ramirez de Arellano; Mercedes Medio-Simón; Gregorio Asensio","Switchable Palladium-Catalyst Reaction of Bromomethyl Sulfoxides, CO, and N-Nucleophiles: Aminocarbonylation at Csp3 versus Oxidative Carbonylation of Amines","Journal of Organic Chemistry","2012","77","","9693","9701","10.1021/jo301778n","","","0.71073","MoKα","","0.0401","0.0359","","","0.0852","0.0891","","","","","","1.085","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027692","9.7002","0.0003","13.0829","0.0003","21.7792","0.0006","90","","90","","90","","2763.93","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H25 Fe N5 O -","- C38 H25 Fe N5 O -","- C152 H100 Fe4 N20 O4 -","4","1","","Francisco Otón; María del Carmen González; Arturo Espinosa; Carmen Ramírez de Arellano; Alberto Tárraga; Pedro Molina","Ion Pair Recognition Receptor Based on an Unsymmetrically 1,1'-Disubstituted Ferrocene-Triazole Derivative","Journal of Organic Chemistry","2012","77","","10083","10092","10.1021/jo301570u","","","0.71073","MoKα","","0.0478","0.0386","","","0.0788","0.085","","","","","","1.045","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027694","9.9444","0.0005","13.0012","0.0007","36.1469","0.0018","90","","90","","90","","4673.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F12 O4 -","- C11 H10 F12 O4 -","- C132 H120 F144 O48 -","12","3","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1057","0.0402","","","0.0614","0.0772","","","","","","1.014","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027702","10.3791","0.0004","19.808","0.0016","20.2096","0.0015","90","","90","","90","","4154.9","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 F20 N2 O4 -","- C41 H32 F20 N2 O4 -","- C164 H128 F80 N8 O16 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0901","0.0411","","","0.0769","0.0889","","","","","","0.932","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027708","10.208","0.0006","15.1118","0.001","32.159","0.002","90","","90","","90","","4960.9","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 F40 N2 O8 -","- C36 H32 F40 N2 O8 -","- C144 H128 F160 N8 O32 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1029","0.0611","","","0.1612","0.1804","","","","","","0.99","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027710","19.5005","0.0009","21.6527","0.001","24.7377","0.0011","90","","90","","90","","10445.2","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C105 H114 I2 N4 O32 -","- C105 H114 I2 N4 O32 -","- C420 H456 I8 N16 O128 -","4","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.1005","0.0488","","","0.085","0.0974","","","","","","0.861","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027716","10.1684","0.0018","10.9125","0.0018","18.1708","0.0019","90","","90","","90","","2016.3","0.5","295","2","295","2","","","","","","","Synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-2-{[(1R)-1-phenylethyl]amino}-1-(phenylethynyl)cyclohexanol hydrobromide","","- C22 H26 Br N O -","- C22 H26 Br N O -","- C88 H104 Br4 N4 O4 -","4","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","1.54184","CuKα","","0.0305","0.0283","","","0.0724","0.0742","","","","","","0.905","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027718","10.3917","0.0008","20.6521","0.0016","20.2498","0.0017","90","","90","","90","","4345.8","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,3aR,8aS)-3-phenyl-1-[(1R)-1-phenylethyl]octahydrocyclohepta [b]pyrrol-4(1H)-one","","- C48 H64 Br2 N2 O4 -","- C48 H64 Br2 N2 O4 -","- C192 H256 Br8 N8 O16 -","4","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","x-ray","0.56085","AgKα","","0.3058","0.0568","","","0.0951","0.1633","","","","","","0.635","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027719","9.667","0.003","12.211","0.003","32.485","0.007","90","","90","","90","","3834.7","1.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-2-{[(1S)-1-phenylethyl]amino}-1-(phenylethynyl)cyclohexanol","","- C22 H25 N O -","- C22 H25 N O -","- C176 H200 N8 O8 -","8","2","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","1.54184","CuKα","","0.1008","0.0594","","","0.1459","0.1733","","","","","","1.025","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027722","9.623","0.009","21.48","0.02","10.161","0.009","90","","90","","90","","2100","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0701","0.0614","","","0.1639","0.1738","","","","","","1.024","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027735","13.677","0.0003","14.981","0.0002","24.659","0.0005","90","","90","","90","","5052.51","0.17","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","DR 10 IZOMER II","","","- C55 H72 Cl2 O6 -","- C55 H72 Cl2 O6 -","- C220 H288 Cl8 O24 -","4","1","","Dorota Czajkowska-Szczykowska; Braulio Rodríguez-Molina; Nancy E. Magaña-Vergara; Rosa Santillan; Jacek W. Morzycki; Miguel A. Garcia-Garibay","Macrocyclic Molecular Rotors with Bridged Steroidal Frameworks","Journal of Organic Chemistry","2012","77","","9970","9978","10.1021/jo3020402","","x-ray","0.71073","MoKα","","0.1015","0.0726","","","0.1909","0.2157","","","","","","1.046","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027742","5.439","0.0001","13.884","0.0003","19.535","0.0005","90","0.001","90","0.001","90","0.001","1475.19","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C72 H64 Cl4 N4 O4 -","4","1","","Gonzalo Blay; Joan Cano; Luz Cardona; Isabel Fernández; M. Carmen Muñoz; José R. Pedro; Carlos Vila","NMR Spectroscopic Characterization and DFT Calculations of Zirconium(IV)-3,3'-Br2-BINOLate and Related Complexes Used in an Enantioselective Friedel-Crafts Alkylation of Indoles with α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","10545","10556","10.1021/jo3013594","","","0.71073","MoKα","","0.0787","0.0349","","","0.082","0.1052","","","","","","0.871","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027759","8.9167","0.0009","11.6882","0.0019","20.8027","0.0015","90","","90","","90","","2168.1","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Di-tert-butoxy-3- (pent-4-enyl)octahydrocyclopenta[c]pyrrolo[1,2-b]isoxazolidine","","- C22 H38.14 N O3 -","- C22 H38.13 N O3 -","- C88 H152.52 N4 O12 -","4","1","","Denis A. Morozov; Igor A. Kirilyuk; Denis A. Komarov; Andrea Goti; Irina Yu. Bagryanskaya; Natalia V. Kuratieva; Igor A. Grigor'ev","Synthesis of a Chiral C2-Symmetric Sterically Hindered Pyrrolidine Nitroxide Radical via Combined Iterative Nucleophilic Additions and Intramolecular 1,3-Dipolar Cycloadditions to Cyclic Nitrones","Journal of Organic Chemistry","2012","77","","10688","10698","10.1021/jo3019158","","","0.71073","MoKα","","0.0381","0.036","","","0.1001","0.1025","","","","","","1.044","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027773","8.973","0.004","12.797","0.005","15.681","0.007","90","","90","","90","","1800.6","1.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N2 O6 P S -","- C14 H23 N2 O6 P S -","- C56 H92 N8 O24 P4 S4 -","4","1","","Qiuli Yao; Chengye Yuan","Stereospecific Transformation of Protected P-H Group into P-O or P-N Group in One-Pot Reaction","Journal of Organic Chemistry","2012","77","","10985","10990","10.1021/jo302140q","","","0.71073","MoKα","","0.1129","0.065","","","0.1125","0.1249","","","","","","0.997","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027774","9.901","0.003","13.938","0.005","21.18","0.007","90","","90","","90","","2922.8","1.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Br N2 O6 P S -","- C18 H30 Br N2 O6 P S -","- C72 H120 Br4 N8 O24 P4 S4 -","4","1","","Qiuli Yao; Chengye Yuan","Stereospecific Transformation of Protected P-H Group into P-O or P-N Group in One-Pot Reaction","Journal of Organic Chemistry","2012","77","","10985","10990","10.1021/jo302140q","","","0.71073","MoKα","","0.0999","0.0584","","","0.1315","0.1459","","","","","","0.925","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027779","8.6875","0.0013","14.688","0.002","16.685","0.002","90","","90","","90","","2129","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O3 Si -","- C22 H31 N O3 Si -","- C88 H124 N4 O12 Si4 -","4","1","","Trung Cao; Elizabeth C. Linton; Joshua Deitch; Simon Berritt; Marisa C. Kozlowski","Copper(II)- and Palladium(II)-Catalyzed Enantioselective Claisen Rearrangement of Allyloxy- and Propargyloxy-Indoles to Quaternary Oxindoles and Spirocyclic Lactones","Journal of Organic Chemistry","2012","77","","11034","11055","10.1021/jo302039n","","","0.71073","MoKα","","0.0714","0.0543","","","0.1061","0.1157","","","","","","1.074","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027792","8.9063","0.0003","10.331","0.0003","13.8954","0.0004","90","","90","","90","","1278.53","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","","Ingrid-Suzy Tamgho; James T. Engle; Christopher J. Ziegler","Phthalocrowns: Isoindoline-Crown Ether Macrocycles","Journal of Organic Chemistry","2012","77","","11372","11376","10.1021/jo302227z","","","1.54178","CuKα","","0.0259","0.0257","","","0.0734","0.0737","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027839","8.6963","0.0002","10.4629","0.0003","25.1241","0.0007","90","","90","","90","","2286","0.11","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F3 N2 O5 S2 -","- C19 H25 F3 N2 O5 S2 -","- C76 H100 F12 N8 O20 S8 -","4","1","","William J. Morris; Kiran K. Muppalla; Cameron Cowden; Richard G. Ball","Stereoselective Addition of 2-Phenyloxazol-4-yl Trifluoromethanesulfonate to N-Sulfinyl Imines: Application to the Synthesis of the HCV Protease Inhibitor Boceprevir","Journal of Organic Chemistry","2013","78","","706","710","10.1021/jo301856f","","","0.7107","MoKα","","","0.03","","","0.07","0.073","","","","","","1.043","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027841","10.2043","0.0006","11.1772","0.0007","12.159","0.0008","90","","90","","90","","1386.8","0.15","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0391","0.0378","","","0.0976","0.0986","","","","","","1.025","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027842","9.7057","0.0008","11.5435","0.0009","29.504","0.002","90","","90","","90","","3305.6","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C128 H144 N16 O48 -","8","2","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0903","0.0438","","","0.0639","0.0731","","","","","","0.699","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027845","10.6165","0.0007","10.9588","0.0011","11.8491","0.001","90","","90","","90","","1378.6","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","1.54184","CuKα","","0.0536","0.0373","","","0.0792","0.0832","","","","","","0.838","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027848","10.054","0.003","12.268","0.003","14.045","0.003","90","","90","","90","","1732.3","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Nucleoside","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C84 H76 N12 O12 -","4","1","","Subhendu Sekhar Bag; Sangita Talukdar; Katsuhiko Matsumoto; Rajen Kundu","Triazolyl Donor/Acceptor Chromophore Decorated Unnatural Nucleosides and Oligonucleotides with Duplex Stability Comparable to That of a Natural Adenine/Thymine Pair","Journal of Organic Chemistry","2013","78","","278","291","10.1021/jo302033f","","x-ray","0.71073","MoKα","","0.1127","0.0522","","","0.0997","0.1184","","","","","","0.961","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027859","9.138","0.0006","9.382","0.0006","17.5827","0.0012","90","","90","","90","","1507.41","0.17","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R)-3-acetamido-3-methyl-1-[1-(1S)-(N-methylcarbamoyl)phenylmethyl]azetidin- 2-one","","- C15 H19 N3 O3 -","- C15 H19 N3 O3 -","- C60 H76 N12 O12 -","4","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.059","0.0457","","","0.1097","0.1208","","","","","","1.073","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027864","7.5921","0.0005","12.0779","0.0009","18.0873","0.0014","90","","90","","90","","1658.5","0.2","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br F N2 O4 -","- C17 H12 Br F N2 O4 -","- C68 H48 Br4 F4 N8 O16 -","4","1","","Wen-Ting Meng; Yan Zheng; Jing Nie; Heng-Ying Xiong; Jun-An Ma","Organocatalytic Asymmetric One-Pot Sequential Conjugate Addition/Dearomative Fluorination: Synthesis of Chiral Fluorinated Isoxazol-5(4H)-ones","Journal of Organic Chemistry","2013","78","","559","567","10.1021/jo302419e","","","0.71073","MoKα","","0.0441","0.0374","","","0.0846","0.0888","","","","","","0.945","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027866","11.325","0.002","13.892","0.002","17.405","0.003","90","","90","","90","","2738.3","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 N O4 -","- C33 H29 N O4 -","- C132 H116 N4 O16 -","4","1","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.0972","0.0485","","","0.1071","0.1234","","","","","","0.984","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027867","11.7329","0.0012","13.8113","0.0015","16.8109","0.0018","90","","90","","90","","2724.1","0.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 Cl2 N O3 -","- C31 H25 Cl2 N O3 -","- C124 H100 Cl8 N4 O12 -","4","1","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.062","0.0527","","","0.1425","0.1527","","","","","","1.04","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027871","11.0342","0.0008","17.6915","0.0014","18.4903","0.0015","90","","90","","90","","3609.5","0.5","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C160 H256 O16 -","8","2","","J. Stephen Clark; Raphaëlle Berger; Stewart T. Hayes; Hans Martin Senn; Louis J. Farrugia; Lynne H. Thomas; Angus J. Morrison; Luca Gobbi","Total Syntheses of Multiple Cladiellin Natural Products by Use of a Completely General Strategy","Journal of Organic Chemistry","2013","78","","673","696","10.1021/jo302542h","","x-ray","0.71073","MoKα","","0.1334","0.0601","","","0.1085","0.1257","","","","","","0.957","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027872","6.9388","0.0006","8.185","0.001","33.548","0.003","90","","90","","90","","1905.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","J. Stephen Clark; Raphaëlle Berger; Stewart T. Hayes; Hans Martin Senn; Louis J. Farrugia; Lynne H. Thomas; Angus J. Morrison; Luca Gobbi","Total Syntheses of Multiple Cladiellin Natural Products by Use of a Completely General Strategy","Journal of Organic Chemistry","2013","78","","673","696","10.1021/jo302542h","","","0.71075","MoKα","","0.12","0.0743","","","","0.0957","","","","","","1.045","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027880","6.9982","0.0012","13.753","0.004","24.403","0.007","90","","90","","90","","2348.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N3 O6 S -","- C23 H23 N3 O6 S -","- C92 H92 N12 O24 S4 -","4","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1397","0.0664","","","0.0778","0.098","","","","","","1.013","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027885","8.0091","0.0003","12.2395","0.0006","16.3039","0.0007","90","","90","","90","","1598.23","0.12","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O3 -","- C16 H18 Br N O3 -","- C64 H72 Br4 N4 O12 -","4","1","","Ai-Bao Xia; Chao Wu; Dan-Qian Xu; Yi-Feng Wang; Xiao-Hua Du; Zhao-Bo Li; Zhen-Yuan Xu","Prolinethiol Ether Catalysis in an Asymmetric Michael Reaction: Solvent-Free Synthesis of Functionalized Monohaloalkenes","Journal of Organic Chemistry","2013","78","","1254","1259","10.1021/jo302288z","","","0.71073","MoKα","","0.0861","0.037","","","0.0688","0.1136","","","","","","1.001","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027886","7.0942","0.0005","13.792","0.0011","17.3108","0.0013","90","","90","","90","","1693.7","0.2","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O3 -","- C17 H20 Br N O3 -","- C68 H80 Br4 N4 O12 -","4","1","","Ai-Bao Xia; Chao Wu; Dan-Qian Xu; Yi-Feng Wang; Xiao-Hua Du; Zhao-Bo Li; Zhen-Yuan Xu","Prolinethiol Ether Catalysis in an Asymmetric Michael Reaction: Solvent-Free Synthesis of Functionalized Monohaloalkenes","Journal of Organic Chemistry","2013","78","","1254","1259","10.1021/jo302288z","","","0.71073","MoKα","","0.1088","0.0396","","","0.0663","0.0905","","","","","","0.947","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027889","7.9204","0.0003","8.6133","0.0003","25.5389","0.0011","90","","90","","90","","1742.28","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br O3 -","- C21 H19 Br O3 -","- C84 H76 Br4 O12 -","4","1","","Elumalai Gopi; Irishi N. N. Namboothiri","Synthesis of Fused Bromofurans via Mg-Mediated Dibromocyclopropanation of Cycloalkanone-Derived Chalcones and Cloke-Wilson Rearrangement","Journal of Organic Chemistry","2013","78","","910","919","10.1021/jo3022988","","","0.71073","MoKα","","0.037","0.028","","","0.0581","0.0603","","","","","","0.972","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027891","9.3755","0.0006","10.0021","0.0006","25.2346","0.0015","90","","90","","90","","2366.4","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H41 N O3 Si -","- C22 H41 N O3 Si -","- C88 H164 N4 O12 Si4 -","4","1","","Julie A. Pigza; Jeong-Seok Han; Aroop Chandra; Daniel Mutnick; Maren Pink; Jeffrey N. Johnston","Total Synthesis of the Lycopodium Alkaloid Serratezomine A Using Free Radical-Mediated Vinyl Amination to Prepare a β-Stannyl Enamine Linchpin","Journal of Organic Chemistry","2013","78","","822","843","10.1021/jo302333s","","","0.71073","MoKα","","0.031","0.0296","","","0.0814","0.0827","","","","","","0.987","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027923","10.811","0.002","14.427","0.003","21.917","0.004","90","","90","","90","","3418.4","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H58 O4 S Si3 -","- C26 H58 O4 S Si3 -","- C104 H232 O16 S4 Si12 -","4","1","","Robin Daly; Thomas McCabe; Eoin M. Scanlan","Development of Fully and Partially Protected Fucosyl Donors for Oligosaccharide Synthesis","Journal of Organic Chemistry","2013","78","","1080","1090","10.1021/jo302487c","","","0.71073","MoKα","","0.0356","0.0343","","","0.0821","0.0834","","","","","","1.072","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4027924","9.2047","0.0001","12.9635","0.0002","24.7453","0.0003","90","","90","","90","","2952.74","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C120 H168 N8 O16 S8 -","8","2","","David M. Hodgson; Christopher I. Pearson; Amber L. Thompson","α-Lithiation-Electrophile Trapping of N-Thiopivaloylazetidin-3-ol: Stereoselective Synthesis of 2-Substituted 3-Hydroxyazetidines","Journal of Organic Chemistry","2013","78","","1098","1106","10.1021/jo3025225","","","0.71073","MoKα","","0.0506","0.0412","","0.1052","0.1009","0.1052","","","","","","0.9936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027933","6.0202","0.001","9.5695","0.0015","28.79","0.005","90","","90","","90","","1658.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Br2 N2 O4 -","- C13 H16 Br2 N2 O4 -","- C52 H64 Br8 N8 O16 -","4","1","","Hao Sun; Jianlin Han; Padmanabha V. Kattamuri; Yi Pan; Guigen Li","Approach to Vicinalt-Boc-amino Dibromides via Catalytic Aminobromination of Nitrostyrenes without Using Chromatography and Recrystallization","Journal of Organic Chemistry","2013","78","","1171","1175","10.1021/jo302727v","","","0.71073","MoKα","","0.0659","0.042","","","0.1013","0.1091","","","","","","0.749","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4027951","14.954","0.011","16.34","0.012","16.575","0.012","90","","90","","90","","4050","5","300","2","300","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 F6 Fe N4 O6 S2 -","- C36 H46 F6 Fe N4 O6 S2 -","- C144 H184 F24 Fe4 N16 O24 S8 -","4","1","","Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas","Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts","Journal of Organic Chemistry","2013","78","","1421","1433","10.1021/jo302196q","","","0.71073","MoKα","","0.089","0.0549","","","0.144","0.161","","","","","","1.054","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027962","5.8855","0.0002","8.2344","0.0002","21.4492","0.0007","90","","90","","90","","1039.5","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O -","- C11 H19 N O -","- C44 H76 N4 O4 -","4","1","","David M. Hodgson; Andrew Charlton; Robert S. Paton; Amber L. Thompson","C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines","Journal of Organic Chemistry","2013","78","","1508","1518","10.1021/jo3025972","","","1.5418","CuKα","","0.0256","0.0253","","0.0696","0.0693","0.0696","","","","","","1.0061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027963","9.3133","0.0001","10.441","0.0001","18.1294","0.0002","90","","90","","90","","1762.91","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O -","- C19 H28 N2 O -","- C76 H112 N8 O4 -","4","1","","David M. Hodgson; Andrew Charlton; Robert S. Paton; Amber L. Thompson","C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines","Journal of Organic Chemistry","2013","78","","1508","1518","10.1021/jo3025972","","","1.5418","CuKα","","0.0331","0.0313","","0.0855","0.0827","0.0855","","","","","","0.9918","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027964","5.9046","0.0001","8.2614","0.0001","21.5105","0.0001","90","","90","","90","","1049.29","0.02","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O -","- C11 H19 N O -","- C44 H76 N4 O4 -","4","1","","David M. Hodgson; Andrew Charlton; Robert S. Paton; Amber L. Thompson","C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines","Journal of Organic Chemistry","2013","78","","1508","1518","10.1021/jo3025972","","","1.5418","CuKα","","0.0254","0.0252","","0.0676","0.0674","0.0676","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027967","9.174","0.004","11.595","0.004","23.778","0.01","90","","90","","90","","2529.3","1.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl N3 O3 -","- C27 H30 Cl N3 O3 -","- C108 H120 Cl4 N12 O12 -","4","1","","Lei Zhao; Yudao Ma; Fuyan He; Wenzeng Duan; Jianqiang Chen; Chun Song","Enantioselective β-Boration of Acyclic Enones by a [2.2]Paracyclophane-Based N-Heterocyclic Carbene Copper(I) Catalyst","Journal of Organic Chemistry","2013","78","","1677","1681","10.1021/jo302694d","","","0.71073","MoKα","","0.0932","0.0556","","","0.1393","0.1698","","","","","","0.952","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027971","5.2028","0.0003","12.2999","0.0007","27.7966","0.0015","90","","90","","90","","1778.81","0.17","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Stefan C. Söderman; Adrian L. Schwan","Sulfenate Substitution as a Complement and Alternative to Sulfoxidation in the Diastereoselective Preparation of Chiral β-Substituted β-Amino Sulfoxides","Journal of Organic Chemistry","2013","78","","1638","1649","10.1021/jo302769b","","","1.54178","CuKα","","0.032","0.0306","","","0.0812","0.082","","","","","","1.069","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027973","9.107","0.003","11.053","0.004","24.15","0.008","90","","90","","90","","2430.9","1.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","11226a","","","- C26 H24 Cl3 N O7 -","- C26 H24 Cl3 N O7 -","- C104 H96 Cl12 N4 O28 -","4","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.031","0.028","","","0.0626","0.0644","","","","","","1.01","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027975","6.7377","0.0008","14.7429","0.0018","18.131","0.002","90","","90","","90","","1801","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.0423","0.036","","","0.0859","0.091","","","","","","1.049","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027979","9.437","0.0013","9.9383","0.0014","22.121","0.003","90","","90","","90","","2074.7","0.5","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C92 H88 N8 O16 S4 -","4","1","","Kong-Zhen Hu; Jie Ma; Shi Qiu; Xiao Zheng; Pei-Qiang Huang","SmI2-Mediated Intermolecular Coupling of γ-LactamN-α-Radicals with Activated Alkenes: Asymmetric Synthesis of 11-Hydroxylated Analogues of the Lead Compounds CP-734432 and PF-04475270","Journal of Organic Chemistry","2013","78","","1790","1801","10.1021/jo301277n","","","0.71073","MoKα","","0.0418","0.0396","","","0.101","0.1025","","","","","","1.044","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4027983","7.6468","0.0001","13.3878","0.0003","17.294","0.0003","90","","90","","90","","1770.45","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","none","dimethyl (1RS, 4SR, 5RS, 6SR)-endo-5-((1'RS)-1'-benzoylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0859","0.0819","","","0.2187","0.2277","","","","","","1.046","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4028005","5.8187","0.0008","9.6719","0.0013","30.809","0.004","90","","90","","90","","1733.9","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C92 H80 N8 O4 -","4","1","","Ni-tao Zhang; Cheng-chu Zeng; Chiu Marco Lam; Randi K. Gbur; R. Daniel Little","Triarylimidazole Redox Catalysts: Electrochemical Analysis and Empirical Correlations","Journal of Organic Chemistry","2013","78","","2104","2110","10.1021/jo302309m","","","0.71073","MoKα","","0.0451","0.039","","","0.0895","0.0917","","","","","","1.089","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028011","5.442","","11.7123","0.0002","19.0408","0.0013","90","","90","","90","","1213.63","0.09","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-ethyl 2-hydroxy-6-((R)-5-oxo-2,5-dihydrofuran-2-yl) cyclohex-1-enecarboxylate","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.0342","0.0326","","","0.0824","0.0843","","","","","","1.106","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028014","7.6937","0.0004","9.5654","0.0006","19.816","0.0013","90","","90","","90","","1458.33","0.15","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-ethyl 2-hydroxy-5,5-dimethyl-6-((R)-5-oxo-2,5-dihydrofuran-2-yl) cyclohex-1-enecarboxylate","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.0492","0.0444","","","0.1044","0.1107","","","","","","1.096","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028050","5.3465","0.0003","20.9082","0.0013","25.018","0.0015","90","","90","","90","","2796.7","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N O8 -","- C27 H39 N O8 -","- C108 H156 N4 O32 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","1.54184","CuKα","","0.1233","0.0999","","0.2588","0.243","0.2588","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028053","5.49231","0.00008","16.4313","0.0003","25.747","0.0004","90","","90","","90","","2323.56","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O7 -","- C23 H33 N O7 -","- C92 H132 N4 O28 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","1.54184","CuKα","","0.0333","0.0306","","0.0779","0.0748","0.0779","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028055","10.885","0.0005","11.4534","0.0005","18.6129","0.0009","90","","90","","90","","2320.48","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 B2 O2 P2 -","- C20 H40 B2 O2 P2 -","- C80 H160 B8 O8 P8 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKα","","0.0797","0.0541","","","0.1191","0.1719","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028056","6.6655","0.0002","13.8497","0.0004","30.6661","0.001","90","","90","","90","","2830.95","0.15","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H48 B2 O4 P2 -","- C24 H48 B2 O4 P2 -","- C96 H192 B8 O16 P8 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKα","","0.0535","0.0448","","","0.094","0.1085","","","","","","1.132","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028057","10.5555","0.0006","16.2892","0.0009","19.6227","0.001","90","","90","","90","","3373.9","0.3","99","2","99","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H56 B2 O6 P2 -","- C28 H56 B2 O6 P2 -","- C112 H224 B8 O24 P8 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKα","","0.0529","0.0412","","","0.0864","0.1107","","","","","","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028058","11.3813","0.0006","14.2524","0.0008","17.1841","0.001","90","","90","","90","","2787.4","0.3","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 Cl2 O4 P2 Pt -","- C24 H42 Cl2 O4 P2 Pt -","- C96 H168 Cl8 O16 P8 Pt4 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKa","","0.0416","0.0366","","","0.0713","0.0776","","","","","","1.05","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028065","5.1732","0.0003","9.5105","0.0006","23.2668","0.0015","90","","90","","90","","1144.72","0.12","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,4S,6R)-3-oxo-4-(2-pyrrolyl)-2,5-diazabicyclo[4.4.0]decane","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C48 H68 N12 O4 -","4","1","","Elżbieta Wojaczyńska; Julia Bąkowicz; Mateusz Dorsz; Jacek Skarżewski","Monoimine Derived from trans-1,2-Diaminocyclohexane and Ethyl Glyoxylate: An Intermediate in Aza-Diels-Alder and Mannich Reactions","Journal of Organic Chemistry","2013","78","","2808","2811","10.1021/jo302820m","","","0.71073","MoKα","","0.0359","0.0319","","","0.0712","0.0735","","","","","","1.095","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028066","8.1475","0.0001","11.0267","0.0002","19.1568","0.0004","90","","90","","90","","1721.05","0.05","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl3 N O3 -","- C15 H18 Cl3 N O3 -","- C60 H72 Cl12 N4 O12 -","4","1","","Che-Wah Lee; Ricardo Lira; Jason Dutra; Kevin Ogilvie; Brian T. O'Neill; Michael Brodney; Christopher Helal; Joseph Young; Erik Lachapelle; Subas Sakya; John C. Murray","Stereoselective Synthesis of Spiropiperidines as BACE-1 Aspartyl Protease Inhibitors via Late Stage N-Arylation of a 1,8-Diazaspiro[4.5]dec-3-en-2-one Pharmacophore","Journal of Organic Chemistry","2013","78","","2661","2669","10.1021/jo400016m","","","1.54178","CuKα","","0.0488","0.0419","","","0.1061","0.1119","","","","","","1.025","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028067","9.1205","0.0016","10.177","0.0017","39.051","0.007","90","","90","","90","","3624.7","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 Cl N2 O4 -","- C16 H23 Cl N2 O4 -","- C128 H184 Cl8 N16 O32 -","8","2","","Che-Wah Lee; Ricardo Lira; Jason Dutra; Kevin Ogilvie; Brian T. O'Neill; Michael Brodney; Christopher Helal; Joseph Young; Erik Lachapelle; Subas Sakya; John C. Murray","Stereoselective Synthesis of Spiropiperidines as BACE-1 Aspartyl Protease Inhibitors via Late Stage N-Arylation of a 1,8-Diazaspiro[4.5]dec-3-en-2-one Pharmacophore","Journal of Organic Chemistry","2013","78","","2661","2669","10.1021/jo400016m","","","1.54178","CuKα","","0.0672","0.0584","","","0.1465","0.1583","","","","","","1.059","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028078","8.5719","0.0005","14.7555","0.0009","15.693","0.0009","90","","90","","90","","1984.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C80 H96 N8 O16 S8 -","4","1","","Gustavo P. Silveira; Joseph P. Marino","Enantioselective Synthesis of Dihydro-1H-benzindoles","Journal of Organic Chemistry","2013","78","","3379","3383","10.1021/jo302798j","","","0.71073","MoKα","","0.0257","0.0238","","","0.0619","0.063","","","","","","1.046","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028079","8.9037","0.0003","10.0646","0.0003","24.9129","0.0007","90","","90","","90","","2232.5","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl2 N O3 S2 -","- C22 H21 Cl2 N O3 S2 -","- C88 H84 Cl8 N4 O12 S8 -","4","1","","Gustavo P. Silveira; Joseph P. Marino","Enantioselective Synthesis of Dihydro-1H-benzindoles","Journal of Organic Chemistry","2013","78","","3379","3383","10.1021/jo302798j","","","0.71073","MoKα","","0.0213","0.0205","","","0.052","0.0525","","","","","","1.058","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028080","8.2706","0.0004","11.4435","0.0005","16.388","0.0009","90","","90","","90","","1551.04","0.13","291","2","291","2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","(3aS,4aS,5R,8S,8aR,9R,9aS)-3a-allyl-9-hydroxy-2,2-dimethyl-4a,5,8,8a,9,9a- hexahydro-5,8-methanonaphtho[2,3-d][1,3]dioxol-4(3aH)-one","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Goverdhan Mehta; Nagi Reddy Modugu","Concise Approach to the Carbocyclic Core of the Naturally Occurring Sphingomyelinase Inhibitor Scyphostatin","Journal of Organic Chemistry","2013","78","","3367","3373","10.1021/jo3028196","","","0.71073","MoKa","","0.0398","0.0339","","","0.0762","0.0795","","","","","","1.079","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028090","9.4468","0.0002","13.2846","0.0003","30.4999","0.0007","90","","90","","90","","3827.64","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H40 N4 O4 -","- C47 H40 N4 O4 -","- C188 H160 N16 O16 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0876","0.0808","","","0.2144","0.2213","","","","","","0.945","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028111","10.0149","0.0008","17.024","0.0013","17.8106","0.0011","90","","90","","90","","3036.6","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O4 S -","- C34 H37 N O4 S -","- C136 H148 N4 O16 S4 -","4","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0525","0.0414","","","0.1005","0.1111","","","","","","1.09","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028123","9.9911","0.0007","10.4994","0.0007","18.8049","0.0013","90","","90","","90","","1972.6","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br2 N2 O5 -","- C18 H18 Br2 N2 O5 -","- C72 H72 Br8 N8 O20 -","4","1","","Hyo-Jun Lee; Chang-Woo Cho","Cinchona-Based Primary Amine-Catalyzed Asymmetric Cascade Aza-Michael-Aldol Reactions of Enones with 2-(1H-Pyrrol-2-yl)-2-oxoacetates: Synthesis of Chiral Pyrrolizines with Multistereocenters","Journal of Organic Chemistry","2013","78","","3306","3312","10.1021/jo4001614","","","0.71073","MoKα","","0.0951","0.0415","","","0.0843","0.1268","","","","","","1.06","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028140","8.3288","0.0017","9.3506","0.0019","33.517","0.007","90","","90","","90","","2610.3","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 F4 N3 O8 P S -","- C23 H28 F4 N3 O8 P S -","- C92 H112 F16 N12 O32 P4 S4 -","4","1","","Jonathan T. Reeves; Daniel R. Fandrick; Zhulin Tan; Jinhua J. Song; Sonia Rodriguez; Bo Qu; Soojin Kim; Oliver Niemeier; Zhibin Li; Denis Byrne; Scot Campbell; Ashish Chitroda; Phil DeCroos; Thomas Fachinger; Victor Fuchs; Nina C. Gonnella; Nelu Grinberg; Nizar Haddad; Burkhard Jäger; Heewon Lee; Jon C. Lorenz; Shengli Ma; Bikshandarkoil A. Narayanan; Larry J. Nummy; Ajith Premasiri; Frank Roschangar; Max Sarvestani; Sherry Shen; Earl Spinelli; Xiufeng Sun; Richard J. Varsolona; Nathan Yee; Michael Brenner; Chris H. Senanayake","Development of a Large Scale Asymmetric Synthesis of the Glucocorticoid Agonist BI 653048 BS H3PO4","Journal of Organic Chemistry","2013","78","","3616","3635","10.1021/jo400079z","","","1.54178","CuKα","","0.0358","0.0343","","","0.0802","0.0816","","","","","","1.107","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028141","7.2117","0.001","10.159","0.0015","16.885","0.002","90","","90","","90","","1237.1","0.3","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0314","0.0297","","","0.0839","0.0852","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028170","6.379","0.002","13.342","0.005","15.871","0.005","90","","90","","90","","1350.8","0.8","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","1","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","0.71075","MoKα","","","0.0453","","","","0.1088","","","","","","1.039","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028171","6.054","0.0013","15.744","0.003","18.136","0.004","90","","90","","90","","1728.6","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O S -","- C19 H23 N O S -","- C76 H92 N4 O4 S4 -","4","1","","Suresh Pindi; Jianbin Wu; Guigen Li","Design, Synthesis, and Applications of Chiral N-2-Phenyl-2-propyl Sulfinyl Imines for Group-Assisted Purification (GAP) Asymmetric Synthesis","Journal of Organic Chemistry","2013","78","","4006","4012","10.1021/jo400354r","","","0.71073","MoKα","","0.0462","0.0344","","","0.0742","0.0804","","","","","","1.018","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028173","8.0425","0.0012","11.1181","0.0018","16.194","0.002","90","","90","","90","","1448","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O6 -","- C13 H20 N2 O6 -","- C52 H80 N8 O24 -","4","1","","Yu-Chiao Shih; Ya-Ying Yang; Chun-Chi Lin; Tun-Cheng Chien","Synthesis of 6-Alkyluridines from 6-Cyanouridine via Zinc(II) Chloride-Catalyzed Nucleophilic Substitution with Alkyl Grignard Reagents","Journal of Organic Chemistry","2013","78","","4027","4036","10.1021/jo400364p","","","0.71073","MoKα","","0.0369","0.0336","","","0.0911","0.0934","","","","","","1.085","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028176","9.65","0.005","12.429","0.007","14.078","0.007","90","","90","","90","","1688.5","1.5","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C72 H80 Br4 N4 O4 -","4","1","","Jérémie Mandel; Xiaohong Pan; E. Ben Hay; Steven J. Geib; Craig S. Wilcox; Dennis P. Curran","Rotational Isomers of N-Methyl-N-arylacetamides and Their Derived Enolates: Implications for Asymmetric Hartwig Oxindole Cyclizations","Journal of Organic Chemistry","2013","78","","4083","4089","10.1021/jo400385t","","","0.71073","MoKα","","0.1126","0.0515","","","0.1301","0.1637","","","","","","0.944","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028179","8.379","0.0001","9.797","0.0001","12.862","0.0002","90","","90","","90","","1055.83","0.02","123","1","123","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C52 H36 N4 O12 -","4","1","","Kathrin Ulbrich; Peter Kreitmeier; Tirayut Vilaivan; Oliver Reiser","Enantioselective Synthesis of 4-Heterosubstituted Cyclopentenones","Journal of Organic Chemistry","2013","78","","4202","4206","10.1021/jo400409f","","x-ray","1.54178","CuKα","","0.0325","0.032","","","0.0829","0.0837","","","","","","1.051","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028190","5.162","0.003","8.413","0.005","37.3","0.02","90","","90","","90","","1619.9","1.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F3 N O2 -","- C17 H16 F3 N O2 -","- C68 H64 F12 N4 O8 -","4","1","","Haizhen Jiang; Liuming Yan; Minjun Xu; Wenjun Lu; Yeshan Cai; Wen Wan; Jianhua Yao; Shaoxiong Wu; Shizheng Zhu; Jian Hao","Nucleophile-Dependent Regioselective Reaction of (S)-4-Benzyl-2-Fluoroalkyl-1,3-Oxazolines","Journal of Organic Chemistry","2013","78","","4261","4269","10.1021/jo400073d","","","0.71073","MoKα","","0.11","0.0816","","","0.2457","0.2744","","","","","","1.105","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028194","8.6536","0.0008","11.2113","0.001","23.211","0.002","90","","90","","90","","2251.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","1","","Chun-Bao Miao; Chun-Ping Dong; Min Zhang; Wen-Long Ren; Qi Meng; Xiao-Qiang Sun; Hai-Tao Yang","Highly Stereoselective, One-Pot Synthesis of Azetidines and 2,4-Dioxo-1,3-diazabicyclo[3.2.0] Compounds Mediated by I2","Journal of Organic Chemistry","2013","78","","4329","4340","10.1021/jo400181r","","","0.71073","MoKα","","0.0724","0.0453","","","0.1129","0.1297","","","","","","0.984","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028195","6.5595","0.0001","13.8801","0.0003","15.4276","0.0003","90","","90","","90","","1404.63","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","meropenem","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Xun Ji; Yu Zhou; Jinfang Wang; Linxiang Zhao; Hualiang Jiang; Hong Liu","Au(I)/Ag(I)-Catalyzed Cascade Approach for the Synthesis of Benzo[4,5]imidazo[1,2-c]pyrrolo[1,2-a]quinazolinones","Journal of Organic Chemistry","2013","78","","4312","4318","10.1021/jo400228g","","","0.71073","MoKα","","0.0379","0.0335","","","0.0774","0.0793","","","","","","1.351","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028240","14.5338","0.0002","14.7098","0.0003","16.4238","0.0003","90","","90","","90","","3511.23","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 B O P -","- C20 H20 B O P -","- C160 H160 B8 O8 P8 -","8","2","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0645","0.0454","","","0.1074","0.116","","","","","","1.058","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028242","8.93335","0.00014","14.779","0.0002","14.9251","0.0002","90","","90","","90","","1970.5","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 B O3 P -","- C21 H22 B O3 P -","- C84 H88 B4 O12 P4 -","4","1","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0624","0.0401","","","0.0889","0.0987","","","","","","1.074","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028256","4.9959","0.0001","15.4251","0.0005","16.5839","0.0006","90","","90","","90","","1277.99","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 N O4 -","- C17 H11 N O4 -","- C68 H44 N4 O16 -","4","1","","Hye Sun Kim; Martin G. Banwell; Anthony C. Willis","Convergent Total Syntheses of the Amaryllidaceae Alkaloids Lycoranine A, Lycoranine B, and 2-Methoxypratosine","Journal of Organic Chemistry","2013","78","","5103","5109","10.1021/jo4006987","","","0.71073","MoKα","","0.0437","0.0356","","0.0911","0.0863","0.0911","","","","","","1.0079","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028257","4.9832","0.0003","16.4133","0.0007","16.4878","0.0007","90","","90","","90","","1348.55","0.11","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C72 H52 N4 O16 -","4","1","","Hye Sun Kim; Martin G. Banwell; Anthony C. Willis","Convergent Total Syntheses of the Amaryllidaceae Alkaloids Lycoranine A, Lycoranine B, and 2-Methoxypratosine","Journal of Organic Chemistry","2013","78","","5103","5109","10.1021/jo4006987","","","0.71073","MoKα","","0.0504","0.0374","","0.0911","0.0854","0.0911","","","","","","0.9826","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028259","6.9155","0.0002","12.1618","0.0003","23.7255","0.0005","90","","90","","90","","1995.43","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O9 S -","- C18 H24 N2 O9 S -","- C72 H96 N8 O36 S4 -","4","1","","Baudouin Gerard; Maurice D. Lee; Sivaraman Dandapani; Jeremy R. Duvall; Mark E. Fitzgerald; Sarathy Kesavan; Jason T. Lowe; Jean-Charles Marié; Bhaumik A. Pandya; Byung-Chul Suh; Morgan Welzel O'Shea; Michael Dombrowski; Diane Hamann; Berenice Lemercier; Tiffanie Murillo; Lakshmi B. Akella; Michael A. Foley; Lisa A. Marcaurelle","Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides","Journal of Organic Chemistry","2013","78","","5160","5171","10.1021/jo4000916","","","1.54178","CuKα","","0.0323","0.0299","","","0.077","0.0789","","","","","","1.042","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028260","6.8352","0.0001","9.3359","0.0002","25.6298","0.0005","90","","90","","90","","1635.51","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O7 -","- C17 H18 N2 O7 -","- C68 H72 N8 O28 -","4","1","","Baudouin Gerard; Maurice D. Lee; Sivaraman Dandapani; Jeremy R. Duvall; Mark E. Fitzgerald; Sarathy Kesavan; Jason T. Lowe; Jean-Charles Marié; Bhaumik A. Pandya; Byung-Chul Suh; Morgan Welzel O'Shea; Michael Dombrowski; Diane Hamann; Berenice Lemercier; Tiffanie Murillo; Lakshmi B. Akella; Michael A. Foley; Lisa A. Marcaurelle","Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides","Journal of Organic Chemistry","2013","78","","5160","5171","10.1021/jo4000916","","","1.54178","CuKα","","0.0265","0.0263","","","0.0681","0.0683","","","","","","1.081","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028261","4.8157","0.0001","11.331","0.0002","54.7137","0.0011","90","","90","","90","","2985.55","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl3 N O7 -","- C31 H30 Cl3 N O7 -","- C124 H120 Cl12 N4 O28 -","4","1","","Baudouin Gerard; Maurice D. Lee; Sivaraman Dandapani; Jeremy R. Duvall; Mark E. Fitzgerald; Sarathy Kesavan; Jason T. Lowe; Jean-Charles Marié; Bhaumik A. Pandya; Byung-Chul Suh; Morgan Welzel O'Shea; Michael Dombrowski; Diane Hamann; Berenice Lemercier; Tiffanie Murillo; Lakshmi B. Akella; Michael A. Foley; Lisa A. Marcaurelle","Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides","Journal of Organic Chemistry","2013","78","","5160","5171","10.1021/jo4000916","","","1.54178","CuKα","","0.0481","0.0473","","","0.1245","0.1252","","","","","","1.098","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028273","6.3404","0.0001","12.4922","0.0001","15.402","0.0001","90","","90","","90","","1219.92","0.02","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","1.54178","CuKα","","0.0357","0.0337","","","0.0867","0.0887","","","","","","1.118","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028294","9.8042","0.0011","13.8629","0.0015","16.1318","0.0018","90","","90","","90","","2192.5","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 F N2 O4 -","- C21 H15 F N2 O4 -","- C84 H60 F4 N8 O16 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0734","0.061","","","0.142","0.1481","","","","","","1.084","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028303","6.2811","0.0002","9.4985","0.0005","31.822","0.002","90","","90","","90","","1898.53","0.17","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.0776","","","","0.2436","","","","","","1.506","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028319","10.7126","0.0011","12.2124","0.0012","13.293","0.0013","90","","90","","90","","1739.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 -","- C21 H26 N2 -","- C84 H104 N8 -","4","1","","Changxia Yuan; Chih-Tsung Chang; Dionicio Siegel","Syntheses of (+)-Complanadine A and Lycodine Derivatives by Regioselective [2 + 2 + 2] Cycloadditions","Journal of Organic Chemistry","2013","78","","5647","5668","10.1021/jo400695c","","","0.71073","MoKα","","0.0601","0.0459","","","0.1007","0.1074","","","","","","1.139","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028320","8.3331","0.0012","9.4612","0.0015","16.866","0.002","90","","90","","90","","1329.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","","Changxia Yuan; Chih-Tsung Chang; Dionicio Siegel","Syntheses of (+)-Complanadine A and Lycodine Derivatives by Regioselective [2 + 2 + 2] Cycloadditions","Journal of Organic Chemistry","2013","78","","5647","5668","10.1021/jo400695c","","","0.71075","MoKα","","0.0306","0.0287","","","0.0738","0.0747","","","","","","1.168","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028324","10.0113","0.0005","11.3161","0.0006","17.9297","0.0009","90","","90","","90","","2031.24","0.18","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O2 S -","- C20 H26 N2 O2 S -","- C80 H104 N8 O8 S4 -","4","1","","Xiang-Wei Liu; Chao Wang; Yan Yan; Yong-Qiang Wang; Jian Sun","An Organocatalyst Bearing Stereogenic Carbon and Sulfur Centers as an Efficient Promoter for Enantioselective Hydrosilylation of 1,4-Benzooxazines","Journal of Organic Chemistry","2013","78","","6276","6280","10.1021/jo400187e","","","0.7107","MoKα","","0.0976","0.054","","","0.1104","0.1285","","","","","","0.993","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028346","6.0714","0.0003","9.9275","0.0004","29.0711","0.0011","90","","90","","90","","1752.23","0.13","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N3 O5 -","- C15 H25 N3 O5 -","- C60 H100 N12 O20 -","4","1","","Amandine Altmayer-Henzien; Valérie Declerck; Denis Merlet; Jean-Pierre Baltaze; Jonathan Farjon; Régis Guillot; David J. Aitken","Solution State Conformational Preferences of Dipeptides Derived from N-Aminoazetidinecarboxylic Acid: An Assessment of the Hydrazino Turn","Journal of Organic Chemistry","2013","78","","6031","6039","10.1021/jo400736t","","","0.71073","MoKα","","0.0492","0.039","","","0.095","0.0999","","","","","","1.049","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028368","9.884","0.002","10.805","0.002","28.083","0.006","90","","90","","90","","2999.2","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl4 O3 P Ru -","- C30 H29 Cl4 O3 P Ru -","- C120 H116 Cl16 O12 P4 Ru4 -","4","1","","Ke Li; Naifu Hu; Renshi Luo; Weicheng Yuan; Wenjun Tang","A Chiral Ruthenium-Monophosphine Catalyst for Asymmetric Addition of Arylboronic Acids to Aryl Aldehydes","Journal of Organic Chemistry","2013","78","","6350","6355","10.1021/jo400850m","","","1.54178","CuKα","","0.031","0.0293","","","0.0704","0.0713","","","","","","1.043","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4028369","14.9082","0.0003","18.0949","0.0003","20.7986","0.0015","90","","90","","90","","5610.7","0.4","153.1","","153.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37.36 N O6.18 -","- C30 H37.36 N O6.18 -","- C240 H298.88 N8 O49.44 -","8","2","","Yuta Hashimoto; Kennosuke Itoh; Akikazu Kakehi; Motoo Shiro; Hiroyuki Suga","Diastereoselective Synthesis of Tetrahydrofurans by Lewis Acid Catalyzed Intermolecular Carbenoid-Carbonyl Reaction-Cycloaddition Sequences: Unusual Diastereoselectivity of Lewis Acid Catalyzed Cycloadditions","Journal of Organic Chemistry","2013","78","","6182","6195","10.1021/jo400858u","","","1.54187","CuKα","","","0.0619","","","","0.1601","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028379","6.6358","0.0003","6.8047","0.0004","25.913","0.001","90","","90","","90","","1170.09","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 O3 S -","- C12 H13 O3 S -","- C48 H52 O12 S4 -","4","1","","Gang Wang; Xia Chen; Gaohan Miao; Weijun Yao; Cheng Ma","Divergent NHC-Catalyzed Oxidative Transformations of 3-Bromoenal: Selective Synthesis of 2H-Pyran-2-ones and Chiral Dihydropyranones","Journal of Organic Chemistry","2013","78","","6223","6232","10.1021/jo400950j","","","0.71073","MoKα","","0.0704","0.0602","","","0.1813","0.1921","","","","","","1.104","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028385","8.2247","0.0004","12.0571","0.0006","26.649","0.001","90","","90","","90","","2642.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 I N2 O5 -","- C27 H31 I N2 O5 -","- C108 H124 I4 N8 O20 -","4","1","","Chitra R. Edwankar; Rahul V. Edwankar; Ojas A. Namjoshi; Xuebin Liao; James M. Cook","Stereospecific Approach to the Synthesis of Ring-A Oxygenated Sarpagine Indole Alkaloids. Total Synthesis of the Dimeric Indole Alkaloid P-(+)-Dispegatrine and Six Other Monomeric Indole Alkaloids","Journal of Organic Chemistry","2013","78","","6471","6487","10.1021/jo400469t","","","0.71073","MoKα","","0.0315","0.0301","","","0.075","0.0756","","","","","","1.071","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028393","5.8114","0.0005","10.6834","0.0009","32.091","0.003","90","","90","","90","","1992.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Fe2 O2 S2 -","- C22 H22 Fe2 O2 S2 -","- C88 H88 Fe8 O8 S8 -","4","1","","Noureddine Khiar; Álvaro Salvador; Victoria Valdivia; Ahmed Chelouan; Ana Alcudia; Eleuterio Álvarez; Inmaculada Fernández","Flexible C2-Symmetric Bis-Sulfoxides as Ligands in Enantioselective 1,4-Addition of Boronic Acids to Electron-Deficient Alkenes","Journal of Organic Chemistry","2013","78","","6510","6521","10.1021/jo400700m","","","0.71073","MoKα","","0.027","0.0241","","","0.0571","0.0584","","","","","","1.052","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028412","6.2411","0.0004","15.4844","0.0009","22.3655","0.0015","90","","90","","90","","2161.4","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 F2 N O4 -","- C24 H23 F2 N O4 -","- C96 H92 F8 N4 O16 -","4","1","","Marcin Śnieżek; Sebastian Stecko; Irma Panfil; Bartłomiej Furman; Marek Chmielewski","Total Synthesis of Ezetimibe, a Cholesterol Absorption Inhibitor","Journal of Organic Chemistry","2013","78","","7048","7057","10.1021/jo400807c","","","1.54178","CuKα","","0.062","0.0407","","","0.0923","0.1053","","","","","","1.038","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028413","7.845","0.0002","11.3855","0.0003","27.6202","0.0007","90","","90","","90","","2467.02","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 F2 N O3 -","- C31 H25 F2 N O3 -","- C124 H100 F8 N4 O12 -","4","1","","Marcin Śnieżek; Sebastian Stecko; Irma Panfil; Bartłomiej Furman; Marek Chmielewski","Total Synthesis of Ezetimibe, a Cholesterol Absorption Inhibitor","Journal of Organic Chemistry","2013","78","","7048","7057","10.1021/jo400807c","","","1.54178","CuKα","","0.044","0.0349","","","0.0881","0.0944","","","","","","1.041","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028415","5.5792","0.0007","7.6582","0.0004","14.7901","0.0014","90","","90","","90","","631.93","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","","Tatyana S. Shestakova; Zakhar O. Shenkarev; Sergey L. Deev; Oleg N. Chupakhin; Igor A. Khalymbadzha; Vladimir L. Rusinov; Alexander S. Arseniev","Long-Range 1H-15N J Couplings Providing a Method for Direct Studies of the Structure and Azide-Tetrazole Equilibrium in a Series of Azido-1,2,4-triazines and Azidopyrimidines","Journal of Organic Chemistry","2013","78","","6975","6982","10.1021/jo4008207","","","0.71073","MoKα","","0.0423","0.0292","","","0.0711","0.073","","","","","","1","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028417","7.643","0.0015","11.316","0.002","15.823","0.003","90","","90","","90","","1368.5","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C52 H80 O20 -","4","1","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.0354","0.0347","","","0.0913","0.0923","","","","","","1.09","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028419","5.336","","25.071","","29.472","","90","","90","","90","","3942.73","","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C144 H240 O48 -","12","3","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.144","0.075","","","0.1743","0.2226","","","","","","1.053","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028434","8.6862","0.0001","11.1107","0.0002","26.1274","0.0004","90","","90","","90","","2521.55","0.07","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","2","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.0429","0.0356","","0.0901","0.0876","0.0901","","","","","","0.9581","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028435","7.825","0.0002","8.9113","0.0002","18.7892","0.0005","90","","90","","90","","1310.19","0.06","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","1","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.0415","0.0332","","0.0823","0.0806","0.0823","","","","","","0.9131","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028457","5.9362","0.0003","7.6173","0.0003","23.4584","0.0012","90","","90","","90","","1060.74","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 P S -","- C13 H9 P S -","- C52 H36 P4 S4 -","4","1","","Joshua C. Worch; Danielle N. Chirdon; Andrew B. Maurer; Yunyan Qiu; Steven J. Geib; Stefan Bernhard; Kevin J. T. Noonan","Synthetic Tuning of Electronic and Photophysical Properties of 2-Aryl-1,3-Benzothiaphospholes","Journal of Organic Chemistry","2013","78","","7462","7469","10.1021/jo400947u","","","1.54178","CuKα","","0.0768","0.0721","","","0.2075","0.2114","","","","","","2.185","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028476","9.3313","0.0001","13.9522","0.0001","25.8239","0.0001","90","","90","","90","","3362.07","0.05","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br2 Cl2 N2 Si -","- C13 H12 Br2 Cl2 N2 Si -","- C104 H96 Br16 Cl16 N16 Si8 -","8","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.5418","CuKα","","0.0187","0.0187","","","0.0484","0.0484","","","","","","1.124","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028477","9.36","0.0001","14.3708","0.0001","26.1227","0.0002","90","","90","","90","","3513.78","0.05","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br2 Cl2 N2 Sn -","- C13 H12 Br2 Cl2 N2 Sn -","- C104 H96 Br16 Cl16 N16 Sn8 -","8","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.54184","CuKα","","0.0303","0.0302","","","0.0795","0.0796","","","","","","1.071","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028478","8.6743","0.0001","10.3483","0.0001","17.3438","0.0002","90","","90","","90","","1556.85","0.03","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5,5'-Dibromo-2,2'-dichloro-3-phenyl-[4,4']bipyridinyl","","- C16 H8 Br2 Cl2 N2 -","- C16 H8 Br2 Cl2 N2 -","- C64 H32 Br8 Cl8 N8 -","4","1","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","0.7107","MoKα","","0.0159","0.0152","","","0.0363","0.0366","","","","","","1.07","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028479","8.4324","0.0001","10.3748","0.0001","17.2945","0.0002","90","","90","","90","","1513","0.03","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H7 Br2 Cl2 N3 -","- C15 H7 Br2 Cl2 N3 -","- C60 H28 Br8 Cl8 N12 -","4","1","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.5418","CuKα","","0.0175","0.0173","","","0.0467","0.0467","","","","","","1.092","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028483","10.5504","0.0007","12.7378","0.0009","12.8597","0.0009","90","","90","","90","","1728.2","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br N2 O6 -","- C16 H17 Br N2 O6 -","- C64 H68 Br4 N8 O24 -","4","1","","Artur Noole; Kaja Ilmarinen; Ivar Järving; Margus Lopp; Tõnis Kanger","Asymmetric Synthesis of Congested Spiro-cyclopentaneoxindoles via an Organocatalytic Cascade Reaction","Journal of Organic Chemistry","2013","78","","8117","8122","10.1021/jo4008223","","","0.71073","MoKα","","0.0242","0.0216","","","0.0472","0.0478","","","","","","1.019","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028484","9.667","0.0002","11.1719","0.0002","19.3587","0.0004","90","","90","","90","","2090.72","0.07","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O3 -","- C23 H24 Br N O3 -","- C92 H96 Br4 N4 O12 -","4","1","","Khanh Hung Nguyen; Sophie Tomasi; Myriam Le Roch; Loïc Toupet; Jacques Renault; Philippe Uriac; Nicolas Gouault","Gold-Mediated Synthesis and Functionalization of Chiral Halopyridones","Journal of Organic Chemistry","2013","78","","7809","7815","10.1021/jo400827b","","","0.71073","MoKα","","0.0382","0.0274","","","0.0461","0.0473","","","","","","0.826","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028491","8.5849","0.0005","10.9787","0.0008","26.2197","0.0016","90","","90","","90","","2471.2","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 S2 -","- C24 H27 N O4 S2 -","- C96 H108 N4 O16 S8 -","4","1","","Akio Kamimura; Koichiro Miyazaki; Yu Yamane; Ryuichiro Yo; Shingo Ishikawa; Hidemitsu Uno; Michinori Sumimoto","A Radical Cascade Cyclization To Prepare Dihydrothiophenes Induced by Thiyl Radicals as Sulfur Biradical Equivalents","Journal of Organic Chemistry","2013","78","","7816","7822","10.1021/jo400975t","","","0.71075","MoKα","","","0.0386","","","","0.1143","","","","","","1.044","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028506","7.2135","0.0007","10.2319","0.0009","22.864","0.002","90","","90","","90","","1687.5","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Svetlana Postikova; Mohamad Sabbah; Daniel Wightman; Ich Tuan Nguyen; Morgane Sanselme; Thierry Besson; Jean-François Brière; Sylvain Oudeyer; Vincent Levacher","Developments in Meyers' Lactamization Methodology: En Route to Bi(hetero)aryl Structures with Defined Axial Chirality","Journal of Organic Chemistry","2013","78","","8191","8197","10.1021/jo401259w","","x-ray","0.71073","MoKα","","0.0404","0.0392","","","0.0997","0.1007","","","","","","1.099","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028529","7.996","0.002","8.27","0.002","28.609","0.007","90","","90","","90","","1891.8","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br O2 -","- C21 H25 Br O2 -","- C84 H100 Br4 O8 -","4","1","","Douglass F. Taber; James F. Berry","Construction of the Tricyclic A-B-C Core of the Veratrum Alkaloids","Journal of Organic Chemistry","2013","78","","8437","8441","10.1021/jo401158d","","","0.71073","MoKα","","0.0265","0.0241","","","0.067","0.0684","","","","","","1.025","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028535","7.89551","0.00009","17.34558","0.00016","22.8169","0.0002","90","","90","","90","","3124.82","0.05","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 N3 O7 -","- C32 H43 N3 O7 -","- C128 H172 N12 O28 -","4","1","","Suvendu Biswas; Nader E. Abo-Dya; Alexander Oliferenko; Amir Khiabani; Peter J. Steel; Khalid A. Alamry; Alan R. Katritzky","Oxyazapeptides: Synthesis, Structure Determination, and Conformational Analysis","Journal of Organic Chemistry","2013","78","","8502","8509","10.1021/jo401234g","","","1.54184","CuKα","","0.0385","0.0354","","","0.0895","0.0925","","","","","","1.026","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028536","8.132","0.003","12.16","0.005","15.703","0.006","90","","90","","90","","1552.8","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","","Chao Cheng; Zongwei Cai; Xiao-Shui Peng; Henry N. C. Wong","Enantiomeric Recognition of Amino Acid Salts by Macrocyclic Crown Ethers Derived from Enantiomerically Pure 1,8,9,16-Tetrahydroxytetraphenylenes","Journal of Organic Chemistry","2013","78","","8562","8573","10.1021/jo401240k","","","0.71073","MoKα","","0.0728","0.0561","","","0.1488","0.1596","","","","","","1.023","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028537","7.2906","0.0005","13.4966","0.0008","16.3088","0.001","90","","90","","90","","1604.76","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 I2 O2 -","- C16 H14 I2 O2 -","- C64 H56 I8 O8 -","4","1","","Chao Cheng; Zongwei Cai; Xiao-Shui Peng; Henry N. C. Wong","Enantiomeric Recognition of Amino Acid Salts by Macrocyclic Crown Ethers Derived from Enantiomerically Pure 1,8,9,16-Tetrahydroxytetraphenylenes","Journal of Organic Chemistry","2013","78","","8562","8573","10.1021/jo401240k","","","0.71073","MoKα","","0.026","0.0252","","","0.0612","0.0617","","","","","","1.307","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028573","7.1493","0.0003","12.2599","0.0005","19.056","0.0008","90","","90","","90","","1670.25","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","1","","Mani Raj Chaulagain; Albert E. Felten; Kevin Gilbert; Zachary D. Aron","Diastereo- and Enantioselective Three-Component Coupling Approach to Highly Substituted Pyrrolidines","Journal of Organic Chemistry","2013","78","","9471","9476","10.1021/jo401015y","","","1.54178","CuKα","","0.0325","0.0316","","","0.0829","0.084","","","","","","1.057","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028589","6.0534","0.0001","9.3596","0.0002","31.6166","0.0005","90","","90","","90","","1791.31","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","","Stephen Hanessian; Benjamin R. Schroeder; Bradley L. Merner; Bin Chen; Eric E. Swayze; Punit P. Seth","Synthesis of cis- and trans-α-l-[4.3.0]Bicyclo-DNA Monomers for Antisense Technology: Methods for the Diastereoselective Formation of Bicyclic Nucleosides","Journal of Organic Chemistry","2013","78","","9051","9063","10.1021/jo401166q","","","1.54178","CuKα","","0.036","0.0334","","","0.0888","0.0906","","","","","","1.06","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028590","7.6328","0.0004","14.1459","0.0006","41.464","0.0019","90","","90","","90","","4477","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N2 O6 Si -","- C19 H30 N2 O6 Si -","- C152 H240 N16 O48 Si8 -","8","2","","Stephen Hanessian; Jernej Wagger; Bradley L. Merner; Robert D. Giacometti; Michael E. Østergaard; Eric E. Swayze; Punit P. Seth","A constrained Tricyclic Nucleic Acid Analogue of α-l-LNA: Investigating the Effects of Dual Conformational Restriction on Duplex Thermal Stability","Journal of Organic Chemistry","2013","78","","9064","9075","10.1021/jo401170y","","","1.54178","CuKα","","0.1167","0.0763","","","0.2149","0.2389","","","","","","1.017","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028591","6.4711","0.0004","9.5163","0.0006","27.7291","0.0017","90","","90","","90","","1707.58","0.18","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C56 H72 N8 O24 -","4","1","","Stephen Hanessian; Jernej Wagger; Bradley L. Merner; Robert D. Giacometti; Michael E. Østergaard; Eric E. Swayze; Punit P. Seth","A constrained Tricyclic Nucleic Acid Analogue of α-l-LNA: Investigating the Effects of Dual Conformational Restriction on Duplex Thermal Stability","Journal of Organic Chemistry","2013","78","","9064","9075","10.1021/jo401170y","","","1.54178","CuKα","","0.0354","0.0338","","","0.0963","0.0977","","","","","","1.075","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028599","6.03","0.006","7.997","0.007","39.32","0.04","90","","90","","90","","1896","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-phenylglycinol salt of (+)-Trans-(1R,2R,5S)-3-(tert-butoxy- carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.","","- C19 H28 N2 O5 -","- C19 H28 N2 O5 -","- C76 H112 N8 O20 -","4","1","","Bettina Bakonyi; Markus Furegati; Christian Kramer; Luigi La Vecchia; Flavio Ossola","Synthesis of All Four Stereoisomers of 3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid","Journal of Organic Chemistry","2013","78","","9328","9339","10.1021/jo4013282","","","1.54178","CuKα","","0.0323","0.0318","","","0.0802","0.0805","","","","","","1.102","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028601","6.4739","0.0006","15.5769","0.0015","18.5242","0.0017","90","","90","","90","","1868","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Benito Alcaide; Pedro Almendros; Teresa Martínez del Campo; M. Rosario Torres","Synthesis of Fused-β-Lactams through Selective Gold-Catalyzed Oxycyclization of Dioxolane-Tethered Enynes","Journal of Organic Chemistry","2013","78","","8956","8965","10.1021/jo401390k","","","0.71073","MoKα","","0.135","0.0393","","","0.0798","0.1004","","","","","","0.998","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028605","9.0663","0.0017","10.2171","0.0019","17.358","0.003","90","","90","","90","","1607.9","0.5","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O S -","- C16 H25 N O S -","- C64 H100 N4 O4 S4 -","4","1","","Óscar Pablo; David Guijarro; Miguel Yus","Synthesis of Nitrogenated Heterocycles by Asymmetric Transfer Hydrogenation of N-(tert-Butylsulfinyl)haloimines","Journal of Organic Chemistry","2013","78","","9181","9189","10.1021/jo4014386","","","0.71073","MoKα","","0.0564","0.0407","","","0.0931","0.1036","","","","","","1.019","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028607","5.3357","0.0005","14.5791","0.0012","27.62","0.002","90","","90","","90","","2148.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0542","0.0521","","","0.1351","0.1372","","","","","","1.03","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028608","5.9321","0.0016","16.378","0.004","22.766","0.006","90","","90","","90","","2211.9","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.1043","0.0879","","","0.1926","0.2144","","","","","","1.08","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028609","5.6081","0.0014","17.574","0.004","23.186","0.006","90","","90","","90","","2285.1","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0755","0.0487","","","0.1017","0.1115","","","","","","0.906","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028610","5.9143","0.0019","16.418","0.005","23.943","0.008","90","","90","","90","","2324.9","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.1067","0.0843","","","0.1903","0.2025","","","","","","1.08","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028611","5.94","0.003","16.522","0.008","23.753","0.012","90","","90","","90","","2331","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0973","0.0722","","","0.1795","0.198","","","","","","1.096","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028612","5.608","0.0011","17.552","0.004","23.94","0.005","90","","90","","90","","2356.5","0.9","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0651","0.0586","","","0.1428","0.1464","","","","","","1.01","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028614","5.8548","0.0008","17.17","0.002","22.895","0.003","90","","90","","90","","2301.6","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C104 H124 N4 O24 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.063","0.0582","","","0.1246","0.1281","","","","","","1.005","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028615","9.5257","0.001","10.0665","0.0011","24.832","0.003","90","","90","","90","","2381.2","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C104 H124 N4 O24 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0481","0.0431","","","0.1145","0.1175","","","","","","1.024","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028626","6.079","0.002","27.279","0.01","41.157","0.015","90","","90","","90","","6825","4","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","frojc03","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C312 H348 N12 O60 -","12","3","","Jennifer Ciesielski; Vincent Gandon; Alison J. Frontier","Cascade Cyclizations of Acyclic and Macrocyclic Alkynones: Studies toward the Synthesis of Phomactin A","Journal of Organic Chemistry","2013","78","","9541","9552","10.1021/jo4007514","","","0.71073","MoKα","","0.1624","0.0642","","","0.0973","0.1257","","","","","","1.004","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028629","8.3131","0.0013","13.596","0.002","15.136","0.002","90","","90","","90","","1710.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Chih-Hau Chen; Gorakh S. Yellol; Cheng-Hsun Tsai; Prashant B. Dalvi; Chung-Ming Sun","Diastereoselective Synthesis of Bridged Polycyclic Alkaloids via Tandem Acylation/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","9738","9747","10.1021/jo401364s","","","0.71073","MoKα","","0.0419","0.0334","","","0.0797","0.0839","","","","","","1.082","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028635","7.4578","0.0007","9.7077","0.0008","50.505","0.004","90","","90","","90","","3656.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl0 N2 O2 -","- C9.06667 H19.2 Cl0.533333 N0.533333 -","- C136 H288 Cl8 N8 -","15","3.75","","Veerle Smout; Aldo Peschiulli; Stefan Verbeeck; Emily A. Mitchell; Wouter Herrebout; Patrick Bultinck; Christophe M. L. Vande Velde; Didier Berthelot; Lieven Meerpoel; Bert U. W. Maes","Removal of the Pyridine Directing Group from α-Substituted N-(Pyridin-2-yl)piperidines Obtained via Directed Ru-Catalyzed sp3 C-H Functionalization","Journal of Organic Chemistry","2013","78","","9803","9814","10.1021/jo401521y","","","0.71073","MoKα","","0.0679","0.0519","","","0.1166","0.1274","","","","","","1.063","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028653","8.615","0.0007","10.6071","0.0009","11.8897","0.001","90","","90","","90","","1086.48","0.16","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Br N -","- C10 H18 Br N -","- C40 H72 Br4 N4 -","4","1","","Zachary D. Aron; Tatsuya Ito; Tricia L. May; Larry E. Overman; Jocelyn Wang","Enantioselective Synthesis of Angularly Substituted 1-Azabicylic Rings: Coupled Dynamic Kinetic Epimerization and Chirality Transfer","Journal of Organic Chemistry","2013","78","","9929","9948","10.1021/jo4018099","","","0.71073","MoKα","","0.0225","0.0214","","","0.0573","0.0581","","","","","","1.062","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028654","6.5683","0.0016","13.156","0.003","13.674","0.003","90","","90","","90","","1181.6","0.5","158","2","158","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Br N -","- C11 H20 Br N -","- C44 H80 Br4 N4 -","4","1","","Zachary D. Aron; Tatsuya Ito; Tricia L. May; Larry E. Overman; Jocelyn Wang","Enantioselective Synthesis of Angularly Substituted 1-Azabicylic Rings: Coupled Dynamic Kinetic Epimerization and Chirality Transfer","Journal of Organic Chemistry","2013","78","","9929","9948","10.1021/jo4018099","","","0.71073","MoKα","","0.0349","0.0295","","","0.0718","0.0737","","","","","","1.093","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028662","11.9456","0.0011","12.2757","0.0012","18.78","0.002","90","","90","","90","","2753.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","2","","Jing Long; Ya-Hui Ding; Pan-Pan Wang; Quan Zhang; Yue Chen","Protection-Group-Free Semisyntheses of Parthenolide and Its Cyclopropyl Analogue","Journal of Organic Chemistry","2013","78","","10512","10518","10.1021/jo401606q","","","1.54187","CuKα","","0.0737","0.0683","","","0.1403","0.1499","","","","","","1.085","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028663","6.8519","0.0015","13.52","0.003","14.696","0.003","90","","90","","90","","1361.4","0.5","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Jing Long; Ya-Hui Ding; Pan-Pan Wang; Quan Zhang; Yue Chen","Protection-Group-Free Semisyntheses of Parthenolide and Its Cyclopropyl Analogue","Journal of Organic Chemistry","2013","78","","10512","10518","10.1021/jo401606q","","","0.71073","MoKα","","0.0362","0.032","","","0.071","0.0723","","","","","","1.037","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028674","8.411","0.002","10.24","0.003","30.534","0.008","90","","90","","90","","2629.9","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O8 -","- C24 H40 N2 O8 -","- C96 H160 N8 O32 -","4","1","","Jian-She Zhu; Shinpei Nakagawa; Wei Chen; Isao Adachi; Yue-Mei Jia; Xiang-Guo Hu; George W. J. Fleet; Francis X. Wilson; Teruhiko Nitoda; Graeme Horne; Renate van Well; Atsushi Kato; Chu-Yi Yu","Synthesis of Eight Stereoisomers of Pochonicine: Nanomolar Inhibition of β-N-Acetylhexosaminidases","Journal of Organic Chemistry","2013","78","","10298","10309","10.1021/jo401694e","","","0.71073","MoKα","","0.0418","0.0398","","","0.1056","0.1136","","","","","","1.172","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028685","6.094","0.0005","16.4155","0.0018","19.6133","0.0012","90","","90","","90","","1962","0.3","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N O4 P S -","- C19 H22 N O4 P S -","- C76 H88 N4 O16 P4 S4 -","4","1","","Wen-Yong Han; Jian-Qiang Zhao; Zhi-Jun Wu; Xiao-Mei Zhang; Wei-Cheng Yuan","Asymmetric Synthesis of β-Hydroxy-α-amino Phosphonic Acid Derivatives via Organocatalytic Direct Aldol Reaction of α-Isothiocyanato Phosphonates with Aldehydes","Journal of Organic Chemistry","2013","78","","10541","10547","10.1021/jo401779x","","","0.71073","MoKα","","0.1007","0.0611","","","0.1313","0.158","","","","","","1.019","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028697","8.5555","0.0003","10.1638","0.0004","19.309","0.0008","90","","90","","90","","1679.04","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 F3 O2 S -","- C18 H15 F3 O2 S -","- C72 H60 F12 O8 S4 -","4","1","","Yu Su; Jun-Bing Ling; Shuang Zhang; Peng-Fei Xu","Organocatalytic Cascade Sulfa-Michael/Aldol Reaction of β,β-Disubstituted Enones: Enantioselective Synthesis of Tetrahydrothiophenes with a Trifluoromethylated Quaternary Center","Journal of Organic Chemistry","2013","78","","11053","11058","10.1021/jo4016024","","","0.7107","MoKα","","0.079","0.0504","","","0.1357","0.1707","","","","","","0.931","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028712","7.1089","0.0003","7.2805","0.0003","20.2476","0.0008","90","","90","","90","","1047.94","0.07","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0521","0.0339","","","0.0686","0.0717","","","","","","0.878","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028713","8.785","0.0003","10.6361","0.0004","38.731","0.0019","90","","90","","90","","3619","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H56 O5 Si2 -","- C35 H56 O5 Si2 -","- C140 H224 O20 Si8 -","4","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0866","0.0509","","","0.0933","0.1001","","","","","","0.928","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028715","6.56651","0.00013","11.1912","0.0003","22.4202","0.0005","90","","90","","90","","1647.6","0.07","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O2 S -","- C17 H20 N2 O2 S -","- C68 H80 N8 O8 S4 -","4","1","","Yuka Amako; Hiroto Hori; Shigeru Arai; Atsushi Nishida","Regioselective Hydronickelation of Allenes and Its Application to the Hydrocyanative Carbocyclization Reaction of Allene-Ynes and Bis-Allenes","Journal of Organic Chemistry","2013","78","","10763","10775","10.1021/jo401758v","","","1.54187","CuKα","","0.0591","0.0536","","","0.1317","0.1365","","","","","","1.11","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028728","5.9205","0.0006","11.3365","0.0013","29.609","0.003","90","","90","","90","","1987.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Zenghui Lu; Fang Luo; Lina Wang; Gangguo Zhu","Palladium-Catalyzed Direct Alkenylation of 2-Oxazolones: An Entry to 3,4,5-Trisubstituted 2-Oxazolones","Journal of Organic Chemistry","2013","78","","10894","10901","10.1021/jo4018793","","","0.71073","MoKα","","0.1069","0.0464","","","0.1006","0.1241","","","","","","0.926","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028757","7.0511","0.0002","9.8605","0.0002","24.4965","0.0006","90","","90","","90","","1703.18","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3aS,6S,6aR)-methyl 6-(hydroxymethyl)-4-oxo-1-tosylhexahydro -1H-furo[3,4-b]pyrrole-2-carboxylate","","- C16 H19 N O7 S -","- C16 H19 N O7 S -","- C64 H76 N4 O28 S4 -","4","1","","José A. Gálvez; María D. Díaz-de-Villegas; Miriam Alías; Ramón Badorrey","Chiral Iminoesters Derived fromd-Glyceraldehyde in [3 + 2] Cycloaddition Reactions. Asymmetric Synthesis of a Key Intermediate in the Synthesis of Neuramidinase Inhibitors","Journal of Organic Chemistry","2013","78","","11404","11413","10.1021/jo401967a","","","0.71073","MoKα","","0.0541","0.0412","","","0.09","0.0969","","","","","","1.031","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028766","10.46","0.0008","16.7619","0.0015","19.5379","0.0017","90","","90","","90","","3425.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,4'R,5'R)-'N,N-dimethyl-3-[4',5'-bis(methoxydiphenylmethyl)- 1',3',2'-dioxaborolan-2'-yl]-5-methyl-hex-4-en amide","","- C39 H44 B N O5 -","- C39 H44 B N O5 -","- C156 H176 B4 N4 O20 -","4","1","","Roza Vahabi; Wolfgang Frey; Jörg Pietruszka","Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes","Journal of Organic Chemistry","2013","78","","11549","11559","10.1021/jo402130u","","","0.71073","MoKα","","0.0562","0.0399","","","0.0823","0.0873","","","","","","1.033","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028767","10.8054","0.0008","15.9392","0.0013","20.1881","0.0017","90","","90","","90","","3477","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3R,4'R,5'R)-N,N-dimethyl-3-[4',5'-bis(methoxydiphenylmethyl)- 1',3',2'-dioxaborolan-2'-yl]-5-methyl-hex-4-en amide","","- C39 H44 B N O5 -","- C39 H44 B N O5 -","- C156 H176 B4 N4 O20 -","4","1","","Roza Vahabi; Wolfgang Frey; Jörg Pietruszka","Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes","Journal of Organic Chemistry","2013","78","","11549","11559","10.1021/jo402130u","","","0.71073","MoKα","","0.069","0.0454","","","0.0859","0.0917","","","","","","1.024","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028770","10.102","0.0006","10.1363","0.0006","46.985","0.003","90","","90","","90","","4811.1","0.5","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N3 O4 -","- C26 H33 N3 O4 -","- C208 H264 N24 O32 -","8","2","","Sean K. Liew; Zhi He; Jeffrey D. St. Denis; Andrei K. Yudin","Stereocontrolled Synthesis of 1,2- and 1,3-Diamine Building Blocks from Aziridine Aldehyde Dimers","Journal of Organic Chemistry","2013","78","","11637","11645","10.1021/jo401489q","","","1.54178","CuKα","","0.0313","0.0309","","","0.0763","0.077","","","","","","1.072","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028795","7.6054","0.0014","11.951","0.004","17.019","0.006","90","","90","","90","","1546.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo","Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)","Journal of Organic Chemistry","2013","78","","11824","11834","10.1021/jo401867e","","","0.71073","MoKα","","0.2406","0.0813","","","0.0658","0.1049","","","","","","0.986","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028804","5.7023","0.0014","18.621","0.004","20.8","0.005","90","","90","","90","","2208.6","0.9","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O -","- C28 H26 N2 O -","- C112 H104 N8 O4 -","4","1","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.1461","0.0669","","","0.1428","0.1876","","","","","","0.959","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028809","9.4784","0.0008","9.4781","0.0007","46.173","0.004","90","","90","","90","","4148.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 Cl2 N2 O -","- C21 H24 Cl2 N2 O -","- C168 H192 Cl16 N16 O8 -","8","2","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MoKα","","0.1644","0.0503","","","0.1064","0.1419","","","","","","0.851","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4028831","14.9724","0.0015","16.2335","0.0017","38.546","0.004","90","","90","","90","","9368.8","1.7","90","2","90","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Leu-D-Leu-Aib)4-OMe.2H2O.2.48C4H8O2","","- C79.92 H151.84 N12 O21.96 -","- C79.92 H151.84 N12 O21.96 -","- C319.68 H607.36 N48 O87.84 -","4","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.084","0.0683","","","0.1776","0.1881","","","","","","1.045","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028832","10.767","0.0012","20.452","0.002","39.305","0.004","90","","90","","90","","8655.2","1.6","90","2","90","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Leu-Aib-D-Leu)4-OMe.CH3OH","","- C71 H132 N12 O16 -","- C71 H132 N12 O16 -","- C284 H528 N48 O64 -","4","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.0748","0.0731","","","0.2131","0.215","","","","","","1.103","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028853","5.6271","0.0016","13.257","0.004","20.571","0.007","90","","90","","90","","1534.6","0.8","178","2","178","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 S -","- C15 H22 O3 S -","- C60 H88 O12 S4 -","4","1","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.0792","0.0582","","","0.1419","0.16","","","","","","1.028","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028872","9.809","0.001","10.7205","0.0009","17.2919","0.0016","90","","90","","90","","1818.4","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O8 -","- C17 H20 Br N O8 -","- C68 H80 Br4 N4 O32 -","4","1","","Raquel G. Soengas; Humberto Rodríguez-Solla; Artur M. S. Silva; Ricardo Llavona; Filipe A. Almeida Paz","Synthesis of Enantiopure 2-C-Glycosyl-3-nitrochromenes","Journal of Organic Chemistry","2013","78","","12831","12836","10.1021/jo4021634","","","0.71073","MoKα","","0.0316","0.0269","","","0.0606","0.0624","","","","","","1.05","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028878","11.5447","0.0004","14.427","0.0005","19.4717","0.0007","90","","90","","90","","3243.1","0.2","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Cl3 F6 N4 O2 -","- C31 H29 Cl3 F6 N4 O2 -","- C124 H116 Cl12 F24 N16 O8 -","4","1","","Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu","Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol","Journal of Organic Chemistry","2013","78","","12671","12680","10.1021/jo402277p","","","0.71073","MoKα","","0.0648","0.0536","","","0.1278","0.1349","","","","","","0.928","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028916","7.8934","0.0002","9.044","0.0002","11.2187","0.0003","90","","90","","90","","800.88","0.03","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-1,4,5-Trimethyl-2,3-piperazynodione","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C28 H48 N8 O8 -","4","1","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0338","0.0304","","","0.0793","0.0828","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028917","6.403","0.0012","11.526","0.002","12.735","0.003","90","","90","","90","","939.9","0.3","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","148C","(R)-1,4,5-Trimethyl-2,3-piperazinodithione","","- C7 H12 N2 S2 -","- C7 H12 N2 S2 -","- C28 H48 N8 S8 -","4","1","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0422","0.0402","","","0.0936","0.0949","","","","","","1.103","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028921","7.3532","0.0005","8.6308","0.0006","18.8901","0.0013","90","","90","","90","","1198.84","0.14","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1,4-Dimethyl-5-benzyl-2,3-piperazinedione","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Piotrkowska, Barbara; Myślińska, Małgorzata; Gdaniec, Maria; Herman, Aleksander; Połoński, Tadeusz","Conformational Properties, Chiroptical Spectra, and Molecular Self-Assembly of 2,3-Piperazinodiones and Their Dithiono Analogues","The Journal of Organic Chemistry","2008","73","7","2852","2861","10.1021/jo800037w","","","0.71073","MoKα","","0.0485","0.0365","","","0.0811","0.0862","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028952","5.9404","0.0004","12.3076","0.0008","21.338","0.003","90","","90","","90","","1560.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C56 H100 N4 O24 -","4","1","","Aravind, Appu; Sankar, Muthukumar Gomathi; Varghese, Babu; Baskaran, Sundarababu","Regioselective Reductive Cleavage of Bis-benzylidene Acetal: Stereoselective Synthesis of Anticancer Agent OGT2378 and Glycosidase Inhibitor 1,4-Dideoxy-1,4-imino-l-xylitol","The Journal of Organic Chemistry","2009","74","7","2858","2861","10.1021/jo900030p","","","1.5418","CuKα","","0.0278","0.027","","","0.0724","0.0732","","","","","","1.119","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028977","10.0598","0.0005","10.3875","0.0005","27.6339","0.0014","90","","90","","90","","2887.6","0.2","153","","153","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 I O4 Si -","- C30 H39 I O4 Si -","- C120 H156 I4 O16 Si4 -","4","1","","Akahori, Yoshihiro; Yamakoshi, Hiroyuki; Sawayama, Yuki; Hashimoto, Shunichi; Nakamura, Seiichi","Synthesis of Chiral Building Blocks for Oxygenated Terpenoids through a Simultaneous and Stereocontrolled Construction of Contiguous Quaternary Stereocenters by an Ireland-Claisen Rearrangement.","The Journal of organic chemistry","2014","79","2","720","735","10.1021/jo402537u","","","0.71073","MoKα","","0.0274","0.0264","","","0.0624","0.0629","","","","","","1.021","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028986","5.8546","0.0015","12.369","0.003","25.48","0.006","90","","90","","90","","1845.1","0.8","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O3 S -","- C19 H18 Br N O3 S -","- C76 H72 Br4 N4 O12 S4 -","4","1","","Morrill, Louis C.; Smith, Samuel M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids.","The Journal of organic chemistry","2014","79","4","1640","1655","10.1021/jo402591v","","","0.71075","MoKα","","","0.0411","","","","0.0829","","","","","","0.992","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028990","9.9059","0.0013","13.8595","0.0018","16.783","0.003","90","","90","","90","","2304.2","0.6","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O4 S -","- C23 H22 Br N O4 S -","- C92 H88 Br4 N4 O16 S4 -","4","1","","Smith, Siobhan R.; Douglas, James; Prevet, Hugues; Shapland, Peter; Slawin, Alexandra M. Z.; Smith, Andrew D.","Isothiourea-Catalyzed Asymmetric Synthesis of β-Lactams and β-Amino Esters from Arylacetic Acid Derivatives and N-Sulfonylaldimines.","The Journal of organic chemistry","2014","79","4","1626","1639","10.1021/jo402590m","","","0.71075","MoKα","","","0.0417","","","","0.0718","","","","","","0.973","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028994","9.6008","0.0001","12.0613","0.0002","22.8444","0.0003","90","","90","","90","","2645.34","0.06","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 N3 O3 -","- C32 H33 N3 O3 -","- C128 H132 N12 O12 -","4","1","","Azuma, Takumi; Kobayashi, Yusuke; Sakata, Ken; Sasamori, Takahiro; Tokitoh, Norihiro; Takemoto, Yoshiji","Synthesis and characterization of binary-complex models of ureas and 1,3-dicarbonyl compounds: deeper insights into reaction mechanisms using snap-shot structural analysis.","The Journal of organic chemistry","2014","79","4","1805","1817","10.1021/jo4028775","","","0.71075","MoKα","","0.0295","0.0274","","","0.0651","0.0665","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029005","11.7403","0.0004","12.2518","0.0004","14.731","0.0005","90","","90","","90","","2118.9","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Br N2 O3 S2 -","- C17 H25 Br N2 O3 S2 -","- C68 H100 Br4 N8 O12 S8 -","4","1","","Kim, Jihyun; Kim, Hyuna; Kim, Nana; Yu, Chan-Mo","Regulation of Diastereoselectivity in the Carbocyclization of Allenyl (S)-N-tert-Butylsulfinimines through a Three-Component Assembly.","The Journal of organic chemistry","2014","79","3","1040","","10.1021/jo4025072","","","0.71073","MoKα","","0.0639","0.0346","","","0.0739","0.083","","","","","","1.01","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029006","6.6611","0.0011","15.257","0.002","26.691","0.004","90","","90","","90","","2712.6","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H38 N2 O4 S2 Sn -","- C21 H36 N2 O4 S2 Sn -","- C84 H144 N8 O16 S8 Sn4 -","4","1","","Kim, Jihyun; Kim, Hyuna; Kim, Nana; Yu, Chan-Mo","Regulation of Diastereoselectivity in the Carbocyclization of Allenyl (S)-N-tert-Butylsulfinimines through a Three-Component Assembly.","The Journal of organic chemistry","2014","79","3","1040","","10.1021/jo4025072","","","0.71073","MoKα","","0.3073","0.0731","","","0.1209","0.1757","","","","","","0.897","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029010","9.8869","0.0005","9.9389","0.0006","16.1785","0.0009","90","","90","","90","","1589.78","0.15","","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N O3 P -","- C17 H20 N O3 P -","- C68 H80 N4 O12 P4 -","4","1","","Qu, Bo; Samankumara, Lalith P.; Savoie, Jolaine; Fandrick, Daniel R.; Haddad, Nizar; Wei, Xudong; Ma, Shengli; Lee, Heewon; Rodriguez, Sonia; Busacca, Carl A.; Yee, Nathan K.; Song, Jinhua J.; Senanayake, Chris H.","Synthesis of Pyridyl-dihydrobenzooxaphosphole Ligands and Their Application in Asymmetric Hydrogenation of Unfunctionalized Alkenes.","The Journal of organic chemistry","2014","79","3","993","","10.1021/jo4024864","","","1.54178","CuKα","","0.0263","0.0261","","","","0.0689","","","","","","1.0439","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029039","6.1167","0.0017","13.975","0.002","14.558","0.002","90","","90","","90","","1244.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 F N2 O5 -","- C12 H15 F N2 O5 -","- C48 H60 F4 N8 O20 -","4","1","","Dugovic, Branislav; Leumann, Christian J.","A 6'-Fluoro-Substituent in Bicyclo-DNA Increases Affinity to Complementary RNA Presumably by CF-HC Pseudohydrogen Bonds.","The Journal of organic chemistry","2014","79","3","1271","","10.1021/jo402690j","","","0.71073","MoKα","","0.0827","0.0589","","","0.13","0.1418","","","","","","1.053","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029042","11.448","0.0002","14.0412","0.0002","29.0912","0.0004","90","","90","","90","","4676.23","0.12","173","0.14","173","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O7 -","- C14 H20 O7 -","- C168 H240 O84 -","12","3","","Song, Liyan; Lee, Ka-Ho; Lin, Zhenyang; Tong, Rongbiao","Structural Revision of Cephalosporolide J and Bassianolone.","The Journal of organic chemistry","2014","79","3","1493","","10.1021/jo402602h","","","1.5418","CuKα","","0.0496","0.048","","","0.1245","0.1261","","","","","","1.002","","","","has coordinates,has disorder","178469","2020-10-21","18:00:00",""
"4029043","5.5597","0.0001","8.6192","0.0003","21.5904","0.0006","90","","90","","90","","1034.62","0.05","173","0.14","173","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C40 H64 O20 -","4","1","","Song, Liyan; Lee, Ka-Ho; Lin, Zhenyang; Tong, Rongbiao","Structural Revision of Cephalosporolide J and Bassianolone.","The Journal of organic chemistry","2014","79","3","1493","","10.1021/jo402602h","","x-ray","1.5418","CuKα","","0.0329","0.0323","","","0.0822","0.0827","","","","","","1.004","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029064","5.5429","0.0006","8.4278","0.0009","34.013","0.003","90","","90","","90","","1588.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wang, Li-Jing; Zhu, Hai-Tao; Wang, An-Qi; Qiu, Yi-Feng; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed tandem [3,3]-propargyl ester rearrangement leading to (E)-1H-inden-1-ones.","The Journal of organic chemistry","2014","79","1","204","212","10.1021/jo402396h","","","0.71073","MoKα","","0.1001","0.0664","","","0.1412","0.1653","","","","","","1.077","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029069","5.8893","0.0003","8.5161","0.0005","28.35","0.002","90","","90","","90","","1421.86","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-(Pyridin-2-yl)piperazin-1-yl)benzo[d]thiazole","","- C16 H16 N4 S -","- C16 H16 N4 S -","- C64 H64 N16 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.065","0.0455","","","0.0811","0.0904","","","","","","1.041","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029070","4.75","0.005","13.031","0.005","18.356","0.005","90","0.005","90","0.005","90","0.005","1136.2","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(1H-benzo[d][1,2,3]triazol-1-yl)benzo[d]thiazole","","- C13 H8 N4 S -","- C13 H8 N4 S -","- C52 H32 N16 S4 -","4","1","","Kumar, Dhananjay; Mishra, Bhuwan B.; Tiwari, Vinod K.","Synthesis of 2-N/S/C-substituted benzothiazoles via intramolecular cyclative cleavage of benzotriazole ring.","The Journal of organic chemistry","2014","79","1","251","266","10.1021/jo4024107","","x-ray","0.71073","MoKα","","0.064","0.048","","","0.092","0.1011","","","","","","1.044","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029078","10.0279","0.001","10.062","0.0009","21.191","0.002","90","","90","","90","","2138.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O4 -","- C22 H30 N2 O4 -","- C88 H120 N8 O16 -","4","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","0.71073","MoKα","","0.0605","0.0409","","","0.0912","0.0999","","","","","","1.016","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029079","9.9069","0.0009","10.5077","0.0009","20.4388","0.0019","90","","90","","90","","2127.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C84 H120 N8 O16 -","4","1","","Ding, Rui; Fu, Jian-Guo; Xu, Guang-Qiang; Sun, Bing-Feng; Lin, Guo-Qiang","Divergent total synthesis of the Lycopodium alkaloids huperzine A, huperzine B, and huperzine U.","The Journal of organic chemistry","2014","79","1","240","250","10.1021/jo402419h","","","0.71073","MoKα","","0.0743","0.0459","","","0.0912","0.1018","","","","","","1.011","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029098","6.3351","0.0004","10.3758","0.0007","22.9687","0.0017","90","","90","","90","","1509.77","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","064-1","","","- C18 H10 Br N3 O2 -","- C18 H10 Br N3 O2 -","- C72 H40 Br4 N12 O8 -","4","1","","Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew D.; Nielsen, Mogens Brøndsted","Syntheses of donor-acceptor-functionalized dihydroazulenes.","The Journal of organic chemistry","2014","79","1","41","64","10.1021/jo4020326","","","0.71073","MoKα","","0.086","0.0464","","","0.0765","0.0859","","","","","","0.982","","","","has coordinates","178469","2020-10-21","18:00:00",""
"4029106","3.8649","0.0002","11.0897","0.0005","26.1706","0.0017","90","","90","","90","","1121.69","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 Br2 Cl N2 -","- C11 H7 Br2 Cl N2 -","- C44 H28 Br8 Cl4 N8 -","4","1","","Vamos, Mitchell; Cosford, Nicholas D. P.","2-Aminopyridines via Reaction of Pyridine N-Oxides and Activated Isocyanides.","The Journal of organic chemistry","2014","79","5","2274","2280","10.1021/jo402693s","","","0.71073","MoKα","","0.0196","0.0178","","","0.0399","0.0406","","","","","","1.069","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029110","6.4284","0.0009","14.765","0.002","19.116","0.003","90","","90","","90","","1814.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 S2 Si2 -","- C14 H22 S2 Si2 -","- C56 H88 S8 Si8 -","4","1","","Wang, Yong; Song, Jinsheng; Xu, Li; Kan, Yuhe; Shi, Jianwu; Wang, Hua","Synthesis and characterization of cyclooctatetrathiophenes with different connection sequences.","The Journal of organic chemistry","2014","79","5","2255","2262","10.1021/jo500278d","","","0.71073","MoKα","","0.0359","0.0309","","","0.0794","0.083","","","","","","1.041","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029169","6.054","0.0007","9.948","0.0014","20.427","0.003","90","","90","","90","","1230.2","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","1","","Jiménez-Osés, Gonzalo; Aydillo, Carlos; Busto, Jesús H; Zurbano, María M; Peregrina, Jesús M; Avenoza, Alberto","Influence of amino Acid stereocenters on the formation of bicyclic n,o-acetals.","The Journal of organic chemistry","2014","79","6","2556","2563","10.1021/jo500015c","","","0.71073","MoKα","","0.1589","0.0913","","","0.1901","0.2263","","","","","","1.098","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029174","7.8008","0.0002","20.418","0.0004","23.6928","0.0017","90","","90","","90","","3773.7","0.3","260","0.02","260","0.02","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H45 N O5 S2 -","- C39 H45 N O5 S2 -","- C156 H180 N4 O20 S8 -","4","1","","Padungros, Panuwat; Alberch, Laura; Wei, Alexander","Glycosyl Dithiocarbamates: β-Selective Couplings without Auxiliary Groups.","The Journal of organic chemistry","2014","79","6","2611","2624","10.1021/jo500032k","","","1.54184","CU-Kα","","0.066","0.039","","","0.084","0.111","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029177","5.9223","0.0002","7.4335","0.0002","46.204","0.001","90","","90","","90","","2034.06","0.1","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 O7 P -","- C21 H27 O7 P -","- C84 H108 O28 P4 -","4","1","","Son, Se-Mi; Lee, Hyeon-Kyu","Dynamic Kinetic Resolution Based Asymmetric Transfer Hydrogenation of α-Alkoxy-β-Ketophosphonates. Diastereo- and Enantioselective Synthesis of Monoprotected 1,2-Dihydroxyphosphonates.","The Journal of organic chemistry","2014","79","6","2666","2681","10.1021/jo500148j","","","0.71073","MoKα","","0.0784","0.0563","","","0.095","0.1028","","","","","","1.112","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029178","9.8635","0.0005","9.864","","20.2533","0.0013","90","","90","","90","","1970.52","0.16","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N O6 P -","- C18 H26 N O6 P -","- C72 H104 N4 O24 P4 -","4","1","","Son, Se-Mi; Lee, Hyeon-Kyu","Dynamic Kinetic Resolution Based Asymmetric Transfer Hydrogenation of α-Alkoxy-β-Ketophosphonates. Diastereo- and Enantioselective Synthesis of Monoprotected 1,2-Dihydroxyphosphonates.","The Journal of organic chemistry","2014","79","6","2666","2681","10.1021/jo500148j","","","0.71073","MoKα","","0.0555","0.0412","","","0.0765","0.0809","","","","","","0.937","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029183","10.322","0.003","11.312","0.004","18.663","0.006","90","","90","","90","","2179.1","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Boc-Ala-S-)2","","","- C16 H28 N2 O6 S2 -","- C16 H28 N2 O6 S2 -","- C64 H112 N8 O24 S8 -","4","1","","Mali, Sachitanand M.; Gopi, Hosahudya N.","Thioacetic Acid/NaSH-Mediated Synthesis of N-Protected Amino Thioacids and Their Utility in Peptide Synthesis.","The Journal of organic chemistry","2014","79","6","2377","2383","10.1021/jo402872p","","","0.71073","MoKα","","0.1518","0.0684","","","0.117","0.1484","","","","","","0.943","","","","has coordinates","178470","2020-10-21","18:00:00",""
"4029215","7.8354","0.0002","16.7282","0.0005","17.0838","0.0005","90","","90","","90","","2239.21","0.11","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 N2 O5 -","- C28 H22 N2 O5 -","- C112 H88 N8 O20 -","4","1","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0388","0.0332","","0.0787","0.076","0.0787","","","","","","1.0277","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029216","10.3113","0.0001","15.9233","0.0002","17.7014","0.0003","90","","90","","90","","2906.39","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O5 -","- C16 H16 N2 O5 -","- C128 H128 N16 O40 -","8","2","","Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S","Furanodendralenes.","The Journal of organic chemistry","2014","79","7","3185","3193","10.1021/jo500458y","","","0.71073","MoKα","","0.0393","0.0339","","0.0801","0.0777","0.0801","","","","","","1.0123","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029225","5.8152","0.0007","14.74","0.0017","18.259","0.002","90","","90","","90","","1565.1","0.3","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl F N O S -","- C14 H19 Cl F N O S -","- C56 H76 Cl4 F4 N4 O4 S4 -","4","1","","Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines.","The Journal of organic chemistry","2014","79","7","2916","2925","10.1021/jo402810s","","x-ray","0.71073","MoKα","","0.0488","0.0456","","","0.1238","0.1266","","","","","","1.084","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029227","7.502","0.0009","24.273","0.003","12.3458","0.0016","90","","90","","90","","2248.1","0.5","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 F N O2 S -","- C25 H26 F N O2 S -","- C100 H104 F4 N4 O8 S4 -","4","1","","Lemonnier, Gérald; Hijfte, Nathalie Van; Poisson, Thomas; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Indium-promoted diastereoselective addition of fluorinated haloallylic derivatives to imines.","The Journal of organic chemistry","2014","79","7","2916","2925","10.1021/jo402810s","","x-ray","0.71073","MoKα","","0.0673","0.0551","","","0.1263","0.1322","","","","","","1.082","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029231","9.151","0.005","10.361","0.007","18.314","0.015","90","","90","","90","","1736","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","","Mancuso, Raffaella; Ziccarelli, Ida; Armentano, Donatella; Marino, Nadia; Giofrè, Salvatore V; Gabriele, Bartolo","Divergent palladium iodide catalyzed multicomponent carbonylative approaches to functionalized isoindolinone and isobenzofuranimine derivatives.","The Journal of organic chemistry","2014","79","8","3506","3518","10.1021/jo500281h","","","0.71073","MoKα","","0.0394","0.0355","","","0.0901","0.0945","","","","","","1.088","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029233","11.464","0.0007","13.4589","0.0008","14.008","0.0008","90","","90","","90","","2161.3","0.2","90","0.1","90","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O7 -","- C25 H28 O7 -","- C100 H112 O28 -","4","1","","Centko, Ryan M; Williams, David E; Patrick, Brian O; Akhtar, Yasmin; Garcia Chavez, Miguel Angel; Wang, Yan Alexander; Isman, Murray B; de Silva, E Dilip; Andersen, Raymond J","Dhilirolides E-N, Meroterpenoids Produced in Culture by the Fungus Penicillium purpurogenum Collected in Sri Lanka: Structure Elucidation, Stable Isotope Feeding Studies, and Insecticidal Activity.","The Journal of organic chemistry","2014","79","8","3327","3335","10.1021/jo4024039","","","1.54178","CuKα","","0.0267","0.0264","","","0.0695","0.0698","","","","","","1.038","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029239","5.1685","0.0002","10.4961","0.0004","21.9445","0.0007","90","","90","","90","","1190.47","0.07","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O6 -","- C13 H14 O6 -","- C52 H56 O24 -","4","1","","Lan, Ping; Banwell, Martin G; Willis, Anthony C","Chemoenzymatic Total Syntheses of Ribisins A, B, and D, Polyoxygenated Benzofuran Derivatives Displaying NGF-Potentiating Properties.","The Journal of organic chemistry","2014","79","7","2829","2842","10.1021/jo500210k","","","0.71073","MoKα","","0.0579","0.0369","","0.0841","0.0757","0.0841","","","","","","0.9872","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029240","4.7511","0.0005","13.5474","0.001","20.995","0.0018","90","","90","","90","","1351.3","0.2","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O7 -","- C14 H16 O7 -","- C56 H64 O28 -","4","1","","Lan, Ping; Banwell, Martin G; Willis, Anthony C","Chemoenzymatic Total Syntheses of Ribisins A, B, and D, Polyoxygenated Benzofuran Derivatives Displaying NGF-Potentiating Properties.","The Journal of organic chemistry","2014","79","7","2829","2842","10.1021/jo500210k","","","0.71073","MoKα","","0.1224","0.0714","","0.1255","0.1098","0.1255","","","","","","1.0061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029254","9.34","0.003","11.0137","0.001","25.4582","0.0011","90","","90","","90","","2618.8","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C120 H140 N4 O8 -","4","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","0.0576","0.0464","","","0.1239","0.1328","","","","","","1.077","","","","has coordinates,has disorder","178471","2020-10-21","18:00:00",""
"4029256","9.3007","0.00017","10.82862","0.00017","24.9809","0.0007","90","","90","","90","","2515.92","0.09","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C120 H140 N4 O8 -","4","1","","Koshima, Hideko; Fukano, Michitaro; Ojima, Naoko; Johmoto, Kohei; Uekusa, Hidehiro; Shiro, Motoo","Absolute asymmetric photocyclization of triisopropylbenzophenone derivatives in crystals and their morphological changes.","The Journal of organic chemistry","2014","79","7","3088","3093","10.1021/jo5000913","","","1.54187","CuKα","","","0.0397","","","","0.0971","","","","","","1.195","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4029264","5.9961","0.0001","9.1613","0.0002","25.6885","0.0007","90","","90","","90","","1411.12","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O2 S2 -","- C13 H19 N O2 S2 -","- C52 H76 N4 O8 S8 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0474","0.0398","","","0.0912","0.0963","","","","","","1.036","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029265","8.9323","0.0002","10.4477","0.0002","16.1303","0.0003","90","","90","","90","","1505.31","0.05","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O4 S -","- C14 H23 N O4 S -","- C56 H92 N4 O16 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0398","0.0354","","","0.0944","0.0981","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029266","5.8566","0.0001","12.8241","0.0003","20.0677","0.0005","90","","90","","90","","1507.2","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O2 S -","- C15 H23 N O2 S -","- C60 H92 N4 O8 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.0526","0.0424","","","0.1002","0.1063","","","","","","1.046","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029268","6.1309","0.0001","9.3097","0.0001","25.4281","0.0005","90","","90","","90","","1451.36","0.04","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C60 H84 N4 O8 S4 -","4","1","","Priede, Martins; Kazak, Mihail; Kalnins, Toms; Shubin, Kirill; Suna, Edgars","Diastereoselective Hydroxymethylation of Cyclic N-tert-Butanesulfinylketimines Using Methoxymethanol as Formaldehyde Source.","The Journal of organic chemistry","2014","79","8","3715","3724","10.1021/jo500506u","","","0.71073","MoKα","","0.039","0.0345","","","0.088","0.0909","","","","","","1.008","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029273","6.8561","0.0002","12.1178","0.0005","18.7361","0.0008","90","","90","","90","","1556.61","0.1","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","","Vu, Van Ha; Louafi, Fadila; Girard, Nicolas; Marion, Ronan; Roisnel, Thierry; Dorcet, Vincent; Hurvois, Jean-Pierre","Electrochemical Access to 8-(1-Phenyl-ethyl)-1,4-dioxa-8-aza-spiro[4.5]decane-7-carbonitrile. Application to the Asymmetric Syntheses of (+)-Myrtine and Alkaloid (+)-241D.","The Journal of organic chemistry","2014","79","8","3358","3373","10.1021/jo500104c","","x-ray","0.71073","MoKα","","0.0423","0.0367","","","0.0851","0.0879","","","","","","1.112","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029275","6.2585","0.0003","15.968","0.0007","17.0842","0.0008","90","","90","","90","","1707.32","0.14","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Weise, Christian F; Lauridsen, Vibeke H; Rambo, Raoní S; Iversen, Eva H; Olsen, Marie-Luise; Jørgensen, Karl Anker","Organocatalytic Access to Enantioenriched Dihydropyran Phosphonates via an Inverse-Electron-Demand Hetero-Diels-Alder Reaction.","The Journal of organic chemistry","2014","79","8","3537","3546","10.1021/jo500347a","","","0.56086","AgKα","","0.0442","0.038","","","0.0886","0.0924","","","","","","1.075","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029279","9.44","0.009","9.863","0.01","11.214","0.011","90","","90","","90","","1044.1","1.8","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Taber, Douglass F; Paquette, Craig M","Synthesis of the pentacylic core of (+)-salvileucalin B.","The Journal of organic chemistry","2014","79","8","3410","3413","10.1021/jo500164x","","","0.71073","MoKα","","0.1668","0.1657","","","0.3563","0.3581","","","","","","3.162","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029298","8.7212","0.0014","9.3821","0.0013","11.148","0.002","90","","90","","90","","912.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","","Thalluri, Kishore; Manne, Srinivasa Rao; Dev, Dharm; Mandal, Bhubaneswar","Ethyl 2-Cyano-2-(4-nitrophenylsulfonyloxyimino)acetate-Mediated Lossen Rearrangement: Single-Pot Racemization-Free Synthesis of Hydroxamic Acids and Ureas from Carboxylic Acids.","The Journal of organic chemistry","2014","79","9","3765","3775","10.1021/jo4026429","","","0.71073","MoKα","","0.1259","0.0836","","","0.2139","0.249","","","","","","0.979","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029303","6.761","0.005","12.748","0.008","18.642","0.012","90","","90","","90","","1606.7","1.9","125","","125","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H9 F5 N2 O2 S Se -","- C15 H9 F5 N2 O2 S Se -","- C60 H36 F20 N8 O8 S4 Se4 -","4","1","","Hua, Guoxiong; Du, Junyi; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,4-Diaryl-1,3-Chalcogen Azoles Bearing Pentafluorosulfanyl SF5 Groups: A Synthetic and Structural Study.","The Journal of organic chemistry","2014","79","9","3876","3886","10.1021/jo500316v","","","0.71075","MoKα","","","0.0544","","","","0.1681","","","","","","0.95","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029309","9.0021","0.001","14.9816","0.0018","16.5464","0.0019","90","","90","","90","","2231.5","0.4","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O3 S -","- C21 H32 N2 O3 S -","- C84 H128 N8 O12 S4 -","4","1","","Bosque, Irene; Gonzalez-Gomez, Jose C; Loza, María Isabel; Brea, José","Natural Tetraponerines: A General Synthesis and Antiproliferative Activity.","The Journal of organic chemistry","2014","79","9","3982","3991","10.1021/jo500446f","","","0.71073","MoKα","","0.0488","0.0367","","","0.0898","0.0977","","","","","","1.021","","","","has coordinates,has disorder","178472","2020-10-21","18:00:00",""
"4029317","8.329","0.006","9.292","0.007","23.43","0.016","90","","90","","90","","1813","2","100","2","100","2","","","","","","","Clement Fontenelle","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 F2 N O5 S -","- C14 H25 F2 N O5 S -","- C56 H100 F8 N4 O20 S4 -","4","1","","Fontenelle, Clément Q; Conroy, Matthew; Light, Mark; Poisson, Thomas; Pannecoucke, Xavier; Linclau, Bruno","Stereoselectivity of the Honda-Reformatsky Reaction in Reactions with Ethyl Bromodifluoroacetate with α-Oxygenated Sulfinylimines.","The Journal of organic chemistry","2014","79","9","4186","4195","10.1021/jo500396p","","","0.71073","MoKα","","0.0632","0.0555","","","0.123","0.1299","","","","","","1.096","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029322","8.3186","0.0007","12.4731","0.001","19.1532","0.0016","90","","90","","90","","1987.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C84 H120 N8 O16 -","4","1","","Rallapalli, Sundari K.; Namjoshi, Ojas A.; Tiruveedhula, V. V. N. Phani Babu; Deschamps, Jeffrey R.; Cook, James M.","Stereospecific Total Synthesis of the Indole Alkaloid Ervincidine. Establishment of the C-6 Hydroxyl Stereochemistry.","The Journal of organic chemistry","2014","79","9","3776","3780","10.1021/jo402692u","","","0.71073","MoKα","","0.0367","0.0356","","","0.1041","0.1055","","","","","","1.103","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029323","9.6247","0.0004","11.6485","0.0005","13.7072","0.0005","90","","90","","90","","1536.76","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Rallapalli, Sundari K.; Namjoshi, Ojas A.; Tiruveedhula, V. V. N. Phani Babu; Deschamps, Jeffrey R.; Cook, James M.","Stereospecific Total Synthesis of the Indole Alkaloid Ervincidine. Establishment of the C-6 Hydroxyl Stereochemistry.","The Journal of organic chemistry","2014","79","9","3776","3780","10.1021/jo402692u","","","0.71073","MoKα","","0.056","0.0441","","","0.112","0.1197","","","","","","1.051","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029340","8.6359","0.0003","12.0457","0.0005","19.5543","0.0008","90","","90","","90","","2034.15","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O4 -","- C26 H21 N O4 -","- C104 H84 N4 O16 -","4","1","","Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M","Photoactivatable Anthracenes.","The Journal of organic chemistry","2014","79","9","3973","3981","10.1021/jo5004482","","","0.71073","MoKα","","0.0427","0.0381","","","0.0992","0.1034","","","","","","1.036","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029350","5.7422","0.0007","10.5827","0.0011","28.156","0.003","90","","90","","90","","1711","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C72 H76 N4 O16 S4 -","4","1","","Arakawa, Yukihiro; Fritz, Sven P.; Wennemers, Helma","Organocatalytic Stereoselective Synthesis of Acyclic γ-Nitrothioesters with All-Carbon Quaternary Stereogenic Centers.","The Journal of organic chemistry","2014","79","9","3937","3945","10.1021/jo500403q","","","0.71073","MoKα","","0.1205","0.1046","","","0.2495","0.2534","","","","","","2.045","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029352","7.7315","0.0006","14.3537","0.0011","26.576","0.002","90","","90","","90","","2949.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Br N2 O3 -","- C15 H17 Br N2 O3 -","- C120 H136 Br8 N16 O24 -","8","2","","Boucherif, Amina; Yang, Qing-Qing; Wang, Qiang; Chen, Jia-Rong; Lu, Liang-Qiu; Xiao, Wen-Jing","Enantio- and Diastereoselective Synthesis of Spiro-epoxyoxindoles.","The Journal of organic chemistry","2014","79","9","3924","3929","10.1021/jo5003856","","","0.71073","MoKα","","0.0387","0.031","","","0.0642","0.0764","","","","","","0.991","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029360","7.8508","0.0002","15.8682","0.0004","18.2984","0.0004","90","","90","","90","","2279.58","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 Cl N2 O Ru -","- C26 H25 Cl N2 O Ru -","- C104 H100 Cl4 N8 O4 Ru4 -","4","1","","Allu, Srinivasarao; Swamy, K. C. Kumara","Ruthenium-Catalyzed Synthesis of Isoquinolones with 8-Aminoquinoline as a Bidentate Directing Group in C-H Functionalization.","The Journal of organic chemistry","2014","79","9","3963","3972","10.1021/jo500424p","","","1.54184","CuKα","","0.0351","0.034","","","0.0905","0.0915","","","","","","1.039","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029367","8.939","0.0002","15.0463","0.0003","64.8154","0.0011","90","","90","","90","","8717.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H62 N8 O11 -","- C36 H60 N8 O11 -","- C288 H480 N64 O88 -","8","2","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","1.54178","CuKα","","0.0608","0.0566","","","0.146","0.149","","","","","","1.02","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029369","8.186","0.003","18.89","0.006","22.446","0.007","90","","90","","90","","3471","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 N6 O7 -","- C32 H50 N6 O7 -","- C128 H200 N24 O28 -","4","1","","De Poli, Matteo; Byrne, Liam; Brown, Robert A.; Solà, Jordi; Castellanos, Alejandro; Boddaert, Thomas; Wechsel, Romina; Beadle, Jonathan D.; Clayden, Jonathan","Engineering the Structure of an N-Terminal β-Turn To Maximize Screw-Sense Preference in Achiral Helical Peptide Chains.","The Journal of organic chemistry","2014","79","10","4659","4675","10.1021/jo500714b","","","0.71073","MoKα","","0.0983","0.0889","","","0.1939","0.1986","","","","","","1.198","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029375","7.1652","0.0003","12.6049","0.0005","16.4098","0.0008","90","","90","","90","","1482.08","0.11","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O3 -","- C17 H14 Cl N O3 -","- C68 H56 Cl4 N4 O12 -","4","1","","Wu, Xiang; Li, Ming-Li; Chen, Dian-Feng; Chen, Shu-Sen","Enantioselective construction of [6,5,6]-carbocyclic systems by organo/metal-catalyzed sequential reactions.","The Journal of organic chemistry","2014","79","10","4743","4750","10.1021/jo5006729","","","0.71073","MoKα","","0.0372","0.0336","","","0.0795","0.0821","","","","","","1.05","","","","has coordinates","178472","2020-10-21","18:00:00",""
"4029432","6.4802","0.0003","13.1979","0.0005","25.4488","0.0009","90","","90","","90","","2176.51","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C100 H116 N4 O24 -","4","1","","Selfridge, Brandon R.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of Enantiopure 10-Nornaltrexones in the Search for Toll-like Receptor 4 Antagonists and Opioid Ligands.","The Journal of organic chemistry","2014","79","11","5007","5018","10.1021/jo500568s","","","0.71073","MoKα","","0.0355","0.0332","","","0.0877","0.0891","","","","","","1.024","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029433","5.8822","0.0003","15.7145","0.0008","16.2267","0.0007","90","","90","","90","","1499.93","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Selfridge, Brandon R.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of Enantiopure 10-Nornaltrexones in the Search for Toll-like Receptor 4 Antagonists and Opioid Ligands.","The Journal of organic chemistry","2014","79","11","5007","5018","10.1021/jo500568s","","","0.71073","MoKα","","0.0388","0.0377","","","0.107","0.1082","","","","","","1.041","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029445","6.993","0.003","8.884","0.004","26.801","0.007","90","","90","","90","","1665","1.1","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Mori, Hiroki; Chen, Xi-Chao; Chang, Ning-Hui; Hamao, Shino; Kubozono, Yoshihiro; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of methoxy-substituted picenes: substitution position effect on their electronic and single-crystal structures.","The Journal of organic chemistry","2014","79","11","4973","4983","10.1021/jo500543h","","","0.71075","MoKα","","0.0435","0.0338","","","0.0849","0.0897","","","","","","1.059","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029446","6.2114","0.0015","7.8271","0.0019","34.589","0.009","90","","90","","90","","1681.6","0.7","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Mori, Hiroki; Chen, Xi-Chao; Chang, Ning-Hui; Hamao, Shino; Kubozono, Yoshihiro; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of methoxy-substituted picenes: substitution position effect on their electronic and single-crystal structures.","The Journal of organic chemistry","2014","79","11","4973","4983","10.1021/jo500543h","","","0.71075","MoKα","","0.0548","0.0396","","","0.1019","0.1078","","","","","","1.03","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029449","10.1714","0.001","10.7715","0.0011","16.287","0.0016","90","","90","","90","","1784.4","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","","Curto, John M.; Kozlowski, Marisa C.","α-Allyl-α-aryl α-Amino Esters in the Asymmetric Synthesis of Acyclic and Cyclic Amino Acid Derivatives by Alkene Metathesis.","The Journal of organic chemistry","2014","79","11","5359","5364","10.1021/jo500707t","","","1.54178","CuKα","","0.0237","0.0235","","","0.0589","0.0591","","","","","","1.11","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029450","8.9709","0.0008","14.6155","0.0013","18.1662","0.0017","90","","90","","90","","2381.8","0.4","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 F3 N O7 -","- C23 H28 F3 N O7 -","- C92 H112 F12 N4 O28 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0369","0.0304","","","0.0677","0.0705","","","","","","1.057","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029454","9.909","0.004","12.774","0.005","19.563","0.008","90","","90","","90","","2476.2","1.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O7 S -","- C25 H34 N2 O7 S -","- C100 H136 N8 O28 S4 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0298","0.0263","","","0.062","0.0637","","","","","","1.048","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029455","10.0129","0.0019","17.402","0.003","20.03","0.004","90","","90","","90","","3490.1","1.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 Br N3 O10 -","- C34 H48 Br N3 O10 -","- C136 H192 Br4 N12 O40 -","4","1","","Wang, Siyuan; Otani, Yuko; Liu, Xin; Kawahata, Masatoshi; Yamaguchi, Kentaro; Ohwada, Tomohiko","Robust trans-Amide Helical Structure of Oligomers of Bicyclic Mimics of β-Proline: Impact of Positional Switching of Bridgehead Substituent on Amide cis-trans Equilibrium.","The Journal of organic chemistry","2014","79","11","5287","5300","10.1021/jo500916j","","","0.71073","MoKα","","0.0226","0.0205","","","0.054","0.0546","","","","","","1.081","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029459","4.878","0.002","16.418","0.007","19.847","0.009","90","","90","","90","","1589.5","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl O3 -","- C18 H17 Cl O3 -","- C72 H68 Cl4 O12 -","4","1","","Zeng, Zhongyi; Yang, Dingqiao; Long, Yuhua; Pan, Xuejing; Huang, Guobao; Zuo, Xiongjun; Zhou, Wen","Nickel-catalyzed asymmetric ring opening of oxabenzonorbornadienes with arylboronic acids.","The Journal of organic chemistry","2014","79","11","5249","5257","10.1021/jo500821m","","","0.71073","MoKα","","0.1562","0.0657","","","0.1505","0.1847","","","","","","1.116","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029465","6.1282","0.0012","8.0712","0.0016","36.366","0.007","90","","90","","90","","1798.7","0.6","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O5 S -","- C17 H20 N2 O5 S -","- C68 H80 N8 O20 S4 -","4","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0385","0.0381","","","0.0857","0.0859","","","","","","1.233","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029468","12.5959","0.0011","12.7985","0.0011","18.2292","0.0016","90","","90","","90","","2938.7","0.4","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Co2 N O9 S Si -","- C22 H31 Co2 N O9 S Si -","- C88 H124 Co8 N4 O36 S4 Si4 -","4","1","","Kelley, Brandon T.; Carroll, Patrick; Joullié, Madeleine M","Possible Reason for the Unusual Regioselectivity in Nucleophilic Ring Opening of Trisubstituted Aziridines under Mildly Basic Conditions.","The Journal of organic chemistry","2014","79","11","5121","5133","10.1021/jo5006685","","","0.71073","MoKα","","0.0403","0.0372","","","0.0857","0.087","","","","","","1.24","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029482","10.4871","0.0005","11.1272","0.0005","19.6809","0.0009","90","","90","","90","","2296.6","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H37 B2 N3 O5 -","- C20 H37 B2 N3 O5 -","- C80 H148 B8 N12 O20 -","4","1","","Müller, Matthias; Maichle-Mössmer, Cäcilia; Bettinger, Holger F.","Boryl azides in 1,3-dipolar cycloadditions.","The Journal of organic chemistry","2014","79","12","5478","5483","10.1021/jo500549m","","","1.54178","CuKα","","0.0306","0.0277","","","0.0641","0.0656","","","","","","1.003","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029503","11.5472","0.0014","11.8178","0.0015","23.6812","0.003","90","","90","","90","","3231.6","0.7","110","2","110","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H39 N3 O5 -","- C39 H39 N3 O5 -","- C156 H156 N12 O20 -","4","1","","Marcaccini, Stefano; Neo, Ana G.; Marcos, Carlos F.","Sequential five-component synthesis of spiropyrrolidinochromanones.","The Journal of organic chemistry","2009","74","17","6888","6890","10.1021/jo900992w","","x-ray","0.71073","MoKα","","0.0869","0.0436","","","0.0853","0.1079","","","","","","1.14","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029513","13.9132","0.0008","17.1884","0.001","38.339","0.003","90","","90","","90","","9168.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C96 H140 N6 O10 -","- C96 H140 N6 O10 -","- C384 H560 N24 O40 -","4","1","","Galán, Albano; Escudero-Adán, Eduardo C; Frontera, Antonio; Ballester, Pablo","Synthesis, Structure, and Binding Properties of Lipophilic Cavitands Based on a Calix[4]pyrrole-Resorcinarene Hybrid Scaffold.","The Journal of organic chemistry","2014","79","12","5545","5557","10.1021/jo5007224","","","1.54178","CuKα","","0.122","0.102","","","0.2803","0.2975","","","","","","1.103","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029521","7.84822","0.00016","8.2682","0.0002","26.3414","0.0005","90","","90","","90","","1709.31","0.06","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0323","","","","0.0915","","","","","","1.112","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029523","6.53799","0.00012","13.6252","0.0003","18.5986","0.0004","90","","90","","90","","1656.79","0.06","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O3 S -","- C18 H20 N2 O3 S -","- C72 H80 N8 O12 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0331","","","","0.0942","","","","","","1.118","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029524","6.55092","0.00012","8.59104","0.00016","23.0273","0.0005","90","","90","","90","","1295.96","0.04","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C48 H64 N8 O12 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.033","","","","0.0881","","","","","","1.05","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029525","7.8482","0.0003","8.2717","0.0003","26.3382","0.0007","90","","90","","90","","1709.82","0.1","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 S -","- C18 H22 N2 O2 S -","- C72 H88 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0433","","","","0.1246","","","","","","1.265","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029526","9.19794","0.00017","10.68037","0.00019","12.7106","0.0003","90","","90","","90","","1248.66","0.04","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0434","","","","0.08","","","","","","1.837","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029528","9.1971","0.0003","10.6801","0.0003","12.7121","0.0003","90","","90","","90","","1248.66","0.06","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O2 S -","- C12 H18 N2 O2 S -","- C48 H72 N8 O8 S4 -","4","1","","Yoneda, Tetsuya; Tabata, Hidetsugu; Nakagomi, Jun; Tasaka, Tomohiko; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","N-Benzoyl- and N-Sulfonyl-1,5-benzodiazepines: Comparison of Their Atropisomeric and Conformational Properties.","The Journal of organic chemistry","2014","79","12","5717","5727","10.1021/jo5008509","","","1.54187","CuKα","","","0.0339","","","","0.0926","","","","","","1.105","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029533","8.351","0.009","11.258","0.011","18.802","0.019","90","","90","","90","","1768","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Cai, Hua; Nie, Jing; Zheng, Yan; Ma, Jun-An","Lithium binaphtholate-catalyzed enantioselective enyne addition to ketones: access to enynylated tertiary alcohols.","The Journal of organic chemistry","2014","79","12","5484","5493","10.1021/jo5005839","","","0.71073","MoKα","","0.2546","0.0532","","","0.0908","0.1592","","","","","","0.878","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029537","8.69","0.001","15.1044","0.0017","17.1893","0.0019","90","","90","","90","","2256.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 B N2 O6 -","- C19 H33 B N2 O6 -","- C76 H132 B4 N8 O24 -","4","1","","Yu, Shaofang; Lindeman, Sergey; Tran, Chieu D.","Chiral ionic liquids: synthesis, properties, and enantiomeric recognition.","The Journal of organic chemistry","2008","73","7","2576","2591","10.1021/jo702368t","","","0.71073","MoKα","","0.0559","0.0438","","","0.1071","0.1138","","","","","","1.027","","","","has coordinates,has disorder","178474","2020-10-21","18:00:00",""
"4029558","13.3204","0.0016","13.5084","0.0016","27.105","0.003","90","","90","","90","","4877.2","1","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H72 O8 -","- C52 H72 O8 -","- C208 H288 O32 -","4","1","","Columbus, Ishay; Biali, Silvio E.","Calix[4]arene derivatives monosubstituted at all four methylene bridges.","The Journal of organic chemistry","2008","73","7","2598","2606","10.1021/jo702474n","","","0.71073","MoKα","","0.0993","0.097","","","0.2381","0.24","","","","","","1.208","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029566","7.421","0.0009","10.8708","0.0013","11.1847","0.0013","90","","90","","90","","902.29","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N3 O3 -","- C8 H8 N3 O3 -","- C32 H32 N12 O12 -","4","1","","García-Egido, Eduardo; Fernandez-Suarez, Miryam; Muñoz, Luis","Synthesis of carbamoyl azides from primary amines and carbon dioxide under mild conditions.","The Journal of organic chemistry","2008","73","7","2909","2911","10.1021/jo702506v","","","0.71073","MoKα","","0.071","0.0583","","","0.1486","0.1561","","","","","","1.038","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029595","5.9579","0.0004","8.2268","0.0007","29.991","0.002","90","","90","","90","","1469.99","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","1","","Dev, Dharm; Palakurthy, Nani Babu; Thalluri, Kishore; Chandra, Jyoti; Mandal, Bhubaneswar","Ethyl 2-Cyano-2-(2-nitrobenzenesulfonyloxyimino)acetate (o-NosylOXY): A Recyclable Coupling Reagent for Racemization-Free Synthesis of Peptide, Amide, Hydroxamate, and Ester.","The Journal of organic chemistry","2014","79","12","5420","5431","10.1021/jo500292m","","","0.71073","MoKα","","0.0994","0.0612","","","0.1567","0.1986","","","","","","0.917","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029596","11.7538","0.0017","11.8065","0.0017","22.371","0.003","90","","90","","90","","3104.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","RO_3-061","","","- C31 H47 N O4 Si -","- C31 H47 N O4 Si -","- C124 H188 N4 O16 Si4 -","4","1","","Ries, Oliver; Büschleb, Martin; Granitzka, Markus; Stalke, Dietmar; Ducho, Christian","Amino acid motifs in natural products: synthesis of O-acylated derivatives of (2S,3S)-3-hydroxyleucine.","Beilstein journal of organic chemistry","2014","10","","1135","1142","10.3762/bjoc.10.113","","","0.71073","MoKα","","0.0292","0.0271","","","0.0641","0.0655","","","","","","1.061","","","","has coordinates","178474","2020-10-21","18:00:00",""
"4029612","9.5063","0.0008","15.9513","0.0014","26.92","0.002","90","","90","","90","","4082.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5,5-dimethyl-10,15,20-tris(pentafluorophenyl)phlorin","","- C40 H17 F15 N4 -","- C40 H17 F15 N4 -","- C160 H68 F60 N16 -","4","1","","Bruce, Alexandra M.; Weyburne, Emily S.; Engle, James T.; Ziegler, Christopher J.; Geier, 3rd, G Richard","Phlorins Bearing Different Substituents at the sp(3)-Hybridized Meso-Position.","The Journal of organic chemistry","2014","79","12","5664","5672","10.1021/jo5008256","","","0.71073","MoKα","","0.1103","0.067","","","0.0688","0.0733","","","","","","1.451","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029624","8.6543","0.0006","12.7816","0.0009","29.198","0.002","90","","90","","90","","3229.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 N2 O8 -","- C34 H40 N2 O8 -","- C136 H160 N8 O32 -","4","1","","Alcaide, Benito; Almendros, Pedro; Quirós, M Teresa; Lázaro, Carlos; Torres, M. Rosario","Three-Step Metal-Promoted Allene-Based Preparation of Bis(heterocyclic) Cyclophanes from Carbonyl Compounds.","The Journal of organic chemistry","2014","79","13","6244","6255","10.1021/jo500993x","","","0.71073","MoKα","","0.1333","0.0421","","","0.058","0.0685","","","","","","0.998","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029627","6.3618","0.0004","14.8963","0.0013","26.543","0.002","90","","90","","90","","2515.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N5 O7 -","- C23 H29 N5 O7 -","- C92 H116 N20 O28 -","4","1","","Milli, Lorenzo; Larocca, Michele; Tedesco, Mattia; Castellucci, Nicola; Ghibaudi, Elena; Cornia, Andrea; Calvaresi, Matteo; Zerbetto, Francesco; Tomasini, Claudia","α,ε-Hybrid Foldamers with 1,2,3-Triazole Rings: Order versus Disorder.","The Journal of organic chemistry","2014","79","13","5958","5969","10.1021/jo500963n","","","0.71073","MoKα","","0.0972","0.0466","","","0.0759","0.0873","","","","","","0.959","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029660","12.362","0.003","14.611","0.003","19.273","0.004","90","","90","","90","","3481.1","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","imine","","","- C41 H31 Cl3 N2 O3 -","- C41 H31 Cl3 N2 O3 -","- C164 H124 Cl12 N8 O12 -","4","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0545","0.0401","","","0.084","0.089","","","","","","1.049","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029661","9.3196","0.0008","14.6659","0.0012","15.9831","0.0013","90","","90","","90","","2184.6","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","[anthracene]","","","- C32 H22 O2 -","- C32 H22 O2 -","- C128 H88 O8 -","4","1","","Bentley, Keith W.; Wolf, Christian","Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response.","The Journal of organic chemistry","2014","79","14","6517","6531","10.1021/jo500959y","","","0.71073","MoKα","","0.0399","0.0343","","","0.0849","0.0872","","","","","","1.011","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029675","6.226","0.0003","8.3026","0.0003","28.059","0.0012","90","","90","","90","","1450.43","0.11","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Lan, Ping; Jackson, Colin J.; Banwell, Martin G.; Willis, Anthony C.","Synthesis of a D-Ring Isomer of Galanthamine via a Radical-Based Smiles Rearrangement Reaction.","The Journal of organic chemistry","2014","79","14","6759","6764","10.1021/jo501255c","","","0.71073","MoKα","","0.0596","0.0373","","0.0816","0.0738","0.0816","","","","","","0.9506","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029680","6.7432","0.0005","7.9837","0.0005","30.723","0.002","90","","90","","90","","1653.99","0.19","294.26","0.1","294.26","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Zhou, Ping-Xin; Ye, Yu-Ying; Ma, Jun-Wei; Zheng, Lan; Tang, Qian; Qiu, Yi-Feng; Song, Bo; Qiu, Zi-Hang; Xu, Peng-Fei; Liang, Yong-Min","Palladium-Catalyzed/Norbornene-Mediated ortho-Amination/N-Tosylhydrazone Insertion Reaction: An Approach to the Synthesis of ortho-Aminated Vinylarenes.","The Journal of organic chemistry","2014","79","14","6627","6633","10.1021/jo501125b","","","0.71073","MoKα","","0.1084","0.0631","","","0.131","0.1613","","","","","","1.051","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029681","6.211","0.002","9.483","0.002","17.825","0.003","90","","90","","90","","1049.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2S,3S)-1-Phenyl-2-methyl-1,3-butanediol-(1R,2S,3S)-syn,anti-5","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Abate, Agnese; Brenna, Elisabetta; Fuganti, Claudio; Gatti, Francesco G.; Giovenzana, Tommaso; Malpezzi, Luciana; Serra, Stefano","Chirality and fragrance chemistry: stereoisomers of the commercial chiral odorants Muguesia and Pamplefleur.","The Journal of organic chemistry","2005","70","4","1281","1290","10.1021/jo048445j","","","1.54179","CuKα","","0.0964","0.0623","","","0.1527","0.1769","","","","","","1.04","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029689","9.0411","0.0007","13.4833","0.001","21.9878","0.0016","90","","90","","90","","2680.4","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 Au Cl O P -","- C32 H23 Au Cl O P -","- C128 H92 Au4 Cl4 O4 P4 -","4","1","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.0468","0.0378","","","0.068","0.0707","","","","","","0.982","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029690","7.6103","0.0005","12.6408","0.0008","34.029","0.002","90","","90","","90","","3273.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H22 Au F6 I N2 -","- C36 H22 Au F6 I N2 -","- C144 H88 Au4 F24 I4 N8 -","4","1","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.0604","0.0482","","","0.1072","0.1131","","","","","","1.041","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029691","9.6909","0.0005","18.5814","0.0009","36.0427","0.0018","90","","90","","90","","6490.2","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H22 Au F6 I N2 -","- C36 H22 Au F6 I N2 -","- C288 H176 Au8 F48 I8 N16 -","8","2","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.0684","0.0421","","","0.0793","0.0881","","","","","","0.947","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029709","6.471","0.005","12.191","0.008","43.2","0.03","90","","90","","90","","3408","4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 N O4 S Si3 -","- C30 H45 N O4 S Si3 -","- C120 H180 N4 O16 S4 Si12 -","4","1","","Miyazaki, Koichiro; Yamane, Yu; Yo, Ryuichiro; Uno, Hidemitsu; Kamimura, Akio","Preparation of optically active bicyclodihydrosiloles by a radical cascade reaction.","Beilstein journal of organic chemistry","2013","9","","1326","1332","10.3762/bjoc.9.149","","","0.71075","MoKα","","0.0805","0.0678","","","0.131","0.1399","","","","","","1.087","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029718","9.7263","0.0006","12.2692","0.0007","17.1677","0.0012","90","","90","","90","","2048.7","0.2","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl Fe N2 O2 -","- C23 H23 Cl Fe N2 O2 -","- C92 H92 Cl4 Fe4 N8 O8 -","4","1","","Takebayashi, Satoshi; Shizuno, Tsubasa; Otani, Takashi; Shibata, Takanori","Rh(III)-catalyzed directed C-H bond amidation of ferrocenes with isocyanates.","Beilstein journal of organic chemistry","2012","8","","1844","1848","10.3762/bjoc.8.212","","","0.71075","MoKα","","","0.0304","","","","0.0753","","","","","","1.027","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029719","9.528","0.0006","9.6271","0.0006","16.3779","0.001","90","","90","","90","","1502.3","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br N O3 -","- C16 H14 Br N O3 -","- C64 H56 Br4 N4 O12 -","4","1","","Deng, Hong-Ping; Wang, De; Wei, Yin; Shi, Min","Chiral multifunctional thiourea-phosphine catalyzed asymmetric [3 + 2] annulation of Morita-Baylis-Hillman carbonates with maleimides.","Beilstein journal of organic chemistry","2012","8","","1098","1104","10.3762/bjoc.8.121","","","0.71073","MoKα","","0.0577","0.0384","","","0.09","0.0995","","","","","","1.024","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029732","6.8215","0.0001","13.434","0.0003","17.9267","0.0004","90","","90","","90","","1642.8","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 Si -","- C18 H22 O2 Si -","- C72 H88 O8 Si4 -","4","1","","Cho, Inhee; Meimetis, Labros; Belding, Lee; Katz, Michael J.; Dudding, Travis; Britton, Robert","Directed ortho,ortho'-dimetalation of hydrobenzoin: Rapid access to hydrobenzoin derivatives useful for asymmetric synthesis.","Beilstein journal of organic chemistry","2011","7","","1315","1322","10.3762/bjoc.7.154","","","0.71073","MoKα","","0.0427","0.0291","","0.0573","0.0342","0.0342","","","","","","0.7515","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029737","5.3485","0.0005","7.4424","0.0007","33.559","0.003","90","","90","","90","","1335.8","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N O2 S -","- C16 H11 N O2 S -","- C64 H44 N4 O8 S4 -","4","1","","Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B.","Variations in product in reactions of naphthoquinone with primary amines.","Beilstein journal of organic chemistry","2007","3","1","10","","10.1186/1860-5397-3-10","","","0.71073","MoKα","","0.0961","0.0461","","","0.1007","0.1352","","","","","","1.038","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029744","4.3029","0.0008","12.249","0.002","23.927","0.006","90","","90","","90","","1261.1","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B.","Variations in product in reactions of naphthoquinone with primary amines.","Beilstein journal of organic chemistry","2007","3","1","10","","10.1186/1860-5397-3-10","","","0.71073","MoKα","","0.1538","0.0681","","","0.1446","0.1795","","","","","","0.885","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029753","3.9971","0.0016","10.334","0.004","31.473","0.013","90","","90","","90","","1300","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C72 H40 S8 -","4","1","","Wang, Zhihua; Zhu, Sheng; Shi, Jianwu; Wang, Hua","The efficient synthesis of dibenzo[d,d']benzo[1,2-b:4,3-b']dithiophene and cyclopenta[1,2-b:4,3-b']bis(benzo[d]thiophen)-6-one.","Beilstein journal of organic chemistry","2009","5","","55","","10.3762/bjoc.5.55","","","0.71073","MoKα","","0.0395","0.0335","","","0.076","0.0846","","","","","","1.042","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029778","8.6977","0.0009","12.5877","0.0013","18.8825","0.0019","90","","90","","90","","2067.3","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Adalder, Tapas Kumar; Adarsh, N. N.; Sankolli, Ravish; Dastidar, Parthasarathi","Chiral gels derived from secondary ammonium salts of (1R,3S)-(+)-camphoric acid.","Beilstein journal of organic chemistry","2010","6","","848","858","10.3762/bjoc.6.100","","","0.71073","MoKα","","0.082","0.0724","","","0.2043","0.223","","","","","","1.09","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029805","11.2325","0.0018","13.594","0.003","15.866","0.004","90","","90","","90","","2422.7","0.9","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O3 -","- C30 H29 N O3 -","- C120 H116 N4 O12 -","4","1","","Akalay, Deniz; Dürner, Gerd; Bats, Jan W.; Göbel, Michael W","C2-symmetric bisamidines: chiral Brønsted bases catalysing the Diels-Alder reaction of anthrones.","Beilstein journal of organic chemistry","2008","4","","28","","10.3762/bjoc.4.28","","","0.71073","MoKα","","0.1409","0.0542","","","0.0955","0.1177","","","","","","1.022","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029810","6.8792","0.0007","10.2161","0.0011","27.732","0.003","90","","90","","90","","1949","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br O2 -","- C24 H23 Br O2 -","- C96 H92 Br4 O8 -","4","1","","Zhang, Hao; Zhu, Le; Wang, Shaozhong; Yao, Zhu-Jun","Asymmetric Annulation of 3-Alkynylacrylaldehydes with Styrene-Type Olefins by Synergetic Relay Catalysis from AgOAc and Chiral Phosphoric Acid.","The Journal of organic chemistry","2014","79","15","7063","7074","10.1021/jo501196n","","","0.71073","MoKα","","0.0728","0.0557","","","0.1628","0.181","","","","","","1.19","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029811","10.7032","0.0012","14.9947","0.0017","25.551","0.003","90","","90","","90","","4100.7","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C192 H160 Br8 N8 O16 -","8","2","","Zhang, Hao; Zhu, Le; Wang, Shaozhong; Yao, Zhu-Jun","Asymmetric Annulation of 3-Alkynylacrylaldehydes with Styrene-Type Olefins by Synergetic Relay Catalysis from AgOAc and Chiral Phosphoric Acid.","The Journal of organic chemistry","2014","79","15","7063","7074","10.1021/jo501196n","","","0.71073","MoKα","","0.1277","0.0566","","","0.1075","0.1242","","","","","","1.087","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029813","6.432","","16.9723","0.0001","17.2995","0.0001","90","","90","","90","","1888.51","0.016","150","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O3 -","- C20 H26 N2 O3 -","- C80 H104 N8 O12 -","4","1","","Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten","An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.","The Journal of organic chemistry","2014","79","15","7152","7161","10.1021/jo501302f","","","1.54178","CuKα","","0.0246","0.0245","","","0.0642","0.0643","","","","","","1.059","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029814","6.419","0.0001","15.9155","0.0004","19.2921","0.0005","90","","90","","90","","1970.91","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O4 S -","- C25 H21 N O4 S -","- C100 H84 N4 O16 S4 -","4","1","","Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten","An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.","The Journal of organic chemistry","2014","79","15","7152","7161","10.1021/jo501302f","","","1.54178","CuKα","","0.0488","0.0475","","","0.1458","0.1475","","","","","","1.21","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029823","6.142","0.004","10.755","0.007","26.16","0.017","90","","90","","90","","1728.1","1.9","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 -","- C21 H23 N3 -","- C84 H92 N12 -","4","1","","Herrera, Antonio; Riaño, Alberto; Moreno, Ramón; Caso, Bárbara; Pardo, Zulay D.; Fernández, Israel; Sáez, Elena; Molero, Dolores; Sánchez-Vázquez, Angel; Martínez-Alvarez, Roberto","One-Pot Synthesis of 1,3,5-Triazine Derivatives via Controlled Cross-Cyclotrimerization of Nitriles: A Mechanism Approach.","The Journal of organic chemistry","2014","79","15","7012","7024","10.1021/jo501144v","","","0.71073","MoKα","","0.1642","0.0812","","","0.1607","0.1886","","","","","","0.91","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029824","7.6193","0.0004","10.9706","0.0007","11.8576","0.0009","90","","90","","90","","991.16","0.11","90","0.1","90","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","1","","Castillo-Contreras, Emmanuel B; Stahl, Alexander M.; Dake, Gregory R.","Annulated Isoxazoles via [3 + 2] Cycloaddition of Alkenyl Bromides and Oximoyl Chlorides and Ag(I) Promoted Elimination.","The Journal of organic chemistry","2014","79","15","7250","7255","10.1021/jo501376q","","","1.54178","CuKα","","0.0482","0.0463","","","0.1163","0.1191","","","","","","1.074","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029830","5.2508","0.0005","14.2668","0.0012","19.7267","0.0013","90","","90","","90","","1477.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl2 O3 -","- C13 H15 Cl2 O4 -","- C52 H60 Cl8 O16 -","4","1","","Ding, Haixin; Li, Wei; Ruan, Zhizhong; Yang, Ruchun; Mao, Zhijie; Xiao, Qiang; Wu, Jun","Concise total synthesis of two marine natural nucleosides: trachycladines A and B.","Beilstein journal of organic chemistry","2014","10","","1681","1685","10.3762/bjoc.10.176","","","0.71073","MoKα","","0.0756","0.0548","","","0.1668","0.1984","","","","","","0.791","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029843","8.24","0.003","9.613","0.003","22.45","0.007","90","","90","","90","","1778.3","1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C80 H76 N4 O16 S4 -","4","1","","Kamimura, Akio; Yamane, Yu; Yo, Ryuichiro; Tanaka, Toshiyuki; Uno, Hidemitsu","Gold(I)-Catalyzed Synthesis of Optically Active 1,4-Oxazepan-7-ones.","The Journal of organic chemistry","2014","79","16","7696","7702","10.1021/jo501254x","","","0.71075","MoKα","","","0.0273","","","","0.0682","","","","","","1.091","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029883","4.8383","0.0008","16.347","0.003","23.195","0.004","90","","90","","90","","1834.5","0.6","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 Br O -","- C10 H9 Br O -","- C80 H72 Br8 O8 -","8","2","","Tada, Atsuo; Tokoro, Yuichiro; Fukuzawa, Shin-Ichi","Palladium/ClickFerrophos-Catalyzed Asymmetric Domino Allylstannylation-Heck Reaction of o-Formylaryl Triflate.","The Journal of organic chemistry","2014","79","17","7905","7909","10.1021/jo5010247","","","0.71075","MoKα","","0.0803","0.0495","","","0.1059","0.1226","","","","","","0.919","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029891","9.5648","0.0019","16.747","0.003","19.911","0.004","90","","90","","90","","3189.4","1.1","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 O6 Si -","- C36 H36 O6 Si -","- C144 H144 O24 Si4 -","4","1","","Tan, Yun Xuan; Santhanakrishnan, Sridhar; Yang, Hai Yan; Chai, Christina L. L.; Tam, Eric Kwok Wai","Synthesis of Neplanocin A and Its 3'-Epimer via an Intramolecular Baylis-Hillman Reaction.","The Journal of organic chemistry","2014","79","17","8059","8066","10.1021/jo501248e","","","0.71073","MoKα","","0.1056","0.0968","","","0.2477","0.2606","","","","","","1.131","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029892","7.2551","0.0016","9.233","0.002","21.918","0.005","90","","90","","90","","1468.2","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(phenanthren-9-yl)cyclohexanone","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","","Martin, Sara E.; Streeter, Matthew D.; Jones, Laurel L.; Klepfer, Matthew S.; Atmatzidis, Kyriakos; Wille, Kristen D.; Harrison, Sean A.; Hoegg, Edward D.; Sheridan, Heather M.; Kramer, Stephanie; Parrish, Damon A.; Amick, Aaron W.","A three-step process to facilitate the annulation of polycyclic aromatic hydrocarbons.","The Journal of organic chemistry","2014","79","17","8324","8330","10.1021/jo501576e","","","0.71073","MoKα","","0.0399","0.0322","","","0.0765","0.0809","","","","","","1.057","","","","has coordinates","178477","2020-10-21","18:00:00",""
"4029904","7.8655","0.0003","17.0671","0.0004","17.918","0.0006","90","","90","","90","","2405.34","0.13","143.2","0.5","143.2","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br N2 O4 -","- C27 H23 Br N2 O4 -","- C108 H92 Br4 N8 O16 -","4","1","","Lian, Xiangjin; Guo, Songsong; Wang, Gang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of Spiro[isoxazolin-3,3'-oxindoles] via the Catalytic 1,3-Dipolar Cycloaddition Reaction of Nitrile Oxides.","The Journal of organic chemistry","2014","79","16","7703","7710","10.1021/jo5012625","","","0.7107","MoKα","","0.0544","0.0411","","","0.0735","0.0797","","","","","","0.99","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029936","12.2673","0.001","18.0264","0.0014","54.885","0.004","90","","90","","90","","12137","1.6","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Ac5N3)6-OMe","","- C42 H54 N42 O9 -","- C42 H54 N42 O9 -","- C336 H432 N336 O72 -","8","2","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.71073","MoKα","","0.0945","0.0879","","","0.2505","0.2593","","","","","","1.085","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029937","23.275","0.002","38.487","0.003","11.2451","0.001","90","","90","","90","","10073.2","1.5","240","2","240","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Leu-Leu-Ac5N3)4-OMe","","- C78 H128 N36 O15 -","- C78 H128 N36 O15 -","- C312 H512 N144 O60 -","4","1","","Oba, Makoto; Takazaki, Hiroomi; Kawabe, Naomi; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Kawakubo, Hiromu; Nagano, Masanobu; Suemune, Hiroshi; Tanaka, Masakazu","Helical Peptide-foldamers having a chiral five-membered ring amino Acid with two azido functional groups.","The Journal of organic chemistry","2014","79","19","9125","9140","10.1021/jo501493x","","","0.71073","MoKα","","0.0893","0.0765","","","0.2187","0.2343","","","","","","1.033","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4029957","6.244","0.0006","14.7133","0.0014","29.145","0.003","90","","90","","90","","2677.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl3 I O -","- C28 H26 Cl3 I O -","- C112 H104 Cl12 I4 O4 -","4","1","","Xu, Wen-Rong; Chow, Hak-Fun; Cao, Xiao-Ping; Kuck, Dietmar","Regiocontrolled synthesis and optical resolution of mono-, di-, and trisubstituted tribenzotriquinacene derivatives: key building blocks for further assembly into molecular squares and cubes.","The Journal of organic chemistry","2014","79","19","9335","9346","10.1021/jo501904y","","","0.71073","MoKα","","0.0644","0.0586","","","0.1672","0.1775","","","","","","1.06","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029958","14.7136","0.0015","6.2522","0.0006","29.166","0.003","90","","90","","90","","2683","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl3 I O -","- C28 H26 Cl3 I O -","- C112 H104 Cl12 I4 O4 -","4","1","","Xu, Wen-Rong; Chow, Hak-Fun; Cao, Xiao-Ping; Kuck, Dietmar","Regiocontrolled synthesis and optical resolution of mono-, di-, and trisubstituted tribenzotriquinacene derivatives: key building blocks for further assembly into molecular squares and cubes.","The Journal of organic chemistry","2014","79","19","9335","9346","10.1021/jo501904y","","","0.71073","MoKα","","0.0646","0.0596","","","0.1716","0.1792","","","","","","1.049","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029960","5.1338","0.0001","15.8134","0.0004","20.2951","0.0005","90","","90","","90","","1647.61","0.07","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N2 O4 S -","- C16 H22 N2 O4 S -","- C64 H88 N8 O16 S4 -","4","1","","Williams, Brett D.; Smith, 3rd, Amos B","Total Synthesis of (+)-18-epi-Latrunculol A: Development of a Synthetic Route.","The Journal of organic chemistry","2014","79","19","9284","9296","10.1021/jo501733m","","","0.71073","MoKα","","0.0348","0.0328","","","0.0917","0.0936","","","","","","1.067","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029973","7.9822","0.0002","17.328","0.0005","17.6516","0.0007","90","","90","","90","","2441.49","0.13","291","2","291.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl N O3 P Pd -","- C27 H23 Cl N O3 P Pd -","- C108 H92 Cl4 N4 O12 P4 Pd4 -","4","1","","Hao, Xin-Qi; Huang, Juan-Juan; Wang, Tao; Lv, Jing; Gong, Jun-Fang; Song, Mao-Ping","PCN Pincer Palladium(II) Complex Catalyzed Enantioselective Hydrophosphination of Enones: Synthesis of Pyridine-Functionalized Chiral Phosphine Oxides as NCsp(3)O Pincer Preligands.","The Journal of organic chemistry","2014","79","20","9512","9530","10.1021/jo5015307","","","0.71073","MoKα","","0.0392","0.0318","","","0.0597","0.063","","","","","","1.043","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029981","8.0958","0.0001","15.5197","0.0003","21.6546","0.0003","90","","90","","90","","2720.78","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O6 -","- C28 H39 N O6 -","- C112 H156 N4 O24 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","0.71073","MoKα","","0.0374","0.0324","","0.0806","0.0784","0.0806","","","","","","0.9869","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029982","6.5462","0.0002","8.6135","0.0003","15.1907","0.0005","90","","90","","90","","856.54","0.05","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C24 H56 Cl4 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Stereospecific Cyclization Strategies for α,ε-Dihydroxy-β-amino Esters: Asymmetric Syntheses of Imino and Amino Sugars.","The Journal of organic chemistry","2014","79","20","9686","9698","10.1021/jo5018298","","","0.71073","MoKα","","0.0236","0.0223","","0.0553","0.0546","0.0553","","","","","","1.0186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029997","8.1739","0.0005","11.6246","0.0007","22.2901","0.0013","90","","90","","90","","2118","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl2 N2 O2 -","- C19 H18 Cl2 N2 O2 -","- C76 H72 Cl8 N8 O8 -","4","1","","Zhu, Ren-Yi; Wang, Cong-Shuai; Zheng, Jian; Shi, Feng; Tu, Shu-Jiang","Organocatalytic asymmetric inverse-electron-demand 1,3-dipolar cycloaddition of n,n'-cyclic azomethine imines.","The Journal of organic chemistry","2014","79","19","9305","9312","10.1021/jo5018469","","","0.71073","MoKα","","0.0705","0.0543","","","0.1532","0.1622","","","","","","1.066","","","","has coordinates","178478","2020-10-21","18:00:00",""
"4029998","10.2176","0.0001","10.2887","0.0002","24.2502","0.0003","90","","90","","90","","2549.32","0.06","175","","175","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 N O5 -","- C26 H39 N O5 -","- C104 H156 N4 O20 -","4","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0381","0.0376","","","0.0945","0.0953","","","","","","1.07","","","","has coordinates,has disorder","178478","2020-10-21","18:00:00",""
"4030000","8.2272","0.0004","18.3055","0.0008","18.5334","0.0009","90","","90","","90","","2791.2","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Br N O5 S -","- C28 H38 Br N O5 S -","- C112 H152 Br4 N4 O20 S4 -","4","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0281","0.0276","","","0.0743","0.0747","","","","","","1.041","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030005","9.58","0.004","10.49","0.004","20.176","0.007","90","","90","","90","","2027.6","1.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 O S2 -","- C25 H18 O S2 -","- C100 H72 O4 S8 -","4","1","","Liu, Changhui; Gu, Yanlong","Synthesis of Densely Substituted 1,3-Butadienes through Acid-Catalyzed Alkenylations of α-Oxoketene Dithioacetals with Aldehydes.","The Journal of organic chemistry","2014","79","20","9619","9627","10.1021/jo5017234","","","0.71073","MoKα","","0.0653","0.0476","","","0.1377","0.1555","","","","","","1.004","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030006","12.0216","0.0002","18.9542","0.0003","27.6717","0.0019","90","","90","","90","","6305.3","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C78.2 H64.4 N O8.6 P -","- C73 H54 N O6 P -","- C292 H216 N4 O24 P4 -","4","1","","Isaac, Kévin; Stemper, Jérémy; Servajean, Vincent; Retailleau, Pascal; Pastor, Julien; Frison, Gilles; Kaupmees, Karl; Leito, Ivo; Betzer, Jean-François; Marinetti, Angela","Planar chiral phosphoric acids with biphenylene-tethered paracyclophane scaffolds: synthesis, characterization, and catalytic screening.","The Journal of organic chemistry","2014","79","20","9639","9646","10.1021/jo501769t","","","1.54187","CuKα","","0.1144","0.078","","","0.1923","0.2406","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030007","11.2788","0.0011","12.8154","0.0013","14.632","0.0014","90","","90","","90","","2114.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl3 N O6 P -","- C18 H23 Cl3 N O6 P -","- C72 H92 Cl12 N4 O24 P4 -","4","1","","Sartillo-Piscil, Fernando; Quintero, Leticia; Cruz-Gregorio, Silvano; Espinosa-Aguirre, Javier; Elinos-Baez, Carmen M; Höpfl, Herbert; Serrano, Abel","Further Evidence on the Favorable Role of the Anomeric Effect on the Cleavage of HepDirect and Cyclophosphamide Prodrugs.","The Journal of organic chemistry","2014","79","20","9647","9654","10.1021/jo501772g","","","0.71073","MoKα","","0.04","0.0387","","","0.0876","0.0883","","","","","","1.093","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030027","9.7466","0.0007","9.9284","0.0007","18.783","0.0013","90","","90","","90","","1817.6","0.2","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br N O4 -","- C21 H18 Br N O4 -","- C84 H72 Br4 N4 O16 -","4","1","","Kohari, Yoshihito; Okuyama, Yuko; Kwon, Eunsang; Furuyama, Taniyuki; Kobayashi, Nagao; Otuki, Teppei; Kumagai, Jun; Seki, Chigusa; Uwai, Koji; Dai, Gang; Iwasa, Tatsuo; Nakano, Hiroto","Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines with Aldehydes Using β-Amino Alcohol Organocatalyst.","The Journal of organic chemistry","2014","79","20","9500","9511","10.1021/jo501433c","","","0.71073","MoKα","","0.0348","0.0289","","","0.0586","0.0601","","","","","","0.988","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030054","7.7111","0.0016","10.5325","0.0019","19.852","0.004","90","","90","","90","","1612.3","0.5","174","2","174","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0406","0.0369","","","0.0958","0.0996","","","","","","1.044","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030055","9.1608","0.0011","11.5859","0.0014","34.32","0.004","90","","90","","90","","3642.6","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H56 N2 O Si Sn -","- C34 H54.547 N2 O Si Sn -","- C136 H218.188 N8 O4 Si4 Sn4 -","4","1","","Edwankar, Rahul V.; Edwankar, Chitra R.; Deschamps, Jeffrey R.; Cook, James M.","General Strategy for Synthesis of C-19 Methyl-Substituted Sarpagine/Macroline/Ajmaline Indole Alkaloids Including Total Synthesis of 19(S),20(R)-Dihydroperaksine, 19(S),20(R)-Dihydroperaksine-17-al, and Peraksine.","The Journal of organic chemistry","2014","79","21","10030","","10.1021/jo5016163","","","0.71073","MoKα","","0.0661","0.0565","","","0.13","0.1357","","","","","","1.09","","","","has coordinates,has disorder","178479","2020-10-21","18:00:00",""
"4030065","11.993","0.003","17.981","0.004","22.586","0.005","90","","90","","90","","4871","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21.5 F6 N3.5 P Pd -","- C23 H21.5 F6 N3.5 P Pd -","- C184 H172 F48 N28 P8 Pd8 -","8","2","","Huang, Jian-Qiang; Ding, Chang-Hua; Hou, Xue-Long","Pyridine-NHC: Effective Ligand in Pd-Catalyzed Cyclopropanation of Esters with Substituted Allyl Carbonates.","The Journal of organic chemistry","2014","79","24","12010","12017","10.1021/jo5018712","","","0.71073","MoKα","","0.0973","0.0599","","","0.1402","0.1691","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030088","9.09","0.002","10.774","0.003","21.624","0.005","90","","90","","90","","2117.8","0.9","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C92 H108 N12 O8 -","4","1","","Zaretsky, Serge; Adachi, Shinya; Rotstein, Benjamin H.; Hickey, Jennifer L.; Scully, Conor C. G.; St Denis, Jeffrey D.; Courtemanche, Rebecca; Yu, Joy C. Y.; Chung, Benjamin K. W.; Yudin, Andrei K.","Stereocontrolled Disruption of the Ugi Reaction toward the Production of Chiral Piperazinones: Substrate Scope and Process Development.","The Journal of organic chemistry","2014","79","21","9948","","10.1021/jo5018316","","","1.54178","CuKα","","0.029","0.0274","","","0.0692","0.0705","","","","","","1.073","","","","has coordinates","178479","2020-10-21","18:00:00",""
"4030111","10.4536","0.0003","11.9049","0.0003","22.4319","0.0006","90","","90","","90","","2791.63","0.13","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 Cl N2 O5 -","- C32 H23 Cl N2 O5 -","- C128 H92 Cl4 N8 O20 -","4","1","","Geng, Zhi-Cong; Zhang, Shao-Yun; Li, Nai-Kai; Li, Ning; Chen, Jian; Li, Hai-Yan; Wang, Xing-Wang","Organocatalytic diversity-oriented asymmetric synthesis of tricyclic chroman derivatives.","The Journal of organic chemistry","2014","79","22","10772","10785","10.1021/jo501560m","","","1.54184","CuKα","","0.0599","0.0476","","","0.1143","0.1233","","","","","","1.017","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030112","8.2432","0.0006","8.647","0.0006","28.4472","0.0016","90","","90","","90","","2027.7","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br Cl O5 -","- C21 H18 Br Cl O5 -","- C84 H72 Br4 Cl4 O20 -","4","1","","Geng, Zhi-Cong; Zhang, Shao-Yun; Li, Nai-Kai; Li, Ning; Chen, Jian; Li, Hai-Yan; Wang, Xing-Wang","Organocatalytic diversity-oriented asymmetric synthesis of tricyclic chroman derivatives.","The Journal of organic chemistry","2014","79","22","10772","10785","10.1021/jo501560m","","","0.71073","MoKα","","0.1117","0.0641","","","0.1455","0.163","","","","","","1.036","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030113","15.0974","0.0002","19.1605","0.0003","32.7141","0.0004","90","","90","","90","","9463.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 N O5 -","- C38 H41 N O5 -","- C456 H492 N12 O60 -","12","3","","Szcześniak, Piotr; Stecko, Sebastian; Maziarz, Elżbieta; Staszewska-Krajewska, Olga; Furman, Bartłomiej","Synthesis of Polyhydroxylated Quinolizidine and Indolizidine Scaffolds from Sugar-Derived Lactams via a One-Pot Reduction/Mannich/Michael Sequence.","The Journal of organic chemistry","2014","79","21","10487","","10.1021/jo502146z","","","1.54184","CuKα","","0.0803","0.0763","","","0.2044","0.2119","","","","","","1.035","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030118","8.9839","0.0003","9.0223","0.0005","9.7106","0.0003","90","","90","","90","","787.1","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 N2 O8 -","- C14 H26 N2 O8 -","- C28 H52 N4 O16 -","2","0.5","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Ford, J. Gair; Klauber, David J.; Roberts, Paul M.; Thomson, James E.","Asymmetric syntheses of (-)-3-epi-Fagomine, (2R,3S,4R)-dihydroxypipecolic acid, and several polyhydroxylated homopipecolic acids.","The Journal of organic chemistry","2014","79","22","10932","10944","10.1021/jo501952t","","","1.5418","CuKα","","0.0294","0.0289","","0.0774","0.0768","0.0774","","","","","","1.0192","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030123","9.0976","0.0018","9.3489","0.0019","18.199","0.004","90","","90","","90","","1547.9","0.6","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Bos, Maxence; Riguet, Emmanuel","Synthesis of chiral γ-lactones by one-pot sequential enantioselective organocatalytic michael addition of boronic acids and diastereoselective intramolecular passerini reaction.","The Journal of organic chemistry","2014","79","22","10881","10889","10.1021/jo501908z","","x-ray","0.71073","MoKα","","0.0369","0.0316","","","0.0803","0.084","","","","","","1.053","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030148","11.54","0.002","14.08","0.007","16.285","0.003","90","","90","","90","","2646","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cl2 N O2 P -","- C30 H24 Cl2 N O2 P -","- C120 H96 Cl8 N4 O8 P4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1162","0.0642","","","0.1489","0.1778","","","","","","1.016","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030149","11.5133","0.0006","14.2627","0.0016","16.305","0.003","90","","90","","90","","2677.5","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Br Cl N O2 P -","- C30 H24 Br Cl N O2 P -","- C120 H96 Br4 Cl4 N4 O8 P4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1727","0.0677","","","0.1072","0.1425","","","","","","1.01","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030150","12.5547","0.0017","9.004","0.003","22.0651","0.0014","90","","90","","90","","2494.3","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Cl N O2 P -","- C30 H25 Cl N O2 P -","- C120 H100 Cl4 N4 O8 P4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bottoni, Andrea; Calvaresi, Matteo; Cardellicchio, Cosimo","Stacked naphthyls and weak hydrogen-bond interactions govern the conformational behavior of P-resolved cyclic phosphonamides: a combined experimental and computational study.","The Journal of organic chemistry","2014","79","22","11101","11109","10.1021/jo502094g","","","0.71073","MoKα","","0.1249","0.0543","","","0.115","0.1497","","","","","","1.057","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030151","8.2377","0.0002","12.7351","0.0004","38.5075","0.001","90","","90","","90","","4039.74","0.19","200","","200","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 O6 -","- C42 H60 O6 -","- C168 H240 O24 -","4","1","","Hanessian, Stephen; Chénard, Etienne; Guesné, Sébastien; Cusson, Jean-Philippe","Conception and Evolution of Stereocontrolled Strategies toward Functionalized 8-Aryloctanoic Acids Related to the Total Synthesis of Aliskiren.","The Journal of organic chemistry","2014","79","20","9531","9545","10.1021/jo5015195","","","1.54178","CuKα","","0.0849","0.0455","","","0.113","0.1238","","","","","","0.913","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030155","5.8502","0.0007","11.47","0.0014","26.509","0.003","90","","90","","90","","1778.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br N O -","- C21 H18 Br N O -","- C84 H72 Br4 N4 O4 -","4","1","","Ren, Yuan-Yuan; Wang, You-Qing; Liu, Shuang","Asymmetric alkynylation of seven-membered cyclic imines by combining chiral phosphoric acids and Ag(I) catalysts: synthesis of 11-substituted-10,11-dihydrodibenzo[b,f][1,4]oxazepine derivatives.","The Journal of organic chemistry","2014","79","23","11759","11767","10.1021/jo5022037","","","0.71073","MoKα","","0.0639","0.0397","","","0.0828","0.0908","","","","","","0.993","","","","has coordinates,has disorder","178480","2020-10-21","18:00:00",""
"4030165","7.5487","0.0013","13.271","0.003","16.861","0.005","90","","90","","90","","1689.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C68 H84 N4 O28 -","4","1","","Helmy, Sameh; Oh, Saemi; Leibfarth, Frank A.; Hawker, Craig J.; Read de Alaniz, Javier","Design and synthesis of donor-acceptor Stenhouse adducts: a visible light photoswitch derived from furfural.","The Journal of organic chemistry","2014","79","23","11316","11329","10.1021/jo502206g","","","0.71073","MoKα","","0.0701","0.049","","","0.104","0.113","","","","","","0.998","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030201","3.8405","0.0002","16.0573","0.0009","25.5787","0.0012","90","","90","","90","","1577.39","0.14","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C68 H44 Cl4 N8 -","4","1","","Chu, Jean-Ho; Hsu, Wen-Ting; Wu, Yi-Hua; Chiang, Meng-Fan; Hsu, Nan-Hai; Huang, Hao-Ping; Wu, Ming-Jung","Substituent electronic effects govern direct intramolecular C-N cyclization of N-(Biphenyl)pyridin-2-amines induced by hypervalent iodine(III) reagents.","The Journal of organic chemistry","2014","79","23","11395","11408","10.1021/jo501822m","","","0.71073","MoKα","","0.0473","0.0407","","","0.1086","0.1118","","","","","","1.005","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030293","7.4322","0.0004","22.4492","0.0014","32.2193","0.0019","90","","90","","90","","5375.7","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H44 O5 -","- C31 H44 O5 -","- C248 H352 O40 -","8","2","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.0513","0.0403","","","0.0913","0.0965","","","","","","1.056","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030294","7.0603","0.0009","16.009","0.002","23.988","0.003","90","","90","","90","","2711.3","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 O3 -","- C32 H48 O3 -","- C128 H192 O12 -","4","1","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.1009","0.055","","","0.1077","0.1284","","","","","","1.02","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030296","7.1561","0.0004","15.9743","0.0008","22.9204","0.0011","90","","90","","90","","2620.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O3 -","- C31 H46 O3 -","- C124 H184 O12 -","4","1","","Chung, Abbie; Miner, Matthew R.; Richert, Kathleen J.; Rieder, Curtis J.; Woerpel, K. A.","Formation of an Endoperoxide upon Chromium-Catalyzed Allylic Oxidation of a Triterpene by Oxygen.","The Journal of organic chemistry","2014","80","1","266","","10.1021/jo502344x","","","0.71073","MoKα","","0.0376","0.0346","","","0.0872","0.0894","","","","","","1.053","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030311","9.1581","0.0002","12.6857","0.0003","16.703","0.0003","90","","90","","90","","1940.5","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O5 -","- C22 H19 Br N2 O5 -","- C88 H76 Br4 N8 O20 -","4","1","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.0337","0.0252","","","0.0489","0.05","","","","","","1.035","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030312","13.243","0.002","14.115","0.002","25.059","0.004","90","","90","","90","","4684.2","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N4 O5 S -","- C26 H22 N4 O5 S -","- C208 H176 N32 O40 S8 -","8","2","","Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.","Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.","The Journal of organic chemistry","2014","80","1","528","","10.1021/jo502534g","","","0.71073","MoKα","","0.2168","0.1085","","","0.1814","0.2078","","","","","","1.294","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4030317","9.4842","0.0005","13.6912","0.0007","14.0603","0.0006","90","","90","","90","","1825.73","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O4 S -","- C18 H18 N2 O4 S -","- C72 H72 N8 O16 S4 -","4","1","","Avila, Eloah P.; Justo, Rodrigo M. S.; Gonçalves, Vanessa P; Pereira, Adriane A.; Diniz, Renata; Amarante, Giovanni W.","Chiral Brønsted Acid-Catalyzed Stereoselective Mannich-Type Reaction of Azlactones with Aldimines.","The Journal of organic chemistry","2014","80","1","590","","10.1021/jo5024975","","","0.71073","MoKα","","0.0843","0.0458","","","0.0819","0.0955","","","","","","1.015","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030323","6.9301","0.0005","15.6506","0.0012","22.801","0.0018","90","","90","","90","","2473","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N3 O4 -","- C19 H25 N3 O4 -","- C76 H100 N12 O16 -","4","1","","Crouillebois, Laurence; Pantaine, Loïc; Marrot, Jérôme; Coeffard, Vincent; Moreau, Xavier; Greck, Christine","Solvent- and Catalyst-Free Synthesis of Nitrogen-Containing Bicycles through Hemiaminal Formation/Diastereoselective Hetero-Diels-Alder Reaction with Diazenes.","The Journal of organic chemistry","2014","80","1","595","","10.1021/jo502087a","","","0.71073","MoKα","","0.1195","0.0872","","","0.2445","0.2656","","","","","","1.082","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030326","8.637","0.003","10.927","0.004","26.065","0.01","90","","90","","90","","2459.9","1.6","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 N O2 P -","- C25 H42 N O2 P -","- C100 H168 N4 O8 P4 -","4","1","","Zhao, Yalei; Chen, Xiuling; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao","Catalyst-Free and Selective C-N Bond Functionalization: Stereospecific Three-Component Coupling of Amines, Dichloromethane, and >P(O)H Species Affording α-Aminophosphorus Compounds.","The Journal of organic chemistry","2014","80","1","62","","10.1021/jo501961h","","","0.71073","MoKα","","0.03","0.0285","","","0.076","0.0771","","","","","","1.035","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030365","7.4398","0.0009","16.709","0.002","18.329","0.002","90","","90","","90","","2278.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O4 -","- C25 H30 N2 O4 -","- C100 H120 N8 O16 -","4","1","","Bixa, Thobela; Hunter, Roger; Andrijevic, Ana; Petersen, Wade; Su, Hong; Dhoro, Francis","Stereoselective Formation of Quaternary Stereogenic Centers via Alkylation of α-Substituted Malonate-Imidazolidinones.","The Journal of organic chemistry","2015","80","2","762","769","10.1021/jo502140d","","","0.71073","MoKα","","0.0482","0.0412","","","0.1033","0.1076","","","","","","1.044","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030383","9.5372","0.0009","13.6718","0.0012","13.9866","0.0014","90","","90","","90","","1823.7","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Filatova, Ekaterina A.; Pozharskii, Alexander F.; Gulevskaya, Anna V.; Ozeryanskii, Valery A.","Multiple Transformations of 2-Alkynyl-1,8-bis(dimethylamino)naphthalenes into Benzo[g]indoles. Pd/Cu-Dependent Switching of the Electrophilic and Nucleophilic Sites in Acetylenic Bond and a Puzzle of Porcelain Catalysis.","The Journal of organic chemistry","2015","80","2","872","881","10.1021/jo502363t","","","0.71073","MoKα","","0.0556","0.041","","","0.0903","0.0981","","","","","","1.021","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030387","7.3188","0.0007","21.396","0.002","22.175","0.002","90","","90","","90","","3472.5","0.6","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H35 Br N2 O7 -","- C41 H35 Br N2 O7 -","- C164 H140 Br4 N8 O28 -","4","1","","Wang, Cong-Shuai; Zhu, Ren-Yi; Zheng, Jian; Shi, Feng; Tu, Shu-Jiang","Enantioselective Construction of Spiro[indoline-3,2'-pyrrole] Framework via Catalytic Asymmetric 1,3-Dipolar Cycloadditions Using Allenes as Equivalents of Alkynes.","The Journal of organic chemistry","2014","80","1","512","","10.1021/jo502516e","","","0.71073","MoKα","","0.17","0.062","","","0.1046","0.1354","","","","","","0.967","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030388","5.7652","0.0015","14.062","0.004","20.949","0.005","90","","90","","90","","1698.3","0.8","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl(<i>R</i>,<i>E</i>)-4-(4-bromophenyl)-2-hydroxy-2-(2-oxo-2-phenyethyl) but-3-enoate","","- C19 H17 Br O4 -","- C19 H17 Br O4 -","- C76 H68 Br4 O16 -","4","1","","Konda, Swapna; Guo, Qun-Sheng; Abe, Manabu; Huang, Huicai; Arman, Hadi; Zhao, John C.-G.","Organocatalyzed Asymmetric Aldol Reactions of Ketones and β,γ-Unsaturated α-Ketoesters and Phenylglyoxal Hydrates.","The Journal of organic chemistry","2015","80","2","806","815","10.1021/jo502254e","","","0.71073","MoKα","","0.0627","0.0566","","","0.1283","0.1328","","","","","","1.003","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030389","7.422","0.002","10.122","0.003","16.852","0.005","90","","90","","90","","1266","0.6","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2[(S)-2-(4-bromophneyl)-1-hydroxy-2-oxoethyl]cyclohexanone","","- C14 H15 Br O3 -","- C14 H15 Br O3 -","- C56 H60 Br4 O12 -","4","1","","Konda, Swapna; Guo, Qun-Sheng; Abe, Manabu; Huang, Huicai; Arman, Hadi; Zhao, John C.-G.","Organocatalyzed Asymmetric Aldol Reactions of Ketones and β,γ-Unsaturated α-Ketoesters and Phenylglyoxal Hydrates.","The Journal of organic chemistry","2015","80","2","806","815","10.1021/jo502254e","","","0.71073","MoKα","","0.0594","0.0568","","","0.1337","0.1356","","","","","","0.998","","","","has coordinates","178482","2020-10-21","18:00:00",""
"4030399","6.205","0.0014","8.1355","0.0018","35.791","0.008","90","","90","","90","","1806.8","0.7","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Br N2 O3 -","- C16 H27 Br N2 O3 -","- C64 H108 Br4 N8 O12 -","4","1","","Zheng, Xiao; Liu, Juan; Ye, Chen-Xi; Wang, Ao; Wang, Ai-E; Huang, Pei-Qiang","SmI2-Mediated Radical Coupling Strategy to Securinega Alkaloids: Total Synthesis of (-)-14,15-Dihydrosecurinine and Formal Total Synthesis of (-)-Securinine.","The Journal of organic chemistry","2015","80","2","1034","1041","10.1021/jo502522x","","","0.71073","MoKα","","0.053","0.0388","","","0.0894","0.0945","","","","","","0.9612","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4030415","6.4001","0.0002","8.8476","0.0002","19.4784","0.0005","90","","90","","90","","1102.97","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O4 S -","- C11 H16 O4 S -","- C44 H64 O16 S4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","Synthetic Studies toward Polytwistane Hydrocarbon Nanorods.","The Journal of organic chemistry","2015","80","4","2042","2055","10.1021/jo502618g","","","0.71073","MoKα","","0.0453","0.0345","","","0.0746","0.08","","","","","","1.062","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030465","11.1849","0.0002","11.7522","0.0002","47.233","0.003","90","","90","","90","","6208.6","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O3 S -","- C16 H21 N O3 S -","- C256 H336 N16 O48 S16 -","16","4","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","1.54187","CuKα","","0.0808","0.0628","","","0.1531","0.1785","","","","","","1.096","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030466","6.364","0.002","12.235","0.003","13.112","0.003","90","","90","","90","","1020.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Martinand-Lurin, Elodie; Gruber, Raymond; Retailleau, Pascal; Fleurat-Lessard, Paul; Dauban, Philippe","Studies on the formal [3 + 2] cycloaddition of aziridines with alkenes for the synthesis of 1-azaspiroalkanes.","The Journal of organic chemistry","2015","80","3","1414","1426","10.1021/jo502333j","","","0.71073","MoKα","","0.0409","0.0329","","","0.0755","0.0804","","","","","","1.034","","","","has coordinates,has disorder","178483","2020-10-21","18:00:00",""
"4030484","7.282","0.003","12.23","0.004","14.226","0.003","90","","90","","90","","1267","0.7","","","163","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 B F11 P S -","- C5 H9 B F11 P S -","- C20 H36 B4 F44 P4 S4 -","4","1","","Wessolowski, H.; Roschenthaler, G.-V.; Winter, R.; Gard, G. L.; Pon, G.; Willett, R.","The improved preparation of (E)-SF5CF=CFI and the crystal structure of [SF5CF=CFP(CH3)3]+BF4-","European Journal of Solid State and Inorganic Chemistry","1992","29","","1173","1187","","","x-ray","1.54178","CuKα","","","0.0553","","","0.0863","","","","","","","","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030539","9.2798","0.0011","11.1028","0.0015","22.049","0.003","90","","90","","90","","2271.7","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","azepane","(3aR,4aR,8S,9aR,9bR)-tert-butyl 9a-acetamido-8-acetoxy-2,2-dimethylhexahydro-3aH-[1,3]dioxolo [4',5':4,5]furo[2,3-c]azepine-6(9bH)-carboxylate","","- C20 H32 N2 O8 -","- C20 H32 N2 O8 -","- C80 H128 N8 O32 -","4","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0637","0.0473","","","0.1033","0.1115","","","","","","1.031","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030540","6.1419","0.001","20.457","0.003","27.077","0.004","90","","90","","90","","3402.1","0.9","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Pyranoisoxazole","(3aR,5aR,7aR,10aS,10bR)-1-benzyl-9,9-dimethyloctahydro-[1,3]dioxolo [4'',5'':4',5']pyrano[2',3':2,3]furo[3,4-c]isoxazole","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C144 H184 N8 O40 -","8","2","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.1584","0.0721","","","0.1857","0.2356","","","","","","1.007","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030542","5.906","0.002","9.576","0.004","29.275","0.013","90","","90","","90","","1655.7","1.2","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Furodioxazocin","(3S,6aS,7aR,10aR,10bR)-1-benzyl-9,9-dimethylhexahydro-1H-3,10b-methano [1,3]dioxolo[4',5':4,5]furo[3,2-c][1,6,2]dioxazocine","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.045","0.0345","","","0.0716","0.0803","","","","","","1.032","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030543","7.6184","0.0003","9.1016","0.0004","15.0206","0.0007","90","","90","","90","","1041.52","0.08","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyloxazinane","((2R,4aS,6aR,7R,9aS)-2-methyloctahydrofuro[3',4':2,3]furo[3,4-d][1,3]oxazin-7-yl)methanol","","- C10 H17 N O4 -","- C10 H17 N O4 -","- C40 H68 N4 O16 -","4","1","","Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B.","Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives.","The Journal of organic chemistry","2014","80","2","1136","","10.1021/jo502672x","","","0.71073","MoKα","","0.0463","0.039","","","0.1109","0.1281","","","","","","0.973","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030546","6.6788","0.0004","9.7813","0.0006","33.0675","0.0016","90","","90","","90","","2160.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O6 Si -","- C21 H24 N2 O6 Si -","- C84 H96 N8 O24 Si4 -","4","1","","Mori-Quiroz, Luis M; Maleczka, Jr, Robert E","Stereoconvergent [1,2]- and [1,4]-Wittig Rearrangements of 2-Silyl-6-aryl-5,6-dihydropyrans: A Tale of Steric vs Electronic Regiocontrol of Divergent Pathways.","The Journal of organic chemistry","2015","80","2","1163","","10.1021/jo5026942","","x-ray","1.54178","CuKα","","0.1006","0.0834","","","0.2177","0.2276","","","","","","1.088","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030547","6.0115","0.0004","7.0059","0.0004","38.087","0.002","90","","90","","90","","1604.07","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F2 O2 -","- C19 H22 F2 O2 -","- C76 H88 F8 O8 -","4","1","","Thaharn, Watcharaporn; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","Asymmetric Synthesis of gem-Difluoromethylenated Linear Triquinanes via Cascade gem-Difluoroalkyl Radical Cyclization.","The Journal of organic chemistry","2015","80","2","816","827","10.1021/jo5022579","","","0.71073","MoKα","","0.0777","0.0655","","","0.1391","0.145","","","","","","1.169","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030549","8.4181","0.0004","10.6238","0.0005","19.2166","0.0009","90","","90","","90","","1718.58","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","SBR1332","","","- C21 H16 N O2 S -","- C21 H17 N O2 S -","- C84 H68 N4 O8 S4 -","4","1","","Seo, Boram; Jeon, Woo Hyung; Kim, Jaeeun; Kim, Sunghwa; Lee, Phil Ho","Synthesis of Fluorenes via Tandem Copper-Catalyzed [3 + 2] Cycloaddition and Rhodium-Catalyzed Denitrogenative Cyclization in a 5-Exo Mode from 2-Ethynylbiaryls and N-Sulfonyl Azides in One Pot.","The Journal of organic chemistry","2014","80","2","722","","10.1021/jo5027113","","","0.71073","","","0.0645","0.0451","","","0.0902","0.0998","","","","","","1.033","","","","has coordinates,has disorder","178484","2020-10-21","18:00:00",""
"4030550","8.1416","0.0004","12.3151","0.0006","16.6694","0.0008","90","","90","","90","","1671.35","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S,Rp)-(-)-Methyl N-t-butoxycarbonyl-N-(1-phenylethyl)-hydroxymethylphosphonamidate","","- C15 H24 N O5 P -","- C15 H24 N O5 P -","- C60 H96 N4 O20 P4 -","4","1","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0436","0.0357","","","0.0849","0.0888","","","","","","1.016","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030551","6.146","0.0002","9.9844","0.0004","27.163","0.0011","90","","90","","90","","1666.83","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,Rp)-(+)-Methyl (1-t-butoxycarbonylamino-1-phenylethyl)-(hydroxymethyl)phosphinate","","- C15 H24 N O5 P -","- C15 H24 N O5 P -","- C60 H96 N4 O20 P4 -","4","1","","Qian, Renzhe; Roller, Alexander; Hammerschmidt, Friedrich","Phosphonate-Phosphinate Rearrangement.","The Journal of organic chemistry","2015","80","2","1082","","10.1021/jo502567j","","","0.71073","MoKα","","0.0374","0.0326","","","0.0854","0.0882","","","","","","1.057","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030564","4.8196","0.0001","12.2685","0.0002","24.9326","0.0004","90","","90","","90","","1474.25","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","","Njiojob, Costyl N.; Rhinehart, Jennifer L.; Bozell, Joseph J.; Long, Brian K.","Synthesis of enantiomerically pure lignin dimer models for catalytic selectivity studies.","The Journal of organic chemistry","2015","80","3","1771","1780","10.1021/jo502685k","","","0.71073","MoKα","","0.0399","0.0384","","","0.1131","0.1147","","","","","","1.094","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030580","6.195","0.001","9.737","0.001","19.016","0.002","90","","90","","90","","1147.1","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-t-butyl(hydroxymethyl)phenylphosphine oxide","","- C11 H17 O2 P -","- C11 H17 O2 P -","- C44 H68 O8 P4 -","4","1","","Sowa, Sylwia; Stankevič, Marek; Szmigielska, Anna; Małuszyńska, Hanna; Kozioł, Anna E; Pietrusiewicz, K Michał","Reduction of Functionalized Tertiary Phosphine Oxides with BH3.","The Journal of organic chemistry","2015","80","3","1672","1688","10.1021/jo502623g","","","1.54184","CuKα","","0.0313","0.0297","","","0.0795","0.0814","","","","","","1.063","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030588","10.1133","0.0017","13.543","0.002","23.296","0.004","90","","90","","90","","3190.7","0.9","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Br N O4 S -","- C40 H32 Br N O4 S -","- C160 H128 Br4 N4 O16 S4 -","4","1","","Wang, Zi-Tian; Zhao, Yuan; Wang, Zhan-Yong; Cheng, Ying","N-Heterocyclic Carbene-Catalyzed Diastereoselective and Enantioselective Reaction of 2-Aroylvinylcinnamaldehydes with α,β-Unsaturated Imines: Complete Control and Switch of Diastereoselectivity by N-Substituents of Catalysts.","The Journal of organic chemistry","2015","80","3","1727","1734","10.1021/jo502668c","","","0.71075","MoKα","","0.0492","0.0391","","","0.0688","0.0727","","","","","","0.985","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030590","6.9842","0.0003","8.328","0.0003","36.1818","0.0018","90","","90","","90","","2104.49","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N O8 P -","- C18 H28 N O8 P -","- C72 H112 N4 O32 P4 -","4","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Quinine-Derived Thiourea and Squaramide Catalyzed Conjugate Addition of α-Nitrophosphonates to Enones: Asymmetric Synthesis of Quaternary α-Aminophosphonates.","The Journal of organic chemistry","2015","80","3","1402","1413","10.1021/jo502332r","","","0.71073","MoKα","","0.0709","0.0542","","","0.1321","0.1479","","","","","","1.047","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030592","12.68","0.02","19.14","0.03","6.208","0.012","90","","90","","90","","1507","4","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O6 S -","- C17 H18 O6 S -","- C68 H72 O24 S4 -","4","1","","Uetake, Yuta; Uwamori, Masahiro; Nakada, Masahisa","Enantioselective Approach to Polycyclic Polyprenylated Acylphloroglucinols via Catalytic Asymmetric Intramolecular Cyclopropanation.","The Journal of organic chemistry","2015","80","3","1735","1745","10.1021/jo5026699","","","0.71075","MoKα","","","0.0977","","","","0.2489","","","","","","1.08","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030599","8.7897","0.0004","9.3515","0.0005","27.8276","0.0012","90","","90","","90","","2287.34","0.19","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N3 O2 S -","- C23 H35 N3 O2 S -","- C92 H140 N12 O8 S4 -","4","1","","Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy","Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.","The Journal of organic chemistry","2015","80","3","1533","1549","10.1021/jo502382q","","x-ray","0.7107","MoKα","","0.0441","0.038","","","0.0794","0.0821","","","","","","1.012","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030601","4.8715","0.0002","13.7364","0.0005","31.9079","0.001","90","","90","","90","","2135.18","0.13","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N3 O2 -","- C24 H27 N3 O2 -","- C96 H108 N12 O8 -","4","1","","Azuaje, Jhonny; Pérez-Rubio, José M; Yaziji, Vicente; El Maatougui, Abdelaziz; González-Gomez, José Carlos; Sánchez-Pedregal, V\?íctor M; Navarro-Vázquez, Armando; Masaguer, Christian F.; Teijeira, Marta; Sotelo, Eddy","Integrated Ugi-Based Assembly of Functionally, Skeletally, and Stereochemically Diverse 1,4-Benzodiazepin-2-ones.","The Journal of organic chemistry","2015","80","3","1533","1549","10.1021/jo502382q","","x-ray","0.7107","MoKα","","0.076","0.0479","","","0.1058","0.1223","","","","","","1.035","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030654","7.0209","0.0002","7.6049","0.0002","23.4143","0.0005","90","","90","","90","","1250.17","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Br N3 O2 -","- C12 H12 Br N3 O2 -","- C48 H48 Br4 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter","Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group.","The Journal of organic chemistry","2015","80","4","2103","2119","10.1021/jo5025927","","","0.71073","MoKα","","0.045","0.0322","","","0.0613","0.0645","","","","","","1.028","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030669","6.6807","0.0005","7.3529","0.0006","17.0246","0.0013","90","","90","","90","","836.29","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O -","- C9 H12 N2 O -","- C36 H48 N8 O4 -","4","1","","Wagner, Alexander; Ofial, Armin R.","Potassium Thiocyanate as Source of Cyanide for the Oxidative α-Cyanation of Tertiary Amines.","The Journal of organic chemistry","2015","80","5","2848","2854","10.1021/jo502846c","","","0.71073","MoKα","","0.0353","0.031","","","0.074","0.0761","","","","","","1.09","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030672","7.9707","0.0019","8.873","0.002","16.273","0.004","90","","90","","90","","1150.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Tang, Jian; Grampp, Günter; Liu, Yun; Wang, Bing-Xiang; Tao, Fei-Fei; Wang, Li-Jun; Liang, Xue-Zheng; Xiao, Hui-Quan; Shen, Yong-Miao","Visible Light Mediated Cyclization of Tertiary Anilines with Maleimides Using Nickel(II) Oxide Surface-Modified Titanium Dioxide Catalyst.","The Journal of organic chemistry","2015","80","5","2724","2732","10.1021/jo502901h","","","0.71073","MoKα","","0.0817","0.0433","","","0.0793","0.0921","","","","","","1.006","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030688","8.7841","0.0005","9.9078","0.0005","27.3053","0.0014","90","","90","","90","","2376.4","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O6 S -","- C21 H31 N O6 S -","- C84 H124 N4 O24 S4 -","4","1","","Wang, Huijing; Tang, Pei; Zhou, Qilong; Zhang, Dan; Chen, Zhitao; Huang, Hongxiu; Qin, Yong","One-pot synthesis of multisubstituted butyrolactonimidates: total synthesis of (-)-nephrosteranic Acid.","The Journal of organic chemistry","2015","80","5","2494","2502","10.1021/jo5029166","","","0.71073","MoKα","","0.1064","0.0608","","","0.1204","0.143","","","","","","1.015","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030689","4.01959","0.00008","13.20565","0.00016","27.5746","0.0004","90","","90","","90","","1463.7","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","","Piotrowicz, Michał; Zakrzewski, Janusz; Métivier, Rémi; Brosseau, Arnaud; Makal, Anna; Woźniak, Krzysztof","Aerobic Palladium(II)-Catalyzed Dehydrogenative Heck Reaction in the Synthesis of Pyrenyl Fluorophores. A Photophysical Study of β-Pyrenyl Acrylates in Solution and in the Solid State.","The Journal of organic chemistry","2015","80","5","2573","2581","10.1021/jo502619k","","x-ray","1.54184","CuKα","","0.0307","0.03","","","0.0812","0.0821","","","","","","1.054","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030697","5.7035","0.0002","7.8753","0.0003","45.6289","0.0015","90","","90","","90","","2049.5","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl O3 S -","- C22 H23 Cl O3 S -","- C88 H92 Cl4 O12 S4 -","4","1","","Borah, Madhurjya; Gogoi, Paramartha; Indukuri, Kiran; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Tetrahydrothiophenes and -thiopyrans via Thia-Prins Cyclization Reaction.","The Journal of organic chemistry","2015","80","5","2641","2648","10.1021/jo502831w","","","0.71073","MoKα","","0.0491","0.0422","","","0.0948","0.1028","","","","","","1.101","","","","has coordinates","178485","2020-10-21","18:00:00",""
"4030725","8.077","0.0005","10.5732","0.0008","26.8277","0.0018","90","","90","","90","","2291.1","0.3","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 -","- C24 H30 N2 O4 -","- C96 H120 N8 O16 -","4","1","","Ha, Min Woo; Lee, Myungmo; Choi, Sujee; Kim, Seek; Hong, Suckchang; Park, Yohan; Kim, Mi-Hyun; Kim, Taek-Soo; Lee, Jihoon; Lee, Jae Kyun; Park, Hyeung-Geun","Construction of Chiral α-Amino Quaternary Stereogenic Centers via Phase-Transfer Catalyzed Enantioselective α-Alkylation of α-Amidomalonates.","The Journal of organic chemistry","2015","80","6","3270","3279","10.1021/jo502791d","","","0.71075","MoKα","","","0.0447","","","","0.1297","","","","","","1.032","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030749","9.5333","0.0007","11.1732","0.0008","17.3909","0.0012","90","","90","","90","","1852.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 F N O4 -","- C22 H18 F N O4 -","- C88 H72 F4 N4 O16 -","4","1","","Que, Yonglei; Li, Tuanjie; Yu, Chenxia; Wang, Xiang-Shan; Yao, Changsheng","Enantioselective Assembly of Spirocyclic Oxindole-dihydropyranones through NHC-Catalyzed Cascade Reaction of Isatins with N-Hydroxybenzotriazole Esters of α,β-Unsaturated Carboxylic Acid.","The Journal of organic chemistry","2015","80","6","3289","3294","10.1021/jo502920w","","","1.54178","CuKα","","0.055","0.0443","","","0.1007","0.1097","","","","","","1.017","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030750","8.339","0.0002","17.6239","0.0005","20.3855","0.0005","90","","90","","90","","2995.97","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H51 N3 O6 -","- C33 H51 N3 O6 -","- C132 H204 N12 O24 -","4","1","","Peng, Lingling; Mo, Fanyang; Zhang, Qinghai","Cholate-based synthesis of size-tunable cage compounds.","The Journal of organic chemistry","2015","80","2","1221","1228","10.1021/jo5023734","","","1.54178","CuKα","","0.0343","0.0338","","","0.0883","0.0888","","","","","","1.05","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030767","7.6917","0.0009","11.1008","0.0016","14.3086","0.0019","90","","90","","90","","1221.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O -","- C14 H17 N O -","- C56 H68 N4 O4 -","4","1","","Silva, Saúl; Rodrigues, Paula; Bento, Isabel; Maycock, Christopher D.","The aza-wharton reaction: syntheses of cyclic allylic amines and vicinal hydroxyamines from the respective acylaziridines.","The Journal of organic chemistry","2015","80","6","3067","3074","10.1021/jo5029387","","","0.71073","MoKα","","0.0581","0.0437","","","0.0959","0.1035","","","","","","1.024","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030775","11.271","0.002","19.526","0.003","20.822","0.004","90","","90","","90","","4582.5","1.4","","","163","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H66 Eu2 O10 -","","","4","1","","Evans, W. J.; McClelland, W. G.; Greci, M. A.; Ziller, J. W.","The utility of aryloxide ligands as bridging ligands for europium and calcium- containing compounds","European Journal of Solid State and Inorganic Chemistry","1996","33","","145","156","","","x-ray","0.71073","MoKα","","","0.028","","","0.033","","","","","","","","","","","","178486","2020-10-21","18:00:00",""
"4030780","11.1799","0.0015","11.3455","0.0014","14.897","0.002","90","","90","","90","","1889.6","0.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C84 H84 Br4 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0367","0.0286","","","0.0626","0.0785","","","","","","1.175","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030782","11.1601","0.0007","11.3394","0.0007","14.8359","0.001","90","","90","","90","","1877.5","0.2","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O3 S -","- C21 H21 Br O3 S -","- C84 H84 Br4 O12 S4 -","4","1","","Mal, Kanchan; Das, Supriya; Maiti, Nakul C.; Natarajan, Ramalingam; Das, Indrajit","ZnI2-Catalyzed Diastereoselective [4 + 2] Cycloadditions of β,γ-Unsaturated α-Ketothioesters with Olefins.","The Journal of organic chemistry","2015","80","6","2972","2988","10.1021/jo5024766","","","0.71073","MoKα","","0.0473","0.0389","","","0.084","0.0876","","","","","","1.029","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030828","15.068","0.0004","23.3472","0.0006","24.7931","0.0006","90","","90","","90","","8722.1","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C92.54 H120.54 Cl1.63 O16 -","- C92.543 H120.543 Cl1.629 O16 -","- C370.172 H482.172 Cl6.516 O64 -","4","1","","Boinski, Tomasz; Cieszkowski, Artur; Rosa, Bartłomiej; Szumna, Agnieszka","Hybrid [n]Arenes through Thermodynamically Driven Macrocyclization Reactions.","The Journal of organic chemistry","2015","80","7","3488","","10.1021/acs.joc.5b00099","","","1.54178","CuKα","","0.1139","0.1021","","","0.2677","0.2767","","","","","","1.03","","","","has coordinates,has disorder","178487","2020-10-21","18:00:00",""
"4030831","11.259","0.002","11.411","0.002","11.892","0.002","90","","90","","90","","1527.8","0.5","","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 B Br F14 -","","","4","1","","Frohn, H. J.; Giesen, M.; Welting, D.; Henkel, G.","Contributions to the chemistry of brominetrifluorides. Part 2. Bis(pentafluorophenyl)brominium cations with weak nucleophilic fluoroelementate anions","European Journal of Solid State and Inorganic Chemistry","1996","33","","841","853","","","x-ray","0.71073","MoKα","","","0.0479","","","0.0481","","","","","","","","","","","","189065","2020-10-21","18:00:00",""
"4030906","5.299","0.001","7.318","0.001","41.529","0.007","90","","90","","90","","1610.4","0.5","","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Al3 Ba4 Cu2 F21 -","- Al3 Ba4 Cu2 F21 -","- Al12 Ba16 Cu8 F84 -","4","1","","Dupont, N.; Samouël, M.; Gredin, P.; de Kozak, A.","The crystal structure of a complex barium, aluminium, copper(II) fluoride: Ba~4~Cu~2~Al~3~F~21~","European Journal of Solid State and Inorganic Chemistry","1998","35","1","39","47","10.1016/S0992-4361(98)80013-1","","x-ray","0.71069","MoKα","","","0.042","","","0.124","","","","","","","","","","","has coordinates","182187","2020-10-21","18:00:00",""
"4030929","9.5965","0.0009","10.3616","0.0009","22.821","0.002","90","","90","","90","","2269.2","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 O6 S -","- C26 H22 O6 S -","- C104 H88 O24 S4 -","4","1","","Hansen, Steen U.; Dalton, Charlotte E.; Baráth, Marek; Kwan, Glenn; Raftery, James; Jayson, Gordon C.; Miller, Gavin J.; Gardiner, John M.","Synthesis of l-Iduronic Acid Derivatives via [3.2.1] and [2.2.2] l-Iduronic Lactones from Bulk Glucose-Derived Cyanohydrin Hydrolysis: A Reversible Conformationally Switched Superdisarmed/Rearmed Lactone Route to Heparin Disaccharides.","The Journal of organic chemistry","2015","80","8","3777","3789","10.1021/jo502776f","","","1.54178","CuKα","","0.0278","0.0258","","","0.0639","0.0657","","","","","","1.05","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030932","11.5731","0.0004","20.5327","0.0008","38.4094","0.0014","90","","90","","90","","9127.1","0.6","297.1","0.4","297.1","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C448 H392 O84 -","28","7","","Tian, Tian; Li, Liqi; Xue, Jijun; Zhang, Jie; Li, Ying","Enantioselective Syntheses of Spiroketals via a Tandem Reaction of Cu(I) -Catalyzed Cycloetherification and H-Bond-induced [4 + 2] Cyclization.","The Journal of organic chemistry","2015","","","150407100357003","","10.1021/acs.joc.5b00384","","","0.7107","MoKα","","0.1155","0.0624","","","0.1025","0.1285","","","","","","1.05","","","","has coordinates","178488","2020-10-21","18:00:00",""
"4030939","4.828","0.001","11.011","0.001","25.645","0.002","90","","90","","90","","1363.3","0.3","","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H20 N2 O8 P2 -","- C6 H20 N2 O8 P2 -","- C24 H80 N8 O32 P8 -","4","1","","Soumhi, E. H.; Saadoune, I.; Driss, A.; Jouini, T.","Structure of (C~3~H~5~NH~3~)~2~H~2~P~2~O~7~ · H~2~O","European Journal of Solid State and Inorganic Chemistry","1998","35","10-11","699","706","10.1016/S0992-4361(99)80010-1","","x-ray","0.71069","MoKα","","","0.0283","","","0.0732","","","","","","","1.077","","","","has coordinates","182190","2020-10-21","18:00:00",""
"4030949","5.9348","0.0005","14.4165","0.0015","21.785","0.002","90","","90","","90","","1863.9","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","EDT-TTF-CF3, FeCl4","","","- C9 H5 Cl4 F3 Fe S6 -","- C9 H5 Cl4 F3 Fe S6 -","- C36 H20 Cl16 F12 Fe4 S24 -","4","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.0675","0.0411","","","0.0497","0.0545","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030950","9.4587","0.0005","9.6256","0.0004","11.5993","0.0006","90","","90","","90","","1056.07","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 O S3 -","- C9 H10 O S3 -","- C36 H40 O4 S12 -","4","1","","Silva, Rafaela A. L.; Vieira, Bruno J. C.; Andrade, Marta M.; Santos, Isabel C.; Rabaça, Sandra; Belo, Dulce; Almeida, Manuel","TTFs nonsymmetrically fused with alkylthiophenic moieties.","Beilstein journal of organic chemistry","2015","11","","628","637","10.3762/bjoc.11.71","","","0.71073","MoKα","","0.0398","0.0329","","","0.0767","0.0793","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030961","7.8772","0.0016","9.0475","0.0018","26.626","0.005","90","","90","","90","","1897.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Br N O4 -","- C21 H16 Br N O4 -","- C84 H64 Br4 N4 O16 -","4","1","","Hu, Zhi-Peng; Zhuang, Zhe; Liao, Wei-Wei","Asymmetric Synthesis of Dihydronaphthoquinones Containing Adjacent Stereocenters via a Sulfa-Michael Addition Triggered Ring-Expansion Approach.","The Journal of organic chemistry","2015","80","9","4627","4637","10.1021/acs.joc.5b00502","","","0.71073","MoKα","","0.1059","0.0518","","","0.1131","0.1354","","","","","","0.939","","","","has coordinates,has disorder","138284","2020-10-21","18:00:00",""
"4030964","8.88","0.0016","10.855","0.003","16.771","0.003","90","","90","","90","","1616.6","0.6","293","","296.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N S -","- C20 H18 N S -","- C80 H72 N4 S4 -","4","1","","Jha, Mukund; Shelke, Ganesh M.; Cameron, T. Stanley; Kumar, Anil","Access to Substituted Dihydrothiopyrano[2,3-b]indoles via Sequential Rearrangements During S-Alkylation and Au-Catalyzed Hydroarylation on Indoline-2-thiones.","The Journal of organic chemistry","2015","80","10","5272","5278","10.1021/jo5025943","","","0.71075","MoKα","","","0.0764","","","","0.0822","","","","","","1.168","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4030982","9.37265","0.00013","9.64096","0.00014","17.4564","0.0002","90","","90","","90","","1577.38","0.04","119.99","0.1","119.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0347","0.0337","","","0.0863","0.0876","","","","","","1.052","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030985","9.46505","0.0001","10.5284","0.00011","18.0621","0.0002","90","","90","","90","","1799.92","0.03","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O2 -","- C19 H19 F3 N2 O2 -","- C76 H76 F12 N8 O8 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0376","0.0368","","","0.0929","0.0941","","","","","","1.096","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030986","9.42849","0.00013","10.19836","0.00014","17.3158","0.0003","90","","90","","90","","1665","0.04","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O S -","- C18 H22 N2 O S -","- C72 H88 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0354","0.0339","","","0.0889","0.0908","","","","","","1.053","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030988","9.53269","0.00013","9.99519","0.00013","17.74","0.0003","90","","90","","90","","1690.29","0.04","119.99","0.1","119.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O S -","- C18 H22 N2 O S -","- C72 H88 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0338","0.0318","","","0.0806","0.0824","","","","","","1.042","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030990","5.78072","0.00013","9.29719","0.00017","27.664","0.0005","90","","90","","90","","1486.79","0.05","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F3 N2 O S -","- C14 H17 F3 N2 O S -","- C56 H68 F12 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0474","0.0464","","","0.1238","0.1257","","","","","","1.059","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030991","9.42268","0.00011","10.66811","0.00013","18.2399","0.0002","90","","90","","90","","1833.51","0.04","119.97","0.1","119.97","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O S -","- C19 H19 F3 N2 O S -","- C76 H76 F12 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0312","0.0297","","","0.078","0.0794","","","","","","1.025","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030994","9.31801","0.00006","10.65613","0.00007","18.11473","0.00012","90","","90","","90","","1798.68","0.02","120.3","0.6","120.3","0.6","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 F2 N2 O S -","- C19 H20 F2 N2 O S -","- C76 H80 F8 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","1.54184","CuKα","","0.0243","0.024","","","0.0634","0.0635","","","","","","1.088","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4030996","8.1156","0.0006","19.852","0.0012","12.9765","0.0009","90","","90","","90","","2090.7","0.2","121","2","121","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl3 F2 N2 O S -","- C19 H21 Cl3 F2 N2 O S -","- C76 H84 Cl12 F8 N8 O4 S4 -","4","1","","Engel-Andreasen, Jens; Wich, Kathrine; Laursen, Jonas S.; Harris, Pernille; Olsen, Christian A.","Effects of thionation and fluorination on cis-trans isomerization in tertiary amides: an investigation of N-alkylglycine (peptoid) rotamers.","The Journal of organic chemistry","2015","80","11","5415","5427","10.1021/acs.joc.5b00048","","x-ray","0.71073","MoKα","","0.0741","0.0609","","","0.1738","0.1851","","","","","","1.101","","","","has coordinates","140158","2020-10-21","18:00:00",""
"4031038","5.75012","0.00008","14.30489","0.00018","25.1436","0.0003","90","","90","","90","","2068.18","0.05","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Cl2 N O -","- C24 H21 Cl2 N O -","- C96 H84 Cl8 N4 O4 -","4","1","","Degennaro, Leonardo; Pisano, Luisa; Parisi, Giovanna; Mansueto, Rosmara; Clarkson, Guy J.; Shipman, Michael; Luisi, Renzo","Nitrogen Stereodynamics and Complexation Phenomena as Key Factors in the Deprotonative Dynamic Resolution of Alkylideneaziridines: A Spectroscopic and Computational Study.","The Journal of organic chemistry","2015","80","12","6411","6418","10.1021/acs.joc.5b00848","","x-ray","1.54184","CuKα","","0.0357","0.0339","","","0.0909","0.0926","","","","","","1.03","","","","has coordinates","141367","2020-10-21","18:00:00",""
"4031040","11.2911","0.0014","11.5932","0.0013","12.2066","0.0014","90","","90","","90","","1597.8","0.3","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O2 -","- C17 H24 N2 O2 -","- C68 H96 N8 O8 -","4","1","","Slater, Kara A.; Friestad, Gregory K.","Mn-Mediated Radical-Ionic Annulations of Chiral N-Acylhydrazones.","The Journal of organic chemistry","2015","80","12","6432","6440","10.1021/acs.joc.5b00863","","","0.71073","MoKα","","0.0643","0.0406","","","0.0804","0.0893","","","","","","1.024","","","","has coordinates,has disorder","140149","2020-10-21","18:00:00",""
"4031054","11.7512","0.0002","13.6029","0.0002","16.0553","0.0002","90","","90","","90","","2566.45","0.07","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N3 O2 -","- C31 H29 N3 O2 -","- C124 H116 N12 O8 -","4","1","","Jin, Xing; Willeke, Matthias; Lucchesi, Ralph; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Wibbeling, Birgit; Uhl, Werner; Würthwein, Ernst-Ulrich","Hydroalumination of Ketenimines and Subsequent Reactions with Heterocumulenes: Synthesis of Unsaturated Amide Derivatives and 1,3-Diimines.","The Journal of organic chemistry","2015","80","12","6062","6075","10.1021/acs.joc.5b00466","","","0.71073","MoKα","","0.0385","0.035","","","0.0779","0.0813","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031061","5.4242","0.0013","15.518","0.005","23.693","0.005","90","","90","","90","","1994.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N3 O6 -","- C18 H23 N3 O6 -","- C72 H92 N12 O24 -","4","1","","Mishra, Amrita; Tiwari, Vinod K.","One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.","The Journal of organic chemistry","2015","80","10","4869","4881","10.1021/acs.joc.5b00179","","","0.71073","MoKα","","0.2514","0.0757","","","0.0784","0.117","","","","","","0.976","","","","has coordinates","138000","2020-10-21","18:00:00",""
"4031065","5.2638","0.0002","19.753","0.0008","46.4372","0.0018","90","","90","","90","","4828.3","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H52 I2 N4 O11 -","- C51 H52 I2 N4 O11 -","- C204 H208 I8 N16 O44 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.54178","CuKα","","0.0347","0.0301","","","0.0734","0.0752","","","","","","1.047","","","","has coordinates,has disorder","138003","2020-10-21","18:00:00",""
"4031066","4.9813","0.0006","15.186","0.0017","30.852","0.004","90","","90","","90","","2333.8","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 I N2 O5 -","- C25 H25 I N2 O5 -","- C100 H100 I4 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.34139","GaKα","","0.0699","0.0562","","","0.1352","0.1418","","","","","","1.012","","","","has coordinates","138004","2020-10-21","18:00:00",""
"4031068","5.1384","0.0003","15.0009","0.0009","28.0218","0.0016","90","","90","","90","","2159.9","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C100 H104 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.34139","GaKα","","0.0886","0.054","","","0.1053","0.1172","","","","","","1.072","","","","has coordinates","138006","2020-10-21","18:00:00",""
"4031069","9.4075","0.0008","12.1987","0.001","27.339","0.002","90","","90","","90","","3137.4","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 N2 O7 -","- C35 H38 N2 O7 -","- C140 H152 N8 O28 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Insight into Transannular Cyclization Reactions To Synthesize Azabicyclo[X.Y.Z]alkanone Amino Acid Derivatives from 8-, 9-, and 10-Membered Macrocyclic Dipeptide Lactams.","The Journal of organic chemistry","2015","80","10","4904","4918","10.1021/acs.joc.5b00237","","x-ray","1.34139","GaKα","","0.117","0.0547","","","0.1057","0.1246","","","","","","1.012","","","","has coordinates,has disorder","138007","2020-10-21","18:00:00",""
"4031070","11.494","0.003","12.538","0.003","16.684","0.004","90","","90","","90","","2404.4","1","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cl3 N O4 S -","- C23 H18 Cl3 N O4 S -","- C92 H72 Cl12 N4 O16 S4 -","4","1","","Wen, Jiangwei; Wei, Wei; Xue, Shengnan; Yang, Daoshan; Lou, Yu; Gao, Chaoyang; Wang, Hua","Metal-Free Oxidative Spirocyclization of Alkynes with Sulfonylhydrazides Leading to 3-Sulfonated Azaspiro[4,5]trienones.","The Journal of organic chemistry","2015","80","10","4966","4972","10.1021/acs.joc.5b00361","","","0.71073","MoKα","","0.0817","0.0579","","","0.1332","0.1458","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031072","5.6009","0.0011","14.502","0.003","24.919","0.005","90","","90","","90","","2024","0.7","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O5 -","- C24 H23 N O5 -","- C96 H92 N4 O20 -","4","1","","Wang, Feng; Li, Zhen; Wang, Jie; Li, Xin; Cheng, Jin-Pei","Enantioselective Synthesis of Dihydropyran-Fused Indoles through [4+2] Cycloaddition between Allenoates and 3-Olefinic Oxindoles.","The Journal of organic chemistry","2015","80","10","5279","5286","10.1021/acs.joc.5b00212","","","0.71073","MoKα","","0.0403","0.0381","","","0.0823","0.084","","","","","","1.077","","","","has coordinates","138010","2020-10-21","18:00:00",""
"4031086","8.569","0.001","10.803","0.0008","25.531","0.0005","90","","90","","90","","2363.4","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,4,4-trinitrobutyl nitrocarbamate","4,4,4-trinitrobutyl nitrocarbamate","","- C5 H7 N5 O10 -","- C5 H7 N5 O10 -","- C40 H56 N40 O80 -","8","2","","Axthammer, Quirin J.; Krumm, Burkhard; Klapötke, Thomas M","Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.","The Journal of organic chemistry","2015","80","12","6329","6335","10.1021/acs.joc.5b00655","","","0.71073","MoKα","","0.1046","0.076","","","0.2012","0.2352","","","","","","1.033","","","","has coordinates","140153","2020-10-21","18:00:00",""
"4031098","7.5235","0.0004","15.9222","0.0009","20.545","0.0012","90","","90","","90","","2461.1","0.2","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 O4 S -","- C32 H28 O4 S -","- C128 H112 O16 S4 -","4","1","","Usui, Kazuteru; Yamamoto, Kosuke; Shimizu, Takashi; Okazumi, Mieko; Mei, Biao; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Synthesis and Resolution of Substituted [5]Carbohelicenes.","The Journal of organic chemistry","2015","80","12","6502","6508","10.1021/acs.joc.5b00759","","","0.71075","MoKα","","0.0266","0.0261","","","0.0744","0.0751","","","","","","0.997","","","","has coordinates","140155","2020-10-21","18:00:00",""
"4031099","7.3352","0.0015","15.87","0.003","20.672","0.004","90","","90","","90","","2406.4","0.8","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 O4 S -","- C32 H28 O4 S -","- C128 H112 O16 S4 -","4","1","","Usui, Kazuteru; Yamamoto, Kosuke; Shimizu, Takashi; Okazumi, Mieko; Mei, Biao; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Synthesis and Resolution of Substituted [5]Carbohelicenes.","The Journal of organic chemistry","2015","80","12","6502","6508","10.1021/acs.joc.5b00759","","","0.71075","MoKα","","0.0278","0.0267","","","0.069","0.0697","","","","","","1.052","","","","has coordinates","140155","2020-10-21","18:00:00",""
"4031101","7.48247","0.0001","12.22704","0.00013","17.86813","0.00019","90","","90","","90","","1634.73","0.03","123.01","0.1","123.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dimethyl (S)-2-(1-(4-nitrophenyl)-1,4-dioxopentan-3-yl)malonate","","- C16 H17 N O8 -","- C16 H17 N O8 -","- C64 H68 N4 O32 -","4","1","","Lippur, Kristin; Kaabel, Sandra; Järving, Ivar; Rissanen, Kari; Kanger, Tõnis","CaCl2, Bisoxazoline, and Malonate: A Protocol for an Asymmetric Michael Reaction.","The Journal of organic chemistry","2015","80","12","6336","6341","10.1021/acs.joc.5b00769","","x-ray","1.54184","CuKα","","0.0249","0.0241","","","0.061","0.0616","","","","","","1.049","","","","has coordinates","140147","2020-10-21","18:00:00",""
"4031114","12.9777","0.001","14.6182","0.0011","19.5826","0.0015","90","","90","","90","","3715","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H54 F3 O5 P Pd S -","- C35 H54 F3 O5 P Pd S -","- C140 H216 F12 O20 P4 Pd4 S4 -","4","1","","DeAngelis, A. J.; Gildner, Peter G.; Chow, Ruishan; Colacot, Thomas J.","Generating Active ""L-Pd(0)"" via Neutral or Cationic π-Allylpalladium Complexes Featuring Biaryl/Bipyrazolylphosphines: Synthetic, Mechanistic, and Structure-Activity Studies in Challenging Cross-Coupling Reactions.","The Journal of organic chemistry","2015","80","13","6794","6813","10.1021/acs.joc.5b01005","","","0.71073","MoKα","","0.0207","0.0193","","","0.0472","0.0481","","","","","","1.052","","","","has coordinates,has disorder","140137","2020-10-21","18:00:00",""
"4031123","5.5475","0.0005","16.3419","0.0015","19.7031","0.0016","90","","90","","90","","1786.2","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N -","- C21 H27 N -","- C84 H108 N4 -","4","1","","Drouillat, B.; Wright, K.; Quinodoz, P.; Marrot, J.; Couty, F.","Aza-[2,3]-Wittig Sigmatropic Rearrangement of Allylic Tertiary Amines: A Successful Example with High Chirality Transfer.","The Journal of organic chemistry","2015","80","13","6936","6940","10.1021/acs.joc.5b01230","","","0.71073","MoKα","","0.0635","0.0427","","","0.0903","0.1006","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031124","5.537","0.003","8.819","0.005","25.832","0.016","90","","90","","90","","1261.4","1.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 -","- C15 H18 N2 -","- C60 H72 N8 -","4","1","","Shih, Yu-Chiao; Tsai, Pei-Hua; Hsu, Chia-Chun; Chang, Chih-Wei; Jhong, Yuandong; Chen, Yun-Chung; Chien, Tun-Cheng","Biomimetic Approach toward the Total Synthesis of rac-2-(Acylmethylene)pyrrolidine Alkaloids.","The Journal of organic chemistry","2015","80","13","6669","6678","10.1021/acs.joc.5b00836","","","0.71073","MoKα","","0.1531","0.0593","","","0.1119","0.1459","","","","","","0.981","","","","has coordinates","152866","2020-10-21","18:00:00",""
"4031149","10.3843","0.0003","15.2193","0.0003","18.2734","0.0004","90","","90","","90","","2887.96","0.12","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol /2-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C140 H152 O20 -","4","1","","Barton, Benita; Caira, Mino R.; Hosten, Eric C.; McCleland, Cedric W.; Weitz, Selwyn","Clathrates of TETROL: Further Aspects of the Selective Inclusion of Methylcyclohexanones in Their Energetically Unfavorable Axial Methyl Conformations.","The Journal of organic chemistry","2015","80","14","7184","7192","10.1021/acs.joc.5b01067","","","0.71073","MoKα","","0.04","0.0335","","","0.082","0.0862","","","","","","1.03","","","","has coordinates,has disorder","152870","2020-10-21","18:00:00",""
"4031152","5.6115","0.0011","9.994","0.0019","28.653","0.006","90","","90","","90","","1606.9","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O2 -","- C20 H18 Br N O2 -","- C80 H72 Br4 N4 O8 -","4","1","","Suga, Hiroyuki; Sekikawa, Yurie; Misawa, Shunta; Kinugawa, Daito; Oda, Rinnosuke; Itoh, Kennosuke; Toda, Yasunori; Kiyono, Ryotaro","Chiral Lewis Acid-Catalyzed Enantioselective Cycloadditions between Indoles and Cyclic Carbonyl Ylides Derived from Diazodiketone or Diazoketoester Derivatives.","The Journal of organic chemistry","2015","80","13","6687","6696","10.1021/acs.joc.5b00835","","","0.71073","MoKα","","0.0301","0.0264","","","0.0523","0.0533","","","","","","0.949","","","","has coordinates","140138","2020-10-21","18:00:00",""
"4031153","7.494","0.009","11.707","0.015","34.23","0.04","90","","90","","90","","3003","6","293.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N3 -","- C19 H15 N3 -","- C76 H60 N12 -","4","1","","Saikia, Pallabi; Gogoi, Sanjib; Boruah, Romesh C.","Carbon-Carbon Bond Cleavage Reaction: Synthesis of Multisubstituted Pyrazolo[1,5-a]pyrimidines.","The Journal of organic chemistry","2015","80","13","6885","6889","10.1021/acs.joc.5b00933","","","0.71075","MoKα","","","0.1085","","","","0.0896","","","","","","6.395","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031156","4.98554","0.00007","20.3658","0.0004","21.6733","0.0003","90","","90","","90","","2200.59","0.06","293.7","0.2","293.7","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C112 H92 N4 O12 -","4","1","","Zhang, Shuang; Luo, Yong-Chun; Hu, Xiu-Qin; Wang, Zhu-Yin; Liang, Yong-Min; Xu, Peng-Fei","Enantioselective Amine-Catalyzed [4 + 2] Annulations of Allene Ketones and 2,3-Dioxopyrrolidine Derivatives: Synthesis of 4H-Pyran Derivatives.","The Journal of organic chemistry","2015","80","14","7288","7294","10.1021/acs.joc.5b00961","","","1.5418","CuKα","","0.0391","0.0368","","","0.1032","0.1071","","","","","","1.032","","","","has coordinates","152876","2020-10-21","18:00:00",""
"4031176","6.6558","","7.1539","","16.5506","","90","","90","","90","","788.056","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Pr (H2 P O2) (H P O3) (H2 O)) (H2 O)","","- H7 O7 P2 Pr -","- H7 O7 P2 Pr -","- H28 O28 P8 Pr4 -","4","1","","Seddon, J.A.; Platt, A.W.G.; Jackson, A.R.W.; Kresinski, R.A.","Complexes of the lanthanide metals (La - Nd, Sm - Lu) with hypophosphite and phosphite ligands: crystal structures of (Ce (H2 P O2)3 (H2 O)), (Dy (H2 P O2)3) and (Pr (H2 P O2) (H P O3) (H2 O)) . (H2 O)","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1999","1999","","2189","2196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031178","8.4161","0.0002","13.3624","0.0003","24.8701","0.0005","90","","90","","90","","2796.87","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N O4 P -","- C32 H32 N O4 P -","- C128 H128 N4 O16 P4 -","4","1","","Zhuang, Yue; He, Yuwei; Zhou, Zihong; Xia, Wang; Cheng, Chuyu; Wang, Meng; Chen, Bin; Zhou, Zhongyuan; Pang, Jiyan; Qiu, Liqin","Synthesis of a Class of Chiral-Bridged Phosphoramidite Ligands and Their Applications in the First Iridium-Catalyzed Asymmetric Addition of Arylboronic Acids to Isatins.","The Journal of organic chemistry","2015","80","14","6968","6975","10.1021/acs.joc.5b00595","","","0.71073","MoKα","","0.0613","0.0377","","","0.0797","0.0906","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031281","6.27393","0.00018","16.0274","0.0005","20.185","0.0005","90","","90","","90","","2029.7","0.1","291","2","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br F N O2 -","- C23 H17 Br F N O2 -","- C92 H68 Br4 F4 N4 O8 -","4","1","","Duan, Shaobo; Li, Sanliang; Ye, Xinyi; Du, Nuan-Nuan; Tan, Choon-Hong; Jiang, Zhiyong","Enantioselective Synthesis of Dialkylated α-Hydroxy Carboxylic Acids through Asymmetric Phase-Transfer Catalysis.","The Journal of organic chemistry","2015","80","15","7770","7778","10.1021/acs.joc.5b01081","","x-ray","1.54184","CuKα","","0.0573","0.0501","","","0.1447","0.1532","","","","","","1.019","","","","has coordinates","154688","2020-10-21","18:00:00",""
"4031282","8.1655","0.0003","15.7026","0.0005","20.6676","0.001","90","","90","","90","","2649.99","0.18","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 Br3 N3 O -","- C24 H32 Br3 N3 O -","- C96 H128 Br12 N12 O4 -","4","1","","Duan, Shaobo; Li, Sanliang; Ye, Xinyi; Du, Nuan-Nuan; Tan, Choon-Hong; Jiang, Zhiyong","Enantioselective Synthesis of Dialkylated α-Hydroxy Carboxylic Acids through Asymmetric Phase-Transfer Catalysis.","The Journal of organic chemistry","2015","80","15","7770","7778","10.1021/acs.joc.5b01081","","","1.54184","CuKα","","0.033","0.0305","","","0.074","0.0758","","","","","","1.035","","","","has coordinates","154688","2020-10-21","18:00:00",""
"4031307","6.9872","0.0007","11.6575","0.0012","11.8586","0.0012","90","","90","","90","","965.92","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Ramesh, Remya; Bell, Vaughn; Twidle, Andrew M.; Gonnade, Rajesh; Reddy, D. Srinivasa","Enantiospecific Synthesis of Both Enantiomers of the Longtailed Mealybug Pheromone and Their Evaluation in a New Zealand Vineyard.","The Journal of organic chemistry","2015","80","15","7785","7789","10.1021/acs.joc.5b01131","","","0.71073","MoKα","","0.0356","0.0329","","","0.0806","0.0824","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031311","5.8248","0.0002","14.0599","0.0004","14.9651","0.0005","90","","90","","90","","1225.58","0.07","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","5-methylbenzo[c]phenanthrene","","- C19 H14 -","- C19 H14 -","- C76 H56 -","4","1","","Thomson, Paul F.; Parrish, Damon; Pradhan, Padmanava; Lakshman, Mahesh K.","Modular, Metal-Catalyzed Cycloisomerization Approach to Angularly Fused Polycyclic Aromatic Hydrocarbons and Their Oxidized Derivatives.","The Journal of organic chemistry","2015","80","15","7435","7446","10.1021/acs.joc.5b00931","","","1.54178","CuKα","","0.0294","0.0291","","","0.0762","0.0766","","","","","","1.101","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031316","5.789","0.0004","11.4354","0.0009","23.674","0.003","90","","90","","90","","1567.2","0.3","100.2","","100.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 F -","- C24 H15 F -","- C96 H60 F4 -","4","1","","Guo, Biao; Zhou, Yiming; Zhang, Lei; Hua, Ruimao","Brønsted Acid-Promoted One-Pot Synthesis of Chrysene Derivatives via Isochromenylium Intermediate Formed in Situ.","The Journal of organic chemistry","2015","80","15","7635","7641","10.1021/acs.joc.5b01219","","","0.7107","MoKα","","0.0443","0.0381","","","0.079","0.0829","","","","","","1.055","","","","has coordinates","154680","2020-10-21","18:00:00",""
"4031331","7.20516","0.00013","10.1306","0.0002","19.4721","0.0003","90","","90","","90","","1421.32","0.04","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N3 O -","- C16 H16 Cl N3 O -","- C64 H64 Cl4 N12 O4 -","4","1","","Wauters, I.; Goossens, H.; Delbeke, E.; Muylaert, K.; Roman, B. I.; Van Hecke, K.; Van Speybroeck, V.; Stevens, C. V.","Beyond the Diketopiperazine Family with Alternatively Bridged Brevianamide F Analogues.","The Journal of organic chemistry","2015","80","16","8046","8054","10.1021/acs.joc.5b01161","","","1.5418","CuKα","","0.0286","0.0273","","","0.0705","0.0716","","","","","","1.032","","","","has coordinates","154704","2020-10-21","18:00:00",""
"4031339","5.839","0.0011","7.548","0.0014","24.921","0.005","90","","90","","90","","1098.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C48 H40 Br4 N4 O4 -","4","1","","Zhang, Lijun; Tu, Bing; Ge, Min; Li, Yimei; Chen, Liangyu; Wang, Wei; Zhou, Shuangliu","Asymmetric Addition of Pyridyl Aluminum Reagents to Aldehydes Catalyzed by a Titanium(IV) Catalytic System of (R)-H8-BINOLate.","The Journal of organic chemistry","2015","80","16","8307","8313","10.1021/acs.joc.5b01410","","","0.71073","MoKα","","0.0614","0.0404","","","0.0999","0.1087","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031366","18.695","","18.604","","11.605","","90","","90","","90","","4036.24","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Rh12 (C O)25 C2","","- C27 O25 Rh12 -","- C27 O25 Rh12 -","- C108 O100 Rh48 -","4","1","","Albano, V.G.; Strumolo, D.; Martinengo, S.; Sansoni, M.; Chini, P.","New carbide clusters in the cobalt sub-group. part 4. synthesis and crystallographic characterization of mue3-carbonyl-deca-mue-carbonyl-dicarbidotetradeca- carbonyl-polyhydro-dodecarhodium","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1978","1978","","459","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","153978","2020-10-21","18:00:00",""
"4031396","5.601","","9.072","","14.18","","90","","90","","90","","720.518","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","K2 S O4 Sb F3","","- F3 K2 O4 S Sb -","- F3 K2 O4 S Sb -","- F12 K8 O16 S4 Sb4 -","4","1","","Birchall, T.; Ducourant, M.B.; Fourcade, R.; Mascherpa, G.","Complex formation between antimony trifluoride and alkali-metal sulphates. The X-ray crystal structure of K2 S O4 Sb F3 and antimony-121 Moessbauer studies of some related compounds","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1982","1982","","2313","2316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031432","7.88","","7.88","","7.88","","90","","90","","90","","489.304","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Sn2 Cl F3","","- Cl F3 Sn2 -","- Cl F3 Sn2 -","- Cl4 F12 Sn8 -","4","1","","Donaldson, J.D.; Laughlin, D.R.; Puxley, D.C.","The crystal structures of tritin(II) bromide pentafluoride and ditin(II) chloride trifluoride","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1977","1977","","865","868","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031665","6.6","","17.414","","6.494","","90","","90","","90","","746.371","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- K2 S5 -","- K2 S5 -","- K8 S20 -","4","1","","Kelly, B.; Woodward, P.","Crystal structure of dipotassium pentasulphide","Journal of the Chemical Society. Dalton Transactions, Inorganic Chemistry (1972-)","1976","1976","","1314","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4031711","32.848","0.002","9.4827","0.0002","9.8663","0.0002","90","","90","","90","","3073.2","0.2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 Cu N4 O6 -","- C32 H34 Cu N4 O6 -","- C128 H136 Cu4 N16 O24 -","4","1","","Beniazza, Redouane; Bayo, Natalia; Molton, Florian; Duboc, Carole; Massip, Stéphane; McClenaghan, Nathan; Lastécouères, Dominique; Vincent, Jean-Marc","Effective ascorbate-free and photolatent click reactions in water using a photoreducible copper(II)-ethylenediamine precatalyst.","Beilstein journal of organic chemistry","2015","11","","1950","1959","10.3762/bjoc.11.211","","","1.54187","CuKα","","0.0595","0.0553","","","0.1516","0.1566","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031716","6.0282","0.0003","14.1182","0.0006","18.3287","0.0013","90","","90","","90","","1559.91","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 N2 O3 S -","- C13 H24 N2 O3 S -","- C52 H96 N8 O12 S4 -","4","1","","Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer","Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.","The Journal of organic chemistry","2015","80","21","10849","10865","10.1021/acs.joc.5b02003","","","0.71073","MoKα","","0.026","0.0257","","","0.0664","0.0667","","","","","","1.03","","","","has coordinates","170817","2020-10-21","18:00:00",""
"4031718","9.2507","0.0013","9.5787","0.0012","17.633","0.002","90","","90","","90","","1562.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N2 O3 -","- C14 H25 N2 O3 -","- C56 H100 N8 O12 -","4","1","","Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer","Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.","The Journal of organic chemistry","2015","80","21","10849","10865","10.1021/acs.joc.5b02003","","","1.54178","CuKα","","0.0705","0.0644","","","0.1805","0.1904","","","","","","1.036","","","","has coordinates,has disorder","170817","2020-10-21","18:00:00",""
"4031727","6.0713","0.0016","12.715","0.003","22.502","0.006","90","","90","","90","","1737.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N2 O5 -","- C18 H20 N2 O5 -","- C72 H80 N8 O20 -","4","1","","Bhaumik, Atanu; Pathak, Tanmaya","Methyl-α-d-2-selenonyl Pent-2-enofuranoside: A Reactive Selenosugar for the Diversity Oriented Synthesis of Enantiomerically Pure Heterocycles, Carbocycles, and Isonucleosides.","The Journal of organic chemistry","2015","80","21","11057","11064","10.1021/acs.joc.5b01192","","","0.71073","MoKα","","0.2574","0.0745","","","0.1508","0.237","","","","","","0.918","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031728","5.807","0.005","14.774","0.005","20.829","0.005","90","","90","","90","","1787","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C68 H84 N4 O28 -","4","1","","Bhaumik, Atanu; Pathak, Tanmaya","Methyl-α-d-2-selenonyl Pent-2-enofuranoside: A Reactive Selenosugar for the Diversity Oriented Synthesis of Enantiomerically Pure Heterocycles, Carbocycles, and Isonucleosides.","The Journal of organic chemistry","2015","80","21","11057","11064","10.1021/acs.joc.5b01192","","","0.71073","MoKα","","0.2035","0.0748","","","0.1802","0.2628","","","","","","0.881","","","","has coordinates","170813","2020-10-21","18:00:00",""
"4031732","8.753","0.0018","14.773","0.003","28.489","0.006","90","","90","","90","","3683.9","1.3","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H33 Cl2 N3 O2 -","- C48 H33 Cl2 N3 O2 -","- C192 H132 Cl8 N12 O8 -","4","1","","Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration.","The Journal of organic chemistry","2015","80","22","11302","11312","10.1021/acs.joc.5b01778","","","0.71073","MoKα","","0.087","0.0746","","","0.1445","0.1532","","","","","","1.125","","","","has coordinates","170811","2020-10-21","18:00:00",""
"4031755","9.151","0.001","10.67","0.001","17.149","0.001","90","","90","","90","","1674.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5R,6S)-(+)-N-(6-tert-butyl-1-formyl-4-thia-1,2- diazaspiro[4.5]dec-2-en-3-yl)acetamide","","- C15 H25 N3 O2 S -","- C15 H25 N3 O2 S -","- C60 H100 N12 O8 S4 -","4","1","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","x-ray","1.54178","CuKα","","0.0434","0.0341","","","0.0874","0.0945","","","","","","1.073","","","","has coordinates","173592","2020-10-21","18:00:00",""
"4031756","9.602","0.001","11.794","0.001","15.017","0.001","90","","90","","90","","1700.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5S,6S)-(+)-N-(6-tert-butyl-1-formyl-4-thia-1,2- diazaspiro[4.5]dec-2-en-3-yl)acetamide","","- C15 H25 N3 O2 S -","- C15 H25 N3 O2 S -","- C60 H100 N12 O8 S4 -","4","1","","Menta, Sergio; Carradori, Simone; Secci, Daniela; Faggi, Cristina; Mannina, Luisa; Cirilli, Roberto; Pierini, Marco","The Anancomeric Character of the Pharmacophore 1,3,4-Thiadiazoline Framework in Chiral Spiro-Cyclohexyl Derivatives: Effects on Stereochemistry and Spiro-Junction Lability. Thermodynamic Aspects.","The Journal of organic chemistry","2015","80","24","11932","11940","10.1021/acs.joc.5b01635","","x-ray","1.54178","CuKα","","0.0537","0.0387","","","0.1001","0.1133","","","","","","1.022","","","","has coordinates","173592","2020-10-21","18:00:00",""
"4031814","7.702","0.0001","13.1321","0.0002","27.4999","0.0019","90","","90","","90","","2781.4","0.2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 O4 Si2 -","- C28 H44 O4 Si2 -","- C112 H176 O16 Si8 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54178","CuKα","","0.0375","0.0326","","","0.0727","0.0861","","","","","","1.143","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031816","7.7133","0.0001","12.5483","0.0002","25.0132","0.0017","90","","90","","90","","2421","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 O4 Si -","- C23 H36 O4 Si -","- C92 H144 O16 Si4 -","4","1","","Shi, Hang; Tan, Ceheng; Zhang, Weibin; Zhang, Zichun; Long, Rong; Gong, Jianxian; Luo, Tuoping; Yang, Zhen","Gold-Catalyzed Enantio- and Diastereoselective Syntheses of Left Fragments of Azadirachtin/Meliacarpin-Type Limonoids.","The Journal of organic chemistry","2016","81","3","751","771","10.1021/acs.joc.5b02560","","","1.54187","CuKα","","0.0646","0.0542","","","0.1417","0.1678","","","","","","1.228","","","","has coordinates","177421","2020-10-21","18:00:00",""
"4031858","8.14393","0.00011","8.45999","0.00013","16.946","0.0002","90","","90","","90","","1167.54","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl O2 -","- C13 H13 Cl O2 -","- C52 H52 Cl4 O8 -","4","1","","Xu, Gong; Lüthy, Monique; Habegger, Jacqueline; Renaud, Philippe","Homologation Strategy for the Generation of 1-Chloroalkyl Radicals from Organoboranes.","The Journal of organic chemistry","2016","81","4","1506","1519","10.1021/acs.joc.5b02610","","","0.71069","MoKα","","0.0302","0.0273","","","0.0584","0.0602","","","","","","1.139","","","","has coordinates","177417","2020-10-21","18:00:00",""
"4031862","8.7921","0.0018","11.303","0.002","15.658","0.003","90","","90","","90","","1556","0.5","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 -","- C16 H23 N O4 -","- C64 H92 N4 O16 -","4","1","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.0604","0.0523","","","0.1311","0.14","","","","","","1.046","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031864","7.0792","0.0014","10.326","0.002","14.979","0.003","90","","90","","90","","1095","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S2 -","- C11 H10 O2 S2 -","- C44 H40 O8 S8 -","4","1","","Picado, Alfredo; Li, ShengJian; Dieter, R. Karl","A Serendipitous Synthesis of Bis-Heterocyclic Spiro 3(2H)-Furanones.","The Journal of organic chemistry","2016","81","4","1391","1400","10.1021/acs.joc.5b02350","","","0.71073","MoKα","","0.0304","0.0292","","","0.0767","0.0777","","","","","","1.129","","","","has coordinates","177415","2020-10-21","18:00:00",""
"4031870","8.2207","0.0006","13.3837","0.001","17.1443","0.0013","90","","90","","90","","1886.3","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30.67 H21.33 N2.67 O5.33 -","- C30.6667 H21.3333 N2.66667 O5.33333 -","- C92 H64 N8 O16 -","3","0.75","","Devi, Rajkumari Vijilata; Garande, Ashok M.; Maity, Dilip K.; Bhate, Prakash M.","A Serendipitous Synthesis of 11a-Hydroxy-11,11a-dihydrobenzo[e]indeno[2,1-b][1,4]diazepine-10,12-dione Derivatives by Condensation of 2-Aminobenzamides with Ninhydrin in Water.","The Journal of organic chemistry","2016","81","4","1689","1695","10.1021/acs.joc.5b02327","","","0.71073","MoKα","","0.0318","0.0312","","","0.0816","0.0821","","","","","","1.045","","","","has coordinates","177218","2020-10-21","18:00:00",""
"4031884","7.6862","0.0003","10.4995","0.0004","28.4514","0.0011","90","","90","","90","","2296.06","0.15","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N3 O7 -","- C24 H27 N3 O7 -","- C96 H108 N12 O28 -","4","1","","Saglam, Mehmet F.; Alborzi, Ali R.; Payne, Alan D.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S.","Synthesis and Diels-Alder Reactivity of Substituted [4]Dendralenes.","The Journal of organic chemistry","2016","81","4","1461","1475","10.1021/acs.joc.5b02583","","","0.71073","MoKα","","0.0812","0.0582","","0.1576","0.1499","0.1576","","","","","","0.9925","","","","has coordinates","177222","2020-10-21","18:00:00",""
"4031888","10.5272","0.0001","15.2695","0.0002","17.9749","0.0002","90","","90","","90","","2889.38","0.06","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Talipov, Marat R.; Abdelwahed, Sameh H.; Thakur, Khushabu; Reid, Scott A.; Rathore, Rajendra","From Wires to Cables: Attempted Synthesis of 1,3,5-Trifluorenylcyclohexane as a Platform for Molecular Cables.","The Journal of organic chemistry","2016","81","4","1627","1634","10.1021/acs.joc.5b02792","","","1.54178","CuKα","","0.0248","0.0245","","","0.0654","0.0657","","","","","","1.015","","","","has coordinates","177225","2020-10-21","18:00:00",""
"4031896","10.2313","0.0003","14.6185","0.0006","15.0517","0.0006","90","","90","","90","","2251.23","0.14","150","0.1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O3 P2 -","- C23 H32 O3 P2 -","- C92 H128 O12 P8 -","4","1","","Jaklińska, Magdalena; Cordier, Marie; Stankevič, Marek","Stereoselectivity of Michael Addition of P(X)-H-Type Nucleophiles to Cyclohexen-1-ylphosphine Oxide: The Case of Base-Selective Transformation.","The Journal of organic chemistry","2016","81","4","1378","1390","10.1021/acs.joc.5b02337","","","0.71069","MoKα","","0.0534","0.0468","","","0.1096","0.1154","","","","","","1.023","","","","has coordinates","177232","2020-10-21","18:00:00",""
"4031911","9.0085","0.0005","11.9601","0.0007","16.9214","0.001","90","","90","","90","","1823.15","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl2 N O -","- C21 H17 Cl2 N O -","- C84 H68 Cl8 N4 O4 -","4","1","","Patel, Darshan C.; Breitbach, Zachary S.; Woods, Ross M.; Lim, Yeeun; Wang, Andy; Jr, Frank W Foss; Armstrong, Daniel W.","Gram Scale Conversion of R-BINAM to R-NOBIN.","The Journal of organic chemistry","2016","81","3","1295","1299","10.1021/acs.joc.5b02663","","","0.71073","MoKα","","0.0563","0.0545","","","0.198","0.2057","","","","","","1.321","","","","has coordinates","177248","2020-10-21","18:00:00",""
"4031917","6.6165","0.0001","8.5077","0.0002","15.0826","0.0003","90","","90","","90","","849.02","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N2 O -","- C10 H10 N2 O -","- C40 H40 N8 O4 -","4","1","","Zhang, Shi-Jin; Sun, Wen-Wu; Cao, Pei; Dong, Xiao-Ping; Liu, Ji-Kai; Wu, Bin","Stereoselective Synthesis of Diazabicyclic β-Lactams through Intramolecular Amination of Unactivated C(sp(3))-H Bonds of Carboxamides by Palladium Catalysis.","The Journal of organic chemistry","2016","81","3","956","968","10.1021/acs.joc.5b02532","","","1.54178","CuKα","","0.053","0.0468","","","0.1128","0.1345","","","","","","1.179","","","","has coordinates","177254","2020-10-21","18:00:00",""
"4031924","6.4783","0.0013","8.4999","0.0017","23.571","0.005","90","","90","","90","","1297.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","","Ouyang, Lu; Qi, Chaorong; He, Haitao; Peng, Youbin; Xiong, Wenfang; Ren, Yanwei; Jiang, Huanfeng","Base-Promoted Formal [4 + 3] Annulation between 2-Fluorophenylacetylenes and Ketones: A Route to Benzoxepines.","The Journal of organic chemistry","2016","81","3","912","919","10.1021/acs.joc.5b02487","","","0.71073","MoKα","","0.058","0.0276","","","0.0686","0.0833","","","","","","0.914","","","","has coordinates","177261","2020-10-21","18:00:00",""
"4031956","8.56836","0.0001","12.02612","0.00014","14.15115","0.00014","90","","90","","90","","1458.19","0.03","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","","Tang, Fei; Banwell, Martin G.; Willis, Anthony C.","Palladium-Catalyzed Ullmann Cross-Coupling/Tandem Reductive Cyclization Route to Key Members of the Uleine Alkaloid Family.","The Journal of organic chemistry","2016","81","7","2950","2957","10.1021/acs.joc.6b00240","","","1.54184","CuKα","","0.0276","0.0269","","0.0691","0.0686","0.0691","","","","","","1.0024","","","","has coordinates","181359","2020-10-21","18:00:00",""
"4031957","8.0726","0.0005","10.504","0.0006","16.4544","0.0011","90","","90","","90","","1395.24","0.15","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C68 H64 N8 -","4","1","","Quinodoz, Pierre; Drouillat, Bruno; Wright, Karen; Marrot, Jérôme; Couty, François","N-Arylazetidines: Preparation through Anionic Ring Closure.","The Journal of organic chemistry","2016","81","7","2899","2910","10.1021/acs.joc.6b00169","","","0.71073","MoKα","","0.0478","0.0378","","","0.0934","0.0996","","","","","","1.077","","","","has coordinates","181360","2020-10-21","18:00:00",""
"4031966","6.3928","0.0013","14.653","0.003","16.301","0.003","90","","90","","90","","1527","0.5","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O7 -","- C16 H16 N2 O7 -","- C64 H64 N8 O28 -","4","1","","Gayakhe, Vijay; Ardhapure, Ajaykumar; Kapdi, Anant R.; Sanghvi, Yogesh S.; Serrano, Jose Luis; García, Luis; Pérez, Jose; García, Joaquím; Sánchez, Gregorio; Fischer, Christian; Schulzke, Carola","Water-Soluble Pd-Imidate Complexes: Broadly Applicable Catalysts for the Synthesis of Chemically Modified Nucleosides via Pd-Catalyzed Cross-Coupling.","The Journal of organic chemistry","2016","81","7","2713","2729","10.1021/acs.joc.5b02475","","","0.71073","MoKα","","0.0573","0.0437","","","0.1114","0.134","","","","","","1.14","","","","has coordinates","181368","2020-10-21","18:00:00",""
"4031973","8.6709","0.0009","12.9435","0.0016","17.587","0.002","90","","90","","90","","1973.8","0.4","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O3 -","- C25 H25 O3 -","- C100 H100 O12 -","4","1","","Cinar, M. Emin; Engelen, Bernward; Panthöfer, Martin; Deiseroth, Hans-Jörg; Schlirf, Jens; Schmittel, Michael","Scope and mechanism of the highly stereoselective metal-mediated domino aldol reactions of enolates with aldehydes.","Beilstein journal of organic chemistry","2016","12","","813","824","10.3762/bjoc.12.80","","","0.71069","MoKα","","0.0537","0.047","","","0.119","0.1243","","","","","","1.048","","","","has coordinates","185004","2020-10-21","18:00:00",""
"4031989","14.2112","0.0004","17.5594","0.0007","19.6273","0.0007","90","","90","","90","","4897.8","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H57 F6 O P3 Ru -","- C56 H57 F6 O P3 Ru -","- C224 H228 F24 O4 P12 Ru4 -","4","1","","Ma, Hao-Wei; Chen, Pei-Min; Lo, Ji-Xian; Lin, Ying-Chih; Huang, Shou-Ling; Chen, Chi-Ren; Chia, Pi-Yeh","Domino Cyclization of 1,n-Enynes (n = 7, 8, 9) Giving Derivatives of Pyrane, Chromene, Fluorene, Phenanthrene and Dibenzo[7]annulene by Ruthenium Complexes.","The Journal of organic chemistry","2016","81","11","4494","4505","10.1021/acs.joc.6b00260","","","0.71073","MoKα","","0.0507","0.0429","","","0.0993","0.1045","","","","","","1.04","","","","has coordinates,has disorder","183591","2020-10-21","18:00:00",""
"4031994","6.3347","0.0002","12.7819","0.0004","22.8824","0.0007","90","","90","","90","","1852.78","0.1","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","XFL-13-32","","","- C16 H27 F2 N O7 S -","- C16 H27 F2 N O7 S -","- C64 H108 F8 N4 O28 S4 -","4","1","","Liang, Xiaofei; Gopalaswamy, Ramesh; Navas, 3rd, Frank; Toone, Eric J.; Zhou, Pei","A Scalable Synthesis of the Difluoromethyl-allo-threonyl Hydroxamate-Based LpxC Inhibitor LPC-058.","The Journal of organic chemistry","2016","81","10","4393","4398","10.1021/acs.joc.6b00589","","","0.71073","MoKα","","0.0379","0.0303","","","0.0676","0.0708","","","","","","1.024","","","","has coordinates","183543","2020-10-21","18:00:00",""
"4031995","8.308","0.002","12.155","0.003","16.137","0.004","90","","90","","90","","1629.6","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","","Zheng, Yin; Cui, Lei; Wang, Youming; Zhou, Zhenghong","Stereocontrolled Construction of Tetrahydropyrano[2,3-c]pyrazole Scaffold via an Organocatalyzed Formal [3 + 3] Annulation.","The Journal of organic chemistry","2016","81","10","4340","4346","10.1021/acs.joc.6b00196","","","1.54187","CuKα","","0.0245","0.0244","","","0.0661","0.0662","","","","","","1.051","","","","has coordinates","183544","2020-10-21","18:00:00",""
"4032006","10.4681","0.0004","10.6574","0.0005","17.3657","0.0009","90","","90","","90","","1937.36","0.15","298","","297.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Yugandar, S.; Konda, S.; Parameshwarappa, G.; Ila, H.","One-Pot Synthesis of 2,4,5-Trisubstituted Imidazoles via [2 + 2 + 1] Cycloannulation of 1,3-Bishet(aryl)-monothio-1,3-diketones, α-Substituted Methylamines and Sodium Nitrite through α-Nitrosation of Enaminones.","The Journal of organic chemistry","2016","81","13","5606","5622","10.1021/acs.joc.6b00938","","","0.71073","MoKα","","0.0815","0.0525","","","0.1086","0.1198","","","","","","1.059","","","","has coordinates","184158","2020-10-21","18:00:00",""
"4032008","13.195","0.005","23.759","0.005","24.771","0.005","90","0.005","90","0.005","90","0.005","7766","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C85 H96 Cl2 Mg2 N10 O2 S -","- C85 H96 Cl2 Mg2 N10 O2 S -","- C340 H384 Cl8 Mg8 N40 O8 S4 -","4","1","","Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad","A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin.","The Journal of organic chemistry","2016","81","13","5440","5449","10.1021/acs.joc.6b00724","","","0.71069","MoKα","","0.0987","0.0631","","","0.1445","0.1679","","","","","","1.01","","","","has coordinates,has disorder","184159","2020-10-21","18:00:00",""
"4032010","13.6073","0.0011","24.816","0.002","25.86","0.002","90","","90","","90","","8732.4","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C96 H112 Mg2 N8 O4 S -","- C96 H112 Mg2 N8 O4 S -","- C384 H448 Mg8 N32 O16 S4 -","4","1","","Ikbal, Sk Asif; Dhamija, Avinash; Brahma, Sanfaori; Rath, Sankar Prasad","A Nonempirical Approach for Direct Determination of the Absolute Configuration of 1,2-Diols and Amino Alcohols Using Mg(II)bisporphyrin.","The Journal of organic chemistry","2016","81","13","5440","5449","10.1021/acs.joc.6b00724","","","0.71073","MoKα","","0.0768","0.0579","","","0.1399","0.1522","","","","","","1.047","","","","has coordinates,has disorder","184161","2020-10-21","18:00:00",""
"4032020","6.968","0.005","8.073","0.005","17.744","0.01","90","","90","","90","","998.1","1.1","158","2","158","2","","","","","","","Julia M. Clay, SIP student in Jed Fisher lab","3","P 21 21 21","P 2ac 2ab","19","PNU-143663 29580-jff-20B","","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","1","","Clay, Julia M.; Hesek, Dusan; Oliver, Allen G.; Lee, Mijoon; Fisher, Jed F.","Ensemble of Pinanones from the Permanganate Oxidation of Myrtenal.","The Journal of organic chemistry","2016","81","13","5705","5709","10.1021/acs.joc.6b00756","","","0.7107","MoKα","","0.0648","0.0557","","","0.1427","0.1515","","","1.089","","","1.104","","","","has coordinates","184171","2020-10-21","18:00:00",""
"4032021","9.4198","0.0002","9.7083","0.0003","17.1134","0.0004","90","","90","","90","","1565.02","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O4 -","- C18 H26 O4 -","- C72 H104 O16 -","4","1","","Clay, Julia M.; Hesek, Dusan; Oliver, Allen G.; Lee, Mijoon; Fisher, Jed F.","Ensemble of Pinanones from the Permanganate Oxidation of Myrtenal.","The Journal of organic chemistry","2016","81","13","5705","5709","10.1021/acs.joc.6b00756","","","1.54184","CuKα","","0.0294","0.0289","","","0.0738","0.0744","","","","","","1.066","","","","has coordinates","184171","2020-10-21","18:00:00",""
"4032031","11.3822","0.0009","13.3519","0.001","16.9247","0.0013","90","","90","","90","","2572.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br N3 O4 -","- C27 H22 Br N3 O4 -","- C108 H88 Br4 N12 O16 -","4","1","","Zou, Gong-Feng; Zhang, Shi-Qiang; Wang, Jia-Xin; Liao, Wei-Wei","Asymmetric Construction of Functionalized 1,2-Dihydropyridine and Pyridine Derivatives with Adjacent Stereocenters via a Unified Metal-Free Catalytic Approach.","The Journal of organic chemistry","2016","81","13","5717","5725","10.1021/acs.joc.6b00791","","","0.71073","MoKα","","0.1693","0.0627","","","0.142","0.1788","","","","","","0.99","","","","has coordinates","184181","2020-10-21","18:00:00",""
"4032044","6.2818","0.0011","18.682","0.005","33.725","0.005","90","","90","","90","","3957.9","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Cl N O3 -","- C25 H18 Cl N O3 -","- C200 H144 Cl8 N8 O24 -","8","2","","Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W","A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis.","Beilstein journal of organic chemistry","2016","12","","1870","1876","10.3762/bjoc.12.176","","","0.71073","MoKα","","0.2976","0.153","","","0.2038","0.2666","","","","","","0.978","","","","has coordinates","188919","2020-10-21","18:00:00",""
"4032045","5.7034","0.0005","11.3752","0.0011","29.276","0.002","90","","90","","90","","1899.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 Br N O3 -","- C24 H16 Br N O3 -","- C96 H64 Br4 N4 O12 -","4","1","","Goldberg, Mariano; Sartakov, Denis; Bats, Jan W.; Bolte, Michael; Göbel, Michael W","A chiral analog of the bicyclic guanidine TBD: synthesis, structure and Brønsted base catalysis.","Beilstein journal of organic chemistry","2016","12","","1870","1876","10.3762/bjoc.12.176","","","0.71073","MoKα","","0.1305","0.0547","","","0.0886","0.1099","","","","","","0.811","","","","has coordinates","188919","2020-10-21","18:00:00",""
"4032064","6.52","0.0009","10.4602","0.0005","17.7675","0.0008","90","","90","","90","","1211.75","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N4 O3 -","- C13 H10 N4 O3 -","- C52 H40 N16 O12 -","4","1","","Efimov, Ilya V.; Shafikov, Marsel Z.; Beliaev, Nikolai A.; Volkova, Natalia N.; Beryozkina, Tetyana V.; Dehaen, Wim; Fan, Zhijin; Grishko, Viktoria V.; Lubec, Gert; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Combined experimental and theoretical studies of regio- and stereoselectivity in reactions of β-isoxazolyl- and β-imidazolyl enamines with nitrile oxides","Beilstein Journal of Organic Chemistry","2016","12","","2390","","10.3762/bjoc.12.233","","","0.7107","MoKα","","0.0564","0.044","","","0.1098","0.1188","","","","","","1.003","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032074","5.6166","0.0002","13.392","0.0005","31.5475","0.0011","90","","90","","90","","2372.92","0.15","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 N2 O3 -","- C27 H34 N2 O3 -","- C108 H136 N8 O12 -","4","1","","Weber, Carina; Pusch, Stefan; Schollmeyer, Dieter; Münster-Müller, Sascha; Pütz, Michael; Opatz, Till","Characterization of the synthetic cannabinoid MDMB-CHMCZCA","Beilstein Journal of Organic Chemistry","2016","12","","2808","","10.3762/bjoc.12.279","","","1.54178","CuKα","","0.0923","0.0657","","","0.165","0.2109","","","","","","1.121","","","","has coordinates,has disorder","189317","2020-10-21","18:00:00",""
"4032077","4.5847","0.0002","11.7037","0.0005","29.754","0.003","90","","90","","90","","1596.54","0.19","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0789","0.0653","","0.1509","0.1431","0.1509","","","","","","1.0037","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032083","8.6743","0.0016","10.0778","0.0017","22.329","0.003","90","","90","","90","","1952","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1368","0.0582","","","0.0813","0.0992","","","","","","0.982","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032089","8.956","0.0007","14.3354","0.0012","17.8668","0.0014","90","","90","","90","","2293.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 S -","- C28 H27 N O2 S -","- C112 H108 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1857","0.0671","","","0.141","0.1951","","","","","","0.862","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032092","7.6259","0.0015","10.43","0.002","17.696","0.004","90","","90","","90","","1407.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 F2 N2 O2 -","- C16 H12 F2 N2 O2 -","- C64 H48 F8 N8 O8 -","4","1","","Cai, Shangjun; Lin, Songyun; Yi, Xiangli; Xi, Chanjuan","Substrate-Controlled Transformation of Azobenzenes to Indazoles and Indoles via Rh(III)-Catalysis.","The Journal of organic chemistry","2017","82","1","512","520","10.1021/acs.joc.6b02548","","","0.71073","MoKα","","0.0374","0.0369","","","0.0883","0.0887","","","","","","1.053","","","","has coordinates","193544","2020-10-21","18:00:00",""
"4032093","5.9753","0.0016","26.495","0.008","29.833","0.009","90","","90","","90","","4723","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H41 Br3 N10 O9 -","- C48 H41 Br3 N10 O9 -","- C192 H164 Br12 N40 O36 -","4","1","","Ma, Zhiqiang; You, Lin; Chen, Chuo","Stereocontrolled Formation of a [4.4]Heterospiro Ring System with Unexpected Inversion of Configuration at the Spirocenter.","The Journal of organic chemistry","2017","82","1","731","736","10.1021/acs.joc.6b02266","","","0.71075","MoKα","","0.0992","0.0855","","","0.1433","0.1492","","","","","","1.201","","","","has coordinates","193540","2020-10-21","18:00:00",""
"4032094","8.3581","0.0006","11.1996","0.0008","15.9048","0.001","90","","90","","90","","1488.81","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Peraino, Nicholas J.; Kaster, Sven H.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Asymmetric Synthesis of γ-Lactones through Koga Amine-Controlled Addition of Enediolates to α,β-Unsaturated Sulfoxonium Salts.","The Journal of organic chemistry","2017","82","1","606","615","10.1021/acs.joc.6b02622","","","1.54178","CuKα","","0.0298","0.0281","","","0.0681","0.069","","","","","","1.094","","","","has coordinates","193534","2020-10-21","18:00:00",""
"4032104","6.56614","0.00012","12.6523","0.0002","16.1928","0.0003","90","","90","","90","","1345.25","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C48 H60 N20 O24 -","4","1","","Mitsuoka, Yasunori; Yamamoto, Tsuyoshi; Kugimiya, Akira; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Fujimura, Yuko; Kato, Yuki; Hari, Yoshiyuki; Obika, Satoshi","Triazole- and Tetrazole-Bridged Nucleic Acids: Synthesis, Duplex Stability, Nuclease Resistance, and in Vitro and in Vivo Antisense Potency.","The Journal of organic chemistry","2017","82","1","12","24","10.1021/acs.joc.6b02417","","","1.54187","CuKα","","0.028","0.0269","","","0.0667","0.0678","","","","","","1.097","","","","has coordinates","193542","2020-10-21","18:00:00",""
"4032105","6.53502","0.00016","12.7185","0.0003","16.1657","0.0004","90","","90","","90","","1343.62","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N6 O6 -","- C11 H14 N6 O6 -","- C44 H56 N24 O24 -","4","1","","Mitsuoka, Yasunori; Yamamoto, Tsuyoshi; Kugimiya, Akira; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Fujimura, Yuko; Kato, Yuki; Hari, Yoshiyuki; Obika, Satoshi","Triazole- and Tetrazole-Bridged Nucleic Acids: Synthesis, Duplex Stability, Nuclease Resistance, and in Vitro and in Vivo Antisense Potency.","The Journal of organic chemistry","2017","82","1","12","24","10.1021/acs.joc.6b02417","","","1.54187","CuKα","","0.0735","0.0573","","","0.1303","0.1559","","","","","","1.135","","","","has coordinates","193542","2020-10-21","18:00:00",""
"4032134","7.277","0.0001","10.8148","0.0001","19.2366","0.0003","90","","90","","90","","1513.91","0.03","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0347","0.0343","","","0.0931","0.0934","","","","","","1.047","","","","has coordinates","193596","2020-10-21","18:00:00",""
"4032137","8.419","0.0001","17.2192","0.0001","18.2072","0.0001","90","","90","","90","","2639.47","0.04","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C116 H176 O12 -","4","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0317","0.0307","","","0.0852","0.0862","","","","","","1.039","","","","has coordinates","193589","2020-10-21","18:00:00",""
"4032140","6.1952","0.0005","10.7715","0.0008","27.987","0.003","90","","90","","90","","1867.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Borah, Madhurjya; Borthakur, Upasana; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Morpholines from N-Tethered Alkenols: Total Synthesis of (±)-Chelonin A.","The Journal of organic chemistry","2017","82","3","1330","1339","10.1021/acs.joc.6b02260","","","0.71073","MoKα","","0.1895","0.1235","","","0.2528","0.3338","","","","","","1.108","","","","has coordinates","193601","2020-10-21","18:00:00",""
"4032151","6.12","0.003","13.432","0.006","23.716","0.01","90","","90","","90","","1949.5","1.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br O5 -","- C23 H17 Br O5 -","- C92 H68 Br4 O20 -","4","1","","Wang, Yuanfeng; Pan, Jian; Dong, Jingjiao; Yu, Chenxia; Li, Tuanjie; Wang, Xiang-Shan; Shen, Shide; Yao, Changsheng","N-Heterocyclic Carbene-Catalyzed [4 + 2] Cyclization of Saturated Carboxylic Acid with o-Quinone Methides through in Situ Activation: Enantioselective Synthesis of Dihydrocoumarins.","The Journal of organic chemistry","2017","82","3","1790","1795","10.1021/acs.joc.6b02444","","","0.71073","MoKα","","0.0951","0.0386","","","0.0659","0.078","","","","","","1.028","","","","has coordinates","193587","2020-10-21","18:00:00",""
"4032152","12.812","0.013","14.447","0.021","7.456","0.012","90","","90","","90","","1380","3","","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- O20 P4 Ti5 -","- O20 P4 Ti5 -","- O80 P16 Ti20 -","4","1","","Reinauer, F.; Glaum, R.; Gruehn, R.","Preparation and chemical vapour transport of mixed valent titanium(III, IV)-phosphates. With a note on the crystal structure of titanium(IV)-orthophosphate Ti~5~P~4~O~20~","European Journal of Solid State and Inorganic Chemistry","1994","31","","779","791","","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","190906","2020-10-21","18:00:00",""
"4032167","9.5426","0.0005","14.1928","0.0006","18.2177","0.0008","90","","90","","90","","2467.3","0.2","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 F6 N2 P -","- C24 H29 F6 N2 P -","- C96 H116 F24 N8 P4 -","4","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.0519","0.0416","","","0.0959","0.1048","","","","","","1.102","","","","has coordinates,has disorder","193566","2020-10-21","18:00:00",""
"4032169","15.1197","0.0009","17.6938","0.0011","28.1469","0.0017","90","","90","","90","","7530","0.8","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl Cu N2 -","- C27 H30 Cl Cu N2 -","- C324 H360 Cl12 Cu12 N24 -","12","3","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.1634","0.0679","","","0.0927","0.117","","","","","","0.971","","","","has coordinates","193566","2020-10-21","18:00:00",""
"4032170","9.6418","0.0005","13.0731","0.0007","16.4088","0.001","90","","90","","90","","2068.3","0.2","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 F6 N2 P -","- C19 H27 F6 N2 P -","- C76 H108 F24 N8 P4 -","4","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.0519","0.0439","","","0.1079","0.1132","","","","","","1.019","","","","has coordinates,has disorder","193566","2020-10-21","18:00:00",""
"4032187","7.2554","0.0001","15.7659","0.0003","16.4944","0.0003","90","","90","","90","","1886.76","0.06","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 I N O5 S -","- C18 H14 I N O5 S -","- C72 H56 I4 N4 O20 S4 -","4","1","","Zhang, Sheng; Li, Lijun; Xin, Lilan; Liu, Wenmin; Xu, Kun","Asymmetric Aziridination of N-Sulphonyl Ketimines with Unfunctionalized Ketones: A One-pot Approach to Multisubstituted Fused Aziridines.","The Journal of organic chemistry","2017","82","5","2399","2406","10.1021/acs.joc.6b02827","","","1.54184","CuKα","","0.0852","0.0842","","","0.2177","0.2203","","","","","","1.047","","","","has coordinates","193555","2020-10-21","18:00:00",""
"4032192","6.2759","0.0002","9.9429","0.0003","23.3483","0.0006","90","","90","","90","","1456.95","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Milbeo, Pierre; Moulat, Laure; Didierjean, Claude; Aubert, Emmanuel; Martinez, Jean; Calmès, Monique","Synthesis of Enantiopure 1,2-Diaminobicyclo[2.2.2]octane Derivatives, C1-Symmetric Chiral 1,2-Diamines with a Rigid Bicyclic Backbone.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00122","","","1.54184","CuKα","","0.0434","0.0392","","","0.0983","0.103","","","","","","1.061","","","","has coordinates","192649","2020-10-21","18:00:00",""
"4032215","7.2594","0.0003","10.1015","0.0004","26.4392","0.0012","90","","90","","90","","1938.81","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","Li, Xiang; Huang, Wei; Liu, Yan-Qing; Kang, Jing-Wen; Xia, Dan; He, Gu; Peng, Cheng; Han, Bo","Control of Activation Mode To Achieve Diastereodivergence in Asymmetric Syntheses of Chiral Spiropiperidinone Derivatives.","The Journal of organic chemistry","2017","82","1","397","406","10.1021/acs.joc.6b02489","","","0.71073","MoKα","","0.055","0.0486","","","0.121","0.1264","","","","","","1.06","","","","has coordinates","193217","2020-10-21","18:00:00",""
"4032220","7.813","0.0001","11.5034","0.0002","14.4925","0.0002","90","","90","","90","","1302.53","0.03","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 I O4 -","- C11 H17 I O4 -","- C44 H68 I4 O16 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0221","0.021","","0.0511","0.0504","0.0511","","","","","","1.0039","","","","has coordinates","193222","2020-10-21","18:00:00",""
"4032223","7.445","0.004","12.465","0.005","16.095","0.006","90","","90","","90","","1493.6","1.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Majewski, Mark W.; Miller, Patricia A.; Oliver, Allen G.; Miller, Marvin J.","Alternate ""Drug"" Delivery Utilizing β-Lactam Cores: Syntheses and Biological Evaluation of β-Lactams Bearing Isocyanate Precursors.","The Journal of organic chemistry","2017","82","1","737","744","10.1021/acs.joc.6b02272","","","1.54184","CuKα","","0.041","0.0401","","","0.1058","0.107","","","","","","1.034","","","","has coordinates","193225","2020-10-21","18:00:00",""
"4032262","9.5297","0.0018","13.296","0.003","15.643","0.003","90","","90","","90","","1982.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O7 S -","- C20 H20 N2 O7 S -","- C80 H80 N8 O28 S4 -","4","1","","Bezanson, Michelle; Tomberg, Anna; Moitessier, Nicolas","Fluoride-Mediated Desulfonylative Intramolecular Cyclization to Fused and Bridged Bicyclic Compounds: A Complex Mechanism.","The Journal of organic chemistry","2017","82","5","2579","2588","10.1021/acs.joc.6b02999","","","0.71073","MoKα","","0.0449","0.0344","","","0.075","0.0812","","","","","","1.049","","","","has coordinates","193253","2020-10-21","18:00:00",""
"4032263","7.5338","0.0002","15.4969","0.0004","17.657","0.0005","90","","90","","90","","2061.46","0.1","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N3 O3 -","- C21 H31 N3 O3 -","- C84 H124 N12 O12 -","4","1","","Tong, Thu Minh Thi; Soeta, Takahiro; Suga, Takuya; Kawamoto, Keisuke; Hayashi, Yoshihito; Ukaji, Yutaka","Formal Total Synthesis of Manzacidin C Based on Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Imines.","The Journal of organic chemistry","2017","82","4","1969","1976","10.1021/acs.joc.6b02816","","","1.54178","CuKα","","0.0301","0.0301","","","0.0778","0.0778","","","","","","1.103","","","","has coordinates","193254","2020-10-21","18:00:00",""
"4032277","9.4042","0.0018","11.0208","0.0019","12.718","0.002","90","","90","","90","","1318.1","0.4","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0974","0.0656","","","0.1677","0.1743","","","","","","1.436","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032278","7.4955","0.0004","9.7437","0.0006","19.7175","0.0011","90","","90","","90","","1440.05","0.14","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 O5 -","- C15 H21 O5 -","- C60 H84 O20 -","4","1","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0417","0.0357","","","0.1009","0.1129","","","","","","1.117","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032283","10.112","0.005","10.996","0.006","15.378","0.008","90","","90","","90","","1709.9","1.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O4 S -","- C19 H16 N2 O4 S -","- C76 H64 N8 O16 S4 -","4","1","","Ping, Xin-Ni; Wei, Pei-Shun; Zhu, Xiao-Qian; Xie, Jian-Wu","Catalyst-Controlled Switch in Diastereoselectivities: Enantioselective Construction of Functionalized 3,4-Dihydro-2H-thiopyrano[2,3-b]quinolines with Three Contiguous Stereocenters.","The Journal of organic chemistry","2017","82","4","2205","2210","10.1021/acs.joc.6b02688","","","0.71073","MoKα","","0.103","0.0561","","","0.099","0.1175","","","","","","1.011","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032313","6.0244","0.0004","16.4432","0.001","20.5214","0.0013","90","","90","","90","","2032.9","0.2","100","2","99.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N2 O5 -","- C19 H30 N2 O5 -","- C76 H120 N8 O20 -","4","1","","Kang, Chang Won; Sarnowski, Matthew P.; Elbatrawi, Yassin M.; Del Valle, Juan R.","Access to Enantiopure α-Hydrazino Acids for N-Amino Peptide Synthesis.","The Journal of organic chemistry","2017","82","3","1833","1841","10.1021/acs.joc.6b02718","","","1.54178","CuKα","","0.1085","0.0704","","","0.1644","0.1892","","","","","","1.046","","","","has coordinates","193295","2020-10-21","18:00:00",""
"4032343","5.76624","0.00017","11.7165","0.0003","19.6213","0.0006","90","","90","","90","","1325.62","0.07","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 Cl N O3 -","- C15 H10 Cl N O3 -","- C60 H40 Cl4 N4 O12 -","4","1","","Liu, Yueyang; Zhang, Zhiguo; Wan, Yameng; Zhang, Guisheng; Li, Zhonglian; Bi, Jingjing; Ma, Nana; Liu, Tong-Xin; Liu, Qingfeng","Oxidation of β-Ketoamides: The Synthesis of Vicinal Tricarbonyl Amides.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b03062","","","1.54184","CuKα","","0.0492","0.0417","","","0.0908","0.0978","","","","","","1.059","","","","has coordinates","194056","2020-10-21","18:00:00",""
"4032347","7.7664","0.0008","8.1366","0.0009","34.746","0.004","90","","90","","90","","2195.7","0.4","99","2","99","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0827","0.0493","","","0.0906","0.1015","","","","","","1.029","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032350","20.392","0.002","10.2856","0.001","9.7344","0.0015","90","","90","","90","","2041.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O6 S -","- C20 H21 N O6 S -","- C80 H84 N4 O24 S4 -","4","1","","Nath, Utpal; Pan, Subhas Chandra","Organocatalytic Asymmetric Tamura Cycloaddition with α- Branched Nitroolefins: Synthesis of Functionalized 1-Tetralones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b03020","","","0.71073","MoKα","","0.1372","0.0921","","","0.1632","0.1863","","","","","","1.093","","","","has coordinates","194063","2020-10-21","18:00:00",""
"4032360","10.4155","0.0003","11.6395","0.0004","23.3299","0.0012","90","","90","","90","","2828.31","0.19","120","0.1","120","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 Cl3 Fe O4 P -","- C32 H24 Cl3 Fe O4 P -","- C128 H96 Cl12 Fe4 O16 P4 -","4","1","","Korb, Marcus; Lehrich, Steve W.; Lang, Heinrich","Reactivity of Ferrocenyl Phosphates Bearing (Hetero-)Aromatics and [3]Ferrocenophanes toward Anionic Phospho-Fries Rearrangements","The Journal of Organic Chemistry","2017","","","","","10.1021/acs.joc.7b00030","","","0.71073","MoKα","","0.0528","0.0433","","","0.092","0.0965","","","","","","1.024","","","","has coordinates","194064","2020-10-21","18:00:00",""
"4032371","7.925","0.0001","16.3937","0.0002","20.889","0.0004","90","","90","","90","","2713.9","0.07","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O7 -","- C30 H46 O7 -","- C120 H184 O28 -","4","1","","Mestre, Jordi; Matheu, M. Isabel; Díaz, Yolanda; Castillón, Sergio; Boutureira, Omar","Chemical Access to d-Sarmentose Units Enables the Total Synthesis of Cardenolide Monoglycoside N-1 from Nerium oleander.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00210","","","0.7107","MoKα","","0.0384","0.0341","","","0.0869","0.0888","","","","","","1.043","","","","has coordinates","194104","2020-10-21","18:00:00",""
"4032374","8.4252","0.0003","9.1913","0.0004","17.9879","0.0006","90","","90","","90","","1392.96","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Regenass, Pierre; Bosc, Damien; Riché, Stéphanie; Gizzi, Patrick; Hibert, Marcel; Karmazin, Lydia; Ganesan, A.; Bonnet, Dominique","Comparative Study of the Synthesis and Structural and Physicochemical Properties of Diketopiperazines vs Aza-diketopiperazines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02895","","","0.71073","MoKα","","0.0566","0.041","","","0.0881","0.0946","","","","","","1.043","","","","has coordinates","194132","2020-10-21","18:00:00",""
"4032375","8.1197","0.0002","9.1768","0.0003","18.1454","0.0005","90","","90","","90","","1352.07","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N3 O2 -","- C14 H19 N3 O2 -","- C56 H76 N12 O8 -","4","1","","Regenass, Pierre; Bosc, Damien; Riché, Stéphanie; Gizzi, Patrick; Hibert, Marcel; Karmazin, Lydia; Ganesan, A.; Bonnet, Dominique","Comparative Study of the Synthesis and Structural and Physicochemical Properties of Diketopiperazines vs Aza-diketopiperazines.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02895","","","0.71073","MoKα","","0.0457","0.0363","","","0.0813","0.0851","","","","","","1.097","","","","has coordinates","194133","2020-10-21","18:00:00",""
"4032405","9.4413","0.0019","11.46","0.002","20.235","0.004","90","","90","","90","","2189.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N3 O2 -","- C24 H29 N3 O2 -","- C96 H116 N12 O8 -","4","1","","Peng, Jianwen; Gao, Yang; Zhu, Chuanle; Liu, Bifu; Gao, Yinglan; Hu, Miao; Wu, Wanqing; Jiang, Huanfeng","Synthesis of Polysubstituted 3-Amino Pyrroles via Palladium-Catalyzed Multicomponent Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00098","","","0.71073","MoKα","","0.0965","0.0605","","","0.1382","0.154","","","","","","1.0226","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032415","6.442","0.0001","7.5921","0.0001","21.9422","0.0003","90","","90","","90","","1073.16","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0364","0.0351","","0.0638","0.0629","0.0638","","","","","","1","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032424","9.6023","0.0008","11.2451","0.0009","19.0201","0.0015","90","","90","","90","","2053.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Zhu, Meina; Chen, Jingchao; He, Xiaobo; Gu, Cuiping; Xu, Jianbin; Fan, Baomin","Iridium-Catalyzed Anti-Stereoselective Asymmetric Ring-Opening Reactions of Azabenzonorbornadienes with Carboxylic Acids.","The Journal of organic chemistry","2017","82","6","3167","3172","10.1021/acs.joc.7b00178","","","1.54178","CuKα","","0.0459","0.0458","","","0.1287","0.1289","","","","","","1.057","","","","has coordinates","194757","2020-10-21","18:00:00",""
"4032444","6.9573","0.0007","13.1585","0.0013","13.8579","0.0014","90","","90","","90","","1268.7","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3ak","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Simlandy, Amit Kumar; Mukherjee, Santanu","Catalytic Enantioselective Synthesis of 3,4-Unsubstituted Thiochromenes through Sulfa-Michael/Julia-Kocienski Olefination Cascade Reaction.","The Journal of organic chemistry","2017","82","9","4851","4858","10.1021/acs.joc.7b00579","","x-ray","0.71073","MoKα","","0.0554","0.0488","","","0.1274","0.1326","","","","","","1.036","","","","has coordinates","197462","2020-10-21","18:00:00",""
"4032446","7.2203","0.0002","12.1227","0.0004","37.8288","0.0013","90","","90","","90","","3311.14","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H51 N O3 -","- C38 H51 N O3 -","- C152 H204 N4 O12 -","4","1","","Ortiz, Adrian; Soumeillant, Maxime; Savage, Scott A.; Strotman, Neil A.; Haley, Matthew; Benkovics, Tamas; Nye, Jeffrey; Xu, Zhongmin; Tan, Yichen; Ayers, Sloan; Gao, Qi; Kiau, Susanne","Synthesis of HIV-Maturation Inhibitor BMS-955176 from Betulin by an Enabling Oxidation Strategy.","The Journal of organic chemistry","2017","82","9","4958","4963","10.1021/acs.joc.7b00438","","","1.54178","CuKα","","0.0399","0.038","","","0.1075","0.1144","","","","","","1.074","","","","has coordinates","197464","2020-10-21","18:00:00",""
"4032450","5.7229","0.0001","9.5442","0.0002","32.0798","0.0007","90","","90","","90","","1752.21","0.06","100","2","99.88","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br O4 -","- C19 H19 Br O4 -","- C76 H76 Br4 O16 -","4","1","","Wang, Michael H.; Barsoum, David; Schwamb, C. Benjamin; Cohen, Daniel T.; Goess, Brian C.; Riedrich, Matthias; Chan, Audrey; Maki, Brooks E.; Mishra, Rama K.; Scheidt, Karl A.","Catalytic, Enantioselective β-Protonation through a Cooperative Activation Strategy.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00334","","","1.54178","CuKα","","0.0281","0.0252","","","0.0563","0.0575","","","","","","1.071","","","","has coordinates","195790","2020-10-21","18:00:00",""
"4032453","6.8177","0.0008","17.185","0.002","19.121","0.002","90","","90","","90","","2240.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 Cl N O4 -","- C27 H20 Cl N O4 -","- C108 H80 Cl4 N4 O16 -","4","1","","Jin, Jing-Hai; Li, Xiang-Yu; Luo, Xiaoyan; Fossey, John Stephen; Deng, Wei-Ping","Asymmetric Synthesis of cis-3,4-Dihydrocoumarins via [4+2] Cycloadditions Catalyzed by Amidine-Derivatives.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00367","","","0.71073","MoKα","","0.0586","0.0435","","","0.1005","0.1093","","","","","","1.026","","","","has coordinates","195884","2020-10-21","18:00:00",""
"4032457","5.844","0.0001","9.814","0.0001","14.4195","0.0001","90","","90","","90","","827.002","0.017","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","1.54184","CuKα","","0.0267","0.0267","","0.0726","0.0725","0.0726","","","","","","1.0001","","","","has coordinates","196018","2020-10-21","18:00:00",""
"4032459","9.5865","0.0002","13.2423","0.0004","15.168","0.0004","90","","90","","90","","1925.54","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","0.71073","MoKα","","0.0389","0.0317","","0.0752","0.0614","0.0733","","","","","","1","","","","has coordinates","196020","2020-10-21","18:00:00",""
"4032466","8.0463","0.0002","11.0031","0.0003","22.3913","0.0005","90","","90","","90","","1982.4","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6R,9R)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol","","- C19 H33 N O2 Si -","- C19 H33 N O2 Si -","- C76 H132 N4 O8 Si4 -","4","1","","Luo, Guanglin; Chen, Ling; Conway, Charles M.; Kostich, Walter; Johnson, Benjamin M.; Ng, Alicia; Macor, John E.; Dubowchik, Gene M.","Asymmetric Synthesis of the Major Metabolite of a Calcitonin Gene-Related Peptide Receptor Antagonist and Mechanism of Epoxide Hydrogenolysis.","The Journal of organic chemistry","2017","82","7","3710","3720","10.1021/acs.joc.7b00052","","","1.54178","CuKα","","0.0375","0.0362","","","0.1144","0.1163","","","","","","0.989","","","","has coordinates","196027","2020-10-21","18:00:00",""
"4032495","8.7585","0.0005","23.2617","0.0014","24.6838","0.0014","90","","90","","90","","5029","0.5","100.01","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(pyridin-2-ylthio)porphyrin","","- C56 H58 N8 S4 -","- C56 H58 N8 S4 -","- C224 H232 N32 S16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","1.54178","CuKα","","0.0736","0.0656","","","0.1695","0.1773","","","","","","1.035","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032500","8.6656","0.0011","13.9561","0.0017","27.365","0.003","90","","90","","90","","3309.5","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,7,8,12,13,17,18-octaethyl-5,10,15-trinitroporphyrin","","- C36 H43 N7 O6 -","- C36 H43 N7 O6 -","- C144 H172 N28 O24 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0482","0.0411","","","0.0966","0.1","","","","","","1.058","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032505","6.1641","0.0003","17.7996","0.0009","21.8234","0.0012","90","","90","","90","","2394.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C112 H100 N4 O16 -","4","1","","El Bouakher, Abderrahman; Tasserie, Jordan; Le Goff, Ronan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Chemo-, Regio-, and Stereoselective Synthesis of Polysusbtituted Oxazolo[3,2-d][1,4]oxazepin-5(3H)ones via a Domino oxa-Michael/aza-Michael/Williamson Cycloetherification Sequence.","The Journal of organic chemistry","2017","82","11","5798","5809","10.1021/acs.joc.7b00629","","","0.71073","MoKα","","0.0994","0.0472","","","0.1109","0.1324","","","","","","1.011","","","","has coordinates","197470","2020-10-21","18:00:00",""
"4032513","7.85","0.002","9.9","0.003","18.766","0.005","90","","90","","90","","1458.4","0.7","113","","113","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O Si -","- C16 H20 O Si -","- C64 H80 O4 Si4 -","4","1","","Koga, Shinya; Ueki, Shuhei; Shimada, Masaki; Ishii, Ryoma; Kurihara, Yu; Yamanoi, Yoshinori; Yuasa, Junpei; Kawai, Tsuyoshi; Uchida, Taka-Aki; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Access to Chiral Silicon Centers for Application to Circularly Polarized Luminescence Materials.","The Journal of organic chemistry","2017","82","12","6108","6117","10.1021/acs.joc.7b00583","","","0.7107","MoKα","","","0.0487","","","","0.1108","","","","","","1.055","","","","has coordinates","199587","2020-10-21","18:00:00",""
"4032516","8.6175","0.0002","12.9014","0.0004","19.941","0.0007","90","","90","","90","","2217","0.12","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O3 S2 -","- C23 H22 N2 O3 S2 -","- C92 H88 N8 O12 S8 -","4","1","","Kennington, Stuart C. D.; Ferré, Mònica; Romo, Juan M.; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Diastereoselective and Catalytic α-Alkylation of Chiral N-Acyl Thiazolidinethiones with Stable Carbocationic Salts.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00657","","","0.71073","MoKα","","0.0705","0.0474","","","0.106","0.1202","","","","","","1.069","","","","has coordinates","197005","2020-10-21","18:00:00",""
"4032517","8.7462","0.0002","12.0379","0.0003","17.0407","0.0005","90","","90","","90","","1794.15","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O S2 -","- C18 H25 N O S2 -","- C72 H100 N4 O4 S8 -","4","1","","Kennington, Stuart C. D.; Ferré, Mònica; Romo, Juan M.; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè","Diastereoselective and Catalytic α-Alkylation of Chiral N-Acyl Thiazolidinethiones with Stable Carbocationic Salts.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00657","","","0.71073","MoKα","","0.0677","0.0638","","","0.1529","0.157","","","","","","1.039","","","","has coordinates","197006","2020-10-21","18:00:00",""
"4032518","5.65117","0.00009","11.07138","0.00012","29.0073","0.0004","90","","90","","90","","1814.88","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 -","- C17 H29 N O4 -","- C68 H116 N4 O16 -","4","1","","Ruysbergh, Ewout; Van Hecke, Kristof; Stevens, Christian V.; De Kimpe, Norbert; Mangelinckx, Sven","Synthesis of 1,4-Oxazepane-2,5-diones via Cyclization of Rotationally Restricted Amino Acid Precursors and Structural Reassignment of Serratin.","The Journal of organic chemistry","2017","82","12","6210","6222","10.1021/acs.joc.7b00790","","x-ray","1.54184","CuKα","","0.0617","0.0531","","","0.1487","0.1624","","","","","","1.044","","","","has coordinates,has disorder","200714","2020-10-21","18:00:00",""
"4032537","8.9751","0.0004","17.186","0.0007","21.3036","0.0008","90","","90","","90","","3286","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Br Cl3 F6 N2 O3 -","- C27 H34 Br Cl3 F6 N2 O3 -","- C108 H136 Br4 Cl12 F24 N8 O12 -","4","1","","Jin, Qiaowen; Zheng, Changwu; Zhao, Gang; Zou, Gang","Bifunctional Quaternary Ammonium Salts Catalyzed Stereoselective Conjugate Addition of Oxindoles to Electron-Deficient β-Haloalkenes.","The Journal of organic chemistry","2017","82","9","4840","4850","10.1021/acs.joc.7b00571","","","1.54178","CuKα","","0.0583","0.0514","","","0.1324","0.1387","","","","","","1.041","","","","has coordinates","197333","2020-10-21","18:00:00",""
"4032538","10.9526","0.0007","11.6626","0.001","29.56","0.002","90","","90","","90","","3775.9","0.5","102","3","102","3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","AKSIII_099","","- C15 H11 Br S -","- C15 H11 Br S -","- C180 H132 Br12 S12 -","12","3","","Simlandy, Amit Kumar; Mukherjee, Santanu","Catalytic Enantioselective Synthesis of 3,4-Unsubstituted Thiochromenes through Sulfa-Michael/Julia-Kocienski Olefination Cascade Reaction.","The Journal of organic chemistry","2017","82","9","4851","4858","10.1021/acs.joc.7b00579","","x-ray","0.71073","MoKα","","0.0842","0.0557","","","0.0797","0.0892","","","","","","0.998","","","","has coordinates","197334","2020-10-21","18:00:00",""
"4032542","7.57183","0.0001","14.7939","0.0002","16.2756","0.0003","90","","90","","90","","1823.14","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0468","0.0381","","","0.094","0.1002","","","","","","1.029","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032546","7.5464","0.0007","9.5617","0.001","25.693","0.002","90","","90","","90","","1853.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0676","0.0558","","","0.1415","0.1527","","","","","","1.062","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032550","10.859","0.003","12.13","0.003","18.229","0.005","90","","90","","90","","2401.1","1.1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O4 S -","- C28 H24 N2 O4 S -","- C112 H96 N8 O16 S4 -","4","1","","Man, Ning-Ning; Wang, Jia-Qi; Zhang, Li-Ming; Wen, Li-Rong; Li, Ming","Chemo-, Regio-, and Stereoselective Construction of Core Skeleton of Furo[2,3-b]pyrrole via Multicomponent Bicyclization Reaction.","The Journal of organic chemistry","2017","82","11","5566","5573","10.1021/acs.joc.7b00371","","","0.71073","MoKα","","0.0457","0.0424","","","0.0822","0.0838","","","","","","1.103","","","","has coordinates","197341","2020-10-21","18:00:00",""
"4032556","14.2252","0.0008","17.5063","0.0011","19.1686","0.0011","90","","90","","90","","4773.6","0.5","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl10 F N2 O2 Rh S -","- C40 H40 Cl10 F N2 O2 Rh S -","- C160 H160 Cl40 F4 N8 O8 Rh4 S4 -","4","1","","Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations.","The Journal of organic chemistry","2017","82","11","5607","5615","10.1021/acs.joc.7b00436","","","0.71073","MoKα","","0.0604","0.049","","","0.1332","0.1417","","","","","","1.03","","","","has coordinates,has disorder","197347","2020-10-21","18:00:00",""
"4032582","10.3646","0.0006","18.3605","0.001","25.0181","0.0015","90","","90","","90","","4760.9","0.5","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O4 -","- C24 H32 N2 O4 -","- C192 H256 N16 O32 -","8","2","","Seo, Min-Seob; Sun, Daeyoung; Kim, Hyunwoo","Stereoselective Chiral Recognition of Amino Alcohols with 2,2'-Dihydroxybenzil.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b00600","","","1.54178","CuKα","","0.0294","0.029","","","0.0755","0.076","","","","","","1.046","","","","has coordinates","197862","2020-10-21","18:00:00",""
"4032591","8.1071","0.0006","9.3064","0.0007","22.2481","0.0017","90","","90","","90","","1678.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F O2 -","- C20 H21 F O2 -","- C80 H84 F4 O8 -","4","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0483","0.0402","","","0.1101","0.1287","","","","","","1.104","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032602","8.0176","0.0009","10.8219","0.0013","15.3565","0.0018","90","","90","","90","","1332.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diol","Bislactone","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Datta, Ritabrata; Ghosh, Subrata","Total synthesis of the marine polyketide (-)-gracilioether F.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01179","","","0.71073","MoKα","","0.0388","0.0314","","","0.0686","0.0725","","","","","","1.046","","","","has coordinates","198265","2020-10-21","18:00:00",""
"4032604","8.082","0.001","12.55","0.002","13.607","0.002","90","","90","","90","","1380.1","0.3","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Lankri, David; Albarghouti, Ghassan; Mahameed, Mohamed; Tsvelikhovsky, Dmitry","Multifaceted α-Enaminone: Adaptable Building Block for Synthesis of Heterocyclic Scaffolds Through Conceptually Distinct 1,2-, 1,3-, 1,4-, and C-O Bond Forming Annulations.","The Journal of organic chemistry","2017","82","14","7101","7113","10.1021/acs.joc.7b00516","","","0.71073","MoKα","","0.042","0.0404","","","0.1006","0.1025","","","","","","1.051","","","","has coordinates","200695","2020-10-21","18:00:00",""
"4032629","5.8786","0.0008","15.347","0.002","17.938","0.002","90","","90","","90","","1618.3","0.4","294","1","294","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Br N O2 S -","- C14 H20 Br N O2 S -","- C56 H80 Br4 N4 O8 S4 -","4","1","","Lahosa, Alejandro; Soler, Tatiana; Arrieta, Ana; Cossio, Fernando P.; Foubelo, Francisco; Yus, Miguel","Stereoselective Coupling of N-tert-Butanesulfinyl Aldimines and β-Keto Acids: Access to β-Amino Ketones.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b01178","","","0.71073","MoKα","","0.0407","0.0284","","","0.0583","0.0611","","","","","","0.915","","","","has coordinates","198651","2020-10-21","18:00:00",""
"4032632","6.82057","0.00013","11.84181","0.00017","43.3692","0.0007","90","","90","","90","","3502.84","0.1","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H51 Cu F6 N3 O2 P -","- C32 H51 Cu F6 N3 O2 P -","- C128 H204 Cu4 F24 N12 O8 P4 -","4","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0414","0.0386","","","0.104","0.1063","","","","","","1.04","","","","has coordinates","200701","2020-10-21","18:00:00",""
"4032642","8.7997","0.0004","10.3121","0.0005","15.5615","0.0009","90","","90","","90","","1412.1","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Lu, Jia-Tian; Shi, Zi-Fa; Cao, Xiao-Ping","Total Synthesis of (-)-Chanoclavine I and an Oxygen-Substituted Ergoline Derivative.","The Journal of organic chemistry","2017","82","15","7774","7782","10.1021/acs.joc.7b00573","","","0.71073","MoKα","","0.095","0.0593","","","0.1082","0.1324","","","","","","1.099","","","","has coordinates","200702","2020-10-21","18:00:00",""
"4032648","7.3877","0.0001","7.8178","0.0001","19.8494","0.0002","90","","90","","90","","1146.41","0.02","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0303","0.0299","","0.0555","0.0553","0.0555","","","","","","0.999","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032649","7.4666","0.0002","12.0831","0.0005","10.8645","0.0004","90","","90","","90","","980.19","0.06","150","","150","","","","","","","","locsl","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.055","0.0471","","0.1082","0.1041","0.1082","","","","","","0.9946","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032651","6.26451","0.00004","12.09608","0.00009","20.26568","0.00014","90","","90","","90","","1535.65","0.018","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0249","0.0244","","0.0623","0.0618","0.0623","","","","","","1.0035","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032652","6.4307","0.0001","8.7685","0.0001","26.1929","0.0002","90","","90","","90","","1476.95","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0249","0.0243","","0.0626","0.0621","0.0626","","","","","","1.004","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032654","25.6494","0.0007","14.1949","0.0004","6.2343","0.0002","90","","90","","90","","2269.85","0.12","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O4 Si -","- C22 H36 O4 Si -","- C88 H144 O16 Si4 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0506","0.0448","","0.1019","0.0997","0.1019","","","","","","1.039","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032655","19.9195","0.0006","11.6626","0.0003","8.7386","0.0002","90","","90","","90","","2030.09","0.09","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0451","0.0407","","0.1007","0.0984","0.1007","","","","","","1.0325","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032656","8.9344","0.0002","15.4099","0.0003","14.9268","0.0003","90","","90","","90","","2055.1","0.07","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0461","0.0423","","0.1117","0.1097","0.1117","","","","","","1.0364","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032657","7.3238","0.0001","7.5553","0.0001","14.5389","0.0002","90","","90","","90","","804.488","0.019","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0229","0.0226","","0.0568","0.0565","0.0568","","","","","","0.9982","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032659","8.2335","0.00007","8.68949","0.00008","23.6396","0.0002","90","","90","","90","","1691.29","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C72 H96 O24 -","8","2","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0405","0.0395","","0.1123","0.1113","0.1123","","","","","","1.0111","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032661","7.27015","0.00005","11.05109","0.00008","13.78627","0.00009","90","","90","","90","","1107.63","0.013","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0224","0.0221","","0.0572","0.057","0.0572","","","","","","1.006","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032664","7.8054","0.0001","9.792","0.0001","11.058","0.0001","90","","90","","90","","845.168","0.016","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0228","0.0223","","0.0566","0.0562","0.0566","","","","","","1.0076","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032669","10.5559","0.0004","10.8496","0.0005","21.9254","0.0008","90","","90","","90","","2511.06","0.18","295.8","0.4","295.8","0.4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Br F3 N O6 -","- C22 H25 Br F3 N O6 -","- C88 H100 Br4 F12 N4 O24 -","4","1","","Dong, Zhenghao; Zhu, Yuanyuan; Li, Boyu; Wang, Cui; Yan, Wenjin; Wang, Kairong; Wang, Rui","Asymmetric Synthesis of α-Trifluoromethyl Pyrrolidines through Organocatalyzed 1,3-Dipolar Cycloaddition Reaction.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.6b02949","","","0.7107","MoKα","","0.0899","0.05","","","0.0892","0.1067","","","","","","1.055","","","","has coordinates","198978","2020-10-21","18:00:00",""
"4032695","14.3345","0.0008","21.1548","0.0012","34.813","0.002","90","","90","","90","","10556.8","1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50.5 H51 Cl F6 N4 P Rh S2 -","- C50.5 H51 Cl F6 N4 P Rh S2 -","- C404 H408 Cl8 F48 N32 P8 Rh8 S16 -","8","2","","Luo, Shipeng; Zhang, Xiao; Zheng, Yu; Harms, Klaus; Zhang, Lilu; Meggers, Eric","Enantioselective Alkynylation of Aromatic Aldehydes Catalyzed by a Sterically Highly Demanding Chiral-at-Rhodium Lewis Acid.","The Journal of organic chemistry","2017","82","17","8995","9005","10.1021/acs.joc.7b01394","","","0.71073","MoKα","","0.1014","0.0652","","","0.126","0.1376","","","","","","1.026","","","","has coordinates,has disorder","200278","2020-10-21","18:00:00",""
"4032696","11.0301","0.0001","17.6976","0.0003","19.2949","0.0003","90","","90","","90","","3766.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H58 O13 -","- C41 H58 O13 -","- C164 H232 O52 -","4","1","","Yahata, Kenzo; Ye, Ning; Iso, Kentaro; Naini, Santhosh Reddy; Yamashita, Shuji; Ai, Yanran; Kishi, Yoshito","Unified Synthesis of Right Halves of Halichondrins A-C.","The Journal of organic chemistry","2017","82","17","8792","8807","10.1021/acs.joc.7b01283","","","1.54178","CuKα","","0.0396","0.0384","","","0.1012","0.1018","","","","","","1.038","","","","has coordinates,has disorder","200279","2020-10-21","18:00:00",""
"4032697","7.4257","0.0008","7.4764","0.0008","23.433","0.002","90","","90","","90","","1300.9","0.2","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Nakazaki, Atsuo; Hashimoto, Keiko; Ikeda, Ai; Shibata, Takahiro; Nishikawa, Toshio","De Novo Synthesis of Possible Candidates for the Inagami-Tamura Endogenous Digitalis-like Factor.","The Journal of organic chemistry","2017","82","17","9097","9111","10.1021/acs.joc.7b01640","","","1.54187","CuKα","","0.0558","0.0528","","","0.1371","0.1404","","","","","","1.082","","","","has coordinates","200280","2020-10-21","18:00:00",""
"4032698","5.8858","0.0004","13.567","0.001","15.5282","0.0011","90","","90","","90","","1239.97","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.","The Journal of organic chemistry","2017","82","17","9210","9216","10.1021/acs.joc.7b01501","","","0.71073","MoKα","","0.0449","0.0348","","","0.0855","0.0923","","","","","","0.988","","","","has coordinates","200281","2020-10-21","18:00:00",""
"4032702","8.059","0.0001","9.22611","0.00012","13.21005","0.00017","90","","90","","90","","982.21","0.02","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C36 H60 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.0272","0.0261","","","0.0678","0.0685","","","","","","1.076","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032703","7.4091","0.0005","7.9981","0.0005","15.5815","0.0009","90","","90","","90","","923.34","0.1","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.041","0.0374","","","0.0981","0.1018","","","","","","1.06","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032705","6.3961","0.0004","8.4683","0.0007","21.9193","0.0013","90","","90","","90","","1187.24","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 F N O3 -","- C13 H12 F N O3 -","- C52 H48 F4 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","","0.71073","MoKα","","0.1557","0.0523","","","0.0983","0.1255","","","","","","0.826","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032736","11.2475","0.0008","11.963","0.0009","23.4408","0.0017","90","","90","","90","","3154","0.4","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Cl N2 O8 -","- C34 H33 Cl N2 O8 -","- C136 H132 Cl4 N8 O32 -","4","1","","Feng, Junjun; Li, Xin","Enantioselective Vinylogous Michael-Michael Cascade Reactions of 3-Alkylidene Oxindoles and Nitroolefin Enoates.","The Journal of organic chemistry","2017","82","14","7317","7323","10.1021/acs.joc.7b00938","","","0.71073","MoKα","","0.0286","0.0257","","","0.0661","0.0673","","","","","","1.048","","","","has coordinates","200316","2020-10-21","18:00:00",""
"4032739","10.7863","0.0003","11.9749","0.0003","15.8854","0.0004","90","","90","","90","","2051.84","0.09","103.2","","103.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O5 -","- C20 H21 Br N2 O5 -","- C80 H84 Br4 N8 O20 -","4","1","","Ma, Hongli; Xie, Lei; Zhang, Zhenhua; Wu, Lin-Gang; Fu, Bin; Qin, Zhaohai","Enantioselective Conjugate Addition of 2-Acetyl Azaarenes to β,β-Disubstituted Nitroalkene for the Construction of All-Carbon Quaternary Stereocenters.","The Journal of organic chemistry","2017","82","14","7353","7362","10.1021/acs.joc.7b01014","","","1.5418","CuKα","","0.0323","0.0317","","","0.0809","0.0813","","","","","","1.119","","","","has coordinates","200319","2020-10-21","18:00:00",""
"4032759","5.7218","0.0008","5.9498","0.0008","42.706","0.006","90","","90","","90","","1453.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Balha, Megha; Mondal, Buddhadeb; Sahoo, Subas Chandra; Pan, Subhas Chandra","Organocatalytic Asymmetric Michael-Hemiacetalization Reaction Between 2-Hydroxyacetophenones and Enals: A Route to Chiral β,γ-Disubstituted γ-Butyrolactones.","The Journal of organic chemistry","2017","82","12","6409","6416","10.1021/acs.joc.7b00363","","","0.71073","MoKα","","0.0494","0.0316","","","0.0762","0.0973","","","","","","1.067","","","","has coordinates","200339","2020-10-21","18:00:00",""
"4032760","5.943","0.0002","14.5054","0.0006","25.4785","0.0011","90","","90","","90","","2196.39","0.15","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N6 -","- C26 H30 N6 -","- C104 H120 N24 -","4","1","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.1382","0.0836","","","0.1263","0.1445","","","","","","1.13","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032773","6.61954","0.00008","13.75433","0.00017","16.9835","0.0002","90","","90","","90","","1546.3","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Houlsby, Ian T. T.; Roberts, Paul M.; Thomson, James E.","Structural Revision of the Hancock Alkaloid (-)-Galipeine.","The Journal of organic chemistry","2017","82","19","10673","10679","10.1021/acs.joc.7b01720","","","1.54184","CuKα","","0.0308","0.0305","","0.0781","0.0777","0.0781","","","","","","1.0246","","","","has coordinates","202699","2020-10-21","18:00:00",""
"4032778","10.2367","0.0004","10.4404","0.0004","21.1129","0.0007","90","","90","","90","","2256.45","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F3 N O4 -","- C26 H24 F3 N O4 -","- C104 H96 F12 N4 O16 -","4","1","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0259","0.0249","","","0.0612","0.0618","","","","","","1.067","","","","has coordinates","202688","2020-10-21","18:00:00",""
"4032780","9.0437","0.0002","13.1451","0.0003","15.6669","0.0004","90","","90","","90","","1862.49","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F3 N2 O6 -","- C18 H19 F3 N2 O6 -","- C72 H76 F12 N8 O24 -","4","1","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0299","0.0278","","","0.064","0.0656","","","","","","0.958","","","","has coordinates,has disorder","202688","2020-10-21","18:00:00",""
"4032787","4.8424","0.0002","9.2176","0.0004","27.531","0.0011","90","","90","","90","","1228.85","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 F3 N3 O3 -","- C12 H8 F3 N3 O3 -","- C48 H32 F12 N12 O12 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0396","0.0333","","","0.0739","0.0767","","","","","","1.069","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032804","3.9074","0.0001","12.9574","0.0005","18.5066","0.0007","90","","90","","90","","936.98","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0397","0.0384","","","0.1072","0.1082","","","","","","1.084","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032852","5.7347","0.00007","12.45975","0.00015","20.4676","0.0003","90","","90","","90","","1462.47","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 F3 N O3 -","- C15 H18 F3 N O3 -","- C60 H72 F12 N4 O12 -","4","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0376","0.0369","","","0.0979","0.0989","","","","","","1.063","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032855","9.5853","0.00014","10.83863","0.00013","20.3107","0.0002","90","","90","","90","","2110.11","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 F3 N2 O -","- C25 H25 F3 N2 O -","- C100 H100 F12 N8 O4 -","4","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0523","0.0449","","","0.1081","0.1155","","","","","","1.047","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032862","8.981","0.0006","9.1535","0.0005","20.8614","0.0014","90","","90","","90","","1714.97","0.19","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br F N O3 S -","- C17 H15 Br F N O3 S -","- C68 H60 Br4 F4 N4 O12 S4 -","4","1","","Chen, Jiteng; Zhao, Xiaoming; Dan, Wenyan","Diasteroselective and Enantioselective Ir-Catalyzed Allylic Substitutions of 1-Substituted 1-Fluoro-1-(arenesulfonyl)methylene Derivatives.","The Journal of organic chemistry","2017","82","19","10693","10698","10.1021/acs.joc.7b01782","","","0.71073","MoKα","","0.0435","0.0344","","","0.0878","0.0939","","","","","","1.035","","","","has coordinates","202701","2020-10-21","18:00:00",""
"4032863","8.5286","0.0004","10.1752","0.0004","21.0585","0.0007","90","","90","","90","","1827.46","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br F O4 S -","- C18 H16 Br F O4 S -","- C72 H64 Br4 F4 O16 S4 -","4","1","","Chen, Jiteng; Zhao, Xiaoming; Dan, Wenyan","Diasteroselective and Enantioselective Ir-Catalyzed Allylic Substitutions of 1-Substituted 1-Fluoro-1-(arenesulfonyl)methylene Derivatives.","The Journal of organic chemistry","2017","82","19","10693","10698","10.1021/acs.joc.7b01782","","","0.71073","MoKα","","0.037","0.0289","","","0.0616","0.064","","","","","","1.061","","","","has coordinates","202701","2020-10-21","18:00:00",""
"4032866","9.1169","0.0019","10.066","0.002","13.129","0.003","90","","90","","90","","1204.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1'S,2'R,3'S,4'R)-3'-bromo-2',4'-dihydroxy-3',4'-dihydro-2'H,3H-spiro[furan-2,1'-naphthalen]-5(4H)-one","","","- C13 H13 Br O4 -","- C13 H13 Br O4 -","- C52 H52 Br4 O16 -","4","1","","Uyanik, Muhammet; Yasui, Takeshi; Ishihara, Kazuaki","Chiral Hypervalent Organoiodine-Catalyzed Enantioselective Oxidative Spirolactonization of Naphthol Derivatives.","The Journal of organic chemistry","2017","82","22","11946","11953","10.1021/acs.joc.7b01941","","","0.71073","MoKα","","0.0199","0.019","","","0.0456","0.0458","","","","","","1.02","","","","has coordinates","204822","2020-10-21","18:00:00",""
"4032872","5.14336","0.00016","16.7956","0.0005","18.7002","0.0006","90","","90","","90","","1615.43","0.09","110","2","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C60 H92 N12 O12 -","4","1","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","","1.5418","CuKα","","0.0393","0.0352","","","0.0871","0.0905","","","","","","1.039","","","","has coordinates","202697","2020-10-21","18:00:00",""
"4032874","9.787","0.005","12.007","0.005","27.226","0.005","90","","90","","90","","3199","2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C96 H200 N24 O24 -","8","2","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","","1.5418","CuKα","","0.0402","0.0383","","","0.0965","0.0986","","","","","","1.0606","","","","has coordinates,has disorder","278046","2022-09-21","15:45:40",""
"4032880","5.7218","0.0005","14.0188","0.0012","24.109","0.002","90","","90","","90","","1933.8","0.3","273.15","","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C104 H80 O12 -","4","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54178","CuKα","","0.0297","0.0294","","","0.0778","0.078","","","","","","1.103","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032889","7.40246","0.00019","7.5881","0.0002","21.4216","0.0005","90","","90","","90","","1203.26","0.05","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cl N S2 -","- C12 H10 Cl N S2 -","- C48 H40 Cl4 N4 S8 -","4","1","","Belot, Vincent; Farran, Daniel; Jean, Marion; Albalat, Muriel; Vanthuyne, Nicolas; Roussel, Christian","Steric Scale of Common Substituents from Rotational Barriers of N-(o-Substituted aryl)thiazoline-2-thione Atropisomers.","The Journal of organic chemistry","2017","82","19","10188","10200","10.1021/acs.joc.7b01698","","x-ray","1.54184","CuKα","","0.0237","0.0234","","","0.0644","0.0647","","","","","","1.078","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4032895","5.5974","0.0004","19.0054","0.001","17.2544","0.001","90","","90","","90","","1835.54","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.0703","0.0514","","","0.1076","0.1192","","","","","","1.037","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032899","5.608","0.002","8.703","0.003","20.091","0.007","90","","90","","90","","980.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","","Meng, Fei; Zhang, Honglin; Guo, Kang; Dong, Jiayue; Lu, Ai-Min; Zhu, Yingguang","Access to Cyano-Containing Isoxazolines via Copper-Catalyzed Domino Cyclization/Cyanation of Alkenyl Oximes.","The Journal of organic chemistry","2017","82","19","10742","10747","10.1021/acs.joc.7b02133","","","0.71073","MoKα","","0.0893","0.0481","","","0.099","0.1129","","","","","","1.043","","","","has coordinates","202693","2020-10-21","18:00:00",""
"4032906","6.7402","0.0002","11.5964","0.0002","24.9844","0.0006","90","","90","","90","","1952.83","0.08","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F3 N2 O3 -","- C19 H25 F3 N2 O3 -","- C76 H100 F12 N8 O12 -","4","1","","Li, Yifei; Jackson, Kelvin E.; Charlton, Andrew; Le Neve-Foster, Ben; Khurshid, Asma; Rudy, Heinrich-K A; Thompson, Amber L.; Paton, Robert S.; Hodgson, David M.","Asymmetric Induction in C-Alkylation of Tropane-Derived Enamines: Congruence Between Computation and Experiment.","The Journal of organic chemistry","2017","82","19","10479","10488","10.1021/acs.joc.7b01954","","","1.5418","CuKα","","0.0488","0.0465","","0.1275","0.1244","0.1275","","","","","","0.9953","","","","has coordinates,has disorder","202691","2020-10-21","18:00:00",""
"4032917","8.696","0.014","9.78","0.015","20.51","0.03","90","","90","","90","","1744","5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C64 H100 N4 O12 S4 -","4","1","","Li, Chun-Tian; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Aldol Reaction of N-tert-Butanesulfinyl Imidates under Basic Conditions for Diastereoselective Synthesis of anti-Aldols.","The Journal of organic chemistry","2017","82","20","11253","11261","10.1021/acs.joc.7b01982","","","0.71073","MoKα","","0.1142","0.0507","","","0.0919","0.1109","","","","","","0.923","","","","has coordinates","202732","2020-10-21","18:00:00",""
"4032927","8.365","0.0003","14.5526","0.0005","15.0103","0.0004","90","","90","","90","","1827.24","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C88 H88 O12 S4 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0327","0.0309","","","0.073","0.0742","","","","","","1.037","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032937","5.7562","0.0007","11.7478","0.0014","27.37","0.003","90","","90","","90","","1850.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl F N2 O4 -","- C19 H18 Cl F N2 O4 -","- C76 H72 Cl4 F4 N8 O16 -","4","1","","Liu, Yang-Zi; Shang, Shao-Jing; Yang, Wu-Lin; Luo, Xiaoyan; Deng, Wei-Ping","Stereoselective Synthesis of Pyrrolidines Containing a 3-Fluoro Quaternary Stereocenter via Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition.","The Journal of organic chemistry","2017","82","20","11141","11149","10.1021/acs.joc.7b02142","","","0.71073","MoKα","","0.0623","0.0566","","","0.1335","0.1367","","","","","","1.177","","","","has coordinates","202733","2020-10-21","18:00:00",""
"4032973","6.3872","0.0005","13.6568","0.0009","18.5349","0.0012","90","","90","","90","","1616.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O2 Si -","- C16 H26 O2 Si -","- C64 H104 O8 Si4 -","4","1","","Pantin, Mathilde; Hubert, Jonathan G.; Söhnel, Tilo; Brimble, Margaret A.; Furkert, Daniel P.","Stereochemical Characterization of Polyketide Stereotriads Synthesized via Hydrogen-Mediated Asymmetric syn-Crotylation.","The Journal of organic chemistry","2017","82","20","11225","11229","10.1021/acs.joc.7b01820","","x-ray","0.71073","MoKα","","0.0821","0.0462","","","0.0819","0.0916","","","","","","0.982","","","","has coordinates","202717","2020-10-21","18:00:00",""
"4033008","6.8573","0.0006","11.8742","0.001","19.7672","0.0019","90","","90","","90","","1609.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Selective Synthesis of 3-Arylbenzo-1,2,3-triazin-4(3H)-ones and 1-Aryl-(1H)-benzo-1,2,3-triazoles from 1,3-Diaryltriazenes through Pd(0) Catalyzed Annulation Reactions.","The Journal of organic chemistry","2017","82","21","11487","11493","10.1021/acs.joc.7b02023","","","0.71073","MoKα","","0.0657","0.0415","","","0.0867","0.0995","","","","","","1.043","","","","has coordinates,has disorder","202750","2020-10-21","18:00:00",""
"4033010","5.5783","0.0006","25.05","0.003","25.622","0.003","90","","90","","90","","3580.3","0.7","99","2","99","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 N3 O10 -","- C40 H31 N3 O10 -","- C160 H124 N12 O40 -","4","1","","Neralkar, Mahesh; Mishra, Bijoyananda; Hotha, Srinivas","Nucleofuge Generating Glycosidations by the Remote Activation of Hydroxybenzotriazolyl Glycosides.","The Journal of organic chemistry","2017","82","21","11494","11504","10.1021/acs.joc.7b02027","","","0.71073","MoKα","","0.1757","0.0782","","","0.1851","0.2318","","","","","","1.122","","","","has coordinates","202742","2020-10-21","18:00:00",""
"4033012","7.341","","10.055","","21.981","","90","","90","","90","","1622.5","","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O9 -","- C17 H18 O9 -","- C68 H72 O36 -","4","1","","Padiyar, Laxmansingh T.; Zulueta, Medel Manuel L.; Sabbavarapu, Narayana Murthy; Hung, Shang-Cheng","Yb(OTf)3-Catalyzed Desymmetrization of myo-Inositol 1,3,5-Orthoformate and Its Application in the Synthesis of Chiral Inositol Phosphates.","The Journal of organic chemistry","2017","82","21","11418","11430","10.1021/acs.joc.7b01919","","","0.71073","MoKα","","0.0458","0.0362","","","0.0714","0.0766","","","","","","1.04","","","","has coordinates","202754","2020-10-21","18:00:00",""
"4033026","10.2112","0.0002","17.8559","0.0005","21.0675","0.0004","90","","90","","90","","3841.24","0.15","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 F3 N O4 P -","- C17 H23 F3 N O4 P -","- C136 H184 F24 N8 O32 P8 -","8","2","","Wu, Wanqing; Lin, Zhiming; Zhu, Chuanle; Chen, Pengquan; Li, Jiawei; Jiang, Huanfeng","Transition-Metal-Free [3+2] Cycloaddition of Dehydroaminophosphonates and N-Tosylhydrazones: Access to Aminocyclopropanephosphonates with Adjacent Quaternary-Tetrasubstituted Carbon Centers.","The Journal of organic chemistry","2017","82","23","12746","12756","10.1021/acs.joc.7b01862","","x-ray","1.54184","CuKα","","0.041","0.0394","","","0.1051","0.1071","","","","","","1.006","","","","has coordinates","204863","2020-10-21","18:00:00",""
"4033031","5.0548","0.0007","8.0834","0.001","37.866","0.005","90","","90","","90","","1547.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 I N2 O3 -","- C17 H13 I N2 O3 -","- C68 H52 I4 N8 O12 -","4","1","","Chai, Guo-Li; Han, Jian-Wei; Wong, Henry N. C.","Asymmetric Darzens Reaction of Isatins with Diazoacetamides Catalyzed by Chiral BINOL-Titanium Complex.","The Journal of organic chemistry","2017","82","23","12647","12654","10.1021/acs.joc.7b02439","","","0.71073","MoKα","","0.0392","0.0363","","","0.0828","0.0841","","","","","","1.121","","","","has coordinates","204870","2020-10-21","18:00:00",""
"4033034","7.59159","0.00019","20.3087","0.0003","21.5684","0.0004","90","","90","","90","","3325.32","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H46 N2 O5 -","- C35 H46 N2 O5 -","- C140 H184 N8 O20 -","4","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Fowler, Thomas R.; Kennedy, Matthew S.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of 3-Deoxy-3-aminosphingoid Bases: Approaches Based on Parallel Kinetic Resolution and Double Asymmetric Induction.","The Journal of organic chemistry","2017","82","23","12447","12466","10.1021/acs.joc.7b02233","","","1.5418","CuKα","","0.0657","0.0631","","0.1824","0.1771","0.1822","","","","","","0.9538","","","","has coordinates","204841","2020-10-21","18:00:00",""
"4033038","5.7278","0.0006","17.5633","0.0019","21.791","0.002","90","","90","","90","","2192.2","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N0 O2 P -","- C23 H31 O2 P -","- C92 H124 O8 P4 -","4","1","","Liu, Li-Juan; Wang, Wei-Min; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Xu, Hao; Xu, Zhong-Yuan; Li, Qiang; Zhao, Chang-Qiu; Han, Li-Biao","Reinvestigation of the Substitutions Reaction of Stereogenic Phosphoryl Compounds: Stereochemistry, Mechanism, and Applications.","The Journal of organic chemistry","2017","82","23","11990","12002","10.1021/acs.joc.7b01326","","","0.71073","MoKα","","0.1436","0.0522","","","0.1184","0.1655","","","","","","0.669","","","","has coordinates","204849","2020-10-21","18:00:00",""
"4033051","8.366","0.003","10.586","0.004","18.446","0.006","90","","90","","90","","1633.6","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.2447","0.0667","","","0.1175","0.1674","","","","","","0.809","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033054","6.143","0.003","9.618","0.003","55.166","0.013","90","","90","","90","","3259","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 F N O -","- C20 H20 F N O -","- C160 H160 F8 N8 O8 -","8","2","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.1855","0.0755","","","0.1376","0.1854","","","","","","0.796","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033067","5.631","0.001","7.857","0.002","41.046","0.008","90","","90","","90","","1816","0.7","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O -","- C24 H26 O -","- C96 H104 O4 -","4","1","","Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry","Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors.","The Journal of organic chemistry","2017","82","18","9452","9463","10.1021/acs.joc.7b01481","","","0.71073","MoKα","","0.0718","0.0654","","","0.1488","0.1528","","","","","","1.167","","","","has coordinates","202617","2020-10-21","18:00:00",""
"4033073","9.4863","0.0002","11.1115","0.0003","38.056","0.0011","90","","90","","90","","4011.37","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H45 N3 O6 S -","- C45 H45 N3 O6 S -","- C180 H180 N12 O24 S4 -","4","1","","Vishwanatha, Thimmalapura M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cysteine Isocyanide in Multicomponent Reaction: Synthesis of Peptido-Mimetic 1,3-Azoles.","The Journal of organic chemistry","2017","82","18","9585","9594","10.1021/acs.joc.7b01615","","","1.54184","CuKα","","0.0639","0.0575","","","0.1524","0.1596","","","","","","1.055","","","","has coordinates","202622","2020-10-21","18:00:00",""
"4033092","5.58762","0.00007","8.03454","0.00008","25.9706","0.0003","90","","90","","90","","1165.92","0.02","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","","Yu, Yue; Chen, Yang; Huang, Wei; Wu, Wanqing; Jiang, Huanfeng","One-Pot Synthesis of Spirocyclic or Fused Pyrazoles from Cyclic Ketones: Calcium Carbide as the Carbon Source in Ring Expansion.","The Journal of organic chemistry","2017","82","18","9479","9486","10.1021/acs.joc.7b01496","","x-ray","1.54184","CuKα","","0.0305","0.0293","","","0.0741","0.075","","","","","","1.084","","","","has coordinates","202629","2020-10-21","18:00:00",""
"4033093","5.751","0.0002","8.5852","0.0004","41.6195","0.0017","90","","90","","90","","2054.9","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 O P -","- C23 H31 O P -","- C92 H124 O4 P4 -","4","1","","Nie, Shao-Zhen; Zhou, Zhong-Yang; Wang, Ji-Ping; Yan, Hui; Wen, Jing-Hong; Ye, Jing-Jing; Cui, Yun-Yao; Zhao, Chang-Qiu","Nonepimerizing Alkylation of H-P Species to Stereospecifically Generate P-Stereogenic Phosphine Oxides: A Shortcut to Bidentate Tertiary Phosphine Ligands.","The Journal of organic chemistry","2017","82","18","9425","9434","10.1021/acs.joc.7b01413","","","1.54184","CuKα","","0.0466","0.0434","","","0.1019","0.1036","","","","","","1.138","","","","has coordinates","202630","2020-10-21","18:00:00",""
"4033115","6.201","0.003","14.303","0.005","15.463","0.007","90","","90","","90","","1371.5","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 B N O2 -","- C16 H14 B N O2 -","- C64 H56 B4 N4 O8 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.1119","0.0603","","","0.1448","0.1708","","","","","","0.948","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033127","7.2342","0.0002","7.6993","0.0002","34.2572","0.0007","90","","90","","90","","1908.07","0.08","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Cl N2 O6 -","- C21 H15 Cl N2 O6 -","- C84 H60 Cl4 N8 O24 -","4","1","","Wang, Zhi-Peng; Li, Zi-Rui; Wu, Qi; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Enantioselective Synthesis of Alkylthioetherpyrrolidine Derivatives via [3+2] Cycloaddition of α-Thioacrylates with Isocyanoacetates.","The Journal of organic chemistry","2017","82","23","12869","12876","10.1021/acs.joc.7b02266","","","0.71073","MoKα","","0.0614","0.0457","","","0.091","0.0965","","","","","","1.091","","","","has coordinates","204829","2020-10-21","18:00:00",""
"4033137","5.1885","0.0012","8.975","0.002","25.944","0.006","90","","90","","90","","1208.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0484","0.0405","","","0.0901","0.0952","","","","","","1.025","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033143","6.5878","0.0008","12.8623","0.0015","16.408","0.002","90","","90","","90","","1390.3","0.3","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Cl O3 -","- C14 H21 Cl O3 -","- C56 H84 Cl4 O12 -","4","1","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.0271","0.0252","","","0.0607","0.0618","","","","","","1.042","","","","has coordinates","203193","2020-10-21","18:00:00",""
"4033144","8.5769","0.0012","13.3823","0.0018","15.729","0.002","90","","90","","90","","1805.4","0.4","88","2","88","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.036","0.0326","","","0.0773","0.0797","","","","","","1.034","","","","has coordinates","203194","2020-10-21","18:00:00",""
"4033145","15.0629","0.0016","17.1594","0.0018","18.0137","0.0019","90","","90","","90","","4656","0.9","88","2","88","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N2 O3 S -","- C23 H33 N2 O3 S -","- C184 H264 N16 O24 S8 -","8","2","","Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02458","","","0.71073","MoKα","","0.0608","0.0525","","","0.1412","0.1478","","","","","","1.033","","","","has coordinates","203195","2020-10-21","18:00:00",""
"4033148","7.9922","0.0008","11.5964","0.0012","21.983","0.002","90","","90","","90","","2037.4","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O3 S2 -","- C22 H19 N O3 S2 -","- C88 H76 N4 O12 S8 -","4","1","","Fukata, Yukihiro; Yao, Koichi; Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric Net Cycloaddition for Access to Diverse Substituted 1,5-Benzothiazepines.","The Journal of organic chemistry","2017","82","23","12655","12668","10.1021/acs.joc.7b02451","","","0.71075","MoKα","","","0.0439","","","","0.1008","","","","","","1.058","","","","has coordinates","204832","2020-10-21","18:00:00",""
"4033187","12.2875","0.0006","17.5098","0.0008","33.0426","0.0018","90","","90","","90","","7109.2","0.6","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'compound [RhCl(2a)]2'","","- C41 H38 Cl4 Rh2 -","- C41 H38 Cl4 Rh2 -","- C328 H304 Cl32 Rh16 -","8","2","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","0.71073","MoKα","","0.0638","0.0411","","","0.0754","0.0804","","","","","","1.008","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033191","8.1392","0.0005","12.5325","0.0008","17.0339","0.0012","90","","90","","90","","1737.5","0.2","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B N3 -","- C20 H22 B N3 -","- C80 H88 B4 N12 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.1102","0.0553","","","0.132","0.155","","","","","","1.091","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033192","6.97","0.002","7.005","0.002","34.186","0.011","90","","90","","90","","1669.1","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","1","","Roizen, Jennifer L.; Jones, Amanda C.; Smith, Russell C.; Virgil, Scott C.; Stoltz, Brian M.","Model Studies To Access the [6,7,5,5]-Core of Ineleganolide Using Tandem Translactonization-Cope or Cyclopropanation-Cope Rearrangements as Key Steps.","The Journal of organic chemistry","2017","82","24","13051","13067","10.1021/acs.joc.7b02030","","","0.71073","MoKα","","0.1046","0.0694","","","0.1073","0.1141","","","","","","1.298","","","","has coordinates","204795","2020-10-21","18:00:00",""
"4033207","6.9803","0.0008","14.8048","0.0016","14.8173","0.0017","90","","90","","90","","1531.2","0.3","128","2","128","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl N O5 -","- C18 H12 Cl N O5 -","- C72 H48 Cl4 N4 O20 -","4","1","","Zhang, Jing; Yin, Guohui; Du, Yuchao; Yang, Ziqi; Li, Yang; Chen, Ligong","Michael-Michael Addition Reactions Promoted by Secondary Amine-Thiourea: Stereocontrolled Construction of Barbiturate-Fused Tetrahydropyrano Scaffolds and Pyranocoumarins.","The Journal of organic chemistry","2017","82","24","13594","13601","10.1021/acs.joc.7b01902","","","0.71073","MoKα","","0.0232","0.0227","","","0.0618","0.062","","","","","","1.043","","","","has coordinates","204803","2020-10-21","18:00:00",""
"4033240","9.4154","0.0008","12.766","0.0012","13.1363","0.0012","90","","90","","90","","1578.9","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C56 H84 N4 O8 S4 -","4","1","","Reddy, Arava Amaranadha; Prasad, Kavirayani R.","Synthesis of β-Amino Ketones by Addition of Aryl Methyl Ketones to Sulfinimines: Application to the Total Synthesis of HPA-12, Norsedamine, and Sedamine.","The Journal of organic chemistry","2017","82","24","13488","13499","10.1021/acs.joc.7b02611","","","0.71073","MoKα","","0.0475","0.0355","","","0.0818","0.087","","","","","","1.07","","","","has coordinates","204813","2020-10-21","18:00:00",""
"4033274","7.6666","0.00001","11.5376","0.00011","14.24527","0.00016","90","","90","","90","","1260.05","0.019","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R) N-methyl-3-(4-cyanophenoxy)piperidine","4-((1-methylpiperidin-3-yl)oxy)benzonitrile","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C52 H64 N8 O4 -","4","1","","Aricò, Fabio; Aldoshin, Alexander S.; Musolino, Manuele; Crisma, Marco; Tundo, Pietro","β-Aminocarbonates in regioselective and ring expansion reactions.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02609","","","1.54178","CuKα","","0.0369","0.0362","","","0.1047","0.1061","","","","","","1.001","","","","has coordinates","204197","2020-10-21","18:00:00",""
"4033277","8.2569","0.0003","9.8339","0.00016","37.9262","0.0011","90","","90","","90","","3079.51","0.15","109.2","","109.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 O9 -","- C32 H44 O9 -","- C128 H176 O36 -","4","1","","Mai, Zhen-Peng; Ni, Gang; Liu, Yan-Fei; Li, Yu-Huan; Li, Li; Li, Jia-Yuan; Yu, De-Quan","Secoheliosphanes A and B and secoheliospholane A, three diterpenoids with unusual seco-jatrophane and seco-jatropholane skeletons from Euphorbia helioscopia.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02558","","","1.5418","CuKα","","0.0478","0.045","","","0.1213","0.1244","","","","","","1.056","","","","has coordinates","204223","2020-10-21","18:00:00",""
"4033278","8.37266","0.00019","12.3721","0.0003","28.5539","0.0007","90","","90","","90","","2957.82","0.12","103.5","","103.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O10 -","- C31 H40 O10 -","- C124 H160 O40 -","4","1","","Mai, Zhen-Peng; Ni, Gang; Liu, Yan-Fei; Li, Yu-Huan; Li, Li; Li, Jia-Yuan; Yu, De-Quan","Secoheliosphanes A and B and secoheliospholane A, three diterpenoids with unusual seco-jatrophane and seco-jatropholane skeletons from Euphorbia helioscopia.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02558","","","1.5418","CuKα","","0.0405","0.0378","","","0.0918","0.0944","","","","","","1.027","","","","has coordinates","204224","2020-10-21","18:00:00",""
"4033293","5.04","0.004","15.346","0.012","20.856","0.016","90","","90","","90","","1613","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C76 H76 N4 O20 -","4","1","","Markad, Shivaji B.; Argade, Narshinha P.","Solid State Auto Inversion of C-Centrochirality: Enantioselective Total Synthesis of Furocarbazolones (-)-epi-Claulansine D and (-)-Claulansine D and, Pyranocarbazolone (+)-epi-Claulansine C.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02773","","","0.71073","MoKα","","0.3228","0.1026","","","0.1577","0.2271","","","","","","0.932","","","","has coordinates","204496","2020-10-21","18:00:00",""
"4033301","10.4345","0.0009","17.0184","0.0014","17.4029","0.0015","90","","90","","90","","3090.4","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 Cl2 N4 O4 P -","- C28 H39 Cl2 N4 O4 P -","- C112 H156 Cl8 N16 O16 P4 -","4","1","","Zhang, Haowei; Yang, Zhen; Zhao, Brian Nlong; Li, Guigen","Group-Assisted Purification (GAP) chemistry for Asymmetric Mannich-type reaction of chiral N-phosphonyl imines with azlactones leading to syntheses of α-quaternary α, β-diamino acid derivatives.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02556","","","0.71073","MoKα","","0.1203","0.0531","","","0.0654","0.0739","","","","","","1.017","","","","has coordinates","204611","2020-10-21","18:00:00",""
"4033303","12.0215","0.0004","13.0351","0.0005","29.9074","0.0011","90","","90","","90","","4686.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O4 -","- C27 H33 N O4 -","- C216 H264 N8 O32 -","8","2","","Zhou, Xin; Wang, Peng; Zhang, Li; Chen, Pengwei; Ma, Mingxu; Song, Ni; Ren, Sumei; Li, Ming","Transition-Metal-Free Synthesis of C-Glycosylated Phenanthridines via K<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Mediated Oxidative Radical Decarboxylation of Uronic Acids.","The Journal of organic chemistry","2018","83","2","588","603","10.1021/acs.joc.7b02346","","","0.71073","MoKα","","0.0676","0.0547","","","0.1341","0.1467","","","","","","1.128","","","","has coordinates","227554","2020-10-21","18:00:00",""
"4033316","5.5612","0.0001","14.2627","0.0003","19.1433","0.0013","90","","90","","90","","1518.4","0.11","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N O2 P -","- C18 H18 N O2 P -","- C72 H72 N4 O8 P4 -","4","1","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.0402","0.0374","","","0.0912","0.0986","","","","","","1.082","","","","has coordinates","204745","2020-10-21","18:00:00",""
"4033317","7.6895","0.0004","12.8374","0.0005","17.1516","0.0006","90","","90","","90","","1693.09","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl I O S -","- C16 H16 Cl I O S -","- C64 H64 Cl4 I4 O4 S4 -","4","1","","Levitre, Guillaume; Dumoulin, Audrey; Retailleau, Pascal; Panossian, Armen; Leroux, Frédéric R; Masson, Géraldine","Asymmetric α-Sulfonyl- and α-Phosphoryl-Oxylation of Ketones by a Chiral Hypervalent Iodine(III).","The Journal of organic chemistry","2017","82","22","11877","11883","10.1021/acs.joc.7b01597","","x-ray","0.71073","MoKα","","0.0337","0.0265","","","0.0549","0.0571","","","","","","1.068","","","","has coordinates","204746","2020-10-21","18:00:00",""
"4033324","10.7404","0.0005","18.6914","0.001","26.8438","0.0014","90","","90","","90","","5389","0.5","218","2","218.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H65 F6 N2 O15 P S -","- C49 H65 F6 N2 O15 P S -","- C196 H260 F24 N8 O60 P4 S4 -","4","1","","Jones, Jason W.; Price, Jr, Terry L; Huang, Feihe; Zakharov, Lev; Rheingold, Arnold L.; Slebodnick, Carla; Gibson, Harry W.","Pseudocryptand Hosts for Paraquats and Diquats.","The Journal of organic chemistry","2018","83","2","823","834","10.1021/acs.joc.7b02812","","","0.71073","MoKα","","0.1818","0.1379","","","0.274","0.2986","","","","","","1.098","","","","has coordinates","227559","2020-10-21","18:00:00",""
"4033327","9.815","0.002","10.37","0.002","19.071","0.004","90","","90","","90","","1941.1","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O6 S -","- C18 H20 N2 O6 S -","- C72 H80 N8 O24 S4 -","4","1","","Lu, Ning; Fang, Yanhong; Gao, Yuan; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Bifunctional Thiourea-Ammonium Salt Catalysts Derived from Cinchona Alkaloids: Cooperative Phase-Transfer Catalysts in the Enantioselective Aza-Henry Reaction of Ketimines.","The Journal of organic chemistry","2018","83","3","1486","1492","10.1021/acs.joc.7b03078","","","0.71073","MoKα","","0.0782","0.0531","","","0.0957","0.103","","","","","","1.013","","","","has coordinates,has disorder","227613","2020-10-21","18:00:00",""
"4033329","6.1091","0.0003","9.5133","0.0004","22.6063","0.0009","90","","90","","90","","1313.83","0.1","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Sherwood, Alexander M.; Williamson, Samuel E.; Johnson, Stephanie N.; Yilmaz, Anil; Day, Victor W.; Prisinzano, Thomas E.","Scalable Regioselective and Stereoselective Synthesis of Functionalized (E)-4-Iodobut-3-en-1-ols: Gram-Scale Total Synthesis of Fungal Decanolides and Derivatives.","The Journal of organic chemistry","2018","83","2","980","992","10.1021/acs.joc.7b02324","","","1.54178","CuKα","","0.0692","0.0686","","","0.1811","0.1823","","","","","","1.059","","","","has coordinates","227561","2020-10-21","18:00:00",""
"4033335","6.9339","0.0004","16.3197","0.001","17.014","0.0012","90","","90","","90","","1925.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C84 H120 N8 O4 -","4","1","","Gobé, Valérian; Dousset, Maxime; Retailleau, Pascal; Gandon, Vincent; Guinchard, Xavier","Dissecting the Gold(I)-Catalyzed Carboaminations of N-Allyl Tetrahydro-β-carbolines to Allenes.","The Journal of organic chemistry","2018","83","2","898","912","10.1021/acs.joc.7b02900","","","1.54187","CuKα","","0.0566","0.035","","","0.0832","0.1078","","","","","","1.127","","","","has coordinates","227566","2020-10-21","18:00:00",""
"4033344","9.3211","0.0014","10.6406","0.0014","29.994","0.004","90","","90","","90","","2974.9","0.7","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 F3 O6 S -","- C30 H29 F3 O6 S -","- C120 H116 F12 O24 S4 -","4","1","","Ha, Min Woo; Lee, Jun Young; Kim, Doyoung; Lee, Geumwoo; Lee, Jae Kyun; Hong, Suckchang; Park, Hyeung-Geun","Enantioselective Synthesis of Chiral α-Thio-Quaternary Stereogenic Centers via Phase-Transfer-Catalyzed α-Alkylation of α-Acylthiomalonates.","The Journal of organic chemistry","2018","83","2","1011","1018","10.1021/acs.joc.7b02605","","","0.71075","MoKα","","","0.0548","","","","0.1306","","","","","","1.023","","","","has coordinates","227562","2020-10-21","18:00:00",""
"4033345","10.286","0.002","13.899","0.005","33.15","0.02","90","","90","","90","","4739","3","80","2","80","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","MFA-MA-148_80K","","- C48 H57 Cl2 N3 O10 -","- C48 H57 Cl2 N3 O10 -","- C192 H228 Cl8 N12 O40 -","4","1","","Meng, Zhanchao; Souillart, Laetitia; Monks, Brendan; Huwyler, Nikolas; Herrmann, Jennifer; Müller, Rolf; Fürstner, Alois","A ""Motif-Oriented"" Total Synthesis of Nannocystin Ax. Preparation and Biological Assessment of Analogues.","The Journal of organic chemistry","2017","","","","","10.1021/acs.joc.7b02871","","","0.5636","synchrotron","","0.0587","0.0462","","","0.1183","0.1261","","","","","","1.091","","","","has coordinates","205050","2020-10-21","18:00:00",""
"4033346","6.2637","0.0003","7.166","0.0004","29.5658","0.0013","90","","90","","90","","1327.08","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl N3 O -","- C14 H14 Cl N3 O -","- C56 H56 Cl4 N12 O4 -","4","1","","Bhagat, Ujjawal Kumar; Peddinti, Rama Krishna","Asymmetric Organocatalytic Approach to 2,4-Disubstituted 1,2,3-Triazoles by N2-Selective Aza-Michael Addition.","The Journal of organic chemistry","2018","83","2","793","804","10.1021/acs.joc.7b02793","","","0.71073","MoKα","","0.058","0.0446","","","0.1056","0.112","","","","","","1.029","","","","has coordinates","227567","2020-10-21","18:00:00",""
"4033362","7.3724","0.0015","7.3724","0.0015","20.222","0.007","90","","90","","90","","1099.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl N S -","- C10 H14 Cl N S -","- C40 H56 Cl4 N4 S4 -","4","1","","Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Denisenko, Aleksandr; Zozulya, Sergey; Borysko, Petro O.; Sokolenko, Maria I.; Tarasov, Alexandr; Mykhailiuk, Pavel K.","Photochemical Synthesis of 2-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery. Synthesis of 2,3-Ethanoproline.","The Journal of organic chemistry","2018","83","3","1394","1401","10.1021/acs.joc.7b02910","","","0.71073","MoKα","","0.1598","0.0638","","","0.1145","0.1465","","","","","","0.821","","","","has coordinates,has disorder","227616","2020-10-21","18:00:00",""
"4033364","5.5875","0.0007","10.408","0.0014","20.927","0.003","90","","90","","90","","1217","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 B F N O2 -","- C15 H11 B F N O2 -","- C60 H44 B4 F4 N4 O8 -","4","1","","Zhang, Sutao; Han, Yuxi; He, Jianghua; Zhang, Yuetao","B(C<sub>6</sub>F<sub>5</sub>)<sub>3</sub>-Catalyzed C3-Selective C-H Borylation of Indoles: Synthesis, Intermediates, and Reaction Mechanism.","The Journal of organic chemistry","2018","83","3","1377","1386","10.1021/acs.joc.7b02886","","","0.71073","MoKα","","0.0769","0.0489","","","0.0883","0.0965","","","","","","1.026","","","","has coordinates","227618","2020-10-21","18:00:00",""
"4033372","9.5218","0.0005","11.0694","0.0006","11.599","0.0006","90","","90","","90","","1222.54","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O6 -","- C11 H15 N O6 -","- C44 H60 N4 O24 -","4","1","","González, Marcos A; Estévez, Amalia M; Campos, María; Estévez, Juan C; Estévez, Ramón J","Protocol for the Incorporation of γ-Amino Acids into Peptides: Application to (-)-Shikimic Acid Based 2-Amino-Methylcyclohexanecarboxylic Acids.","The Journal of organic chemistry","2018","83","3","1543","1550","10.1021/acs.joc.7b02671","","x-ray","0.7107","MoKα","","0.0439","0.0367","","","0.1055","0.1159","","","","","","0.643","","","","has coordinates","227609","2020-10-21","18:00:00",""
"4033373","8.6117","0.0004","8.6517","0.0004","18.1435","0.0009","90","","90","","90","","1351.8","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O7 -","- C12 H19 N O7 -","- C48 H76 N4 O28 -","4","1","","González, Marcos A; Estévez, Amalia M; Campos, María; Estévez, Juan C; Estévez, Ramón J","Protocol for the Incorporation of γ-Amino Acids into Peptides: Application to (-)-Shikimic Acid Based 2-Amino-Methylcyclohexanecarboxylic Acids.","The Journal of organic chemistry","2018","83","3","1543","1550","10.1021/acs.joc.7b02671","","x-ray","0.7107","MoKα","","0.0401","0.0316","","","0.0743","0.0773","","","","","","1.066","","","","has coordinates","227609","2020-10-21","18:00:00",""
"4033374","4.798","0.0008","5.6534","0.0011","19.038","0.003","90","","90","","90","","516.41","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H3 Cl N2 O -","- C4 H3 Cl N2 O -","- C16 H12 Cl4 N8 O4 -","4","1","","Frei, Przemyslaw; Jones, D. Heulyn; Kay, Steven T.; McLellan, Jayde A.; Johnston, Blair F.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Regioselective Reaction of Heterocyclic N-Oxides, an Acyl Chloride, and Cyclic Thioethers.","The Journal of organic chemistry","2018","83","3","1510","1517","10.1021/acs.joc.7b02457","","","0.71073","MoKα","","0.0321","0.0294","","","0.0672","0.0703","","","","","","1.076","","","","has coordinates","227606","2020-10-21","18:00:00",""
"4033390","6.464","0.0007","13.667","0.002","20.093","0.003","90","","90","","90","","1775.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 O2 P S -","- C22 H15 O2 P S -","- C88 H60 O8 P4 S4 -","4","1","","Zhang, Xinghua; Wang, Dungai; An, Duo; Han, Boshi; Song, Xiang; Li, Liang; Zhang, Gaoqi; Wang, Lixian","Cu(II)/Proline-Catalyzed Reductive Coupling of Sulfuryl Chloride and P(O)-H for P-S-C Bond Formation.","The Journal of organic chemistry","2018","83","3","1532","1537","10.1021/acs.joc.7b02608","","","0.71073","MoKα","","0.1255","0.0678","","","0.1486","0.1886","","","","","","0.854","","","","has coordinates","227624","2020-10-21","18:00:00",""
"4033402","6.3017","0.0003","11.7387","0.0005","14.4","0.0006","90","","90","","90","","1065.22","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Krout, Michael R.; Henry, Christopher E.; Jensen, Thomas; Wu, Kun-Liang; Virgil, Scott C.; Stoltz, Brian M.","Wolff/Cope Approach to the AB Ring of the Sesterterpenoid Variecolin.","The Journal of organic chemistry","2018","83","13","6995","7009","10.1021/acs.joc.7b02972","","","0.71073","MoKα","","0.0301","0.0286","","","0.074","0.0744","","","","","","1.899","","","","has coordinates","227583","2020-10-21","18:00:00",""
"4033403","6.5854","0.0002","16.3469","0.0005","17.4873","0.0004","90","","90","","90","","1882.52","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N3 O5 -","- C19 H23 N3 O5 -","- C76 H92 N12 O20 -","4","1","","Prasad, Sure Siva; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.","The Journal of organic chemistry","2018","83","3","1558","1564","10.1021/acs.joc.7b02803","","","0.71073","MoKα","","0.0373","0.0319","","","0.0713","0.0746","","","","","","1.036","","","","has coordinates","227610","2020-10-21","18:00:00",""
"4033405","10.826","0.0004","10.8361","0.0004","18.793","0.0006","90","","90","","90","","2204.64","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O5 -","- C22 H29 N3 O5 -","- C88 H116 N12 O20 -","4","1","","Prasad, Sure Siva; Baskaran, Sundarababu","Iminosugar C-Nitromethyl Glycoside: Stereoselective Synthesis of Isoxazoline and Isoxazole-Fused Bicyclic Iminosugars.","The Journal of organic chemistry","2018","83","3","1558","1564","10.1021/acs.joc.7b02803","","","0.71073","MoKα","","0.0745","0.0421","","","0.0886","0.1017","","","","","","1.089","","","","has coordinates","227610","2020-10-21","18:00:00",""
"4033406","4.9774","0.0002","12.0515","0.0005","15.8253","0.0007","90","","90","","90","","949.28","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ilie109","","","- C10 H9 I O2 -","- C10 H9 I O2 -","- C40 H36 I4 O8 -","4","1","","Ilie, Adriana; Harms, Klaus; Reetz, Manfred T.","P450-Catalyzed Regio- and Stereoselective Oxidative Hydroxylation of 6-Iodotetralone: Preparative-Scale Synthesis of a Key Intermediate for Pd-Catalyzed Transformations.","The Journal of organic chemistry","2018","83","14","7504","7508","10.1021/acs.joc.7b02878","","","0.71073","MoKα","","0.0124","0.0119","","","0.0278","0.028","","","","","","1.065","","","","has coordinates","227587","2020-10-21","18:00:00",""
"4033411","11.2487","0.0009","16.8165","0.0014","19.3106","0.0016","90","","90","","90","","3652.9","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 B2 F8 O2 P2 -","- C34 H42 B2 F8 O2 P2 -","- C136 H168 B8 F32 O8 P8 -","4","1","","Sieber, Joshua D.; Rodriguez, Sonia; Frutos, Rogelio; Buono, Frederic; Zhang, Yongda; Li, Ning; Qu, Bo; Premasiri, Ajith; Li, Zhibin; Han, Zhengxu S.; Xu, Yibo; Byrne, Denis; Haddad, Nizar; Lorenz, Jon; Grinberg, Nelu; Kurouski, Dmitry; Lee, Heewon; Narayanan, Bikshandarkoil; Nummy, Laurence; Mulder, Jason; Brown, Jack D.; Granger, Alice; Gao, Joe; Krawiec, Mariusz; Williams, Zeena; Pennino, Scott; Song, Jinhua J.; Hossain, Azad; Yee, Nathan K.; Busacca, Carl; Roschangar, Frank; Xin, Yanchao; Mao, Zhantong; Zhang, Xinzhu; Hong, Yaping; Senanayake, Chris H.","Development of a Scalable, Chromatography-Free Synthesis of t-Bu-SMS-Phos and Application to the Synthesis of an Important Chiral CF<sub>3</sub>-Alcohol Derivative with High Enantioselectivity Using Rh-Catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2018","83","3","1448","1461","10.1021/acs.joc.7b03022","","","1.54178","CuKα","","0.0927","0.0754","","","0.198","0.2105","","","","","","1.027","","","","has coordinates,has disorder","227621","2020-10-21","18:00:00",""
"4033429","8.552","0.003","14.315","0.005","19.352","0.007","90","","90","","90","","2369.1","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O5 S -","- C26 H27 N O5 S -","- C104 H108 N4 O20 S4 -","4","1","","Khan, Hina P. A.; Chakraborty, Tushar Kanti","Diversity-Oriented Approach to N-Heterocyclic Compounds from α-Phenyl-β-enamino Ester via a Mitsunobu-Michael Reaction Sequence.","The Journal of organic chemistry","2018","83","4","2027","2039","10.1021/acs.joc.7b02962","","","0.71073","MoKα","","0.1044","0.0477","","","0.1113","0.1469","","","","","","0.929","","","","has coordinates","227528","2020-10-21","18:00:00",""
"4033459","8.3873","0.0007","9.3221","0.0008","22.9755","0.0019","90","","90","","90","","1796.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 O2 S -","- C22 H18 O2 S -","- C88 H72 O8 S4 -","4","1","","Rodríguez, Ricardo I; Ramírez, Elsie; Yuste, Francisco; Sánchez-Obregón, Rubén; Alemán, José","Asymmetric Synthesis of Secondary and Tertiary Propargylic Alcohols by Umpolung of Acetylenic Sulfones and ortho-Sulfinyl Carbanions.","The Journal of organic chemistry","2018","83","4","1940","1947","10.1021/acs.joc.7b02887","","","0.71073","MoKα","","0.0885","0.0585","","","0.0937","0.1087","","","","","","1.08","","","","has coordinates","227540","2020-10-21","18:00:00",""
"4033460","6.97","0.0003","10.2932","0.0005","23.6169","0.0013","90","","90","","90","","1694.36","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 O3 S2 -","- C17 H15 N3 O3 S2 -","- C68 H60 N12 O12 S8 -","4","1","","Radhakrishnan, Rakesh; Sreejalekshmi, K. G.","Computational Design, Synthesis, and Structure Property Evaluation of 1,3-Thiazole-Based Color-Tunable Multi-heterocyclic Small Organic Fluorophores as Multifunctional Molecular Materials.","The Journal of organic chemistry","2018","83","7","3453","3466","10.1021/acs.joc.7b02978","","","0.71073","MoKα","","0.0334","0.0292","","","0.0741","0.079","","","","","","1.074","","","","has coordinates","227601","2020-10-21","18:00:00",""
"4033465","7.0365","0.0007","15.2618","0.0016","20.961","0.002","90","","90","","90","","2251","0.4","119","2","119","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl3 O7 -","- C23 H21 Cl3 O7 -","- C92 H84 Cl12 O28 -","4","1","","Saavedra, Diana I.; Rencher, Benjamin D.; Kwon, Doo-Hyun; Smith, Stacey J.; Ess, Daniel H.; Andrus, Merritt B.","Synthesis and Computational Studies Demonstrate the Utility of an Intramolecular Styryl Diels-Alder Reaction and Di-t-butylhydroxytoluene Assisted [1,3]-Shift to Construct Anticancer dl-Deoxypodophyllotoxin.","The Journal of organic chemistry","2018","83","4","2018","2026","10.1021/acs.joc.7b02957","","","1.54178","CuKα","","0.0358","0.0316","","","0.0704","0.072","","","","","","1.008","","","","has coordinates,has disorder","227542","2020-10-21","18:00:00",""
"4033468","11.3559","0.0003","15.9683","0.0003","20.4082","0.0006","90","","90","","90","","3700.71","0.16","101","2","101","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 O8 -","- C42 H48 O8 -","- C168 H192 O32 -","4","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","x-ray","0.71073","MoKα","","0.0705","0.0476","","","0.1059","0.117","","","","","","1.114","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033470","7.465","0.0005","14.7263","0.001","31.5337","0.0018","90","","90","","90","","3466.6","0.4","99.97","0.13","99.97","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H38 N2 O10 -","- C39 H38 N2 O10 -","- C156 H152 N8 O40 -","4","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","","0.7107","MoKα","","0.0675","0.044","","","0.0781","0.0852","","","","","","1.055","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033471","11.5718","0.0008","14.1562","0.0009","22.0456","0.0015","90","","90","","90","","3611.3","0.4","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 O8 -","- C42 H48 O8 -","- C168 H192 O32 -","4","1","","Hedberg, Christinne; Estrup, Morten; Eikeland, Espen Z.; Jensen, Henrik H.","Vinyl Grignard-Mediated Stereoselective Carbocyclization of Lactone Acetals.","The Journal of organic chemistry","2018","83","4","2154","2165","10.1021/acs.joc.7b03079","","","0.56086","AgKα","","0.0744","0.0469","","","0.0996","0.1113","","","","","","1.038","","","","has coordinates","227545","2020-10-21","18:00:00",""
"4033482","10.9679","0.0002","17.732","0.0003","20.2762","0.0004","90","","90","","90","","3943.37","0.13","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 Br N4 O6 -","- C44 H41 Br N4 O6 -","- C176 H164 Br4 N16 O24 -","4","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0588","0.0381","","","0.0738","0.0789","","","","","","0.974","","","","has coordinates,has disorder","227541","2020-10-21","18:00:00",""
"4033483","5.6523","0.0001","17.3959","0.0004","21.5001","0.0005","90","","90","","90","","2114.04","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N3 O3 -","- C23 H22 Br N3 O3 -","- C92 H88 Br4 N12 O12 -","4","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0417","0.0319","","","0.0594","0.0617","","","","","","0.996","","","","has coordinates","227541","2020-10-21","18:00:00",""
"4033484","8.5819","0.0004","10.4353","0.0005","18.294","0.001","90","","90","","90","","1638.31","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O3 -","- C18 H20 Cl N O3 -","- C72 H80 Cl4 N4 O12 -","4","1","","Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.","(R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.","The Journal of organic chemistry","2018","83","4","2293","2308","10.1021/acs.joc.7b03185","","","0.71073","MoKα","","0.0398","0.0312","","","0.0644","0.0679","","","","","","1.084","","","","has coordinates","227541","2020-10-21","18:00:00",""
"4033493","13.6323","0.0002","15.09644","0.00019","25.7076","0.0003","90","","90","","90","","5290.6","0.12","185","0.1","185","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C240 H208 N16 O48 S16 -","16","4","","Witalewska, Marzena; Wrona-Piotrowicz, Anna; Makal, Anna; Zakrzewski, Janusz","Polycyclic Aromatic N-Ethoxycarbonyl Thioamide S-Oxides and Their Triflic Acid Promoted Cyclization to Fluorescent Thiophene Imine-Fused Arenes.","The Journal of organic chemistry","2018","83","4","1933","1939","10.1021/acs.joc.7b02867","","x-ray","0.71073","MoKα","","0.0662","0.0457","","","0.0931","0.103","","","","","","1.043","","","","has coordinates","227536","2020-10-21","18:00:00",""
"4033512","10.098","0.004","13.103","0.005","14.443","0.005","90","","90","","90","","1911","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Hunter, Arianne C.; Schlitzer, Steven C.; Stevens, Joseph C.; Almutwalli, Bilal; Sharma, Indrajeet","A Convergent Approach to Diverse Spiroethers through Stereoselective Trapping of Rhodium Carbenoids with Gold-Activated Alkynols.","The Journal of organic chemistry","2018","83","5","2744","2752","10.1021/acs.joc.7b03196","","","0.71073","MoKα","","0.0994","0.0514","","","0.1174","0.1478","","","","","","1.027","","","","has coordinates","227519","2020-10-21","18:00:00",""
"4033515","7.052","0.0005","22.3291","0.0013","27.6452","0.0017","90","","90","","90","","4353.1","0.5","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br N3 O6 S -","- C21 H20.5 Br N3 O6 S -","- C168 H164 Br8 N24 O48 S8 -","8","2","","Zhang, Jun-Qi; Tong, Feifei; Sun, Bing-Bing; Fan, Wei-Tai; Chen, Jun-Bo; Hu, Dandan; Wang, Xing-Wang","Pd-Catalyzed Asymmetric Dearomative Cycloaddition for Construction of Optically Active Pyrroloindoline and Cyclopentaindoline Derivatives: Access to 3a-Aminopyrroloindolines.","The Journal of organic chemistry","2018","83","5","2882","2891","10.1021/acs.joc.8b00046","","","0.71073","MoKα","","0.0724","0.0486","","","0.0964","0.1244","","","","","","1.071","","","","has coordinates","253206","2020-10-21","18:00:00",""
"4033526","5.364","0.0002","10.4478","0.0003","19.1395","0.0006","90","","90","","90","","1072.62","0.06","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N2 O7 -","- C10 H8 N2 O7 -","- C40 H32 N8 O28 -","4","1","","Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy","Synthesis of Vicinal Dichlorides via Activation of Aliphatic Terminal Epoxides with Triphosgene and Pyridine.","The Journal of organic chemistry","2018","83","6","3367","3377","10.1021/acs.joc.7b03197","","","1.54184","CuKα","","0.0225","0.0224","","","0.0582","0.0584","","","","","","1.081","","","","has coordinates","227576","2020-10-21","18:00:00",""
"4033529","6.0477","0.0003","7.596","0.0004","20.0487","0.0011","90","","90","","90","","921","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,3aR,4R,9aS)-hexahydro-2H-3,4-methanofuro[2,3-c]oxocine-2,1(3H)-dione","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Xin, Yangchun; Rodríguez-Santiago, Luís; Sodupe, Mariona; Álvarez-Larena, Angel; Busqué, Félix; Alibés, Ramon","Intramolecular Photocycloaddition of 2(5 H)-Furanones to Temporarily Tethered Terminal Alkenes as a Stereoselective Source of Enantiomerically Pure Polyfunctionalyzed Cyclobutanes.","The Journal of organic chemistry","2018","83","6","3188","3199","10.1021/acs.joc.8b00088","","","0.71073","MoKα","","0.0395","0.0382","","","0.0998","0.1011","","","","","","1.073","","","","has coordinates","227581","2020-10-21","18:00:00",""
"4033540","6.3525","0.0003","14.6783","0.001","20.3136","0.0014","90","","90","","90","","1894.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C84 H128 O20 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.5418","CuKα","","0.0584","0.0492","","","0.1294","0.1424","","","","","","0.913","","","","has coordinates","227599","2020-10-21","18:00:00",""
"4033543","7.6561","0.0004","20.7843","0.001","22.6355","0.0012","90","","90","","90","","3601.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 O8 -","- C42 H42 O8 -","- C168 H168 O32 -","4","1","","Wang, Yong; Liu, Miao; Liu, Lei; Xia, Jian-Hui; Du, Yu-Guo; Sun, Jian-Song","The Structural Revision and Total Synthesis of Carambolaflavone A.","The Journal of organic chemistry","2018","83","7","4111","4118","10.1021/acs.joc.8b00008","","","0.71073","MoKα","","0.0786","0.0542","","","0.1205","0.1332","","","","","","1.042","","","","has coordinates","227589","2020-10-21","18:00:00",""
"4033551","8.2576","0.0003","10.4049","0.0004","19.0995","0.0008","90","","90","","90","","1641.02","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C76 H88 O24 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0613","0.0442","","","0.1107","0.1176","","","","","","1.06","","","","has coordinates","227597","2020-10-21","18:00:00",""
"4033552","7.6137","0.0004","9.3584","0.0005","24.1592","0.0013","90","","90","","90","","1721.39","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Br O5 -","- C19 H23 Br O5 -","- C76 H92 Br4 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","0.71073","MoKα","","0.0297","0.0251","","","0.0613","0.0625","","","","","","1.035","","","","has coordinates","227597","2020-10-21","18:00:00",""
"4033553","5.6498","0.0004","15.0191","0.0009","25.5231","0.0017","90","","90","","90","","2165.8","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O5 S -","- C27 H21 N O5 S -","- C108 H84 N4 O20 S4 -","4","1","","Achary, Raghavendra; Jung, In-A; Lee, Hyeon-Kyu","Tandem Rh-Catalyzed Oxidative C-H Olefination and Cyclization of Enantiomerically Enriched Benzo-1,3-Sulfamidates: Stereoselective Synthesis of trans-1,3-Disubstituted Isoindolines.","The Journal of organic chemistry","2018","83","7","3864","3878","10.1021/acs.joc.8b00204","","","0.71073","MoKα","","0.128","0.0742","","","0.1213","0.1386","","","","","","1","","","","has coordinates","227592","2020-10-21","18:00:00",""
"4033554","5.65","0.0007","13.3279","0.0015","28.334","0.003","90","","90","","90","","2133.6","0.4","296","1","296","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Br N O5 S -","- C23 H18 Br N O5 S -","- C92 H72 Br4 N4 O20 S4 -","4","1","","Achary, Raghavendra; Jung, In-A; Lee, Hyeon-Kyu","Tandem Rh-Catalyzed Oxidative C-H Olefination and Cyclization of Enantiomerically Enriched Benzo-1,3-Sulfamidates: Stereoselective Synthesis of trans-1,3-Disubstituted Isoindolines.","The Journal of organic chemistry","2018","83","7","3864","3878","10.1021/acs.joc.8b00204","","","0.71073","MoKα","","0.0602","0.0403","","","0.0869","0.0949","","","","","","1.024","","","","has coordinates","227592","2020-10-21","18:00:00",""
"4033586","6.8925","0.0001","8.5995","0.0002","33.9536","0.0007","90","","90","","90","","2012.5","0.07","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 F3 N3 O7 S -","- C17 H20 F3 N3 O7 S -","- C68 H80 F12 N12 O28 S4 -","4","1","","Jain, Prashi; Raji, Idris O.; Chamakuri, Srinivas; MacKenzie, Kevin R.; Ebright, Brandon T.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 5-Substituted Piperazine-2-Acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2019","84","10","6040","6064","10.1021/acs.joc.9b00148","","","1.54178","CuKα","","0.0203","0.0202","","","0.0526","0.0528","","","","","","1.077","","","","has coordinates","223218","2020-10-21","18:00:00",""
"4033634","7.7019","0.0005","10.3698","0.0007","25.1234","0.0014","90","","90","","90","","2006.5","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 O2 S -","- C24 H28 O2 S -","- C96 H112 O8 S4 -","4","1","","Wu, Wanqing; Chen, Yang; Li, Meng; Hu, Weigao; Lin, Xuemin","Access to Polysubstituted (Furyl)methylthioethers via a Base-Promoted S-H Insertion Reaction of Conjugated Enynones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02053","","x-ray","0.71073","MoKα","","0.0527","0.0445","","","0.094","0.0988","","","","","","1.028","","","","has coordinates","219621","2020-10-21","18:00:00",""
"4033647","5.4276","0.0002","15.5769","0.0008","15.8835","0.0008","90","","90","","90","","1342.87","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O5 S2 -","- C12 H14 O5 S2 -","- C48 H56 O20 S8 -","4","1","","Mear, Sarah Jane; Jamison, Timothy F.","Diazotization of S-Sulfonyl-cysteines","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02630","","","0.71073","MoKα","","0.0228","0.0215","","","0.0541","0.0545","","","","","","1.07","","","","has coordinates","220328","2020-10-21","18:00:00",""
"4033648","6.7185","0.00004","7.05778","0.00004","27.0126","0.0002","90","","90","","90","","1280.88","0.014","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 N2 O6 Se -","- C10 H16 N2 O6 Se -","- C40 H64 N8 O24 Se4 -","4","1","","Lee, Hyejin; Jarhad, Dnyandev B.; Yu, Jinha; Lee, Choongho; Jeong, Lak Shin","Asymmetric Synthesis of 2'-<i>C</i>-Methyl-4'-selenonucleosides as Anti-Hepatitis C Virus Agents.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01462","","x-ray","1.54184","CuKα","","0.0181","0.018","","","0.0465","0.0466","","","","","","1.066","","","","has coordinates","220505","2020-10-21","18:00:00",""
"4033649","7.515","0.0001","7.7136","0.0001","24.1346","0.0003","90","","90","","90","","1399.03","0.03","292.82","0.1","292.82","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cl N5 O3 Se -","- C11 H14 Cl N5 O3 Se -","- C44 H56 Cl4 N20 O12 Se4 -","4","1","","Lee, Hyejin; Jarhad, Dnyandev B.; Yu, Jinha; Lee, Choongho; Jeong, Lak Shin","Asymmetric Synthesis of 2'-<i>C</i>-Methyl-4'-selenonucleosides as Anti-Hepatitis C Virus Agents.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01462","","x-ray","1.54184","CuKα","","0.0241","0.0232","","","0.0598","0.0603","","","","","","1.072","","","","has coordinates","220506","2020-10-21","18:00:00",""
"4033650","7.5314","0.0002","7.9755","0.0002","22.8076","0.0005","90","","90","","90","","1369.98","0.06","293.44","0.16","293.44","0.16","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl N4 O3 Se -","- C11 H13 Cl N4 O3 Se -","- C44 H52 Cl4 N16 O12 Se4 -","4","1","","Lee, Hyejin; Jarhad, Dnyandev B.; Yu, Jinha; Lee, Choongho; Jeong, Lak Shin","Asymmetric Synthesis of 2'-<i>C</i>-Methyl-4'-selenonucleosides as Anti-Hepatitis C Virus Agents.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01462","","x-ray","1.54184","CuKα","","0.0465","0.0459","","","0.1276","0.128","","","","","","1.159","","","","has coordinates","220507","2020-10-21","18:00:00",""
"4033651","6.7275","0.0005","13.0314","0.0013","32.146","0.003","90","","90","","90","","2818.2","0.4","100","2","100.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 O11 -","- C27 H30 O11 -","- C108 H120 O44 -","4","1","","Hawsawi, Mohammed; Wickramasinghe, Anura; Crich, David","Use of Phenols as Nucleophiles in the Zbiral Oxidative Deamination of <i>N</i>-Acetyl Neuraminic Acid: Isolation and Characterization of Tricyclic 3-Keto-2-deoxy-nonulosonic Acid (KDN) Derivatives via an Intermediate Vinyl Diazonium Ion.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02279","","","0.71073","MoKα","","0.0541","0.0366","","","0.0758","0.0809","","","","","","1.04","","","","has coordinates","220508","2020-10-21","18:00:00",""
"4033670","5.7431","0.0002","8.4432","0.0002","16.6662","0.0004","90","","90","","90","","808.15","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C32 H48 O16 -","4","1","","Becerril-Jiménez, Fabiola; Lussier, Tommy; Leblanc, Louis; Eymard, Carla; Dostie, Starr; Prévost, Michel; Guindon, Yvan","Photoredox-Catalyzed Stereoselective Radical Reactions to Synthesize Nucleoside Analogues with a C2'-Stereogenic All-Carbon Quaternary Center.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02374","","","1.54178","CuKα","","0.0317","0.0312","","","0.0829","0.0834","","","","","","1.052","","","","has coordinates","222148","2020-10-21","18:00:00",""
"4033674","7.9889","0.0002","13.9286","0.0003","15.6096","0.0004","90","","90","","90","","1736.95","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N3 O6 S -","- C15 H21 N3 O6 S -","- C60 H84 N12 O24 S4 -","4","1","","Jain, Prashi; Raji, Idris O.; Chamakuri, Srinivas; MacKenzie, Kevin R.; Ebright, Brandon T.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 5-Substituted Piperazine-2-Acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2019","84","10","6040","6064","10.1021/acs.joc.9b00148","","","1.54178","CuKα","","0.0212","0.0211","","","0.055","0.0551","","","","","","1.047","","","","has coordinates","222250","2020-10-21","18:00:00",""
"4033707","11.3411","0.0006","18.519","0.0013","9.0419","0.0005","90","","90","","90","","1899","0.2","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Fe N O2 -","- C24 H25 Fe N O2 -","- C96 H100 Fe4 N4 O8 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","","0.71073","MoKα","","0.0669","0.0487","","","0.0858","0.0938","","","","","","1.064","","","","has coordinates,has disorder","222282","2020-10-21","18:00:00",""
"4033708","9.3286","0.0004","11.5424","0.0005","17.6325","0.0008","90","","90","","90","","1898.57","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Fe N O -","- C24 H27 Fe N O -","- C96 H108 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0442","0.0382","","","0.0733","0.0768","","","","","","1.082","","","","has coordinates,has disorder","222283","2020-10-21","18:00:00",""
"4033709","9.7648","0.0004","9.8776","0.001","26.8081","0.0011","90","","90","","90","","2585.7","0.3","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Br Fe N O2 -","- C31 H30 Br Fe N O2 -","- C124 H120 Br4 Fe4 N4 O8 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.049","0.0395","","","0.0666","0.0702","","","","","","1.029","","","","has coordinates","222284","2020-10-21","18:00:00",""
"4033712","9.3061","0.0003","13.2809","0.0004","15.7071","0.0005","90","","90","","90","","1941.29","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Fe N O2 -","- C24 H25 Fe N O2 -","- C96 H100 Fe4 N4 O8 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0355","0.0322","","","0.0673","0.0688","","","","","","1.088","","","","has coordinates","222287","2020-10-21","18:00:00",""
"4033716","9.2338","0.0004","12.0196","0.0006","16.6968","0.0007","90","","90","","90","","1853.12","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Fe N O -","- C24 H25 Fe N O -","- C96 H100 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0453","0.0384","","","0.0731","0.077","","","","","","1.046","","","","has coordinates","222291","2020-10-21","18:00:00",""
"4033717","9.1397","0.0002","18.9143","0.0005","10.8778","0.0003","90","","90","","90","","1880.46","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Fe N O -","- C24 H25 Fe N O -","- C96 H100 Fe4 N4 O4 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.0307","0.0274","","","0.0597","0.0613","","","","","","1.035","","","","has coordinates","222292","2020-10-21","18:00:00",""
"4033719","8.5891","0.0001","15.2073","0.0002","30.365","0.0005","90","","90","","90","","3966.19","0.1","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Fe N O2.5 -","- C24 H26 Fe N O2.5 -","- C192 H208 Fe8 N8 O20 -","8","2","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","1.54184","CuKα","","0.0516","0.0429","","","0.0973","0.1019","","","","","","1.018","","","","has coordinates","222294","2020-10-21","18:00:00",""
"4033720","10.0109","0.0004","10.6354","0.0005","24.1206","0.0012","90","","90","","90","","2568.1","0.2","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Br Fe N O3 -","- C31 H28 Br Fe N O3 -","- C124 H112 Br4 Fe4 N4 O12 -","4","1","","Li, Hongjie; Jia, Peijing; Qian, Naixin; Li, Shasha; Jiao, Peng","Simultaneous Construction of Planar and Central Chiralities as Well as Unprecedented Axial Chirality on and around a Ferrocene Backbone.","The Journal of organic chemistry","2019","84","5","2817","2828","10.1021/acs.joc.8b03221","","x-ray","0.71073","MoKα","","0.048","0.0363","","","0.0628","0.0665","","","","","","1.024","","","","has coordinates","222295","2020-10-21","18:00:00",""
"4033722","6.964","0.0014","9.156","0.0018","31.185","0.006","90","","90","","90","","1988.4","0.7","100","0.2","100","0.02","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H31 N O10 S -","- C15 H31 N O10 S -","- C60 H124 N4 O40 S4 -","4","1","","Abayakoon, Palika; Epa, Ruwan; Petricevic, Marija; Bengt, Christopher; Mui, Janice W.-Y.; van der Peet, Phillip L.; Zhang, Yunyang; Lingford, James P.; White, Jonathan M.; Goddard-Borger, Ethan D; Williams, Spencer J.","Comprehensive Synthesis of Substrates, Intermediates, and Products of the Sulfoglycolytic Embden-Meyerhoff-Parnas Pathway.","The Journal of organic chemistry","2019","84","5","2901","2910","10.1021/acs.joc.9b00055","","","0.710878","Synchrotron","","0.0531","0.0465","","","0.1196","0.1276","","","","","","1.045","","","","has coordinates","222297","2020-10-21","18:00:00",""
"4033741","9.1649","0.0013","10.6661","0.0015","19.06","0.003","90","","90","","90","","1863.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F2 N3 O4 -","- C20 H17 F2 N3 O4 -","- C80 H68 F8 N12 O16 -","4","1","","Liu, Jin; Li, Qi; Cao, Zheng-Mao; Jin, Yi; Lin, Jun; Yan, Sheng-Jiao","Cascade Reaction of Morita-Baylis-Hillman Acetates with 1,1-Enediamines or Heterocyclic Ketene Aminals: Synthesis of Highly Functionalized 2-Aminopyrroles.","The Journal of organic chemistry","2019","84","4","1797","1807","10.1021/acs.joc.8b02594","","","0.71073","MoKα","","0.0695","0.0394","","","0.0799","0.0897","","","","","","0.956","","","","has coordinates","222316","2020-10-21","18:00:00",""
"4033743","7.6014","0.0003","11.0951","0.0004","21.1486","0.001","90","","90","","90","","1783.64","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","0.71073","MoKα","","0.0688","0.0647","","0.1598","0.1549","0.1549","","","","","","0.9294","","","","has coordinates","222318","2020-10-21","18:00:00",""
"4033744","7.6061","0.0003","11.0989","0.0003","21.165","0.0007","90","","90","","90","","1786.74","0.1","120","2","120","2","","","","","","","synthesized by the authors","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","1.54178","CuKα","","0.0532","0.0497","","","0.1324","0.135","","","","","","1.125","","","","has coordinates,has disorder","222319","2020-10-21","18:00:00",""
"4033747","7.6059","0.0002","11.0958","0.0003","21.1436","0.0007","90","","90","","90","","1784.38","0.09","121","2","121","2","","","","","","","synthesized by the authors","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 F4 -","- C26 H12 F4 -","- C104 H48 F16 -","4","1","","Církva, Vladimír; Jakubík, Pavel; Strašák, Tomáš; Hrbáč, Jan; Sýkora, Jan; Císařová, Ivana; Vacek, Jan; Žádný, Jaroslav; Storch, Jan","Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.","The Journal of organic chemistry","2019","84","4","1980","1993","10.1021/acs.joc.8b02870","","","1.54178","CuKα","","0.0551","0.0495","","","0.1185","0.1216","","","","","","1.118","","","","has coordinates,has disorder","222322","2020-10-21","18:00:00",""
"4033748","8.4109","0.0004","10.9387","0.0004","28.7518","0.0013","90","","90","","90","","2645.3","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Si -","- C30 H34 Si -","- C120 H136 Si4 -","4","1","","Walkowiak, Jędrzej; Salamon, Katarzyna; Franczyk, Adrian; Stefanowska, Kinga; Szyling, Jakub; Kownacki, Ireneusz","Pt-Catalyzed Hydrosilylation of 1,3-Diynes with Triorganosilanes: Regio- and Stereoselective Synthesis of Mono- or Bis-silylated Adducts.","The Journal of organic chemistry","2019","84","4","2358","2365","10.1021/acs.joc.8b03143","","x-ray","0.71073","MoKα","","0.0486","0.04","","","0.1028","0.1096","","","","","","1.046","","","","has coordinates","222323","2020-10-21","18:00:00",""
"4033788","8.2746","0.0005","10.5612","0.0006","25.1263","0.0015","90","","90","","90","","2195.8","0.2","294","1","294","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br2 N O S -","- C21 H25 Br2 N O S -","- C84 H100 Br8 N4 O4 S4 -","4","1","","Mendes, Joseane A.; Merino, Pedro; Soler, Tatiana; Salustiano, Eduardo J.; Costa, Paulo R. R.; Yus, Miguel; Foubelo, Francisco; Buarque, Camilla D.","Enantioselective Synthesis, DFT Calculations, and Preliminary Antineoplastic Activity of Dibenzo 1-Azaspiro[4.5]decanes on Drug-Resistant Leukemias.","The Journal of organic chemistry","2019","84","4","2219","2233","10.1021/acs.joc.8b03203","","","0.71073","MoKα","","0.056","0.0379","","","0.0899","0.0962","","","","","","1.005","","","","has coordinates","222363","2020-10-21","18:00:00",""
"4033800","10.2417","0.0018","10.911","0.002","20.105","0.003","90","","90","","90","","2246.7","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 F N2 O4 -","- C26 H23 F N2 O4 -","- C104 H92 F4 N8 O16 -","4","1","","Mishra, Manmath; De, Pinaki Bhusan; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Stereospecific Copper(II)-Catalyzed Tandem Ring Opening/Oxidative Alkylation of Donor-Acceptor Cyclopropanes with Hydrazones: Synthesis of Tetrahydropyridazines.","The Journal of organic chemistry","2019","84","17","10901","10910","10.1021/acs.joc.9b01506","","","0.71073","MoKα","","0.1253","0.0608","","","0.1415","0.1802","","","","","","0.999","","","","has coordinates","222376","2020-10-21","18:00:00",""
"4033852","13.2222","0.0003","14.2829","0.0004","17.1194","0.0004","90","","90","","90","","3233.02","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C136 H216 N8 O32 -","8","2","","Zhang, Zhi-Jun; Wang, Chen; Wu, Xing-De; Huang, Yan; Zhou, Wen-Xia; Zhao, Qin-Shi","Phlegmadine A: A <i>Lycopodium</i> Alkaloid with a Unique Cyclobutane Ring from <i>Phlegmariurus phlegmaria</i>.","The Journal of organic chemistry","2019","84","17","11301","11305","10.1021/acs.joc.9b01723","","","1.54178","CuKα","","0.0286","0.0285","","","0.0754","0.0755","","","","","","1.096","","","","has coordinates","222429","2020-10-21","18:00:00",""
"4033862","5.9826","0.0005","10.7112","0.0011","27.094","0.003","90","","90","","90","","1736.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N6 O2 S -","- C17 H16 N6 O2 S -","- C68 H64 N24 O8 S4 -","4","1","","Yang, Hongwei; Huang, Liping; Xu, Minxian; Tang, Yongxing; Wang, Bohan; Cheng, Guangbin","Strategy for Extending the Nitrogen Chain: The Bis(1,2,3-triazole) Formation Reaction from Tosylhydrazones and <i>N</i>-Amino Azole.","The Journal of organic chemistry","2019","84","17","10629","10634","10.1021/acs.joc.9b00801","","","0.71073","MoKα","","0.0819","0.0432","","","0.0729","0.0824","","","","","","1.036","","","","has coordinates","222439","2020-10-21","18:00:00",""
"4033864","11.5493","0.0003","14.4808","0.0004","15.7452","0.0004","90","","90","","90","","2633.28","0.12","170","2","169.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 N O2 -","- C35 H31 N O2 -","- C140 H124 N4 O8 -","4","1","","Mao, Jia; Zhang, Hao; Ding, Xiang-Feng; Luo, Xiaoyan; Deng, Wei-Ping","Synergistic Catalysis for Asymmetric [3 + 2] Cycloadditions of 2-Indolylmethanols with <i>α,β</i>-Unsaturated Aldehydes.","The Journal of organic chemistry","2019","84","17","11186","11194","10.1021/acs.joc.9b01234","","","1.34139","GaKα","","0.0453","0.0431","","","0.1077","0.1096","","","","","","1.034","","","","has coordinates","222441","2020-10-21","18:00:00",""
"4033869","12.8492","0.0007","23.7824","0.0012","8.4063","0.0004","90","","90","","90","","2568.8","0.2","299","2","299.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 N3 O3 -","- C30 H31 N3 O3 -","- C120 H124 N12 O12 -","4","1","","D'Amato, Assunta; Pierri, Giovanni; Tedesco, Consiglia; Della Sala, Giorgio; Izzo, Irene; Costabile, Chiara; De Riccardis, Francesco","Reverse Turn and Loop Secondary Structures in Stereodefined Cyclic Peptoid Scaffolds.","The Journal of organic chemistry","2019","84","17","10911","10928","10.1021/acs.joc.9b01509","","","1.54178","CuKα","","0.0564","0.051","","","0.1398","0.1439","","","","","","1.07","","","","has coordinates","222446","2020-10-21","18:00:00",""
"4033884","8.5792","0.0001","9.5408","0.0001","23.8992","0.0003","90","","90","","90","","1956.21","0.04","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(6S*,8R*)-6,8-bis(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene","(6S*,8R*)-6,8-bis(4-methoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromene","","- C24 H22 O5 -","- C24 H22 O5 -","- C96 H88 O20 -","4","1","","Tanaka, Kenta; Omata, Daichi; Asada, Yosuke; Hoshino, Yujiro; Honda, Kiyoshi","Organophotoredox-Catalyzed Intermolecular Oxa-[4+2] Cycloaddition Reactions.","The Journal of organic chemistry","2019","84","17","10669","10678","10.1021/acs.joc.9b01156","","x-ray","1.54184","CuKα","","0.0522","0.0492","","","0.1355","0.1388","","","","","","1.047","","","","has coordinates","222457","2020-10-21","18:00:00",""
"4033891","5.582","0.0002","10.6694","0.0003","40.2605","0.001","90","","90","","90","","2397.78","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 N2 O3 S -","- C29 H26 N2 O3 S -","- C116 H104 N8 O12 S4 -","4","1","","Dhanasekaran, Sivasankaran; Kannaujiya, Vinod K.; Biswas, Rayhan G.; Singh, Vinod K.","Enantioselective A<sup>3</sup>-Coupling Reaction Employing Chiral Cu<sup>I</sup>- <sup>i</sup>PrpyboxdiPh/ N-Boc-(l)-Proline Complex under Cooperative Catalysis: Application in the Synthesis of (Indol-2-yl)methanamines.","The Journal of organic chemistry","2019","84","6","3275","3292","10.1021/acs.joc.8b03225","","","0.71073","MoKα","","0.0856","0.0551","","","0.1021","0.1142","","","","","","1.002","","","","has coordinates","222466","2020-10-21","18:00:00",""
"4033897","9.2495","0.0005","15.2792","0.0008","34.4997","0.0017","90","","90","","90","","4875.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H69 Cl6 N O6 S3 -","- C41 H69 Cl6 N O6 S3 -","- C164 H276 Cl24 N4 O24 S12 -","4","1","","Ayer, Suraj K.; Roizen, J. L.","Sulfamate Esters Guide C(3)-Selective Xanthylation of Alkanes.","The Journal of organic chemistry","2019","84","6","3508","3523","10.1021/acs.joc.9b00105","","","0.71073","MoKα","","0.0903","0.0782","","","0.2179","0.2252","","","","","","1.145","","","","has coordinates,has disorder","222472","2020-10-21","18:00:00",""
"4033899","6.9296","0.0002","13.6851","0.0003","18.2162","0.0004","90","","90","","90","","1727.48","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Wu, Guo-Jie; Zhang, Yuan-He; Tan, Dong-Xing; He, Long; Cao, Bao-Chen; He, Yu-Peng; Han, Fu-She","Synthetic Studies on Enantioselective Total Synthesis of Cyathane Diterpenoids: Cyrneines A and B, Glaucopine C, and (+)-Allocyathin B<sub>2</sub>.","The Journal of organic chemistry","2019","84","6","3223","3238","10.1021/acs.joc.8b03138","","","1.54178","CuKα","","0.0366","0.0353","","","0.0921","0.0936","","","","","","1.068","","","","has coordinates","222474","2020-10-21","18:00:00",""
"4033900","9.0771","0.0002","10.5122","0.0003","14.57","0.0004","90","","90","","90","","1390.27","0.06","303","2","303.38","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Wu, Qihao; Ye, Fei; Li, Xiao-Lu; Liang, Lin-Fu; Sun, Jiadong; Sun, Han; Guo, Yue-Wei; Wang, Hong","Uncommon Polyoxygenated Sesquiterpenoids from South China Sea Soft Coral Lemnalia flava.","The Journal of organic chemistry","2019","84","6","3083","3092","10.1021/acs.joc.8b02912","","","1.34139","GaKα","","0.0385","0.0344","","","0.0838","0.0866","","","","","","1.072","","","","has coordinates","222476","2020-10-21","18:00:00",""
"4033903","6.9218","0.0001","10.1926","0.0001","13.0782","0.0002","90","","90","","90","","922.68","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 F2 N O3 -","- C8 H11 F2 N O3 -","- C32 H44 F8 N4 O12 -","4","1","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Martins, Jose C.; Kuprov, Ilya; Sinnaeve, Davy; Linclau, Bruno","Synthesis and Conformational Properties of 3,4-Difluoro-l-prolines.","The Journal of organic chemistry","2019","84","6","3100","3120","10.1021/acs.joc.8b02920","","x-ray","0.71073","MoKα","","0.0329","0.0315","","","0.0814","0.0829","","","","","","1.056","","","","has coordinates","222479","2020-10-21","18:00:00",""
"4033905","8.8181","0.0005","10.3879","0.0006","18.1295","0.001","90","","90","","90","","1660.69","0.16","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F2 N O4 -","- C17 H21 F2 N O4 -","- C68 H84 F8 N4 O16 -","4","1","","Hofman, Gert-Jan; Ottoy, Emile; Light, Mark E.; Kieffer, Bruno; Martins, Jose C.; Kuprov, Ilya; Sinnaeve, Davy; Linclau, Bruno","Synthesis and Conformational Properties of 3,4-Difluoro-l-prolines.","The Journal of organic chemistry","2019","84","6","3100","3120","10.1021/acs.joc.8b02920","","x-ray","1.54187","CuKα","","0.0321","0.0302","","","0.0721","0.0733","","","","","","1.034","","","","has coordinates","222481","2020-10-21","18:00:00",""
"4033909","6.9388","0.0001","13.9009","0.0002","23.9512","0.0004","90","","90","","90","","2310.23","0.06","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N4 O12 -","- C23 H24 N4 O12 -","- C92 H96 N16 O48 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0373","0.0316","","0.0784","0.076","0.0784","","","","","","1.0022","","","","has coordinates","222485","2020-10-21","18:00:00",""
"4033912","8.2756","0.0002","11.1263","0.0004","14.685","0.0005","90","","90","","90","","1352.15","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N -","- C15 H18 Br N -","- C60 H72 Br4 N4 -","4","1","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.0366","0.0286","","0.0636","0.0604","0.0636","","","","","","1.015","","","","has coordinates","222488","2020-10-21","18:00:00",""
"4033915","10.47","0.0001","20.6793","0.0003","22.5086","0.0004","90","","90","","90","","4873.39","0.12","200","","200","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O8 S -","- C26 H27 N O8 S -","- C208 H216 N8 O64 S8 -","8","2","","Lan, Ping; Banwell, Martin G.; Willis, Anthony C.","Application of Electrocyclic Ring-Opening and Desymmetrizing Nucleophilic Trappings of meso-6,6-Dibromobicyclo[3.1.0]hexanes to Total Syntheses of Crinine and Haemanthamine Alkaloids.","The Journal of organic chemistry","2019","84","6","3431","3466","10.1021/acs.joc.9b00018","","","0.71073","MoKα","","0.063","0.0417","","0.0905","0.0822","0.0905","","","","","","0.9746","","","","has coordinates","222491","2020-10-21","18:00:00",""
"4033920","9.3745","0.0004","13.6791","0.0005","19.4916","0.0007","90","","90","","90","","2499.5","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl (3S,5’S)-5-bromo-2-oxo-1’-phenyl-5’-(p-tolyl)-spiro[indoline-3,2’-pyrrolidine]-3’,3’-dicarboxylate","","- C28 H25 Br N2 O5 -","- C28 H25 Br N2 O5 -","- C112 H100 Br4 N8 O20 -","4","1","","Akaev, Andrey A.; Bezzubov, Stanislav I.; Desyatkin, Victor G.; Vorobyeva, Nataliya S.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Stereocontrolled [3+2] Cycloaddition of Donor-Acceptor Cyclopropanes to Iminooxindoles: Access to Spiro[oxindole-3,2'-pyrrolidines].","The Journal of organic chemistry","2019","84","6","3340","3356","10.1021/acs.joc.8b03208","","x-ray","0.71073","MoKα","","0.0539","0.0384","","","0.0731","0.0781","","","","","","1.032","","","","has coordinates","222496","2020-10-21","18:00:00",""
"4033942","8.1343","0.0004","11.9258","0.0006","18.2918","0.001","90","","90","","90","","1774.45","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 Br N2 O6 -","- C20 H13 Br N2 O6 -","- C80 H52 Br4 N8 O24 -","4","1","","Suresh, Alati; Baiju, Thekke V.; Kumar, Tarun; Namboothiri, Irishi N. N.","Synthesis of Spiro- and Fused Heterocycles via (4+4) Annulation of Sulfonylphthalide with o-Hydroxystyrenyl Derivatives.","The Journal of organic chemistry","2019","84","6","3158","3168","10.1021/acs.joc.8b03039","","x-ray","0.71073","MoKα","","0.036","0.0315","","","0.0689","0.071","","","","","","1.0493","","","","has coordinates","222516","2020-10-21","18:00:00",""
"4033953","9.0692","0.0009","9.9319","0.0008","15.9479","0.0014","90","","90","","90","","1436.5","0.2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","","Sengoku, Tetsuya; Shirai, Anna; Takano, Ayaka; Inuzuka, Toshiyasu; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Divergent Synthesis of Methylene Lactone- and Methylene Lactam-Based Spiro Compounds: Utility of Amido-Functionalized γ-Hydroxylactam as a Precursor for Cytotoxic <i>N</i>,<i>O</i>- and <i>N</i>,<i>N</i>-Spiro Compounds.","The Journal of organic chemistry","2019","84","19","12532","12541","10.1021/acs.joc.9b02038","","","0.71075","MoKα","","0.0498","0.042","","","0.1078","0.1184","","","","","","1.042","","","","has coordinates","222528","2020-10-21","18:00:00",""
"4033965","10.1757","0.0002","10.8768","0.0003","13.9556","0.0004","90","","90","","90","","1544.59","0.07","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F N2 -","- C20 H17 F N2 -","- C80 H68 F4 N8 -","4","1","","Guan, Xu-Kai; Zhang, Heng; Gao, Ji-Gang; Sun, Dong-Yang; Qin, Xiang-Shuo; Jiang, Guo-Feng; Zhang, Guang-Liang; Zhang, Suoqin","Asymmetric Synthesis of 1,1,1-Triarylethanes by Chiral Imidodiphosphoric Acid Catalyzed Nucleophilic Addition of Pyrrole and Indoles to 3-Vinylindoles.","The Journal of organic chemistry","2019","84","19","12562","12572","10.1021/acs.joc.9b02024","","","0.71073","MoKα","","0.0372","0.0326","","","0.077","0.0814","","","","","","1.079","","","","has coordinates","222540","2020-10-21","18:00:00",""
"4033996","7.7353","0.0003","12.3699","0.0004","17.0299","0.0006","90","","90","","90","","1629.5","0.1","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O7 S -","- C14 H21 N O7 S -","- C56 H84 N4 O28 S4 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","0.71073","MoKα","","0.0242","0.0235","","0.0593","0.0588","0.0593","","","","","","1.0122","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4033997","17.1318","0.0007","11.3992","0.0005","7.7486","0.0003","90","","90","","90","","1513.21","0.11","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O7 S -","- C13 H19 N O7 S -","- C52 H76 N4 O28 S4 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","0.71073","MoKα","","0.0317","0.0298","","0.0779","0.0764","0.0779","","","","","","1.0164","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4033998","6.0414","0.0001","18.1188","0.0004","32.9664","0.0006","90","","90","","90","","3608.6","0.12","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","2","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0285","0.0268","","0.0622","0.0604","0.0621","","","","","","0.9999","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4033999","7.9339","0.0002","9.5184","0.0002","50.1703","0.0012","90","","90","","90","","3788.76","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C160 H200 N8 O40 -","8","2","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0401","0.0388","","0.0737","0.0735","0.0737","","","","","","0.9965","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034000","7.4709","0.0002","9.7","0.0003","26.3803","0.0006","90","","90","","90","","1911.72","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0276","0.0265","","0.0706","0.0695","0.0706","","","","","","1.0006","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034001","8.5022","0.0001","9.5737","0.0001","21.0075","0.0003","90","","90","","90","","1709.96","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0347","0.0339","","0.0923","0.0907","0.0923","","","","","","1.0054","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034003","7.8667","0.0001","8.4699","0.0001","25.7707","0.0003","90","","90","","90","","1717.11","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O8 S2 -","- C13 H19 N O8 S2 -","- C52 H76 N4 O32 S8 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0342","0.0339","","0.0886","0.0881","0.0886","","","","","","1.0094","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034006","6.8792","0.0001","9.6131","0.0001","27.6203","0.0004","90","","90","","90","","1826.54","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O5 S -","- C19 H23 N O5 S -","- C76 H92 N4 O20 S4 -","4","1","","Bagum, Halima; Christensen, Kirsten E.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Moloney, Mark G.","Synthetic Access to 3-Substituted Pyroglutamic Acids from Tetramate Derivatives of Serine, Threonine, <i>allo</i>-Threonine, and Cysteine.","The Journal of organic chemistry","2019","84","16","10257","10279","10.1021/acs.joc.9b01432","","","1.54184","CuKα","","0.0224","0.0219","","0.0566","0.0561","0.0566","","","","","","0.9954","","","","has coordinates","222565","2020-10-21","18:00:00",""
"4034011","13.207","0.003","13.296","0.003","34.839","0.007","90","","90","","90","","6118","2","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H30 Br N5 O4 -","- C33 H30 Br N5 O4 -","- C264 H240 Br8 N40 O32 -","8","2","","Lin, Ye; Zhao, Bo-Liang; Du, Da-Ming","Bifunctional Squaramide-Catalyzed Asymmetric [3 + 2] Cyclization of 2-(1-Methyl-2-oxoindolin-3-yl)malononitriles with Unsaturated Pyrazolones To Construct Spirooxindole-Fused Spiropyrazolones.","The Journal of organic chemistry","2019","84","16","10209","10220","10.1021/acs.joc.9b01268","","","0.71073","MoKα","","0.0528","0.0461","","","0.095","0.0991","","","","","","1.136","","","","has coordinates","222570","2020-10-21","18:00:00",""
"4034024","7.0599","0.0001","15.7538","0.0002","20.8421","0.0003","90","","90","","90","","2318.06","0.06","180","0.1","180","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br N O2 S -","- C27 H24 Br N O2 S -","- C108 H96 Br4 N4 O8 S4 -","4","1","","Li, Chen-Long; Yu, Zhi-Xiang","Asymmetric Synthesis of Azepine-Fused Cyclobutanes from Yne-Methylenecyclopropanes Involving Cyclopropanation/C-C Cleavage/Wagner-Meerwein Rearrangement and Reaction Mechanism.","The Journal of organic chemistry","2019","84","16","9913","9928","10.1021/acs.joc.9b01071","","x-ray","0.71073","MoKα","","0.0273","0.0253","","","0.0659","0.0669","","","","","","1.032","","","","has coordinates","222584","2020-10-21","18:00:00",""
"4034031","5.3084","0.0003","14.0286","0.0008","25.1623","0.0013","90","","90","","90","","1873.82","0.18","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O8 -","- C18 H22 N2 O8 -","- C72 H88 N8 O32 -","4","1","","Chang, Zong; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","Stereocontrolled Preparation of Diversely Trifunctionalized Cyclobutanes.","The Journal of organic chemistry","2019","84","16","10518","10525","10.1021/acs.joc.9b01463","","x-ray","1.54178","CuKα","","0.0295","0.0271","","","0.0651","0.0662","","","","","","1.033","","","","has coordinates","222591","2020-10-21","18:00:00",""
"4034034","4.937","0.0001","14.7611","0.0004","17.1017","0.0004","90","","90","","90","","1246.3","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Sen, Chiranjit; Sahoo, Tapan; Singh, Harshvardhan; Suresh, Eringathodi; Ghosh, Subhash Chandra","Visible Light-Promoted Photocatalytic C-5 Carboxylation of 8-Aminoquinoline Amides and Sulfonamides via a Single Electron Transfer Pathway.","The Journal of organic chemistry","2019","84","16","9869","9896","10.1021/acs.joc.9b00942","","","0.71073","MoKα","","0.0295","0.0287","","","0.075","0.0758","","","","","","1.048","","","","has coordinates","222594","2020-10-21","18:00:00",""
"4034050","7.0218","0.0015","11.174","0.002","13.221","0.003","90","","90","","90","","1037.3","0.4","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Bi, Hong-Yan; Du, Min; Pan, Cheng-Xue; Xiao, Yuhong; Su, Gui-Fa; Mo, Dong-Liang","Nickel(II)-Catalyzed [5 + 1] Annulation of 2-Carbonyl-1-propargylindoles with Hydroxylamine To Synthesize Pyrazino[1,2-<i>a</i>]indole-2-oxides in Water.","The Journal of organic chemistry","2019","84","16","9859","9868","10.1021/acs.joc.9b00784","","","0.71073","MoKα","","0.0442","0.0355","","","0.0923","0.1001","","","","","","1.041","","","","has coordinates","222610","2020-10-21","18:00:00",""
"4034051","10.2715","0.0008","16.4258","0.0014","18.109","0.002","90","","90","","90","","3055.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 Cl N2 O3 -","- C36 H35 Cl N2 O3 -","- C144 H140 Cl4 N8 O12 -","4","1","","Lu, Hong; Zhang, Huan-Xin; Tan, Chang-Yin; Liu, Jin-Yu; Wei, Hao; Xu, Peng-Fei","One-Pot Asymmetric Synthesis of Spiropyrazolone-Linked Cyclopropanes and Benzofurans through a General Michael Addition/Chlorination/Nucleophilic Substitution Sequence.","The Journal of organic chemistry","2019","84","16","10292","10305","10.1021/acs.joc.9b01454","","","0.71073","MoKα","","0.0785","0.0515","","","0.0956","0.1126","","","","","","1.05","","","","has coordinates","222611","2020-10-21","18:00:00",""
"4034056","13.8238","0.001","16.1894","0.0012","31.377","0.002","90","","90","","90","","7022.1","0.9","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H72 Cl2 N6 O22 Si2 -","- C60 H72 Cl2 N6 O22 Si2 -","- C240 H288 Cl8 N24 O88 Si8 -","4","1","","Wang, Biao; Wang, Xiao-Hui; Huang, Wei; Zhou, Jin; Zhu, Hong-Ping; Peng, Cheng; Han, Bo","Protecting Group-Directed Diastereodivergent Synthesis of Chiral Tetrahydronaphthalene-Fused Spirooxindoles via Bifunctional Tertiary Amine Catalysis.","The Journal of organic chemistry","2019","84","16","10349","10361","10.1021/acs.joc.9b01501","","","0.71073","MoKα","","0.1613","0.0456","","","0.0985","0.1229","","","","","","0.886","","","","has coordinates,has disorder","222616","2020-10-21","18:00:00",""
"4034072","6.4889","0.0004","7.9019","0.0006","43.923","0.003","90","","90","","90","","2252.1","0.3","150","","150","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N3 -","- C31 H23 N3 -","- C124 H92 N12 -","4","1","","Benzai, Amal; Shi, Xinzhe; Derridj, Fazia; Roisnel, Thierry; Doucet, Henri; Soulé, Jean-François","Late-Stage Diversification of Imidazole-Based Pharmaceuticals through Pd-Catalyzed Regioselective C-H Bond Arylations.","The Journal of organic chemistry","2019","84","20","13135","13143","10.1021/acs.joc.9b01469","","x-ray","0.71073","MoKα","","0.0878","0.0752","","","0.2019","0.21","","","","","","1.058","","","","has coordinates","222632","2020-10-21","18:00:00",""
"4034080","9.4331","0.0002","12.4697","0.0004","18.5213","0.0005","90","","90","","90","","2178.62","0.1","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O5 S -","- C25 H22 N2 O5 S -","- C100 H88 N8 O20 S4 -","4","1","","Sun, Manman; Wu, Haijian; Xia, Xiangyu; Chen, Weida; Wang, Zhiming; Yang, Jianguo","Asymmetric Palladium-Catalyzed C-H Functionalization Cascade for Synthesis of Chiral 3,4-Dihydroisoquinolones.","The Journal of organic chemistry","2019","84","20","12835","12847","10.1021/acs.joc.9b01372","","","0.71073","MoKα","","0.035","0.0313","","","0.0773","0.0805","","","","","","1.049","","","","has coordinates","222640","2020-10-21","18:00:00",""
"4034091","7.3494","0.0002","15.8182","0.0003","15.8765","0.0003","90","","90","","90","","1845.71","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cp*RhCl(4-ClPhPy)","","","- C21 H22 Cl2 N Rh -","- C21 H22 Cl2 N Rh -","- C84 H88 Cl8 N4 Rh4 -","4","1","","VanderWeide, Andrew I.; Brennessel, William W.; Jones, William D.","Reversible Concerted Metalation-Deprotonation C-H Bond Activation by [Cp*RhCl<sub>2</sub>]<sub>2</sub>.","The Journal of organic chemistry","2019","84","20","12960","12965","10.1021/acs.joc.9b01716","","x-ray","1.54184","CuKα","","0.0492","0.0466","","","0.134","0.1368","","","","","","1.085","","","","has coordinates,has disorder","222651","2020-10-21","18:00:00",""
"4034116","8.6776","0.0003","10.6049","0.0003","10.8506","0.0004","90","","90","","90","","998.53","0.06","150","2","150","2","","","","","","","Synthesized by Dr. Jiri Kaleta","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 I N2 -","- C8 H11 I N2 -","- C32 H44 I4 N8 -","4","1","","Kaleta, Jiří; Bastien, Guillaume; Wen, Jin; Dračínský, Martin; Tortorici, Edward; Císařová, Ivana; Beale, Paul D.; Rogers, Charles T.; Michl, Josef","Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris( o-phenylene)cyclotriphosphazene.","The Journal of organic chemistry","2019","84","13","8449","8467","10.1021/acs.joc.9b00553","","","0.71073","MoKα","","0.0247","0.0211","","","0.0446","0.046","","","","","","1.053","","","","has coordinates","222674","2020-10-21","18:00:00",""
"4034124","9.0034","0.0007","15.0541","0.0013","17.4228","0.0014","90","","90","","90","","2361.5","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 B O P -","- C24 H36 B O P -","- C96 H144 B4 O4 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.0915","0.0483","","","0.0952","0.1093","","","","","","1.043","","","","has coordinates","222682","2020-10-21","18:00:00",""
"4034125","10.5199","0.0009","14.3662","0.0012","15.8505","0.0014","90","","90","","90","","2395.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 O2 P -","- C26 H37 O2 P -","- C104 H148 O8 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1025","0.05","","","0.0889","0.1031","","","","","","1.008","","","","has coordinates","222683","2020-10-21","18:00:00",""
"4034132","8.5527","0.0007","13.8487","0.0011","18.3984","0.0016","90","","90","","90","","2179.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 B O2 P -","- C22 H32 B O2 P -","- C88 H128 B4 O8 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.061","0.04","","","0.086","0.0956","","","","","","1.076","","","","has coordinates","222690","2020-10-21","18:00:00",""
"4034134","7.587","0.0007","17.8366","0.0014","19.0669","0.0015","90","","90","","90","","2580.3","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 B O P -","- C26 H40 B O P -","- C104 H160 B4 O4 P4 -","4","1","","Zhang, Yu; Nie, Shao-Zhen; Ye, Jing-Jing; Wang, Ji-Ping; Zhou, Meng-Meng; Zhao, Chang-Qiu; Li, Qiang","Functional Phosphine Derivatives Having Stationary and Flexible Chiralities: Their Preparation and Chirality Controlling.","The Journal of organic chemistry","2019","84","13","8423","8439","10.1021/acs.joc.9b00346","","","0.71073","MoKα","","0.1438","0.0618","","","0.1376","0.1686","","","","","","1.006","","","","has coordinates","222692","2020-10-21","18:00:00",""
"4034162","7.5297","0.0006","18.5627","0.0015","18.726","0.0015","90","","90","","90","","2617.4","0.4","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O7 -","- C30 H32 O7 -","- C120 H128 O28 -","4","1","","Chi, Jun; Wei, Shanshan; Gao, Hongliang; Xu, Dingqiao; Zhang, Lina; Yang, Lei; Xu, Wenjun; Luo, Jun; Kong, Lingyi","Diverse Chemosensitizing 8,9-Secolindenane-Type Sesquiterpenoid Oligomers and Monomers from <i>Sarcandra glabra</i>.","The Journal of organic chemistry","2019","84","14","9117","9126","10.1021/acs.joc.9b00986","","","1.54184","CuKα","","0.0279","0.0278","","","0.071","0.0711","","","","","","1.074","","","","has coordinates","222713","2020-10-21","18:00:00",""
"4034186","8.96693","0.00009","16.838","0.0002","18.4036","0.0003","90","","90","","90","","2778.67","0.06","139.1","0.2","139.1","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 N2 O4 Si -","- C29 H36 N2 O4 Si -","- C116 H144 N8 O16 Si4 -","4","1","","Li, Xiang; Chen, Fei-Yu; Kang, Jing-Wen; Zhou, Jin; Peng, Cheng; Huang, Wei; Zhou, Mu-Ke; He, Gu; Han, Bo","Stereoselective Assembly of Multifunctional Spirocyclohexene Pyrazolones That Induce Autophagy-Dependent Apoptosis in Colorectal Cancer Cells.","The Journal of organic chemistry","2019","84","14","9138","9150","10.1021/acs.joc.9b01098","","x-ray","1.54184","CuKα","","0.0582","0.0552","","","0.1337","0.1371","","","","","","1.054","","","","has coordinates","222728","2020-10-21","18:00:00",""
"4034199","6.7116","0.0004","13.2895","0.0008","21.395","0.0012","90","","90","","90","","1908.3","0.19","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O3 -","- C20 H28 N2 O3 -","- C80 H112 N8 O12 -","4","1","","Rao, Peirong; Hu, Jialei; Xuan, Jun; Ding, Hanfeng","Total Synthesis of (-)-Pavidolide B: A Ring Contraction Strategy.","The Journal of organic chemistry","2019","84","14","9385","9392","10.1021/acs.joc.9b01308","","","0.71073","MoKα","","0.0698","0.0531","","","0.1479","0.1626","","","","","","1.057","","","","has coordinates","222741","2020-10-21","18:00:00",""
"4034217","5.6465","0.0008","10.1339","0.0015","31.872","0.005","90","","90","","90","","1823.7","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 N3 O -","- C26 H17 N3 O -","- C104 H68 N12 O4 -","4","1","","Jin, Ying-Ying; Fang, Qi","Indole-Fused Acridone: Synthesis, Structures, Proton Transfer, and Hole-Transport Properties.","The Journal of organic chemistry","2019","84","7","3832","3842","10.1021/acs.joc.8b02939","","","0.71073","MoKα","","0.1317","0.0772","","","0.1929","0.2199","","","","","","0.929","","","","has coordinates,has disorder","222760","2020-10-21","18:00:00",""
"4034221","5.5694","0.0001","16.5355","0.0004","30.0961","0.0006","90","","90","","90","","2771.63","0.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 F3 N S -","- C16 H10 F3 N S -","- C128 H80 F24 N8 S8 -","8","2","","Qiu, Yi-Feng; Niu, Yue-Jie; Wei, Xi; Cao, Bao-Qian; Wang, Xi-Cun; Quan, Zheng-Jun","AgSCF<sub>3</sub>/Na<sub>2</sub>S<sub>2</sub>O<sub>8</sub>-Promoted Trifluoromethylthiolation/Cyclization of o-Propargyl Arylazides/ o-Alkynyl Benzylazides: Synthesis of SCF<sub>3</sub>-Substituted Quinolines and Isoquinolines.","The Journal of organic chemistry","2019","84","7","4165","4178","10.1021/acs.joc.9b00181","","","0.71073","MoKα","","0.0427","0.0279","","","0.0606","0.0631","","","","","","0.954","","","","has coordinates","222764","2020-10-21","18:00:00",""
"4034226","8.5651","0.0003","9.8558","0.0003","14.1385","0.0005","90","","90","","90","","1193.51","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 Br4 -","- C9 H12 Br4 -","- C36 H48 Br16 -","4","1","","Gunther, Michael J.; Pavlović, Radoslav Z; Fernandez, Joseph P.; Zhiquan, Lei; Gallucci, Judith; Hadad, Christopher M.; Badjić, Jovica D","Stereo- and Regioselective Synthesis of Molecular Baskets.","The Journal of organic chemistry","2019","84","7","4392","4401","10.1021/acs.joc.9b00330","","x-ray","0.71073","MoKα","","0.0177","0.0172","","","0.0418","0.042","","","","","","1.178","","","","has coordinates","222769","2020-10-21","18:00:00",""
"4034248","8.10978","0.00005","9.41535","0.00005","24.11706","0.00015","90","","90","","90","","1841.49","0.019","123","2","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 B F4 I N3 -","- C17 H17 B F4 I N3 -","- C68 H68 B4 F16 I4 N12 -","4","1","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0237","0.0236","","","0.0611","0.0612","","","","","","1.051","","","","has coordinates,has disorder","222791","2020-10-21","18:00:00",""
"4034250","7.5236","0.0001","14.6973","0.0003","19.9237","0.0003","90","","90","","90","","2203.1","0.06","123","2","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F3 I N4 O5 S -","- C18 H16 F3 I N4 O5 S -","- C72 H64 F12 I4 N16 O20 S4 -","4","1","","Kaasik, Mikk; Metsala, Andrus; Kaabel, Sandra; Kriis, Kadri; Järving, Ivar; Kanger, Tõnis","Halo-1,2,3-triazolium Salts as Halogen Bond Donors for the Activation of Imines in Dihydropyridinone Synthesis.","The Journal of organic chemistry","2019","84","7","4294","4303","10.1021/acs.joc.9b00248","","x-ray","1.54184","CuKα","","0.0474","0.0448","","","0.1146","0.1172","","","","","","1.038","","","","has coordinates","222793","2020-10-21","18:00:00",""
"4034258","8.0793","0.0001","8.1611","0.0001","20.7538","0.0003","90","","90","","90","","1368.42","0.03","200","1","200","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Selmani, Aymane; Serpier, Fabien; Darses, Sylvain","From Tetrahydrofurans to Tetrahydrobenzo[ d]oxepines via a Regioselective Control of Alkyne Insertion in Rhodium-Catalyzed Arylative Cyclization.","The Journal of organic chemistry","2019","84","7","4566","4574","10.1021/acs.joc.9b00442","","","1.54178","CuKα","","0.0312","0.0311","","","0.0946","0.0948","","","","","","1.102","","","","has coordinates","222801","2020-10-21","18:00:00",""
"4034259","7.4815","0.0002","12.4851","0.0002","24.3339","0.0005","90","","90","","90","","2272.96","0.08","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N O5 -","- C27 H25 N O5 -","- C108 H100 N4 O20 -","4","1","","Selmani, Aymane; Serpier, Fabien; Darses, Sylvain","From Tetrahydrofurans to Tetrahydrobenzo[ d]oxepines via a Regioselective Control of Alkyne Insertion in Rhodium-Catalyzed Arylative Cyclization.","The Journal of organic chemistry","2019","84","7","4566","4574","10.1021/acs.joc.9b00442","","","1.54178","CuKα","","0.0323","0.0306","","","0.0822","0.084","","","","","","1.059","","","","has coordinates,has disorder","222802","2020-10-21","18:00:00",""
"4034267","8.05511","0.00005","11.64625","0.00008","18.10204","0.0001","90","","90","","90","","1698.19","0.018","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B N P -","- C17 H25 B N P -","- C68 H100 B4 N4 P4 -","4","1","","Lemouzy, Sébastien; Membrat, Romain; Olivieri, Enzo; Jean, Marion; Albalat, Muriel; Nuel, Didier; Giordano, Laurent; Hérault, Damien; Buono, Gérard","Umpolung Reactivity of in Situ Generated Phosphido-Boranes: An Entry to P-Stereogenic Aminophosphine-Boranes.","The Journal of organic chemistry","2019","84","7","4551","4557","10.1021/acs.joc.9b00333","","x-ray","1.54184","CuKα","","0.0352","0.0349","","","0.0916","0.0919","","","","","","1.102","","","","has coordinates","222810","2020-10-21","18:00:00",""
"4034276","5.6069","0.0002","8.4799","0.0003","32.8891","0.0012","90","","90","","90","","1563.74","0.1","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Cl N O3 -","- C15 H19 Cl N O3 -","- C60 H76 Cl4 N4 O12 -","4","1","","Achary, Raghavendra; Kim, Hyeong Rae; Lee, Hyeon-Kyu","Stereoselective Synthesis of Highly Functionalized 5- and 6-Membered Aminocyclitols Starting with a Readily Available 2-Azetidinone.","The Journal of organic chemistry","2019","84","7","4263","4272","10.1021/acs.joc.9b00239","","","0.71073","MoKα","","0.068","0.0534","","","0.1227","0.1297","","","","","","1.057","","","","has coordinates","222819","2020-10-21","18:00:00",""
"4034289","9.75667","0.0001","13.67134","0.00011","14.32506","0.00012","90","","90","","90","","1910.77","0.03","299.18","0.1","299.18","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N3 O3 -","- C21 H21 N3 O3 -","- C84 H84 N12 O12 -","4","1","","Angyal, Anikó; Demjén, András; Harmat, Veronika; Wölfling, János; Puskás, László G; Kanizsai, Iván","1,3-Dipolar Cycloaddition of Isatin-Derived Azomethine Ylides with 2 H-Azirines: Stereoselective Synthesis of 1,3-Diazaspiro[bicyclo[3.1.0]hexane]oxindoles.","The Journal of organic chemistry","2019","84","7","4273","4281","10.1021/acs.joc.9b00242","","","1.54184","CuKα","","0.0317","0.0311","","","0.082","0.0833","","","","","","1.062","","","","has coordinates","222832","2020-10-21","18:00:00",""
"4034292","10.9442","0.0001","12.5152","0.0001","18.8958","0.0002","90","","90","","90","","2588.14","0.04","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 B N O4 -","- C27 H38 B N O4 -","- C108 H152 B4 N4 O16 -","4","1","","Han, Suna; Shen, Xin; Kong, Duanyang; Zi, Guofu; Hou, Guohua; Zhang, Jiaxin","Cu-Catalyzed Asymmetric Hydroboration of Naphthylallylic Compounds for Enantioselective Synthesis of Chiral Boronates.","The Journal of organic chemistry","2019","84","7","4318","4329","10.1021/acs.joc.9b00289","","x-ray","1.54184","CuKα","","0.0333","0.0302","","","0.0732","0.0741","","","","","","1.134","","","","has coordinates","222835","2020-10-21","18:00:00",""
"4034294","5.725","0.004","16.2","0.012","20.626","0.015","90","","90","","90","","1913","2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Zhang, Yu-Fang; Duan, Wen-Di; Chen, Jingjing; Hu, Youhong","Base-Promoted Cascade Reactions of 3-(1-Alkynyl)chromones with Pyridinium Ylides to Chromeno[2,3- d]azepine Derivatives.","The Journal of organic chemistry","2019","84","7","4467","4472","10.1021/acs.joc.8b03210","","","0.71073","MoKα","","0.1717","0.0872","","","0.2134","0.2746","","","","","","1.013","","","","has coordinates","222837","2020-10-21","18:00:00",""
"4034311","6.8288","0.0005","10.6374","0.0008","29.546","0.0015","90","","90","","90","","2146.2","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 I O4 -","- C24 H19 I O4 -","- C96 H76 I4 O16 -","4","1","","Reddy, Reddy Rajasekhar; Panda, Shibaram; Ghorai, Prasanta","Enantioselective Synthesis of Cyclohexadienone Containing Spiroketals via DyKat Ketalization/oxa-Michael Addition Cascade.","The Journal of organic chemistry","2019","84","9","5357","5368","10.1021/acs.joc.9b00371","","","0.71073","MoKα","","0.1057","0.055","","","0.1061","0.1218","","","","","","1.028","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034336","5.80118","0.00004","13.5476","0.00006","21.7017","0.0001","90","","90","","90","","1705.58","0.016","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C76 H84 Cl4 N8 O4 -","4","1","","Rokade, Balaji V.; Guiry, Patrick J.","Enantioselective Catalytic Asymmetric A3 Coupling with Phosphino-Imidazoline Ligands.","The Journal of organic chemistry","2019","84","9","5763","5772","10.1021/acs.joc.9b00728","","","1.54184","CuKα","","0.0282","0.0277","","","0.0758","0.0763","","","","","","1.104","","","","has coordinates","222875","2020-10-21","18:00:00",""
"4034337","7.1461","0.0003","16.5305","0.0007","16.9667","0.0008","90","","90","","90","","2004.25","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O5 S -","- C19 H26 O5 S -","- C76 H104 O20 S4 -","4","1","","Hazarika, Hemanta; Neog, Kashmiri; Sharma, Abhilash; Das, Babulal; Gogoi, Pranjal","Three-Component Coupling Reactions of Aryne, DMSO, and Activated Alkyne: Stereoselective Synthesis of 2-[( o-Methylthio)aryloxy]-Substituted Dialkyl Maleates.","The Journal of organic chemistry","2019","84","9","5846","5854","10.1021/acs.joc.9b00090","","","0.71073","MoKα","","0.0504","0.0367","","","0.0763","0.0818","","","","","","0.937","","","","has coordinates","222876","2020-10-21","18:00:00",""
"4034338","9.38","0.001","11.273","0.0011","25.44","0.003","90","","90","","90","","2690","0.5","300","2","300.27","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O5 S -","- C27 H30 N2 O5 S -","- C108 H120 N8 O20 S4 -","4","1","","Porey, Arka; Santra, Surojit; Guin, Joyram","Highly Enantioselective Synthesis of Functionalized Glutarimide Using Oxidative N-Heterocyclic Carbene Catalysis: A Formal Synthesis of (-)-Paroxetine.","The Journal of organic chemistry","2019","84","9","5313","5327","10.1021/acs.joc.9b00320","","","0.71073","MoKα","","0.0803","0.0598","","","0.1382","0.1483","","","","","","1.052","","","","has coordinates","222877","2020-10-21","18:00:00",""
"4034353","8.7598","0.0003","11.9832","0.0003","16.0074","0.0004","90","","90","","90","","1680.3","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F N2 O4 S -","- C17 H15 F N2 O4 S -","- C68 H60 F4 N8 O16 S4 -","4","1","","Zhao, Jianbo; Li, Ya; Chen, Ling-Yan; Ren, Xinfeng","Enantioselective Mannich Reactions of 3-Fluorooxindoles with Cyclic N-Sulfamidate Aldimines.","The Journal of organic chemistry","2019","84","9","5099","5108","10.1021/acs.joc.9b00007","","","0.71073","MoKα","","0.0386","0.0347","","","0.0907","0.0944","","","","","","1.039","","","","has coordinates","222891","2020-10-21","18:00:00",""
"4034358","6.3002","0.0004","12.8333","0.0006","22.1179","0.001","90","","90","","90","","1788.28","0.16","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Li, Geng; Li, Heng; Zhang, Quan; Yang, Min; Gu, Yu-Cheng; Liang, Lin-Fu; Tang, Wei; Guo, Yue-Wei","Rare Cembranoids from Chinese Soft Coral Sarcophyton ehrenbergi: Structural and Stereochemical Studies.","The Journal of organic chemistry","2019","84","9","5091","5098","10.1021/acs.joc.9b00030","","","1.54178","CuKα","","0.0322","0.0301","","","0.0801","0.0815","","","","","","1.048","","","","has coordinates","222896","2020-10-21","18:00:00",""
"4034359","10.5465","0.0003","10.7385","0.0003","11.308","0.0003","90","","90","","90","","1280.67","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F3 O2 -","- C6 H7 F3 O2 -","- C48 H56 F24 O16 -","8","2","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0323","0.0288","","","0.0717","0.0731","","","","","","1.033","","","","has coordinates","222897","2020-10-21","18:00:00",""
"4034361","5.4802","0.0001","7.5663","0.0002","18.5353","0.0005","90","","90","","90","","768.56","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 F3 O3 -","- C6 H9 F3 O3 -","- C24 H36 F12 O12 -","4","1","","Quiquempoix, Lucas; Wang, Zhong; Graton, Jérôme; Latchem, Peter G.; Light, Mark; Le Questel, Jean-Yves; Linclau, Bruno","Synthesis of 2,3,4-Trideoxy-2,3,4-trifluoroglucose.","The Journal of organic chemistry","2019","84","9","5899","5906","10.1021/acs.joc.9b00310","","x-ray","0.71073","MoKα","","0.0344","0.0335","","","0.0912","0.0921","","","","","","1.066","","","","has coordinates","222899","2020-10-21","18:00:00",""
"4034369","7.5095","0.001","13.3501","0.0018","18.111","0.003","90","","90","","90","","1815.7","0.5","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N4 -","- C23 H22 N4 -","- C92 H88 N16 -","4","1","","Matsubara, Ryosuke; Kaiba, Tomoaki; Nakata, Akito; Yabuta, Tatsushi; Hayashi, Masahiko; Tsubaki, Motonari; Uchino, Takashi; Chatani, Eri","9-Aryl-3-aminocarbazole as an Environment- and Stimuli-Sensitive Fluorogen and Applications in Lipid Droplet Imaging.","The Journal of organic chemistry","2019","84","9","5535","5547","10.1021/acs.joc.9b00493","","","0.71069","MoKα","","","0.042","","","","0.0975","","","","","","1.033","","","","has coordinates","222907","2020-10-21","18:00:00",""
"4034377","5.9096","0.0002","7.6125","0.0002","47.0191","0.0011","90","","90","","90","","2115.24","0.1","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 B F2 N4 O S -","- C24 H23 B F2 N4 O S -","- C96 H92 B4 F8 N16 O4 S4 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.5418","CuKα","","0.0331","0.0307","","","0.0788","0.0806","","","","","","1.074","","","","has coordinates","222915","2020-10-21","18:00:00",""
"4034378","5.4633","0.0002","7.9239","0.0004","42.334","0.002","90","","90","","90","","1832.67","0.14","100.01","0.1","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 B F2 N3 O S2 -","- C20 H16 B F2 N3 O S2 -","- C80 H64 B4 F8 N12 O4 S8 -","4","1","","Potopnyk, Mykhaylo A.; Volyniuk, Dmytro; Luboradzki, Roman; Ceborska, Magdalena; Hladka, Iryna; Danyliv, Yan; Gražulevičius, Juozas Vidas","Application of the Suzuki-Miyaura Reaction for the Postfunctionalization of the Benzo[4,5]thiazolo[3,2- c][1,3,5,2]oxadiazaborinine Core: An Approach toward Fluorescent Dyes.","The Journal of organic chemistry","2019","84","9","5614","5626","10.1021/acs.joc.9b00566","","","1.54184","CuKα","","0.0604","0.0554","","","0.1378","0.1396","","","","","","1.065","","","","has coordinates,has disorder","222916","2020-10-21","18:00:00",""
"4034401","8.21878","0.00012","15.829","0.0002","29.2661","0.0004","90","","90","","90","","3807.38","0.09","150","0.14","150","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C180 H264 O24 -","12","3","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0464","0.0392","","","0.0888","0.0926","","","","","","1.038","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034402","5.43829","0.00016","13.3879","0.0004","16.7506","0.0004","90","","90","","90","","1219.57","0.06","150","0.14","150","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Klepp, Julian; Sadgrove, Nicholas J.; Legendre, Sarah V. A.-M.; Sumby, Christopher J.; Greatrex, Ben W.","Biomimetic Synthesis of Mitchellenes B-H from the Abundant Biological Precursor 14-Hydroxy-6,12-muuroloadien-15-oic Acid.","The Journal of organic chemistry","2019","84","15","9637","9647","10.1021/acs.joc.9b00961","","x-ray","0.71073","MoKα","","0.0546","0.0435","","","0.094","0.0986","","","","","","1.025","","","","has coordinates","222933","2020-10-21","18:00:00",""
"4034408","8.0131","0.0002","8.5786","0.0002","18.3195","0.0005","90","","90","","90","","1259.3","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C52 H56 Br4 N4 O8 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0562","0.0535","","","0.1524","0.1569","","","","","","1.065","","","","has coordinates","222939","2020-10-21","18:00:00",""
"4034412","7.39581","0.00012","9.46599","0.00017","13.8475","0.0002","90","","90","","90","","969.44","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O -","- C12 H13 N O -","- C48 H52 N4 O4 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0313","0.0312","","","0.0809","0.0811","","","","","","1.132","","","","has coordinates","222943","2020-10-21","18:00:00",""
"4034414","10.3937","0.0002","18.5331","0.0003","38.2687","0.0006","90","","90","","90","","7371.6","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H55 N O2.5 P -","- C40 H55 N O2.5 P -","- C320 H440 N8 O20 P8 -","8","2","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0513","0.048","","","0.1306","0.1335","","","","","","1.064","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4034415","8.3691","0.0002","9.9458","0.0002","22.7743","0.0005","90","","90","","90","","1895.67","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N O2 P -","- C24 H22 N O2 P -","- C96 H88 N4 O8 P4 -","4","1","","Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng","Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.","The Journal of organic chemistry","2019","84","15","9460","9473","10.1021/acs.joc.9b00875","","x-ray","1.54184","CuKα","","0.0569","0.0498","","","0.1104","0.1182","","","","","","1.007","","","","has coordinates","222946","2020-10-21","18:00:00",""
"4034419","9.0534","0.0001","11.9701","0.0002","22.0969","0.0003","90","","90","","90","","2394.64","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O6 -","- C25 H32 N2 O6 -","- C100 H128 N8 O24 -","4","1","","Josa-Culleré, Laia; Hirst, Michael G.; Lockett, Jonathan P.; Thompson, Amber L.; Moloney, Mark G.","Spirocyclic Tetramates by Sequential Knoevenagel and [1,5]-Prototropic Shift.","The Journal of organic chemistry","2019","84","15","9671","9683","10.1021/acs.joc.9b01345","","","1.5418","CuKα","","0.0329","0.0313","","0.0821","0.0805","0.0821","","","","","","0.9952","","","","has coordinates","222947","2020-10-21","18:00:00",""
"4034421","7.1712","0.0008","8.3963","0.0009","29.02","0.003","90","","90","","90","","1747.3","0.3","128","2","128","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Crystal 1","","","- C9 H8 O3 S -","- C9 H8 O3 S -","- C72 H64 O24 S8 -","8","2","","O'Hara, Chelsea; Yang, Chou-Hsun; Francis, Andrew J.; Newell, Brian S.; Wang, Haobin; Resendiz, Marino J. E.","Photocycloaddition of <i>S</i>,<i>S</i>-Dioxo-benzothiophene-2-methanol, Reactivity in the Solid State and in Solution: Mechanistic Studies and Diastereoselective Formation of Cyclobutyl Rings.","The Journal of organic chemistry","2019","84","15","9714","9725","10.1021/acs.joc.9b01354","","","0.71073","MoKα","","0.0486","0.0398","","","0.106","0.1136","","","","","","1.08","","","","has coordinates","222948","2020-10-21","18:00:00",""
"4034450","8.8126","0.0002","14.1981","0.0003","18.1609","0.0004","90","","90","","90","","2272.33","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N3 O3 -","- C26 H29 N3 O3 -","- C104 H116 N12 O12 -","4","1","","Kao, Hsin-Kai; Lin, Xin-Jie; Hong, Bor-Cherng; Yang, Van-Wei; Lee, Gene-Hsiang","Enantioselective Synthesis of Yohimbine Analogues by an Organocatalytic and Pot-Economic Strategy.","The Journal of organic chemistry","2019","84","18","12138","12147","10.1021/acs.joc.9b01193","","","1.54178","CuKα","","0.0307","0.0297","","","0.0782","0.0792","","","","","","1.031","","","","has coordinates,has disorder","222968","2020-10-21","18:00:00",""
"4034460","8.5425","0.0017","11.979","0.002","17.812","0.004","90","","90","","90","","1822.7","0.6","163","2","163.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Br F N2 O2 -","- C22 H16 Br F N2 O2 -","- C88 H64 Br4 F4 N8 O8 -","4","1","","Li, Bing-Yu; Lin, Ye; Du, Da-Ming","Organocatalytic Asymmetric Mannich Addition of 3-Fluorooxindoles to Dibenzo[<i>b</i>,<i>f</i>][1,4]oxazepines: Highly Enantioselective Construction of Tetrasubstituted C-F Stereocenters.","The Journal of organic chemistry","2019","84","18","11752","11762","10.1021/acs.joc.9b01507","","","0.71073","MoKα","","0.0457","0.043","","","0.0948","0.0967","","","","","","1.06","","","","has coordinates","222978","2020-10-21","18:00:00",""
"4034469","10.0534","0.0002","16.7674","0.0003","18.6721","0.0003","90","","90","","90","","3147.54","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 N3 O5 -","- C36 H35 N3 O5 -","- C144 H140 N12 O20 -","4","1","","Fan, Ying; Lu, Jian; Sha, Feng; Li, Qiong; Wu, Xin-Yan","Cu(I)-Catalyzed Asymmetric Mannich Reaction of Glycine Schiff Bases to Ketimines.","The Journal of organic chemistry","2019","84","18","11639","11648","10.1021/acs.joc.9b01566","","","1.54178","CuKα","","0.0378","0.0354","","","0.0958","0.0986","","","","","","1.023","","","","has coordinates","222987","2020-10-21","18:00:00",""
"4034492","7.1925","0.0001","19.211","0.0005","20.7806","0.0005","90","","90","","90","","2871.36","0.11","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H30 N2 O5 S -","- C34 H30 N2 O5 S -","- C136 H120 N8 O20 S4 -","4","1","","He, Chonglong; Li, Zhanhuan; Xu, Jianfeng; Ren, Hongjun","Asymmetric Synthesis of Spirocyclic Oxindole δ-Lactams via NHC-Catalyzed Formal [2+4] Annulation of Aliphatic Aldehydes with Oxindole-Derived α,β-Unsaturated Ketimines.","The Journal of organic chemistry","2019","84","18","12177","12186","10.1021/acs.joc.9b01760","","","0.71073","MoKα","","0.0476","0.039","","","0.091","0.0979","","","","","","1.039","","","","has coordinates","222998","2020-10-21","18:00:00",""
"4034518","7.468","0.003","10.606","0.006","12.627","0.004","90","","90","","90","","1000.1","0.8","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 Cl N O -","- C9 H16 Cl N O -","- C36 H64 Cl4 N4 O4 -","4","1","","Sokolenko, Yevhenii M.; Yurov, Yevhen Yu; Vashchenko, Bohdan V.; Hryshchuk, Oleksandr V.; Filimonova, Yuliia; Ostapchuk, Eugeniy N.; Artemenko, Artem; Zaremba, Oleg V.; Grygorenko, Oleksandr O.","Far Away from Flatland. Synthesis and Molecular Structure of Dihetera[3.3.<i>n</i>]propellanes and Trihetera[3.3.<i>n</i>]propellanes: Advanced Analogues of Morpholine/Piperazine.","The Journal of organic chemistry","2019","84","21","13908","13921","10.1021/acs.joc.9b02067","","","0.71073","MoKα","","0.0838","0.0405","","","0.0841","0.1005","","","","","","1.061","","","","has coordinates","223023","2020-10-21","18:00:00",""
"4034539","6.1765","0.0001","9.2268","0.0001","24.6586","0.0002","90","","90","","90","","1405.28","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O3 S -","- C13 H21 N O3 S -","- C52 H84 N4 O12 S4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-type Alkaloids: Evolution of a Synthetic Strategy to (-)-Daphlongamine H.","The Journal of organic chemistry","2019","84","21","14069","14091","10.1021/acs.joc.9b02223","","","1.54184","CuKα","","0.0249","0.0249","","","0.066","0.066","","","","","","1.047","","","","has coordinates","223038","2020-10-21","18:00:00",""
"4034540","6.2765","0.0001","11.7617","0.0002","28.306","0.0004","90","","90","","90","","2089.61","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 Si -","- C20 H35 N O3 Si -","- C80 H140 N4 O12 Si4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-type Alkaloids: Evolution of a Synthetic Strategy to (-)-Daphlongamine H.","The Journal of organic chemistry","2019","84","21","14069","14091","10.1021/acs.joc.9b02223","","","1.54184","CuKα","","0.0373","0.0354","","","0.0933","0.0948","","","","","","1.095","","","","has coordinates","223039","2020-10-21","18:00:00",""
"4034552","8.53","0.006","9.037","0.004","23.329","0.016","90","","90","","90","","1798.3","1.9","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 N6 O2 S2 -","- C13 H24 N6 O2 S2 -","- C52 H96 N24 O8 S8 -","4","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Beryozkina, Tetyana V.; Mazur, Dmitrii; Beliaev, Nikolai A.; Volkova, Natalia N.; Ilkin, Vladimir G.; Dehaen, Wim; Lebedev, Albert T.; Bakulev, Vasiliy A.","Water/Alkali-Catalyzed Reactions of Azides with 2-Cyanothioacetamides. Eco-Friendly Synthesis of Monocyclic and Bicyclic 1,2,3-Thiadiazole-4-carbimidamides and 5-Amino-1,2,3-triazole-4-carbothioamides.","The Journal of organic chemistry","2019","84","21","13430","13446","10.1021/acs.joc.9b01599","","","1.54184","CuKα","","0.0507","0.045","","","0.1028","0.1042","","","","","","1.038","","","","has coordinates","223051","2020-10-21","18:00:00",""
"4034554","8.153","0.0006","10.6538","0.0008","18.3193","0.0014","90","","90","","90","","1591.2","0.2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Zhang, Jing; Han, Fu-She","A Total Synthesis of (±)-Leuconodines D and E.","The Journal of organic chemistry","2019","84","21","13890","13896","10.1021/acs.joc.9b02054","","","0.71073","MoKα","","0.1082","0.1045","","","0.2425","0.2494","","","","","","1.144","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4034556","9.2943","0.0004","10.1497","0.0004","19.3054","0.0007","90","","90","","90","","1821.16","0.13","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O6 -","- C21 H18 O6 -","- C84 H72 O24 -","4","1","","Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G.","Conjugate Addition of Carbon Acids to β,γ-Unsaturated α-Keto Esters: Product Tautomerism and Applications for Asymmetric Synthesis of Benzo[<i>a</i>]phenazin-5-ol Derivatives.","The Journal of organic chemistry","2019","84","21","13824","13831","10.1021/acs.joc.9b02021","","","1.54178","CuKα","","0.0274","0.0267","","","0.07","0.0708","","","","","","1.048","","","","has coordinates","223055","2020-10-21","18:00:00",""
"4034571","13.4894","0.0001","13.8665","0.0001","22.2258","0.0002","90","","90","","90","","4157.35","0.06","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 O8 -","- C46 H64 O8 -","- C184 H256 O32 -","4","1","","Gao, Suyu; Wang, Dun; Chai, Hao; Xu, Jiamin; Li, Tianyu; Niu, Yingxue; Chen, Xinxin; Qiu, Feng; Li, Yang; Li, Hua; Chen, Lixia","Unusual <i>ent</i>-Labdane Diterpenoid Dimers and their Selective Activation of TRPV Channels.","The Journal of organic chemistry","2019","84","21","13595","13603","10.1021/acs.joc.9b01864","","x-ray","1.54184","CuKα","","0.0301","0.0294","","","0.0781","0.0788","","","","","","1.023","","","","has coordinates","223059","2020-10-21","18:00:00",""
"4034581","5.7829","0.0002","13.4141","0.0005","20.7255","0.0006","90","","90","","90","","1607.73","0.09","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Ukis, Rostyslav; Schneider, Christoph","Brønsted Acid-Catalyzed, Diastereo- and Enantioselective, Intramolecular Oxa-Diels-Alder Reaction of ortho-Quinone Methides and Unactivated Dienophiles.","The Journal of organic chemistry","2019","84","11","7175","7188","10.1021/acs.joc.9b00860","","","1.54186","CuKα","","0.0298","0.0283","","","0.0784","0.0792","","","","","","1.081","","","","has coordinates","223069","2020-10-21","18:00:00",""
"4034584","10.1187","0.0002","21.3827","0.0005","23.195","0.0006","90","","90","","90","","5018.6","0.2","102","2","102.49","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C59 H76 O2 -","- C59 H76 O2 -","- C236 H304 O8 -","4","1","","Crossman, Aaron S.; Larson, Alec T.; Shi, Jake X.; Krajewski, Sebastian M.; Akturk, Eser S.; Marshak, Michael P.","Synthesis of Sterically Hindered β-Diketones via Condensation of Acid Chlorides with Enolates.","The Journal of organic chemistry","2019","84","11","7434","7442","10.1021/acs.joc.9b00433","","","0.71073","MoKα","","0.0668","0.0466","","","0.1066","0.1165","","","","","","1.016","","","","has coordinates,has disorder","223070","2020-10-21","18:00:00",""
"4034602","7.5106","0.0004","8.1242","0.0003","46.103","0.003","90","","90","","90","","2813.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N3 O9 -","- C31 H27 N3 O9 -","- C124 H108 N12 O36 -","4","1","","Zuo, Xiong; Liu, Xiong-Li; Wang, Jun-Xin; Yao, Yi-Ming; Zhou, Yan-You; Wei, Qi-Di; Gong, Yi; Zhou, Ying","Organocatalytic Reaction of Chromone-Oxindole Synthon: Access to Chromanone-Based Spirocyclohexaneoxindoles with Five Adjacent Stereocenters.","The Journal of organic chemistry","2019","84","11","6679","6688","10.1021/acs.joc.9b00326","","x-ray","1.54184","CuKα","","0.0708","0.0673","","","0.1729","0.1753","","","","","","1.067","","","","has coordinates","223088","2020-10-21","18:00:00",""
"4034604","8.8127","0.0002","12.4251","0.0003","16.7855","0.0004","90","","90","","90","","1837.99","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N2 O4 -","- C18 H25 Cl N2 O4 -","- C72 H100 Cl4 N8 O16 -","4","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0314","0.0298","","","0.0681","0.0687","","","","","","1.069","","","","has coordinates,has disorder","223089","2020-10-21","18:00:00",""
"4034605","5.9927","0.0001","15.8308","0.0003","16.9752","0.0003","90","","90","","90","","1610.42","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl F N2 O2 -","- C16 H20 Cl F N2 O2 -","- C64 H80 Cl4 F4 N8 O8 -","4","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0401","0.036","","","0.0915","0.0938","","","","","","1.043","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034607","6.154","0.0004","14.8883","0.001","15.8902","0.001","90","","90","","90","","1455.9","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Cl N2 O2 -","- C15 H19 Cl N2 O2 -","- C60 H76 Cl4 N8 O8 -","4","1","","Amer, Mostafa Mahmoud; Abas, Hossay; Leonard, Daniel J.; Ward, John W.; Clayden, Jonathan","Amino Acid-Derived trans- N-Chloroformylimidazolidinones: Scalable, Stereoselective Synthesis, Structure, and Utility.","The Journal of organic chemistry","2019","84","11","7199","7206","10.1021/acs.joc.9b00727","","","0.71073","MoKα","","0.0316","0.0283","","","0.0651","0.0669","","","","","","1.045","","","","has coordinates","223089","2020-10-21","18:00:00",""
"4034622","6.1288","0.0012","16.1","0.003","22.181","0.004","90","","90","","90","","2188.7","0.7","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl N O4 P S -","- C19 H25 Cl N O4 P S -","- C76 H100 Cl4 N4 O16 P4 S4 -","4","1","","Li, Shi-Guang; Yuan, Minglei; Topic, Filip; Han, Zhengxu S.; Senanayake, Chris H.; Tsantrizos, Youla S.","Asymmetric Library Synthesis of P-Chiral t-Butyl-Substituted Secondary and Tertiary Phosphine Oxides.","The Journal of organic chemistry","2019","84","11","7291","7302","10.1021/acs.joc.9b00945","","x-ray","1.54178","CuKα","","0.0557","0.0468","","","0.1203","0.1308","","","","","","1.044","","","","has coordinates","223099","2020-10-21","18:00:00",""
"4034624","6.5738","0.0003","9.2172","0.0004","35.5118","0.0013","90","","90","","90","","2151.73","0.16","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl F3 N O2 S -","- C22 H23 Cl F3 N O2 S -","- C88 H92 Cl4 F12 N4 O8 S4 -","4","1","","Hou, Hong; Tang, Daliang; Li, Hengxue; Xu, Yue; Yan, Chaoguo; Shi, Yaocheng; Chen, Xiaoyun; Zhu, Shaoqun","Visible-Light-Driven Chlorotrifluoromethylative and Chlorotrichloromethylative Cyclizations of Enynes.","The Journal of organic chemistry","2019","84","11","7509","7517","10.1021/acs.joc.9b00842","","","0.71073","MoKα","","0.0514","0.0396","","","0.0912","0.096","","","","","","1.032","","","","has coordinates","223101","2020-10-21","18:00:00",""
"4034635","9.02944","0.00009","10.3803","0.0002","23.2249","0.0002","90","","90","","90","","2176.83","0.05","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,Rp)-N,N-dimethyl-1-(2-phenylferrocenyl)ethan-1-amine - phenol (1/1)","","- C26 H29 Fe N O -","- C26 H29 Fe N O -","- C104 H116 Fe4 N4 O4 -","4","1","","Plevová, Kristína; Mudráková, Brigita; Rakovský, Erik; Šebesta, Radovan","Diastereoselective Pd-Catalyzed C-H Arylation of Ferrocenylmethanamines with Arylboronic Acids or Pinacol Esters.","The Journal of organic chemistry","2019","84","11","7312","7319","10.1021/acs.joc.9b00953","","","1.54186","CuKα","","0.0309","0.0292","","","0.0699","0.0713","","","","","","1.043","","","","has coordinates","223112","2020-10-21","18:00:00",""
"4034650","9.1234","0.0001","16.3488","0.0001","37.5189","0.0003","90","","90","","90","","5596.19","0.08","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O3 -","- C33 H39 N O3 -","- C264 H312 N8 O24 -","8","2","","Yang, Guo-Hui; Zhao, Qun; Zhang, Zhi-Pei; Zheng, Han-Liang; Chen, Li; Li, Xin","Asymmetric Cycloaddition of ortho-Hydroxyphenyl-Substituted para-Quinone Methides and Enamides Catalyzed by Chiral Phosphoric Acid.","The Journal of organic chemistry","2019","84","12","7883","7893","10.1021/acs.joc.9b00749","","x-ray","1.54184","CuKα","","0.0382","0.0355","","","0.0937","0.0958","","","","","","1.046","","","","has coordinates","223127","2020-10-21","18:00:00",""
"4034651","9.7016","0.0003","11.9655","0.0003","20.8347","0.0006","90","","90","","90","","2418.59","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 N O2 S -","- C26 H37 N O2 S -","- C104 H148 N4 O8 S4 -","4","1","","Kikuchi, Yuki; Nakamura, Chisato; Matsuoka, Mizuki; Asami, Rina; Kitagawa, Osamu","Catalytic Enantioselective Synthesis of N-C Axially Chiral Sulfonamides through Chiral Palladium-Catalyzed N-Allylation.","The Journal of organic chemistry","2019","84","12","8112","8120","10.1021/acs.joc.9b00989","","","0.71073","MoKα","","0.0345","0.0299","","","0.0766","0.08","","","","","","1.06","","","","has coordinates","223128","2020-10-21","18:00:00",""
"4034662","8.6581","0.001","9.964","0.0012","23.395","0.003","90","","90","","90","","2018.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl N2 O3 S -","- C20 Cl N2 O3 S -","- C80 Cl4 N8 O12 S4 -","4","1","","Qiu, Jiashen; Wu, Di; Yuan, Lexia; Long, Pingliang; Yin, Hongquan; Chen, Fu-Xue","Organocatalyzed Asymmetric α-Thiocyanation of Oxindoles: Synthesis of Chiral Tertiary 3-Thiocyanatoxindoles.","The Journal of organic chemistry","2019","84","12","7917","7926","10.1021/acs.joc.9b00782","","","0.71073","MoKα","","0.0614","0.0539","","","0.1548","0.1666","","","","","","1.097","","","","has coordinates","223139","2020-10-21","18:00:00",""
"4034667","9.2446","0.0002","11.9262","0.0002","20.0912","0.0004","90","","90","","90","","2215.11","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br N3 O2 -","- C26 H22 Br N3 O2 -","- C104 H88 Br4 N12 O8 -","4","1","","Yang, Xiao-Chao; Liu, Meng-Meng; Mathey, François; Yang, Hua; Hua, Yuan-Zhao; Wang, Min-Can","Access to Chiral 2,5-Pyrrolidinyl Dispirooxindoles via Dinuclear Zinc-Catalyzed Asymmetric Cascade Reactions.","The Journal of organic chemistry","2019","84","12","7762","7775","10.1021/acs.joc.9b00645","","x-ray","1.54184","CuKα","","0.0348","0.0317","","","0.0799","0.0824","","","","","","1.038","","","","has coordinates","223144","2020-10-21","18:00:00",""
"4034670","8.7072","0.0001","15.9416","0.0002","18.7685","0.0003","90","","90","","90","","2605.19","0.06","170","2","169.91","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O3 -","- C30 H35 N O3 -","- C120 H140 N4 O12 -","4","1","","Wang, Jin-Rong; Jiang, Xiao-Li; Hang, Qing-Qing; Zhang, Shu; Mei, Guang-Jian; Shi, Feng","Catalytic Asymmetric Conjugate Addition of Indoles to para-Quinone Methide Derivatives.","The Journal of organic chemistry","2019","84","12","7829","7839","10.1021/acs.joc.9b00710","","","1.34139","GaKα","","0.0401","0.0349","","","0.0821","0.0858","","","","","","1.07","","","","has coordinates","223146","2020-10-21","18:00:00",""
"4034673","10.4079","0.0003","14.7042","0.0004","21.8592","0.0006","90","","90","","90","","3345.33","0.16","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C152 H192 O40 -","8","2","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Unified Enantioselective, Convergent Synthetic Approach toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Synthesis of a Series of Ineleganoloids by Oxidation-State Manipulation of the Carbocyclic Core.","The Journal of organic chemistry","2019","84","12","7722","7746","10.1021/acs.joc.9b00635","","","1.54178","CuKα","","0.0533","0.0395","","","0.078","0.0832","","","","","","1.059","","","","has coordinates","223149","2020-10-21","18:00:00",""
"4034674","6.2703","0.0009","11.2931","0.0016","23.177","0.004","90","","90","","90","","1641.2","0.4","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Unified Enantioselective, Convergent Synthetic Approach toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Synthesis of a Series of Ineleganoloids by Oxidation-State Manipulation of the Carbocyclic Core.","The Journal of organic chemistry","2019","84","12","7722","7746","10.1021/acs.joc.9b00635","","","0.71073","MoKα","","0.0538","0.0413","","","0.0809","0.0831","","","","","","1.447","","","","has coordinates","223150","2020-10-21","18:00:00",""
"4034675","6.6417","0.0003","10.7582","0.0005","22.9878","0.0011","90","","90","","90","","1642.54","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23.76 Cl0.24 O5 -","- C19 H23.757 Cl0.243 O5 -","- C76 H95.028 Cl0.972 O20 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Unified Enantioselective, Convergent Synthetic Approach toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Synthesis of a Series of Ineleganoloids by Oxidation-State Manipulation of the Carbocyclic Core.","The Journal of organic chemistry","2019","84","12","7722","7746","10.1021/acs.joc.9b00635","","","1.54178","CuKα","","0.0351","0.0336","","","0.0822","0.0831","","","","","","1.002","","","","has coordinates,has disorder","223151","2020-10-21","18:00:00",""
"4034713","6.0307","0.0001","16.4179","0.0004","22.933","0.0005","90","","90","","90","","2270.63","0.08","99.9","0.8","99.9","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N5 O3 -","- C25 H23 N5 O3 -","- C100 H92 N20 O12 -","4","1","","Wan, Qian; Li, Shiwu; Kang, Qiang; Yuan, Yaofeng; Du, Yu","Chiral-at-Metal Rh(III) Complex Catalyzed Cascade Reduction-Michael Addition Reaction.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02243","","","1.54184","CuKα","","0.0469","0.0448","","","0.117","0.1194","","","","","","1.073","","","","has coordinates","225404","2020-10-21","18:00:00",""
"4034716","6.9849","0.0002","13.9288","0.0004","18.099","0.0006","90","","90","","90","","1760.87","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 N2 O2 -","- C18 H16 Br2 N2 O2 -","- C72 H64 Br8 N8 O8 -","4","1","","Guo, Lin-E; Hong, Yuan; Zhang, Shu-Ying; Zhang, Miao; Yan, Xiao-Sheng; Cao, Jin-Lian; Li, Zhao; James, Tony D.; Jiang, Yun-Bao","Proline-Based Boronic Acid Receptors for Chiral Recognition of Glucose.","The Journal of organic chemistry","2018","83","24","15128","15135","10.1021/acs.joc.8b02425","","","1.54178","CuKα","","0.0462","0.0435","","","0.1133","0.1167","","","","","","1.058","","","","has coordinates","226245","2020-10-21","18:00:00",""
"4034724","6.4112","0.0012","8.4234","0.0015","27.491","0.005","90","","90","","90","","1484.6","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Rajesh, Manda; Singam, Maneesh Kumar Reddy; Puri, Surendra; Balasubramanian, Sridhar; Sridhar Reddy, Maddi","Nickel Catalyzed syn-Selective Aryl Nickelation and Cyclization of Aldehyde/Enone-Tethered Terminal Alkynes with Arylboronic Acids.","The Journal of organic chemistry","2018","83","24","15361","15371","10.1021/acs.joc.8b02618","","","0.71073","MoKα","","0.0423","0.0378","","","0.1004","0.1038","","","","","","1.021","","","","has coordinates","226247","2020-10-21","18:00:00",""
"4034738","8.41559","0.00015","20.3317","0.0004","21.2577","0.0004","90","","90","","90","","3637.26","0.12","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H15 Cl3 F6 O10 S4 -","- C32 H15 Cl3 F6 O10 S4 -","- C128 H60 Cl12 F24 O40 S16 -","4","1","","Takase, Ko; Noguchi, Keiichi; Nakano, Koji","[1]Benzothiophene-Fused Chiral Spiro Polycyclic Aromatic Compounds: Optical Resolution, Functionalization, and Optical Properties.","The Journal of organic chemistry","2018","83","24","15057","15065","10.1021/acs.joc.8b02301","","","1.54187","CuKα","","0.0423","0.0409","","","0.109","0.1105","","","","","","1.047","","","","has coordinates","226261","2020-10-21","18:00:00",""
"4034741","6.5102","0.0006","10.6554","0.001","14.2094","0.0013","90","","90","","90","","985.69","0.16","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 N2 O2 -","- C11 H10 N2 O2 -","- C44 H40 N8 O8 -","4","1","","Li, Chaoran; Yuan, Jingwen; Zhang, Qian; Bhujanga Rao, Chitturi; Zhang, Rui; Zhao, Yanning; Deng, Bicheng; Dong, Dewen","Oxidative Cyclization of β-Aminoacrylamides Mediated by PhIO: Chemoselective Synthesis of Isoxazoles and 2 H-Azirines.","The Journal of organic chemistry","2018","83","24","14999","15008","10.1021/acs.joc.8b02132","","","0.71073","MoKα","","0.0554","0.0447","","","0.1029","0.1099","","","","","","1.029","","","","has coordinates","226264","2020-10-21","18:00:00",""
"4034745","9.1431","0.0004","10.9188","0.0003","24.715","0.0009","90","","90","","90","","2467.34","0.16","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Cl N2 O3 S -","- C29 H23 Cl N2 O3 S -","- C116 H92 Cl4 N8 O12 S4 -","4","1","","Xu, Wei; Zhao, Jidong; Li, Xiangdong; Liu, Yuanhong","Selective [5 + 1] and [5 + 2] Cycloaddition of Ynamides or Propargyl Esters with Benzo[ d]isoxazoles via Gold Catalysis.","The Journal of organic chemistry","2018","83","24","15470","15485","10.1021/acs.joc.8b02935","","","0.71073","MoKα","","0.0709","0.0495","","","0.1075","0.12","","","","","","1.074","","","","has coordinates","226268","2020-10-21","18:00:00",""
"4034760","8.4894","0.0001","11.0722","0.0002","12.8612","0.0002","90","","90","","90","","1208.91","0.03","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Spindler, Benedikt; Kataeva, Olga; Knölker, Hans-Joachim","Enantioselective Total Synthesis and Assignment of the Absolute Configuration of the Furo[3,2- a]carbazole Alkaloid Furoclausine-B.","The Journal of organic chemistry","2018","83","24","15136","15143","10.1021/acs.joc.8b02426","","","1.54178","CuKα","","0.0281","0.0276","","","0.0763","0.0766","","","","","","1.054","","","","has coordinates","226283","2020-10-21","18:00:00",""
"4034766","12.4667","0.0003","15.7431","0.0003","33.5575","0.0007","90","","90","","90","","6586.1","0.2","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H29 Br N2 O5 S -","- C39 H29 Br N2 O5 S -","- C312 H232 Br8 N16 O40 S8 -","8","2","","Gao, Zhong-Hua; Chen, Kun-Quan; Zhang, Yan; Kong, Ling-Mei; Li, Yan; Ye, Song","Enantioselective N-Heterocyclic Carbene-Catalyzed Synthesis of Spirocyclic Oxindole-benzofuroazepinones.","The Journal of organic chemistry","2018","83","24","15225","15235","10.1021/acs.joc.8b02497","","","0.71073","MoKα","","0.1517","0.0723","","","0.1012","0.1243","","","","","","1.035","","","","has coordinates","226289","2020-10-21","18:00:00",""
"4034772","6.575","0.0003","9.8384","0.0006","28.6228","0.0015","90","","90","","90","","1851.54","0.17","100","2","99.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Chennamadhavuni, Spandan; Panek, James S.; Porco, Jr, John A; Brown, Lauren E.","Diastereodivergent Synthesis of Chiral Tetrahydropyrrolodiazepinediones via a One-Pot Intramolecular aza-Michael/Lactamization Sequence.","The Journal of organic chemistry","2018","83","24","15449","15462","10.1021/acs.joc.8b02724","","","1.54178","CuKα","","0.0284","0.0282","","","0.0693","0.0695","","","","","","1.029","","","","has coordinates","226295","2020-10-21","18:00:00",""
"4034773","5.1322","0.0003","10.6941","0.0007","36.958","0.002","90","","90","","90","","2028.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,6S,8S,9R)-8-Butyl-9-((3,5-dinitrobenzoyl)oxymethyl)bicyclo[4.3.0]non-3-ene","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C84 H104 N8 O24 -","4","1","","Nolsøe, Jens M J; Antonsen, Simen; Görbitz, Carl H; Hansen, Trond V.; Nesman, Jannicke I.; Røhr, Åsmund K; Stenstrøm, Yngve H","Total Synthesis of (-)-Mucosin and Revision of Structure.","The Journal of organic chemistry","2018","83","24","15066","15076","10.1021/acs.joc.8b02318","","","0.71073","MoKα","","0.0947","0.0543","","","0.106","0.1311","","","","","","1.041","","","","has coordinates","226296","2020-10-21","18:00:00",""
"4034774","6.4402","0.0002","16.5039","0.0006","19.2685","0.0007","90","","90","","90","","2048.02","0.12","150","2","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O2 S -","- C26 H21 N O2 S -","- C104 H84 N4 O8 S4 -","4","1","","Lu, Hong; Tan, Chang-Yin; Zhang, Huan-Xin; Zhang, Jia-Lu; Liu, Jin-Yu; Li, Hong-Yu; Xu, Peng-Fei","Participation of β-Ketothioamides in N-Heterocyclic Carbene-Catalyzed [3 + 3] Spiroannulation: Asymmetric Synthesis of Functionalized Spiro-piperidinone Derivatives.","The Journal of organic chemistry","2018","83","24","15245","15255","10.1021/acs.joc.8b02520","","","1.54178","CuKα","","0.0481","0.0472","","","0.1278","0.1289","","","","","","1.036","","","","has coordinates","226297","2020-10-21","18:00:00",""
"4034778","7.651","0.0007","18.5007","0.0015","38.062","0.003","90","","90","","90","","5387.6","0.8","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N2 O2 Si -","- C26 H41 N2 O2 Si -","- C208 H328 N16 O16 Si8 -","8","2","","Takeuchi, Toshifumi; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Reaction of α-Vinyl Acetamide.","The Journal of organic chemistry","2018","83","10","5851","5858","10.1021/acs.joc.8b00743","","","1.54187","CuKα","","0.1136","0.0657","","","0.1384","0.1621","","","","","","0.938","","","","has coordinates,has disorder","226301","2020-10-21","18:00:00",""
"4034779","7.278","0.0002","17.8268","0.0005","18.0726","0.0005","90","","90","","90","","2344.8","0.11","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","2","","Takeuchi, Toshifumi; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Reaction of α-Vinyl Acetamide.","The Journal of organic chemistry","2018","83","10","5851","5858","10.1021/acs.joc.8b00743","","","1.54187","CuKα","","0.0723","0.0579","","","0.1412","0.1601","","","","","","1.117","","","","has coordinates","226302","2020-10-21","18:00:00",""
"4034786","5.8947","0.0001","11.9409","0.0001","32.5277","0.0004","90","","90","","90","","2289.56","0.05","150","","150","","","","","","","","from U of Wollongong","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30.11 N O7.55 -","- C24 H30.106 N O7.553 -","- C96 H120.424 N4 O30.212 -","4","1","","Carroll, Anthony W.; Savaspun, Kongdech; Willis, Anthony C.; Hoshino, Masako; Kato, Atsushi; Pyne, Stephen G.","Total Synthesis of Natural Hyacinthacine C<sub>5</sub> and Six Related Hyacinthacine C<sub>5</sub> Epimers.","The Journal of organic chemistry","2018","83","10","5558","5576","10.1021/acs.joc.8b00585","","","1.54184","CuKα","","0.0297","0.0286","","0.073","0.0721","0.073","","","","","","1.0012","","","","has coordinates","226309","2020-10-21","18:00:00",""
"4034808","9.5531","0.0019","10.421","0.002","13.525","0.003","90","","90","","90","","1346.5","0.5","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Bi, Xin; Xu, Wenbo; Yao, Yanmin; Zhou, Lili; Liang, Guangxin","Total Syntheses of a Family of Cadinane Sesquiterpenes.","The Journal of organic chemistry","2018","83","10","5825","5828","10.1021/acs.joc.8b00505","","","0.71073","MoKα","","0.052","0.0411","","","0.0788","0.0825","","","","","","1.078","","","","has coordinates","226328","2020-10-21","18:00:00",""
"4034809","9.3072","0.0019","11.839","0.002","13.106","0.003","90","","90","","90","","1444.1","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C56 H92 N4 O16 -","4","1","","Bi, Xin; Xu, Wenbo; Yao, Yanmin; Zhou, Lili; Liang, Guangxin","Total Syntheses of a Family of Cadinane Sesquiterpenes.","The Journal of organic chemistry","2018","83","10","5825","5828","10.1021/acs.joc.8b00505","","","0.71073","MoKα","","0.052","0.0458","","","0.1194","0.1236","","","","","","1.093","","","","has coordinates","226329","2020-10-21","18:00:00",""
"4034813","11.0791","0.0001","11.8232","0.0001","31.0969","0.0005","90","","90","","90","","4073.4","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H54 N4 O9 -","- C43 H54 N4 O9 -","- C172 H216 N16 O36 -","4","1","","Li, Ni-Ping; Liu, Miao; Huang, Xiao-Jun; Gong, Xue-Ying; Zhang, Wei; Cheng, Min-Jing; Ye, Wen-Cai; Wang, Lei","Gelsecorydines A-E, Five Gelsedine-Corynanthe-Type Bisindole Alkaloids from the Fruits of Gelsemium elegans.","The Journal of organic chemistry","2018","83","10","5707","5714","10.1021/acs.joc.8b00736","","x-ray","1.54184","CuKα","","0.048","0.0435","","","0.1056","0.1074","","","","","","1.052","","","","has coordinates","226333","2020-10-21","18:00:00",""
"4034835","9.871","0.0006","12.4156","0.0008","20.595","0.0011","90","","90","","90","","2524","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 B F4 N4 S -","- C22 H35 B F4 N4 S -","- C88 H140 B4 F16 N16 S4 -","4","1","","Smajlagic, Ivor; Durán, Rocio; Pilkington, Melanie; Dudding, Travis","Cyclopropenium Enhanced Thiourea Catalysis.","The Journal of organic chemistry","2018","83","22","13973","13980","10.1021/acs.joc.8b02321","","","0.71073","MoKα","","0.0486","0.0434","","","0.0848","0.0861","","","","","","1.607","","","","has coordinates","226355","2020-10-21","18:00:00",""
"4034863","8.6493","0.0003","11.5382","0.0004","39.4347","0.0014","90","","90","","90","","3935.5","0.2","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H48 O10 -","- C45 H48 O10 -","- C180 H192 O40 -","4","1","","Zhang, Rui; Tang, Chunping; Liu, Hong-Chun; Ren, Yongmei; Xu, Cheng-Hui; Ke, Chang-Qiang; Yao, Sheng; Huang, Xun; Ye, Yang","Ainsliatriolides A and B, Two Guaianolide Trimers from Ainsliaea fragrans and Their Cytotoxic Activities.","The Journal of organic chemistry","2018","83","22","14175","14180","10.1021/acs.joc.8b02346","","","1.54178","CuKα","","0.0359","0.0337","","","0.0916","0.0934","","","","","","1.027","","","","has coordinates","226383","2020-10-21","18:00:00",""
"4034864","14.8145","0.0014","15.5156","0.0015","19.1787","0.0019","90","","90","","90","","4408.3","0.7","205","","205","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H50 O13 -","- C45 H50 O13 -","- C180 H200 O52 -","4","1","","Zhang, Rui; Tang, Chunping; Liu, Hong-Chun; Ren, Yongmei; Xu, Cheng-Hui; Ke, Chang-Qiang; Yao, Sheng; Huang, Xun; Ye, Yang","Ainsliatriolides A and B, Two Guaianolide Trimers from Ainsliaea fragrans and Their Cytotoxic Activities.","The Journal of organic chemistry","2018","83","22","14175","14180","10.1021/acs.joc.8b02346","","","1.54178","CuKα","","0.0437","0.0403","","","0.1147","0.1175","","","","","","1.038","","","","has coordinates","226384","2020-10-21","18:00:00",""
"4034866","8.5148","0.0009","20.027","0.002","21.654","0.002","90","","90","","90","","3692.6","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 Cl3 N4 O4 -","- C39 H43 Cl3 N4 O4 -","- C156 H172 Cl12 N16 O16 -","4","1","","Feng, Lei; Gao, Guangpeng; Zhao, Hongmei; Zheng, Li; Wang, Yu; Stavropoulos, Pericles; Ai, Lin; Zhang, Jiaxin","Synthesis of Tripeptide Derivatives with Three Stereogenic Centers and Chiral Recognition Probed by Tetraaza Macrocyclic Chiral Solvating Agents Derived from d-Phenylalanine and (1 S,2 S)-(+)-1,2-Diaminocyclohexane via <sup>1</sup>H NMR Spectroscopy.","The Journal of organic chemistry","2018","83","22","13874","13887","10.1021/acs.joc.8b02212","","","0.71073","MoKα","","0.0446","0.04","","","0.1068","0.1101","","","","","","1.047","","","","has coordinates","226386","2020-10-21","18:00:00",""
"4034872","9.5839","0.0001","12.703","0.0001","24.8305","0.0003","90","","90","","90","","3022.97","0.05","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 O2 -","- C16 H28 O2 -","- C128 H224 O16 -","8","2","","Tang, Fei; Lan, Ping; Bolte, Benoit; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Total Synthesis of (+)-Viridianol, a Marine-Derived Sesquiterpene Embodying the Decahydrocyclobuta[ d]indene Framework.","The Journal of organic chemistry","2018","83","22","14049","14056","10.1021/acs.joc.8b02626","","x-ray","1.54184","CuKα","","0.04","0.0396","","","0.1085","0.1092","","","","","","1.037","","","","has coordinates","226392","2020-10-21","18:00:00",""
"4034873","6.3617","0.0002","8.7528","0.0002","26.7339","0.0007","90","","90","","90","","1488.62","0.07","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 O2 -","- C16 H28 O2 -","- C64 H112 O8 -","4","1","","Tang, Fei; Lan, Ping; Bolte, Benoit; Banwell, Martin G.; Ward, Jas S.; Willis, Anthony C.","Total Synthesis of (+)-Viridianol, a Marine-Derived Sesquiterpene Embodying the Decahydrocyclobuta[ d]indene Framework.","The Journal of organic chemistry","2018","83","22","14049","14056","10.1021/acs.joc.8b02626","","x-ray","1.54184","CuKα","","0.0513","0.0449","","","0.1091","0.1125","","","","","","1.034","","","","has coordinates","226393","2020-10-21","18:00:00",""
"4034884","10.1247","0.0001","13.3032","0.0001","18.0026","0.0001","90","","90","","90","","2424.79","0.03","99","2","99","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,4S,7S)-tert-butyl 5-benzyl-7-(4-hydroxyphenyl)-4-isopropyl-6-oxo-2,5-diazabicyclo[5.1.0]octane-2-carboxylate","","- C27 H33 F N2 O3 -","- C27 H33 F N2 O3 -","- C108 H132 F4 N8 O12 -","4","1","","Maslivetc, Vladimir A.; Frolova, Liliya V.; Rogelj, Snezna; Maslivetc, Anna A.; Rubina, Marina; Rubin, Michael","Metal-Templated Assembly of Cyclopropane-Fused Diazepanones and Diazecanones via exo- trig Nucleophilic Cyclization of Cyclopropenes with Tethered Carbamates.","The Journal of organic chemistry","2018","83","22","13743","13753","10.1021/acs.joc.8b02062","","x-ray","1.54184","CuKα","","0.0261","0.0259","","","0.0668","0.067","","","","","","1.069","","","","has coordinates","226404","2020-10-21","18:00:00",""
"4034899","10.079","0.0004","17.3965","0.0007","19.094","0.0007","90","","90","","90","","3347.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Cl3 Ir N3 O P -","- C30 H45 Cl3 Ir N3 O P -","- C120 H180 Cl12 Ir4 N12 O4 P4 -","4","1","","Salomó, Ernest; Rojo, Pep; Hernández-Lladó, Pol; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic and Non-P-Stereogenic Ir-MaxPHOX in the Asymmetric Hydrogenation of N-Aryl Imines. Isolation and X-ray Analysis of Imine Iridacycles.","The Journal of organic chemistry","2018","83","8","4618","4627","10.1021/acs.joc.8b00361","","","0.71073","MoKα","","0.0422","0.0335","","","0.0587","0.0614","","","","","","1.024","","","","has coordinates,has disorder","226414","2020-10-21","18:00:00",""
"4034900","8.7586","0.0004","10.9593","0.0005","16.2878","0.0007","90","","90","","90","","1563.44","0.12","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O7 -","- C18 H19 N O7 -","- C72 H76 N4 O28 -","4","1","","Borisova, Kseniya K.; Kvyatkovskaya, Elizaveta A.; Nikitina, Eugeniya V.; Aysin, Rinat R.; Novikov, Roman A.; Zubkov, Fedor I.","Classical Example of Total Kinetic and Thermodynamic Control: The Diels-Alder Reaction between DMAD and Bis-furyl Dienes.","The Journal of organic chemistry","2018","83","8","4840","4850","10.1021/acs.joc.8b00336","","","0.71073","MoKα","","0.0407","0.0346","","","0.0846","0.0876","","","","","","1.032","","","","has coordinates","226416","2020-10-21","18:00:00",""
"4034902","5.6312","0.0002","13.6957","0.0006","15.9894","0.0006","90","","90","","90","","1233.15","0.08","88","2","88","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C40 H56 N8 O20 -","4","1","","Richardson, Mark B.; Brown, Derek B.; Vasquez, Carlos A.; Ziller, Joseph W.; Johnston, Kevin M.; Weiss, Gregory A.","Synthesis and Explosion Hazards of 4-Azido-l-phenylalanine.","The Journal of organic chemistry","2018","83","8","4525","4536","10.1021/acs.joc.8b00270","","","0.71073","MoKα","","0.027","0.0253","","","0.064","0.065","","","","","","1.062","","","","has coordinates","226418","2020-10-21","18:00:00",""
"4034916","5.8015","0.0009","7.985","0.0012","22.001","0.003","90","","90","","90","","1019.2","0.3","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O3 -","- C12 H14 O3 -","- C48 H56 O12 -","4","1","","Yaremenko, Ivan A.; Gomes, Gabriel Dos Passos; Radulov, Peter S.; Belyakova, Yulia Yu; Vilikotskiy, Anatoliy E.; Vil', Vera A.; Korlyukov, Alexander A.; Nikishin, Gennady I.; Alabugin, Igor V.; Terent'ev, Alexander O.","Ozone-Free Synthesis of Ozonides: Assembling Bicyclic Structures from 1,5-Diketones and Hydrogen Peroxide.","The Journal of organic chemistry","2018","83","8","4402","4426","10.1021/acs.joc.8b00130","","","0.71073","MoKα","","0.044","0.0404","","","0.097","0.0989","","","","","","1.0645","","","","has coordinates","226431","2020-10-21","18:00:00",""
"4034931","6.3061","0.0016","12","0.003","30.47","0.008","90","","90","","90","","2305.8","1","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br N2 O6 S -","- C24 H17 Br N2 O6 S -","- C96 H68 Br4 N8 O24 S4 -","4","1","","Wang, Jiao-Jiao; Yang, Hui; Gou, Bo-Bo; Zhou, Ling; Chen, Jie","Enantioselective Organocatalytic Sulfenylation of β-Naphthols.","The Journal of organic chemistry","2018","83","8","4730","4738","10.1021/acs.joc.8b00487","","","0.71073","MoKα","","0.0892","0.0459","","","0.0871","0.1017","","","","","","0.987","","","","has coordinates","226446","2020-10-21","18:00:00",""
"4034971","11.1371","0.0001","17.0065","0.0002","30.3267","0.0003","90","","90","","90","","5743.97","0.1","294.15","","294.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 O4 -","- C33 H36 O4 -","- C264 H288 O32 -","8","2","","Zhang, Zhi-Pei; Chen, Li; Li, Xin; Cheng, Jin-Pei","Organocatalytic Asymmetric Sequential 1,6-Addition/Acetalization of 1-Oxotetralin-2-carbaldehyde to ortho-Hydroxyphenyl-Substituted para-Quinone Methides for Synthesis of Spiro-3,4-dihydrocoumarins.","The Journal of organic chemistry","2018","83","5","2714","2724","10.1021/acs.joc.7b03177","","x-ray","1.54184","CuKα","","0.0342","0.0332","","","0.0962","0.0971","","","","","","1.049","","","","has coordinates","226479","2020-10-21","18:00:00",""
"4034972","10.5343","0.0001","11.3666","0.0001","23.7867","0.0002","90","","90","","90","","2848.2","0.04","294.15","","294.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 O4 -","- C33 H36 O4 -","- C132 H144 O16 -","4","1","","Zhang, Zhi-Pei; Chen, Li; Li, Xin; Cheng, Jin-Pei","Organocatalytic Asymmetric Sequential 1,6-Addition/Acetalization of 1-Oxotetralin-2-carbaldehyde to ortho-Hydroxyphenyl-Substituted para-Quinone Methides for Synthesis of Spiro-3,4-dihydrocoumarins.","The Journal of organic chemistry","2018","83","5","2714","2724","10.1021/acs.joc.7b03177","","x-ray","1.54184","CuKα","","0.038","0.0369","","","0.1041","0.1055","","","","","","1.027","","","","has coordinates","226480","2020-10-21","18:00:00",""
"4034973","8.006","0.0002","16.9875","0.0005","22.5448","0.0007","90","","90","","90","","3066.14","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 O6 -","- C33 H48 O6 -","- C132 H192 O24 -","4","1","","Liu, Jia-Wang; Zhang, Ming-Yu; Yan, Yong-Ming; Wei, Xiao-Yi; Dong, Lu; Zhu, Yan-Xia; Cheng, Yong-Xian","Characterization of Sesquiterpene Dimers from Resina Commiphora That Promote Adipose-Derived Stem Cell Proliferation and Differentiation.","The Journal of organic chemistry","2018","83","5","2725","2733","10.1021/acs.joc.7b03182","","","1.54178","CuKα","","0.0342","0.0338","","","0.0906","0.091","","","","","","1.05","","","","has coordinates","226481","2020-10-21","18:00:00",""
"4034974","12.4728","0.0004","13.9162","0.0004","17.2735","0.0005","90","","90","","90","","2998.23","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 O6 -","- C33 H48 O6 -","- C132 H192 O24 -","4","1","","Liu, Jia-Wang; Zhang, Ming-Yu; Yan, Yong-Ming; Wei, Xiao-Yi; Dong, Lu; Zhu, Yan-Xia; Cheng, Yong-Xian","Characterization of Sesquiterpene Dimers from Resina Commiphora That Promote Adipose-Derived Stem Cell Proliferation and Differentiation.","The Journal of organic chemistry","2018","83","5","2725","2733","10.1021/acs.joc.7b03182","","","1.54178","CuKα","","0.0286","0.0285","","","0.0723","0.0723","","","","","","1.045","","","","has coordinates","226482","2020-10-21","18:00:00",""
"4034983","5.6914","0.0009","7.7326","0.0012","33.904","0.005","90","","90","","90","","1492.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C64 H60 N4 O16 S4 -","4","1","","Lei, Xue; Zheng, Lei; Zhang, Chuanxin; Shi, Xiaodong; Chen, Yunfeng","Allylic C-S Bond Construction through Metal-Free Direct Nitroalkene Sulfonation.","The Journal of organic chemistry","2018","83","4","1772","1778","10.1021/acs.joc.7b02595","","","0.71073","MoKα","","0.0381","0.0373","","","0.0986","0.0993","","","","","","1.135","","","","has coordinates","226490","2020-10-21","18:00:00",""
"4035009","14.1381","0.0001","15.8779","0.0001","20.5634","0.0002","90","","90","","90","","4616.14","0.06","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H52 Co2 O4 P2 Si2 -","- C47 H52 Co2 O4 P2 Si2 -","- C188 H208 Co8 O16 P8 Si8 -","4","1","","Kohn, Daniel R.; Gawel, Przemyslaw; Xiong, Yaoyao; Christensen, Kirsten E.; Anderson, Harry L.","Synthesis of Polyynes Using Dicobalt Masking Groups.","The Journal of organic chemistry","2018","83","4","2077","2086","10.1021/acs.joc.7b03015","","","0.71073","MoKα","","0.0371","0.0296","","0.0683","0.0641","0.0683","","","","","","1.006","","","","has coordinates","226513","2020-10-21","18:00:00",""
"4035046","5.8087","0.0003","15.6067","0.0008","16.7214","0.0008","90","","90","","90","","1515.87","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br3 N O -","- C15 H12 Br3 N O -","- C60 H48 Br12 N4 O4 -","4","1","","Golushko, Andrei A.; Sandzhieva, Maria A.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Khoroshilova, Olesya V.; Barkov, Alexey Yu; Vasilyev, Aleksander V.","Reactions of 3,3,3-Trihalogeno-1-nitropropenes with Arenes in the Superacid CF<sub>3</sub>SO<sub>3</sub>H: Synthesis of ( Z)-3,3,3-Trihalogeno-1,2-diarylpropan-1-one Oximes and Study on the Reaction Mechanism.","The Journal of organic chemistry","2018","83","17","10142","10157","10.1021/acs.joc.8b01406","","x-ray","1.54184","CuKα","","0.0378","0.0373","","","0.1052","0.1058","","","","","","1.075","","","","has coordinates","226544","2020-10-21","18:00:00",""
"4035063","8.4828","0.0015","9.5212","0.0016","25.663","0.004","90","","90","","90","","2072.7","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","WP-4-105","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Powell, Wyatt C.; Walczak, Maciej A.","Asymmetric Synthesis of Chiral 1,2-Amino Alcohols and Morpholin-2-ones from Arylglyoxals.","The Journal of organic chemistry","2018","83","17","10487","10500","10.1021/acs.joc.8b01516","","","0.71073","MoKα","","0.0574","0.0445","","","0.0959","0.1007","","","","","","1.027","","","","has coordinates","226561","2020-10-21","18:00:00",""
"4035064","9.343","0.008","11.102","0.009","19.127","0.016","90","","90","","90","","1984","3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","WP-20mL vial","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","1","","Powell, Wyatt C.; Walczak, Maciej A.","Asymmetric Synthesis of Chiral 1,2-Amino Alcohols and Morpholin-2-ones from Arylglyoxals.","The Journal of organic chemistry","2018","83","17","10487","10500","10.1021/acs.joc.8b01516","","","0.71073","MoKα","","0.0395","0.0362","","","0.0949","0.098","","","","","","1.048","","","","has coordinates","226562","2020-10-21","18:00:00",""
"4035065","5.3196","0.0002","13.2115","0.0005","19.4963","0.0007","90","","90","","90","","1370.2","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Prasad, Sure Siva; Reddy, Narra Rajashekar; Baskaran, Sundarababu","One-Pot Synthesis of Structurally Diverse Iminosugar-Based Hybrid Molecules.","The Journal of organic chemistry","2018","83","17","9604","9618","10.1021/acs.joc.8b00748","","","0.71073","MoKα","","0.0326","0.0277","","","0.0619","0.0654","","","","","","1.058","","","","has coordinates","226563","2020-10-21","18:00:00",""
"4035066","7.3556","0.0002","11.9761","0.0004","21.0147","0.0007","90","","90","","90","","1851.21","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O7 -","- C21 H19 N O7 -","- C84 H76 N4 O28 -","4","1","","Prasad, Sure Siva; Reddy, Narra Rajashekar; Baskaran, Sundarababu","One-Pot Synthesis of Structurally Diverse Iminosugar-Based Hybrid Molecules.","The Journal of organic chemistry","2018","83","17","9604","9618","10.1021/acs.joc.8b00748","","","0.71073","MoKα","","0.0303","0.0267","","","0.0649","0.067","","","","","","1.063","","","","has coordinates","226564","2020-10-21","18:00:00",""
"4035067","8.9478","0.0002","13.8124","0.0003","18.1979","0.0005","90","","90","","90","","2249.09","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C96 H100 N4 O24 -","4","1","","Prasad, Sure Siva; Reddy, Narra Rajashekar; Baskaran, Sundarababu","One-Pot Synthesis of Structurally Diverse Iminosugar-Based Hybrid Molecules.","The Journal of organic chemistry","2018","83","17","9604","9618","10.1021/acs.joc.8b00748","","","0.71073","MoKα","","0.0397","0.0351","","","0.0908","0.0946","","","","","","1.008","","","","has coordinates","226565","2020-10-21","18:00:00",""
"4035075","7.6974","0.0003","8.3857","0.0004","27.1665","0.0015","90","","90","","90","","1753.55","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0485","0.0448","","0.1217","0.1185","0.1217","","","","","","0.9998","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035076","6.20379","0.00019","10.109","0.0004","21.0273","0.0007","90","","90","","90","","1318.71","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.031","0.0294","","0.0726","0.0714","0.0726","","","","","","1.0014","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035077","6.09911","0.00009","19.8667","0.0003","20.5517","0.0003","90","","90","","90","","2490.23","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N O5 S -","- C28 H33 N O5 S -","- C112 H132 N4 O20 S4 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.039","0.0369","","0.112","0.0991","0.1091","","","","","","1.0045","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035078","7.5945","0.0005","14.1084","0.0008","16.4675","0.0007","90","","90","","90","","1764.43","0.17","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0762","0.0718","","0.2015","0.1959","0.2015","","","","","","1.0006","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035079","6.66884","0.00012","10.20673","0.00017","26.001","0.0005","90","","90","","90","","1769.81","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0409","0.0379","","0.1017","0.0941","0.1017","","","","","","0.9969","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035081","6.4569","0.0003","8.3507","0.0003","25.6234","0.001","90","","90","","90","","1381.6","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 -","- C14 H21 N O3 -","- C56 H84 N4 O12 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0294","0.0277","","0.0703","0.0685","0.0703","","","","","","1.0084","","","","has coordinates","226569","2020-10-21","18:00:00",""
"4035082","7.15836","0.00007","10.69592","0.00012","24.2138","0.0002","90","","90","","90","","1853.94","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Da Silva Pinto, Solange; Davies, Stephen G.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Diastereoselective Ammonium-Directed Epoxidation in the Asymmetric Syntheses of Dihydroconduramines (+)-C-2, (-)-C-2, (+)-D-2, (+)-E-2, (+)-F-2, and (-)-F-2.","The Journal of organic chemistry","2018","83","17","9939","9957","10.1021/acs.joc.8b01359","","","1.54184","CuKα","","0.0307","0.03","","0.0795","0.0787","0.0794","","","","","","1.0015","","","","has coordinates,has disorder","226569","2020-10-21","18:00:00",""
"4035091","10.071","0.003","17.413","0.004","18.47","0.005","90","","90","","90","","3239","1.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 N2 O5 -","- C32 H48 N2 O5 -","- C128 H192 N8 O20 -","4","1","","Liang, Yu-Fu; Chung, Chuang-Chung; Liao, De-Jhong; Lee, Woo-Jer; Tu, Yu-Wei; Uang, Biing-Jiun","Total Syntheses of (+)-α-Allokainic Acid and (-)-2- epi-α-Allokainic Acid Employing Ketopinic Amide as a Chiral Auxiliary.","The Journal of organic chemistry","2018","83","17","10564","10572","10.1021/acs.joc.8b01383","","","0.71073","MoKα","","0.1826","0.0393","","","0.0542","0.0706","","","","","","0.621","","","","has coordinates","226578","2020-10-21","18:00:00",""
"4035097","5.777","0.0001","16.7111","0.0004","17.372","0.0004","90","","90","","90","","1677.09","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Zhao, Guang-Zhen; Foster, Daven; Sipos, Gellért; Gao, Pengchao; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","Electronic and Steric Tuning of an Atropisomeric Disulfoxide Ligand Motif and Its Use in the Rh(I)-Catalyzed Addition Reactions of Boronic Acids to a Wide Range of Acceptors.","The Journal of organic chemistry","2018","83","17","9741","9755","10.1021/acs.joc.8b01269","","","1.54178","CuKα","","0.0522","0.0387","","","0.0936","0.1019","","","","","","1","","","","has coordinates","226584","2020-10-21","18:00:00",""
"4035098","12.6789","0.0002","15.7548","0.0003","27.245","0.0003","90","","90","","90","","5442.29","0.15","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H44 Cl6 F4 O4 Rh2 S4 -","- C54 H44 Cl6 F4 O4 Rh2 S4 -","- C216 H176 Cl24 F16 O16 Rh8 S16 -","4","1","","Zhao, Guang-Zhen; Foster, Daven; Sipos, Gellért; Gao, Pengchao; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","Electronic and Steric Tuning of an Atropisomeric Disulfoxide Ligand Motif and Its Use in the Rh(I)-Catalyzed Addition Reactions of Boronic Acids to a Wide Range of Acceptors.","The Journal of organic chemistry","2018","83","17","9741","9755","10.1021/acs.joc.8b01269","","x-ray","1.54178","CuKα","","0.0371","0.0314","","","0.0724","0.0763","","","","","","1.044","","","","has coordinates","226585","2020-10-21","18:00:00",""
"4035101","5.3809","0.0002","9.3938","0.0003","20.0221","0.0006","90","","90","","90","","1012.06","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F2 N2 O5 -","- C9 H10 F2 N2 O5 -","- C36 H40 F8 N8 O20 -","4","1","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.34139","GaKα","","0.0295","0.0266","","","0.064","0.0648","","","","","","1.057","","","","has coordinates","226589","2020-10-21","18:00:00",""
"4035103","6.6418","0.0002","9.5458","0.0002","21.8207","0.0005","90","","90","","90","","1383.46","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","1","","Malek-Adamian, Elise; Patrascu, Mihai Burai; Jana, Sunit Kumar; Martínez-Montero, Saúl; Moitessier, Nicolas; Damha, Masad J.","Adjusting the Structure of 2'-Modified Nucleosides and Oligonucleotides via C4'-α-F or C4'-α-OMe Substitution: Synthesis and Conformational Analysis.","The Journal of organic chemistry","2018","83","17","9839","9849","10.1021/acs.joc.8b01329","","x-ray","1.54178","CuKα","","0.0319","0.0317","","","0.0877","0.088","","","","","","1.053","","","","has coordinates","226591","2020-10-21","18:00:00",""
"4035113","8.4084","0.0008","13.5716","0.0013","15.4024","0.0017","90","","90","","90","","1757.7","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 F N O2 S -","- C19 H20 F N O2 S -","- C76 H80 F4 N4 O8 S4 -","4","1","","Zhou, Wen; Zhang, Yan-Xue; Nie, Xiao-Di; Si, Chang-Mei; Sun, Xun; Wei, Bang-Guo","Approach to Chiral 1-Substituted Isoquinolone and 3-Substituted Isoindolin-1-one by Addition-Cyclization Process.","The Journal of organic chemistry","2018","83","17","9879","9889","10.1021/acs.joc.8b01282","","","0.71073","MoKα","","0.0669","0.0447","","","0.0883","0.1008","","","","","","1.04","","","","has coordinates","226599","2020-10-21","18:00:00",""
"4035115","11.96003","0.00019","17.9032","0.0002","28.5501","0.0004","90","","90","","90","","6113.23","0.15","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H79 Cl3 N6 O5 -","- C62 H79 Cl3 N6 O5 -","- C248 H316 Cl12 N24 O20 -","4","1","","Liu, Zhi-Wen; Zhang, Jian; Li, Song-Tao; Liu, Ming-Qun; Huang, Xiao-Jun; Ao, Yun-Lin; Fan, Chun-Lin; Zhang, Dong-Mei; Zhang, Qing-Wen; Ye, Wen-Cai; Zhang, Xiao-Qi","Ervadivamines A and B, Two Unusual Trimeric Monoterpenoid Indole Alkaloids from Ervatamia divaricata.","The Journal of organic chemistry","2018","83","17","10613","10618","10.1021/acs.joc.8b01371","","","1.54184","CuKα","","0.0747","0.0709","","","0.21","0.2162","","","","","","1.011","","","","has coordinates","226601","2020-10-21","18:00:00",""
"4035116","12.6557","0.0002","17.4453","0.0003","29.2029","0.0005","90","","90","","90","","6447.49","0.19","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 N6 O5 -","- C62 H78 N6 O5 -","- C248 H312 N24 O20 -","4","1","","Liu, Zhi-Wen; Zhang, Jian; Li, Song-Tao; Liu, Ming-Qun; Huang, Xiao-Jun; Ao, Yun-Lin; Fan, Chun-Lin; Zhang, Dong-Mei; Zhang, Qing-Wen; Ye, Wen-Cai; Zhang, Xiao-Qi","Ervadivamines A and B, Two Unusual Trimeric Monoterpenoid Indole Alkaloids from Ervatamia divaricata.","The Journal of organic chemistry","2018","83","17","10613","10618","10.1021/acs.joc.8b01371","","","1.54184","CuKα","","0.0461","0.0423","","","0.1084","0.1116","","","","","","1.029","","","","has coordinates","226602","2020-10-21","18:00:00",""
"4035133","9.8225","0.0003","13.8254","0.0005","15.3324","0.0005","90","","90","","90","","2082.14","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 S2 -","- C22 H25 N O2 S2 -","- C88 H100 N4 O8 S8 -","4","1","","Niu, Sheng-Tong; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Diastereoselective α-Sulfenylation of N- tert-Butanesulfinyl Imidates.","The Journal of organic chemistry","2018","83","17","10580","10588","10.1021/acs.joc.8b01403","","x-ray","0.71073","MoKα","","0.0351","0.0318","","","0.0693","0.0717","","","","","","1.009","","","","has coordinates","226618","2020-10-21","18:00:00",""
"4035139","7.7647","0.0007","11.6418","0.0009","23.985","0.002","90","","90","","90","","2168.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O7 -","- C22 H26 N2 O7 -","- C88 H104 N8 O28 -","4","1","","Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.","Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.","The Journal of organic chemistry","2018","83","17","9795","9817","10.1021/acs.joc.8b01315","","","0.71073","MoKα","","0.05","0.0423","","","0.1097","0.1154","","","","","","1.062","","","","has coordinates","226624","2020-10-21","18:00:00",""
"4035141","10.4407","0.0005","13.4314","0.0004","16.6407","0.0007","90","","90","","90","","2333.58","0.16","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 O6 -","- C24 H30 O6 -","- C96 H120 O24 -","4","1","","Peraka, Swamy; Hussain, Akram; Ramachary, Dhevalapally B.","Modular Access to Chiral 2,3-Dihydrofurans and 3,4-Dihydro-2 H-pyrans by Stereospecific Activation of Formylcyclopropanes through Combination of Organocatalytic Reductive Coupling and Lewis-Acid-Catalyzed Annulative Ring-Opening Reactions.","The Journal of organic chemistry","2018","83","17","9795","9817","10.1021/acs.joc.8b01315","","","1.54184","CuKα","","0.0594","0.0461","","","0.1071","0.1182","","","","","","1.046","","","","has coordinates","226626","2020-10-21","18:00:00",""
"4035150","5.7105","0.0001","16.0865","0.0003","21.9222","0.0004","90","","90","","90","","2013.82","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 S -","- C22 H24 O4 S -","- C88 H96 O16 S4 -","4","1","","Fulton, Jennifer L.; Horwitz, Matthew A.; Bruske, Ericka L.; Johnson, Jeffrey S.","Asymmetric Organocatalytic Sulfa-Michael Addition to Enone Diesters.","The Journal of organic chemistry","2018","83","6","3385","3391","10.1021/acs.joc.8b00007","","","1.54178","CuKα","","0.0332","0.0297","","","0.073","0.0754","","","","","","1.04","","","","has coordinates","226630","2020-10-21","18:00:00",""
"4035156","9.3307","0.0006","13.3778","0.0009","15.3562","0.001","90","","90","","90","","1916.8","0.2","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N Se -","- C23 H25 N Se -","- C92 H100 N4 Se4 -","4","1","","Shibahara, Fumitoshi; Suzuki, Masafumi; Kubota, Saki; Fukunaga, Tomoki; Udagawa, Taro; Murai, Toshiaki","Selenolactams as Synthetic Intermediates for the Synthesis of Polycyclic Amines via Seleno-Claisen Rearrangements.","The Journal of organic chemistry","2018","83","6","3078","3089","10.1021/acs.joc.8b00306","","","1.54187","CuKα","","0.0293","0.0262","","","0.059","0.0604","","","","","","1.059","","","","has coordinates","226636","2020-10-21","18:00:00",""
"4035157","5.194","0.0002","10.453","0.0005","23.0032","0.0011","90","","90","","90","","1248.91","0.1","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 Cl2 N2 O6 -","- C10 H8 Cl2 N2 O6 -","- C40 H32 Cl8 N8 O24 -","4","1","","Cleveland, Alexander H.; Fronczek, Frank R.; Kartika, Rendy","Synthesis of Vicinal Dichlorides via Activation of Aliphatic Terminal Epoxides with Triphosgene and Pyridine.","The Journal of organic chemistry","2018","83","6","3367","3377","10.1021/acs.joc.7b03197","","","0.71073","MoKα","","0.0418","0.0327","","","0.0663","0.0695","","","","","","1.026","","","","has coordinates","226637","2020-10-21","18:00:00",""
"4035171","10.3207","0.0002","13.0112","0.0003","24.0063","0.0006","90","","90","","90","","3223.68","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","673","","","- C16 H26 O4 -","- C16 H26 O4 -","- C128 H208 O32 -","8","2","","Williams, Benjamin M.; Trauner, Dirk","Azomethine Ylide Cycloaddition Approach toward Dendrobine: Synthesis of 5-Deoxymubironine C.","The Journal of organic chemistry","2018","83","6","3061","3068","10.1021/acs.joc.8b00192","","","0.71073","MoKα","","0.0436","0.0398","","","0.1032","0.1057","","","","","","1.04","","","","has coordinates,has disorder","226649","2020-10-21","18:00:00",""
"4035174","8.2534","0.0004","8.9301","0.0005","11.6896","0.0007","90","","90","","90","","861.57","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,3S,9S,12S)-5,7,10-trioxatricyclo[7.3.0.0^3,12^]dodecan-11-one","","- C9 H12 O4 -","- C9 H12 O4 -","- C36 H48 O16 -","4","1","","Xin, Yangchun; Rodríguez-Santiago, Luís; Sodupe, Mariona; Álvarez-Larena, Angel; Busqué, Félix; Alibés, Ramon","Intramolecular Photocycloaddition of 2(5 H)-Furanones to Temporarily Tethered Terminal Alkenes as a Stereoselective Source of Enantiomerically Pure Polyfunctionalyzed Cyclobutanes.","The Journal of organic chemistry","2018","83","6","3188","3199","10.1021/acs.joc.8b00088","","","0.71075","MoKα","","0.0952","0.0793","","","0.2121","0.2285","","","","","","1.103","","","","has coordinates","226651","2020-10-21","18:00:00",""
"4035177","10.53555","0.00014","16.17984","0.00019","24.4076","0.0003","90","","90","","90","","4160.61","0.09","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H64 O6 -","- C45 H64 O6 -","- C180 H256 O24 -","4","1","","Shan, Huanyu; Zhou, Qiaoxia; Yu, Jinglu; Zhang, Shuoqing; Hong, Xin; Lin, Xufeng","Rhodium-Catalyzed Asymmetric Addition of Organoboronic Acids to Aldimines Using Chiral Spiro Monophosphite-Olefin Ligands: Method Development and Mechanistic Studies.","The Journal of organic chemistry","2018","83","19","11873","11885","10.1021/acs.joc.8b01764","","","1.54184","CuKα","","0.0512","0.0454","","","0.1102","0.1169","","","","","","1.059","","","","has coordinates","226654","2020-10-21","18:00:00",""
"4035178","8.02988","0.00012","14.07","0.0002","37.5353","0.0006","90","","90","","90","","4240.75","0.11","171.2","","171.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H64 O6 -","- C45 H64 O6 -","- C180 H256 O24 -","4","1","","Shan, Huanyu; Zhou, Qiaoxia; Yu, Jinglu; Zhang, Shuoqing; Hong, Xin; Lin, Xufeng","Rhodium-Catalyzed Asymmetric Addition of Organoboronic Acids to Aldimines Using Chiral Spiro Monophosphite-Olefin Ligands: Method Development and Mechanistic Studies.","The Journal of organic chemistry","2018","83","19","11873","11885","10.1021/acs.joc.8b01764","","","1.54184","CuKα","","0.0509","0.0456","","","0.1163","0.1225","","","","","","1.05","","","","has coordinates","226655","2020-10-21","18:00:00",""
"4035180","5.7505","0.0002","9.7182","0.0004","32.0971","0.0015","90","","90","","90","","1793.73","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C84 H80 N8 O12 -","- C84 H80 N8 O12 -","- C84 H80 N8 O12 -","1","0.25","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0556","0.0529","","","0.1353","0.1401","","","","","","1.055","","","","has coordinates","226657","2020-10-21","18:00:00",""
"4035183","5.7022","0.0006","9.6372","0.0009","31.486","0.003","90","","90","","90","","1730.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N0.25 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Kumar, Rakesh; Chaudhary, Sandeep; Kumar, Rohit; Upadhyay, Pooja; Sahal, Dinkar; Sharma, Upendra","Catalyst and Additive-Free Diastereoselective 1,3-Dipolar Cycloaddition of Quinolinium Imides with Olefins, Maleimides, and Benzynes: Direct Access to Fused N,N'-Heterocycles with Promising Activity against a Drug-Resistant Malaria Parasite.","The Journal of organic chemistry","2018","83","19","11552","11570","10.1021/acs.joc.8b01520","","x-ray","1.54184","CuKα","","0.0663","0.0523","","","0.1313","0.1529","","","","","","1.075","","","","has coordinates","226660","2020-10-21","18:00:00",""
"4035188","11.0266","0.0004","24.2582","0.0011","26.2224","0.001","90","","90","","90","","7014.1","0.5","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C63 H34 Br6 O6 -","- C63 H34 Br6 O6 -","- C252 H136 Br24 O24 -","4","1","","Wang, Jia-Qi; Li, Jing; Zhang, Geng-Wu; Chen, Chuan-Feng","A Route to Enantiopure ( O-Methyl)<sub>6</sub>-2,6-Helic[6]arenes: Synthesis of Hexabromo-Substituted 2,6-Helic[6]arene Derivatives and Their Suzuki-Miyaura Coupling Reactions.","The Journal of organic chemistry","2018","83","19","11532","11540","10.1021/acs.joc.8b01437","","","0.71073","MoKα","","0.1645","0.0737","","","0.1499","0.1865","","","","","","0.937","","","","has coordinates","226665","2020-10-21","18:00:00",""
"4035191","8.1049","0.0013","13.229","0.003","18.91","0.005","90","","90","","90","","2027.5","0.8","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl N2 O3 -","- C20 H27 Cl N2 O3 -","- C80 H108 Cl4 N8 O12 -","4","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Regioselective and Stereoselective Reductive Aziridinium Ring Cleavage Leading to Azabicyclodecane Architecture: Enantioselective Synthesis of (+)-Subincanadine F.","The Journal of organic chemistry","2018","83","19","12164","12170","10.1021/acs.joc.8b02113","","","1.54178","CuKα","","0.0832","0.0758","","","0.2004","0.2104","","","","","","1.054","","","","has coordinates","226668","2020-10-21","18:00:00",""
"4035196","7.6058","0.001","9.596","0.0009","25.628","0.003","90","","90","","90","","1870.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Qiao, Zhi; Liu, Hui; Sui, Jing-Jing; Liao, Jin-Xi; Tu, Yuan-Hong; Schmidt, Richard R.; Sun, Jian-Song","Diversity-Oriented Synthesis of Steviol Glycosides.","The Journal of organic chemistry","2018","83","19","11480","11492","10.1021/acs.joc.8b01274","","x-ray","0.71073","MoKα","","0.0986","0.0794","","","0.1747","0.1871","","","","","","1.081","","","","has coordinates","226673","2020-10-21","18:00:00",""
"4035197","9.2524","0.0007","11.1911","0.0008","17.8291","0.0013","90","","90","","90","","1846.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","t-Butyl 1-(3aR,5,6,6aS-tetrahydro-4H-pyrrolo[3,4-d]isoxazol-3-yl)-2S-phenylethyl)carbamate","","- C18 H25 N3 O3 -","- C18 H25 N3 O3 -","- C72 H100 N12 O12 -","4","1","","Bucci, Raffaella; Giofré, Sabrina; Clerici, Francesca; Contini, Alessandro; Pinto, Andrea; Erba, Emanuela; Soave, Raffaella; Pellegrino, Sara; Gelmi, Maria Luisa","Tetrahydro-4 H-(pyrrolo[3,4- d]isoxazol-3-yl)methanamine: A Bicyclic Diamino Scaffold Stabilizing Parallel Turn Conformations.","The Journal of organic chemistry","2018","83","19","11493","11501","10.1021/acs.joc.8b01299","","","0.71073","MoKα","","0.1622","0.0504","","","0.1105","0.1546","","","","","","0.955","","","","has coordinates","226674","2020-10-21","18:00:00",""
"4035204","5.3829","0.0004","17.6389","0.0012","21.6279","0.0015","90","","90","","90","","2053.5","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl N O3 -","- C24 H24 Cl N O3 -","- C96 H96 Cl4 N4 O12 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","Catalytic Enantioselective C-C Bond-Forming Reactions of Deconjugated Butyrolactams: Michael Addition to α,β-Unsaturated Aldehydes and Ketones.","The Journal of organic chemistry","2018","83","19","12071","12085","10.1021/acs.joc.8b02051","","","0.71073","MoKα","","0.0542","0.0352","","","0.0699","0.0829","","","","","","1.102","","","","has coordinates","226682","2020-10-21","18:00:00",""
"4035216","6.08389","0.00014","14.5798","0.0003","29.7083","0.0007","90","","90","","90","","2635.18","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 S6 Si2 -","- C24 H22 S6 Si2 -","- C96 H88 S24 Si8 -","4","1","","Xu, Wan; Wang, Mengjie; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Selenophene-Based Heteroacenes: Synthesis, Structures, and Physicochemical Behaviors.","The Journal of organic chemistry","2018","83","19","12154","12163","10.1021/acs.joc.8b02107","","x-ray","1.54184","CuKα","","0.0922","0.0648","","","0.1603","0.1757","","","","","","1.097","","","","has coordinates","226691","2020-10-21","18:00:00",""
"4035229","7.1755","0.0003","13.5398","0.0004","24.583","0.001","90","","90","","90","","2388.36","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","","Cui, Hui; Liu, Yena; Li, Jing; Huang, Xishan; Yan, Tao; Cao, Wenhao; Liu, Hongju; Long, Yuhua; She, Zhigang","Diaporindenes A-D: Four Unusual 2,3-Dihydro-1 H-indene Analogues with Anti-inflammatory Activities from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.","The Journal of organic chemistry","2018","83","19","11804","11813","10.1021/acs.joc.8b01738","","","1.54178","CuKα","","0.0436","0.0392","","","0.1016","0.1052","","","","","","1.054","","","","has coordinates","226704","2020-10-21","18:00:00",""
"4035232","5.12421","0.00008","18.41","0.0003","24.5471","0.0003","90","","90","","90","","2315.69","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O3 S -","- C27 H26 N2 O3 S -","- C108 H104 N8 O12 S4 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","1.54178","CuKα","","0.0886","0.0785","","","0.219","0.2271","","","","","","1.058","","","","has coordinates,has disorder","226705","2020-10-21","18:00:00",""
"4035234","8.885","0.0005","15.6428","0.0009","15.7705","0.0011","90","","90","","90","","2191.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg","Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers.","The Journal of organic chemistry","2018","83","19","12007","12022","10.1021/acs.joc.8b01925","","","0.71073","MoKα","","0.066","0.0533","","","0.1241","0.1305","","","","","","1.055","","","","has coordinates","226705","2020-10-21","18:00:00",""
"4035250","9.6314","0.0004","13","0.0007","13.9519","0.0008","90","","90","","90","","1746.89","0.16","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl N O2 -","- C16 H24 Cl N O2 -","- C64 H96 Cl4 N4 O8 -","4","1","","Jian, Jia-Hong; Hsu, Chih-Lung; Syu, Jin-Fong; Kuo, Ting-Shen; Tsai, Ming-Kang; Wu, Ping-Yu; Wu, Hsyueh-Liang","Access to β<sup>2</sup>-Amino Acids via Enantioselective 1,4-Arylation of β-Nitroacrylates Catalyzed by Chiral Rhodium Catalysts.","The Journal of organic chemistry","2018","83","19","12184","12191","10.1021/acs.joc.8b00586","","","0.71073","MoKα","","0.068","0.0425","","","0.0985","0.1183","","","","","","1.065","","","","has coordinates","226716","2020-10-21","18:00:00",""
"4035256","5.8934","0.0001","9.8741","0.0002","17.8348","0.0003","90","","90","","90","","1037.84","0.03","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Kim, Hyeong Rae; Achary, Raghavendra; Lee, Hyeon-Kyu","DBU-Promoted Dynamic Kinetic Resolution in Rh-Catalyzed Asymmetric Transfer Hydrogenation of 5-Alkyl Cyclic Sulfamidate Imines: Stereoselective Synthesis of Functionalized 1,2-Amino Alcohols.","The Journal of organic chemistry","2018","83","19","11987","11999","10.1021/acs.joc.8b01892","","","0.71073","MoKα","","0.0388","0.0351","","","0.0975","0.1005","","","","","","1.009","","","","has coordinates","226722","2020-10-21","18:00:00",""
"4035257","8.78244","0.00012","10.0199","0.00014","18.3347","0.0002","90","","90","","90","","1613.44","0.04","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Ogawa, Yuya; Kato, Marina; Sasaki, Ikuo; Sugimura, Hideyuki","Total Synthesis of (+)-Pyrenolide D.","The Journal of organic chemistry","2018","83","19","12315","12319","10.1021/acs.joc.8b02003","","","1.54184","CuKα","","0.0329","0.0303","","","0.0865","0.0983","","","","","","1.136","","","","has coordinates","226723","2020-10-21","18:00:00",""
"4035258","5.9955","0.0001","13.9616","0.0002","27.0117","0.0005","90","","90","","90","","2261.06","0.06","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Cl N3 O6 S -","- C21 H26 Cl N3 O6 S -","- C84 H104 Cl4 N12 O24 S4 -","4","1","","Reddy Guduru, Shiva Krishna; Chamakuri, Srinivas; Raji, Idris O.; MacKenzie, Kevin R.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 3-Substituted Piperazine-2-acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2018","83","19","11777","11793","10.1021/acs.joc.8b01708","","","1.54178","CuKα","","0.0189","0.0188","","","0.0509","0.0512","","","","","","1.054","","","","has coordinates","226724","2020-10-21","18:00:00",""
"4035259","7.4329","0.0002","14.0813","0.0004","18.3821","0.0005","90","","90","","90","","1923.96","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N3 O6 S -","- C17 H25 N3 O6 S -","- C68 H100 N12 O24 S4 -","4","1","","Reddy Guduru, Shiva Krishna; Chamakuri, Srinivas; Raji, Idris O.; MacKenzie, Kevin R.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 3-Substituted Piperazine-2-acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2018","83","19","11777","11793","10.1021/acs.joc.8b01708","","","1.54178","CuKα","","0.0211","0.0207","","","0.0545","0.0552","","","","","","1.051","","","","has coordinates","226725","2020-10-21","18:00:00",""
"4035260","8.6172","0.0002","11.8985","0.0004","27.2367","0.0008","90","","90","","90","","2792.63","0.14","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N3 O8 S -","- C26 H33 N3 O8 S -","- C104 H132 N12 O32 S4 -","4","1","","Reddy Guduru, Shiva Krishna; Chamakuri, Srinivas; Raji, Idris O.; MacKenzie, Kevin R.; Santini, Conrad; Young, Damian W.","Synthesis of Enantiomerically Pure 3-Substituted Piperazine-2-acetic Acid Esters as Intermediates for Library Production.","The Journal of organic chemistry","2018","83","19","11777","11793","10.1021/acs.joc.8b01708","","","1.54178","CuKα","","0.021","0.0208","","","0.0561","0.0562","","","","","","1.055","","","","has coordinates","226726","2020-10-21","18:00:00",""
"4035267","6.7283","0.0001","9.5441","0.0002","15.1689","0.0004","90","","90","","90","","974.08","0.04","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C48 H36 N4 O12 -","4","1","","Qiu, Yun; Dlugosch, Michael; Liu, Xin; Khan, Faiyaz; Ward, Jas S.; Lan, Ping; Banwell, Martin G.","Reductive Cyclization of o-Nitroarylated-α,β-unsaturated Aldehydes and Ketones with TiCl<sub>3</sub>/HCl or Fe/HCl Leading to 1,2,3,9-Tetrahydro-4 H-carbazol-4-ones and Related Heterocycles.","The Journal of organic chemistry","2018","83","19","12023","12033","10.1021/acs.joc.8b01940","","x-ray","1.54184","CuKα","","0.0392","0.0383","","","0.1001","0.1021","","","","","","1.05","","","","has coordinates","226733","2020-10-21","18:00:00",""
"4035274","6.8682","0.0002","9.621","0.0004","18.8039","0.0008","90","","90","","90","","1242.54","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","Fang, Lizhen; Zhao, Fangfei; Hu, Shuyu; Han, Lili; Hu, Xiaojing; Wang, Mingyong; Sun, Qianqian; Wu, Huipan","Dynamic Kinetic Resolution for Construction of Three Transannular Stereocenters of Dihydrobenzofuranols.","The Journal of organic chemistry","2018","83","19","12213","12220","10.1021/acs.joc.8b01613","","x-ray","1.54184","CuKα","","0.0404","0.0376","","","0.0994","0.1024","","","","","","1.047","","","","has coordinates","226740","2020-10-21","18:00:00",""
"4035279","10.1424","0.0012","10.9573","0.0013","19.058","0.002","90","","90","","90","","2118","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl F3 N2 O3 -","- C20 H20 Cl F3 N2 O3 -","- C80 H80 Cl4 F12 N8 O12 -","4","1","","Wei, Liang; Li, Qing-Hua; Wang, Chun-Jiang","Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Ylides with Fluorinated Imines: The Expanded Scope and Mechanism Insights.","The Journal of organic chemistry","2018","83","19","11814","11824","10.1021/acs.joc.8b01743","","","0.71073","MoKα","","0.0349","0.033","","","0.0865","0.0885","","","","","","1.028","","","","has coordinates","226745","2020-10-21","18:00:00",""
"4035285","8.7532","0.0003","9.7766","0.0003","11.3827","0.0003","90","","90","","90","","974.09","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 F2 N O -","- C11 H11 F2 N O -","- C44 H44 F8 N4 O4 -","4","1","","Xi, Ning; Sun, Xiaohua; Li, Minxiong; Sun, Mingming; Xi, Michael A.; Zhan, Zeping; Yao, Jia; Bai, Xu; Wu, Yanjun; Liao, Min","Noncovalent Interactions of Fluorine with Amide and CH<sub>2</sub> Groups in N-Phenyl γ-Lactams: Covalently Identical Fluorine Atoms in Nonequivalent Chemical Environments.","The Journal of organic chemistry","2018","83","19","11586","11594","10.1021/acs.joc.8b01562","","","1.54178","CuKα","","0.0361","0.0327","","","0.0801","0.0827","","","","","","1.071","","","","has coordinates","226751","2020-10-21","18:00:00",""
"4035287","6.9511","0.0002","14.8231","0.0006","18.5823","0.0007","90","","90","","90","","1914.66","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 F2 N2 O4 -","- C21 H18 F2 N2 O4 -","- C84 H72 F8 N8 O16 -","4","1","","Xi, Ning; Sun, Xiaohua; Li, Minxiong; Sun, Mingming; Xi, Michael A.; Zhan, Zeping; Yao, Jia; Bai, Xu; Wu, Yanjun; Liao, Min","Noncovalent Interactions of Fluorine with Amide and CH<sub>2</sub> Groups in N-Phenyl γ-Lactams: Covalently Identical Fluorine Atoms in Nonequivalent Chemical Environments.","The Journal of organic chemistry","2018","83","19","11586","11594","10.1021/acs.joc.8b01562","","","1.54178","CuKα","","0.0619","0.054","","","0.1246","0.1341","","","","","","1.104","","","","has coordinates","226751","2020-10-21","18:00:00",""
"4035289","8.3394","0.0007","8.791","0.0007","22.1495","0.0018","90","","90","","90","","1623.8","0.2","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O -","- C19 H28 N2 O -","- C76 H112 N8 O4 -","4","1","","DeForest, Jacob C.; Samame, Renzo A.; Suryn, Gregory; Burtea, Alexander; Rychnovsky, Scott D.","Second-Generation Synthesis of (+)-Fastigiatine Inspired by Conformational Studies.","The Journal of organic chemistry","2018","83","16","8914","8925","10.1021/acs.joc.8b01144","","","0.71073","MoKα","","0.0363","0.0334","","","0.0839","0.0865","","","","","","1.048","","","","has coordinates","226753","2020-10-21","18:00:00",""
"4035290","4.957","0.0008","14.3567","0.0019","19.457","0.003","90","","90","","90","","1384.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 F N O2 -","- C18 H11 F N O2 -","- C72 H44 F4 N4 O8 -","4","1","","Choudhary, Sachin; Pawar, Amol Prakash; Yadav, Jyothi; Sharma, Devinder Kumar; Kant, Rajni; Kumar, Indresh","One-Pot Synthesis of Chiral Tetracyclic Dibenzo[ b, f][1,4]oxazepine-Fused 1,2-Dihydropyridines (DHPs) under Metal-Free Conditions.","The Journal of organic chemistry","2018","83","16","9231","9239","10.1021/acs.joc.8b01232","","","0.71073","MoKα","","0.226","0.1279","","","0.2552","0.323","","","","","","1.057","","","","has coordinates","226754","2020-10-21","18:00:00",""
"4035313","9.6425","0.001","12.1438","0.0014","20.772","0.002","90","","90","","90","","2432.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Cl2 N2 O7 -","- C24 H22 Cl2 N2 O7 -","- C96 H88 Cl8 N8 O28 -","4","1","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.","The Journal of organic chemistry","2018","83","16","8936","8952","10.1021/acs.joc.8b01020","","","0.71073","MoKα","","0.1162","0.0449","","","0.099","0.1287","","","","","","0.992","","","","has coordinates","226777","2020-10-21","18:00:00",""
"4035314","9.6537","0.0004","10.4079","0.0004","23.45","0.0009","90","","90","","90","","2356.13","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl N2 O7 -","- C24 H23 Cl N2 O7 -","- C96 H92 Cl4 N8 O28 -","4","1","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.","The Journal of organic chemistry","2018","83","16","8936","8952","10.1021/acs.joc.8b01020","","","0.71073","MoKα","","0.0375","0.0313","","","0.0824","0.0873","","","","","","1.065","","","","has coordinates","226778","2020-10-21","18:00:00",""
"4035315","9.9064","0.0007","14.4276","0.001","16.9123","0.0011","90","","90","","90","","2417.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N2 O7 -","- C23 H27 Cl N2 O7 -","- C92 H108 Cl4 N8 O28 -","4","1","","Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy","Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.","The Journal of organic chemistry","2018","83","16","8936","8952","10.1021/acs.joc.8b01020","","","0.71073","MoKα","","0.0547","0.0353","","","0.0828","0.0938","","","","","","1.029","","","","has coordinates","226779","2020-10-21","18:00:00",""
"4035317","6.7516","0.0003","11.9488","0.0005","15.6306","0.0007","90","","90","","90","","1260.98","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Uemura, Naohiro; Toyoda, Seiya; Ishikawa, Hiroki; Yoshida, Yasushi; Mino, Takashi; Kasashima, Yoshio; Sakamoto, Masami","Asymmetric Diels-Alder Reaction Involving Dynamic Enantioselective Crystallization.","The Journal of organic chemistry","2018","83","16","9300","9304","10.1021/acs.joc.8b01273","","","1.54178","CuKα","","0.0464","0.0463","","","0.1263","0.1263","","","","","","1.114","","","","has coordinates","226781","2020-10-21","18:00:00",""
"4035322","7.9251","0.0007","9.4318","0.0009","22.324","0.002","90","","90","","90","","1668.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","Brewster, 2nd, James T; Zafar, Hadiqa; McVeigh, Matthew; Wight, Christopher D.; Anguera, Gonzalo; Steinbrück, Axel; Lynch, Vincent M.; Sessler, Jonathan L.","Gram-Scale Synthesis of a Bench-Stable 5,5″-Unsubstituted Terpyrrole.","The Journal of organic chemistry","2018","83","16","9568","9570","10.1021/acs.joc.8b01333","","","0.71073","MoKα","","0.0521","0.0386","","","0.0772","0.082","","","","","","1.034","","","","has coordinates","226786","2020-10-21","18:00:00",""
"4035324","10.2525","0.0003","11.9028","0.0003","16.368","0.0005","90","","90","","90","","1997.44","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br I N2 O3 -","- C20 H18 Br I N2 O3 -","- C80 H72 Br4 I4 N8 O12 -","4","1","","Barát, Viktor; Csókás, Dániel; Bates, Roderick W.","Synthesis of (-)-Cytisine Using a 6- endo aza-Michael Addition.","The Journal of organic chemistry","2018","83","16","9088","9095","10.1021/acs.joc.8b01156","","","0.71073","MoKα","","0.0838","0.0455","","","0.056","0.0653","","","","","","1.006","","","","has coordinates","226788","2020-10-21","18:00:00",""
"4035327","16.5113","0.0004","18.4826","0.0004","31.1034","0.0007","90","","90","","90","","9491.9","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 Cl4 N2 -","- C32 H36 Cl4 N2 -","- C384 H432 Cl48 N24 -","12","3","","Ping, Lucy; Bak, JungMin; Kim, Youngmee; Bouffard, Jean","Addition, Substitution, and Ring-Contraction Reactions of Quinones with N-Heterocyclic Carbenes.","The Journal of organic chemistry","2018","83","16","9240","9249","10.1021/acs.joc.8b01236","","","0.71073","MoKα","","0.0757","0.0437","","","0.0838","0.0983","","","","","","1.035","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4035334","10.8651","0.0007","13.3406","0.0009","14.6164","0.001","90","","90","","90","","2118.6","0.2","173","","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O8 -","- C24 H24 O8 -","- C96 H96 O32 -","4","1","","Tsukamoto, Hirokazu; Hanada, Shogo; Nomura, Yumi; Doi, Takayuki","Total Synthesis of Spiromamakone A and Structure Revision of Spiropreussione A.","The Journal of organic chemistry","2018","83","16","9430","9441","10.1021/acs.joc.8b01075","","","0.71075","MoKα","","0.0639","0.0492","","","0.104","0.1175","","","","","","1.228","","","","has coordinates","226798","2020-10-21","18:00:00",""
"4035357","6.1623","0.0002","15.6222","0.0007","21.7282","0.001","90","","90","","90","","2091.75","0.15","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C100 H92 N4 O12 S4 -","4","1","","Peng, Cheng; Zhang, Jingyi; Xue, Jian; Li, Siqi; Wang, Xiao-Na; Chang, Junbiao","Lewis Acids Catalyzed Annulations of Ynamides with Acyl Chlorides for Constructing 4-Amino-2-naphthol Derivatives and 3-Aminocyclobutenones.","The Journal of organic chemistry","2018","83","16","9256","9266","10.1021/acs.joc.8b01255","","","0.71073","MoKα","","0.0388","0.0325","","","0.0957","0.1066","","","","","","0.733","","","","has coordinates","226814","2020-10-21","18:00:00",""
"4035361","10.9251","0.0004","11.449","0.0004","24.836","0.001","90","","90","","90","","3106.5","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 Br F3 N3 O4 S2 -","- C30 H23 Br F3 N3 O4 S2 -","- C120 H92 Br4 F12 N12 O16 S8 -","4","1","","Song, Yong-Xing; Du, Da-Ming","Asymmetric Construction of Bispiro[oxindole-pyrrolidine-rhodanine]s via Squaramide-Catalyzed Domino Michael/Mannich [3 + 2] Cycloaddition of Rhodanine Derivatives with N-(2,2,2-Trifluoroethyl)isatin Ketimines.","The Journal of organic chemistry","2018","83","16","9278","9290","10.1021/acs.joc.8b01245","","","0.71073","MoKα","","0.0502","0.0405","","","0.1059","0.1117","","","","","","1.032","","","","has coordinates","226818","2020-10-21","18:00:00",""
"4035371","6.8668","0.0002","14.1172","0.0003","14.397","0.0004","90","","90","","90","","1395.65","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 N2 O -","- C20 H12 N2 O -","- C80 H48 N8 O4 -","4","1","","Dong, Chao-Chen; Xiang, Jun-Feng; Xu, Li-Jin; Gong, Han-Yuan","From CO<sub>2</sub> to 4 H-Quinolizin-4-ones: A One-Pot Multicomponent Approach via Ag<sub>2</sub>O/Cs<sub>2</sub>CO<sub>3</sub> Orthogonal Tandem Catalysis.","The Journal of organic chemistry","2018","83","16","9561","9567","10.1021/acs.joc.8b01206","","","1.54184","CuKα","","0.0677","0.0589","","","0.1721","0.181","","","","","","1.003","","","","has coordinates","226828","2020-10-21","18:00:00",""
"4035389","11.643","0.002","14.76","0.003","15.957","0.003","90","","90","","90","","2742.2","0.9","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Br N3 O5 S -","- C29 H26 Br N3 O5 S -","- C116 H104 Br4 N12 O20 S4 -","4","1","","Zhao, Hong-Wu; Feng, Ning-Ning; Guo, Jia-Ming; Du, Juan; Ding, Wan-Qiu; Wang, Li-Ru; Song, Xiu-Qing","Diastereoselective and Enantioselective Synthesis of Barbiturate-Fused Spirotetrahydroquinolines via Chiral Palladium(0)/Ligand Complex Catalyzed [4 + 2] Cycloaddition of Vinyl Benzoxazinanones with Barbiturate-Based Olefins.","The Journal of organic chemistry","2018","83","16","9291","9299","10.1021/acs.joc.8b01268","","","0.71073","MoKα","","0.0648","0.0443","","","0.0737","0.0799","","","","","","1.007","","","","has coordinates","226846","2020-10-21","18:00:00",""
"4035400","5.9816","0.0001","13.6923","0.0003","21.4173","0.0005","90","","90","","90","","1754.12","0.06","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Cl2 N2 Zn -","- C16 H22 Cl2 N2 Zn -","- C64 H88 Cl8 N8 Zn4 -","4","1","","Kinens, Artis; Balkaitis, Simonas; Suna, Edgars","Preparative-Scale Synthesis of Vedejs Chiral DMAP Catalysts.","The Journal of organic chemistry","2018","83","20","12449","12459","10.1021/acs.joc.8b01687","","","0.71073","MoKα","","0.0562","0.0386","","","0.0702","0.0755","","","","","","1.001","","","","has coordinates","226858","2020-10-21","18:00:00",""
"4035406","5.7993","0.0004","16.3444","0.0011","21.7331","0.0014","90","","90","","90","","2060","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 N O3 S Si -","- C16 H31 N O3 S Si -","- C64 H124 N4 O12 S4 Si4 -","4","1","","Fernández-Sánchez, Luis; Fernández-Salas, José A; Maestro, M. Carmen; García Ruano, Jose L","Reformatsky Reaction to Alkynyl N- tert-Butanesulfinyl Imines: Lewis Acid Controlled Stereodivergent Synthesis of β-Alkynyl-β-Amino Acids.","The Journal of organic chemistry","2018","83","20","12903","12910","10.1021/acs.joc.8b01918","","","0.71073","MoKα","","0.0419","0.0355","","","0.0898","0.1155","","","","","","1.006","","","","has coordinates","226864","2020-10-21","18:00:00",""
"4035422","11.3893","0.0003","14.6404","0.0004","20.3796","0.0005","90","","90","","90","","3398.17","0.15","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H34 O2 P2 -","- C41 H34 O2 P2 -","- C164 H136 O8 P8 -","4","1","","Huang, Jian; Hong, Mao; Wang, Chuan-Chuan; Kramer, Søren; Lin, Guo-Qiang; Sun, Xing-Wen","Asymmetric Synthesis of Chiral Spiroketal Bisphosphine Ligands and Their Application in Enantioselective Olefin Hydrogenation.","The Journal of organic chemistry","2018","83","20","12838","12846","10.1021/acs.joc.8b01693","","","0.71073","","","0.0365","0.0312","","","0.0779","0.0819","","","","","","1.043","","","","has coordinates","226880","2020-10-21","18:00:00",""
"4035430","7.0525","0.0003","12.6404","0.0006","21.5366","0.0009","90","","90","","90","","1919.91","0.15","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Ma, Xiaoshen; Kucera, Roman; Goethe, Olivia F.; Murphy, Stephen K.; Herzon, Seth B.","Directed C-H Bond Oxidation of (+)-Pleuromutilin.","The Journal of organic chemistry","2018","83","13","6843","6892","10.1021/acs.joc.8b00462","","","0.71073","MoKα","","0.0415","0.035","","","0.0808","0.0832","","","","","","1.051","","","","has coordinates","226888","2020-10-21","18:00:00",""
"4035444","9.47108","0.00012","11.24253","0.00017","30.714","0.0004","90","","90","","90","","3270.39","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 O6 Si2 -","- C30 H54 O6 Si2 -","- C120 H216 O24 Si8 -","4","1","","Wang, Kuang-Yu; Liu, Dong-Dong; Sun, Tian-Wen; Lu, Yong; Zhang, Su-Lei; Li, Yuan-He; Han, Yi-Xin; Liu, Hao-Yuan; Peng, Cheng; Wang, Qin-Yang; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Lancifodilactone G Acetate. 2. Final Phase and Completion of the Total Synthesis.","The Journal of organic chemistry","2018","83","13","6907","6923","10.1021/acs.joc.7b02917","","","1.5418","CuKα","","0.0338","0.0336","","","0.0884","0.0885","","","","","","1.086","","","","has coordinates","226899","2020-10-21","18:00:00",""
"4035453","22.5648","0.0012","20.7782","0.0014","7.6518","0.0004","90","","90","","90","","3587.6","0.4","283.15","0.1","283.15","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 O8 -","- C42 H42 O8 -","- C168 H168 O32 -","4","1","","Wang, Yong; Liu, Miao; Liu, Lei; Xia, Jian-Hui; Du, Yu-Guo; Sun, Jian-Song","The Structural Revision and Total Synthesis of Carambolaflavone A.","The Journal of organic chemistry","2018","83","7","4111","4118","10.1021/acs.joc.8b00008","","x-ray","0.71073","MoKα","","0.0606","0.0452","","","0.091","0.0984","","","","","","1.079","","","","has coordinates","226908","2020-10-21","18:00:00",""
"4035457","7.9088","0.0004","12.3678","0.0006","29.3373","0.0015","90","","90","","90","","2869.6","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O5 S -","- C16 H13 N O5 S -","- C128 H104 N8 O40 S8 -","8","2","","Achary, Raghavendra; Jung, In-A; Lee, Hyeon-Kyu","Tandem Rh-Catalyzed Oxidative C-H Olefination and Cyclization of Enantiomerically Enriched Benzo-1,3-Sulfamidates: Stereoselective Synthesis of trans-1,3-Disubstituted Isoindolines.","The Journal of organic chemistry","2018","83","7","3864","3878","10.1021/acs.joc.8b00204","","","0.71073","MoKα","","0.0353","0.0307","","","0.0693","0.0719","","","","","","1.038","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4035459","5.63132","0.00006","12.43413","0.0001","19.06466","0.00016","90","","90","","90","","1334.92","0.02","100","0.1","100","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3S,5S,6R)-6-(4-bromophenyl)-2,3-dimethyl-4-oxobicyclo[3.1.0]hexane -1-carbaldehyde","","- C15 H15 Br O2 -","- C15 H15 Br O2 -","- C60 H60 Br4 O8 -","4","1","","Riaño, Iker; Uria, Uxue; Reyes, Efraím; Carrillo, Luisa; Vicario, Jose L.","Organocatalytic Transannular Approach to Stereodefined Bicyclo[3.1.0]hexanes.","The Journal of organic chemistry","2018","83","7","4180","4189","10.1021/acs.joc.8b00165","","","1.54184","CuKα","","0.0179","0.0174","","","0.0451","0.0454","","","","","","1.094","","","","has coordinates","226914","2020-10-21","18:00:00",""
"4035471","9.3777","0.0009","10.5101","0.0012","13.0183","0.0013","90","","90","","90","","1283.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","","Tsai, Yi-Hsuan; Borini Etichetti, Carla M.; Di Benedetto, Carolina; Girardini, Javier E.; Martins, Felipe Terra; Spanevello, Rolando A.; Suárez, Alejandra G; Sarotti, Ariel M.","Synthesis of Triazole Derivatives of Levoglucosenone As Promising Anticancer Agents: Effective Exploration of the Chemical Space through retro-aza-Michael//aza-Michael Isomerizations.","The Journal of organic chemistry","2018","83","7","3516","3528","10.1021/acs.joc.7b03141","","","0.71073","MoKα","","0.0489","0.0396","","","0.0998","0.1053","","","","","","1.051","","","","has coordinates","226926","2020-10-21","18:00:00",""
"4035488","8.2463","0.0002","10.3683","0.0003","19.3151","0.0005","90","","90","","90","","1651.44","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Craig, 2nd, Robert A; Smith, Russell C.; Roizen, Jennifer L.; Jones, Amanda C.; Virgil, Scott C.; Stoltz, Brian M.","Development of a Unified Enantioselective, Convergent Synthetic Approach Toward the Furanobutenolide-Derived Polycyclic Norcembranoid Diterpenes: Asymmetric Formation of the Polycyclic Norditerpenoid Carbocyclic Core by Tandem Annulation Cascade.","The Journal of organic chemistry","2018","83","7","3467","3485","10.1021/acs.joc.7b02825","","","1.54178","CuKα","","0.0268","0.0252","","","0.0607","0.0619","","","","","","1.07","","","","has coordinates","226940","2020-10-21","18:00:00",""
"4035489","6.2274","0.00018","14.7184","0.0005","20.121","0.0006","90","","90","","90","","1844.24","0.1","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.5418","CuKα","","0.0434","0.0399","","","0.1095","0.1153","","","","","","0.885","","","","has coordinates","226941","2020-10-21","18:00:00",""
"4035491","8.722","0.0001","11.3175","0.0001","18.7629","0.0002","90","","90","","90","","1852.11","0.03","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 -","- C21 H32 O3 -","- C84 H128 O12 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Paluch, Piotr; Potrzebowski, Marek J.; Frelek, Jadwiga","In Depth Analysis of Chiroptical Properties of Enones Derived from Abietic Acid.","The Journal of organic chemistry","2018","83","7","3547","3561","10.1021/acs.joc.7b02911","","","1.54184","CuKα","","0.043","0.0427","","","0.112","0.1123","","","","","","1.02","","","","has coordinates,has disorder","226943","2020-10-21","18:00:00",""
"4035507","6.2916","0.0007","11.2924","0.0017","29.789","0.006","90","","90","","90","","2116.4","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 O2 S -","- C25 H30 O2 S -","- C100 H120 O8 S4 -","4","1","","Berthonneau, Clément; Nun, Pierrick; Rivière, Matthieu; Pauvert, Mickael; Dénès, Fabrice; Lebreton, Jacques","Hemisynthesis of 2,3,4-<sup>13</sup>C3-1,4-Androstadien-3,17-dione: A Key Precursor for the Synthesis of <sup>13</sup>C3-Androstanes and <sup>13</sup>C3-Estranes.","The Journal of organic chemistry","2018","83","7","3727","3737","10.1021/acs.joc.7b03216","","x-ray","0.71069","MoKα","","0.1118","0.0531","","","0.054","0.0576","","","","1.42","1.42","1.21","","","","has coordinates","226955","2020-10-21","18:00:00",""
"4035516","6.9058","0.0007","18.5704","0.0012","31.694","0.004","90","","90","","90","","4064.5","0.7","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,3R)-3-(4-Chlorophenyl)-5-oxo-2-phenyl-3,5-dihydro-2H-cyclopenta[a]naphthalene-1-carbaldehyde","","- C26 H17 Cl O2 -","- C26 H17 Cl O2 -","- C208 H136 Cl8 O16 -","8","2","","Skrzyńska, Anna; Romaniszyn, Marta; Pomikło, Dominika; Albrecht, Łukasz","The Application of 2-Benzyl-1,4-naphthoquinones as Pronucleophiles in Aminocatalytic Synthesis of Tricyclic Derivatives.","The Journal of organic chemistry","2018","83","9","5019","5026","10.1021/acs.joc.8b00170","","x-ray","1.54184","CuKα","","0.1321","0.0639","","","0.1344","0.1682","","","","","","0.983","","","","has coordinates,has disorder","226964","2020-10-21","18:00:00",""
"4035517","7.9924","0.0004","10.8848","0.0005","12.0467","0.0005","90","","90","","90","","1048.01","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6S,9aS)-6-Hydroxymethyl-8-methyl-1,2,3,6,9,9a-hexahydroquinolizin-4(4H)-one","","- C11 H17 N O2 -","- C11 H17 N O2 -","- C44 H68 N4 O8 -","4","1","","Alujas-Burgos, Sílvia; Oliveras-González, Cristina; Álvarez-Larena, Ángel; Bayón, Pau; Figueredo, Marta","Iterative Synthetic Strategy for Azaphenalene Alkaloids. Total Synthesis of (-)-9a epi-Hippocasine.","The Journal of organic chemistry","2018","83","9","5052","5057","10.1021/acs.joc.8b00390","","","0.71073","MoKα","","0.0398","0.0388","","","0.1013","0.1024","","","","","","1.064","","","","has coordinates","226965","2020-10-21","18:00:00",""
"4035531","5.66017","0.00017","14.8733","0.0005","15.3378","0.0005","90","","90","","90","","1291.22","0.07","135","","135","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Jia, Lei; Tang, Qiang; Luo, Meiming; Zeng, Xiaoming","Direct ortho-Selective Amination of 2-Naphthol and Its Analogues with Hydrazines.","The Journal of organic chemistry","2018","83","9","5082","5091","10.1021/acs.joc.8b00421","","","0.7107","MoKα","","0.0449","0.0369","","","0.0804","0.0857","","","","","","1.035","","","","has coordinates","226979","2020-10-21","18:00:00",""
"4035542","21.9246","0.0007","15.7608","0.0005","6.6049","0.0002","90","","90","","90","","2282.32","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N3 O3 -","- C26 H31 N3 O3 -","- C104 H124 N12 O12 -","4","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0556","0.053","","","0.1627","0.1646","","","","","","1.033","","","","has coordinates","226990","2020-10-21","18:00:00",""
"4035545","8.149","0.0001","9.8593","0.0001","28.656","0.0002","90","","90","","90","","2302.32","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N3 O4 -","- C26 H28 N3 O4 -","- C104 H112 N12 O16 -","4","1","","Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui","Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.","The Journal of organic chemistry","2018","83","15","8483","8492","10.1021/acs.joc.8b01087","","x-ray","1.54184","CuKα","","0.0756","0.0738","","","0.1731","0.1749","","","","","","1.034","","","","has coordinates,has disorder","226993","2020-10-21","18:00:00",""
"4035559","8.5428","0.0004","17.2873","0.0009","18.2419","0.0008","90","","90","","90","","2694","0.2","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 O5 Si -","- C30 H30 O5 Si -","- C120 H120 O20 Si4 -","4","1","","Tanabe, Genzoh; Manse, Yoshiaki; Ogawa, Teppei; Sonoda, Naoki; Marumoto, Shinsuke; Ishikawa, Fumihiro; Ninomiya, Kiyofumi; Chaipech, Saowanee; Pongpiriyadacha, Yutana; Muraoka, Osamu; Morikawa, Toshio","Total Synthesis of γ-Alkylidenebutenolides, Potent Melanogenesis Inhibitors from Thai Medicinal Plant Melodorum fruticosum.","The Journal of organic chemistry","2018","83","15","8250","8264","10.1021/acs.joc.8b00986","","","0.71075","MoKα","","","0.0371","","","","0.0926","","","","","","0.763","","","","has coordinates","227007","2020-10-21","18:00:00",""
"4035562","8.7431","0.0003","10.3339","0.0003","26.7833","0.0009","90","","90","","90","","2419.88","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21.95 H33 F2.85 I0.05 O7 -","- C21.95 H33 F2.85 I0.05 O7 -","- C87.8 H132 F11.4 I0.2 O28 -","4","1","","Mestre, Jordi; Lishchynskyi, Anton; Castillón, Sergio; Boutureira, Omar","Trifluoromethylation of Electron-Rich Alkenyl Iodides with Fluoroform-Derived ""Ligandless"" CuCF<sub>3</sub>.","The Journal of organic chemistry","2018","83","15","8150","8160","10.1021/acs.joc.8b00927","","","0.71073","MoKα","","0.0375","0.0333","","","0.0867","0.0886","","","","","","1.053","","","","has coordinates,has disorder","227010","2020-10-21","18:00:00",""
"4035586","5.0522","0.0003","8.4389","0.0005","21.7226","0.0011","90","","90","","90","","926.14","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 N3 O -","- C10 H7 N3 O -","- C40 H28 N12 O4 -","4","1","","Sakharov, Pavel A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","2-Diazoacetyl-2 H-azirines: Source of a Variety of 2 H-Azirine Building Blocks with Orthogonal and Domino Reactivity.","The Journal of organic chemistry","2018","83","15","8304","8314","10.1021/acs.joc.8b01004","","x-ray","0.71073","MoKα","","0.0556","0.0508","","","0.1285","0.1315","","","","","","1.076","","","","has coordinates","227034","2020-10-21","18:00:00",""
"4035587","7.4368","0.0002","13.4944","0.0004","18.75","0.0006","90","","90","","90","","1881.66","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Hu, Xinyue; Zhou, Yuhang; Lu, Yan; Zou, Sijia; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Catalytic Asymmetric Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Dioxopyrrolidines with Hetero-Substituted Alkenes.","The Journal of organic chemistry","2018","83","15","8679","8687","10.1021/acs.joc.8b00839","","x-ray","1.54184","CuKα","","0.061","0.055","","","0.1465","0.1548","","","","","","1.049","","","","has coordinates","227035","2020-10-21","18:00:00",""
"4035598","7.7451","0.0002","14.5492","0.0005","15.9101","0.0005","90","","90","","90","","1792.83","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br I O S -","- C19 H14 Br I O S -","- C76 H56 Br4 I4 O4 S4 -","4","1","","Bortoluzzi, Julien; Jha, Vishwajeet; Levitre, Guillaume; Fer, Mickaël J; Berreur, Jordan; Masson, Géraldine; Panossian, Armen; Leroux, Frédéric R","Stereoselectivity Switch in the Trapping of Polar Organometallics with Andersen's Reagent-Access to Highly Stereoenriched Transformable Biphenyls.","The Journal of organic chemistry","2018","83","15","7751","7761","10.1021/acs.joc.8b00648","","","0.71073","MoKα","","0.029","0.0229","","","0.0445","0.0459","","","","","","0.939","","","","has coordinates","227046","2020-10-21","18:00:00",""
"4035599","7.6988","0.0002","14.3742","0.0005","15.9878","0.0006","90","","90","","90","","1769.28","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Cl I O S -","- C19 H14 Cl I O S -","- C76 H56 Cl4 I4 O4 S4 -","4","1","","Bortoluzzi, Julien; Jha, Vishwajeet; Levitre, Guillaume; Fer, Mickaël J; Berreur, Jordan; Masson, Géraldine; Panossian, Armen; Leroux, Frédéric R","Stereoselectivity Switch in the Trapping of Polar Organometallics with Andersen's Reagent-Access to Highly Stereoenriched Transformable Biphenyls.","The Journal of organic chemistry","2018","83","15","7751","7761","10.1021/acs.joc.8b00648","","","0.71073","MoKα","","0.0478","0.0342","","","0.0768","0.096","","","","","","1.12","","","","has coordinates","227047","2020-10-21","18:00:00",""
"4035600","7.8851","0.0003","13.9461","0.0004","16.1582","0.0007","90","","90","","90","","1776.86","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl O2 S -","- C20 H17 Cl O2 S -","- C80 H68 Cl4 O8 S4 -","4","1","","Bortoluzzi, Julien; Jha, Vishwajeet; Levitre, Guillaume; Fer, Mickaël J; Berreur, Jordan; Masson, Géraldine; Panossian, Armen; Leroux, Frédéric R","Stereoselectivity Switch in the Trapping of Polar Organometallics with Andersen's Reagent-Access to Highly Stereoenriched Transformable Biphenyls.","The Journal of organic chemistry","2018","83","15","7751","7761","10.1021/acs.joc.8b00648","","","0.71073","MoKα","","0.0664","0.0427","","","0.0906","0.1045","","","","","","1.07","","","","has coordinates","227049","2020-10-21","18:00:00",""
"4035610","11.211","0.0008","14.2243","0.0011","16.9228","0.0013","90","","90","","90","","2698.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N3 O6 -","- C30 H27 N3 O6 -","- C120 H108 N12 O24 -","4","1","","Lin, Ye; Zhao, Bo-Liang; Du, Da-Ming","Organocatalytic Asymmetric Synthesis of 3,3'-Pyrrolidinyl-bispirooxindoles via Michael/ N-Hemiketalization Cascade Reaction between 3-Aminooxindoles and Isatin-Derived β,γ-Unsaturated α-Keto Esters.","The Journal of organic chemistry","2018","83","15","7741","7750","10.1021/acs.joc.8b00632","","","0.71073","MoKα","","0.0541","0.0424","","","0.1111","0.1184","","","","","","1.013","","","","has coordinates","227059","2020-10-21","18:00:00",""
"4035616","8.0562","0.0004","11.4317","0.0004","23.0771","0.0008","90","","90","","90","","2125.31","0.15","293.38","0.1","293.38","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 S -","- C21 H28 O3 S -","- C84 H112 O12 S4 -","4","1","","Qi, Zhenjie; Jiang, Yong; Wang, Yanyan; Yan, Rulong","tert-Butyl Nitrite Promoted Oxidative Intermolecular Sulfonamination of Alkynes to Synthesize Substituted Sulfonyl Pyrroles from the Alkynylamines and Sulfinic Acids.","The Journal of organic chemistry","2018","83","15","8636","8644","10.1021/acs.joc.8b00741","","","0.71073","MoKα","","0.0607","0.0476","","","0.1044","0.1147","","","","","","1.094","","","","has coordinates","227065","2020-10-21","18:00:00",""
"4035628","6.7121","0.0002","13.5402","0.0004","26.518","0.0008","90","","90","","90","","2410.04","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-7-(4-fluorophenyl)-N2-(3-methoxy-4-(3-methyl-1H-1,2,4-triazol-1-yl)phenyl)-N4-methyl- 6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine","","- C24 H25 Cl F N7 O -","- C24 H25 Cl F N7 O -","- C96 H100 Cl4 F4 N28 O4 -","4","1","","Strotman, Neil A.; Ramirez, Antonio; Simmons, Eric M.; Soltani, Omid; Parsons, Andrew T.; Fan, Yu; Sawyer, James R.; Rosner, Thorsten; Janey, Jacob M.; Tran, Kristy; Li, Jun; La Cruz, Thomas E.; Pathirana, Charles; Ng, Alicia T.; Deerberg, Joerg","Enantioselective Synthesis of a γ-Secretase Modulator via Vinylogous Dynamic Kinetic Resolution.","The Journal of organic chemistry","2018","83","18","11133","11144","10.1021/acs.joc.8b01734","","","1.54178","CuKα","","0.0269","0.0259","","","0.0714","0.0721","","","","","","1.053","","","","has coordinates","227077","2020-10-21","18:00:00",""
"4035635","10.8906","0.0006","13.1404","0.0007","14.9044","0.0008","90","","90","","90","","2132.9","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Br O6 -","- C20 H29 Br O6 -","- C80 H116 Br4 O24 -","4","1","","Takagi, Ryukichi; Fujii, Emi; Kondo, Hirotoshi","Enantioselective Michael Reaction of Cyclic β-Ketoesters with Morita-Baylis-Hillman Derivatives Using a Phase-Transfer Catalyst.","The Journal of organic chemistry","2018","83","18","11191","11203","10.1021/acs.joc.8b01777","","","0.71073","MoKa","","0.0222","0.0201","","","0.047","0.0474","","","","","","0.918","","","","has coordinates","227084","2020-10-21","18:00:00",""
"4035637","8.715","0.003","14.329","0.006","21.298","0.009","90","","90","","90","","2659.6","1.8","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Br N O3 S -","- C25 H36 Br N O3 S -","- C100 H144 Br4 N4 O12 S4 -","4","1","","Reddy, Arava Amaranadha; Prasad, Kavirayani R.","Addition of the Lithium Anion of Diphenylmethanol Methyl/Methoxymethyl Ether to Nonracemic Sulfinimines: Two-Step Asymmetric Synthesis of Diphenylprolinol Methyl Ether and Chiral (Diphenylmethoxymethyl)amines.","The Journal of organic chemistry","2018","83","18","10776","10785","10.1021/acs.joc.8b01381","","x-ray","0.71076","MoKα","","0.0868","0.0574","","","0.1397","0.1569","","","","","","1.02","","","","has coordinates","227086","2020-10-21","18:00:00",""
"4035640","5.6211","0.0005","10.32","0.0013","36.416","0.005","90","","90","","90","","2112.5","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 F N3 O4 S -","- C24 H20 F N3 O4 S -","- C96 H80 F4 N12 O16 S4 -","4","1","","Strelnikova, Julia O.; Rostovskii, Nikolai V.; Starova, Galina L.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","Rh(II)-Catalyzed Transannulation of 1,2,4-Oxadiazole Derivatives with 1-Sulfonyl-1,2,3-triazoles: Regioselective Synthesis of 5-Sulfonamidoimidazoles.","The Journal of organic chemistry","2018","83","18","11232","11244","10.1021/acs.joc.8b01809","","","0.71073","MoKα","","0.1252","0.0883","","","0.1595","0.1819","","","","","","1.09","","","","has coordinates","227089","2020-10-21","18:00:00",""
"4035641","14.274","0.004","14.345","0.004","27.42","0.008","90","","90","","90","","5615","3","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H51 N9 O12 -","- C64 H51 N9 O12 -","- C256 H204 N36 O48 -","4","1","","Ema, Tadashi; Yamasaki, Takayuki; Watanabe, Sagiri; Hiyoshi, Mahoko; Takaishi, Kazuto","Cross-Coupling Approach to an Array of Macrocyclic Receptors Functioning as Chiral Solvating Agents.","The Journal of organic chemistry","2018","83","18","10762","10769","10.1021/acs.joc.8b01327","","","0.71075","MoKα","","0.0433","0.0407","","","0.1043","0.107","","","","","","1","","","","has coordinates,has disorder","227090","2020-10-21","18:00:00",""
"4035648","6.7378","0.0003","8.7192","0.0004","24.6946","0.0012","90","","90","","90","","1450.76","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Carreras, Javier; Popowski, Yanay; Caballero, Ana; Amir, Elizabeth; Pérez, Pedro J","Catalytic Functionalization of C-H Bonds of Azulene by Carbene/Nitrene Incorporation.","The Journal of organic chemistry","2018","83","18","11125","11132","10.1021/acs.joc.8b01731","","x-ray","0.71073","MoKα","","0.0336","0.0306","","","0.079","0.0808","","","","","","1.065","","","","has coordinates","227097","2020-10-21","18:00:00",""
"4035654","6.50908","0.00006","8.4466","0.0001","29.2131","0.0003","90","","90","","90","","1606.12","0.03","99.97","0.15","99.97","0.15","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Wang, Zhi-Peng; Xiang, Sichuan; Shao, Pan-Lin; He, Yun","Catalytic Asymmetric [3 + 2] Cycloaddition Reaction between Aurones and Isocyanoacetates: Access to Spiropyrrolines via Silver Catalysis.","The Journal of organic chemistry","2018","83","18","10995","11007","10.1021/acs.joc.8b01622","","x-ray","1.54184","CuKα","","0.0403","0.0402","","","0.0996","0.0996","","","","","","1.263","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4035655","9.82226","0.00011","14.71407","0.00018","30.9505","0.0003","90","","90","","90","","4473.13","0.09","99.97","0.12","99.97","0.12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3.3 H2.79 Cl0.13 N0.13 O0.51 -","- C3.30159 H2.79365 Cl0.125397 N0.126984 O0.507937 -","- C208 H176 Cl7.9 N8 O32 -","63","15.75","","Wang, Zhi-Peng; Xiang, Sichuan; Shao, Pan-Lin; He, Yun","Catalytic Asymmetric [3 + 2] Cycloaddition Reaction between Aurones and Isocyanoacetates: Access to Spiropyrrolines via Silver Catalysis.","The Journal of organic chemistry","2018","83","18","10995","11007","10.1021/acs.joc.8b01622","","x-ray","1.54184","CuKα","","0.0367","0.0344","","","0.0855","0.0868","","","","","","1.043","","","","has coordinates,has disorder","227103","2020-10-21","18:00:00",""
"4035690","7.3373","0.0007","10.0709","0.0008","17.0758","0.0016","90","","90","","90","","1261.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 F N O2 S -","- C12 H16 F N O2 S -","- C48 H64 F4 N4 O8 S4 -","4","1","","Huang, Wei; Yao, Yun; Xu, Yan-Jun; Lu, Chong-Dao","Diastereoselective α-Fluorination of N- tert-Butanesulfinyl Imidates.","The Journal of organic chemistry","2018","83","23","14777","14785","10.1021/acs.joc.8b02375","","x-ray","0.71073","MoKα","","0.0399","0.0363","","","0.0783","0.0803","","","","","","1.013","","","","has coordinates","227138","2020-10-21","18:00:00",""
"4035707","8.2785","0.0008","8.9957","0.0009","26.839","0.003","90","","90","","90","","1998.7","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Br N O3 Si -","- C20 H22 Br N O3 Si -","- C80 H88 Br4 N4 O12 Si4 -","4","1","","Shi, Yongjia; Gao, Qian; Xu, Senmiao","NHC-Copper-Catalyzed Asymmetric Dearomative Silylation of Indoles.","The Journal of organic chemistry","2018","83","23","14758","14767","10.1021/acs.joc.8b02308","","","0.71073","MoKα","","0.0519","0.0305","","","0.0561","0.0658","","","","","","0.998","","","","has coordinates","227156","2020-10-21","18:00:00",""
"4035709","10.916","0.0011","14.1012","0.0014","16.5017","0.0017","90","","90","","90","","2540.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 F N2 O2 S -","- C31 H27 F N2 O2 S -","- C124 H108 F4 N8 O8 S4 -","4","1","","Wani, Imtiyaz Ahmad; Das, Subhomoy; Mondal, Shobhan; Ghorai, Manas K.","Stereoselective Construction of Pyrazinoindoles and Oxazinoindoles via Ring-Opening/Pictet-Spengler Reaction of Aziridines and Epoxides with 3-Methylindoles and Carbonyls.","The Journal of organic chemistry","2018","83","23","14553","14567","10.1021/acs.joc.8b02339","","","0.71073","MoKα","","0.113","0.0611","","","0.1069","0.1289","","","","","","1.065","","","","has coordinates","227158","2020-10-21","18:00:00",""
"4035718","11.9046","0.0017","12.6632","0.0018","18.593","0.003","90","","90","","90","","2802.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O3 S -","- C30 H36 N2 O3 S -","- C120 H144 N8 O12 S4 -","4","1","","Shen, Xianfu; Zhao, Jingfeng; Xi, Yongkai; Chen, Wen; Zhou, Yongyun; Yang, Xiaodong; Zhang, Hongbin","Enantioselective Total Synthesis of (+)-Nocardioazine B.","The Journal of organic chemistry","2018","83","23","14507","14517","10.1021/acs.joc.8b02329","","","0.71073","MoKα","","0.0426","0.0345","","","0.082","0.0862","","","","","","1.024","","","","has coordinates","227166","2020-10-21","18:00:00",""
"4035743","10.0281","0.0003","13.8303","0.0003","14.9525","0.0003","90","","90","","90","","2073.79","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O5 -","- C23 H34 O5 -","- C92 H136 O20 -","4","1","","Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.","Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.","The Journal of organic chemistry","2018","83","21","13276","13286","10.1021/acs.joc.8b02095","","","1.54184","CuKα","","0.0586","0.046","","","0.1059","0.1164","","","","","","1.018","","","","has coordinates","227191","2020-10-21","18:00:00",""
"4035767","10.689","0.005","11.005","0.005","22.45","0.01","90","","90","","90","","2641","2","296","1","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N O8 -","- C26 H35 N O8 -","- C104 H140 N4 O32 -","4","1","","Vlahoviček-Kahlina, Kristina; Vazdar, Mario; Jakas, Andreja; Smrečki, Vilko; Jerić, Ivanka","Synthesis of Glycomimetics by Diastereoselective Passerini Reaction.","The Journal of organic chemistry","2018","83","21","13146","13156","10.1021/acs.joc.8b01874","","x-ray","1.54179","CuKα","","0.0699","0.0642","","","0.1701","0.1806","","","","","","0.998","","","","has coordinates","227208","2020-10-21","18:00:00",""
"4035775","6.5496","0.0004","10.8428","0.0006","27.6666","0.0015","90","","90","","90","","1964.77","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","LMC-04-038","LMC-04-038","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","1","","Chapman, Lauren M.; Beck, Jordan C.; Lacker, Caitlin R.; Wu, Linglin; Reisman, Sarah E.","Evolution of a Strategy for the Enantioselective Total Synthesis of (+)-Psiguadial B.","The Journal of organic chemistry","2018","83","11","6066","6085","10.1021/acs.joc.8b00728","","","1.54178","CuKα","","0.03","0.0272","","","0.0655","0.0672","","","","","","1.021","","","","has coordinates","227216","2020-10-21","18:00:00",""
"4035791","8.4214","0.0005","11.5257","0.0007","22.6933","0.0015","90","","90","","90","","2202.7","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Zhou, Yu; Cao, Wen-Bin; Zhang, Ling-Ling; Xu, Xiao-Ping; Ji, Shun-Jun","Ag(I)-Promoted Dehydroxylation and Site-Selective 1,7-Disulfonylation of Diaryl(1 H-indol-2-yl)methanols.","The Journal of organic chemistry","2018","83","11","6056","6065","10.1021/acs.joc.8b00721","","","0.71073","MoKα","","0.0612","0.0415","","","0.0989","0.1099","","","","","","1.073","","","","has coordinates","227223","2020-10-21","18:00:00",""
"4035796","5.1273","0.0014","7.9444","0.0019","30.291","0.007","90","","90","","90","","1233.9","0.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 F6 N2 O4 -","- C24 H28 F6 N2 O4 -","- C48 H56 F12 N4 O8 -","2","0.5","","Cui, Bin; Sun, Hui; Xu, Yibo; Li, Lin; Duan, Lili; Li, Yue-Ming","Mn(OAc)<sub>3</sub>-Mediated Hydrotrifluoromethylation of Unactivated Alkenes Using CF<sub>3</sub>SO<sub>2</sub>Na as the Trifluoromethyl Source.","The Journal of organic chemistry","2018","83","11","6015","6024","10.1021/acs.joc.8b00633","","","0.71073","MoKα","","0.0823","0.0778","","","0.2407","0.2446","","","","","","1.028","","","","has coordinates","227228","2020-10-21","18:00:00",""
"4035798","11.228","0.006","16.224","0.008","18.542","0.009","90","","90","","90","","3378","3","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H32 N2 O -","- C39 H32 N2 O -","- C156 H128 N8 O4 -","4","1","","Wang, Jing-Yi; Wu, Ping; Wu, Jia-Le; Mei, Guang-Jian; Shi, Feng","Chemodivergent Tandem Cyclizations of 2-Indolylmethanols with Tryptophols: C-N versus C-C Bond Formation.","The Journal of organic chemistry","2018","83","11","5931","5946","10.1021/acs.joc.8b00414","","","0.71073","MoKα","","0.1074","0.0762","","","0.2088","0.2341","","","","","","0.934","","","","has coordinates","227230","2020-10-21","18:00:00",""
"4035800","5.272","0.003","11.037","0.007","14.722","0.01","90","","90","","90","","856.6","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Khan, Hina P. A.; Das, Dipendu; Chakraborty, Tushar Kanti","Application of Cp<sub>2</sub>TiCl-Promoted Radical Cyclization: A Unified Strategy for the Syntheses of Iridoid Monoterpenes.","The Journal of organic chemistry","2018","83","11","6086","6092","10.1021/acs.joc.8b00752","","x-ray","0.71073","MoKα","","0.0383","0.0304","","","0.0682","0.0736","","","","","","1.09","","","","has coordinates","227233","2020-10-21","18:00:00",""
"4035802","9.9305","0.0001","12.059","0.0001","18.5891","0.0002","90","","90","","90","","2226.08","0.04","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Br N2 O4 -","- C20 H27 Br N2 O4 -","- C80 H108 Br4 N8 O16 -","4","1","","Liu, Kun; Jiang, Hua-Jie; Li, Na; Li, Hui; Wang, Jing; Zhang, Zheng-Zhu; Yu, Jie","Enantioselective Bromocyclization of Tryptamines Induced by Chiral Co(III)-Complex-Templated Brønsted Acids under an Air Atmosphere.","The Journal of organic chemistry","2018","83","12","6815","6823","10.1021/acs.joc.8b01196","","","1.54184","CuKα","","0.0306","0.0297","","","0.0785","0.0793","","","","","","1.043","","","","has coordinates","227235","2020-10-21","18:00:00",""
"4035812","21.201","0.004","26.732","0.006","26.969","0.005","90","","90","","90","","15285","5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40.8 H52.6 Br K N8 O1.5 -","- C40.8125 H51.25 Br K N8 O1.49625 -","- C653 H820 Br16 K16 N128 O23.94 -","16","4","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1395","0.0791","","","0.1939","0.2211","","","","","","1.023","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035813","11.232","0.002","12.217","0.002","33.308","0.008","90","","90","","90","","4570.6","1.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52.8 Cl4 N8 O16.4 -","- C40 H52.822 Cl4 N8 O16.411 -","- C160 H211.288 Cl16 N32 O65.644 -","4","1","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.1199","0.0746","","","0.1461","0.1668","","","","","","1.02","","","","has coordinates,has disorder","227239","2020-10-21","18:00:00",""
"4035815","16.703","0.003","18.692","0.004","18.76","0.004","90","","90","","90","","5857","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H80 N8 O8 S2 -","- C62 H80 N8 O8 S2 -","- C248 H320 N32 O32 S8 -","4","1","","Gerus, Aleksandra; Ślepokura, Katarzyna; Panek, Jarosław; Turek, Aleksandra; Lisowski, Jerzy","Chiral Cryptates Derived from a Hexaazamacrocycle.","The Journal of organic chemistry","2018","83","12","6748","6753","10.1021/acs.joc.8b00670","","","0.71073","MoKα","","0.0909","0.0605","","","0.1326","0.1417","","","","","","0.941","","","","has coordinates","227239","2020-10-21","18:00:00",""
"4035818","11.1647","0.0007","11.6691","0.0007","16.6362","0.0011","90","","90","","90","","2167.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H34 N2 O4 -","- C19 H34 N2 O4 -","- C76 H136 N8 O16 -","4","1","","Almond-Thynne, Joshua; Han, Jiaxu; White, Andrew J. P.; Polyzos, Anastasios; Parsons, Philip J.; Barrett, Anthony G. M.","Bidirectional Synthesis of Di- tert-butyl (2 S,6 S,8 S)- and (2 R,6 R,8 R)-1,7-Diazaspiro[5.5]undecane-2,8-dicarboxylate and Related Spirodiamines.","The Journal of organic chemistry","2018","83","12","6783","6787","10.1021/acs.joc.8b00794","","","1.54184","CuKα","","0.1112","0.0681","","","0.161","0.1985","","","","","","0.978","","","","has coordinates,has disorder","227242","2020-10-21","18:00:00",""
"4035819","7.4452","0.0007","9.2054","0.0009","26.702","0.003","90","","90","","90","","1830","0.3","104","2","104","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C84 H128 N8 O4 -","4","1","","Menger, Martina; Lentz, Dieter; Christmann, Mathias","Synthesis of (+)-Vitepyrroloid A and (+)-Vitepyrroloid B by Late-Stage Ni-Catalyzed C(sp2)-C(sp3) Cross-Electrophile Coupling.","The Journal of organic chemistry","2018","83","12","6793","6797","10.1021/acs.joc.8b00882","","","1.54178","CuKα","","0.0276","0.0276","","","0.0704","0.0704","","","","","","1.092","","","","has coordinates","227243","2020-10-21","18:00:00",""
"4035829","7.8995","0.0003","8.2826","0.0003","29.6905","0.0012","90","","90","","90","","1942.6","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O4 -","- C22 H30 O4 -","- C88 H120 O16 -","4","1","","Schiavo, Lucie; Lebedel, Ludivine; Massé, Paul; Choppin, Sabine; Hanquet, Gilles","Access to Wieland-Miescher Diketone-Derived Building Blocks by Stereoselective Construction of the C-9 Quaternary Carbon Center Using the Mukaiyama Aldol Reaction.","The Journal of organic chemistry","2018","83","12","6247","6258","10.1021/acs.joc.7b02862","","","0.71073","MoKα","","0.0522","0.0396","","","0.0887","0.0945","","","","","","1.024","","","","has coordinates","227252","2020-10-21","18:00:00",""
"4035854","9.896","0.002","12.3718","0.0016","26.501","0.003","90","","90","","90","","3244.6","0.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41.25 H37.5 N2.5 O5 Si1.25 -","- C39 H36 N2 O4 Si -","- C156 H144 N8 O16 Si4 -","4","1","","Yoshioka, Shohei; Aoyama, Hiroshi; Fujioka, Hiromichi; Arisawa, Mitsuhiro","Cascade Multiple Diels-Alder Reactions of Styrene Derivatives with Maleimide or Maleic Anhydride.","The Journal of organic chemistry","2018","83","12","6599","6606","10.1021/acs.joc.8b00890","","","0.71073","MoKα","","0.1202","0.0765","","","0.1892","0.2297","","","","","","0.887","","","","has coordinates","227266","2020-10-21","18:00:00",""
"4035867","3.8226","0.0005","7.1075","0.0012","27.806","0.004","90","","90","","90","","755.46","0.19","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 N4 O -","- C7 H8 N4 O -","- C28 H32 N16 O4 -","4","1","","Bookser, Brett C.; Weinhouse, Michael I.; Burns, Aaron C.; Valiere, Andrew N.; Valdez, Lino J.; Stanczak, Pawel; Na, Jim; Rheingold, Arnold L.; Moore, Curtis E.; Dyck, Brian","Solvent-Controlled, Site-Selective N-Alkylation Reactions of Azolo-Fused Ring Heterocycles at N1-, N2-, and N3-Positions, Including Pyrazolo[3,4- d]pyrimidines, Purines, [1,2,3]Triazolo[4,5]pyridines, and Related Deaza-Compounds.","The Journal of organic chemistry","2018","83","12","6334","6353","10.1021/acs.joc.8b00540","","x-ray","0.71073","MoKα","","0.043","0.0403","","","0.1067","0.1089","","","","","","1.074","","","","has coordinates","227279","2020-10-21","18:00:00",""
"4035879","5.7871","0.0002","13.5493","0.0006","16.8357","0.0006","90","","90","","90","","1320.11","0.09","200","1","200","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br F3 N O3 -","- C11 H11 Br F3 N O3 -","- C44 H44 Br4 F12 N4 O12 -","4","1","","Martínez-Pardo, Pablo; Blay, Gonzalo; Vila, Carlos; Sanz-Marco, Amparo; Muñoz, M Carmen; Pedro, José R","Enantioselective Synthesis of 5-Trifluoromethyl-2-oxazolines under Dual Silver/Organocatalysis.","The Journal of organic chemistry","2019","84","1","314","325","10.1021/acs.joc.8b02808","","","0.71073","MoKα","","0.0829","0.0432","","","0.0916","0.1144","","","","","","0.896","","","","has coordinates","227287","2020-10-21","18:00:00",""
"4035881","6.3688","0.0001","12.2935","0.0002","21.2458","0.0004","90","","90","","90","","1663.44","0.05","170","2","169.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Ji, Kai-Long; Fan, Yao-Yue; Ge, Zhan-Peng; Sheng, Li; Xu, You-Kai; Gan, Li-She; Li, Jing-Ya; Yue, Jian-Min","Maximumins A-D, Rearranged Labdane-Type Diterpenoids with Four Different Carbon Skeletons from Amomum maximum.","The Journal of organic chemistry","2019","84","1","282","288","10.1021/acs.joc.8b02665","","","1.34139","GaKα","","0.046","0.0423","","","0.1025","0.1062","","","","","","1.095","","","","has coordinates","227289","2020-10-21","18:00:00",""
"4035896","7.0221","0.001","19.019","0.003","19.187","0.003","90","","90","","90","","2562.5","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","2","","Chaudhary, Priyanka; Gupta, Surabhi; Muniyappan, Nalluchamy; Sabiah, Shahulhameed; Kandasamy, Jeyakumar","Regioselective Nitration of N-Alkyl Anilines using tert-Butyl Nitrite under Mild Condition.","The Journal of organic chemistry","2019","84","1","104","119","10.1021/acs.joc.8b02377","","","0.71073","MoKα","","0.1453","0.0629","","","0.1278","0.1658","","","","","","1.031","","","","has coordinates","227297","2020-10-21","18:00:00",""
"4035911","7.00151","0.00015","9.9401","0.0003","29.1848","0.0008","90","","90","","90","","2031.14","0.09","293.19","0.1","293.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N3 O3 -","- C23 H22 F N3 O3 -","- C92 H88 F4 N12 O12 -","4","1","","Liang, Hui; Xu, Guo-Qiang; Feng, Zhi-Tao; Wang, Zhu-Yin; Xu, Peng-Fei","Dual Catalytic Switchable Divergent Synthesis: An Asymmetric Visible-Light Photocatalytic Approach to Fluorine-Containing γ-Keto Acid Frameworks.","The Journal of organic chemistry","2019","84","1","60","72","10.1021/acs.joc.8b02316","","x-ray","1.54184","CuKα","","0.0395","0.0354","","","0.0873","0.0911","","","","","","1.044","","","","has coordinates","227311","2020-10-21","18:00:00",""
"4035915","6.4521","0.0004","10.1091","0.0006","21.6537","0.0012","90","","90","","90","","1412.36","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O3 S -","- C17 H16 O3 S -","- C68 H64 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Tsai, Yu-Lin","Intramolecular Benzannulation of 3-Sulfonyl-2-benzylchromen-4-ones: Synthesis of Sulfonyl Dibenzooxabicyclo[3.3.1]nonanes.","The Journal of organic chemistry","2019","84","1","443","449","10.1021/acs.joc.8b02726","","","0.71073","MoKα","","0.0311","0.0289","","","0.0701","0.0714","","","","","","1.058","","","","has coordinates","227315","2020-10-21","18:00:00",""
"4035936","5.81","0.003","10.115","0.006","25.579","0.014","90","","90","","90","","1503.2","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Br F O5 -","- C13 H19 Br F O5 -","- C52 H76 Br4 F4 O20 -","4","1","","Voight, Eric A.; Brown, Brian S.; Greszler, Stephen N.; Halvorsen, Geoff T.; Zhao, Gang; Kruger, Albert W.; Hartung, John; Lukin, Kirill A.; Martinez, Steven R.; Moschetta, Eric G.; Tudesco, Michael T.; Ide, Nathan D.","Synthesis of ABBV-168, a 2'-Bromouridine for the Treatment of Hepatitis C.","The Journal of organic chemistry","2019","84","8","4723","4734","10.1021/acs.joc.8b02341","","","0.71073","MoKα","","0.119","0.0475","","","0.0585","0.0694","","","","","","0.783","","","","has coordinates","227329","2020-10-21","18:00:00",""
"4035938","8.846","0.0006","10.5118","0.0007","20.6078","0.0014","90","","90","","90","","1916.3","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyl-3-((triisopropylsilyl)ethynyl)dihydro-furan-2(3H)-one","","- C17 H30 O4 Si -","- C17 H30 O4 Si -","- C68 H120 O16 Si4 -","4","1","","Zhong, Yong-Li; Cleator, Ed; Liu, Zhijian; Yin, Jianguo; Morris, William J.; Alam, Mahbub; Bishop, Brian; Dumas, Aaron M.; Edwards, John; Goodyear, Adrian; Mullens, Peter; Song, Zhiguo Jake; Shevlin, Michael; Thaisrivongs, David A.; Li, Hongming; Sherer, Edward C.; Cohen, Ryan D.; Yin, Jingjun; Tan, Lushi; Yasuda, Nobuyoshi; Limanto, John; Davies, Antony; Campos, Kevin R.","Highly Diastereoselective Synthesis of a HCV NS5B Nucleoside Polymerase Inhibitor.","The Journal of organic chemistry","2019","84","8","4780","4795","10.1021/acs.joc.8b02500","","x-ray","1.54184","CuKα","","0.0212","0.021","","","0.0554","0.0555","","","","","","1.042","","","","has coordinates","227331","2020-10-21","18:00:00",""
"4035945","9.1912","0.0003","11.3929","0.0005","13.7464","0.0006","90","","90","","90","","1439.45","0.1","100","10","100","10","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","","Reutskaya, Elena; Osipyan, Angelina; Sapegin, Alexander; Novikov, Alexander S.; Krasavin, Mikhail","Rethinking Hydrolytic Imidazoline Ring Expansion: A Common Approach to the Preparation of Medium-Sized Rings via Side-Chain Insertion into [1.4]Oxa- and [1.4]Thiazepinone Scaffolds.","The Journal of organic chemistry","2019","84","4","1693","1705","10.1021/acs.joc.8b02805","","x-ray","1.54184","CuKα","","0.0422","0.0412","","","0.1078","0.1089","","","","","","1.039","","","","has coordinates","227338","2020-10-21","18:00:00",""
"4035955","9.0297","0.0003","10.1542","0.0003","19.3621","0.0006","90","","90","","90","","1775.3","0.1","150","","150","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Si -","- C24 H18 Si -","- C96 H72 Si4 -","4","1","","Mocanu, Anabella; Szűcs, Rózsa; Caytan, Elsa; Roisnel, Thierry; Dorcet, Vincent; Bouit, Pierre-Antoine; Nyulászi, László; Hissler, Muriel","Synthesis, Optical, and Redox Properties of Regioisomeric Benzoheterocycles-Fused Pyrene.","The Journal of organic chemistry","2019","84","2","957","962","10.1021/acs.joc.8b02884","","x-ray","0.71073","MoKα","","0.0325","0.0303","","","0.0812","0.083","","","","","","1.047","","","","has coordinates","227348","2020-10-21","18:00:00",""
"4035998","9.306","0.002","9.447","0.002","17.344","0.004","90","","90","","90","","1524.8","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C68 H72 N8 O12 -","4","1","","Cao, Jun; Yang, Fan; Sun, Jing; Huang, Ying; Yan, Chao-Guo","Construction of Unique Eight- or Nine-Membered Polyheterocyclic Systems via Multicomponent Reaction of l-Proline, Alkyl Propiolate, and Isatin.","The Journal of organic chemistry","2019","84","2","622","635","10.1021/acs.joc.8b02457","","","0.71073","MoKα","","0.077","0.0473","","","0.096","0.1066","","","","","","1.039","","","","has coordinates","227372","2020-10-21","18:00:00",""
"4036009","6.4222","0.0004","15.4984","0.001","22.8","0.0015","90","","90","","90","","2269.4","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O4 -","- C29 H26 O4 -","- C116 H104 O16 -","4","1","","Wong, Wai-Shing; Tse, Ho-Wing; Cheung, Enoch; Kuck, Dietmar; Chow, Hak-Fun","Enantiopure Aromatic Saddles Bearing the Fenestrindane Core.","The Journal of organic chemistry","2019","84","2","869","878","10.1021/acs.joc.8b02719","","","1.54178","CuKα","","0.0347","0.0332","","","0.0828","0.0841","","","","","","1.067","","","","has coordinates","227383","2020-10-21","18:00:00",""
"4036010","10.6835","0.0005","12.3208","0.0005","15.947","0.0007","90","","90","","90","","2099.09","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl N2 O4 -","- C23 H21 Cl N2 O4 -","- C92 H84 Cl4 N8 O16 -","4","1","","Han, Pan; Mao, Zhuo-Ya; Si, Chang-Mei; Zhou, Zhu; Wei, Bang-Guo; Lin, Guo-Qiang","Stereoselective Synthesis of Pyrido- and Pyrrolo[1,2- c][1,3]oxazin-1-ones via a Nucleophilic Addition-Cyclization Process of N, O-Acetal with Ynamides.","The Journal of organic chemistry","2019","84","2","914","923","10.1021/acs.joc.8b02795","","","0.71073","MoKα","","0.0571","0.0418","","","0.0997","0.1097","","","","","","1.028","","","","has coordinates","227384","2020-10-21","18:00:00",""
"4036015","6.9595","0.0006","10.7062","0.0009","11.3837","0.001","90","","90","","90","","848.2","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","","Lazzara, Nicholas C.; Rosano, Robert J.; Vagadia, Purav P.; Giovine, Matthew T.; Bezpalko, Mark W.; Piro, Nicholas A.; Kassel, Wm Scott; Boyko, Walter J.; Zubris, Deanna L.; Schrader, Kevin K.; Wedge, David E.; Duke, Stephen O.; Giuliano, Robert M.","Synthesis and Biological Evaluation of 6-[(1 R)-1-Hydroxyethyl]-2,4a( R),6( S),8a( R)-tetrahydropyrano-[3,2- b]-pyran-2-one and Structural Analogues of the Putative Structure of Diplopyrone.","The Journal of organic chemistry","2019","84","2","666","678","10.1021/acs.joc.8b02490","","","0.71073","MoKα","","0.0301","0.0289","","","0.0795","0.0805","","","","","","1.108","","","","has coordinates","227389","2020-10-21","18:00:00",""
"4036020","9.6845","0.0002","11.1866","0.0002","20.2699","0.0005","90","","90","","90","","2195.97","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 N O6 -","- C9 H17 N O6 -","- C72 H136 N8 O48 -","8","2","","Zhang, Ji; Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.","Regioselective Manipulation of GlcNAc Provides Allosamine, Lividosamine, and Related Compounds.","The Journal of organic chemistry","2019","84","2","516","525","10.1021/acs.joc.8b01949","","","1.54178","CuKα","","0.0241","0.0234","","","0.06","0.0604","","","","","","1.089","","","","has coordinates","227394","2020-10-21","18:00:00",""
"4036067","7.8514","0.0004","11.5391","0.0006","27.4981","0.0012","90","","90","","90","","2491.3","0.2","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 I N3 O7 S -","- C23 H24 I N3 O7 S -","- C92 H96 I4 N12 O28 S4 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.0555","0.0431","","","0.1035","0.1122","","","","","","1.059","","","","has coordinates","227918","2020-10-21","18:00:00",""
"4036069","9.4104","0.0006","13.139","0.0008","14.3976","0.0009","90","","90","","90","","1780.17","0.19","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 I N2 O5 -","- C18 H17 I N2 O5 -","- C72 H68 I4 N8 O20 -","4","1","","Atmuri, N. D. Prasad; Lubell, William D.","Stereo- and regiochemical transannular cyclization of a common hexahydro-1H-azonine to afford three different indolizidinone dipeptide mimetics.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01861","","x-ray","1.34139","GaKα","","0.0333","0.0319","","","0.0813","0.0827","","","","","","1.069","","","","has coordinates","227920","2020-10-21","18:00:00",""
"4036092","8.0934","0.0001","10.189","0.0001","27.8072","0.0002","90","","90","","90","","2293.08","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O5 S -","- C25 H30 N2 O5 S -","- C100 H120 N8 O20 S4 -","4","1","","Ao, Chaoqun; Yang, Xiaohan; Jia, Shikun; Xu, Xinfang; Yuan, Yanqiu; Zhang, Dan; Hu, Wenhao","Zinc-Catalyzed Alkyne-Carbonyl Metathesis of Ynamides with Isatins: Stereoselective Access to Fully Substituted Alkenes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02350","","x-ray","1.54184","CuKα","","0.0272","0.0267","","","0.0715","0.0718","","","","","","1.061","","","","has coordinates","231095","2020-10-21","18:00:00",""
"4036098","7.7239","0.0002","21.0831","0.0007","23.9339","0.0009","90","","90","","90","","3897.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C176 H200 N8 O32 -","8","2","","Bera, Tishyasoumya; Singh, Bandana; Hamlin, Trevor A.; Sahoo, Subash C.; Saha, Jaideep","One-Step Assembly of Functionalized Morpholinones and 1,4-Oxazepane-3-ones via [3+3]- and [3+4]-Annulation of Aza-oxyallyl Cation and Amphoteric Compounds.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02269","","x-ray","0.71073","MoKα","","0.1579","0.0807","","","0.1928","0.2399","","","","","","0.956","","","","has coordinates","231180","2020-10-21","18:00:00",""
"4036108","8.1338","0.0005","10.2777","0.0006","21.8101","0.0009","90","","90","","90","","1823.25","0.17","294.29","0.1","294.29","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl N3 O3 -","- C19 H16 Cl N3 O3 -","- C76 H64 Cl4 N12 O12 -","4","1","","Yang, Dongxu; Li, Dan; Wang, Linqing; Zhao, Depeng; Wang, Rui","Development and Application of α-Heteroatom Ketones in Asymmetric Michael Reaction with β-trans-Nitroalkenes.","The Journal of organic chemistry","2015","80","9","4336","4348","10.1021/acs.joc.5b00013","","","0.71073","MoKα","","0.1142","0.0603","","","0.1047","0.1366","","","","","","1.086","","","","has coordinates","234254","2020-10-21","18:00:00",""
"4036109","11.2837","0.0006","18.9703","0.0009","26.4631","0.0013","90","","90","","90","","5664.6","0.5","180","1","180","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H78 Br2 N10 O8 -","- C51 H77 Br2 N10 O8 -","- C204 H308 Br8 N40 O32 -","4","1","","Haberhauer, Gebhard; Burkhart, Christoph; Woitschetzki, Sascha; Wölper, Christoph","Light and chemically driven molecular machines showing a unidirectional four-state switching cycle.","The Journal of organic chemistry","2015","80","3","1887","1895","10.1021/acs.joc.5b00026","","","0.71073","MoKα","","0.0625","0.0401","","","0.0798","0.0866","","","","","","1.024","","","","has coordinates","234255","2020-10-21","18:00:00",""
"4036135","9.69422","0.00018","14.6953","0.0003","23.5832","0.0005","90","","90","","90","","3359.65","0.12","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H36 N2 O4 -","- C43 H36 N2 O4 -","- C172 H144 N8 O16 -","4","1","","Noji, Masahiro; Kobayashi, Toshihiro; Uechi, Yuria; Kikuchi, Asami; Kondo, Hisako; Sugiyama, Shigeo; Ishii, Keitaro","Asymmetric epoxidation of allylic alcohols catalyzed by vanadium-binaphthylbishydroxamic Acid complex.","The Journal of organic chemistry","2015","80","6","3203","3210","10.1021/acs.joc.5b00185","","","1.54187","CuKα","","","0.0423","","","","0.0928","","","","","","1.081","","","","has coordinates","234290","2020-10-21","18:00:00",""
"4036137","9.856","0.004","15.543","0.007","17.398","0.007","90","","90","","90","","2665.2","1.9","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Br Cl2 N2 O3 -","- C30 H27 Br Cl2 N2 O3 -","- C120 H108 Br4 Cl8 N8 O12 -","4","1","","Wang, Yang; Tu, Man-Su; Yin, Lei; Sun, Meng; Shi, Feng","Brønsted acid catalyzed asymmetric diels-alder reactions: stereoselective construction of spiro[tetrahydrocarbazole-3,3'-oxindole] framework.","The Journal of organic chemistry","2015","80","6","3223","3232","10.1021/acs.joc.5b00198","","","0.71073","MoKα","","0.091","0.0798","","","0.2091","0.2175","","","","","","1.054","","","","has coordinates","234293","2020-10-21","18:00:00",""
"4036144","8.46912","0.00008","9.73854","0.00011","22.7407","0.0002","90","","90","","90","","1875.58","0.03","130","0.1","130","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 I N O4 -","- C20 H18 I N O4 -","- C80 H72 I4 N4 O16 -","4","1","","Priebbenow, Daniel L.; Gable, Robert W.; Baell, Jonathan","Regio- and stereoselective iodoacyloxylations of alkynes.","The Journal of organic chemistry","2015","80","9","4412","4418","10.1021/acs.joc.5b00250","","x-ray","1.54184","CuKα","","0.0185","0.0178","","","0.0452","0.0457","","","","","","1.085","","","","has coordinates","234301","2020-10-21","18:00:00",""
"4036148","17.4936","0.0003","22.4947","0.0003","23.0451","0.0003","90","","90","","90","","9068.6","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C86 H84 N8 O16 Rh2 -","- C86 H84 N8 O16 Rh2 -","- C344 H336 N32 O64 Rh8 -","4","1","","Lebel, Hélène; Piras, Henri","Stereoselective synthesis of chiral sulfilimines from N-mesyloxycarbamates: metal-nitrenes versus metal-nitrenoids species.","The Journal of organic chemistry","2015","80","7","3572","3585","10.1021/acs.joc.5b00256","","x-ray","1.54178","CuKα","","0.0354","0.0327","","","0.0896","0.0911","","","","","","1.047","","","","has coordinates,has disorder","234307","2020-10-21","18:00:00",""
"4036158","6.4047","0.0006","11.833","0.005","20.4531","0.0019","90","","90","","90","","1550.1","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Sandoval-Lira, Jacinto; Fuentes, Lilia; Quintero, Leticia; Höpfl, Herbert; Hernández-Pérez, Julio M; Terán, Joel L; Sartillo-Piscil, Fernando","The Stabilizing Role of the Intramolecular C-H···O Hydrogen Bond in Cyclic Amides Derived From α-Methylbenzylamine.","The Journal of organic chemistry","2015","80","9","4481","4490","10.1021/acs.joc.5b00286","","","0.71073","MoKα","","0.0596","0.0435","","","0.0862","0.0971","","","","","","1.066","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036169","19.114","0.0018","20.524","0.002","5.798","0.0006","90","","90","","90","","2274.5","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O6 -","- C26 H30 O6 -","- C104 H120 O24 -","4","1","","Dethe, Dattatraya H.; Dherange, Balu D.","Enantioselective total syntheses of (+)-hostmanin A, (-)-linderol A, (+)-methyllinderatin and structural reassignment of adunctin E.","The Journal of organic chemistry","2015","80","9","4526","4531","10.1021/acs.joc.5b00331","","","0.71073","MoKα","","0.1151","0.078","","","0.2162","0.2421","","","","","","1.012","","","","has coordinates","234340","2020-10-21","18:00:00",""
"4036192","8.7785","0.0009","13.8258","0.0013","15.4586","0.0017","90","","90","","90","","1876.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G","Total synthesis of the tetracyclic indole alkaloid ht-13-B.","The Journal of organic chemistry","2015","80","9","4783","4790","10.1021/acs.joc.5b00433","","","0.71073","MoK/a","","0.1307","0.062","","","0.1481","0.1789","","","","","","1.007","","","","has coordinates","234368","2020-10-21","18:00:00",""
"4036193","7.213","0.0003","12.9671","0.0005","14.1141","0.0006","90","","90","","90","","1320.12","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","1","","Zhang, Yilin; Hubbard, Jeremiah W.; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Söderberg, Björn C G","Total synthesis of the tetracyclic indole alkaloid ht-13-B.","The Journal of organic chemistry","2015","80","9","4783","4790","10.1021/acs.joc.5b00433","","","0.71073","MoKα","","0.0378","0.0337","","","0.0894","0.0931","","","","","","1.048","","","","has coordinates","234369","2020-10-21","18:00:00",""
"4036197","9.57757","0.00016","11.68339","0.00018","12.569","0.0002","90","","90","","90","","1406.45","0.04","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Struble, Mark D.; Holl, Maxwell Gargiulo; Coombs, Gavin; Siegler, Maxime A.; Lectka, Thomas","Synthesis of a Tight Intramolecular OH···Olefin Interaction, Probed by IR, (1)H NMR, and Quantum Chemistry.","The Journal of organic chemistry","2015","80","9","4803","4807","10.1021/acs.joc.5b00470","","","1.54178","CuKα","","0.0282","0.0276","","","0.0697","0.0702","","","","","","1.074","","","","has coordinates","234376","2020-10-21","18:00:00",""
"4036205","10.51018","0.00011","11.46665","0.00011","12.93223","0.00012","90","","90","","90","","1558.55","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 O3 P -","- C15 H27 O3 P -","- C60 H108 O12 P4 -","4","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","1.54184","CuKα","","0.0314","0.0309","","","0.0858","0.0864","","","","","","1.052","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036207","6.6376","0.0002","9.3332","0.0003","29.571","0.001","90","","90","","90","","1831.92","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 O4 P -","- C19 H25 O4 P -","- C76 H100 O16 P4 -","4","1","","Gatineau, David; Nguyen, Duc Hanh; Hérault, Damien; Vanthuyne, Nicolas; Leclaire, Julien; Giordano, Laurent; Buono, Gérard","H-adamantylphosphinates as universal precursors of P-stereogenic compounds.","The Journal of organic chemistry","2015","80","8","4132","4141","10.1021/acs.joc.5b00548","","x-ray","0.71073","MoKα","","0.1735","0.0531","","","0.1055","0.1326","","","","","","0.886","","","","has coordinates,has disorder","234390","2020-10-21","18:00:00",""
"4036209","5.837","0.0012","14.149","0.003","17.65","0.004","90","","90","","90","","1457.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Yang, Chao; Zhang, Xiang; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","PhI(OCOCF3)2-Mediated Cyclization of o-(1-Alkynyl)benzamides: Metal-Free Synthesis of 3-Hydroxy-2,3-dihydroisoquinoline-1,4-dione.","The Journal of organic chemistry","2015","80","10","5320","5328","10.1021/acs.joc.5b00576","","","0.71073","MoKα","","0.0539","0.0423","","","0.089","0.0946","","","","","","1.062","","","","has coordinates","234393","2020-10-21","18:00:00",""
"4036210","5.183","0.0001","12.7946","0.0002","26.0924","0.0003","90","","90","","90","","1730.3","0.05","150","","150","","","","","","","","Research School of Chemistry","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 -","- C19 H24 O5 -","- C76 H96 O20 -","4","1","","Zhang, Yiwen; Dlugosch, Michael; Jübermann, Martin; Banwell, Martin G.; Ward, Jas S.","Total syntheses of the resorcylic acid lactone neocosmosin A and its enantiomer.","The Journal of organic chemistry","2015","80","9","4828","4833","10.1021/acs.joc.5b00590","","","1.54184","CuKα","","0.0351","0.0332","","0.0867","0.0852","0.0867","","","","","","1.004","","","","has coordinates","234395","2020-10-21","18:00:00",""
"4036217","8.169","0.0004","8.3603","0.0004","18.233","0.0009","90","","90","","90","","1245.23","0.11","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Vaccarello, David N.; Moschitto, Matthew J.; Lewis, Chad A.","Regiodivergent addition of phenols to allylic oxides.","The Journal of organic chemistry","2015","80","10","5252","5259","10.1021/acs.joc.5b00671","","","0.71073","MoKα","","0.04","0.0323","","","0.081","0.0866","","","","","","1.032","","","","has coordinates","234406","2020-10-21","18:00:00",""
"4036248","5.8884","0.0007","14.8186","0.0016","19.816","0.002","90","","90","","90","","1729.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22.25 O7.13 -","- C16 H22.26 O7.13 -","- C64 H89.04 O28.52 -","4","1","","Häcker, Christine; Plietker, Bernd","General Stereodivergent Enantioselective Total Synthetic Approach toward Macrosphelides A-G and M.","The Journal of organic chemistry","2015","80","16","8055","8064","10.1021/acs.joc.5b01171","","","1.54178","CuKα","","0.0414","0.0307","","","0.0644","0.0675","","","","","","1.019","","","","has coordinates","234448","2020-10-21","18:00:00",""
"4036255","8.064","0.001","8.364","0.001","18.272","0.003","90","","90","","90","","1232.4","0.3","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 I O2 -","- C12 H17 I O2 -","- C48 H68 I4 O8 -","4","1","","Mostinski, Yelena; Valerio, Viviana; Lankri, David; Tsvelikhovsky, Dmitry","Synthesis of Tricyclic Spiranoid Lactones via I2/Sm(II)- and I2/Pd(0)-Mediated Cyclizations of a Common Cycloalkylmethylene Precursor.","The Journal of organic chemistry","2015","80","21","10464","10473","10.1021/acs.joc.5b01278","","","0.71073","MoKα","","0.0302","0.0299","","","0.0653","0.0654","","","","","","1.261","","","","has coordinates","234462","2020-10-21","18:00:00",""
"4036259","16.1326","0.0013","19.4409","0.0015","26.943","0.002","90","","90","","90","","8450.2","1.1","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46.5 H37 Cl2 N3 Ni O4.5 -","- C46.5 H37 Cl2 N3 Ni O4.5 -","- C372 H296 Cl16 N24 Ni8 O36 -","8","2","","Wang, Shuni; Zhou, Shengbin; Wang, Jiang; Nian, Yong; Kawashima, Aki; Moriwaki, Hiroki; Aceña, José L; Soloshonok, Vadim A.; Liu, Hong","Chemical Dynamic Thermodynamic Resolution and S/R Interconversion of Unprotected Unnatural Tailor-made α-Amino Acids.","The Journal of organic chemistry","2015","80","20","9817","9830","10.1021/acs.joc.5b01292","","","0.71073","MoKα","","0.1511","0.0658","","","0.132","0.1524","","","","","","0.88","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4036276","5.8738","0.0007","14.111","0.0017","21.502","0.003","90","","90","","90","","1782.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","","Kang, YoungKu; Chen, Weijie; Breugst, Martin; Seidel, Daniel","Asymmetric Redox-Annulation of Cyclic Amines.","The Journal of organic chemistry","2015","80","19","9628","9640","10.1021/acs.joc.5b01384","","","0.71073","MoKα","","0.042","0.0352","","","0.0798","0.0828","","","","","","1.001","","","","has coordinates","234495","2020-10-21","18:00:00",""
"4036277","7.9265","0.0014","10.5847","0.0019","23.895","0.004","90","","90","","90","","2004.8","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br N2 O3 -","- C21 H25 Br N2 O3 -","- C84 H100 Br4 N8 O12 -","4","1","","Kang, YoungKu; Chen, Weijie; Breugst, Martin; Seidel, Daniel","Asymmetric Redox-Annulation of Cyclic Amines.","The Journal of organic chemistry","2015","80","19","9628","9640","10.1021/acs.joc.5b01384","","","0.71073","MoKα","","0.0383","0.0331","","","0.0773","0.0794","","","","","","1.004","","","","has coordinates","234497","2020-10-21","18:00:00",""
"4036278","6.7867","0.0004","7.9287","0.0005","33.718","0.002","90","","90","","90","","1814.36","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","","Kang, YoungKu; Chen, Weijie; Breugst, Martin; Seidel, Daniel","Asymmetric Redox-Annulation of Cyclic Amines.","The Journal of organic chemistry","2015","80","19","9628","9640","10.1021/acs.joc.5b01384","","","0.71073","MoKα","","0.0446","0.0364","","","0.0826","0.086","","","","","","1.01","","","","has coordinates","234498","2020-10-21","18:00:00",""
"4036283","9.5387","0.0005","12.5979","0.0006","19.8057","0.0011","90","","90","","90","","2380","0.2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N3 O3 -","- C29 H24 Cl N3 O3 -","- C116 H96 Cl4 N12 O12 -","4","1","","Haddad, Saoussen; Boudriga, Sarra; Porzio, François; Soldera, Armand; Askri, Moheddine; Knorr, Michael; Rousselin, Yoann; Kubicki, Marek M.; Golz, Christopher; Strohmann, Carsten","Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction.","The Journal of organic chemistry","2015","80","18","9064","9075","10.1021/acs.joc.5b01399","","","0.71073","MoKα","","0.0526","0.0391","","","0.0768","0.0828","","","","","","1.033","","","","has coordinates","234505","2020-10-21","18:00:00",""
"4036289","13.0236","0.0005","20.7843","0.0016","22.7086","0.0018","90","","90","","90","","6146.9","0.7","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 N2 O5 S2 -","- C34 H35 N2 O5 S2 -","- C272 H280 N16 O40 S16 -","8","2","","Conde, Egoitz; Rivilla, Iván; Larumbe, Amaia; Cossío, Fernando P","Enantiodivergent Synthesis of Bis-Spiropyrrolidines via Sequential Interrupted and Completed (3 + 2) Cycloadditions.","The Journal of organic chemistry","2015","80","23","11755","11767","10.1021/acs.joc.5b01418","","x-ray","1.54184","CuKα","","0.1652","0.0899","","","0.1732","0.2159","","","","","","0.976","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036293","8.7849","0.0007","11.44","0.0009","17.157","0.0014","90","","90","","90","","1724.3","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Br N2 O3 S -","- C15 H23 Br N2 O3 S -","- C60 H92 Br4 N8 O12 S4 -","4","1","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0247","0.0246","","","0.0682","0.0684","","","","","","1.053","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036294","9.6663","0.0019","13.656","0.003","14.923","0.003","90","","90","","90","","1969.9","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Br N2 O3 S -","- C18 H27 Br N2 O3 S -","- C72 H108 Br4 N8 O12 S4 -","4","1","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0213","0.021","","","0.0516","0.0518","","","","","","1.044","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036296","12.9062","0.001","13.2212","0.0011","22.5828","0.0018","90","","90","","90","","3853.4","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15.5 H24 Br Cl N2 O3 S -","- C15.5 H24 Br Cl N2 O3 S -","- C124 H192 Br8 Cl8 N16 O24 S8 -","8","2","","Loh, Joanna K.; Asad, Naeem; Samarakoon, Thiwanka B.; Hanson, Paul R.","Modular, One-Pot, Sequential Aziridine Ring Opening-S(N)Ar Strategy to 7-, 10-, and 11-Membered Benzo-Fused Sultams.","The Journal of organic chemistry","2015","80","20","9926","9941","10.1021/acs.joc.5b01429","","","1.54178","CuKα","","0.0252","0.0243","","","0.0615","0.0621","","","","","","1.045","","","","has coordinates","234520","2020-10-21","18:00:00",""
"4036298","12.5348","0.0004","14.0822","0.0005","18.0788","0.0006","90","","90","","90","","3191.23","0.19","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N O8 P S -","- C12 H16 N O8 P S -","- C96 H128 N8 O64 P8 S8 -","8","2","","Seo, Yeon Ji; Kim, Jin-ah; Lee, Hyeon-Kyu","Stereoselective Synthesis of 4-Substituted Cyclic Sulfamidate-5-Phosphonates by Using Rh-Catalyzed, Asymmetric Transfer Hydrogenation with Accompanying Dynamic Kinetic Resolution.","The Journal of organic chemistry","2015","80","17","8887","8902","10.1021/acs.joc.5b01434","","","0.71073","MoKα","","0.0249","0.0241","","","0.0652","0.0658","","","","","","1.061","","","","has coordinates","234522","2020-10-21","18:00:00",""
"4036299","8.3695","0.0002","27.3023","0.0008","27.53","0.0008","90","","90","","90","","6290.8","0.3","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N O8 P S -","- C17 H26 N O8 P S -","- C204 H312 N12 O96 P12 S12 -","12","3","","Seo, Yeon Ji; Kim, Jin-ah; Lee, Hyeon-Kyu","Stereoselective Synthesis of 4-Substituted Cyclic Sulfamidate-5-Phosphonates by Using Rh-Catalyzed, Asymmetric Transfer Hydrogenation with Accompanying Dynamic Kinetic Resolution.","The Journal of organic chemistry","2015","80","17","8887","8902","10.1021/acs.joc.5b01434","","","0.71073","MoKα","","0.0961","0.0586","","","0.119","0.1339","","","","","","1.04","","","","has coordinates","234524","2020-10-21","18:00:00",""
"4036306","7.2202","0.0003","10.5445","0.0005","25.028","0.0013","90","","90","","90","","1905.47","0.16","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-Hydroxy-3-(1-phenylethyl)urea","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C72 H96 N16 O16 -","8","2","","Chaiyaveij, Duangduan; Batsanov, Andrei S.; Fox, Mark A.; Marder, Todd B.; Whiting, Andrew","An Experimental and Computational Approach to Understanding the Reactions of Acyl Nitroso Compounds in [4 + 2] Cycloadditions.","The Journal of organic chemistry","2015","80","19","9518","9534","10.1021/acs.joc.5b01470","","x-ray","0.71073","MoKα","K-L~3~","0.0506","0.0397","","","0.0971","0.1035","","","","","","1.053","","","","has coordinates","234529","2020-10-21","18:00:00",""
"4036318","10.7793","0.001","21.212","0.002","38.195","0.004","90","","90","","90","","8733.3","1.5","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Boc-(L-Leu-L-Leu-Aib-D-Leu-D-Leu-Aib)2-OMe","","- C73 H135 N13 O16 -","- C73 H135 N13 O16 -","- C292 H540 N52 O64 -","4","1","","Demizu, Yosuke; Yamashita, Hiroko; Doi, Mitsunobu; Misawa, Takashi; Oba, Makoto; Tanaka, Masakazu; Kurihara, Masaaki","Topological Study of the Structures of Heterochiral Peptides Containing Equal Amounts of l-Leu and d-Leu.","The Journal of organic chemistry","2015","80","17","8597","8603","10.1021/acs.joc.5b01541","","","0.71073","MoKα","","0.0995","0.0983","","","0.1633","0.1636","","","","","","2.681","","","","has coordinates","234538","2020-10-21","18:00:00",""
"4036325","9.7402","0.0004","11.0764","0.0005","23.9164","0.0011","90","","90","","90","","2580.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Cl N3 -","- C32 H28 Cl N3 -","- C128 H112 Cl4 N12 -","4","1","","Castillo, Juan-Carlos; Quiroga, Jairo; Abonia, Rodrigo; Rodriguez, Jean; Coquerel, Yoann","Pseudo-Multicomponent Reactions of Arynes with N-Aryl Imines.","The Journal of organic chemistry","2015","80","19","9767","9773","10.1021/acs.joc.5b01564","","x-ray","1.54184","CuKα","","0.0775","0.0652","","","0.1989","0.2081","","","","","","1.061","","","","has coordinates","288248","2023-12-12","12:55:27",""
"4036330","5.5042","0.0002","15.9784","0.0008","25.4579","0.0012","90","","90","","90","","2238.98","0.17","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 F N O3 S -","- C23 H30 F N O3 S -","- C92 H120 F4 N4 O12 S4 -","4","1","","Shang, Huaqi; Li, Ya; Li, Xiang; Ren, Xinfeng","Diastereoselective Addition of Metal α-Fluoroenolates of Carboxylate Esters to N-tert-Butylsulfinyl Imines: Synthesis of α-Fluoro-β-amino Acids.","The Journal of organic chemistry","2015","80","17","8739","8747","10.1021/acs.joc.5b01574","","","1.54178","CuKα","","0.1004","0.061","","","0.1209","0.1431","","","","","","0.984","","","","has coordinates","234559","2020-10-21","18:00:00",""
"4036331","9.2139","0.0008","10.6559","0.0009","19.9578","0.0016","90","","90","","90","","1959.5","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl F N O3 S -","- C17 H25 Cl F N O3 S -","- C68 H100 Cl4 F4 N4 O12 S4 -","4","1","","Shang, Huaqi; Li, Ya; Li, Xiang; Ren, Xinfeng","Diastereoselective Addition of Metal α-Fluoroenolates of Carboxylate Esters to N-tert-Butylsulfinyl Imines: Synthesis of α-Fluoro-β-amino Acids.","The Journal of organic chemistry","2015","80","17","8739","8747","10.1021/acs.joc.5b01574","","","0.71073","MoKα","","0.092","0.0517","","","0.0888","0.1008","","","","","","0.967","","","","has coordinates","234561","2020-10-21","18:00:00",""
"4036339","9.9358","0.0002","14.1582","0.0003","15.964","0.0003","90","","90","","90","","2245.7","0.08","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 -","- C28 H27 N O2 -","- C112 H108 N4 O8 -","4","1","","Zhao, Jia-Jia; Zhang, Yu-Chen; Xu, Meng-Meng; Tang, Man; Shi, Feng","Catalytic Chemo-, E/Z-, and Enantioselective Cyclizations of o-Hydroxybenzyl Alcohols with Dimedone-Derived Enaminones.","The Journal of organic chemistry","2015","80","20","10016","10024","10.1021/acs.joc.5b01613","","","1.54178","CuKα","","0.0363","0.0358","","","0.0952","0.0957","","","","","","1.072","","","","has coordinates","234573","2020-10-21","18:00:00",""
"4036343","8.033","0.002","10.739","0.003","18.778","0.005","90","","90","","90","","1619.9","0.7","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Zhao, Li-Ming; Zhang, Ai-Li; Gao, Hua-Shuai; Zhang, Jie-Huan","Synthesis of Furo[3,2-c]benzopyrans via an Intramolecular [4 + 2] Cycloaddition Reaction of o-Quinonemethides.","The Journal of organic chemistry","2015","80","20","10353","10358","10.1021/acs.joc.5b01641","","","0.71073","MoKα","","0.0383","0.035","","","0.0842","0.0873","","","","","","1.057","","","","has coordinates","234579","2020-10-21","18:00:00",""
"4036345","8.9617","","18.2627","","27.926","","90","","90","","90","","4570.5","","93.15","","93.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 F6 -","- C30 H20 F6 -","- C240 H160 F48 -","8","2","","Nogami, Emiko; Yamazaki, Takashi; Kubota, Toshio; Yajima, Tomoko","Stereochemical Investigation of the Products of the Photoinduced Perfluoroalkylation-Dimerization of Anthracene.","The Journal of organic chemistry","2015","80","18","9208","9213","10.1021/acs.joc.5b01655","","","0.71073","MoKα","","0.053","0.041","","","0.1126","0.124","","","","","","0.8334","","","","has coordinates","234582","2020-10-21","18:00:00",""
"4036347","4.9357","0.0007","22.117","0.003","27.42","0.004","90","","90","","90","","2993.2","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 N6 O5 -","- C27 H39 N6 O5 -","- C108 H156 N24 O20 -","4","1","","Duttagupta, Indranil; Misra, Debojyoti; Bhunya, Sourav; Paul, Ankan; Sinha, Surajit","Cis-Trans Conformational Analysis of δ-Azaproline in Peptides.","The Journal of organic chemistry","2015","80","21","10585","10604","10.1021/acs.joc.5b01668","","","0.71073","MoKα","","0.1853","0.0904","","","0.2001","0.2387","","","","","","0.982","","","","has coordinates,has disorder","234586","2020-10-21","18:00:00",""
"4036368","9.588","0.0003","12.774","0.0003","21.6395","0.0007","90","","90","","90","","2650.34","0.13","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N3 O7 -","- C27 H30 N3 O7 -","- C108 H120 N12 O28 -","4","1","","Yin, Chengkai; Lin, Lili; Zhang, Dong; Feng, Juhua; Liu, Xiaohua; Feng, Xiaoming","Asymmetric [3 + 2] Cycloaddition of Methyleneindolinones with N,N'-Cyclic Azomethine Imines Catalyzed by a N,N'-Dioxide-Mg(OTf)2 Complex.","The Journal of organic chemistry","2015","80","19","9691","9699","10.1021/acs.joc.5b01760","","x-ray","1.54184","CuKα","","0.0531","0.0513","","","0.1366","0.1405","","","","","","1.131","","","","has coordinates","234616","2020-10-21","18:00:00",""
"4036369","8.6835","0.0001","10.0878","0.0002","27.4865","0.0004","90","","90","","90","","2407.75","0.07","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Cl2 N O P Pd S -","- C24 H26 Cl2 N O P Pd S -","- C96 H104 Cl8 N4 O4 P4 Pd4 S4 -","4","1","","McCartney, Dennis; Nottingham, Chris; Müller-Bunz, Helge; Guiry, Patrick J.","Exploiting the gem-Disubstitution Effect in FcPHOX and HetPHOX P,N Ligands: Synthesis and Applications in Pd-Catalyzed Intermolecular Heck Reactions.","The Journal of organic chemistry","2015","80","20","10151","10162","10.1021/acs.joc.5b01764","","","0.71073","MoKα","","0.022","0.0203","","","0.0444","0.0451","","","","","","1.072","","","","has coordinates","234618","2020-10-21","18:00:00",""
"4036373","7.46927","0.00006","19.6221","0.0002","20.6504","0.0002","90","","90","","90","","3026.58","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 Fe N O2 Si -","- C34 H41 Fe N O2 Si -","- C136 H164 Fe4 N4 O8 Si4 -","4","1","","Nottingham, Chris; Benson, Robert; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Ferrocene Oxazoline N,O ligands and Their Application in Asymmetric Ethyl- and Phenylzinc Additions to Aldehydes.","The Journal of organic chemistry","2015","80","20","10163","10176","10.1021/acs.joc.5b01766","","","0.71073","MoKα","","0.0247","0.0236","","","0.0634","0.0641","","","","","","1.061","","","","has coordinates","234620","2020-10-21","18:00:00",""
"4036378","9.54492","0.00006","12.68954","0.00007","19.9983","0.0001","90","","90","","90","","2422.21","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N3 O2 -","- C27 H35 N3 O2 -","- C108 H140 N12 O8 -","4","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","1.54184","CuKα","","0.0277","0.0266","","","0.0678","0.0686","","","","","","1.037","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036383","9.3141","0.0002","11.2722","0.0002","26.2759","0.0004","90","","90","","90","","2758.72","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 Cl2 N3 O2 Zn -","- C27 H35 Cl2 N3 O2 Zn -","- C108 H140 Cl8 N12 O8 Zn4 -","4","1","","O'Reilly, Steven; Aylward, Miriam; Keogh-Hansen, Caoimhe; Fitzpatrick, Brian; McManus, Helen A.; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis of Bis(oxazoline) Ligands Possessing C-5 gem-Disubstitution and Their Application in Asymmetric Friedel-Crafts Alkylations.","The Journal of organic chemistry","2015","80","20","10177","10186","10.1021/acs.joc.5b01767","","","0.71073","MoKα","","0.0275","0.0247","","","0.049","0.0502","","","","","","1.04","","","","has coordinates","234622","2020-10-21","18:00:00",""
"4036387","9.872","0.002","12.077","0.003","16.125","0.004","90","","90","","90","","1922.5","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.1021","0.0629","","","0.1317","0.1711","","","","","","1.081","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036393","12.5302","0.0011","13.0867","0.0011","22.9933","0.0019","90","","90","","90","","3770.4","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H55 O6 -","- C42 H55 O6 -","- C168 H220 O24 -","4","1","","Ghorai, Manas K.; Halder, Sandipan; Das, Subhomoy","Domino Michael-Michael and Aldol-Aldol Reactions: Diastereoselective Synthesis of Functionalized Cyclohexanone Derivatives Containing Quaternary Carbon Center.","The Journal of organic chemistry","2015","80","19","9700","9712","10.1021/acs.joc.5b01768","","","0.71073","MoKα","","0.2321","0.0727","","","0.1188","0.1821","","","","","","0.954","","","","has coordinates","234624","2020-10-21","18:00:00",""
"4036395","5.5809","0.0003","14.442","0.0007","16.1693","0.0007","90","","90","","90","","1303.24","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Chinta, Bhavani Shankar; Baire, Beeraiah","Stereoselective, Cascade Synthesis of trans-Enynones through Coupling-Isomerization Reaction.","The Journal of organic chemistry","2015","80","20","10208","10217","10.1021/acs.joc.5b01780","","","0.71073","MoKα","","0.0396","0.0324","","","0.0741","0.0784","","","","","","1.031","","","","has coordinates","234627","2020-10-21","18:00:00",""
"4036401","9.96","0.002","18.65","0.004","28.449","0.005","90","","90","","90","","5284.5","1.8","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27.5 H30.5 Cl1.5 N2 O3 -","- C27.5 H30.5 Cl1.5 N2 O3 -","- C220 H244 Cl12 N16 O24 -","8","2","","Attaba, Nassilia; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective NHC-Catalyzed Redox [4 + 2]-Hetero-Diels-Alder Reactions Using α,β-Unsaturated Trichloromethyl Ketones as Amide Equivalents.","The Journal of organic chemistry","2015","80","19","9728","9739","10.1021/acs.joc.5b01820","","","1.54187","CuKα","","0.0791","0.0741","","","0.2054","0.212","","","","","","1.066","","","","has coordinates","234639","2020-10-21","18:00:00",""
"4036408","10.6682","0.0004","18.2369","0.0007","24.0876","0.001","90","","90","","90","","4686.4","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O2 -","- C28 H39 N O2 -","- C224 H312 N8 O16 -","8","2","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.0402","0.0384","","","0.1028","0.1044","","","","","","1.039","","","","has coordinates","234646","2020-10-21","18:00:00",""
"4036409","6.2753","0.0002","14.5021","0.0004","36.3418","0.0011","90","","90","","90","","3307.29","0.17","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 O3 -","- C18 H30 O3 -","- C144 H240 O24 -","8","2","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.074","0.0512","","","0.1119","0.1236","","","","","","1.011","","","","has coordinates","234648","2020-10-21","18:00:00",""
"4036410","8.1042","0.0004","11.0238","0.0005","21.4504","0.001","90","","90","","90","","1916.36","0.16","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O3 -","- C22 H36 O3 -","- C88 H144 O12 -","4","1","","Sharpe, Robert J.; Johnson, Jeffrey S.","Asymmetric Total Synthesis of the Indole Diterpene Alkaloid Paspaline.","The Journal of organic chemistry","2015","80","19","9740","9766","10.1021/acs.joc.5b01844","","","1.54178","CuKα","","0.0351","0.0326","","","0.0842","0.0864","","","","","","1.052","","","","has coordinates","234649","2020-10-21","18:00:00",""
"4036423","9.9945","0.0003","12.2392","0.0005","13.0852","0.0004","90","","90","","90","","1600.64","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Maury, Julien; Clayden, Jonathan","α-Quaternary Proline Derivatives by Intramolecular Diastereoselective Arylation of N-Carboxamido Proline Ester Enolates.","The Journal of organic chemistry","2015","80","21","10757","10768","10.1021/acs.joc.5b01912","","","1.54178","CuKα","","0.0605","0.056","","","0.1501","0.1541","","","","","","1.099","","","","has coordinates","234669","2020-10-21","18:00:00",""
"4036424","7.1026","0.0003","10.6355","0.0005","15.9122","0.0006","90","","90","","90","","1202","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Maury, Julien; Clayden, Jonathan","α-Quaternary Proline Derivatives by Intramolecular Diastereoselective Arylation of N-Carboxamido Proline Ester Enolates.","The Journal of organic chemistry","2015","80","21","10757","10768","10.1021/acs.joc.5b01912","","","1.54178","CuKα","","0.0476","0.044","","","0.1102","0.1121","","","","","","1.005","","","","has coordinates","234670","2020-10-21","18:00:00",""
"4036427","9.5132","0.0009","13.7101","0.0012","21.3394","0.0019","90","","90","","90","","2783.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Br N2 O2 S -","- C31 H29 Br N2 O2 S -","- C124 H116 Br4 N8 O8 S4 -","4","1","","Huang, You-ming; Zheng, Chang-wu; Pan, Lu; Jin, Qiao-wen; Zhao, Gang","Palladium(II)-Catalyzed Formal [3 + 2] Cycloaddition of Aziridines with 3-Substituted Indoles: Synthesis of Enantioenriched Pyrroloindolines.","The Journal of organic chemistry","2015","80","21","10710","10718","10.1021/acs.joc.5b01931","","","0.71073","MoKα","","0.064","0.0384","","","0.0782","0.0864","","","","","","0.972","","","","has coordinates","234676","2020-10-21","18:00:00",""
"4036444","6.132","0.0002","10.695","0.0003","18.0264","0.0005","90","","90","","90","","1182.2","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-((1R,2R,4S,5S,8r)-8-Phenyltricyclo[3.2.1.0^2,4^]octan-8-yl) ethan-1-one","","- C16 H18 O -","- C16 H18 O -","- C64 H72 O4 -","4","1","","Apeland, Ingrid Malene; Rosenberg, Murray G.; Arion, Vladimir B.; Kählig, Hanspeter; Brinker, Udo H.","Intermolecular Reactions of a Foiled Carbene with Carbonyl Compounds: The Effects of Trishomocyclopropyl Stabilization.","The Journal of organic chemistry","2015","80","23","11877","11887","10.1021/acs.joc.5b01988","","","0.71073","MoKα","","0.061","0.044","","","0.1008","0.1099","","","","","","1.048","","","","has coordinates","234700","2020-10-21","18:00:00",""
"4036450","5.962","0.002","15.826","0.006","22.366","0.009","90","","90","","90","","2110.3","1.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Fe N2 O4 -","- C24 H24 Fe N2 O4 -","- C96 H96 Fe4 N8 O16 -","4","1","","Koizumi, Akihiro; Kimura, Midori; Arai, Yuri; Tokoro, Yuichiro; Fukuzawa, Shin-ichi","Copper- and Silver-Catalyzed Diastereo- and Enantioselective Conjugate Addition Reaction of 1-Pyrroline Esters to Nitroalkenes: Diastereoselectivity Switch by Chiral Metal Complexes.","The Journal of organic chemistry","2015","80","21","10883","10891","10.1021/acs.joc.5b02024","","","0.71075","MoKα","","0.0624","0.0492","","","0.1132","0.1263","","","","","","0.746","","","","has coordinates","234708","2020-10-21","18:00:00",""
"4036455","5.8916","0.0002","9.3511","0.0003","37.0887","0.0011","90","","90","","90","","2043.33","0.11","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O7 -","- C22 H24 N2 O7 -","- C88 H96 N8 O28 -","4","1","","Hooper, Joel F.; James, Natalie C.; Bozkurt, Esra; Aviyente, Viktorya; White, Jonathan M.; Holland, Mareike C.; Gilmour, Ryan; Holmes, Andrew B.; Houk, K. N.","Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction.","The Journal of organic chemistry","2015","80","24","12058","12075","10.1021/acs.joc.5b02037","","","1.5418","CuKα","","0.0809","0.0576","","","0.1248","0.132","","","","","","1.042","","","","has coordinates","234715","2020-10-21","18:00:00",""
"4036466","6.3582","0.0004","8.2725","0.0005","46.165","0.003","90","","90","","90","","2428.2","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br N4 O5 -","- C24 H23 Br N4 O5 -","- C96 H92 Br4 N16 O20 -","4","1","","Lee, Hyo-Jun; Cho, Chang-Woo","Enantioselective Phase-Transfer-Catalyzed Synthesis of Chiral N-Substituted 3,3-Dinitroazetidines by Aza-Michael Reaction.","The Journal of organic chemistry","2015","80","22","11435","11440","10.1021/acs.joc.5b02124","","","1.54178","CuKα","","0.0586","0.0544","","","0.1419","0.1455","","","","","","1.052","","","","has coordinates","234731","2020-10-21","18:00:00",""
"4036473","11.3528","0.0006","12.4313","0.0007","19.1537","0.001","90","","90","","90","","2703.2","0.3","150","2","150","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C40 H26 -","- C40 H26 -","- C160 H104 -","4","1","","Feng, Xing; Tomiyasu, Hirotsugu; Hu, Jian-Yong; Wei, Xianfu; Redshaw, Carl; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.; Yamato, Takehiko","Regioselective Substitution at the 1,3- and 6,8-Positions of Pyrene for the Construction of Small Dipolar Molecules.","The Journal of organic chemistry","2015","80","21","10973","10978","10.1021/acs.joc.5b02128","","","0.71073","MoKα","","0.06","0.0465","","","0.1157","0.1219","","","","","","1.075","","","","has coordinates","234741","2020-10-21","18:00:00",""
"4036499","9.5256","0.0007","9.8263","0.001","14.0527","0.0011","90","","90","","90","","1315.35","0.19","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br N O3 -","- C13 H12 Br N O3 -","- C52 H48 Br4 N4 O12 -","4","1","","Chen, Lin; Wu, Zhi-Jun; Zhang, Ming-Liang; Yue, Deng-Feng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Organocatalytic Asymmetric Michael/Cyclization Cascade Reactions of 3-Hydroxyoxindoles/3-Aminooxindoles with α,β-Unsaturated Acyl Phosphonates for the Construction of Spirocyclic Oxindole-γ-lactones/lactams.","The Journal of organic chemistry","2015","80","24","12668","12675","10.1021/acs.joc.5b02253","","","0.71073","MoKα","","0.1078","0.059","","","0.1325","0.1715","","","","","","1.083","","","","has coordinates","234778","2020-10-21","18:00:00",""
"4036506","6.7926","0.0005","14.0221","0.0009","16.7829","0.0011","90","","90","","90","","1598.51","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N'-([1,1'-biphenyl]-2,2'-diyl)-bis(N-methylacetamide)","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","1","","Mazzanti, Andrea; Chiarucci, Michel; Prati, Luca; Bentley, Keith W.; Wolf, Christian","Computational and DNMR Analysis of the Conformational Isomers and Stereodynamics of Secondary 2,2'-Bisanilides.","The Journal of organic chemistry","2016","81","1","89","99","10.1021/acs.joc.5b02330","","","0.71073","MoKα","","0.0509","0.0427","","","0.1242","0.1388","","","","","","1.091","","","","has coordinates","276330","2022-06-28","15:14:19",""
"4036534","5.7493","0.0003","13.9077","0.0008","14.6539","0.0009","90","","90","","90","","1171.72","0.12","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H11 F -","- C18 H10 F -","- C72 H40 F4 -","4","1","","Banerjee, Shaibal; Sinha, Saikat; Pradhan, Padmanava; Caruso, Alessio; Liebowitz, Daniel; Parrish, Damon; Rossi, Miriam; Zajc, Barbara","Regiospecifically Fluorinated Polycyclic Aromatic Hydrocarbons via Julia-Kocienski Olefination and Oxidative Photocyclization. Effect of Fluorine Atom Substitution on Molecular Shape.","The Journal of organic chemistry","2016","81","10","3983","3993","10.1021/acs.joc.5b02580","","","0.71073","MoKα","","0.0493","0.0436","","","0.108","0.1114","","","","","","1.073","","","","has coordinates,has disorder","234831","2020-10-21","18:00:00",""
"4036549","5.8866","0.0002","8.325","0.0002","38.2408","0.001","90","","90","","90","","1874.03","0.09","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 F N3 O5 S -","- C17 H20 F N3 O5 S -","- C68 H80 F4 N12 O20 S4 -","4","1","","Wu, Yong-Jin; Guernon, Jason; Park, Hyunsoo; Thompson, Lorin A.","Expedient Synthesis of Furo[2,3-d][1,3]thiazinamines and Pyrano[2,3-d][1,3]thiazinamines from Enones and Thiourea.","The Journal of organic chemistry","2016","81","8","3386","3390","10.1021/acs.joc.5b02705","","x-ray","1.54178","CuKα","","0.0272","0.0267","","","0.0723","0.0727","","","","","","1.046","","","","has coordinates","234859","2020-10-21","18:00:00",""
"4036550","5.8864","0.0002","8.3268","0.0003","38.2524","0.0012","90","","90","","90","","1874.94","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 F N3 O5 S -","- C17 H20 F N3 O5 S -","- C68 H80 F4 N12 O20 S4 -","4","1","","Wu, Yong-Jin; Guernon, Jason; Park, Hyunsoo; Thompson, Lorin A.","Expedient Synthesis of Furo[2,3-d][1,3]thiazinamines and Pyrano[2,3-d][1,3]thiazinamines from Enones and Thiourea.","The Journal of organic chemistry","2016","81","8","3386","3390","10.1021/acs.joc.5b02705","","x-ray","1.54178","CuKα","","0.0262","0.026","","","0.0678","0.0679","","","","","","1.087","","","","has coordinates","234859","2020-10-21","18:00:00",""
"4036561","11.406","0.003","13.239","0.003","23.993","0.007","90","","90","","90","","3623","1.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","57 in manuscript","","","- C32 H59 N O4 Si2 -","- C32 H59 N O4 Si2 -","- C128 H236 N4 O16 Si8 -","4","1","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0796","0.0528","","","0.1101","0.1188","","","","","","0.886","","","","has coordinates","234876","2020-10-21","18:00:00",""
"4036562","11.4204","0.0008","17.2635","0.0013","33.066","0.003","90","","90","","90","","6519.2","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","41 in manuscript","","","- C29 H52 N O4 Si -","- C29 H52 N O4 Si -","- C232 H416 N8 O32 Si8 -","8","2","","Essig, Sebastian; Menche, Dirk","Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.","The Journal of organic chemistry","2016","81","5","1943","1966","10.1021/acs.joc.5b02781","","","0.71073","MoKα","","0.0583","0.044","","","0.1004","0.1078","","","","","","1.047","","","","has coordinates","234876","2020-10-21","18:00:00",""
"4036588","6.5732","0.0001","10.1967","0.0002","27.5648","0.0005","90","","90","","90","","1847.53","0.06","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N O4 -","- C18 H29 N O4 -","- C72 H116 N4 O16 -","4","1","","Chattopadhyay, Amit Kumar; Menz, Helge; Ly, Vu Linh; Dorich, Stéphane; Hanessian, Stephen","Synthesis of a Model Tetracyclic Core Structure of Calyciphylline B-Type Alkaloids.","The Journal of organic chemistry","2016","81","5","2182","2188","10.1021/acs.joc.5b02875","","","1.54178","CuKα","","0.0348","0.0324","","","0.0888","0.0905","","","","","","1.067","","","","has coordinates","234915","2020-10-21","18:00:00",""
"4036607","9.121","0.003","10.294","0.003","45.103","0.012","90","","90","","90","","4235","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br O3 -","- C26 H19 Br O3 -","- C208 H152 Br8 O24 -","8","2","","Madhusudhan Reddy, G.; Ko, Chi-Ting; Hsieh, Kai-Hong; Lee, Chia-Jui; Das, Utpal; Lin, Wenwei","Expanding the Scope of Primary Amine Catalysis: Stereoselective Synthesis of Indanedione-Fused 2,6-Disubstituted trans-Spirocyclohexanones.","The Journal of organic chemistry","2016","81","6","2420","2431","10.1021/acs.joc.5b02921","","","0.71073","MoKα","","0.0999","0.0515","","","0.1018","0.1159","","","","","","1.055","","","","has coordinates,has disorder","234949","2020-10-21","18:00:00",""
"4036616","5.8991","0.0001","12.6249","0.0001","16.8455","0.0002","90","","90","","90","","1254.58","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0296","0.0288","","0.0749","0.0739","0.0749","","","","","","1.0027","","","","has coordinates","234967","2020-10-21","18:00:00",""
"4036617","7.0022","0.0001","12.5744","0.0001","14.0683","0.0002","90","","90","","90","","1238.69","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0257","0.0252","","0.0664","0.066","0.0664","","","","","","1.0003","","","","has coordinates","234968","2020-10-21","18:00:00",""
"4036619","8.3922","0.0001","8.6217","0.0001","17.1215","0.0001","90","","90","","90","","1238.83","0.02","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0263","0.0261","","0.0683","0.0681","0.0683","","","","","","1.0094","","","","has coordinates","234972","2020-10-21","18:00:00",""
"4036620","6.2794","0.0001","13.2695","0.0001","23.5284","0.0002","90","","90","","90","","1960.49","0.04","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O3 S2 -","- C19 H28 O3 S2 -","- C76 H112 O12 S8 -","4","1","","Chang, Ee Ling; Bolte, Benoit; Lan, Ping; Willis, Anthony C.; Banwell, Martin G.","Chemoenzymatic Total Syntheses of the Enantiomers of the Protoilludanes 8-Deoxydihydrotsugicoline and Radudiol.","The Journal of organic chemistry","2016","81","5","2078","2086","10.1021/acs.joc.6b00043","","","1.54184","CuKα","","0.0226","0.022","","0.0582","0.0579","0.0582","","","","","","1.0079","","","","has coordinates","234974","2020-10-21","18:00:00",""
"4036622","12.8626","0.0011","17.9115","0.0016","20.6589","0.0019","90","","90","","90","","4759.6","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 N4 O P -","- C22 H33 N4 O P -","- C176 H264 N32 O8 P8 -","8","2","","Yang, Bing; Shen, Minxing; Ji, Xiaozhou; Xu, Ziyan; Sun, Hao; Jiang, Bo; Li, Guigen","Chiral N-Phosphonyl Imines for an Aza-Morita-Baylis-Hillman Reaction via Group-Assisted Purification (GAP) Chemistry.","The Journal of organic chemistry","2016","81","6","2488","2493","10.1021/acs.joc.6b00049","","","0.71073","MoKα","","0.1377","0.0499","","","0.069","0.0767","","","","","","1.035","","","","has coordinates","234978","2020-10-21","18:00:00",""
"4036638","10.872","0.004","12.354","0.004","17.965","0.006","90","","90","","90","","2412.9","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N3 O6 S -","- C24 H23 N3 O6 S -","- C96 H92 N12 O24 S4 -","4","1","","Zeng, Xue-Mei; Xie, Jian-Wu","Enantioselective Synthesis of Ring-Fused Spiroannulated 1,2,3-Thiadiazole Derivatives.","The Journal of organic chemistry","2016","81","9","3553","3559","10.1021/acs.joc.6b00127","","","0.71073","MoKα","","0.1172","0.0584","","","0.1347","0.1662","","","","","","1.004","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4036643","5.0396","0.0003","6.4746","0.0005","23.7857","0.0014","90","","90","","90","","776.11","0.09","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 Te -","- C8 H8 O2 Te -","- C32 H32 O8 Te4 -","4","1","","Prasad, Poonam Rajesh; Selvakumar, Karuthapandi; Singh, Harkesh B.; Butcher, Ray J.","Synthesis, Structure, and Bonding of 1-Oxa-6,6aλ(4)- chalcogenopentalenes and Related Derivatives; The Role of Intramolecular Coordination.","The Journal of organic chemistry","2016","81","8","3214","3226","10.1021/acs.joc.6b00173","","","1.54184","CuKα","","0.0708","0.063","","","0.1647","0.175","","","","","","1.081","","","","has coordinates","235016","2020-10-21","18:00:00",""
"4036650","4.3708","0.0002","13.7544","0.0005","15.5815","0.0005","90","","90","","90","","936.72","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","","Kerisit, Nicolas; Rouxel, Cédric; Colombel-Rouen, Sophie; Toupet, Loïc; Guillemin, Jean-Claude; Trolez, Yann","Synthesis, Chemistry, and Photochemistry of Methylcyanobutadiyne in the Context of Space Science.","The Journal of organic chemistry","2016","81","9","3560","3567","10.1021/acs.joc.6b00205","","","0.71073","MoKα","","0.0455","0.0396","","","0.0886","0.092","","","","","","1.047","","","","has coordinates","235029","2020-10-21","18:00:00",""
"4036665","4.948","0.002","12.937","0.003","13.024","0.003","90","","90","","90","","833.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N O6 P2 -","- C5 H7 N O6 P2 -","- C20 H28 N4 O24 P8 -","4","1","","Dziuganowska, Zofia A.; Ślepokura, Katarzyna; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc; Kafarski, Paweł","Structural Analogues of Selfotel.","The Journal of organic chemistry","2016","81","12","4947","4954","10.1021/acs.joc.6b00220","","","0.71073","MoKα","","0.045","0.04","","","0.1028","0.1052","","","","","","1.085","","","","has coordinates","235051","2020-10-21","18:00:00",""
"4036679","10.807","0.002","11.284","0.002","15.094","0.003","90","","90","","90","","1840.7","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","8","","","- C20 H26 Cl N3 O -","- C20 H26 Cl N3 O -","- C80 H104 Cl4 N12 O4 -","4","1","","Turočkin, Aleksej; Honeker, Roman; Raven, William; Selig, Philipp","Synthesis of Chiral Bicyclic Guanidinium Salts using Di(imidazole-1-yl)methanimine.","The Journal of organic chemistry","2016","81","11","4516","4529","10.1021/acs.joc.6b00283","","","0.71073","MoKα","","0.0403","0.0365","","","0.0882","0.0915","","","","","","1.033","","","","has coordinates","235074","2020-10-21","18:00:00",""
"4036685","8.352","0.003","9.152","0.004","9.948","0.003","90","","90","","90","","760.4","0.5","100","2","100","2","","","","","","","Clement Fontenelle","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F4 O4 -","- C6 H8 F4 O4 -","- C24 H32 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0541","0.0463","","","0.1118","0.1142","","","","","","0.994","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036686","6.409","0.003","13.252","0.006","15.665","0.007","90","","90","","90","","1330.5","1.1","100","2","100","2","","","","","","","Samuel Golten","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F4 O4 -","- C13 H14 F4 O4 -","- C52 H56 F16 O16 -","4","1","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","","0.71075","MoKα","","0.0482","0.0439","","","0.0708","0.0724","","","","","","1.164","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036692","8.03533","0.00015","9.59356","0.00019","41.5946","0.0009","90","","90","","90","","3206.42","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F4 O4 -","- C17 H16 F4 O4 -","- C136 H128 F32 O32 -","8","2","","Golten, Samuel; Fontenelle, Clément Q; Timofte, Roxana S.; Bailac, Laura; Light, Mark; Sebban, Muriel; Oulyadi, Hassan; Linclau, Bruno","Enantioselective Synthesis of Dideoxy-tetrafluorinated Hexoses.","The Journal of organic chemistry","2016","81","11","4434","4453","10.1021/acs.joc.6b00302","","x-ray","0.71073","MoKα","","0.048","0.0453","","","0.1188","0.1212","","","","","","1.034","","","","has coordinates","235077","2020-10-21","18:00:00",""
"4036694","9.769","0.002","10.877","0.003","18.235","0.004","90","","90","","90","","1937.6","0.8","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O2 S -","- C22 H21 N O2 S -","- C88 H84 N4 O8 S4 -","4","1","","Liang, Zhi-Qin; Yi, Liang; Chen, Kun-Quan; Ye, Song","N-Heterocyclic Carbene-Catalyzed [3 + 4] Annulation of Enals and Alkenyl Thiazolones: Enantioselective Synthesis of Thiazole-Fused ε-Lactones.","The Journal of organic chemistry","2016","81","11","4841","4846","10.1021/acs.joc.6b00313","","","0.71073","MoKα","","0.0325","0.0322","","","0.1125","0.113","","","","","","0.972","","","","has coordinates","235082","2020-10-21","18:00:00",""
"4036698","8.477","0.0003","10.9753","0.0004","25.6472","0.0009","90","","90","","90","","2386.15","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","ethyl (6aS,7R,7aS)-3-bromo-6-chloro-6a,7a-dihydro-7H -cyclopropa[d]imidazo[1,2-b]pyridazine-7-carboxylate","","- C10 H9 Br Cl N3 O2 -","- C10 H9 Br Cl N3 O2 -","- C80 H72 Br8 Cl8 N24 O16 -","8","2","","Joshi-Pangu, Amruta; Cohen, Ryan D.; Tudge, Matthew T.; Chen, Yonggang","Dearomatization of Electron-Deficient Nitrogen Heterocycles via Cobalt-Catalyzed Asymmetric Cyclopropanation.","The Journal of organic chemistry","2016","81","8","3070","3075","10.1021/acs.joc.6b00322","","","1.54178","CuKα","","0.0149","0.0147","","","0.0374","0.0375","","","","","","1.042","","","","has coordinates","235090","2020-10-21","18:00:00",""
"4036701","6.3341","0.0005","12.6687","0.0011","14.0857","0.0012","90","","90","","90","","1130.3","0.16","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","","Bagdasarian, Alex L.; Nguyen, Huy H.; Palazzo, Teresa A.; Fettinger, James C.; Haddadin, Makhluf J.; Kurth, Mark J.","One-Pot Synthesis of Benzo[4,5]imidazo[2,1-a]isoquinolines and Isoquinolino[3,4-b]quinoxalines via Tandem Cyclization Strategies.","The Journal of organic chemistry","2016","81","9","3924","3928","10.1021/acs.joc.6b00338","","","1.54178","CuKα","","0.0272","0.0272","","","0.0729","0.0729","","","","","","1.053","","","","has coordinates","235097","2020-10-21","18:00:00",""
"4036715","6.3888","0.0011","21.936","0.004","22.578","0.004","90","","90","","90","","3164.2","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N O2 -","- C42 H33 N O2 -","- C168 H132 N4 O8 -","4","1","","Li, Xiangdong; Xie, Xin; Liu, Yuanhong","Gold(I)-Catalyzed Cascade Hydroarylation/Cycloaromatization to Indolizines via Pyridine Ring Construction.","The Journal of organic chemistry","2016","81","9","3688","3699","10.1021/acs.joc.6b00346","","","0.71073","MoKα","","0.076","0.0476","","","0.1035","0.116","","","","","","0.953","","","","has coordinates","235122","2020-10-21","18:00:00",""
"4036717","7.2421","0.0016","7.249","0.0016","12.642","0.003","90","","90","","90","","663.7","0.3","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 N6 -","- C4 H8 N6 -","- C16 H32 N24 -","4","1","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0381","0.0369","","","0.0953","0.096","","","","","","1.103","","","","has coordinates","235126","2020-10-21","18:00:00",""
"4036724","7.083","0.0007","11.3665","0.0014","12.0396","0.0015","90","","90","","90","","969.3","0.19","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 N6 -","- C7 H14 N6 -","- C28 H56 N24 -","4","1","","List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens","N-Methylmelamines: Synthesis, Characterization, and Physical Properties.","The Journal of organic chemistry","2016","81","10","4066","4075","10.1021/acs.joc.6b00355","","","0.71073","MoKα","","0.0579","0.0429","","","0.1153","0.1247","","","","","","1.051","","","","has coordinates","235133","2020-10-21","18:00:00",""
"4036730","7.5811","0.0002","11.5805","0.0003","24.0536","0.0009","90","","90","","90","","2111.74","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O2 -","- C25 H29 N O2 -","- C100 H116 N4 O8 -","4","1","","Buchman, Marek; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Houlsby, Ian T. T.; Roberts, Paul M.; Rowe, Sam M.; Thomson, James E.","Asymmetric Syntheses of (+)-Preussin B, the C(2)-Epimer of (-)-Preussin B, and 3-Deoxy-(+)-preussin B.","The Journal of organic chemistry","2016","81","12","4907","4922","10.1021/acs.joc.6b00362","","","0.71073","MoKα","","0.0577","0.043","","0.0999","0.092","0.0999","","","","","","0.9877","","","","has coordinates","235139","2020-10-21","18:00:00",""
"4036732","9.5696","0.0007","10.6323","0.0006","26.1335","0.0014","90","","90","","90","","2659","0.3","300.79","0.1","300.79","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 Br N O3 -","- C27 H38 Br N O3 -","- C108 H152 Br4 N4 O12 -","4","1","","Zhang, Xiang-Zhi; Deng, Yu-Hua; Yan, Xu; Yu, Ke-Yin; Wang, Fang-Xin; Ma, Xiao-Yan; Fan, Chun-An","Diastereoselective and Enantioselective Synthesis of Unsymmetric β,β-Diaryl-α-Amino Acid Esters via Organocatalytic 1,6-Conjugate Addition of para-Quinone Methides.","The Journal of organic chemistry","2016","81","13","5655","5662","10.1021/acs.joc.6b00390","","x-ray","1.54184","CuKα","","0.0479","0.0419","","","0.1078","0.1173","","","","","","1.09","","","","has coordinates","235143","2020-10-21","18:00:00",""
"4036734","7.888","0.004","12.138","0.005","16.364","0.008","90","","90","","90","","1566.8","1.3","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 I2 N2 -","- C10 H2 Br4 I2 N2 -","- C40 H8 Br16 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.033","0.0296","","","0.0679","0.0695","","","","","","1.07","","","","has coordinates","235148","2020-10-21","18:00:00",""
"4036735","7.8","0.003","11.334","0.005","18.031","0.007","90","","90","","90","","1594","1.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 I2 N2 -","- C10 H2 Br4 I2 N2 -","- C40 H8 Br16 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0339","0.0316","","","0.074","0.0756","","","","","","1.096","","","","has coordinates","235150","2020-10-21","18:00:00",""
"4036736","7.997","0.002","11.722","0.002","16.948","0.003","90","","90","","90","","1588.7","0.6","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 I2 N2 -","- C10 H2 Br4 I2 N2 -","- C40 H8 Br16 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0249","0.0231","","","0.0543","0.0551","","","","","","1.086","","","","has coordinates","235152","2020-10-21","18:00:00",""
"4036737","8.028","0.002","11.128","0.002","18.411","0.004","90","","90","","90","","1644.8","0.6","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 I4 N2 -","- C10 H2 Br2 I4 N2 -","- C40 H8 Br8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0201","0.0196","","","0.0469","0.0471","","","","","","1.15","","","","has coordinates","235154","2020-10-21","18:00:00",""
"4036738","7.779","0.004","12.148","0.005","16.057","0.007","90","","90","","90","","1517.4","1.2","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 Cl2 I2 N2 -","- C10 H2 Br2 Cl2 I2 N2 -","- C40 H8 Br8 Cl8 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0213","0.0197","","","0.0426","0.0431","","","","","","1.069","","","","has coordinates","235156","2020-10-21","18:00:00",""
"4036739","7.985","0.003","11.766","0.004","17.716","0.007","90","","90","","90","","1664.4","1.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 I4 N2 -","- C10 H2 Br2 I4 N2 -","- C40 H8 Br8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0291","0.0287","","","0.0753","0.0755","","","","","","1.105","","","","has coordinates","235158","2020-10-21","18:00:00",""
"4036740","7.957","0.003","10.91","0.004","18.607","0.007","90","","90","","90","","1615.3","1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Cl2 I4 N2 -","- C10 H2 Cl2 I4 N2 -","- C40 H8 Cl8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0167","0.0163","","","0.0389","0.0393","","","","","","1.122","","","","has coordinates","235159","2020-10-21","18:00:00",""
"4036741","8.219","0.003","11.493","0.005","18.059","0.007","90","","90","","90","","1705.9","1.2","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 I6 N2 -","- C10 H2 I6 N2 -","- C40 H8 I24 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0204","0.02","","","0.0486","0.0488","","","","","","1.22","","","","has coordinates","235161","2020-10-21","18:00:00",""
"4036742","7.6444","0.0001","11.7708","0.0002","16.6604","0.0003","90","","90","","90","","1499.11","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br6 N2 -","- C10 H2 Br6 N2 -","- C40 H8 Br24 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","1.54184","CuKα","","0.029","0.0287","","","0.0754","0.0754","","","","","","1.159","","","","has coordinates","235163","2020-10-21","18:00:00",""
"4036743","7.906","0.003","11.78","0.005","17.605","0.007","90","","90","","90","","1639.6","1.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Cl2 I4 N2 -","- C10 H2 Cl2 I4 N2 -","- C40 H8 Cl8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.022","0.0217","","","0.0519","0.052","","","","","","1.187","","","","has coordinates","235165","2020-10-21","18:00:00",""
"4036744","7.659","0.004","11.921","0.006","15.999","0.011","90","","90","","90","","1460.8","1.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br4 Cl2 N2 -","- C10 H2 Br4 Cl2 N2 -","- C40 H8 Br16 Cl8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0265","0.0236","","","0.0521","0.0532","","","","","","1.042","","","","has coordinates","235167","2020-10-21","18:00:00",""
"4036745","8.034","0.002","11.838","0.002","16.278","0.003","90","","90","","90","","1548.1","0.5","102","2","102","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 Cl2 I2 N2 -","- C10 H2 Br2 Cl2 I2 N2 -","- C40 H8 Br8 Cl8 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0163","0.0152","","","0.0331","0.0333","","","","","","1.081","","","","has coordinates","235168","2020-10-21","18:00:00",""
"4036746","8.177","0.006","12.152","0.008","16.434","0.01","90","","90","","90","","1633","1.9","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 I4 N2 -","- C10 H2 Br2 I4 N2 -","- C40 H8 Br8 I16 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0213","0.0191","","","0.0382","0.0389","","","","","","1.082","","","","has coordinates","235170","2020-10-21","18:00:00",""
"4036747","7.913","0.005","11.911","0.009","15.781","0.012","90","","90","","90","","1487.4","1.9","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H2 Br2 Cl2 I2 N2 -","- C10 H2 Br2 Cl2 I2 N2 -","- C40 H8 Br8 Cl8 I8 N8 -","4","1","","Mamane, V.; Peluso, P.; Aubert, E.; Cossu, S.; Pale, P.","Chiral Hexahalogenated 4,4'-Bipyridines.","The Journal of organic chemistry","2016","81","11","4576","4587","10.1021/acs.joc.6b00413","","","0.71073","MoKα","","0.0271","0.0243","","","0.0515","0.0523","","","","","","1.041","","","","has coordinates","235171","2020-10-21","18:00:00",""
"4036757","8.4882","0.0002","10.2664","0.0002","15.0606","0.0002","90","","90","","90","","1312.43","0.04","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.0298","0.029","","","0.0781","0.0791","","","","","","1.084","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4036758","8.5748","0.0003","10.793","0.0005","28.438","0.001","90","","90","","90","","2631.87","0.18","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","2","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.047","0.0449","","","0.1271","0.1281","","","","","","1.165","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036760","6.0837","0.0002","14.3011","0.0004","30.2301","0.0012","90","","90","","90","","2630.13","0.15","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","2","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54184","CuKα","","0.0401","0.0371","","","0.0935","0.0958","","","","","","1.04","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4036761","5.8785","0.0002","14.9793","0.0004","24.3269","0.0008","90","","90","","90","","2142.13","0.12","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O5 -","- C22 H34 O5 -","- C88 H136 O20 -","4","1","","Masnyk, Marek; Butkiewicz, Aleksandra; Górecki, Marcin; Luboradzki, Roman; Bannwarth, Christoph; Grimme, Stefan; Frelek, Jadwiga","Synthesis and Comprehensive Structural and Chiroptical Characterization of Enones Derived from (-)-α-Santonin by Experiment and Theory.","The Journal of organic chemistry","2016","81","11","4588","4600","10.1021/acs.joc.6b00416","","","1.54178","CuKα","","0.0532","0.0436","","","0.1147","0.1223","","","","","","1.046","","","","has coordinates","235196","2020-10-21","18:00:00",""
"4036770","5.88884","0.00012","12.3215","0.0003","22.2795","0.0005","90","","90","","90","","1616.59","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 S -","- C16 H22 O4 S -","- C64 H88 O16 S4 -","4","1","","Malassis, Julien; Bartlett, Nathan; Hands, Kane; Selby, Matthew D.; Linclau, Bruno","Total Synthesis of (-)-Luminacin D.","The Journal of organic chemistry","2016","81","9","3818","3837","10.1021/acs.joc.6b00489","","x-ray","0.71073","MoKα","","0.037","0.0312","","","0.073","0.0755","","","","","","1.066","","","","has coordinates","235214","2020-10-21","18:00:00",""
"4036780","8.21605","0.00005","15.48832","0.00009","26.12024","0.00014","90","","90","","90","","3323.87","0.03","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5R,6S)-1-((2R,4S,5S)-4-((tert.-butyldimethylsilyl)oxy)methyl)- tetrahydrofuran-2-yl)-5-hydroxy-3,5-dimethyl-6-phenyldihydro- pyrimidine-2,4(1H,3H)-dione","","- C29 H50 N2 O6 Si2 -","- C29 H50 N2 O6 Si2 -","- C116 H200 N8 O24 Si8 -","4","1","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","1.54178","CuKα","","0.0271","0.0267","","","0.0683","0.0686","","","","","","1.061","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036781","6.3869","0.0002","23.9885","0.0007","41.8744","0.0014","90","","90","","90","","6415.7","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-((tert-butyldimethylsilyl)oxy)-5-(((2-(trimethylsilyl)propan- 2-yl)oxy)methyl)tetrahydrofuran-2-yl)-5-hydroxy-5-methyl- 6-phenyldihydropyrimidine-2,4(1H,3H)-dione","","- C28 H48 N2 O6 Si2 -","- C28 H48 N2 O6 Si2 -","- C224 H384 N16 O48 Si16 -","8","2","","Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo","The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.","The Journal of organic chemistry","2016","81","9","3848","3859","10.1021/acs.joc.6b00495","","","1.54178","CuKα","","0.0891","0.0556","","","0.1117","0.1258","","","","","","1.026","","","","has coordinates","235219","2020-10-21","18:00:00",""
"4036784","10.651","0.002","17.148","0.003","18.327","0.004","90","","90","","90","","3347.3","1.1","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H48 N4 O6 Si2 -","- C24 H48 N4 O6 Si2 -","- C96 H192 N16 O24 Si8 -","4","1","","Henrion, Sylvain; Carboni, Bertrand; Cossío, Fernando P; Roisnel, Thierry; Villalgordo, Jose M.; Carreaux, François","Stereospecific Synthesis of α-Amino Allylsilane Derivatives through a [3,3]-Allyl Cyanate Rearrangement. Mild Formation of Functionalized Disiloxanes.","The Journal of organic chemistry","2016","81","11","4633","4644","10.1021/acs.joc.6b00505","","x-ray","0.71073","MoKα","","0.1972","0.0716","","","0.1221","0.1672","","","","","","0.913","","","","has coordinates","235225","2020-10-21","18:00:00",""
"4036786","10.539","0.002","10.686","0.002","15.652","0.003","90","","90","","90","","1762.7","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Huang, Ya-Nan; Li, Yin-Long; Li, Jian; Deng, Jun","Beyond a Protecting Reagent: DMAP-Catalyzed Cyclization of Boc-Anhydride with 2-Alkenylanilines.","The Journal of organic chemistry","2016","81","11","4645","4653","10.1021/acs.joc.6b00519","","","0.71073","MoKα","","0.0689","0.0464","","","0.1078","0.1161","","","","","","1.025","","","","has coordinates","235229","2020-10-21","18:00:00",""
"4036795","6.8209","0.0001","17.0464","0.0003","21.4158","0.0004","90","","90","","90","","2490.05","0.07","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 Br N O3 -","- C29 H34 Br N O3 -","- C116 H136 Br4 N4 O12 -","4","1","","Bedford, Robin B.; Brenner, Peter B.; Durrant, Steven J.; Gallagher, Timothy; Méndez-Gálvez, Carolina; Montgomery, Michelle","Palladium-Catalyzed Ortho-Arylation of Carbamate-Protected Estrogens.","The Journal of organic chemistry","2016","81","9","3473","3478","10.1021/acs.joc.6b00532","","","0.71073","MoKα","","0.0316","0.0268","","","0.062","0.0635","","","","","","1.0345","","","","has coordinates","235237","2020-10-21","18:00:00",""
"4036796","7.653","0.002","10.942","0.003","15.068","0.006","90","","90","","90","","1261.8","0.7","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 S -","- C16 H16 S -","- C64 H64 S4 -","4","1","","Vincent, Adrien; Deschamps, Damien; Martzel, Thomas; Lohier, Jean-François; Richards, Christopher J.; Gaumont, Annie-Claude; Perrio, Stéphane","Enantiomerically Pure [2.2]Paracyclophane-4-thiol: A Planar Chiral Sulfur-Based Building Block Readily Available by Resolution with an Amino Acid Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3961","3966","10.1021/acs.joc.6b00560","","","0.71073","MoKα","","0.0665","0.0582","","","0.1472","0.1558","","","","","","1.087","","","","has coordinates","235239","2020-10-21","18:00:00",""
"4036797","11.024","0.001","11.6615","0.001","19.3697","0.0016","90","","90","","90","","2490.1","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 N O3 S -","- C30 H29 N O3 S -","- C120 H116 N4 O12 S4 -","4","1","","Vincent, Adrien; Deschamps, Damien; Martzel, Thomas; Lohier, Jean-François; Richards, Christopher J.; Gaumont, Annie-Claude; Perrio, Stéphane","Enantiomerically Pure [2.2]Paracyclophane-4-thiol: A Planar Chiral Sulfur-Based Building Block Readily Available by Resolution with an Amino Acid Chiral Auxiliary.","The Journal of organic chemistry","2016","81","9","3961","3966","10.1021/acs.joc.6b00560","","","0.71073","MoKα","","0.0404","0.0324","","","0.0785","0.0825","","","","","","1.057","","","","has coordinates","235241","2020-10-21","18:00:00",""
"4036803","7.0168","0.0016","11.99","0.003","22.723","0.006","90","","90","","90","","1911.7","0.8","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 Si -","- C17 H29 N O4 Si -","- C68 H116 N4 O16 Si4 -","4","1","","Kamimura, Akio; Moriyama, Takaaki; Ito, Yuji; Kawamoto, Takuji; Uno, Hidemitsu","Asymmetric Synthesis of Bicyclic Nitrocyclopropanes from Primary Nitro Compounds and Stereoselective Formation of Tetrahydro-2H-cyclopenta[b]furans via Ring Expansion/Cyclization Reaction.","The Journal of organic chemistry","2016","81","11","4664","4681","10.1021/acs.joc.6b00566","","","1.54187","CuKα","","0.1381","0.088","","","0.206","0.2481","","","","","","1.039","","","","has coordinates","235247","2020-10-21","18:00:00",""
"4036816","8.9516","0.0007","10.8253","0.0008","27.1895","0.0019","90","","90","","90","","2634.8","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C128 H112 O32 -","8","2","","Bose, Sritama; Yang, Jun; Yu, Zhi-Xiang","Formal Synthesis of Gracilamine Using Rh(I)-Catalyzed [3 + 2 + 1] Cycloaddition of 1-Yne-Vinylcyclopropanes and CO.","The Journal of organic chemistry","2016","81","15","6757","6765","10.1021/acs.joc.6b00608","","","0.71073","MoKα","","0.0853","0.0465","","","0.079","0.0918","","","","","","0.991","","","","has coordinates","235271","2020-10-21","18:00:00",""
"4036820","7.2339","0.0002","13.8782","0.0005","17.753","0.0006","90","","90","","90","","1782.29","0.1","105","","105","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C88 H124 N4 O8 -","4","1","","Chattopadhyay, Amit Kumar; Berger, Gilles; Hanessian, Stephen","Strategies toward the Total Synthesis of Calyciphylline B-type Alkaloids: A Computational Perspective Aided by DFT Analysis.","The Journal of organic chemistry","2016","81","12","5074","5086","10.1021/acs.joc.6b00638","","x-ray","1.34139","GaKα","","0.0377","0.0375","","","0.0968","0.097","","","","","","1.181","","","","has coordinates","235281","2020-10-21","18:00:00",""
"4036821","5.5592","0.0014","11.717","0.003","26.483","0.007","90","","90","","90","","1725","0.8","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O -","- C21 H29 N O -","- C84 H116 N4 O4 -","4","1","","Chattopadhyay, Amit Kumar; Berger, Gilles; Hanessian, Stephen","Strategies toward the Total Synthesis of Calyciphylline B-type Alkaloids: A Computational Perspective Aided by DFT Analysis.","The Journal of organic chemistry","2016","81","12","5074","5086","10.1021/acs.joc.6b00638","","x-ray","1.34139","GaKα","","0.1597","0.0688","","","0.1306","0.166","","","","","","0.993","","","","has coordinates","235283","2020-10-21","18:00:00",""
"4036822","10.8965","0.0005","11.6817","0.0006","16.411","0.0008","90","","90","","90","","2088.95","0.18","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 I N O -","- C23 H36 I N O -","- C92 H144 I4 N4 O4 -","4","1","","Chattopadhyay, Amit Kumar; Berger, Gilles; Hanessian, Stephen","Strategies toward the Total Synthesis of Calyciphylline B-type Alkaloids: A Computational Perspective Aided by DFT Analysis.","The Journal of organic chemistry","2016","81","12","5074","5086","10.1021/acs.joc.6b00638","","x-ray","1.54178","CuKα","","0.0188","0.0188","","","0.0505","0.0505","","","","","","1.106","","","","has coordinates","235285","2020-10-21","18:00:00",""
"4036842","10.7362","0.0016","16.569","0.003","20.68","0.003","90","","90","","90","","3678.7","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R*)-N-methyl-2-((S*)-3-methyl-2-oxo-5,5-diphenyloxazolidin-4-yl)propanamide","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C160 H176 N16 O24 -","8","2","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Uracils with Aromatic Ketones: Synthesis of 6-Substituted and cis-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils and Their Transformation to 6-Substituted 1,3-Dimethyluracils, trans-5,6-Disubstituted 5,6-Dihydro-1,3-dimethyluracils, and 4,5,5-Trisubstituted 3-Methyloxazolizin-2-ones.","The Journal of organic chemistry","2016","81","12","5101","5119","10.1021/acs.joc.6b00670","","","0.71075","MoKα","","0.1908","0.0382","","","0.0419","0.0542","","","","","","0.717","","","","has coordinates","235322","2020-10-21","18:00:00",""
"4036874","9.58019","0.00017","13.2112","0.0002","19.0309","0.0004","90","","90","","90","","2408.66","0.08","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N3 O -","- C31 H23 N3 O -","- C124 H92 N12 O4 -","4","1","","Tanimoto, Hiroki; Shitaoka, Takashi; Yokoyama, Keiichi; Morimoto, Tsumoru; Nishiyama, Yasuhiro; Kakiuchi, Kiyomi","Formal [3+2] Cycloaddition of Nitrosoallenes with Carbonyl and Nitrile Compounds to Form Functional Cyclic Nitrones.","The Journal of organic chemistry","2016","81","19","8722","8735","10.1021/acs.joc.6b00758","","","0.71075","MoKα","","0.0306","0.0289","","","0.0701","0.0709","","","","","","1.047","","","","has coordinates","235355","2020-10-21","18:00:00",""
"4036883","8.05049","0.00008","11.4387","0.00012","12.60616","0.00016","90","","90","","90","","1160.87","0.02","99.9","0.5","99.9","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Wang, Jian; Tong, Rongbiao","Total Synthesis of Purported Cephalosporolides H and I, Penisporolide B, and Their Stereoisomers.","The Journal of organic chemistry","2016","81","10","4325","4339","10.1021/acs.joc.6b00788","","x-ray","1.54184","CuKα","","0.0252","0.024","","","0.061","0.0622","","","","","","1.002","","","","has coordinates","235363","2020-10-21","18:00:00",""
"4036896","5.892","0.005","11.809","0.01","20.667","0.018","90","","90","","90","","1438","2","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl F3 -","- C16 H12 Cl F3 -","- C64 H48 Cl4 F12 -","4","1","","Zhao, Yilong; Zhou, Yuhan; Liu, Juan; Yang, Dongmei; Tao, Liang; Liu, Yang; Dong, Xiaoliang; Liu, Jianhui; Qu, Jingping","Synthesis of (Z)-α-Trifluoromethyl Alkenyl Triflate: A Scaffold for Diverse Trifluoromethylated Species.","The Journal of organic chemistry","2016","81","11","4797","4806","10.1021/acs.joc.6b00855","","","0.71073","MoKα","","0.095","0.0549","","","0.1386","0.1527","","","","","","1.002","","","","has coordinates","235379","2020-10-21","18:00:00",""
"4036906","7.3684","0.0003","9.7503","0.0004","22.0856","0.0009","90","","90","","90","","1586.72","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Clark, Andrew J.; Curran, Dennis P.; Fox, David J.; Ghelfi, Franco; Guy, Collette S.; Hay, Benjamin; James, Natalie; Phillips, Jessica M.; Roncaglia, Fabrizio; Sellars, Philip B.; Wilson, Paul; Zhang, Hanmo","Axially Chiral Enamides: Substituent Effects, Rotation Barriers, and Implications for their Cyclization Reactions.","The Journal of organic chemistry","2016","81","13","5547","5565","10.1021/acs.joc.6b00889","","","0.71073","MoKα","","0.0767","0.0548","","","0.1112","0.1169","","","","","","0.916","","","","has coordinates","235394","2020-10-21","18:00:00",""
"4036913","8.4382","0.0013","10.6416","0.0017","23.583","0.004","90","","90","","90","","2117.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O6 S -","- C22 H30 O6 S -","- C88 H120 O24 S4 -","4","1","","Saha, Mrinmoy; Li, Xin; Collett, Nathan D.; Carter, Rich G.","Unified Synthesis of 10-Oxygenated Lycopodium Alkaloids: Impact of C10-Stereochemistry on Reactivity.","The Journal of organic chemistry","2016","81","14","5963","5980","10.1021/acs.joc.6b00900","","","0.71073","MoKα","","0.0303","0.0288","","","0.0722","0.0732","","","","","","1.04","","","","has coordinates","235405","2020-10-21","18:00:00",""
"4036924","6.788","0.0001","13.1767","0.0003","25.9973","0.0005","90","","90","","90","","2325.29","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,3aS,9bR)-diethyl 3-(2-methoxyphenyl)-8-nitro-4-oxo-1,3a,4,9b- tetrahydrochromeno[4,3-b]pyrrole-2,2(3H)-dicarboxylate","","- C24 H24 N2 O9 -","- C24 H24 N2 O9 -","- C96 H96 N8 O36 -","4","1","","Kowalczyk, Dorota; Albrecht, Łukasz","Organocatalytic Doubly Annulative Approach to 3,4-Dihydrocoumarins Bearing a Fused Pyrrolidine Scaffold.","The Journal of organic chemistry","2016","81","15","6800","6807","10.1021/acs.joc.6b00975","","","1.54178","CuKα","","0.0281","0.0281","","","0.0734","0.0734","","","","","","1.095","","","","has coordinates","235424","2020-10-21","18:00:00",""
"4036930","10.211","0.0018","24.559","0.004","25.563","0.005","90","","90","","90","","6410","2","93","","93","","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","H2N-Trp-Trp-(Leu-Leu-Ac5)2-OMe.AcOEt","","- C63 H94 N10 O11 -","- C63 H94 N10 O11 -","- C252 H376 N40 O44 -","4","1","","Ueda, Atsushi; Umeno, Tomohiro; Doi, Mitsunobu; Akagawa, Kengo; Kudo, Kazuaki; Tanaka, Masakazu","Helical-Peptide-Catalyzed Enantioselective Michael Addition Reactions and Their Mechanistic Insights.","The Journal of organic chemistry","2016","81","15","6343","6356","10.1021/acs.joc.6b00982","","","0.71073","MoKα","","0.0894","0.0737","","","0.1602","0.1696","","","","","","1.115","","","","has coordinates","235432","2020-10-21","18:00:00",""
"4036950","5.882","0.0003","14.7971","0.0009","17.7539","0.0013","90","","90","","90","","1545.24","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-chloro-3-(2-chlorophenyl)-4-(nitromethyl)chroman-2-ol","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C64 H52 Cl8 N4 O16 -","4","1","","Donadío, Lucía Gandolfi; Galetti, Mariana A.; Giorgi, Gianluca; Rasparini, Marcello; Comin, Maria J.","Anti-Selective Organocatalytic Michael Addition between Phenylacetaldehyde and Nitrostyrene.","The Journal of organic chemistry","2016","81","17","7952","7957","10.1021/acs.joc.6b01061","","","0.71073","MoKα","","0.1247","0.0372","","","0.0456","0.0557","","","","","","0.712","","","","has coordinates","235469","2020-10-21","18:00:00",""
"4036952","7.9328","0.0003","14.3352","0.0005","16.9365","0.0007","90","","90","","90","","1925.99","0.13","103","2","102.74","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C88 H108 N4 O16 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0266","0.0261","","","0.066","0.0663","","","","","","1.073","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036955","8.0354","0.0006","13.7812","0.001","18.9887","0.0014","90","","90","","90","","2102.8","0.3","101","2","100.96","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C92 H116 N4 O20 -","4","1","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0287","0.0282","","","0.0708","0.0712","","","","","","1.07","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036956","6.2306","0.0002","15.6867","0.0005","41.3174","0.0013","90","","90","","90","","4038.3","0.2","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C184 H248 N8 O24 -","8","2","","Clay, Anthony; Vallavoju, Nandini; Krishnan, Retheesh; Ugrinov, Angel; Sivaguru, Jayaraman","Metal-Free Visible Light-Mediated Photocatalysis: Controlling Intramolecular [2 + 2] Photocycloaddition of Enones through Axial Chirality.","The Journal of organic chemistry","2016","81","16","7191","7200","10.1021/acs.joc.6b01066","","","1.54178","CuKα","","0.0276","0.0265","","","0.0656","0.0663","","","","","","1.045","","","","has coordinates","235471","2020-10-21","18:00:00",""
"4036967","10.3261","0.0008","15.0211","0.0008","16.2026","0.0009","90","","90","","90","","2513.2","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 N4 O2 -","- C32 H26 N4 O2 -","- C128 H104 N16 O8 -","4","1","","Sharada, Duddu S.; Shinde, Anand H.; Patel, Srilaxmi M.; Vidyacharan, Shinde","Scaffold Diversity through a Branching Double-Annulation Cascade Strategy: Iminium-Induced One-Pot Synthesis of Diverse Fused Tetrahydroisoquinoline Scaffolds.","The Journal of organic chemistry","2016","81","15","6463","6471","10.1021/acs.joc.6b01096","","","1.54184","CuKα","","0.1106","0.0668","","","0.1464","0.1876","","","","","","1.0263","","","","has coordinates","235488","2020-10-21","18:00:00",""
"4036968","7.941","0.0004","11.929","0.0005","13.9233","0.0007","90","","90","","90","","1318.93","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C60 H56 N8 O8 S4 -","4","1","","Sharada, Duddu S.; Shinde, Anand H.; Patel, Srilaxmi M.; Vidyacharan, Shinde","Scaffold Diversity through a Branching Double-Annulation Cascade Strategy: Iminium-Induced One-Pot Synthesis of Diverse Fused Tetrahydroisoquinoline Scaffolds.","The Journal of organic chemistry","2016","81","15","6463","6471","10.1021/acs.joc.6b01096","","","1.54184","CuKα","","0.0627","0.0609","","","0.1603","0.1628","","","","","","1.061","","","","has coordinates","235489","2020-10-21","18:00:00",""
"4036975","14.6607","0.0002","15.61716","0.00019","31.711","0.0004","90","","90","","90","","7260.5","0.16","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 N2 O5 S Si -","- C36 H52 N2 O5 S Si -","- C288 H416 N16 O40 S8 Si8 -","8","2","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher Paul, Ai M.; Roberts, M.; Thomson, James E.","Asymmetric Syntheses of (-)-ADMJ and (+)-ADANJ: 2-Deoxy-2-amino Analogues of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin.","The Journal of organic chemistry","2016","81","15","6481","6495","10.1021/acs.joc.6b01107","","","1.5418","CuKα","","0.0367","0.0351","","0.0916","0.09","0.0916","","","","","","1.0003","","","","has coordinates","235498","2020-10-21","18:00:00",""
"4036978","7.4228","0.0019","11.744","0.003","21.248","0.005","90","","90","","90","","1852.3","0.8","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N5 O6 -","- C18.001 H21 N5 O6 -","- C72.004 H84 N20 O24 -","4","1","","García-Arriaga, Marilyn; Hobley, Gerard; Rivera, José M","Structural Studies of Supramolecular G-Quadruplexes Formed from 8-Aryl-2'-deoxyguanosine Derivatives.","The Journal of organic chemistry","2016","81","14","6026","6035","10.1021/acs.joc.6b01113","","","0.71073","MoKα","","0.1814","0.0915","","","0.122","0.1398","","","","","","1.163","","","","has coordinates,has disorder","235504","2020-10-21","18:00:00",""
"4036984","8.2348","0.0009","16.2497","0.0018","18.833","0.002","90","","90","","90","","2520.1","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F3 N3 O7 S -","- C22 H26 F3 N3 O7 S -","- C88 H104 F12 N12 O28 S4 -","4","1","","Bosnidou, Alexandra E.; Millán, Alba; Ceballos, Javier; Martínez, Claudio; Muñiz, Kilian","Iodine(III)-Mediated Selective Intermolecular C-H Amination for the Chemical Diversification of Tryptamines.","The Journal of organic chemistry","2016","81","15","6496","6504","10.1021/acs.joc.6b01118","","","0.71073","MoKα","","0.0637","0.0437","","","0.1001","0.1082","","","","","","1.055","","","","has coordinates,has disorder","235516","2020-10-21","18:00:00",""
"4037003","8.3265","0.0002","10.1974","0.0003","38.2435","0.0016","90","","90","","90","","3247.2","0.18","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N3 O7 S -","- C30 H41 N3 O7 S -","- C120 H164 N12 O28 S4 -","4","1","","Huang, Hong-Xiu; Wang, Hui-Jing; Tan, Ling; Wang, Shu-Qing; Tang, Pei; Song, Hao; Liu, Xiao-Yu; Zhang, Dan; Qin, Yong","Asymmetric Michael Addition Induced by (R)-tert-Butanesulfinamide and Syntheses of Chiral Pyrazolidinone Derivatives.","The Journal of organic chemistry","2016","81","21","10506","10516","10.1021/acs.joc.6b01237","","x-ray","0.71073","MoKα","","0.0897","0.0667","","","0.1858","0.2072","","","","","","1.041","","","","has coordinates,has disorder","235546","2020-10-21","18:00:00",""
"4037013","7.446","0.0013","11.786","0.002","21.591","0.004","90","","90","","90","","1894.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl N4 O3 -","- C19 H23 Cl N4 O3 -","- C76 H92 Cl4 N16 O12 -","4","1","","Chourasiya, Sumit S.; Kathuria, Deepika; Nikam, Sampada S.; Ramakrishnan, Ashok; Khullar, Sadhika; Mandal, Sanjay K.; Chakraborti, Asit K.; Bharatam, Prasad V.","Azine-Hydrazone Tautomerism of Guanylhydrazones: Evidence for the Preference Toward the Azine Tautomer.","The Journal of organic chemistry","2016","81","17","7574","7583","10.1021/acs.joc.6b01258","","","0.71073","MoKα","","0.0417","0.037","","","0.0981","0.1016","","","","","","1.041","","","","has coordinates","235560","2020-10-21","18:00:00",""
"4037018","7.686","0.0015","13.076","0.003","28.097","0.006","90","","90","","90","","2823.8","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O4 -","- C30 H52 O4 -","- C120 H208 O16 -","4","1","","Shen, Renzeng; Cao, Xin; Laval, Stephane; Sun, Jiansong; Yu, Biao","Synthesis of Ocotillol-Type Ginsenosides.","The Journal of organic chemistry","2016","81","21","10279","10294","10.1021/acs.joc.6b01265","","","1.54178","CuKα","","0.0439","0.0428","","","0.1173","0.1187","","","","","","1.047","","","","has coordinates","235568","2020-10-21","18:00:00",""
"4037019","12.9119","0.0015","13.725","0.0017","16.0531","0.0019","90","","90","","90","","2844.9","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O5 -","- C30 H52 O5 -","- C120 H208 O20 -","4","1","","Shen, Renzeng; Cao, Xin; Laval, Stephane; Sun, Jiansong; Yu, Biao","Synthesis of Ocotillol-Type Ginsenosides.","The Journal of organic chemistry","2016","81","21","10279","10294","10.1021/acs.joc.6b01265","","","0.71073","MoKα","","0.0632","0.0518","","","0.1267","0.1348","","","","","","1.033","","","","has coordinates","235569","2020-10-21","18:00:00",""
"4037022","9.24482","0.00004","13.77957","0.00005","18.20928","0.00009","90","","90","","90","","2319.67","0.017","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 N4 O4 -","- C23 H32 N4 O4 -","- C92 H128 N16 O16 -","4","1","","Pancholi, Alpa K.; Geden, Joanna V.; Clarkson, Guy J.; Shipman, Michael","Asymmetric Synthesis of 2-Substituted Azetidin-3-ones via Metalated SAMP/RAMP Hydrazones.","The Journal of organic chemistry","2016","81","17","7984","7992","10.1021/acs.joc.6b01284","","x-ray","1.54184","CuKα","","0.0287","0.0283","","","0.0723","0.0727","","","","","","1.039","","","","has coordinates","235575","2020-10-21","18:00:00",""
"4037043","6.4205","0.0003","11.7811","0.0006","14.1339","0.0006","90","","90","","90","","1069.1","0.09","123","0.1","123","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Dobler, Daniel; Reiser, Oliver","Synthesis of 6-Substituted 2-Pyrones Starting from Renewable Resources: Total Synthesis of Sibirinone, (E)-6-(Pent-1-en-1-yl)-2H-pyran-2-one, and (E)-6-(Hept-1-en-1-yl)-2H-pyran-2-one.","The Journal of organic chemistry","2016","81","21","10357","10365","10.1021/acs.joc.6b01339","","x-ray","1.54184","CuKα","","0.0335","0.0305","","","0.0767","0.0791","","","","","","1.054","","","","has coordinates","235598","2020-10-21","18:00:00",""
"4037053","12.3522","0.0003","12.7928","0.0004","13.7288","0.0005","90","","90","","90","","2169.41","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Psychrophilin E","N-(2,10,16-trioxo-1,9,15-triazapentacyclo[17.6.1.03,8.011,15.020,25]hexacosa-3,5,7,19(26),20,22,24-heptaen-17-yl)acetamide","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","","Ngen, Sarah T. Y.; Kaur, Harveen; Hume, Paul A.; Furkert, Daniel P.; Brimble, Margaret A.","Synthesis of Psychrophilin E.","The Journal of organic chemistry","2016","81","17","7635","7643","10.1021/acs.joc.6b01369","","","0.71073","MoKα","","0.0815","0.0501","","","0.0955","0.1084","","","","","","0.98","","","","has coordinates","235606","2020-10-21","18:00:00",""
"4037054","5.9316","0.0003","16.4646","0.001","29.5614","0.0018","90","","90","","90","","2887","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 O3 P -","- C32 H39 O3 P -","- C128 H156 O12 P4 -","4","1","","Wang, Ji-Ping; Nie, Shao-Zhen; Zhou, Zhong-Yang; Ye, Jing-Jing; Wen, Jing-Hong; Zhao, Chang-Qiu","Preparation of Optically Pure Tertiary Phosphine Oxides via the Addition of P-Stereogenic Secondary Phosphine Oxide to Activated Alkenes.","The Journal of organic chemistry","2016","81","17","7644","7653","10.1021/acs.joc.6b01371","","","1.54184","CuKα","","0.1244","0.0628","","","0.1208","0.1419","","","","","","1.03","","","","has coordinates","235607","2020-10-21","18:00:00",""
"4037072","7.4284","0.0002","9.2229","0.0002","22.4749","0.0007","90","","90","","90","","1539.79","0.07","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0379","0.0342","","","0.0812","0.0838","","","","","","1.083","","","","has coordinates","235631","2020-10-21","18:00:00",""
"4037073","7.9409","0.0006","9.0559","0.0005","25.8657","0.0016","90","","90","","90","","1860.1","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0439","0.0378","","","0.0858","0.0895","","","","","","1.046","","","","has coordinates","235632","2020-10-21","18:00:00",""
"4037074","7.0231","0.0004","7.1476","0.0003","29.3182","0.0016","90","","90","","90","","1471.72","0.13","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 -","- C18 H18 N2 -","- C72 H72 N8 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","0.71073","MoKα","","0.0397","0.0364","","","0.0853","0.0874","","","","","","1.035","","","","has coordinates","235634","2020-10-21","18:00:00",""
"4037077","7.0779","0.0002","9.264","0.0003","26.1004","0.0007","90","","90","","90","","1711.39","0.09","150","","150","","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Benmekhbi, Lotfi; Louafi, Fadila; Roisnel, Thierry; Hurvois, Jean-Pierre","Synthesis of Tetrahydroisoquinoline Alkaloids and Related Compounds through the Alkylation of Anodically Prepared α-Amino Nitriles.","The Journal of organic chemistry","2016","81","15","6721","6739","10.1021/acs.joc.6b01419","","x-ray","1.54184","CuKα","","0.0268","0.0262","","","0.0672","0.0675","","","","","","1.038","","","","has coordinates,has disorder","235638","2020-10-21","18:00:00",""
"4037084","10.137","0.002","10.176","0.002","40.85","0.008","90","","90","","90","","4213.8","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N O3 Si -","- C19 H31 N O3 Si -","- C152 H248 N8 O24 Si8 -","8","2","","Meng, Lingxing","Total Synthesis of (-)-Carinatine A and (+)-Lycopladine A.","The Journal of organic chemistry","2016","81","17","7784","7789","10.1021/acs.joc.6b01435","","","1.54178","CuKα","","0.0388","0.0368","","","0.1012","0.1032","","","","","","1.041","","","","has coordinates","235648","2020-10-21","18:00:00",""
"4037112","12.068","0.005","13.052","0.005","26.055","0.005","90","0.005","90","0.005","90","0.005","4104","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F N2 O2 S2 -","- C22 H19 F N2 O2 S2 -","- C176 H152 F8 N16 O16 S16 -","8","2","","Bhattacharyya, Aditya; Kavitha, C. V.; Ghorai, Manas K.","Stereospecific Synthesis of 2-Iminothiazolidines via Domino Ring-Opening Cyclization of Activated Aziridines with Aryl- and Alkyl Isothiocyanates.","The Journal of organic chemistry","2016","81","15","6433","6443","10.1021/acs.joc.6b01551","","","0.71073","MoKα","","0.0974","0.0723","","","0.1593","0.1712","","","","","","1.039","","","","has coordinates","235676","2020-10-21","18:00:00",""
"4037125","9.2268","0.0007","12.1805","0.0009","19.0861","0.0015","90","","90","","90","","2145","0.3","147","2","147","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 B Br F2 N4 -","- C24 H16 B Br F2 N4 -","- C96 H64 B4 Br4 F8 N16 -","4","1","","Liew, Sean K.; Holownia, Aleksandra; Tilley, Andrew J.; Carrera, Elisa I.; Seferos, Dwight S.; Yudin, Andrei K.","A Study of Boratriazaroles: An Underdeveloped Class of Heterocycles.","The Journal of organic chemistry","2016","81","21","10444","10453","10.1021/acs.joc.6b01565","","","0.71073","MoKα","","0.04","0.0278","","","0.0524","0.0554","","","","","","1.019","","","","has coordinates","235690","2020-10-21","18:00:00",""
"4037130","6.9029","0.0003","9.9051","0.0005","21.6344","0.0011","90","","90","","90","","1479.23","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 F3 N O5 -","- C12 H18 F3 N O5 -","- C48 H72 F12 N4 O20 -","4","1","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.1254","0.0863","","","0.2209","0.2401","","","","","","1.52","","","","has coordinates,has disorder","235694","2020-10-21","18:00:00",""
"4037131","9.7482","0.0014","22.448","0.003","7.0961","0.0012","90","","90","","90","","1552.8","0.4","97","2","97","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 F3 N O5 -","- C13 H20 F3 N O5 -","- C52 H80 F12 N4 O20 -","4","1","","Salih, Nabaz; Adams, Harry; Jackson, Richard F. W.","Synthesis of ω-Oxo Amino Acids and trans-5-Substituted Proline Derivatives Using Cross-Metathesis of Unsaturated Amino Acids.","The Journal of organic chemistry","2016","81","18","8386","8393","10.1021/acs.joc.6b01571","","","0.71073","MoKα","","0.1214","0.0882","","","0.2271","0.2506","","","","","","1.045","","","","has coordinates","235694","2020-10-21","18:00:00",""
"4037149","7.7978","0.0018","12.383","0.003","15.345","0.004","90","","90","","90","","1481.7","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Dorel, Ruth; Echavarren, Antonio M.","Ready Access to the Echinopines Skeleton via Gold(I)-Catalyzed Alkoxycyclizations of Enynes.","The Journal of organic chemistry","2016","81","18","8444","8454","10.1021/acs.joc.6b01607","","","0.7107","MoKα","","0.0319","0.0303","","","0.0832","0.0846","","","","","","1.135","","","","has coordinates","235719","2020-10-21","18:00:00",""
"4037153","7.7399","0.0002","11.9828","0.0003","15.8596","0.0004","90","","90","","90","","1470.91","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Pušavec Kirar, Eva; Drev, Miha; Mirnik, Jona; Grošelj, Uroš; Golobič, Amalija; Dahmann, Georg; Požgan, Franc; Štefane, Bogdan; Svete, Jurij","Synthesis of 3D-Rich Heterocycles: Hexahydropyrazolo[1,5-a]pyridin-2(1H)-ones and Octahydro-2H-2a,2a<sup>1</sup>-diazacyclopenta[cd]inden-2-ones.","The Journal of organic chemistry","2016","81","19","8920","8933","10.1021/acs.joc.6b01608","","","1.54184","CuKα","","0.0351","0.0334","","","0.0891","0.0906","","","","","","1.068","","","","has coordinates","235723","2020-10-21","18:00:00",""
"4037157","10.5786","0.001","17.4231","0.0017","22.099","0.002","90","","90","","90","","4073.1","0.7","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H51 Cl N2 Pd -","- C51 H51 Cl N2 Pd -","- C204 H204 Cl4 N8 Pd4 -","4","1","","Kuriyama, Masami; Hamaguchi, Norihisa; Yano, Gemba; Tsukuda, Kotaro; Sato, Kanako; Onomura, Osamu","Deuterodechlorination of Aryl/Heteroaryl Chlorides Catalyzed by a Palladium/Unsymmetrical NHC System.","The Journal of organic chemistry","2016","81","19","8934","8946","10.1021/acs.joc.6b01609","","","0.71075","MoKα","","0.03","0.0271","","","0.0607","0.0671","","","","","","1.077","","","","has coordinates","235731","2020-10-21","18:00:00",""
"4037159","9.586","0.004","10.266","0.004","19.842","0.008","90","","90","","90","","1952.6","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Br N O4 -","- C19 H24 Br N O4 -","- C76 H96 Br4 N4 O16 -","4","1","","Liu, Ye; Ren, Wei-Min; He, Ke-Ke; Zhang, Wen-Zhen; Li, Wen-Bing; Wang, Meng; Lu, Xiao-Bing","CO<sub>2</sub>-Mediated Formation of Chiral Carbamates from meso-Epoxides via Polycarbonate Intermediates.","The Journal of organic chemistry","2016","81","19","8959","8966","10.1021/acs.joc.6b01616","","","0.71073","MoKα","","0.0984","0.0438","","","0.0982","0.1171","","","","","","1.007","","","","has coordinates","235733","2020-10-21","18:00:00",""
"4037166","8.62184","0.00014","15.212","0.0003","16.4772","0.0002","90","","90","","90","","2161.07","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O5 S2 -","- C23 H19 N O5 S2 -","- C92 H76 N4 O20 S8 -","4","1","","Jiao, Lihui; Bu, Liwei; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Catalytic Asymmetric Conjugate Addition and Sulfenylation of Diarylthiazolidin-2,4-diones.","The Journal of organic chemistry","2016","81","20","9620","9629","10.1021/acs.joc.6b01637","","x-ray","1.54184","CuKα","","0.0381","0.0348","","","0.0886","0.0913","","","","","","1.033","","","","has coordinates","235744","2020-10-21","18:00:00",""
"4037167","8.6723","0.0002","16.0081","0.0004","16.3709","0.0003","90","","90","","90","","2272.72","0.09","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O5 S -","- C24 H20 N2 O5 S -","- C96 H80 N8 O20 S4 -","4","1","","Jiao, Lihui; Bu, Liwei; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Catalytic Asymmetric Conjugate Addition and Sulfenylation of Diarylthiazolidin-2,4-diones.","The Journal of organic chemistry","2016","81","20","9620","9629","10.1021/acs.joc.6b01637","","","1.54184","CuKα","","0.0447","0.0378","","","0.0914","0.0958","","","","","","1.017","","","","has coordinates","235745","2020-10-21","18:00:00",""
"4037189","12.093","0.0003","21.491","0.0004","38.198","0.001","90","","90","","90","","9927.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (S/R)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","","1.5418","CuKα","","0.1349","0.0692","","","0.1453","0.1787","","","","","","1.003","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037190","12.1588","0.0002","21.3462","0.0006","38.1695","0.0005","90","","90","","90","","9906.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (R/R)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","","1.54184","CuKα","","0.1991","0.1704","","","0.4484","0.4841","","","","","","1.846","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037191","12.159","0.0002","21.391","0.0004","38.188","0.0004","90","","90","","90","","9932.4","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (R/S)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","x-ray","1.54184","CuKα","","0.1308","0.0956","","","0.2498","0.28","","","","","","1.047","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037192","12.284","","21.276","","38.207","","90","","90","","90","","9985.57","","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1:1[α/α-Nα-Bn-hydrazino] ester (S/S)","","- C22 H35 N3 O5 -","- C22 H35 N3 O5 -","- C352 H560 N48 O80 -","16","4","","Romero, Eugénie; Moussodia, Ralph-Olivier; Kriznik, Alexandre; Wenger, Emmanuel; Acherar, Samir; Jamart-Grégoire, Brigitte","Spontaneous Self-Assembly of Fully Protected Ester 1:1 [α/α-N<sup>α</sup>-Bn-hydrazino] Pseudodipeptides into a Twisted Parallel β-Sheet in the Crystal State.","The Journal of organic chemistry","2016","81","19","9037","9045","10.1021/acs.joc.6b01680","","","0.71073","MoKα","","0.1324","0.1214","","","0.3325","0.355","","","","","","1.534","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037198","8.5662","0.0004","10.7642","0.0006","14.3417","0.0007","90","","90","","90","","1322.42","0.12","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Xia, Changkun; White, Andrew J. P.; Hii, King Kuok Mimi","Synthesis of Isoindolinones by Pd-Catalyzed Coupling between N-Methoxybenzamide and Styrene Derivatives.","The Journal of organic chemistry","2016","81","17","7931","7938","10.1021/acs.joc.6b01696","","","0.71073","MoKα","","0.0445","0.0368","","","0.0735","0.0785","","","","","","1.084","","","","has coordinates","235787","2020-10-21","18:00:00",""
"4037200","8.7384","0.0005","12.1279","0.0007","20.746","0.0011","90","","90","","90","","2198.6","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Br N O3 -","- C24 H26 Br N O3 -","- C96 H104 Br4 N4 O12 -","4","1","","Yang, Yang; Ma, Chaoqun; Thumar, Nilesh J.; Hu, Wenhao","Pd(II)/β-ICD-Cocatalyzed Asymmetric Route to Oxindole Scaffold via Cascade Reaction of Diazoacetamides and MBH-Carbonates.","The Journal of organic chemistry","2016","81","18","8537","8543","10.1021/acs.joc.6b01703","","","0.71073","MoKα","","0.0525","0.0359","","","0.0678","0.0745","","","","","","1.021","","","","has coordinates","235790","2020-10-21","18:00:00",""
"4037209","5.8776","0.0009","16.487","0.003","21.673","0.004","90","","90","0.003","90","","2100.2","0.6","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Fe N2 O4 S -","- C23 H22 Fe N2 O4 S -","- C92 H88 Fe4 N8 O16 S4 -","4","1","","Matsuda, Yukiko; Koizumi, Akihiro; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Ligand-Controlled Stereodivergent, Enantioselective Conjugate Addition of 2-Oxazoline- and 2-Thiazoline-4-carboxylate to Nitroalkene Catalyzed by Chiral Copper Complexes.","The Journal of organic chemistry","2016","81","17","7939","7944","10.1021/acs.joc.6b01722","","","0.71075","MoKα","","0.05","0.0457","","","0.0977","0.1009","","","","","","1.042","","","","has coordinates,has disorder","235805","2020-10-21","18:00:00",""
"4037227","6.0753","0.0002","8.4967","0.0004","25.3797","0.0012","90","","90","","90","","1310.1","0.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br Cl N2 -","- C13 H12 Br Cl N2 -","- C52 H48 Br4 Cl4 N8 -","4","1","","Abudu Rexit, Abulikemu; Luo, Shiwei; Mailikezati, Maihemuti","Chiral Phosphoric Acid-Catalyzed Enantioselective Reductive Amination of 2-Pyridyl Ketones: Construction of Structurally Chiral Pyridine-Based Ligands.","The Journal of organic chemistry","2016","81","22","11384","11388","10.1021/acs.joc.6b01772","","","0.71073","MoKα","","0.0617","0.0375","","","0.0651","0.0738","","","","","","1.064","","","","has coordinates","235829","2020-10-21","18:00:00",""
"4037231","11.133","0.003","12.927","0.003","25.645","0.006","90","","90","","90","","3690.7","1.6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 N O7 S -","- C41 H43 N O7 S -","- C164 H172 N4 O28 S4 -","4","1","","Harit, Vimal Kant; Ramesh, Namakkal G.","A Chiron Approach to Diversity-Oriented Synthesis of Aminocyclitols, (-)-Conduramine F-4 and Polyhydroxyaminoazepanes from a Common Precursor.","The Journal of organic chemistry","2016","81","23","11574","11586","10.1021/acs.joc.6b01790","","","0.71073","MoKα","","0.1134","0.0636","","","0.091","0.1032","","","","","","1.029","","","","has coordinates","235836","2020-10-21","18:00:00",""
"4037233","7.1423","0.0003","10.4505","0.0005","25.2828","0.0011","90","","90","","90","","1887.12","0.15","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C76 H96 N8 O24 -","4","1","","Kassir, Ahmad F.; Ragab, Sherif S.; Nguyen, Thao A. M.; Charnay-Pouget, Florence; Guillot, Régis; Scherrmann, Marie-Christine; Boddaert, Thomas; Aitken, David J.","Synthetic Access to All Four Stereoisomers of Oxetin.","The Journal of organic chemistry","2016","81","20","9983","9991","10.1021/acs.joc.6b01795","","x-ray","0.71073","MoKα","","0.0392","0.0347","","","0.0811","0.0832","","","","","","1.056","","","","has coordinates","235839","2020-10-21","18:00:00",""
"4037284","19.2424","0.0006","19.606","0.0007","50.4378","0.0016","90","","90","","90","","19028.5","1.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C86 H96 N8 O24.21 P2 -","- C86 H96 N8 O24.205 P2 -","- C688 H768 N64 O193.64 P16 -","8","2","","Jones, Bradley R.; Abrams, M. Leigh; Landis, Clark R.; May, Scott A.; Campbell, Alison N.; Martinelli, Joseph R.; Calvin, Joel R.","Scalable Synthesis of Enantiopure Bis-3,4-diazaphospholane Ligands for Asymmetric Catalysis.","The Journal of organic chemistry","2016","81","23","11965","11970","10.1021/acs.joc.6b01915","","x-ray","1.54178","CuKα","","0.1688","0.1501","","","0.4166","0.4728","","","","","","1.01","","","","has coordinates,has disorder","235891","2020-10-21","18:00:00",""
"4037293","5.7857","0.0004","10.2761","0.0006","22.0932","0.0013","90","","90","","90","","1313.54","0.14","297.1","","297.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F3 N O3 -","- C13 H14 F3 N O3 -","- C52 H56 F12 N4 O12 -","4","1","","Rulev, Alexander Yu; Romanov, Alexey R.; Kondrashov, Evgeniy V.; Ushakov, Igor A.; Vashchenko, Alexander V.; Muzalevskiy, Vasiliy M.; Nenajdenko, Valentine G.","Domino Assembly of Trifluoromethylated N,O-Heterocycles by the Reaction of Fluorinated α-Bromoenones with Amino Alcohols.","The Journal of organic chemistry","2016","81","20","10029","10034","10.1021/acs.joc.6b01927","","","0.71073","MoKα","","0.0475","0.0366","","","0.0825","0.0867","","","","","","1.075","","","","has coordinates","235902","2020-10-21","18:00:00",""
"4037295","10.545","0.002","12.431","0.003","19.567","0.004","90","","90","","90","","2564.9","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Br O3 Si -","- C29 H25 Br O3 Si -","- C116 H100 Br4 O12 Si4 -","4","1","","Liu, Hui-Li; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Organocatalytic Enantioselective Allylic Etherification of Morita-Baylis-Hillman Carbonates and Silanols.","The Journal of organic chemistry","2016","81","20","10035","10042","10.1021/acs.joc.6b01931","","","0.71073","MoKα","","0.0446","0.0311","","","0.0645","0.0695","","","","","","1.033","","","","has coordinates","235906","2020-10-21","18:00:00",""
"4037318","7.0162","0.0004","9.8847","0.0006","20.6163","0.0013","90","","90","","90","","1429.8","0.15","108","","108","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Tao, Qiaoqiao; Ma, Ke; Yang, Yanlong; Wang, Kai; Chen, Baosong; Huang, Ying; Han, Junjie; Bao, Li; Liu, Xiao-Bin; Yang, Zhuliang; Yin, Wen-Bing; Liu, Hongwei","Bioactive Sesquiterpenes from the Edible Mushroom Flammulina velutipes and Their Biosynthetic Pathway Confirmed by Genome Analysis and Chemical Evidence.","The Journal of organic chemistry","2016","81","20","9867","9877","10.1021/acs.joc.6b01971","","","1.5418","CuKα","","0.0416","0.0405","","","0.1033","0.1045","","","","","","1.072","","","","has coordinates","235943","2020-10-21","18:00:00",""
"4037331","9.9054","0.00009","16.3056","0.00013","17.66934","0.00016","90","","90","","90","","2853.84","0.04","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 Br Cl N O2 -","- C13 H17 Br Cl N O2 -","- C104 H136 Br8 Cl8 N8 O16 -","8","2","","Clarke, James; Bonney, Karl J.; Yaqoob, Muhammad; Solanki, Savade; Rzepa, Henry S.; White, Andrew J. P.; Millan, David S.; Braddock, D. Christopher","Epimeric Face-Selective Oxidations and Diastereodivergent Transannular Oxonium Ion Formation Fragmentations: Computational Modeling and Total Syntheses of 12-Epoxyobtusallene IV, 12-Epoxyobtusallene II, Obtusallene X, Marilzabicycloallene C, and Marilzabicycloallene D.","The Journal of organic chemistry","2016","81","20","9539","9552","10.1021/acs.joc.6b02008","","","1.54184","CuKα","","0.0363","0.031","","","0.0713","0.0746","","","","","","1.036","","","","has coordinates","235965","2020-10-21","18:00:00",""
"4037338","8.9615","0.0006","16.4652","0.0013","19.3782","0.0012","90","","90","","90","","2859.3","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Br N O3 -","- C36 H26 Br N O3 -","- C144 H104 Br4 N4 O12 -","4","1","","Xu, Jianfeng; Yuan, Shiru; Miao, Maozhong; Chen, Zhengkai","1-Hydroxybenzotriazole-Assisted, N-Heterocyclic Carbene Catalyzed β-Functionalization of Saturated Carboxylic Esters: Access to Spirooxindole Lactones.","The Journal of organic chemistry","2016","81","22","11454","11460","10.1021/acs.joc.6b02032","","","0.71073","MoKα","","0.0647","0.0393","","","0.0633","0.0717","","","","","","1.011","","","","has coordinates","235979","2020-10-21","18:00:00",""
"4037339","6.8459","0.0003","8.6718","0.0003","29.3079","0.0011","90","","90","","90","","1739.9","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N3 O5 -","- C19 H19 N3 O5 -","- C76 H76 N12 O20 -","4","1","","Dhurandhare, Vijay M.; Wen, Yuh-Sheng; Gawande, Sachin D.; Liao, Pin-Hsuan; Wang, Cheng-Chung","Synthesis of d-Galactosamine and d-Allosamine Derivatives via a Microwave-Assisted Preparation of 1,6-Anhydroglucosamine.","The Journal of organic chemistry","2016","81","22","11521","11528","10.1021/acs.joc.6b02038","","","0.71073","MoKα","","0.0421","0.0339","","","0.0709","0.0751","","","","","","1.043","","","","has coordinates","235981","2020-10-21","18:00:00",""
"4037340","9.4564","0.0002","11.1358","0.0002","20.344","0.0005","90","","90","","90","","2142.32","0.08","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 Cl3 N O5 Si2 -","- C14 H26 Cl3 N O5 Si2 -","- C56 H104 Cl12 N4 O20 Si8 -","4","1","","Dhurandhare, Vijay M.; Wen, Yuh-Sheng; Gawande, Sachin D.; Liao, Pin-Hsuan; Wang, Cheng-Chung","Synthesis of d-Galactosamine and d-Allosamine Derivatives via a Microwave-Assisted Preparation of 1,6-Anhydroglucosamine.","The Journal of organic chemistry","2016","81","22","11521","11528","10.1021/acs.joc.6b02038","","","0.71073","MoKα","","0.0254","0.0231","","","0.0524","0.0535","","","","","","1.026","","","","has coordinates","235983","2020-10-21","18:00:00",""
"4037343","7.7488","0.0002","11.5545","0.0003","13.9686","0.0004","90","","90","","90","","1250.66","0.06","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0361","0.0308","","0.0469","0.035","0.0336","","","","","","1.0627","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037345","8.7432","0.0005","12.2122","0.0007","12.7131","0.0008","90","","90","","90","","1357.42","0.14","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O6 -","- C14 H20 O6 -","- C56 H80 O24 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0399","0.0314","","0.0524","0.0339","0.0321","","","","","","1.0609","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037346","6.2741","0.0008","13.1986","0.0016","19.138","0.002","90","","90","","90","","1584.8","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 I O5 -","- C15 H21 I O5 -","- C60 H84 I4 O20 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","0.71073","MoKα","","0.0942","0.0603","","0.0628","0.0546","0.0541","","","","","","1.0854","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037348","7.6753","0.0006","9.7959","0.0007","23.2215","0.0017","90","","90","","90","","1745.9","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl O5 -","- C17 H25 Cl O5 -","- C68 H100 Cl4 O20 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0261","0.026","","0.0298","0.0298","0.0294","","","","","","1.0925","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037350","7.162","0.0005","12.0359","0.0008","23.16","0.0014","90","","90","","90","","1996.4","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl O7 -","- C19 H25 Cl O7 -","- C76 H100 Cl4 O28 -","4","1","","Gomes, José; Daeppen, Christophe; Liffert, Raphael; Roesslein, Joel; Kaufmann, Elias; Heikinheimo, Annakaisa; Neuburger, Markus; Gademann, Karl","Formal Total Synthesis of (-)-Jiadifenolide and Synthetic Studies toward seco-Prezizaane-Type Sesquiterpenes.","The Journal of organic chemistry","2016","81","22","11017","11034","10.1021/acs.joc.6b02039","","","1.54178","CuKα","","0.0295","0.0277","","0.0333","0.0312","0.0305","","","","","","1.0976","","","","has coordinates","235988","2020-10-21","18:00:00",""
"4037354","8.4545","0.0009","11.2672","0.0012","14.7983","0.0015","90","","90","","90","","1409.7","0.3","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Weng, Chia-Hao; Hsu, Day-Shin; Liao, Chun-Chen","Application of Carbohydrate-Templated Asymmetric Diels-Alder Reaction to the Syntheses of ent-Penicillones A and B.","The Journal of organic chemistry","2016","81","22","11421","11426","10.1021/acs.joc.6b02055","","","0.71073","MoKα","","0.0671","0.0432","","","0.0947","0.1056","","","","","","1.029","","","","has coordinates","235997","2020-10-21","18:00:00",""
"4037355","9.469","0.002","9.7437","0.0017","24.586","0.004","90","","90","","90","","2268.4","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(5-((trimethylsilyl)oxy)-5H-dibenzo[a,d][7]annulen-5-yl)chroman-2-one","","- C27 H26 O3 Si -","- C27 H26 O3 Si -","- C108 H104 O12 Si4 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0963","0.0447","","","0.0565","0.0622","","","","","","1.002","","","","has coordinates","235999","2020-10-21","18:00:00",""
"4037361","11.418","0.002","11.5134","0.0018","12.964","0.002","90","","90","","90","","1704.2","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-benzhydryl-3-methyl-2H-chromen-2-one","","- C23 H18 O2 -","- C23 H18 O2 -","- C92 H72 O8 -","4","1","","Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko","Electroreductive Intermolecular Coupling of Coumarins with Benzophenones: Synthesis of 4-(2-Hydroxyphenyl)-5,5-diaryl-γ-butyrolactones, 2-(2,2-Diaryl-2,3-dihydrobenzofuran-3-yl)acetic Acids, and 4-(Diarylmethyl)coumarins.","The Journal of organic chemistry","2016","81","22","11043","11056","10.1021/acs.joc.6b02056","","","0.71075","MoKα","","0.0805","0.0369","","","0.0453","0.0479","","","","","","1.001","","","","has coordinates","236010","2020-10-21","18:00:00",""
"4037390","11.92","0.002","12.26","0.003","15.79","0.003","90","","90","","90","","2307.5","0.8","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 B2 Cl N O4 -","- C21 H34 B2 Cl N O4 -","- C84 H136 B8 Cl4 N4 O16 -","4","1","","Kaithal, Akash; Chatterjee, Basujit; Gunanathan, Chidambaram","Ruthenium-Catalyzed Selective Hydroboration of Nitriles and Imines.","The Journal of organic chemistry","2016","81","22","11153","11161","10.1021/acs.joc.6b02122","","x-ray","0.71073","MoKα","","0.0725","0.056","","","0.1383","0.1513","","","","","","1.029","","","","has coordinates","236067","2020-10-21","18:00:00",""
"4037392","11.495","0.008","12.365","0.009","20.951","0.015","90","","90","","90","","2978","4","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl N O2 -","- C18 H11.5 Cl N O2 -","- C144 H92 Cl8 N8 O16 -","8","2","","Yu, Yulan; Zhuang, Shengyi; Liu, Ping; Sun, Peipei","Cyanomethylation and Cyclization of Aryl Alkynoates with Acetonitrile under Transition-Metal-Free Conditions: Synthesis of 3-Cyanomethylated Coumarins.","The Journal of organic chemistry","2016","81","22","11489","11495","10.1021/acs.joc.6b02155","","","0.71073","MoKα","","0.1843","0.1494","","","0.3343","0.3614","","","","","","1.317","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4037399","9.0184","0.0006","11.6977","0.0008","15.8224","0.001","90","","90","","90","","1669.18","0.19","296","2","296","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","(R,Z)-N-(3-Isopropyl-5-phenylthiazolidin-2-ylidene)aniline","","- C18 H20 N2 S -","- C18 H20 N2 S -","- C72 H80 N8 S4 -","4","1","","Sengoden, Mani; Irie, Ryo; Punniyamurthy, Tharmalingam","Enantiospecific Aluminum-Catalyzed (3+2) Cycloaddition of Unactivated Aziridines with Isothiocyanates.","The Journal of organic chemistry","2016","81","22","11508","11513","10.1021/acs.joc.6b02190","","","0.71073","MoKα","","0.1435","0.0817","","","0.2266","0.2662","","","","","","1.057","","","","has coordinates","236077","2020-10-21","18:00:00",""
"4037400","9.0561","0.0002","13.374","0.0003","14.87","0.0003","90","","90","","90","","1801","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","De, Subhadip; Das, Mrinal Kanti; Roy, Avishek; Bisai, Alakesh","Synthesis of 2-Oxindoles Sharing Vicinal All-Carbon Quaternary Stereocenters via Organocatalytic Aldol Reaction.","The Journal of organic chemistry","2016","81","24","12258","12274","10.1021/acs.joc.6b02195","","","0.71073","MoKα","","0.0406","0.0359","","","0.0882","0.0914","","","","","","1.266","","","","has coordinates","236080","2020-10-21","18:00:00",""
"4037403","9.251","0.0011","11.3325","0.0013","20.531","0.002","90","","90","","90","","2152.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C104 H84 N12 O4 -","4","1","","Wang, Cong-Shuai; Fan, Tao; Zhang, Hong-Hao; Li, Can; Shen, Yang; Mei, Guang-Jian; Shi, Feng","Gallium Bromide-Promoted Dearomative Indole Insertion in 3-Indolylmethanols: Chemoselective and (Z/E)-Selective Synthesis of 3,3'-Bisindole Derivatives.","The Journal of organic chemistry","2016","81","23","11734","11742","10.1021/acs.joc.6b02201","","","0.71073","MoKα","","0.0596","0.0396","","","0.0979","0.1095","","","","","","1.057","","","","has coordinates","236086","2020-10-21","18:00:00",""
"4037408","6.3779","0.0003","19.36","0.0008","31.3111","0.0012","90","","90","","90","","3866.2","0.3","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 O -","- C29 H22 O -","- C232 H176 O8 -","8","2","","Ravat, Prince; Ribar, Peter; Rickhaus, Michel; Häussinger, Daniel; Neuburger, Markus; Juríček, Michal","Spin-Delocalization in a Helical Open-Shell Hydrocarbon.","The Journal of organic chemistry","2016","81","24","12303","12317","10.1021/acs.joc.6b02246","","","1.34143","GaKα","","0.0546","0.0311","","0.0353","0.0266","0.0309","","","","","","0.8938","","","","has coordinates,has disorder","236099","2020-10-21","18:00:00",""
"4037417","9.407","0.0008","13.2405","0.0011","15.2351","0.0014","90","","90","","90","","1897.6","0.3","258","2","258","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 O2 S -","- C23 H18 O2 S -","- C92 H72 O8 S4 -","4","1","","Gao, Wen-Chao; Liu, Tao; Zhang, Bing; Li, Xing; Wei, Wen-Long; Liu, Qiang; Tian, Jun; Chang, Hong-Hong","Synthesis of 3-Sulfenylated Coumarins: BF<sub>3</sub>·Et<sub>2</sub>O-Mediated Electrophilic Cyclization of Aryl Alkynoates Using N-Sulfanylsuccinimides.","The Journal of organic chemistry","2016","81","22","11297","11304","10.1021/acs.joc.6b02271","","","0.71073","MoKα","","0.0448","0.0356","","","0.0832","0.0889","","","","","","1.063","","","","has coordinates","236112","2020-10-21","18:00:00",""
"4037426","8.4704","0.0003","12.2155","0.0004","16.9196","0.0005","90","","90","","90","","1750.67","0.1","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","","Yamada, Shinji; Yamamoto, Natsuo; Takamori, Eri","Synthesis of Molecular Seesaw Balances and the Evaluation of Pyridinium-π Interactions.","The Journal of organic chemistry","2016","81","23","11819","11830","10.1021/acs.joc.6b02295","","","1.54187","CuKα","","0.0408","0.0383","","","0.084","0.0853","","","","","","1.042","","","","has coordinates","236119","2020-10-21","18:00:00",""
"4037445","8.364","0.0004","11.4403","0.0008","21.0151","0.001","90","","90","","90","","2010.9","0.2","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl N2 O -","- C22 H29 Cl N2 O -","- C88 H116 Cl4 N8 O4 -","4","1","","Boratyński, Przemysław J; Kowalczyk, Rafał; Kobylańska, Anna; Bąkowicz, Julia","Tricyclic Quaternary Ammonium Salts Derived from Cinchona Alkaloids.","The Journal of organic chemistry","2016","81","24","12489","12493","10.1021/acs.joc.6b02348","","","0.71073","MoKα","","0.1059","0.062","","","0.1275","0.1497","","","","","","1.038","","","","has coordinates","236156","2020-10-21","18:00:00",""
"4037447","7.0355","0.0018","7.546","0.003","22.72","0.011","90","","90","","90","","1206.2","0.8","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-(m-tolyl)pyrido[2,3-e][1,2,4]triazolo[4,3-c]pyrimidine","","- C15 H11 N5 -","- C15 H11 N5 -","- C60 H44 N20 -","4","1","","Champiré, Anthony; Vala, Christine; Laabid, Achraf; Benharref, Ahmed; Marchivie, Mathieu; Plé, Karen; Routier, Sylvain","Controlled Dimroth Rearrangement in the Suzuki-Miyaura Cross Coupling of Triazolopyridopyrimidines.","The Journal of organic chemistry","2016","81","24","12506","12513","10.1021/acs.joc.6b02357","","","0.71073","MoKα","","0.049","0.038","","","0.0855","0.0899","","","","","","1.05","","","","has coordinates","236160","2020-10-21","18:00:00",""
"4037451","11.6977","0.0005","14.2227","0.0006","39.3907","0.0013","90","","90","","90","","6553.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H30 N4 Ni -","- C46 H30 N4 Ni -","- C368 H240 N32 Ni8 -","8","2","","Sharma, Meenakshi; Banerjee, Subhadeep; Zeller, Matthias; Brückner, Christian","Fusion and Desulfurization Reactions of Thiomorpholinochlorins.","The Journal of organic chemistry","2016","81","24","12350","12356","10.1021/acs.joc.6b02383","","","1.54178","CuKα","","0.1072","0.0925","","","0.2389","0.2592","","","","","","1.021","","","","has coordinates,has disorder","236166","2020-10-21","18:00:00",""
"4037455","6.41183","0.00015","10.9322","0.0002","25.7034","0.0005","90","","90","","90","","1801.69","0.06","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O3 S -","- C20 H16 N2 O3 S -","- C80 H64 N8 O12 S4 -","4","1","","Li, Jiangtao; Qiu, Shuai; Ye, Xinyi; Zhu, Bo; Liu, Hongjun; Jiang, Zhiyong","Dipeptide-Based Chiral Tertiary Amine-Catalyzed Asymmetric Conjugate Addition Reactions of 5H-Thiazol/Oxazol-4-Ones.","The Journal of organic chemistry","2016","81","23","11916","11923","10.1021/acs.joc.6b02384","","","1.54184","CuKα","","0.0472","0.041","","","0.0993","0.1046","","","","","","1.05","","","","has coordinates","236173","2020-10-21","18:00:00",""
"4037458","11.5905","0.0001","13.9651","0.0002","20.7905","0.0003","90","","90","","90","","3365.2","0.07","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","1","","Shirasaki, Yoshinao; Okamoto, Yuta; Muranaka, Atsuya; Kamino, Shinichiro; Sawada, Daisuke; Hashizume, Daisuke; Uchiyama, Masanobu","Fused-Fluoran Leuco Dyes with Large Color-Change Derived from Two-Step Equilibrium: iso-Aminobenzopyranoxanthenes.","The Journal of organic chemistry","2016","81","23","12046","12051","10.1021/acs.joc.6b02403","","","0.71073","MoKα","","0.0528","0.0394","","","0.091","0.0966","","","","","","1.043","","","","has coordinates","236179","2020-10-21","18:00:00",""
"4037465","10.1471","0.0004","10.2402","0.0004","18.237","0.0007","90","","90","","90","","1894.98","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","PH-5-110+98-A","","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C80 H100 N4 O20 -","4","1","","Haghshenas, Pouyan; Quail, J. Wilson; Gravel, Michel","Substrate-Controlled Diastereoselectivity Reversal in NHC-Catalyzed Cross-Benzoin Reactions Using N-Boc-N-Bn-Protected α-Amino Aldehydes.","The Journal of organic chemistry","2016","81","24","12075","12083","10.1021/acs.joc.6b02568","","","0.71073","MoKα","","0.0308","0.0291","","","0.0753","0.0765","","","","","","1.028","","","","has coordinates","236194","2020-10-21","18:00:00",""
"4037468","23.6277","0.0009","24.7861","0.001","39.6556","0.0019","90","","90","","90","","23223.8","1.7","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C154 H170 I3 K2 N86 O67 -","- C154 H170 I3 K2 N86 O67 -","- C616 H680 I12 K8 N344 O268 -","4","1","","Gong, Wanjun; Ma, Jun; Zhao, Zhiyong; Gao, Fang; Liang, Feng; Zhang, Haijun; Liu, Simin","Inhibition and Stabilization: Cucurbituril Induced Distinct Effects on the Schiff Base Reaction.","The Journal of organic chemistry","2017","82","6","3298","3301","10.1021/acs.joc.6b02971","","","1.54178","CuKα","","0.1812","0.1375","","","0.3117","0.3548","","","","","","0.973","","","","has coordinates","236201","2020-10-21","18:00:00",""
"4037471","10.1206","0.0002","10.1349","0.0002","21.0311","0.0005","90","","90","","90","","2157.19","0.08","130","0.2","130","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Manchala, Narasimhulu; Law, Hanson Y. L.; Kerr, Daniel J.; Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Multistereocenter-Containing Cyclopentanoids from Ynamides via Oxazolidinone-Controlled Nazarov Cyclization.","The Journal of organic chemistry","2017","82","13","6511","6527","10.1021/acs.joc.7b00082","","","1.5418","CuKα","","0.0438","0.0418","","","0.1044","0.1059","","","","","","0.989","","","","has coordinates","236207","2020-10-21","18:00:00",""
"4037478","6.62124","0.00007","13.29651","0.00013","34.1798","0.0004","90","","90","","90","","3009.17","0.06","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 Cl3 F O6 -","- C30 H42 Cl3 F O6 -","- C120 H168 Cl12 F4 O24 -","4","1","","Pitts, Cody Ross; Siegler, Maxime A.; Lectka, Thomas","Intermolecular Aliphatic C-F···H-C Interaction in the Presence of ""Stronger"" Hydrogen Bond Acceptors: Crystallographic, Computational, and IR Studies.","The Journal of organic chemistry","2017","82","7","3996","4000","10.1021/acs.joc.7b00268","","","1.54178","CuKα","","0.0359","0.0353","","","0.1003","0.1009","","","","","","1.092","","","","has coordinates","236221","2020-10-21","18:00:00",""
"4037495","7.305","0.0009","16.254","0.003","16.7183","0.0019","90","","90","","90","","1985.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl2 O16 -","- C40 H37.8 Cl2 O15.9 -","- C80 H75.6 Cl4 O31.8 -","2","0.5","","Moro, Artur J.; Parola, A. Jorge; Pina, Fernando; Pana, Ana-Maria; Badea, Valentin; Pausescu, Iulia; Shova, Sergiu; Cseh, Liliana","2,2'-Spirobis[chromene] Derivatives Chemistry and Their Relation with the Multistate System of Anthocyanins.","The Journal of organic chemistry","2017","82","10","5301","5309","10.1021/acs.joc.7b00634","","x-ray","1.54184","CuKα","","0.172","0.096","","","0.2311","0.3041","","","","","","1.003","","","","has coordinates,has disorder","236250","2020-10-21","18:00:00",""
"4037496","10.2517","0.0003","14.6838","0.0004","17.6105","0.0005","90","","90","","90","","2650.98","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N4 O4 S -","- C26 H30 N4 O4 S -","- C104 H120 N16 O16 S4 -","4","1","","Lin, Huihua; Zhou, Zijun; Cai, Jun; Han, Bowen; Gong, Lei; Meggers, Eric","Asymmetric Construction of 3,3-Disubstituted Oxindoles Bearing Vicinal Quaternary-Tertiary Carbon Stereocenters Catalyzed by a Chiral-at-Rhodium Complex.","The Journal of organic chemistry","2017","82","12","6457","6467","10.1021/acs.joc.7b00793","","","1.54184","CuKα","","0.0331","0.032","","","0.0877","0.0889","","","","","","1","","","","has coordinates","236251","2020-10-21","18:00:00",""
"4037497","7.2152","0.0003","14.0726","0.0007","20.7911","0.001","90","","90","","90","","2111.06","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Br2 -","- C28 H20 Br2 -","- C112 H80 Br8 -","4","1","","van Leeuwen, Thomas; Danowski, Wojciech; Otten, Edwin; Wezenberg, Sander J.; Feringa, Ben L.","Asymmetric Synthesis of Second-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2017","82","10","5027","5033","10.1021/acs.joc.7b00852","","","0.71073","MoKα","","0.017","0.0157","","","0.0392","0.0395","","","","","","1.084","","","","has coordinates","236252","2020-10-21","18:00:00",""
"4037538","12.625","0.003","18.139","0.003","27.006","0.005","90","","90","","90","","6185","2","100","","100","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H39 O P -","- C20 H39 O P -","- C240 H468 O12 P12 -","12","3","","Koller, Sebastian; Gatzka, Julia; Wong, Kit Ming; Altmann, Philipp J.; Pöthig, Alexander; Hintermann, Lukas","Stereochemistry of the Menthyl Grignard Reagent: Generation, Composition, Dynamics, and Reactions with Electrophiles.","The Journal of organic chemistry","2018","83","24","15009","15028","10.1021/acs.joc.8b02278","","x-ray","0.71073","MoKα","","0.0483","0.0437","","","0.1085","0.1112","","","","","","1.043","","","","has coordinates,has disorder","236299","2020-10-21","18:00:00",""
"4037554","8.79462","0.00016","14.7893","0.0002","19.5287","0.0003","90","","90","","90","","2540.03","0.07","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O2 -","- C29 H44 O2 -","- C116 H176 O8 -","4","1","","Wang, Chao; Yan, Qingsong; Wang, Yifei; Huang, Shanshan; Ning, Jing; Feng, Lei; Sun, Chengpeng; Zhang, Baojing; Li, Dawei; Ma, Xiaochi","Ebracpenes A and B, Unusual Ring C- seco and Ring D-aromatic Nor-Triterpenoids, from Euphorbia ebracteolata and Lipase Inhibitory Evaluation.","The Journal of organic chemistry","2019","84","3","1624","1629","10.1021/acs.joc.8b02800","","x-ray","1.54184","CuKα","","0.0484","0.0456","","","0.1197","0.1217","","","","","","1.071","","","","has coordinates","236328","2020-10-21","18:00:00",""
"4037576","5.7414","0.0001","16.5338","0.0004","23.6498","0.0006","90","","90","","90","","2245.01","0.09","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Br O3 S Se -","- C23 H23 Br O3 S Se -","- C92 H92 Br4 O12 S4 Se4 -","4","1","","Chen, Zhili; Hu, Fangli; Huang, Shengli; Zhao, Zhengxing; Mao, Hui; Qin, Wenling","Organocatalytic Enantioselective Selenosulfonylation of a C-C Double Bond To Form Two Stereogenic Centers in an Aqueous Medium.","The Journal of organic chemistry","2019","84","12","8100","8111","10.1021/acs.joc.9b00973","","","0.71073","MoKα","","0.0484","0.0351","","","0.0595","0.0636","","","","","","1.034","","","","has coordinates","236374","2020-10-21","18:00:00",""
"4037577","5.76106","0.00011","16.4713","0.0004","23.1761","0.0006","90","","90","","90","","2199.23","0.09","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 O3 S Se -","- C24 H24 O3 S Se -","- C96 H96 O12 S4 Se4 -","4","1","","Chen, Zhili; Hu, Fangli; Huang, Shengli; Zhao, Zhengxing; Mao, Hui; Qin, Wenling","Organocatalytic Enantioselective Selenosulfonylation of a C-C Double Bond To Form Two Stereogenic Centers in an Aqueous Medium.","The Journal of organic chemistry","2019","84","12","8100","8111","10.1021/acs.joc.9b00973","","","0.71073","MoKα","","0.0566","0.0393","","","0.0775","0.0839","","","","","","1.064","","","","has coordinates","236375","2020-10-21","18:00:00",""
"4037582","7.8437","0.0002","11.9146","0.0003","20.1565","0.0006","90","","90","","90","","1883.72","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","1","","Koenig, Jonas J.; Arndt, Thiemo; Gildemeister, Nora; Neudörfl, Jörg-M; Breugst, Martin","Iodine-Catalyzed Nazarov Cyclizations.","The Journal of organic chemistry","2019","84","12","7587","7605","10.1021/acs.joc.9b01083","","","1.54178","CuKα","","0.0366","0.0326","","","0.0781","0.0807","","","","","","1.105","","","","has coordinates","236383","2020-10-21","18:00:00",""
"4037585","7.8259","0.0006","9.5135","0.0008","22.647","0.0018","90","","90","","90","","1686.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C72 H100 N4 O12 S4 -","4","1","","Li, Renhe; Liu, Feipeng; Dong, Guangbin","Palladium-catalyzed asymmetric annulation between aryl iodides and racemic epoxides using a chiral norbornene cocatalyst.","Organic chemistry frontiers : an international journal of organic chemistry","2018","5","21","3108","3112","10.1039/c8qo00808f","","","0.71073","MoKα","","0.035","0.0304","","","0.0758","0.0771","","","","","","1.044","","","","has coordinates","237216","2020-10-21","18:00:00",""
"4037602","11.8083","0.0002","11.954","0.0002","19.8145","0.0003","90","","90","","90","","2796.94","0.08","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H22 Br2 Fe2 N2 -","- C34 H22 Br2 Fe2 N2 -","- C136 H88 Br8 Fe8 N8 -","4","1","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.7107","MoKα","","0.0435","0.035","","","0.0639","0.0666","","","","","","1.097","","","","has coordinates","243441","2020-10-21","18:00:00",""
"4037611","9.6295","0.0004","11.0331","0.0004","15.6854","0.0005","90","","90","","90","","1666.47","0.11","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C76 H64 N8 O8 S4 -","4","1","","Zhang, Duo; Cui, Xiuling; Zhang, Qianqian; Wu, Yangjie","Pd-catalyzed direct C-H bond sulfonylation of azobenzenes with arylsulfonyl chlorides.","The Journal of organic chemistry","2015","80","3","1517","1522","10.1021/jo502451k","","","1.54184","CuKα","","0.0428","0.038","","","0.0956","0.1005","","","","","","1.04","","","","has coordinates","243450","2020-10-21","18:00:00",""
"4037641","10.7086","0.0003","15.3363","0.0004","19.0255","0.0005","90","","90","","90","","3124.56","0.15","153","2","153","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 N3 O4 -","- C34 H29 N3 O4 -","- C136 H116 N12 O16 -","4","1","","Tan, Chang-Yin; Lu, Hong; Zhang, Jia-Lu; Liu, Jin-Yu; Xu, Peng-Fei","Asymmetric Organocatalytic [4 + 1] Annulations Involving Polarity Reversal Process: A Tandem Catalytic Approach to Highly Functionalized Spiropyrazolone Derivatives.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02684","","","1.54178","CuKα","","0.0302","0.0296","","","0.0755","0.0761","","","","","","1.051","","","","has coordinates","245151","2020-10-21","18:00:00",""
"4037643","5.7417","0.0009","9.3943","0.0015","27.095","0.004","90","","90","","90","","1461.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C64 H56 N8 O8 S4 -","4","1","","Necardo, Cristiana; Alfano, Antonella Ilenia; Del Grosso, Erika; Pelliccia, Sveva; Galli, Ubaldina; Novellino, Ettore; Meneghetti, Fiorella; Giustiniano, Mariateresa; Tron, Gian Cesare","Aryl Azides as Forgotten Electrophiles in the Van Leusen Reaction: A Multicomponent Transformation Affording 4-Tosyl-1-arylimidazoles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02546","","","0.71073","MoKα","","0.0403","0.0348","","","0.0875","0.0929","","","","","","1.031","","","","has coordinates","245153","2020-10-21","18:00:00",""
"4037654","10.6558","0.0002","11.2377","0.0002","19.3781","0.0004","90","","90","","90","","2320.46","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O2 S -","- C28 H26 N2 O2 S -","- C112 H104 N8 O8 S4 -","4","1","","Tarannum, Saima; Sk, Sahid; Das, Subhomoy; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Stereoselective Syntheses of Highly Functionalized Imidazolidines and Oxazolidines via Ring-Opening-Cyclization of Activated Aziridines and Epoxides with Amines and Aldehydes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02278","","","0.71073","MoKα","","0.0314","0.0285","","","0.0787","0.0893","","","","","","1.157","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4037668","5.4786","0.0002","8.2604","0.0003","19.415","0.0006","90","","90","","90","","878.63","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N5 O3 S -","- C4 H9 N5 O3 S -","- C16 H36 N20 O12 S4 -","4","1","","Liu, Yingle; Zhao, Gang; Yu, Qiong; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Intermolecular Weak Hydrogen Bonding (Het-H-N/O): an Effective Strategy for the Synthesis of Monosubstituted 1,2,4,5-Tetrazine-Based Energetic Materials with Excellent Sensitivity.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02484","","","0.71073","MoKα","","0.0441","0.0324","","","0.0737","0.0787","","","","","","1.03","","","","has coordinates","245175","2020-10-21","18:00:00",""
"4037689","5.845","0.0001","10.0578","0.0002","14.217","0.0003","90","","90","","90","","835.79","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.","Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02725","","","0.71073","MoKα","","0.061","0.0428","","0.0909","0.0803","0.0909","","","","","","1.0238","","","","has coordinates","245345","2020-10-21","18:00:00",""
"4037697","8.6975","0.0007","11.1079","0.0009","19.6779","0.0017","90","","90","","90","","1901.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br O4 S -","- C22 H17 Br O4 S -","- C88 H68 Br4 O16 S4 -","4","1","","Chang, Meng-Yang; Tsai, Yu-Lin; Chang, Yu-Lun","Gram-Scale Synthesis of 3-Sulfonyl Flavanones.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02980","","","0.71073","MoKα","","0.0342","0.0283","","","0.0543","0.0561","","","","","","1.012","","","","has coordinates","245351","2020-10-21","18:00:00",""
"4037704","8.3598","0.0001","11.9459","0.0001","32.5899","0.0004","90","","90","","90","","3254.6","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl N3 O6 -","- C15 H14 Cl N3 O6 -","- C120 H112 Cl8 N24 O48 -","8","2","","Ding, Ya-Li; Zhao, Yun-Long; Niu, Shuang-Shuo; Wu, Pei; Cheng, Ying","Asymmetric Synthesis of Multifunctionalized 2,3-Benzodiazepines by a One-pot N-Heterocyclic Carbene/Chiral Palladium Sequential Catalysis.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02693","","x-ray","1.54184","CuKα","","0.0367","0.0315","","","0.077","0.0834","","","","","","1.099","","","","has coordinates","245356","2020-10-21","18:00:00",""
"4037710","10.6797","0.0001","14.616","0.0001","28.3819","0.0002","90","","90","","90","","4430.26","0.06","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 F4 N2 O2 -","- C26 H20 F4 N2 O2 -","- C208 H160 F32 N16 O16 -","8","2","","Xu, Xinyao; He, Yanmin; Zhou, Jingqi; Li, Xinjuan; Zhu, Bo; Chang, Junbiao","Organocatalytic Asymmetric Michael Addition of Pyrazol-5-ones to β-Trifluoromethyl-α,β-unsaturated ketones: Stereocontrolled Construction of Vicinal Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02676","","x-ray","1.54184","CuKα","","0.0454","0.0436","","","0.1195","0.1214","","","","","","1.035","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037712","8.589","0.002","15.353","0.004","22.146","0.006","90","","90","","90","","2920.3","1.3","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H19 Cl F2 N2 O5 -","- C29 H19 Cl F2 N2 O5 -","- C116 H76 Cl4 F8 N8 O20 -","4","1","","Zi, Quan-Xing; Yang, Chang-Long; Li, Kun; Luo, Qin; Lin, Jun; Yan, Sheng-Jiao","Multicomponent cascade reaction by metal-free aerobic oxidation for synthesis of highly functionalized 2-amino-4-cumarinyl-5-arylpyrroles.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02063","","","0.71073","MoKα","","0.185","0.1082","","","0.2631","0.2952","","","","","","1.587","","","","has coordinates,has disorder","245411","2020-10-21","18:00:00",""
"4037719","8.9116","0.0003","15.1687","0.0005","24.1124","0.0008","90","","90","","90","","3259.45","0.19","100","","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 N4 O8 -","- C34 H36 N4 O8 -","- C136 H144 N16 O32 -","4","1","","Gurr, Joshua R.; Dai, Jingqiu; Philbin, Casey S.; Sartain, Hope T.; O'Donnell, Timothy J; Yoshida, Wesley Y.; Rheingold, Arnold L.; Williams, Philip G.","Tolyporphins L-R: Unusual Tetrapyrroles from a Brasilonema sp. of Cyanobacterium.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b01928","","x-ray","1.54178","CuKα","","0.0596","0.0482","","","0.1137","0.1207","","","","","","1.109","","","","has coordinates","245538","2020-10-21","18:00:00",""
"4037722","12.484","0.002","15.984","0.003","20.269","0.003","90","","90","","90","","4044.6","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 Se -","- C22 H23 N O3 Se -","- C176 H184 N8 O24 Se8 -","8","2","","Wu, Di; Qiu, Jiashen; Li, Chengqiu; Yuan, Lexia; Yin, Hongquan; Chen, Fu-Xue","Lewis Acid-Catalyzed Asymmetric Selenocyanation of β-Ketoesters with N-Selenocyanatosaccharin.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02786","","","0.71073","MoKα","","0.0787","0.0437","","","0.097","0.1131","","","","","","0.965","","","","has coordinates","245541","2020-10-21","18:00:00",""
"4037746","3.9928","0.0002","20.0972","0.0006","28.7175","0.001","90","","90","","90","","2304.41","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Br-py-Ar","","","- C13 H12 Br N O -","- C13 H12 Br N O -","- C104 H96 Br8 N8 O8 -","8","2","","Wang, Pengzhi; Lu, Futai; Lindsey, Jonathan S.","Use of the Nascent Isocyclic Ring to Anchor Assembly of the Full Skeleton of Model Chlorophylls","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02770","","","0.71073","MoKα","","0.0473","0.0352","","","0.0684","0.0721","","","","","","1.021","","","","has coordinates","246281","2020-10-21","18:00:00",""
"4037754","6.5917","0.001","29.503","0.005","50.546","0.008","90","","90","","90","","9830","3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C96 H150.16 N O35.58 -","- C96 H139 N O35.579 -","- C384 H556 N4 O142.316 -","4","1","","Fukaya, Keisuke; Urabe, Daisuke; Hiraizumi, Masato; Noguchi, Keiichi; Matsumoto, Takashi; Sakurai, Kaori","Computational and Experimental Analysis on the Conformational Preferences of Anticancer Saponin OSW-1","The Journal of Organic Chemistry","2019","","","","","10.1021/acs.joc.9b02085","","","1.54187","CuKα","","0.0887","0.072","","","0.2001","0.2219","","","","","","1.068","","","","has coordinates,has disorder","246346","2020-10-21","18:00:00",""
"4037760","9.5748","0.0002","14.0946","0.0003","15.6037","0.0003","90","","90","","90","","2105.77","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N4 O2 -","- C22 H32 N4 O2 -","- C88 H128 N16 O8 -","4","1","","Esteve, Ferran; Altava, Belen; Bolte, Michael; Burguete, Maria Isabel; Garcia-Verdugo, Eduardo; Luis, Santiago V.","Highly selective anion template effect in the synthesis of constrained pseudopeptidic macrocyclic cyclophanes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03048","","","1.54184","CuKα","","0.0498","0.0473","","","0.115","0.1179","","","","","","1.067","","","","has coordinates,has disorder","246483","2020-10-21","18:00:00",""
"4037761","16.178","0.003","16.45","0.003","19.2","0.004","90","","90","","90","","5109.7","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 N4 O2.5 -","- C25 H39 N4 O2.5 -","- C200 H312 N32 O20 -","8","2","","Esteve, Ferran; Altava, Belen; Bolte, Michael; Burguete, Maria Isabel; Garcia-Verdugo, Eduardo; Luis, Santiago V.","Highly selective anion template effect in the synthesis of constrained pseudopeptidic macrocyclic cyclophanes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03048","","","0.71073","MoKα","","0.1505","0.1456","","","0.3638","0.3757","","","","","","1.639","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4037762","9.9079","0.0003","14.3041","0.0005","16.03","0.0006","90","","90","","90","","2271.83","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N4 O2 -","- C23 H34 N4 O2 -","- C92 H136 N16 O8 -","4","1","","Esteve, Ferran; Altava, Belen; Bolte, Michael; Burguete, Maria Isabel; Garcia-Verdugo, Eduardo; Luis, Santiago V.","Highly selective anion template effect in the synthesis of constrained pseudopeptidic macrocyclic cyclophanes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03048","","","1.54184","CuKα","","0.0675","0.0553","","","0.1537","0.1674","","","","","","1.052","","","","has coordinates","246485","2020-10-21","18:00:00",""
"4037763","9.6765","0.0003","17.4857","0.0006","18.9347","0.0008","90","","90","","90","","3203.8","0.2","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 N4 O2 -","- C30 H48 N4 O2 -","- C120 H192 N16 O8 -","4","1","","Esteve, Ferran; Altava, Belen; Bolte, Michael; Burguete, Maria Isabel; Garcia-Verdugo, Eduardo; Luis, Santiago V.","Highly selective anion template effect in the synthesis of constrained pseudopeptidic macrocyclic cyclophanes.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03048","","","1.54184","CuKα","","0.0851","0.0721","","","0.2129","0.2328","","","","","","1.042","","","","has coordinates","246486","2020-10-21","18:00:00",""
"4037776","8.6813","0.0002","10.6444","0.0003","19.1425","0.0006","90","","90","","90","","1768.91","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N -","- C24 H17 N -","- C96 H68 N4 -","4","1","","Wang, Jie; Zhao, Zi-Biao; Zhao, Yanan; Luo, Gen; Zhu, Zhou-Hao; Luo, Yi; Zhou, Yong-Gui","Chiral and Regenerable NAD(P)H Models Enabled Biomimetic Asymmetric Reduction: Design, Synthesis, Scope and Mechanistic Studies.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03054","","","1.54178","CuKα","","0.0427","0.0375","","","0.0948","0.1001","","","","","","1.076","","","","has coordinates","246706","2020-10-21","18:00:00",""
"4037785","7.3339","0.0018","14.441","0.003","23.516","0.005","90","","90","","90","","2490.6","1","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H15 Br O5 -","- C34 H15 Br O5 -","- C136 H60 Br4 O20 -","4","1","","Cao, Jun; Shi, Rong-Guo; Sun, Jing; Liu, Dan; Liu, Ruzhang; Xia, Xiao-Nan; Wang, Yang; Yan, Chao-Guo","Domino Reaction of Aromatic Aldehydes and 1,3-Indandiones for Construction of Bicyclo[2.2.2]octanes and Dibenzo[b,g]indeno[1',2':3,4]fluoreno[1,2-d]oxonines.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02911","","","0.71073","MoKα","","0.142","0.0639","","","0.1109","0.1321","","","","","","1.015","","","","has coordinates","246707","2020-10-21","18:00:00",""
"4037786","9.017","0.003","9.923","0.003","21.325","0.008","90","","90","","90","","1908.1","1.1","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","","Liu, Shi; Gellman, Samuel H.","Preparation of β2-Homologous Amino Acids Bearing Polar Side Chains via a Collective Synthesis Strategy","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.9b02562","","x-ray","0.71073","MoKα","K-L~3~","0.0585","0.0566","","","0.1548","0.1562","","","","","","1.077","","","","has coordinates","246708","2020-10-21","18:00:00",""
"4037790","11.5995","0.0003","17.9668","0.0004","37.0913","0.0008","90","","90","","90","","7730","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","345TMTSubPz","","","- C76 H79 B N6 O19 -","- C76 H79 B N6 O19 -","- C304 H316 B4 N24 O76 -","4","1","","Caballero, Esmeralda; Guzman, David; Torres, Tomás; Rodriguez-Morgade, M Salome","Expanding the Subporphyrazine chromophore by conjugation of phenylene and vinylene substituents: Rainbow SubPzs.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02658","","","0.71073","MoKα","","0.1338","0.0938","","","0.263","0.3011","","","","","","1.169","","","","has coordinates,has disorder","246710","2020-10-21","18:00:00",""
"4037792","9.9788","0.0002","12.3213","0.0002","19.5547","0.0004","90","","90","","90","","2404.29","0.08","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C104 H128 N16 O16 -","8","2","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0518","0.0473","","","0.1276","0.1339","","","","","","1.062","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037797","8.77594","0.00011","10.37922","0.00011","16.1674","0.0002","90","","90","","90","","1472.65","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Leas, Derek Andrew; Dong, Yuxiang; Garrison, Jered C.; Wang, Xiaofang; Ezell, Edward L.; Stack, Douglas Edward; Vennerstrom, Jonathan L.","Tricyclic Imidazolidin-4-ones by Witkop Oxidation of Tetrahydro-β-carbolines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03402","","x-ray","1.54184","CuKα","","0.0421","0.0373","","","0.0954","0.0984","","","","","","1.051","","","","has coordinates","246711","2020-10-21","18:00:00",""
"4037803","13.584","0.003","16.196","0.004","24.572","0.006","90","","90","","90","","5406","2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H91 N5 O9 -","- C48 H91 N5 O9 -","- C192 H364 N20 O36 -","4","1","","Rzeigui, Maha; Traikia, Mounir; Jouffret, Laurent; Kriznik, Alexandre; Khiari, Jameleddine; Roy, Olivier; Taillefumier, Claude","Strengthening Peptoid Helicity through Sequence Site-Specific Positioning of Amide Cis-Inducing <i>Nt</i>Bu monomers.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02916","","","0.71073","MoKα","","0.18","0.0655","","","0.139","0.1808","","","","","","1.015","","","","has coordinates","246785","2020-10-21","18:00:00",""
"4037805","8.3171","0.0004","10.6442","0.0005","15.5771","0.0009","90","","90","","90","","1379.02","0.12","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C64 H56 Cl4 N4 O4 -","4","1","","Xie, Qinxia; Long, Hai-Jiao; Zhang, Qiong-Yin; Tang, Pei; Deng, Jun","Enantioselective Syntheses of 4H-3,1-Benzoxazines via Catalytic Asymmetric Chlorocyclization of o-Vinylanilides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02395","","","0.71073","MoKα","","0.0646","0.0477","","","0.0985","0.1109","","","","","","1.112","","","","has coordinates","246787","2020-10-21","18:00:00",""
"4037806","9.6432","0.0005","12.4568","0.0006","14.2518","0.0007","90","","90","","90","","1711.97","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N O -","- C21 H16 Cl N O -","- C84 H64 Cl4 N4 O4 -","4","1","","Xie, Qinxia; Long, Hai-Jiao; Zhang, Qiong-Yin; Tang, Pei; Deng, Jun","Enantioselective Syntheses of 4H-3,1-Benzoxazines via Catalytic Asymmetric Chlorocyclization of o-Vinylanilides.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b02395","","","0.71073","MoKα","","0.0628","0.0438","","","0.0879","0.0989","","","","","","1.07","","","","has coordinates","246788","2020-10-21","18:00:00",""
"4037817","4.2319","0.0003","14.2453","0.0009","19.5737","0.0012","90","","90","","90","","1179.99","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 F N2 O2 -","- C13 H13 F N2 O2 -","- C52 H52 F4 N8 O8 -","4","1","","Wang, Rongkang; Ding, Tianqi; Jiang, Lvqi; He, Wujuan; Yi, Wenbin","Fluoromethoxymethylation of Nitrogen Heterocyclic Compounds with Fluoromethyl Iodide.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03193","","","0.71073","MoKα","","0.0384","0.0342","","","0.0886","0.0909","","","","","","1.055","","","","has coordinates","246845","2020-10-21","18:00:00",""
"4037818","6.5997","0.0003","7.7561","0.0004","21.4326","0.001","90","","90","","90","","1097.09","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Li, Dazhi; Liang, Ce; Jiang, Zaixing; Zhang, JunZheng; Zhuo, Wang-Tao; Zou, Fan-Yue; Wang, Wan-Peng; Gao, Guo-Lin; Song, Jinzhu","Visible-Light Promoted C2 Selective Arylation of Quinoline and Pyridine N-Oxides with Diaryliodonium Tetrafluoroborate.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02933","","x-ray","0.71073","MoKα","","0.0686","0.0475","","","0.0963","0.1113","","","","","","1.05","","","","has coordinates","246887","2020-10-21","18:00:00",""
"4037824","11.0736","0.0009","14.0744","0.0011","17.649","0.0013","90","","90","","90","","2750.7","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 Br N4 O2 S -","- C32 H21 Br N4 O2 S -","- C128 H84 Br4 N16 O8 S4 -","4","1","","Banerjee, Sonbidya; Vivek Kumar, Sundaravel; Punniyamurthy, Tharmalingam","Site-Selective Rh-Catalyzed C-7 and C-6 Dual C-H Functionalization of Indolines: Synthesis of Functionalized Pyrrolocarbazoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03180","","","0.71073","MoKα","","0.1132","0.0416","","","0.0828","0.0984","","","","","","0.835","","","","has coordinates","287943","2023-12-01","18:00:39",""
"4037871","10.6343","0.0005","11.7382","0.0005","20.6645","0.001","90","","90","","90","","2579.5","0.2","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Br F3 N2 O3 -","- C29 H26 Br F3 N2 O3 -","- C116 H104 Br4 F12 N8 O12 -","4","1","","Joshi, Harshit; Yadav, Ankit; Das, Arko; Singh, Vinod K.","Organocatalytic Asymmetric Hetero-Diels-Alder Reaction of in-situ Generated Dienes: Access to α,β-Unsaturated δ-Lactones Featuring CF3-Substituted Quaternary Stereocenter.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03076","","x-ray","0.71073","MoKα","","0.0375","0.0292","","","0.0636","0.0688","","","","","","1.064","","","","has coordinates","247325","2020-10-21","18:00:00",""
"4037893","4.908","0.0002","14.0311","0.0005","18.5729","0.0006","90","","90","","90","","1279.02","0.08","170","2","169.96","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br N2 O S -","- C14 H9 Br N2 O S -","- C56 H36 Br4 N8 O4 S4 -","4","1","","Yang, Xiang; Yang, Qi-Liang; Wang, Xiang-Yang; Xu, Haohan; Mei, Tian-Sheng; Huang, Yan; Fang, Ping","Copper-Catalyzed Electrochemical Selective Bromination Of 8-Aminoquinoline Amide Using NH4Br as the Brominating Reagent.","The Journal of organic chemistry","2019","","","","","10.1021/acs.joc.9b03223","","","1.34139","GaKα","","0.0325","0.0303","","","0.073","0.0748","","","","","","1.063","","","","has coordinates,has disorder","247921","2020-10-21","18:00:00",""
"4037905","5.8031","0.0006","11.3443","0.0009","22.168","0.003","90","","90","","90","","1459.4","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-methoxy-N-(3-methyl-2,5-dioxopiperazin-1-yl)benzamide","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","","Rahim, Abdur; Sahariah, Biswajit; Baruah, Kalpita; Deka, Jugal Kishore Rai; Sarma, Bani Kanta","Solid-phase Synthesis of Hybrid 2,5-Diketopiperazines Using Acylhydrazide, Carbazate, Semicarbazide, Amino Acid and Primary Amine Submonomers.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b02083","","","0.71073","MoKα","","0.0933","0.0548","","","0.1391","0.1728","","","","","","0.885","","","","has coordinates","248054","2020-10-21","18:00:00",""
"4037937","5.9601","0.0002","17.5009","0.0006","29.1554","0.0008","90","","90","","90","","3041.12","0.17","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 F2 N O6 S -","- C31 H43 F2 N O6 S -","- C124 H172 F8 N4 O24 S4 -","4","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0624","0.0594","","","0.1648","0.169","","","","","","1.072","","","","has coordinates","248241","2020-10-21","18:00:00",""
"4037938","5.8864","0.0002","17.578","0.0004","29.0647","0.0007","90","","90","","90","","3007.36","0.14","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 F5 N O6 S -","- C28 H40 F5 N O6 S -","- C112 H160 F20 N4 O24 S4 -","4","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0277","0.0267","","","0.0669","0.0675","","","","","","1.063","","","","has coordinates","248242","2020-10-21","18:00:00",""
"4037941","9.0479","0.0002","17.6034","0.0005","19.2922","0.0005","90","","90","","90","","3072.74","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 N3 O5 S -","- C30 H47 N3 O5 S -","- C120 H188 N12 O20 S4 -","4","1","","Nicolaou, K. C.; Shelke, Yogesh G.; Dherange, Balu D.; Kempema, Aaron; Lin, Baiwei; Gu, Christine; Sandoval, Joseph; Hammond, Mikhail; Aujay, Monette; Gavrilyuk, Julia","Design, Synthesis, and Biological Investigation of Epothilone B Analogues Featuring Lactone, Lactam, and Carbocyclic Macrocycles, Epoxide, Aziridine, and 1,1-Difluorocyclopropane and Other Fluorine Residues","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00123","","x-ray","1.54178","CuKα","","0.0313","0.0298","","","0.0748","0.0759","","","","","","1.034","","","","has coordinates","248245","2020-10-21","18:00:00",""
"4037945","10.60302","0.00019","10.85734","0.00019","24.9687","0.0004","90","","90","","90","","2874.41","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 F N3 O5 -","- C28 H32 F N3 O5 -","- C112 H128 F4 N12 O20 -","4","1","","Li, Zhanhuan; Peng, Jingyi; He, Chonglong; Xu, Jianfeng; Ren, Hongjun","Squaramide-Catalyzed Asymmetric Mannich Reactions of Azlactones with Isatin-Derived Ketimines: Access to α,β-Diamino Acid Derivatives Bearing Vicinal Quaternary Stereocenters.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03000","","","1.54184","CuKα","","0.0398","0.039","","","0.1089","0.1102","","","","","","1.022","","","","has coordinates","248298","2020-10-21","18:00:00",""
"4037953","9.0783","0.0002","10.2205","0.0002","25.0955","0.0004","90","","90","","90","","2328.48","0.08","170","2","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br2 N2 O4 S -","- C24 H18 Br2 N2 O4 S -","- C96 H72 Br8 N8 O16 S4 -","4","1","","Luo, Mupeng; Zhu, Xinlei; Liu, Rufeng; Yu, Shunming; Wei, Wanguo","FeCl3-Promoted Annulation of 2-haloindoles: Switchable Synthesis of Spirooxindole-chromeno[2,3-b]indoles and Spirooxindole-chromeno[3,2-b]indoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03300","","","1.34139","GaKα","","0.0361","0.0331","","","0.0758","0.0778","","","","","","1.062","","","","has coordinates","248387","2020-10-21","18:00:00",""
"4037960","10.75286","0.00007","10.8363","0.00007","41.113","0.0003","90","","90","","90","","4790.54","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O7 -","- C27 H26 N2 O7 -","- C216 H208 N16 O56 -","8","2","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.0242","0.0238","","","0.0603","0.0605","","","","","","1.021","","","","has coordinates","248464","2020-10-21","18:00:00",""
"4037963","5.9124","0.00008","6.26542","0.00006","40.767","0.0004","90","","90","","90","","1510.16","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","Köllmann, Christoph; Sake, Svenja M.; Jones, Peter G.; Pietschmann, Thomas; Werz, Daniel B.","Protecting-Group-Mediated Diastereoselective Synthesis of C4'-Methylated Uridine Analogs and their Activity against the Human Respiratory Syncytial Virus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03425","","","1.54184","CuKα","","0.0254","0.0248","","","0.0626","0.063","","","","","","1.042","","","","has coordinates","248467","2020-10-21","18:00:00",""
"4037964","10.8256","0.0014","12.8053","0.0016","19.32","0.003","90","","90","","90","","2678.2","0.6","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 O5 P W -","- C25 H31 O5 P W -","- C100 H124 O20 P4 W4 -","4","1","","Tendyck, Jonas C.; Klöcker, Hans; Schürmann, Lina; Würthwein, Ernst-Ulrich; Hepp, Alexander; Layh, Marcus; Uhl, Werner","Aspects of phosphaallene chemistry - heat induced formation of 1,2-dihydrophosphetes by intramolecular nucleophilic aromatic substitution and photochemical generation of tricyclic phosphiranes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03056","","","0.71073","MoKα","","0.0422","0.031","","","0.0581","0.0609","","","","","","1.01","","","","has coordinates","248502","2020-10-21","18:00:00",""
"4037986","8.4335","0.001","17.4528","0.0018","17.6982","0.0013","90","","90","","90","","2605","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C120 H128 N16 O8 -","8","2","","Huang, Fei; Wu, Ping; Yu, Zhengkun","Copper(II)-Mediated Intramolecular Cyclopropanation of Ketene N,X-Acetals (X = S, O, N) under Mild Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00093","","","0.71073","MoKα","","0.0675","0.0468","","","0.0976","0.1095","","","","","","1.059","","","","has coordinates,has disorder","248507","2020-10-21","18:00:00",""
"4037997","9.5993","0.0011","10.1443","0.0011","22.025","0.004","90","","90","","90","","2144.8","0.5","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 I N O4 S -","- C23 H22 I N O4 S -","- C92 H88 I4 N4 O16 S4 -","4","1","","He, Min; Chen, Nuan; Liu, Lala; Zhu, Yuqi; Li, Qing; Li, Hongguang; Lang, Ming; Wang, Jian; Peng, Shiyong","Synthesis of 3-Azabicyclo[m.2.0] Ring Systems via Copper-Catalyzed Cascade Reaction of Diazo Compounds with 1,n-Allenynes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00149","","x-ray","0.71073","MoKα","","0.0555","0.0488","","","0.0853","0.0887","","","","","","1.082","","","","has coordinates","248670","2020-10-21","18:00:00",""
"4038035","5.312","0.002","11.535","0.005","13.242","0.006","90","","90","","90","","811.4","0.6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","1","","Hocine, Sofiane; Berger, Gilles; Hanessian, Stephen","Design and Synthesis of Backbone-Fused, Conformationally Constrained Morpholine-Proline Chimeras.","The Journal of organic chemistry","2020","85","6","4237","4247","10.1021/acs.joc.9b03413","","x-ray","1.54178","CuKα","","0.1054","0.0649","","","0.1316","0.1579","","","","","","0.911","","","","has coordinates","250094","2020-10-21","18:00:00",""
"4038049","4.8637","0.0001","11.1251","0.0003","15.4131","0.0004","90","","90","","90","","833.99","0.04","100","2","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 N2 O4 -","- C7 H10 N2 O4 -","- C28 H40 N8 O16 -","4","1","","Elbatrawi, Yassin M.; Pedretty, Kyle P.; Giddings, Nicole; Woodcock, H. Lee; Del Valle, Juan R.","δ-Azaproline and its oxidized variants.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03384","","","1.54178","CuKα","","0.0286","0.0274","","","0.0634","0.0641","","","","","","1.079","","","","has coordinates","249212","2020-10-21","18:00:00",""
"4038053","7.532","0.007","9.197","0.009","22.1","0.02","90","","90","","90","","1531","2","273","2","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 F3 N2 O2 S -","- C17 H13 F3 N2 O2 S -","- C68 H52 F12 N8 O8 S4 -","4","1","","Wang, Wei; Xiong, Wenhui; Wang, Jinping; Wang, Qiu-An; Yang, Wen","Brønsted Acid-Catalyzed Asymmetric Friedel-Crafts Alkylation of Indoles with Benzothiazole-Bearing Trifluoromethyl Ketone Hydrates.","The Journal of organic chemistry","2020","85","6","4398","4407","10.1021/acs.joc.0c00116","","","0.71073","MoKα","","0.0535","0.0414","","","0.0873","0.0929","","","","","","1.082","","","","has coordinates","250093","2020-10-21","18:00:00",""
"4038060","9.2848","0.0001","10.9249","0.0002","23.5739","0.0004","90","","90","","90","","2391.23","0.07","140","0.5","140","0.5","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Fe N O P -","- C29 H30 Fe N O P -","- C116 H120 Fe4 N4 O4 P4 -","4","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher John","Stereoselective Synthesis of all Possible Phosferrox Ligand Diastereoisomers Displaying Three Elements of Chirality: Stereochemical Optimization for Asymmetric Catalysis.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03342","","","0.71073","Mo-Kα","","0.0267","0.0255","","","0.0638","0.0643","","","","","","1.105","","","","has coordinates","249373","2020-10-21","18:00:00",""
"4038090","8.674","0.001","11.5004","0.0013","23.904","0.003","90","","90","","90","","2384.5","0.5","150","2","150.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 O6 -","- C25 H40 O6 -","- C100 H160 O24 -","4","1","","Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei","Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol.","The Journal of organic chemistry","2020","85","7","4813","4837","10.1021/acs.joc.0c00022","","","0.71073","MoKα","","0.0617","0.0383","","","0.0977","0.1138","","","","","","0.676","","","","has coordinates","250108","2020-10-21","18:00:00",""
"4038102","6.6488","0.0003","9.8314","0.0005","11.561","0.0006","90","","90","","90","","755.71","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 N O2 S -","- C6 H11 N O2 S -","- C24 H44 N4 O8 S4 -","4","1","","Blahun, Oleksandr P.; Rozhenko, Alexander B.; Rusanov, Eduard; Zhersh, Serhii; Tolmachev, Andrey A.; Volochnyuk, Dmitriy M.; Grygorenko, Oleksandr O.","Twisting and turning the sulfonamide bond: synthetic, quantum chemical and crystallographic study.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03394","","","0.71073","MoKα","","0.0803","0.0451","","","0.089","0.1014","","","","","","0.923","","","","has coordinates,has disorder","249680","2020-10-21","18:00:00",""
"4038108","6.1955","0.0002","13.6351","0.0005","17.2061","0.0006","90","","90","","90","","1453.51","0.09","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 O6 P -","- C14 H17 O6 P -","- C56 H68 O24 P4 -","4","1","","Hernández-Guerra, Daniel; Kennedy, Alan R.; León, Elisa I; Martín, Ángeles; Pérez-Martín, Inés; Rodríguez, María S; Suárez, Ernesto","Synthetic Approaches to Phosphasugars (2-oxo-1,2-oxaphosphacyclanes) Using the Anomeric Alkoxyl Radical β-Fragmentation Reaction as the Key Step.","The Journal of organic chemistry","2020","85","7","4861","4880","10.1021/acs.joc.0c00059","","","0.71073","MoKα","","0.0637","0.046","","","0.0826","0.0897","","","","","","1.019","","","","has coordinates","250102","2020-10-21","18:00:00",""
"4038122","13.845","0.005","13.921","0.005","18.938","0.007","90","","90","","90","","3650","2","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H14 O4 -","- C25 H14 O4 -","- C200 H112 O32 -","8","2","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0506","0.0404","","","0.0794","0.0839","","","","","","1.074","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038124","5.3479","0.0008","17.257","0.003","28.107","0.004","90","","90","","90","","2594","0.7","100","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H20 Cl2 O4 -","- C34 H20 Cl2 O4 -","- C136 H80 Cl8 O16 -","4","1","","Wössner, Jan S; Esser, Birgit","Spiroconjugated Donor-σ-Acceptor Charge-Transfer Dyes: Effect of the π-Subsystems on the Optoelectronic Properties.","The Journal of organic chemistry","2020","85","7","5048","5057","10.1021/acs.joc.0c00567","","x-ray","0.71073","MoKα","","0.0612","0.0496","","","0.1251","0.1312","","","","","","1.039","","","","has coordinates","250097","2020-10-21","18:00:00",""
"4038136","16.6762","0.0008","15.5082","0.0006","6.1829","0.0001","90","","90","","90","","1599.01","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Banjare, Shyam Kumar; Biswal, Pragati; Ravikumar, Ponneri Chandrababu","Cobalt-Catalyzed One-Step Access to Pyroquilon and C-7 Alkenylation of Indoline with Activated Alkenes Using Weakly Coordinating Functional Group.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00023","","x-ray","1.54184","CuKα","","0.1039","0.0795","","","0.1977","0.2221","","","","","","1.02","","","","has coordinates","249800","2020-10-21","18:00:00",""
"4038149","7.6871","0.0017","13.649","0.003","25.234","0.005","90","","90","","90","","2647.6","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","19091z","","","- C30 H24 Br2 N2 O4 S -","- C30 H24 Br2 N2 O4 S -","- C120 H96 Br8 N8 O16 S4 -","4","1","","Noland, Wayland E.; Kumar, Honnaiah Vijay; Reddi, Yernaidu; Cramer, Christopher J.; Novikov, Alexei V.; Kim, Hyejin; Zhu, Yumeng; Chin, Yoke Ching; Zhou, Yuqi; Radakovic, Predrag; Uprety, Anjola; Xie, Jun; Flick, Grant C.","Diels-Alder/Ene Reactivities of 2-(1´-Cycloalkenyl)thiophenes and 2-(1´-Cycloalkenyl)benzo[b]thiophenes with N-Phenylmaleimides: Role of Cycloalkene Ring Size on Benzothiophene and Dibenzothiophene Product Distributions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03363","","","0.71073","MoKα","","0.0669","0.0566","","","0.1391","0.1459","","","","","","1.073","","","","has coordinates","249884","2020-10-21","18:00:00",""
"4038170","6.947","0.0003","14.4082","0.0007","15.4652","0.0007","90","","90","","90","","1547.97","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O4 S2 -","- C12 H18 N2 O4 S2 -","- C48 H72 N8 O16 S8 -","4","1","","Zhang, Zhenming; Fu, Bei; Wang, Hui; Chen, Han; Tu, Yongliang; Zhao, Junfeng","Access to (Z)-1,2-Endiamides and 1,1-Endiamides via a Base-Promoted Tandem Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03305","","x-ray","0.71073","MoKα","","0.0398","0.0353","","","0.0813","0.0836","","","","","","1.066","","","","has coordinates","249981","2020-10-21","18:00:00",""
"4038176","14.4047","0.0003","15.9977","0.0003","19.8734","0.0004","90","","90","","90","","4579.67","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O4 -","- C29 H26 O4 -","- C232 H208 O32 -","8","2","","Feng, Shubo; Yang, Binmiao; Chen, Tao; Wang, Ran; Deng, Yu-Hua; Shao, ZhiHui","Catalytic Asymmetric [4+2]-Cycloaddition of Ortho-Alkenyl Naphthols/Phenols with Ortho-Quinone Methides: Highly Stereoselective Synthesis of Chiral 2,3,4-Trisubstituted Chromans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03302","","","1.54178","CuKα","","0.0284","0.0279","","","0.07","0.0703","","","","","","1.049","","","","has coordinates,has disorder","250016","2020-10-21","18:00:00",""
"4038177","9.3826","0.0005","10.2522","0.0005","24.9343","0.0013","90","","90","","90","","2398.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 O3 -","- C32 H26 O3 -","- C128 H104 O12 -","4","1","","Feng, Shubo; Yang, Binmiao; Chen, Tao; Wang, Ran; Deng, Yu-Hua; Shao, ZhiHui","Catalytic Asymmetric [4+2]-Cycloaddition of Ortho-Alkenyl Naphthols/Phenols with Ortho-Quinone Methides: Highly Stereoselective Synthesis of Chiral 2,3,4-Trisubstituted Chromans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03302","","","1.54178","CuKα","","0.0404","0.0403","","","0.1326","0.1335","","","","","","1.222","","","","has coordinates","250017","2020-10-21","18:00:00",""
"4038178","9.8835","0.0005","10.0544","0.0005","23.4202","0.0012","90","","90","","90","","2327.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 F O3 -","- C32 H25 F O3 -","- C128 H100 F4 O12 -","4","1","","Feng, Shubo; Yang, Binmiao; Chen, Tao; Wang, Ran; Deng, Yu-Hua; Shao, ZhiHui","Catalytic Asymmetric [4+2]-Cycloaddition of Ortho-Alkenyl Naphthols/Phenols with Ortho-Quinone Methides: Highly Stereoselective Synthesis of Chiral 2,3,4-Trisubstituted Chromans.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03302","","","1.54178","CuKα","","0.0736","0.0633","","","0.1893","0.199","","","","","","1.846","","","","has coordinates","250018","2020-10-21","18:00:00",""
"4038193","9.4501","0.0003","9.7777","0.0003","23.5886","0.0008","90","","90","","90","","2179.59","0.12","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C104 H96 N8 O12 -","4","1","","Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An","Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00436","","","1.54178","CuKα","","0.046","0.043","","","0.1172","0.1202","","","","","","1.009","","","","has coordinates","250421","2020-10-21","18:00:00",""
"4038195","8.6867","0.0002","15.1223","0.0003","16.0874","0.0003","90","","90","","90","","2113.29","0.08","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O3 -","- C26 H24 N2 O3 -","- C104 H96 N8 O12 -","4","1","","Zhang, Yue; Li, Jun-Kuan; Zhang, Fa-Guang; Ma, Jun-An","Catalytic Asymmetric Access to Noncanonical Chiral α-Amino Acids from Cyclic Iminoglyoxylates and Enamides.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00436","","","1.54178","CuKα","","0.0483","0.0432","","","0.0872","0.0907","","","","","","1.125","","","","has coordinates","250423","2020-10-21","18:00:00",""
"4038223","6.6852","0.0007","15.879","0.0018","17.665","0.004","90","","90","","90","","1875.2","0.5","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Br N O3 -","- C22 H16 Br N O3 -","- C88 H64 Br4 N4 O12 -","4","1","","Liu, Renzhi; Yang, Min; Xie, Wenlin; Dong, Wenbi; Zhou, Hongwei; Yadav, Sarita; Potkin, Vladimir Ivanovich; Qiu, Guanyinsheng","Synthesis of 3-Hydroxyisoindolin-1-ones Through 1, 4-Dioxane-Mediated Hydroxylhydrative aza-Cyclization of 2-Alkynylbenzamide in Water.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03466","","x-ray","0.71073","MoKα","","0.1651","0.0701","","","0.1417","0.1905","","","","","","1.016","","","","has coordinates","250461","2020-10-21","18:00:00",""
"4038251","5.9208","0.001","7.7879","0.0013","12.68","0.002","90","","90","","90","","584.68","0.17","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 Br2 N2 O2 -","- C2 Br2 N2 O2 -","- C8 Br8 N8 O8 -","4","1","","Matsubara, Ryosuke; Ando, Akihiro; Hasebe, Hayu; Kim, Hojin; Tsuneda, Takao; Hayashi, Masahiko","Synthesis and Synthetic Application of Chloro- and Bromofuroxans.","The Journal of organic chemistry","2020","85","9","5959","5972","10.1021/acs.joc.0c00326","","","0.71069","MoKα","","","0.0273","","","","0.0646","","","","","","0.477","","","","has coordinates","251478","2020-10-21","18:00:00",""
"4038269","8.6708","0.0015","11.5329","0.0018","17.874","0.003","90","","90","","90","","1787.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","tert-butyl (3S,3aS,6R,6aR)-3-(benzyloxy)-6-hydroxyhexahydro-4H-furo[3,2-b]pyrrole-4-carboxylate","","- C18 H25 N O5 -","- C18 H25 N O5 -","- C72 H100 N4 O20 -","4","1","","Castán, Alejandro; Badorrey, Ramón; Díez, José A; Christoffersen, Claus T.; Rasmussen, Lars K.; Kehler, Jan; Köhler, Ralf; Gálvez, José A; Díaz-de-Villegas, María D","Debenzylative Cycloetherification as a Synthetic Tool in the Diastereoselective Synthesis of 3,6-Disubstituted Hexahydro-2<i>H</i>-furo[3,2-<i>b</i>]pyrroles, PDE1 Enzyme Inhibitors with an Antiproliferative Effect on Melanoma Cells.","The Journal of organic chemistry","2020","85","9","5941","5951","10.1021/acs.joc.0c00276","","","0.71073","MoKα","","0.072","0.0508","","","0.116","0.1266","","","","","","1.152","","","","has coordinates","251476","2020-10-21","18:00:00",""
"4038270","6.3466","0.00018","12.0072","0.0003","24.5409","0.0007","90","","90","","90","","1870.14","0.09","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 D2 F N O8 P -","- C12 H25 D2 F N O8 P -","- C48 H100 D8 F4 N4 O32 P4 -","4","1","","Kaźmierczak, Marcin; Koroniak, Henryk","Efficient synthesis of dipeptide analogues of α-fluorinated β-aminophosphonates.","Beilstein journal of organic chemistry","2020","16","","756","762","10.3762/bjoc.16.69","","x-ray","0.71073","MoKα","","0.0484","0.0406","","","0.0727","0.0753","","","","","","1.056","","","","has coordinates","251801","2020-10-21","18:00:00",""
"4038282","6.0964","0.0002","10.1676","0.0003","19.2632","0.0007","90","","90","","90","","1194.04","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Carlson, Angela S.; Liu, En-Chih; Topczewski, Joseph J.","A Cascade Reaction of Cinnamyl Azides with Acrylates Directly Generates Tetrahydro-Pyrrolo-Pyrazole Heterocycles.","The Journal of organic chemistry","2020","85","9","6044","6059","10.1021/acs.joc.0c00535","","","0.71073","MoKα","","0.0448","0.0384","","","0.1016","0.1073","","","","","","0.947","","","","has coordinates","251485","2020-10-21","18:00:00",""
"4038290","5.68389","0.00006","12.24377","0.00014","33.9789","0.0003","90","","90","","90","","2364.67","0.04","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 N2 O3 -","- C30 H26 N2 O3 -","- C120 H104 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0377","0.0333","","","0.0772","0.0801","","","","","","1.064","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038294","7.5111","0.0001","10.0145","0.0001","34.4974","0.0005","90","","90","","90","","2594.89","0.06","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cl2 Fe N2 O3 -","- C30 H26 Cl2 Fe N2 O3 -","- C120 H104 Cl8 Fe4 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.054","0.0423","","","0.08","0.0837","","","","","","1.07","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038296","7.5248","0.0002","9.9876","0.0003","34.3832","0.0008","90","","90","","90","","2584.06","0.12","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cl2 Co N2 O3 -","- C30 H26 Cl2 Co N2 O3 -","- C120 H104 Cl8 Co4 N8 O12 -","4","1","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","0.71073","MoKα","K-L~2,3~","0.0831","0.046","","","0.0692","0.0743","","","","","","0.841","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038297","13.5371","0.0002","14.1319","0.0002","28.1192","0.0005","90","","90","","90","","5379.34","0.15","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27.5 H34 Cl2 Co N2 O3 -","- C27.5 H34 Cl2 Co N2 O3 -","- C220 H272 Cl16 Co8 N16 O24 -","8","2","","Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.","Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00751","","x-ray","1.54184","CuKα","K-L~2,3~","0.0494","0.0379","","","0.0851","0.0913","","","","","","1.049","","","","has coordinates","251111","2020-10-21","18:00:00",""
"4038327","6.0732","0.0013","11.111","0.002","29.291","0.006","90","","90","","90","","1976.5","0.7","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-fluoro-2,3-diphenylpent-4-en-2-yl 4-nitrobenzoate","","- C24 H20 F N O4 -","- C24 H20 F N O4 -","- C96 H80 F4 N4 O16 -","4","1","","Novikov, Maxim A.; Bobrova, Angelina; Mezentsev, Igor; Medvedev, Michael G.; Tomilov, Yury V.","(2-Fluoroallyl)boration of ketones with (2-fluoroallyl)boronates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03445","","","0.71073","MoKα","","0.1135","0.0554","","","0.1004","0.1233","","","","","","0.979","","","","has coordinates","251782","2020-10-21","18:00:00",""
"4038329","5.4777","0.0001","8.3194","0.0002","25.6879","0.0005","90","","90","","90","","1170.63","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Schnitzer, Tobias; Wennemers, Helma","Deactivation of Secondary Amine Catalysts via Aldol Reaction-Amine Catalysis under Solvent-Free Conditions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00665","","x-ray","1.54184","CuKα","","0.0352","0.0335","","","0.0834","0.0844","","","","","","1.077","","","","has coordinates","251819","2020-10-21","18:00:00",""
"4038330","10.4303","0.0006","11.5237","0.0006","23.1881","0.0012","90","","90","","90","","2787.1","0.3","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C132 H160 O16 -","4","1","","Chen, Yu; Xue, Qing; Teng, Haida; Qin, Rui; Liu, Hong; Xu, Jing; Mei, Zhinan; Yang, Guangzhong","Acylphloroglucinol Derivatives with Tricyclo-[4.4.1.11,4] Dodecane Skeleton from Garcinia bracteata Fruits.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00637","","","1.54178","CuKα","","0.0345","0.0325","","","0.0779","0.0794","","","","","","1.041","","","","has coordinates","251820","2020-10-21","18:00:00",""
"4038337","8.234","0.0002","12.4121","0.0004","16.2533","0.0005","90","","90","","90","","1661.11","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O -","- C20 H27 N O -","- C80 H108 N4 O4 -","4","1","","Taeufer, Tobias; Pospech, Jola","Palladium-Catalyzed Synthesis of <i>N</i>,<i>N-</i>Dimethylanilines via Buchwald-Hartwig Amination of (Hetero)aryl Triflates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00491","","","1.54178","CuKα","","0.0453","0.0442","","","0.1217","0.1234","","","","","","1.052","","","","has coordinates","251933","2020-10-21","18:00:00",""
"4038356","11.2212","0.0002","11.8966","0.0002","14.6501","0.0002","90","","90","","90","","1955.7","0.05","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 Cl5 N2 Pd -","- C15 H27 Cl5 N2 Pd -","- C60 H108 Cl20 N8 Pd4 -","4","1","","Higgins, Tyler; Winkler, Jeffrey D.","Synthesis and Applications of the C2-Symmetrical Diamine, 2,7-diazabicyclo[4.4.1]undecane.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00829","","","0.71073","MoKα","","0.0204","0.0182","","","0.0375","0.0381","","","","","","1.036","","","","has coordinates","252026","2020-10-21","18:00:00",""
"4038430","6.0173","0.0002","16.885","0.0005","17.2658","0.0005","90","","90","","90","","1754.24","0.09","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Sicignano, Marina; Schettini, Rosaria; Pierri, Giovanni; Marino, Maria Leda; Izzo, Irene; De Riccardis, Francesco; Bernardi, Luca; Sala, Giorgio Della","An Entry to Enantioenriched 3,3-Disubstituted Phthalides through Asymmetric Phase-Transfer-Catalyzed γ-Alkylation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00880","","","1.54178","CuKα","","0.0355","0.0343","","","0.0888","0.0898","","","","","","1.058","","","","has coordinates","252448","2020-10-21","18:00:00",""
"4038437","15.445","0.003","16.11","0.004","16.603","0.004","90","","90","","90","","4131.1","1.6","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H63 N3 P2 Si8 -","- C23 H63 N3 P2 Si8 -","- C92 H252 N12 P8 Si32 -","4","1","","Beer, Henrik; Bresien, Jonas; Michalik, Dirk; Rölke, Anne-Kristin; Schulz, Axel; Villinger, Alexander; Wustrack, Ronald","Heterocyclopentanediyls vs Heterocyclopentadienes: A Question of Silyl Group Migration.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00460","","","0.71073","MoKα","","0.089","0.0496","","","0.1092","0.1167","","","","","","0.832","","","","has coordinates","252504","2020-10-21","18:00:00",""
"4038463","7.49","0.002","13.833","0.004","18.496","0.005","90","","90","","90","","1916.4","0.9","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H18 N O4 -","- C27 H18 O4 -","- C108 H72 O16 -","4","1","","Kamble, Siddharth B.; Maliekal, Parimal J.; Dharpure, Pankaj D.; Badani, Purav M.; Karnik, Anil V.","Synthesis of Concave and Vaulted 2<i>H</i>-Pyran-Fused BINOLs and Corresponding [5] and [7]-Oxa-helicenoids: Regioselective Cascade-Concerted Route and DFT Studies.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00363","","","0.71073","MoKα","","0.0752","0.048","","","0.1031","0.1174","","","","","","1.018","","","","has coordinates","252951","2020-10-21","18:00:00",""
"4038468","6.043","0.002","7.662","0.002","27.127","0.008","90","","90","","90","","1256","0.6","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O5 S2 -","- C11 H13 N O5 S2 -","- C44 H52 N4 O20 S8 -","4","1","","Furuya, Shohei; Kanemoto, Kazuya; Fukuzawa, Shin-Ichi","Copper-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Imino Esters to Unsaturated Sultones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01023","","","0.71075","MoKα","","0.0675","0.0574","","","0.147","0.1577","","","","","","1.05","","","","has coordinates","253042","2020-10-21","18:00:00",""
"4038469","8.5122","0.0015","9.4305","0.0015","20.019","0.004","90","","90","","90","","1607","0.5","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O5 S2 -","- C16 H15 N O5 S2 -","- C64 H60 N4 O20 S8 -","4","1","","Furuya, Shohei; Kanemoto, Kazuya; Fukuzawa, Shin-Ichi","Copper-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition of Imino Esters to Unsaturated Sultones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01023","","","0.71075","MoKα","","0.0535","0.0461","","","0.1136","0.1241","","","","","","1.047","","","","has coordinates","253043","2020-10-21","18:00:00",""
"4038499","11.0046","0.0004","11.4721","0.0004","15.6538","0.0004","90","","90","","90","","1976.23","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br O4 S -","- C22 H19 Br O4 S -","- C88 H76 Br4 O16 S4 -","4","1","","Formánek, Bedřich; Tauchman, Jiří; Císařová, Ivana; Veselý, Jan","Access to Spirocyclic Benzothiophenones with Multiple Stereocenters via an Organocatalytic Cascade Reaction.","The Journal of organic chemistry","2020","85","13","8510","8521","10.1021/acs.joc.0c00882","","","0.71073","MoKα","","0.0197","0.0182","","","0.0439","0.0445","","","","","","1.084","","","","has coordinates","253739","2020-10-21","18:00:00",""
"4038508","7.2414","0.0008","8.1329","0.0008","18.752","0.003","90","","90","","90","","1104.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Gao, Shenghua; Gao, Xuezhi; Wu, Zenong; Li, Houyong; Yang, Zhezhou; Zhang, Fuli","Process for (<i>S</i>)-Ketamine and (<i>S</i>)-Norketamine via Resolution Combined with Racemization.","The Journal of organic chemistry","2020","85","13","8656","8664","10.1021/acs.joc.0c01090","","","0.71073","MoKα","","0.0306","0.0279","","","0.0673","0.0692","","","","","","1.047","","","","has coordinates","253731","2020-10-21","18:00:00",""
"4038511","9.656","0.002","14.574","0.004","17.635","0.004","90","","90","","90","","2481.7","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 B Br2 F2 N3 -","- C24 H26 B Br2 F2 N3 -","- C96 H104 B4 Br8 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0805","0.0458","","","0.1017","0.1172","","","","","","1.027","","","","has coordinates","253735","2020-10-21","18:00:00",""
"4038514","8.7637","0.0003","17.0551","0.0007","20.6021","0.0009","90","","90","","90","","3079.3","0.2","298.15","","298.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 B Br2 Cl F2 N3 -","- C30 H29 B Br2 Cl F2 N3 -","- C120 H116 B4 Br8 Cl4 F8 N12 -","4","1","","Wang, Dandan; Guo, Xing; Wu, Hao; Wu, Qinghua; Wang, Hua; Zhang, Xiankang; Hao, Erhong; Jiao, Lijuan","Visible Light Excitation of BODIPYs Enables Dehydrogenative Enamination at Their α-Positions with Aliphatic Amines.","The Journal of organic chemistry","2020","85","13","8360","8370","10.1021/acs.joc.0c00620","","","0.71073","MoKα","","0.0815","0.0574","","","0.1435","0.1622","","","","","","1.051","","","","has coordinates,has disorder","253735","2020-10-21","18:00:00",""
"4038520","15.5188","0.001","21.4989","0.0013","7.5658","0.0005","90","","90","","90","","2524.2","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Br N2 O2 -","- C31 H27 Br N2 O2 -","- C124 H108 Br4 N8 O8 -","4","1","","Tejeneki, Hossein Zahedian; Nikbakht, Ali; Balalaie, Saeed; Rominger, Frank","Regio- and Diastereoselective Indium-Catalyzed Conia-Ene Reaction of <i>ortho</i>-Alkynyl Diketopiperazines to Access Fused Diketopiperazinoindolines.","The Journal of organic chemistry","2020","85","13","8544","8552","10.1021/acs.joc.0c00895","","","1.54178","CuKα","","0.1195","0.0583","","","0.1227","0.1477","","","","","","0.991","","","","has coordinates,has disorder","253743","2020-10-21","18:00:00",""
"4038524","5.41","0.0011","12.802","0.003","22.803","0.005","90","","90","","90","","1579.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","Xiong, Cheng; Cheng, Kunpeng; Wang, Jiahua; Yang, Fulai; Lu, Jinrong; Zhou, Qingfa","Iodine-Catalyzed Aerobic Oxidation of Spirovinylcyclopropyl Oxindoles to Form Spiro-1,2-dioxolanes Diastereoselectively.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00652","","","0.71073","MoKα","","0.3239","0.0885","","","0.1791","0.267","","","","","","1.012","","","","has coordinates","253453","2020-10-21","18:00:00",""
"4038535","13.6314","0.0004","19.2653","0.0005","14.8884","0.0004","90","","90","","90","","3909.89","0.19","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 F3 I O3 S -","- C20 H14 F3 I O3 S -","- C160 H112 F24 I8 O24 S8 -","8","2","","Caspers, Lucien; Spils, Julian; Damrath, Mattis; Lork, Enno; Nachtsheim, Boris Johannes","One-Pot Synthesis and Conformational Analysis of 6-Membered Cyclic Iodonium Salts.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01125","","x-ray","0.71073","MoKα","","0.0372","0.0266","","","0.0497","0.053","","","","","","1.029","","","","has coordinates","253578","2020-10-21","18:00:00",""
"4038550","9.111","0.00015","10.58534","0.00014","48.0239","0.0007","90","","90","","90","","4631.57","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N4 O4 -","- C26 H22 N4 O4 -","- C208 H176 N32 O32 -","8","2","","Song, Xiang-Jia; Ren, Hong-Xia; Xiang, Min; Li, Chen-Yi; Zou, Ying; Li, Xia; Huang, Zhi-Cheng; Tian, Fang; Wang, Li-Xin","Organocatalytic Enantioselective Michael Addition between 3-(3-hydroxy-1H-pyrazol-1-yl)Oxindole and β-Nitrostyrene for the Preparation of Chiral Di-substituted Oxindoles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.9b03337","","x-ray","1.54184","CuKα","","0.0467","0.0403","","","0.1085","0.1166","","","","","","1.026","","","","has coordinates","254033","2020-10-21","18:00:00",""
"4038575","8.9005","0.0003","15.1026","0.0004","17.357","0.0005","90","","90","","90","","2333.14","0.12","78","2","78","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 O3 P S -","- C27 H27 O3 P S -","- C108 H108 O12 P4 S4 -","4","1","","Kuwabara, Kazuma; Maekawa, Yuuki; Minoura, Mao; Maruyama, Toshifumi; Murai, Toshiaki","Chemo- and Stereoselective Alcoholysis of Binaphthyl Phosphonothioates: Straightforward Access to both Stereoisomers of Biologically Relevant P-Stereogenic Phosphonothioates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00687","","","0.71073","MoKα","","0.0303","0.0286","","","0.0752","0.0768","","","","","","1.057","","","","has coordinates","254250","2020-10-21","18:00:00",""
"4038576","8.9034","0.0017","11.952","0.002","16.993","0.003","90","","90","","90","","1808.3","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 O7 P S -","- C14 H25 O7 P S -","- C56 H100 O28 P4 S4 -","4","1","","Kuwabara, Kazuma; Maekawa, Yuuki; Minoura, Mao; Maruyama, Toshifumi; Murai, Toshiaki","Chemo- and Stereoselective Alcoholysis of Binaphthyl Phosphonothioates: Straightforward Access to both Stereoisomers of Biologically Relevant P-Stereogenic Phosphonothioates.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00687","","","0.4118","synchrotron","","0.0248","0.0247","","","0.0659","0.066","","","","","","1.04","","","","has coordinates","254251","2020-10-21","18:00:00",""
"4038578","10.4936","0.0004","20.3829","0.0009","10.7259","0.0005","90","","90","","90","","2294.16","0.17","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 F8 I2 O4 -","- C18 H12 F8 I2 O4 -","- C72 H48 F32 I8 O16 -","4","1","","Yasumoto, Kento; Kano, Taichi; Maruoka, Keiji","Synthesis of Electron-Deficient Chiral Biphenols and Their Applica-tions in Catalytic Asymmetric Reactions.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01116","","","1.54187","CuKα","","0.0508","0.0436","","","0.1137","0.1225","","","","","","0.83","","","","has coordinates","254253","2020-10-21","18:00:00",""
"4038582","5.9126","0.0003","12.16","0.0006","20.6164","0.001","90","","90","","90","","1482.26","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 O2 P -","- C16 H23 O2 P -","- C64 H92 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","1.54178","CuKα","","0.0272","0.0269","","","0.0722","0.0724","","","","","","1.06","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038583","5.9884","0.0002","13.6655","0.0005","18.8441","0.0007","90","","90","","90","","1542.1","0.1","100","","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 O2 P -","- C16 H23 O2 P -","- C64 H92 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","1.54178","CuKα","","0.0318","0.0301","","","0.076","0.0774","","","","","","1.054","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038585","6.3103","0.0003","12.1035","0.0007","19.3802","0.0011","90","","90","","90","","1480.2","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 O2 P -","- C14 H27 O2 P -","- C56 H108 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","x-ray","0.71073","MoKα","","0.0431","0.0363","","","0.0872","0.0915","","","","","","1.037","","","","has coordinates,has disorder","254325","2020-10-21","18:00:00",""
"4038586","12.164","0.006","17.59","0.008","38.736","0.019","90","","90","","90","","8288","7","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 O2 P -","- C28 H47 O2 P -","- C336 H564 O24 P12 -","12","3","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","","0.71073","MoKα","","0.1022","0.0614","","","0.1149","0.1322","","","","","","1.005","","","","has coordinates","254325","2020-10-21","18:00:00",""
"4038587","5.9712","0.0009","12.238","0.002","22.345","0.004","90","","90","","90","","1632.9","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 O2 P -","- C16 H29 O2 P -","- C64 H116 O8 P4 -","4","1","","Zimmerman, Amber; Xu, Rebecca; Reynolds, Samantha C.; Shipp, Chase; Marshall, Derrick; Wang, Ge; Blank, Natalia F.; Gibbons, Sarah; Hughes, Russell P.; Glueck, David S.; Balaich, Gary James; Rheingold, Arnold L.","Diastereoselective Synthesis of P-Stereogenic Secondary Phosphine Oxides (SPOs) Bearing a Chiral Substituent by Ring Opening of (+)-Limonene Oxide with Primary Phosphido Nucleophiles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00974","","","0.71073","MoKα","","0.0409","0.0365","","","0.0865","0.089","","","","","","1.043","","","","has coordinates,has disorder","254325","2020-10-21","18:00:00",""
"4038590","6.8083","0.0006","15.0243","0.001","34.886","0.002","90","","90","","90","","3568.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 F3 N3 O2 -","- C20 H16 F3 N3 O2 -","- C160 H128 F24 N24 O16 -","8","2","","Zhu, Wen-Jing; Gong, Jun-Fang; Song, Mao-Ping","Synthesis of Chiral Bis(3-indolyl)methanes Bearing a Trifluoromethylated All-Carbon Quaternary Stereocenter via Nickel-Catalyzed Asymmetric Friedel-Crafts Alkylation Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00336","","x-ray","1.54184","CuKα","","0.0582","0.0513","","","0.1395","0.1455","","","","","","1.049","","","","has coordinates","254359","2020-10-21","18:00:00",""
"4038591","10.1231","0.0005","10.3591","0.0006","24.2386","0.0012","90","","90","","90","","2541.8","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 F3 N3 O5 S -","- C27 H22 F3 N3 O5 S -","- C108 H88 F12 N12 O20 S4 -","4","1","","Zhu, Wen-Jing; Gong, Jun-Fang; Song, Mao-Ping","Synthesis of Chiral Bis(3-indolyl)methanes Bearing a Trifluoromethylated All-Carbon Quaternary Stereocenter via Nickel-Catalyzed Asymmetric Friedel-Crafts Alkylation Reaction.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00336","","x-ray","1.54184","CuKα","","0.0494","0.039","","","0.1076","0.1283","","","","","","0.906","","","","has coordinates","254360","2020-10-21","18:00:00",""
"4038592","6.804","0.0011","12.317","0.002","17.084","0.003","90","","90","","90","","1431.7","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C60 H72 N8 O20 -","4","1","","Shatsauskas, Anton L.; Mamonova, Tatyana E.; Stasyuk, Anton J.; Chernenko, Sergey A.; Slepukhin, Pavel A.; Kostyuchenko, Anastasia S.; Fisyuk, Alexander Semenovich","A rearrangement of 7-aryloxazolo[5,4-b]pyridines to benzo[c][1,7]naphthyridine-4(3H)-ones and thieno[3,2-c][1,7]naphthyridine-6(7H)-ones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01299","","","0.71073","MoKα","","0.1614","0.0557","","","0.0982","0.1428","","","","","","0.981","","","","has coordinates","254441","2020-10-21","18:00:00",""
"4038608","5.6895","0.0002","12.5824","0.0005","25.6234","0.001","90","","90","","90","","1834.32","0.12","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 F3 N O6 -","- C18 H22 F3 N O6 -","- C72 H88 F12 N4 O24 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0245","0.0235","","","0.0581","0.0588","","","","","","1.069","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038609","8.6589","0.0002","9.9867","0.0002","20.1991","0.0005","90","","90","","90","","1746.69","0.07","102","2","102","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 F3 N O5 -","- C18 H20 F3 N O5 -","- C72 H80 F12 N4 O20 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0302","0.0284","","","0.0631","0.0641","","","","","","1.082","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038610","8.113","0.005","9.611","0.005","18.867","0.005","90","0.005","90","0.005","90","0.005","1471.1","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N O4 -","- C15 H16 F3 N O4 -","- C60 H64 F12 N4 O16 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0225","0.0221","","","0.0565","0.0569","","","","","","1.08","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038611","8.8728","0.0004","11.3215","0.0005","13.0054","0.0006","90","","90","","90","","1306.44","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 F3 N O6 -","- C10 H16 F3 N O6 -","- C40 H64 F12 N4 O24 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0259","0.0247","","","0.0641","0.0652","","","","","","1.045","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038612","8.26","0.005","10.089","0.005","18.565","0.005","90","0.005","90","0.005","90","0.005","1547.1","1.3","101","2","101","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F3 N O4 -","- C16 H18 F3 N O4 -","- C64 H72 F12 N4 O16 -","4","1","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.0238","0.0233","","","0.0605","0.0612","","","","","","1.043","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038613","10.5277","0.0009","16.5073","0.0015","19.0274","0.0016","90","","90","","90","","3306.7","0.5","100","2","100.02","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 F3 N O3 -","- C16 H14 Cl2 F3 N O3 -","- C128 H112 Cl16 F24 N8 O24 -","8","2","","Ben Jamaa, Abdelkhalek; Latrache, Mohammed; Riguet, Emmanuel; Grellepois, Fabienne","cis-Dihydroxylated α-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00801","","","1.54178","CuKα","","0.035","0.0317","","","0.0682","0.0702","","","","","","1.088","","","","has coordinates","254604","2020-10-21","18:00:00",""
"4038630","13.41972","0.00009","13.53829","0.00009","13.78246","0.00009","90","","90","","90","","2504","0.03","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O5 -","- C28 H38 O5 -","- C112 H152 O20 -","4","1","","Elsayed, Somayah; Genta-Jouve, Gregory; Carrión, Víctor; Nibbering, Peter; Siegler, Maxime A.; de Boer, Wietse; Hankemeier, Thomas; van Wezel, Gilles P.","Atypical Spirotetronate Polyketides Identified in the Under-explored Genus Streptacidiphilus.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01210","","","1.54178","CuKα","","0.0246","0.0245","","","0.0632","0.0633","","","","","","1.053","","","","has coordinates","254708","2020-10-21","18:00:00",""
"4038635","6.3409","0.0002","15.7289","0.0006","21.5122","0.0009","90","","90","","90","","2145.53","0.14","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Br N2 O4 -","- C26 H21 Br N2 O4 -","- C104 H84 Br4 N8 O16 -","4","1","","Ueda, Jun; Harada, Shingo; Kanda, Ayaka; Nakayama, Hiroki; Nemoto, Tetsuhiro","Silver-Catalyzed, Chemo- and Enantioselective Intramolecular Dearomatization of Indoles to Access Sterically Congested Azaspiro Frameworks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01580","","","1.54187","CuKα","","0.0779","0.0569","","","0.1162","0.1268","","","","","","1.045","","","","has coordinates","254736","2020-10-21","18:00:00",""
"4038636","9.4438","0.0002","12.2974","0.0002","18.032","0.0004","90","","90","","90","","2094.13","0.07","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br N2 O2 -","- C23 H25 Br N2 O2 -","- C92 H100 Br4 N8 O8 -","4","1","","Ueda, Jun; Harada, Shingo; Kanda, Ayaka; Nakayama, Hiroki; Nemoto, Tetsuhiro","Silver-Catalyzed, Chemo- and Enantioselective Intramolecular Dearomatization of Indoles to Access Sterically Congested Azaspiro Frameworks.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01580","","","1.54187","CuKα","","0.077","0.0674","","","0.1235","0.1305","","","","","","1.066","","","","has coordinates","254737","2020-10-21","18:00:00",""
"4038647","14.5692","0.0007","16.642","0.0008","37.323","0.0017","90","","90","","90","","9049.4","0.7","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H104 Eu2 N4 O9 -","- C94 H104 Eu2 N4 O9 -","- C376 H416 Eu8 N16 O36 -","4","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.0322","0.0287","","","0.0683","0.0699","","","","","","1.039","","","","has coordinates","255135","2020-10-21","18:00:00",""
"4038648","14.6007","0.001","16.7977","0.0011","37.486","0.003","90","","90","","90","","9193.7","1.1","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H104 N4 Nd2 O9 -","- C94 H104 N4 Nd2 O9 -","- C376 H416 N16 Nd8 O36 -","4","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.0598","0.0427","","","0.0814","0.0862","","","","","","1.051","","","","has coordinates","255136","2020-10-21","18:00:00",""
"4038649","14.5715","0.0011","16.3015","0.0013","36.96","0.003","90","","90","","90","","8779.4","1.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H106 N4 O10 Y2 -","- C94 H106 N4 O10 Y2 -","- C376 H424 N16 O40 Y8 -","4","1","","Sun, Yuli; Lu, Chengrong; Zhao, Bei; Xue, Mingqiang","Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth Metal Complexes Containing Trost Ligands.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00877","","","0.71073","MoKα","","0.1063","0.0715","","","0.1512","0.1631","","","","","","1.067","","","","has coordinates","255137","2020-10-21","18:00:00",""
"4038672","10.0069","0.0003","14.7854","0.0005","16.3253","0.0005","90","","90","","90","","2415.43","0.13","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.7 H2.7 F0.1 N0.2 O0.3 -","- C2.7 H2.7 F0.1 N0.2 O0.3 -","- C108 H108 F4 N8 O12 -","40","10","","Wang, Yuqing; Wang, Gaigai; Peshkov, Anatoly A.; Yao, Ruwei; Hasan, Muhammad; Zaman, Manzoor; Liu, Chao; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A.","Controlling the stereochemistry in 2-oxo-aldehyde-derived Ugi adducts through the cinchona alkaloid-promoted electrophilic fluorination.","Beilstein journal of organic chemistry","2020","16","","1963","1973","10.3762/bjoc.16.163","","x-ray","1.54178","CuKα","","0.0342","0.0334","","","0.087","0.0883","","","","","","1.101","","","","has coordinates","276325","2022-06-28","14:14:18",""
"4038676","9.5927","0.0004","11.5581","0.0004","27.4017","0.0009","90","","90","","90","","3038.12","0.19","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 N2 -","- C38 H40 N2 -","- C152 H160 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0744","0.0671","","","0.1843","0.1916","","","","","","1.062","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038678","9.4593","0.0004","11.8372","0.0004","30.9935","0.0017","90","","90","","90","","3470.4","0.3","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H48 N2 -","- C44 H48 N2 -","- C176 H192 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.1229","0.0932","","","0.2508","0.2778","","","","","","1.033","","","","has coordinates","255267","2020-10-21","18:00:00",""
"4038679","9.7094","0.0006","11.6644","0.001","23.344","0.002","90","","90","","90","","2643.8","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N2 O2 -","- C36 H32 N2 O2 -","- C144 H128 N8 O8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0876","0.064","","","0.1363","0.15","","","","","","1.066","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038682","9.8232","0.0003","11.5685","0.0005","24.8431","0.0011","90","","90","","90","","2823.16","0.19","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 N2 -","- C36 H40 N2 -","- C144 H160 N8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0972","0.0922","","","0.2667","0.2718","","","","","","1.103","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038683","9.8347","0.0001","11.3818","0.0001","24.1002","0.0002","90","","90","","90","","2697.69","0.04","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 N2 O2 -","- C36 H36 N2 O2 -","- C144 H144 N8 O8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Point-to-Axial Chirality Transmission: A Highly Sensitive Triaryl Chirality Probe for Stereochemical Assignments of Amines","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c00734","","","1.54184","CuKα","","0.0327","0.0319","","","0.0839","0.0847","","","","","","1.039","","","","has coordinates,has disorder","255267","2020-10-21","18:00:00",""
"4038686","10.3861","0.0002","11.8749","0.0003","19.6542","0.0005","90","","90","","90","","2424.03","0.1","295.8","0.5","295.8","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Jiang, Ying; Yang, Yang; He, Qing; Du, Wei; Chen, Ying-Chun","Asymmetric Intramolecular Rauhut‒Currier Reaction and Its Desymmetric Version via Double Thiol/Phase-Transfer Catalysis","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01293","","x-ray","1.54184","CuKα","","0.0677","0.0646","","","0.164","0.1702","","","","","","1.052","","","","has coordinates","255270","2020-10-21","18:00:00",""
"4038698","9.73271","0.0001","10.62789","0.00015","18.00805","0.00018","90","","90","","90","","1862.72","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl N O3 -","- C19 H22 Cl N O3 -","- C76 H88 Cl4 N4 O12 -","4","1","","Gediya, Shweta K.; Clarkson, Guy J.; Wills, Martin","Asymmetric Transfer Hydrogenation: Dynamic Kinetic Resolution of α-Amino Ketones.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01438","","x-ray","1.54184","CuKα","","0.0402","0.0378","","","0.0993","0.1014","","","","","","1.047","","","","has coordinates,has disorder","255491","2020-10-21","18:00:00",""
"4038714","8.8858","0.0004","9.5706","0.0006","23.3142","0.0011","90","","90","","90","","1982.7","0.18","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Cl F3 N O5 S -","- C18 H15 Cl F3 N O5 S -","- C72 H60 Cl4 F12 N4 O20 S4 -","4","1","","Duan, Hui-Xin; Zhang, Yongna; Zhang, Zhen-Zhen; Wang, You-Qing","C2-Symmetric 1,2-Diphenylethane-1,2-diamine Derived Primary-Tertiary Diamine Catalyzed Asymmetric Mannich Addition of Cyclic N-Sulfonyl Trifluoromethylated Ketimines.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01446","","x-ray","1.54184","CuKα","","0.0524","0.0422","","","0.1072","0.1156","","","","","","1.028","","","","has coordinates","255632","2020-10-21","18:00:00",""
"4038715","9.6607","0.0009","11.0178","0.001","17.0785","0.0017","90","","90","","90","","1817.8","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dimethyl (2-hydroxy-2,6-dimethyl-5-nitro-4-phenyltetrahydro-2H-pyran-3-yl)phosphonate","","- C15 H22 N O7 P -","- C15 H22 N O7 P -","- C60 H88 N4 O28 P4 -","4","1","","Reznikov, Alexander N.; Nikerov, Dmitry S.; Sibiryakova, Anastasiya E.; Rybakov, Victor B.; Golovin, Evgeniy V.; Klimochkin, Yuri N.","Convenient access to pyrrolidin-3-ylphosphonic acids and tetrahydro-2H-pyran-3-ylphosphonates with multiple contiguous stereocenters from nonracemic adducts of a Ni(II)-catalyzed Michael reaction","Beilstein Journal of Organic Chemistry","2020","16","","2073","2079","10.3762/bjoc.16.174","","x-ray","1.54184","Cukα","","0.0402","0.0335","","","0.08","0.0835","","","","","","1.026","","","","has coordinates","258203","2020-10-21","18:00:00",""
"4038717","5.5006","0.0001","17.2005","0.0002","17.2638","0.0002","90","","90","","90","","1633.38","0.04","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O3 -","- C20 H17 Br O3 -","- C80 H68 Br4 O12 -","4","1","","Göricke, Fabian; Haseloff, Stefan; Laue, Michael; Schneider, Maximilian; Brumme, Thomas; Schneider, Christoph","Phosphoric Acid-Catalyzed Formation of Hydrogen-Bonded ortho-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward Benzannulated Oxygen Heterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01375","","","0.71073","MoKα","","0.0337","0.0271","","","0.0587","0.0617","","","","","","1.033","","","","has coordinates","255671","2020-10-21","18:00:00",""
"4038718","9.2907","0.0002","11.0841","0.0003","14.6284","0.0003","90","","90","","90","","1506.42","0.06","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Göricke, Fabian; Haseloff, Stefan; Laue, Michael; Schneider, Maximilian; Brumme, Thomas; Schneider, Christoph","Phosphoric Acid-Catalyzed Formation of Hydrogen-Bonded ortho-Quinone Methides. Enantioselective Cycloaddition with β-Dicarbonyl Compounds toward Benzannulated Oxygen Heterocycles.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01375","","","0.71073","MoKα","","0.0608","0.0475","","","0.1004","0.1084","","","","","","1.03","","","","has coordinates","255672","2020-10-21","18:00:00",""
"4038727","7.9886","0.0002","9.9248","0.0002","16.34","0.0004","90","","90","","90","","1295.52","0.05","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19.44 O3 -","- C15 H19.444 O3 -","- C60 H77.776 O12 -","4","1","","Shao, Hui; Wang, Yun-Peng; Fang, Kun; Zhao, Yu-Ming; Tu, Yong-Qiang","Total Synthesis of Sieboldine A.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01660","","","1.54178","CuKα","","0.0425","0.0408","","","0.1348","0.1372","","","","","","1.241","","","","has coordinates,has disorder","255852","2020-10-21","18:00:00",""
"4038730","8.1688","0.0003","8.8842","0.0003","20.4503","0.0005","90","","90","","90","","1484.14","0.08","293.73","0.18","293.73","0.18","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Br N2 O3 -","- C16 H11 Br N2 O3 -","- C64 H44 Br4 N8 O12 -","4","1","","Dong, Xiaodi; Tang, Zhishun; Ye, Ling; Shi, Zhichuan; Zhao, Zhigang; Li, Xuefeng","Stereoselective Synthesis of Dihydrofuranoindoles via the Friedel-Crafts Alkylation/Annulation Cascade Process.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c00444","","x-ray","1.54184","CuKα","","0.0536","0.0505","","","0.1345","0.1402","","","","","","1.029","","","","has coordinates","255903","2020-10-21","18:00:00",""
"4038753","7.3094","0.0003","11.286","0.0005","18.0876","0.0008","90","","90","","90","","1492.12","0.11","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F N2 O2 S -","- C13 H9 F N2 O2 S -","- C52 H36 F4 N8 O8 S4 -","4","1","","Nguyen, Thi Mo; Cao, Hoang Anh; Thuong Cao, Thi Thuong; Koyama, Satoki; Mac, Dinh Hung; Nguyen, Thanh Binh","Access to [2,1]Benzothiazine <i>S</i>,<i>S</i>-Dioxides from β-Substituted <i>o</i>-Nitrostyrenes and Sulfur.","The Journal of organic chemistry","2020","85","19","12058","12066","10.1021/acs.joc.0c00918","","","0.71073","MoKα","","0.1037","0.0599","","","0.1873","0.229","","","","","","0.853","","","","has coordinates","257126","2020-10-21","18:00:00",""
"4038760","16.21","0.0004","19.2876","0.0004","25.619","0.0006","90","","90","","90","","8009.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C87 H71 Br8 N O8 Rh2 -","- C87 H71 Br8 N O8 Rh2 -","- C348 H284 Br32 N4 O32 Rh8 -","4","1","","Wertz, Benjamin; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Davies, Huw M. L.","Comparison of 1,2-Diarylcyclopropanecarboxylates with 1,2,2-Triarylcyclopropanecarboxylates as Chiral Ligands for Dirhodium-Catalyzed Cyclopropanation and C-H Functionalization.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01276","","x-ray","0.71073","MoKα","","0.0582","0.0418","","","0.0829","0.089","","","","","","1.0386","","","","has coordinates","256467","2020-10-21","18:00:00",""
"4038765","10.906","0.0006","13.6614","0.0007","16.6806","0.0009","90","","90","","90","","2485.3","0.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","O-4-Chloro-2-(((4-methylphenyl)sulfonamido)(phenyl)methyl)phenyl N,N-diethylcarbamate","","- C25 H27 Cl N2 O4 S -","- C25 H27 Cl N2 O4 S -","- C100 H108 Cl4 N8 O16 S4 -","4","1","","Feberero, Claudia; Sedano, Carlos; Suárez-Pantiga, Samuel; López, Carlos Silva; Sanz, Roberto","Experimental and Computational Study of the 1,5-O →N Carbamoyl Snieckus-Fries-Type Rearrangement.","The Journal of organic chemistry","2020","85","19","12561","12578","10.1021/acs.joc.0c01732","","","0.71073","MoKα","","0.0496","0.0392","","","0.0807","0.0864","","","","","","1.098","","","","has coordinates","257128","2020-10-21","18:00:00",""
"4038775","8.1574","0.0004","13.7272","0.0006","20.3329","0.0011","90","","90","","90","","2276.84","0.19","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O7 -","- C25 H32 O7 -","- C100 H128 O28 -","4","1","","Chen, Shu-Rong; Wang, Shih-Wei; Sheu, Jyh-Horng; Chang, Ting-Hsuan; Cheng, Yuan-Bin","Zoanthamine Alkaloid Derivatives from the Zoantharian <i>Zoanthus vietnamensis</i> with Antimetastatic Activity.","The Journal of organic chemistry","2020","85","19","12553","12560","10.1021/acs.joc.0c01731","","","1.54178","CuKα","","0.1192","0.0714","","","0.1704","0.221","","","","","","0.917","","","","has coordinates","257141","2020-10-21","18:00:00",""
"4038795","7.13243","0.00007","12.32391","0.00016","29.4905","0.0003","90","","90","","90","","2592.2","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F3 N2 O7 -","- C20 H21 F3 N2 O7 -","- C80 H84 F12 N8 O28 -","4","1","","Li, Luyao; Yang, Tianxiao; Zhang, Tao; Zhu, Bo; Chang, Junbiao","Organocatalytic Asymmetric Tandem Cyclization/Michael Addition via Oxazol-5(2<i>H</i>)-One Formation: Access to Perfluoroalkyl-Containing <i>N</i>,<i>O</i>-Acetal Derivatives.","The Journal of organic chemistry","2020","85","19","12294","12303","10.1021/acs.joc.0c01545","","x-ray","1.54184","CuKα","","0.0444","0.0428","","","0.1187","0.1207","","","","","","1.035","","","","has coordinates,has disorder","257125","2020-10-21","18:00:00",""
"4038823","8.0529","0.0004","8.1749","0.0005","22.1907","0.0012","90","","90","","90","","1460.85","0.14","149.97","0.1","149.97","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Mittendorf, Fabia; Mohr, Fabian; Kirsch, Stefan F.","Ring Expansion of 2-Azido-2-phenyl-indan-1,3-dione for the Generation of Heterocyclic Scaffolds.","The Journal of organic chemistry","2020","85","19","12760","12769","10.1021/acs.joc.0c01586","","x-ray","0.71073","MoKα","","0.0423","0.0364","","","0.0811","0.0841","","","","","","1.061","","","","has coordinates","257148","2020-10-21","18:00:00",""
"4038829","9.851","0.0003","11.5233","0.0003","17.2368","0.0004","90","","90","","90","","1956.65","0.09","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O2 P2 -","- C20 H27 N O2 P2 -","- C80 H108 N4 O8 P8 -","4","1","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","0.71073","MoKα","","0.0288","0.0276","","","0.072","0.0724","","","","","","1.009","","","","has coordinates","256678","2020-10-21","18:00:00",""
"4038831","9.856","0.0002","11.5291","0.0002","17.2583","0.0004","90","","90","","90","","1961.07","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O2 P2 -","- C20 H27 N O2 P2 -","- C80 H108 N4 O8 P8 -","4","1","","Moritz, Jan-Ole; Chakrabortty, Soumyadeep; Müller, Bernd H; Spannenberg, Anke; Kamer, Paul C. J.","P-chirogenic Diphosphazanes with Axially Chiral Substituents and their Use in Rh-catalyzed Asymmetric Hydrogenation.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01108","","","0.71073","MoKα","","0.0306","0.0286","","","0.0738","0.0755","","","","","","1.033","","","","has coordinates","256680","2020-10-21","18:00:00",""
"4038848","5.921","0.0001","9.6597","0.0001","32.1824","0.0005","90","","90","","90","","1840.68","0.05","200","0.1","200","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Yuan, Jinping; Jain, Pankaj; Antilla, Jon C.","Bi(cyclopentyl)diol-Derived Boronates in Highly Enantioselective Chiral Phosphoric Acid-Catalyzed Allylation, Propargylation and Crotylation of Aldehydes.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01646","","x-ray","1.54184","CuKα","","0.0368","0.0324","","","0.0826","0.0878","","","","","","1.078","","","","has coordinates","256875","2020-10-21","18:00:00",""
"4038875","6.7505","0.0001","13.9462","0.0001","22.3174","0.0002","90","","90","","90","","2101.05","0.04","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Zhen, Li; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Construction of the Erythrinane Core Skeleton via Asymmetric Catalytic Cascade Reaction of Tertiary Enamides.","The Journal of organic chemistry","2020","85","20","13211","13219","10.1021/acs.joc.0c01992","","x-ray","1.54184","CuKα","","0.0342","0.0318","","","0.0794","0.0821","","","","","","1.051","","","","has coordinates","258717","2020-11-04","01:30:45",""
"4038876","6.0637","0.0001","16.8612","0.0002","19.9302","0.0002","90","","90","","90","","2037.69","0.05","169.99","0.11","169.99","0.11","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Zhen, Li; Tong, Shuo; Zhu, Jieping; Wang, Mei-Xiang","Construction of the Erythrinane Core Skeleton via Asymmetric Catalytic Cascade Reaction of Tertiary Enamides.","The Journal of organic chemistry","2020","85","20","13211","13219","10.1021/acs.joc.0c01992","","x-ray","1.54184","CuKα","","0.0441","0.0415","","","0.1055","0.1116","","","","","","1.069","","","","has coordinates","258717","2020-11-04","01:30:45",""
"4038878","6.4266","0.0003","15.5268","0.0006","16.3329","0.0006","90","","90","","90","","1629.77","0.12","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N O2 -","- C20 H18 Br N O2 -","- C80 H72 Br4 N4 O8 -","4","1","","Yadav, Jyothi; Pawar, Amol Prakash; Nagare, Yadav Kacharu; Iype, Eldhose; Rangan, Krishnan; Ohshita, Joji; Kumar, Dalip; Kumar, Indresh","Direct Amine-Catalyzed Enantioselective Synthesis of Pentacyclic Dibenzo[<i>b</i>,<i>f</i>][1,4]oxazepine/Thiazepine-Fused Isoquinuclidines along with DFT Calculations.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02141","","x-ray","0.71073","MoKα","","0.0311","0.0258","","","0.0598","0.0615","","","","","","1.073","","","","has coordinates","258277","2020-10-21","18:00:00",""
"4038894","8.3608","0.0001","16.9291","0.0001","23.1401","0.0002","90","","90","","90","","3275.27","0.05","99.9","0.4","99.9","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O4 S Si2 -","- C30 H50 O4 S Si2 -","- C120 H200 O16 S4 Si8 -","4","1","","Kim, Hyun Su; Park, Hyunkyung; Lim, Juhee; Lim, Changjin; Kim, Taewoo; Lee, Seungbeom; Hur, Joonseong; Sim, Jaehoon; Choi, Hyun Jin; Suh, Young-Ger","Collective Syntheses of Guaiane Sesquiterpenes: Stereoselective Syntheses of (+)-Dysodensiol F, (+)-10β,14-Dihydroxy-<i>allo</i>-aromadendrane, and (-)-Dendroside C Aglycon.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01907","","x-ray","1.54184","CuKα","","0.0287","0.0276","","","0.0721","0.073","","","","","","1.019","","","","has coordinates,has disorder","258404","2020-10-21","18:00:00",""
"4038903","5.9728","0.0004","12.6582","0.0008","31.5671","0.0019","90","","90","","90","","2386.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N O5 -","- C24 H34 N O5 -","- C96 H136 N4 O20 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.0985","0.0586","","","0.1533","0.1829","","","","","","0.91","","","","has coordinates","258532","2020-10-21","23:21:47",""
"4038904","10.1898","0.0017","20.428","0.003","24.565","0.004","90","","90","","90","","5113.4","1.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H69 N O8 Si2 -","- C49 H69 N O8 Si2 -","- C196 H276 N4 O32 Si8 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","0.71073","MoKα","","0.1108","0.0615","","","0.1546","0.181","","","","","","1.015","","","","has coordinates","258532","2020-10-21","23:21:48",""
"4038906","5.1493","0.0004","24.3955","0.0012","34.606","0.003","90","","90","","90","","4347.2","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Br3 N O8 -","- C45 H43 Br3 N O8 -","- C180 H172 Br12 N4 O32 -","4","1","","Zheng, Kuan; Shen, Defeng; Zhang, Bingbing; Hong, Ran","The Landscape of Lankacidin Biomimetic Synthesis: Structural Revisions and Biogenetic Implications.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c01930","","","1.54178","CuKα","","0.1724","0.1129","","","0.3081","0.3554","","","","","","1.127","","","","has coordinates,has disorder","258532","2020-10-21","23:21:48",""
"4038920","9.5399","0.0002","9.9824","0.0002","13.668","0.0003","90","","90","","90","","1301.62","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Su, Li-Hua; Geng, Chang-An; Li, Tian-Ze; Ma, Yun-Bao; Huang, Xiao-Yan; Zhang, Xue-Mei; Chen, Ji-Jun","Artatrovirenols A and B: Two Cagelike Sesquiterpenoids from Artemisia atrovirens","The Journal of Organic Chemistry","2020","","","","","10.1021/acs.joc.0c01491","","","1.54178","CuKα","","0.0308","0.0306","","","0.0804","0.0808","","","","","","1.097","","","","has coordinates","258566","2020-10-22","23:31:20",""
"4038926","9.0147","0.0003","10.9941","0.0005","11.1906","0.0005","90","","90","","90","","1109.08","0.08","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Cl2 O3 -","- C11 H8 Cl2 O3 -","- C44 H32 Cl8 O12 -","4","1","","Norseeda, Krissada; Chaisan, Nattawadee; Thongsornkleeb, Charnsak; Tummatorn, Jumreang; Ruchirawat, Somsak","Correction to ""Metal-Free Synthesis of 4-Chloroisocoumarins by TMSCl-Catalyzed NCS-Induced Chlorinative Annulation of 2-Alkynylaryloate Esters"".","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02380","","x-ray","0.71073","MoKα","K-L~3~","0.0349","0.0305","","","0.0796","0.0827","","","","","","1.037","","","","has coordinates","258639","2020-10-30","00:22:09",""
"4038944","7.6019","0.0005","12.1084","0.0008","18.2856","0.0011","90","","90","","90","","1683.13","0.19","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl N O -","- C19 H24 Cl N O -","- C76 H96 Cl4 N4 O4 -","4","1","","Shcherbakova, Valeriya; Dibchak, Dmitry; Snisarenko, Mariya; Skalenko, Yevhen; Denisenko, Aleksandr V.; Kuznetsova, Anastasiia S.; Mykhailiuk, Pavel K.","Bicyclic Piperidines <i>via</i> [2 + 2] Photocycloaddition.","The Journal of organic chemistry","2020","","","","","10.1021/acs.joc.0c02355","","x-ray","0.71073","MoKα","","0.085","0.0387","","","0.0565","0.0625","","","","","","0.833","","","","has coordinates","260348","2021-01-02","00:11:05",""
"4038955","7.5598","0.0001","11.1503","0.0002","14.9186","0.0003","90","","90","","90","","1257.55","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O4 S -","- C11 H11 Br O4 S -","- C44 H44 Br4 O16 S4 -","4","1","","Vasin, V.A.; Bolusheva, I.Yu.; Razin, V.V.; Kapkaeva, S.R.; Petrov, P.S.; Somov, N.V.","Methyl (Z)-3-Bromo-3-(4-methylbenzenesulfonyl)prop-2-enoate: Synthesis and Reactions with Dimethyl Malonate and Methyl Acetoacetate","Russian Journal of Organic Chemistry","2016","52","3","299","306","10.1134/S1070428016030015","","x-ray","0.71073","MoKα","","0.0433","0.0354","","","0.0792","0.0829","","","","","","1.042","","","","has coordinates","269567","2021-10-05","10:01:30",""
"4038979","8.5589","0.0006","19.2664","0.0014","20.8738","0.0013","90","","90","","90","","3442.1","0.4","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","S_R_C4","","","- C26 H44 Cl4 N2 O Pd2 S2 -","- C26 H44 Cl4 N2 O Pd2 S2 -","- C104 H176 Cl16 N8 O4 Pd8 S8 -","4","1","","Major, Máté M.; Császár, Zsófia; Bényei, Attila C.; Balogh, Szabolcs; Bakos, József; Farkas, Gergely","Backbone effects in the synthesis, coordination chemistry and catalytic properties of new chiral heterobidentate ligands with P,N and S,N donor sets","Journal of Organometallic Chemistry","2020","921","","121332","","10.1016/j.jorganchem.2020.121332","","","0.71073","MoKα","","0.0478","0.0359","","","0.0775","0.0913","","","","","","1.158","","","","has coordinates","272287","2022-01-27","10:25:18",""
"4038981","8.6699","0.0003","13.3643","0.0005","20.1262","0.0008","90","","90","","90","","2331.97","0.15","293","0.1","293","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","FG581","","","- C19 H26 Cl4 N P Pd -","- C19 H26 Cl4 N P Pd -","- C76 H104 Cl16 N4 P4 Pd4 -","4","1","","Major, Máté M.; Császár, Zsófia; Bényei, Attila C.; Balogh, Szabolcs; Bakos, József; Farkas, Gergely","Backbone effects in the synthesis, coordination chemistry and catalytic properties of new chiral heterobidentate ligands with P,N and S,N donor sets","Journal of Organometallic Chemistry","2020","921","","121332","","10.1016/j.jorganchem.2020.121332","","","0.71073","MoKα","","0.0208","0.0203","","","0.0552","0.056","","","","","","1.089","","","","has coordinates","272287","2022-01-27","10:25:19",""
"4038990","4.9738","0.0002","12.2716","0.0004","14.6059","0.0005","90","","90","","90","","891.49","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","6-Azidotetrazolo(5,1-a)phthalazine","6-azido-4H-tetrazolo[5,1-a]phthalazine","","- C8 H4 N8 -","- C8 H4 N8 -","- C32 H16 N32 -","4","1","","Numez Avila, Aaron Gabriel; Deschênes-Simard, Benoît; Arnold, Joseph E.; Morency, Mathieu; Chartrand, Daniel; Maris, Thierry; Berger, Gilles; Day, Graham M.; Hanessian, Stephen; Wuest, James D.","Surprising Chemistry of 6.Azidotetrazolo[5,1.a]phthalazine: What a Purported Natural Product Reveals about the Polymorphism of Explosives","Journal of Organic Chemistry","2022","87","","6680","6694","10.1021/acs.joc.2c00369","","x-ray","1.34139","GaKα","","0.029","0.0271","","","0.0737","0.0755","","","","","","1.035","","","","has coordinates,has Fobs","275604","2022-05-22","12:30:35",""
"4060000","8.574","0.002","15.235","0.004","28.536","0.007","90","","90","","90","","3727.6","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 O6 -","- C42 H52 O6 -","- C168 H208 O24 -","4","1","","Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai","Total Synthesis of Absinthin","Journal of the American Chemical Society","2005","127","","18","19","10.1021/ja0439219","","","0.71073","MoKα","","0.1101","0.0631","","","0.1267","0.1459","","","","","","0.929","","","","has coordinates","277847","2022-09-14","22:27:41",""
"4060001","9.9596","0.0015","11.4051","0.0018","28.487","0.004","90","","90","","90","","3235.8","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O8 -","- C34 H44 O8 -","- C136 H176 O32 -","4","1","","Weihe Zhang; Shengjun Luo; Fang Fang; Qingshou Chen; Hanwei Hu; Xueshun Jia; Hongbin Zhai","Total Synthesis of Absinthin","Journal of the American Chemical Society","2005","127","","18","19","10.1021/ja0439219","","","0.71073","MoKα","","0.1988","0.0564","","","0.1031","0.1387","","","","","","0.875","","","","has coordinates","277847","2022-09-14","22:27:43",""
"4060010","8.509","0.005","11.225","0.008","23.33","0.01","90","","90","","90","","2228","2","93.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br Cl3 N O5 -","- C21 H19 Br Cl3 N O5 -","- C84 H76 Br4 Cl12 N4 O20 -","4","1","","Tomotaka Okino; Yasutaka Hoashi; Tomihiro Furukawa; Xuenong Xu; Yoshiji Takemoto","Enantio- and Diastereoselective Michael Reaction of 1,3-Dicarbonyl Compounds to Nitroolefins Catalyzed by a Bifunctional Thiourea","Journal of the American Chemical Society","2005","127","","119","125","10.1021/ja044370p","","","0.7107","MoKα","","","0.027","","","","0.071","","","","","","1.025","","","","has coordinates","277847","2022-09-14","22:27:49",""
"4060019","6.5297","0.0004","13.6202","0.0009","19.8064","0.0013","90","","90","","90","","1761.5","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Br N O4 P2 Re -","- C13 H15 Br N O4 P2 Re -","- C52 H60 Br4 N4 O16 P8 Re4 -","4","1","","Pillarsetty, Nagavarakishore; Raghuraman, Kannan; Barnes, Charles L.; Katti, Kattesh V.","Design, Synthesis, and Chemistry of Sterically Nondemanding Primary Bisphosphines^1^","Journal of the American Chemical Society","2005","127","1","331","336","10.1021/ja047238y","","","0.71073","MoKα","","0.0301","0.0273","","","0.0651","0.0662","","","","","","1.065","","","","has coordinates","277847","2022-09-14","22:27:58",""
"4060042","10.68","0.002","12.0922","0.0018","15.335","0.002","90","","90","","90","","1980.5","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Mn Mo N2 O4 S2 -","- C19 H13 Mn Mo N2 O4 S2 -","- C76 H52 Mn4 Mo4 N8 O16 S8 -","4","1","","Noorjahan Begum; Shariff E. Kabir; G. M. Golzar Hossain; A. F. M. Mahfuzur Rahman; Edward Rosenberg","Investigations of Pyridine-2-thiol as a Ligand: Synthesis and X-ray Structures of the Mixed Mo-Mn Dinuclear Complex CpMoMn(CO)3(μ-CO)(μ-η2-pyS)(μ-η1-pyS), the Electron-Deficient Trimolybdenum Cluster Cp3Mo3(μ-CO)2(μ-S)(μ3-S)(μ-η2-NC5H4), and the Mononuclear CpMo(CO)2(μ-η2-pyS)","Organometallics","2005","24","","266","271","10.1021/om040112p","","","0.71073","MoKα","","0.0318","0.0255","","","0.0615","0.0632","","","","","","1.047","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060086","10.403","0.0012","12.984","0.0017","14.5303","0.0019","90","","90","","90","","1962.6","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 D6 N O P W -","- C19 H24 D6 N O P W -","- C76 H96 D24 N4 O4 P4 W4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om049137e","","","0.71073","MoKα","","0.0111","0.0106","","","0.0264","0.0265","","","","","","1.045","","","","has coordinates","178489","2020-10-21","18:00:00",""
"4060092","12.354","0.005","17.951","0.007","18.506","0.007","90","","90","","90","","4104","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H16 N2 O16 Ru6 -","- C36 H16 N2 O16 Ru6 -","- C144 H64 N8 O64 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","0.71073","MoKα","","0.0287","0.0253","","","0.0572","0.0606","","","","","","1.171","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060095","11.1372","0.0002","16.4202","0.0003","19.2955","0.0003","90","","90","","90","","3528.67","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H16 N2 O13 Ru5 -","- C33 H16 N2 O13 Ru5 -","- C132 H64 N8 O52 Ru20 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylacetylene with a Basal Edge-Bridged Square-Pyramidal Hexaruthenium Cluster. Characterization of Penta-, Hexa-, and Heptanuclear Alkyne Derivatives","Organometallics","2005","24","4","665","674","10.1021/om049186r","","","1.5418","CuKα","","0.0255","0.0251","","","0.0664","0.0665","","","","","","1.188","","","","has coordinates","277847","2022-09-14","22:28:04",""
"4060173","10.6856","0.0001","16.1559","0.0001","17.8511","0.0002","90","","90","","90","","3081.73","0.05","297","2","297","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cl2 Fe P Pd S -","- C34 H31 Cl2 Fe P Pd S -","- C136 H124 Cl8 Fe4 P4 Pd4 S4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0493762","","","1.54178","CuKα","","0.0318","0.0313","","","0.0804","0.0808","","","","","","1.035","","","","has coordinates","178490","2020-10-21","18:00:00",""
"4060204","5.2258","0.0005","8.7007","0.0009","22.97","0.002","90","","90","","90","","1044.42","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ala-gly-gly HCl","alanyl-glycyl-glycine hydrochloride","","- C7 H14 Cl N3 O4 -","- C7 H14 Cl N3 O4 -","- C28 H56 Cl4 N12 O16 -","4","1","","Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J.","15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure","Journal of the American Chemical Society","2004","126","1","379","384","10.1021/ja0370342","","","0.71073","MoKα","","0.053","0.048","","","0.106","0.109","","","","","","1.05","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060205","6.989","0.0008","8.2684","0.001","21.834","0.003","90","","90","","90","","1261.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","gly-gly-val HCl","glycyl-glycyl-valine hydrochloride","","- C9 H18 Cl N3 O4 -","- C9 H18 Cl N3 O4 -","- C36 H72 Cl4 N12 O16 -","4","1","","Chekmenev, Eduard Y.; Zhang, Qianwen; Waddell, Kevin W.; Mashuta, Mark S.; Wittebort, Richard J.","15N Chemical Shielding in Glycyl Tripeptides: Measurement by Solid-State NMR and Correlation with X-ray Structure","Journal of the American Chemical Society","2004","126","1","379","384","10.1021/ja0370342","","","0.71073","MoKα","","0.027","0.024","","","0.054","0.055","","","","","","1.01","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060219","12.5062","0.0005","21.1","0.0012","28.3424","0.0016","90","","90","","90","","7479","0.7","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38.5 H49.5 Cl2 Fe N5.5 O -","- C38.5 H49.5 Cl2 Fe N5.5 O -","- C308 H396 Cl16 Fe8 N44 O8 -","8","2","","Andreas A. Danopoulos; Nikolaos Tsoureas; Joseph A. Wright; Mark E. Light","N-Heterocyclic Pincer Dicarbene Complexes of Iron(II): C-2 and C-5 Metalated Carbenes on the Same Metal Center","Organometallics","2004","23","","166","168","10.1021/om0341911","","","0.71073","MoKα","","0.2243","0.0707","","","0.1124","0.1486","","","","","","0.899","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060262","13.6104","0.0013","20.136","0.0019","21.66","0.002","90","","90","","90","","5936","1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H76 B20 K N2 P2 Y -","- C48 H66 B20 K N2 P2 Y -","- C192 H264 B80 K4 N8 P8 Y4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034268l","","","0.71073","MoKα","","0.1256","0.0579","","","0.1208","0.1417","","","","","","0.993","","","","has coordinates","178491","2020-10-21","18:00:00",""
"4060265","10.199","0.002","16.768","0.003","19.803","0.003","90","","90","","90","","3386.6","0.9","143","2","143","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 B6 P -","- C14 H23 B6 P -","- C112 H184 B48 P8 -","8","2","","","","Organometallics","2004","","","","","10.1021/om034274h","","","0.71069","MoKα","","0.0707","0.0606","","0.1519","0.1462","","","","1.051","1.088","1.088","","","","","has coordinates","134621","2020-10-21","18:00:00",""
"4060285","8.4092","0.0002","16.4799","0.0004","17.9447","0.0004","90","","90","","90","","2486.83","0.1","120","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Cl2 N3 O2 Rh -","- C25 H30 Cl2 N3 O2 Rh -","- C100 H120 Cl8 N12 O8 Rh4 -","4","1","","Darío Cuervo; Josefina Díez; M. Pilar Gamasa; José Gimeno","One-pot stereoselective synthesis of organorhodium(III) complexes containing the chiral ligand 2,6-bis[4’-(S)-isopropyloxazolin-2’-yl]pyridine (iPr-pybox)","Organometallics","2005","","","","","10.1021/om0489756","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060286","11.0634","0.0005","12.2919","0.0003","34.5207","0.0013","90","","90","","90","","4694.5","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 Cl3 N6 O7 Rh2 -","- C37 H52 Cl3 F3 N6 O7 Rh2 S -","- C148 H208 Cl12 F12 N24 O28 Rh8 S4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0489756","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060288","10.932","0.002","12.939","0.003","22.815","0.005","90","","90","","90","","3227.2","1.1","220","2","220","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H44 B8 Fe Si4 -","- C16 H44 B8 Fe Si4 -","- C64 H176 B32 Fe4 Si16 -","4","1","","Tomlinson, Susan; Zheng, Chong; Hosmane, Narayan S.; Yang, Jimin; Wang, Ying; Zhang, Hongming; Gray, Thomas G.; Demissie, Temesgen; Maguire, John A.; Baumann, Frank; Klein, Axel; Sarkar, Biprajit; Kaim, Wolfgang; Lipscomb, William N.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 31. New Insights into Reaction Pathways of Carborane Ligand Systems: Synthetic, Structural, Spectroscopic, and Electrochemical Studies on Sandwich and Half-Sandwich Metallacarboranes of Iron, Cobalt, and Nickel","Organometallics","2005","24","9","2177","2187","10.1021/om048982u","","","0.71073","MoKα","","0.222","0.097","","","0.186","0.246","","","","","","1.023","","","","has coordinates","133915","2020-10-21","18:00:00",""
"4060325","7.658","0.0003","15.2323","0.0006","16.8331","0.0007","90","","90","","90","","1963.56","0.14","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 Cl2 N P Pt -","- C17 H26 Cl2 N P Pt -","- C68 H104 Cl8 N4 P4 Pt4 -","4","1","","","Synthesis and Reactivity of New [kappa2-P,N]Pt(II) Complexes of Diisopropyphosphino-Substituted 2-Dimethylaminoindene","Organometallics","2005","","","","","10.1021/om049034w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060355","11.807","0.007","16.571","0.012","21.743","0.015","90","","90","","90","","4254","5","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H66 N2 P2 Ti -","- C43 H68 N2 P2 Ti -","- C172 H272 N8 P8 Ti4 -","4","1","","R. Hermatschweiler; I. Fernandez; P. S. Pregosin; E. Watson; A. Albinati; S. Rizzato; L. F. Veiros; M. J. Calhorda","X-ray and 13C NMR studies on a Ru(IV) allyl complex. An explanation for the observed control of regioselectivity in allylic alkylation chemistry.","Organometallics","2005","","","","","10.1021/om0490583","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060359","13.807","0.003","6.34","0.001","26.961","0.005","90","","90","","90","","2360.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Canada-11 XW-168","","","- C26 H35 N O3 -","- C26 H35 N O3 -","- C104 H140 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem","Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction","Organic Letters","2005","7","7","1315","1318","10.1021/ol050104k","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060409","16.551","0.006","18.233","0.005","12.59","0.003","90","","90","","90","","3799","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 N2 O2 Sn -","- C42 H54 N2 O2 Sn -","- C168 H216 N8 O8 Sn4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0491084","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060481","14.4433","0.0008","17.8416","0.001","19.2321","0.0011","90","","90","","90","","4956","0.5","136","2","136","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H78 F3 N3 O3 S Ti -","- C50 H78 F3 N3 O3 S Ti -","- C200 H312 F12 N12 O12 S4 Ti4 -","4","1","","Vojtech Jancik; Leslie W. Pineda; A. Claudia Stückl; Herbert W. Roesky; Regine Herbst-Irmer","","Organometallics","2005","","","","","10.1021/om049400b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060557","8.6824","0.0016","13.568","0.002","17.428","0.003","90","","90","","90","","2053","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Br2 Ni P2 -","- C18 H24 Br2 Ni P2 -","- C72 H96 Br8 Ni4 P8 -","4","1","","Rowshan Ara Begum; Paul R. Sharp","Nickel and Platinum 1,2-Dibromoacenaphthylene Chemistry","Organometallics","2005","","","","","10.1021/om050164u","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060591","7.987","0.002","14.59","0.004","16.197","0.005","90","","90","","90","","1887.4","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Fe I N O2 -","- C19 H20 Fe I N O2 -","- C76 H80 Fe4 I4 N4 O8 -","4","1","","","","Organometallics","2006","","","","","10.1021/om050684p","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060611","12.833","0.002","16.0045","0.0017","48.473","0.007","90","","90","","90","","9956","2","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bisgermacyclopropabenzenecis","","","- C84 H154 Ge2 Si12 -","- C84 H154 Ge2 Si12 -","- C336 H616 Ge8 Si48 -","4","1","","Tomoyuki Tajima; Nobuhiro Takeda; Takahiro Sasamori; Tokitoh Norihiro; Takeshi Yoshida; Masaru Nakahara","Synthesis of Bis(germacyclopropa)benzenes and Structures of Thier Annelated Benzene Rings","Organometallics","2006","","","","","10.1021/om0507629","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4060615","9.1802","0.0002","21.9173","0.0005","32.411","0.0008","90","","90","","90","","6521.3","0.3","200","","200","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C39 H76 B2 Cl5 N12 O2.5 P4 Rh2 S6 -","- C39 H72 B2 Cl5 N12 O2.5 P4 Rh2 S6 -","- C156 H288 B8 Cl20 N48 O10 P16 Rh8 S24 -","4","1","","Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.","Metallaboratranes: Tris(methimazolyl)borane Complexes of Rhodium(I)","Organometallics","2006","25","1","289","299","10.1021/om050772+","","","","","","","","","","","","","","","","","","","","","has coordinates","219029","2020-10-21","18:00:00",""
"4060667","13.682","0.003","16.96","0.003","19.612","0.003","90","","90","","90","","4550.9","1.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H78 B2 Li2 O3 P2 Si4 -","- C30 H78 B2 Li2 O3 P2 Si4 -","- C120 H312 B8 Li8 O12 P8 Si16 -","4","1","","","","Organometallics","2006","","","","","10.1021/om0509701","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060670","8.5421","0.0006","14.8293","0.0011","22.0627","0.0016","90","","90","","90","","2794.8","0.4","160","2","160","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Li O4 P S Si2 -","- C22 H42 Li O4 P S Si2 -","- C88 H168 Li4 O16 P4 S4 Si8 -","4","1","","Stuart Blair; Keith Izod; Ross W. Harrington; William Clegg","Sterically Controlled Mono- or Dimetalation of a Thioether-Functionalized Phosphine and an Unusual Light-Induced Phosphide-Thiolate Rearrangement","Organometallics","2003","22","","302","308","10.1021/om0208265","","","0.71073","MoKα","","0.0829","0.0453","","","0.099","0.1147","","","","","","1.047","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060695","12.3136","0.0008","15.1506","0.001","27.4491","0.0018","90","","90","","90","","5120.9","0.6","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H76 B Li O2 -","- C60 H76 B Li O2 -","- C240 H304 B4 Li4 O8 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060707","11.916","0.043","17.628","0.06","26.017","0.085","90","","90","","90","","5465","32.3","293","2","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H81 N7 O9 W2 -","- C50 H81 N7 O9 W2 -","- C200 H324 N28 O36 W8 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","0.0399","","","0.0753","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4060708","11.83","0.017","17.261","0.024","26.391","0.038","90","","90","","90","","5388.8","13.4","273","2","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H78 N8 O9 W2 -","- C49 H78 N8 O9 W2 -","- C196 H312 N32 O36 W8 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","0.0319","","","0.0576","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060709","15.07","0.006","19.22","0.008","19.295","0.008","90","","90","","90","","5588.6","4.1","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H75 N7 O9 W2 -","- C53 H75 N7 O9 W2 -","- C212 H300 N28 O36 W8 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","0.0187","","","0.0373","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060714","8.3466","0.0006","11.2962","0.0008","16.3629","0.0011","90","","90","","90","","1542.8","0.2","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Ge N4 -","- C15 H26 Ge N4 -","- C60 H104 Ge4 N16 -","4","1","","Shutov, Pavel L.; Sorokin, Denis A.; Karlov, Sergey S.; Harms, Klaus; Oprunenko, Yuri F.; Churakov, Andrei V.; Antipin, Mikhail Yu.; Zaitseva, Galina S.; Lorberth, Jörg","Azametallatranes of Group 14 Elements. Syntheses and X-ray Studies","Organometallics","2003","22","3","516","522","10.1021/om020708h","","","0.71073","MoKα","","0.04","0.0383","","0.0956","0.0945","","","","1.033","1.049","1.049","","","","","has coordinates","181334","2020-10-21","18:00:00",""
"4060723","11.193","0.001","17.9546","0.0017","26.58","0.002","90","","90","","90","","5341.6","0.8","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H80 N8 O6 Sm2 -","- C52 H80 N8 O6 Sm2 -","- C208 H320 N32 O24 Sm8 -","4","1","","Díez-Barra, E.; Guerra, J.; López-Solera, Isabel; Merino, S.; Rodríguez-López, J.; Sánchez-Verdú, P.; Tejeda, J.","Novel Chiral and Achiral NCN Pincer Complexes Based on 1,3-Bis(1,2,4-triazol- 1-ylmethyl)benzene","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060726","11.7263","0.0001","18.1264","0.0001","20.7998","0.0001","90","","90","","90","","4421.11","0.05","123","1","123","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H69 Al2 O3 Y -","- C42 H69 Al2 O3 Y -","- C168 H276 Al8 O12 Y4 -","4","1","","Fischbach, A.; Herdtweck, E.; Anwander, R.; Eickerling, G.; Scherer, W.","Reactivity of Trimethylaluminium with Lanthanide Aryloxides: Adduct and Tetramethylaluminate Formation","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060730","6.8687","0.0007","11.6255","0.0008","23.1877","0.0013","90","","90","","90","","1851.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 B10 Cl N -","- C11 H24 B10 Cl N -","- C44 H96 B40 Cl4 N4 -","4","1","","","Practical synthesis of aminoethyl-o-carboranes","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060731","16.321","0.003","29.39","0.009","8.862","0.003","90","","90","","90","","4251","0.2","296.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 Cl2 Ru2 S2 -","- C36 Cl2 Ru2 S2 -","- C144 Cl8 Ru8 S8 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060763","9.7969","0.0008","19.075","0.002","20.09","0.003","90","","90","","90","","3754.3","0.8","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H62 N Si3 Y -","- C36 H62 N Si3 Y -","- C144 H248 N4 Si12 Y4 -","4","1","","Michael R. Douglass; Masamichi Ogasawara; Sukwon Hong; Matthew V. Metz; Tobin J. Marks","""Widening the Roof"": Synthesis and Characterization of New Chiral C1-Symmetric Octahydrofluorenyl Organolanthanide Catalysts and Their Implementation in the Stereoselective Cyclizations of Aminoalkenes and Phosphinoalkenes","Organometallics","2002","21","","283","292","10.1021/om0104013","","","0.71073","MoKα","","0.0307","0.0249","","","0.056","0.0574","","","","","","1.005","","","","has coordinates","178496","2020-10-21","18:00:00",""
"4060789","10.485","0.002","11.72","0.002","12.401","0.002","90","","90","","90","","1523.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O Ru -","- C16 H24 O Ru -","- C64 H96 O4 Ru4 -","4","1","","Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.","Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues","Organometallics","2002","21","4","592","605","10.1021/om010735s","","","","","","","0.0326","","","0.0766","","","","","","","","","","","has coordinates","205775","2020-10-21","18:00:00",""
"4060791","11.604","0.002","13.304","0.003","13.488","0.003","90","","90","","90","","2082.3","0.8","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O Ru -","- C22 H36 O Ru -","- C88 H144 O4 Ru4 -","4","1","","Navarro Clemente, M. Elena; Juárez Saavedra, Patricia; Cervantes Vásquez, Marisol; Paz-Sandoval, M. Angeles; Arif, Atta M.; Ernst, Richard D.","Syntheses, Structures, and Reactivity Studies of Half-Open Ruthenocenes and Their Oxodienyl Analogues","Organometallics","2002","21","4","592","605","10.1021/om010735s","","","","","","","0.0412","","","0.112","","","","","","","","","","","has coordinates","205775","2020-10-21","18:00:00",""
"4060812","15.8407","0.0002","16.1199","0.0002","31.0956","0.0006","90","","90","","90","","7940.3","0.4","220","","220","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H74 Cl2 N O4 Si4 Ta -","- C62 H74 Cl2 N O4 Si4 Ta -","- C248 H296 Cl8 N4 O16 Si16 Ta4 -","4","1","","Charles S. Weinert; Phillip E. Fanwick; Ian P. Rothwell","Isolation and Chemistry of Tantalum (V) Compounds Containing Two Resolved 3,3'","Organometallics","2002","","","","","10.1021/om0108200","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060813","11.5471","0.0002","14.8484","0.0003","24.8848","0.0006","90","","90","","90","","4266.6","0.3","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 Cl2 Mg N2 O2 Si2 -","- C40 H58 Cl2 Mg N2 O2 Si2 -","- C160 H232 Cl8 Mg4 N8 O8 Si8 -","4","1","","","","Organometallics","2002","","","","","10.1021/om0108200","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4060833","10.5365","0.0006","18.3753","0.0011","19.7029","0.0012","90","","90","","90","","3814.7","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H53 Cl2 Mo N O3 -","- C39 H53 Cl2 Mo N O3 -","- C156 H212 Cl8 Mo4 N4 O12 -","4","1","","Richard R. Schrock; Jennifer Y. Jamieson; Sarah J. Dolman; Stephen A. Miller; Peter J. Bonitatebus, Jr.; Amir H. Hoveyda","New Chiral Molybdenum Catalysts for Asymmetric Olefin Metathesis that Contain 3,3'-Disubstituted Octahydrobinaphtholate or 2,6-Dichlorophenylimido Ligands","Organometallics","2002","21","","409","417","10.1021/om0107441","","","0.71073","MoKα","","0.0567","0.0502","","","0.1243","0.128","","","","","","1.044","","","","has coordinates","178497","2020-10-21","18:00:00",""
"4060834","13.755","0.005","20.578","0.007","21.263","0.007","90","","90","","90","","6018","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H87 Mo N O4 -","- C68 H87 Mo N O4 -","- C272 H348 Mo4 N4 O16 -","4","1","","Richard R. Schrock; Jennifer Y. Jamieson; Sarah J. Dolman; Stephen A. Miller; Peter J. Bonitatebus, Jr.; Amir H. Hoveyda","New Chiral Molybdenum Catalysts for Asymmetric Olefin Metathesis that Contain 3,3'-Disubstituted Octahydrobinaphtholate or 2,6-Dichlorophenylimido Ligands","Organometallics","2002","21","","409","417","10.1021/om0107441","","","0.71073","MoKα","","0.1126","0.0663","","","0.1101","0.1261","","","","","","1.028","","","","has coordinates","178497","2020-10-21","18:00:00",""
"4060835","13.773","0.005","17.182","0.006","21.696","0.008","90","","90","","90","","5134","3","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H61 Cl2 Mo N O3 -","- C61 H61 Cl2 Mo N O3 -","- C244 H244 Cl8 Mo4 N4 O12 -","4","1","","Richard R. Schrock; Jennifer Y. Jamieson; Sarah J. Dolman; Stephen A. Miller; Peter J. Bonitatebus, Jr.; Amir H. Hoveyda","New Chiral Molybdenum Catalysts for Asymmetric Olefin Metathesis that Contain 3,3'-Disubstituted Octahydrobinaphtholate or 2,6-Dichlorophenylimido Ligands","Organometallics","2002","21","","409","417","10.1021/om0107441","","","0.71073","MoKα","","0.052","0.0435","","","0.0994","0.1034","","","","","","1.027","","","","has coordinates","178497","2020-10-21","18:00:00",""
"4060978","7.7942","0.0006","12.6656","0.0014","13.8021","0.0014","90","","90","","90","","1362.5","0.2","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Complex 4","","","- C8 H17 Br2 Cu N S2 -","- C8 H17 Br2 Cu N S2 -","- C32 H68 Br8 Cu4 N4 S8 -","4","1","","Conry ,Rebecca R.; Tipton, A. Alex; Striejewske, William S.; Erkizia, Edurne; Malwitz, Mark A.; Caffaratti, Angela; Natkin, Jonathan A.","Copper Complexes with N-Alkylated NS~2~-Macrocyclic Ligands: Synthesis, Characterization, and Capabilities as Aziridination Precatalysts","Organometallics","2004","23","22","5210","5218","10.1021/om040098g","","","","","","","0.0367","","","0.0775","","","","","","","","","","","has coordinates","133737","2020-10-21","18:00:00",""
"4061066","15.109","0.0002","18.867","0.0001","21.786","0.0002","90","","90","","90","","6210.35","0.11","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73.5 H67 Cl N P3 Ru -","- C73.5 H67 Cl N P3 Ru -","- C294 H268 Cl4 N4 P12 Ru4 -","4","1","","Guo, Rongwei; Lough, Alan J.; Morris, Robert H.; Song, Datong","Asymmetric Hydrogenation of Ketones Catalyzed by Ruthenium Hydride Complexes of a Beta-aminophosphine Ligand Derived from Norephedrine","Organometallics","2004","23","23","5524","5529","10.1021/om049460h","","","","","","","","","","","","","","","","","","","","","has coordinates","209927","2020-10-21","18:00:00",""
"4061071","6.8552","0.0001","12.8758","0.0002","24.8345","0.0005","90","","90","","90","","2192.05","0.06","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cl Cr N O3 Ru -","- C22 H26 Cl Cr N O3 Ru -","- C88 H104 Cl4 Cr4 N4 O12 Ru4 -","4","1","","Djukic, Jean-Pierre; Berger, Alexsandro; Duquenne, Manon; Pfeffer, Michel; de Cian, André; Kyritsakas-Gruber, Nathalie; Vachon, Jérôme; Lacour, Jérôme","Syntheses of Nonracemic Ortho-Mercurated and Ortho-Ruthenated Complexes of 2-[Tricarbonyl(η6-phenyl)chromium]pyridine","Organometallics","2004","23","24","5757","5767","10.1021/om0494667","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061075","14.0735","0.0005","14.9304","0.0008","17.1191","0.0006","90","","90","","90","","3597.1","0.3","296.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 Cl F3 O4 Ru2 S4 -","- C33 H40 Cl F3 O3 Ru2 S3 -","- C132 H160 Cl4 F12 O12 Ru8 S12 -","4","1","","Nishibayashi, Yoshiaki; Imajima, Hiroaki; Onodera, Gen; Inada, Youichi; Hidai, Masanobu; Uemura, Sakae","Preparation of Alkanechalcogenolate- and Benzenechalcogenolate-Bridged Diruthenium Complexes and Their Catalytic Activity toward Propargylation of Acetone with Propargylic Alcohol","Organometallics","2004","23","21","5100","5103","10.1021/om049475f","","","","","","","","","","","","","","","","","","","","","has coordinates","209969","2020-10-21","18:00:00",""
"4061140","15.3088","0.0013","17.2665","0.0014","17.4201","0.0014","90","","90","","90","","4604.6","0.7","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H71 Na O10 P2 -","- C43 H71 Na O10 P2 -","- C172 H284 Na4 O40 P8 -","4","1","","Liddle, Stephen T.; Izod, Keith","Synthesis and Characterization of 1,3-Diphosphapropene and Alkali-Metal 1,3-Diphosphaallyl Complexes and Unexpected 1,3-Rearrangement of a Cesium 1,3-Diphosphaallyl Complex to a Cesium Secondary Phosphanide","Organometallics","2004","23","23","5550","5559","10.1021/om049538u","","","","","","","","","","","","","","","","","","","","","has coordinates","209929","2020-10-21","18:00:00",""
"4061142","16.2814","0.0006","17.0098","0.0006","17.1196","0.0006","90","","90","","90","","4741.2","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H71 Cs O10 P2 -","- C43 H71 Cs O10 P2 -","- C172 H284 Cs4 O40 P8 -","4","1","","Liddle, Stephen T.; Izod, Keith","Synthesis and Characterization of 1,3-Diphosphapropene and Alkali-Metal 1,3-Diphosphaallyl Complexes and Unexpected 1,3-Rearrangement of a Cesium 1,3-Diphosphaallyl Complex to a Cesium Secondary Phosphanide","Organometallics","2004","23","23","5550","5559","10.1021/om049538u","","","","","","","","","","","","","","","","","","","","","has coordinates","209929","2020-10-21","18:00:00",""
"4061162","8.2","0.002","14.023","0.007","17.074","0.004","90","","90","","90","","1963.3","1.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N O3 Ta -","- C20 H28 N O3 Ta -","- C80 H112 N4 O12 Ta4 -","4","1","","Fandos, R.; Lopez-Solera, I.; Otero, A.; Rodriguez, A.M.; Ruiz, MJ.; Terreros, P.","Synthesis and Reactivity of Monocyclopentadienyl Tantalum Complexes with Pincer Dialkoxide Ligands.","Organometallics","2004","","","","","10.1021/om049582+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061171","10.399","0.003","12.562","0.005","18.042","0.005","90","","90","","90","","2356.9","1.3","253","2","253","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Cr N O3 P -","- C26 H24 Cr N O3 P -","- C104 H96 Cr4 N4 O12 P4 -","4","1","","Englert, Ulli; Hu, Chunhua; Salzer, Albrecht; Alberico, Elisabetta","Conformationally Constrained Diphosphines Derived from (η6-(S)-1-(dimethylamino)indane)Cr(CO)3: Synthesis and Application in Enantioselective Hydrogenation","Organometallics","2004","23","23","5419","5431","10.1021/om049628z","","","","","","","","","","","","","","","","","","","","","has coordinates","209920","2020-10-21","18:00:00",""
"4061173","11.123","0.0004","13.558","0.0004","19.887","0.0007","90","","90","","90","","2999.07","0.17","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 N O3 Ti -","- C35 H41 N O3 Ti -","- C140 H164 N4 O12 Ti4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061198","11.171","0.002","15.149","0.003","16.419","0.003","90","","90","","90","","2778.4","1","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O10 Pd2 -","- C26 H26 N2 O10 Pd2 -","- C104 H104 N8 O40 Pd8 -","4","1","","Kim, Mieock; Liu, Qiancai; Gabbaï, François P.","Use of an Organometallic Palladium Oxazoline Catalyst for the Hydrolysis of Methylparathion","Organometallics","2004","23","23","5560","5564","10.1021/om049687c","","","","","","","","","","","","","","","","","","","","","has coordinates","209930","2020-10-21","18:00:00",""
"4061239","17.095","0.008","17.629","0.008","19.234","0.009","90","","90","","90","","5796","5","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C70 H66 O2 P2 Pt -","- C70 H66 O2 P2 Pt -","- C280 H264 O8 P8 Pt4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049392z","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061256","11.896","0.001","12.036","0.002","15.359","0.002","90","","90","","90","","2199.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl3 Cr N3 -","- C20 H29 Cl3 Cr N3 -","- C80 H116 Cl12 Cr4 N12 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0494162","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061260","7.779","0.002","8.392","0.002","21.338","0.006","90","","90","","90","","1392.9","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Fe -","- C20 H16 Fe -","- C80 H64 Fe4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049430e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061281","9.7421","0.0007","11.9068","0.0008","16.4702","0.0011","90","","90","","90","","1910.5","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 N2 Ru S2 -","- C18 H30 N2 Ru S2 -","- C72 H120 N8 Ru4 S8 -","4","1","","Shin, Richard Y. C.; Tan, Geok Kheng; Koh, Lip Lin; Goh, Lai Yoong","Syntheses and Single Crystal X-Ray Diffraction Studies of Acyclic and Macrocyclic Aza-dithiolate (NS~2~) Complexes of (Arene)ruthenium(II). Base-Promoted Formation of Tethered Arene and Thiolate-alkylation Derivatives.","Organometallics","2004","23","26","6293","6298","10.1021/om049445c","","","","","","","","","","","","","","","","","","","","","has coordinates","133680","2020-10-21","18:00:00",""
"4061300","8.717","0.0002","16.236","0.0003","18.907","0.0004","90","","90","","90","","2675.89","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Cl4 N2 P Pd -","- C25 H29 Cl4 N2 P Pd -","- C100 H116 Cl16 N8 P4 Pd4 -","4","1","","Leca, François; Lescop, Christophe; Toupet, Loïc; Réau, Régis","A New Family of P,N-Chelates: Stereoselective Synthesis of 2-Pyridyl-2-phospholenes in the Coordination Sphere of Pd(II)-Complexes.","Organometallics","2004","23","26","6191","6201","10.1021/om049510i","","","","","","","","","","","","","","","","","","","","","has coordinates","133624","2020-10-21","18:00:00",""
"4061330","9.1046","0.0002","14.5909","0.0003","20.4658","0.0005","90","","90","","90","","2718.8","0.1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 B Cl F4 N P Ru -","- C28 H30 B Cl F4 N P Ru -","- C112 H120 B4 Cl4 F16 N4 P4 Ru4 -","4","1","","Pinto, P.; Marconi, G.; Heinemann, F. W.; Zenneck, U.","Diastereoselective Formation of Chiral-At-Metal P-Tethered Arene Ruthenium(II) Complexes.","Organometallics","2004","","","","","10.1021/om0305768","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061331","10.6195","0.0002","14.7711","0.0003","17.2983","0.0003","90","","90","","90","","2713.44","0.09","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 B Cl F4 N P Ru -","- C27 H34 B Cl F4 N P Ru -","- C108 H136 B4 Cl4 F16 N4 P4 Ru4 -","4","1","","Pinto, P.; Marconi, G.; Heinemann, F. W.; Zenneck, U.","Diastereoselective Formation of Chiral-At-Metal P-Tethered Arene Ruthenium(II) Complexes.","Organometallics","2004","","","","","10.1021/om0305768","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061375","14.0399","0.0002","22.1665","0.0003","47.2933","0.0006","90","","90","","90","","14718.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","H4Ru4(CO)10(BINAP)","","","- C54 H36 O10 P2 Ru4 -","- C54 H36 O10 P2 Ru4 -","- C648 H432 O120 P24 Ru48 -","12","3","","Tunik, Sergey P.; Pilyugina, Tatiana S.; Koshevoy, Igor O.; Selivanov, Stanislav I.; Haukka, Matti; Pakkanen, Tapani A.","Reaction of (S)-BINAP with H~4~Ru~4~(CO)~12~. The First Example of Face-Bridging BINAP Coordination and 100% Stereoselectivity in Formation of a Chiral Tetranuclear Cluster Framework","Organometallics","2004","23","3","568","579","10.1021/om034288n","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061376","13.5301","0.0002","19.7539","0.0004","20.7708","0.0004","90","","90","","90","","5551.46","0.18","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","H4Ru4(CO)9(BINAP)","","","- C59 H50 O9 P2 Ru4 -","- C59 H50 O9 P2 Ru4 -","- C236 H200 O36 P8 Ru16 -","4","1","","Tunik, Sergey P.; Pilyugina, Tatiana S.; Koshevoy, Igor O.; Selivanov, Stanislav I.; Haukka, Matti; Pakkanen, Tapani A.","Reaction of (S)-BINAP with H~4~Ru~4~(CO)~12~. The First Example of Face-Bridging BINAP Coordination and 100% Stereoselectivity in Formation of a Chiral Tetranuclear Cluster Framework","Organometallics","2004","23","3","568","579","10.1021/om034288n","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061377","14.0399","0.0002","22.1665","0.0003","47.2933","0.0006","90","","90","","90","","14718.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","H4Ru4(CO)10(BINAP)","","","- C54 H36 O10 P2 Ru4 -","- C54 H36 O10 P2 Ru4 -","- C648 H432 O120 P24 Ru48 -","12","3","","Tunik, Sergey P.; Pilyugina, Tatiana S.; Koshevoy, Igor O.; Selivanov, Stanislav I.; Haukka, Matti; Pakkanen, Tapani A.","Reaction of (S)-BINAP with H~4~Ru~4~(CO)~12~. The First Example of Face-Bridging BINAP Coordination and 100% Stereoselectivity in Formation of a Chiral Tetranuclear Cluster Framework","Organometallics","2004","23","3","568","579","10.1021/om034288n","","","","","","","","","","","","","","","","","","","","","has coordinates","202233","2020-10-21","18:00:00",""
"4061416","9.0881","0.0018","15.854","0.003","20.741","0.004","90","","90","","90","","2988.4","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H42 B10 N3 P Zr -","- C21 H42 B10 N3 P Zr -","- C84 H168 B40 N12 P4 Zr4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050079m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061417","9.0829","0.0018","15.803","0.003","20.704","0.004","90","","90","","90","","2971.8","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H42 B10 Hf N3 P -","- C21 H42 B10 Hf N3 P -","- C84 H168 B40 Hf4 N12 P4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050079m","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061423","13.277","0.002","15.354","0.003","17.415","0.003","90","","90","","90","","3550","1","250","2","250","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 Cl2 F3 N2 O3 Rh S -","- C38 H36 Cl2 F3 N2 O3 Rh S -","- C152 H144 Cl8 F12 N8 O12 Rh4 S4 -","4","1","","Maire, Pascal; Breher, Frank; Schönberg, Hartmut; Grützmacher, Hansjörg","Chiral Rhodium(I) and Iridium(I) Amino-Olefin Complexes: pK~a~, N–H Bond Dissociation Energy, and Catalytic Transfer Hydrogenation","Organometallics","2005","24","13","3207","3218","10.1021/om0500927","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061424","13.1017","0.0008","15.3873","0.0009","17.6382","0.0011","90","","90","","90","","3555.9","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H49 N2 O2 Rh -","- C44 H49 N2 O2 Rh -","- C176 H196 N8 O8 Rh4 -","4","1","","Maire, Pascal; Breher, Frank; Schönberg, Hartmut; Grützmacher, Hansjörg","Chiral Rhodium(I) and Iridium(I) Amino-Olefin Complexes: pK~a~, N–H Bond Dissociation Energy, and Catalytic Transfer Hydrogenation","Organometallics","2005","24","13","3207","3218","10.1021/om0500927","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061425","10.9913","0.0007","17.388","0.0012","22.5209","0.0015","90","","90","","90","","4304.1","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H42 F6 N4 P Rh -","- C48 H42 F6 N4 P Rh -","- C192 H168 F24 N16 P4 Rh4 -","4","1","","Maire, Pascal; Breher, Frank; Schönberg, Hartmut; Grützmacher, Hansjörg","Chiral Rhodium(I) and Iridium(I) Amino-Olefin Complexes: pK~a~, N–H Bond Dissociation Energy, and Catalytic Transfer Hydrogenation","Organometallics","2005","24","13","3207","3218","10.1021/om0500927","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061470","8.9732","0.0009","14.521","0.0011","22.7141","0.0016","90","","90","","90","","2959.6","0.4","293","1","293","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 Fe Si2 -","- C36 H30 Fe Si2 -","- C144 H120 Fe4 Si8 -","4","1","","Majchrzak, Mariusz; Marciniec, Bogdan; Kubicki, Maciej; Pawełczyk, Adam","Highly Selective Synthesis and Structural Characterization of Bis(silyl)-[3]-ferrocenophane Derivatives","Organometallics","2005","24","15","3731","3736","10.1021/om050194x","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061507","9.2413","0.0005","14.741","0.0008","15.1499","0.0008","90","","90","","90","","2063.81","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-(-)-2-(2-diphenylarsino)phenyl)-4-(isopropyl)oxazolin","","","- C24 H24 As N O -","- C24 H24 As N O -","- C96 H96 As4 N4 O4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050237+","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061557","10.406","0.002","15.428","0.003","19.548","0.004","90","","90","","90","","3138","1","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 B F4 N2 O P Pd -","- C33 H34 B F4 N2 O P Pd -","- C132 H136 B4 F16 N8 O4 P4 Pd4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050341r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061576","9.1281","0.0009","12.5047","0.001","24.788","0.002","90","","90","","90","","2829.5","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Cl2 P2 Pt -","- C30 H34 Cl2 P2 Pt -","- C120 H136 Cl8 P8 Pt4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0503646","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061608","9.5944","0.0006","12.481","0.0008","19.5848","0.0012","90","","90","","90","","2345.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl P Pd -","- C25 H28 Cl P Pd -","- C100 H112 Cl4 P4 Pd4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050421v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061609","9.2794","0.0017","9.7226","0.0018","19.725","0.004","90","","90","","90","","1779.6","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 B P -","- C21 H20 B P -","- C84 H80 B4 P4 -","4","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061610","8.249","0.005","13.548","0.011","15.057","0.008","90","","90","","90","","1682.7","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 B P -","- C19 H20 B P -","- C76 H80 B4 P4 -","4","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061611","8.775","0.001","13.861","0.001","15.155","0.001","90","","90","","90","","1843.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 B P -","- C21 H24 B P -","- C84 H96 B4 P4 -","4","1","","","","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061646","14.6335","0.0001","23.3173","0.0002","25.5322","0.0002","90","","90","","90","","8711.94","0.12","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C94 H90 N2 O10 P4 Pd3 Re2 -","- C94 H90 N2 O10 P4 Pd3 Re2 -","- C376 H360 N8 O40 P16 Pd12 Re8 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0504708","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061661","10.7043","0.0009","16.348","0.001","23.4626","0.0005","90","","90","","90","","4105.7","0.5","296.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H39 Cl P2 Ru -","- C53 H39 Cl P2 Ru -","- C212 H156 Cl4 P8 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050488i","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061663","13.6332","0.0007","14.4891","0.0007","14.9966","0.0008","90","","90","","90","","2962.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 O Rh3 S3 -","- C33 H39 O Rh3 S3 -","- C132 H156 O4 Rh12 S12 -","4","1","","Camerano,J.A.; Casado,M.A.; Ciriano,M.A.; Lahoz,F.J.; Oro,L.A.","A Trithiol Protio-Ligand and its Fixation to the Periphery of a Carbosilane Dendrimer as Scaffolds for Polynuclear Rhodium and Iridium Complexes and Metallodendrimers #","Organometallics","2005","","","","","10.1021/om0504957","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061667","5.96","0.018","7.71","0.01","31.23","0.03","90","","90","","90","","1435","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O Se -","- C16 H16 O Se -","- C64 H64 O4 Se4 -","4","1","","Das, Jaya Prakash; Roy, Ujjal Kanti; Roy, Sujit","Synthesis of Alkynyl and Vinyl Selenides via Selenodecarboxylation of Arylpropiolic and Cinnamic Acids","Organometallics","2005","24","25","6136","6140","10.1021/om050504b","","","","","","","","","","","","","","","","","","","","","has coordinates","209046","2020-10-21","18:00:00",""
"4061684","10.0732","0.0002","15.1873","0.0003","30.3618","0.0006","90","","90","","90","","4644.9","0.1","173.2","","173.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H41 F6 P2 Pd S Sb -","- C53 H41 F6 P2 Pd S Sb -","- C212 H164 F24 P8 Pd4 S4 Sb4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050537r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061686","8.8802","0.0006","9.1973","0.0007","15.0299","0.0011","90","","90","","90","","1227.55","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 Cl2 N Ti -","- C10 H17 Cl2 N Ti -","- C40 H68 Cl8 N4 Ti4 -","4","1","","Esteruelas, M. A.; López, A. M. L.; Mateo, A. C.; Oñate, E.","New Titanium Complexes Containing a Cyclopentadienyl Ligand with a Pendant Aminoalkyl Substituent: Preparation, Behavior of the Amino Group, and Catalytic Hydroamination of Alkynes","Organometallics","2005","","","","","10.1021/om050542v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061687","8.9192","0.0016","9.1904","0.0016","15.249","0.003","90","0.003","90","0.003","90","0.004","1250","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl N Ti -","- C11 H20 Cl N Ti -","- C44 H80 Cl4 N4 Ti4 -","4","1","","Esteruelas, M. A.; López, A. M. L.; Mateo, A. C.; Oñate, E.","New Titanium Complexes Containing a Cyclopentadienyl Ligand with a Pendant Aminoalkyl Substituent: Preparation, Behavior of the Amino Group, and Catalytic Hydroamination of Alkynes","Organometallics","2005","","","","","10.1021/om050542v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061707","8.2326","0.0008","20.152","0.002","20.929","0.002","90","","90","","90","","3472.3","0.6","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H33 Cl2 O P3 Pd -","- C38 H33 Cl2 O P3 Pd -","- C152 H132 Cl8 O4 P12 Pd4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om0505662","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061711","13.4669","0.0015","14.7201","0.0017","25.264","0.002","90","","90","","90","","5008.2","0.9","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C55 H48 Cl3 F6 O2 P3 Ru -","- C55 H48 Cl3 F6 O2 P3 Ru -","- C220 H192 Cl12 F24 O8 P12 Ru4 -","4","1","","Dyson, Paul J.; Geldbach, Tilmann J.; Chaplin, Adrian B.; Hänni, Kevin D.; Scopelliti, Rosario","","Organometallics","2005","","","","","10.1021/om050568m","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061720","7.9529","0.0006","16.6653","0.0011","30.83","0.002","90","","90","","90","","4086.1","0.5","139","2","139","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","LH2(Et2O)","","","- C50 H52 N2 O4 -","- C50 H52 N2 O4 -","- C200 H208 N8 O16 -","4","1","","","Aluminum derivatives of a new chiral binucleating ligand","Organometallics","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061780","8.9549","0.0013","12.856","0.002","36.668","0.005","90","","90","","90","","4221.2","1.1","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H47 Cl O9 P2 Ru -","- C44 H46 Cl O9 P2 Ru -","- C176 H184 Cl4 O36 P8 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050664n","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061781","8.947","0.002","12.85","0.003","36.617","0.007","90","","90","","90","","4209.7","1.4","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H47 Cl O9 P2 Ru -","- C44 H46 Cl O9 P2 Ru -","- C176 H184 Cl4 O36 P8 Ru4 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050664n","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061786","10.6604","0.0002","12.9606","0.0002","19.4184","0.0003","90","","90","","90","","2682.95","0.08","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 Br3 Cl2 N4 O2 Rh -","- C19 H28 Br3 Cl2 N4 O2 Rh -","- C76 H112 Br12 Cl8 N16 O8 Rh4 -","4","1","","Schneider, Nathanaëlle; César, Vincent; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Modular Assembly of a Chiral Bis(oxazolinyl)carbene: A New Meridionally Coordinating Tridentate Spectator Ligand","Organometallics","2005","24","21","4886","4888","10.1021/om0506769","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4061804","11.021","0.007","13.173","0.008","16.851","0.01","90","","90","","90","","2446","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Fe3 O8 S3 -","- C20 H14 Fe3 O8 S3 -","- C80 H56 Fe12 O32 S12 -","4","1","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Liu, Yang; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Diiron Oxadithiolate Type Models for the Active Site of Iron-Only Hydrogenases and Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2OCH2S-μ)(CO)6","Organometallics","2005","24","25","6126","6135","10.1021/om0507373","","","","","","","","","","","","","","","","","","","","","has coordinates","218786","2020-10-21","18:00:00",""
"4061813","7.9181","0.0002","13.6483","0.0004","20.6495","0.0006","90","","90","","90","","2231.56","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Mo2 S3 -","- C22 H24.876 Mo2 S3 -","- C88 H99.504 Mo8 S12 -","4","1","","","","Organometallics","2005","","","","","10.1021/om050761g","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4061836","8.4428","0.0009","9.3054","0.001","29.927","0.003","90","","90","","90","","2351.2","0.4","295","2","295","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","metallophosphorane","","","- C18 H33 B Cl F4 N2 O2 P Pt -","- C18 H33 B Cl F4 N2 O2 P Pt -","- C72 H132 B4 Cl4 F16 N8 O8 P4 Pt4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061839","10.1606","0.0012","11.2693","0.0014","20.387","0.002","90","","90","","90","","2334.3","0.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Ge N2 O2 -","- C8 H20 Ge N2 O2 -","- C64 H160 Ge8 N16 O16 -","8","2","","Zemlyansky, Nikolay N.; Borisova, Irina V.; Kuznetsova, Marianna G.; Khrustalev, Victor N.; Ustynyuk, Yuri A.; Nechaev, Mikhael S.; Lunin, Valery V.; Barrau, Jacques; Rima, Ghassoub","New Stable Germylenes, Stannylenes, and Related Compounds. 1. Stable Germanium(II) and Tin(II) Compounds M(OCH~2~CH~2~NMe~2~)~2~ (M = Ge, Sn) with Intramolecular Coordination Metal‒Nitrogen Bonds. Synthesis and Structure","Organometallics","2003","22","8","1675","1681","10.1021/om020719a","","","","","","","","","","","","","","","","","","","","","has coordinates","218196","2020-10-21","18:00:00",""
"4061893","10.05","0.0001","14.6781","0.0002","17.2111","0.0003","90","","90","","90","","2538.89","0.06","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 F6 N2 O4 Pd2 -","- C22 H24 F6 N2 O4 Pd2 -","- C88 H96 F24 N8 O16 Pd8 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061894","11.0425","0.0002","15.4028","0.0003","16.0274","0.0004","90","","90","","90","","2726.03","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 F6 N2 O4 Pd2 -","- C24 H24 F6 N2 O4 Pd2 -","- C96 H96 F24 N8 O16 Pd8 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061920","11.316","0.0008","13.8693","0.001","19.933","0.002","90","","90","","90","","3128.4","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Fe N O5 P W -","- C30 H22 Fe N O5 P W -","- C120 H88 Fe4 N4 O20 P4 W4 -","4","1","","Thanh Thien Co; Seung Whan Paek; Sang Chul Shim; Chan Sik Cho; Tae-Jeong Kim; Dong Woong Choi; Sang Ook Kang; Jong Hwa Jeong","1,2-Ferrocenediylazaphosphinines: An Unusual Coordination Behavior and Application to Allylic Alkylation","Organometallics","2003","22","","1475","","10.1021/om020929n","","","","","","","0.0594","","","0.1675","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061934","10.141","0.003","16.929","0.009","22.632","0.01","90","","90","","90","","3885.4","2.9","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H58 Cl N4 O3 Yb -","- C38 H58 Cl N4 O3 Yb -","- C152 H232 Cl4 N16 O12 Yb4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","0.0563","","","0.1018","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061935","10.09","0.002","16.9","0.003","22.53","0.005","90","","90","","90","","3841.8","1.3","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H58 Cl Lu N4 O3 -","- C32 H44 Cl Lu N4 O3 -","- C128 H176 Cl4 Lu4 N16 O12 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","0.0349","","","0.0925","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061936","10.141","0.003","16.929","0.009","22.632","0.01","90","","90","","90","","3885.4","2.9","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H58 Cl N4 O3 Yb -","- C38 H58 Cl N4 O3 Yb -","- C152 H232 Cl4 N16 O12 Yb4 -","4","1","","Roesky, Peter W.; Bürgstein, Markus R.","Chiral Bridged Aminotroponiminate Complexes of the heavy Lanthanides","Organometallics","2003","22","7","1372","1375","10.1021/om0209428","","","","","","","0.0563","","","0.1018","","","","","","","","","","","has coordinates","133630","2020-10-21","18:00:00",""
"4061937","10.09","0.002","16.9","0.003","22.53","0.005","90","","90","","90","","3841.8","1.3","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H58 Cl Lu N4 O3 -","- C38 H58 Cl Lu N4 O3 -","- C152 H232 Cl4 Lu4 N16 O12 -","4","1","","Roesky, Peter W.; Bürgstein, Markus R.","Chiral Bridged Aminotroponiminate Complexes of the heavy Lanthanides","Organometallics","2003","22","7","1372","1375","10.1021/om0209428","","","","","","","0.0349","","","0.0925","","","","","","","","","","","has coordinates,has disorder","133630","2020-10-21","18:00:00",""
"4061959","5.493","0.0011","10.448","0.002","29.985","0.006","90","","90","","90","","1720.9","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C76 H104 O16 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4061961","9.283","0.0019","11.2","0.002","23.057","0.005","90","","90","","90","","2397.2","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 Co O4 -","- C27 H37 Co O4 -","- C108 H148 Co4 O16 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4061983","10.08","0.016","15.74","0.03","23.566","0.006","90","","90","","90","","3739","10","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cr F24 O10 P2 -","- C23 H18 Cr F24 O10 P2 -","- C92 H72 Cr4 F96 O40 P8 -","4","1","","Santiago García-Granda","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4061995","10.842","0.005","18.047","0.005","21.942","0.005","90","0.005","90","0.005","90","0.005","4293","3","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H64 Li O4 P Si2 -","- C40 H64 Li O4 P Si2 -","- C160 H256 Li4 O16 P4 Si8 -","4","1","","Moores, Audrey; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","First X-Ray Crystal Study and DFT Calculations of Anionic λ^4-Phosphinines","Organometallics","2003","22","","1960","","10.1021/om030023x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062018","12.606","0.003","14.742","0.003","16.379","0.003","90","","90","","90","","3044","1","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N2 O2 S8 Sb -","- C20 H29 N2 O2 S8 Sb -","- C80 H116 N8 O8 S32 Sb4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062042","10.8742","0.0012","15.8714","0.0019","18.2411","0.0015","90","","90","","90","","3148.2","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N P Pt Si2 -","- C31 H38 N P Pt Si2 -","- C124 H152 N4 P4 Pt4 Si8 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062076","12.8392","0.0002","15.1191","0.0002","15.9153","0.0002","90","","90","","90","","3089.43","0.04","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 Cl2 I O P2 Pd -","- C25 H35 I O P2 Pd -","- C100 H140 I4 O4 P8 Pd4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062079","10.0552","0.0002","13.6464","0.0002","19.1738","0.0002","90","","90","","90","","2630.97","0.08","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 Cl2 I2 P2 Pd -","- C19 H30 Cl2 I2 P2 Pd -","- C76 H120 Cl8 I8 P8 Pd4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062080","10.0378","0.0005","14.0799","0.0007","17.7203","0.0008","90","","90","","90","","2504.4","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl4 P2 Pd -","- C19 H28 Cl4 P2 Pd -","- C76 H112 Cl16 P8 Pd4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062134","19.693","0.004","10.35","0.002","13.524","0.003","90","","90","","90","","2756.5","0.9","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 Cl3 Mo N2 O3 -","- C30 H23 Cl3 Mo N2 O3 -","- C120 H92 Cl12 Mo4 N8 O12 -","4","1","","Morales, Dolores; Navarro Clemente, M. Elena; Pérez, Julio; Riera, Lucía; Riera, Víctor; Miguel, Daniel","Reactivity of [MCl(η^3^-allyl)(1,10-phenanthroline)(CO)2] (M = Mo, W) Complexes toward Enolate Anions","Organometallics","2003","22","20","4124","4128","10.1021/om030275y","","","","","","","","","","","","","","","","","","","","","has coordinates","192075","2020-10-21","18:00:00",""
"4062163","11.8097","0.0008","15.7004","0.0011","20.7826","0.0015","90","","90","","90","","3853.4","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2,6-Mes2C6H3)2Ga(OH)0.70H0.30","","","- C48 H51 Ga O0.7 -","- C48 H51 Ga O0.7 -","- C192 H204 Ga4 O2.8 -","4","1","","Wehmschulte, Rudolf J.; Steele, Jared M.; Khan, Masood A.","Diterphenylgallium Alkyls and Hydride: Synthesis, Characterization, and Reactivity","Organometallics","2003","22","23","4678","4684","10.1021/om030318a","","","","","","","","","","","","","","","","","","","","","has coordinates","192121","2020-10-21","18:00:00",""
"4062188","9.7892","0.0001","15.4362","0.0002","28.0419","0.0004","90","","90","","90","","4237.36","0.09","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H69 Al2 N2 Sb Si2 -","- C34 H69 Al2 N2 Sb Si2 -","- C136 H276 Al8 N8 Sb4 Si8 -","4","1","","Thomas, Florian; Schulz, Stephan; Nieger, Martin","Unexpected Rearangement reaction of Lewis-Base Stabilized Group 13/15 Compounds with Group 13 Trialkyls","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062209","10.006","0.004","12.069","0.005","17.325","0.008","90","","90","","90","","2092.2","1.6","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Fe2 N0 O4 Si -","- C22 H22 Fe2 O4 Si -","- C88 H88 Fe8 O16 Si4 -","4","1","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062211","9.937","0.003","12.085","0.004","17.485","0.005","90","","90","","90","","2099.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Fe2 Ge O4 -","- C22 H22 Fe2 Ge O4 -","- C88 H88 Fe8 Ge4 O16 -","4","1","","Wang, Baiquan; Zhu, Bolin; Zhang, Jianyong; Xu, Shansheng; Zhou, Xiuzhong; Weng, Linhong","Reactions of Doubly Bridged Bis(cyclopentadienes) with Iron Pentacarbonyl","Organometallics","2003","22","26","5543","5555","10.1021/om030364a","","","","","","","","","","","","","","","","","","","","","has coordinates","218189","2020-10-21","18:00:00",""
"4062218","9.2","0.0007","17.677","0.001","18.03","0.001","90","","90","","90","","2932.2","0.3","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H49 N2 O Si2 Y -","- C24 H49 N2 O Si2 Y -","- C96 H196 N8 O4 Si8 Y4 -","4","1","","Voth, Peter; Spaniol, Thomas P.; Okuda, Jun","Yttrium Alkyl and Hydrido Complexes Containing a Tridentate Linked Amido-Cyclopentadienyl Ligand","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062235","11.19","0.001","14.014","0.003","18.878","0.002","90","","90","","90","","2960.3","0.6","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H43 Ir O P2 -","- C30 H43 Ir O P2 -","- C120 H172 Ir4 O4 P8 -","4","1","","Haley, Michael M.; Gilbertson, Robert D.; Lau, Thomas L.S; Lanza, Seren; Wu, He-Ping; Weakley, Timothy J.R.","Synthesis, structure, and spectroscopy of a family of iridabenzenes generated by the reaction of Vaska-type complexes with a nucleophilic 3-vinyl-1-cyclopropene.","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062282","15.9934","0.0009","23.5445","0.0012","11.4333","0.0006","90","0.001","90","0.001","90","0.001","4305.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H67 F2 N Si3 -","- C42 H67 F2 N Si3 -","- C168 H268 F8 N4 Si12 -","4","1","","Ionkin, Alex S.; Marshall, William J.","Synthesis and Unusual Thermal Behavior of (Lithium phosphino/amino) Difluorosilanes","Organometallics","2003","22","20","4136","4144","10.1021/om0304412","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4062292","10.2133","0.0006","12.0658","0.0007","16.1707","0.0009","90","","90","","90","","1992.7","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 P Re S -","- C19 H26 O2 P Re S -","- C76 H104 O8 P4 Re4 S4 -","4","1","","Godoy, Fernando; Klahn, A. Hugo; Lahoz, Fernando J.; Balana, Ana I.; Oelckers, Beatriz; Oro, Luis A.","Syntheses and Reactivity of Functionalized (η^5^-Tetramethylcyclopentadienyl) Rhenium Complexes: Molecular Structures of (η^5^:η^2^-C~5~Me~4~CH~2~CH~2~CH=CH~2~)Re(CO)~2~ and (η^5^-C~5~Me~4~CH~2~-2-C~4~H~3~S)Re(CO)~2~(PMe~3~)","Organometallics","2003","22","24","4861","4868","10.1021/om030443m","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062293","6.0317","0.0001","20.6003","0.0002","20.667","0.0002","90","","90","","90","","2567.97","0.06","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 Fe N2 O3 -","- C31 H34 Fe N2 O3 -","- C124 H136 Fe4 N8 O12 -","4","1","","Muñiz, Kilian; Nieger, Martin","Ferrocenyl-substituted Cinchona Alkaloids: Synthesis, Structure and Application in Asymmetric Catalytic Oxidation","Organometallics","2003","22","22","4616","4619","10.1021/om0304457","","","","","","","","","","","","","","","","","","","","","has coordinates","192117","2020-10-21","18:00:00",""
"4062368","11.8166","0.0001","11.9664","0.0001","17.0426","0.0002","90","","90","","90","","2409.86","0.04","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 O11 Ru3 -","- C17 H15 N3 O11 Ru3 -","- C68 H60 N12 O44 Ru12 -","4","1","","Liu, Yu-Chiao; Yeh, Wen-Yann; Lee, Gene-Hsiang; Peng, Shie-Ming","One-Step Synthesis of [HM~3~(CO)~11~]-from M~3~(CO)~12~ (M = Fe, Ru, Os) via Unusual Hydride Transfer from 1,3,5-Trimethyl-1,3,5-triazacyclohexane","Organometallics","2003","22","20","4163","4166","10.1021/om034027d","","","","","","","","","","","","","","","","","","","","","has coordinates","192078","2020-10-21","18:00:00",""
"4062389","12.739","0.004","15.984","0.006","8.96","0.003","90","","90","","90","","1824","1","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl2 N4 Zr -","- C14 H28 Cl2 N4 Zr -","- C56 H112 Cl8 N16 Zr4 -","4","1","","Carpentier, Jean-François; Martin, Alfredo; Swenson, Dale C.; Jordan, Richard F.","Synthesis, Stereochemistry, and Reactivity of Group 4 Metal Complexes That Contain a Chiral Tetradentate Diamine-Diamide Ligand","Organometallics","2003","22","24","4999","5010","10.1021/om0340443","","","","","","","0.0483","","","0.0834","","","","","","","","","","","has coordinates,has disorder","192144","2020-10-21","18:00:00",""
"4062397","11.0731","0.0006","18.224","0.001","12.0902","0.0006","90","","90","","90","","2439.8","0.2","195","2","195","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Cl2 N3 Pd -","- C25 H29 Cl2 N3 Pd -","- C100 H116 Cl8 N12 Pd4 -","4","1","","Bonnet, Ludovic G.; Douthwaite, Richard E.; Kariuki, Benson M.","Synthesis of New Chiral N-Heterocyclic Carbene-Imine Ligands and Their Application to an Asymmetric Allylic Alkylation Reaction","Organometallics","2003","22","21","4187","4189","10.1021/om034050z","","","","","","","","","","","","","","","","","","","","","has coordinates","192079","2020-10-21","18:00:00",""
"4062402","12.497","0.003","15.426","0.003","23.201","0.005","90","","90","","90","","4472.9","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H69 Cl2 N2 P Ru -","- C47 H69 Cl2 N2 P Ru -","- C188 H276 Cl8 N8 P4 Ru4 -","4","1","","","","Organometallics","2003","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062426","8.5447","0.0019","13.83","0.003","20.59","0.004","90","","90","","90","","2433.1","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl N2 O -","- C28 H32 Cl N2 O -","- C112 H128 Cl4 N8 O4 -","4","1","","Xie, Yong-Rong; Wang, Xi-Sen; Zhao, Hong; Zhang, Jing; Weng, Ling-Hong; Duan, Cun-Ying; Xiong, Ren-Gen; You, Xiao-Zeng; Xue, Zi-Ling","Unprecedented Homochiral Olefin-Copper(I) 2D Coordination Polymer Grid Based on Chiral Ammonium Salts as Building Blocks","Organometallics","2003","22","22","4396","4398","10.1021/om034077i","","","","","","","","","","","","","","","","","","","","","has coordinates","192093","2020-10-21","18:00:00",""
"4062509","8.472","0.004","14.295","0.007","19.506","0.009","90","","90","","90","","2362","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 Cl N P Zr -","- C22 H37 Cl N P Zr -","- C88 H148 Cl4 N4 P4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030631c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062510","11.354","0.006","15.765","0.008","16.78","0.009","90","","90","","90","","3004","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 N P Zr -","- C31 H46 N P Zr -","- C124 H184 N4 P4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om030631c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062569","7.999","0.0003","23.0146","0.0008","8.709","0.0003","90","","90","","90","","1603.27","0.1","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(dimethylsilyl)(dimethylfluorosilyl)niobocene hydrid","bis(cyclopentadienyl)(dimethylsilyl) (dimethylfluorosilyl)(hydrido) niobium (V)","","- C14 H24 F Nb Si2 -","- C14 H23 F Nb Si2 -","- C56 H92 F4 Nb4 Si8 -","4","1","","Dorogov, Konstantin Yu.; Dumont, Elise; Ho, Nam-Nhat; Churakov, Andrei V.; Kuzmina, Lyudmila G.; Poblet, Josep-Maria; Schultz, Arthur J.; Howard, Judith A. K.; Bau, Robert; Lledos, Agusti; Nikonov, Georgii I.","Neutron and X-ray Diffraction Studies and DFT Calculations of Asymmetric Bis(silyl) Niobocene Hydrides","Organometallics","2004","23","12","2845","2847","10.1021/om034239a","","","0.71073","MoKα","","0.0278","0.0262","","","0.0643","0.0653","","","1.43","","","1.053","","","","has coordinates","246744","2020-10-21","18:00:00",""
"4062599","6.8184","0.0006","16.05","0.0015","18.0676","0.0017","90","","90","","90","","1977.2","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 Cl N2 Pd -","- C18 H29 Cl N2 Pd -","- C72 H116 Cl4 N8 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034319e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062612","15.287","0.005","18.889","0.007","33.168","0.011","90","","90","","90","","9577","6","193","2","193","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C44 H57 F6 N2 O Os P2 Sb Si -","- C44 H57 F6 N2 O Os P2 Sb Si -","- C352 H456 F48 N16 O8 Os8 P16 Sb8 Si8 -","8","2","","Wilson, Scott R.; Prussak-Wieckowska, Teresa","","Organometallics","2004","","","","","10.1021/om034329f","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062622","13.5396","0.0002","18.1218","0.0002","18.556","0.0002","90","","90","","90","","4552.94","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H74 N3 Sc -","- C48 H74 N3 Sc -","- C192 H296 N12 Sc4 -","4","1","","Knight, L.; Piers, W. E.; Fleurat-Lessard, P.; Parvez, M.; McDonald, R.","β-Diketiminato Scandium Chemistry: Synthesis, Characterization, and Thermal Behavior of Primary Amido Alkyl Derivatives","Organometallics","2004","23","","2087","2094","10.1021/om034345c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062653","13.465","0.005","27.531","0.01","29.197","0.01","90","","90","","90","","10823","7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H104 N4 O18 Ti4 -","- C96 H96 N4 O18 Ti4 -","- C384 H384 N16 O72 Ti16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om034408r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062660","12.462","0.001","16.896","0.001","17.501","0.001","90","","90","","90","","3685","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 Al N2 O2 -","- C16 H29 Al N2 O2 -","- C128 H232 Al8 N16 O16 -","8","2","","Dagorne Samuel; Bellemin-Laponnaz Stephane; Welter Richard","Synthesis and Structure of Neutral and Cationic Aluminium Complexes Incorporating Bis-Oxazolinato Ligands.","Organometallics","2004","","","","","10.1021/om0400245","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062682","9.0223","0.0014","9.8916","0.0016","42.043","0.007","90","","90","","90","","3752.1","1","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H64 Cl2 P2 Ru -","- C39 H63.6 Cl2 P2 Ru -","- C156 H254.4 Cl8 P8 Ru4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049370c","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062705","6.6123","0.0004","12.2114","0.0007","21.4058","0.0012","90","","90","","90","","1728.42","0.17","115","2","115","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 B Br F4 Fe O5 -","- C14 H12 B Br F4 Fe O5 -","- C56 H48 B4 Br4 F16 Fe4 O20 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049523w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062730","10.955","0.002","13.275","0.003","17.147","0.003","90","","90","","90","","2493.6","0.8","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 Al F N Zr -","- C25 H35 Al F N Zr -","- C100 H140 Al4 F4 N4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049589r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062731","11.008","0.002","13.164","0.003","17.199","0.003","90","","90","","90","","2492.3","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Al N Zr -","- C25 H36 Al N Zr -","- C100 H144 Al4 N4 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049589r","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062735","16.906","0.003","19.819","0.003","21.176","0.003","90","","90","","90","","7095","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H120 Mg2 N7 O9 P -","- C64 H120 Mg2 N7 O9 P -","- C256 H480 Mg8 N28 O36 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049594v","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062741","19.4022","0.0007","19.4494","0.0009","15.0123","0.0007","90","","90","","90","","5665","0.4","150.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H44 B F24 Fe4 -","- C60 H44 B F24 Fe4 -","- C240 H176 B4 F96 Fe16 -","4","1","","Masaaki Okazaki","","Organometallics","2004","","","","","10.1021/om049606c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062749","11.7088","0.0011","12.1654","0.0012","23.021","0.002","90","","90","","90","","3279.1","0.5","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H41 F3 N2 O4 Pd S -","- C33 H41 F3 N2 O4 Pd S -","- C132 H164 F12 N8 O16 Pd4 S4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0496131","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062764","9.8568","0.0008","15.241","0.001","25.541","0.004","90","","90","","90","","3837","0.7","293","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 Br N2 Rh -","- C17 H26 Br N2 Rh -","- C136 H208 Br8 N16 Rh8 -","8","2","","Hoogervorst, Wilhelmus J.; Goubitz, Kees; Fraanje, Jan; Lutz, Martin; Spek, Anthony L.; Ernsting, Jan Meine; Elsevier, Cornelis J.","Bis(imino)arylrhodium(III) Halide and Methyl Compounds","Organometallics","2004","","","","","10.1021/om049619q","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4062787","10.3531","0.0006","15.7202","0.0014","17.6461","0.0015","90","","90","","90","","2872","0.4","294","","294","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 F2 N O2 P2 Pd -","- C26 H37 F2 N O2 P2 Pd -","- C104 H148 F8 N4 O8 P8 Pd4 -","4","1","","Fan, L.; Yang, L.; Foxman, B. M.; Ozerov, O. V.","N-C Cleavage in Pincer PNP Complexes of Palladium","Organometallics","2004","23","20","4778","4787","10.1021/om049651k","","","","","","","","","","","","","","","","","","","","","has coordinates","209076","2020-10-21","18:00:00",""
"4062801","11.861","0.005","15.411","0.005","18.36","0.003","90","","90","","90","","3356.1","1.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H36 B Cl F4 P2 Ru -","- C35 H36 B Cl F4 P2 Ru -","- C140 H144 B4 Cl4 F16 P8 Ru4 -","4","1","","Daguenet, Corinne; Scopelliti, Rosario; Dyson, Paul J.","Mechanistic investigations on the hydrogenation of alkenes using ruthenium(II)-arene diphosphine complexes","Organometallics","2004","","","","","10.1021/om049665q","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4062802","12.4176","0.0006","15.2102","0.0007","17.3187","0.001","90","","90","","90","","3271","0.3","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 B Cl F4 P2 Ru -","- C36 H38 B Cl F4 P2 Ru -","- C144 H152 B4 Cl4 F16 P8 Ru4 -","4","1","","Daguenet, Corinne; Scopelliti, Rosario; Dyson, Paul J.","Mechanistic investigations on the hydrogenation of alkenes using ruthenium(II)-arene diphosphine complexes","Organometallics","2004","","","","","10.1021/om049665q","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062815","12.912","0.0002","14.19","0.0002","23.156","0.0005","90","","90","","90","","4242.67","0.13","173","1","173","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C43 H39 Cl2 F10 O P Pt Ru -","- C43 H39 Cl2 F10 O P Pt Ru -","- C172 H156 Cl8 F40 O4 P4 Pt4 Ru4 -","4","1","","Jesœs R. Berenguer; Mar’a Bernechea; Juan ForniŽs; Ana Garc’a; Elena Lalinde","(p-cymene)Ruthenium(II)(diphenylphosphino)alkyne Complexes: Preparation of (m-Cl)(m-PPh2CCR) Bridged Ru/Pt Heterobimetallic Complexes.","Organometallics","2004","","","","","10.1021/om049676j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062875","12.018","0.002","14.031","0.004","15.439","0.003","90","0.02","90","0.014","90","0.02","2603.4","1","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 Cl Fe P2 Pd -","- C24 H39 Cl Fe P2 Pd -","- C96 H156 Cl4 Fe4 P8 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0497285","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4062909","11.021","0.007","13.173","0.008","16.851","0.01","90","","90","","90","","2446","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Fe3 O8 S3 -","- C20 H14 Fe3 O8 S3 -","- C80 H56 Fe12 O32 S12 -","4","1","","Song, Li-Cheng; Yang, Zhi-Yong; Bian, Hong-Zhu; Hu, Qing-Mei","Novel Single and Double Diiron Oxadithiolates as Models for the Active Site of [Fe]-Only Hydrogenases","Organometallics","2004","23","13","3082","3084","10.1021/om049752i","","","","","","","","","","","","","","","","","","","","","has coordinates","218787","2020-10-21","18:00:00",""
"4062997","9.5852","0.0002","14.042","0.0003","20.0909","0.0005","90","","90","","90","","2704.14","0.11","298","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 N Ni P -","- C33 H29 N Ni P -","- C132 H116 N4 Ni4 P4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om0498145","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063000","10.0233","0.0006","15.855","0.001","18.8535","0.0012","90","","90","","90","","2996.2","0.3","218","2","218","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 Fe I P2 Pd -","- C30 H41 Fe I P2 Pd -","- C120 H164 Fe4 I4 P8 Pd4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049818+","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063023","9.6245","0.0011","9.7384","0.001","38.395","0.004","90","","90","","90","","3598.7","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H51 B Li2 N6 O3 -","- C33 H51 B Li2 N6 O3 -","- C132 H204 B4 Li8 N24 O12 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063026","11.757","0.001","14.3783","0.0002","15.4551","0.0002","90","","90","","90","","2612.62","0.05","298","2","298","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 B F4 N O2 P Pd -","- C26 H27 B F4 N O2 P Pd -","- C104 H108 B4 F16 N4 O8 P4 Pd4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","0.031","","","0.0674","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063027","9.8551","0.0002","13.8146","0.0001","21.6204","0.0002","90","","90","","90","","2943.49","0.07","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 F6 N O2 P2 Pd -","- C27 H29 F6 N O2 P2 Pd -","- C108 H116 F24 N4 O8 P8 Pd4 -","4","1","","","","Organometallics","2004","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063032","9.4374","0.0003","14.3873","0.0004","15.1505","0.0005","90","","90","","90","","2057.12","0.11","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 Cl2 N2 Zr -","- C17 H30 Cl2 N2 Zr -","- C68 H120 Cl8 N8 Zr4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049835z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063054","11.218","0.004","12.606","0.01","28.93","0.02","90","","90","","90","","4092","5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 Cl2 Mn N4 -","- C40 H62 Cl2 Mn N4 -","- C160 H248 Cl8 Mn4 N16 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049857l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063055","10.007","0.002","16.985","0.003","20.081","0.004","90","","90","","90","","3413.3","1.2","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H54 Mn N2 O -","- C38 H54 Mn N2 O -","- C152 H216 Mn4 N8 O4 -","4","1","","Chai, Jianfang; Zhu, Hongping; Roesky, Herbert W.; He, Cheng; Schmidt, Hans-Georg; Noltemeyer, Mathias","Synthesis, Structure, and Reactivity of β-Diketiminate Complexes of Manganese(II)","Organometallics","2004","23","13","3284","","10.1021/om049857l","","","","","","","","","","","","","","","","","","","","","has coordinates","275412","2022-05-13","09:30:07",""
"4063062","6.2541","0.0005","10.3327","0.0006","15.1307","0.0009","90","","90","","90","","977.77","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H14 Al Cl2 N -","- C5 H14 Al Cl2 N -","- C20 H56 Al4 Cl8 N4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049861x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063124","10.002","0.002","12.855","0.003","19.902","0.004","90","","90","","90","","2558.9","0.9","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cr N Si -","- C29 H39 Cr N Si -","- C116 H156 Cr4 N4 Si4 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049901x","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063145","12.0961","0.0001","16.2988","0.0001","16.5371","0.0002","90","","90","","90","","3260.32","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 Fe2 O3 S2 -","- C35 H40 Fe2 O3 S2 -","- C140 H160 Fe8 O12 S8 -","4","1","","","","Organometallics","2004","","","","","10.1021/om049924b","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063195","8.6646","0.0002","9.6965","0.0001","25.4076","0.0006","90","","90","","90","","2134.65","0.07","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H4 As Cl F18 -","- C18 H4 As Cl F18 -","- C72 H16 As4 Cl4 F72 -","4","1","","Neil Burford; Charles L. B. Macdonald; Daren J. LeBlanc; T. Stanley Cameron","Synthesis and Characterization of Bis(2,4,6-tris(trifluoromethyl)phenyl) Derivatives of Arsenic and Antimony: X-ray Crystal Structures of As(RF)2Cl, Sb(RF)2Cl, and Sb(RF)2OSO2CF3","Organometallics","2000","19","","152","155","10.1021/om990768w","","","0.71073","MoKα","","0.0403","0.0334","","","0.0775","0.0822","","","","","","1.062","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063198","16.172","0.004","17.758","0.002","9.119","0.001","90","","90","","90","","2618.8","0.6","296","1","296","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H4 F21 O3 S Sb -","- C19 H4 F21 O3 S Sb -","- C76 H16 F84 O12 S4 Sb4 -","4","1","","Neil Burford; Charles L. B. Macdonald; Daren J. LeBlanc; T. Stanley Cameron","Synthesis and Characterization of Bis(2,4,6-tris(trifluoromethyl)phenyl) Derivatives of Arsenic and Antimony: X-ray Crystal Structures of As(RF)2Cl, Sb(RF)2Cl, and Sb(RF)2OSO2CF3","Organometallics","2000","19","","152","155","10.1021/om990768w","","","0.71069","MoKα","","","0.043","","","0.044","0.044","","","","","","1.4","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4063243","11.8543","0.0009","13.4082","0.0011","19.2254","0.0015","90","","90","","90","","3055.8","0.4","153","2","153","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 B Cl2 N8 O4 P W -","- C24 H34 B Cl2 N8 O4 P W -","- C96 H136 B4 Cl8 N32 O16 P4 W4 -","4","1","","Kimberley C. Bassett; Fei You; Peter M. Graham; William H. Myers; Michal Sabat; W. Dean Harman","Furan [3 + 2] Dipolar Cycloadditions Promoted by a π-Basic Tungsten Metal Fragment","Organometallics","2006","25","2","435","439","10.1021/om0506926","","","0.71073","MoKα","","0.02","0.0187","","","0.0377","0.0378","","","","","","0.857","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063244","11.4958","0.0007","13.848","0.0008","17.6576","0.001","90","","90","","90","","2811","0.3","153","2","153","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 B Cl2 N8 O2 P W -","- C22 H32 B Cl2 N8 O2 P W -","- C88 H128 B4 Cl8 N32 O8 P4 W4 -","4","1","","Kimberley C. Bassett; Fei You; Peter M. Graham; William H. Myers; Michal Sabat; W. Dean Harman","Furan [3 + 2] Dipolar Cycloadditions Promoted by a π-Basic Tungsten Metal Fragment","Organometallics","2006","25","2","435","439","10.1021/om0506926","","","0.71073","MoKα","","0.0457","0.0375","","","0.0685","0.0702","","","","","","0.922","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063247","9.031","0.0002","15.233","0.0003","19.733","0.0004","90","","90","","90","","2714.65","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 F6 Fe P4 -","- C25 H36 F6 Fe P4 -","- C100 H144 F24 Fe4 P16 -","4","1","","Andrew R. Battle; Peter G. Edwards; Robert Haigh; David E. Hibbs; Dongmei Li; Sam M. Liddiard; Paul D. Newman","Synthesis and Characterization of Iron(II) Complexes of 10- and 11-Membered Triphosphamacrocycles","Organometallics","2007","26","","377","386","10.1021/om060798g","","","0.71073","MoKα","","0.0602","0.0403","","","0.0875","0.0955","","","","","","1.065","","","","has coordinates","120119","2020-10-21","18:00:00",""
"4063264","10.031","0.013","11.34","0.02","24.499","0.008","90","","90","","90","","2787","6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N2 P Pd -","- C30 H37 N2 P Pd -","- C120 H148 N8 P4 Pd4 -","4","1","","Andreas A. Danopoulos; Nikolaos Tsoureas; Stuart A. Macgregor; Christopher Smith","Phosphine- and Pyridine-Functionalized N-Heterocyclic Carbene Methyl and Allyl Complexes of Palladium. Unexpected Regiospecificity of the Protonation Reaction of the Dimethyl Complexes","Organometallics","2007","26","","253","263","10.1021/om0608408","","","0.71073","MoKα","","0.0785","0.0483","","","0.0852","0.0959","","","","","","1.028","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063293","9.9197","0.0003","18.2649","0.0005","29.1376","0.0008","90","","90","","90","","5279.2","0.3","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H50 Mo2 O8 P2 S4 W2 -","- C50 H50 Mo2 O8 P2 S4 W2 -","- C200 H200 Mo8 O32 P8 S16 W8 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","","0.71073","MoKα","","0.04","0.03","","","0.0762","0.1068","","","","","","1.038","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063302","12.4867","0.0004","17.7135","0.0005","19.7659","0.0006","90","","90","","90","","4371.9","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H52 Mo O3 P2 S3 W -","- C44 H52 Mo O3 P2 S3 W -","- C176 H208 Mo4 O12 P8 S12 W4 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","","0.71073","mokα","","0.0244","0.0209","","","0.0463","0.0468","","","","","","1.085","","","","has coordinates","189838","2020-10-21","18:00:00",""
"4063446","10.635","0.003","13.808","0.003","15.447","0.004","90","","90","","90","","2268.4","1","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 Au Cl3 N2 -","- C21 H24 Au Cl3 N2 -","- C84 H96 Au4 Cl12 N8 -","4","1","","Gaillard, Sylvain; Slawin, Alexandra M. Z.; Bonura, Allen T.; Stevens, Edwin D.; Nolan, Steven P.","Synthetic and Structural Studies of [AuCl3(NHC)] Complexes","Organometallics","2010","29","2","394","","10.1021/om900814e","","","0.71073","MoKα","","0.0406","0.0353","","","0.0539","0.0563","","","","","","1.026","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063468","12.7338","0.0003","13.393","0.0003","13.9952","0.0004","90","","90","","90","","2386.79","0.1","170","2","170","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 Cl F6 Mo2 P S4 -","- C15 H24 Cl F6 Mo2 P S4 -","- C60 H96 Cl4 F24 Mo8 P4 S16 -","4","1","","Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean","Carbon‒Sulfur and Carbon‒Halogen Bond Cleavage of Acyclic or Cyclic Thioethers, Thiophenes, and Dihaloalkanes with the Trithiolato-Bridged Cation [Mo2Cp2(μ-SMe)3(MeCN)2]+","Organometallics","2010","29","2","448","462","10.1021/om900901s","","","0.71073","MoKα","","0.0371","0.0254","","","0.0491","0.0528","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4063484","11.1298","0.0004","18.3889","0.0007","27.0464","0.001","90","","90","","90","","5535.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H47 Cl11 O5 P2 Pd -","- C53 H47 Cl11 O5 P2 Pd -","- C212 H188 Cl44 O20 P8 Pd4 -","4","1","","Robert, Tobias; Abiri, Zohar; Wassenaar, Jeroen; Sandee, Albertus J.; Romanski, Steffen; Neudörfl, Jörg-Martin; Schmalz, Hans-Günther; Reek, Joost N. H.","Asymmetric Hydroformylation Using Taddol-Based Chiral Phosphine−Phosphite Ligands","Organometallics","2010","29","2","478","483","10.1021/om9009735","","","0.71073","MoKα","","0.0391","0.0316","","","0.0654","0.0672","","","","","","1.02","","","","has coordinates","178529","2020-10-21","18:00:00",""
"4063506","8.6715","0.0002","10.7016","0.0002","14.3849","0.0003","90","","90","","90","","1334.9","0.05","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H7 B F4 O3 Ru -","- C12 H7 B F4 O3 Ru -","- C48 H28 B4 F16 O12 Ru4 -","4","1","","Badger, Robert C.; D'Acchioli, Jason S.; Gamoke, Benjamin C.; Kim, Sang Bok; Oudenhoven, Tracey A.; Sweigart, Dwight A.; Tanke, Robin S.","Chemical, Electrochemical, and Theoretical Investigations of [(Cp)Ru(CO)3]+and [(Ind)Ru(CO)3]+","Organometallics","2009","28","2","418","424","10.1021/om800767g","","","1.54178","CuKα","","0.0203","0.0196","","0.0475","0.0472","0.0475","","","","","","0.9904","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063517","9.436","0.004","10.31","0.005","21.063","0.01","90","","90","","90","","2049.1","1.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 F3 N3 O5 S -","- C18 H22 F3 N3 O5 S -","- C72 H88 F12 N12 O20 S4 -","4","1","","Vicente, José; Saura-Llamas, Isabel; García-López, José-Antonio; Bautista, Delia","Insertion of Isocyanides, Isothiocyanates, and Carbon Monoxide into the Pd‒C Bond of Cyclopalladated Complexes Containing Primary Arylalkylamines of Biological and Pharmaceutical Significance. Synthesis of Lactams and Cyclic Amidinium Salts Related to the Isoquinoline, Benzo[g]isoquinoline, and β-Carboline Nuclei","Organometallics","2009","28","2","448","464","10.1021/om800951k","","","0.71073","MoKα","","0.0386","0.0374","","","0.0924","0.0932","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063518","12.9743","0.001","14.565","0.0011","15.1878","0.0012","90","","90","","90","","2870","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Cl N4 O2 Pd -","- C30 H31 Cl N4 O2 Pd -","- C120 H124 Cl4 N16 O8 Pd4 -","4","1","","Vicente, José; Saura-Llamas, Isabel; García-López, José-Antonio; Bautista, Delia","Insertion of Isocyanides, Isothiocyanates, and Carbon Monoxide into the Pd‒C Bond of Cyclopalladated Complexes Containing Primary Arylalkylamines of Biological and Pharmaceutical Significance. Synthesis of Lactams and Cyclic Amidinium Salts Related to the Isoquinoline, Benzo[g]isoquinoline, and β-Carboline Nuclei","Organometallics","2009","28","2","448","464","10.1021/om800951k","","","0.71073","MoKα","","0.0224","0.0218","","","0.0541","0.0545","","","","","","1.062","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063521","6.0656","0.0003","15.669","0.0008","25.2834","0.0014","90","","90","","90","","2403","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","2","","Vicente, José; Saura-Llamas, Isabel; García-López, José-Antonio; Bautista, Delia","Insertion of Isocyanides, Isothiocyanates, and Carbon Monoxide into the Pd‒C Bond of Cyclopalladated Complexes Containing Primary Arylalkylamines of Biological and Pharmaceutical Significance. Synthesis of Lactams and Cyclic Amidinium Salts Related to the Isoquinoline, Benzo[g]isoquinoline, and β-Carboline Nuclei","Organometallics","2009","28","2","448","464","10.1021/om800951k","","","0.71073","MoKα","","0.0742","0.0534","","","0.0947","0.1005","","","","","","1.049","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063531","16.5218","0.0008","16.918","0.0009","17.2491","0.001","90","","90","","90","","4821.4","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C47 H52 F3 N2 O5 P2 Rh S3 -","- C47 H52 F3 N2 O5 P2 Rh S3 -","- C188 H208 F12 N8 O20 P8 Rh4 S12 -","4","1","","Achard, Thierry; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Cationic Rhodium (I) Complexes ofN-Phosphino-tert-butylsulfinamide Ligands: Synthesis, Structure, and Coordination Modes","Organometallics","2009","28","2","480","487","10.1021/om8006823","","","0.71073","MoKα","","0.0566","0.0461","","","0.118","0.1281","","","","","","1.045","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4063532","10.7401","0.0003","11.1503","0.0003","27.2682","0.0007","90","","90","","90","","3265.51","0.15","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 F3 N O4 P Rh S2 -","- C32 H38 F3 N O4 P Rh S2 -","- C128 H152 F12 N4 O16 P4 Rh4 S8 -","4","1","","Achard, Thierry; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Cationic Rhodium (I) Complexes ofN-Phosphino-tert-butylsulfinamide Ligands: Synthesis, Structure, and Coordination Modes","Organometallics","2009","28","2","480","487","10.1021/om8006823","","","0.71073","MoKα","","0.0222","0.0214","","","0.0562","0.0566","","","","","","1.066","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063533","15.1868","0.0006","17.2369","0.0006","19.5574","0.0007","90","","90","","90","","5119.6","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C47 H76 F3 N2 O5 P2 Rh S3 -","- C47 H76 F3 N2 O5 P2 Rh S3 -","- C188 H304 F12 N8 O20 P8 Rh4 S12 -","4","1","","Achard, Thierry; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Cationic Rhodium (I) Complexes ofN-Phosphino-tert-butylsulfinamide Ligands: Synthesis, Structure, and Coordination Modes","Organometallics","2009","28","2","480","487","10.1021/om8006823","","","0.71073","MoKα","","0.0402","0.035","","","0.0826","0.0852","","","","","","1.041","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063545","9.382","0.009","9.629","0.01","18.61","0.012","90","","90","","90","","1681","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 P S Si -","- C16 H21 P S Si -","- C64 H84 P4 S4 Si4 -","4","1","","Gessner, Viktoria H.","Formation of a Palladium Thioketone Complex from a Thiophosphinoyl Stabilized Li/Cl Carbenoid","Organometallics","2011","30","16","4228","","10.1021/om200584h","","","0.71073","MoKα","","0.0387","0.0363","","","0.0897","0.0927","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063577","7.0695","0.0007","11.1207","0.0011","15.5863","0.0015","90","","90","","90","","1225.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 B2 Cl2 Zr -","- C10 H12 B2 Cl2 Zr -","- C40 H48 B8 Cl8 Zr4 -","4","1","","Yuan, Yuanyuan; Wang, Xiufang; Li, Yuxue; Fan, Liyan; Xu, Xin; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Rapid Entry to Functionalized Boratabenzene Complexes through Metal-Induced Hydroboration at the Anionic 1-H-Boratabenzene Ligand","Organometallics","2011","30","16","4330","","10.1021/om200396k","","","0.71073","MoKα","","0.0339","0.0316","","","0.0752","0.0765","","","","","","0.903","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063580","6.1133","0.0004","11.7522","0.0007","20.8528","0.0012","90","","90","","90","","1498.16","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Mn N O4 -","- C15 H16 Mn N O4 -","- C60 H64 Mn4 N4 O16 -","4","1","","Kelbysheva, Elena S.; Ezernitskaya, Mariam G.; Strelkova, Tatyana V.; Borisov, Yurii A.; Smol’yakov, Aleksandr F.; Starikova, Zoya A.; Dolgushin, Fedor M.; Rodionov, Aleksey N.; Lokshin, Boris V.; Loim, Nikolay M.","Photochemistry of π- and n-Donor Bifunctional Monosubstituted Derivatives of Cyclopentadienylmanganese Tricarbonyl Complexes Containing an Allyl Group and Photo- and Thermoisomerization of the Corresponding Dicarbonyl Chelates","Organometallics","2011","30","16","4342","","10.1021/om200407c","","","0.71073","MoKα","","0.0296","0.0258","","","0.06","0.0614","","","","","","1.039","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063581","6.1957","0.0001","11.4843","0.0002","19.6168","0.0003","90","","90","","90","","1395.8","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Mn N O4 -","- C14 H14 Mn N O4 -","- C56 H56 Mn4 N4 O16 -","4","1","","Kelbysheva, Elena S.; Ezernitskaya, Mariam G.; Strelkova, Tatyana V.; Borisov, Yurii A.; Smol’yakov, Aleksandr F.; Starikova, Zoya A.; Dolgushin, Fedor M.; Rodionov, Aleksey N.; Lokshin, Boris V.; Loim, Nikolay M.","Photochemistry of π- and n-Donor Bifunctional Monosubstituted Derivatives of Cyclopentadienylmanganese Tricarbonyl Complexes Containing an Allyl Group and Photo- and Thermoisomerization of the Corresponding Dicarbonyl Chelates","Organometallics","2011","30","16","4342","","10.1021/om200407c","","","0.71073","MoKα","","0.0179","0.0175","","","0.047","0.0472","","","","","","1.002","","","","has coordinates","178530","2020-10-21","18:00:00",""
"4063591","5.831","0.002","13.989","0.002","29.834","0.002","90","","90","","90","","2433.6","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H21 Li N2 -","- C11 H21 Li N2 -","- C88 H168 Li8 N16 -","8","2","","Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar","Revealing Coordination Patterns in C5-Cyclic Lithium Organics","Organometallics","2011","30","16","4379","","10.1021/om200471e","","","0.71073","MoKα","","0.0304","0.0281","","","0.0771","0.0785","","","","","","1.054","","","","has coordinates,has disorder","178530","2020-10-21","18:00:00",""
"4063599","12.0864","0.0002","13.2175","0.0002","33.0962","0.0005","90","","90","","90","","5287.18","0.14","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50.5 H54 Br4 Fe2 N4 O0.5 P2 -","- C50.5 H54 Br4 Fe2 N4 O0.5 P2 -","- C202 H216 Br16 Fe8 N16 O2 P8 -","4","1","","Sues, Peter E.; Lough, Alan J.; Morris, Robert H.","Stereoelectronic Factors in Iron Catalysis: Synthesis and Characterization of Aryl-Substituted Iron(II) Carbonyl P‒N‒N‒P Complexes and Their Use in the Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2011","30","16","4418","","10.1021/om2005172","","","0.71073","MoKα","","0.1119","0.0582","","","0.1344","0.1554","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063610","9.0445","0.0006","12.7406","0.0009","17.8947","0.0012","90","","90","","90","","2062","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 I2 Ir N2 -","- C14 H19 I2 Ir N2 -","- C56 H76 I8 Ir4 N8 -","4","1","","da Costa, André P.; Lopes, Rita; Cardoso, João M. S.; Mata, Jose A.; Peris, Eduardo; Royo, Beatriz","Enantiomerically Pure Cyclopentadienyl- and Indenyl-Functionalized N-Heterocyclic Carbene Complexes of Iridium and Rhodium","Organometallics","2011","30","16","4437","","10.1021/om200523h","","x-ray","0.71073","MoKα","","0.0328","0.0301","","","0.0912","0.0928","","","","","","1.113","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063626","10.58374","0.00015","16.23445","0.00017","24.3432","0.0002","90","","90","","90","","4182.68","0.08","123","","123","","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H47 F6 Fe O P3 -","- C47 H47 F6 Fe O P3 -","- C188 H188 F24 Fe4 O4 P12 -","4","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Umegaki, Naohisa; Zabel, Manfred","Chiral-at-Metal Compounds [CpFe(Prophos)L] (L = Cl, I, CN), [CpFe(Prophos)CO]X (X = I, PF6), and [IndFe(Prophos)CO]I","Organometallics","2011","30","3","414","","10.1021/om100276t","","x-ray","1.54184","CuKα","","0.0408","0.0324","","","0.0734","0.076","","","","","","0.962","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063630","11.298","0.002","14.455","0.003","15.13","0.003","90","","90","","90","","2470.9","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 Cr N -","- C26 H30 Cl2 Cr N -","- C104 H120 Cl8 Cr4 N4 -","4","1","","Zhang, Lei; Gao, Wei; Tao, Xin; Wu, Qiaolin; Mu, Ying; Ye, Ling","New Chromium(III) Complexes with Imine−Cyclopentadienyl Ligands: Synthesis, Characterization, and Catalytic Properties for Ethylene Polymerization","Organometallics","2011","30","3","433","","10.1021/om1005935","","","0.71073","MoKα","","0.0546","0.0419","","","0.0959","0.1013","","","","","","1.061","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063639","14.4223","0.0001","18.4966","0.0002","19.356","0.0002","90","","90","","90","","5163.47","0.09","173","2","173","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H54 B F15 N2 O Sn -","- C52 H54 B F15 N2 O Sn -","- C208 H216 B4 F60 N8 O4 Sn4 -","4","1","","Taylor, Morgan J.; Saunders, Amy J.; Coles, Martyn P.; Fulton, J. Robin","Low-Coordinate Tin and Lead Cations","Organometallics","2011","30","6","1334","","10.1021/om100712a","","x-ray","0.7107","MoKα","","0.0344","0.0291","","","0.0619","0.0641","","","","","","1.009","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063671","11.1896","0.0007","13.6623","0.0008","29.1518","0.0018","90","","90","","90","","4456.6","0.5","250","2","250","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55 H52 B Cl Fe N P Ru -","- C55 H52 B Cl Fe N P Ru -","- C220 H208 B4 Cl4 Fe4 N4 P4 Ru4 -","4","1","","Torres, Javier; Sepúlveda, Francisco; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Zirakzadeh, Afrooz; Weissensteiner, Walter; Mucientes, Antonio E.; Peña, M. Angeles de la","Ruthenium Arene Derivatives of Chiral Ferrocene-Based P,N or P,O Ligands. Transformation of Chloro‒Alcohol into Hydrido‒Carbonyl Complexes","Organometallics","2011","30","13","3490","","10.1021/om1008132","","","0.71073","MoKα","","0.1306","0.06","","","0.1235","0.1653","","","","","","0.971","","","","has coordinates,has disorder","178531","2020-10-21","18:00:00",""
"4063692","7.395","0.003","16.525","0.006","20.417","0.007","90","","90","","90","","2495","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 Au P -","- C28 H34 Au P -","- C112 H136 Au4 P4 -","4","1","","Zuzek, Ashley A.; Reynolds, Samantha C.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Synthesis and Structure of Gold and Platinum Menthyl Complexes","Organometallics","2011","30","7","1812","","10.1021/om1008555","","","0.71073","MoKα","","0.0218","0.0202","","","0.0409","0.0415","","","","","","1.002","","","","has coordinates","178531","2020-10-21","18:00:00",""
"4063813","8.2749","0.0001","14.7099","0.0001","31.2056","0.0002","90","","90","","90","","3798.44","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 Cl2 N4 O4 Pt -","- C38 H48 Cl2 N4 O4 Pt -","- C152 H192 Cl8 N16 O16 Pt4 -","4","1","","Bokach, Nadezhda A.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu.","Highly Stereoselective 1,3-Dipolar Cycloaddition of Nitrones to (Nitrile)2PtIISpecies Furnishing Diastereomerically Pure 2,3-Dihydro-1,2,4-oxadiazole Ligands","Organometallics","2011","30","3","595","","10.1021/om100957b","","","0.71073","MoKα","","0.034","0.0279","","","0.0495","0.0512","","","","","","1.057","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063814","7.3948","0.0001","16.1571","0.0003","29.4684","0.0006","90","","90","","90","","3520.84","0.11","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cl2 N4 O4 Pt -","- C32 H52 Cl2 N4 O4 Pt -","- C128 H208 Cl8 N16 O16 Pt4 -","4","1","","Bokach, Nadezhda A.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu.","Highly Stereoselective 1,3-Dipolar Cycloaddition of Nitrones to (Nitrile)2PtIISpecies Furnishing Diastereomerically Pure 2,3-Dihydro-1,2,4-oxadiazole Ligands","Organometallics","2011","30","3","595","","10.1021/om100957b","","","0.71069","MoKα","","0.0411","0.0287","","","0.0453","0.0481","","","","","","1.019","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063816","10.9605","0.0002","11.9222","0.0002","29.9856","0.0006","90","","90","","90","","3918.32","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H60 Cl2 N6 O5 Pt -","- C35 H60 Cl2 N6 O5 Pt -","- C140 H240 Cl8 N24 O20 Pt4 -","4","1","","Bokach, Nadezhda A.; Balova, Irina A.; Haukka, Matti; Kukushkin, Vadim Yu.","Highly Stereoselective 1,3-Dipolar Cycloaddition of Nitrones to (Nitrile)2PtIISpecies Furnishing Diastereomerically Pure 2,3-Dihydro-1,2,4-oxadiazole Ligands","Organometallics","2011","30","3","595","","10.1021/om100957b","","","0.71073","MoKα","","0.0375","0.0277","","","0.0431","0.0454","","","","","","1.025","","","","has coordinates","178533","2020-10-21","18:00:00",""
"4063901","6.9012","0.001","13.6533","0.0015","18.753","0.003","90","","90","","90","","1767","0.4","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","dicarbonyl(cyclopentadienyl)(dimethyl(phenyl)stibane)iron(II) tetrafluoroborate","","- C15 H16 B F4 Fe O2 Sb -","- C15 H16 B F4 Fe O2 Sb -","- C60 H64 B4 F16 Fe4 O8 Sb4 -","4","1","","Benjamin, Sophie L.; Karagiannidis, Louise; Levason, William; Reid, Gillian; Rogers, Michael C.","Hybrid Dibismuthines and Distibines: Preparation and Properties of Antimony and Bismuth Oxygen, Sulfur, and Nitrogen Donor Ligands","Organometallics","2011","30","4","895","","10.1021/om1010148","","","0.71073","MoKα","","0.034","0.0304","","","0.0707","0.0735","","","","","","1.004","","","","has coordinates","178534","2020-10-21","18:00:00",""
"4064005","12.6734","0.0005","12.7251","0.0005","15.6035","0.0007","90","","90","","90","","2516.38","0.18","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Cl N P Pd -","- C26 H27 Cl N P Pd -","- C104 H108 Cl4 N4 P4 Pd4 -","4","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0355","0.0326","","","0.071","0.0722","","","","","","1.066","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064006","12.4087","0.0005","15.0921","0.0006","20.0822","0.0008","90","","90","","90","","3760.9","0.3","223","2","223","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 Cl2 N2 O P Pd Pt -","- C39 H47 Cl2 N2 O P Pd Pt -","- C156 H188 Cl8 N8 O4 P4 Pd4 Pt4 -","4","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0411","0.0346","","","0.0678","0.0699","","","","","","0.932","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064010","12.3661","0.0017","16.004","0.003","18.848","0.003","90","","90","","90","","3730.2","1.1","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H43 Cl4 N2 P Pd Pt -","- C37 H43 Cl4 N2 P Pd Pt -","- C148 H172 Cl16 N8 P4 Pd4 Pt4 -","4","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0476","0.0413","","","0.1005","0.1048","","","","","","1.033","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064011","10.4219","0.0003","16.0129","0.0005","42.5362","0.0015","90","","90","","90","","7098.6","0.4","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H43 Cl2 N2 O P Pd Pt -","- C36.5 H43 Cl2 N2 O P Pd Pt -","- C292 H344 Cl16 N16 O8 P8 Pd8 Pt8 -","8","2","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.056","0.0477","","","0.1011","0.1039","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064013","12.3412","0.0004","15.0175","0.0005","19.9738","0.0006","90","","90","","90","","3701.8","0.2","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 Cl2 N2 O P Pd2 -","- C39 H47 Cl2 N2 O P Pd2 -","- C156 H188 Cl8 N8 O4 P4 Pd8 -","4","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0372","0.0317","","","0.0668","0.0691","","","","","","1.063","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064016","12.4755","0.0005","16.164","0.0006","19.06","0.0007","90","","90","","90","","3843.5","0.3","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 Cl2 N2 O P Pd2 -","- C39 H47 Cl2 N2 O P Pd2 -","- C156 H188 Cl8 N8 O4 P4 Pd8 -","4","1","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0413","0.0367","","","0.1066","0.1227","","","","","","1.128","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064017","10.4539","0.0017","16.178","0.003","42.663","0.008","90","","90","","90","","7215","2","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H43 Cl2 N2 O P Pd2 -","- C36.5 H43 Cl2 N2 O P Pd2 -","- C292 H344 Cl16 N16 O8 P8 Pd16 -","8","2","","Chen, Shuli; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of P-Stereogenic Homo- and Heterobimetallic Complexes via Selective Monoinsertion of Dialkynylphosphine into the Pd−C Bond of a Palladacycle","Organometallics","2011","30","6","1530","","10.1021/om101078p","","","0.71073","MoKα","","0.0582","0.0497","","","0.0938","0.0965","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064026","9.485","0.002","20.908","0.005","23.495","0.006","90","","90","","90","","4659.3","1.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H42 N8 P2 Ru -","- C53 H42 N8 P2 Ru -","- C212 H168 N32 P8 Ru4 -","4","1","","Bruce, Michael I.; Morris, Jonathan C.; Nicholson, Brian K.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.","A Percyanovinylidene−Ruthenium Complex, Ru{═C═C5(CN)3[═C(CN)2]2}(dppe)Cp*","Organometallics","2011","30","3","653","","10.1021/om1010885","","","0.71073","MoKα","","0.0701","0.0445","","","0.0938","0.1048","","","","","","1.04","","","","has coordinates","178502","2020-10-21","18:00:00",""
"4064036","10.759","0.003","13.574","0.004","19.806","0.005","90","","90","","90","","2892.5","1.4","293.1","","293.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl5 Ru2 S Sb -","- C22 H34 Cl5 Ru2 S Sb -","- C88 H136 Cl20 Ru8 S4 Sb4 -","4","1","","Oya, Kazumasa; Seino, Hidetake; Akiizumi, Midori; Mizobe, Yasushi","Preparation of Incomplete Cubane-Type Ru2M(μ3-S)(μ2-Cl)3Clusters (M = Sb, Bi) and Isolation of the Ru2Sb Cluster Having a Novel μ3-SO Ligand. Functions in Oxygen Atom Transfer and Catalytic Oxidation of PPh3to O═PPh3by Molecular O2","Organometallics","2011","30","11","2939","","10.1021/om101095a","","","0.7107","MoKα","","","0.046","","","","0.1107","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064135","11.6528","0.0004","15.3307","0.0005","16.6441","0.0005","90","","90","","90","","2973.39","0.17","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 F3 Ir N2 O3 S -","- C29 H34 F3 Ir N2 O3 S -","- C116 H136 F12 Ir4 N8 O12 S4 -","4","1","","Barloy, Laurent; Issenhuth, Jean-Thomas; Weaver, Marisa G.; Pannetier, Nicolas; Sirlin, Claude; Pfeffer, Michel","Reaction of Chiral Secondary Amines with [(η5-C5Me5)MCl2]2(M = Rh(III), Ir(III)): Cyclometalation with or without Dehydrogenation","Organometallics","2011","30","5","1168","","10.1021/om101148v","","","0.71073","MoKα","","0.0256","0.022","","","0.0528","0.0544","","","","","","1.049","","","","has coordinates","178535","2020-10-21","18:00:00",""
"4064173","11.6533","0.0002","16.8171","0.0003","20.555","0.0004","90","","90","","90","","4028.26","0.13","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cp*Ti{MeC(NiPr)2}{N(NPh2)C(NAr)O}","","- C43 H59 N5 O Ti -","- C43 H59 N5 O Ti -","- C172 H236 N20 O4 Ti4 -","4","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.0574","0.0434","","0.0592","0.0432","0.0408","","","","","","1.0959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064174","12.1396","0.0001","15.7202","0.0002","21.328","0.0002","90","","90","","90","","4070.17","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cp*Ti(MeDIPA){N(NPh2)C(NAr)S}","","- C43 H59 N5 S Ti -","- C43 H59 N5 S Ti -","- C172 H236 N20 S4 Ti4 -","4","1","","Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip","Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions","Organometallics","2011","30","5","1182","","10.1021/om101167p","","","0.71073","MoKα","","0.0607","0.0489","","0.063","0.0511","0.0494","","","","","","1.0993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064211","12.3845","0.0013","17.0235","0.0018","21.782","0.002","90","","90","","90","","4592.2","0.8","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H66 Cl4 N4 Ni O2 -","- C44 H66 Cl4 N4 Ni O2 -","- C176 H264 Cl16 N16 Ni4 O8 -","4","1","","Kong, Yong; Cheng, Man; Ren, Hongping; Xu, Shansheng; Song, Haibin; Yang, Min; Liu, Binyuan; Wang, Baiquan","Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Nickel Complexes","Organometallics","2011","30","6","1677","","10.1021/om1011825","","","0.7107","MoKα","","0.046","0.0349","","","0.0581","0.0623","","","","","","0.93","","","","has coordinates,has disorder","178536","2020-10-21","18:00:00",""
"4064226","14.6445","0.0017","7.4441","0.0003","24.675","0.008","90","","90","","90","","2689.9","0.9","200","2","200","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 Fe2 O Si -","- C31 H34 Fe2 O Si -","- C124 H136 Fe8 O4 Si4 -","4","1","","Nievas, Ángel; González, Jorge J.; Hernández, Elisa; Delgado, Esther; Martín, Avelino; Casado, Carmen M.; Alonso, Beatriz","Hydrosilylation of Ferrocenylalkyne−Dicobalthexacarbonyl Complexes. Model Reactions for the Synthesis of Organometallic Dendrimers","Organometallics","2011","30","7","1920","","10.1021/om1011903","","x-ray","0.71073","MoKα","","0.1523","0.0748","","","0.1202","0.1444","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4064304","9.225","0.003","9.724","0.004","11.542","0.003","90","","90","","90","","1035.4","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","","Siwatch, Rahul Kumar; Kundu, Subrata; Kumar, Dinesh; Nagendran, Selvarajan","Bulky Aminotroponiminate-Stabilized Germylene Monochloride and Its Alkyne Derivatives","Organometallics","2011","30","7","1998","","10.1021/om200035z","","","0.71073","MoKα","","0.0662","0.0615","","","0.1659","0.1719","","","","","","0.978","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4064307","9.5032","0.0013","9.9859","0.0014","16.714","0.002","90","","90","","90","","1586.1","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Cl Ge N2 -","- C15 H23 Cl Ge N2 -","- C60 H92 Cl4 Ge4 N8 -","4","1","","Siwatch, Rahul Kumar; Kundu, Subrata; Kumar, Dinesh; Nagendran, Selvarajan","Bulky Aminotroponiminate-Stabilized Germylene Monochloride and Its Alkyne Derivatives","Organometallics","2011","30","7","1998","","10.1021/om200035z","","","0.71073","MoKα","","0.0379","0.0341","","","0.0797","0.0808","","","","","","1.082","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064394","14.2773","0.0002","17.1955","0.0002","18.9925","0.0003","90","","90","","90","","4662.76","0.11","133","2","133","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H16 Cl12 F6 N6 P Re -","- C40 H16 Cl12 F6 N6 P Re -","- C160 H64 Cl48 F24 N24 P4 Re4 -","4","1","","Ko, Chi-Chiu; Siu, Jacky Wai-Kit; Cheung, Apple Wai-Yi; Yiu, Shek-Man","Synthesis, Characterization, and Photophysical and Emission Solvatochromic Study of Rhenium(I) Tetra(isocyano) Diimine Complexes","Organometallics","2011","30","10","2701","","10.1021/om200074t","","","1.5418","CuKα","","0.0378","0.0355","","","0.0904","0.0922","","","","","","0.994","","","","has coordinates","178537","2020-10-21","18:00:00",""
"4064424","7.833","0.0002","15.3408","0.0004","18.8882","0.0004","90","","90","","90","","2269.69","0.1","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Cl N O5 Ru S4 -","- C19 H26 Cl N O5 Ru S4 -","- C76 H104 Cl4 N4 O20 Ru4 S16 -","4","1","","Chan, Siu-Chung; Pat, Pak-Kei; Lau, Tai-Chu; Wong, Chun-Yuen","Facile Direct Insertion of Nitrosonium Ion (NO+) into a Ruthenium−Aryl Bond","Organometallics","2011","30","6","1311","","10.1021/om200095v","","","1.54178","CuKα","","0.0246","0.0245","","","0.0644","0.0645","","","","","","1.054","","","","has coordinates,has disorder","178538","2020-10-21","18:00:00",""
"4064502","6.4431","0.0007","12.1236","0.0013","23.887","0.003","90","","90","","90","","1865.9","0.4","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl Ge N2 O2 -","- C20 H19 Cl Ge N2 O2 -","- C80 H76 Cl4 Ge4 N8 O8 -","4","1","","Arii, Hidekazu; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Lewis Base Complexes of an Enantiomeric Germanium(II) Cation Bearing a Bis(oxazoline) Ligand","Organometallics","2011","30","17","4471","","10.1021/om200149a","","","0.71073","MoKα","","0.0299","0.0271","","","0.0617","0.0624","","","","","","1.03","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064505","10.972","0.003","20.684","0.006","37.963","0.01","90","","90","","90","","8616","4","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26.33 H27.33 F6 Ge N3 O2.67 Sb -","- C26.3333 H27.3333 F6 Ge N3 O2.66667 Sb -","- C316 H328 F72 Ge12 N36 O32 Sb12 -","12","3","","Arii, Hidekazu; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Lewis Base Complexes of an Enantiomeric Germanium(II) Cation Bearing a Bis(oxazoline) Ligand","Organometallics","2011","30","17","4471","","10.1021/om200149a","","","0.71073","MoKα","","0.0581","0.0412","","","0.0823","0.0887","","","","","","1.011","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064554","8.3125","0.0017","9.6493","0.0019","16.127","0.003","90","","90","","90","","1293.5","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Bi Br2 -","- C10 H15 Bi Br2 -","- C40 H60 Bi4 Br8 -","4","1","","Monakhov, Kirill Yu.; Zessin, Thomas; Linti, Gerald","Molecular Assemblies Based on Cp*BiX2Units (X = Cl, Br, I): An Experimental and Computational Study","Organometallics","2011","30","10","2844","","10.1021/om200169d","","x-ray","0.71073","MoKα","","0.0359","0.033","","","0.0768","0.0777","","","","","","1.024","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064556","8.4364","0.0017","9.86","0.002","16.956","0.003","90","","90","","90","","1410.4","0.5","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Bi I2 -","- C10 H15 Bi I2 -","- C40 H60 Bi4 I8 -","4","1","","Monakhov, Kirill Yu.; Zessin, Thomas; Linti, Gerald","Molecular Assemblies Based on Cp*BiX2Units (X = Cl, Br, I): An Experimental and Computational Study","Organometallics","2011","30","10","2844","","10.1021/om200169d","","x-ray","0.71073","MoKα","","0.0707","0.0382","","","0.0738","0.079","","","","","","0.802","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064561","10.5265","0.0003","12.8693","0.0003","16.8844","0.0005","90","","90","","90","","2287.31","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl2 N2 O3 Ti -","- C21 H30 Cl2 N2 O3 Ti -","- C84 H120 Cl8 N8 O12 Ti4 -","4","1","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0481","0.0364","","","0.081","0.0859","","","","","","1.091","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064562","12.3862","0.0001","12.823","0.0001","16.1505","0.0001","90","","90","","90","","2565.16","0.03","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 Cl3 N2 O2 V -","- C24 H29 Cl3 N2 O2 V -","- C96 H116 Cl12 N8 O8 V4 -","4","1","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0295","0.0273","","","0.0667","0.0684","","","","","","1.033","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064563","15.81512","0.00008","17.09278","0.00002","17.86083","0.00011","90","","90","","90","","4828.22","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 Cl2 Cr N3 O2 -","- C23 H28 Cl2 Cr N3 O2 -","- C184 H224 Cl16 Cr8 N24 O16 -","8","2","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0429","0.0289","","","0.0604","0.0652","","","","","","1.036","","","","has coordinates","178539","2020-10-21","18:00:00",""
"4064566","11.1179","0.0001","18.6083","0.0001","24.8042","0.0002","90","","90","","90","","5131.62","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H64 Cl4 N4 Nb2 O6 -","- C47 H64 Cl4 N4 Nb2 O6 -","- C188 H256 Cl16 N16 Nb8 O24 -","4","1","","Chuchuryukin, Alexey V.; Huang, Rubin; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard","NCN-Pincer Metal Complexes (Ti, Cr, V, Zr, Hf, and Nb) of the Phebox Ligand (S,S)-2,6-Bis(4′-isopropyl-2′-oxazolinyl)phenyl","Organometallics","2011","30","10","2819","","10.1021/om200170b","","","0.71073","MoKα","","0.0371","0.0289","","","0.0648","0.0679","","","","","","1.032","","","","has coordinates,has disorder","178539","2020-10-21","18:00:00",""
"4064601","13.071","0.005","15.417","0.005","31.936","0.005","90","0.005","90","0.005","90","0.005","6436","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","NiCl(PhCH2C=NArDipp2)(CNArDipp2)","","","- C73 H91 Cl N2 Ni O -","- C73 H91 Cl N2 Ni O -","- C292 H364 Cl4 N8 Ni4 O4 -","4","1","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","0.71073","MoKα","","0.0568","0.0521","","","0.143","0.1472","","","","","","1.037","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064602","16.7638","0.0009","18.5224","0.001","19.1714","0.0011","90","","90","","90","","5952.8","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","'NiCl((p-MeC6H4)C=NArDipp2)(CNArDipp2)","","","- C69 H81 Cl N2 Ni -","- C69 H81 Cl N2 Ni -","- C276 H324 Cl4 N8 Ni4 -","4","1","","Emerich, Brian M.; Moore, Curtis E.; Fox, Brian J.; Rheingold, Arnold L.; Figueroa, Joshua S.","Protecting-Group-Free Access to a Three-Coordinate Nickel(0) Tris-isocyanide","Organometallics","2011","30","9","2598","","10.1021/om200209w","","","0.71073","MoKα","","0.0627","0.0476","","","0.1142","0.1272","","","","","","1.027","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064616","16.314","0.0004","16.3154","0.0004","17.0564","0.0005","90","","90","","90","","4539.9","0.2","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 B F4 Ir N2 O2 P2 S2 -","- C46 H52 B F4 Ir N2 O2 P2 S2 -","- C184 H208 B4 F16 Ir4 N8 O8 P8 S8 -","4","1","","Achard, Thierry; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C.; Riera, Antoni; Verdaguer, Xavier","N-Benzyl-N-phosphino-tert-butylsulfinamide and Its Coordination Modes with Ir(I), Cu(I), Pd(II), and Pt(II): P,S or P,O?","Organometallics","2011","30","11","3119","","10.1021/om200217j","","","0.71073","MoKα","","0.0493","0.0402","","","0.0832","0.0861","","","","","","1.001","","","","has coordinates,has disorder","178540","2020-10-21","18:00:00",""
"4064617","11.0853","0.0006","17.8036","0.0011","26.0621","0.0013","90","","90","","90","","5143.6","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C48 H53 Cl3 Cu F3 N2 O5 P2 S3 -","- C48 H53 Cl3 Cu F3 N2 O5 P2 S3 -","- C192 H212 Cl12 Cu4 F12 N8 O20 P8 S12 -","4","1","","Achard, Thierry; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C.; Riera, Antoni; Verdaguer, Xavier","N-Benzyl-N-phosphino-tert-butylsulfinamide and Its Coordination Modes with Ir(I), Cu(I), Pd(II), and Pt(II): P,S or P,O?","Organometallics","2011","30","11","3119","","10.1021/om200217j","","","0.71073","MoKα","","0.0629","0.0437","","","0.1002","0.1095","","","","","","0.995","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064618","8.7583","0.0009","19.3409","0.0019","19.5065","0.0019","90","","90","","90","","3304.3","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl8 N O P Pt S -","- C25 H28 Cl8 N O P Pt S -","- C100 H112 Cl32 N4 O4 P4 Pt4 S4 -","4","1","","Achard, Thierry; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C.; Riera, Antoni; Verdaguer, Xavier","N-Benzyl-N-phosphino-tert-butylsulfinamide and Its Coordination Modes with Ir(I), Cu(I), Pd(II), and Pt(II): P,S or P,O?","Organometallics","2011","30","11","3119","","10.1021/om200217j","","","0.71073","MoKα","","0.0276","0.0254","","","0.0561","0.0582","","","","","","1.026","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064619","11.8237","0.0017","14.436","0.002","14.808","0.002","90","","90","","90","","2527.5","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl N O P Pd S -","- C26 H31 Cl N O P Pd S -","- C104 H124 Cl4 N4 O4 P4 Pd4 S4 -","4","1","","Achard, Thierry; Benet-Buchholz, Jordi; Escudero-Adán, Eduardo C.; Riera, Antoni; Verdaguer, Xavier","N-Benzyl-N-phosphino-tert-butylsulfinamide and Its Coordination Modes with Ir(I), Cu(I), Pd(II), and Pt(II): P,S or P,O?","Organometallics","2011","30","11","3119","","10.1021/om200217j","","","0.71073","MoKα","","0.0368","0.0351","","","0.0906","0.092","","","","","","1.079","","","","has coordinates","178540","2020-10-21","18:00:00",""
"4064710","10.525","0.003","12.047","0.003","22.521","0.006","90","","90","","90","","2855.5","1.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 Cl2 O2 Os P2 S -","- C26 H40 Cl2 O2 Os P2 S -","- C104 H160 Cl8 O8 Os4 P8 S4 -","4","1","","Esteruelas, Miguel A.; Honczek, Nicole; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","Direct Access to POP-Type Osmium(II) and Osmium(IV) Complexes: Osmium a Promising Alternative to Ruthenium for the Synthesis of Imines from Alcohols and Amines","Organometallics","2011","30","9","2468","","10.1021/om200290u","","","0.71073","MoKα","","0.0413","0.0334","","","0.057","0.0586","","","","","","0.95","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064737","13.7901","0.0005","19.9695","0.001","32.4045","0.0014","90","","90","","90","","8923.6","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H145 B33 Ir N9 O2 Sn3 -","- C50 H145 B33 Ir N9 O2 Sn3 -","- C200 H580 B132 Ir4 N36 O8 Sn12 -","4","1","","Fleischhauer, Sebastian; Eichele, Klaus; Schellenberg, Inga; Pöttgen, Rainer; Wesemann, Lars","Cobalt, Rhodium, Iridium, and Ruthenium Carbonyl Complexes with Stanna-closo-dodecaborate:103Rh NMR,119Sn Mössbauer Spectroscopy, and Solid-State119Sn NMR","Organometallics","2011","30","11","3200","","10.1021/om200301v","","","0.71073","MoKα","","0.0568","0.0488","","","0.1086","0.1123","","","","","","1.001","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064742","9.1073","0.0008","11.3267","0.001","13.9067","0.0012","90","","90","","90","","1434.6","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Fe N O -","- C19 H15 Fe N O -","- C76 H60 Fe4 N4 O4 -","4","1","","Ortega-Alfaro, M. Carmen; Rosas-Sánchez, Alfredo; Zarate-Picazo, Bertha E.; López-Cortés, José G.; Cortés-Guzmán, Fernando; Toscano, Ruben A.","Iron(0) Promotes Aza Cyclization of an Elusive Ferrocenylketene","Organometallics","2011","30","18","4830","","10.1021/om200302z","","","0.71073","MoKα","","0.0393","0.0357","","","0.0794","0.0815","","","","","","1.073","","","","has coordinates","178541","2020-10-21","18:00:00",""
"4064786","6.8148","0.0014","11.667","0.002","20.822","0.004","90","","90","","90","","1655.5","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 -","- C20 H19 N3 -","- C80 H76 N12 -","4","1","","Xiao, Tianpengfei; Zhang, Shu; Kehr, Gerald; Hao, Xiang; Erker, Gerhard; Sun, Wen-Hua","Bidentate Iron(II) Dichloride Complexes Bearing Substituted 8-(Benzimidazol-2-yl)quinolines: Synthesis, Characterization, and Ethylene Polymerization Behavior","Organometallics","2011","30","13","3658","","10.1021/om200338b","","","0.71073","MoKα","","","0.056","","","0.1376","0.14","","","","","","1.131","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064794","10.56293","0.00004","17.51545","0.00007","23.79538","0.0001","90","","90","","90","","4402.49","0.03","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H39 B F6 N2 P2 Rh Sb -","- C46 H39 B F6 N2 P2 Rh Sb -","- C184 H156 B4 F24 N8 P8 Rh4 Sb4 -","4","1","","Conifer, Christopher M.; Law, David J.; Sunley, Glenn J.; White, Andrew J. P.; Britovsek, George J. P.","Lewis Acids and Lewis Acid-Functionalized Ligands in Rhodium-Catalyzed Methyl Acetate Carbonylation","Organometallics","2011","30","15","4060","","10.1021/om200341t","","","1.54184","CuKα","","0.0278","0.0273","","","0.072","0.0724","","","","","","1.025","","","","has coordinates,has disorder","178541","2020-10-21","18:00:00",""
"4064809","11.909","0.002","12.573","0.003","18.66","0.004","90","","90","","90","","2794","1","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H31 Cl N3 P Pd -","- C31 H31 Cl N3 P Pd -","- C124 H124 Cl4 N12 P4 Pd4 -","4","1","","Yang, Ming-Jun; Liu, Yan-Jing; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes with Aryl-Based Aminophosphine‒Imidazoline Ligands: Synthesis via Aryl C‒H Activation and Asymmetric Addition of Diarylphosphines to Enones","Organometallics","2011","30","14","3793","","10.1021/om200350h","","","0.71073","MoKα","","0.0339","0.0315","","","0.0786","0.0798","","","","","","1.087","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064810","11.8793","0.0002","12.50471","0.00019","20.1538","0.0004","90","","90","","90","","2993.79","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 Cl N3 P Pd -","- C34 H29 Cl N3 P Pd -","- C136 H116 Cl4 N12 P4 Pd4 -","4","1","","Yang, Ming-Jun; Liu, Yan-Jing; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes with Aryl-Based Aminophosphine‒Imidazoline Ligands: Synthesis via Aryl C‒H Activation and Asymmetric Addition of Diarylphosphines to Enones","Organometallics","2011","30","14","3793","","10.1021/om200350h","","","0.71073","MoKα","","0.0336","0.0269","","","0.0625","0.066","","","","","","1.036","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064811","10.3071","0.0015","13.747","0.002","20.087","0.003","90","","90","","90","","2846.2","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H31 Cl N3 Ni P -","- C31 H31 Cl N3 Ni P -","- C124 H124 Cl4 N12 Ni4 P4 -","4","1","","Yang, Ming-Jun; Liu, Yan-Jing; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes with Aryl-Based Aminophosphine‒Imidazoline Ligands: Synthesis via Aryl C‒H Activation and Asymmetric Addition of Diarylphosphines to Enones","Organometallics","2011","30","14","3793","","10.1021/om200350h","","","0.71073","MoKα","","0.0547","0.0345","","","0.0738","0.0826","","","","","","1.017","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064812","10.15541","0.00009","15.93322","0.00013","33.9567","0.0003","90","","90","","90","","5494.48","0.08","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H51 Cl7 N4 Pd -","- C50 H50 Cl7 N4 Pd -","- C200 H200 Cl28 N16 Pd4 -","4","1","","Yang, Ming-Jun; Liu, Yan-Jing; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes with Aryl-Based Aminophosphine‒Imidazoline Ligands: Synthesis via Aryl C‒H Activation and Asymmetric Addition of Diarylphosphines to Enones","Organometallics","2011","30","14","3793","","10.1021/om200350h","","","1.54184","CuKα","","0.0725","0.069","","","0.1833","0.1888","","","","","","1.096","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064819","11.14968","0.00007","13.38184","0.0001","23.65302","0.00015","90","","90","","90","","3529.11","0.04","140","1","140","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 Cl Co N O2 Pt S -","- C41 H39 Cl Co N O2 Pt S -","- C164 H156 Cl4 Co4 N4 O8 Pt4 S4 -","4","1","","Günay, M. Emin; Hughes, David L.; Richards, Christopher J.","Diastereoselective Synthesis of Planar Chiral Cobalt Metallocene Based Oxazoline Platinacycles","Organometallics","2011","30","14","3901","","10.1021/om200353n","","","0.71073","Mo-Kα","","0.0208","0.0175","","","0.0314","0.0317","","","","","","0.958","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064874","10.8117","0.001","14.4507","0.0014","18.4194","0.0018","90","","90","","90","","2877.8","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 Cl N2 O2 Si -","- C29 H43 Cl N2 O2 Si -","- C116 H172 Cl4 N8 O8 Si4 -","4","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar","Reactions of StableN-Heterocyclic Silylenes with Ketones and 3,5-Di-tert-butyl-o-benzoquinone","Organometallics","2011","30","14","3853","","10.1021/om200388a","","","0.71073","MoKα","","0.0427","0.0351","","","0.0729","0.0764","","","","","","1.038","","","","has coordinates,has disorder","178542","2020-10-21","18:00:00",""
"4064879","10.772","0.005","16.338","0.005","23.351","0.005","90","","90","","90","","4110","2","173","2","173","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H44 Cl4 Fe I O3 P3 -","- C37 H44 Cl4 Fe I O3 P3 -","- C148 H176 Cl16 Fe4 I4 O12 P12 -","4","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","0.71073","MoKα","","0.1102","0.0816","","","0.1622","0.1814","","","","","","1.082","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064882","9.7854","0.0019","16.627","0.003","21.026","0.005","90","","90","","90","","3421","1.2","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Fe I O3 P3 -","- C37 H40 Fe I O3 P3 -","- C148 H160 Fe4 I4 O12 P12 -","4","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","0.71073","MoKα","","0.125","0.0713","","","0.0931","0.1059","","","","","","1.029","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064883","10.087","0.003","16.516","0.003","21.551","0.006","90","","90","","90","","3590.3","1.6","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 F6 Fe O3 P4 -","- C37 H40 F6 Fe O3 P4 -","- C148 H160 F24 Fe4 O12 P16 -","4","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","0.71073","MoKα","","0.083","0.0539","","","0.1117","0.1241","","","","","","1.054","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064884","9.0022","0.0001","19.6793","0.0003","21.4058","0.0003","90","","90","","90","","3792.19","0.09","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 Fe O3 P3 -","- C34 H37 Fe O3 P3 -","- C136 H148 Fe4 O12 P12 -","4","1","","Brunner, Henri; Ike, Hayato; Muschiol, Manfred; Tsuno, Takashi; Koyama, Kazuhiro; Kurosawa, Takaki; Zabel, Manfred","Diastereomer Ratio of Products as a Mechanistic Probe in Epimerization and Ligand Exchange of Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2011","30","13","3666","","10.1021/om2003893","","x-ray","1.54184","CuKα","","0.0521","0.0444","","","0.1094","0.1127","","","","","","1.017","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064885","14.3634","0.0007","14.8024","0.0008","15.3413","0.0008","90","","90","","90","","3261.8","0.3","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Ru{C5H3(COOH)2-1,2}(Cp*)]","[Ru{C5H3(COOH)2-1,2}(Cp*)]","","- C17.36 H21.44 O4.36 Ru -","- C17.362 H21.448 O4.362 Ru -","- C138.896 H171.584 O34.896 Ru8 -","8","2","","Pokharel, Uttam Raj; Selegue, John P.; Parkin, Sean","Ruthenocene 1,2-Dicarboxylic Acid, Carboxylic Anhydride, and Acid Chloride: A Facile Route to Metallocene-Fused Acenequinones","Organometallics","2011","30","12","3254","","10.1021/om2003915","","","1.54178","CuKα","","0.023","0.0228","","","0.0606","0.0607","","","","","","1.178","","","","has coordinates","178542","2020-10-21","18:00:00",""
"4064912","10.815","0.003","17.56","0.006","23.07","0.007","90","","90","","90","","4381","2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H48 Fe4 O6 -","- C48 H48 Fe4 O6 -","- C192 H192 Fe16 O24 -","4","1","","Boni, Adriano; Funaioli, Tiziana; Marchetti, Fabio; Pampaloni, Guido; Pinzino, Calogero; Zacchini, Stefano","Reversible Reductive Dimerization of Diiron μ-Vinyl Complex via C‒C Coupling: Characterization and Reactivity of the Intermediate Radical Species","Organometallics","2011","30","15","4115","","10.1021/om200421a","","","0.71073","MoKα","","0.0602","0.0503","","","0.1351","0.1414","","","","","","1.084","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064942","11.6462","0.001","14.1879","0.0013","15.041","0.0013","90","","90","","90","","2485.3","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H43 Cl N2 Ni P2 -","- C19 H43 Cl N2 Ni P2 -","- C76 H172 Cl4 N8 Ni4 P8 -","4","1","","Gwynne, Erin A.; Stephan, Douglas W.","Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes","Organometallics","2011","30","15","4128","","10.1021/om200439q","","","0.71073","MoKα","","0.0914","0.0482","","","0.0857","0.0998","","","","","","1.005","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064947","7.615","0.0013","14.252","0.002","30.775","0.005","90","","90","","90","","3340","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 Au Cl4 I N3 O -","- C32 H27 Au Cl4 I N3 O -","- C128 H108 Au4 Cl16 I4 N12 O4 -","4","1","","Wang, Wenfeng; Yang, Jinming; Wang, Feijun; Shi, Min","Axially Chiral N-Heterocyclic Carbene Gold(I) Complex Catalyzed Asymmetric Cycloisomerization of 1,6-Enynes","Organometallics","2011","30","14","3859","","10.1021/om2004404","","","0.71073","MoKα","","0.101","0.0635","","","0.1464","0.16","","","","","","0.919","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064950","9.2269","0.0005","16.2635","0.0008","19.5119","0.001","90","","90","","90","","2928","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H47 N4 O Ta -","- C29 H47 N4 O Ta -","- C116 H188 N16 O4 Ta4 -","4","1","","Hansen, Michelle C.; Heusser, Carolyn A.; Narayan, Tarun C.; Fong, Kristine E.; Hara, Nagiko; Kohn, Alexander W.; Venning, Alexander R.; Rheingold, Arnold L.; Johnson, Adam R.","Asymmetric Catalytic Intramolecular Hydroamination of Aminoallenes by Tantalum Amidoalkoxide Complexes","Organometallics","2011","30","17","4616","","10.1021/om200446v","","","0.71073","MoKα","","0.0165","0.0156","","","0.0356","0.0358","","","","","","0.949","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4064981","14.858","0.003","15.381","0.003","26.679","0.005","90","","90","","90","","6097","2","113","2","113","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H34 Fe4 Ni O12 P2 S4 Se2 -","- C56 H34 Fe4 Ni O12 P2 S4 Se2 -","- C224 H136 Fe16 Ni4 O48 P8 S16 Se8 -","4","1","","Li, Ling; Song, Li-Cheng; Wang, Miao-Miao; Li, Qian-Li; Song, Hai-Bin","Synthetic and Structural Characterization of Linear and Macrocyclic Ni/Fe/E (E = S, Se) Cluster Complexes","Organometallics","2011","30","18","4899","","10.1021/om2004767","","","0.71073","MoKα","","0.0476","0.0403","","","0.0823","0.0861","","","","","","1.053","","","","has coordinates","178543","2020-10-21","18:00:00",""
"4065003","9.2394","0.0018","18.231","0.003","18.435","0.004","90","","90","","90","","3105.3","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 F6 Fe4 N P -","- C32 H40 F6 Fe4 N P -","- C128 H160 F24 Fe16 N4 P4 -","4","1","","Okazaki, Masaaki; Tsuchimoto, Takahiro; Nakazawa, Yuki; Takano, Masato; Ozawa, Fumiyuki","Reactions of Bromoacetylene with Primary Amine on a Butterfly-Type Tetrairon Core to Give Isonitrile and Methyne through Oxidation and Deprotonation","Organometallics","2011","30","13","3487","","10.1021/om200493b","","x-ray","0.7107","MoKα","","0.0435","0.0388","","","0.0961","0.1","","","","","","1.077","","","","has coordinates,has disorder","178503","2020-10-21","18:00:00",""
"4065030","13.55","0.0003","18.1803","0.0005","27.7471","0.0005","90","","90","","90","","6835.3","0.3","173","1","173","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Compound X","","","- C72.5 H59 Cl O1.5 P3 Ru -","- C71 H56 Cl O P3 Ru -","- C284 H224 Cl4 O4 P12 Ru4 -","4","1","","Berenguer, Jesús; Bernechea, María; Fernández, Julio; Gil, Belén; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Octahedral Alkynylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Electrochemistry","Organometallics","2011","30","17","4665","","10.1021/om2005194","","","0.71073","MoKα","","0.0412","0.0349","","","0.0929","0.0959","","","","","","1.056","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065053","10.7916","0.0014","12.3946","0.0016","14.957","0.002","90","","90","","90","","2000.6","0.5","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 P -","- C27 H21 P -","- C108 H84 P4 -","4","1","","Fowler, Kevin G.; Littlefield, Shalyn L.; Baird, Michael C.; Budzelaar, Peter H. M.","Synthesis, Structures, and Properties of the Phosphonium-1-indenylide (PHIN) Ligands 1-C9H6PPh3, 1-C9H6PMePh2, and 1-C9H6PMe2Ph and of the Corresponding Ruthenium(II) Complexes [Ru(η5-C5H5)(η5-PHIN)]PF6","Organometallics","2011","30","22","6098","","10.1021/om200545j","","","0.71073","MoKα","","0.042","0.0348","","","0.0755","0.0799","","","","","","1.04","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065059","8.0509","0.00013","15.9169","0.0003","16.0586","0.0003","90","","90","","90","","2057.84","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Cl Ir N -","- C25 H25 Cl Ir N -","- C100 H100 Cl4 Ir4 N4 -","4","1","","Liu, Zhe; Habtemariam, Abraha; Pizarro, Ana M.; Clarkson, Guy J.; Sadler, Peter J.","Organometallic Iridium(III) Cyclopentadienyl Anticancer Complexes Containing C,N-Chelating Ligands","Organometallics","2011","30","17","4702","","10.1021/om2005468","","","0.71073","MoKα","","0.0407","0.0368","","","0.0856","0.0886","","","","","","1.054","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065070","9.335","0.003","13.704","0.004","22.207","0.007","90","","90","","90","","2840.9","1.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 B10 Fe2 S2 -","- C26 H30 B10 Fe2 S2 -","- C104 H120 B40 Fe8 S8 -","4","1","","Bai, Wenjuan; Liu, Guifeng; Guoyiqibayi, Gulnisa; Yan, Hong","Reactivity of the 16-Electron CpCo versus Cp*Co Half-Sandwich Complex Containing ano-Carborane-1,2-dithiolate Ligand toward Ethynylferrocene","Organometallics","2011","30","19","5188","","10.1021/om2005518","","","0.71073","MoKα","","0.048","0.0381","","","0.0963","0.1009","","","","","","1.141","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065088","9.9235","0.0002","14.5925","0.0002","22.8391","0.0004","90","","90","","90","","3307.3","0.1","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","1451 AFZI041 (S~Ru~)-[RuCl(p-cymene)((R,S~Fc~)-12)]PF~6~.CHCl~3~","(S~Ru~)-Chloro[(R,S~Fc~)-1-(4,5-dihydrooxazol-2-yl-κN)- 2-[1-(1H-pyrazol-1-yl)ethyl-κN]-ferrocene](ν^6^-p-cymene)ruthenium hexafluorophosphate chloroform solvate","","- C29 H34 Cl4 F6 Fe N3 O P Ru -","- C29 H34 Cl4 F6 Fe N3 O P Ru -","- C116 H136 Cl16 F24 Fe4 N12 O4 P4 Ru4 -","4","1","","Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations","Organometallics","2011","30","17","4711","","10.1021/om200557c","","","0.71073","MoKα","","0.0203","0.0196","","","0.0485","0.0489","","","","","","1.046","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065089","11.539","0.002","12.534","0.002","54.612","0.008","90","","90","","90","","7899","2","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","1473 rasc449 (R~Ru~)-[RuCl(p-cymene)((4S,1'R,R~Fc~)-19)]PF~6~","(R~Ru~)-Chloro[(4S,1'R,RFc)-2-(4,5-dihydro-4-phenyloxazol-2-yl-κN)- 1-[1-(diphenylphosphino)ethyl-κP]-ferrocene](ν~6~-p-cymene)ruthenium hexafluorophosphate","","- C43 H44 Cl F6 Fe N O P2 Ru -","- C43 H44 Cl F6 Fe N O P2 Ru -","- C344 H352 Cl8 F48 Fe8 N8 O8 P16 Ru8 -","8","2","","Schuecker, Raffael; Zirakzadeh, Afrooz; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Structural Features of Chiral Amino-, Pyrazolyl-, and Phosphino-Substituted Ferrocenyloxazolines and Their Application in Asymmetric Hydrogenations","Organometallics","2011","30","17","4711","","10.1021/om200557c","","","0.71073","MoKα","","0.1381","0.1288","","","0.2681","0.2726","","","","","","1.175","","","","has coordinates","178503","2020-10-21","18:00:00",""
"4065123","7.2177","0.0005","12.5755","0.0008","31.99","0.002","90","","90","","90","","2903.6","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Fe P2 -","- C34 H38 Fe P2 -","- C136 H152 Fe4 P8 -","4","1","","Buergler, Jonas F.; Togni, Antonio","Secondary Ferrocenyl Phosphines: Versatile Precursors for the Synthesis of Bi- and Tridentate Ligands","Organometallics","2011","30","17","4742","","10.1021/om200574k","","","0.71073","MoKα","","0.0619","0.0526","","","0.1144","0.1227","","","","","","1.151","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065126","8.5565","0.0006","16.0505","0.0011","19.3687","0.0013","90","","90","","90","","2660","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Cl2 F6 Fe O P2 Pd -","- C24 H27 Cl2 F6 Fe O P2 Pd -","- C96 H108 Cl8 F24 Fe4 O4 P8 Pd4 -","4","1","","Buergler, Jonas F.; Togni, Antonio","Secondary Ferrocenyl Phosphines: Versatile Precursors for the Synthesis of Bi- and Tridentate Ligands","Organometallics","2011","30","17","4742","","10.1021/om200574k","","","0.71073","MoKα","","0.0393","0.0348","","","0.0707","0.0725","","","","","","1.039","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065175","12.7852","0.0003","14.1136","0.0003","18.2078","0.0003","90","","90","","90","","3285.51","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Fe I2 N4 -","- C31 H40 Fe I2 N4 -","- C124 H160 Fe4 I8 N16 -","4","1","","Zlatogorsky, Sergey; Muryn, Christopher A.; Tuna, Floriana; Evans, David J.; Ingleson, Michael J.","Synthesis, Structures, and Reactivity of Chelating Bis-N-Heterocyclic-Carbene Complexes of Iron(II)","Organometallics","2011","30","18","4974","","10.1021/om200605b","","","0.71073","MoKα","","0.0383","0.0268","","","0.0485","0.0499","","","","","","0.881","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065176","12.769","0.005","16.965","0.005","14.683","0.005","90","0.005","90","0.005","90","0.005","3180.7","1.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Br2 Fe N4 -","- C31 H40 Br2 Fe N4 -","- C124 H160 Br8 Fe4 N16 -","4","1","","Zlatogorsky, Sergey; Muryn, Christopher A.; Tuna, Floriana; Evans, David J.; Ingleson, Michael J.","Synthesis, Structures, and Reactivity of Chelating Bis-N-Heterocyclic-Carbene Complexes of Iron(II)","Organometallics","2011","30","18","4974","","10.1021/om200605b","","","0.71073","MoKα","","0.0866","0.0589","","","0.1411","0.1552","","","","","","0.958","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065180","12.8982","0.0012","14.8492","0.0014","21.869","0.002","90","","90","","90","","4188.5","0.7","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H41 Br O P2 Pd S -","- C49 H41 Br O P2 Pd S -","- C196 H164 Br4 O4 P8 Pd4 S4 -","4","1","","Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G.","Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes","Organometallics","2011","30","18","4983","","10.1021/om200607h","","","0.71073","MoKα","","0.0337","0.0253","","","0.0574","0.06","","","","","","1.022","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065181","12.962","0.0014","14.5561","0.0014","21.838","0.002","90","","90","","90","","4120.3","0.7","133","2","133","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H38 Br N O2 P2 Pd S -","- C48 H38 Br N O2 P2 Pd S -","- C192 H152 Br4 N4 O8 P8 Pd4 S4 -","4","1","","Vicente, José; Abad, José Antonio; López-Nicolás, Rosa-María; Jones, Peter G.","Palladated Oligophenylene Thioethers: Synthesis and Reactivity toward Isocyanides, Carbon Monoxide, and Alkynes","Organometallics","2011","30","18","4983","","10.1021/om200607h","","","0.71073","MoKα","","0.041","0.0282","","","0.0456","0.0478","","","","","","0.932","","","","has coordinates","178544","2020-10-21","18:00:00",""
"4065196","9.912","0.0002","14.324","0.0004","34.6778","0.0008","90","","90","","90","","4923.5","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C55 H14 B2 F30 -","- C55 H14 B2 F30 -","- C220 H56 B8 F120 -","4","1","","Liedtke, René; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Frustrated Lewis Pair Reactions With Bis-Acetylenic Substrates: Exploring the Narrow Gap Separating Very Different Competing Reaction Pathways","Organometallics","2011","30","19","5222","","10.1021/om200615n","","","1.54178","CuKα","","0.0657","0.0472","","","0.1121","0.1275","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4065203","9.7567","0.0013","17.805","0.002","31.703","0.004","90","","90","","90","","5507.4","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H67 Fe2 P3 Re -","- C66 H67 Fe2 P3 Re -","- C264 H268 Fe8 P12 Re4 -","4","1","","Mejía, Esteban; Togni, Antonio","Rhenium Complexes Containing the Chiral Tridentate Ferrocenyl Ligand Pigiphos","Organometallics","2011","30","17","4765","","10.1021/om200621y","","","0.71073","MoKα","","0.0674","0.0555","","","0.1302","0.1359","","","","","","1.215","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065208","9.0161","0.0002","11.3196","0.0003","22.2307","0.0005","90","","90","","90","","2268.84","0.09","173","1","173","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","sr77conCD","","","- C22 H18 F6 N5 P Pt -","- C22 H18 F6 N5 P Pt -","- C88 H72 F24 N20 P4 Pt4 -","4","1","","Berenguer, Jesús R.; Díez, Álvaro; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Luminescent Cycloplatinated Complexes Containing Poly(pyrazolyl)-borate and -methane Ligands","Organometallics","2011","30","21","5776","","10.1021/om200624v","","","0.71073","MoKα","","0.0793","0.0454","","","0.0769","0.0888","","","","","","1.041","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065224","8.9773","0.0003","11.4529","0.0004","12.1648","0.0004","90","","90","","90","","1250.74","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[CS_(Me)H]I","","","- C18 H26 I2 N8 S2 -","- C18 H26 I2 N8 S2 -","- C36 H52 I4 N16 S4 -","2","0.5","","Slivarichova, Miriam; Ahmad, Ruaa; Kuo, Yu-Ying; Nunn, Joshua; Haddow, Mairi F.; Othman, Hafiizah; Owen, Gareth R.","New Mixed-Donor Bidentate Ligands Based on N-Heterocyclic Carbene and Thione Donors","Organometallics","2011","30","17","4779","","10.1021/om200629j","","","0.71073","MoKα","","0.0173","0.0164","","","0.0379","0.0381","","","","","","1.062","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065280","8.3242","0.0006","15.0855","0.0009","15.2507","0.0006","90","","90","","90","","1915.1","0.19","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 Al Br2 N Si2 -","- C12 H22 Al Br2 N Si2 -","- C48 H88 Al4 Br8 N4 Si8 -","4","1","","Breit, Nora C.; Ancelet, Travis; Quail, J. Wilson; Schatte, Gabriele; Müller, Jens","Synthesis of Intramolecularly Coordinated Aluminum and Gallium Compounds for the Preparation of [1]Ferrocenophanes","Organometallics","2011","30","22","6150","","10.1021/om200680d","","","0.71073","MoKα","","0.0536","0.0441","","","0.0847","0.0877","","","","","","1.084","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065282","10.3624","0.0003","14.9316","0.0007","29.4464","0.0013","90","","90","","90","","4556.2","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H37 Cl7 Os P2 -","- C51 H37 Cl7 Os P2 -","- C204 H148 Cl28 Os4 P8 -","4","1","","Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Jia, Guochen","Hydrolysis of Osmium and Ruthenium Carbyne Complexes","Organometallics","2011","30","22","6159","","10.1021/om200685v","","","1.54178","CuKα","","0.0356","0.0274","","","0.0515","0.0537","","","","","","1.005","","","","has coordinates","178545","2020-10-21","18:00:00",""
"4065300","11.506","0.002","15.499","0.003","19.929","0.004","90","","90","","90","","3554","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H51 Cl2 N3 Pd -","- C33 H51 Cl2 N3 Pd -","- C132 H204 Cl8 N12 Pd4 -","4","1","","Chen, Ming-Tsz; Vicic, David A.; Turner, Michael L.; Navarro, Oscar","(N-Heterocyclic Carbene)PdCl2(TEA) Complexes: Studies on the Effect of the “Throw-Away” Ligand in Catalytic Activity","Organometallics","2011","30","18","5052","","10.1021/om200699p","","","0.71075","MoKα","","0.0747","0.0507","","","0.083","0.0891","","","","","","1.07","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065328","15.501","0.003","16.367","0.003","17.976","0.003","90","","90","","90","","4560.6","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H53 Cl2 P3 Ru -","- C55 H53 Cl2 P3 Ru -","- C220 H212 Cl8 P12 Ru4 -","4","1","","Allen, Olivia R.; Field, Leslie D.; Magill, Alison M.; Vuong, Khuong Q.; Bhadbhade, Mohan M.; Dalgarno, Scott J.","Ruthenium Complexes of CP3: A New Carbon-Centered Polydentate Podand Ligand","Organometallics","2011","30","23","6433","","10.1021/om200718j","","","0.71073","MoKα","","0.0708","0.0488","","","0.0819","0.0885","","","","","","1.021","","","","has coordinates,has disorder","178546","2020-10-21","18:00:00",""
"4065354","7.8753","0.0017","9.07","0.002","30.441","0.007","90","","90","","90","","2174.4","0.8","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N O P W -","- C22 H32 N O P W -","- C88 H128 N4 O4 P4 W4 -","4","1","","Baillie, Rhett A.; Man, Renee W. Y.; Shree, Monica V.; Chow, Catherine; Thibault, Michelle E.; McNeil, W. Stephen; Legzdins, Peter","Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*M(NO)(CH2CMe3)(η3-CH2CHCHPh) Complexes (M = Mo, W)","Organometallics","2011","30","22","6201","","10.1021/om200731s","","","0.71073","MoKα","","0.0348","0.0309","","","0.0564","0.0573","","","","","","1.118","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065393","9.8039","0.0006","9.8499","0.0008","28.3364","0.0018","90","","90","","90","","2736.4","0.3","293","2","293","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl3 K O6 Pt -","- C21 H28 Cl3 K O6 Pt -","- C84 H112 Cl12 K4 O24 Pt4 -","4","1","","König, Anja; Bette, Martin; Wagner, Christoph; Lindner, Ronald; Steinborn, Dirk","On the Equilibrium between Alkyne and Olefin Platinum(II) Complexes of Zeise’s Salt Type: Syntheses and Characterization of [K(18C6)][PtCl3(RC≡CR′)]","Organometallics","2011","30","21","5919","","10.1021/om200767q","","","0.71073","MoKα","","0.0601","0.0384","","","0.0741","0.0834","","","","","","1.068","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065394","8.257","0.0006","12.1652","0.0007","26.975","0.002","90","","90","","90","","2709.6","0.3","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 Cl3 K O6 Pt -","- C20 H36 Cl3 K O6 Pt -","- C80 H144 Cl12 K4 O24 Pt4 -","4","1","","König, Anja; Bette, Martin; Wagner, Christoph; Lindner, Ronald; Steinborn, Dirk","On the Equilibrium between Alkyne and Olefin Platinum(II) Complexes of Zeise’s Salt Type: Syntheses and Characterization of [K(18C6)][PtCl3(RC≡CR′)]","Organometallics","2011","30","21","5919","","10.1021/om200767q","","","0.71073","MoKα","","0.0454","0.0392","","","0.0939","0.0971","","","","","","1.052","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065399","10.5264","0.0004","15.3887","0.0004","16.0798","0.0006","90","","90","","90","","2604.73","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O2 Se3 Si -","- C25 H28 O2 Se3 Si -","- C100 H112 O8 Se12 Si4 -","4","1","","Taher, Deeb; Corrigan, John F.","Aryl(trimethylsilyl)selenides as Reagents for the Synthesis of Mono- and Diselenoesters","Organometallics","2011","30","21","5943","","10.1021/om200768m","","","0.71073","MoKα","","0.1217","0.0895","","","0.2228","0.2482","","","","","","1.077","","","","has coordinates","178546","2020-10-21","18:00:00",""
"4065410","10.72858","0.00019","18.3278","0.0004","18.7448","0.0004","90","","90","","90","","3685.81","0.13","113","","113","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H61 B10 N4 O Ta -","- C30 H61 B10 N4 O Ta -","- C120 H244 B40 N16 O4 Ta4 -","4","1","","Tsurugi, Hayato; Qiu, Zaozao; Yamamoto, Koji; Arteaga-Müller, Rocio; Mashima, Kazushi; Xie, Zuowei","Synthesis and Reaction of Neutral and Cationic Alkyltantalum Complexes with a Linked Cyclopentadienyl-Carboranyl Ligand","Organometallics","2011","30","21","5960","","10.1021/om200773m","","","0.71075","MoKα","","0.0298","0.0282","","","0.0678","0.0685","","","","","","1.04","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065458","9.7356","0.0002","13.8046","0.0005","28.0546","0.0011","90","","90","","90","","3770.4","0.2","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 B Cl4 F10 N -","- C36 H34 B Cl4 F10 N -","- C144 H136 B4 Cl16 F40 N4 -","4","1","","Xu, Bao-Hua; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","6-Dimethylaminopentafulvene as a Lewis Base Component in Frustrated Lewis Pairs: Reversible Carbon‒Carbon Coupling in FLP Chemistry","Organometallics","2011","30","19","5080","","10.1021/om200818x","","","1.54178","CuKα","","0.0852","0.0724","","","0.1871","0.2013","","","","","","1.023","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065468","7.5831","0.0004","14.1863","0.0005","20.696","0.002","90","","90","","90","","2226.4","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Ge N2 O2 -","- C24 H30 Ge N2 O2 -","- C96 H120 Ge4 N8 O8 -","4","1","","Choong, Sam L.; Woodul, William D.; Schenk, Christian; Stasch, Andreas; Richards, Anne F.; Jones, Cameron","Synthesis, Characterization, and Reactivity of an N-Heterocyclic Germanium(II) Hydride: Reversible Hydrogermylation of a Phosphaalkyne","Organometallics","2011","30","20","5543","","10.1021/om200823x","","","0.71073","MoKα","","0.0366","0.0313","","","0.0612","0.0636","","","","","","1.035","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065476","10.6194","0.0009","19.4491","0.0016","27.882","0.002","90","","90","","90","","5758.7","0.8","133","2","133","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C57 H44 Cl11 N2 O2 P Pd S -","- C57 H44 Cl11 N2 O2 P Pd S -","- C228 H176 Cl44 N8 O8 P4 Pd4 S4 -","4","1","","Mei, Liang-yong; Yuan, Zhi-liang; Shi, Min","Chiral Imidazoline‒Phosphine Ligands for Palladium-Catalyzed Asymmetric Allylic Substitutions","Organometallics","2011","30","23","6466","","10.1021/om2008309","","","0.71073","MoKα","","0.0333","0.0281","","","0.0653","0.0681","","","","","","0.976","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065499","11.1778","0.0014","15.922","0.002","30.769","0.004","90","","90","","90","","5476","1.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H79 F12 O P2 Rh Sb2 -","- C47 H51 F12 O P2 Rh Sb2 -","- C188 H204 F48 O4 P8 Rh4 Sb8 -","4","1","","Carmona, Daniel; Viguri, Fernando; Asenjo, Ainara; Lamata, M. Pilar; Lahoz, Fernando; Garc\?ía-Orduña, Pilar; Oro, L. A.","Enantioselective Catalysts for the Diels‒Alder Reaction between Methacrolein and Cyclopentadiene Based on the Chiral Fragment (η5-C5Me5)M(chiral diphosphane) (M = Rh, Ir)","Organometallics","2011","30","24","6661","","10.1021/om200859z","","","0.71073","MoKα","","0.0994","0.0667","","","0.1596","0.1749","","","","","","1","","","","has coordinates","178547","2020-10-21","18:00:00",""
"4065500","11.1076","0.0003","15.9002","0.0007","30.768","0.001","90","","90","","90","","5434","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H79 F12 Ir O P2 Sb2 -","- C47 H51 F12 Ir O P2 Sb2 -","- C188 H204 F48 Ir4 O4 P8 Sb8 -","4","1","","Carmona, Daniel; Viguri, Fernando; Asenjo, Ainara; Lamata, M. Pilar; Lahoz, Fernando; Garc\?ía-Orduña, Pilar; Oro, L. A.","Enantioselective Catalysts for the Diels‒Alder Reaction between Methacrolein and Cyclopentadiene Based on the Chiral Fragment (η5-C5Me5)M(chiral diphosphane) (M = Rh, Ir)","Organometallics","2011","30","24","6661","","10.1021/om200859z","","","0.71069","MoKα","","0.0841","0.069","","","0.149","0.1552","","","","","","1.075","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065510","9.5362","0.0004","13.0778","0.0006","15.1937","0.001","90","","90","","90","","1894.84","0.17","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 Br2 Fe N4 -","- C15 H24 Br2 Fe N4 -","- C60 H96 Br8 Fe4 N16 -","4","1","","Meyer, Steffen; Orben, Claudia Manuela; Demeshko, Serhiy; Dechert, Sebastian; Meyer, Franc","Synthesis and Characterization of Di- and Tetracarbene Iron(II) Complexes with Chelating N-Heterocyclic Carbene Ligands and Their Application in Aryl Grignard‒Alkyl Halide Cross-Coupling","Organometallics","2011","30","24","6692","","10.1021/om200870w","","","0.71073","MoKα","","0.0543","0.045","","","0.1022","0.1051","","","","","","1.031","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065532","8.4367","0.0005","17.7889","0.0011","21.5854","0.0013","90","","90","","90","","3239.5","0.3","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Fe Ge O2 -","- C37 H42 Fe Ge O2 -","- C148 H168 Fe4 Ge4 O8 -","4","1","","Lei, Hao; Guo, Jing-Dong; Fettinger, James C.; Nagase, Shigeru; Power, Philip P.","Synthesis, Characterization, and CO Elimination of Ferrio-Substituted Two-Coordinate Germylenes and Stannylenes","Organometallics","2011","30","22","6316","","10.1021/om200912x","","","0.71073","MoKα","","0.041","0.0306","","","0.0661","0.0687","","","","","","1.046","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065534","8.3971","0.0005","18.0138","0.001","21.7207","0.0013","90","","90","","90","","3285.6","0.3","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Fe O2 Sn -","- C37 H42 Fe O2 Sn -","- C148 H168 Fe4 O8 Sn4 -","4","1","","Lei, Hao; Guo, Jing-Dong; Fettinger, James C.; Nagase, Shigeru; Power, Philip P.","Synthesis, Characterization, and CO Elimination of Ferrio-Substituted Two-Coordinate Germylenes and Stannylenes","Organometallics","2011","30","22","6316","","10.1021/om200912x","","","0.71073","MoKα","","0.0345","0.0286","","","0.0654","0.067","","","","","","1.153","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065590","10.0471","0.0005","17.474","0.0008","19.4109","0.0009","90","","90","","90","","3407.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H38 O4 Ru -","- C41 H38 O4 Ru -","- C164 H152 O16 Ru4 -","4","1","","Casey, Charles P.; Jiao, Xiangdong; Guzei, Ilia. A.","Formation of β-Ruthenium-Substituted Enones from Propargyl Alcohols†","Organometallics","2010","29","21","4829","","10.1021/om100012j","","","0.71073","MoKα","","0.0651","0.0546","","","0.1266","0.1317","","","","","","1.027","","","","has coordinates,has disorder","178548","2020-10-21","18:00:00",""
"4065595","11.4764","0.0009","13.7904","0.0011","23.9828","0.0019","90","","90","","90","","3795.6","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Cl6 F6 P2 Pd -","- C36 H26 Cl6 F6 P2 Pd -","- C144 H104 Cl24 F24 P8 Pd4 -","4","1","","Armanino, Nicolas; Koller, Raffael; Togni, Antonio","Electrophilic Trifluoromethylation of Primary Phosphines: Synthesis of aP-Bis(trifluoromethyl) Derivative of BINAP","Organometallics","2010","29","7","1771","","10.1021/om100015s","","","0.71073","MoKα","","0.0359","0.0328","","","0.0824","0.0842","","","","","","1.025","","","","has coordinates","178548","2020-10-21","18:00:00",""
"4065615","10.7787","0.0002","14.8681","0.0002","21.6983","0.0003","90","","90","","90","","3477.34","0.09","150","","150","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H47 Cl N2 Pd -","- C40 H47 Cl N2 Pd -","- C160 H188 Cl4 N8 Pd4 -","4","1","","Dastgir, Sarim; Coleman, Karl S.; Cowley, Andrew R.; Green, Malcolm L. H.","Synthesis, Structure, and Temperature-Dependent Dynamics of Neutral Palladium Allyl Complexes of Annulated Diaminocarbenes and Their Catalytic Application for C−C and C−N Bond Formation Reactions†","Organometallics","2010","29","21","4858","","10.1021/om1000327","","","0.71073","MoKα","","0.046","0.033","","0.0494","0.0327","0.0327","","","","","","1.1049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4065619","14.264","0.0009","16.541","0.0009","16.7437","0.0009","90","","90","","90","","3950.5","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H39 Li N2 -","- C18 H39 Li N2 -","- C144 H312 Li8 N16 -","8","2","","Gessner, Viktoria H.; Strohmann, Carsten","Lithiation of Diamine Ligands to Chiral Building Blocks: Syntheses, Selectivities, and Lithiated Intermediates","Organometallics","2010","29","7","1858","","10.1021/om100035g","","","0.71073","MoKα","","0.0842","0.0418","","","0.0602","0.0629","","","","","","1.017","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065623","9.3836","0.0013","17.76","0.002","18.128","0.002","90","","90","","90","","3021.1","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 Fe2 N2 O6 Se -","- C29 H34 Fe2 N2 O6 Se -","- C116 H136 Fe8 N8 O24 Se4 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Renili, Filippo; Zacchini, Stefano; Zanotti, Valerio","Addition of Alkynes to Zwitterionic μ-Vinyliminium Diiron Complexes: New Selenophene (Thiophene) and Vinyl Chalcogenide Functionalized Bridging Ligands","Organometallics","2010","29","7","1797","","10.1021/om100037t","","","0.71073","MoKα","","0.07","0.0461","","","0.103","0.1182","","","","","","1.025","","","","has coordinates,has disorder","178549","2020-10-21","18:00:00",""
"4065625","11.1621","0.0008","12.896","0.0009","19.3602","0.0013","90","","90","","90","","2786.8","0.3","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Au F3 I N2 O3 S -","- C24 H31 Au F3 I N2 O3 S -","- C96 H124 Au4 F12 I4 N8 O12 S4 -","4","1","","Venugopal, Ajay; Ghosh, Manik Kumer; Jürgens, Hannes; Törnroos, Karl W.; Swang, Ole; Tilset, Mats; Heyn, Richard H.","(β-Diketiminato)dimethylgold(III): Synthesis, Structure, and Reactivity","Organometallics","2010","29","10","2248","","10.1021/om100038f","","","0.71073","MoKα","","0.0142","0.0139","","","0.0401","0.0402","","","","","","0.912","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065633","13.167","0.014","20.65","0.02","38.82","0.04","90","","90","","90","","10555","19","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C78 H80 F12 N12 O12 Pd2 S8 -","- C77 H80 F9 N12 O9 Pd2 S7 -","- C308 H320 F36 N48 O36 Pd8 S28 -","4","1","","Xiao, Xu-Qiong; Jia, Ai-Quan; Lin, Yue-Jian; Jin, Guo-Xin","Self-Assembly of Palladium-Based Macrocycles with N-Heterocyclic Carbene as the “Corner” Ligand†","Organometallics","2010","29","21","4842","","10.1021/om100040g","","","0.71073","MoKα","","0.213","0.092","","","0.1674","0.193","","","","","","0.818","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065635","7.3911","0.0019","17.4","0.004","22.35","0.006","90","","90","","90","","2874.3","1.3","193.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O9 Ru Si2 -","- C23 H22 O9 Ru Si2 -","- C92 H88 O36 Ru4 Si8 -","4","1","","Yamamoto, Yoshihiko; Yamashita, Ken; Nakamura, Mitsutaka","Synthesis of Organometallic Analogues of SpirocyclicC-Arylribosides","Organometallics","2010","29","6","1472","","10.1021/om100043f","","","0.7107","MoKα","","","0.0357","","","","0.0861","","","","","","1.008","","","","has coordinates","275192","2022-05-07","02:41:13",""
"4065636","10.9899","0.0012","12.6076","0.0014","21.938","0.002","90","","90","","90","","3039.6","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl2 O9 Ru Si -","- C27 H30 Cl2 O9 Ru Si -","- C108 H120 Cl8 O36 Ru4 Si4 -","4","1","","Yamamoto, Yoshihiko; Yamashita, Ken; Nakamura, Mitsutaka","Synthesis of Organometallic Analogues of SpirocyclicC-Arylribosides","Organometallics","2010","29","6","1472","","10.1021/om100043f","","","0.71073","MoKα","","0.0308","0.0292","","","0.0714","0.0722","","","","","","1.069","","","","has coordinates","275192","2022-05-07","02:41:13",""
"4065637","7.775","0.0006","18.5454","0.0015","20.0881","0.0017","90","","90","","90","","2896.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O9 Ru Si2 -","- C23 H32 O9 Ru Si2 -","- C92 H128 O36 Ru4 Si8 -","4","1","","Yamamoto, Yoshihiko; Yamashita, Ken; Nakamura, Mitsutaka","Synthesis of Organometallic Analogues of SpirocyclicC-Arylribosides","Organometallics","2010","29","6","1472","","10.1021/om100043f","","","0.71073","MoKα","","0.0493","0.041","","","0.1012","0.1068","","","","","","1.017","","","","has coordinates","275192","2022-05-07","02:41:13",""
"4065638","10.2145","0.0005","13.1978","0.0007","29.3781","0.0016","90","","90","","90","","3960.4","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 O11 Ru2 Si2 -","- C34 H42 O11 Ru2 Si2 -","- C136 H168 O44 Ru8 Si8 -","4","1","","Yamamoto, Yoshihiko; Yamashita, Ken; Nakamura, Mitsutaka","Synthesis of Organometallic Analogues of SpirocyclicC-Arylribosides","Organometallics","2010","29","6","1472","","10.1021/om100043f","","","0.71073","MoKα","","0.0272","0.0261","","","0.0674","0.0682","","","","","","1.052","","","","has coordinates","275192","2022-05-07","02:41:13",""
"4065651","14.9787","0.0003","19.8518","0.0004","28.4798","0.0006","90","","90","","90","","8468.6","0.3","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37.75 H51.75 Cl1.75 N6 Ni O3.25 -","- C37.75 H51.75 Cl1.75 N6 Ni O3.25 -","- C302 H414 Cl14 N48 Ni8 O26 -","8","2","","Jean-Baptiste dit Dominique, François; Gornitzka, Heinz; Hemmert, Catherine","Chiral Variation of a Hybrid Bis(carbene-amido) Ligand System","Organometallics","2010","29","13","2868","","10.1021/om100048d","","","0.71073","MoKα","","0.0781","0.0541","","","0.1426","0.164","","","","","","1.071","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4065674","10.246","0.002","12.522","0.003","14.85","0.003","90","","90","","90","","1905.3","0.7","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 Ge I3 N2 -","- C12 H23 Ge I3 N2 -","- C48 H92 Ge4 I12 N8 -","4","1","","Rupar, Paul A.; Staroverov, Viktor N.; Baines, Kim M.","Reactivity Studies of N-Heterocyclic Carbene Complexes of Germanium(II)†","Organometallics","2010","29","21","4871","","10.1021/om100059z","","x-ray","0.71073","MoKα","","0.1095","0.0526","","","0.1125","0.1357","","","","","","0.994","","","","has coordinates","178549","2020-10-21","18:00:00",""
"4065719","6.1089","0.0008","13.4009","0.0018","27.796","0.003","90","","90","","90","","2275.5","0.5","173.1","","173.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 Br O -","- C31 H21 Br O -","- C124 H84 Br4 O4 -","4","1","","Kanao, Keiichiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Ruthenium-Catalyzed Enantioselective [3+3] Cycloaddition of Propargylic Alcohols with 2-Naphthols","Organometallics","2010","29","9","2126","","10.1021/om100097k","","","0.71075","MoKα","","","0.0634","","","","0.2271","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065758","11.834","0.002","14.601","0.003","16.589","0.003","90","","90","","90","","2866.4","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H44 Li N O P2 S2 -","- C23 H44 Li N O P2 S2 -","- C92 H176 Li4 N4 O4 P8 S8 -","4","1","","Leung, Wing-Por; Kan, Kwok-Wai; Mak, Thomas C. W.","Synthesis of Heavier Group 14 Metal Compounds from 2,6-Lutidylbis(phosphoranosulfide)","Organometallics","2010","29","8","1890","","10.1021/om1001167","","","0.71073","MoKα","","0.131","0.0605","","","0.1585","0.1942","","","","","","0.98","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065787","10.5341","0.0006","13.8362","0.0007","17.5315","0.0008","90","","90","","90","","2555.2","0.2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl2 Fe N2 P Pd -","- C27 H25 Cl2 Fe N2 P Pd -","- C108 H100 Cl8 Fe4 N8 P4 Pd4 -","4","1","","Debono, Nathalie; Labande, Agnès; Manoury, Eric; Daran, Jean-Claude; Poli, Rinaldo","Palladium Complexes of Planar Chiral Ferrocenyl Phosphine-NHC Ligands: New Catalysts for the Asymmetric Suzuki−Miyaura Reaction","Organometallics","2010","29","8","1879","","10.1021/om100125k","","","0.71073","MoKα","","0.0313","0.0243","","","0.0524","0.0552","","","","","","1.034","","","","has coordinates","178550","2020-10-21","18:00:00",""
"4065812","9.4617","0.0001","13.8364","0.0002","15.833","0.0002","90","","90","","90","","2072.79","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O8 Ru3 -","- C15 H16 N2 O8 Ru3 -","- C60 H64 N8 O32 Ru12 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; Pérez-Carreño, Enrique; Vázquez-García, Digna","From Allenes to Edge-Bridging Allyl Ligands or Face-Capping Alkenyl Ligands on a Triruthenium Hydrido Carbonyl Cluster: An Experimental and DFT Computational Study†","Organometallics","2010","29","21","4818","","10.1021/om100148z","","","0.71073","MoKα","","0.0298","0.0235","","","0.0575","0.0645","","","","","","1.06","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065834","12.9219","0.0003","18.4221","0.0004","18.6609","0.0004","90","","90","","90","","4442.2","0.17","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H64 N4 O2 Zn2 -","- C48 H64 N4 O2 Zn2 -","- C192 H256 N16 O8 Zn8 -","4","1","","Drouin, Frédéric; Oguadinma, Paul O.; Whitehorne, Todd J. J.; Prud’homme, Robert E.; Schaper, Frank","Lactide Polymerization with Chiral β-Diketiminate Zinc Complexes","Organometallics","2010","29","9","2139","","10.1021/om100154w","","","1.54178","CuKα","","0.0351","0.0293","","","0.0635","0.065","","","","","","0.97","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065838","18.122","0.004","18.522","0.004","21.842","0.004","90","","90","","90","","7331","3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H114 Ba Ga2 N8 O -","- C68 H114 Ba Ga2 N8 O -","- C272 H456 Ba4 Ga8 N32 O4 -","4","1","","Bonello, Owen; Jones, Cameron; Stasch, Andreas; Woodul, William D.","Group 2 and 12 Metal Gallyl Complexes Containing Unsupported Ga−M Covalent Bonds (M = Mg, Ca, Sr, Ba, Zn, Cd)†","Organometallics","2010","29","21","4914","","10.1021/om1001606","","","0.71073","MoKα","","0.0402","0.0314","","","0.0671","0.0708","","","","","","1.038","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065875","9.7944","0.0016","12.732","0.002","14.907","0.003","90","","90","","90","","1858.9","0.6","193.1","","193","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl F3 N2 O2 Rh S -","- C15 H21 Cl F3 N2 O2 Rh S -","- C60 H84 Cl4 F12 N8 O8 Rh4 S4 -","4","1","","Ito, Masato; Endo, Yoshinori; Tejima, Noriko; Ikariya, Takao","Bifunctional Triflylamide-Tethered Cp′Rh and Cp′Ir Complexes: A New Entry for Asymmetric Hydrogenation Catalysts","Organometallics","2010","29","11","2397","","10.1021/om1001809","","","0.7107","MoKα","","","0.0208","","","","0.0557","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065878","9.804","0.0009","12.7434","0.0007","14.8864","0.0008","90","","90","","90","","1859.9","0.2","193.1","","193","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl F3 Ir N2 O2 S -","- C15 H21 Cl F3 Ir N2 O2 S -","- C60 H84 Cl4 F12 Ir4 N8 O8 S4 -","4","1","","Ito, Masato; Endo, Yoshinori; Tejima, Noriko; Ikariya, Takao","Bifunctional Triflylamide-Tethered Cp′Rh and Cp′Ir Complexes: A New Entry for Asymmetric Hydrogenation Catalysts","Organometallics","2010","29","11","2397","","10.1021/om1001809","","","0.7107","MoKα","","","0.0177","","","","0.0531","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065887","10.6487","0.0005","16.7577","0.0008","25.3727","0.0012","90","","90","","90","","4527.7","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Rh2(dippe)2(m-Cl)(m-SC12H9)] (7)","","","- C40 H73 Cl P4 Rh2 S -","- C40 H73 Cl P4 Rh2 S -","- C160 H292 Cl4 P16 Rh8 S4 -","4","1","","Oster, Stephen S.; Grochowski, Matthew R.; Lachicotte, Rene J.; Brennessel, William W.; Jones, William D.","Carbon−Sulfur Bond Activation of Dibenzothiophenes and Phenoxythiin by [Rh(dippe)(μ-H)]2and [Rh2(dippe)2(μ-Cl)(μ-H)]†","Organometallics","2010","29","21","4923","","10.1021/om1001815","","","0.71073","MoKα","","0.0453","0.0389","","","0.0933","0.0965","","","","","","0.869","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065890","13.757","0.002","16.524","0.003","17.039","0.003","90","","90","","90","","3873.3","1.1","122","2","122","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H57 Cl N3 Nb -","- C40 H57 Cl N3 Nb -","- C160 H228 Cl4 N12 Nb4 -","4","1","","Tomson, Neil C.; Arnold, John; Bergman, Robert G.","Halo, Alkyl, Aryl, and Bis(imido) Complexes of Niobium Supported by the beta-Diketiminato Ligand.","Organometallics","2010","29","13","2926","2942","10.1021/om1001827","","","0.71073","MoKα","","0.0617","0.0473","","","0.1137","0.1239","","","","","","0.969","","","","has coordinates","178551","2020-10-21","18:00:00",""
"4065904","9.5062","0.0002","13.9783","0.0003","26.3393","0.0006","90","","90","","90","","3499.98","0.13","173","","","","","","","","","","LOC ETH Zurich","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H52 Cl O2 P Ru -","- C39 H52 Cl O2 P Ru -","- C156 H208 Cl4 O8 P4 Ru4 -","4","1","","Torker, Sebastian; Müller, Andre; Sigrist, Raphael; Chen, Peter","Tuning the Steric Properties of a Metathesis Catalyst for Copolymerization of Norbornene and Cyclooctene toward Complete Alternation","Organometallics","2010","29","12","2735","","10.1021/om100185g","","","0.71073","MoKα","","0.0662","0.0494","","","0.1277","0.1453","","","","","","0.941","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065951","11.0984","0.0002","14.5283","0.0002","14.7057","0.0003","90","","90","","90","","2371.16","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 F6 N2 P -","- C23 H29 F6 N2 P -","- C92 H116 F24 N8 P4 -","4","1","","Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.","Metal Complexes of Chiral NHCs Containing a Fused Six- and Seven-Membered Central Ring","Organometallics","2010","29","12","2724","","10.1021/om1002107","","","0.71073","MoKα","","0.0688","0.0481","","","0.0993","0.1101","","","","","","1.044","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065953","14.2752","0.0003","17.6422","0.0003","21.555","0.0004","90","","90","","90","","5428.54","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Cl N2 Rh -","- C31 H40 Cl N2 Rh -","- C248 H320 Cl8 N16 Rh8 -","8","2","","Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.","Metal Complexes of Chiral NHCs Containing a Fused Six- and Seven-Membered Central Ring","Organometallics","2010","29","12","2724","","10.1021/om1002107","","","0.71073","MoKα","","0.0865","0.061","","","0.1341","0.1501","","","","","","1.025","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065954","17.6218","0.0003","14.3216","0.0003","21.4272","0.0004","90","","90","","90","","5407.63","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Cl Ir N2 -","- C31 H40 Cl Ir N2 -","- C248 H320 Cl8 Ir8 N16 -","8","2","","Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.","Metal Complexes of Chiral NHCs Containing a Fused Six- and Seven-Membered Central Ring","Organometallics","2010","29","12","2724","","10.1021/om1002107","","","0.71073","MoKα","","0.077","0.0507","","","0.1096","0.124","","","","","","1.03","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065956","8.067","0.0004","14.0748","0.0007","20.5513","0.001","90","","90","","90","","2333.4","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Cl F6 N4 Ni P -","- C21 H26 Cl F6 N4 Ni P -","- C84 H104 Cl4 F24 N16 Ni4 P4 -","4","1","","Newman, Paul D.; Cavell, Kingsley J.; Kariuki, Benson M.","Metal Complexes of Chiral NHCs Containing a Fused Six- and Seven-Membered Central Ring","Organometallics","2010","29","12","2724","","10.1021/om1002107","","","0.71073","MoKα","","0.1007","0.065","","","0.1106","0.1231","","","","","","1.105","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065965","11.9514","0.0002","20.5456","0.0004","27.5729","0.0006","90","","90","","90","","6770.5","0.2","173.1","","173.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H78 B Cl5 F4 Ru2 S2 -","- C73 H78 B Cl5 F4 Ru2 S2 -","- C292 H312 B4 Cl20 F16 Ru8 S8 -","4","1","","Kanao, Keiichiro; Tanabe, Yoshiaki; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Intramolecular Edge-to-Face Aromatic π−π Interaction in Optically Active Ruthenium−Allenylidene Complexes for Enantioselective Propargylic Substitution Reactions","Organometallics","2010","29","10","2381","","10.1021/om100227n","","","0.71075","MoKα","","","0.0383","","","","0.0825","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4065968","10.182","0.002","11.955","0.002","21.988","0.004","90","","90","","90","","2676.5","0.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl N2 O2 P Pd -","- C25 H33 Cl N2 O2 P Pd -","- C100 H132 Cl4 N8 O8 P4 Pd4 -","4","1","","Zhang, Ben-Shang; Wang, Wei; Shao, Dan-Dan; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes of (Imidazolinyl)aryl Phosphinite Ligands: Synthesis via Ligand C−H Activation, Crystal Structures, and Catalytic Studies","Organometallics","2010","29","11","2579","","10.1021/om100232n","","","0.71073","MoKα","","0.0938","0.0825","","","0.1731","0.1813","","","","","","1.071","","","","has coordinates,has disorder","178552","2020-10-21","18:00:00",""
"4065969","10.027","0.002","13.717","0.003","22.099","0.004","90","","90","","90","","3039.5","1.1","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Cl N2 O2 P Pd -","- C30 H28 Cl N2 O2 P Pd -","- C120 H112 Cl4 N8 O8 P4 Pd4 -","4","1","","Zhang, Ben-Shang; Wang, Wei; Shao, Dan-Dan; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes of (Imidazolinyl)aryl Phosphinite Ligands: Synthesis via Ligand C−H Activation, Crystal Structures, and Catalytic Studies","Organometallics","2010","29","11","2579","","10.1021/om100232n","","","0.71073","MoKα","","0.0426","0.0416","","","0.112","0.1129","","","","","","1.143","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4065972","9.918","0.002","14.418","0.003","23.256","0.005","90","","90","","90","","3325.6","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 Cl3 N2 O2 P Pd -","- C33 H34 Cl3 N2 O2 P Pd -","- C132 H136 Cl12 N8 O8 P4 Pd4 -","4","1","","Zhang, Ben-Shang; Wang, Wei; Shao, Dan-Dan; Hao, Xin-Qi; Gong, Jun-Fang; Song, Mao-Ping","Unsymmetrical Chiral PCN Pincer Palladium(II) and Nickel(II) Complexes of (Imidazolinyl)aryl Phosphinite Ligands: Synthesis via Ligand C−H Activation, Crystal Structures, and Catalytic Studies","Organometallics","2010","29","11","2579","","10.1021/om100232n","","","0.71073","MoKα","","0.0544","0.0501","","","0.1285","0.137","","","","","","1.074","","","","has coordinates","178552","2020-10-21","18:00:00",""
"4066007","16.0037","0.0009","19.4167","0.0011","22.5945","0.0012","90","","90","","90","","7021","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H76 Br2 Cu6 N4 P4 Si4 -","- C62 H76 Br2 Cu6 N4 P4 Si4 -","- C248 H304 Br8 Cu24 N16 P16 Si16 -","4","1","","Ma, Guibin; Ferguson, Michael J.; McDonald, Robert; Cavell, Ronald G.","Rare, Hexatomic, Boat-Shaped, Cross-Linked Bis(iminodiphenylphosphorano)methanediide Pincer Carbon Bridged Photoluminescent Copper Clusters Capped with Methyl or Halide Bridges","Organometallics","2010","29","19","4251","","10.1021/om1002478","","","0.71073","MoKα","","0.0475","0.0348","","","0.0748","0.0796","","","","","","1.024","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066012","10.1359","0.0007","14.4717","0.001","24.2819","0.0018","90","","90","","90","","3561.8","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 Cl N4 O4 P2 Rh -","- C38 H34 Cl N4 O4 P2 Rh -","- C152 H136 Cl4 N16 O16 P8 Rh4 -","4","1","","Drinkel, Emma; Briceño, Alexander; Dorta, Reto; Dorta, Romano","Hemilabile P-Alkene Ligands in Chiral Rhodium and Copper Complexes: Catalytic Asymmetric 1,4 Additions to Enones. 2†,(1)","Organometallics","2010","29","11","2503","","10.1021/om100248u","","","0.7107","MoKα","","0.0748","0.044","","","0.0841","0.0999","","","","","","1.138","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066017","16.183","0.003","18.546","0.002","10.144","0.004","90","","90","","90","","3044.5","1.4","200","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H45 P3 Ru S2 -","- C25 H45 P3 Ru S2 -","- C100 H180 P12 Ru4 S8 -","4","1","","Hirano, Masafumi; Togashi, Sayaka; Ito, Muneaki; Sakaguchi, Yuko; Komine, Nobuyuki; Komiya, Sanshiro","Carbon−Hydrogen Bond Cleavage Reaction in 5-Coordinate Bis(2,6-dimethylbenzenethiolato)ruthenium(II) Complexes","Organometallics","2010","29","14","3146","","10.1021/om100249s","","","0.71069","MoKα","","","0.042","","","","0.0962","","","","","","0.713","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066021","10.847","0.017","17.61","0.04","21.45","0.04","90","","90","","90","","4097","14","107","2","107","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H55 N4 Nb -","- C38 H55 N4 Nb -","- C152 H220 N16 Nb4 -","4","1","","Tomson, Neil C.; Arnold, John; Bergman, Robert G.","Synthesis, Characterization, and Reactions of Isolable (β-Diketiminato)Nb(III) Imido Complexes.","Organometallics","2010","29","21","5010","5025","10.1021/om1002528","","","0.71073","MoKα","","0.0771","0.057","","","0.1246","0.1333","","","","","","1.021","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066022","10.4856","0.0018","18.636","0.003","21.082","0.004","90","","90","","90","","4119.6","1.2","155","2","155","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H58 N3 Nb O -","- C37 H58 N3 Nb O -","- C148 H232 N12 Nb4 O4 -","4","1","","Tomson, Neil C.; Arnold, John; Bergman, Robert G.","Synthesis, Characterization, and Reactions of Isolable (β-Diketiminato)Nb(III) Imido Complexes.","Organometallics","2010","29","21","5010","5025","10.1021/om1002528","","","0.71073","MoKα","","0.0504","0.0417","","","0.0896","0.0922","","","","","","0.966","","","","has coordinates,has disorder","178504","2020-10-21","18:00:00",""
"4066035","7.3508","0.0013","11.578","0.005","44.049","0.008","90","","90","","90","","3748.9","1.9","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 Cr O6 -","- C21 H14 Cr O6 -","- C168 H112 Cr8 O48 -","8","2","","Hegele, Peter; Santhamma, Bindu; Schnakenburg, Gregor; Fröhlich, Roland; Kataeva, Olga; Nieger, Martin; Kotsis, Konstantinos; Neese, Frank; Dötz, Karl Heinz","Hydroquinoid Chromium Complexes Bearing an Acyclic Conjugated Bridge: Chromium-Templated Synthesis, Molecular Structure, and Haptotropic Metal Migration","Organometallics","2010","29","23","6172","","10.1021/om100257x","","","0.71073","MoKα","","0.1445","0.0658","","","0.134","0.1536","","","","","","0.759","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066076","19.357","0.003","22.915","0.003","31.461","0.004","90","","90","","90","","13955","3","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","eisjz03","","","- C40 H46 Cl10 N2 O2 P2 Pd -","- C40 H46 Cl10 N2 O2 P2 Pd -","- C480 H552 Cl120 N24 O24 P24 Pd12 -","12","3","","Zhang, Jing; Vaidya, Tulaza; Brennessel, William W.; Frontier, Alison J.; Eisenberg, Richard","Dicationic Palladium(II) Complexes as Active Lewis Acid Catalysts for Polarized Nazarov Cyclization","Organometallics","2010","29","15","3341","","10.1021/om100274g","","","0.71073","MoKα","","0.1179","0.0697","","","0.1517","0.1764","","","","","","1.009","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066080","9.9516","0.0004","20.81","0.0008","21.9195","0.0008","90","","90","","90","","4539.4","0.3","128","2","128","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H76 Al N5 Si2 -","- C43 H76 Al N5 Si2 -","- C172 H304 Al4 N20 Si8 -","4","1","","Koller, Jürgen; Bergman, Robert G.","Synthesis, Characterization, and Reactivity of Aluminum Alkyl/Amide Complexes Supported by Guanidinate and Monoanionic OCO-Pincer Ligands","Organometallics","2010","29","15","3350","","10.1021/om100278b","","","0.71073","MoKα","","0.0422","0.0348","","","0.0821","0.0861","","","","","","1.037","","","","has coordinates","178504","2020-10-21","18:00:00",""
"4066128","7.908","0.0006","15.9173","0.0012","21.9238","0.0017","90","","90","","90","","2759.6","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 B Mo N6 O7 -","- C24 H27 B Mo N6 O7 -","- C96 H108 B4 Mo4 N24 O28 -","4","1","","Coombs, Thomas C.; Huang, Wenwei; Garnier-Amblard, Ethel C; Liebeskind, Lanny S.","Novel Substitutions of 1-Alkoxy- and 1-Arylsulfonyloxy-η-Allylmolybdenum Complexes. A Case for η-Alkenyl Carbene Complexes as Intermediates.","Organometallics","2010","29","21","5083","5097","10.1021/om100305f","","","0.71073","MoKα","","0.0191","0.0186","","","0.0479","0.0481","","","","","","1.053","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066130","10.3216","0.0016","16.393","0.003","17.924","0.003","90","","90","","90","","3032.8","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 B Mo N6 O9 -","- C26 H33 B Mo N6 O9 -","- C104 H132 B4 Mo4 N24 O36 -","4","1","","Coombs, Thomas C.; Huang, Wenwei; Garnier-Amblard, Ethel C; Liebeskind, Lanny S.","Novel Substitutions of 1-Alkoxy- and 1-Arylsulfonyloxy-η-Allylmolybdenum Complexes. A Case for η-Alkenyl Carbene Complexes as Intermediates.","Organometallics","2010","29","21","5083","5097","10.1021/om100305f","","","0.71073","MoKα","","0.0827","0.049","","","0.1125","0.1272","","","","","","1.029","","","","has coordinates","178553","2020-10-21","18:00:00",""
"4066142","11.332","0.005","16.968","0.005","24.29","0.005","90","","90","","90","","4671","3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2","","","- C46 H76 K2 N2 O5 -","- C46 H76 K2 N2 O5 -","- C184 H304 K8 N8 O20 -","4","1","","Panda, Tarun K.; Kaneko, Hiroshi; Pal, Kuntal; Tsurugi, Hayato; Mashima, Kazushi","Salt Metathesis and Direct Reduction Reactions Leading to Group 3 Metal Complexes with aN,N′-Bis(2,6-diisopropylphenyl)-1,4-diaza-1,3-butadiene Ligand and Their Solid-State Structures","Organometallics","2010","29","11","2610","","10.1021/om1003144","","","0.71075","MoKα","","0.0841","0.0794","","","0.2377","0.2439","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066170","12.1626","0.0002","20.6325","0.0006","21.2621","0.0006","90","","90","","90","","5335.6","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H9 B Cl4 F35 N -","- C55 H9 B Cl4 F35 N -","- C220 H36 B4 Cl16 F140 N4 -","4","1","","Fan, Cheng; Piers, Warren E.; Parvez, Masood; McDonald, Robert","Divergent Reactivity of Perfluoropentaphenylborole with Alkynes§","Organometallics","2010","29","21","5132","","10.1021/om100334r","","","0.71073","MoKα","","0.0849","0.0602","","","0.1058","0.1233","","","","","","1.189","","","","has coordinates,has disorder","178553","2020-10-21","18:00:00",""
"4066195","10.723","0.002","12.889","0.002","16.683","0.003","90","","90","","90","","2305.7","0.7","120","0.1","120","2","","","","","","","synthesis as described","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 B F4 Fe2 N2 O3 P -","- C20 H24 B F4 Fe2 N2 O3 P -","- C80 H96 B4 F16 Fe8 N8 O12 P4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ruiz, Miguel A.","Reactions of the Phosphinidene-Bridged Complexes [Fe2(η5-C5H5)2(μ-PR)(μ-CO)(CO)2] (R = Cy, Ph, 2,4,6-C6H2tBu3) with Diazoalkanes. Formation and Rearrangements of Phosphadiazadiene-Bridged Derivatives†","Organometallics","2010","29","21","5140","","10.1021/om100345e","","x-ray","0.71073","MoKα","","0.0281","0.0238","","","0.0496","0.051","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066206","8.9357","0.0018","14.007","0.003","17.48","0.004","90","","90","","90","","2187.8","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 B4 F4 Mn2 O4 -","- C21 H30 B F4 Mn O3 -","- C84 H120 B4 F16 Mn4 O12 -","4","1","","Dai, Wei; Kim, Sang Bok; Pike, Robert D.; Cahill, Christopher L.; Sweigart, Dwight A.","Electrochemical Study of Manganese and Rhenium Arene Complexes (C6R6)M(CO)3+(R = Me, Et)§","Organometallics","2010","29","21","5173","","10.1021/om100350e","","","0.71073","MoKα","","0.0559","0.0442","","","0.0954","0.1","","","","","","1.023","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066214","10.5512","0.001","15.4223","0.0016","23.297","0.002","90","","90","","90","","3791","0.6","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H45 Cl N2 O4 P2 Pd -","- C39 H45 Cl N2 O4 P2 Pd -","- C156 H180 Cl4 N8 O16 P8 Pd4 -","4","1","","Chen, Shuli; Ng, Joseph Kok-Peng; Pullarkat, Sumod A.; Liu, Fengli; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of New Diphosphines and Pyridylphosphines via a Kinetic Resolution Process Promoted and Controlled by a Chiral Palladacycle","Organometallics","2010","29","15","3374","","10.1021/om100358g","","","0.71073","MoKα","","0.065","0.0497","","","0.0928","0.0981","","","","","","1.053","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066215","12.5387","0.0008","16.3372","0.001","18.7069","0.0011","90","","90","","90","","3832.1","0.4","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 Cl3 N O4 P2 Pd -","- C38 H44 Cl3 N O4 P2 Pd -","- C152 H176 Cl12 N4 O16 P8 Pd4 -","4","1","","Chen, Shuli; Ng, Joseph Kok-Peng; Pullarkat, Sumod A.; Liu, Fengli; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of New Diphosphines and Pyridylphosphines via a Kinetic Resolution Process Promoted and Controlled by a Chiral Palladacycle","Organometallics","2010","29","15","3374","","10.1021/om100358g","","","0.71073","MoKα","","0.0504","0.0444","","","0.0986","0.1014","","","","","","1.07","","","","has coordinates,has disorder","178554","2020-10-21","18:00:00",""
"4066218","10.1048","0.0003","11.6626","0.0004","24.207","0.0008","90","","90","","90","","2852.75","0.16","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 Cl N2 O4 P Pd -","- C29 H34 Cl N2 O4 P Pd -","- C116 H136 Cl4 N8 O16 P4 Pd4 -","4","1","","Chen, Shuli; Ng, Joseph Kok-Peng; Pullarkat, Sumod A.; Liu, Fengli; Li, Yongxin; Leung, Pak-Hing","Asymmetric Synthesis of New Diphosphines and Pyridylphosphines via a Kinetic Resolution Process Promoted and Controlled by a Chiral Palladacycle","Organometallics","2010","29","15","3374","","10.1021/om100358g","","","0.71073","MoKα","","0.0772","0.0451","","","0.0956","0.1411","","","","","","1.186","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066251","9.5211","0.0001","16.3606","0.0003","37.1799","0.0008","90","","90","","90","","5791.55","0.17","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Cr N2 P2 -","- C31 H39 Cr N2 P2 -","- C248 H312 Cr8 N16 P16 -","8","2","","Peitz, Stephan; Peulecke, Normen; Aluri, Bhaskar R.; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe; Al-Hazmi, Mohammed H.; Mosa, Fuad M.; Wöhl, Anina; Müller, Wolfgang","Metalation and Transmetalation Studies on Ph2PN(iPr)P(Ph)N(iPr)H for Selective Ethene Trimerization to 1-Hexene⊥","Organometallics","2010","29","21","5263","","10.1021/om100371f","","","0.71073","MoKα","","0.0386","0.0287","","","0.0568","0.0583","","","","","","0.854","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066294","9.1959","0.0006","15.6009","0.001","20.3479","0.0011","90","","90","","90","","2919.2","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 B F12 O P -","- C30 H30 B F12 O P -","- C120 H120 B4 F48 O4 P4 -","4","1","","Birkmann, Birgit; Voss, Tanja; Geier, Stephen J.; Ullrich, Matthias; Kehr, Gerald; Erker, Gerhard; Stephan, Douglas W.","Frustrated Lewis Pairs and Ring-Opening of THF, Dioxane, and Thioxane†","Organometallics","2010","29","21","5310","","10.1021/om1003896","","","0.71073","MoKα","","0.0357","0.0301","","","0.0705","0.073","","","","","","1.043","","","","has coordinates","178554","2020-10-21","18:00:00",""
"4066316","15.0965","0.0011","15.8269","0.0011","19.9659","0.0014","90","","90","","90","","4770.5","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H60 B Lu N8 -","- C49 H60 B Lu N8 -","- C196 H240 B4 Lu4 N32 -","4","1","","Saliu, Kuburat O.; Cheng, Jianhua; McDonald, Robert; Ferguson, Michael J.; Takats, Josef","Reactions of Scorpionate-Anchored Yttrium and Lutetium Dialkyls with Terminal Alkynes: From Bimetallic Complexes with Bridging Enynediyl Ligands to Monomeric Terminal Dialkynyl Complexes†","Organometallics","2010","29","21","4950","","10.1021/om100393w","","","0.71073","MoKα","","0.0275","0.0238","","","0.0577","0.0596","","","","","","1.089","","","","has coordinates,has disorder","178555","2020-10-21","18:00:00",""
"4066323","11.4437","0.0002","16.1666","0.0002","19.2126","0.0003","90","","90","","90","","3554.44","0.09","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 B2 F8 N4 Ni P2 -","- C30 H46 B2 F8 N4 Ni P2 -","- C120 H184 B8 F32 N16 Ni4 P8 -","4","1","","Wiedner, Eric S.; Yang, Jenny Y.; Dougherty, William G.; Kassel, W. Scott; Bullock, R. Morris; DuBois, M. Rakowski; DuBois, Daniel L.","Comparison of Cobalt and Nickel Complexes with Sterically Demanding Cyclic Diphosphine Ligands: Electrocatalytic H2Production by [Co(PtBu2NPh2)(CH3CN)3](BF4)2†","Organometallics","2010","29","21","5390","","10.1021/om100395r","","","0.71073","MoKα","","0.0558","0.0405","","","0.0894","0.0958","","","","","","1.01","","","","has coordinates,has disorder","178555","2020-10-21","18:00:00",""
"4066336","12.8067","0.0003","16.407","0.0005","17.0077","0.0004","90","","90","","90","","3573.65","0.16","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H40 Fe N O2 P3 -","- C39 H40 Fe N O2 P3 -","- C156 H160 Fe4 N4 O8 P12 -","4","1","","Limburg, Carolin; Lönnecke, Peter; Gómez-Ruiz, Santiago; Hey-Hawkins, Evamarie","Synthesis of Racemic Aminoalkylferrocenyldichlorophosphanes and -dialkylphosphonites and Their Conversion to Primary Phosphanes†","Organometallics","2010","29","21","5427","","10.1021/om1004012","","","0.71073","MoKα","","0.0566","0.0336","","","0.0475","0.05","","","","","","0.788","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066350","9.8836","0.0002","13.5588","0.0003","19.9952","0.0005","90","","90","","90","","2679.55","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H43 Rh Si3 -","- C22 H43 Rh Si3 -","- C88 H172 Rh4 Si12 -","4","1","","Esqueda, Ana Cristina; Conejero, Salvador; Maya, Celia; Carmona, Ernesto","Synthesis of Rhodium Complexes with Bulky Substituted Cyclopentadienyl Ligands. H/D Exchange Reactions and Silane Activation†","Organometallics","2010","29","21","5481","","10.1021/om100412q","","","0.71073","MoKα","","0.0285","0.0254","","","0.0635","0.0647","","","","","","1.053","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066361","11.6528","0.0002","11.7581","0.0002","12.1589","0.0002","90","","90","","90","","1665.95","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","jdew1","jdew1","","- C17 H26 O2 W -","- C17 H26 O2 W -","- C68 H104 O8 W4 -","4","1","","Egbert, Jonathan D.; Heinekey, D. Michael","Dihydrogen Complexes of the Chromium Group: Synthesis and Characterization of (Arene)M(CO)2(H2) Complexes","Organometallics","2010","29","15","3387","","10.1021/om100416w","","","0.71073","MoKα","","0.0364","0.0273","","","0.0397","0.0416","","","","","","0.983","","","","has coordinates","178555","2020-10-21","18:00:00",""
"4066418","14.979","0.002","15.612","0.003","17.1","0.003","90","","90","","90","","3998.9","1.2","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 Au B Cl2 F4 N4 -","- C36 H52 Au B Cl2 F4 N4 -","- C144 H208 Au4 B4 Cl8 F16 N16 -","4","1","","Gaillard, Sylvain; Nun, Pierrick; Slawin, Alexandra M. Z.; Nolan, Steven P.","Expeditious Synthesis of [Au(NHC)(L)]+(NHC = N-Heterocyclic Carbene; L = Phosphine or NHC) Complexes†","Organometallics","2010","29","21","5402","","10.1021/om100456b","","","0.71073","MoKα","","0.0417","0.0401","","","0.0902","0.0917","","","","","","1.067","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066419","13.956","0.002","16.189","0.003","17.169","0.003","90","","90","","90","","3879.1","1.1","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 Au Cl4 N4 -","- C36 H51 Au Cl4 N4 -","- C144 H204 Au4 Cl16 N16 -","4","1","","Gaillard, Sylvain; Nun, Pierrick; Slawin, Alexandra M. Z.; Nolan, Steven P.","Expeditious Synthesis of [Au(NHC)(L)]+(NHC = N-Heterocyclic Carbene; L = Phosphine or NHC) Complexes†","Organometallics","2010","29","21","5402","","10.1021/om100456b","","","0.71073","MoKα","","0.0294","0.0277","","","0.0561","0.0575","","","","","","0.799","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066420","15.0727","0.0013","15.7488","0.0013","17.795","0.0015","90","","90","","90","","4224.1","0.6","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 Au Cl3 F6 N4 P -","- C36 H51 Au Cl3 F6 N4 P -","- C144 H204 Au4 Cl12 F24 N16 P4 -","4","1","","Gaillard, Sylvain; Nun, Pierrick; Slawin, Alexandra M. Z.; Nolan, Steven P.","Expeditious Synthesis of [Au(NHC)(L)]+(NHC = N-Heterocyclic Carbene; L = Phosphine or NHC) Complexes†","Organometallics","2010","29","21","5402","","10.1021/om100456b","","","0.71073","MoKα","","0.0366","0.0335","","","0.0894","0.1061","","","","","","1.165","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066452","9.2952","0.0002","15.7977","0.0002","24.6944","0.0004","90","","90","","90","","3626.19","0.11","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 Cl2 N5 P2 Pt S3 -","- C34 H35 Cl2 N5 P2 Pt S3 -","- C136 H140 Cl8 N20 P8 Pt4 S12 -","4","1","","Zhang, Shuanming; Pattacini, Roberto; Braunstein, Pierre","Reactions of a Phosphinoimino-thiazoline-Based Metalloligand with Organic and Inorganic Electrophiles and Metal-Induced Ligand Rearrangements","Organometallics","2010","29","24","6660","","10.1021/om100466n","","x-ray","0.71073","MoKα","","0.0433","0.0363","","","0.0858","0.0892","","","","","","1.018","","","","has coordinates,has disorder","178556","2020-10-21","18:00:00",""
"4066474","7.9383","0.0001","10.553","0.0002","30.5205","0.0006","90","","90","","90","","2556.79","0.08","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H15 Co2 O7 P -","- C25 H15 Co2 O7 P -","- C100 H60 Co8 O28 P4 -","4","1","","Ungvári, Neszta; Fördős, Eszter; Balogh, János; Kégl, Tamás; Párkányi, László; Ungváry, Ferenc","Triphenylphosphane-Modified Cobalt Catalysts for the Selective Carbonylation of Ethyl Diazoacetate","Organometallics","2010","29","17","3837","","10.1021/om100480v","","","0.71073","MoKα","","0.0484","0.0455","","","0.1159","0.1189","","","","","","1.006","","","","has coordinates","178556","2020-10-21","18:00:00",""
"4066491","14.0289","0.0008","14.5112","0.0008","14.9869","0.0008","90","","90","","90","","3051","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H51 O2 P -","- C32 H51 O2 P -","- C128 H204 O8 P4 -","4","1","","Hsu, Yu-Lin; Liang, Lan-Chang","Alkali Metal Complexes of atert-Butylphosphine-Bridged Biphenolate Ligand","Organometallics","2010","29","23","6201","","10.1021/om100495e","","","0.71073","MoKα","","0.1112","0.0543","","","0.1046","0.1278","","","","","","0.921","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4066527","11.7521","0.0003","13.481","0.0003","18.0259","0.0004","90","","90","","90","","2855.84","0.12","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Cl N2 P Pd -","- C31 H32 Cl N2 P Pd -","- C124 H128 Cl4 N8 P4 Pd4 -","4","1","","Yuan, Mingjun; Pullarkat, Sumod A.; Li, Yongxin; Lee, Zhi-Yi; Leung, Pak-Hing","Novel Synthesis of Chiral 1,3-Diphosphines via Palladium Template Promoted Hydrophosphination and Functional Group Transformation Reactions","Organometallics","2010","29","16","3582","","10.1021/om100505w","","","0.71073","MoKα","","0.0445","0.0323","","","0.0728","0.0953","","","","","","1.113","","","","has coordinates","178557","2020-10-21","18:00:00",""
"4066548","8.649","0.0003","17.875","0.0005","25.3892","0.0008","90","","90","","90","","3925.2","0.2","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H47 B2 Dy N2 Si2 -","- C41 H47 B2 Dy N2 Si2 -","- C164 H188 B8 Dy4 N8 Si8 -","4","1","","Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Synthesis and Structural Features of Boratabenzene Rare-Earth Metal Alkyl Complexes","Organometallics","2010","29","17","3722","","10.1021/om1005116","","","0.71073","MoKα","","0.0222","0.0216","","","0.0544","0.0547","","","","","","1.128","","","","has coordinates,has disorder","178557","2020-10-21","18:00:00",""
"4066549","8.6296","0.0006","17.7256","0.0012","25.2551","0.0018","90","","90","","90","","3863.1","0.5","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H47 B2 Lu N2 Si2 -","- C41 H47 B2 Lu N2 Si2 -","- C164 H188 B8 Lu4 N8 Si8 -","4","1","","Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Synthesis and Structural Features of Boratabenzene Rare-Earth Metal Alkyl Complexes","Organometallics","2010","29","17","3722","","10.1021/om1005116","","","0.71073","MoKα","","0.023","0.0225","","","0.0589","0.0592","","","","","","1.059","","","","has coordinates,has disorder","178557","2020-10-21","18:00:00",""
"4066598","4.5852","0.0003","14.8783","0.0011","16.8496","0.0012","90","","90","","90","","1149.48","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O2 Pd -","- C12 H14 N2 O2 Pd -","- C48 H56 N8 O8 Pd4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Abellán-López, Antonio; Bautista, Delia","Reactivity ofortho-β-Enaminone-phenyl Palladium Complexes. Insertion of CO into the Pd−C Bond to Give the First Acyl C,N,O-Pincer Complexes. Sequential Insertion of Dimethylacetylenedicarboxylate into the Enaminone C−H Bond and of Isocyanide into the Pd−C Bond. A New Photooxigenation/Cyclization Process†","Organometallics","2010","29","21","5693","","10.1021/om1005403","","","0.71073","MoKα","","0.0393","0.0371","","","0.0852","0.0862","","","","","","1.129","","","","has coordinates","178557","2020-10-21","18:00:00",""
"4066615","8.6649","0.0001","12.3061","0.0002","15.6164","0.0001","90","","90","","90","","1665.19","0.03","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","in manuscript 2c","","","- C14 H20 Au Cl3 N2 -","- C14 H20 Au Cl3 N2 -","- C56 H80 Au4 Cl12 N8 -","4","1","","Pažický, Marek; Loos, Annette; Ferreira, Maria João; Serra, Daniel; Vinokurov, Nikolai; Rominger, Frank; Jäkel, Christoph; Hashmi, A. Stephen K.; Limbach, Michael","Synthesis, Reactivity, and Electrochemical Studies of Gold(I) and Gold(III) Complexes Supported by N-Heterocyclic Carbenes and Their Application in Catalysis","Organometallics","2010","29","20","4448","4458","10.1021/om1005484","","","0.71073","MoKα","","0.0241","0.0207","","","0.0442","0.0454","","","","","","1.062","","","","has coordinates","269227","2021-09-21","12:59:03",""
"4066642","10.174","0.003","13.461","0.004","17.46","0.006","90","","90","","90","","2391.2","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O6 Ru2 -","- C25 H19 N O6 Ru2 -","- C100 H76 N4 O24 Ru8 -","4","1","","Chen, Dafa; Zhang, Xi; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Pyridyl-Substituted Indenyl Ruthenium Complexes: Synthesis, Structures, and Reactivities","Organometallics","2010","29","15","3418","","10.1021/om100556y","","","0.7107","MoKα","","0.0256","0.0231","","","0.046","0.0467","","","","","","1.029","","","","has coordinates","178558","2020-10-21","18:00:00",""
"4066664","12.2658","0.0003","12.3522","0.0003","24.328","0.0007","90","","90","","90","","3685.93","0.17","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 B F12 P -","- C42 H30 B F12 P -","- C168 H120 B4 F48 P4 -","4","1","","Ullrich, Matthias; Lough, Alan J.; Stephan, Douglas W.","Dihydrogen Activation by B(p-C6F4H)3and Phosphines","Organometallics","2010","29","16","3647","","10.1021/om100563m","","","0.71073","MoKα","","0.0614","0.0416","","","0.072","0.0763","","","","","","1.241","","","","has coordinates","178558","2020-10-21","18:00:00",""
"4066669","7.5481","0.0004","11.1754","0.0007","12.3578","0.0005","90","","90","","90","","1042.42","0.1","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br N O -","- C10 H12 Br N O -","- C40 H48 Br4 N4 O4 -","4","1","","Eloi, Antoine; Rose-Munch, Françoise; Rose, Eric; Pille, Ariane; Lesot, Philippe; Herson, Patrick","Cationic Planar Chiral (η6-Arene)Mn(CO)3+Complexes: Resolution, NMR Study in Chiral-Oriented Solvents, and Applications to the Enantioselective Synthesis of 4-Substituted Cyclohexenones and (η6-Phosphinoarene)Mn(CO)3+Complexes","Organometallics","2010","29","17","3876","","10.1021/om100564v","","","0.71073","MoKα","","0.0512","0.0377","","0.1002","0.0889","0.1002","","","","","","0.9119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4066690","10.4856","0.0004","14.0928","0.0005","20.2195","0.0007","90","","90","","90","","2987.87","0.19","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Cu F3 N2 O3 S -","- C28 H36 Cu F3 N2 O3 S -","- C112 H144 Cu4 F12 N8 O12 S4 -","4","1","","Lin, Bo-Lin; Kang, Peng; Stack, T Daniel P","Unexpected C(carbene)-X (X: I, Br, Cl) Reductive Elimination From N-Heterocyclic Carbene Copper Halide Complexes Under Oxidative Conditions.","Organometallics","2010","29","17","3683","3685","10.1021/om1005726","","","0.71073","MoKα","","0.0426","0.0333","","","0.0689","0.0721","","","","","","1.07","","","","has coordinates","178558","2020-10-21","18:00:00",""
"4066748","7.4109","0.0002","12.9909","0.0003","15.0675","0.0004","90","","90","","90","","1450.61","0.06","150","","150","","","","","","","","oxidation of TME cobalt carbonyl","6","P 21 21 21","P 2ac 2ab","19","TME Co Carbonyl oxidised","[Co(CO)3]TME[Co(CO)2]BF4","","- C11 H8 B Co2 F4 O5 -","- C11 H8 B Co2 F4 O5 -","- C44 H32 B4 Co8 F16 O20 -","4","1","","Aguirre-Etcheverry, Paulina; Ashley, Andrew E.; Balázs, Gábor; Green, Jennifer C.; Cowley, Andrew R.; Thompson, Amber L.; O’Hare, Dermot","Synthesis, Structure, and Ligand Exchange Reactions of Tetramethyleneethane Complexes of Cobalt","Organometallics","2010","29","22","5847","","10.1021/om100611p","","","0.71073","MoKα","","0.0321","0.0269","","0.0282","0.0246","0.0246","","","","","","1.0873","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4066778","7.5316","0.0002","14.2548","0.0005","15.2078","0.0004","90","","90","","90","","1632.73","0.08","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Fe O -","- C20 H26 Fe O -","- C80 H104 Fe4 O4 -","4","1","","Schaarschmidt, Dieter; Lang, Heinrich","Copper(I)-Mediated Synthesis of Ferrocenyl Alkyl Ethers†","Organometallics","2010","29","18","4196","","10.1021/om1006209","","","0.71073","MoKα","","0.0283","0.0245","","","0.0499","0.0504","","","","","","0.982","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066788","19.851","0.001","23.383","0.002","26.261","0.002","90","","90","","90","","12189.7","1.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C97 H177 Cl3 O26 Si16 Ti -","- C97 H177 Cl3 O26 Si16 Ti -","- C388 H708 Cl12 O104 Si64 Ti4 -","4","1","","Giovenzana, Tommaso; Guidotti, Matteo; Lucenti, Elena; Orbelli Biroli, Alessio; Sordelli, Laura; Sironi, Angelo; Ugo, Renato","Synthesis and Catalytic Activity of Titanium Silsesquioxane Frameworks as Models of Titanium Active Surface Sites of Controlled Nuclearity","Organometallics","2010","29","24","6687","","10.1021/om100636h","","","0.71069","MoKα","","0.0424","0.035","","","0.0899","0.0961","","","","","","1.07","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066791","8.6992","0.0002","12.0556","0.0003","19.1699","0.0005","90","","90","","90","","2010.43","0.09","120","2","120","2","","","","","","","Pepe","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 B10 N2 -","- C16 H26 B10 N2 -","- C64 H104 B40 N8 -","4","1","","Terrasson, Vincent; Planas, José Giner; Viñas, Clara; Teixidor, Francesc; Prim, Damien; Light, Mark E.; Hursthouse, Michael B.","closo-o-Carboranylmethylamine−Pyridine Associations: Synthesis, Characterization, and First Complexation Studies","Organometallics","2010","29","18","4130","","10.1021/om1006374","","","0.71073","MoKα","","0.0717","0.0537","","","0.133","0.1497","","","","","","1.135","","","","has coordinates","178559","2020-10-21","18:00:00",""
"4066817","13.0131","0.0014","16.1081","0.0017","25.1","0.003","90","","90","","90","","5261.4","1","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H76 N3 Nb O6 -","- C58 H76 N3 Nb O6 -","- C232 H304 N12 Nb4 O24 -","4","1","","Neshat, Abdollah; Schmidt, Joseph A. R.","Derivatization of Niobium Complexes Bearing Imido and Acetophenone Imine Ligands","Organometallics","2010","29","23","6219","","10.1021/om100657r","","","0.71073","MoKα","","0.1384","0.0589","","","0.1264","0.1749","","","","","","1.065","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066869","10.6871","0.0009","12.3212","0.001","19.86","0.003","90","","90","","90","","2615.1","0.5","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 F6 N2 P Ru S3 -","- C24 H25 F6 N2 P Ru S3 -","- C96 H100 F24 N8 P4 Ru4 S12 -","4","1","","Wong, Chun-Yuen; Lai, Lo-Ming; Chan, Siu-Chung; Tai, Lai-Hung","Photophysical and Theoretical Studies of Ruthenium(II)−Acetylide and −Cyanide Complexes with Aromatic Diimine and Trithiacyclononane","Organometallics","2010","29","23","6259","","10.1021/om1006837","","","0.71073","MoKα","","0.0215","0.0182","","","0.0324","0.0326","","","","","","1.089","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066899","9.362","0.001","10.198","0.001","18.283","0.001","90","","90","","90","","1745.5","0.3","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Cl N P -","- C19 H19 Cl N P -","- C76 H76 Cl4 N4 P4 -","4","1","","Cao, Thi-Phuong-Anh; Payet, Elina; Auffrant, Audrey; Le Goff, Xavier F.; Le Floch, Pascal","Facile Synthesis of Bifunctional Ligands using LiCH2PPh2═NPh Obtained from [PhNH−PPh3+][Br−]","Organometallics","2010","29","17","3991","","10.1021/om100695b","","","0.71069","MoKα","","0.078","0.0647","","","0.1909","0.2011","","","","","","1.107","","","","has coordinates","178560","2020-10-21","18:00:00",""
"4066921","9.2366","0.0006","11.6243","0.0007","26.1056","0.0017","90","","90","","90","","2802.9","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Mo N3 O2 P2 -","- C31 H29 Mo N3 O2 P2 -","- C124 H116 Mo4 N12 O8 P8 -","4","1","","Liu, Fu-Chen; Lin, Yu-Liang; Yang, Pei-Shan; Lee, Gene-Hsian; Peng, Shie-Ming","[3+2] Cycloadditions of Molybdenum(II) Azide Complexes with Nitriles and an Alkyne","Organometallics","2010","29","19","4282","","10.1021/om1007083","","","0.71073","MoKα","","0.0344","0.0319","","","0.0699","0.0708","","","","","","1.108","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4066938","8.4515","0.0005","14.4911","0.0009","14.7224","0.0009","90","","90","","90","","1803.07","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Cl N2 Rh -","- C20 H26 Cl N2 Rh -","- C80 H104 Cl4 N8 Rh4 -","4","1","","Magriz, Antonio; Gómez-Bujedo, Silvia; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Phthalazin-2-ylidenes As Cyclic Amino Aryl Carbene Ligands in Rhodium(I) and Iridium(I) Complexes","Organometallics","2010","29","22","5941","","10.1021/om100723b","","","0.71073","MoKα","","0.0272","0.0213","","","0.0473","0.0498","","","","","","1.112","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4066970","8.7544","0.0018","12.073","0.002","22.141","0.004","90","","90","","90","","2340.1","0.7","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Sp,Sc)-1","(Sp,Sc)-1","","- C27 H26 Fe N O2 P -","- C27 H26 Fe N O2 P -","- C108 H104 Fe4 N4 O8 P4 -","4","1","","Thiesen, Kurtis E.; Maitra, Kalyani; Olmstead, Marilyn M.; Attar, Saeed","Synthesis and Characterization of New, Chiral P−N Ligands and Their Use in Asymmetric Allylic Alkylation","Organometallics","2010","29","23","6334","","10.1021/om100741m","","","0.71073","MoKα","","0.0468","0.0339","","","0.0638","0.0681","","","","","","1.016","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4066971","9.1351","0.0003","13.2485","0.0004","22.6615","0.0007","90","","90","","90","","2742.64","0.15","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Sp,Sc)-2","(Sp,Sc)-2","","- C33 H30 Fe N O2 P -","- C33 H30 Fe N O2 P -","- C132 H120 Fe4 N4 O8 P4 -","4","1","","Thiesen, Kurtis E.; Maitra, Kalyani; Olmstead, Marilyn M.; Attar, Saeed","Synthesis and Characterization of New, Chiral P−N Ligands and Their Use in Asymmetric Allylic Alkylation","Organometallics","2010","29","23","6334","","10.1021/om100741m","","","0.71073","MoKα","","0.0256","0.0232","","","0.0544","0.0554","","","","","","1.034","","","","has coordinates","178561","2020-10-21","18:00:00",""
"4066972","8.4272","0.0003","12.4311","0.0005","23.6623","0.0009","90","","90","","90","","2478.85","0.16","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Sp,Sc)-3","(Sp,Sc)-3","","- C31 H28 Fe N P -","- C31 H28 Fe N P -","- C124 H112 Fe4 N4 P4 -","4","1","","Thiesen, Kurtis E.; Maitra, Kalyani; Olmstead, Marilyn M.; Attar, Saeed","Synthesis and Characterization of New, Chiral P−N Ligands and Their Use in Asymmetric Allylic Alkylation","Organometallics","2010","29","23","6334","","10.1021/om100741m","","","0.71073","MoKα","","0.0266","0.0241","","","0.0591","0.0603","","","","","","1.036","","","","has coordinates,has disorder","178561","2020-10-21","18:00:00",""
"4066992","10.479","0.0004","15.625","0.0007","39.8161","0.0016","90","","90","","90","","6519.3","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H64 Br2 N4 O16 Pd -","- C66 H64 Br2 N4 O16 Pd -","- C264 H256 Br8 N16 O64 Pd4 -","4","1","","Yang, Chien-Chan; Lin, Pei-Syuan; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsian; Peng, Shie-Ming","Glucopyranoside-Incorporated N-Heterocyclic Carbene Complexes of Silver(I) and Palladium(II): Efficient Water-Soluble Suzuki−Miyaura Coupling Palladium(II) Catalysts","Organometallics","2010","29","22","5959","","10.1021/om100751r","","","0.71073","MoKα","","0.0829","0.0661","","","0.126","0.1323","","","","","","1.125","","","","has coordinates,has disorder","178561","2020-10-21","18:00:00",""
"4067034","11.4838","0.0001","18.012","0.0002","18.1146","0.0002","90","","90","","90","","3746.94","0.07","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H46 Ir N2 O5 P2 -","- C39 H45 Ir N2 O5 P2 -","- C156 H180 Ir4 N8 O20 P8 -","4","1","","Liniger, Marc; Gschwend, Björn; Neuburger, Markus; Schaffner, Silvia; Pfaltz, Andreas","Unprecedented Reactivity of Iridium(I) Secondary Phosphine Oxide Complexes: Formation of P-Coordinated Phosphinate Complexes by P−Aryl Bond Cleavage","Organometallics","2010","29","22","5953","","10.1021/om1007874","","","0.71073","MoKα","","0.0218","0.0182","","0.0216","0.019","0.0186","","","","","","1.0903","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067039","7.5353","0.0002","7.8131","0.0002","23.437","0.001","90","","90","","90","","1379.83","0.08","173","","173","","","","","","","","LOC ETH Zurich","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F N O -","- C17 H16 F N O -","- C68 H64 F4 N4 O4 -","4","1","","Paul, Susann; Schweizer, W. Bernd; Ebert, Marc-Olivier; Gilmour, Ryan","A Novel Fluorinated Gold(I) N-Heterocyclic Carbene Complex: Exploiting Fluorine Stereoelectronic Effects To Control Molecular Topology","Organometallics","2010","29","20","4424","","10.1021/om100789n","","","0.71073","MoKα","","0.0466","0.0388","","","0.1131","0.1233","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067041","9.6676","0.0003","20.1778","0.0005","27.1375","0.001","90","","90","","90","","5293.7","0.3","100","","100","","","","","","","","LOC ETH Zurich","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H52 Ag2 Cl2 F2 N6 -","- C53 H52 Ag2 Cl2 F2 N6 -","- C212 H208 Ag8 Cl8 F8 N24 -","4","1","","Paul, Susann; Schweizer, W. Bernd; Ebert, Marc-Olivier; Gilmour, Ryan","A Novel Fluorinated Gold(I) N-Heterocyclic Carbene Complex: Exploiting Fluorine Stereoelectronic Effects To Control Molecular Topology","Organometallics","2010","29","20","4424","","10.1021/om100789n","","","0.71073","MoKα","","0.0868","0.0694","","","0.1728","0.1823","","","","","","1.199","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067042","9.8352","0.0002","20.1882","0.0004","27.0406","0.0006","90","","90","","90","","5369.05","0.19","173","","173","","","","","","","","LOC ETH Zurich","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Au Cl F N3 -","- C24 H20 Au Cl F N3 -","- C192 H160 Au8 Cl8 F8 N24 -","8","2","","Paul, Susann; Schweizer, W. Bernd; Ebert, Marc-Olivier; Gilmour, Ryan","A Novel Fluorinated Gold(I) N-Heterocyclic Carbene Complex: Exploiting Fluorine Stereoelectronic Effects To Control Molecular Topology","Organometallics","2010","29","20","4424","","10.1021/om100789n","","","0.71073","MoKα","","0.0936","0.078","","","0.2182","0.225","","","","","","1.518","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067063","9.6224","0.0003","15.5833","0.0005","21.3048","0.0007","90","","90","","90","","3194.63","0.18","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Br2 N4 Pd2 S2 -","- C32 H30 Br2 N4 Pd2 S2 -","- C128 H120 Br8 N16 Pd8 S8 -","4","1","","Yuan, Dan; Huynh, Han Vinh","Dinuclear and Tetranuclear Palladium(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand and Their Activities toward Suzuki−Miyaura Coupling","Organometallics","2010","29","22","6020","","10.1021/om1008023","","","0.71073","MoKα","","0.0376","0.0322","","","0.0621","0.0636","","","","","","1","","","","has coordinates,has disorder","178505","2020-10-21","18:00:00",""
"4067099","8.0597","0.0004","11.2942","0.0005","15.5563","0.0007","90","","90","","90","","1416.06","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-4, (1231tt)","(R)-(2-Bromo-phenyl)-ferrocenyl-methanol","","- C17 H15 Br Fe O -","- C17 H15 Br Fe O -","- C68 H60 Br4 Fe4 O4 -","4","1","","Lotz, Matthias; Schuecker, Raffael; Mereiter, Kurt; Knochel, Paul","Synthesis of Exclusively Centrostereogenic 1,3-Bidentate Ferrocenyldiphosphane Ligands and Their Use in Enantioselective Hydrogenations","Organometallics","2010","29","23","6503","","10.1021/om100830m","","","0.71073","MoKα","","0.0226","0.0219","","","0.0563","0.0566","","","","","","1.007","","","","has coordinates","178505","2020-10-21","18:00:00",""
"4067128","7.4296","0.0002","15.3027","0.0005","17.9529","0.0006","90","","90","","90","","2041.12","0.11","173","2","173","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Fe N O2 P -","- C23 H24 Fe N O2 P -","- C92 H96 Fe4 N4 O8 P4 -","4","1","","Yu, Insun; Wallis, Christopher J.; Patrick, Brian O.; Diaconescu, Paula L.; Mehrkhodavandi, Parisa","Phosphine-Tethered Carbene Ligands: Template Synthesis and Reactivity of Cyclic and Acyclic Functionalized Carbenes","Organometallics","2010","29","22","6065","","10.1021/om100841j","","","0.71073","MoKα","","0.0539","0.0448","","","0.095","0.0979","","","","","","1.147","","","","has coordinates,has disorder","178562","2020-10-21","18:00:00",""
"4067156","14.0039","0.0004","15.3589","0.0004","17.6619","0.0005","90","","90","","90","","3798.8","0.18","173","1","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H54 I3 Li N4 O2 Zn2 -","- C24 H54 I3 Li N4 O2 Zn2 -","- C96 H216 I12 Li4 N16 O8 Zn8 -","4","1","","Schmidt, Sarah; Schulz, Stephan; Bläser, Dieter; Boese, Roland; Bolte, Michael","Synthesis and Structural Characterization of New Zinc Amidinate Complexes","Organometallics","2010","29","22","6097","","10.1021/om1008549","","","0.71073","MoKα","","0.0466","0.0303","","","0.0592","0.0642","","","","","","1.02","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067179","9.0865","0.0003","14.6621","0.0005","17.8517","0.0006","90","","90","","90","","2378.33","0.14","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 Cl N2 Ti -","- C23 H43 Cl N2 Ti -","- C92 H172 Cl4 N8 Ti4 -","4","1","","Trunkely, Emily F.; Epshteyn, Albert; Zavalij, Peter Y.; Sita, Lawrence R.","Synthesis, Structural Characterization, and Preliminary Reactivity Profile of a Series of Monocyclopentadienyl, Monoacetamidinate Titanium(III) Alkyl Complexes Bearing β-Hydrogens","Organometallics","2010","29","23","6587","","10.1021/om100877d","","","0.71073","MoKα","","0.0212","0.0207","","","0.0493","0.0495","","","","","","1","","","","has coordinates","178562","2020-10-21","18:00:00",""
"4067187","8.8414","0.0004","13.6132","0.0005","18.7005","0.0008","90","","90","","90","","2250.79","0.16","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H32 Cl4 Ni P2 Si -","- C14 H32 Cl4 Ni P2 Si -","- C56 H128 Cl16 Ni4 P8 Si4 -","4","1","","Smith, Erin E.; Du, Guodong; Fanwick, Phillip E.; Abu-Omar, Mahdi M.","Dehydrocoupling of Organosilanes with a Dinuclear Nickel Hydride Catalyst and Isolation of a Nickel Silyl Complex","Organometallics","2010","29","23","6527","","10.1021/om100887v","","","0.71073","MO-Kα","","0.046","0.033","","","0.066","0.07","","","","","","1.007","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4067194","7.5376","0.0008","12.8337","0.0013","17.2964","0.0018","90","","90","","90","","1673.2","0.3","123.1","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Fe Si2 -","- C16 H24 Fe Si2 -","- C64 H96 Fe4 Si8 -","4","1","","Sunada, Yusuke; Imaoka, Tsuyoshi; Nagashima, Hideo","Half-Sandwich (η6-Arene)iron(II) Dinitrogen Complexes Bearing a Disilaferracycle Skeleton as a Precursor for Double Silylation of Ethylene and Alkynes","Organometallics","2010","29","23","6157","","10.1021/om100889w","","","0.7107","MoKα","","","0.0252","","","","0.0689","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067234","8.8547","0.0003","9.4221","0.0003","35.038","0.001","90","","90","","90","","2923.22","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Cl N7 O3 Ru -","- C31 H32 Cl N7 O3 Ru -","- C124 H128 Cl4 N28 O12 Ru4 -","4","1","","Ghattas, Wadih; Müller-Bunz, Helge; Albrecht, Martin","[Ru(bpy)3]2+Analogues Containing an N-Heterocyclic Carbene Ligand","Organometallics","2010","29","24","6782","","10.1021/om100925j","","","1.54184","CuKα","","0.0401","0.0389","","","0.0973","0.0978","","","","","","1.087","","","","has coordinates","178563","2020-10-21","18:00:00",""
"4067236","9.3274","0.0006","14.2183","0.0009","27.2235","0.0014","90","","90","","90","","3610.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 I Ir O4 P2 -","- C42 H42 I Ir O4 P2 -","- C168 H168 I4 Ir4 O16 P8 -","4","1","","Núñez-Rico, José L.; Fernández-Pérez, Héctor; Benet-Buchholz, J.; Vidal-Ferran, Anton","Asymmetric Hydrogenation of Heteroaromatic Compounds Mediated by Iridium−(P-OP) Complexes","Organometallics","2010","29","24","6627","","10.1021/om100955t","","","0.71073","MoKα","","0.0314","0.0272","","","0.0598","0.0674","","","","","","1.09","","","","has coordinates","178563","2020-10-21","18:00:00",""
"4067301","7.8652","0.0011","13.455","0.002","14.318","0.002","90","","90","","90","","1515.2","0.4","180","","180","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Mo N O3 -","- C15 H19 Mo N O3 -","- C60 H76 Mo4 N4 O12 -","4","1","","Lorber, Christian; Vendier, Laure","Imido−Titanium/Molybdenum Heterobimetallic Systems. Switching from η6-Arene to Fischer-Type Aminocarbene Complexes by Tuning Reactivity Conditions","Organometallics","2010","29","5","1127","","10.1021/om900825a","","","0.71073","MoKα","","0.051","0.0348","","","0.0577","0.0635","","","","","","1.027","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067306","9.2068","0.0009","11.1401","0.0011","11.8643","0.0011","90","","90","","90","","1216.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Cr N2 O4 -","- C11 H10 Cr N2 O4 -","- C44 H40 Cr4 N8 O16 -","4","1","","Tian, Xiaohui; Song, Li; Yuan, Yizhong; Lin, Jiaping","Two New Receptors for Carboxylate Anions with an IR-Active Reporting Group","Organometallics","2010","29","3","509","","10.1021/om9008263","","","0.71073","MoKα","","0.0354","0.0325","","","0.0799","0.0811","","","","","","0.987","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067307","8.6173","0.0002","21.5832","0.0006","21.7076","0.0006","90","","90","","90","","4037.37","0.18","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Cl N O6 P2 Pd -","- C44 H46 Cl N O6 P2 Pd -","- C176 H184 Cl4 N4 O24 P8 Pd4 -","4","1","","Huang, Yinhua; Pullarkat, Sumod A.; Yuan, Mingjun; Ding, Yi; Li, Yongxin; Leung, Pak-Hing","Palladium Template Promoted Asymmetric Synthesis of 1,2-Diphosphines by Hydrophosphination of Functionalized Allenes","Organometallics","2010","29","3","536","","10.1021/om900829t","","","0.71073","MoKα","","0.0501","0.0366","","","0.0901","0.1151","","","","","","1.15","","","","has coordinates,has disorder","178564","2020-10-21","18:00:00",""
"4067308","11.9241","0.0002","15.8526","0.0003","21.0733","0.0004","90","","90","","90","","3983.44","0.13","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H44 Cl N O5 P2 Pd -","- C43 H44 Cl N O5 P2 Pd -","- C172 H176 Cl4 N4 O20 P8 Pd4 -","4","1","","Huang, Yinhua; Pullarkat, Sumod A.; Yuan, Mingjun; Ding, Yi; Li, Yongxin; Leung, Pak-Hing","Palladium Template Promoted Asymmetric Synthesis of 1,2-Diphosphines by Hydrophosphination of Functionalized Allenes","Organometallics","2010","29","3","536","","10.1021/om900829t","","","0.71073","MoKα","","0.0378","0.0306","","","0.09","0.1112","","","","","","1.146","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067309","10.9534","0.0008","13.6798","0.001","41.156","0.003","90","","90","","90","","6166.8","0.8","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30.5 H30.5 Cl3.5 O2 P2 Pd -","- C30.5 H30.5 Cl3.5 O2 P2 Pd -","- C244 H244 Cl28 O16 P16 Pd8 -","8","2","","Huang, Yinhua; Pullarkat, Sumod A.; Yuan, Mingjun; Ding, Yi; Li, Yongxin; Leung, Pak-Hing","Palladium Template Promoted Asymmetric Synthesis of 1,2-Diphosphines by Hydrophosphination of Functionalized Allenes","Organometallics","2010","29","3","536","","10.1021/om900829t","","","0.71073","MoKα","","0.0856","0.0748","","","0.1671","0.1768","","","","","","1.236","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067324","11.6079","0.0009","15.776","0.0012","42.516","0.003","90","","90","","90","","7785.8","1","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 N4 O2 Zr -","- C42 H52 N4 O2 Zr -","- C336 H416 N32 O16 Zr8 -","8","2","","El-Zoghbi, Ibrahim; Latreche, Saïda; Schaper, Frank","Zirconium Complexes of Symmetric and of Chiral Diketiminate Ligands: Synthesis, Crystal Structures, and Reactivities","Organometallics","2010","29","7","1551","","10.1021/om900852y","","","1.54178","CuKα","","0.0289","0.027","","","0.0716","0.0725","","","","","","1.026","","","","has coordinates,has disorder","178564","2020-10-21","18:00:00",""
"4067374","8.022","0.0001","8.178","0.0001","18.127","0.0003","90","","90","","90","","1189.2","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Fe O7 -","- C11 H10 Fe O7 -","- C44 H40 Fe4 O28 -","4","1","","Ali Khan, Monika; Mahon, Mary F.; Stewart, Alan J. W.; Lewis, Simon E.","Iron(0) Tricarbonyl Complexes of Microbially Derived Cyclohexadiene Ligands Containing Quaternary Stereocenters","Organometallics","2010","29","1","199","","10.1021/om9009069","","","0.71073","MoKα","","0.0349","0.0259","","","0.0588","0.0622","","","","","","1.108","","","","has coordinates","178564","2020-10-21","18:00:00",""
"4067383","10.394","0.002","14.923","0.004","19.5851","0.0009","90","","90","","90","","3037.8","1","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H50 Li2 N2 O2 Si2 -","- C25 H50 Li2 N2 O2 Si2 -","- C100 H200 Li8 N8 O8 Si8 -","4","1","","Sudupe, María; Cano, Jesús; Royo, Pascual; Mosquera, Marta E. G.; Frutos, Luis M.; Castaño, Obis","Regioselective Synthesis of 1,2- and 1,3-Di(silylamido)cyclopentadienyl Zirconium Complexes","Organometallics","2010","29","1","263","","10.1021/om9009087","","","0.71073","MoKα","","0.0915","0.0582","","","0.1333","0.1484","","","","","","1.022","","","","has coordinates,has disorder","178564","2020-10-21","18:00:00",""
"4067410","10.2703","0.0002","11.9683","0.0002","21.9","0.0006","90","","90","","90","","2691.9","0.1","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 O8 P W -","- C26 H27 O8 P W -","- C104 H108 O32 P4 W4 -","4","1","","Bode, Maren; Schnakenburg, Gregor; Daniels, Jörg; Marinetti, Angela; Streubel, Rainer","Partial Ring-Opening and Rearrangement Reactions of P,C-Cages to Yield Unusual Phosphinous Acids Stabilized by Pentacarbonyltungsten","Organometallics","2010","29","3","656","","10.1021/om9009334","","","0.71073","MoKα","","0.0286","0.0245","","","0.0568","0.058","","","","","","1.003","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067415","8.4432","0.0003","14.5666","0.0007","14.9388","0.0008","90","","90","","90","","1837.3","0.15","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Cl2 Zr -","- C22 H18 Cl2 Zr -","- C88 H72 Cl8 Zr4 -","4","1","","Greger, Ingo; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Functional Group Chemistry at the Group 4 Bent Metallocene Framework: [2+2] Cycloaddition of the Parent Bis(vinyl-Cp/vinyl-Ind)ZrCl2Systems","Organometallics","2010","29","4","860","","10.1021/om900939v","","","0.71073","MoKα","","0.1534","0.048","","","0.0864","0.1243","","","","","","1.13","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067439","8.791","0.0002","13.6179","0.0004","26.1332","0.0007","90","","90","","90","","3128.53","0.14","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28.5 H32 Cl4 N P Pd Ru -","- C28.5 H32 Cl4 N P Pd Ru -","- C114 H128 Cl16 N4 P4 Pd4 Ru4 -","4","1","","Luo, Ding; Li, Yongxin; Pullarkat, Sumod A.; Cockle, Kirsty E.; Leung, Pak-Hing","Syntheses of Bimetallic Zwitterionic Complexes Containing Stereogenic Bifunctionalized Phosphine through Stepwise Insertion and Hydration Reactions","Organometallics","2010","29","4","893","","10.1021/om900958p","","","0.71073","MoKα","","0.0823","0.0492","","","0.1158","0.137","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4067490","7.7917","0.0004","11.5324","0.0006","14.8374","0.0008","90","","90","","90","","1333.24","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Br Mo N2 O2 -","- C12 H13 Br Mo N2 O2 -","- C48 H52 Br4 Mo4 N8 O8 -","4","1","","Li, Shenyu; Kee, Choon Wee; Huang, Kuo-Wei; Hor, T. S. Andy; Zhao, Jin","Cyclopentadienyl Molybdenum(II/VI) N-Heterocyclic Carbene Complexes: Synthesis, Structure, and Reactivity under Oxidative Conditions","Organometallics","2010","29","8","1924","","10.1021/om900980a","","","0.71073","MoKα","","0.0212","0.0202","","","0.0476","0.0478","","","","","","1.015","","","","has coordinates","178565","2020-10-21","18:00:00",""
"4067597","13.755","0.003","16.069","0.003","18.452","0.003","90","","90","","90","","4078.4","1.3","123.1","","123.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H59 Cl2 N2 P Ru Se -","- C40 H59 Cl2 N2 P Ru Se -","- C160 H236 Cl8 N8 P4 Ru4 Se4 -","4","1","","Mutoh, Yuichiro; Kozono, Naoki; Araki, Miho; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Ruthenium Seleno- and Tellurocarbonyl Complexes: Selenium and Tellurium Atom Transfer to a Terminal Carbido Ligand","Organometallics","2010","29","3","519","","10.1021/om901029w","","","0.7107","MoKα","","","0.0455","","","","0.089","","","","","","0.878","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067598","13.7138","0.0019","16.058","0.002","18.424","0.003","90","","90","","90","","4057.3","1","123.1","","123.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H59 Cl2 N2 P Ru S -","- C40 H59 Cl2 N2 P Ru S -","- C160 H236 Cl8 N8 P4 Ru4 S4 -","4","1","","Mutoh, Yuichiro; Kozono, Naoki; Araki, Miho; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Ruthenium Seleno- and Tellurocarbonyl Complexes: Selenium and Tellurium Atom Transfer to a Terminal Carbido Ligand","Organometallics","2010","29","3","519","","10.1021/om901029w","","","0.7107","MoKα","","","0.044","","","","0.0901","","","","","","0.866","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4067640","11.85","0.003","16.464","0.004","22.984","0.005","90","","90","","90","","4484.1","1.9","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H72 Si11 -","- C26 H72 Si11 -","- C104 H288 Si44 -","4","1","","Iwamoto, Takeaki; Furiya, Yuichi; Kobayashi, Hideki; Isobe, Hiroyuki; Kira, Mitsuo","Synthesis and Facile Ring Expansion of Silylenecyclotetrasilane","Organometallics","2010","29","8","1869","","10.1021/om9010577","","","0.71073","MoKα","","0.0201","0.0192","","","0.0517","0.0524","","","","","","1.072","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4067675","7.8948","0.0003","11.6296","0.0005","22.1963","0.0009","90","","90","","90","","2037.92","0.14","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Cl N3 O6 Pd -","- C20 H16 Cl N3 O6 Pd -","- C80 H64 Cl4 N12 O24 Pd4 -","4","1","","Roiban, Gheorghe-Doru; Serrano, Elena; Soler, Tatiana; Contel, Maria; Grosu, Ion; Cativiela, Carlos; Urriolabeitia, Esteban P.","Ortho-Palladation of (Z)-2-Aryl-4-Arylidene-5(4H)-Oxazolones. Structure and Functionalization","Organometallics","2010","29","6","1428","","10.1021/om901068f","","","0.71073","MoKα","","0.0291","0.0233","","","0.0453","0.0464","","","","","","0.966","","","","has coordinates","178567","2020-10-21","18:00:00",""
"4067704","8.8361","0.0004","12.1482","0.0006","14.5361","0.0007","90","","90","","90","","1560.34","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 B9 Fe S -","- C10 H23 B9 Fe S -","- C40 H92 B36 Fe4 S4 -","4","1","","Kudinov, Alexander R.; Zanello, Piero; Herber, Rolfe H.; Loginov, Dmitry A.; Vinogradov, Mikhail M.; Vologzhanina, Anna V.; Starikova, Zoya A.; Corsini, Maddalena; Giorgi, Gianluca; Nowik, Israel","Ferracarborane Benzene Complexes [(η-9-L-7,8-C2B9H10)Fe(η-C6H6)]+(L = SMe2, NMe3): Synthesis, Reactivity, Electrochemistry, Mössbauer Effect Studies, and Bonding","Organometallics","2010","29","10","2260","","10.1021/om901085y","","","0.71073","MoKα","","0.0255","0.0235","","","0.0602","0.0612","","","","","","1.014","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067706","13.8588","0.0008","17.5889","0.001","21.1295","0.0012","90","","90","","90","","5150.5","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9.65 H35.95 B18 Cl2 Fe N0.65 S1.35 -","- C9.65 H35.95 B18 Cl2 Fe N0.65 S1.35 -","- C77.2 H287.6 B144 Cl16 Fe8 N5.2 S10.8 -","8","2","","Kudinov, Alexander R.; Zanello, Piero; Herber, Rolfe H.; Loginov, Dmitry A.; Vinogradov, Mikhail M.; Vologzhanina, Anna V.; Starikova, Zoya A.; Corsini, Maddalena; Giorgi, Gianluca; Nowik, Israel","Ferracarborane Benzene Complexes [(η-9-L-7,8-C2B9H10)Fe(η-C6H6)]+(L = SMe2, NMe3): Synthesis, Reactivity, Electrochemistry, Mössbauer Effect Studies, and Bonding","Organometallics","2010","29","10","2260","","10.1021/om901085y","","","0.71073","MoKα","","0.0388","0.0335","","","0.0762","0.0789","","","","","","0.997","","","","has coordinates,has disorder","178568","2020-10-21","18:00:00",""
"4067757","8.9984","0.0007","10.1229","0.0008","12.283","0.001","90","","90","","90","","1118.86","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 N2 O -","- C11 H20 N2 O -","- C44 H80 N8 O4 -","4","1","","Snead, David R.; Inagaki, Sebastien; Abboud, Khalil A.; Hong, Sukwon","Bis(2-alkylpyrrolidin-1-yl)methylidenes as Chiral Acyclic Diaminocarbene Ligands","Organometallics","2010","29","7","1729","","10.1021/om901112n","","","0.71073","MoKα","","0.0399","0.0321","","","0.0744","0.0763","","","","","","0.961","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067759","16.0636","0.0008","16.2605","0.0008","19.0326","0.0009","90","","90","","90","","4971.4","0.4","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 B Cl F4 N2 P2 Pd -","- C47 H50 B Cl F4.009 N2 P2 Pd -","- C188 H200 B4 Cl4 F16.036 N8 P8 Pd4 -","4","1","","Snead, David R.; Inagaki, Sebastien; Abboud, Khalil A.; Hong, Sukwon","Bis(2-alkylpyrrolidin-1-yl)methylidenes as Chiral Acyclic Diaminocarbene Ligands","Organometallics","2010","29","7","1729","","10.1021/om901112n","","","0.71073","MoKα","","0.0337","0.0311","","","0.0818","0.0828","","","","","","1.068","","","","has coordinates,has disorder","178568","2020-10-21","18:00:00",""
"4067762","9.5397","0.0012","12.2604","0.0016","19.335","0.002","90","","90","","90","","2261.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 Cl N2 Rh -","- C23 H40 Cl N2 Rh -","- C92 H160 Cl4 N8 Rh4 -","4","1","","Snead, David R.; Inagaki, Sebastien; Abboud, Khalil A.; Hong, Sukwon","Bis(2-alkylpyrrolidin-1-yl)methylidenes as Chiral Acyclic Diaminocarbene Ligands","Organometallics","2010","29","7","1729","","10.1021/om901112n","","","0.71073","MoKα","","0.0182","0.0174","","","0.0432","0.0435","","","","","","1.079","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067763","13.218","0.0002","15.644","0.0003","15.846","0.0004","90","","90","","90","","3276.67","0.12","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Cl2 N2 O3 P Pd -","- C30 H45 Cl2 N2 O3 P Pd -","- C120 H180 Cl8 N8 O12 P4 Pd4 -","4","1","","Diebolt, Olivier; Jurčík, Václav; Correa da Costa, Rosenildo; Braunstein, Pierre; Cavallo, Luigi; Nolan, Steven P.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed Phosphite/N-Heterocyclic Carbene Complexes: Synthesis, Characterization and Catalytic Studies","Organometallics","2010","29","6","1443","","10.1021/om9011196","","","0.71073","MoKα","","0.099","0.0487","","","0.1004","0.1218","","","","","","0.954","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067767","13.2065","0.0004","15.6023","0.0004","15.8212","0.0004","90","","90","","90","","3259.99","0.15","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 Cl2 N2 O3 P Pd -","- C30 H47 Cl2 N2 O3 P Pd -","- C120 H188 Cl8 N8 O12 P4 Pd4 -","4","1","","Diebolt, Olivier; Jurčík, Václav; Correa da Costa, Rosenildo; Braunstein, Pierre; Cavallo, Luigi; Nolan, Steven P.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed Phosphite/N-Heterocyclic Carbene Complexes: Synthesis, Characterization and Catalytic Studies","Organometallics","2010","29","6","1443","","10.1021/om9011196","","","0.71073","MoKα","","0.056","0.0513","","","0.1416","0.1462","","","","","","1.076","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067773","9.244","0.003","10.575","0.003","24.129","0.007","90","","90","","90","","2358.7","1.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N3 Ni O2 -","- C25 H31 N3 Ni O2 -","- C100 H124 N12 Ni4 O8 -","4","1","","Kieltsch, Iris; Dubinina, Galyna G.; Hamacher, Claudia; Kaiser, André; Torres-Nieto, Jorge; Hutchison, John M.; Klein, Axel; Budnikova, Yulia; Vicic, David A.","Magnitudes of Electron-Withdrawing Effects of the Trifluoromethyl Ligand in Organometallic Complexes of Copper and Nickel","Organometallics","2010","29","6","1451","","10.1021/om901122z","","","0.71075","MoKα","","0.0759","0.0593","","","0.1299","0.1373","","","","","","1.086","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067774","9.455","0.006","10.986","0.007","23.714","0.015","90","","90","","90","","2463","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 F3 N3 Ni O2 -","- C25 H28 F3 N3 Ni O2 -","- C100 H112 F12 N12 Ni4 O8 -","4","1","","Kieltsch, Iris; Dubinina, Galyna G.; Hamacher, Claudia; Kaiser, André; Torres-Nieto, Jorge; Hutchison, John M.; Klein, Axel; Budnikova, Yulia; Vicic, David A.","Magnitudes of Electron-Withdrawing Effects of the Trifluoromethyl Ligand in Organometallic Complexes of Copper and Nickel","Organometallics","2010","29","6","1451","","10.1021/om901122z","","","0.71075","MoKα","","0.1055","0.0646","","","0.1532","0.1731","","","","","","1.068","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067775","9.7899","0.0019","11.646","0.002","23.032","0.005","90","","90","","90","","2626","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N3 Ni O2 -","- C30 H33 N3 Ni O2 -","- C120 H132 N12 Ni4 O8 -","4","1","","Kieltsch, Iris; Dubinina, Galyna G.; Hamacher, Claudia; Kaiser, André; Torres-Nieto, Jorge; Hutchison, John M.; Klein, Axel; Budnikova, Yulia; Vicic, David A.","Magnitudes of Electron-Withdrawing Effects of the Trifluoromethyl Ligand in Organometallic Complexes of Copper and Nickel","Organometallics","2010","29","6","1451","","10.1021/om901122z","","","0.71075","MoKα","","0.0444","0.0397","","","0.0767","0.0781","","","","","","1.105","","","","has coordinates","178568","2020-10-21","18:00:00",""
"4067817","14.607","0.0009","15.8303","0.0009","18.8636","0.0011","90","","90","","90","","4361.9","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H51 Cl3 N4 Pt -","- C49 H51 Cl3 N4 Pt -","- C196 H204 Cl12 N16 Pt4 -","4","1","","Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes","Organometallics","2012","31","3","835","","10.1021/om200714z","","","0.71073","MoKα","","0.0348","0.0254","","","0.0577","0.0616","","","","","","1.035","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067819","14.769","0.003","16.384","0.003","18.93","0.004","90","","90","","90","","4580.6","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H59 I N4 Pt -","- C52 H59 I N4 Pt -","- C208 H236 I4 N16 Pt4 -","4","1","","Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes","Organometallics","2012","31","3","835","","10.1021/om200714z","","","0.71073","MoKα","","0.0674","0.0498","","","0.1003","0.1098","","","","","","1.047","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067820","6.3569","0.0006","22.374","0.002","24.541","0.003","90","","90","","90","","3490.4","0.6","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H47 F3 N4 O4 Pt S -","- C31 H47 F3 N4 O4 Pt S -","- C124 H188 F12 N16 O16 Pt4 S4 -","4","1","","Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes","Organometallics","2012","31","3","835","","10.1021/om200714z","","","0.71073","MoKα","","0.1035","0.0508","","","0.0987","0.1182","","","","","","1.002","","","","has coordinates,has disorder","178569","2020-10-21","18:00:00",""
"4067821","10.6347","0.0004","12.1232","0.0004","20.6502","0.0006","90","","90","","90","","2662.36","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl N3 O Pt -","- C31 H26 Cl N3 O Pt -","- C124 H104 Cl4 N12 O4 Pt4 -","4","1","","Hao, Xin-Qi; Xu, Yan-Xiao; Yang, Ming-Jun; Wang, Li; Niu, Jun-Long; Gong, Jun-Fang; Song, Mao-Ping","A Cationic NCN Pincer Platinum(II) Aquo Complex with a Bis(imidazolinyl)phenyl Ligand: Studies toward its Synthesis and Asymmetric Friedel‒Crafts Alkylation of Indoles with Nitroalkenes","Organometallics","2012","31","3","835","","10.1021/om200714z","","","0.71073","MoKα","","0.0452","0.0318","","","0.0355","0.0363","","","","","","1.014","","","","has coordinates","178569","2020-10-21","18:00:00",""
"4067931","11.6075","0.0009","11.6918","0.0009","21.7115","0.0017","90","","90","","90","","2946.5","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H54 B3 P3 Si -","- C19 H54 B3 P3 Si -","- C76 H216 B12 P12 Si4 -","4","1","","Cain, Matthew F.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Asymmetric Synthesis and Metal Complexes of aC3-Symmetric P-Stereogenic Triphosphine, (R)-MeSi(CH2PMe(t-Bu))3(MT-Siliphos)","Organometallics","2012","31","3","775","","10.1021/om200930k","","","0.71073","MoKα","","0.0391","0.0329","","","0.0756","0.0792","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4067933","14.4","0.005","14.632","0.005","15.237","0.005","90","","90","","90","","3210.4","1.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H47 Cl4 Cu2 P3 Si -","- C20 H47 Cl4 Cu2 P3 Si -","- C80 H188 Cl16 Cu8 P12 Si4 -","4","1","","Cain, Matthew F.; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Asymmetric Synthesis and Metal Complexes of aC3-Symmetric P-Stereogenic Triphosphine, (R)-MeSi(CH2PMe(t-Bu))3(MT-Siliphos)","Organometallics","2012","31","3","775","","10.1021/om200930k","","","0.71073","MoKα","","0.0411","0.0339","","","0.0723","0.0767","","","","","","1.019","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067959","13.3696","0.0016","13.9845","0.0017","25.723","0.003","90","","90","","90","","4809.4","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H74 N6 S2 Ta2 -","- C48 H74 N6 S2 Ta2 -","- C192 H296 N24 S8 Ta8 -","4","1","","Yonke, Brendan L.; Keane, Andrew J.; Zavalij, Peter Y.; Sita, Lawrence R.","Mononuclear Tantalum(IV, d1) Imido Complexes Supported by the Monocyclopentadienyl, Amidinate and Guanidinate Ligand Sets As Models to Explore Dinitrogen Fixation by “End-On-Bridged” Dinuclear {[Ta(IV, d1)]}2(μ-η1:η1-N2) Complexes","Organometallics","2012","31","1","345","","10.1021/om200961r","","","0.71073","MoKα","","0.0177","0.0168","","","0.0352","0.0355","","","","","","1","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4067996","12.6374","0.0003","14.7325","0.0004","22.2696","0.0006","90","","90","","90","","4146.17","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H57 F3 O P2 Pd -","- C46 H57 F3 O P2 Pd -","- C184 H228 F12 O4 P8 Pd4 -","4","1","","Bakhmutov, Vladimir I.; Bozoglian, Fernando; Gómez, Kerman; González, Gabriel; Grushin, Vladimir V.; Macgregor, Stuart A.; Martin, Eddy; Miloserdov, Fedor M.; Novikov, Maxim A.; Panetier, Julien A.; Romashov, Leonid V.","CF3‒Ph Reductive Elimination from [(Xantphos)Pd(CF3)(Ph)]","Organometallics","2012","31","4","1315","","10.1021/om200985g","","","0.71073","MoKα","","0.023","0.0221","","","0.0564","0.0569","","","","","","1.047","","","","has coordinates","178570","2020-10-21","18:00:00",""
"4068017","10.1705","0.0018","17.003","0.002","19.449","0.003","90","","90","","90","","3363.3","0.9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H58 F2 Th -","- C34 H58 F2 Th -","- C136 H232 F8 Th4 -","4","1","","Ren, Wenshan; Zi, Guofu; Walter, Marc D.","Synthesis, Structure, and Reactivity of a Thorium Metallocene Containing a 2,2′-Bipyridyl Ligand","Organometallics","2012","31","2","672","","10.1021/om201015f","","","0.71075","MoKα","","0.071","0.0687","","","0.1626","0.1649","","","","","","1.041","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068033","14.463","0.002","15.9234","0.0015","21.582","0.004","90","","90","","90","","4970.3","1.2","130","2","130","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","[{(dippe)Ni}2(η2-Cα,Cβ- bis-(4-methyl styryl)ketone)]","","- C47 H82 Ni2 O P4 -","- C47 H82 Ni2 O P4 -","- C188 H328 Ni8 O4 P16 -","4","1","","Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J.","Nickel-Catalyzed Alkylation and Transfer Hydrogenation of α,β-Unsaturated Enones with Methanol","Organometallics","2012","31","2","680","","10.1021/om2010222","","x-ray","0.71073","MoKα","","0.0686","0.0511","","","0.1245","0.1431","","","","","","1.021","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068070","6.929","0.0015","12.277","0.002","13.134","0.003","90","","90","","90","","1117.3","0.4","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Cl F3 Ti -","- C10.855 H10 Cl1.145 F3 Ti -","- C43.42 H40 Cl4.58 F12 Ti4 -","4","1","","Taw, Felicia L.; Clark, Aurora E.; Mueller, Alexander H.; Janicke, Michael T.; Cantat, Thibault; Scott, Brian L.; Hay, P. Jeffrey; Hughes, Russell P.; Kiplinger, Jaqueline L.","Titanium(IV) Trifluoromethyl Complexes: New Perspectives on Bonding from Organometallic Fluorocarbon Chemistry","Organometallics","2012","31","4","1484","","10.1021/om201055e","","","0.71073","MoKα","","0.0864","0.0612","","","0.1225","0.1299","","","","","","1.229","","","","has coordinates,has disorder","178506","2020-10-21","18:00:00",""
"4068094","7.4531","0.0006","17.8577","0.0005","26.03","0.0015","90","","90","","90","","3464.5","0.4","180.15","","180.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 B N2 O2 -","- C39 H47 B N2 O2 -","- C156 H188 B4 N8 O8 -","4","1","","Banerjee, Dipshikha; Besnard, Céline; Kündig, E. Peter","Chiral N-Heterocyclic Carbene Borane Complexes: Synthesis and Structural Analysis","Organometallics","2012","31","2","709","","10.1021/om201087n","","","1.5418","CuKα","","0.0446","0.0398","","","0.1129","0.1183","","","","","","0.91","","","","has coordinates","178506","2020-10-21","18:00:00",""
"4068101","11.7551","0.0013","18.556","0.002","21.673","0.003","90","","90","","90","","4727.5","1","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H74 N3 O Si2 Yb -","- C46 H66 N3 O Si2 Yb -","- C184 H264 N12 O4 Si8 Yb4 -","4","1","","Liu, Peng; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis of Dianionic β-Diketiminate Lanthanide Amides L′LnN(SiMe3)2(THF) by Deprotonation of the β-Diketiminate Ligand L (L = {[(2,6-iPr2C6H3)NC(CH3)]2CH}−) and the Transformation with [HNEt3][BPh4] to the Cationic Samarium Amide [LSmN(SiMe3)2][BPh4]","Organometallics","2012","31","3","1017","","10.1021/om2010904","","","0.71075","MoKα","","0.1089","0.0791","","","0.1483","0.1682","","","","","","1.106","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068102","11.7778","0.0008","18.5593","0.0012","21.6903","0.0015","90","","90","","90","","4741.2","0.6","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H74 N3 O Si2 Y -","- C46 H66 N3 O Si2 Y -","- C184 H264 N12 O4 Si8 Y4 -","4","1","","Liu, Peng; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis of Dianionic β-Diketiminate Lanthanide Amides L′LnN(SiMe3)2(THF) by Deprotonation of the β-Diketiminate Ligand L (L = {[(2,6-iPr2C6H3)NC(CH3)]2CH}−) and the Transformation with [HNEt3][BPh4] to the Cationic Samarium Amide [LSmN(SiMe3)2][BPh4]","Organometallics","2012","31","3","1017","","10.1021/om2010904","","","0.71075","MoKα","","0.0936","0.0732","","","0.1603","0.1713","","","","","","1.079","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068103","11.7938","0.0011","18.5139","0.0018","21.713","0.002","90","","90","","90","","4741","0.8","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H74 Gd N3 O Si2 -","- C46 H66 Gd N3 O Si2 -","- C184 H264 Gd4 N12 O4 Si8 -","4","1","","Liu, Peng; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis of Dianionic β-Diketiminate Lanthanide Amides L′LnN(SiMe3)2(THF) by Deprotonation of the β-Diketiminate Ligand L (L = {[(2,6-iPr2C6H3)NC(CH3)]2CH}−) and the Transformation with [HNEt3][BPh4] to the Cationic Samarium Amide [LSmN(SiMe3)2][BPh4]","Organometallics","2012","31","3","1017","","10.1021/om2010904","","","0.71075","MoKα","","0.0869","0.0745","","","0.1229","0.1303","","","","","","1.105","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068104","11.7896","0.0012","18.507","0.002","21.74","0.003","90","","90","","90","","4743.5","1","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H74 N3 O Si2 Sm -","- C46 H66 N3 O Si2 Sm -","- C184 H264 N12 O4 Si8 Sm4 -","4","1","","Liu, Peng; Zhang, Yong; Yao, Yingming; Shen, Qi","Synthesis of Dianionic β-Diketiminate Lanthanide Amides L′LnN(SiMe3)2(THF) by Deprotonation of the β-Diketiminate Ligand L (L = {[(2,6-iPr2C6H3)NC(CH3)]2CH}−) and the Transformation with [HNEt3][BPh4] to the Cationic Samarium Amide [LSmN(SiMe3)2][BPh4]","Organometallics","2012","31","3","1017","","10.1021/om2010904","","","0.71075","MoKα","","0.0542","0.0484","","","0.1076","0.1118","","","","","","1.084","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068120","9.9558","0.0005","16.3802","0.0007","16.7182","0.0008","90","","90","","90","","2726.4","0.2","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H37 Br N3 Rh -","- C29 H37 Br N3 Rh -","- C116 H148 Br4 N12 Rh4 -","4","1","","Keske, Eric C.; Zenkina, Olena V.; Wang, Ruiyao; Crudden, Cathleen M.","Synthesis and Structure of Silver and Rhodium 1,2,3-Triazol-5-ylidene Mesoionic Carbene Complexes","Organometallics","2012","31","1","456","","10.1021/om201104f","","","0.71073","MoKα","","0.055","0.047","","","0.1269","0.133","","","","","","1.076","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068124","10.9036","0.0003","14.6554","0.0004","25.5143","0.0006","90","","90","","90","","4077.1","0.18","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H53 Br Cl2 N O P Pd -","- C45 H52.99 Br Cl2.01 N O P Pd -","- C180 H211.96 Br4 Cl8.04 N4 O4 P4 Pd4 -","4","1","","Alsabeh, Pamela G.; McDonald, Robert; Stradiotto, Mark","Stoichiometric Reactivity Relevant to the Mor-DalPhos/Pd-Catalyzed Cross-Coupling of Ammonia and 1-Bromo-2-(phenylethynyl)benzene","Organometallics","2012","31","3","1049","","10.1021/om201122q","","","0.71073","MoKα","","0.0296","0.0282","","","0.0835","0.0849","","","","","","1.076","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068131","9.1056","0.0009","14.1077","0.0013","15.0556","0.0014","90","","90","","90","","1934","0.3","132","2","132","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Zr -","- C22 H28 Zr -","- C88 H112 Zr4 -","4","1","","Fu, Xiaoping; Yu, Shasha; Fan, Guoqin; Liu, Yuanhong; Li, Yuxue","Highly Efficient Synthesis ofcis-[3]Cumulenic Diols via Zirconocene-Mediated Coupling of 1,3-Butadiynes with Aldehydes","Organometallics","2012","31","2","531","","10.1021/om201125z","","","0.71073","MoKα","","0.0209","0.0195","","","0.0506","0.052","","","","","","1.077","","","","has coordinates,has disorder","178571","2020-10-21","18:00:00",""
"4068135","9.3219","0.0009","22.502","0.003","22.943","0.003","90","","90","","90","","4812.6","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27.5 H35 N O W -","- C27.5 H35 N O W -","- C220 H280 N8 O8 W8 -","8","2","","Baillie, Rhett A.; Tran, Tommy; Lalonde, Kathryn M.; Tsang, Jenkins Y. K.; Thibault, Michelle E.; Patrick, Brian O.; Legzdins, Peter","Factors Influencing the Outcomes of Intermolecular C‒H Activations of Hydrocarbons Initiated by CpW(NO)(CH2CMe3)(η3-allyl) Complexes (Cp = η5-C5Me5(Cp*), η5-C5Me4H (Cp′))","Organometallics","2012","31","3","1055","","10.1021/om201133r","","","0.71073","MoKα","","0.0818","0.0528","","","0.114","0.1309","","","","","","1.075","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4068173","10.8158","0.0007","17.263","0.0011","22.0491","0.0014","90","","90","","90","","4116.9","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H61 Cl6 N3 Pd -","- C37 H61 Cl6 N3 Pd -","- C148 H244 Cl24 N12 Pd4 -","4","1","","Spallek, Markus J.; Riedel, Dominic; Rominger, Frank; Hashmi, A. Stephen K.; Trapp, Oliver","Six-Membered, Chiral NHCs Derived from Camphor: Structure‒Reactivity Relationship in Asymmetric Oxindole Synthesis","Organometallics","2012","31","3","1127","","10.1021/om201166b","","","0.71073","MoKα","","0.0733","0.0525","","","0.1308","0.15","","","","","","1.071","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068185","13.254","0.001","14.1925","0.0011","14.9711","0.0012","90","","90","","90","","2816.2","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[PhB(3-C2F5Pz)3]AuC2H4","","","- C23 H15 Au B F15 N6 -","- C23 H15 Au B F15 N6 -","- C92 H60 Au4 B4 F60 N24 -","4","1","","Dias, H. V. Rasika; Wu, Jiang","Structurally Similar, Thermally Stable Copper(I), Silver(I), and Gold(I) Ethylene Complexes Supported by a Fluorinated Scorpionate","Organometallics","2012","31","4","1511","","10.1021/om201185v","","","0.71073","MoKα","","0.0479","0.0381","","","0.0863","0.0911","","","","","","1.069","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4068223","9.6164","0.0004","15.3033","0.0006","22.2044","0.0009","90","","90","","90","","3267.7","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H53 B N2 -","- C34 H53 B N2 -","- C136 H212 B4 N8 -","4","1","","Wang, Yuzhong; Abraham, Mariham Y.; Gilliard, Robert J.; Wei, Pingrong; Smith, Jared C.; Robinson, Gregory H.","From Anionic N-Heterocyclic Dicarbenes to Abnormal Carbene‒Borane Complexes: A Logical Synthetic Route","Organometallics","2012","31","3","791","","10.1021/om201259d","","","0.71073","MoKα","","0.0598","0.0519","","","0.1466","0.1546","","","","","","1.025","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068246","14.5281","0.0008","16.3834","0.0009","17.0149","0.0009","90","","90","","90","","4049.9","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","3.CHCl3, N-223-6, 832mp","","","- C32 H43 B Cl3 Ir N6 O9 -","- C32 H43 B Cl3 Ir N6 O9 -","- C128 H172 B4 Cl12 Ir4 N24 O36 -","4","1","","Paneque, Margarita; Poveda, Manuel L.; Rendón, Nuria; Mereiter, Kurt","Reaction of the Iridacyclopentadiene TpMe2Ir(C(R)C(R)C(R)C(R))(H2O) (R = CO2Me) with Alkynes","Organometallics","2009","28","1","172","","10.1021/om8001153","","","0.71073","MoKα","","0.0405","0.0321","","","0.068","0.0712","","","","","","1.023","","","","has coordinates","178572","2020-10-21","18:00:00",""
"4068296","8.6209","0.0007","11.8984","0.001","25.296","0.002","90","","90","","90","","2594.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H37 N3 O Pd -","- C29 H37 N3 O Pd -","- C116 H148 N12 O4 Pd4 -","4","1","","Hershberger, John C.; Day, Victor W.; Malinakova, Helena C.","Diastereoinduction in the Synthesis of Pallada(II)pyrrolidinones: Palladacycles with Two Pd-bonded Stereogenic Carbons","Organometallics","2009","28","3","810","","10.1021/om800630f","","","0.71073","MoKα","","0.0528","0.048","","","0.0976","0.0994","","","","","","1.099","","","","has coordinates,has disorder","178572","2020-10-21","18:00:00",""
"4068323","7.613","0.0006","16.644","0.002","20.723","0.003","90","","90","","90","","2625.8","0.5","250","","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 Fe O2 -","- C31 H38 Fe O2 -","- C124 H152 Fe4 O8 -","4","1","","Top, Siden; Thibaudeau, Céline; Vessières, Anne; Brulé, Emilie; Le Bideau, Franck; Joerger, Jean-Michel; Plamont, Marie-Aude; Samreth, Soth; Edgar, Alan; Marrot, Jérôme; Herson, Patrick; Jaouen, Gérard","Synthesis and Structure Activity Relationship of Organometallic Steroidal Androgen Derivatives","Organometallics","2009","28","5","1414","","10.1021/om800698y","","","0.71073","MoKα","","0.061","0.0312","","0.0588","0.035","0.035","","","","","","1.0693","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068324","7.4447","0.0003","15.0333","0.0006","15.3365","0.0006","90","","90","","90","","1716.44","0.12","243.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 Cl2 N Ti -","- C16 H23 Cl2 N Ti -","- C64 H92 Cl8 N4 Ti4 -","4","1","","Saeed, Irfan; Katao, Shohei; Nomura, Kotohiro","Synthesis and Structural Analysis of (Cyclopentadienyl)(pyrrolide)titanium(IV) Complexes and Their Use in Catalysis for Olefin Polymerization","Organometallics","2009","28","1","111","","10.1021/om800713t","","","0.71075","MoKα","","","0.0429","","","","0.105","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068339","9.055","0.003","10.809","0.004","33.451","0.01","90","","90","","90","","3274","1.9","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 B7 Mn O2 S2 -","- C8 H20 B7 Mn O2 S2 -","- C64 H160 B56 Mn8 O16 S16 -","8","2","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","10-Vertex Manganese−Dicarbollide Complexes from a Monocarbon Precursor. Synthesis and Cluster Vertex Functionalization of [1-OH-2,2,2-(CO)3-closo-2,1,10-MnC2B7H8]−","Organometallics","2009","28","1","225","","10.1021/om800730n","","","0.71073","MoKα","","0.0624","0.0453","","","0.0848","0.0929","","","","","","1.006","","","","has coordinates","178573","2020-10-21","18:00:00",""
"4068350","12.544","0.003","14.714","0.003","23.594","0.005","90","","90","","90","","4354.8","1.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 I2 N2 P2 Pt -","- C43 H52 I2 N2 P2 Pt -","- C172 H208 I8 N8 P8 Pt4 -","4","1","","Brissy, Delphine; Skander, Myriem; Retailleau, Pascal; Frison, Gilles; Marinetti, Angela","Platinum(II) Complexes Featuring Chiral Diphosphines and N-Heterocyclic Carbene Ligands: Synthesis and Evaluation as Cycloisomerization Catalysts","Organometallics","2009","28","1","140","","10.1021/om800743r","","","0.71069","MoKα","","0.0657","0.0498","","","0.1111","0.1211","","","","","","1.056","","","","has coordinates","178573","2020-10-21","18:00:00",""
"4068351","11.113","0.002","17.062","0.002","28.405","0.005","90","","90","","90","","5385.9","1.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49.7 H51.7 Cl5.1 I2 N2 P2 Pt -","- C49.7 H51.7 Cl5.1 I2 N2 P2 Pt -","- C198.8 H206.8 Cl20.4 I8 N8 P8 Pt4 -","4","1","","Brissy, Delphine; Skander, Myriem; Retailleau, Pascal; Frison, Gilles; Marinetti, Angela","Platinum(II) Complexes Featuring Chiral Diphosphines and N-Heterocyclic Carbene Ligands: Synthesis and Evaluation as Cycloisomerization Catalysts","Organometallics","2009","28","1","140","","10.1021/om800743r","","","0.7107","MoKα","","0.065","0.0432","","","0.0929","0.1024","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4068394","9.409","0.002","10.736","0.002","17.932","0.003","90","","90","","90","","1811.4","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Fe O8 P -","- C15 H21 Fe O8 P -","- C60 H84 Fe4 O32 P4 -","4","1","","Salaün, J. Y.; Rumin, R.; Setifi, F.; Triki, S.; Jaffrès, P. A.","Phosphine Addition to Pyruvoyl Ligands of Iron Complexes: Formation of Zwitterionic Metallalactones","Organometallics","2009","28","1","216","224","10.1021/om800804b","","","0.71073","MoKα","","0.0989","0.0709","","","0.0991","0.11","","","","","","1.026","","","","has coordinates","209867","2020-10-21","18:00:00",""
"4068402","11.494","0.003","14.886","0.003","16.076","0.003","90","","90","","90","","2750.6","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 N2 O Zn -","- C26 H46 N2 O Zn -","- C104 H184 N8 O4 Zn4 -","4","1","","Labourdette, Guillaume; Lee, Daniel J.; Patrick, Brian O.; Ezhova, Maria B.; Mehrkhodavandi, Parisa","Unusually Stable Chiral Ethyl Zinc Complexes: Reactivity and Polymerization of Lactide","Organometallics","2009","28","5","1309","","10.1021/om800818v","","","0.71073","MoKα","","0.0993","0.0556","","","0.0936","0.1077","","","","","","0.992","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068406","7.5743","0.0004","15.7519","0.0008","21.3385","0.0011","90","","90","","90","","2545.9","0.2","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cl F6 Ir N4 P -","- C21 H29 Cl F6 Ir N4 P -","- C84 H116 Cl4 F24 Ir4 N16 P4 -","4","1","","Gnanamgari, Dinakar; Sauer, Effiette L. O.; Schley, Nathan D.; Butler, Chase; Incarvito, Christopher D.; Crabtree, Robert H.","Iridium and Ruthenium Complexes with Chelating N-Heterocyclic Carbenes: Efficient Catalysts for Transfer Hydrogenation, β-Alkylation of Alcohols, and N-Alkylation of Amines","Organometallics","2009","28","1","321","","10.1021/om800821q","","","0.71075","MoKα","","0.0406","0.0359","","","0.0727","0.074","","","","","","1.115","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068416","10.4504","0.0009","13.7867","0.0012","18.393","0.0015","90","","90","","90","","2650","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 Fe I N P3 -","- C22 H37 Fe I N P3 -","- C88 H148 Fe4 I4 N4 P12 -","4","1","","Camadanli, Sebnem; Beck, Robert; Flörke, Ulrich; Klein, Hans-Friedrich","C−H Activation of Imines by Trimethylphosphine-Supported Iron Complexes and Their Reactivities","Organometallics","2009","28","7","2300","","10.1021/om800828j","","","0.71073","MoKα","","0.0416","0.0347","","","0.0739","0.0768","","","","","","0.965","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068417","8.9609","0.0014","14.722","0.002","33.98","0.05","90","","90","","90","","4483","7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H35 Fe I N P3 -","- C17 H35 Fe I N P3 -","- C136 H280 Fe8 I8 N8 P24 -","8","2","","Camadanli, Sebnem; Beck, Robert; Flörke, Ulrich; Klein, Hans-Friedrich","C−H Activation of Imines by Trimethylphosphine-Supported Iron Complexes and Their Reactivities","Organometallics","2009","28","7","2300","","10.1021/om800828j","","","0.71073","MoKα","","0.0419","0.0371","","","0.0962","0.0982","","","","","","1.016","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068429","10.4092","0.0011","18.8544","0.0018","26.636","0.003","90","","90","","90","","5227.6","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H71 O6 P2 Rh -","- C56 H71 O6 P2 Rh -","- C224 H284 O24 P8 Rh4 -","4","1","","Rubio, Miguel; Suárez, Andrés; del Río, Diego; Galindo, Agustín; Álvarez, Eleuterio; Pizzano, Antonio","Rhodium Complexes with Pincer Diphosphite Ligands. Unusual Olefin in-Plane Coordination in Square-Planar Compounds†","Organometallics","2009","28","2","547","","10.1021/om800830w","","","0.71073","MoKα","","0.0421","0.0352","","","0.0717","0.0747","","","","","","1.019","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068462","10.8274","0.0011","12.1563","0.0012","34.104","0.004","90","","90","","90","","4488.8","0.8","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Di(η^5^-cyclopentadienyl)molybdenum-bis(bismuthdi(tert- butyldimethylsilanolat))","","- C34 H70 Bi2 Mo O4 Si4 -","- C34 H70 Bi2 Mo O4 Si4 -","- C136 H280 Bi8 Mo4 O16 Si16 -","4","1","","Knispel, Christina; Limberg, Christian; Mehring, Michael","Opening of Bent Bi−C Bonds by Silanols To Give Stable Cp2Mo(μ-BiOR)2MoCp2Complexes","Organometallics","2009","28","2","646","","10.1021/om8008662","","","0.71073","MoKα","","0.091","0.0542","","","0.0901","0.0994","","","","","","0.901","","","","has coordinates","178574","2020-10-21","18:00:00",""
"4068511","9.975","0.003","16.527","0.005","24.668","0.007","90","","90","","90","","4067","2","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H34.5 Cl2 O2.25 Os P2 -","- C42 H34.5 Cl2 O2.25 Os P2 -","- C168 H138 Cl8 O9 Os4 P8 -","4","1","","Gong, Lei; Lin, Yumei; Wen, Ting Bin; Xia, Haiping","Synthesis of Coordinated η2-α,β-Unsaturated Ketone Osmacycles from an Osmium-Coordinated Alkyne Alcohol Complex","Organometallics","2009","28","4","1101","","10.1021/om800907v","","","0.71073","MoKα","","0.072","0.0681","","","0.1933","0.1977","","","","","","0.961","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068519","9.5861","0.0014","12.0189","0.0017","30.141","0.004","90","","90","","90","","3472.7","0.8","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H59 Al3 U -","- C30 H59 Al3 U -","- C120 H236 Al12 U4 -","4","1","","Dietrich, H. Martin; Ziller, Joseph W.; Anwander, Reiner; Evans, William J.","Reactivity of (C5Me5)2UMe2and (C5Me5)2UMeCl toward Group 13 Alkyls","Organometallics","2009","28","4","1173","","10.1021/om800914w","","","0.71073","MoKα","","0.0335","0.0294","","","0.0672","0.0689","","","","","","1.121","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068531","8.619","0.0002","21.2446","0.0005","21.6007","0.0005","90","","90","","90","","3955.24","0.16","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H44 Cl N O6 P2 Pd -","- C43 H44 Cl N O6 P2 Pd -","- C172 H176 Cl4 N4 O24 P8 Pd4 -","4","1","","Yuan, Mingjun; Pullarkat, Sumod A.; Ma, Mengtao; Zhang, Yi; Huang, Yinhua; Li, Yongxin; Goel, Akash; Leung, Pak-Hing","Asymmetric Synthesis of Functionalized 1,2-Diphosphine via the Chemoselective Hydrophosphination of Coordinated Allylic Phosphines","Organometallics","2009","28","3","780","","10.1021/om8009188","","","0.71073","MoKα","","0.0497","0.035","","","0.0751","0.083","","","","","","1.036","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068532","11.9138","0.0003","15.8503","0.0004","21.0527","0.0005","90","","90","","90","","3975.54","0.17","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H44 Cl N O5 P2 Pd -","- C43 H44 Cl N O5 P2 Pd -","- C172 H176 Cl4 N4 O20 P8 Pd4 -","4","1","","Yuan, Mingjun; Pullarkat, Sumod A.; Ma, Mengtao; Zhang, Yi; Huang, Yinhua; Li, Yongxin; Goel, Akash; Leung, Pak-Hing","Asymmetric Synthesis of Functionalized 1,2-Diphosphine via the Chemoselective Hydrophosphination of Coordinated Allylic Phosphines","Organometallics","2009","28","3","780","","10.1021/om8009188","","","0.71073","MoKα","","0.0388","0.0302","","","0.0644","0.0681","","","","","","1.015","","","","has coordinates,has disorder","178575","2020-10-21","18:00:00",""
"4068538","6.5225","0.0005","7.9532","0.0005","13.9632","0.0007","90","","90","","90","","724.34","0.08","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Mo O3 -","- C6 H8 Mo O3 -","- C24 H32 Mo4 O12 -","4","1","","Al-Ajlouni, Ahmad M.; Veljanovski, Draganco; Capapé, Alejandro; Zhao, Jin; Herdtweck, Eberhardt; Calhorda, Maria José; Kühn, Fritz E.","Kinetic Studies on the Oxidation of η5-Cyclopentadienyl Methyl Tricarbonyl Molybdenum(II) and the Use of Its Oxidation Products as Olefin Epoxidation Catalysts","Organometallics","2009","28","2","639","","10.1021/om8009206","","","0.71073","MoKα","","0.0391","0.0384","","","0.0984","0.0989","","","","","","1.094","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068546","10.2343","0.0018","13.632","0.003","23.778","0.005","90","","90","","90","","3317.4","1.2","93.1","","","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 Cl2 F6 Ir N3 O2 S Sb -","- C26 H39 Cl2 F6 Ir N3 O2 S Sb -","- C104 H156 Cl8 F24 Ir4 N12 O8 S4 Sb4 -","4","1","","Shirai, Shin-yo; Nara, Hideki; Kayaki, Yoshihito; Ikariya, Takao","Remarkable Positive Effect of Silver Salts on Asymmetric Hydrogenation of Acyclic Imines with Cp*Ir Complexes Bearing Chiral N-Sulfonylated Diamine Ligands","Organometallics","2009","28","3","802","","10.1021/om800926p","","","0.7107","MoKα","","","0.0351","","","","0.1035","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4068552","8.3","0.001","15.035","0.002","19.512","0.004","90","","90","","90","","2434.9","0.7","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Bi I2 -","- C24 H25 Bi I2 -","- C96 H100 Bi4 I8 -","4","1","","Breunig, Hans J.; Haddad, Nawja; Lork, Enno; Mehring, Michael; Mügge, Clemens; Nolde, Christof; Raţ, Ciprian I.; Schürmann, Markus","Novel Sterically Congested Monoorganobismuth(III) Compounds: Synthesis, Structure, and Bismuth−Arene π Interaction in ArBiXY (X, Y = Br, I, OH, 2,6-Mes2-4-t-Bu-C6H2PHO2)","Organometallics","2009","28","4","1202","","10.1021/om800934c","","","0.71073","MoKα","","0.0531","0.0479","","","0.1219","0.1249","","","","","","1.062","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068571","11.9056","0.0006","13.1663","0.0006","18.7063","0.0009","90","","90","","90","","2932.3","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O5 Ru -","- C32 H30 N2 O5 Ru -","- C128 H120 N8 O20 Ru4 -","4","1","","Ito, Jun-ichi; Ujiie, Satoshi; Nishiyama, Hisao","New Bis(oxazolinyl)phenyl−Ruthenium(II) Complexes and Their Catalytic Activity for Enantioselective Hydrogenation and Transfer Hydrogenation of Ketones","Organometallics","2009","28","2","630","","10.1021/om800953f","","","0.71073","MoKα","","0.0248","0.024","","","0.0607","0.0612","","","","","","1.08","","","","has coordinates","178575","2020-10-21","18:00:00",""
"4068604","9.091","0.003","11.053","0.003","22.995","0.006","90","","90","","90","","2310.6","1.2","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br2 N2 O Pt S -","- C23 H24 Br2 N2 O Pt S -","- C92 H96 Br8 N8 O4 Pt4 S4 -","4","1","","Hu, Jian Jin; Li, Fuwei; Hor, T. S. Andy","Novel Pt(II) Mono- and Biscarbene Complexes: Synthesis, Structural Characterization and Application in Hydrosilylation Catalysis","Organometallics","2009","28","4","1212","","10.1021/om800978j","","","0.71073","MoKα","","0.1046","0.0697","","","0.1376","0.1499","","","","","","1.014","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4068632","12.566","0.003","12.644","0.003","14.315","0.003","90","","90","","90","","2274.4","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O2 Ru -","- C24 H22 N2 O2 Ru -","- C96 H88 N8 O8 Ru4 -","4","1","","Koutsantonis, George A.; Jenkins, Gareth I.; Schauer, Phil A.; Szczepaniak, Barbara; Skelton, Brian W.; Tan, Colin; White, Allan H.","Coordinating Tectons: Bipyridyl-Terminated Group 8 Alkynyl Complexes","Organometallics","2009","28","7","2195","","10.1021/om800992p","","","0.71073","MoKα","","0.0534","0.0421","","","0.0908","0.0946","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4068637","9.6035","0.0001","22.335","0.0001","30.8769","0.0002","90","","90","","90","","6622.92","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H72 N2 P4 Ru -","- C84 H72 N2 P4 Ru -","- C336 H288 N8 P16 Ru4 -","4","1","","Koutsantonis, George A.; Jenkins, Gareth I.; Schauer, Phil A.; Szczepaniak, Barbara; Skelton, Brian W.; Tan, Colin; White, Allan H.","Coordinating Tectons: Bipyridyl-Terminated Group 8 Alkynyl Complexes","Organometallics","2009","28","7","2195","","10.1021/om800992p","","","1.54184","CuKα","","0.0578","0.0457","","","0.1273","0.1322","","","","","","1.036","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068643","8.3927","0.0004","16.1471","0.0008","21.6575","0.0011","90","","90","","90","","2935","0.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 Br N2 O2 Rh S -","- C31 H36 Br N2 O2 Rh S -","- C124 H144 Br4 N8 O8 Rh4 S4 -","4","1","","Blacker, A. John; Duckett, Simon B.; Grace, Jake; Perutz, Robin N.; Whitwood, Adrian C.","Reactivity, Structures, and NMR Spectroscopy of Half-Sandwich Pentamethylcyclopentadienyl Rhodium Amido Complexes Relevant to Transfer Hydrogenation","Organometallics","2009","28","5","1435","","10.1021/om8009969","","","0.71073","MoKα","","0.0547","0.0428","","","0.1172","0.1207","","","","","","1.024","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068646","7.8845","0.0004","11.3176","0.0005","31.7839","0.0014","90","","90","","90","","2836.2","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Cl F N2 O2 Rh S -","- C30 H33 Cl F N2 O2 Rh S -","- C120 H132 Cl4 F4 N8 O8 Rh4 S4 -","4","1","","Blacker, A. John; Duckett, Simon B.; Grace, Jake; Perutz, Robin N.; Whitwood, Adrian C.","Reactivity, Structures, and NMR Spectroscopy of Half-Sandwich Pentamethylcyclopentadienyl Rhodium Amido Complexes Relevant to Transfer Hydrogenation","Organometallics","2009","28","5","1435","","10.1021/om8009969","","","0.71073","MoKα","","0.0267","0.0253","","","0.0622","0.067","","","","","","1.201","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068659","10.815","0.002","9.021","0.0018","11.805","0.002","90","","90","","90","","1151.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Br N Se -","- C10 H14 Br N Se -","- C40 H56 Br4 N4 Se4 -","4","1","","Kaur, Rupinder; Menon, Saija C.; Panda, Snigdha; Singh, Harkesh B.; Patel, Rajan P.; Butcher, Ray J.","Facile Cleavage of Organochalcogen Hybrid (NEEN, NEN, EN, where E = Se or Te) Ligand C−E and E−E Bonds by Pd(II)","Organometallics","2009","28","8","2363","","10.1021/om801015e","","","0.71073","MoKα","","0.1174","0.0488","","","0.0651","0.0794","","","","","","1.016","","","","has coordinates","178576","2020-10-21","18:00:00",""
"4068677","10.7336","0.0006","13.5973","0.0009","18.1057","0.0011","90","","90","","90","","2642.5","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 Cu2 I4 N6 P2 -","- C14 H30 Cu2 I4 N6 P2 -","- C56 H120 Cu8 I16 N24 P8 -","4","1","","Kirillov, Alexander M.; Smoleński, Piotr; Haukka, Matti; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Unprecedented Metal-Free C(sp3)−C(sp3) Bond Cleavage: Switching fromN-Alkyl- toN-Methyl-1,3,5-triaza-7-phosphaadamantane","Organometallics","2009","28","6","1683","","10.1021/om801026a","","","0.71069","MoKα","","0.0417","0.0327","","","0.0614","0.0635","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4068738","8.717","0.002","10.984","0.003","17.422","0.004","90","","90","","90","","1668.1","0.7","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin","Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization","Organometallics","2009","28","4","1127","","10.1021/om801061v","","","0.7107","MoKα","","0.0385","0.0351","","","0.0877","0.0897","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4068739","11.844","0.0005","11.8553","0.0005","19.7943","0.0011","90","","90","","90","","2779.4","0.2","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 -","- C16 H20 N2 -","- C128 H160 N16 -","8","2","","Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin","Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization","Organometallics","2009","28","4","1127","","10.1021/om801061v","","","0.7107","MoKα","","0.0472","0.0443","","","0.1029","0.1044","","","","","","1.077","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4068741","8.7454","0.0011","18.336","0.002","19.675","0.002","90","","90","","90","","3155","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 N6 Ti -","- C33 H40 N6 Ti -","- C132 H160 N24 Ti4 -","4","1","","Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin","Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization","Organometallics","2009","28","4","1127","","10.1021/om801061v","","","0.7107","MoKα","","0.095","0.0827","","","0.1907","0.1975","","","","","","1.14","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4068747","11.2337","0.0006","16.0929","0.001","34.879","0.002","90","","90","","90","","6305.5","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C75 H78 N6 O2 Zr -","- C75 H78 N6 O2 Zr -","- C300 H312 N24 O8 Zr4 -","4","1","","Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin","Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization","Organometallics","2009","28","4","1127","","10.1021/om801061v","","","0.7107","MoKα","","0.0659","0.0553","","","0.1399","0.162","","","","","","1.059","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4068750","11.5881","0.0003","14.3883","0.0004","16.9461","0.0004","90","","90","","90","","2825.48","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 Cl Ir N2 -","- C33 H34 Cl Ir N2 -","- C132 H136 Cl4 Ir4 N8 -","4","1","","Metallinos, Costa; Du, Xiangdong","Neutral and Cationic Iridium(I) Complexes Bearing Chiral Phenanthroline-Derived Benzimidazolylidenes: Synthetic, Structural, and Catalytic Studies","Organometallics","2009","28","4","1233","","10.1021/om801063w","","","0.71073","MoKα","","0.0262","0.0227","","","0.0488","0.0502","","","","","","1.03","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4068770","11.1431","0.0006","14.5034","0.0008","22.8917","0.0013","90","","90","","90","","3699.6","0.4","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cl2 N5 O P Ru S -","- C37 H36 Cl2 N5 O P Ru S -","- C148 H144 Cl8 N20 O4 P4 Ru4 S4 -","4","1","","Zeng, Fanlong; Yu, Zhengkun","Construction of Highly Active Ruthenium(II) NNN Complex Catalysts Bearing a Pyridyl-Supported Pyrazolyl-Imidazolyl Ligand for Transfer Hydrogenation of Ketones","Organometallics","2009","28","6","1855","1862","10.1021/om801080p","","","0.71073","MoKα","","0.0582","0.044","","","0.0984","0.103","","","","","","0.95","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4068798","13.3171","0.0003","15.2363","0.0003","22.3966","0.0005","90","","90","","90","","4544.34","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H29 B F24 Ni -","- C44 H29 B F24 Ni -","- C176 H116 B4 F96 Ni4 -","4","1","","O’Connor, Abby R.; Urbin, Stephanie A.; Moorhouse, Rebecca A.; White, Peter S.; Brookhart, Maurice","Synthesis and Reactivity of Cationic (Allyl)(arene)nickel(II) and (Allyl)(arene)palladium(II) Complexes","Organometallics","2009","28","8","2372","","10.1021/om801103p","","","0.71073","MoKα","","0.0619","0.0555","","","0.1176","0.1225","","","","","","1.044","","","","has coordinates","178577","2020-10-21","18:00:00",""
"4068813","11.7087","0.0002","13.337","0.0002","19.4696","0.0003","90","","90","","90","","3040.35","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H37 Br Cl Ir O10 P2 -","- C21 H37 Br Cl Ir O10 P2 -","- C84 H148 Br4 Cl4 Ir4 O40 P8 -","4","1","","Pelczar, Elizabeth M.; Munro-Leighton, Colleen; Gagné, Michel R.","Oxidative Addition of Glycosylbromides totrans-Ir(PMe3)2(CO)Cl","Organometallics","2009","28","3","663","","10.1021/om8011135","","","0.71073","MoKα","","0.0459","0.0378","","","0.0865","0.0897","","","","","","1.05","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4068825","10.5977","0.0008","11.6455","0.0008","22.844","0.002","90","","90","","90","","2819.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H47 N3 O2 W -","- C24 H47 N3 O2 W -","- C96 H188 N12 O8 W4 -","4","1","","Beer, Stephan; Brandhorst, Kai; Hrib, Cristian G.; Wu, Xian; Haberlag, Birte; Grunenberg, Jörg; Jones, Peter G.; Tamm, Matthias","Experimental and Theoretical Investigations of Catalytic Alkyne Cross-Metathesis with Imidazolin-2-iminato Tungsten Alkylidyne Complexes","Organometallics","2009","28","5","1534","","10.1021/om801119t","","","0.71073","MoKα","","0.036","0.0266","","","0.0435","0.0459","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4068833","8.36","0.0002","14.514","0.0003","15.551","0.0004","90","","90","","90","","1886.91","0.08","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N Zr -","- C23 H29 N Zr -","- C92 H116 N4 Zr4 -","4","1","","Bareš, Josef; Richard, Philippe; Meunier, Philippe; Pirio, Nadine; Padělková, Zdeňka; Černošek, Zdeněk; Císařová, Ivana; Růžička, Aleš","Reactions of C,N-chelated Tin(II) and Lead(II) Compounds with Zirconocene Dichloride Derivatives","Organometallics","2009","28","10","3105","","10.1021/om801120a","","","0.71073","MoKα","","0.0391","0.031","","","0.065","0.0689","","","","","","1.085","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4068838","10.3469","0.0007","13.8409","0.0009","20.1361","0.0013","90","","90","","90","","2883.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 B2 F6 P2 -","- C30 H26 B2 F6 P2 -","- C120 H104 B8 F24 P8 -","4","1","","Anderson, Brian J.; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Substrate and Catalyst Screening in Platinum-Catalyzed Asymmetric Alkylation of Bis(secondary) Phosphines. Synthesis of an Enantiomerically PureC2-Symmetric Diphosphine","Organometallics","2009","28","1","386","","10.1021/om801124t","","","0.71073","MoKα","","0.0483","0.0444","","","0.121","0.1233","","","","","","1.137","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4068840","10.38","0.0016","13.92","0.002","20.209","0.003","90","","90","","90","","2920","0.8","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","BJA-427","","","- C30 H32 B2 F6 P2 -","- C30 H32 B2 F6 P2 -","- C120 H128 B8 F24 P8 -","4","1","","Anderson, Brian J.; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Substrate and Catalyst Screening in Platinum-Catalyzed Asymmetric Alkylation of Bis(secondary) Phosphines. Synthesis of an Enantiomerically PureC2-Symmetric Diphosphine","Organometallics","2009","28","1","386","","10.1021/om801124t","","","0.71073","MoKα","","0.0592","0.0564","","","0.1173","0.1184","","","","","","1.239","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4068841","9.976","0.002","10.613","0.002","30.708","0.006","90","","90","","90","","3251.2","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(η^5^-C~5~Me~5~)Ru(=C=C=CHPh)(PEt~3~)~2~][BF~4~]","(η^5^-pentamethyl-cyclopentadienyl)-(3-phenylallenylidene)- bis(triethylphosphine)-ruthenium (II) tetrafluoroborate","","- C30.92 H51 B F4 P2 Ru -","- C30.92 H51 B F4 P2 Ru -","- C123.68 H204 B4 F16 P8 Ru4 -","4","1","","Pino-Chamorro, Jose Angel; Bustelo, Emilio; Puerta, M. Carmen; Valerga, Pedro","Allenylidene/Alkenylcarbyne Synthesis and Reactivity in Ruthenium Complexes with Monodentate Phosphine Ligands","Organometallics","2009","28","5","1546","","10.1021/om801125f","","x-ray","0.71073","MoKα","","0.0713","0.0693","","","0.1715","0.1732","","","","","","1.047","","","","has coordinates,has disorder","178578","2020-10-21","18:00:00",""
"4068902","12.987","0.0001","20.607","0.0002","21.251","0.0002","90","","90","","90","","5687.26","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H88 N4 O2 Ru -","- C61 H87 N4 O2 Ru -","- C244 H348 N16 O8 Ru4 -","4","1","","Saker, Olly; Mahon, Mary F.; Warren, John E.; Whittlesey, Michael K.","Sequential Formation of [Ru(IPr)2(CO)H(OH2)]+and [Ru(IPr)(η6-C6H6)(CO)H]+upon Protonation of Ru(IPr)2(CO)H(OH) (IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)","Organometallics","2009","28","6","1976","","10.1021/om801150v","","","0.71073","MoKα","","0.0477","0.0339","","","0.0736","0.0793","","","","","","1.057","","","","has coordinates","178579","2020-10-21","18:00:00",""
"4068915","9.8353","0.0005","14.9032","0.0007","21.2164","0.0008","90","","90","","90","","3109.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 Cl3 N2 Si -","- C31 H43 Cl3 N2 Si -","- C124 H172 Cl12 N8 Si4 -","4","1","","Xiong, Yun; Yao, Shenglai; Driess, Matthias","Reactivity of a Zwitterionic Stable Silylene toward Halosilanes and Haloalkanes","Organometallics","2009","28","6","1927","","10.1021/om801157u","","","0.71073","MoKα","","0.1193","0.0478","","","0.0456","0.0528","","","","","","0.743","","","","has coordinates,has disorder","178579","2020-10-21","18:00:00",""
"4068986","11.6377","0.0014","19.076","0.002","20.423","0.002","90","","90","","90","","4533.9","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H68 N3 O2 Si4 Y -","- C39 H68 N3 O2 Si4 Y -","- C156 H272 N12 O8 Si16 Y4 -","4","1","","Stanlake, Louisa J. E.; Schafer, Laurel L.","Bis- and Mono(amidate) Complexes of Yttrium: Synthesis, Characterization, and Use as Precatalysts for the Hydroamination of Aminoalkenes","Organometallics","2009","28","14","3990","","10.1021/om801190t","","","0.71073","MoKα","","0.0877","0.0466","","","0.0787","0.089","","","","","","0.998","","","","has coordinates,has disorder","178579","2020-10-21","18:00:00",""
"4069008","10.391","0.002","15.356","0.003","26.626","0.005","90","","90","","90","","4248.6","1.4","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C43 H49 B F4 N O6 P2 Rh -","- C43 H49 B F4 N O6 P2 Rh -","- C172 H196 B4 F16 N4 O24 P8 Rh4 -","4","1","","Preetz, Angelika; Baumann, Wolfgang; Fischer, Christian; Drexler, Hans-Joachim; Schmidt, Thomas; Thede, Richard; Heller, Detlef","Asymmetric Hydrogenation. Dimerization of Solvate Complexes: Synthesis and Characterization of Dimeric [Rh(DIPAMP)]22+, a Valuable Catalyst Precursor","Organometallics","2009","28","13","3673","","10.1021/om801199q","","","0.71073","MoKα","","0.0624","0.0449","","","0.0889","0.0929","","","","","","0.874","","","","has coordinates","178507","2020-10-21","18:00:00",""
"4069074","12.8945","0.0001","20.4003","0.0002","21.273","0.0002","90","","90","","90","","5595.9","0.09","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H84 Cl Ir N4 O -","- C58 H84 Cl Ir N4 O -","- C232 H336 Cl4 Ir4 N16 O4 -","4","1","","Tang, Christina Y.; Smith, William; Vidovic, Dragoslav; Thompson, Amber L.; Chaplin, Adrian B.; Aldridge, Simon","Sterically Encumbered Iridium Bis(N-heterocyclic carbene) Systems: Multiple C−H Activation Processes and Isomeric Normal/Abnormal Carbene Complexes","Organometallics","2009","28","10","3059","","10.1021/om9000082","","","0.71073","MoKα","","0.0553","0.0488","","0.0661","0.0558","0.0542","","","","","","1.1832","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4069077","13.7695","0.0002","15.5245","0.0002","20.7361","0.0002","90","","90","","90","","4432.64","0.1","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H62 Cl Ir N4 -","- C48 H60 Cl Ir N4 -","- C192 H240 Cl4 Ir4 N16 -","4","1","","Tang, Christina Y.; Smith, William; Vidovic, Dragoslav; Thompson, Amber L.; Chaplin, Adrian B.; Aldridge, Simon","Sterically Encumbered Iridium Bis(N-heterocyclic carbene) Systems: Multiple C−H Activation Processes and Isomeric Normal/Abnormal Carbene Complexes","Organometallics","2009","28","10","3059","","10.1021/om9000082","","","0.71073","MoKα","","0.0393","0.0348","","0.0838","0.0808","0.0838","","","","","","0.9998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069079","14.7619","0.0002","15.3868","0.0002","18.6971","0.0002","90","","90","","90","","4246.83","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H65 Cl2 Ir N2 -","- C43 H65 Cl2 Ir N2 -","- C172 H260 Cl8 Ir4 N8 -","4","1","","Tang, Christina Y.; Smith, William; Vidovic, Dragoslav; Thompson, Amber L.; Chaplin, Adrian B.; Aldridge, Simon","Sterically Encumbered Iridium Bis(N-heterocyclic carbene) Systems: Multiple C−H Activation Processes and Isomeric Normal/Abnormal Carbene Complexes","Organometallics","2009","28","10","3059","","10.1021/om9000082","","","0.71073","MoKα","","0.0398","0.0305","","0.0688","0.0613","0.0687","","","","","","0.9993","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4069152","15.1845","0.0003","16.4324","0.0003","17.2198","0.0004","90","","90","","90","","4296.65","0.15","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H65 Li Mg O4 -","- C43 H65 Li Mg O4 -","- C172 H260 Li4 Mg4 O16 -","4","1","","Langer, Jens; Krieck, Sven; Fischer, Reinald; Görls, Helmar; Walther, Dirk; Westerhausen, Matthias","1,4-Dioxane Adducts of Grignard Reagents: Synthesis, Ether Fragmentation Reactions, and Structural Diversity of Grignard Reagent/1,4-Dioxane Complexes","Organometallics","2009","28","19","5814","","10.1021/om9000567","","","0.71073","MoKα","","0.0879","0.0572","","","0.1444","0.1666","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4069160","13.6719","0.0011","15.5546","0.0013","17.9798","0.0015","90","","90","","90","","3823.6","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 N2 O2 P2 Rh -","- C45 H43 N2 O2 P2 Rh -","- C180 H172 N8 O8 P8 Rh4 -","4","1","","Axtell, Alex T.; Klosin, Jerzy; Whiteker, Gregory T.; Cobley, Christopher J.; Fox, Martin E.; Jackson, Mark; Abboud, Khalil A.","Bridging Group Effects in Chelating Bis(2,5-diphenylphospholane) Ligands for Rhodium-Catalyzed Asymmetric Hydroformylation","Organometallics","2009","28","10","2993","","10.1021/om9000583","","","0.71073","MoKα","","0.0379","0.0354","","","0.0745","0.0754","","","","","","1.217","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069161","13.4836","0.0008","33.964","0.002","34.807","0.002","90","","90","","90","","15940.1","1.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C170 H191 N9 O8 P8 Rh4 -","- C170 H191 N9 O8 P8 Rh4 -","- C680 H764 N36 O32 P32 Rh16 -","4","1","","Axtell, Alex T.; Klosin, Jerzy; Whiteker, Gregory T.; Cobley, Christopher J.; Fox, Martin E.; Jackson, Mark; Abboud, Khalil A.","Bridging Group Effects in Chelating Bis(2,5-diphenylphospholane) Ligands for Rhodium-Catalyzed Asymmetric Hydroformylation","Organometallics","2009","28","10","2993","","10.1021/om9000583","","","0.71073","MoKα","","0.113","0.0604","","","0.1005","0.1148","","","","","","1.021","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4069189","12.562","0.005","13.279","0.005","14.745","0.005","90","","90","","90","","2459.6","1.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Titanium","Titanium amide chloride","","- C12 H36 Cl2 N2 Si4 Ti -","- C12 H36 Cl2 N2 Si4 Ti -","- C48 H144 Cl8 N8 Si16 Ti4 -","4","1","","Yu, Xianghua; Chen, Shu-Jian; Wang, Xiaoping; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and Characterization of Group 4 Amide Chloride and Amide Imide Complexes","Organometallics","2009","28","15","4269","","10.1021/om900070k","","","0.71073","MoKα","","0.0403","0.0369","","","0.1063","0.1123","","","","","","0.881","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069190","8.912","0.005","13.396","0.008","19.466","0.012","90","","90","","90","","2324","2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Zirconium bis(trimethyl)silyl amide chloride","Zirconium bis(trimethyl)silyl amide chloride","","- C14 H34 Cl3 N O2 Si2 Zr -","- C14 H34 Cl3 N O2 Si2 Zr -","- C56 H136 Cl12 N4 O8 Si8 Zr4 -","4","1","","Yu, Xianghua; Chen, Shu-Jian; Wang, Xiaoping; Chen, Xue-Tai; Xue, Zi-Ling","Synthesis and Characterization of Group 4 Amide Chloride and Amide Imide Complexes","Organometallics","2009","28","15","4269","","10.1021/om900070k","","","0.71073","MoKα","","0.0427","0.0354","","","0.0881","0.0965","","","","","","0.844","","","","has coordinates","178580","2020-10-21","18:00:00",""
"4069210","7.6512","0.001","14.681","0.002","22.798","0.003","90","","90","","90","","2560.8","0.6","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","jonll52","","","- C25 H26 Cl3 F3 N Rh -","- C25 H26 Cl3 F3 N Rh -","- C100 H104 Cl12 F12 N4 Rh4 -","4","1","","Li, Ling; Brennessel, William W.; Jones, William D.","C−H Activation of Phenyl Imines and 2-Phenylpyridines with [Cp*MCl2]2(M = Ir, Rh): Regioselectivity, Kinetics, and Mechanism","Organometallics","2009","28","12","3492","","10.1021/om9000742","","","0.71073","MoKα","","0.0751","0.0597","","","0.1544","0.1632","","","","","","1.061","","","","has coordinates","178581","2020-10-21","18:00:00",""
"4069255","10.0949","0.0007","20.4152","0.0016","24.5195","0.0019","90","","90","","90","","5053.2","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H46 Br2 N4 O2 Pd -","- C60 H38 Br2 N4 O2 Pd -","- C240 H152 Br8 N16 O8 Pd4 -","4","1","","Wang, Wenfeng; Zhang, Tao; Shi, Min","Chiral Bis(NHC)−Palladium(II) Complex Catalyzed and Diethylzinc-Mediated Enantioselective Umpolung Allylation of Aldehydes","Organometallics","2009","28","8","2640","","10.1021/om900109m","","","0.71073","MoKα","","0.0926","0.0654","","","0.1298","0.1412","","","","","","0.952","","","","has coordinates","178581","2020-10-21","18:00:00",""
"4069274","4.6647","0.0003","17.0822","0.0009","29.1293","0.0013","90","","90","","90","","2321.1","0.2","173.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 S -","- C15 H12 S -","- C120 H96 S8 -","8","2","","Kanao, Keiichiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Ruthenium-Catalyzed Enantioselective Intramolecular Propargylation of Thiophenes with Propargylic Alcohols","Organometallics","2009","28","9","2920","","10.1021/om9001186","","","0.71075","MoKα","","","0.039","","","","0.1011","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069284","9.026","0.0003","13.9022","0.0005","15.2615","0.0006","90","","90","","90","","1915.03","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Hf -","- C22 H28 Hf -","- C88 H112 Hf4 -","4","1","","Burlakov, Vladimir V.; Beweries, Torsten; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Petrovskii, Pavel V.; Spannenberg, Anke; Lyssenko, Konstantin A.; Shur, Vladimir B.; Rosenthal, Uwe","Synthesis and Isolation of Di-n-butylhafnocene and Its Application as a Versatile Starting Material for the Synthesis of New Hafnacycles","Organometallics","2009","28","9","2864","","10.1021/om900122w","","","0.71073","MoKα","","0.0245","0.0226","","","0.0496","0.0502","","","","","","1.039","","","","has coordinates,has disorder","178581","2020-10-21","18:00:00",""
"4069297","14.6094","0.0012","17.0071","0.0014","24.688","0.002","90","","90","","90","","6134.1","0.9","193","2","193","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C58 H51 Cl4 F6 Ir O9 P4 Ru S2 -","- C58 H51 Cl4 F6 Ir O9 P4 Ru S2 -","- C232 H204 Cl16 F24 Ir4 O36 P16 Ru4 S8 -","4","1","","Samant, Rahul G.; Trepanier, Steven J.; Wigginton, James R.; Xu, Li; Bierenstiel, Matthias; McDonald, Robert; Ferguson, Michael J.; Cowie, Martin","Unsymmetrically Bridged Methyl Groups as Intermediates in the Transformation of Bridging Methylene to Bridging Acetyl Groups: Ligand Migrations and Migratory Insertions in Mixed Iridium/Ruthenium Complexes","Organometallics","2009","28","12","3407","","10.1021/om900127u","","","0.71073","MoKα","","0.0623","0.0418","","","0.0867","0.0943","","","","","","1.026","","","","has coordinates","178581","2020-10-21","18:00:00",""
"4069314","13.1386","0.0014","17.9548","0.0017","21.9083","0.0018","90","","90","","90","","5168.2","0.9","220","2","220","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55 H48 Cl4 Fe N4 O4 Pd S2 -","- C54 Cl2 Fe N4 O4 Pd S2 -","- C216 Cl8 Fe4 N16 O16 Pd4 S8 -","4","1","","Jautze, Sascha; Diethelm, Stefan; Frey, Wolfgang; Peters, René","Diastereoselective Bis-Cyclopalladation of Ferrocene-1,1′-diyl Bis-Imidazolines: Translation of Central via Axial into Planar Chirality","Organometallics","2009","28","7","2001","","10.1021/om900137c","","","0.7107","MoKα","","0.0456","0.038","","","0.0869","0.0915","","","","","","1.036","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069327","10.0088","0.0006","18.0397","0.0012","20.7107","0.0013","90","","90","","90","","3739.4","0.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 N12 Ni -","- C36 H54 N12 Ni -","- C144 H216 N48 Ni4 -","4","1","","Jothibasu, Ramasamy; Huynh, Han Vinh","Mixed Azido-N-Heterocyclic Carbene Complexes of Nickel(II) as a Template for New Organometallics Bearing Carbodiimido, Tetrazolato, and Abnormal Tetrazolin-5-ylidene Ligands","Organometallics","2009","28","8","2505","","10.1021/om900140e","","","0.71073","MoKα","","0.0595","0.0445","","","0.0926","0.0986","","","","","","0.989","","","","has coordinates","178582","2020-10-21","18:00:00",""
"4069403","9.224","0.003","9.411","0.003","25.879","0.008","90","","90","","90","","2246.5","1.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 F5 Ni P2 -","- C18 H31 F5 Ni P2 -","- C72 H124 F20 Ni4 P8 -","4","1","","Johnson, Samuel A.; Taylor, Erin T.; Cruise, Sean J.","A Combined Experimental and Computational Study of Unexpected C−F Bond Activation Intermediates and Selectivity in the Reaction of Pentafluorobenzene with a (PEt3)2Ni Synthon","Organometallics","2009","28","13","3842","","10.1021/om900176v","","","0.71073","MoKα","","0.0532","0.0508","","","0.1337","0.1356","","","","","","1.108","","","","has coordinates","178583","2020-10-21","18:00:00",""
"4069406","7.9074","0.0009","8.156","0.0009","24.107","0.003","90","","90","","90","","1554.7","0.3","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O Ru -","- C19 H21 N O Ru -","- C76 H84 N4 O4 Ru4 -","4","1","","Pigge, F. Christopher; Dhanya, R.; Swenson, Dale C.","Synthesis of Polycyclic Cyclohexadienyl Ruthenium(II) Complexes from η6-Arene Precursors via Phosphine-Promoted Intramolecular Nucleophilic Aromatic Addition","Organometallics","2009","28","13","3869","","10.1021/om900178w","","","0.71073","MoKα","","0.0288","0.0247","","","0.0526","0.0541","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4069492","8.9706","0.0002","12.6229","0.0003","21.0073","0.0005","90","","90","","90","","2378.76","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 I Ir N5 -","- C22 H29 I Ir N5 -","- C88 H116 I4 Ir4 N20 -","4","1","","Raynal, Matthieu; Pattacini, Roberto; Cazin, Catherine S. J.; Vallée, Christophe; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Reaction Intermediates in the Synthesis of New Hydrido, N-Heterocyclic Dicarbene Iridium(III) Pincer Complexes","Organometallics","2009","28","14","4028","","10.1021/om900226c","","x-ray","0.71073","MoKα","","0.0579","0.0388","","","0.0827","0.1053","","","","","","1.11","","","","has coordinates","178583","2020-10-21","18:00:00",""
"4069493","9.3192","0.0003","12.9948","0.0003","24.7321","0.0008","90","","90","","90","","2995.09","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 I2 Ir N6 -","- C26 H35 I2 Ir N6 -","- C104 H140 I8 Ir4 N24 -","4","1","","Raynal, Matthieu; Pattacini, Roberto; Cazin, Catherine S. J.; Vallée, Christophe; Olivier-Bourbigou, Hélène; Braunstein, Pierre","Reaction Intermediates in the Synthesis of New Hydrido, N-Heterocyclic Dicarbene Iridium(III) Pincer Complexes","Organometallics","2009","28","14","4028","","10.1021/om900226c","","x-ray","0.71073","MoKα","","0.1127","0.0495","","","0.0845","0.1023","","","","","","0.998","","","","has coordinates","178583","2020-10-21","18:00:00",""
"4069499","7.1","0.0003","8.6253","0.0004","33.9399","0.0017","90","","90","","90","","2078.47","0.17","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 Cu N3 -","- C23 H28 Cu N3 -","- C92 H112 Cu4 N12 -","4","1","","Oguadinma, Paul O.; Schaper, Frank","Bis(2-phenylethyl)-nacnac: A Chiral Diketiminate Ligand and Its Copper Complexes","Organometallics","2009","28","14","4089","","10.1021/om9002279","","","0.71073","MoKα","","0.0298","0.0266","","","0.0646","0.0654","","","","","","1.078","","","","has coordinates","178583","2020-10-21","18:00:00",""
"4069500","10.1345","0.0006","16.2516","0.0009","19.5435","0.0011","90","","90","","90","","3218.9","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H40 Cu N2 P -","- C39 H40 Cu N2 P -","- C156 H160 Cu4 N8 P4 -","4","1","","Oguadinma, Paul O.; Schaper, Frank","Bis(2-phenylethyl)-nacnac: A Chiral Diketiminate Ligand and Its Copper Complexes","Organometallics","2009","28","14","4089","","10.1021/om9002279","","","0.71073","MoKα","","0.042","0.0305","","","0.0635","0.0664","","","","","","0.946","","","","has coordinates","178584","2020-10-21","18:00:00",""
"4069501","10.0461","0.0009","13.1703","0.0011","22.9287","0.0019","90","","90","","90","","3033.7","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 Cu N4 O2 -","- C34 H37 Cu N4 O2 -","- C136 H148 Cu4 N16 O8 -","4","1","","Oguadinma, Paul O.; Schaper, Frank","Bis(2-phenylethyl)-nacnac: A Chiral Diketiminate Ligand and Its Copper Complexes","Organometallics","2009","28","14","4089","","10.1021/om9002279","","","1.54178","CuKα","","0.0575","0.0451","","","0.1003","0.1043","","","","","","0.936","","","","has coordinates","178584","2020-10-21","18:00:00",""
"4069504","9.7805","0.0003","12.5052","0.0004","17.9988","0.0006","90","","90","","90","","2201.38","0.12","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N3 O2 -","- C25 H29 N3 O2 -","- C100 H116 N12 O8 -","4","1","","Oguadinma, Paul O.; Schaper, Frank","Bis(2-phenylethyl)-nacnac: A Chiral Diketiminate Ligand and Its Copper Complexes","Organometallics","2009","28","14","4089","","10.1021/om9002279","","","1.54178","CuKα","","0.0438","0.0373","","","0.0996","0.1036","","","","","","1.045","","","","has coordinates","178584","2020-10-21","18:00:00",""
"4069526","9.282","0.01","10.802","0.012","24.74","0.03","90","","90","","90","","2481","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Er N3 -","- C30 H26 Er N3 -","- C120 H104 Er4 N12 -","4","1","","Han, Yanan; Zhang, Jie; Han, Fuyan; Zhang, Zhengxing; Weng, Linhong; Zhou, Xigeng","Investigations on Organolanthanide Derivatives with the Hydrazonido (−NHN═CPh2) Ligand: Synthesis, Crystal Structure, and Reactivity","Organometallics","2009","28","13","3916","","10.1021/om900246b","","","0.71073","MoKα","","0.0876","0.0624","","","0.0912","0.0966","","","","","","0.957","","","","has coordinates","178584","2020-10-21","18:00:00",""
"4069615","12.967","0.0002","13.1525","0.0002","13.737","0.0002","90","","90","","90","","2342.82","0.06","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 B Cl Fe N O Sn -","- C23 H31 B Cl Fe N O Sn -","- C92 H124 B4 Cl4 Fe4 N4 O4 Sn4 -","4","1","","Boshra, Ramez; Venkatasubbaiah, Krishnan; Doshi, Ami; Jäkle, Frieder","Resolution of Planar-Chiral Ferrocenylborane Lewis Acids: The Impact of Steric Effects on the Stereoselective Binding of Ephedrine Derivatives","Organometallics","2009","28","14","4141","","10.1021/om900303j","","","1.54178","CuKα","","0.0175","0.0171","","","0.04","0.0401","","","","","","1.045","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069618","8.9444","0.0002","10.3498","0.0003","25.0386","0.0007","90","","90","","90","","2317.89","0.11","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 N O P Pd -","- C26 H22 Cl2 N O P Pd -","- C104 H88 Cl8 N4 O4 P4 Pd4 -","4","1","","Liu, Fengli; Pullarkat, Sumod A.; Li, Yongxin; Chen, Shuli; Yuan, Mingjun; Lee, Zhi Yi; Leung, Pak-Hing","Highly Enantioselective Synthesis of (2-Pyridyl)phosphine Based C-Chiral Unsymmetrical P,N-Ligands Using a Chiral Palladium Complex","Organometallics","2009","28","13","3941","","10.1021/om900305u","","","0.71073","MoKα","","0.0313","0.0275","","","0.0551","0.0564","","","","","","1.059","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069620","17.987","0.001","27.32","0.002","31.536","0.002","90","","90","","90","","15496.9","1.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C163 H212 Cl2 O28 P4 Rh2 -","- C163 H212 Cl2 O28 P4 Rh2 -","- C652 H848 Cl8 O112 P16 Rh8 -","4","1","","Facchetti, Sarah; Cavallini, Irene; Funaioli, Tiziana; Marchetti, Fabio; Iuliano, Anna","TroposLigands in Asymmetric Rhodium(I)-Catalyzed Addition of Arylboronic Acids to Enones: How a Tunable Coordination Gives Different Reaction Products","Organometallics","2009","28","14","4150","","10.1021/om900306s","","x-ray","0.70001","synchrotronradiation","","0.054","0.0528","","","0.1484","0.1506","","","","","","1.021","","","","has coordinates,has disorder","178585","2020-10-21","18:00:00",""
"4069627","11.774","0.0002","17.648","0.0005","19.431","0.0005","90","","90","","90","","4037.52","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(t-Bu2MeSi)2Ge=P(2,4,6-t-Bu3-C6H2)","","- C36 H71 Ge P Si2 -","- C36 H71 Ge P Si2 -","- C144 H284 Ge4 P4 Si8 -","4","1","","Lee, Vladimir Ya.; Kawai, Manami; Sekiguchi, Akira; Ranaivonjatovo, Henri; Escudié, Jean","A “Push−Pull” Phosphasilene and Phosphagermene and Their Anion-Radicals","Organometallics","2009","28","15","4262","","10.1021/om900310u","","","0.7107","MoKα","","0.0626","0.0585","","","0.1526","0.1563","","","","","","1.002","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069659","14.1714","0.0005","18.3361","0.0006","19.4765","0.0007","90","","90","","90","","5060.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H88 Al2 Mg O6 -","- C46 H88 Al2 Mg O6 -","- C184 H352 Al8 Mg4 O24 -","4","1","","Michel, Olaf; Meermann, Christian; Törnroos, Karl W.; Anwander, Reiner","Alkaline-Earth Metal Alkylaluminate Chemistry Revisited","Organometallics","2009","28","16","4783","","10.1021/om900342h","","","0.71073","MoKα","","0.0657","0.0473","","","0.1103","0.1235","","","","","","1.082","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069666","8.2277","0.0016","11.069","0.002","14.291","0.003","90","","90","","90","","1301.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","C6H5(CF3)RuCOD","","","- C15 H17 F3 Ru -","- C15 H17 F3 Ru -","- C60 H68 F12 Ru4 -","4","1","","Renfrew, Anna K.; Phillips, Andrew D.; Tapavicza, Enrico; Scopelliti, Rosario; Rothlisberger, Ursula; Dyson, Paul J.","Tuning the Efficacy of Ruthenium(II)-Arene (RAPTA) Antitumor Compounds with Fluorinated Arene Ligands","Organometallics","2009","28","17","5061","","10.1021/om900345n","","","0.71073","MoKα","","0.0138","0.0126","","","0.0292","0.0296","","","","","","1.079","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069668","6.4319","0.0005","7.6925","0.0007","23.9146","0.0019","90","","90","","90","","1183.23","0.17","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,4-C6H4(F2)FRuCOD","","","- C14 H16 F2 Ru -","- C14 H16 F2 Ru -","- C56 H64 F8 Ru4 -","4","1","","Renfrew, Anna K.; Phillips, Andrew D.; Tapavicza, Enrico; Scopelliti, Rosario; Rothlisberger, Ursula; Dyson, Paul J.","Tuning the Efficacy of Ruthenium(II)-Arene (RAPTA) Antitumor Compounds with Fluorinated Arene Ligands","Organometallics","2009","28","17","5061","","10.1021/om900345n","","","0.71073","","","0.0201","0.02","","","0.0488","0.0489","","","","","","1.097","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069679","13.0911","0.0011","14.3862","0.0013","21.238","0.0018","90","","90","","90","","3999.8","0.6","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 F3 Ir N3 O5 P S -","- C44 H40 F3 Ir N3 O5 P S -","- C176 H160 F12 Ir4 N12 O20 P4 S4 -","4","1","","Yadav, Mahendra; Singh, Ashish Kumar; Pandey, Daya Shankar","First Examples of Heteroleptic Dipyrrin/η5-Pentamethylcyclopentadienyl Rhodium/Iridium(III) Complexes and Their Catalytic Activity","Organometallics","2009","28","16","4713","","10.1021/om900349v","","","0.71073","MoKα","","0.0403","0.0336","","","0.0684","0.0719","","","","","","0.977","","","","has coordinates","178585","2020-10-21","18:00:00",""
"4069732","16.111","0.0014","16.989","0.0015","17.4373","0.0015","90","","90","","90","","4772.8","0.7","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C49 H41 Al Cl4 F2 P2 Pt Si -","- C49 H41 Al Cl4 F2 P2 Pt Si -","- C196 H164 Al4 Cl16 F8 P8 Pt4 Si4 -","4","1","","Mitton, Samuel J.; McDonald, Robert; Turculet, Laura","Synthesis and Characterization of Neutral and Cationic Platinum(II) Complexes Featuring Pincer-like Bis(phosphino)silyl Ligands: Si−H and Si−Cl Bond Activation Chemistry","Organometallics","2009","28","17","5122","","10.1021/om9003863","","","0.71073","MoKα","","0.0295","0.0254","","","0.0611","0.0625","","","","","","1.023","","","","has coordinates,has disorder","178586","2020-10-21","18:00:00",""
"4069739","9.3928","0.0004","15.9869","0.0006","20.697","0.0009","90","","90","","90","","3107.9","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 Ir N O P2 -","- C33 H46 Ir N O P2 -","- C132 H184 Ir4 N4 O4 P8 -","4","1","","Whited, Matthew T.; Zhu, Yanjun; Timpa, Samuel D.; Chen, Chun-Hsing; Foxman, Bruce M.; Ozerov, Oleg V.; Grubbs, Robert H.","Probing the C−H Activation of Linear and Cyclic Ethers at (PNP)Ir","Organometallics","2009","28","15","4560","","10.1021/om900395f","","","0.71073","MoKα","","0.0338","0.0256","","","0.0367","0.0379","","","","","","0.971","","","","has coordinates","178586","2020-10-21","18:00:00",""
"4069783","11.62","0.001","12.127","0.001","31.003","0.001","90","","90","","90","","4368.8","0.5","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H58 N2 Zr -","- C50 H58 N2 Zr -","- C200 H232 N8 Zr4 -","4","1","","Axenov, Kirill V.; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Functional Group Chemistry at the Group 4 Bent Metallocene Frameworks: Formation and “Metal-Free” Catalytic Hydrogenation of Bis(imino-Cp)zirconium Complexes","Organometallics","2009","28","17","5148","","10.1021/om9004093","","","0.71073","MoKα","","0.122","0.0558","","","0.1143","0.1407","","","","","","1.03","","","","has coordinates,has disorder","178586","2020-10-21","18:00:00",""
"4069801","14.0085","0.0014","15.578","0.0016","24.014","0.002","90","","90","","90","","5240.4","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 I3 N2 P -","- C22 H28 I3 N2 P -","- C176 H224 I24 N16 P8 -","8","2","","Dube, Jonathan W.; Farrar, Gregory J.; Norton, Erin L.; Szekely, Kara L. S.; Cooper, Benjamin F. T.; Macdonald, Charles L. B.","A Convenient Method for the Preparation of N-Heterocyclic Bromophosphines: Excellent Precursors to the Corresponding N-Heterocyclic Phosphenium Salts","Organometallics","2009","28","15","4377","","10.1021/om900420g","","","0.71073","MoKα","","0.0772","0.0464","","","0.09","0.1068","","","","","","1.029","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069812","11.0151","0.0003","13.9586","0.0004","37.1293","0.0012","90","","90","","90","","5708.8","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31.5 H33 Cl N O2 P Pd -","- C31.5 H33 Cl N O2 P Pd -","- C252 H264 Cl8 N8 O16 P8 Pd8 -","8","2","","Ding, Yi; Chiang, Minyi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Synthesis, Coordination Characteristics, Conformational Behavior, and Bond Reactivity Studies of a Novel Chiral Phosphapalladacycle Complex","Organometallics","2009","28","15","4358","","10.1021/om900423f","","","0.71073","MoKα","","0.0565","0.0498","","","0.1295","0.1391","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069813","10.6099","0.0003","17.1231","0.0004","22.207","0.0005","90","","90","","90","","4034.44","0.17","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H41 Cl3 P2 Pd -","- C45 H41 Cl3 P2 Pd -","- C180 H164 Cl12 P8 Pd4 -","4","1","","Ding, Yi; Chiang, Minyi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Synthesis, Coordination Characteristics, Conformational Behavior, and Bond Reactivity Studies of a Novel Chiral Phosphapalladacycle Complex","Organometallics","2009","28","15","4358","","10.1021/om900423f","","","0.71073","MoKα","","0.0509","0.036","","","0.0809","0.1006","","","","","","1.09","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069814","12.4956","0.0004","15.5587","0.0004","17.595","0.0005","90","","90","","90","","3420.74","0.17","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H37 Cl P2 Pd -","- C38 H37 Cl P2 Pd -","- C152 H148 Cl4 P8 Pd4 -","4","1","","Ding, Yi; Chiang, Minyi; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Synthesis, Coordination Characteristics, Conformational Behavior, and Bond Reactivity Studies of a Novel Chiral Phosphapalladacycle Complex","Organometallics","2009","28","15","4358","","10.1021/om900423f","","","0.71073","MoKα","","0.0794","0.0545","","","0.1059","0.1343","","","","","","1.153","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069831","5.9833","0.0012","10.122","0.002","22.51","0.005","90","","90","","90","","1363.3","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Fe O P -","- C14 H19 Fe O P -","- C56 H76 Fe4 O4 P4 -","4","1","","Jung, Lin-Ying; Tsai, Shih-Hung; Hong, Fung-E","Application of Tautomerism of Ferrocenyl Secondary Phosphine Oxides in Suzuki−Miyaura Cross-Coupling Reactions","Organometallics","2009","28","20","6044","","10.1021/om900435y","","","0.71073","MoKα","","0.0352","0.0298","","","0.0843","0.0893","","","","","","0.871","","","","has coordinates","178587","2020-10-21","18:00:00",""
"4069918","11.001","0.0017","13.832","0.002","16.716","0.003","90","","90","","90","","2543.6","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H34 B10 Cl2 O3 Zr -","- C14 H34 B10 Cl2 O3 Zr -","- C56 H136 B40 Cl8 O12 Zr4 -","4","1","","Ren, Shikuo; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Zirconium−Carboryne Complexes","Organometallics","2009","28","19","5749","","10.1021/om900504g","","","0.71073","MoKα","","0.0551","0.0384","","","0.0881","0.098","","","","","","1.037","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4069919","12.3832","0.0019","16.059","0.003","20.427","0.003","90","","90","","90","","4062.2","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H66 B10 N6 Zr -","- C28 H66 B10 N6 Zr -","- C112 H264 B40 N24 Zr4 -","4","1","","Ren, Shikuo; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Zirconium−Carboryne Complexes","Organometallics","2009","28","19","5749","","10.1021/om900504g","","","0.71073","MoKα","","0.1428","0.0569","","","0.1296","0.1724","","","","","","0.998","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4069924","11.927","0.002","20.208","0.004","23.619","0.004","90","","90","","90","","5692.7","1.8","113.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H64 Ge4 P2 Pt -","- C61 H64 Ge4 P2 Pt -","- C244 H256 Ge16 P8 Pt4 -","4","1","","Tanabe, Makoto; Hanzawa, Masaya; Ishikawa, Naoko; Osakada, Kohtaro","Formation and Ring Expansion of Germaplatinacycles via Dehydrogenative Ge−Ge and Ge−Pt Bond-Forming Reactions","Organometallics","2009","28","20","6014","","10.1021/om900505k","","","0.7107","MoKα","","0.0293","0.0273","","","0.0479","0.0487","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4069953","9.207","0.0003","11.1969","0.0004","23.6013","0.0008","90","","90","","90","","2433.05","0.14","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 As Cl N Pt -","- C26 H29 As Cl N Pt -","- C104 H116 As4 Cl4 N4 Pt4 -","4","1","","Ma, Mengtao; Pullarkat, Sumod A.; Yuan, Mingjun; Zhang, Na; Li, Yongxin; Leung, Pak-Hing","Metal Effects on the Asymmetric Cycloaddition Reaction between 3,4-Dimethyl-1-phenylarsole and Diphenylvinylphosphine Oxide","Organometallics","2009","28","16","4886","","10.1021/om900530q","","","0.71073","MoKα","","0.0258","0.0195","","","0.0463","0.0624","","","","","","1.198","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4069972","8.2387","0.0003","12.2496","0.0005","22.5374","0.0007","90","","90","","90","","2274.49","0.14","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O -","- C26 H29 N O -","- C104 H116 N4 O4 -","4","1","","Enk, Barbara; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Bildstein, Benno","An Efficient, Modular Route to New 2-Acyl-6-aminopentafulvenes and Planar-Chiral [N,O]-Functionalized Pentamethylruthenocenes","Organometallics","2009","28","18","5575","","10.1021/om900549c","","","0.71073","MoKα","","0.0474","0.0391","","","0.0957","0.1003","","","","","","1.047","","","","has coordinates","178588","2020-10-21","18:00:00",""
"4070047","8.762","0.0018","11.357","0.002","21.307","0.004","90","","90","","90","","2120.3","0.7","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 Cl N O2 Rh Si -","- C17 H31 Cl N O2 Rh Si -","- C68 H124 Cl4 N4 O8 Rh4 Si4 -","4","1","","Falgner, Steffen; Burschka, Christian; Wagner, Stephan; Böhm, Andreas; Daiss, Jürgen O.; Tacke, Reinhold","Asymmetric Synthesis of the Nonproteinogenic Silicon-Containing α-Amino Acids (R)- and (S)-α-[(Trimethylsilyl)methyl]alanine","Organometallics","2009","28","20","6059","6066","10.1021/om900583d","","","0.71073","MoKα","","0.0186","0.0179","","","0.0478","0.0483","","","","","","1.081","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070052","10.2693","0.0004","18.0459","0.0008","25.1613","0.0011","90","","90","","90","","4662.9","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43.5 H45 Cl4 N O5 P2 Pt -","- C43.5 H45 Cl4 N O5 P2 Pt -","- C174 H180 Cl16 N4 O20 P8 Pt4 -","4","1","","Liu, Fengli; Pullarkat, Sumod A.; Tan, Kien-Wee; Li, Yongxin; Leung, Pak-Hing","Enantioselective Diels−Alder Reaction of 3-Diphenylphosphinofuran with 1-Phenyl-3,4-dimethylphosphole and Subsequent Synthetic Manipulations of the Cycloadduct","Organometallics","2009","28","21","6254","","10.1021/om900586q","","","0.71073","MoKα","","0.0529","0.0363","","","0.0706","0.0751","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070053","9.8151","0.0003","12.5262","0.0004","22.0264","0.0007","90","","90","","90","","2708.06","0.15","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl2 O P2 Pt -","- C28 H26 Cl2 O P2 Pt -","- C112 H104 Cl8 O4 P8 Pt4 -","4","1","","Liu, Fengli; Pullarkat, Sumod A.; Tan, Kien-Wee; Li, Yongxin; Leung, Pak-Hing","Enantioselective Diels−Alder Reaction of 3-Diphenylphosphinofuran with 1-Phenyl-3,4-dimethylphosphole and Subsequent Synthetic Manipulations of the Cycloadduct","Organometallics","2009","28","21","6254","","10.1021/om900586q","","","0.71073","MoKα","","0.021","0.0166","","","0.0289","0.0297","","","","","","0.964","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070054","13.6338","0.0005","14.5439","0.0005","17.8652","0.0007","90","","90","","90","","3542.5","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl8 O2 P2 Pt -","- C30 H30 Cl8 O2 P2 Pt -","- C120 H120 Cl32 O8 P8 Pt4 -","4","1","","Liu, Fengli; Pullarkat, Sumod A.; Tan, Kien-Wee; Li, Yongxin; Leung, Pak-Hing","Enantioselective Diels−Alder Reaction of 3-Diphenylphosphinofuran with 1-Phenyl-3,4-dimethylphosphole and Subsequent Synthetic Manipulations of the Cycloadduct","Organometallics","2009","28","21","6254","","10.1021/om900586q","","","0.71073","MoKα","","0.0461","0.0368","","","0.0975","0.1075","","","","","","1.04","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070055","12.3171","0.0002","14.4668","0.0002","18.6833","0.0003","90","","90","","90","","3329.16","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 I2 O3 P2 Pt -","- C35 H32 I2 O3 P2 Pt -","- C140 H128 I8 O12 P8 Pt4 -","4","1","","Liu, Fengli; Pullarkat, Sumod A.; Tan, Kien-Wee; Li, Yongxin; Leung, Pak-Hing","Enantioselective Diels−Alder Reaction of 3-Diphenylphosphinofuran with 1-Phenyl-3,4-dimethylphosphole and Subsequent Synthetic Manipulations of the Cycloadduct","Organometallics","2009","28","21","6254","","10.1021/om900586q","","","0.71073","MoKα","","0.0407","0.0293","","","0.0637","0.0826","","","","","","1.023","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070098","9.9351","0.0008","11.5379","0.0011","32.773","0.003","90","","90","","90","","3756.8","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H62 P4 Ru -","- C36 H62 P4 Ru -","- C144 H248 P16 Ru4 -","4","1","","Field, Leslie D.; Magill, Alison M.; Bhadbhade, Mohan M.; Dalgarno, Scott J.","Formation of Ruthenaindenes by Cyclometalation of Ruthenium(II) Diarylbutenyne Complexes","Organometallics","2009","28","18","5514","","10.1021/om900613y","","","0.71073","MoKα","","0.0361","0.0304","","","0.0548","0.0567","","","","","","1.028","","","","has coordinates","178589","2020-10-21","18:00:00",""
"4070165","12.9203","0.0002","17.8659","0.0003","24.7718","0.0004","90","","90","","90","","5718.14","0.16","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H43 B F24 N2 Ru -","- C59 H43 B F24 N2 Ru -","- C236 H172 B4 F96 N8 Ru4 -","4","1","","Moreno, Aitor; Pregosin, Paul S.; Laurenczy, Gábor; Phillips, Andrew D.; Dyson, Paul J.","Influence of Ion Pairing on Styrene Hydrogenation Using a Cationic η6-Arene β-Diketiminato−Ruthenium Complex","Organometallics","2009","28","22","6432","","10.1021/om900634s","","","0.71073","MoKα","","0.0346","0.0294","","","0.0707","0.0765","","","","","","1.074","","","","has coordinates,has disorder","178590","2020-10-21","18:00:00",""
"4070204","8.9205","0.0011","19.959","0.002","23.203","0.003","90","","90","","90","","4131.2","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H70 Cl2 O Os P2 -","- C39 H70 Cl2 O Os P2 -","- C156 H280 Cl8 O4 Os4 P8 -","4","1","","Buil, María L.; Esteruelas, Miguel A.; Garcés, Karin; Oñate, Enrique","Osmium−Alkenylcarbyne and −Alkenylcarbene Complexes with an Steroid Skeleton: Formation of a Testosterone Organometallic Derivative Containing the 7H-Amino Adenine Tautomer","Organometallics","2009","28","19","5691","","10.1021/om900647a","","","0.71073","MoKα","","0.0312","0.0269","","","0.0551","0.0563","","","","","","1.025","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070209","10.033","0.003","13.649","0.006","14.624","0.006","90","","90","","90","","2002.6","1.3","173","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 F5 Ir N3 -","- C18 H23 F5 Ir N3 -","- C72 H92 F20 Ir4 N12 -","4","1","","Yuan, Jian; Hughes, Russell P.; Rheingold, Arnold L.","A Monomeric Perfluoroalkyl Iridium(III) Amido Complex with an Ir═N Double Bond and Its Reactions To Activate sp3Carbon−Hydrogen Bonds at Room Temperature","Organometallics","2009","28","16","4646","","10.1021/om900657f","","","0.71073","MoKα","","0.0195","0.019","","","0.0443","0.0446","","","","","","1.052","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070273","11.203","0.009","12.097","0.01","23.821","0.019","90","","90","","90","","3228","5","124","2","124","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C23 H51 Cr F3 N2 O3 P2 S Si -","- C23 H51 Cr F3 N2 O3 P2 S Si -","- C92 H204 Cr4 F12 N8 O12 P8 S4 Si4 -","4","1","","Rozenel, Sergio S.; Chomitz, Wayne A.; Arnold, John","Chromium Complexes Supported by the Multidentate Monoanionic N2P2Ligand: Reduction Chemistry and Reactivity with Ethylene","Organometallics","2009","28","21","6243","","10.1021/om900695s","","","0.71073","MoKα","","0.1347","0.0747","","","0.1687","0.1999","","","","","","1.013","","","","has coordinates,has disorder","178591","2020-10-21","18:00:00",""
"4070282","8.2983","0.0006","10.1408","0.0007","28.891","0.002","90","","90","","90","","2431.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Pd(eta3-2-MeC3H4)(py-2-CH=NC6H4(iPr)2-2,6)][PF6]","","","- C22 H29 F6 N2 P Pd -","- C22 H29 F6 N2 P Pd -","- C88 H116 F24 N8 P4 Pd4 -","4","1","","Moreno, Aitor; Pregosin, Paul S.; Fuentes, Beatriz; Veiros, Luis F.; Albinati, Alberto; Rizzato, Silvia","Ion Pairing and Allyl Dynamics in a Series of [Pd(η3-allyl)(N,N-chelate)](anion) Salts. On the Influence of the BPh4−Anion","Organometallics","2009","28","22","6489","","10.1021/om900697e","","","0.71073","MoKα","","0.0281","0.026","","","0.0584","0.0597","","","","","","1.022","","","","has coordinates,has disorder","178591","2020-10-21","18:00:00",""
"4070292","11.0906","0.0006","12.0344","0.0007","14.134","0.0011","90","","90","","90","","1886.4","0.2","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","3b","","","- C20 H16 Cl Fe Ir N2 O2 -","- C20 H16 Cl Fe Ir N2 O2 -","- C80 H64 Cl4 Fe4 Ir4 N8 O8 -","4","1","","Rosen, Evelyn L.; Varnado, C. Daniel; Tennyson, Andrew G.; Khramov, Dimitri M.; Kamplain, Justin W.; Sung, Daphne H.; Cresswell, Philip T.; Lynch, Vincent M.; Bielawski, Christopher W.","Redox-Active N-Heterocyclic Carbenes: Design, Synthesis, and Evaluation of Their Electronic Properties","Organometallics","2009","28","23","6695","","10.1021/om900698x","","","0.7107","MoKα","","0.0262","0.023","","","0.0436","0.0445","","","","","","1.065","","","","has coordinates","178591","2020-10-21","18:00:00",""
"4070304","10.1882","0.0016","19.297","0.003","21.401","0.003","90","","90","","90","","4207.5","1.1","163","","163","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 Lu O P Pt Si3 -","- C38 H66 Lu O P Pt Si3 -","- C152 H264 Lu4 O4 P4 Pt4 Si12 -","4","1","","Nakajima, Yumiko; Hou, Zhaomin","Rare-Earth-Metal/Platinum Heterobinuclear Complexes Containing Reactive Ln-alkyl groups (Ln = Y, Lu): Synthesis, Structural Characterization, and Reactivity","Organometallics","2009","28","24","6861","","10.1021/om900702y","","","0.71073","MoKα","","0.0989","0.0478","","","0.063","0.0732","","","","","","0.641","","","","has coordinates,has disorder","178592","2020-10-21","18:00:00",""
"4070362","9.846","0.0001","17.321","0.0001","24.224","0.0002","90","","90","","90","","4131.22","0.06","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H67 Cl N6 O Ru -","- C40 H66.8 Cl N6 O Ru -","- C160 H267.2 Cl4 N24 O4 Ru4 -","4","1","","Burling, Suzanne; Mas-Marzá, Elena; Valpuesta, José E. V.; Mahon, Mary F.; Whittlesey, Michael K.","Coordination, Agostic Stabilization, and C−H Bond Activation of N-Alkyl Heterocyclic Carbenes by Coordinatively Unsaturated Ruthenium Hydride Chloride Complexes","Organometallics","2009","28","23","6676","","10.1021/om9007532","","","0.71073","MoKα","","0.0308","0.0266","","","0.0615","0.0635","","","","","","1.057","","","","has coordinates,has disorder","178592","2020-10-21","18:00:00",""
"4070388","10.134","0.0002","16.4739","0.0006","17.1019","0.0006","90","","90","","90","","2855.1","0.15","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F12 N6 Ni P2 -","- C22 H26 F12 N6 Ni P2 -","- C88 H104 F48 N24 Ni4 P8 -","4","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Transmetalation of a Primary Amino-Functionalized N-Heterocyclic Carbene Ligand from an Axially Chiral Square-Planar Nickel(II) Complex to a Ruthenium(II) Precatalyst for the Transfer Hydrogenation of Ketones","Organometallics","2009","28","23","6755","","10.1021/om9007746","","","0.71073","MoKα","","0.1206","0.0664","","","0.1542","0.1851","","","","","","1.029","","","","has coordinates","287926","2023-12-01","07:54:24",""
"4070423","8.292","0.004","15.249","0.008","19.409","0.009","90","","90","","90","","2454","2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl2 In O -","- C24 H25 Cl2 In O -","- C96 H100 Cl8 In4 O4 -","4","1","","Ahmad, S. Usman; Beckmann, Jens","Synthesis and Structure of Polynuclear Indoxanes and Thalloxanes Containing Bulkym-Terphenyl Substituents","Organometallics","2009","28","24","6893","","10.1021/om9007967","","","0.71073","MoKα","","0.065","0.0528","","","0.1241","0.1304","","","","","","0.956","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070437","9.644","0.002","13.3646","0.0003","14.971","0.002","90","","90","","90","","1929.6","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 Cl2 N2 Si Ti -","- C15 H28 Cl2 N2 Si Ti -","- C60 H112 Cl8 N8 Si4 Ti4 -","4","1","","Paniagua, Cristina; Mosquera, Marta E. G.; Jacobsen, Heiko; Jiménez, Gerardo; Cuenca, Tomás","M−Cl/Si−Cl Preferential Reactivity in Chlorosilyl-Substituted Cyclopentadienyl Early Transition Metal Complexes in Reactions with Amines: Key to Understanding the Nature of the Final Product","Organometallics","2009","28","24","6975","","10.1021/om9008026","","","0.71073","MoKα","","0.0762","0.0542","","","0.1071","0.1158","","","","","","1.149","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070453","9.9382","0.0004","13.1119","0.0005","22.4446","0.0009","90","","90","","90","","2924.7","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","cis/trans-Fe(PNPClpym-iPr)(CO)Br2.THF, (6b/7b.THF)","","","- C21 H39 Br2 Cl Fe N4 O2 P2 -","- C21 H39 Br2 Cl Fe N4 O2 P2 -","- C84 H156 Br8 Cl4 Fe4 N16 O8 P8 -","4","1","","Benito-Garagorri, David; Alves, Luis Gonçalo; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Kirchner, Karl","Striking Differences between the Solution and Solid-State Reactivity of Iron PNP Pincer Complexes with Carbon Monoxide","Organometallics","2009","28","24","6902","","10.1021/om900816c","","","0.71073","MoKα","","0.0496","0.0465","","","0.1182","0.1195","","","","","","1.043","","","","has coordinates,has disorder","178593","2020-10-21","18:00:00",""
"4070474","4.5955","0.0005","12.043","0.001","22.385","0.002","90","","90","","90","","1238.9","0.2","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Au Cl N2 O2 -","- C11 H14 Au Cl N2 O2 -","- C44 H56 Au4 Cl4 N8 O8 -","4","1","","Cinellu, Maria A.; Maiore, Laura; Minghetti, Giovanni; Cocco, Fabio; Stoccoro, Sergio; Zucca, Antonio; Manassero, Mario; Manassero, Carlo","Gold(III) Adducts with Chiral Pyridinyl-Oxazolines. Synthesis, Reactivity of the Coordinated Ligands, and Structural Characterizations","Organometallics","2009","28","24","7015","","10.1021/om900841b","","","0.71073","Mo-Kα","","0.098","0.098","","","0.114","","","","0.96","0.96","0.96","","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4070528","11.1598","0.0002","14.9046","0.0002","29.3635","0.0004","90","","90","","90","","4884.1","0.13","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H48 I P3 Ru -","- C62 H48 I P3 Ru -","- C248 H192 I4 P12 Ru4 -","4","1","","Zhao, Xiaoxi; Ivanova, Nina; Hadzovic, Alen; Zimmer-De Iuliis, Marco; Lough, Alan J.; Morris, Robert H.","Use of an Iodide-Modified Merrifield Resin in the Synthesis of Ruthenium Hydride Complexes. The Structure of RuHI((R)-binap)(PPh3)","Organometallics","2008","27","4","503","","10.1021/om700360r","","","0.71073","MoKα","","0.0732","0.0433","","","0.0864","0.0992","","","","","","1.038","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070550","13.554","0.003","19.352","0.004","20.878","0.004","90","","90","","90","","5476","2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H84 Fe2 K N4 Sc Si4 -","- C51 H84 Fe2 K N4 Sc Si4 -","- C204 H336 Fe8 K4 N16 Sc4 Si16 -","4","1","","Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.","Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand","Organometallics","2008","27","3","363","","10.1021/om7007277","","","0.71073","MoKα","","0.0848","0.0538","","","0.1035","0.1178","","","","","","1.038","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070689","14.5583","0.0008","20.1309","0.0011","26.9433","0.0015","90","","90","","90","","7896.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84 H106 Br2 N6 O3 Pd2 -","- C84 H106 Br2 N6 O3 Pd2 -","- C336 H424 Br8 N24 O12 Pd8 -","4","1","","Dyson, Gavin; Frison, Jean-Cédric; Simonovic, Stevan; Whitwood, Adrian C.; Douthwaite, Richard E.","Synthesis and Structural Variation of Iron, Rhodium, Palladium, and Silver Complexes of a Chiral N-Heterocyclic Carbene−Phenoxyimine Hybrid Ligand","Organometallics","2008","27","2","281","","10.1021/om7009478","","","0.71073","MoKα","","0.0554","0.0511","","","0.1292","0.1323","","","","","","1.027","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070690","12.786","0.003","16.419","0.003","18.434","0.004","90","","90","","90","","3869.9","1.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H57 Cl N3 O Rh -","- C41 H57 Cl N3 O Rh -","- C164 H228 Cl4 N12 O4 Rh4 -","4","1","","Dyson, Gavin; Frison, Jean-Cédric; Simonovic, Stevan; Whitwood, Adrian C.; Douthwaite, Richard E.","Synthesis and Structural Variation of Iron, Rhodium, Palladium, and Silver Complexes of a Chiral N-Heterocyclic Carbene−Phenoxyimine Hybrid Ligand","Organometallics","2008","27","2","281","","10.1021/om7009478","","","0.71073","MoKα","","0.0448","0.0342","","","0.0656","0.0689","","","","","","1.016","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070691","16.8959","0.0014","18.3946","0.0016","23.265","0.002","90","","90","","90","","7230.6","1.1","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H96 Ag2 Br2 Fe N6 O2 -","- C73 H96 Ag2 Br2 Fe N6 O2 -","- C292 H384 Ag8 Br8 Fe4 N24 O8 -","4","1","","Dyson, Gavin; Frison, Jean-Cédric; Simonovic, Stevan; Whitwood, Adrian C.; Douthwaite, Richard E.","Synthesis and Structural Variation of Iron, Rhodium, Palladium, and Silver Complexes of a Chiral N-Heterocyclic Carbene−Phenoxyimine Hybrid Ligand","Organometallics","2008","27","2","281","","10.1021/om7009478","","","0.71073","MoKα","","0.0578","0.0418","","","0.0876","0.094","","","","","","1.056","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070744","9.1514","0.0007","11.6274","0.0009","14.5092","0.0011","90","","90","","90","","1543.9","0.2","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","07118","","","- C12 H15 B Bi Cl2 F O2 -","- C12 H15 B Bi Cl2 F O2 -","- C48 H60 B4 Bi4 Cl8 F4 O8 -","4","1","","Caires, Christopher C.; Guccione, Samira","Synthesis, Structure, and Reactivity of Borate Ester Coordinated Organobismuth Compounds","Organometallics","2008","27","4","747","","10.1021/om7009792","","","0.71073","MoKα","","0.0222","0.0183","","","0.0345","0.0356","","","","","","0.903","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070746","9.4733","0.0006","13.9288","0.0008","37.941","0.002","90","","90","","90","","5006.4","0.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","07206","","","- C24 H25 B Bi Cl2 F O2 -","- C24 H25 B Bi Cl2 F O2 -","- C192 H200 B8 Bi8 Cl16 F8 O16 -","8","2","","Caires, Christopher C.; Guccione, Samira","Synthesis, Structure, and Reactivity of Borate Ester Coordinated Organobismuth Compounds","Organometallics","2008","27","4","747","","10.1021/om7009792","","","0.71073","MoKα","","0.0366","0.0263","","","0.0526","0.0559","","","","","","1.023","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070771","13.0031","0.0004","18.1724","0.0006","20.0288","0.0007","90","","90","","90","","4732.8","0.3","295","2","568","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cl Ir N2 O2 -","- C25 H32 Cl Ir N2 O2 -","- C200 H256 Cl8 Ir8 N16 O16 -","8","2","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0279","0.0255","","","0.0701","0.0726","","","","","","1.053","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070803","8.8307","0.0011","13.1779","0.0015","30.571","0.004","90","","90","","90","","3557.5","0.8","115","2","115","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Resolved Pd bis(ADC) dibromide","","","- C34 H36 Br2 F6 N4 O2 Pd -","- C34 H36 Br2 F6 N4 O2 Pd -","- C136 H144 Br8 F24 N16 O8 Pd4 -","4","1","","Wanniarachchi, Yoshitha A.; Kogiso, Yuri; Slaughter, LeGrande M.","Chiral Palladium Bis(acyclic diaminocarbene) Complexes as Enantioselective Catalysts for the Aza-Claisen Rearrangement","Organometallics","2008","27","1","21","","10.1021/om701029j","","x-ray","0.71073","MoKα","","0.0382","0.0324","","","0.0743","0.0766","","","","","","1.082","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070827","11.515","0.002","21.46","0.004","24.2","0.005","90","","90","","90","","5980","2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C67 H70 N7 Si2 Sm -","- C67 H70 N7 Si2 Sm -","- C268 H280 N28 Si8 Sm4 -","4","1","","Zi, Guofu; Xiang, Li; Song, Haibin","Enantioselective Hydroamination/Cyclization Catalyzed by Organolanthanide Amides Derived from a New Chiral Ligand, (S)-2-(Pyrrol-2-ylmethyleneamino)-2′-(dimethylamino)-1,1′-binaphthyl","Organometallics","2008","27","6","1242","","10.1021/om701058k","","","0.7107","MoKα","","0.0345","0.0321","","","0.0681","0.0693","","","","","","1.067","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070828","11.4444","0.001","21.5082","0.0016","24.216","0.002","90","","90","","90","","5960.7","0.8","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C67 H70 N7 Si2 Y -","- C67 H70 N7 Si2 Y -","- C268 H280 N28 Si8 Y4 -","4","1","","Zi, Guofu; Xiang, Li; Song, Haibin","Enantioselective Hydroamination/Cyclization Catalyzed by Organolanthanide Amides Derived from a New Chiral Ligand, (S)-2-(Pyrrol-2-ylmethyleneamino)-2′-(dimethylamino)-1,1′-binaphthyl","Organometallics","2008","27","6","1242","","10.1021/om701058k","","","0.7107","MoKα","","0.0717","0.0656","","","0.1113","0.1135","","","","","","1.203","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070829","11.4379","0.0003","21.5061","0.0005","24.2427","0.0007","90","","90","","90","","5963.3","0.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C67 H70 N7 Si2 Yb -","- C67 H70 N7 Si2 Yb -","- C268 H280 N28 Si8 Yb4 -","4","1","","Zi, Guofu; Xiang, Li; Song, Haibin","Enantioselective Hydroamination/Cyclization Catalyzed by Organolanthanide Amides Derived from a New Chiral Ligand, (S)-2-(Pyrrol-2-ylmethyleneamino)-2′-(dimethylamino)-1,1′-binaphthyl","Organometallics","2008","27","6","1242","","10.1021/om701058k","","","0.7107","MoKα","","0.0478","0.0412","","","0.0771","0.0799","","","","","","1.036","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070844","11.396","0.005","13.801","0.006","21.64","0.009","90","","90","","90","","3403","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H62 N2 Os P2 -","- C31 H62 N2 Os P2 -","- C124 H248 N8 Os4 P8 -","4","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Puerta, Marta","Abnormal and Normal N-Heterocyclic Carbene Osmium Polyhydride Complexes Obtained by Direct Metalation of Imidazolium Salts","Organometallics","2008","27","3","445","","10.1021/om7010722","","","0.71073","MoKα","","0.1171","0.064","","","0.0887","0.1037","","","","","","0.856","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070883","12.3737","0.0004","26.457","0.0007","29.0299","0.001","90","","90","","90","","9503.5","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","yw241 (R,Rp)-1f","","","- C95 H63 Cl7 F30 Fe2 P4 Pd2 -","- C95 H63 Cl7 F30 Fe2 P4 Pd2 -","- C380 H252 Cl28 F120 Fe8 P16 Pd8 -","4","1","","Wang, Yaping; Sturm, Thomas; Steurer, Marianne; Arion, Vladimir B.; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Use in Asymmetric Hydrogenations of Walphos-Type Ligands","Organometallics","2008","27","6","1119","","10.1021/om701103d","","","0.71073","MoKα","","0.0537","0.0418","","","0.0946","0.1012","","","","","","1.021","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070884","10.4499","0.0004","23.0779","0.0011","24.5543","0.0011","90","","90","","90","","5921.6","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","yw242 (R,Rp)-1i","","","- C51 H39 Cl11 F12 Fe O2 P2 Pd -","- C51 H39 Cl11 F12 Fe O2 P2 Pd -","- C204 H156 Cl44 F48 Fe4 O8 P8 Pd4 -","4","1","","Wang, Yaping; Sturm, Thomas; Steurer, Marianne; Arion, Vladimir B.; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Use in Asymmetric Hydrogenations of Walphos-Type Ligands","Organometallics","2008","27","6","1119","","10.1021/om701103d","","","0.71073","MoKα","","0.0451","0.0363","","","0.0771","0.0808","","","","","","1.032","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070885","9.433","0.004","12.543","0.005","17.474","0.007","90","","90","","90","","2067.5","1.5","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound (R,R~p~)-3A(HI)","(R,Sp)-2-(2-bromophenyl)-1-[1-(N,N-dimethylamino)ethyl]-ferrocene hydroiodide","","- C20 H23 Br Fe I N -","- C20 H23 Br Fe I N -","- C80 H92 Br4 Fe4 I4 N4 -","4","1","","Wang, Yaping; Sturm, Thomas; Steurer, Marianne; Arion, Vladimir B.; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Use in Asymmetric Hydrogenations of Walphos-Type Ligands","Organometallics","2008","27","6","1119","","10.1021/om701103d","","","0.71073","MoKα","","0.0353","0.0288","","","0.0732","0.0762","","","","","","1.04","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070908","10.7012","0.0014","10.8019","0.0014","22.171","0.003","90","","90","","90","","2562.8","0.6","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 Cr O4 Si -","- C28 H34 Cr O4 Si -","- C112 H136 Cr4 O16 Si4 -","4","1","","Paramahamsan, Harinandini; Pearson, Anthony J.; Pinkerton, A. Alan; Zhurova, Elizabeth A.","Toward an Understanding of 1,5-Asymmetric Induction during Nucleophilic Addition to (Arene)chromium Tricarbonyl Complexes: Conformational Preference of the Chromium Tricarbonyl Tripod for Transmission of Chirality","Organometallics","2008","27","5","900","","10.1021/om701117r","","","0.71073","MoKα","","0.0707","0.0392","","","0.0579","0.0632","","","","","","0.898","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070941","7.663","0.0018","19.375","0.005","21.757","0.007","90","","90","","90","","3230.3","1.5","298","2","298","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 N2 Ni P3 -","- C36 H33 N2 Ni P3 -","- C144 H132 N8 Ni4 P12 -","4","1","","Acosta-Ramírez, Alberto; Flores-Álamo, Marcos; Jones, William D.; García, Juventino J.","P−C Bond Scission at the TRIPHOS Ligand and C−CN Bond Cleavage in 2-Methyl-3-butenenitrile with [Ni(COD)2]","Organometallics","2008","27","8","1834","","10.1021/om7011425","","x-ray","0.71073","MoKα","","0.0797","0.0482","","","0.0925","0.1051","","","","","","1.035","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070984","12.693","0.0002","13.031","0.0002","15.808","0.0003","90","","90","","90","","2614.68","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cr N O7 -","- C28 H23 Cr N O7 -","- C112 H92 Cr4 N4 O28 -","4","1","","Meca, Luděk; Císařová, Ivana; Drahoňovský, Dušan; Dvořák, Dalimil","Enantiomerically Pure Axially Chiral Aminocarbene Complexes of Chromium","Organometallics","2008","27","8","1850","","10.1021/om701188p","","","0.71073","MoKα","","0.0678","0.0498","","","0.1281","0.1414","","","","","","1.023","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070989","15.269","0.003","17.846","0.004","18.96","0.004","90","","90","","90","","5166.4","1.9","100","2","100","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H86 Ca2 N2 O4 Si4 -","- C40 H86 Ca2 N2 O4 Si4 -","- C160 H344 Ca8 N8 O16 Si16 -","4","1","","He, Xuyang; Hurley, Erin; Noll, Bruce C.; Henderson, Kenneth W.","Regio- and Stereoselective Enolizations Using Calcium Bis(hexamethyldisilazide) as a Base: Synthetic, Solid-State, and Solution Studies","Organometallics","2008","27","13","3094","","10.1021/om7011908","","x-ray","0.71073","MoKα","","0.0645","0.0532","","","0.1409","0.1494","","","","","","1.04","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4071041","13.052","0.0004","13.841","0.0005","14.526","0.0006","90","","90","","90","","2624.16","0.16","131","2","131","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","smkvi5","smkvi5","","- C24 H46 N P2 Rh -","- C24 H46 N P2 Rh -","- C96 H184 N4 P8 Rh4 -","4","1","","Hanson, Susan Kloek; Heinekey, D. Michael; Goldberg, Karen I.","C−H Bond Activation by Rhodium(I) Phenoxide and Acetate Complexes: Mechanism of H−D Exchange between Arenes and Water","Organometallics","2008","27","7","1454","","10.1021/om7012259","","","0.71073","MoKα","","0.1108","0.0531","","","0.1072","0.1277","","","","","","0.961","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071088","9.717","0.001","14.296","0.001","16.165","0.001","90","","90","","90","","2245.5","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 F6 Fe N2 P Pd -","- C19 H27 F6 Fe N2 P Pd -","- C76 H108 F24 Fe4 N8 P4 Pd4 -","4","1","","Pérez, Sonia; López, Concepción; Bosque, Ramon; Solans, Xavier; Font-Bardía, Mercè; Roig, Anna; Molins, Elies; van Leeuwen, Piet W. N. M.; van Strijdonck, Gino P. F.; Freixa, Zoraida","Chelate-Size Effects on the Structures, Chemical Behavior, Properties, and Catalytic Activity of the New Palladium(II)−Allyl Complexes [Pd(η3-1-R1-C3H4){FcCHN-CH2-(CH2)n-NMe2}][PF6] {Fc = (η5-C5H5)Fe(η5-C5H4),n= 2 or 1, and R1= H or Ph}","Organometallics","2008","27","17","4288","","10.1021/om7012452","","","0.71069","MoKα","","0.0545","0.0464","","","0.1359","0.1538","","","","","","1.18","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071098","10.554","0.002","13.15","0.001","23.409","0.004","90","","90","","90","","3248.8","0.9","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 Cl F6 N O3 P2 Ru -","- C30 H36 Cl F6 N O3 P2 Ru -","- C120 H144 Cl4 F24 N4 O12 P8 Ru4 -","4","1","","Weber, Immo; Heinemann, Frank W.; Bauer, Walter; Superchi, Stefano; Zahl, Achim; Richter, Daniela; Zenneck, Ulrich","Diastereoselective Routes to [Amino{σ(P):η6-(ansa-phosphinite)benzene}chlororuthenium(II)] PF6Salts: Kinetic versus Thermodynamic Preferences","Organometallics","2008","27","16","4116","","10.1021/om701257m","","","0.71073","MoKα","","0.062","0.0528","","","0.1084","0.1114","","","","","","1.173","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071100","9.3624","0.0014","19.378","0.004","21.286","0.004","90","","90","","90","","3861.8","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H49 O P3 Ru2 -","- C39 H49 O P3 Ru2 -","- C156 H196 O4 P12 Ru8 -","4","1","","Takemoto, Shin; Kimura, Yu; Kamikawa, Ken; Matsuzaka, Hiroyuki","P−H Bond Addition to a Dinuclear Ruthenium Imido Complex: Synthesis and Reactivity of an Amido Phosphido Complex","Organometallics","2008","27","8","1780","","10.1021/om701260y","","","0.71075","MoKα","","0.0315","0.028","","","0.0706","0.0725","","","","","","1.039","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071101","10.61","0.003","15.178","0.005","21.35","0.005","90","","90","","90","","3438.2","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H49 O2 P Ru2 -","- C37 H49 O2 P Ru2 -","- C148 H196 O8 P4 Ru8 -","4","1","","Takemoto, Shin; Kimura, Yu; Kamikawa, Ken; Matsuzaka, Hiroyuki","P−H Bond Addition to a Dinuclear Ruthenium Imido Complex: Synthesis and Reactivity of an Amido Phosphido Complex","Organometallics","2008","27","8","1780","","10.1021/om701260y","","","0.71075","MoKα","","0.028","0.0253","","","0.0594","0.0609","","","","","","1.036","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071113","9.4528","0.0012","12.0818","0.0009","21.7123","0.0017","90","","90","","90","","2479.7","0.4","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl Mn N2 O4 -","- C25 H28 Cl Mn N2 O4 -","- C100 H112 Cl4 Mn4 N8 O16 -","4","1","","Jacques, Béatrice; Eloi, Antoine; Chavarot-Kerlidou, Murielle; Rose-Munch, Françoise; Rose, Eric; Gérard, Hélène; Herson, Patrick","Unprecedented (η5-Formylcyclohexadienyl)Mn(CO)3Complexes: Synthesis, Structural and Theoretical Characterizations, and Resolution of the Planar Chirality","Organometallics","2008","27","11","2505","","10.1021/om7012666","","","0.71073","MoKα","","0.0318","0.0232","","0.0275","0.0259","0.0259","","","","","","1.0522","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071115","10.5344","0.0014","13.924","0.0008","16.439","0.002","90","","90","","90","","2411.3","0.5","250","","250","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Mn N2 O4 -","- C25 H29 Mn N2 O4 -","- C100 H116 Mn4 N8 O16 -","4","1","","Jacques, Béatrice; Eloi, Antoine; Chavarot-Kerlidou, Murielle; Rose-Munch, Françoise; Rose, Eric; Gérard, Hélène; Herson, Patrick","Unprecedented (η5-Formylcyclohexadienyl)Mn(CO)3Complexes: Synthesis, Structural and Theoretical Characterizations, and Resolution of the Planar Chirality","Organometallics","2008","27","11","2505","","10.1021/om7012666","","","0.71073","MoKα","","0.0543","0.0303","","0.048","0.0321","0.0321","","","","","","1.0998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071116","9.8482","0.0003","14.5816","0.0004","15.6829","0.0005","90","","90","","90","","2252.1","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Li Ni O2 -","- C25 H33 Li Ni O2 -","- C100 H132 Li4 Ni4 O8 -","4","1","","Buchalski, Piotr; Grabowska, Ilona; Kamińska, Elżbieta; Suwińska, Kinga","Synthesis and Structures of 9-Nickelafluorenyllithium Complexes","Organometallics","2008","27","10","2346","","10.1021/om701275u","","","0.71073","MoKα","","0.0604","0.0428","","","0.0727","0.0763","","","","","","1.028","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071137","9.325","0.0002","15.1222","0.0003","20.0419","0.0004","90","","90","","90","","2826.2","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Fe4 N O9 Te2 -","- C24 H17 Fe4 N O9 Te2 -","- C96 H68 Fe16 N4 O36 Te8 -","4","1","","Mathur, Pradeep; Singh, Amrendra K.; Mohanty, Jamini R.; Chatterjee, Saurav; Mobin, Shaikh M.","Formation of N-Methylated Cyclic Ligand Systems from Unusual Reactions between TrimethylamineN-Oxide and Acetylenes on Fe3Te2(CO)9and Contrast with Reactions on Fe3E2(CO)9(E = S, Se)","Organometallics","2008","27","19","5094","","10.1021/om701290c","","","0.71073","MoKα","","0.0176","0.0162","","","0.037","0.0381","","","","","","1.09","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071160","6.9891","0.0008","15.683","0.002","19.816","0.003","90","","90","","90","","2172","0.5","133","","133","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 Cl2 Sn -","- C20 H34 Cl2 Sn -","- C80 H136 Cl8 Sn4 -","4","1","","Beckmann, Jens; Duthie, Andrew; Grassmann, Marian; Semisch, Annetta","Optically Active Organotin Compounds Derived from β-Pinene. The Quest for Chiral Polystannanes†","Organometallics","2008","27","7","1495","","10.1021/om8000026","","","0.71073","MoKα","","0.0734","0.0428","","","0.0833","0.1062","","","","","","1","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071199","12.9822","0.0008","17.637","0.0011","18.8875","0.0012","90","","90","","90","","4324.6","0.5","100","1","100","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H70 N3 O Si2 Y -","- C39 H70 N3 O Si2 Y -","- C156 H280 N12 O4 Si8 Y4 -","4","1","","Ge, Shaozhong; Meetsma, Auke; Hessen, Bart","Highly Efficient Hydrosilylation of Alkenes by Organoyttrium Catalysts with Sterically Demanding Amidinate and Guanidinate Ligands","Organometallics","2008","27","13","3131","","10.1021/om800032g","","","0.71073","MoKα","","0.057","0.0399","","","0.0837","0.0906","","","","","","1.023","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071255","11.1708","0.0003","14.5431","0.0004","21.674","0.0006","90","","90","","90","","3521.12","0.17","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Pd(allyl)(1,2-eta-P*,kP)]SbF6 (3a)","","","- C39 H35 F6 N O2 P Pd Sb -","- C39 H35 F6 N O2 P Pd Sb -","- C156 H140 F24 N4 O8 P4 Pd4 Sb4 -","4","1","","Mikhel, Igor S.; Rüegger, Heinz; Butti, Pietro; Camponovo, Francesco; Huber, Dominik; Mezzetti, Antonio","A Chiral Phosphoramidite beyond Monodentate Coordination: Secondary π-Interactions Turn a Dangling Aryl into a Two-, Four-, or Six-Electron Donor in d6and d8Complexes","Organometallics","2008","27","13","2937","","10.1021/om800064r","","","0.71073","MoKα","","0.0213","0.0207","","","0.0542","0.0546","","","","","","1.035","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071256","9.052","0.0005","11.3595","0.0006","34.266","0.002","90","","90","","90","","3523.4","0.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[RhCl(NBD)(P*,kP)] (4a)","","","- C43 H38 Cl N O2 P Rh -","- C43 H38 Cl N O2 P Rh -","- C172 H152 Cl4 N4 O8 P4 Rh4 -","4","1","","Mikhel, Igor S.; Rüegger, Heinz; Butti, Pietro; Camponovo, Francesco; Huber, Dominik; Mezzetti, Antonio","A Chiral Phosphoramidite beyond Monodentate Coordination: Secondary π-Interactions Turn a Dangling Aryl into a Two-, Four-, or Six-Electron Donor in d6and d8Complexes","Organometallics","2008","27","13","2937","","10.1021/om800064r","","","0.71073","MoKα","","0.0301","0.0285","","","0.0678","0.0687","","","","","","1.066","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071257","12.052","0.0012","12.7854","0.0013","23.726","0.002","90","","90","","90","","3655.9","0.6","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[RhCl(COD)(P*,kP)] (4b)","","","- C44 H42 Cl N O2 P Rh -","- C44 H42 Cl N O2 P Rh -","- C176 H168 Cl4 N4 O8 P4 Rh4 -","4","1","","Mikhel, Igor S.; Rüegger, Heinz; Butti, Pietro; Camponovo, Francesco; Huber, Dominik; Mezzetti, Antonio","A Chiral Phosphoramidite beyond Monodentate Coordination: Secondary π-Interactions Turn a Dangling Aryl into a Two-, Four-, or Six-Electron Donor in d6and d8Complexes","Organometallics","2008","27","13","2937","","10.1021/om800064r","","","0.71073","MoKα","","0.037","0.034","","","0.0781","0.0794","","","","","","1.04","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071258","11.2449","0.0006","15.0329","0.0008","22.3759","0.0012","90","","90","","90","","3782.5","0.3","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Rh(NBD)(1,2-eta-P*,kP)]SbF6 (5a)","","","- C43 H38 F6 N O2 P Rh Sb -","- C43 H38 F6 N O2 P Rh Sb -","- C172 H152 F24 N4 O8 P4 Rh4 Sb4 -","4","1","","Mikhel, Igor S.; Rüegger, Heinz; Butti, Pietro; Camponovo, Francesco; Huber, Dominik; Mezzetti, Antonio","A Chiral Phosphoramidite beyond Monodentate Coordination: Secondary π-Interactions Turn a Dangling Aryl into a Two-, Four-, or Six-Electron Donor in d6and d8Complexes","Organometallics","2008","27","13","2937","","10.1021/om800064r","","","0.71073","MoKα","","0.0414","0.0374","","","0.0812","0.0832","","","","","","1.067","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071274","7.467","0.003","13.096","0.004","17.923","0.004","90","","90","","90","","1752.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Cl2 P Ru -","- C15 H25 Cl2 P Ru -","- C60 H100 Cl8 P4 Ru4 -","4","1","","Aznar, Rosario; Muller, Guillermo; Sainz, Daniel; Font-Bardia, Mercè; Solans, Xavier","Synthesis and Reactivity of P-Chiral Tethered (η1:η6-phosphinoarene)ruthenium Complexes","Organometallics","2008","27","9","1967","","10.1021/om800076x","","","0.71073","MoKα","","0.0316","0.0316","","","0.0864","0.0864","","","","","","1.178","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071356","11.557","0.004","11.913","0.004","20.31","0.007","90","","90","","90","","2796.3","1.7","193.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Cl3 Ir N -","- C30 H31 Cl3 Ir N -","- C120 H124 Cl12 Ir4 N4 -","4","1","","Arita, Sachiko; Koike, Takashi; Kayaki, Yoshihito; Ikariya, Takao","Synthesis and Reactivities of Cp*Ir Amide and Hydride Complexes Bearing C−N Chelate Ligands","Organometallics","2008","27","12","2795","","10.1021/om800124f","","","0.7107","MoKα","","","0.0414","","","","0.1037","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071400","12.45942","0.0001","15.52669","0.00014","15.69572","0.00014","90","","90","","90","","3036.39","0.05","150","","150","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 Br P2 Ru -","- C36 H33 Br P2 Ru -","- C144 H132 Br4 P8 Ru4 -","4","1","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)]","Organometallics","2008","27","14","3514","","10.1021/om800148r","","x-ray","1.5418","CuKα","","0.0208","0.0203","","","0.0526","0.0528","","","","","","1.046","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071402","12.5156","0.0003","15.5113","0.0004","15.8381","0.0005","90","","90","","90","","3074.7","0.15","150","","150","1","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 I P2 Ru -","- C36 H33 I P2 Ru -","- C144 H132 I4 P8 Ru4 -","4","1","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)]","Organometallics","2008","27","14","3514","","10.1021/om800148r","","x-ray","0.71073","MoKα","","0.0692","0.0385","","","0.0498","0.0543","","","","","","0.934","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071424","15.6035","0.0005","22.6982","0.0005","32.5487","0.0009","90","","90","","90","","11527.8","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C106 H136 Cl O25 P5 Sn5 -","- C106 H134 Cl O25 P5 Sn5 -","- C424 H536 Cl4 O100 P20 Sn20 -","4","1","","Murugavel, Ramaswamy; Shanmugan, Swaminathan","Asymmetric Pentameric and Tetrameric Organooxotin Clusters: Insights into Their Formation through Partial Dearylation","Organometallics","2008","27","12","2784","","10.1021/om800162s","","","0.71073","MoKα","","0.1013","0.0579","","","0.1242","0.1423","","","","","","0.984","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071425","15.7555","0.0002","22.6489","0.0003","32.587","0.0005","90","","90","","90","","11628.5","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C108 H140 Cl O25 P5 Sn5 -","- C108 H137 Cl O25 P5 Sn5 -","- C432 H548 Cl4 O100 P20 Sn20 -","4","1","","Murugavel, Ramaswamy; Shanmugan, Swaminathan","Asymmetric Pentameric and Tetrameric Organooxotin Clusters: Insights into Their Formation through Partial Dearylation","Organometallics","2008","27","12","2784","","10.1021/om800162s","","","0.71073","MoKα","","0.0711","0.0555","","","0.1276","0.1384","","","","","","1.113","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071456","11.2178","0.0004","14.2133","0.0004","16.9951","0.0006","90","","90","","90","","2709.73","0.16","243.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl2 N2 O V -","- C28 H33 Cl2 N2 O V -","- C112 H132 Cl8 N8 O4 V4 -","4","1","","Onishi, Yoshifumi; Katao, Shohei; Fujiki, Michiya; Nomura, Kotohiro","Synthesis and Structural Analysis of (Arylimido)vanadium(V) Complexes Containing Phenoxyimine Ligands: New, Efficient Catalyst Precursors for Ethylene Polymerization","Organometallics","2008","27","11","2590","","10.1021/om800177g","","","0.71075","MoKα","","","0.0293","","","","0.0594","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071462","8.3994","0.0006","10.519","0.0006","22.0339","0.0014","90","","90","","90","","1946.8","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dr Athanasia Dervisi","","- C23 H30 N2 -","- C23 H30 N2 -","- C92 H120 N8 -","4","1","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71073","MoKα","","0.1178","0.0819","","","0.1367","0.1542","","","","","","1.163","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071465","10.7457","0.0003","16.723","0.0005","17.9327","0.0006","90","","90","","90","","3222.51","0.17","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Ag Br Cl3 N2 -","- C29 H41 Ag Br Cl3 N2 -","- C116 H164 Ag4 Br4 Cl12 N8 -","4","1","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71073","MoKα","","0.0853","0.059","","0.1397","0.1251","0.1397","","","","","","0.9486","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071507","9.861","0.003","16.787","0.005","22.046","0.006","90","","90","","90","","3649.4","1.8","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H53 Cl2 N O2 Zr -","- C37 H53 Cl2 N O2 Zr -","- C148 H212 Cl8 N4 O8 Zr4 -","4","1","","Gott, Andrew L.; Clarke, Adam J.; Clarkson, Guy J.; Munslow, Ian J.; Wade, Andrew R.; Scott, Peter","Single Diastereomer Half-Sandwich Salicyloxazoline Complexes of Titanium and Zirconium","Organometallics","2008","27","12","2706","","10.1021/om8002027","","","0.71073","MoKα","","0.0778","0.0557","","","0.1311","0.1425","","","","","","1.047","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071513","12.8466","0.0011","12.9925","0.0011","13.6154","0.0011","90","","90","","90","","2272.5","0.3","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 F3 N3 O4 Pd S -","- C18 H28 F3 N3 O4 Pd S -","- C72 H112 F12 N12 O16 Pd4 S4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.0444","0.0313","","","0.0625","0.0662","","","","","","0.976","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071574","4.6146","0.0003","11.7364","0.0008","29.866","0.002","90","","90","","90","","1617.51","0.19","173","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 I N2 Pt -","- C16 H21 I N2 Pt -","- C64 H84 I4 N8 Pt4 -","4","1","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.0331","0.0301","","","0.0609","0.0616","","","","","","1.07","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071576","4.5846","0.0013","11.894","0.003","30.144","0.009","90","","90","","90","","1643.7","0.8","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F2 I N2 Pt -","- C16 H19 F2 I N2 Pt -","- C64 H76 F8 I4 N8 Pt4 -","4","1","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.0572","0.0453","","","0.075","0.0766","","","","","","1.001","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071625","12.7414","0.0002","12.7768","0.0002","15.1936","0.0002","90","","90","","90","","2473.43","0.06","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N P Pd S2 -","- C26 H21 Cl N P Pd S2 -","- C104 H84 Cl4 N4 P4 Pd4 S8 -","4","1","","Kozlov, V. A.; Aleksanyan, D. V.; Nelyubina, Yu. V.; Lyssenko, K. A.; Gutsul, E. I.; Puntus, L. N.; Vasil’ev, A. A.; Petrovskii, P. V.; Odinets, I. L.","Cyclopalladated Complexes of 3-Thiophosphorylbenzoic Acid Thioamides: Hybrid Pincer Ligands of a New Type. Synthesis, Catalytic Activity, and Photophysical Properties","Organometallics","2008","27","16","4062","","10.1021/om8002762","","","0.71073","MoKα","","0.0281","0.0219","","","0.0527","0.0611","","","","","","1.005","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071731","12.3804","0.0009","15.0022","0.0011","18.9812","0.0013","90","","90","","90","","3525.4","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H47 N P2 Ru -","- C41 H47 N P2 Ru -","- C164 H188 N4 P8 Ru4 -","4","1","","Derrah, Eric J.; Giesbrecht, Karina E.; McDonald, Robert; Rosenberg, Lisa","Ruthenated Acetonitrile: Unusual Brønsted Acidity of a Polar “Aprotic” Solvent","Organometallics","2008","27","19","5025","","10.1021/om800343x","","","0.71073","MoKα","","0.0376","0.0301","","","0.0648","0.0675","","","","","","1.053","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071745","7.4979","0.0004","16.7508","0.001","20.6495","0.0012","90","","90","","90","","2593.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 I Ir P2 -","- C27 H38 I Ir P2 -","- C108 H152 I4 Ir4 P8 -","4","1","","Romero, Patricio E.; Whited, Matthew T.; Grubbs, Robert H.","Multiple C−H Activations of Methyltert-Butyl Ether at Pincer Iridium Complexes: Synthesis and Thermolysis of Ir(I) Fischer Carbenes1","Organometallics","2008","27","14","3422","","10.1021/om8003515","","","0.71073","MoKα","","0.0568","0.0442","","","0.0986","0.1029","","","","","","1.039","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071763","8.4236","0.0009","12.5375","0.0013","46.354","0.004","90","","90","","90","","4895.5","0.8","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H44 F12 N12 O P2 Pd -","- C43 H44 F12 N12 O P2 Pd -","- C172 H176 F48 N48 O4 P8 Pd4 -","4","1","","Zhang, Xiaoming; Xi, Zhenxing; Liu, Ailing; Chen, Wanzhi","Facile and Efficient Olefination of Aryl Halides Catalyzed by a Palladium Complex Containing a Heteroarene-Functionalized N-Heterocyclic Carbene","Organometallics","2008","27","17","4401","","10.1021/om8003674","","","0.71073","MoKα","","0.088","0.0613","","","0.124","0.1338","","","","","","1.019","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071844","9.072","0.0002","12.085","0.0003","32.693","0.0009","90","","90","","90","","3584.3","0.15","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 Cl2 F6 N2 P Ru2 -","- C37 H39 Cl2 F6 N2 P Ru2 -","- C148 H156 Cl8 F24 N8 P4 Ru8 -","4","1","","Pannetier, Nicolas; Sortais, Jean-Baptiste; Dieng, Pape Sylla; Barloy, Laurent; Sirlin, Claude; Pfeffer, Michel","Kinetics and Mechanism of Ruthenacycle-Catalyzed Asymmetric Hydrogen Transfer","Organometallics","2008","27","22","5852","","10.1021/om800420r","","","0.71073","MoKα","","0.0578","0.0378","","","0.0707","0.077","","","","","","1.032","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071846","11.7404","0.0012","14.5944","0.0014","15.3327","0.0015","90","","90","","90","","2627.2","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 Fe N O2 P2 -","- C25 H43 Fe N O2 P2 -","- C100 H172 Fe4 N4 O8 P8 -","4","1","","Pelczar, Elizabeth M.; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Unusual Structural and Spectroscopic Features of Some PNP-Pincer Complexes of Iron","Organometallics","2008","27","22","5759","","10.1021/om800425p","","","0.71073","MoKα","","0.023","0.0219","","","0.0561","0.0565","","","","","","1.041","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071869","6.6808","0.0007","19.625","0.002","20.422","0.002","90","","90","","90","","2677.5","0.5","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Br N2 O2 Pd -","- C30 H31 Br N2 O2 Pd -","- C120 H124 Br4 N8 O8 Pd4 -","4","1","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","1.54178","CuKα","","0.053","0.0453","","","0.1079","0.1121","","","","","","1.005","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071870","6.1341","0.0006","11.6353","0.001","29.016","0.003","90","","90","","90","","2070.9","0.3","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N2 Ni O7 -","- C18 H25 Cl N2 Ni O7 -","- C72 H100 Cl4 N8 Ni4 O28 -","4","1","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","0.71073","MoKα","","0.0243","0.0224","","","0.0539","0.0546","","","","","","1.041","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4071872","6.2679","0.0008","10.9501","0.0013","35.488","0.005","90","","90","","90","","2435.7","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C112 H108 Br4 N8 Ni4 O8 -","- C112 H108 Br4 N8 Ni4 O8 -","- C112 H108 Br4 N8 Ni4 O8 -","1","0.25","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","1.54178","CuKα","","0.0854","0.072","","","0.1645","0.1728","","","","","","1.035","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071895","7.3992","0.0001","12.9482","0.0003","15.2689","0.0003","90","","90","","90","","1462.86","0.05","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Fe N O2 -","- C17 H21 Fe N O2 -","- C68 H84 Fe4 N4 O8 -","4","1","","Tebben, Ludger; Bussmann, Kathrin; Hegemann, Michael; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Ferrocene-Derived Bioorganometallic Chemistry: Preparation of a [3]Ferrocenophane γ-Amino Acid for Use in Peptide Synthesis","Organometallics","2008","27","17","4269","","10.1021/om8004542","","","0.71073","MoKα","","0.0328","0.0289","","","0.068","0.0702","","","","","","1.03","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071897","12.3007","0.0002","18.7039","0.0002","19.5365","0.0003","90","","90","","90","","4494.78","0.11","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H62 Cl N2 P Pd -","- C48 H62 Cl N2 P Pd -","- C192 H248 Cl4 N8 P4 Pd4 -","4","1","","Esposito, Oriana; Gois, Pedro M. P.; de K. Lewis, Alexandra K.; Caddick, Stephen; Cloke, F. Geoffrey N.; Hitchcock, Peter B.","Alkylpalladium N-Heterocyclic Carbene Complexes: Synthesis, Reactivity, and Catalytic Properties","Organometallics","2008","27","24","6411","","10.1021/om800455h","","x-ray","0.71073","MoKα","","0.0395","0.0312","","","0.0597","0.0627","","","","","","1.035","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071927","9.9952","0.0002","15.9318","0.0003","31.234","0.0006","90","","90","","90","","4973.75","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 B Mo N8 O2 -","- C22 H31 B Mo N8 O2 -","- C176 H248 B8 Mo8 N64 O16 -","8","2","","Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg","Reactions of [Mo(CBr)(CO)2{HB(pzMe2)3}] (pz = pyrazol-1-yl) with Amines: Synthesis of Amino, Pyridinium, and Thiolato Carbyne Complexes","Organometallics","2008","27","17","4532","","10.1021/om8004756","","","0.71073","MoKα","","0.0367","0.0332","","","0.0748","0.0762","","","","","","1.093","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071954","9.0367","0.0012","10.8324","0.0015","32.327","0.004","90","","90","","90","","3164.5","0.7","173.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 N2 -","- C44 H32 N2 -","- C176 H128 N8 -","4","1","","Matsuzawa, Hiroshi; Tanabe, Yoshiaki; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Optically ActiveN,N,N′,N′-Tetraphenyl-1,1′-binaphthyl-2,2′-diamine Derivatives as Analogues of BINAP","Organometallics","2008","27","15","4021","","10.1021/om800485s","","","0.71075","MoKα","","","0.0419","","","","0.1739","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4071976","10.3604","0.0009","19.119","0.0006","22.51","0.002","90","","90","","90","","4458.8","0.6","","","293","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C43 H0 Br2 F6 N2 P Pd Sb -","- C43 H40 Br2 F6 N2 P Pd Sb -","- C172 H160 Br8 F24 N8 P4 Pd4 Sb4 -","4","1","","Schnitzler, Verena; Nonglaton, Guillaume; Roussière, Hélène; Maillet, Céline; Evain, Michel; Janvier, Pascal; Bujoli, Bruno; Petit, Marc","Nitrogen-Based Chirality Effects in Novel Mixed Phosphorus/Nitrogen Ligands Applied to Palladium-Catalyzed Allylic Substitutions","Organometallics","2008","27","22","5997","","10.1021/om800498a","","","0.71069","MoKα","","0.0867","0.0608","","","0.0666","0.0682","","","","1.92","1.92","1.79","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071977","7.0672","0.0003","11.0184","0.0013","46.319","0.005","90","","90","","90","","3606.8","0.6","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Br2 N2 O9 P S -","- C32 H28 Br2 N2 O9 P S -","- C128 H112 Br8 N8 O36 P4 S4 -","4","1","","Schnitzler, Verena; Nonglaton, Guillaume; Roussière, Hélène; Maillet, Céline; Evain, Michel; Janvier, Pascal; Bujoli, Bruno; Petit, Marc","Nitrogen-Based Chirality Effects in Novel Mixed Phosphorus/Nitrogen Ligands Applied to Palladium-Catalyzed Allylic Substitutions","Organometallics","2008","27","22","5997","","10.1021/om800498a","","","0.71069","MoKα","","0.106","0.0517","","","0.0918","0.1047","","","","1.29","1.29","1.17","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4072018","9.233","0.0013","12.9405","0.0019","14.769","0.002","90","","90","","90","","1764.6","0.4","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Cl3 Cr N4 S -","- C13 H20 Cl3 Cr N4 S -","- C52 H80 Cl12 Cr4 N16 S4 -","4","1","","Zhang, Jun; Braunstein, Pierre; Hor, T. S. Andy","Highly Selective Chromium(III) Ethylene Trimerization Catalysts with [NON] and [NSN] Heteroscorpionate Ligands","Organometallics","2008","27","17","4277","","10.1021/om8005239","","","0.71073","MoKα","","0.0308","0.029","","","0.067","0.0678","","","","","","1.059","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072032","10.8815","0.0004","14.5747","0.0007","19.4944","0.0008","90","","90","","90","","3091.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N4 -","- C18 H18 N4 -","- C144 H144 N32 -","8","2","","Ros, Abel; Alcarazo, Manuel; Iglesias-Sigüenza, Javier; Díez, Elena; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Stereoselective Synthesis of Rhodium(I) 4-(Dialkylamino)triazol-5-ylidene Complexes","Organometallics","2008","27","18","4555","","10.1021/om800533g","","","0.71073","MoKα","","0.0646","0.0481","","","0.1176","0.1269","","","","","","1.033","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072035","10.9659","0.0013","14.9455","0.0017","23.038","0.002","90","","90","","90","","3775.7","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 F6 N4 Rh S Sb -","- C37 H50 F6 N4 Rh S Sb -","- C148 H200 F24 N16 Rh4 S4 Sb4 -","4","1","","Ros, Abel; Alcarazo, Manuel; Iglesias-Sigüenza, Javier; Díez, Elena; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Stereoselective Synthesis of Rhodium(I) 4-(Dialkylamino)triazol-5-ylidene Complexes","Organometallics","2008","27","18","4555","","10.1021/om800533g","","","0.71073","MoKα","","0.0362","0.0295","","","0.0511","0.0525","","","","","","1.021","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072145","17.5672","0.0008","18.3588","0.0009","27.1018","0.0013","90","","90","","90","","8740.7","0.7","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 F24 La N4 O4 -","- C35 H40 F24 La N4 O4 -","- C280 H320 F192 La8 N32 O32 -","8","2","","Grunova, Ekaterina; Kirillov, Evgueni; Roisnel, Thierry; Carpentier, Jean-François","Group 3 Metal Complexes of Salen-like Fluorous Dialkoxy−Diimino Ligands: Synthesis, Structure, and Application in Ring-Opening Polymerization ofrac-Lactide andrac-β-Butyrolactone","Organometallics","2008","27","21","5691","","10.1021/om800611c","","x-ray","0.71073","MoKα","","0.0321","0.0292","","","0.0708","0.0723","","","","","","1.04","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072153","16.5602","0.0017","18.6484","0.0019","19.595","0.002","90","","90","","90","","6051.4","1.1","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 I O U -","- C32 H47 I O U -","- C256 H376 I8 O8 U8 -","8","2","","Graves, Christopher R.; Schelter, Eric J.; Cantat, Thibault; Scott, Brian L.; Kiplinger, Jaqueline L.","A Mild Protocol To Generate Uranium(IV) Mixed-Ligand Metallocene Complexes using Copper(I) Iodide","Organometallics","2008","27","20","5371","","10.1021/om800622g","","","0.71073","MoKα","","0.0493","0.0359","","","0.0685","0.0739","","","","","","1.029","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072159","9.9468","0.0001","13.537","0.0002","18.6809","0.0002","90","","90","","90","","2515.38","0.05","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 As Cl N Pd -","- C25 H31.83 As Cl N Pd -","- C100 H127.32 As4 Cl4 N4 Pd4 -","4","1","","Coote, Michelle L.; Krenske, Elizabeth H.; Porter, Keith A.; Weir, Michelle L.; Willis, Anthony C.; Zhou, Xiangting; Wild, S. Bruce","Asymmetric Synthesis of a Tertiary Arsine by Nucleophilic Addition to a Chiral Phosphine-Stabilized Arsenium Salt","Organometallics","2008","27","19","5099","","10.1021/om8006272","","","0.7107","MoKα","","0.0425","0.0309","","0.0362","","0.0321","","","0.746","","","0.734","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072169","9.8524","0.0009","18.986","0.0018","19.524","0.0018","90","","90","","90","","3652.1","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H44 Cl2 P2 Pt -","- C37 H44 Cl2 P2 Pt -","- C148 H176 Cl8 P8 Pt4 -","4","1","","Sadowy, Amber L.; Ferguson, Michael J.; McDonald, Robert; Tykwinski, Rik R.","Chiralcis-Platinum Acetylide Complexes via Diphosphine Ligand Exchange: Effect of the Ligand","Organometallics","2008","27","23","6321","","10.1021/om800633h","","","0.71073","MoKα","","0.0217","0.0203","","","0.0518","0.0573","","","","","","1.091","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072174","8.8115","0.0009","10.4327","0.001","12.6598","0.0013","90","","90","","90","","1163.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H15 B10 N O -","- C4 H15 B10 N O -","- C16 H60 B40 N4 O4 -","4","1","","Mukhin, Sergey N.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Glukhov, Ivan V.; Starikova, Zoya A.; Bregadze, Vladimir I.; Beletskaya, Irina P.","Catalytic Amidation of 9-Iodo-m-carborane and 2-Iodo-p-carborane at a Boron Atom","Organometallics","2008","27","22","5937","","10.1021/om800635d","","","0.71073","MoKα","","0.045","0.0394","","","0.0948","0.0992","","","","","","0.985","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072175","11.0222","0.0016","15.039","0.002","20.857","0.003","90","","90","","90","","3457.3","0.8","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10.5 H20 B10 Cl N O -","- C10.5 H20 B10 Cl N O -","- C84 H160 B80 Cl8 N8 O8 -","8","2","","Mukhin, Sergey N.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Glukhov, Ivan V.; Starikova, Zoya A.; Bregadze, Vladimir I.; Beletskaya, Irina P.","Catalytic Amidation of 9-Iodo-m-carborane and 2-Iodo-p-carborane at a Boron Atom","Organometallics","2008","27","22","5937","","10.1021/om800635d","","","0.71073","MoKα","","0.0881","0.0649","","","0.1391","0.1473","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072234","10.4972","0.0001","11.3834","0.0002","20.923","0.0003","90","","90","","90","","2500.17","0.06","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 Cl Si Ti -","- C26 H41 Cl Si Ti -","- C104 H164 Cl4 Si4 Ti4 -","4","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.03","0.0278","","","0.071","0.0725","","","","","","1.051","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072263","15.365","0.006","17.074","0.006","17.199","0.007","90","","90","","90","","4512","3","152","2","152","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 P2 Si V -","- C20 H34 P2 Si V -","- C160 H272 P16 Si8 V8 -","8","2","","Shinohara, Akihiro; McBee, Jennifer; Waterman, Rory; Tilley, T. Don","Paramagnetic Vanadium Silyl Complexes: Synthesis, Structure, and Reactivity","Organometallics","2008","27","21","5717","","10.1021/om800712k","","","0.71073","MoKα","","0.1133","0.0607","","","0.108","0.1237","","","","","","0.992","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072296","13.297","0.0001","16.628","0.0002","21.755","0.0003","90","","90","","90","","4810.09","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H78 Ca N2 O2 Si -","- C48 H78 Ca N2 O2 Si -","- C192 H312 Ca4 N8 O8 Si4 -","4","1","","Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.; Lomas, Sarah L.; Mahon, Mary F.; Procopiou, Panayiotis A.; Suntharalingam, Kogularamanan","β-Diketiminato Calcium Acetylides: Synthesis, Solution Dimerization, and Catalytic Carbon−Carbon Bond Formation","Organometallics","2008","27","23","6300","","10.1021/om800738r","","","0.71073","MoKα","","0.0462","0.0367","","","0.0866","0.0913","","","","","","1.052","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072328","8.6743","0.0009","17.8926","0.0019","25.385","0.003","90","","90","","90","","3939.9","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 B2 N3 Si2 Y -","- C40 H48 B2 N3 Si2 Y -","- C160 H192 B8 N12 Si8 Y4 -","4","1","","Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Reactions of Boratabenzene Yttrium Complexes with KN(SiMe3)2: Salt Elimination and π-Ligand Displacement","Organometallics","2008","27","23","6307","","10.1021/om800770a","","","0.71073","MoKα","","0.1445","0.0487","","","0.0707","0.0921","","","","","","0.903","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072355","7.3257","0.0002","13.6736","0.0004","14.8738","0.0004","90","","90","","90","","1489.89","0.07","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O4 Si -","- C16 H14 N2 O4 Si -","- C64 H56 N8 O16 Si4 -","4","1","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0439","0.0345","","","0.0834","0.0873","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072387","8.1831","0.0002","16.9422","0.0005","18.5709","0.0006","90","","90","","90","","2574.66","0.13","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H42 B F4 N2 P Pd -","- C21 H42 B F4 N2 P Pd -","- C84 H168 B4 F16 N8 P4 Pd4 -","4","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.088","0.0635","","0.1556","0.1421","0.1556","","","","","","0.8947","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072396","13.7643","0.0011","16.5149","0.0013","18.7349","0.0015","90","","90","","90","","4258.7","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H53 F6 Mo N2 O P -","- C45 H53 F6 Mo N2 O P -","- C180 H212 F24 Mo4 N8 O4 P4 -","4","1","","Marinescu, Smaranda C.; Singh, Rojendra; Hock, Adam S.; Wampler, Keith M.; Schrock, Richard R.; Müller, Peter","Syntheses and Structures of Molybdenum Imido Alkylidene Pyrrolide and Indolide Complexes","Organometallics","2008","27","24","6570","","10.1021/om800816q","","","0.71073","MoKα","","0.0373","0.031","","","0.0649","0.0683","","","","","","1.028","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072397","14.55","0.003","15.3","0.003","34.447","0.007","90","","90","","90","","7668","3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","complex 3b","","","- C45 H50 Fe P2 -","- C45 H50 Fe P2 -","- C360 H400 Fe8 P16 -","8","2","","Takita, Ryo; Takada, Yuko; Jensen, Rader S.; Okazaki, Masaaki; Ozawa, Fumiyuki","Synthesis and Ligand Properties of 1-Phosphaethenyl-2-phosphanylferrocenes","Organometallics","2008","27","23","6279","","10.1021/om8008316","","","0.7107","MoKα","","0.0905","0.0659","","","0.1383","0.1531","","","","","","1.049","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072398","10.4639","0.0001","17.2101","0.0002","25.5495","0.0003","90","","90","","90","","4601.08","0.09","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","complex 4b","","","- C51 H66 Fe O P2 Pt -","- C51 H66 Fe O P2 Pt -","- C204 H264 Fe4 O4 P8 Pt4 -","4","1","","Takita, Ryo; Takada, Yuko; Jensen, Rader S.; Okazaki, Masaaki; Ozawa, Fumiyuki","Synthesis and Ligand Properties of 1-Phosphaethenyl-2-phosphanylferrocenes","Organometallics","2008","27","23","6279","","10.1021/om8008316","","","0.71069","MoKα","","0.0348","0.0287","","","0.0665","0.0688","","","","","","1.003","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072412","9.8335","0.0007","15.5702","0.0011","16.4684","0.0012","90","","90","","90","","2521.5","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H39 B F4 P4 Ru -","- C16 H39 B F4 P4 Ru -","- C64 H156 B4 F16 P16 Ru4 -","4","1","","Field, Leslie D.; Magill, Alison M.; Jensen, Paul","Butenynyl and Vinylidene Complexes of Ruthenium","Organometallics","2008","27","24","6539","","10.1021/om800861g","","","0.71073","MoKα","","0.0227","0.0211","","","0.0504","0.0512","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072427","8.0561","0.0003","19.3133","0.001","29.9033","0.0015","90","","90","","90","","4652.7","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Ir O2 -","- C30 H27 Ir O2 -","- C240 H216 Ir8 O16 -","8","2","","Panichakul, Duanghathai; Su, Yan; Li, Yongxin; Deng, Weiqiao; Zhao, Jing; Li, Xingwei","A Rare η3Binding Mode of Aryloxides in Iridium, Rhodium, and Ruthenium Complexes","Organometallics","2008","27","24","6390","","10.1021/om800985u","","","0.71073","MoKα","","0.0552","0.0334","","","0.0695","0.1003","","","","","","1.094","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072429","8.0134","0.0002","19.4063","0.0005","29.9106","0.0009","90","","90","","90","","4651.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 O2 Rh -","- C30 H27 O2 Rh -","- C240 H216 O16 Rh8 -","8","2","","Panichakul, Duanghathai; Su, Yan; Li, Yongxin; Deng, Weiqiao; Zhao, Jing; Li, Xingwei","A Rare η3Binding Mode of Aryloxides in Iridium, Rhodium, and Ruthenium Complexes","Organometallics","2008","27","24","6390","","10.1021/om800985u","","","0.71073","MoKα","","0.0411","0.0326","","","0.066","0.0698","","","","","","1.037","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072431","10.2497","0.0004","10.7909","0.0005","14.198","0.0006","90","","90","","90","","1570.35","0.12","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br N2 Ni -","- C16 H19 Br N2 Ni -","- C64 H76 Br4 N8 Ni4 -","4","1","","Hahn, F. Ekkehardt; Radloff, Christian; Pape, Tania; Hepp, Alexander","A Nickel(II)-Cornered Molecular Rectangle with Biscarbene and 4,4′-Bipyridine Bridging Groups","Organometallics","2008","27","24","6408","","10.1021/om801007u","","","0.71073","MoKα","","0.0334","0.0257","","","0.0484","0.0502","","","","","","0.962","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072435","17.1172","0.0012","17.4726","0.0012","33.072","0.002","90","","90","","90","","9891.2","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21.25 H33.5 Cl2.5 N O1.5 P Pd -","- C21.25 H32.5 Cl2.5 N O1.5 P Pd -","- C340 H520 Cl40 N16 O24 P16 Pd16 -","16","4","","Rubina, Marina; Sherrill, William M.; Rubin, Michael","Dramatic Stereo- and Enantiodivergency in the Intermolecular Asymmetric Heck Reaction Catalyzed by Palladium Complexes with Cyclopropane-Based PHOX Ligands","Organometallics","2008","27","24","6393","","10.1021/om801051d","","","0.71073","MoKα","","0.0898","0.0745","","","0.149","0.1549","","","","","","1.121","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072471","9.78","0.001","10.513","0.001","22.371","0.001","90","","90","","90","","2300.1","0.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 F6 Fe N P Pd S -","- C21 H22 F6 Fe N P Pd S -","- C84 H88 F24 Fe4 N4 P4 Pd4 S4 -","4","1","","López, Concepción; Pérez, Sonia; Solans, Xavier; Font-Bardía, Mercè; Roig, Anna; Molins, Elies; van Leeuwen, Piet W. N. M.; van Strijdonck, Gino P. F.","Heterodimetallic Palladium(II) Complexes with Bidentate (N,S) or Terdentate (C,N,S)-Ferrocenyl Ligands. The Effect of the Ligand Donor Atoms on the Regioselectivity of the Allylic Alkylation of Cinnamyl Acetate","Organometallics","2007","26","3","571","","10.1021/om060647d","","","0.71069","MoKα","","0.0441","0.039","","0.1334","0.1059","","","","1.226","0.997","0.997","","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072477","9.6872","0.0013","14.333","0.002","24.351","0.004","90","","90","","90","","3381.1","0.9","93","2","93","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C31 H41 Cl2 N4 O P Ru S -","- C31 H41 Cl2 N4 O P Ru S -","- C124 H164 Cl8 N16 O4 P4 Ru4 S4 -","4","1","","Clarke, Matthew L.; Díaz-Valenzuela, M. Belén; Slawin, Alexandra M. Z.","Hydrogenation of Aldehydes, Esters, Imines, and Ketones Catalyzed by a Ruthenium Complex of a Chiral Tridentate Ligand","Organometallics","2007","26","1","16","","10.1021/om060673b","","","0.71073","MoKα","","0.0531","0.042","","","0.0683","0.0735","","","","","","1.133","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072526","18.816","0.004","22.695","0.006","23.105","0.008","90","","90","","90","","9867","5","180","","180","","","","","","","","?","8","P 21 21 21","P 2ac 2ab","19","","","","- C85 H82 Cl17 Li N3 O14.5 P Rh3 -","- C85 H77 Cl17 Li N3 O14.5 P Rh3 -","- C340 H308 Cl68 Li4 N12 O58 P4 Rh12 -","4","1","","Mimassi, L.; Cordier, C.; Guyard-Duhayon, C.; Mann, B. E.; Amouri, H.","Chiral Supramolecular Triangular Hosts: Anion Metathesis, Solution Behavior, and High Stability of the Metal Configuration","Organometallics","2007","26","4","860","","10.1021/om060756s","","","0.71073","MoKα","","0.146","0.0809","","0.1623","0.085","0.085","","","","","","1.1145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072539","9.0546","0.0011","15.272","0.002","20.203","0.003","90","","90","","90","","2793.7","0.6","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 Hf N4 O -","- C29 H40 Hf N4 O -","- C116 H160 Hf4 N16 O4 -","4","1","","Gott, Andrew L.; Coles, Stuart R.; Clarke, Adam J.; Clarkson, Guy J.; Scott, Peter","Chiral Alkoxide-Functionalized Guanidinates from Ring-Opening Rearrangement of Aminooxazolinate Complexes","Organometallics","2007","26","1","136","","10.1021/om0607649","","","1.54178","CuKα","","0.0282","0.0262","","","0.0589","0.0596","","","","","","1.016","","","","has coordinates","178614","2020-10-21","18:00:00",""
"4072546","8.7505","0.0004","17.5279","0.0008","20.1836","0.001","90","","90","","90","","3095.7","0.3","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H36 Cl N2 Rh -","- C39 H36 Cl N2 Rh -","- C156 H144 Cl4 N8 Rh4 -","4","1","","Baskakov, Denys; Herrmann, Wolfgang A.; Herdtweck, Eberhardt; Hoffmann, Stephan D.","Chiral N-Heterocyclic Carbenes with Restricted Flexibility in Asymmetric Catalysis†","Organometallics","2007","26","3","626","","10.1021/om0607806","","","0.71073","MoKα","","0.0299","0.0275","","","0.0607","0.0625","","","","","","1.099","","","","has coordinates","178614","2020-10-21","18:00:00",""
"4072547","5.6811","0.0003","19.689","0.0009","20.2676","0.0008","90","","90","","90","","2267.04","0.18","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 -","- C30 H28 N2 -","- C120 H112 N8 -","4","1","","Baskakov, Denys; Herrmann, Wolfgang A.; Herdtweck, Eberhardt; Hoffmann, Stephan D.","Chiral N-Heterocyclic Carbenes with Restricted Flexibility in Asymmetric Catalysis†","Organometallics","2007","26","3","626","","10.1021/om0607806","","","0.71073","MoKα","","0.0288","0.0255","","","0.0615","0.0624","","","","","","1.014","","","","has coordinates","178614","2020-10-21","18:00:00",""
"4072554","9.6583","0.0005","14.5653","0.0007","20.2207","0.001","90","","90","","90","","2844.6","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Fe(PNP-iPr)(Cl)2].(C2H5)2O","","","- C21 H43 Cl2 Fe N3 O P2 -","- C21 H43 Cl2 Fe N3 O P2 -","- C84 H172 Cl8 Fe4 N12 O4 P8 -","4","1","","Benito-Garagorri, David; Wiedermann, Julia; Pollak, Martin; Mereiter, Kurt; Kirchner, Karl","Iron(II) Complexes Bearing Tridentate PNP Pincer-Type Ligands as Catalysts for the Selective Formation of 3-Hydroxyacrylates from Aromatic Aldehydes and Ethyldiazoacetate","Organometallics","2007","26","1","217","","10.1021/om060802o","","","0.71073","MoKα","","0.0433","0.0403","","","0.1096","0.1127","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072617","5.5666","0.0005","9.0518","0.0007","61.911","0.006","90","","90","","90","","3119.6","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-Dimethyl-4-phenyl-5-phenylselenyl-2H-imidazole-1-oxide","","- C17 H16 N2 O Se -","- C17 H16 N2 O Se -","- C136 H128 N16 O8 Se8 -","8","2","","Voinov, Maxim A.; Shevelev, Tikhon G.; Rybalova, Tatyana V.; Gatilov, Yury V.; Pervukhina, Natalie V.; Burdukov, Aleksei B.; Grigor'ev, Igor A.","α-Organoelement Nitrones: Synthesis, Properties, and IR and13C NMR Spectral and X-ray Structural Characterization†","Organometallics","2007","26","7","1607","","10.1021/om060883o","","","0.71073","MoKα","","0.0458","0.0416","","","0.1119","0.117","","","","","","1.059","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072621","6.0014","0.0006","12.5451","0.0013","23.887","0.003","90","","90","","90","","1798.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-Diphenylphosphanyl-2,2,4,4-tetramethyl-3,4-dihydro-2H-pyrrole 1-oxide","","- C20 H24 N O P -","- C20 H24 N O P -","- C80 H96 N4 O4 P4 -","4","1","","Voinov, Maxim A.; Shevelev, Tikhon G.; Rybalova, Tatyana V.; Gatilov, Yury V.; Pervukhina, Natalie V.; Burdukov, Aleksei B.; Grigor'ev, Igor A.","α-Organoelement Nitrones: Synthesis, Properties, and IR and13C NMR Spectral and X-ray Structural Characterization†","Organometallics","2007","26","7","1607","","10.1021/om060883o","","","0.71073","MoKα","","0.0574","0.0455","","","0.1136","0.1243","","","","","","1.062","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072629","10.6845","0.0006","14.2833","0.0008","15.7115","0.0009","90","","90","","90","","2397.7","0.2","568","2","568","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 Au Br3 N2 -","- C21 H24 Au Br3 N2 -","- C84 H96 Au4 Br12 N8 -","4","1","","de Frémont, Pierre; Singh, Rohit; Stevens, Edwin D.; Petersen, Jeffrey L.; Nolan, Steven P.","Synthesis, Characterization and Reactivity ofN-Heterocyclic Carbene Gold(III) Complexes","Organometallics","2007","26","6","1376","","10.1021/om060887t","","","0.71073","MoKα","","0.0352","0.03","","","0.0701","0.0724","","","","","","1.092","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072645","8.7267","0.001","9.918","0.0011","15.7027","0.0018","90","","90","","90","","1359.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Cl2 O Ti -","- C13 H16 Cl2 O Ti -","- C52 H64 Cl8 O4 Ti4 -","4","1","","Buil, María L.; Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique","Preparation and X-ray Structures of Alkyl−Titanium(IV) Complexes Stabilized by Indenyl Ligands with a Pendant Ether or Amine Substituent and Their Use in the Catalytic Hydroamination of Alkynes","Organometallics","2007","26","3","554","","10.1021/om060909b","","","0.71073","MoKα","","0.0844","0.0614","","","0.1069","0.1139","","","","","","1.007","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072646","8.3491","0.0014","8.6636","0.0014","20.133","0.003","90","","90","","90","","1456.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Cl N Ti -","- C15 H22 Cl N Ti -","- C60 H88 Cl4 N4 Ti4 -","4","1","","Buil, María L.; Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique","Preparation and X-ray Structures of Alkyl−Titanium(IV) Complexes Stabilized by Indenyl Ligands with a Pendant Ether or Amine Substituent and Their Use in the Catalytic Hydroamination of Alkynes","Organometallics","2007","26","3","554","","10.1021/om060909b","","","0.71073","MoKα","","0.0451","0.0343","","","0.0562","0.0584","","","","","","0.904","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072647","8.5922","0.001","11.9683","0.0014","14.5344","0.0016","90","","90","","90","","1494.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N Ti -","- C16 H25 N Ti -","- C64 H100 N4 Ti4 -","4","1","","Buil, María L.; Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique","Preparation and X-ray Structures of Alkyl−Titanium(IV) Complexes Stabilized by Indenyl Ligands with a Pendant Ether or Amine Substituent and Their Use in the Catalytic Hydroamination of Alkynes","Organometallics","2007","26","3","554","","10.1021/om060909b","","","0.71073","MoKα","","0.0515","0.0371","","","0.072","0.0748","","","","","","0.882","","","","has coordinates,has disorder","178615","2020-10-21","18:00:00",""
"4072673","13.3529","0.0003","13.4802","0.0004","23.1921","0.0006","90","","90","","90","","4174.57","0.19","253","1","253","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H54 Cl2 N4 Ru -","- C39 H54 Cl2 N4 Ru -","- C156 H216 Cl8 N16 Ru4 -","4","1","","Ledoux, Nele; Allaert, Bart; Linden, Anthony; Van Der Voort, Pascal; Verpoort, Francis","Bis-coordination ofN-(Alkyl)-N‘-(2,6-diisopropylphenyl) Heterocyclic Carbenes to Grubbs Catalysts","Organometallics","2007","26","4","1052","","10.1021/om060937u","","","0.71073","MoKα","","0.047","0.0384","","","0.0849","0.089","","","","","","1.136","","","","has coordinates","178615","2020-10-21","18:00:00",""
"4072701","7.8258","0.0004","8.8461","0.0002","17.3835","0.0007","90","","90","","90","","1203.42","0.08","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Fe I O -","- C12 H11 Fe I O -","- C48 H44 Fe4 I4 O4 -","4","1","","Ferber, Benoit; Top, Siden; Herson, Patrick; Jaouen, Gérard","New Ortho-Directing Group for Lithiation: Use of a Methoxy−Imino Auxiliary for the Synthesis of Chiral Ortho-Substituted Acetyl- and Propionylferrocenes","Organometallics","2007","26","7","1686","","10.1021/om0609620","","","0.71073","MoKα","","0.0745","0.0448","","0.0536","0.0508","0.0508","","","","","","1.0514","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072713","10.9918","0.0005","16.7632","0.0007","17.5907","0.0007","90","","90","","90","","3241.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 5","","","- C35 H42 B Ir N6 -","- C35 H42 B Ir N6 -","- C140 H168 B4 Ir4 N24 -","4","1","","Paneque, Margarita; Posadas, Cristina M.; Poveda, Manuel L.; Rendón, Nuria; Mereiter, Kurt","Oxidative Coupling in the Reaction of TpMe2Ir(2,3-dimethylbutadiene) with Diphenylacetylene","Organometallics","2007","26","8","1900","","10.1021/om060967x","","","0.71073","MoKα","","0.0335","0.028","","","0.0525","0.0541","","","","","","1.018","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072723","12.9014","0.0001","13.8202","0.0001","16.3616","0.0002","90","","90","","90","","2917.27","0.05","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Compound 2","","","- C16 H31 B11 Br6 P Rh -","- C16 H31 B11 Br6 P Rh -","- C64 H124 B44 Br24 P4 Rh4 -","4","1","","Douglas, Thomas M.; Molinos, Eduardo; Brayshaw, Simon K.; Weller, Andrew S.","Rhodium Phosphine Olefin Complexes of the Weakly Coordinating Anions [BArF4]-and [1-closo-CB11H6Br6]-. Kinetic versus Thermodynamic Factors in Anion Coordination and Complex Reactivity","Organometallics","2007","26","3","463","","10.1021/om060975d","","","0.71073","MoKα","","0.039","0.0311","","","0.0649","0.068","","","","","","1.034","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072751","9.2696","0.0018","10.598","0.002","28.384","0.005","90","","90","","90","","2788.4","0.9","100","0.1","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 Mo2 N O2 P -","- C31 H38 Mo2 N O2 P -","- C124 H152 Mo8 N4 O8 P4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.","Reactivity of the Unsaturated Hydride [Mo2(η5-C5H5)2(μ-H)(μ-PCy2)(CO)2] toward P-Donor Bidentate Ligands and Unsaturated N-Containing Organic Molecules","Organometallics","2007","26","6","1461","","10.1021/om060999k","","x-ray","0.71073","MoKα","","0.082","0.056","","","0.1252","0.1366","","","","","","0.996","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072752","5.1199","0.0008","13.818","0.002","32.194","0.005","90","","90","","90","","2277.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Cl2 N4 O Pd -","- C23 H22 Cl2 N4 O Pd -","- C92 H88 Cl8 N16 O4 Pd4 -","4","1","","Liao, Chuang-Yi; Chan, Kai-Ting; Zeng, Jing-Yao; Hu, Ching-Han; Tu, Cheng-Yi; Lee, Hon Man","Nonchelate and Chelate Complexes of Palladium(II) with N-Heterocyclic Carbene Ligands of Amido Functionality","Organometallics","2007","26","7","1692","","10.1021/om0610041","","x-ray","0.71073","MoKα","","0.0562","0.0355","","","0.0566","0.0606","","","","","","0.94","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072780","9.6232","0.0004","11.1381","0.0005","24.2794","0.001","90","","90","","90","","2602.37","0.19","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl N O3 P Pd -","- C27 H29 Cl N O3 P Pd -","- C108 H116 Cl4 N4 O12 P4 Pd4 -","4","1","","Doherty, Mark D.; Trudeau, Stéphane; White, Peter S.; Morken, James P.; Brookhart, Maurice","Ethylene Oligomerization Catalyzed by a Unique Phosphine−Oxazoline Palladium(II) Complex. Propagation and Chain Transfer Mechanisms","Organometallics","2007","26","5","1261","","10.1021/om061025v","","","0.71073","MoKα","","0.0438","0.0378","","","0.0867","0.0896","","","","","","1.063","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072786","13.911","0.001","14.533","0.001","16.558","0.001","90","","90","","90","","3347.5","0.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound (3)","","","- C27 H38.5 B Ir N6 O10.25 -","- C27 H38 B Ir N6 O10.261 -","- C108 H152 B4 Ir4 N24 O41.044 -","4","1","","Paneque, Margarita; Posadas, Cristina M.; Poveda, Manuel L.; Rendón, Nuria; Santos, Laura L.; Álvarez, Eleuterio; Salazar, Verónica; Mereiter, Kurt; Oñate, Enrique","Metallacycloheptatrienes of Iridium(III): Synthesis and Reactivity","Organometallics","2007","26","14","3403","","10.1021/om061036o","","","0.71073","MoKα","","0.0381","0.0301","","","0.0682","0.0723","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072798","9.5809","0.0008","14.2373","0.0012","16.3071","0.0014","90","","90","","90","","2224.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N2 P Zn -","- C21 H33 N2 P Zn -","- C84 H132 N8 P4 Zn4 -","4","1","","Wang, Zhong-Xia; Qi, Chun-Yan","Lithium, Magnesium, and Zinc Iminophosphorano(8-quinolyl)methanide Complexes: Syntheses, Characterization, and Activity in ε-Caprolactone Polymerization","Organometallics","2007","26","9","2243","","10.1021/om0610400","","","0.71073","MoKα","","0.0362","0.0279","","","0.067","0.07","","","","","","1.01","","","","has coordinates","178616","2020-10-21","18:00:00",""
"4072807","13.7032","0.0012","13.935","0.0012","15.1568","0.0014","90","","90","","90","","2894.3","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","compound 6","","","- C23 H32 B Cl Ir N7 O4 -","- C23 H32 B Cl Ir N7 O4 -","- C92 H128 B4 Cl4 Ir4 N28 O16 -","4","1","","Paneque, Margarita; Posadas, Cristina M.; Poveda, Manuel L.; Rendón, Nuria; Mereiter, Kurt","Reactivity of the Iridium(I) Alkene/Alkyne Complex TpMe2Ir(C2H4)(MeO2CC⋮CCO2Me)","Organometallics","2007","26","13","3120","","10.1021/om061056q","","","0.71073","MoKα","","0.0639","0.0381","","","0.0626","0.068","","","","","","0.996","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4072817","9.6032","0.0006","21.6943","0.0013","32.986","0.002","90","","90","","90","","6872.1","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H73 N3 O6 P2 Si4 -","- C70 H73 N3 O6 P2 Si4 -","- C280 H292 N12 O24 P8 Si16 -","4","1","","Cobley, Christopher J.; Froese, Robert D. J.; Klosin, Jerzy; Qin, Cheng; Whiteker, Gregory T.; Abboud, Khalil A.","Effect of the Dihedral Angle of Biaryl-Bridged Bisphosphite Ligands on Enantioselectivity and Regioselectivity of Asymmetric Hydroformylation","Organometallics","2007","26","12","2986","","10.1021/om061065z","","","0.71073","MoKα","","0.0878","0.0441","","","0.0891","0.0985","","","","","","0.916","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4072819","13.2638","0.0007","21.4089","0.0011","23.2485","0.0012","90","","90","","90","","6601.7","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H83 O8 P2 Rh -","- C73 H83 O8 P2 Rh -","- C292 H332 O32 P8 Rh4 -","4","1","","Cobley, Christopher J.; Froese, Robert D. J.; Klosin, Jerzy; Qin, Cheng; Whiteker, Gregory T.; Abboud, Khalil A.","Effect of the Dihedral Angle of Biaryl-Bridged Bisphosphite Ligands on Enantioselectivity and Regioselectivity of Asymmetric Hydroformylation","Organometallics","2007","26","12","2986","","10.1021/om061065z","","","0.71073","MoKα","","0.0501","0.0328","","","0.063","0.0647","","","","","","0.858","","","","has coordinates,has disorder","178617","2020-10-21","18:00:00",""
"4072821","13.7261","0.0009","21.6693","0.0015","23.917","0.0015","90","","90","","90","","7113.8","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H75 O8 P2 Rh Si4 -","- C77 H75 O8 P2 Rh Si4 -","- C308 H300 O32 P8 Rh4 Si16 -","4","1","","Cobley, Christopher J.; Froese, Robert D. J.; Klosin, Jerzy; Qin, Cheng; Whiteker, Gregory T.; Abboud, Khalil A.","Effect of the Dihedral Angle of Biaryl-Bridged Bisphosphite Ligands on Enantioselectivity and Regioselectivity of Asymmetric Hydroformylation","Organometallics","2007","26","12","2986","","10.1021/om061065z","","","0.71073","MoKα","","0.1007","0.054","","","0.0843","0.0964","","","","","","0.913","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4072830","11.8206","0.0008","12.9648","0.0009","24.4701","0.0017","90","","90","","90","","3750.1","0.4","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Cl2 I3 O P2 Pt Ru -","- C33 H31 Cl2 I3 O P2 Pt Ru -","- C132 H124 Cl8 I12 O4 P8 Pt4 Ru4 -","4","1","","Serra, Daniel; Abboud, Khalil A.; Hilliard, Casie R.; McElwee-White, Lisa","Electronic Interactions in Iron- and Ruthenium-Containing Heterobimetallic Complexes: Structural and Spectroscopic Investigations","Organometallics","2007","26","13","3085","","10.1021/om0610750","","","0.71073","MoKα","","0.0264","0.0246","","","0.0582","0.0587","","","","","","1.054","","","","has coordinates,has disorder","178617","2020-10-21","18:00:00",""
"4072858","11.3514","0.0005","17.7124","0.0008","29.7652","0.0014","90","","90","","90","","5984.6","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 B Mo2 O2 P -","- C30 H44 B Mo2 O2 P -","- C240 H352 B8 Mo16 O16 P8 -","8","2","","Amor, Inmaculada; García-Vivó, Daniel; García, M. Esther; Ruiz, Miguel A.; Sáez, David; Hamidov, Hayrullo; Jeffery, John C.","Formation of P–H, P–C, and C–H Bonds by Hydride Attack on a Electrophilic Phosphide-Bridged Dimolybdenum Complex. Trapping the Phosphinidene Ligand with Borane","Organometallics","2007","26","3","466","468","10.1021/om061097m","","x-ray","1.5418","CuKα","","0.0394","0.0342","","","0.0784","0.0815","","","","","","0.983","","","","has coordinates","288091","2023-12-06","15:51:22",""
"4072881","10.701","0.002","13.89","0.003","16.873","0.003","90","","90","","90","","2508","0.8","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 Br P2 Pt -","- C24 H33 Br P2 Pt -","- C96 H132 Br4 P8 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Platinum-Catalyzed Asymmetric Alkylation of a Secondary Phosphine: Mechanism and Origin of Enantioselectivity","Organometallics","2007","26","7","1788","","10.1021/om061116s","","","0.71073","MoKα","","0.0254","0.0236","","","0.0494","0.0499","","","","","","0.893","","","","has coordinates","178617","2020-10-21","18:00:00",""
"4072882","12.9514","0.0016","17.462","0.002","21.291","0.003","90","","90","","90","","4815.1","1.1","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H66 B F4 P3 Pt -","- C47 H66 B F4 P3 Pt -","- C188 H264 B4 F16 P12 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Platinum-Catalyzed Asymmetric Alkylation of a Secondary Phosphine: Mechanism and Origin of Enantioselectivity","Organometallics","2007","26","7","1788","","10.1021/om061116s","","","0.71073","MoKα","","0.0247","0.0227","","","0.0494","0.0497","","","","","","0.991","","","","has coordinates,has disorder","178617","2020-10-21","18:00:00",""
"4072883","15.92","0.002","16.545","0.003","40.382","0.006","90","","90","","90","","10636","3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H65.5 O3 P4 Pt2 -","- C49 H65.5 O3 P4 Pt2 -","- C392 H524 O24 P32 Pt16 -","8","2","","Scriban, Corina; Glueck, David S.; Golen, James A.; Rheingold, Arnold L.","Platinum-Catalyzed Asymmetric Alkylation of a Secondary Phosphine: Mechanism and Origin of Enantioselectivity","Organometallics","2007","26","7","1788","","10.1021/om061116s","","","0.71073","MoKα","","0.0696","0.065","","","0.1828","0.1853","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072886","15.6422","0.0013","18.8747","0.0014","20.159","0.003","90","","90","","90","","5951.8","1.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H74 B2 Fe Li2 O2 -","- C62 H74 B2 Fe Li2 O2 -","- C248 H296 B8 Fe4 Li8 O8 -","4","1","","Kaufmann, Linda; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Experimental Assessment of the Relative Affinities of Benzene and Ferrocene toward the Li+Cation","Organometallics","2007","26","7","1771","","10.1021/om061117k","","","0.71073","MoKα","","0.246","0.1477","","","0.3479","0.4106","","","","","","1.101","","","","has coordinates,has disorder","178617","2020-10-21","18:00:00",""
"4072915","14.1594","0.0015","20.725","0.002","37.503","0.005","90","","90","","90","","11005","2","95","1","95","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","cmc0431a","","","- C31 H31.5 Cl N O1.25 P Pd -","- C31 H31.5 Cl N O1.25 P Pd -","- C496 H504 Cl16 N16 O20 P16 Pd16 -","16","4","","Mawo, Relindis Y.; Mustakim, Sheikh; Young, Jr., Victor G.; Hoffmann, Mark R.; Smoliakova, Irina P.","Endo-Effect-Driven Regioselectivity in the Cyclopalladation of (S)-2-tert-Butyl-4-phenyl-2-oxazoline","Organometallics","2007","26","7","1801","","10.1021/om061132p","","","0.49594","","","0.053","0.0397","","","0.0836","0.0877","","","","","","1.065","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4072919","8.5086","0.0002","15.891","0.0007","19.133","0.001","90","","90","","90","","2586.98","0.19","173.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F12 O2 Pt S2 -","- C20 H18 F12 O2 Pt S2 -","- C80 H72 F48 O8 Pt4 S8 -","4","1","","Yagyu, Takeyoshi; Ohashi, Jun-ichi; Maeda, Masunobu","Monoarylplatinum(II) Complexes with a 2-Phenylpyridyl Ligand and Coordinated Solvent, [Pt(Ar)(Phpy)(solv)] (Phpy = 2-phenylpyridyl; solv = NCCH3, dmso). Preparation from [Pt(Ar)2(solv)2], Structures, and Chemical Properties","Organometallics","2007","26","9","2383","","10.1021/om061137m","","","0.7107","MoKα","","","0.0248","","","","0.0552","","","","","","0.593","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072930","12.3293","0.0017","12.9894","0.0018","18.476","0.003","90","","90","","90","","2958.9","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 Fe P2 Si -","- C34 H36 Fe P2 Si -","- C136 H144 Fe4 P8 Si4 -","4","1","","Kumar, Mukesh; Cervantes-Lee, Francisco; Sharma, Hemant K.; Pannell, Keith H.","Structural and Redox Properties of Novel Spirocyclic 1-Sila-3-ferracyclobutanes, [(η5-C5H4)Fe(L2)CH2SiMe2], L2= P−P (diphosphine)","Organometallics","2007","26","12","3005","","10.1021/om061141y","","","0.71073","MoKα","","0.0691","0.0601","","","0.1218","0.1259","","","","","","1.147","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4072967","12.7912","0.0006","16.5615","0.0008","16.8787","0.0008","90","","90","","90","","3575.6","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H60 O3 Si6 Yb -","- C24 H60 O3 Si6 Yb -","- C96 H240 O12 Si24 Yb4 -","4","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Synthesis and Structures of Ln(II) and Ln(III) Dialkyls Derived from LnI2(Ln = Nd, Tm, Yb)","Organometallics","2007","26","10","2646","","10.1021/om0611711","","","0.6771","synchrotron","","0.0356","0.0324","","","0.0811","0.0822","","","","","","1.048","","","","has coordinates","178618","2020-10-21","18:00:00",""
"4073056","8.1087","0.0008","12.016","0.001","17.531","0.002","90","","90","","90","","1708.1","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(pR)-2-(N,N-di-isopropyl-amido)ferrocenylboronic acid","","- C17 H24 B Fe N O3 -","- C17 H24 B Fe N O3 -","- C68 H96 B4 Fe4 N4 O12 -","4","1","","Batsanov, Andrei S.; Hérault, Damien; Howard, Judith A. K.; Patrick, Leonard G. F.; Probert, Michael R.; Whiting, Andrew","Synthesis and Structure of Planar Chiral, Bifunctional Aminoboronic Acid Ferrocene Derivatives","Organometallics","2007","26","9","2414","","10.1021/om070038l","","","0.71073","MoKα","","0.0215","0.0205","","","0.0523","0.0527","","","","","","1.059","","","","has coordinates","178619","2020-10-21","18:00:00",""
"4073058","7.1359","0.0004","11.753","0.001","20.11","0.002","90","","90","","90","","1686.6","0.2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(+)-(pR)-2-{(N,N-diisopropylamino)methyl}ferrocenylboronic acid","","- C17 H26 B Fe N O2 -","- C17 H26 B Fe N O2 -","- C68 H104 B4 Fe4 N4 O8 -","4","1","","Batsanov, Andrei S.; Hérault, Damien; Howard, Judith A. K.; Patrick, Leonard G. F.; Probert, Michael R.; Whiting, Andrew","Synthesis and Structure of Planar Chiral, Bifunctional Aminoboronic Acid Ferrocene Derivatives","Organometallics","2007","26","9","2414","","10.1021/om070038l","","","0.71073","MoKα","","0.0523","0.0381","","","0.0724","0.0752","","","","","","0.9","","","","has coordinates","178619","2020-10-21","18:00:00",""
"4073059","10.842","0.001","11.304","0.001","13.971","0.001","90","","90","","90","","1712.3","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(pR)-N-{[2-(Difluoroborylferrocenyl]methyl}-N,N-diisopropylamine hydrofluoride","","- C17 H25 B F3 Fe N -","- C17 H25 B F3 Fe N -","- C68 H100 B4 F12 Fe4 N4 -","4","1","","Batsanov, Andrei S.; Hérault, Damien; Howard, Judith A. K.; Patrick, Leonard G. F.; Probert, Michael R.; Whiting, Andrew","Synthesis and Structure of Planar Chiral, Bifunctional Aminoboronic Acid Ferrocene Derivatives","Organometallics","2007","26","9","2414","","10.1021/om070038l","","","0.71073","MoKα","","0.0364","0.0304","","","0.0714","0.0738","","","","","","0.987","","","","has coordinates","178619","2020-10-21","18:00:00",""
"4073079","7.3257","0.0003","16.5928","0.0008","33.0186","0.0015","90","","90","","90","","4013.5","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Ge2 N4 -","- C20 H26 Ge2 N4 -","- C160 H208 Ge16 N32 -","8","2","","Zabula, Alexander V.; Hahn, F. Ekkehardt; Pape, Tania; Hepp, Alexander","Preparation and Coordination Chemistry of Bidentate Benzimidazoline-2-germylenes","Organometallics","2007","26","8","1972","","10.1021/om070054i","","","1.54178","CuKα","","0.0908","0.0479","","","0.0747","0.0824","","","","","","0.812","","","","has coordinates,has disorder","178619","2020-10-21","18:00:00",""
"4073084","11.2909","0.0018","19.373","0.003","20.89","0.003","90","","90","","90","","4569.4","1.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl3 Ir N2 O P -","- C21 H23 Cl3 Ir N2 O P -","- C168 H184 Cl24 Ir8 N16 O8 P8 -","8","2","","Field, Leslie D.; Messerle, Barbara A.; Vuong, Khuong Q.; Turner, Peter; Failes, Tim","Rhodium(I) and Iridium(I) Complexes with Bidentate Phosphine−Pyrazolyl Ligands: Highly Efficient Catalysts for the Hydroamination Reaction","Organometallics","2007","26","8","2058","","10.1021/om070057v","","","0.71073","MoKα","","0.0423","0.0351","","","0.0814","0.0832","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073105","11.5179","0.0005","19.1156","0.0011","23.1645","0.0011","90","","90","","90","","5100.2","0.4","200","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H37 Cl9 N3 O8 P -","- C46 H37 Cl9 N3 O8 P -","- C184 H148 Cl36 N12 O32 P4 -","4","1","","Constant, Samuel; Frantz, Richard; Müller, Jessica; Bernardinelli, Gérald; Lacour, Jérôme","TRISPHAT-N: A Chiral Hexacoordinated Phosphate Anion with Unique Asymmetric Coordinating Properties","Organometallics","2007","26","9","2141","","10.1021/om070074k","","","0.71073","MoKα","","","0.037","","","","0.034","","","","","","1.65","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073106","14.4833","0.001","19.3609","0.0018","20.7455","0.0013","90","","90","","90","","5817.2","0.8","200","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H20 Cl19 Cu N3 O6 P -","- C45 H20 Cl19 Cu N3 O6 P -","- C180 H80 Cl76 Cu4 N12 O24 P4 -","4","1","","Constant, Samuel; Frantz, Richard; Müller, Jessica; Bernardinelli, Gérald; Lacour, Jérôme","TRISPHAT-N: A Chiral Hexacoordinated Phosphate Anion with Unique Asymmetric Coordinating Properties","Organometallics","2007","26","9","2141","","10.1021/om070074k","","","0.71073","MoKα","","","0.044","","","","0.04","","","","","","1.46","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073117","8.7063","0.001","11.434","0.0017","18.23","0.003","90","","90","","90","","1814.8","0.5","133.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 As2 O8 -","- C14 H18 As2 O8 -","- C56 H72 As8 O32 -","4","1","","Nakahashi, Akiko; Naka, Kensuke; Chujo, Yoshiki","1,4-Dihydro-1,4-diarsinine: Facile Synthesis via Nonvolatile Arsenic Intermediates by Radical Reactions","Organometallics","2007","26","7","1827","","10.1021/om070080g","","","0.71075","MoKα","","","0.0376","","","","0.0906","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073166","15.39","0.003","16.69","0.005","21.375","0.007","90","","90","","90","","5490","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H66 Cl2 N2 P2 Ru -","- C46 H50 Cl2 N2 P2 Ru -","- C184 H200 Cl8 N8 P8 Ru4 -","4","1","","Doherty, Simon; Knight, Julian G.; Bell, Adam L.; Harrington, Ross W.; Clegg, William","Asymmetric Hydrogenation of Ketones with Ruthenium Complexes ofrac- and Enantiopure (S,S)-1,2-Bis((diphenylphosphino)methyl)cyclohexane: A Comparative Study withrac- and (R)-BINAP","Organometallics","2007","26","9","2465","","10.1021/om070129i","","","0.71073","MoKα","","0.0511","0.0413","","","0.1092","0.1132","","","","","","1.107","","","","has coordinates","178620","2020-10-21","18:00:00",""
"4073193","7.632","0.0015","10.454","0.002","11.228","0.002","90","","90","","90","","895.8","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 Fe N -","- C11 H9 Fe N -","- C44 H36 Fe4 N4 -","4","1","","Nemykin, Victor N.; Maximov, Alexander Y.; Koposov, Alexey Y.","Mercury-Free Preparation, Characterization, and Molecular Structure of Tricyanovinylferrocene Using an Unusual Reaction between Ferrocene and Tetracyanoethylene","Organometallics","2007","26","13","3138","","10.1021/om070160k","","","0.71073","MoKα","","0.0287","0.0254","","0.0622","0.0607","0.0607","","","","","","0.9419","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4073217","12.546","0.0012","13.3491","0.0012","16.9911","0.0016","90","","90","","90","","2845.6","0.5","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H48 N O Sm -","- C29 H48 N O Sm -","- C116 H192 N4 O4 Sm4 -","4","1","","Evans, William J.; Montalvo, Elizabeth; Foster, Samuel E.; Harada, Kimberly A.; Ziller, Joseph W.","Reactivity of (C5Me5)2Sm(THF)2with Nitriles: C−C Bond Cleavage To Form Cyanide Complexes","Organometallics","2007","26","11","2904","","10.1021/om070176a","","","0.71073","MoKα","","0.0387","0.0246","","","0.0543","0.0604","","","","","","1.07","","","","has coordinates","178621","2020-10-21","18:00:00",""
"4073271","10.836","0.002","14.243","0.003","32.129","0.006","90","","90","","90","","4958.7","1.7","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H40 Fe O10 P2 Ru4 -","- C52 H40 Fe O10 P2 Ru4 -","- C208 H160 Fe4 O40 P8 Ru16 -","4","1","","Moberg, Viktor; Haukka, Matti; Koshevoy, Igor O.; Ortiz, Roberto; Nordlander, Ebbe","Unprecedented Enantioselectivity in a Cluster-Based Catalytic System","Organometallics","2007","26","17","4090","","10.1021/om070211d","","","0.71073","MoKα","","0.0852","0.0702","","","0.1768","0.183","","","","","","1.123","","","","has coordinates","178621","2020-10-21","18:00:00",""
"4073298","10.2875","0.0002","12.6052","0.0003","16.3796","0.0003","90","","90","","90","","2124.04","0.08","100","","100","","","","","","","","tetrahydrofuran","7","P 21 21 21","P 2ac 2ab","19","","(η^3^-allyl)-(tetrahydrofuran-O)-(1,3-bis(tert-butyl)- imidazol-2-ylidine)-palladium(ii) tetrafluoroborate","","- C18 H33 B F4 N2 O Pd -","- C18 H32.629 B F4 N2 O Pd -","- C72 H130.516 B4 F16 N8 O4 Pd4 -","4","1","","Chernyshova, Eleonora S.; Goddard, Richard; Pörschke, Klaus-Richard","Mononuclear NHC−Pd−π-Allyl Complexes Containing Weakly Coordinating Ligands","Organometallics","2007","26","13","3236","","10.1021/om0702274","","","0.71073","MoKα","","0.0291","0.0268","","","0.0594","0.0604","","","","","","1.07","","","","has coordinates,has disorder","178621","2020-10-21","18:00:00",""
"4073313","8.035","0.002","10.948","0.003","22.256","0.003","90","","90","","90","","1957.8","0.8","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O Zr -","- C21 H33.783 O Zr -","- C84 H135.132 O4 Zr4 -","4","1","","Gurubasavaraj, Prabhuodeyara M.; Roesky, Herbert W.; Sharma, Prabhuodeyara M. Veeresha; Oswald, Rainer B.; Dolle, Volker; Herbst-Irmer, Regine; Pal, Aritra","Oxygen Effect in Heterobimetallic Catalysis: The Zr−O−Ti System as an Excellent Example for Olefin Polymerization‡","Organometallics","2007","26","14","3346","","10.1021/om070235k","","","0.71073","MoKα","","0.0252","0.025","","","0.0621","0.0625","","","","","","1.193","","","","has coordinates,has disorder","178622","2020-10-21","18:00:00",""
"4073326","10.785","0.001","11.946","0.001","26.128","0.001","90","","90","","90","","3366.3","0.4","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H27 Cl2 Cr N3 O7 Ru -","- C36 H27 Cl2 Cr N3 O7 Ru -","- C144 H108 Cl8 Cr4 N12 O28 Ru4 -","4","1","","Hijazi, Akram; Djukic, Jean-Pierre; Allouche, Lionel; de Cian, André; Pfeffer, Michel; Le Goff, Xavier-Frédéric; Ricard, Louis","Stereoselective Cyclometalation of Planar Pro-chiral (η6-Arene)tricarbonylchromium Complexes withOC-6-[Ru(CO)2Cl2]n","Organometallics","2007","26","17","4180","","10.1021/om070239p","","","0.71069","MoKα","","0.0385","0.0351","","","0.0919","0.0938","","","","","","1.05","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073327","9.6","0.001","13.46","0.001","23.374","0.001","90","","90","","90","","3020.3","0.4","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Fe N3 O4 Ru -","- C36 H29 Fe N3 O4 Ru -","- C144 H116 Fe4 N12 O16 Ru4 -","4","1","","Hijazi, Akram; Djukic, Jean-Pierre; Allouche, Lionel; de Cian, André; Pfeffer, Michel; Le Goff, Xavier-Frédéric; Ricard, Louis","Stereoselective Cyclometalation of Planar Pro-chiral (η6-Arene)tricarbonylchromium Complexes withOC-6-[Ru(CO)2Cl2]n","Organometallics","2007","26","17","4180","","10.1021/om070239p","","","0.71069","MoKα","","0.0262","0.0248","","","0.0656","0.0666","","","","","","1.032","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073379","12.5791","0.0005","19.3714","0.0012","22.6823","0.0013","90","","90","","90","","5527.1","0.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H73 Ga N2 Ni2 -","- C65 H73 Ga N2 Ni2 -","- C260 H292 Ga4 N8 Ni8 -","4","1","","Kempter, Andreas; Gemel, Christian; Cadenbach, Thomas; Fischer, Roland A.","Nickel Olefin Complexes Supported by GaI(DDP)†","Organometallics","2007","26","17","4257","","10.1021/om700297t","","","0.71073","MoKα","","0.1871","0.0344","","","0.0378","0.0441","","","","","","0.495","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073388","11.8308","0.001","12.8673","0.001","36.642","0.003","90","","90","","90","","5578","0.8","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C57 H47 Cl6 F3 N O3 P2 Pd S -","- C57 H47 Cl6.016 F3 N O3 P2 Pd S -","- C228 H188 Cl24.064 F12 N4 O12 P8 Pd4 S4 -","4","1","","Nama, Devendrababu; Butti, Pietro; Pregosin, Paul S.","Conformational Changes and Anion−Cation Interactions in Palladium-Cyclometalated BINAP and Chiraphos Cationic Complexes. A Structural Study via NMR and X-ray Methods","Organometallics","2007","26","20","4942","","10.1021/om700299b","","","0.71073","MoKα","","0.0394","0.0371","","","0.0918","0.093","","","","","","1.078","","","","has coordinates","178622","2020-10-21","18:00:00",""
"4073435","20.632","0.004","12.178","0.002","11.572","0.002","90","","90","","90","","2907.5","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 N2 Zr -","- C32 H48 N2 Zr -","- C128 H192 N8 Zr4 -","4","1","","Bach, Marc A.; Beweries, Torsten; Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe","Migratory Insertion of an Isocyanide into 1-Zirconacyclopent-3-ynes","Organometallics","2007","26","18","4592","","10.1021/om700324k","","","0.71073","MoKα","","0.0516","0.0323","","","0.0524","0.0552","","","","","","0.871","","","","has coordinates,has disorder","178623","2020-10-21","18:00:00",""
"4073442","6.2478","0.0004","10.4688","0.0006","20.7139","0.0012","90","","90","","90","","1354.83","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound (R,S~p~)-8","(R,S~p~)-3-[1-(N,N-Dimethylamino)ethyl]-1-hydroxymethyl-ferrocene","","- C15 H21 Fe N O -","- C15 H21 Fe N O -","- C60 H84 Fe4 N4 O4 -","4","1","","Steurer, Marianne; Wang, Yaping; Mereiter, Kurt; Weissensteiner, Walter","Bromide-Mediatedortho-Deprotonation in the Synthesis of Chiral, Nonracemic Ferrocene Derivatives","Organometallics","2007","26","15","3850","","10.1021/om7003282","","","0.71073","MoKα","","0.0208","0.0202","","","0.053","0.0533","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4073466","12.249","0.002","19.506","0.004","23.836","0.005","90","","90","","90","","5695.1","1.9","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H82 Cu Ga N4 O -","- C57 H82 Cu Ga N4 O -","- C228 H328 Cu4 Ga4 N16 O4 -","4","1","","Green, Shaun P.; Jones, Cameron; Mills, David P.; Stasch, Andreas","Group 9 and 11 Metal(I) Gallyl Complexes Stabilized by N-Heterocyclic Carbene Coordination: First Structural Characterization of Ga-M (M = Cu or Ag) Bonds","Organometallics","2007","26","14","3424","","10.1021/om700345m","","","0.71073","MoKα","","0.0434","0.0339","","","0.0748","0.0792","","","","","","1.029","","","","has coordinates,has disorder","178623","2020-10-21","18:00:00",""
"4073487","11.5327","0.0019","13.747","0.002","31.942","0.005","90","","90","","90","","5064.1","1.4","155","2","155","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 S U -","- C27 H38 S U -","- C216 H304 S8 U8 -","8","2","","Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.; DiPasquale, Antonio G.; Heroux, Katie J.; Rheingold, Arnold L.","Formation of (C5Me5)2U(EPh)Me, (C5Me5)2U(EPh)2, and (C5Me5)2U(η2-TeC6H4) from (C5Me5)2UMe2and PhEEPh (E = S, Se, Te)","Organometallics","2007","26","17","4287","","10.1021/om700382a","","","0.71073","MoKα","","0.0398","0.0277","","","0.0523","0.0559","","","","","","1.08","","","","has coordinates","178623","2020-10-21","18:00:00",""
"4073489","10.1421","0.0016","15.659","0.002","19.378","0.003","90","","90","","90","","3077.5","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 Te2 U -","- C32 H40 Te2 U -","- C128 H160 Te8 U4 -","4","1","","Evans, William J.; Miller, Kevin A.; Ziller, Joseph W.; DiPasquale, Antonio G.; Heroux, Katie J.; Rheingold, Arnold L.","Formation of (C5Me5)2U(EPh)Me, (C5Me5)2U(EPh)2, and (C5Me5)2U(η2-TeC6H4) from (C5Me5)2UMe2and PhEEPh (E = S, Se, Te)","Organometallics","2007","26","17","4287","","10.1021/om700382a","","","0.71073","MoKα","","0.0459","0.0385","","","0.0869","0.0899","","","","","","1.088","","","","has coordinates","178623","2020-10-21","18:00:00",""
"4073500","9.348","0.003","18.578","0.006","26.781","0.009","90","","90","","90","","4651","3","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1191 - [PdCl2((R,Sp)-3)].2(C2H4Cl2)","((R,S~p~)-1-Diphenylphosphino-2-(1-bis-(3,5-dimethylphenyl)phosphino)ethyl- ferrocene)-dichloropalladium(II), solvate with 1,2-dichloroethane (1:2)","","- C44 H48 Cl6 Fe P2 Pd -","- C40 H40 Cl2 Fe P2 Pd -","- C160 H160 Cl8 Fe4 P8 Pd4 -","4","1","","Wang, Yaping; Weissensteiner, Walter; Spindler, Felix; Arion, Vladimir B.; Mereiter, Kurt","Synthesis and Use in Asymmetric Hydrogenations of Solely Planar Chiral 1,2-Disubstituted and 1,2,3-Trisubstituted Ferrocenyl Diphosphines: A Comparative Study","Organometallics","2007","26","14","3530","","10.1021/om700405a","","","0.71073","MoKα","","0.1628","0.0778","","","0.122","0.142","","","","","","0.689","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4073501","11.5451","0.0005","17.7582","0.0008","18.3153","0.0008","90","","90","","90","","3755","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","1152 YW238-1 [PdCl2(9c)].(1/2CH2Cl2+1/2EtOH)","((R~p~)-1-Diphenylphosphino-2-bis-(3,5-dimethylphenyl)phosphinomethyl- ferrocene)-dichloropalladium(II), solvate with dichloromethane and ethanol","","- C40.5 H42 Cl3 Fe O0.5 P2 Pd -","- C40.46 H41.38 Cl3.08 Fe O0.46 P2 Pd -","- C161.84 H165.52 Cl12.32 Fe4 O1.84 P8 Pd4 -","4","1","","Wang, Yaping; Weissensteiner, Walter; Spindler, Felix; Arion, Vladimir B.; Mereiter, Kurt","Synthesis and Use in Asymmetric Hydrogenations of Solely Planar Chiral 1,2-Disubstituted and 1,2,3-Trisubstituted Ferrocenyl Diphosphines: A Comparative Study","Organometallics","2007","26","14","3530","","10.1021/om700405a","","","0.71073","MoKα","","0.0238","0.0234","","","0.0554","0.0556","","","","","","1.152","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4073502","9.7526","0.0005","19.0518","0.001","22.4483","0.0012","90","","90","","90","","4171","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1153 YW234 [PdCl2(10c)].solv","((S~p~)-1-Diphenylphosphino-2-bis-(3,5-dimethylphenyl)phosphinomethyl- 3-methyl-ferrocene)-dichloropalladium(II), solvate with unknown solvent","","- C40 H40 Cl2 Fe P2 Pd -","- C40 H40 Cl2 Fe P2 Pd -","- C160 H160 Cl8 Fe4 P8 Pd4 -","4","1","","Wang, Yaping; Weissensteiner, Walter; Spindler, Felix; Arion, Vladimir B.; Mereiter, Kurt","Synthesis and Use in Asymmetric Hydrogenations of Solely Planar Chiral 1,2-Disubstituted and 1,2,3-Trisubstituted Ferrocenyl Diphosphines: A Comparative Study","Organometallics","2007","26","14","3530","","10.1021/om700405a","","","0.71073","MoKα","","0.0331","0.0312","","","0.0749","0.0756","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4073503","9.7252","0.0005","18.5716","0.001","23.1105","0.0014","90","","90","","90","","4174","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","VA YW244 [PdCl2(11c)].CH2Cl2","(S~p~)-1-Diphenylphosphino-2-bis-(3,5-dimethylphenyl)phosphinomethyl- 3-phenyl-ferrocene)-dichloropalladium(II) dichloromethane solvate","","- C46 H44 Cl4 Fe P2 Pd -","- C46 H44 Cl4 Fe P2 Pd -","- C184 H176 Cl16 Fe4 P8 Pd4 -","4","1","","Wang, Yaping; Weissensteiner, Walter; Spindler, Felix; Arion, Vladimir B.; Mereiter, Kurt","Synthesis and Use in Asymmetric Hydrogenations of Solely Planar Chiral 1,2-Disubstituted and 1,2,3-Trisubstituted Ferrocenyl Diphosphines: A Comparative Study","Organometallics","2007","26","14","3530","","10.1021/om700405a","","","0.71073","MoKα","","0.0738","0.0497","","","0.1085","0.1215","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4073551","7.783","0.003","14.181","0.005","20.516","0.007","90","","90","","90","","2264.4","1.4","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl3 Cr N2 S2 -","- C21 H20 Cl3 Cr N2 S2 -","- C84 H80 Cl12 Cr4 N8 S8 -","4","1","","Temple, Claire N.; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","New Insight into the Role of the Metal Oxidation State in Controlling the Selectivity of the Cr-(SNS) Ethylene Trimerization Catalyst","Organometallics","2007","26","18","4598","","10.1021/om700452u","","","0.71073","MoKα","","0.0565","0.0421","","","0.0995","0.1083","","","","","","1.034","","","","has coordinates","178624","2020-10-21","18:00:00",""
"4073632","7.3494","0.0003","17.3675","0.0007","18.568","0.0008","90","","90","","90","","2370.03","0.17","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 B10 Cl Fe N P -","- C16 H29 B10 Cl Fe N P -","- C64 H116 B40 Cl4 Fe4 N4 P4 -","4","1","","Tschirschwitz, Steffen; Lönnecke, Peter; Hey-Hawkins, Evamarie","Stereoselective Synthesis ofortho-Carbaborane-ContainingP-Chiral Phosphanylferrocenes†","Organometallics","2007","26","19","4715","","10.1021/om700503t","","","0.71073","MoKα","","0.0425","0.0404","","","0.0895","0.0903","","","","","","1.25","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073638","11.202","0.002","20.432","0.004","22.582","0.005","90","","90","","90","","5168.6","1.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H72 Lu N3 O3 Si3 -","- C47 H72 Lu N3 O3 Si3 -","- C188 H288 Lu4 N12 O12 Si12 -","4","1","","Lukešová, Lenka; Ward, Benjamin D.; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","C3-Symmetric Chiral Organolanthanide Complexes: Synthesis, Characterization, and Stereospecific Polymerization of α-Olefins‖","Organometallics","2007","26","18","4652","","10.1021/om700504f","","x-ray","0.71073","MoKα","","0.0456","0.0387","","","0.0604","0.0621","","","","","","1.058","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073647","10.124","0.003","20.119","0.005","24.693","0.007","90","","90","","90","","5030","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H75 F3 N2 O3 P2 S -","- C47 H75 F3 N2 O3 P2 S -","- C188 H300 F12 N8 O12 P8 S4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Schiffhauer, Matthew F.; Davidson, Fredric; McEwen, Charles N.; Keys, Dalen E.","Aromatic 1H-[1,2]Diphosphole with a Planar Tricoordinated Phosphorus, Plus η2-Coordination Mode between Ruthenium(0) and a Phosphaalkene†","Organometallics","2007","26","20","5050","","10.1021/om7005084","","","0.71073","MoKα","","0.2069","0.0777","","","0.1552","0.2066","","","","","","0.994","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073652","12.0743","0.0017","15.241","0.002","16.79","0.002","90","","90","","90","","3089.8","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H53 B F4 N2 Os P2 -","- C25 H53 B F4 N2 Os P2 -","- C100 H212 B4 F16 N8 Os4 P8 -","4","1","","Baya, Miguel; Eguillor, Beatriz; Esteruelas, Miguel A.; Lledós, Agustí; Oliván, Montserrat; Oñate, Enrique","Coordination and Rupture of Methyl C(sp3)−H Bonds in Osmium−Polyhydride Complexes with δ Agostic Interaction","Organometallics","2007","26","21","5140","","10.1021/om700509d","","","0.71073","MoKα","","0.0469","0.035","","","0.065","0.0669","","","","","","0.927","","","","has coordinates,has disorder","178625","2020-10-21","18:00:00",""
"4073662","12.9182","0.0018","17.933","0.002","20.0578","0.0017","90","","90","","90","","4646.6","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H42 Cl4 P2 Ru S -","- C52 H42 Cl4 P2 Ru S -","- C208 H168 Cl16 P8 Ru4 S4 -","4","1","","Cowley, Andrew R.; Hector, Andrew L.; Hill, Anthony F.; White, Andrew J. P.; Williams, David J.; Wilton-Ely, James D. E. T.","Synthesis and Reactions of Five-Coordinate Mono- and Binuclear Thiocarbonyl−Alkenyl and Thioacyl Complexes of Ruthenium(II)","Organometallics","2007","26","25","6114","","10.1021/om700518m","","","0.71073","MoKα","","0.0621","0.0404","","","0.0818","0.0866","","","","","","0.891","","","","has coordinates,has disorder","178625","2020-10-21","18:00:00",""
"4073693","9.8424","0.0001","10.6075","0.0001","23.6117","0.0004","90","","90","","90","","2465.14","0.05","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-(diphenylphosphino)-1-(N-benzylcarbamoyl)ferrocene","","- C30 H26 Fe N O P -","- C30 H26 Fe N O P -","- C120 H104 Fe4 N4 O4 P4 -","4","1","","Lamač, Martin; Tauchman, Jiří; Císařová, Ivana; Štěpnička, Petr","Preparation of Chiral Phosphinoferrocene Carboxamide Ligands and Their Application to Palladium-Catalyzed Asymmetric Allylic Alkylation","Organometallics","2007","26","20","5042","","10.1021/om700542s","","","0.71073","MoKα","","0.0311","0.0268","","","0.0589","0.0611","","","","","","1.067","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073694","9.4409","0.0001","15.8585","0.0002","28.5158","0.0003","90","","90","","90","","4269.34","0.08","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H45 Cl Fe N O6 P Pd -","- C48 H45 Cl Fe N O6 P Pd -","- C192 H180 Cl4 Fe4 N4 O24 P4 Pd4 -","4","1","","Lamač, Martin; Tauchman, Jiří; Císařová, Ivana; Štěpnička, Petr","Preparation of Chiral Phosphinoferrocene Carboxamide Ligands and Their Application to Palladium-Catalyzed Asymmetric Allylic Alkylation","Organometallics","2007","26","20","5042","","10.1021/om700542s","","","0.71073","MoKα","","0.039","0.033","","","0.0772","0.0809","","","","","","1.05","","","","has coordinates","178625","2020-10-21","18:00:00",""
"4073733","10.9968","0.0005","15.9651","0.0008","26.2519","0.0012","90","","90","","90","","4608.9","0.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chloro{3-[2-(hydroxy-k<i>O</i>)-5-nitrobenzyl]-1-(2,4,6- trimethylphenyl)-\1<i>H</i>-imidazol-3-ium-2-yl-k<i>C</i>^2^} {[2-(1-methylethoxy)phenyl][3-(5-νitro-2-oxidobenzyl)-1-(2,4,6- trimethylphenyl)-1<i>H</i>-imidazol-3-ium-2-ψl]methylidene} ruthenium(IV) dichloromethane solvate","","- C49 H49 Cl3 N6 O7 Ru -","- C49 H49 Cl3 N6 O7 Ru -","- C196 H196 Cl12 N24 O28 Ru4 -","4","1","","Occhipinti, Giovanni; Bjørsvik, Hans-René; Törnroos, Karl Wilhelm; Fürstner, Alois; Jensen, Vidar R.","The First Imidazolium-Substituted Metal Alkylidene","Organometallics","2007","26","18","4383","","10.1021/om700590v","","","0.71073","MoKα","","0.0558","0.0415","","","0.0953","0.1036","","","","","","1.082","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073788","10.279","0.005","12.861","0.005","21.041","0.005","90","0.005","90","0.005","90","0.005","2781.6","1.9","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F6 Fe O3 P2 -","- C27 H24 F6 Fe O3 P2 -","- C108 H96 F24 Fe4 O12 P8 -","4","1","","Chaudhury, Subhabrata; Li, Shukun; Bennett, Dennis W.; Siddiquee, Tasneem; Haworth, Daniel T.; Donaldson, William A.","Preparation, Characterization, and Reactivity of (3-Methylpentadienyl)iron(1+) Cations","Organometallics","2007","26","22","5295","","10.1021/om7006248","","x-ray","0.71069","MoKα","","0.0753","0.0563","","","0.1307","0.1424","","","","","","1.058","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073798","13.5851","0.0016","16.976","0.002","22.353","0.003","90","","90","","90","","5155.1","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 Cl2 N4 Rh2 -","- C60 H68 Cl2 N4 Rh2 -","- C240 H272 Cl8 N16 Rh8 -","4","1","","Jeletic, Matthew S.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Mono- and Bimetallic Rhodium(I) Complexes Supported by NewC2-Symmetric Bis-N-heterocyclic Carbene Ligands: Metalation via CC Bond Cleavage under Mild Conditions","Organometallics","2007","26","22","5267","","10.1021/om700630u","","","0.71073","MoKα","","0.0573","0.0454","","","0.0744","0.0776","","","","","","1.032","","","","has coordinates","178626","2020-10-21","18:00:00",""
"4073854","11.236","0.002","17.36","0.004","68.727","0.014","90","","90","","90","","13406","5","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H54 N5 O Si2 Sm -","- C47 H54 N5 O Si2 Sm -","- C564 H648 N60 O12 Si24 Sm12 -","12","3","","Xiang, Li; Wang, Qiuwen; Song, Haibin; Zi, Guofu","Synthesis, Structural Characterization, and Reactivity of Organolanthanides Derived from a New Chiral Ligand, (R)-Bis(pyrrol-2-ylmethyleneamino)-1,1‘-binaphthyl","Organometallics","2007","26","22","5323","","10.1021/om7006826","","","0.71073","MoKα","","0.0622","0.0483","","","0.0728","0.0763","","","","","","1.005","","","","has coordinates,has disorder","178627","2020-10-21","18:00:00",""
"4073855","11.179","0.003","17.442","0.005","68.466","0.019","90","","90","","90","","13350","6","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H54 N5 O Si2 Y -","- C47 H54 N5 O Si2 Y -","- C564 H648 N60 O12 Si24 Y12 -","12","3","","Xiang, Li; Wang, Qiuwen; Song, Haibin; Zi, Guofu","Synthesis, Structural Characterization, and Reactivity of Organolanthanides Derived from a New Chiral Ligand, (R)-Bis(pyrrol-2-ylmethyleneamino)-1,1‘-binaphthyl","Organometallics","2007","26","22","5323","","10.1021/om7006826","","","0.7107","MoKα","","0.1019","0.0526","","","0.0572","0.0669","","","","","","0.822","","","","has coordinates,has disorder","178627","2020-10-21","18:00:00",""
"4073886","11.49","0.001","17.566","0.001","19.304","0.001","90","","90","","90","","3896.2","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H56 N2 O4 Pt -","- C40 H56 N2 O4 Pt -","- C160 H224 N8 O16 Pt4 -","4","1","","Berthon-Gelloz, Guillaume; Schumers, Jean-Marc; Lucaccioni, Fabio; Tinant, Bernard; Wouters, Johan; Markó, István E.","Expedient, Direct Synthesis of (L)Pt(0)(1,6-diene) Complexes from H2PtCl6","Organometallics","2007","26","23","5731","","10.1021/om7007088","","","0.71069","MoKα","","0.0278","0.0273","","","0.0789","0.0793","","","","","","1.217","","","","has coordinates","178627","2020-10-21","18:00:00",""
"4073895","6.4686","0.0011","13.64","0.002","23.973","0.004","90","","90","","90","","2115.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","fluoroester","","","- C20 H29 F O6 -","- C20 H29 F O6 -","- C80 H116 F4 O24 -","4","1","","Althaus, Martin; Becker, Claus; Togni, Antonio; Mezzetti, Antonio","Ruthenium-Catalyzed Asymmetric Electrophilic Fluorination of 1,3-Dicarbonyl Compounds","Organometallics","2007","26","24","5902","","10.1021/om700714u","","x-ray","0.71073","MoKα","","0.0459","0.0394","","","0.1047","0.1101","","","","","","1.036","","","","has coordinates","178627","2020-10-21","18:00:00",""
"4073937","14.805","0.002","17.604","0.002","18.045","0.003","90","","90","","90","","4703","1.1","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H57 Au Ir O2 P S2 Zr -","- C46 H48 Au Ir O2 P S2 Zr -","- C184 H192 Au4 Ir4 O8 P4 S8 Zr4 -","4","1","","Hernandez-Gruel, Marc A. F.; Dobrinovitch, Isabel T.; Lahoz, Fernando J.; Oro, Luis A.; Pérez-Torrente, Jesús J.","The Anions [Cptt2Zr(μ-S)2M(CO)2]-(M = Rh, Ir) as Versatile Precursors for the Synthesis of Sulfido-Bridged Early−Late Heterotrimetallic (ELHT) Compounds†","Organometallics","2007","26","25","6437","","10.1021/om700749n","","","0.71073","MoKα","","0.0658","0.0439","","","0.0748","0.0808","","","","","","1.012","","","","has coordinates,has disorder","178628","2020-10-21","18:00:00",""
"4073957","12.9196","0.0007","15.5471","0.0009","19.9986","0.0011","90","","90","","90","","4017","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H28 Fe O10 Os3 P2 -","- C44 H28 Fe O10 Os3 P2 -","- C176 H112 Fe4 O40 Os12 P8 -","4","1","","Begum, Noorjahan; Das, Uttam K.; Hassan, Manzur; Hogarth, Graeme; Kabir, Shariff E.; Nordlander, Ebbe; Rahman, Mohammad A.; Tocher, Derek A.","Chelate and Bridge Diphosphine Isomerization: Triosmium and Triruthenium Clusters Containing 1,1‘-Bis(diphenylphosphino)ferrocene (dppf)","Organometallics","2007","26","25","6462","","10.1021/om700759z","","","0.71073","MoKα","","0.0199","0.0194","","","0.0424","0.0426","","","","","","1.082","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4073998","12.3689","0.0015","13.8132","0.0016","41.361","0.005","90","","90","","90","","7066.7","1.5","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C82 H101 B2 Lu O7 -","- C82 H101 B2 Lu O7 -","- C328 H404 B8 Lu4 O28 -","4","1","","Zeimentz, Peter M.; Okuda, Jun","Cationic Aryl Complexes of the Rare-Earth Metals","Organometallics","2007","26","25","6388","","10.1021/om7007953","","","0.71073","MoKα","","0.1024","0.0692","","","0.145","0.1555","","","","","","1.019","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4074036","11.452","0.0003","14.895","0.0004","19.789","0.0005","90","","90","","90","","3375.56","0.15","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H52 B F4 Fe N P Rh -","- C35 H52 B F4 Fe N P Rh -","- C140 H208 B4 F16 Fe4 N4 P4 Rh4 -","4","1","","Wechsler, Dominik; Rankin, Matthew A.; McDonald, Robert; Ferguson, Michael J.; Schatte, Gabriele; Stradiotto, Mark","New Racemic Planar-Chiral Metalloligands Derived from Donor-Substituted Indenes: A Synthetic, Structural, and Catalytic Investigation","Organometallics","2007","26","25","6418","","10.1021/om700832f","","","0.71073","MoKα","","0.0589","0.0441","","","0.0884","0.0979","","","","","","1.066","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074079","6.862","0.01","12.46","0.02","24.04","0.04","90","","90","","90","","2055","6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F3 N O3 -","- C22 H26 F3 N O3 -","- C88 H104 F12 N4 O12 -","4","1","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Efficient Asymmetric Carbonyl-Ene Reactions Catalyzed by Platinum Metal Lewis Acid Complexes of Conformationally Flexible NUPHOS Diphosphines: A Comparison with BINAP","Organometallics","2007","26","25","6453","","10.1021/om700954s","","","0.71073","MoKα","","0.0973","0.0661","","","0.136","0.1501","","","","","","1.115","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074081","8.6828","0.0018","11.9631","0.0008","19.144","0.003","90","","90","","90","","1988.5","0.5","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 F6 O6 -","- C17 H22 F6 O6 -","- C68 H88 F24 O24 -","4","1","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Efficient Asymmetric Carbonyl-Ene Reactions Catalyzed by Platinum Metal Lewis Acid Complexes of Conformationally Flexible NUPHOS Diphosphines: A Comparison with BINAP","Organometallics","2007","26","25","6453","","10.1021/om700954s","","","0.71073","MoKα","","0.0596","0.0527","","","0.1416","0.149","","","","","","1.162","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074083","8.9987","0.0001","12.015","0.0002","20.4041","0.0003","90","","90","","90","","2206.08","0.05","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Li N3 Si3 -","- C16 H36 Li N3 Si3 -","- C64 H144 Li4 N12 Si12 -","4","1","","Coles, Martyn P.; Sözerli, Sebnem E.; Smith, J. David; Hitchcock, Peter B.","Metal Complexes of Guanidine-Substituted Alkyl Ligands: An Unsolvated Monomeric Two-Coordinate Organolithium","Organometallics","2007","26","27","6691","","10.1021/om700963c","","x-ray","0.71073","MoKα","","0.0287","0.0266","","","0.0701","0.0715","","","","","","1.056","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074091","10.7685","0.0004","16.9735","0.0007","22.2085","0.0009","90","","90","","90","","4059.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H48 N P Zr -","- C51 H48 N P Zr -","- C204 H192 N4 P4 Zr4 -","4","1","","Oulié, Pascal; Freund, Christelle; Saffon, Nathalie; Martin-Vaca, Blanca; Maron, Laurent; Bourissou, Didier","Enforced η1-Fluorenyl and Indenyl Coordination to Zirconium: Geometrically Constrained and Sterically Expanded Complexes Derived from the Bifunctional (FluPPh2NAr)−and (IndPPh2NAr)−Ligands","Organometallics","2007","26","27","6793","","10.1021/om700974g","","","0.71073","MoKα","","0.1093","0.0454","","","0.0622","0.0758","","","","","","0.743","","","","has coordinates","178629","2020-10-21","18:00:00",""
"4074096","11.189","0.003","25.149","0.006","28.964","0.007","90","","90","","90","","8150","4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CpFeCl(CO)2TRIMEB","","","- C70 H117 Cl Fe O37 -","- C70 H117 Cl Fe O37 -","- C280 H468 Cl4 Fe4 O148 -","4","1","","Balula, Salete S.; Coelho, Ana C.; Braga, Susana S.; Hazell, Alan; Valente, Anabela A.; Pillinger, Martyn; Seixas, João D.; Romão, Carlos C.; Gonçalves, Isabel S.","Influence of Cyclodextrins on Catalytic Olefin Epoxidation with Metal‒Carbonyl Compounds. Crystal Structure of the TRIMEB Complex with CpFe(CO)2Cl","Organometallics","2007","26","27","6857","","10.1021/om701025z","","","0.71073","MoKα","","","0.08","","","","0.09","","","","","","1.404","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074125","9.197","0.003","9.923","0.004","20.785","0.004","90","","90","","90","","1896.9","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","chloro-methyl-(2,2-bis[(4S)-(4,5-dihydro)-4-(1-methylethyl)‒1,3- oxazol-2yl]propane,N,N')-palladium(II)","","- C16 H29 Cl N2 O2 Pd -","- C16 H29 Cl N2 O2 Pd -","- C64 H116 Cl4 N8 O8 Pd4 -","4","1","","Schätz, Alexander; Scarel, Alessandro; Zangrando, Ennio; Mosca, Luca; Carfagna, Carla; Gissibl, Anja; Milani, Barbara; Reiser, Oliver","High Stereocontrol and Efficiency in CO/Styrene Polyketone Synthesis Promoted by Azabis(oxazoline)−Palladium Complexes","Organometallics","2006","25","17","4065","","10.1021/om060424n","","","0.71073","Mokα","","0.0556","0.0349","","","0.0691","0.0743","","","","","","0.981","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074126","9.944","0.003","11.18","0.003","16.186","0.005","90","","90","","90","","1799.5","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","chloro-methyl-bis[(4S)-(4,5-dihydro)-4-(1-methylethyl)- -1,3-oxazol-2yl,N,N']methylamine-palladium(II)","","- C14 H26 Cl N3 O2 Pd -","- C14 H26 Cl N3 O2 Pd -","- C56 H104 Cl4 N12 O8 Pd4 -","4","1","","Schätz, Alexander; Scarel, Alessandro; Zangrando, Ennio; Mosca, Luca; Carfagna, Carla; Gissibl, Anja; Milani, Barbara; Reiser, Oliver","High Stereocontrol and Efficiency in CO/Styrene Polyketone Synthesis Promoted by Azabis(oxazoline)−Palladium Complexes","Organometallics","2006","25","17","4065","","10.1021/om060424n","","","0.71073","Mokα","","0.0681","0.0512","","","0.1283","0.1357","","","","","","0.95","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074145","9.409","0.001","13.163","0.003","20.138","0.003","90","","90","","90","","2494.1","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Fe O3 -","- C31 H32 Fe O3 -","- C124 H128 Fe4 O12 -","4","1","","Ferber, Benoît; Top, Siden; Vessières, Anne; Welter, Richard; Jaouen, Gérard","Synthesis of Optically Pureo-Formylcyclopentadienyl Metal Complexes of 17α-Ethynylestradiol. Recognition of the Planar Chirality by the Estrogen Receptor","Organometallics","2006","25","24","5730","","10.1021/om060438t","","","0.71069","MoKα","","0.0775","0.0416","","","0.0939","0.1032","","","","","","0.941","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074154","11.875","0.003","17.555","0.005","24.061","0.007","90","","90","","90","","5016","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H45 Cl2 O11 P2 Rh S -","- C50 H45 Cl2 O11 P2 Rh S -","- C200 H180 Cl8 O44 P8 Rh4 S4 -","4","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.296","0.078","","","0.1451","0.2147","","","","","","0.93","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074212","8.1742","0.0003","11.331","0.001","26.6412","0.0005","90","","90","","90","","2467.6","0.2","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 Cl N2 O2 P2 Ru -","- C23 H35 Cl N2 O2 P2 Ru -","- C92 H140 Cl4 N8 O8 P8 Ru4 -","4","1","","Weng, Wei; Parkin, Sean; Ozerov, Oleg V.","Double C−H Activation Results in Ruthenium Complexes of a Neutral PCP Ligand with a Central Carbene Moiety","Organometallics","2006","25","22","5345","","10.1021/om060464r","","","0.71073","MoKα","","0.0847","0.0479","","","0.1013","0.1072","","","","","","1.048","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074217","10.7505","0.0017","11.7485","0.0019","12.266","0.002","90","","90","","90","","1549.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 B2 N2 V -","- C16 H22 B2 N2 V -","- C64 H88 B8 N8 V4 -","4","1","","Braunschweig, Holger; Lutz, Matthias; Radacki, Krzysztof; Schaumlöffel, Anu; Seeler, Fabian; Unkelbach, Christian","Facile Syntheses of Trovacene, the Formation of [n]Boratrovacenophanes (n= 1, 2), and Their Reactivity toward [Pt(PEt3)4]","Organometallics","2006","25","19","4433","","10.1021/om060471f","","","0.71073","MoKα","","0.0513","0.0489","","","0.1107","0.1117","","","","","","1.217","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074361","10.7428","0.0008","12.6053","0.0012","28.474","0.002","90","","90","","90","","3855.8","0.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 Cl N O2 P2 Rh -","- C44 H41 Cl N O2 P2 Rh -","- C176 H164 Cl4 N4 O8 P8 Rh4 -","4","1","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","Rhodium(III) Peroxo Complexes Containing Carbene and Phosphine Ligands","Organometallics","2006","25","20","4870","","10.1021/om060576i","","","0.71073","MoKα","","0.066","0.0415","","","0.0887","0.1001","","","","","","0.979","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074365","10.14","0.0015","8.394","0.0004","15.221","0.002","90","","90","","90","","1295.5","0.3","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl2 N4 Pd -","- C10 H14 Cl2 N4 Pd -","- C40 H56 Cl8 N16 Pd4 -","4","1","","Ahrens, Sebastian; Zeller, Alexander; Taige, Maria; Strassner, Thomas","Extension of the Alkane Bridge in BisNHC−Palladium−Chloride Complexes. Synthesis, Structure, and Catalytic Activity","Organometallics","2006","25","22","5409","","10.1021/om060577a","","","0.71073","MoKα","","0.0233","0.0188","","","0.0374","0.0384","","","","","","1.042","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074399","8.5573","0.0002","14.108","0.0002","18.5066","0.0002","90","","90","","90","","2234.23","0.07","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","Ti(N-3,5-C6H3(CF3)2)(Me3[9]aneN3)Me2","","- C19 H30 F6 N4 Ti -","- C19 H30 F6 N4 Ti -","- C76 H120 F24 N16 Ti4 -","4","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","0.0508","0.0414","","0.0574","0.0487","0.0487","","","","","","1.0932","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074403","10.3213","0.0018","15.712","0.003","28.338","0.005","90","","90","","90","","4595.5","1.4","218","2","218","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H59 P3 Pt -","- C40 H59 P3 Pt -","- C160 H236 P12 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0373","0.0326","","","0.0855","0.0865","","","","","","1.01","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074405","10.2606","0.001","18.4791","0.0019","41.283","0.004","90","","90","","90","","7827.5","1.3","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 I P3 Pt -","- C34 H54 I P3 Pt -","- C272 H432 I8 P24 Pt8 -","8","2","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0476","0.0386","","","0.0872","0.0899","","","","","","1.028","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074406","9.935","0.002","17.704","0.004","22.109","0.005","90","","90","","90","","3888.7","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H54 Cl D6 P3 Pt -","- C40 H60 Cl P3 Pt -","- C160 H240 Cl4 P12 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0504","0.0423","","","0.0933","0.0964","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074407","9.9966","0.0015","19.761","0.002","24.836","0.004","90","","90","","90","","4906.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H80 P4 Pt -","- C50 H80 P4 Pt -","- C200 H320 P16 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0338","0.0284","","","0.0536","0.0548","","","","","","0.962","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074408","11.0214","0.0018","13.219","0.002","30.925","0.005","90","","90","","90","","4505.5","1.2","218","2","218","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H60 B Cl2 F4 P3 Pt -","- C41 H60 B Cl2 F4 P3 Pt -","- C164 H240 B4 Cl8 F16 P12 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0322","0.029","","","0.0638","0.065","","","","","","1.001","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074409","8.326","0.004","20.847","0.01","23.51","0.11","90","","90","","90","","4081","19","208","2","208","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 B Cl F4 P3 Pt -","- C34 H55 B Cl F4 P3 Pt -","- C136 H220 B4 Cl4 F16 P12 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0894","0.0641","","","0.1229","0.131","","","","","","1.057","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074461","10.6504","0.0002","14.0567","0.0002","28.1451","0.0007","90","","90","","90","","4213.59","0.14","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H52 N2 P2 Ru -","- C50 H52 N2 P2 Ru -","- C200 H208 N8 P8 Ru4 -","4","1","","Clapham, Sean E.; Guo, Rongwei; Zimmer-De Iuliis, Marco; Rasool, Nailyn; Lough, Alan; Morris, Robert H.","Probing the Effect of the Ligand X on the Properties and Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2(X = OPh, 4-SC6H4OCH3, OPPh2, OP(OEt)2, CCPh, NCCHCN, CH(COOMe)2; diamine = 2,3-Diamino-2,3-dimethylbutane, (R,R)-1,2-Diaminocyclohexane)","Organometallics","2006","25","22","5477","","10.1021/om060661q","","","0.71073","MoKα","","0.0654","0.0416","","","0.0832","0.0937","","","","","","1.023","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074524","9.4689","0.0004","14.379","0.0006","19.3448","0.0009","90","","90","","90","","2633.9","0.2","243","2","243","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C104 H124 N4 O16 P8 W4 -","- C104 H124 N4 O16 P8 W4 -","- C104 H124 N4 O16 P8 W4 -","1","0.25","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0211","0.0184","","","0.0411","0.0421","","","","","","1.032","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074529","10.9509","0.0004","13.9651","0.0005","28.37","0.0011","90","","90","","90","","4338.6","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H55 Au N2 O9 S -","- C41 H55 Au N2 O9 S -","- C164 H220 Au4 N8 O36 S4 -","4","1","","de Frémont, Pierre; Stevens, Edwin D.; Eelman, Melanie D.; Fogg, Deryn E.; Nolan, Steven P.","Synthesis and Characterization of Gold(I)N-Heterocyclic Carbene Complexes Bearing Biologically Compatible Moieties","Organometallics","2006","25","24","5824","","10.1021/om060733d","","","0.71073","MoKα","","0.0531","0.0392","","","0.0912","0.0958","","","","","","1.063","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074542","8.9474","0.0013","13.912","0.002","17.268","0.003","90","","90","","90","","2149.5","0.6","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl2 N2 P Pd -","- C23 H23 Cl2 N2 P Pd -","- C92 H92 Cl8 N8 P4 Pd4 -","4","1","","Hahn, F. Ekkehardt; Jahnke, Mareike C.; Pape, Tania","Synthesis of Palladium and Platinum Complexes with Phosphine-Functionalized Benzimidazolin-2-ylidene Ligands","Organometallics","2006","25","25","5927","","10.1021/om060741u","","","0.71073","MoKα","","0.0534","0.0463","","","0.1028","0.1058","","","","","","1.036","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074555","7.965","0.009","16.941","0.017","17.97","0.02","90","","90","","90","","2425","5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N3 O Pt -","- C24 H33 N3 O Pt -","- C96 H132 N12 O4 Pt4 -","4","1","","Halder, Sarmistha; Drew, Michael G. B.; Bhattacharya, Samaresh","Unusual Transformation of Trialkylamines Mediated by Platinum","Organometallics","2006","25","26","5969","","10.1021/om0607494","","","0.71073","MoKα","","0.1534","0.1037","","","0.1374","0.1529","","","","","","1.168","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074560","11.0643","0.001","11.9701","0.0011","21.7303","0.0019","90","","90","","90","","2878","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 Cl N3 O2 Rh -","- C27 H32 Cl N3 O2 Rh -","- C108 H128 Cl4 N12 O8 Rh4 -","4","1","","Ito, Jun-ichi; Miyakawa, Takeshi; Nishiyama, Hisao","Carbon−Carbon Bond Formation on a Bis(oxazolinyl)phenyl−Rhodium Complex in a Reduction and Oxidative Addition Sequence","Organometallics","2006","25","22","5216","","10.1021/om0607595","","","0.71073","MoKα","","0.0692","0.0545","","","0.1034","0.108","","","","","","1.029","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074564","11.4072","0.0003","11.7698","0.0003","23.2188","0.0005","90","","90","","90","","3117.37","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 F6 N3 Pd S Sb -","- C30 H32 F6 N3 Pd S Sb -","- C120 H128 F24 N12 Pd4 S4 Sb4 -","4","1","","Ros, Abel; Monge, David; Alcarazo, Manuel; Álvarez, Eleuterio; Lassaletta, José M.; Fernández, Rosario","Synthesis, Structure, and Applications ofN-Dialkylamino-N‘-alkylimidazol-2-ylidenes as a New Type of NHC Ligands§","Organometallics","2006","25","26","6039","","10.1021/om060788f","","","0.71073","MoKα","","0.0142","0.0137","","","0.035","0.0352","","","","","","1.102","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074565","8.512","0.005","15.229","0.005","18.541","0.005","90","","90","","90","","2403.5","1.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 Eu O -","- C24 H40 Eu O -","- C96 H160 Eu4 O4 -","4","1","","Moore, Jennifer A.; Cowley, Alan H.; Gordon, John C.","Mediating Oxidation States in Decamethyleuropocene Complexes. The Role of the Diazabutadiene Fragment","Organometallics","2006","25","22","5207","","10.1021/om060793j","","","0.71073","MoKα","","0.078","0.0489","","","0.1024","0.1134","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074573","9.94","0.001","11.8053","0.0012","21.397","0.002","90","","90","","90","","2510.8","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 F23 O3 P2 Pt S -","- C11 H6 F23 O3 P2 Pt S -","- C44 H24 F92 O12 P8 Pt4 S4 -","4","1","","Butikofer, Jeffrey L.; Parson, Thomas G.; Roddick, Dean M.","Adduct Studies and Reactivity oftrans-[(C2F5)2MeP]2Pt(Me)X (X = O2CCF3, OTF, OSO2F)","Organometallics","2006","25","26","6108","","10.1021/om060847p","","","0.71073","MoKα","","0.0301","0.0289","","","0.0687","0.069","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074578","8.6825","0.0005","11.6053","0.0007","17.119","0.001","90","","90","","90","","1724.96","0.18","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 Cl2 N Ru S2 -","- C13 H21 Cl2 N Ru S2 -","- C52 H84 Cl8 N4 Ru4 S8 -","4","1","","Kuan, Seah Ling; Tay, Elaine Phuay Leng; Leong, Weng Kee; Goh, Lai Yoong; Lin, Ching Yeh; Gill, Peter M. W.; Webster, Richard D.","Highly Oxidized Ruthenium Organometallic Compounds. The Synthesis and One-Electron Electrochemical Oxidation of [Cp*RuIVCl2(S2CR)] (Cp* = η5-C5Me5, R = NMe2, NEt2, OiPr)","Organometallics","2006","25","26","6134","","10.1021/om060866z","","","0.71073","MoKα","","0.0631","0.0444","","","0.0688","0.0734","","","","","","0.869","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074579","9.3012","0.0004","12.2982","0.0005","28.5968","0.0013","90","","90","","90","","3271.1","0.2","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 F12 N5 P2 Ru S2 -","- C21 H33 F12 N5 P2 Ru S2 -","- C84 H132 F48 N20 P8 Ru4 S8 -","4","1","","Kuan, Seah Ling; Tay, Elaine Phuay Leng; Leong, Weng Kee; Goh, Lai Yoong; Lin, Ching Yeh; Gill, Peter M. W.; Webster, Richard D.","Highly Oxidized Ruthenium Organometallic Compounds. The Synthesis and One-Electron Electrochemical Oxidation of [Cp*RuIVCl2(S2CR)] (Cp* = η5-C5Me5, R = NMe2, NEt2, OiPr)","Organometallics","2006","25","26","6134","","10.1021/om060866z","","","0.71073","MoKα","","0.0589","0.052","","","0.1153","0.1186","","","","","","1.097","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074595","9.7296","0.0006","15.4985","0.0009","19.1019","0.0012","90","","90","","90","","2880.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 P3 Pt -","- C29 H42 P3 Pt -","- C116 H168 P12 Pt4 -","4","1","","Scriban, Corina; Wicht, Denyce K.; Glueck, David S.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.","Platinum(II) Phosphido Complexes as Metalloligands. Structural and Spectroscopic Consequences of Conversion from Terminal to Bridging Coordination","Organometallics","2006","25","14","3370","","10.1021/om050149p","","","0.71073","MoKα","","0.0875","0.0607","","","0.1455","0.1552","","","","","","1.002","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074603","6.1801","0.0003","11.281","0.0008","19.654","0.002","90","","90","","90","","1370.23","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 O4 S -","- C11 H22 O4 S -","- C44 H88 O16 S4 -","4","1","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0762","0.0496","","","0.0973","0.1054","","","","","","1.092","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4074604","9.71","0.001","12.271","0.001","19.457","0.002","90","","90","","90","","2318.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 B P -","- C24 H40 B P -","- C96 H160 B4 P4 -","4","1","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0934","0.054","","","0.0966","0.1093","","","","","","0.99","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074605","6.414","0.001","12.288","0.003","29.44","0.006","90","","90","","90","","2320.3","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 B P -","- C26 H32 B P -","- C104 H128 B4 P4 -","4","1","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0888","0.0582","","","0.1078","0.1167","","","","","","1.085","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074667","12.616","0.001","16.946","0.002","23.175","0.002","90","","90","","90","","4954.6","0.8","150.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H70 F12 P6 Rh2 -","- C38 H70 F12 P6 Rh2 -","- C152 H280 F48 P24 Rh8 -","4","1","","Imamoto, Tsuneo; Yashio, Keiji; Crépy, Karen V. L.; Katagiri, Kosuke; Takahashi, Hidetoshi; Kouchi, Mitsuhiro; Gridnev, Ilya D.","P-Chiral Tetraphosphine Dirhodium Complex as a Catalyst for Asymmetric Hydrogenation: Synthesis, Structure, Enantioselectivity, and Mechanism. Stereoselective Formation of a Dirhodium Tetrahydride Complex and Its Reaction with Methyl (Z)-α-Acetamidocinnamate","Organometallics","2006","25","4","908","","10.1021/om050759p","","","0.7107","MoKα","","","0.0716","","","","0.0961","","","","","","1.566","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074674","8.084","0.0005","13.8728","0.0009","20.2548","0.0013","90","","90","","90","","2271.5","0.3","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 Cl N6 O4 Pd -","- C16 H31 Cl N6 O4 Pd -","- C64 H124 Cl4 N24 O16 Pd4 -","4","1","","Moncada, Adriana I.; Manne, Sudhakar; Tanski, Joseph M.; Slaughter, LeGrande M.","Modular Chelated Palladium Diaminocarbene Complexes: Synthesis, Characterization, and Optimization of Catalytic Suzuki−Miyaura Cross-Coupling Activity by Ligand Modification","Organometallics","2006","25","2","491","","10.1021/om050786f","","","0.71073","MoKα","","0.0151","0.0149","","","0.0394","0.0395","","","","","","1.082","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074744","8.5581","0.0005","10.3974","0.0008","20.5774","0.0015","90","","90","","90","","1831","0.2","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H27 B10 N O2 -","- C11 H27 B10 N O2 -","- C44 H108 B40 N4 O8 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Homo and Cross Metathesis Reactions of Alkenylpolyboranes: New Routes to Functionalo-Carborane and Decaborane Derivatives","Organometallics","2006","25","3","609","","10.1021/om050851l","","","0.71069","MoKα","","0.05","0.0464","","","0.1476","0.1602","","","","","","1.167","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074748","11.8489","0.0012","15.9777","0.0016","16.0975","0.0016","90","","90","","90","","3047.5","0.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H58 N P2 Ru Si2 -","- C24 H58 N P2 Ru Si2 -","- C96 H232 N4 P8 Ru4 Si8 -","4","1","","Ingleson, Michael J.; Pink, Maren; Huffman, John C.; Fan, Hongjun; Caulton, Kenneth G.","[(tBu2PCH2SiMe2)2N]RuMe2: Synthesis and Reactivity of an Unsaturated Ruthenium Dialkyl Radical Species","Organometallics","2006","25","5","1112","1119","10.1021/om0508536","","","0.71073","MoKα","","0.0273","0.0258","","","0.0689","0.07","","","","","","1.088","","","","has coordinates","209841","2020-10-21","18:00:00",""
"4074767","14.1204","0.0008","18.5671","0.0011","24.4197","0.0014","90","","90","","90","","6402.2","0.6","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H45 Br3 N19 O9 Re3 -","- C50 H45 Br3 N19 O9 Re3 -","- C200 H180 Br12 N76 O36 Re12 -","4","1","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes","Organometallics","2006","25","3","743","","10.1021/om0508684","","","0.71073","MoKα","","0.0249","0.0234","","","0.0551","0.0556","","","","","","1.062","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074791","9.3435","0.0004","13.4875","0.0007","39.71","0.002","90","","90","","90","","5004.3","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H68 B Cl2 F4 Ir O3 P2 -","- C51 H68 B Cl2 F4 Ir O3 P2 -","- C204 H272 B4 Cl8 F16 Ir4 O12 P8 -","4","1","","Vargas, Sergio; Rubio, Miguel; Suárez, Andrés; del Río, Diego; Álvarez, Eleuterio; Pizzano, Antonio","Iridium Complexes with Phosphine−Phosphite Ligands. Structural Aspects and Application in the Catalytic Asymmetric Hydrogenation of N-Aryl Imines","Organometallics","2006","25","4","961","","10.1021/om050885t","","","0.71073","MoKα","","0.0404","0.0363","","","0.0883","0.0904","","","","","","1.032","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074818","13.9108","0.0005","22.5453","0.0006","23.4052","0.0007","90","","90","","90","","7340.4","0.4","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C88 H79 B2 N8 Y -","- C87.98 H78.98 B2 N8.02 Y -","- C351.92 H315.92 B8 N32.08 Y4 -","4","1","","Arndt, Stefan; Elvidge, Benjamin R.; Zeimentz, Peter M.; Spaniol, Thomas P.; Okuda, Jun","Formation of a Dicationic Yttrium η2-Pyridyl Complex from an Yttrium Methyl Dication by C−H Activation of Pyridine","Organometallics","2006","25","3","793","","10.1021/om0509140","","","0.71073","MoKα","","0.0858","0.0537","","","0.1204","0.1339","","","","","","1.062","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074869","11.6288","0.0006","15.7867","0.0008","21.058","0.0011","90","","90","","90","","3865.8","0.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 B F4 N O P2 Pt -","- C44 H44 B F4 N O P2 Pt -","- C176 H176 B4 F16 N4 O4 P8 Pt4 -","4","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0517","0.0412","","","0.061","0.0632","","","","","","0.982","","","","has coordinates,has disorder","209819","2020-10-21","18:00:00",""
"4074871","11.6519","0.0006","15.9927","0.0007","21.0891","0.001","90","","90","","90","","3929.9","0.3","223","2","223","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 B F4 N O2 P2 Pt -","- C44 H44 B F4 N O2 P2 Pt -","- C176 H176 B4 F16 N4 O8 P8 Pt4 -","4","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0729","0.0518","","","0.0891","0.0934","","","","","","1.033","","","","has coordinates","209819","2020-10-21","18:00:00",""
"4074873","11.6888","0.0007","15.9987","0.001","21.0154","0.0013","90","","90","","90","","3930","0.4","223","2","223","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 B F4 N O3 P2 Pt -","- C44 H44 B F4 N O3 P2 Pt -","- C176 H176 B4 F16 N4 O12 P8 Pt4 -","4","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0386","0.0345","","","0.0774","0.0791","","","","","","1.014","","","","has coordinates,has disorder","209819","2020-10-21","18:00:00",""
"4074882","17.706","0.002","27.18","0.002","13.821","0.002","90","","90","","90","","6651.3","1.3","133","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 P2 S Si -","- C34 H48 P2 S Si -","- C272 H384 P16 S8 Si8 -","8","2","","Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki","Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features","Organometallics","2006","25","6","1424","1430","10.1021/om050972l","","","0.7107","MoKα","","","0.0604","","","","0.1489","","","","","","1.193","","","","has coordinates","209852","2020-10-21","18:00:00",""
"4074884","8.8061","0.0005","14.668","0.0008","27.1709","0.0017","90","","90","","90","","3509.6","0.4","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Cl F6 N O P Ru Sb -","- C34 H38 Cl F6 N O P Ru Sb -","- C136 H152 Cl4 F24 N4 O4 P4 Ru4 Sb4 -","4","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.0356","0.0321","","","0.0793","0.0813","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074886","8.8403","0.0009","14.6825","0.0016","27.236","0.002","90","","90","","90","","3535.2","0.6","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Cl F6 N O Os P Sb -","- C34 H38 Cl F5.994 N O Os P Sb0.999 -","- C136 H152 Cl4 F23.976 N4 O4 Os4 P4 Sb3.996 -","4","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.0511","0.0394","","","0.0821","0.0877","","","","","","1.033","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074889","11.3401","0.0008","18.2209","0.0012","20.7142","0.0013","90","","90","","90","","4280.1","0.5","200","0.2","200","0.2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","(eta-6-p-cymene){(3aS,8aR)-2-(2-diphenylphosphinophenyl)-3a,8a- dihydroindane[1,2-d]oxazole}(methacrolein)ruthenium(ii) bis(hexafluoroantimoniate)","","- C42 H42 F12 N O2 P Ru Sb2 -","- C42 H42 F12 N O2 P Ru Sb2 -","- C168 H168 F48 N4 O8 P4 Ru4 Sb8 -","4","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.0636","0.0431","","0.095","0.0817","","","","1.058","1.031","1.031","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074905","8.1069","0.0006","10.563","0.0008","14.6777","0.0011","90","","90","","90","","1256.9","0.16","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H24 B P -","- C10 H24 B P -","- C40 H96 B4 P4 -","4","1","","Blank, Natalia F.; McBroom, Katherine C.; Glueck, David S.; Kassel, W. Scott; Rheingold, Arnold L.","Chirality Breeding via Asymmetric Phosphination. Palladium-Catalyzed Diastereoselective Synthesis of a P-Stereogenic Phosphine","Organometallics","2006","25","7","1742","","10.1021/om050993f","","","0.71073","MoKα","","0.047","0.044","","","0.1064","0.1085","","","","","","1.105","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074952","8.5587","0.0009","14.4403","0.0015","16.9278","0.0018","90","","90","","90","","2092.1","0.4","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Cl F6 N O P Ru -","- C16 H27 Cl F6 N O P Ru -","- C64 H108 Cl4 F24 N4 O4 P4 Ru4 -","4","1","","Hermatschweiler, René; Fernández, Ignacio; Pregosin, Paul S.; Breher, Frank","Catalytic Allylic Alkylation and Allylic Phenolation Reactions with Ruthenium Complexes. Solid-State Structures of a Model Catalytic DMF Intermediate, [Ru(Cp*)(Cl)(η3-C3H5)(DMF)](PF6), and a New Tetranuclear Salt, [Ru(Cp){Ru(Cp)(η6-p-CH3C6H4CN)}3](PF6)4","Organometallics","2006","25","6","1440","1447","10.1021/om051050l","","","0.71073","MoKα","","0.0888","0.074","","","0.1362","0.1415","","","","","","1.192","","","","has coordinates","209830","2020-10-21","18:00:00",""
"4074966","13.482","0.005","23.751","0.008","26.066","0.011","90","","90","","90","","8347","5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H70 Cl4 F8 Fe2 N6 -","- C94 H70 Cl4 F8 Fe2 N6 -","- C376 H280 Cl16 F32 Fe8 N24 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.231","0.0987","","","0.2204","0.3017","","","","","","0.941","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074977","8.518","0.0002","15.784","0.0004","19.458","0.0004","90","","90","","90","","2616.09","0.11","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 F6 Fe N2 O3 P2 -","- C21 H30 F6 Fe N2 O3 P2 -","- C84 H120 F24 Fe4 N8 O12 P8 -","4","1","","Kubo, Kazuyuki; Baba, Takayuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Trapping of Unsaturated Small Molecules through Cyclization with Iron−Iminophosphorane Complexes","Organometallics","2006","25","13","3238","","10.1021/om0510728","","","0.71069","MoKα","","0.0738","0.058","","","0.1238","0.1411","","","","","","1.08","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4075003","10.027","0.002","10.868","0.002","19.014","0.004","90","","90","","90","","2072","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Mo N2 O6 -","- C22 H18 Mo N2 O6 -","- C88 H72 Mo4 N8 O24 -","4","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","0.71073","MoKα","","0.0201","0.0189","","","0.0478","0.0485","","","","","","1.055","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075032","12.3383","0.0008","13.5161","0.0009","23.3083","0.0015","90","","90","","90","","3887","0.4","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 N2 Ni P2 Si2 -","- C42 H48 N2 Ni P2 Si2 -","- C168 H192 N8 Ni4 P8 Si8 -","4","1","","Stapleton, Russell L.; Chai, Jianfang; Taylor, Nicholas J.; Collins, Scott","Ethylene Polymerization Using Discrete Nickel(II) Iminophosphonamide Complexes","Organometallics","2006","25","10","2514","","10.1021/om051103z","","","0.71073","MoKα","","0.0353","0.0311","","","0.0539","0.0546","","","","","","1.301","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075067","9.743","0.0001","13.249","0.0001","23.155","0.0002","90","","90","","90","","2988.96","0.05","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Fe O9 P3 S W -","- C25 H31 Fe O9 P3 S W -","- C100 H124 Fe4 O36 P12 S4 W4 -","4","1","","Imamura, Yuki; Kubo, Kazuyuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Reactions of Ring-Slipped Iron Complexes Derived from P(S)Ph-Bridged [1]Ferrocenophane: Synthesis of Bis(half-sandwich) Heterodinuclear Complexes","Organometallics","2006","25","9","2301","","10.1021/om060020v","","","0.71069","MoKα","","0.0397","0.0395","","","0.1046","0.1048","","","","","","1.032","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075074","12.643","0.0009","16.8636","0.0013","17.9064","0.0013","90","","90","","90","","3817.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H51 B Ru -","- C50 H51 B Ru -","- C200 H204 B4 Ru4 -","4","1","","Xue, Peng; Zhu, Jun; Liu, Sheng Hua; Huang, Xin; Ng, Weng Sang; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Reactions of [Cp*Ru(H2O)(NBD)]+with Dihydrogen, Silanes, Olefins, Alkynes, and Allenes","Organometallics","2006","25","9","2344","","10.1021/om0600285","","","0.71073","MoKα","","0.045","0.0355","","","0.0732","0.0766","","","","","","1.002","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075125","11.0106","0.0005","18.6305","0.0008","19.4426","0.0008","90","","90","","90","","3988.3","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","995 [Fe(PNP-iPr)(CH3CN)3](BF4)2.solv","","","- C23 H42 B2 F8 Fe N6 P2 -","- C23 H42 B1.995 F8 Fe N6 P2 -","- C92 H168 B7.98 F32 Fe4 N24 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0512","0.049","","","0.1334","0.1366","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075127","8.8343","0.0004","11.0454","0.0005","35.9063","0.0018","90","","90","","90","","3503.7","0.3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","1055 [Fe(PNP-TarMe)(CH3CN)3](BF4)2","","","- C23 H30 B2 F8 Fe N6 O12 P2 -","- C23 H30 B2 F8 Fe N6 O12 P2 -","- C92 H120 B8 F32 Fe4 N24 O48 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0329","0.0321","","","0.0828","0.0834","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075131","10.9571","0.0005","14.155","0.0006","31.6243","0.0015","90","","90","","90","","4904.9","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","872 [Fe(PNP-Ph)(terpy)](BF4)2.solv","","","- C44 H36 B2 F8 Fe N6 P2 -","- C44 H36 B2 F8 Fe N6 P2 -","- C176 H144 B8 F32 Fe4 N24 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0476","0.044","","","0.1109","0.1128","","","","","","1.088","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075134","12.5635","0.0006","14.9548","0.0007","18.4417","0.0009","90","","90","","90","","3464.9","0.3","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","859 [Ni(PNP-Ph)(Br)].Br.solv","","","- C29 H25 Br2 N3 Ni P2 -","- C29 H25 Br2 N3 Ni P2 -","- C116 H100 Br8 N12 Ni4 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0504","0.0409","","","0.1014","0.106","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075159","19.6366","0.0002","24.3191","0.0003","34.6941","0.0005","90","","90","","90","","16568","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C124 H254 Fe P6 Si24 -","- C124 H254 Fe P6 Si24 -","- C496 H1016 Fe4 P24 Si96 -","4","1","","Moser, Carmen; Nieger, Martin; Pietschnig, Rudolf","Synthesis of 1,1‘-Ferrocenylene-Bridged Bisdiphosphenes","Organometallics","2006","25","10","2667","","10.1021/om060073c","","","0.71073","MoKα","","0.139","0.0558","","","0.0902","0.1049","","","","","","0.849","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075183","10.6567","0.0001","11.3869","0.0001","15.1128","0.0001","90","","90","","90","","1833.89","0.03","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 Cl N2 Rh -","- C19 H30 Cl N2 Rh -","- C76 H120 Cl4 N8 Rh4 -","4","1","","Herrmann, Wolfgang A.; Baskakov, Denys; Herdtweck, Eberhardt; Hoffmann, Stephan D.; Bunlaksananusorn, Tanasri; Rampf, Florian; Rodefeld, Lars","Chiral N-Heterocyclic Carbene Ligands Derived from 2,2‘-Bipiperidine and Partially Reduced Biisoquinoline: Rhodium and Iridium Complexes in Asymmetric Catalysis†","Organometallics","2006","25","10","2449","","10.1021/om060098b","","","0.71073","MoKα","","0.0161","0.0157","","","0.0381","0.0383","","","","","","1.082","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075185","7.8469","0.0001","14.3361","0.0001","19.9183","0.0001","90","","90","","90","","2240.69","0.03","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl Ir N2 -","- C27 H30 Cl Ir N2 -","- C108 H120 Cl4 Ir4 N8 -","4","1","","Herrmann, Wolfgang A.; Baskakov, Denys; Herdtweck, Eberhardt; Hoffmann, Stephan D.; Bunlaksananusorn, Tanasri; Rampf, Florian; Rodefeld, Lars","Chiral N-Heterocyclic Carbene Ligands Derived from 2,2‘-Bipiperidine and Partially Reduced Biisoquinoline: Rhodium and Iridium Complexes in Asymmetric Catalysis†","Organometallics","2006","25","10","2449","","10.1021/om060098b","","","0.71073","MoKα","","0.0326","0.0319","","","0.0646","0.0652","","","","","","1.204","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075202","10.27233","0.0001","17.92498","0.00009","29.46355","0.00019","90","","90","","90","","5425.16","0.07","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H27 Cl F24 O P2 Pd -","- C47 H27 Cl F24 O P2 Pd -","- C188 H108 Cl4 F96 O4 P8 Pd4 -","4","1","","Guiu, Ester; Caporali, Maria; Muñoz, Bianca; Müller, Christian; Lutz, Martin; Spek, Anthony L.; Claver, Carmen; van Leeuwen, Piet W. N. M.","Electronic Effect of Diphosphines on the Regioselectivity of the Palladium-Catalyzed Hydroesterification of Styrene","Organometallics","2006","25","13","3102","","10.1021/om060121t","","","0.71073","MoKα","","0.0297","0.0253","","","0.0616","0.0635","","","","","","1.067","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075233","13.009","0.003","15.913","0.003","20.961","0.004","90","","90","","90","","4339.2","1.5","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H64 Mg O2 Si8 -","- C24 H64 Mg O2 Si8 -","- C96 H256 Mg4 O8 Si32 -","4","1","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","mokα","","0.0785","0.0642","","","0.1592","0.171","","","","","","1.026","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075243","11.039","0.005","15.971","0.008","18.772","0.009","90","","90","","90","","3310","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H16 N2 O14 Ru6 -","- C27 H16 N2 O14 Ru6 -","- C108 H64 N8 O56 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0358","0.032","","","0.0775","0.0828","","","","","","1.004","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075290","8.8571","0.0002","20.297","0.0004","21.4132","0.0004","90","","90","","90","","3849.51","0.14","153","","","","","","","","","","Peters laboratory","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Fe I N2 P Pd -","- C44 H46 Fe I N2 P Pd -","- C176 H184 Fe4 I4 N8 P4 Pd4 -","4","1","","Peters, René; Xin, Zhuo-qun; Fischer, Daniel F.; Schweizer, W. Bernd","Synthesis and Diastereoselectiveortho-Lithiation/Cyclopalladation of Enantiopure [2-Imidazolyl]-1‘,2‘,3‘,4‘,5‘-pentamethylferrocenes and -1‘,2‘,3‘,4‘,5‘-pentaphenylferrocenes","Organometallics","2006","25","12","2917","","10.1021/om060187o","","","0.71073","MoKα","","0.0605","0.056","","","0.1543","0.1612","","","","","","1.285","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075298","10.977","0.002","19.155","0.004","20.287","0.004","90","","90","","90","","4265.6","1.5","263","2","263","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 F3 N3 O9 Re S -","- C43 H35 F3 N3 O9 Re S -","- C172 H140 F12 N12 O36 Re4 S4 -","4","1","","Lo, Kenneth Kam-Wing; Tsang, Keith Hing-Kit; Zhu, Nianyong","Luminescent Tricarbonylrhenium(I) Polypyridine Estradiol Conjugates: Synthesis, Crystal Structure, and Photophysical, Electrochemical, and Protein-Binding Properties","Organometallics","2006","25","13","3220","","10.1021/om060193k","","","0.71073","MoKα","","0.0408","0.0283","","","0.0611","0.0648","","","","","","0.947","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075359","10.5914","0.0005","13.1936","0.0006","22.4714","0.001","90","","90","","90","","3140.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 B10 N Ru -","- C29 H35 B10 N Ru -","- C116 H140 B40 N4 Ru4 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NH2Prn)2with Alkynes. Synthesis and Structural Characterization of Ruthenium Aminocarbene and Enamine Complexes","Organometallics","2006","25","14","3447","","10.1021/om060249a","","","0.71073","MoKα","","0.0651","0.0494","","","0.1193","0.1333","","","","","","1.062","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075373","12.6003","0.001","15.4046","0.0012","16.4304","0.0013","90","","90","","90","","3189.2","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 B Cl2 F15 Ta -","- C32 H21 B Cl2 F15 Ta -","- C128 H84 B4 Cl8 F60 Ta4 -","4","1","","Mariott, Wesley R.; Gustafson, Laura O.; Chen, Eugene Y.-X.","Activation of Tantalocene(V) Alkyl and Alkylidene Complexes with Strong Organo Lewis Acids and Application to Polymerization Catalysis","Organometallics","2006","25","15","3721","","10.1021/om060258j","","","0.71073","MoKα","","0.028","0.0236","","","0.0495","0.0509","","","","","","1.022","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075444","10.992","0.005","14.39","0.002","24.683","0.002","90","","90","","90","","3904.2","1.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 I N Nb P Si2 -","- C38 H48 I N Nb P Si2 -","- C152 H192 I4 N4 Nb4 P4 Si8 -","4","1","","Antiñolo, Antonio; Evrard, David; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena","Synthesis, Characterization, and Reactivity of Isocyanidephosphidoniobocene Derivatives: X-ray Diffraction Structures of New Isocyanideniobocene Complexes, [Nb(η5-C5H4SiMe3)2(CNR)(PMePh2)]I, R = Xylyl, Cy","Organometallics","2006","25","15","3670","","10.1021/om060283p","","","0.7107","MoKα","","0.1244","0.0592","","","0.128","0.1956","","","","","","0.967","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075451","12.9104","0.0006","14.3253","0.0006","18.6546","0.0008","90","","90","","90","","3450.1","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[PdCl(PCP-Ph)].2DMF","","","- C36 H39 Cl N4 O2 P2 Pd -","- C36 H39 Cl N4 O2 P2 Pd -","- C144 H156 Cl4 N16 O8 P8 Pd4 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.0246","0.0234","","","0.0615","0.0628","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075455","13.6286","0.0012","15.5379","0.0014","18.6978","0.0017","90","","90","","90","","3959.4","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Pd(PCP-bipol)(CF3COO)].2(Et2O)","","","- C40 H41 F3 N2 O8 P2 Pd -","- C40 H41 F3 N2 O8 P2 Pd -","- C160 H164 F12 N8 O32 P8 Pd4 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.0467","0.0397","","","0.0947","0.1026","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075461","11.2995","0.0014","16.673","0.002","18.066","0.002","90","","90","","90","","3403.6","0.7","123.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H43 N2 O P S -","- C37 H43 N2 O P S -","- C148 H172 N8 O4 P4 S4 -","4","1","","Matano, Yoshihiro; Nakabuchi, Takashi; Miyajima, Tooru; Imahori, Hiroshi","Phosphole-Containing Hybrid Calixpyrroles: New Multifunctional Macrocyclic Ligands for Platinum(II) Ions","Organometallics","2006","25","13","3105","","10.1021/om060300a","","","0.7107","MoKα","","","0.0404","","","","0.1042","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075469","10.912","0.009","18.992","0.016","19.841","0.017","90","","90","","90","","4112","6","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H60 F3 N2 O3 S Ti -","- C40 H60 F3 N2 O3 S Ti -","- C160 H240 F12 N8 O12 S4 Ti4 -","4","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Oxidatively Induced α-Hydrogen Abstraction. A Mild Protocol to Generate Terminal Titanium Alkylidenes Containing a β-Hydrogen","Organometallics","2006","25","16","3963","","10.1021/om060308k","","","0.71073","MoKα","","0.2319","0.057","","","0.0932","0.1416","","","","","","0.641","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075505","16.7406","0.0006","17.863","0.0005","19.7267","0.0007","90","","90","","90","","5899","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H68 B11 Fe N6 P3 Sn -","- C53 H68 B11 Fe N6 P3 Sn -","- C212 H272 B44 Fe4 N24 P12 Sn4 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)","Organometallics","2006","25","16","3904","","10.1021/om060328m","","","0.71073","MoKα","","0.0812","0.0644","","","0.1166","0.1225","","","","","","1.142","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075518","12.96","0.001","14.822","0.0011","20.9965","0.0016","90","","90","","90","","4033.3","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H71 O2 P4 Rh -","- C37 H71 O2 P4 Rh -","- C148 H284 O8 P16 Rh4 -","4","1","","Axtell, Alex T.; Klosin, Jerzy; Abboud, Khalil A.","Evaluation of Asymmetric Hydrogenation Ligands in Asymmetric Hydroformylation Reactions. Highly Enantioselective Ligands Based on Bis-phosphacycles","Organometallics","2006","25","21","5003","","10.1021/om060340e","","","0.71073","MoKα","","0.0839","0.0567","","","0.1241","0.1357","","","","","","1","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075599","8.5","0.003","13.382","0.006","16.361","0.009","90","","90","","90","","1861","1.5","200","2","200","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","Cp*RhCl2(PTA)","Bischloro-Pentamethylcyclodienyl-1,3,5-Triaza-7-phosphaadamantane- Rhodium(III)","","- C16 H27 Cl2 N3 P Rh -","- C16 H27 Cl2 N3 P Rh -","- C64 H108 Cl8 N12 P4 Rh4 -","4","1","","Dorcier, Antoine; Ang, Wee Han; Bolaño, Sandra; Gonsalvi, Luca; Juillerat-Jeannerat, Lucienne; Laurenczy, Gàbor; Peruzzini, Maurizio; Phillips, Andrew D.; Zanobini, Fabrizio; Dyson, Paul J.","In Vitro Evaluation of Rhodium and Osmium RAPTA Analogues: The Case for Organometallic Anticancer Drugs Not Based on Ruthenium","Organometallics","2006","25","17","4090","","10.1021/om060394o","","x-ray","0.71073","MoKα","","0.0223","0.019","","","0.0472","0.048","","","","","","1.047","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075603","11.6836","0.0005","15.6616","0.0007","21.8655","0.001","90","","90","","90","","4001","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H59 Cl O4 Os P2 Sn -","- C38 H59 Cl O4 Os P2 Sn -","- C152 H236 Cl4 O16 Os4 P8 Sn4 -","4","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat","Preparation, X-ray Structures, and NMR Spectra of Elongated Dihydrogen Complexes with Four- and Five-Coordinate Tin Centers","Organometallics","2006","25","19","4691","","10.1021/om060395g","","","0.71073","MoKα","","0.0399","0.0342","","","0.0512","0.0526","","","","","","0.909","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075616","12.047","0.003","15.9","0.003","21.476","0.005","90","","90","","90","","4113.7","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2-phenyl-6-(2-amino-(3',3'-dimethyl)-propyl)pyridine,C,N,N')- [1,4-bis(diphenylphosphino)-buthane,P,P']chloro-ruthenium(II)","","- C44 H47 Cl N2 P2 Ru -","- C44 H47 Cl N2 P2 Ru -","- C176 H188 Cl4 N8 P8 Ru4 -","4","1","","Baratta, Walter; Bosco, Marco; Chelucci, Giorgio; Del Zotto, Alessandro; Siega, Katia; Toniutti, Micaela; Zangrando, Ennio; Rigo, Pierluigi","Terdentate RuX(CNN)(PP) (X = Cl, H, OR) Complexes: Synthesis, Properties, and Catalytic Activity in Fast Transfer Hydrogenation","Organometallics","2006","25","19","4611","","10.1021/om060408q","","","0.71073","Mokα","","0.0416","0.034","","","0.0832","0.0858","","","","","","0.975","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075651","11.088","0.001","17.28","0.001","19.366","0.001","90","","90","","90","","3710.5","0.4","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H32 Cl4 O4 P2 Pd S -","- C37 H32 Cl4 O4 P2 Pd S -","- C148 H128 Cl16 O16 P8 Pd4 S4 -","4","1","","Piechaczyk, Olivier; Doux, Marjolaine; Ricard, Louis; le Floch, Pascal","Synthesis of 1-Phosphabarrelene Phosphine Sulfide Substituted Palladium(II) Complexes: Application in the Catalyzed Suzuki Cross-Coupling Process and in the Allylation of Secondary Amines","Organometallics","2005","24","6","1204","","10.1021/om0490278","","","0.71069","MoKα","","0.0522","0.0347","","","0.0723","0.0903","","","","","","1.008","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075657","10.2757","0.0007","20.0438","0.0014","22.3224","0.0015","90","0.002","90","0.002","90","0.002","4597.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[PdCl(C3H5)(3,5-di-t-butylphenyl-MOP)]","","","- C51 H54 Cl P Pd -","- C51 H54 Cl P Pd -","- C204 H216 Cl4 P4 Pd4 -","4","1","","Kumar, P. G. Anil; Dotta, Pascal; Hermatschweiler, René; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia","Bonding in Palladium(II) and Platinum(II) Allyl MeO- and H-MOP Complexes. Subtle Differences via13C NMR","Organometallics","2005","24","6","1306","","10.1021/om049039t","","","0.71069","MoKα","","0.067","0.0405","","","0.09","0.1012","","","","","","1.029","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075662","12.335","0.001","13.648","0.001","17.643","0.001","90","","90","","90","","2970.2","0.4","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Cl2 N P2 Pd -","- C33 H31 Cl2 N P2 Pd -","- C132 H124 Cl8 N4 P8 Pd4 -","4","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0446","0.0337","","","0.0772","0.0819","","","","","","1.008","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075665","12.322","0.001","13.667","0.001","17.679","0.001","90","","90","","90","","2977.2","0.4","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Br0.16 Cl1.84 N P2 Pd -","- C33 H31 Br0.163 Cl1.837 N P2 Pd -","- C132 H124 Br0.652 Cl7.348 N4 P8 Pd4 -","4","1","","Boubekeur, Leïla; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis of New Mixed Phosphineσim Iminophosphorane Bidentate Ligands and Their Coordination to Group 10 Metal Centers","Organometallics","2005","24","6","1065","","10.1021/om0490684","","","0.71069","MoKα","","0.0604","0.0398","","","0.0854","0.093","","","","","","1.005","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075683","9.5729","0.0003","13.1585","0.0005","17.0702","0.0006","90","","90","","90","","2150.25","0.13","293","2","293","2","","","","","","","Synthesis. Crystallization from a CH~2~Cl~2~ / hexanes solution at room temperature by slow liquid-liquid difussion.","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O8 Ru3 -","- C16 H14 N2 O8 Ru3 -","- C64 H56 N8 O32 Ru12 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Granda, Santiago; Martínez-Méndez, Lorena; Pérez-Carreño, Enrique","η2-Edge-Bridging and η3-Face-Capping Coordination of Conjugated Ynenyl Ligands in Triruthenium Carbonyl Cluster Complexes Derived from 1,1-Dimethylhydrazine","Organometallics","2005","24","5","831","","10.1021/om049119x","","","1.5418","CuKα","","0.0528","0.0453","","","0.1048","0.1081","","","","","","0.935","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075725","9.916","0.001","15.327","0.001","16.582","0.002","90","","90","","90","","2520.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H42 Hf N4 P2 -","- C18 H42 Hf N4 P2 -","- C72 H168 Hf4 N16 P8 -","4","1","","Axenov, Kirill V.; Klinga, Martti; Leskelä, Markku; Repo, Timo","Bis(amido)cyclodiphosph(III)azane Hafnium Complexes and Their Activation by Tris(perfluorophenyl)borane","Organometallics","2005","24","6","1336","","10.1021/om0492303","","","0.71073","MoKα","","0.0447","0.0304","","","0.048","0.0511","","","","","","1.022","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075756","16.142","0.005","16.712","0.005","9.861","0.003","90","","90","","90","","2660.2","1.4","233","2","233","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Cu2 F6 O8 -","- C24 H20 Cu2 F6 O8 -","- C96 H80 Cu8 F24 O32 -","4","1","","Pampaloni, Guido; Peloso, Riccardo; Graiff, Claudia; Tiripicchio, Antonio","Olefin Trifluoroacetato Derivatives of Copper(I) and Their Olefin/CO Exchange Reactions","Organometallics","2005","24","5","819","","10.1021/om049314b","","","1.5418","CuKα","","0.047","0.0356","","","0.0876","0.0949","","","","","","0.989","","","","has coordinates,has disorder","178646","2020-10-21","18:00:00",""
"4075763","17.3354","0.0003","17.6029","0.0004","19.3402","0.0003","90","","90","","90","","5901.73","0.19","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C74 H60 Cl2 Co2 N2 O2 Pd -","- C74 H60 Cl2 Co2 N2 O2 Pd -","- C296 H240 Cl8 Co8 N8 O8 Pd4 -","4","1","","Prasad, R. Shyam; Anderson, Carolyn E.; Richards, Christopher J.; Overman, Larry E.","Synthesis oftert-Leucine-Derived Cobalt Oxazoline Palladacycles. Reversal of Palladation Diastereoselectivity and Application to the Asymmetric Rearrangement ofN-Aryl Trifluoroacetimidates","Organometallics","2005","24","1","77","","10.1021/om0493614","","","0.71073","MoKα","","0.0753","0.0526","","","0.0987","0.1084","","","","","","1.023","","","","has coordinates","178646","2020-10-21","18:00:00",""
"4075800","15.0314","0.0003","17.5337","0.0002","22.1486","0.0004","90","","90","","90","","5837.4","0.17","100","","100","","","","","","","","dichloromethane/pentane","8","P 21 21 21","P 2ac 2ab","19","","(μ~2~-bromo)bis((η^3^-allyl)(triisopropylphosphine)nickel) tetra(nonafluoro-tetrabutoxy)aluminate","","- C40 H52 Al Br F36 Ni2 O4 P2 -","- C40 H52 Al Br F36 Ni2 O4 P2 -","- C160 H208 Al4 Br4 F144 Ni8 O16 P8 -","4","1","","Alberti, Davide; Goddard, Richard; Pörschke, Klaus-Richard","Dinuclear [{(π-C3H5)M(PR3)}2(μ-X)]Y Complexes of Nickel and Palladium†","Organometallics","2005","24","16","3907","","10.1021/om050020f","","","0.71073","MoKα","","0.0614","0.0427","","","0.0752","0.0814","","","","","","1.045","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075823","6.4722","0.0015","10.3","0.002","17.749","0.004","90","","90","","90","","1183.2","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 B8 Fe -","- C8 H16 B8 Fe -","- C32 H64 B32 Fe4 -","4","1","","Perekalin, Dmitry S.; Holub, Josef; Golovanov, Denis G.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Štíbr, Bohumil; Kudinov, Alexander R.","Ferra- and Ruthenatricarbollides CpFeC3B8H11and Cp*RuC3B8H11","Organometallics","2005","24","18","4387","","10.1021/om050139o","","","0.71073","MoKα","","0.0482","0.0415","","","0.0895","0.0922","","","","","","1.069","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075843","8.3272","0.0003","9.3265","0.0003","16.8608","0.0006","90","","90","","90","","1309.47","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl Ni P -","- C11 H20 Cl Ni P -","- C44 H80 Cl4 Ni4 P4 -","4","1","","Kelly, Roy A.; Scott, Natalie M.; Díez-González, Silvia; Stevens, Edwin D.; Nolan, Steven P.","Simple Synthesis of CpNi(NHC)Cl Complexes (Cp = Cyclopentadienyl; NHC = N-Heterocyclic Carbene)","Organometallics","2005","24","14","3442","","10.1021/om0501879","","","0.71073","MoKα","","0.0184","0.0184","","","0.0476","0.0476","","","","","","1.657","","","","has coordinates","178647","2020-10-21","18:00:00",""
"4075847","12.1042","0.0005","17.2671","0.0007","21.1808","0.0008","90","","90","","90","","4426.9","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{N,N'-(1,1-cyclohexylidenedimethylidyne)bis(2,6-bis(1-methylethyl)- benzenamine)}-dichloro-palladium(II) tris-chloroform solvate","","- C35 H49 Cl11 N2 Pd -","- C35 H49 Cl11 N2 Pd -","- C140 H196 Cl44 N8 Pd4 -","4","1","","Domin, Doris; Benito-Garagorri, David; Mereiter, Kurt; Fröhlich, Johannes; Kirchner, Karl","Synthesis and Reactivity of Palladium and Nickel β-Diimine Complexes: Application as Catalysts for Heck, Suzuki, and Hiyama Coupling Reactions†","Organometallics","2005","24","16","3957","","10.1021/om050201h","","","0.71073","MoKα","","0.048","0.0391","","","0.097","0.1031","","","","","","1.03","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075875","10.1403","0.0018","11.598","0.002","21.762","0.004","90","","90","","90","","2559.4","0.8","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 P2 Zr -","- C26 H24 Cl2 P2 Zr -","- C104 H96 Cl8 P8 Zr4 -","4","1","","Kazul'kin, Denis N.; Ryabov, Alexey N.; Izmer, Vyatcheslav V.; Churakov, Andrei V.; Beletskaya, Irina P.; Burns, Carol J.; Voskoboynikov, Alexander Z.","Zirconium Complexes Involving 2-Phosphorus-Substituted Indenyl Fragments","Organometallics","2005","24","12","3024","","10.1021/om050236h","","","0.71073","MoKα","","0.0937","0.0702","","","0.1692","0.1855","","","","","","1.012","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075880","8.34","0.002","15.235","0.004","23.409","0.006","90","","90","","90","","2974.3","1.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 B F15 N -","- C31 H23 B F15 N -","- C124 H92 B4 F60 N4 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis and Characterization of the New Alkyl Borates [RB(C6F5)3]-(R = CH2Me, CHMe2, CH2CMe3): Utilization of [Me3CCH2B(C6F5)3]-as a Weakly Coordinating Counteranion during Zirconocene-Induced Catalysis of Propylene Polymerization","Organometallics","2005","24","12","2889","","10.1021/om050242d","","","0.71073","MoKα","","0.1021","0.0431","","","0.0728","0.0836","","","","","","0.81","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075883","10.4614","0.0006","18.571","0.001","19.715","0.001","90","","90","","90","","3830.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H54 Mo N6 Si2 -","- C33 H54 Mo N6 Si2 -","- C132 H216 Mo4 N24 Si8 -","4","1","","Ison, Elon A.; Ortiz, Carlos O.; Abboud, Khalil; Boncella, James M.","Synthesis and Reactivity of Molybdenum(IV) Complexes with Alkyl and Aryl Isocyanides","Organometallics","2005","24","26","6310","","10.1021/om0502436","","","0.71073","MoKα","","0.1086","0.0483","","","0.0854","0.0992","","","","","","0.91","","","","has coordinates,has disorder","178647","2020-10-21","18:00:00",""
"4075885","7.1237","0.0004","11.3329","0.0006","17.3278","0.0009","90","","90","","90","","1398.91","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N4 O2 -","- C15 H14 N4 O2 -","- C60 H56 N16 O8 -","4","1","","Fantauzzi, Simone; Gallo, Emma; Caselli, Alessandro; Ragaini, Fabio; Macchi, Piero; Casati, Nicola; Cenini, Sergio","Origin of the Deactivation in Styrene Aziridination by Aryl Azides, Catalyzed by Ruthenium Porphyrin Complexes. Structural Characterization of a Δ2-1,2,3-Triazoline RuII(TPP)CO Complex","Organometallics","2005","24","20","4710","","10.1021/om050244y","","","0.71073","MoKα","","0.0498","0.0405","","","0.1058","0.1115","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075912","8.3124","0.001","10.519","0.0007","26.0587","0.0018","90","","90","","90","","2278.5","0.4","200","2","200","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 N Ta -","- C25 H38 N Ta -","- C100 H152 N4 Ta4 -","4","1","","Galakhov, Mikhail V.; Gómez, Manuel; Gómez-Sal, Pilar; Velasco, Patricia","Alkylation, Insertion of Isocyanides, and Intramolecular Rearrangement Processes in Azatantalacyclopentene Complexes. X-ray Crystal Structure of [TaCp*Me2(CHCHCMe2NAr-κ2C,N)] (Cp* = η5-C5Me5; Ar = 2,6-Me2C6H3)§","Organometallics","2005","24","14","3552","","10.1021/om050289z","","x-ray","0.71073","MoKα","","0.0454","0.0351","","","0.0644","0.067","","","","","","1.036","","","","has coordinates","178648","2020-10-21","18:00:00",""
"4075962","5.8459","0.0001","8.413","0.0002","18.2492","0.0005","90","","90","","90","","897.52","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(C6H5)HgCCCF3","","- C9 H5 F3 Hg -","- C9 H5 F3 Hg -","- C36 H20 F12 Hg4 -","4","1","","Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.","Asymmetric Fluoro-alkynyl Mercurials: The Synthesis and Solid State Structures of RHgC⋮CCF3(R = Ph, Fc)","Organometallics","2005","24","22","5487","","10.1021/om050366q","","x-ray","0.71073","MoKα","","0.0492","0.0443","","","0.1059","0.1096","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076003","12.0893","0.001","16.7108","0.0014","19.447","0.0016","90","","90","","90","","3928.7","0.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37.5 H38 Cr F6 O3.5 P3 -","- C37.5 H38 Cr F6 O3.5 P3 -","- C150 H152 Cr4 F24 O14 P12 -","4","1","","Norman, David W.; McDonald, Robert; Stryker, Jeffrey M.","Thermally Stable Chromium(III)η3-Allyl Complexes. Direct Structural Comparison of Neutral Chromium(II) and Cationic Chromium(III)η3-Allyl Redox Isomers","Organometallics","2005","24","18","4461","","10.1021/om050415z","","","0.71073","MoKα","","0.0859","0.0676","","","0.1759","0.1911","","","","","","1.079","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076008","9.7639","0.0004","16.9418","0.0007","17.9854","0.0008","90","","90","","90","","2975.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 O6 Re2 Si -","- C30 H22 O6 Re2 Si -","- C120 H88 O24 Re8 Si4 -","4","1","","Adams, Richard D.; Smith, Jack L.","Rhenium Carbonyl Complexes Containing Bridging SiPh3and SiPh2Ligands","Organometallics","2005","24","18","4489","","10.1021/om0504304","","","0.71073","MoKα","","0.0186","0.0179","","","0.0445","0.0448","","","","","","1.054","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076019","9.8903","0.0008","15.1185","0.0013","22.7279","0.0018","90","","90","","90","","3398.4","0.5","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H51 B10 Cl N Na O4 Zr -","- C21 H51 B10 Cl N Na O4 Zr -","- C84 H204 B40 Cl4 N4 Na4 O16 Zr4 -","4","1","","Cheung, Mak-Shuen; Chan, Hoi-Shan; Bi, Siwei; Lin, Zhenyang; Xie, Zuowei","Functional Sidearm Promoted Electron-Transfer Reactions: A New Route to Metallacarboranes Incorporating theη7-arachno-Carboranyl Ligands","Organometallics","2005","24","18","4333","","10.1021/om050454a","","","0.71073","MoKα","","0.1206","0.0602","","","0.1418","0.1828","","","","","","1.014","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076024","9.4836","0.0009","17.9286","0.0017","20.9933","0.0019","90","","90","","90","","3569.4","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H38 Ge S2 -","- C45 H38 Ge S2 -","- C180 H152 Ge4 S8 -","4","1","","Ech-Cherif El Kettani, Sakina; Lazraq, Mohamed; Ranaivonjatovo, Henri; Escudié, Jean; Couret, Claude; Gornitzka, Heinz; Atmani, Aziz","Reactivity of Germene Mes2GeCR2with Cumulative Unsaturation-Containing Compounds: Synthesis of New Germanium Heterocycles","Organometallics","2005","24","22","5364","","10.1021/om0504607","","","0.71073","MoKα","","0.065","0.044","","","0.0753","0.0812","","","","","","1.023","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076052","8.8429","0.0005","17.0603","0.0009","18.49","0.001","90","","90","","90","","2789.4","0.3","153","1","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 P2 Pt Si4 -","- C22 H40 P2 Pt Si4 -","- C88 H160 P8 Pt4 Si16 -","4","1","","Shimada, Shigeru; Rao, Maddali L. N.; Li, Yong-Hua; Tanaka, Masato","Reaction of 1-(Dimethylsilyl)-2-silylbenzene with Platinum(0) Phosphine Complexes","Organometallics","2005","24","24","6029","","10.1021/om050498j","","","0.7107","MoKα","","0.0245","0.0226","","","0.0487","0.0494","","","","","","0.976","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076067","12.6296","0.001","14.8567","0.0011","19.8143","0.0014","90","","90","","90","","3717.8","0.5","208","2","208","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Cl2 Fe N P2 Pd -","- C37 H35 Cl2 Fe N P2 Pd -","- C148 H140 Cl8 Fe4 N4 P8 Pd4 -","4","1","","Ghent, Brenna L.; Sites, Lauren A.; Rheingold, Arnold L.; Nataro, Chip","BoPhoz Ligands: Anodic Electrochemistry and Complexes†","Organometallics","2005","24","20","4788","","10.1021/om050516x","","","0.71073","MoKα","","0.0346","0.032","","","0.0814","0.0825","","","","","","1.045","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076068","8.3478","0.0008","19.0037","0.0019","22.389","0.002","90","","90","","90","","3551.8","0.6","208","2","208","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H47 Cl2 Fe N P2 Pd -","- C37 H47 Cl2 Fe N P2 Pd -","- C148 H188 Cl8 Fe4 N4 P8 Pd4 -","4","1","","Ghent, Brenna L.; Sites, Lauren A.; Rheingold, Arnold L.; Nataro, Chip","BoPhoz Ligands: Anodic Electrochemistry and Complexes†","Organometallics","2005","24","20","4788","","10.1021/om050516x","","","0.71073","MoKα","","0.0275","0.0257","","","0.0624","0.0631","","","","","","1.103","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076084","9.0674","0.0003","19.9274","0.0005","23.055","0.001","90","","90","","90","","4165.8","0.3","198.2","","198.2","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C43 H58 Li N2 O P Ru Si2 -","- C43 H58 Li N2 O P Ru Si2 -","- C172 H232 Li4 N8 O4 P4 Ru4 Si8 -","4","1","","Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.","Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes","Organometallics","2005","24","22","5440","","10.1021/om050574i","","","0.7107","MoKα","","0.0461","0.026","","0.0688","","0.0688","","","0.944","","","0.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4076095","7.82","0.001","11.577","0.001","16.91","0.001","90","","90","","90","","1530.9","0.3","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O Ti -","- C16 H21 N O Ti -","- C64 H84 N4 O4 Ti4 -","4","1","","Wang, Cun; Erker, Gerhard; Kehr, Gerald; Wedeking, Katrin; Fröhlich, Roland","Synthesis, Structural Features, and Formation of Organometallic Derivates of C1-Bridged Cp/Amido Titanium and Zirconium “CpCN-Constrained Geometry” Systems","Organometallics","2005","24","20","4760","","10.1021/om0505918","","","0.71073","MoKα","","0.0655","0.0424","","","0.0907","0.099","","","","","","0.972","","","","has coordinates","178649","2020-10-21","18:00:00",""
"4076115","9.718","0.0001","19.708","0.0003","22.873","0.0004","90","","90","","90","","4380.69","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H65 N4 O P Ru -","- C49 H65 N4 O P Ru -","- C196 H260 N16 O4 P4 Ru4 -","4","1","","Burling, Suzanne; Kociok-Köhn, Gabriele; Mahon, Mary F.; Whittlesey, Michael K.; Williams, Jonathan M. J.","Ruthenium Hydride Complexes of 1,2-Dicyclohexylimidazol-2-ylidene","Organometallics","2005","24","24","5868","","10.1021/om050600c","","","0.71073","MoKα","","0.0709","0.0444","","","0.077","0.0851","","","","","","1.028","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076134","11.835","0.0002","12.208","0.0002","29.206","0.0006","90","","90","","90","","4219.73","0.13","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","sa0410","","","- C15 H10 Br2 Fe2 Ga I O5 -","- C15 H10 Br2 Fe2 Ga I O5 -","- C120 H80 Br16 Fe16 Ga8 I8 O40 -","8","2","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Day, Joanna K.; Ooi, Li-ling; Coles, Simon J.; Hursthouse, Michael B.","Toward Cationic Gallane- and Indanediyl Complexes: Synthetic Approaches to Three-Coordinate Halogallyl and -indyl Precursors","Organometallics","2005","24","24","5879","","10.1021/om050630f","","","0.71073","MoKα","","0.1203","0.0636","","","0.1528","0.1781","","","","","","1.017","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076139","16.054","0.0003","16.294","0.0003","24.252","0.0006","90","","90","","90","","6343.9","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","sa0502","","","- C60 H50 B F24 Fe2 In O5 -","- C60 H50 B F24 Fe2 In O5 -","- C240 H200 B4 F96 Fe8 In4 O20 -","4","1","","Bunn, Natalie R.; Aldridge, Simon; Kays, Deborah L.; Coombs, Natalie D.; Rossin, Andrea; Willock, David J.; Day, Joanna K.; Jones, Cameron; Ooi, Li-ling","Halide Abstraction as a Route to Cationic Transition-Metal Complexes Containing Two-Coordinate Gallium and Indium Ligand Systems","Organometallics","2005","24","24","5891","","10.1021/om0506318","","","0.71073","MoKα","","0.1226","0.0821","","","0.1815","0.2068","","","","","","1.023","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076164","8.009","0.0002","22.4905","0.0006","31.5481","0.0009","90","","90","","90","","5682.6","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 Mg N4 O10 -","- C62 H78 Mg N4 O10 -","- C248 H312 Mg4 N16 O40 -","4","1","","Layfield, Richard A.; Humphrey, Simon M.","Synthesis and Structure of [trans-{1,2-Bis(κ2-O,O-N- phenylcarbamoyl)cyclopentadienylbis(thf)}magnesium]·4thf","Organometallics","2005","24","24","6063","","10.1021/om050680k","","","0.71073","MoKα","","0.175","0.0778","","","0.1191","0.1408","","","","","","0.941","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076193","9.601","0.013","10.549","0.014","25.4","0.07","90","","90","","90","","2573","9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N3 O6 Pd -","- C27 H25 N3 O6 Pd -","- C108 H100 N12 O24 Pd4 -","4","1","","Kazi, Abul B.; Jones, Gavin D.; Vicic, David A.","Observed Instability of Bound Pybox Ligands towards Acetate Counterions","Organometallics","2005","24","24","6051","","10.1021/om050755k","","","0.7107","MoKα","","0.1111","0.0814","","","0.1925","0.219","","","","","","1.162","","","","has coordinates","178650","2020-10-21","18:00:00",""
"4076251","11.8918","0.0008","17.5341","0.0012","26.0493","0.0016","90","","90","","90","","5431.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H81 Mo2 N7 O9 -","- C50 H81 Mo2 N7 O9 -","- C200 H324 Mo8 N28 O36 -","4","1","","Adrian, Rafael A.; Yaklin, Marsha M.; Klausmeyer, Kevin K.","Synthesis and Characterization of Bi- and Trinuclear Molybdenum Carbonyl Compounds Obtained by Ligand Exchange Reactions of [Et4N]3[Mo3(CO)9(OMe)3]","Organometallics","2004","23","6","1352","","10.1021/om034260b","","","0.71073","MoKα","","0.087","0.059","","","0.1403","0.1541","","","","","","1.015","","","","has coordinates,has disorder","178651","2020-10-21","18:00:00",""
"4076252","15.089","0.003","19.2429","0.0015","19.329","0.003","90","","90","","90","","5612.3","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H75 Mo2 N7 O9 -","- C53 H75 Mo2 N7 O9 -","- C212 H300 Mo8 N28 O36 -","4","1","","Adrian, Rafael A.; Yaklin, Marsha M.; Klausmeyer, Kevin K.","Synthesis and Characterization of Bi- and Trinuclear Molybdenum Carbonyl Compounds Obtained by Ligand Exchange Reactions of [Et4N]3[Mo3(CO)9(OMe)3]","Organometallics","2004","23","6","1352","","10.1021/om034260b","","","0.71073","MoKα","","0.0659","0.0494","","","0.1031","0.1088","","","","","","1.07","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076288","11.2859","0.0001","14.6377","0.0001","17.7437","0.0001","90","","90","","90","","2931.25","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 N2 Pt -","- C33 H42 N2 Pt -","- C132 H168 N8 Pt4 -","4","1","","Hoogervorst, Wilhelmus J.; Koster, Anne L.; Lutz, Martin; Spek, Anthony L.; Elsevier, Cornelis J.","trans-Arylplatinum(II) Methyl Compounds Containing a Bis(imino)aryl [NCN] Ligand","Organometallics","2004","23","5","1161","","10.1021/om0343972","","","0.71073","MoKα","","0.0158","0.0153","","","0.0359","0.0361","","","","","","1.05","","","","has coordinates","178651","2020-10-21","18:00:00",""
"4076319","10.5185","0.0001","11.146","0.0001","16.7776","0.0002","90","","90","","90","","1966.99","0.03","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Cl N4 Pt -","- C20 H25 Cl N4 Pt -","- C80 H100 Cl4 N16 Pt4 -","4","1","","Zhang, Xiaofei; Wright, Ashley M.; DeYonker, Nathan J.; Hollis, T. Keith; Hammer, Nathan I.; Webster, Charles Edwin; Valente, Edward J.","Synthesis, Air Stability, Photobleaching, and DFT Modeling of Blue Light Emitting Platinum CCC-N-Heterocyclic Carbene Pincer Complexes","Organometallics","2012","31","5","1664","","10.1021/om200687w","","","0.71073","MoKα","","0.02","0.0169","","","0.0317","0.0319","","","","","","1.003","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076320","10.314","0.0001","11.1814","0.0002","16.9083","0.0002","90","","90","","90","","1949.95","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Br N4 Pt -","- C20 H25 Br N4 Pt -","- C80 H100 Br4 N16 Pt4 -","4","1","","Zhang, Xiaofei; Wright, Ashley M.; DeYonker, Nathan J.; Hollis, T. Keith; Hammer, Nathan I.; Webster, Charles Edwin; Valente, Edward J.","Synthesis, Air Stability, Photobleaching, and DFT Modeling of Blue Light Emitting Platinum CCC-N-Heterocyclic Carbene Pincer Complexes","Organometallics","2012","31","5","1664","","10.1021/om200687w","","","0.71073","MoKα","","0.0419","0.0299","","","0.0639","0.0716","","","","","","1.009","","","","has coordinates,has disorder","178652","2020-10-21","18:00:00",""
"4076387","9.19","0.004","12.995","0.005","13.616","0.005","90","","90","","90","","1626.1","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H27 B9 N2 -","- C9 H27 B9 N2 -","- C36 H108 B36 N8 -","4","1","","Yao, Zi-Jian; Jin, Guo-Xin","Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives","Organometallics","2012","31","5","1767","","10.1021/om2011358","","","0.71073","MoKα","","0.0723","0.0622","","","0.1597","0.1662","","","","","","1.026","","","","has coordinates","178652","2020-10-21","18:00:00",""
"4076410","6.8594","0.0003","9.8038","0.0005","12.3203","0.0006","90","","90","","90","","828.52","0.07","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 As4 O3 -","- C3 H6 As4 O3 -","- C12 H24 As16 O12 -","4","1","","Lu, Di; Coote, Michelle L.; Ho, Junming; Kilah, Nathan L.; Lin, Ching-Yeh; Salem, Geoff; Weir, Michelle L.; Willis, Anthony C.; Wild, S. Bruce; Dilda, Pierre J.","Resolution and Improved Synthesis of (±)-Arsenicin A: A Natural Adamantane-Type Tetraarsenical Possessing Strong Anti-Acute Promelocytic Leukemia Cell Line Activity","Organometallics","2012","31","5","1808","","10.1021/om201180d","","","0.71073","MoKα","","0.0414","0.0355","","0.0835","0.0804","0.0835","","","","","","1.0708","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076448","9.0264","0.0003","12.1669","0.0005","16.8721","0.0006","90","","90","","90","","1852.95","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","JMM02053","JMM02053","","- C19 H33 Ir N2 -","- C19 H33 Ir N2 -","- C76 H132 Ir4 N8 -","4","1","","Meredith, Joseph M.; Robinson, Robert; Goldberg, Karen I.; Kaminsky, Werner; Heinekey, D. Michael","C‒H Bond Activation by Cationic Iridium(III) NHC Complexes: A Combined Experimental and Computational Study","Organometallics","2012","31","5","1879","","10.1021/om2012166","","","0.71073","MoKα","","0.0438","0.0425","","","0.1129","0.1139","","","","","","1.057","","","","has coordinates","178653","2020-10-21","18:00:00",""
"4076465","15.0677","0.0018","17.262","0.002","24.847","0.003","90","","90","","90","","6462.7","1.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C60 H63 B2 Br F24 Fe P2 Pt -","- C60 H63 B2 Br F24 Fe P2 Pt -","- C240 H252 B8 Br4 F96 Fe4 P8 Pt4 -","4","1","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter; Jimenez-Halla, J. Oscar C.; Kupfer, Thomas; Radacki, Krzysztof","Reactivity of Boryl Complexes: Synthesis and Structure of New Neutral and Cationic Platinum Boryls and Borylenes","Organometallics","2012","31","5","1897","","10.1021/om2012248","","","0.71073","MoKα","","0.0212","0.0182","","","0.0378","0.0383","","","","","","1.035","","","","has coordinates,has disorder","178653","2020-10-21","18:00:00",""
"4076479","13.0623","0.0004","16.4429","0.0005","19.0786","0.0007","90","","90","","90","","4097.7","0.2","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 Cl2 N4 O5 -","- C43 H48 Cl2 N4 O5 -","- C172 H192 Cl8 N16 O20 -","4","1","","Braun, Markus; Frank, Walter; Ganter, Christian","Reactivity of an Oxalamide-Based N-Heterocyclic Carbene","Organometallics","2012","31","5","1927","","10.1021/om201235c","","","0.71073","MoKα","","0.0779","0.0691","","","0.1297","0.1328","","","","","","1.215","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076496","17.1199","0.0007","23.1437","0.001","34.8624","0.0015","90","","90","","90","","13813.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40.25 H39 Cl2 N3 Zr -","- C40.25 H39 Cl2 N3 Zr -","- C644 H624 Cl32 N48 Zr16 -","16","4","","Tonks, Ian A.; Tofan, Daniel; Weintrob, Edward C.; Agapie, Theodor; Bercaw, John E.","Zirconium and Titanium Propylene Polymerization Precatalysts Supported by a FluxionalC2-Symmetric Bis(anilide)pyridine Ligand","Organometallics","2012","31","5","1965","","10.1021/om201262h","","","0.71073","MoKα","","0.0527","0.0345","","","0.0543","0.0553","","","","","","1.589","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4076501","12.203","0.005","12.279","0.005","12.413","0.005","90","","90","","90","","1860","1.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H33 Co N P3 -","- C12 H33 Co N P3 -","- C48 H132 Co4 N4 P12 -","4","1","","Xu, Hongwei; Williard, Paul G.; Bernskoetter, Wesley H.","C‒CN Bond Activation of Acetonitrile using Cobalt(I)","Organometallics","2012","31","5","1588","","10.1021/om201270n","","","0.71073","MoKα","","0.0492","0.0447","","","0.1134","0.1184","","","","","","1.086","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076504","12.7365","0.0017","13.2256","0.0017","20.124","0.003","90","","90","","90","","3389.8","0.8","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H51 B2 F4 N6 O Os P -","- C30 H51 B2 F4 N6 O Os P -","- C120 H204 B8 F16 N24 O4 Os4 P4 -","4","1","","Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique","Anti-Markovnikov 1,3-CH Addition of Allenes to Allenes: A Straightforward Method To Prepare Osmium‒Dienylcarbene Complexes","Organometallics","2012","31","5","1991","","10.1021/om201272q","","","0.71073","MoKα","","0.0627","0.0436","","","0.0756","0.0828","","","","","","0.998","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076546","11.6228","0.0004","18.1284","0.0007","23.6578","0.0009","90","","90","","90","","4984.8","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H13 B F15 N -","- C27 H13 B F15 N -","- C216 H104 B8 F120 N8 -","8","2","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","0.71073","MoKα","","0.0387","0.0315","","","0.0716","0.0758","","","","","","1.021","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076552","7.5203","0.0003","18.6531","0.0008","19.9816","0.001","90","","90","","90","","2803","0.2","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H15 B F15 N O2 -","- C28 H15 B F15 N O2 -","- C112 H60 B4 F60 N4 O8 -","4","1","","Voss, Tanja; Mahdi, Tayseer; Otten, Edwin; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Frustrated Lewis Pair Behavior of Intermolecular Amine/B(C6F5)3Pairs","Organometallics","2012","31","6","2367","","10.1021/om300017u","","","1.54178","CuKα","","0.0704","0.043","","","0.0874","0.1019","","","","","","1.035","","","","has coordinates","178654","2020-10-21","18:00:00",""
"4076565","13.9582","0.0015","15.3057","0.0017","17.0851","0.0019","90","","90","","90","","3650.1","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Co N2 O2 -","- C45 H43 Co N2 O2 -","- C180 H172 Co4 N8 O8 -","4","1","","Singh, Nem; Elias, Anil J.","Cyclopentadienyl 1,2- and 1,3-Disubstituted Cobalt Sandwich Compounds {η5-[MeOC(O)]2C5H3} Co(η4-C4Ph4): Precursors for Sterically Hindered Bidentate Chiral and Achiral Ligands","Organometallics","2012","31","5","2059","","10.1021/om300027c","","","0.71073","MoKα","","0.0456","0.0435","","","0.0998","0.1009","","","","","","1.184","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4076585","8.8154","0.0003","12.905","0.0006","19.3331","0.0005","90","","90","","90","","2199.39","0.14","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H6 B F15 -","- C23 H6 B F15 -","- C92 H24 B4 F60 -","4","1","","Feldmann, Andreas; Iida, Azusa; Fröhlich, Roland; Yamaguchi, Shigehiro; Kehr, Gerald; Erker, Gerhard","Preparation of Dihydroborole Derivatives by a Simple 1,1-Carboboration Route","Organometallics","2012","31","6","2445","","10.1021/om300065m","","","1.54178","CuKα","","0.0335","0.0317","","","0.0854","0.0871","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4076594","15.9418","0.0002","16.7687","0.0002","26.4606","0.0004","90","","90","","90","","7073.53","0.16","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[K(2,2,2-crypt)]{P[C(NHDipp)(NDipp)][C(NHiPr)(NiPr)]}*hex","","- C56 H100 K N6 O6 P7 -","- C56 H100 K N6 O6 P7 -","- C224 H400 K4 N24 O24 P28 -","4","1","","Turbervill, Robert S. P.; Goicoechea, Jose M.","Hydrophosphination of Carbodiimides Using Protic Heptaphosphide Cages: A Unique Effect of the Bimodal Activity of Protonated Group 15 Zintl Ions","Organometallics","2012","31","6","2452","","10.1021/om300072z","","","1.54178","CuKα","","0.0729","0.0631","","","0.1699","0.1799","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4076637","8.5673","0.0005","11.4116","0.0012","22.8696","0.0019","90","","90","","90","","2235.9","0.3","290","2","290","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 B N6 O Re S2 -","- C17 H26 B N6 O Re S2 -","- C68 H104 B4 N24 O4 Re4 S8 -","4","1","","Gable, Kevin P.; Chuawong, Pitak; Yokochi, Alexandre F. T.","Thermal Stability of Tris(3,5-dimethylpyrazolyl)hydridoboratorhenium(V)(oxo)- (1,2-dithiolate) and -(1,2-monothiodiolate) Complexes and DFT Studies of C−S Bond Cleavage","Organometallics","2002","21","5","929","","10.1021/om0107385","","","1.54178","CuKα","","0.03","0.0284","","","0.0721","0.0744","","","","","","1.069","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4076642","8.837","0.001","14.415","0.001","17.072","0.001","90","","90","","90","","2174.7","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H34 Fe O7 P2 -","- C17 H34 Fe O7 P2 -","- C68 H136 Fe4 O28 P8 -","4","1","","Jenny, Titus A.; Huber, Vroni; Ma, Liqian; Raemy, Jacques; Zeller, David; Stoeckli-Evans, Helen","Synthesis, X-ray Structure, and Reactivity of Phosphine-Substituted Iron Carbonyl Complexes Containingσ-Alkyl−π-Allyl Ligands","Organometallics","2002","21","12","2504","","10.1021/om010781s","","","0.71073","MoKα","","0.0338","0.0318","","0.0852","0.0828","","","","1.083","1.076","1.076","","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4076677","11.7422","0.0011","11.8833","0.0011","26.064","0.002","90","","90","","90","","3636.9","0.6","193","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(P-N)Pt(C4Ph4)","","","- C39 H46 Cl2 N P Pt -","- C39 H46 Cl2 N P Pt -","- C156 H184 Cl8 N4 P4 Pt4 -","4","1","","Müller, Christian; Lachicotte, Rene J.; Jones, William D.","Chelating P,N versus P,P Ligands: Differing Reactivity of Donor-Stabilized Pt(η2-PhC⋮CPh) Complexes Toward Diphenylacetylene","Organometallics","2002","21","6","1118","","10.1021/om010924a","","","0.71073","MoKα","","0.1081","0.0827","","","0.1478","0.1565","","","","","","1.066","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4076698","12.7234","0.0006","13.456","0.0006","23.7193","0.001","90","","90","","90","","4060.9","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dimesityl-1,8-naphthalenediylborate-Li(py)4 ?","","- C48 H48 B Li N4 -","- C48 H48 B Li N4 -","- C192 H192 B4 Li4 N16 -","4","1","","Hoefelmeyer, James D.; Gabbaï, François P.","Synthesis of 1,8-Diborylnaphthalenes by the Ring-Opening Reaction of a New Anionic Boron-Bridged Naphthalene Derivative","Organometallics","2002","21","5","982","","10.1021/om010946x","","","0.71073","MoKα","","0.0686","0.0519","","","0.1193","0.1278","","","","","","0.976","","","","has coordinates","178655","2020-10-21","18:00:00",""
"4076740","13.4154","0.0008","15.7625","0.0009","21.1569","0.0012","90","","90","","90","","4473.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[Et4N][Ru(Sxylyl)4Cl] ?","","- C41 H58 Cl3 N Ru S4 -","- C41 H58 Cl3 N Ru S4 -","- C164 H232 Cl12 N4 Ru4 S16 -","4","1","","Zhang, Qian-Feng; Lai, Chui-Ying; Wong, Wai-Yeung; Leung, Wa-Hung","σ-Acetylide Complexes of Ruthenium(IV) and Osmium(IV) Thiolates","Organometallics","2002","21","19","4017","","10.1021/om011019t","","","0.71073","MoKα","","0.0817","0.0385","","","0.0853","0.103","","","","","","0.762","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076775","16.701","0.004","20.811","0.015","9.5303","0.0019","90","","90","","90","","3312","3","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H38 O4 Ru2 Si2 -","- C33 H38 O4 Ru2 Si2 -","- C132 H152 O16 Ru8 Si8 -","4","1","","Matsubara, Kouki; Ryu, Kazuhiro; Maki, Tomoyuki; Iura, Takafumi; Nagashima, Hideo","Oxidative Addition of H−SiR3to Di- and Triruthenium Carbonyl Complexes Bearing a Bridging Azulene Ligand: Isolation of New Silylruthenium Complexes and Catalytic Hydrosilylation of Ketones","Organometallics","2002","21","14","3023","","10.1021/om0200050","","","0.71069","MoKα","","0.1329","0.0588","","","0.0966","0.1152","","","","","","1.028","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076776","8.6242","0.0004","10.2424","0.0004","29.6826","0.0013","90","","90","","90","","2621.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Mn O3 -","- C16 H9 Mn O3 -","- C128 H72 Mn8 O24 -","8","2","","Decken, Andreas; MacKay, Andrew J.; Brown, Martin J.; Bottomley, Frank","Synthesis, Characterization, and Thermochemistry of (η1-C13H9)Mn(CO)5and (η5-C13H9)Mn(CO)3","Organometallics","2002","21","9","2006","","10.1021/om020013g","","","0.71073","MoKα","","0.0415","0.029","","","0.0578","0.06","","","","","","0.919","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076786","13.71","0.003","18.183","0.005","18.528","0.005","90","","90","","90","","4619","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","nonacarbonyltri-μ-hydrido-μ~3~-hydrido(triphenylphosphine) [(triphenylphosphine)gold]trirhenium","","- C45 H34 Au O9 P2 Re3 -","- C45 H34 Au O9 P2 Re3 -","- C180 H136 Au4 O36 P8 Re12 -","4","1","","Beringhelli, Tiziana; D'Alfonso, Giuseppe; Garavaglia, Maria Grazia; Panigati, Monica; Mercandelli, Pierluigi; Sironi, Angelo","Synthesis, Solid-State Structure and Solution Behavior of Hydrido-Bridged Adducts between the Group 11 [M(PPh3)]+Cations and the Triangular Cluster Anion [Re3(μ-H)4(CO)9(PPh3)]-","Organometallics","2002","21","13","2705","","10.1021/om0200252","","","0.71073","MoKα","","0.0249","0.0216","","","0.05","0.0514","","","","","","1.075","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076788","13.659","0.003","18.135","0.005","18.529","0.005","90","","90","","90","","4590","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","nonacarbonyltri-μ-hydrido-μ~3~-hydrido(triphenylphosphine) [(triphenylphosphine)silver]trirhenium","","- C45 H34 Cu O9 P2 Re3 -","- C45 H34 Cu O9 P2 Re3 -","- C180 H136 Cu4 O36 P8 Re12 -","4","1","","Beringhelli, Tiziana; D'Alfonso, Giuseppe; Garavaglia, Maria Grazia; Panigati, Monica; Mercandelli, Pierluigi; Sironi, Angelo","Synthesis, Solid-State Structure and Solution Behavior of Hydrido-Bridged Adducts between the Group 11 [M(PPh3)]+Cations and the Triangular Cluster Anion [Re3(μ-H)4(CO)9(PPh3)]-","Organometallics","2002","21","13","2705","","10.1021/om0200252","","","0.71073","MoKα","","0.0503","0.0315","","","0.0603","0.0664","","","","","","1.048","","","","has coordinates","178656","2020-10-21","18:00:00",""
"4076853","10.0304","0.0002","13.3552","0.0003","34.9411","0.0009","90","","90","","90","","4680.64","0.19","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H56 Cl O5 P2 Rh -","- C47 H56 Cl O5 P2 Rh -","- C188 H224 Cl4 O20 P8 Rh4 -","4","1","","Suárez, Andrés; Méndez-Rojas, Miguel A.; Pizzano, Antonio","Electronic Differences between Coordinating Functionalities of Chiral Phosphine−Phosphites and Effects in Catalytic Enantioselective Hydrogenation","Organometallics","2002","21","22","4611","","10.1021/om020140c","","","0.71073","MoKα","","0.0425","0.0336","","","0.0738","0.0843","","","","","","1.035","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076856","9.634","0.0003","10.754","0.0004","24.336","0.0008","90","","90","","90","","2521.31","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 Si2 Ti -","- C26 H42 Si2 Ti -","- C104 H168 Si8 Ti4 -","4","1","","Lukešová, Lenka; Štěpnička, Petr; Fejfarová, Karla; Gyepes, Róbert; Císařová, Ivana; Horáček, Michal; Kubišta, Jiří; Mach, Karel","Reduction-Induced Cyclization and Redox Reactions of Fully Methylated Titanocene Dichlorides Bearing Pendant Alkenyldimethylsilyl Groups, [TiCl2{η5-C5Me4(SiMe2R)}2] (R = Vinyl and Allyl)","Organometallics","2002","21","13","2639","","10.1021/om020150d","","","0.71073","MoKα","","0.0495","0.0423","","","0.0934","0.0985","","","","","","1.077","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076874","7.7777","0.0002","12.3567","0.0003","25.3634","0.0007","90","","90","","90","","2437.59","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl2 N P2 V -","- C18 H36 Cl2 N P2 V -","- C72 H144 Cl8 N4 P8 V4 -","4","1","","Bradley, Sam; Camm, Kenneth D.; Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.; Podesta, Thomas J.; Thornton-Pett, Mark","Synthesis and Structure of Amino-Functionalized Cyclopentadienyl Vanadium Complexes and Evaluation of Their Butadiene Polymerization Behavior","Organometallics","2002","21","16","3443","","10.1021/om020170f","","","0.71073","MoKα","","0.0542","0.0394","","","0.0926","0.1012","","","","","","1.011","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076894","17.9286","0.0007","21.6998","0.0008","8.7517","0.0002","90","","90","","90","","3404.8","0.2","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound 1a","","","- C31 H49 B Co N6 O2 -","- C31 H49 B Co N6 O2 -","- C124 H196 B4 Co4 N24 O8 -","4","1","","Yoshimitsu, Shin-ichi; Hikichi, Shiro; Akita, Munetaka","Synthesis and Characterization of Coordinatively Unsaturated Alkynyl- and Aryl-Cobalt Complexes with 15 Valence Electrons, TpiPr2Co−R, Bearing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (TpiPr2)","Organometallics","2002","21","18","3762","","10.1021/om020268u","","","0.71069","MoKα","","0.0556","0.0489","","","0.1242","0.1287","","","","","","0.849","","","","has coordinates","178657","2020-10-21","18:00:00",""
"4076935","8.857","0.002","11.944","0.003","31.81","0.008","90","","90","","90","","3365.1","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 3e","","","- C38 H40 Fe O4 Os -","- C38 H40 Fe O4 Os -","- C152 H160 Fe4 O16 Os4 -","4","1","","Lindner, Ekkehard; Ayasse, Christoph S.; Eichele, Klaus; Steimann, Manfred","Macrocyclic Di- and Tetranuclear Osmacycloferrocenophanes†,1","Organometallics","2002","21","20","4217","","10.1021/om020310l","","","0.71073","MoKα","","0.0296","0.0273","","","0.0668","0.0678","","","","","","1.072","","","","has coordinates","178658","2020-10-21","18:00:00",""
"4076947","10.284","0.0002","11.917","0.0002","21.77","0.0005","90","","90","","90","","2668.01","0.09","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 B2 O7 P -","- C24 H39 B2 O7 P -","- C96 H156 B8 O28 P4 -","4","1","","Ali, Hijazi Abu; El Aziz Al Quntar, Abed; Goldberg, Israel; Srebnik, Morris","Platinum(0)-Catalyzed Diboration of Alkynylboronates and Alkynylphosphonates with Bis(pinacolato)diborane(4): Molecular Structures of [((Me4C2O2)B)(C6H5)CC(P(O)(OC2H5)2)(B(O2C2Me4))] and [((Me4C2O2)B)(C4H9)CC(B(O2C2Me4))2]","Organometallics","2002","21","21","4533","","10.1021/om020334s","","","0.71073","MoKα","","0.0877","0.058","","","0.1407","0.1599","","","","","","0.998","","","","has coordinates,has disorder","178658","2020-10-21","18:00:00",""
"4077016","14.4671","0.0003","17.686","0.0002","7.7624","0.0001","90","","90","","90","","1986.13","0.05","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H34 Cl2 Cu N4 O -","- C16 H34 Cl2 Cu N4 O -","- C64 H136 Cl8 Cu4 N16 O4 -","4","1","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.0402","0.0376","","0.0827","0.0812","","","","1.082","1.087","1.087","","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077017","11.2421","0.0001","20.6154","0.0002","9.5218","0.0001","90","","90","","90","","2206.78","0.04","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H34 Cu I2 N4 O -","- C16 H34 Cu I2 N4 O -","- C64 H136 Cu4 I8 N16 O4 -","4","1","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.0345","0.0334","","0.0821","0.0813","","","","1.063","1.066","1.066","","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077019","14.245","0.0003","17.703","0.0004","8.4957","0.0002","90","","90","","90","","2142.44","0.08","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H32 B2 Cu F8 N4 -","- C16 H32 B2 Cu F8 N4 -","- C64 H128 B8 Cu4 F32 N16 -","4","1","","Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong","Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity","Organometallics","2002","21","21","4513","","10.1021/om020425p","","","0.71069","MoKα","","0.0489","0.0468","","0.1144","0.1127","","","","1.058","1.061","1.061","","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077034","12.587","0.003","16.097","0.003","10.841","0.003","90","","90","","90","","2196.5","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 Cl3 N Pd -","- C19 H30 Cl3 N Pd -","- C76 H120 Cl12 N4 Pd4 -","4","1","","Mashima, Kazushi; Shimizu, Daisuke; Yamagata, Tsuneaki; Tani, Kazuhide","Ring Methyl Activation of 1,2-Dimethyl-3,4-di(tert-butyl)cyclobutadiene Complexes of Palladium Givingexo-Methylene-η3-cyclobutenyl Complexes of Palladium","Organometallics","2002","21","23","5136","","10.1021/om0204484","","","0.71069","MoKα","","0.0545","0.0331","","","0.0781","0.0855","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077040","10.0638","0.0009","14.8937","0.0013","22.594","0.002","90","","90","","90","","3386.6","0.5","180","2","180","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Fe O3 P2 -","- C40 H38 Fe O3 P2 -","- C160 H152 Fe4 O12 P8 -","4","1","","Chiffre, Jérôme; Coppel, Yannick; Balavoine, Gilbert G. A.; Daran, Jean-Claude; Manoury, Eric","Selective Functionalization of Chiral Ferrocenyl Acetals. Easy Access to Various Tri- and Tetrasubstituted Ferrocenes with Controlled Geometry","Organometallics","2002","21","21","4552","","10.1021/om020462g","","","0.71073","MoKα","","0.0904","0.0595","","","0.1033","0.1133","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077041","8.711","0.005","16.986","0.005","19.351","0.005","90","0.005","90","0.005","90","0.005","2863","2","160","2","160","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Fe O3 P S -","- C34 H33 Fe O3 P S -","- C136 H132 Fe4 O12 P4 S4 -","4","1","","Chiffre, Jérôme; Coppel, Yannick; Balavoine, Gilbert G. A.; Daran, Jean-Claude; Manoury, Eric","Selective Functionalization of Chiral Ferrocenyl Acetals. Easy Access to Various Tri- and Tetrasubstituted Ferrocenes with Controlled Geometry","Organometallics","2002","21","21","4552","","10.1021/om020462g","","","0.71069","MoKα","","0.1087","0.0928","","","0.1962","0.2055","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4077042","12.3089","0.0011","12.9052","0.0015","15.0422","0.0016","90","","90","","90","","2389.4","0.4","160","2","160","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Fe O P Si -","- C26 H27 Fe O P Si -","- C104 H108 Fe4 O4 P4 Si4 -","4","1","","Chiffre, Jérôme; Coppel, Yannick; Balavoine, Gilbert G. A.; Daran, Jean-Claude; Manoury, Eric","Selective Functionalization of Chiral Ferrocenyl Acetals. Easy Access to Various Tri- and Tetrasubstituted Ferrocenes with Controlled Geometry","Organometallics","2002","21","21","4552","","10.1021/om020462g","","","0.71073","MoKα","","0.0454","0.0347","","","0.0768","0.0811","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077060","11.923","0.002","13.351","0.003","20.299","0.004","90","","90","","90","","3231.3","1.1","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H35 Cl P2 Ru -","- C39 H35 Cl P2 Ru -","- C156 H140 Cl4 P8 Ru4 -","4","1","","Liu, Sheng Hua; Ng, Sze Ming; Wen, Ting Bin; Zhou, Zhong Yuan; Lin, Zhenyang; Lau, Chak Po; Jia, Guochen","Synthesis and Protonation of [RuH(NBD)(2,6-(Ph2PCH2)2C6H3)]","Organometallics","2002","21","20","4281","","10.1021/om020521q","","","0.71073","MoKα","","0.0312","0.0261","","","0.0576","0.0597","","","","","","1.008","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077068","13.2409","0.0003","20.0499","0.0005","20.387","0.001","90","","90","","90","","5412.3","0.3","173.2","","173.2","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 Cl7 F6 N2 O P3 Ru -","- C56 H42 Cl7 F6 N2 O P3 Ru -","- C224 H168 Cl28 F24 N8 O4 P12 Ru4 -","4","1","","Cyr, Paul W.; Rettig, Steven J.; Patrick, Brian O.; James, Brian R.","Formation of Ruthenium(II)−Bis(phosphine) Monoxide Complexes from the Bis(phosphine) Precursors: BINAP-Monoxide (BINAPO) as a Six-Electron (P,O,η2-Naphthyl) Donor","Organometallics","2002","21","22","4672","","10.1021/om0205344","","","0.7107","MoKα","","0.0768","0.041","","0.1107","","0.1107","","","1.171","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077070","5.816","0.0012","13.977","0.003","19.434","0.004","90","","90","","90","","1579.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 O3 Rh -","- C17 H21 O3 Rh -","- C68 H84 O12 Rh4 -","4","1","","Busetto, Luigi; Cassani, M. Cristina; Mazzoni, Rita; Albano, Vincenzo G.; Sabatino, Piera; Frediani, Piero; Rivalta, Eleonora","Coordination Chemistry of Ester-Functionalized Cp Ligands. A Versatile Approach to the Chiral Hydroxyalkoxycarbonylcyclopentadienide [C5H4CO2(CHMe)2OH]-. Synthesis, Structure, and Catalytic Activity of Rhodium(I) and Iron(II) Complexes","Organometallics","2002","21","23","4993","","10.1021/om0205492","","","0.71073","MoKα","","0.0373","0.0359","","","0.0958","0.0976","","","","","","0.935","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077078","13.273","0.001","13.226","0.001","28.646","0.001","90","","90","","90","","5028.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H38 Fe4 N4 O12 -","- C50 H38 Fe4 N4 O12 -","- C200 H152 Fe16 N16 O48 -","4","1","","Son, Seung Uk; Park, Kang Hyun; Jung, Il Gu; Chung, Young Keun; Lah, Myoung Soo","Reactions of Fe2(CO)9with Azine Derivatives: Discovery of New Coordination Modes and Reactivity of New Bimetallic Compounds","Organometallics","2002","21","24","5366","","10.1021/om0205546","","","0.71073","MoKα","","0.145","0.0443","","","0.0853","0.0994","","","","","","0.794","","","","has coordinates","178659","2020-10-21","18:00:00",""
"4077097","10.7042","0.0005","11.9454","0.0007","27.896","0.002","90","","90","","90","","3566.9","0.4","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 Cl F6 N O P Rh Sb -","- C34 H39 Cl F6 N O P Rh Sb -","- C136 H156 Cl4 F24 N4 O4 P4 Rh4 Sb4 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0508","0.038","","","0.0824","0.0856","","","","","","0.948","","","","has coordinates,has disorder","178659","2020-10-21","18:00:00",""
"4077099","10.992","0.002","14.157","0.003","22.863","0.004","90","","90","","90","","3557.8","1.2","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37.5 B Cl F4 N O1.25 P Rh -","- C32 H35 B Cl F4 N O P Rh -","- C128 H140 B4 Cl4 F16 N4 O4 P4 Rh4 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.1151","0.0614","","","0.1119","0.1275","","","","","","0.949","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077100","11.895","0.0008","12.7601","0.0008","23.865","0.002","90","","90","","90","","3622.3","0.5","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C38 H37 Cl F6 N O P Rh Sb -","- C38 H37 Cl F6 N O P Rh Sb -","- C152 H148 Cl4 F24 N4 O4 P4 Rh4 Sb4 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0632","0.0418","","","0.0729","0.0815","","","","","","1.028","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077102","11.7815","0.0007","16.1335","0.001","17.2609","0.0013","90","","90","","90","","3280.9","0.4","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 B Cl F4 Ir N O P -","- C34 H39 B Cl F4 Ir N O P -","- C136 H156 B4 Cl4 F16 Ir4 N4 O4 P4 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0393","0.0313","","","0.0651","0.0667","","","","","","0.947","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00",""
"4077105","11.1225","0.0013","15.7307","0.0015","25.126","0.003","90","","90","","90","","4396.2","0.8","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 F12 N O3 P Rh Sb2 -","- C38 H41 F12 N O3 P Rh Sb2 -","- C152 H164 F48 N4 O12 P4 Rh4 Sb8 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Sánchez, Fernando; Martínez, Sonia; Cativiela, Carlos; López-Ram de Víu, M. Pilar","Synthesis, Characterization, Properties, and Asymmetric Catalytic Diels−Alder Reactions of Chiral-at-Metal Phosphinooxazoline-Rhodium(III) and −Iridium(III) Complexes§","Organometallics","2002","21","23","5100","","10.1021/om020582o","","","0.71073","MoKα","","0.0638","0.0431","","","0.085","0.0894","","","","","","0.927","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00",""
"4077118","9.7712","0.001","14.9173","0.0016","22.791","0.003","90","","90","","90","","3322","0.7","153","2","153","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 B Cl F7 N P2 Rh -","- C35 H33 B Cl F7 N P2 Rh -","- C140 H132 B4 Cl4 F28 N4 P8 Rh4 -","4","1","","Bellabarba, Ronan M.; Nieuwenhuyzen, Mark; Saunders, Graham C.","Intramolecular Dehydrofluorinative Coupling of η5-Pentamethylcyclopentadienyl and Pentafluorophenylphosphine Ligands in Rhodium Complexes","Organometallics","2002","21","26","5726","","10.1021/om020612n","","","0.71073","MoKα","","0.1393","0.0588","","","0.1221","0.1648","","","","","","0.943","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077126","10.4228","0.0016","14.4761","0.0019","20.385","0.003","90","","90","","90","","3075.7","0.8","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 Cl P2 Pt -","- C29 H43 Cl P2 Pt -","- C116 H172 Cl4 P8 Pt4 -","4","1","","Jacob, Volker; Weakley, Timothy J. R.; Haley, Michael M.","Rearrangement of a σ-2-(Cycloprop-2-enyl)vinyl- to an η3-Cyclopentadienylplatinum(II) Complex. Selective Protonolysis of the Platinum−Methyl Bond","Organometallics","2002","21","24","5394","","10.1021/om0206507","","","0.71073","MoKα","","0.042","0.025","","0.063","","0.028","","","1.39","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077172","8.877","0.0013","27.103","0.004","30.421","0.004","90","","90","","90","","7319.1","1.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 Zr -","- C28 H34 N2 Zr -","- C336 H408 N24 Zr12 -","12","3","","Ramakrishna, T. V. V.; Lushnikova, Svetlana; Sharp, Paul R.","Cp2Zr(η2-benzocyclobutadiene)(PMe3), a Rare η2-Cyclobutadiene Complex","Organometallics","2002","21","26","5685","","10.1021/om020829h","","","0.71073","MoKα","","0.1456","0.1007","","","0.2563","0.3004","","","","","","1.053","","","","has coordinates","178660","2020-10-21","18:00:00",""
"4077198","12.7689","0.0003","13.098","0.0003","22.4779","0.0001","90","","90","","90","","3759.36","0.12","123","2","123","2","","","","","","","chemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,7,8,9,10-octahydro-1,1,4,4,7,7,10,10-octamethylnaphthacene/ nitrozonium hexachloroantimonate molecular complex 1:1 dichloromethane disolvate","","- C28 H40 Cl10 N O Sb -","- C28 H40 Cl10 N0.99 O0.99 Sb -","- C112 H160 Cl40 N3.96 O3.96 Sb4 -","4","1","","Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.","Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures","Organometallics","2001","20","1","115","","10.1021/om000658l","","","0.71073","MoKα","","0.0962","0.0614","","0.1362","0.1127","","","","1.144","1.105","1.105","","","","","has coordinates,has disorder","178660","2020-10-21","18:00:00",""
"4077200","15.681","0.001","17.003","0.001","17.059","0.001","90","","90","","90","","4548.3","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 Cl N Nb Si -","- C21 H33 Cl N Nb Si -","- C168 H264 Cl8 N8 Nb8 Si8 -","8","2","","Antiñolo, Antonio; López-Solera, Isabel; Orive, Irache; Otero, Antonio; Prashar, Sanjiv; Rodríguez, Ana M.; Villaseñor, Elena","Niobium and Zirconium Complexes Incorporating Asymmetrically SubstitutedansaLigands. X-ray Crystal Structures of [Me2Si(η5-C5Me4)(η5-C5H3R)]Nb(NtBu)Cl (R = Me,iPr) and [Me2Si(η5-C5Me4)(η5-C5H3R)]ZrCl2(R = H, Me)","Organometallics","2001","20","1","71","","10.1021/om0006662","","","0.71073","MoKα","","0.0862","0.0477","","","0.101","0.1129","","","","","","1.015","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077263","6.7065","0.0014","14.0124","0.0011","18.68","0.0017","90","","90","","90","","1755.4","0.4","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H22 B10 Fe O2 S2 -","- C7 H22 B10 Fe O2 S2 -","- C28 H88 B40 Fe4 O8 S8 -","4","1","","Franken, Andreas; Du, Shaowu; Jelliss, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.","Cage Substitution Reactions of Monocarbollide Carbonyl Complexes of Iron: Generation of Iminium Groups at a Boron Vertex†","Organometallics","2001","20","8","1597","","10.1021/om001057x","","","0.71073","MoKα","","0.0428","0.033","","","0.0686","0.072","","","","","","1.04","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077266","9.3727","0.0013","12.8796","0.0008","16.719","0.002","90","","90","","90","","2018.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H27 B10 Fe N O2 -","- C12 H27 B10 Fe N O2 -","- C48 H108 B40 Fe4 N4 O8 -","4","1","","Franken, Andreas; Du, Shaowu; Jelliss, Paul A.; Kautz, Jason A.; Stone, F. Gordon A.","Cage Substitution Reactions of Monocarbollide Carbonyl Complexes of Iron: Generation of Iminium Groups at a Boron Vertex†","Organometallics","2001","20","8","1597","","10.1021/om001057x","","","0.71073","MoKα","","0.035","0.0311","","","0.0792","0.0817","","","","","","1.056","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077283","14.026","0.0004","15.837","0.0006","27.756","0.001","90","","90","","90","","6165.4","0.4","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37 H88 B10 I2 Li2 O12 Si Yb -","- C37 H88 B10 I2 Li2 O12 Si Yb -","- C148 H352 B40 I8 Li8 O48 Si4 Yb4 -","4","1","","Zi, Guofu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Tetramethylcyclopentadienyl vs Cyclopentadienyl Substituents. Synthesis and Structural Characterization of Organolanthanide Compounds Derived from the Versatile Ligand Me2Si(C5Me4H)(C2B10H11)","Organometallics","2001","20","11","2359","","10.1021/om010031i","","","0.71073","MoKα","","0.0663","0.0529","","","0.1105","0.1181","","","","","","0.984","","","","has coordinates","178661","2020-10-21","18:00:00",""
"4077305","12.014","0.004","36.823","0.008","11.614","0.004","90","","90","","90","","5138","3","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H53 I O2 P2 Pt Si -","- C59 H53 I O2 P2 Pt Si -","- C236 H212 I4 O8 P8 Pt4 Si4 -","4","1","","Gallasch, David P.; Tiekink, Edward R. T.; Rendina, Louis M.","A New Methodology for the Preparation of Cationic Organoplatinum(II) Complexes with Hydrogen-Bonding Functionality","Organometallics","2001","20","16","3373","","10.1021/om010127c","","","0.7107","MoKα","","","0.03","","","","0.029","","","","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077307","9.901","0.001","12.701","0.002","15.309","0.002","90","","90","","90","","1925.1","0.4","0","","180","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 N4 Ni -","- C18 H32 N4 Ni -","- C72 H128 N16 Ni4 -","4","1","","Douthwaite, Richard E.; Green, Malcolm L. H.; Silcock, Peter J.; Gomes, Pedro T.","Nickel(II)cis- andtrans-Dimethyl Complexes of Di-N-heterocyclic Carbenes","Organometallics","2001","20","12","2611","","10.1021/om010139y","","","0.71073","MoKα","","","0.055","","","","0.0664","","","","","","1.0313","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077346","15.165","0.0003","17.131","0.0002","20.941","0.0003","90","","90","","90","","5440.3","0.15","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H30 Co N O16 P2 Ru5 -","- C53 H30 Co N O16 P2 Ru5 -","- C212 H120 Co4 N4 O64 P8 Ru20 -","4","1","","Dyson, Paul J.; Hearley, Andrew K.; Johnson, Brian F. G.; Khimyak, Tetyana; McIndoe, J. Scott; Langridge-Smith, Patrick R. R.","Mass Spectrometric Method for the Rapid Characterization of Transition Metal Carbonyl Cluster Reaction Mixtures","Organometallics","2001","20","19","3970","","10.1021/om0103005","","","0.7107","MoKα","","0.0541","0.035","","","0.0601","0.0658","","","","","","1.009","","","","has coordinates,has disorder","178662","2020-10-21","18:00:00",""
"4077417","8.6289","0.0006","13.4215","0.0005","18.5382","0.0009","90","","90","","90","","2147","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-4,5-(1,2-ferrocenediyl)-6-methyl-3,3-diphenyl- [1,3]azaphosphinine-2-carbaldehyde","","- C26 H22 Fe N O P -","- C26 H22 Fe N O P -","- C104 H88 Fe4 N4 O4 P4 -","4","1","","Hwang, Geun-Ho; Ryu, Eun-Sook; Park, Dong-Kyu; Shim, Sang Chul; Cho, Chan Sik; Kim, Tae-Jeong; Jeong, Jong Hwa; Cheong, Minserk","A New Class of Planar-Chiral Ferrocenes: Serendipitous Formation of 1,2-Ferrocenediylazaphosphinines","Organometallics","2001","20","26","5784","","10.1021/om010603z","","","0.71073","MoKα","","0.0463","0.0315","","","0.0791","0.0848","","","","","","1.046","","","","has coordinates,has disorder","178663","2020-10-21","18:00:00",""
"4077422","7.783","0.002","11.904","0.007","15.041","0.004","90","","90","","90","","1393.5","1","220","2","220","2","","","","","","","synthesized by the authors, see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl Ni P -","- C13 H18 Cl Ni P -","- C52 H72 Cl4 Ni4 P4 -","4","1","","Fontaine, Frédéric-Georges; Dubois, Marc-André; Zargarian, Davit","Solid State Structures and Phosphine Exchange Reactions of (1-Me-Indenyl)(PR3)Ni−Cl","Organometallics","2001","20","24","5156","","10.1021/om010608w","","","1.54056","CuKα","","0.0205","0.0193","","0.0498","","0.0493","","","1.03","","","1.043","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077493","12.762","0.014","16.3","0.02","24.71","0.09","90","","90","","90","","5140","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H67 Cl3 N4 O4 P2 Ru -","- C42 H67 Cl3 N4 O4 P2 Ru -","- C168 H268 Cl12 N16 O16 P8 Ru4 -","4","1","","Mosquera, Marta E. G.; Ruiz, Javier; Riera, Víctor; Garcia-Granda, Santiago; Salvadó, Miguel A.","Complexes of Ruthenium(II) with Unsymmetrical Diphosphines and Diphosphinomethanides. A Way to Synthesize Chiral Metallodiphosphines","Organometallics","2000","19","25","5533","","10.1021/om000097y","","","0.71073","MoKα","","0.0856","0.0495","","","0.1288","0.1335","","","","","","1.09","","","","has coordinates","178663","2020-10-21","18:00:00",""
"4077557","11.812","0.003","18.296","0.004","7.486","0.001","90","","90","","90","","1617.8","0.6","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Cl N Zr -","- C16 H22 Cl N Zr -","- C64 H88 Cl4 N4 Zr4 -","4","1","","Armstrong, David R.; Henderson, Kenneth W.; Little, Ian; Jenny, Charles; Kennedy, Alan R.; McKeown, Arlene E.; Mulvey, Robert E.","Zirconocene Ketimides: Synthesis, Structural Characterization, Ethylene Polymerization Activity, and ab Initio Computational Studies","Organometallics","2000","19","21","4369","","10.1021/om000451s","","","0.7107","MoKalpha","","0.0378","0.0242","","0.0342","0.0317","","","","","1.137","1.137","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077565","11.2964","0.0001","11.906","0.0001","31.3608","0.0003","90","","90","","90","","4217.87","0.07","203","2","203","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Iodobis(carbonyl)(catecolborate)bis(triphenylphosphine)osmium(II) Dichloromethane solvate","","- C45 H36 B Cl2 I O4 Os P2 -","- C45 H36 B Cl2 I O4 Os P2 -","- C180 H144 B4 Cl8 I4 O16 Os4 P8 -","4","1","","Rickard, Clifton E. F.; Roper, Warren R.; Williamson, Alex; Wright, L. James","Reactions ofcisandtransBcat, Aryl Osmium Complexes (cat = 1,2-O2C6H4). Bis(Bcat) Complexes of Osmium and Ruthenium and a Structural Comparison ofcisandtransIsomers of Os(Bcat)I(CO)2(PPh3)2","Organometallics","2000","19","21","4344","","10.1021/om0004601","","","0.71073","MoKα","","0.0276","0.0249","","","0.0547","0.056","","","","","","1.015","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077593","10.106","0.004","14.643","0.009","18.88","0.009","90","","90","","90","","2794","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H17 N O9 Ru3 -","- C28 H17 N O9 Ru3 -","- C112 H68 N4 O36 Ru12 -","4","1","","Cabeza, Javier A.; Grepioni, Fabrizia; Moreno, Marta; Riera, Víctor","Reactivity of Diynes with a 1-Azavinylidene-Bridged Triruthenium Carbonyl Cluster. Insertion Reactions of Diynes into Ru−H, Ru−C, and Ru−N Bonds","Organometallics","2000","19","25","5424","","10.1021/om0005506","","","0.71069","MoKα","","0.0428","0.0367","","","0.093","0.0985","","","","","","1.369","","","","has coordinates","178664","2020-10-21","18:00:00",""
"4077613","6.5946","0.0006","13.388","0.001","17.544","0.002","90","","90","","90","","1548.9","0.3","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(bis(TMS)benzyl)potassium","","","- C13 H23 K Si2 -","- C13 H23 K Si2 -","- C52 H92 K4 Si8 -","4","1","","Feil, Florian; Harder, Sjoerd","α,α-Bis(trimethylsilyl)-Substituted Benzyl Complexes of Potassium and Calcium","Organometallics","2000","19","24","5010","","10.1021/om0006209","","","0.71073","MoKα","","0.0566","0.0337","","","0.0696","0.0758","","","","","","1.056","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077641","10.4149","0.0003","16.1127","0.0003","16.8256","0.0005","90","","90","","90","","2823.54","0.13","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cr Mn N O7 -","- C28 H32 Cr Mn N O7 -","- C112 H128 Cr4 Mn4 N4 O28 -","4","1","","Djukic, Jean-Pierre; Maisse-François, Aline; Pfeffer, Michel; Dötz, Karl Heinz; De Cian, André; Fischer, Jean","Organometallic Helices: The Mechanism of Formation of “Metallospiralenes”","Organometallics","2000","19","25","5484","","10.1021/om0006920","","","0.71073","Mo-Kα","","0.054","0.034","","0.045","","0.041","","","1.027","","","0.924","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077663","9.5321","0.0011","12.7061","0.0015","17.966","0.0013","90","","90","","90","","2176","0.4","200","0.2","200","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","iodo-dicarbonyl-(eta$6!-p-cymene)-bis-(mu!2$-pyrazolyl-N,N')- iridium(i)-osmium(ii)","","- C18 H20 I Ir N4 O2 Os -","- C18 H20 I Ir N4 O2 Os -","- C72 H80 I4 Ir4 N16 O8 Os4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Arilla, José M.; Reyes, Josefa; Lahoz, Fernando J.; Elipe, Sergio; Modrego, F. Javier; Oro, Luis A.","Synthesis, Characterization, and Theoretical Studies on Heterobinuclear (p-cymene)Os(μ-pz)2M (M = Ir, Rh; Hpz = Pyrazole) Complexes","Organometallics","2000","19","5","798","","10.1021/om990624h","","","0.71073","MoKα","","0.0465","0.0321","","","0.0471","0.0498","","","","","","1.015","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077668","12.716","0.003","21.471","0.004","22.011","0.004","90","","90","","90","","6010","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 B20 Li O6 Yb -","- C47 H82 B20 Li O6 Yb -","- C188 H328 B80 Li4 O24 Yb4 -","4","1","","Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Carbon versus Silicon Bridges. Synthesis of a New Versatile Ligand and Its Applications in Organolanthanide Chemistry","Organometallics","2000","19","3","334","","10.1021/om990648o","","","0.71073","MoKα","","0.0628","0.0574","","","0.1477","0.1523","","","","","","1.059","","","","has coordinates","178665","2020-10-21","18:00:00",""
"4077707","9.8703","0.0008","14.331","0.0018","17.309","0.002","90","","90","","90","","2448.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H37 B10 O2 Sm -","- C18 H36 B10 O2 Sm -","- C72 H144 B40 O8 Sm4 -","4","1","","Chui, Kwoli; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Synthesis, Structure, and Reactivity of Organolanthanide Carboranyl Compounds and Lanthanacarboranes Derived from a Versatile Ligand, Me2C(C5H5)(C2B10H11)","Organometallics","2000","19","7","1391","","10.1021/om990941o","","","0.71073","MoKα","","0.0709","0.0606","","","0.1475","0.154","","","","","","1.066","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077708","9.853","0.002","14.272","0.003","17.056","0.003","90","","90","","90","","2398.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H37 B10 Er O2 -","- C18 H37 B10 Er O2 -","- C72 H148 B40 Er4 O8 -","4","1","","Chui, Kwoli; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei","Synthesis, Structure, and Reactivity of Organolanthanide Carboranyl Compounds and Lanthanacarboranes Derived from a Versatile Ligand, Me2C(C5H5)(C2B10H11)","Organometallics","2000","19","7","1391","","10.1021/om990941o","","","0.71073","MoKα","","0.0952","0.0787","","","0.2235","0.2427","","","","","","1.17","","","","has coordinates,has disorder","178666","2020-10-21","18:00:00",""
"4077726","7.3337","0.0006","19.1794","0.0012","18.9464","0.0012","90","","90","","90","","2664.9","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H11 N O Pt -","- C18 H11 N O Pt -","- C144 H88 N8 O8 Pt8 -","8","2","","Cave, Gareth W. V.; Fanizzi, Francesco P.; Deeth, Robert J.; Errington, William; Rourke, Jonathan P.","C−H Activation Induced by Water. Monocyclometalated to Dicyclometalated: C∧N∧C Tridentate Platinum Complexes","Organometallics","2000","19","7","1355","","10.1021/om9910423","","","0.71073","MoKα","","0.0562","0.0351","","","0.0735","0.0836","","","","","","1.105","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077739","14.0951","0.0005","16.8149","0.0006","29.3881","0.0011","90","","90","","90","","6965.2","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[PtCl2((S,S)-2a)] (5a)","","","- C73 H66 Cl6 Fe2 O4 P4 Pt2 -","- C73 H66 Cl6 Fe2 O4 P4 Pt2 -","- C292 H264 Cl24 Fe8 O16 P16 Pt8 -","4","1","","Maienza, Francesca; Wörle, Michael; Steffanut, Pascal; Mezzetti, Antonio; Spindler, Felix","Ferrocenyl Diphosphines Containing Stereogenic Phosphorus Atoms. Synthesis and Application in the Rhodium-Catalyzed Asymmetric Hydrogenation","Organometallics","1999","18","6","1041","","10.1021/om980754a","","","0.71073","MoKα","","0.0676","0.0462","","0.1029","0.0947","","","","0.985","1.029","1.029","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077746","11.856","0.006","15.22","0.006","17.399","0.006","90","","90","","90","","3140","2","153","","153","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H46 Eu2 -","- C35 H46 Eu2 -","- C140 H184 Eu8 -","4","1","","Evans, William J.; Johnston, Matthew A.; Greci, Michael A.; Ziller, Joseph W.","Synthesis, Structure, and Reactivity of Unsolvated Triple-Decked Bent Metallocenes of Divalent Europium and Ytterbium","Organometallics","1999","18","8","1460","","10.1021/om980762r","","","0.71073","MoKα","","0.076","0.0526","","0.1665","0.1519","","","","1.255","1.315","1.315","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077753","10.141","0.001","10.96","0.001","31.183","0.004","90","","90","","90","","3465.8","0.6","200","1","200","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H57 O3 P W -","- C34 H57 O3 P W -","- C136 H228 O12 P4 W4 -","4","1","","Scheer, Manfred; Kramkowski, Peter; Schuster, Kay","An Approach to Novel Complexes with a Tungsten−Phosphorus Triple Bond†","Organometallics","1999","18","15","2874","","10.1021/om990019e","","","0.71069","MoKα","","0.0595","0.0504","","0.1259","0.1167","","","","1.107","1.081","1.081","","","","","has coordinates","178666","2020-10-21","18:00:00",""
"4077864","8.8101","0.0001","11.5091","0.0002","28.4709","0.0004","90","","90","","90","","2886.84","0.07","200","","200","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 As Cl2 F6 P2 -","- C26 H27 As Cl2 F6 P2 -","- C104 H108 As4 Cl8 F24 P8 -","4","1","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.0524","0.0289","","0.0412","0.0309","0.0309","","","","","","1.1069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077865","8.277","0.0001","13.4613","0.0002","29.0898","0.0004","90","","90","","90","","3241.16","0.08","200","","200","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 As F6 O P2 -","- C34 H35 As F6 O P2 -","- C136 H140 As4 F24 O4 P8 -","4","1","","Kilah, Nathan L.; Wild, S. Bruce","Phosphine Complexes of an Enantiomerically Pure, Atropisomeric Arsenium Ion","Organometallics","2012","31","7","2658","","10.1021/om200853d","","","0.71073","MoKα","","0.0511","0.0289","","0.0522","0.037","0.0367","","","","","","0.8108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4077891","11.4794","0.0005","12.5636","0.0005","21.2707","0.0009","90","","90","","90","","3067.7","0.2","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","[K{C5H3(SiMe3)2}]","","","- C11 H21 K Si2 -","- C11 H21 K Si2 -","- C88 H168 K8 Si16 -","8","2","","Coles, Martyn P.; Hitchcock, Peter B.; Lappert, Michael F.; Protchenko, Andrey V.","Syntheses and Structures of the Crystalline, Highly Crowded 1,3-Bis(trimethylsilyl)cyclopentadienyls [MCp″3] (M = Y, Er, Yb), [PbCp″2], [{YCp″2(μ-OH)}2], [(ScCp″2)2(μ-η2:η2-C2H4)], [YbCp″2Cl(μ-Cl)K(18-crown-6)], and [{KCp″}∞]","Organometallics","2012","31","7","2682","","10.1021/om2009364","","x-ray","0.71073","MoKα","","0.0424","0.0375","","","0.1105","0.1168","","","","","","0.773","","","","has coordinates,has disorder","187017","2020-10-21","18:00:00",""
"4077912","8.867","0.0001","13.3363","0.0003","34.4243","0.0005","90","","90","","90","","4070.78","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47.5 H40 N6 O1.5 Pt2 -","- C47.5 H40 N6 O1.5 Pt2 -","- C190 H160 N24 O6 Pt8 -","4","1","","Forniés, Juan; Fuertes, Sara; Larraz, Carmen; Martín, Antonio; Sicilia, Violeta; Tsipis, Athanassios C.","Synthesis and Characterization of the Double Salts [Pt(bzq)(CNR)2][Pt(bzq)(CN)2] with Significant Pt···Pt and π···π Interactions. Mechanistic Insights into the Ligand Exchange Process from Joint Experimental and DFT Study","Organometallics","2012","31","7","2729","","10.1021/om201036z","","","0.71073","MoKα","","0.0419","0.0333","","","0.0633","0.0647","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077924","14.635","0.003","18.585","0.003","50.286","0.009","90","","90","","90","","13677","4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H65 O6 P3 Ru3 Se4 -","- C75 H64 O6 P3 Ru3 Se4 -","- C600 H512 O48 P24 Ru24 Se32 -","8","2","","Hossain, Md. Iqbal; Sikder, Md. Delwar H.; Ghosh, Shishir; Kabir, Shariff E.; Hogarth, Graeme; Salassa, Luca","Reactivity of Triruthenium Furyne and Thiophyne Clusters: Multiple Additions of Thiolato and Selenolato Ligands through Oxidative Addition of S‒H and Se‒H Bonds","Organometallics","2012","31","7","2546","","10.1021/om201052u","","","0.71073","MoKα","","0.0741","0.0503","","","0.1023","0.1116","","","","","","1.06","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077929","10.6496","0.0001","17.6512","0.0002","20.4901","0.0002","90","","90","","90","","3851.69","0.07","200","","200","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 B Cl N6 Ni O2 P2 W -","- C30 H52 B Cl N6 Ni O2 P2 W -","- C120 H208 B4 Cl4 N24 Ni4 O8 P8 W4 -","4","1","","Hill, Anthony F.; Sharma, Manab; Willis, Anthony C.","Heterodinuclear Bridging Carbido and Phosphoniocarbyne Complexes","Organometallics","2012","31","7","2538","","10.1021/om201057c","","","0.71073","MoKα","","0.0364","0.0289","","0.0594","0.0566","0.0594","","","","","","0.9895","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4077936","12.0517","0.0003","16.2929","0.0005","23.8126","0.0007","90","","90","","90","","4675.8","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H49 B F15 P -","- C49 H49 B F15 P -","- C196 H196 B4 F60 P4 -","4","1","","Harhausen, Marcel; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Reactions of Modified Intermolecular Frustrated P/B Lewis Pairs with Dihydrogen, Ethene, and Carbon Dioxide","Organometallics","2012","31","7","2801","","10.1021/om201076f","","","1.54178","CuKα","","0.0497","0.0486","","","0.1399","0.1412","","","","","","1.023","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077943","9.072","0.0002","12.085","0.0003","32.693","0.0009","90","","90","","90","","3584.3","0.15","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 Cl2 F6 N2 P Ru2 -","- C37 H39 Cl2 F6 N2 P Ru2 -","- C148 H156 Cl8 F24 N8 P4 Ru8 -","4","1","","Djukic, Jean-Pierre; Sortais, Jean-Baptiste; Barloy, Laurent; Pannetier, Nicolas; Sirlin, Claude; Pfeffer, Michel","Synthesis, Characterization, and Fluxional Behavior of a 34 Electron Homochiral Dimetallic Complex with an Unsupported Hydride Bridge between Two Ru Atoms","Organometallics","2012","31","7","2821","","10.1021/om201093y","","","0.71073","MoKα","","0.0578","0.0378","","","0.0707","0.077","","","","","","1.032","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077951","7.4256","0.0007","11.2727","0.001","29.133","0.003","90","","90","","90","","2438.6","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl Cu N3 O6 S -","- C24 H24 Cl Cu N3 O6 S -","- C96 H96 Cl4 Cu4 N12 O24 S4 -","4","1","","Goswami, Tridib K.; Gadadhar, Sudarshan; Roy, Mithun; Nethaji, Munirathinam; Karande, Anjali A.; Chakravarty, Akhil R.","Ferrocene-Conjugated Copper(II) Complexes ofl-Methionine and Phenanthroline Bases: Synthesis, Structure, and Photocytotoxic Activity","Organometallics","2012","31","8","3010","","10.1021/om201102k","","","0.71073","MoKα","","0.1552","0.0613","","","0.1449","0.1905","","","","","","0.861","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077952","9.6549","0.0007","13.804","0.001","28.1935","0.0019","90","","90","","90","","3757.5","0.5","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H43 I N O4 P Pd -","- C40 H43 I N O4 P Pd -","- C160 H172 I4 N4 O16 P4 Pd4 -","4","1","","Xu, Chang; Jun Hao Kennard, Gan; Hennersdorf, Felix; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Chiral Phosphapalladacycles as Efficient Catalysts for the Asymmetric Hydrophosphination of Substituted Methylidenemalonate Esters: Direct Access to Functionalized Tertiary Chiral Phosphines","Organometallics","2012","31","8","3022","","10.1021/om201115n","","","0.71073","MoKα","","0.1074","0.0557","","","0.112","0.1495","","","","","","1.006","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4077983","6.7549","0.0001","9.9824","0.0001","17.0218","0.0002","90","","90","","90","","1147.78","0.02","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 Mn2 O7 S2 -","- C7 Mn2 O7 S2 -","- C28 Mn8 O28 S8 -","4","1","","Farrugia, Louis J.; Evans, Cameron; Senn, Hans Martin; Hänninen, Mikko M.; Sillanpää, Reijo","QTAIM View of Metal‒Metal Bonding in Di- and Trinuclear Disulfido Carbonyl Clusters","Organometallics","2012","31","7","2559","","10.1021/om2011744","","x-ray","0.71073","MoKα","","0.0115","0.0106","","","","0.0112","","","","","","1.47","","","","has coordinates","178668","2020-10-21","18:00:00",""
"4078037","4.9018","0.0003","7.7798","0.0005","21.9948","0.0016","90","","90","","90","","838.77","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 -","- C11 H10 O2 -","- C44 H40 O8 -","4","1","","Barbasiewicz, Michał; Grudzień, Krzysztof; Malinska, Maura","A Missing Relative: A Hoveyda‒Grubbs Metathesis Catalyst Bearing a Peri-Substituted Naphthalene Framework","Organometallics","2012","31","8","3171","","10.1021/om300052b","","","0.71073","MoKα","","0.0365","0.0293","","","0.069","0.0721","","","","","","1.129","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078055","8.5322","0.0001","13.8453","0.0004","20.3891","0.0005","90","","90","","90","","2408.58","0.1","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl F6 Ir N3 P -","- C21 H28 Cl F6 Ir N3 P -","- C84 H112 Cl4 F24 Ir4 N12 P4 -","4","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Bifunctional Mechanism with Unconventional Intermediates for the Hydrogenation of Ketones Catalyzed by an Iridium(III) Complex Containing an N-Heterocyclic Carbene with a Primary Amine Donor","Organometallics","2012","31","6","2152","","10.1021/om300071v","","","0.71073","MoKα","","0.039","0.0322","","","0.0656","0.068","","","","","","1.123","","","","has coordinates,has disorder","178669","2020-10-21","18:00:00",""
"4078121","8.7491","0.0007","11.0052","0.0009","18.6504","0.0015","90","","90","","90","","1795.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 B10 -","- C16 H20 B10 -","- C64 H80 B40 -","4","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.1002","0.0555","","","0.1093","0.1287","","","","","","0.921","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078126","7.066","0.0015","8.4442","0.0017","22.582","0.005","90","","90","","90","","1347.4","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 B10 -","- C9 H16 B10 -","- C36 H64 B40 -","4","1","","Wang, Sunewang Rixin; Xie, Zuowei","Reaction of Carboryne with Alkylbenzenes","Organometallics","2012","31","8","3316","","10.1021/om300129t","","","0.71073","MoKα","","0.0835","0.0519","","","0.1287","0.1518","","","","","","1.09","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078142","6.5418","0.0006","10.4418","0.0009","23.02","0.002","90","","90","","90","","1572.5","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Cl N O2 Os -","- C15 H20 Cl N O2 Os -","- C60 H80 Cl4 N4 O8 Os4 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando","Half-Sandwich Complexes of Osmium(II) withl-α-Amino Carboxylate Ligands as Asymmetric Transfer Hydrogenation Catalysts. On the Origin of the Enantioselectivity","Organometallics","2012","31","8","3333","","10.1021/om3001394","","","0.71073","MoKα","","0.0695","0.0458","","","0.0738","0.0788","","","","","","0.862","","","","has coordinates,has disorder","178670","2020-10-21","18:00:00",""
"4078143","6.196","0.0005","14.6441","0.0011","17.7441","0.0014","90","","90","","90","","1610","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl N O2 Os -","- C16 H24 Cl N O2 Os -","- C64 H96 Cl4 N4 O8 Os4 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando","Half-Sandwich Complexes of Osmium(II) withl-α-Amino Carboxylate Ligands as Asymmetric Transfer Hydrogenation Catalysts. On the Origin of the Enantioselectivity","Organometallics","2012","31","8","3333","","10.1021/om3001394","","","0.71073","MoKα","","0.0325","0.0297","","","0.0549","0.0557","","","","","","1.001","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078144","15.016","0.016","19.85","0.02","20.5","0.02","90","","90","","90","","6110","11","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H75 B3 F12 N3 O7.5 Os3 -","- C48 H66 B3 F12 N3 O7.5 Os3 -","- C192 H264 B12 F48 N12 O30 Os12 -","4","1","","Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando","Half-Sandwich Complexes of Osmium(II) withl-α-Amino Carboxylate Ligands as Asymmetric Transfer Hydrogenation Catalysts. On the Origin of the Enantioselectivity","Organometallics","2012","31","8","3333","","10.1021/om3001394","","","0.71073","MoKα","","0.1942","0.0651","","","0.1153","0.131","","","","","","0.807","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4078169","9.664","0.002","16.871","0.005","21.112","0.008","90","","90","","90","","3442.1","1.8","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H42 Fe I N P2 -","- C39 H42 Fe I N P2 -","- C156 H168 Fe4 I4 N4 P8 -","4","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Ike, Hayato","16- and 17-Electron Intermediates in the MeCN/RNC Exchange in Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2012","31","8","3395","","10.1021/om3001789","","x-ray","0.71073","MoKα","","0.1056","0.0704","","","0.164","0.1846","","","","","","1.074","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078172","9.828","0.003","16.854","0.003","20.244","0.005","90","","90","","90","","3353.2","1.4","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Fe I N P2 -","- C37 H40 Fe I N P2 -","- C148 H160 Fe4 I4 N4 P8 -","4","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Ike, Hayato","16- and 17-Electron Intermediates in the MeCN/RNC Exchange in Chiral-at-Metal [CpFe(Prophos)NCMe]X (X = I, PF6)","Organometallics","2012","31","8","3395","","10.1021/om3001789","","x-ray","0.71073","MoKα","","0.0519","0.0397","","","0.0822","0.0864","","","","","","1.064","","","","has coordinates","178670","2020-10-21","18:00:00",""
"4078188","14.1476","0.0005","24.9498","0.0009","7.5796","0.0003","90","","90","","90","","2675.45","0.17","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Cl2 N3 P Rh -","- C25 H39 Cl2 N3 P Rh -","- C100 H156 Cl8 N12 P4 Rh4 -","4","1","","Feller, Moran; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-Ari, Eyal; Milstein, David","N‒H Activation by Rh(I) via Metal‒Ligand Cooperation","Organometallics","2012","31","11","4083","4101","10.1021/om300248r","","","0.71073","MoKα","","0.0429","0.0377","","","0.0858","0.0881","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4078255","11.827","0.003","12.535","0.003","14.506","0.003","90","","90","","90","","2150.5","0.9","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compopund 4d","","","- C15 H35 Cl Ir P3 -","- C15 H35 Cl Ir P3 -","- C60 H140 Cl4 Ir4 P12 -","4","1","","Merola, Joseph S.; Husebo, Trang Le; Matthews, Kelly E.","Aqueous Organometallic Chemistry ofmer-Ir(H)2(PMe3)3X Complexes","Organometallics","2012","31","10","3920","","10.1021/om300140f","","","0.71073","MoKα","","0.0364","0.0292","","","0.0647","0.0674","","","","","","1.039","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078267","10.9905","0.0008","14.5602","0.0011","18.7056","0.0015","90","","90","","90","","2993.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 Cl Co N4 -","- C32 H32 Cl Co N4 -","- C128 H128 Cl4 Co4 N16 -","4","1","","Zhu, Di; Korobkov, Ilia; Budzelaar, Peter H. M.","Radical Mechanisms in the Reaction of Organic Halides with Diiminepyridine Cobalt Complexes","Organometallics","2012","31","10","3958","","10.1021/om300182c","","x-ray","0.71073","MoKα","","0.0784","0.0523","","","0.13","0.1444","","","","","","0.923","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078270","12.9841","0.0008","16.2444","0.001","18.4949","0.0011","90","","90","","90","","3900.9","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H53 Co I2 N3 -","- C37 H53 Co I2 N3 -","- C148 H212 Co4 I8 N12 -","4","1","","Zhu, Di; Korobkov, Ilia; Budzelaar, Peter H. M.","Radical Mechanisms in the Reaction of Organic Halides with Diiminepyridine Cobalt Complexes","Organometallics","2012","31","10","3958","","10.1021/om300182c","","","0.71073","MoKα","","0.0445","0.0344","","","0.0914","0.0979","","","","","","1.015","","","","has coordinates,has disorder","178671","2020-10-21","18:00:00",""
"4078276","7.7979","0.0013","12.786","0.003","16.615","0.003","90","","90","","90","","1656.6","0.6","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 B N6 O2 Pt -","- C13 H17 B N6 O2 Pt -","- C52 H68 B4 N24 O8 Pt4 -","4","1","","Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Schmidt, Jürgen; Steinborn, Dirk","Synthesis, Characterization, and Reactivity of Diacetylplatinum(II) and -platinum(IV) Complexes Bearing κ2- and κ3-Coordinated Scorpionate Ligands","Organometallics","2012","31","9","3700","","10.1021/om3001907","","","0.71073","MoKα","","0.0261","0.0242","","","0.0589","0.0601","","","","","","1.048","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078292","12.9833","0.0002","18.9236","0.0003","22.7786","0.0002","90","","90","","90","","5596.49","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 B Fe2 P -","- C31 H40 B Fe2 P -","- C248 H320 B8 Fe16 P8 -","8","2","","Barreiro, Elena M.; Broggini, Diego F. D.; Adrio, Luis A.; White, Andrew J. P.; Schwenk, Rino; Togni, Antonio; Hii, King Kuok (Mimi)","Gold(I) Complexes of Conformationally Constricted Chiral Ferrocenyl Phosphines","Organometallics","2012","31","9","3745","","10.1021/om300222k","","","0.71073","MoKα","","0.0632","0.0401","","","0.0698","0.0779","","","","","","1.087","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078294","11.18245","0.00008","12.26925","0.00008","17.17066","0.00011","90","","90","","90","","2355.82","0.03","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Au Cl Fe O P -","- C25 H25 Au Cl Fe O P -","- C100 H100 Au4 Cl4 Fe4 O4 P4 -","4","1","","Barreiro, Elena M.; Broggini, Diego F. D.; Adrio, Luis A.; White, Andrew J. P.; Schwenk, Rino; Togni, Antonio; Hii, King Kuok (Mimi)","Gold(I) Complexes of Conformationally Constricted Chiral Ferrocenyl Phosphines","Organometallics","2012","31","9","3745","","10.1021/om300222k","","","1.54184","CuKα","","0.0199","0.0183","","","0.0427","0.0433","","","","","","1.035","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078295","7.21077","0.00017","18.2833","0.0004","20.809","0.0005","90","","90","","90","","2743.39","0.11","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 Au Cl Fe2 P -","- C31 H37 Au Cl Fe2 P -","- C124 H148 Au4 Cl4 Fe8 P4 -","4","1","","Barreiro, Elena M.; Broggini, Diego F. D.; Adrio, Luis A.; White, Andrew J. P.; Schwenk, Rino; Togni, Antonio; Hii, King Kuok (Mimi)","Gold(I) Complexes of Conformationally Constricted Chiral Ferrocenyl Phosphines","Organometallics","2012","31","9","3745","","10.1021/om300222k","","","0.71073","MoKα","","0.0285","0.0231","","","0.0326","0.0332","","","","","","0.993","","","","has coordinates","178671","2020-10-21","18:00:00",""
"4078353","12.97","0.004","13.503","0.002","14.567","0.005","90","","90","","90","","2551.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H38 O8 V2 -","- C20 H38 O8 V2 -","- C80 H152 O32 V8 -","4","1","","Lütjens, Henning; Wahl, Günter; Möller, Frank; Knochel, Paul; Sundermeyer, Jörg","New ChiralC3-Symmetric Triols as Ligands for Vanadium and Titanium Complexes†","Organometallics","1997","16","26","5869","","10.1021/om970523o","","","0.7093","MoKα","","0.0948","0.0448","","0.1129","0.0862","","","","1.155","1.052","1.052","","","","","has coordinates","178672","2020-10-21","18:00:00",""
"4078403","14.1827","0.0007","15.5713","0.0008","19.2238","0.0009","90","","90","","90","","4245.4","0.4","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 N4 Nb2 O -","- C52 H50 N4 Nb2 O -","- C208 H200 N16 Nb8 O4 -","4","1","","Tayebani, Maryam; Feghali, Khalil; Gambarotta, Sandro; Yap, Glenn","Molecular Rearrangements of a Low-Valent Niobium Amide: Ligand C−H Bond Oxidative Addition and Reductive Elimination","Organometallics","1998","17","19","4282","","10.1021/om980302y","","","0.71073","MoKα","","0.0219","0.0211","","0.0572","0.056","","","","1.008","1.001","1.001","","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078416","11.351","0.0005","11.7633","0.0004","13.1256","0.0005","90","","90","","90","","1752.6","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","compound 5b","","","- C22 H25 P -","- C22 H25 P -","- C88 H100 P4 -","4","1","","Lichtenberg, Crispin; Hillesheim, Nina S.; Elfferding, Michael; Oelkers, Benjamin; Sundermeyer, Jörg","New Lithium Phosphonium Diylides: A Methylene and a Cyclopentadienyl Moiety as Ylidic Coordination Sites","Organometallics","2012","31","11","4259","","10.1021/om201182y","","","0.71069","MoKα","","0.0385","0.0312","","","0.0691","0.0707","","","","","","0.928","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078441","9.8793","0.0003","12.7041","0.0004","12.8138","0.0004","90","","90","","90","","1608.23","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","SSR26-1596 (S,S~Ox~,R~Fc~)-26","(S,S~Ox~,S~Fc~)-2-[4,5-Dihydro-4-(1-methylethyl)oxazol-2-yl)-1- [1-(hydroxy)ethyl]-ferrocene, (S,S~Ox~,S~Fc~)-26","","- C18 H23 Fe N O2 -","- C18 H23 Fe N O2 -","- C72 H92 Fe4 N4 O8 -","4","1","","Zirakzadeh, Afrooz; Schuecker, Raffael; Gorgas, Nikolaus; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Ruthenium Complexes of Phosphino-Substituted Ferrocenyloxazolines in the Asymmetric Hydrogenation and Transfer Hydrogenation of Ketones: A Comparison","Organometallics","2012","31","11","4241","","10.1021/om300188g","","","0.71073","MoKα","","0.0311","0.0266","","","0.0655","0.0675","","","","","","0.998","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078443","10.3672","0.0004","15.3829","0.0006","29.4389","0.0012","90","","90","","90","","4694.8","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","RR44-1591 (R,R~Fc~)-44.C7H8 (toluene solv squeezed)","Dichloro[(R,R~Fc~)-2-[4,5-dihydro-4,4-dimethyloxazol-2-yl-κN)-1- [1-(diphenylphosphino)ethyl-κP]-ferrocene]triphenylphosphine ruthenium toluene solvate","","- C54 H53 Cl2 Fe N O P2 Ru -","- C47 H45 Cl2 Fe N O P2 Ru -","- C188 H180 Cl8 Fe4 N4 O4 P8 Ru4 -","4","1","","Zirakzadeh, Afrooz; Schuecker, Raffael; Gorgas, Nikolaus; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Ruthenium Complexes of Phosphino-Substituted Ferrocenyloxazolines in the Asymmetric Hydrogenation and Transfer Hydrogenation of Ketones: A Comparison","Organometallics","2012","31","11","4241","","10.1021/om300188g","","","0.71073","MoKα","","0.0242","0.0226","","","0.0535","0.0541","","","","","","1.107","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078445","11.531","0.002","21.358","0.004","22","0.004","90","","90","","90","","5418.1","1.7","299","2","299","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","SS51-1590 (S~Ox~,S~Fc~)-23.C7H8","Dichloro(acetonitrile)[(S,S~Fc~)-2-[4,5-dihydro-4-(1-methylethyl)oxazol -2-yl-κN)-1-[bis(3,5-dimethylphenyl)-phosphino-methyl-κP]-ferrocene] triphenylphosphine ruthenium toluene solvate","","- C60 H64 Cl2 Fe N2 O P2 Ru -","- C60 H64 Cl2 Fe N2 O P2 Ru -","- C240 H256 Cl8 Fe4 N8 O4 P8 Ru4 -","4","1","","Zirakzadeh, Afrooz; Schuecker, Raffael; Gorgas, Nikolaus; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Ruthenium Complexes of Phosphino-Substituted Ferrocenyloxazolines in the Asymmetric Hydrogenation and Transfer Hydrogenation of Ketones: A Comparison","Organometallics","2012","31","11","4241","","10.1021/om300188g","","","0.71073","MoKα","","0.0815","0.0476","","","0.0805","0.091","","","","","","1.043","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078454","12.8382","0.0016","18.667","0.002","27.09","0.004","90","","90","","90","","6492.1","1.4","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl F3 O4 Ru S -","- C19 H24 Cl F3 O4 Ru S -","- C228 H288 Cl12 F36 O48 Ru12 S12 -","12","3","","Dubarle-Offner, Julien; Axet, M. Rosa; Chamoreau, Lise Marie; Amouri, Hani; Cooksy, Andrew L.","Enantiomerically Pure, Planar Chiral Cp*Ru Complexes: Synthesis, Molecular Structures, DFT and Coordination Properties","Organometallics","2012","31","12","4429","","10.1021/om300210c","","","0.71073","MoKα","","0.102","0.0456","","","0.0776","0.09","","","","","","0.978","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078455","12.8789","0.0003","18.7454","0.0004","27.1349","0.0005","90","","90","","90","","6550.9","0.2","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl F3 O4 Ru S -","- C19 H24 Cl F3 O4 Ru S -","- C228 H288 Cl12 F36 O48 Ru12 S12 -","12","3","","Dubarle-Offner, Julien; Axet, M. Rosa; Chamoreau, Lise Marie; Amouri, Hani; Cooksy, Andrew L.","Enantiomerically Pure, Planar Chiral Cp*Ru Complexes: Synthesis, Molecular Structures, DFT and Coordination Properties","Organometallics","2012","31","12","4429","","10.1021/om300210c","","","0.71073","MoKα","","0.0446","0.0337","","","0.078","0.0827","","","","","","1.039","","","","has coordinates","178673","2020-10-21","18:00:00",""
"4078523","11.6407","0.0002","14.0195","0.0003","24.0667","0.0004","90","","90","","90","","3927.61","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 F12 Fe4 N2 P2 -","- C40 H40 F12 Fe4 N2 P2 -","- C160 H160 F48 Fe16 N8 P8 -","4","1","","Okazaki, Masaaki; Suto, Kosei; Kudo, Naotsugu; Takano, Masato; Ozawa, Fumiyuki","Synthesis and Structure of Cubane-Type Tetrairon Clusters Possessing μ3-Isonitrile Ligands. Reductive Coupling of Two Isonitriles on Redox-Responsive Tetrairon Reaction Sites","Organometallics","2012","31","11","4110","","10.1021/om3002944","","x-ray","0.71075","MoKα","","0.0345","0.0319","","","0.0864","0.0879","","","","","","0.993","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078526","9.1173","0.0015","25.346","0.004","32.221","0.006","90","","90","","90","","7446","2","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H88 Cl4 Fe2 N8 O -","- C80 H65 Cl4 Fe2 N8 O -","- C320 H260 Cl16 Fe8 N32 O4 -","4","1","","Hashimoto, Takayoshi; Urban, Slawomir; Hoshino, Ryoko; Ohki, Yasuhiro; Tatsumi, Kazuyuki; Glorius, Frank","Synthesis of Bis(N-heterocyclic carbene) Complexes of Iron(II) and Their Application in Hydrosilylation and Transfer Hydrogenation","Organometallics","2012","31","12","4474","","10.1021/om300298q","","","0.71075","MoKα","","","0.0605","","","","0.1238","","","","","","1.007","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078568","10.661","0.0008","13.0231","0.001","21.6671","0.0016","90","","90","","90","","3008.2","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Cl2 F2 Ir N P S -","- C33 H29 Cl2 F2 Ir N P S -","- C132 H116 Cl8 F8 Ir4 N4 P4 S4 -","4","1","","Lin, Cheng-Huei; Chiu, Yuan-Chieh; Chi, Yun; Tao, Yu-Tai; Liao, Liang-Sheng; Tseng, Meu-Rurng; Lee, Gene-Hsiang","Mechanistic Investigation of Improved Syntheses of Iridium(III)-Based OLED Phosphors","Organometallics","2012","31","11","4349","","10.1021/om300325y","","","0.71073","MoKα","","0.0778","0.0671","","","0.1508","0.158","","","","","","1.043","","","","has coordinates","178674","2020-10-21","18:00:00",""
"4078579","10.7004","0.0003","16.5866","0.0004","17.7255","0.0004","90","","90","","90","","3145.98","0.14","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Au Cl4 N2 -","- C29 H41 Au Cl4 N2 -","- C116 H164 Au4 Cl16 N8 -","4","1","","Dunsford, Jay J.; Cavell, Kingsley J.; Kariuki, Benson M.","Gold(I) Complexes Bearing Sterically Imposing, Saturated Six- and Seven-Membered Expanded Ring N-Heterocyclic Carbene Ligands","Organometallics","2012","31","11","4118","","10.1021/om300351s","","","0.71073","MoKα","","0.0593","0.0463","","","0.0985","0.1068","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4078582","9.1677","0.0006","15.6062","0.0009","31.6509","0.0017","90","","90","","90","","4528.4","0.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H57 N7 O8 Pd2 -","- C39 H57 N7 O8 Pd2 -","- C156 H228 N28 O32 Pd8 -","4","1","","Guo, Shuai; Huynh, Han Vinh","Dipalladium Complexes with Triazolidin-Diylidene Bridges and Their Catalytic Activities","Organometallics","2012","31","12","4565","","10.1021/om3003625","","","0.71073","MoKα","","0.1135","0.0909","","","0.2202","0.2352","","","","","","1.108","","","","has coordinates,has disorder","178674","2020-10-21","18:00:00",""
"4078600","14.3026","0.0012","19.1586","0.0017","21.3983","0.0018","90","","90","","90","","5863.5","0.9","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C72 H60 Ge5 -","- C72 H60 Ge5 -","- C288 H240 Ge20 -","4","1","","Samanamu, Christian R.; Amadoruge, Monika L.; Schrick, Aaron C.; Chen, Chao; Golen, James A.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Synthetic, Structural, and Physical Investigations of the Large Linear and Branched Oligogermanes Ph3GeGePh2GePh2GePh2H, Ge5Ph12, and (Ph3Ge)4Ge","Organometallics","2012","31","11","4374","","10.1021/om300385n","","","0.71073","MoKα","","0.035","0.032","","","0.0847","0.0861","","","","","","1.06","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078609","8.1706","0.0005","12.2862","0.0007","23.6896","0.0012","90","","90","","90","","2378.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 N O3 S -","- C25 H33 N O3 S -","- C100 H132 N4 O12 S4 -","4","1","","Lu, Bei-Li; Wei, Yin; Shi, Min","Rhodium(I)-Catalyzed Pauson‒Khand-type [3 + 2 + 1] Cycloaddition Reaction of Ene-Vinylidenecyclopropanes and CO: A Highly Regio- and Stereoselective Synthetic Approach for the Preparation of Aza- and Oxa-Bicyclic Compounds","Organometallics","2012","31","12","4601","","10.1021/om3004288","","","0.71073","MoKα","","0.0558","0.0489","","","0.122","0.1265","","","","","","1.039","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078620","12.6508","0.0009","17.935","0.0012","22.2951","0.0015","90","","90","","90","","5058.6","0.6","203","2","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H70 Cl2 Li N4 O4 Sc -","- C52 H70 Cl2 Li N4 O4 Sc -","- C208 H280 Cl8 Li4 N16 O16 Sc4 -","4","1","","Zhang, Yanyu; Yao, Wei; Li, He; Mu, Ying","Rare-Earth-Metal Complexes Supported by New Chiral Tetra-Azane Chelating Ligands: Synthesis, Characterization, and Catalytic Properties for Intramolecular Asymmetric Hydroamination","Organometallics","2012","31","13","4670","","10.1021/om201286u","","","0.71073","MoKα","","0.0548","0.0466","","","0.1178","0.1226","","","","","","1.119","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078621","12.3497","0.0016","18.816","0.003","22.036","0.003","90","","90","","90","","5120.5","1.3","203","2","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H70 Cl2 Li N4 O4 Y -","- C52 H70 Cl2 Li N4 O4 Y -","- C208 H280 Cl8 Li4 N16 O16 Y4 -","4","1","","Zhang, Yanyu; Yao, Wei; Li, He; Mu, Ying","Rare-Earth-Metal Complexes Supported by New Chiral Tetra-Azane Chelating Ligands: Synthesis, Characterization, and Catalytic Properties for Intramolecular Asymmetric Hydroamination","Organometallics","2012","31","13","4670","","10.1021/om201286u","","","0.71073","MoKα","","0.1862","0.0741","","","0.1063","0.1346","","","","","","0.945","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078622","13.2799","0.0009","13.9219","0.0009","27.5159","0.0018","90","","90","","90","","5087.2","0.6","203","2","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H70 Cl2 Li N4 O2 Y -","- C52 H70 Cl2 Li N4 O2 Y -","- C208 H280 Cl8 Li4 N16 O8 Y4 -","4","1","","Zhang, Yanyu; Yao, Wei; Li, He; Mu, Ying","Rare-Earth-Metal Complexes Supported by New Chiral Tetra-Azane Chelating Ligands: Synthesis, Characterization, and Catalytic Properties for Intramolecular Asymmetric Hydroamination","Organometallics","2012","31","13","4670","","10.1021/om201286u","","","0.71073","MoKα","","0.115","0.0997","","","0.263","0.2778","","","","","","1.064","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078625","12.0674","0.0004","12.7353","0.0004","19.5111","0.0006","90","","90","","90","","2998.5","0.17","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 N3 O P2 Rh S -","- C36 H28 N3 O P2 Rh S -","- C144 H112 N12 O4 P8 Rh4 S4 -","4","1","","Suess, Daniel L. M.; Peters, Jonas C.","Late-Metal Diphosphinosulfinyl S(O)P2Pincer-type Complexes","Organometallics","2012","31","15","5213","","10.1021/om3001229","","","0.71073","MoKα","","0.0329","0.0267","","","0.0527","0.0551","","","","","","1.031","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078654","4.66648","0.00007","18.494","0.0002","20.8415","0.0003","90","","90","","90","","1798.66","0.04","233","2","233","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H10 F9 N O -","- C20 H10 F9 N O -","- C80 H40 F36 N4 O4 -","4","1","","Liu, Cham-Chuen; So, Loi-Chi; Lo, Jerry C. Y.; Chan, Michael C. W.; Kaneyoshi, Hiromu; Makio, Haruyuki","Highly Fluorinated (σ-Aryl)-Chelating Titanium(IV) Post-Metallocene: Characterization and Scalar [C‒H···F‒C] Coupling","Organometallics","2012","31","15","5274","","10.1021/om3002334","","","1.5418","CuKα","","0.0318","0.0304","","","0.0794","0.0804","","","","","","1.033","","","","has coordinates,has disorder","178675","2020-10-21","18:00:00",""
"4078664","6.2309","0.0011","15.816","0.003","19.111","0.003","90","","90","","90","","1883.3","0.6","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 F N2 O3 S Si -","- C16 H25 F N2 O3 S Si -","- C64 H100 F4 N8 O12 S4 Si4 -","4","1","","Nikolin, Alexei A.; Kramarova, Evgeniya P.; Shipov, Aleksander G.; Baukov, Yuri I.; Negrebetsky, Vadim V.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Bowden, Allen; Bylikin, Sergey Yu.; Bassindale, Alan R.; Taylor, Peter G.","Synthesis, Structures, and Stereodynamic Behavior of Novel Pentacoordinate Fluorosilanes: Fluorosilyl Derivatives of Proline","Organometallics","2012","31","14","4988","","10.1021/om3002697","","","0.71073","MoKα","","0.0923","0.0543","","","0.1087","0.1164","","","","","","0.953","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078665","6.2703","0.0004","16.3805","0.001","17.9546","0.0011","90","","90","","90","","1844.1","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Cl F N2 O3 S Si -","- C15 H22 Cl F N2 O3 S Si -","- C60 H88 Cl4 F4 N8 O12 S4 Si4 -","4","1","","Nikolin, Alexei A.; Kramarova, Evgeniya P.; Shipov, Aleksander G.; Baukov, Yuri I.; Negrebetsky, Vadim V.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Bowden, Allen; Bylikin, Sergey Yu.; Bassindale, Alan R.; Taylor, Peter G.","Synthesis, Structures, and Stereodynamic Behavior of Novel Pentacoordinate Fluorosilanes: Fluorosilyl Derivatives of Proline","Organometallics","2012","31","14","4988","","10.1021/om3002697","","","0.71073","MoKα","","0.031","0.0278","","","0.0606","0.0618","","","","","","1.01","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078666","6.299","0.002","16.398","0.006","18.228","0.007","90","","90","","90","","1882.8","1.2","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Br F N2 O3 S Si -","- C15 H22 Br F N2 O3 S Si -","- C60 H88 Br4 F4 N8 O12 S4 Si4 -","4","1","","Nikolin, Alexei A.; Kramarova, Evgeniya P.; Shipov, Aleksander G.; Baukov, Yuri I.; Negrebetsky, Vadim V.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Bowden, Allen; Bylikin, Sergey Yu.; Bassindale, Alan R.; Taylor, Peter G.","Synthesis, Structures, and Stereodynamic Behavior of Novel Pentacoordinate Fluorosilanes: Fluorosilyl Derivatives of Proline","Organometallics","2012","31","14","4988","","10.1021/om3002697","","","0.71073","MoKα","","0.1757","0.0737","","","0.1592","0.1894","","","","","","0.813","","","","has coordinates","178675","2020-10-21","18:00:00",""
"4078708","7.941","0.004","21.451","0.011","24.46","0.012","90","","90","","90","","4167","4","153","","153","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cl F3 N3 Ni O6 Rh S4 -","- C32 H52 Cl F3 N3 Ni O6 Rh S4 -","- C128 H208 Cl4 F12 N12 Ni4 O24 Rh4 S16 -","4","1","","Kure, Bunsho; Taniguchi, Ayami; Nakajima, Takayuki; Tanase, Tomoaki","Hydride-Bridged NiRh Complexes with Tunable N3S2Dithiolato Ligands and Their Utilization as Catalysts for Hydrogenation of Aldehydes and CO2in Aqueous Media","Organometallics","2012","31","13","4791","","10.1021/om300350u","","","0.7107","MoKα","","","0.0701","","","","0.2016","","","","","","1.069","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078715","5.7821","0.0002","16.7659","0.0007","25.3783","0.001","90","","90","","90","","2460.23","0.16","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 Fe O8 -","- C26 H34 Fe O8 -","- C104 H136 Fe4 O32 -","4","1","","Herrmann, Christoph; Salas, Paloma F.; Cawthray, Jacqueline F.; de Kock, Carmen; Patrick, Brian O.; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","1,1′-Disubstituted Ferrocenyl Carbohydrate Chloroquine Conjugates as Potential Antimalarials","Organometallics","2012","31","16","5736","","10.1021/om300354x","","","0.71073","MoKα","","0.0413","0.0317","","","0.0634","0.0669","","","","","","1.001","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078721","14.029","0.002","20.6924","0.0017","24.0829","0.0019","90","","90","","90","","6991.1","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H69 N5 P2 Ru2 -","- C87 H69 N5 P2 Ru2 -","- C348 H276 N20 P8 Ru8 -","4","1","","Bruce, Michael I.; Skelton, Brian W.; Zaitseva, Natasha N.","A Ruthenated [3]Dendralene from Phenylethyne and an η3-Butadienyl‒Ruthenium Complex","Organometallics","2012","31","14","5034","","10.1021/om300366g","","","0.71073","MoKα","","0.0756","0.0439","","","0.0535","0.0574","","","","","","0.789","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078752","9.5834","0.0009","15.1988","0.0014","16.8616","0.0015","90","","90","","90","","2456","0.4","90","0.1","90","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 F6 Fe N O4 -","- C27 H23 F6 Fe N O4 -","- C108 H92 F24 Fe4 N4 O16 -","4","1","","Herrmann, Christoph; Salas, Paloma F.; Patrick, Brian O.; Kock, Carmen de; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","Modular Synthesis of 1,2- and 1,1′-Disubstituted Ferrocenyl Carbohydrate Chloroquine and Mefloquine Conjugates as Potential Antimalarial Agents","Organometallics","2012","31","16","5748","","10.1021/om300392q","","","0.71073","MoKα","","0.0329","0.027","","","0.0615","0.0638","","","","","","1.018","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078753","7.8812","0.0007","10.6659","0.001","23.064","0.002","90","","90","","90","","1938.8","0.3","90","0.1","90","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H13 F6 Fe N O2 -","- C22 H13 F6 Fe N O2 -","- C88 H52 F24 Fe4 N4 O8 -","4","1","","Herrmann, Christoph; Salas, Paloma F.; Patrick, Brian O.; Kock, Carmen de; Smith, Peter J.; Adam, Michael J.; Orvig, Chris","Modular Synthesis of 1,2- and 1,1′-Disubstituted Ferrocenyl Carbohydrate Chloroquine and Mefloquine Conjugates as Potential Antimalarial Agents","Organometallics","2012","31","16","5748","","10.1021/om300392q","","","0.71073","MoKα","","0.0356","0.0294","","","0.0697","0.0724","","","","","","1.025","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078768","15.523","0.003","19.47","0.004","22.098","0.005","90","","90","","90","","6679","2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H51 B2 Cl O4 Os P2 -","- C30 H51 B2 Cl O4 Os P2 -","- C240 H408 B16 Cl8 O32 Os8 P16 -","8","2","","Esteruelas, Miguel A.; Fernández, Israel; López, Ana M.; Mora, Malka; Oñate, Enrique","Preparation, Structure, Bonding, and Preliminary Reactivity of a Six-Coordinate d4Osmium‒Boryl Complex","Organometallics","2012","31","13","4646","","10.1021/om300407d","","","0.71073","MoKα","","0.0527","0.0451","","","0.0735","0.0756","","","","","","1.146","","","","has coordinates","178676","2020-10-21","18:00:00",""
"4078769","11.2704","0.0006","15.3793","0.0009","17.3091","0.001","90","","90","","90","","3000.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 B Cl O4 Os P2 -","- C26 H46 B Cl O4 Os P2 -","- C104 H184 B4 Cl4 O16 Os4 P8 -","4","1","","Esteruelas, Miguel A.; Fernández, Israel; López, Ana M.; Mora, Malka; Oñate, Enrique","Preparation, Structure, Bonding, and Preliminary Reactivity of a Six-Coordinate d4Osmium‒Boryl Complex","Organometallics","2012","31","13","4646","","10.1021/om300407d","","","0.71073","MoKα","","0.039","0.0288","","","0.0517","0.0541","","","","","","1.056","","","","has coordinates,has disorder","178676","2020-10-21","18:00:00",""
"4078800","10.4698","0.0007","17.0104","0.0009","18.3434","0.0009","90","","90","","90","","3266.9","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H54 Ir Si2 Ta -","- C28 H54 Ir Si2 Ta -","- C112 H216 Ir4 Si8 Ta4 -","4","1","","Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu","Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds","Organometallics","2012","31","13","4658","","10.1021/om300429u","","","0.71069","MoKα","","0.031","0.0289","","","0.066","0.0672","","","","","","1.05","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078825","5.8981","0.0003","10.9256","0.0006","29.657","0.0016","90","","90","","90","","1911.11","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 F3 N2 O7 Si -","- C14 H25 F3 N2 O7 Si -","- C56 H100 F12 N8 O28 Si4 -","4","1","","Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold","Silicon-Containing Dipeptidic Aspartame and Neotame Analogues","Organometallics","2012","31","16","5903","","10.1021/om300442e","","","0.71073","MoKα","","0.0298","0.0273","","","0.0689","0.0704","","","","","","1.039","","","","has coordinates","178677","2020-10-21","18:00:00",""
"4078866","30.8877","0.0009","12.937","0.0002","18.9561","0.0003","90","","90","","90","","7574.7","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H40 Li Mg O Si3 -","- C16 H40.3333 Li Mg O Si3 -","- C192 H484 Li12 Mg12 O12 Si36 -","12","3","","Baillie, Sharon E.; Clegg, William; Garc\?ía-Álvarez, Pablo; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Russo, Luca","Synthesis, Structural Elucidation, and Diffusion-Ordered NMR Studies of Homoleptic Alkyllithium Magnesiates: Donor-Controlled Structural Variations in Mixed-Metal Chemistry","Organometallics","2012","31","14","5131","","10.1021/om300477m","","","0.71073","MoKα","","0.097","0.0845","","","0.1724","0.1763","","","","","","1.147","","","","has coordinates,has disorder","178677","2020-10-21","18:00:00",""
"4078908","10.5386","0.0011","11.7472","0.0012","12.8934","0.0014","90","","90","","90","","1596.2","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 B10 F3 N3 O2 -","- C6 H18 B10 F3 N3 O2 -","- C24 H72 B40 F12 N12 O8 -","4","1","","El-Zaria, Mohamed E.; Janzen, Nancy; Valliant, John F.","Room-Temperature Synthesis of Re(I) and Tc(I) Metallocarboranes","Organometallics","2012","31","16","5940","","10.1021/om300521j","","","0.71073","MoKα","","0.053","0.043","","","0.0965","0.1023","","","","","","1.038","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078920","11.3916","0.0002","21.724","0.0004","44.4879","0.0008","90","","90","","90","","11009.5","0.3","200","","200","","","","","","","","from RMIT University","6","P 21 21 21","P 2ac 2ab","19","","","","- C119 H88 F16 I4 P6 Pd4 -","- C119 H88 F16 I4 P6 Pd4 -","- C476 H352 F64 I16 P24 Pd16 -","4","1","","Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A.","Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species","Organometallics","2012","31","15","5561","","10.1021/om300525p","","","0.71073","MoKα","","0.0405","0.0292","","0.0937","0.0759","0.0937","","","","","","0.7691","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078953","10.69015","0.00018","14.5286","0.0002","15.0235","0.0002","90","","90","","90","","2333.34","0.06","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(pS,S~S~)-Dichloro[(1,2,3,3a,7a-η)-1-[2-(methylsulfinyl-κS)-1-naphthyl]- 2-methyl-1H-inden-1-yl]rhodium","","- C27 H23 Cl2 O Rh S -","- C27 H23 Cl2 O Rh S -","- C108 H92 Cl8 O4 Rh4 S4 -","4","1","","Baker, Robert W.; Radzey, Hanna; Lucas, Nigel T.; Turner, Peter","Stereospecific Syntheses and Structures of Planar Chiral Bidentate η5:κS-Indenyl-Sulfanyl and-Sulfinyl Complexes of Rhodium(III)","Organometallics","2012","31","15","5622","","10.1021/om300581r","","","0.71073","MoKα","","0.0542","0.0385","","","0.0449","0.0474","","","","","","1.201","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078956","11.2252","0.0003","18.7357","0.0005","19.1203","0.0006","90","","90","","90","","4021.2","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H37 B F15 P -","- C44 H37 B F15 P -","- C176 H148 B4 F60 P4 -","4","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","0.71073","MoKα","","0.0541","0.0459","","","0.115","0.1211","","","","","","1.05","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078959","9.8745","0.0006","18.2413","0.001","23.7744","0.0013","90","","90","","90","","4282.3","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H36 B F15 P -","- C47 H36 B F15 P -","- C188 H144 B4 F60 P4 -","4","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","0.71073","MoKα","","0.111","0.0728","","","0.189","0.2161","","","","","","1.03","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078965","13.3052","0.0002","15.4057","0.0004","20.3224","0.0005","90","","90","","90","","4165.6","0.16","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H39 B F15 P -","- C44 H39 B F15 P -","- C176 H156 B4 F60 P4 -","4","1","","Reddy, J. Sreedhar; Xu, Bao-Hua; Mahdi, Tayseer; Fröhlich, Roland; Kehr, Gerald; Stephan, Douglas W.; Erker, Gerhard","Alkenylborane-Derived Frustrated Lewis Pairs: Metal-Free Catalytic Hydrogenation Reactions of Electron-Deficient Alkenes","Organometallics","2012","31","15","5638","","10.1021/om3006068","","","1.54178","CuKα","","0.0363","0.0352","","","0.0848","0.0858","","","","","","1.052","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078967","9.5328","0.001","10.7889","0.0011","11.9834","0.0012","90","","90","","90","","1232.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C48 H64 N8 O12 -","4","1","","Fernández-Moreira, Vanesa; Ortego, M. Lourdes; Williams, Catrin F.; Coogan, Michael P.; Villacampa, M. Dolores; Gimeno, M. Concepción","Bioconjugated Rhenium(I) Complexes with Amino Acid Derivatives: Synthesis, Photophysical Properties, and Cell Imaging Studies","Organometallics","2012","31","16","5950","","10.1021/om300610j","","","0.71073","MoKα","","0.0365","0.0333","","","0.0758","0.0775","","","","","","1.064","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078975","10.2766","0.0003","17.9182","0.0005","20.3739","0.0005","90","","90","","90","","3751.61","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H58 Cl N6 Nb -","- C33 H58 Cl N6 Nb -","- C132 H232 Cl4 N24 Nb4 -","4","1","","Perera, T. Hiran; Lord, Richard L.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.","Metallapyrimidines and Metallapyrimidiniums from Oxidative Addition of Pyrazolate N‒N Bonds to Niobium(III), Niobium(IV), and Tantalum(IV) Metal Centers and Assessment of Their Aromatic Character","Organometallics","2012","31","17","5971","","10.1021/om300490w","","","0.71073","MoKα","","0.0281","0.0261","","","0.0598","0.0606","","","","","","1.047","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078976","10.2318","0.0003","17.9282","0.0005","20.2874","0.0006","90","","90","","90","","3721.48","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H58 Cl N6 Ta -","- C33 H58 Cl N6 Ta -","- C132 H232 Cl4 N24 Ta4 -","4","1","","Perera, T. Hiran; Lord, Richard L.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.","Metallapyrimidines and Metallapyrimidiniums from Oxidative Addition of Pyrazolate N‒N Bonds to Niobium(III), Niobium(IV), and Tantalum(IV) Metal Centers and Assessment of Their Aromatic Character","Organometallics","2012","31","17","5971","","10.1021/om300490w","","","0.71073","MoKα","","0.0209","0.0192","","","0.0398","0.0402","","","","","","0.989","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4078977","9.5471","0.0009","17.2627","0.0015","21.1366","0.0019","90","","90","","90","","3483.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H57 N6 Nb -","- C33 H57 N6 Nb -","- C132 H228 N24 Nb4 -","4","1","","Perera, T. Hiran; Lord, Richard L.; Heeg, Mary Jane; Schlegel, H. Bernhard; Winter, Charles H.","Metallapyrimidines and Metallapyrimidiniums from Oxidative Addition of Pyrazolate N‒N Bonds to Niobium(III), Niobium(IV), and Tantalum(IV) Metal Centers and Assessment of Their Aromatic Character","Organometallics","2012","31","17","5971","","10.1021/om300490w","","","0.71073","MoKα","","0.0449","0.0417","","","0.1096","0.112","","","","","","1.119","","","","has coordinates","178678","2020-10-21","18:00:00",""
"4079053","8.0499","0.001","16.871","0.002","26.702","0.003","90","","90","","90","","3626.4","0.7","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cl2 N2 O3 Th -","- C32 H52 Cl2 N2 O3 Th -","- C128 H208 Cl8 N8 O12 Th4 -","4","1","","Hayes, Cassandra E.; Platel, Rachel H.; Schafer, Laurel L.; Leznoff, Daniel B.","Diamido-Ether Actinide Complexes as Catalysts for the Intramolecular Hydroamination of Aminoalkenes","Organometallics","2012","31","19","6732","","10.1021/om300410h","","","0.71073","MoKα","","0.0305","0.0244","","0.0245","0.0235","0.0233","","","","","","0.9903","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079066","7.8042","0.0002","10.3403","0.0003","22.6773","0.0006","90","","90","","90","","1830.01","0.09","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Fe N O Si -","- C20 H23 Fe N O Si -","- C80 H92 Fe4 N4 O4 Si4 -","4","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0235","0.022","","","0.0608","0.0619","","","","","","1.039","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079070","8.3549","0.0002","10.0008","0.0002","28.5722","0.0007","90","","90","","90","","2387.37","0.09","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 Fe N O Si2 -","- C23 H31 Fe N O Si2 -","- C92 H124 Fe4 N4 O4 Si8 -","4","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0426","0.0391","","","0.0855","0.0882","","","","","","1.047","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079071","10.9331","0.0002","11.0599","0.0002","21.0231","0.0003","90","","90","","90","","2542.09","0.07","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F5 Fe N O Si2 -","- C23 H26 F5 Fe N O Si2 -","- C92 H104 F20 Fe4 N4 O4 Si8 -","4","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0411","0.0375","","","0.0834","0.0865","","","","","","1.085","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079077","10.0606","0.0002","12.4205","0.0002","19.4302","0.0004","90","","90","","90","","2427.95","0.08","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 Fe O3 Si2 -","- C21 H36 Fe O3 Si2 -","- C84 H144 Fe4 O12 Si8 -","4","1","","Wang, Xiaowu; Fröhlich, Roland; Daniliuc, Constantin G.; Rieger, Bernhard; Jonovic, Aleksandra; Kehr, Gerald; Erker, Gerhard","(“Ferrocene-salaldiminato”)zirconium Complexes for Ethylene Polymerization Catalysis: The Role of the Bulky Substituents","Organometallics","2012","31","19","6741","","10.1021/om3004509","","","0.71073","MoKα","","0.0668","0.0544","","","0.0985","0.1068","","","","","","1.12","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079080","9.2993","0.0003","16.3159","0.0006","18.3887","0.0006","90","","90","","90","","2790.05","0.16","110","","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 Cl3 Ir N4 -","- C29 H31 Cl3 Ir N4 -","- C116 H124 Cl12 Ir4 N16 -","4","1","","Chianese, Anthony R.; Shaner, Sarah E.; Tendler, Jennifer A.; Pudalov, David M.; Shopov, Dimitar Y.; Kim, Daniel; Rogers, Scott L.; Mo, Allen","Iridium Complexes of Bulky CCC-Pincer N-Heterocyclic Carbene Ligands: Steric Control of Coordination Number and Catalytic Alkene Isomerization","Organometallics","2012","31","21","7359","","10.1021/om300468d","","x-ray","0.7107","MoKα","","0.0386","0.0333","","0.0683","0.0662","0.0683","","","","","","0.9949","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079089","8.9344","0.0001","16.237","0.0002","19.636","0.0003","90","","90","","90","","2848.55","0.06","210","2","210","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","Stambuli 1841","","","- C24 H40 F3 Ir O4 P S -","- C24 H40 F3 Ir O4 P S -","- C96 H160 F12 Ir4 O16 P4 S4 -","4","1","","Whittemore, Sean M.; Yoder, Ryan J.; Stambuli, James P.","Site-Selective Alkyl Dehydrogenation of a Coordinated Acylphosphine Ligand","Organometallics","2012","31","17","6124","","10.1021/om300471h","","x-ray","0.71073","MoKα","","0.0453","0.0344","","","0.0706","0.0745","","","","","","1.036","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079098","12.44923","0.00018","14.1316","0.0002","32.7302","0.0005","90","","90","","90","","5758.14","0.15","160","1","160","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C70 H46 Cl2 N2 Ni O4 P2 S2 -","- C70 H46 Cl2 N2 Ni O4 P2 S2 -","- C280 H184 Cl8 N8 Ni4 O16 P8 S8 -","4","1","","Linden, Anthony; Llovera, Ligia; Herrera, Julio; Dorta, Reto; Agrifoglio, Giuseppe; Dorta, Romano","“Chiral-at-Metal” Hemilabile Nickel Complexes with a Latent d10-ML2Configuration: Receiving Substrates with Open Arms","Organometallics","2012","31","17","6162","","10.1021/om300484z","","","0.71073","MoKα","","0.0462","0.037","","","0.0837","0.0888","","","","","","1.029","","","","has coordinates","178679","2020-10-21","18:00:00",""
"4079099","12.547","0.0003","22.4042","0.0005","25.2593","0.0006","90","","90","","90","","7100.5","0.3","160","1","160","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C87 H68 N2 Ni O5 P2 -","- C81 H62 N2 Ni O5 P2 -","- C324 H248 N8 Ni4 O20 P8 -","4","1","","Linden, Anthony; Llovera, Ligia; Herrera, Julio; Dorta, Reto; Agrifoglio, Giuseppe; Dorta, Romano","“Chiral-at-Metal” Hemilabile Nickel Complexes with a Latent d10-ML2Configuration: Receiving Substrates with Open Arms","Organometallics","2012","31","17","6162","","10.1021/om300484z","","","0.71073","MoKα","","0.072","0.0548","","","0.1407","0.1505","","","","","","1.046","","","","has coordinates,has disorder","178679","2020-10-21","18:00:00",""
"4079102","8.18331","0.00006","8.431","0.00006","33.1182","0.0002","90","","90","","90","","2284.94","0.03","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Br Cu Mg O4 -","- C22 H30 Br Cu Mg O4 -","- C88 H120 Br4 Cu4 Mg4 O16 -","4","1","","Bomparola, Roberta; Davies, Robert P.; Lal, Steven; White, Andrew J. P.","Functionalized Organocuprates: Structures of Lithium and Magnesium Grignard 2-Methoxyphenylcuprates","Organometallics","2012","31","22","7877","","10.1021/om300488j","","","1.54184","CuKα","","0.0176","0.0163","","","0.043","0.0434","","","","","","1.101","","","","has coordinates,has disorder","178680","2020-10-21","18:00:00",""
"4079103","7.9461","0.0015","8.5104","0.0007","33.255","0.003","90","","90","","90","","2248.9","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl Cu Mg O4 -","- C22 H30 Cl Cu Mg O4 -","- C88 H120 Cl4 Cu4 Mg4 O16 -","4","1","","Bomparola, Roberta; Davies, Robert P.; Lal, Steven; White, Andrew J. P.","Functionalized Organocuprates: Structures of Lithium and Magnesium Grignard 2-Methoxyphenylcuprates","Organometallics","2012","31","22","7877","","10.1021/om300488j","","","1.54184","CuKα","","0.0662","0.061","","","0.145","0.1467","","","","","","1.179","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079111","8.6834","0.0002","8.9379","0.0002","37.5356","0.0009","90","","90","","90","","2913.19","0.12","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 Ca I O4 -","- C27 H47 Ca I O4 -","- C108 H188 Ca4 I4 O16 -","4","1","","Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias","Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents","Organometallics","2012","31","17","6172","","10.1021/om300508w","","","0.71073","MoKα","","0.0742","0.0421","","","0.0695","0.0765","","","","","","0.98","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079112","8.7118","0.0007","8.9636","0.0007","37.91","0.003","90","","90","","90","","2960.4","0.4","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 Ca Cl I O4 -","- C26 H44 Ca Cl I O4 -","- C104 H176 Ca4 Cl4 I4 O16 -","4","1","","Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias","Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents","Organometallics","2012","31","17","6172","","10.1021/om300508w","","","0.71073","MoKα","","0.1339","0.0518","","","0.0956","0.1257","","","","","","1.012","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079113","8.8432","0.0005","8.9677","0.0005","37.2212","0.0019","90","","90","","90","","2951.8","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 Br Ca I O4 -","- C26 H44 Br Ca I O4 -","- C104 H176 Br4 Ca4 I4 O16 -","4","1","","Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias","Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents","Organometallics","2012","31","17","6172","","10.1021/om300508w","","","0.71073","MoKα","","0.077","0.0643","","","0.1603","0.1657","","","","","","1.107","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079122","8.3815","0.0004","10.1729","0.0004","52.705","0.002","90","","90","","90","","4493.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H11 O3 Re -","- C18 H11 O3 Re -","- C216 H132 O36 Re12 -","12","3","","Nikitin, Kirill; Bothe, Cornelia; Müller-Bunz, Helge; Ortin, Yannick; McGlinchey, Michael J.","High and Low Rotational Barriers in Metal Tricarbonyl Complexes of 2- and 3-Indenyl Anthracenes and Triptycenes: Rational Design of Molecular Brakes","Organometallics","2012","31","17","6183","","10.1021/om300512z","","","0.71073","MoKα","","0.0487","0.0474","","","0.095","0.0955","","","","","","1.283","","","","has coordinates","178680","2020-10-21","18:00:00",""
"4079163","4.9545","0.0003","8.5064","0.0005","28.892","0.0017","90","","90","","90","","1217.65","0.13","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dimethylgoldtolylpyridine","","- C14 H16 Au N -","- C14 H16 Au N -","- C56 H64 Au4 N4 -","4","1","","Langseth, Eirin; Görbitz, Carl Henrik; Heyn, Richard H.; Tilset, Mats","Versatile Methods for Preparation of New Cyclometalated Gold(III) Complexes","Organometallics","2012","31","18","6567","","10.1021/om300537a","","","0.71073","MoKα","","0.0424","0.0316","","","0.0548","0.057","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079233","8.7385","0.0009","11.4473","0.0012","15.1957","0.0016","90","","90","","90","","1520.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","García-López, José-Antonio; Oliva-Madrid, María-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Reactivity toward CO of Eight-Membered Palladacycles Derived from the Insertion of Alkenes into the Pd‒C Bond of Cyclopalladated Primary Arylalkylamines of Pharmaceutical Interest. Synthesis of Tetrahydrobenzazocinones, Ortho-Functionalized Phenethylamines, Ureas, and an Isocyanate","Organometallics","2012","31","17","6351","","10.1021/om300593x","","","0.71073","MoKα","","0.0492","0.0466","","","0.1197","0.1214","","","","","","1.142","","","","has coordinates","178681","2020-10-21","18:00:00",""
"4079287","10.2822","0.0005","11.0911","0.0005","20.2384","0.0012","90","","90","","90","","2308","0.2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 K N2 O Sn -","- C20 H31 K N2 O Sn -","- C80 H124 K4 N8 O4 Sn4 -","4","1","","Chia, Siew-Peng; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Distannylene toward Potassium Graphite: Synthesis of a Stannylidenide Anion","Organometallics","2012","31","17","6415","","10.1021/om300646d","","","0.71073","MoKα","","0.0826","0.0515","","","0.1055","0.1336","","","","","","1.01","","","","has coordinates,has disorder","178681","2020-10-21","18:00:00",""
"4079330","9.8633","0.0002","19.018","0.0003","22.4013","0.0005","90","","90","","90","","4202.04","0.14","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 B Cl7 N7 P Ru -","- C34 H36 B Cl7 N7 P Ru -","- C136 H144 B4 Cl28 N28 P4 Ru4 -","4","1","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.0778","0.0536","","","0.1325","0.172","","","","","","1.116","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079331","8.1942","0.0002","19.313","0.0003","19.9311","0.0004","90","","90","","90","","3154.19","0.11","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 B N10 P Ru -","- C32 H34 B N10 P Ru -","- C128 H136 B4 N40 P4 Ru4 -","4","1","","Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan","Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media","Organometallics","2012","31","19","6887","","10.1021/om300687a","","","0.71073","MoKα","","0.0483","0.0344","","","0.0884","0.1147","","","","","","1.226","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079341","10.5602","0.0002","16.2529","0.0003","36.3419","0.0007","90","","90","","90","","6237.5","0.2","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 Au Cl P2 Si2 -","- C30 H36 Au Cl P2 Si2 -","- C240 H288 Au8 Cl8 P16 Si16 -","8","2","","Gualco, Pauline; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","Gold-Mediated Insertion of Oxygen into Silicon‒Silicon Bond: An Original Au(I)/Au(III) Redox Sequence","Organometallics","2012","31","17","6001","","10.1021/om3006905","","","0.71073","MoKα","","0.0618","0.0408","","","0.0676","0.0734","","","","","","1.025","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079349","7.1795","0.0009","11.8709","0.0015","22.508","0.003","90","","90","","90","","1918.3","0.4","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Ir -","- C25 H25 Ir -","- C100 H100 Ir4 -","4","1","","Graeupner, Jonathan; Brewster, Timothy P.; Blakemore, James D.; Schley, Nathan D.; Thomsen, Julianne M.; Brudvig, Gary W.; Hazari, Nilay; Crabtree, Robert H.","Electron-Rich CpIr(biphenyl-2,2'-diyl) Complexes with π-Accepting Carbon Donor Ligands.","Organometallics","2012","31","20","7158","7164","10.1021/om300696t","","","0.71075","MoKα","","","0.043","","","","0.067","","","","","","1.122","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079351","12.614","0.0003","12.6942","0.0003","17.5738","0.0004","90","","90","","90","","2814","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N3 O Si2 Zn -","- C26 H41 N3 O Si2 Zn -","- C104 H164 N12 O4 Si8 Zn4 -","4","1","","Abbina, Srinivas; Du, Guodong","Chiral Amido-Oxazolinate Zinc Complexes for Asymmetric Alternating Copolymerization of CO2and Cyclohexene Oxide","Organometallics","2012","31","21","7394","","10.1021/om3006992","","","0.71073","MoKα","","0.0219","0.02","","","0.0507","0.0515","","","","","","1.036","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079352","8.2758","0.0004","11.7384","0.0006","30.5893","0.0016","90","","90","","90","","2971.6","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","11070a","","","- C27 H43 N3 O Si2 Zn -","- C27 H43 N3 O Si2 Zn -","- C108 H172 N12 O4 Si8 Zn4 -","4","1","","Abbina, Srinivas; Du, Guodong","Chiral Amido-Oxazolinate Zinc Complexes for Asymmetric Alternating Copolymerization of CO2and Cyclohexene Oxide","Organometallics","2012","31","21","7394","","10.1021/om3006992","","","0.71073","MoKα","","0.0298","0.0278","","","0.0765","0.0779","","","","","","1.049","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079378","9.7848","0.001","13.5336","0.0013","18.4873","0.0018","90","","90","","90","","2448.2","0.4","208","2","208","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 Br2 Cl2 P2 Pt -","- C19 H30 Br2 Cl2 P2 Pt -","- C76 H120 Br8 Cl8 P8 Pt4 -","4","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0261","0.0243","","","0.053","0.0535","","","","","","0.975","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079380","15.3682","0.0015","24.952","0.002","26.136","0.003","90","","90","","90","","10022.3","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H53 Cl7 P2 Pt -","- C27 H47 Cl P2 Pt -","- C324 H564 Cl12 P24 Pt12 -","12","3","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0541","0.0464","","","0.1189","0.1234","","","","","","1.108","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079381","10.7821","0.0015","21.19","0.003","29.56","0.004","90","","90","","90","","6753.7","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H100 Cl8 P6 Pt2 -","- C54 H94 P6 Pt2 -","- C216 H376 P24 Pt8 -","4","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0346","0.0313","","","0.0699","0.071","","","","","","1.048","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079382","8.768","0.006","20.341","0.013","21.435","0.014","90","","90","","90","","3823","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 Cl4 P2 Pt -","- C41 H42 Cl4 P2 Pt -","- C164 H168 Cl16 P8 Pt4 -","4","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0306","0.027","","","0.0629","0.0651","","","","","","1.033","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079385","10.5443","0.0003","13.0578","0.0005","17.5526","0.0006","90","","90","","90","","2416.74","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 Cl Fe P2 Pt -","- C23 H35 Cl Fe P2 Pt -","- C92 H140 Cl4 Fe4 P8 Pt4 -","4","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0187","0.0176","","","0.0368","0.0371","","","","","","0.872","","","","has coordinates,has disorder","178682","2020-10-21","18:00:00",""
"4079387","8.7104","0.0003","12.5809","0.0004","20.3999","0.0007","90","","90","","90","","2235.52","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 Cl P2 Pt -","- C20 H33 Cl P2 Pt -","- C80 H132 Cl4 P8 Pt4 -","4","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0182","0.0171","","","0.0396","0.0401","","","","","","0.951","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079388","12.2108","0.0005","13.9863","0.0006","16.1809","0.0007","90","","90","","90","","2763.4","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl Fe P2 Pt -","- C28 H37 Cl Fe P2 Pt -","- C112 H148 Cl4 Fe4 P8 Pt4 -","4","1","","Guino-o, Marites A.; Zureick, Andrew H.; Blank, Natalia F.; Anderson, Brian J.; Chapp, Timothy W.; Kim, Youngmin; Glueck, David S.; Rheingold, Arnold L.","Synthesis and Structure of Platinum Bis(phospholane) Complexes Pt(diphos*)(R)(X), Catalyst Precursors for Asymmetric Phosphine Alkylation","Organometallics","2012","31","19","6900","","10.1021/om300704e","","","0.71073","MoKα","","0.0396","0.033","","","0.0715","0.0742","","","","","","1.044","","","","has coordinates","178682","2020-10-21","18:00:00",""
"4079420","10.1408","0.0005","14.7064","0.0006","33.421","0.003","90","","90","","90","","4984.2","0.5","180","2","180","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 Cl2 Fe N O2 P Rh S -","- C41 H45 Cl2 Fe N O2 P Rh S -","- C164 H180 Cl8 Fe4 N4 O8 P4 Rh4 S4 -","4","1","","Wei, Muh-Mei; Garc\?ía-Melchor, Max; Daran, Jean-Claude; Audin, Catherine; Lledós, Agustí; Poli, Rinaldo; Deydier, Eric; Manoury, Eric","Coordination Chemistry of New Chiral P,N Ferrocenyl Ligands with Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2012","31","18","6669","","10.1021/om300738q","","","0.71073","MoKα","","0.1017","0.0793","","","0.1789","0.1903","","","","","","1.074","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079441","6.6572","0.0001","8.0888","0.0002","31.8456","0.0007","90","","90","","90","","1714.85","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cr N S -","- C20 H22 Cr N S -","- C80 H88 Cr4 N4 S4 -","4","1","","MacLeod, K. Cory; Patrick, Brian O.; Smith, Kevin M.","Oxidatively Induced Reductive Elimination from a Chromium(III) Bis(aryl) Complex","Organometallics","2012","31","18","6681","","10.1021/om300751z","","","0.71073","MoKα","","0.0376","0.0329","","","0.0757","0.0778","","","","","","1.104","","","","has coordinates","178683","2020-10-21","18:00:00",""
"4079510","12.7022","0.0003","15.6607","0.0003","23.8898","0.0005","90","","90","","90","","4752.29","0.18","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H67 Cl2 N2 O P Ru -","- C53 H67 Cl2 N2 O P Ru -","- C212 H268 Cl8 N8 O4 P4 Ru4 -","4","1","","Ablialimov, Osman; Kędziorek, Mariusz; Torborg, Christian; Malińska, Maura; Woźniak, Krzysztof; Grela, Karol","New Ruthenium(II) Indenylidene Complexes Bearing Unsymmetrical N-Heterocyclic Carbenes","Organometallics","2012","31","21","7316","","10.1021/om300783g","","","0.71073","","","0.0625","0.0434","","","0.1219","0.1396","","","","","","1.221","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079511","7.9196","0.0003","14.5983","0.0005","25.844","0.0009","90","","90","","90","","2987.89","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Cl2 N2 O3 Ru -","- C32 H38 Cl2 N2 O3 Ru -","- C128 H152 Cl8 N8 O12 Ru4 -","4","1","","Pump, Eva; Fischer, Roland C.; Slugovc, Christian","Halide Exchange in Second-Generationcis-Dihalo Ruthenium Benzylidene Complexes","Organometallics","2012","31","19","6972","","10.1021/om300785t","","","0.71073","MoKα","","0.039","0.028","","","0.0703","0.0742","","","","","","1.061","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079529","10.2667","0.00003","13.3407","0.00005","22.72424","0.00006","90","","90","","90","","3112.43","0.017","114.99","0.1","114.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H56 N P3 Ru -","- C29 H56 N P3 Ru -","- C116 H224 N4 P12 Ru4 -","4","1","","Scherl, Peter; Kruckenberg, Achim; Mader, Steffen; Wadepohl, Hubert; Gade, Lutz H.","Ruthenium η4-Trimethylenemethane Complexes Containing Tripodal Phosphanomethylamine Ligands","Organometallics","2012","31","19","7024","","10.1021/om300794h","","x-ray","1.5418","CuKα","","0.0132","0.0132","","","0.0338","0.0338","","","","","","1.063","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079530","8.48059","0.00006","9.12047","0.00006","34.1042","0.0003","90","","90","","90","","2637.86","0.03","114.97","0.11","114.97","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H48 N P3 Ru -","- C25 H48 N P3 Ru -","- C100 H192 N4 P12 Ru4 -","4","1","","Scherl, Peter; Kruckenberg, Achim; Mader, Steffen; Wadepohl, Hubert; Gade, Lutz H.","Ruthenium η4-Trimethylenemethane Complexes Containing Tripodal Phosphanomethylamine Ligands","Organometallics","2012","31","19","7024","","10.1021/om300794h","","x-ray","1.5418","CuKα","","0.0197","0.0193","","","0.0484","0.0485","","","","","","1.097","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079545","8.2872","0.0002","15.8767","0.0004","18.6988","0.0005","90","","90","","90","","2460.26","0.11","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 Cl3 I2 N4 O Pt -","- C17 H23 Cl3 I2 N4 O Pt -","- C68 H92 Cl12 I8 N16 O4 Pt4 -","4","1","","Chardon, Edith; Dahm, Georges; Guichard, Gilles; Bellemin-Laponnaz, Stéphane","Derivatization of Preformed Platinum N-Heterocyclic Carbene Complexes with Amino Acid and Peptide Ligands and Cytotoxic Activities toward Human Cancer Cells","Organometallics","2012","31","21","7618","","10.1021/om300806g","","","0.71073","MoKα","","0.0409","0.0337","","","0.0856","0.1073","","","","","","1.174","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079599","12.373","0.004","12.529","0.002","24.461","0.005","90","","90","","90","","3792","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 Cl2 Ni P2 -","- C14 H30 Cl2 Ni P2 -","- C112 H240 Cl16 Ni8 P16 -","8","2","","Donets, Pavel A.; Saget, Tanguy; Cramer, Nicolai","Chiral Monodentate Trialkylphosphines Based on the Phospholane Architecture","Organometallics","2012","31","23","8040","","10.1021/om3008772","","","0.71073","MoKα","","0.071","0.0638","","","0.1619","0.1761","","","","","","1.065","","","","has coordinates","178684","2020-10-21","18:00:00",""
"4079601","8.5322","0.0002","12.0949","0.0003","22.4379","0.0005","90","","90","","90","","2315.5","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H38 Cl2 P2 Pd -","- C18 H38 Cl2 P2 Pd -","- C72 H152 Cl8 P8 Pd4 -","4","1","","Donets, Pavel A.; Saget, Tanguy; Cramer, Nicolai","Chiral Monodentate Trialkylphosphines Based on the Phospholane Architecture","Organometallics","2012","31","23","8040","","10.1021/om3008772","","","0.71073","MoKα","","0.0424","0.0307","","","0.0541","0.0597","","","","","","1.049","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079602","8.503","0.0003","13.0765","0.0005","22.5786","0.0008","90","","90","","90","","2510.5","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H42 Cl2 P2 Pd -","- C20 H42 Cl2 P2 Pd -","- C80 H168 Cl8 P8 Pd4 -","4","1","","Donets, Pavel A.; Saget, Tanguy; Cramer, Nicolai","Chiral Monodentate Trialkylphosphines Based on the Phospholane Architecture","Organometallics","2012","31","23","8040","","10.1021/om3008772","","","0.71073","MoKα","","0.0707","0.0533","","","0.1249","0.1379","","","","","","1.04","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079603","8.0418","0.0003","10.5872","0.0004","22.0696","0.0009","90","","90","","90","","1879.01","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 Cl2 P2 Pd -","- C14 H30 Cl2 P2 Pd -","- C56 H120 Cl8 P8 Pd4 -","4","1","","Donets, Pavel A.; Saget, Tanguy; Cramer, Nicolai","Chiral Monodentate Trialkylphosphines Based on the Phospholane Architecture","Organometallics","2012","31","23","8040","","10.1021/om3008772","","","0.71073","MoKα","","0.0755","0.0457","","","0.0732","0.0842","","","","","","1.049","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079626","8.3567","0.0006","10.0489","0.0007","30.09","0.002","90","","90","","90","","2526.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Br N O6 -","- C26 H26 Br N O6 -","- C104 H104 Br4 N4 O24 -","4","1","","Mei, Liang-yong; Wei, Yin; Xu, Qin; Shi, Min","Palladium-Catalyzed Asymmetric Formal [3+2] Cycloaddition of Vinyl Cyclopropanes and β,γ-Unsaturated α-Keto Esters: An Effective Route to Highly Functionalized Cyclopentanes","Organometallics","2012","31","21","7591","","10.1021/om300896z","","","0.71073","MoKα","","0.0806","0.045","","","0.0974","0.1104","","","","","","0.974","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079627","7.746","0.0002","18.6267","0.0004","19.007","0.0004","90","","90","","90","","2742.38","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C88 H92 N4 O20 -","4","1","","Mei, Liang-yong; Wei, Yin; Xu, Qin; Shi, Min","Palladium-Catalyzed Asymmetric Formal [3+2] Cycloaddition of Vinyl Cyclopropanes and β,γ-Unsaturated α-Keto Esters: An Effective Route to Highly Functionalized Cyclopentanes","Organometallics","2012","31","21","7591","","10.1021/om300896z","","","1.54178","CuKα","","0.0499","0.0462","","","0.1501","0.1542","","","","","","1.081","","","","has coordinates,has disorder","178685","2020-10-21","18:00:00",""
"4079650","14.713","0.003","17.364","0.004","27.669","0.006","90","","90","","90","","7069","3","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","Compound 1B","","","- C73 H42 Ag2 Au2 Cl2 F20 N2 O6 P2 -","- C73 H42 Ag2 Au2 Cl2 F20 N2 O6 P2 -","- C292 H168 Ag8 Au8 Cl8 F80 N8 O24 P8 -","4","1","","Savjani, Nicky; Wilkinson, Luke A.; Hughes, David L.; Schormann, Mark; Bochmann, Manfred","Synthesis, Structure, and Luminescent Behavior of Anionic Oligomeric and Polymeric Ag2Au2Clusters","Organometallics","2012","31","21","7600","","10.1021/om300911h","","","0.71075","MoKα","","0.0565","0.0468","","","0.0673","0.0707","","","","","","0.985","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079664","7.8763","0.0001","12.4621","0.0002","46.7798","0.0007","90","","90","","90","","4591.68","0.12","120","2","120","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27.5 Cu F6 N O2.25 P -","- C19 H27 Cu F6 N O2.2585 P -","- C152 H216 Cu8 F48 N8 O18.068 P8 -","8","2","","López, Luis A.; Barrio, Pablo; Borge, Javier","Cationic Copper(I) Carbene Complexes: Synthesis and Structures of a Tricoordinate Copper(I) Carbene Water Complex and a Dicoordinate Carbene Complex","Organometallics","2012","31","22","7844","","10.1021/om300925w","","","1.54184","CuKα","","0.0834","0.0448","","","0.0929","0.1074","","","","","","0.73","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079668","8.8646","0.0002","11.268","0.0002","20.0673","0.0004","90","","90","","90","","2004.45","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Cl P Ti -","- C23 H26 Cl P Ti -","- C92 H104 Cl4 P4 Ti4 -","4","1","","Tagne Kuate, Alain C.; Mohapatra, Swagat K.; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Mono- and Dilithiation of [(η7-C7H7)Ti(η5-C5Me5)] (Pentamethyltroticene) for the Synthesis of Troticenyl Monophosphanes and [2]Troticenophanes with C‒P and C‒Si Bridges","Organometallics","2012","31","24","8544","","10.1021/om300927r","","","1.54184","CuKα","","0.0409","0.0399","","","0.1081","0.1089","","","","","","1.047","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079673","11.1827","0.0002","14.1389","0.0002","14.6759","0.0004","90","","90","","90","","2320.42","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Ti2 -","- C29 H32 Ti2 -","- C116 H128 Ti8 -","4","1","","Tagne Kuate, Alain C.; Mohapatra, Swagat K.; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Mono- and Dilithiation of [(η7-C7H7)Ti(η5-C5Me5)] (Pentamethyltroticene) for the Synthesis of Troticenyl Monophosphanes and [2]Troticenophanes with C‒P and C‒Si Bridges","Organometallics","2012","31","24","8544","","10.1021/om300927r","","","1.54184","CuKα","","0.022","0.0215","","","0.0576","0.0578","","","","","","1.059","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079679","6.2731","0.0003","7.8393","0.0004","27.5628","0.0015","90","","90","","90","","1355.45","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Br N O -","- C13 H18 Br N O -","- C52 H72 Br4 N4 O4 -","4","1","","García-López, José-Antonio; Saura-Llamas, Isabel; McGrady, John E.; Bautista, Delia; Vicente, José","Insertion of Allenes into the Pd‒C Bond of Ortho-Palladated Primary Arylamines of Biological Relevance: Phenethylamine, Phentermine, (l)-Phenylalanine Methyl Ester, and (l)-Tryptophan Methyl Ester. Synthesis of Tetrahydro-3-benzazepines and Their Salts","Organometallics","2012","31","23","8333","","10.1021/om300928j","","","0.71073","MoKα","","0.0357","0.0317","","","0.0682","0.0698","","","","","","1.053","","","","has coordinates","178685","2020-10-21","18:00:00",""
"4079730","7.475","0.0006","14.0637","0.0012","15.9427","0.0013","90","","90","","90","","1676","0.2","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Cp*Ir(kappa2-2,4-pyridinedicarboxylic acid)Cl]","","","- C17 H19 Cl Ir N O4 -","- C17 H19 Cl Ir N O4 -","- C68 H76 Cl4 Ir4 N4 O16 -","4","1","","Bucci, Alberto; Savini, Arianna; Rocchigiani, Luca; Zuccaccia, Cristiano; Rizzato, Silvia; Albinati, Alberto; Llobet, Antoni; Macchioni, Alceo","Organometallic Iridium Catalysts Based on Pyridinecarboxylate Ligands for the Oxidative Splitting of Water","Organometallics","2012","31","23","8071","","10.1021/om301024s","","","0.71073","MoKα","","0.0187","0.0163","","","0.0351","0.0358","","","","","","1.044","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079765","7.9202","0.0005","10.228","0.0007","31.556","0.002","90","","90","","90","","2556.3","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Ca Cl I O4 -","- C22 H36 Ca Cl I O4 -","- C88 H144 Ca4 Cl4 I4 O16 -","4","1","","Köhler, Mathias; Langer, Jens; Görls, Helmar; Westerhausen, Matthias","Synthesis and Molecular Structures of Meta-Substituted Arylcalcium Iodides","Organometallics","2012","31","24","8647","","10.1021/om301087e","","","0.71073","MoKα","","0.1001","0.0739","","","0.1185","0.1291","","","","","","1.291","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079814","6.362","0.004","13.419","0.005","16.041","0.007","90","","90","","90","","1369.4","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Ga N O2 -","- C15 H14 Ga N O2 -","- C60 H56 Ga4 N4 O8 -","4","1","","Pal, Manoj K.; Kushwah, Nisha; Manna, Debashree; Wadawale, Amey; Sudarsan, V.; Ghanty, Tapan K.; Jain, Vimal K.","Diorgano-Gallium and -Indium Complexes Derived from Benzoazole Ligands: Synthesis, Characterization, Photoluminescence, and Computational Studies","Organometallics","2013","32","1","104","","10.1021/om300855x","","","0.71069","MoKα","","0.0648","0.0313","","","0.0683","0.08","","","","","","1.016","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079828","16.46806","0.00008","18.70016","0.00009","29.55729","0.00015","90","","90","","90","","9102.33","0.08","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C91 H98 Cl6 N4 O16 P4 Rh2 -","- C91 H98 Cl6 N4 O16 P4 Rh2 -","- C364 H392 Cl24 N16 O64 P16 Rh8 -","4","1","","Hrdina, Radim; Guénée, Laure; Moraleda, Delphine; Lacour, Jérôme","Synthesis, Structural Analysis, and Catalytic Properties of Tetrakis(binaphthyl or octahydrobinaphthyl phosphate) Dirhodium(II,II) Complexes","Organometallics","2013","32","2","473","","10.1021/om300935u","","","1.54184","CuKα","","0.0485","0.0466","","","0.1282","0.1313","","","","","","1.026","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079838","8.894","0.001","11.152","0.001","22.31","0.001","90","","90","","90","","2212.8","0.3","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 B O P2 -","- C25 H25 B O P2 -","- C100 H100 B4 O4 P8 -","4","1","","Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas","Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives","Organometallics","2013","32","2","498","","10.1021/om300954a","","","0.71069","MoKα","","0.056","0.0494","","","0.0986","0.1035","","","","","","1.089","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079892","9.7339","0.0006","17.7599","0.0011","23.0354","0.0014","90","","90","","90","","3982.2","0.4","121","2","121","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ClMeSi(ON[Me]O).2 C6H6","2,4,8,10-Tetra-tert-butyl-6-chloro-6,12-dimethyl-12H- dibenzo[d,g][1,3,6,2]dioxazasilocine bisbenzene solvate","","- C42 H58 Cl N O2 Si -","- C42 H58 Cl N O2 Si -","- C168 H232 Cl4 N4 O8 Si4 -","4","1","","Shekar, Sukesh; Brown, Seth N.","Migrations of Alkyl and Aryl Groups from Silicon to Nitrogen in Silylated Aryloxyiminoquinones","Organometallics","2013","32","2","556","","10.1021/om301028c","","","0.71073","MoKα","","0.0799","0.0588","","","0.1547","0.1635","","","","","","0.999","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079947","11.465","0.002","14.463","0.003","26.036","0.005","90","","90","","90","","4317.2","1.4","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 Cl2 Co N4 -","- C48 H54 Cl2 Co N4 -","- C192 H216 Cl8 Co4 N16 -","4","1","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","NHC Complexes of Cobalt(II) Relevant to Catalytic C‒C Coupling Reactions","Organometallics","2013","32","3","723","","10.1021/om3010756","","","0.71073","MoKα","","0.0371","0.0355","","","0.0859","0.0872","","","","","","1.002","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079969","17.5561","0.0001","28.53","0.0002","28.6778","0.0002","90","","90","","90","","14364","0.16","173","0.14","173","0.14","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C52 H91 Cl4 Co2 N2 O18 P6 Rh Ru2 -","- C52 H67.5 Cl4 Co2 N2 O18 P6 Rh Ru2 -","- C416 H540 Cl32 Co16 N16 O144 P48 Rh8 Ru16 -","8","2","","Kwan Huang, Enrique; Cheung, Wai-Man; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung","Reactions of a Ruthenium(VI) Nitride with Rhodium(III) and Iridium(III) Aryl Complexes. Insertion of the Ru≡N Group into the Rh‒C Bonds of Trimesitylrhodium(III)","Organometallics","2013","32","3","733","","10.1021/om301114p","","x-ray","1.5418","CuKα","","0.0547","0.0502","","","0.1221","0.1255","","","","","","1.017","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079972","11.0725","0.0004","15.21","0.0005","21.3541","0.0007","90","","90","","90","","3596.3","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 Cl4 N3 O Ru -","- C38 H35 Cl4 N3 O Ru -","- C152 H140 Cl16 N12 O4 Ru4 -","4","1","","Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Clavel, Catherine M.; Scopelliti, Rosario; Dyson, Paul J.","Cytotoxicity of Ruthenium‒Arene Complexes Containing β-Ketoamine Ligands","Organometallics","2013","32","1","309","","10.1021/om301115e","","","0.71073","MoKα","","0.0819","0.0549","","","0.1371","0.159","","","","","","1.042","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079989","10.8345","0.0003","18.1754","0.0004","19.7106","0.0004","90","","90","","90","","3881.44","0.16","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H37 Cl7 Fe N P Pd -","- C36 H37 Cl7 Fe N P Pd -","- C144 H148 Cl28 Fe4 N4 P4 Pd4 -","4","1","","Štěpnička, Petr; Škoch, Karel; Císařová, Ivana","Synthesis, Molecular Structure, and Catalytic Evaluation of Centrostereogenic Ferrocenophane Phosphines","Organometallics","2013","32","2","623","","10.1021/om3011245","","","0.71073","MoKα","","0.0331","0.0269","","","0.0529","0.0551","","","","","","1.018","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4080014","9.6598","0.0003","13.2279","0.0003","20.7805","0.0007","90","","90","","90","","2655.31","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 K O6 -","- C25 H43 K O6 -","- C100 H172 K4 O24 -","4","1","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","0.71073","MoKα","","0.0553","0.0371","","","0.0683","0.0743","","","","","","1.015","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4080015","12.1532","0.0002","14.9904","0.0004","24.2244","0.0006","90","","90","","90","","4413.23","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Ti -","- C26 H38 Ti -","- C208 H304 Ti8 -","8","2","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","0.71073","MoKα","","0.0458","0.0347","","","0.0652","0.0684","","","","","","1.042","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080016","12.0837","0.0002","14.9805","0.0002","24.2167","0.0002","90","","90","","90","","4383.7","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 V -","- C26 H38 V -","- C208 H304 V8 -","8","2","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","1.54184","CuKα","","0.0188","0.0187","","","0.0501","0.0502","","","","","","1.039","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080017","12.0216","0.0002","14.8368","0.0002","24.5563","0.0002","90","","90","","90","","4379.91","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Cr -","- C26 H38 Cr -","- C208 H304 Cr8 -","8","2","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","1.54184","CuKα","","0.0199","0.0197","","","0.0521","0.0522","","","","","","1.026","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080019","9.5922","0.0002","14.8818","0.0004","18.3651","0.0004","90","","90","","90","","2621.6","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 Fe -","- C30 H48 Fe -","- C120 H192 Fe4 -","4","1","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","0.71073","MoKα","","0.0334","0.0279","","","0.0594","0.0614","","","","","","1.045","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080020","8.0907","0.0002","10.9532","0.0002","18.8076","0.0004","90","","90","","90","","1666.71","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Zr -","- C20 H26 Zr -","- C80 H104 Zr4 -","4","1","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","0.71073","MoKα","","0.0149","0.0142","","","0.035","0.0353","","","","","","1.061","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080049","7.8641","0.0001","9.08232","0.0001","16.97075","0.00019","90","","90","","90","","1212.12","0.02","115","0.1","115","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N -","- C15 H19 N -","- C60 H76 N4 -","4","1","","Scholl, Solveig A.; Wadepohl, Hubert; Gade, Lutz H.","Zirconium Hydrazinediido Complexes Derived from Cyclic Hydrazines and Their Role in the Catalytic Synthesis of 1,7-Annulated Indoles","Organometallics","2013","32","3","937","","10.1021/om301235d","","x-ray","1.5418","CuKα","","0.0286","0.028","","","0.0691","0.0696","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080050","8.455","0.004","14.579","0.006","21.01","0.009","90","","90","","90","","2590","2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N -","- C18 H17 N -","- C144 H136 N8 -","8","2","","Scholl, Solveig A.; Wadepohl, Hubert; Gade, Lutz H.","Zirconium Hydrazinediido Complexes Derived from Cyclic Hydrazines and Their Role in the Catalytic Synthesis of 1,7-Annulated Indoles","Organometallics","2013","32","3","937","","10.1021/om301235d","","x-ray","0.71073","MoKα","","0.0418","0.0387","","","0.1009","0.1048","","","","","","1.052","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080064","8.302","0.0006","15.1589","0.0011","19.7947","0.0014","90","","90","","90","","2491.1","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl F6 N4 P Ru -","- C21 H30 Cl F6 N4 P Ru -","- C84 H120 Cl4 F24 N16 P4 Ru4 -","4","1","","DePasquale, Joseph; Kumar, Mukesh; Zeller, Matthias; Papish, Elizabeth T.","Variations on an NHC Theme: Which Features Enhance Catalytic Transfer Hydrogenation with Ruthenium Complexes?","Organometallics","2013","32","4","966","","10.1021/om300547f","","","0.71073","MoKα","","0.0436","0.0423","","","0.1057","0.1064","","","","","","1.165","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080075","15.3032","0.0007","15.4255","0.0007","27.7438","0.0014","90","","90","","90","","6549.2","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 F8 Ir2 N2 O2 -","- C36 H30 F8 Ir2 N2 O2 -","- C288 H240 F64 Ir16 N16 O16 -","8","2","","Mak, Kar Hang Garvin; Chan, Pek Ke; Fan, Wai Yip; Ganguly, Rakesh; Leong, Weng Kee","Photochemical Reaction of Cp*Ir(CO)2with C6F5X (X = CN, F): Formation of Diiridium(II) Complexes","Organometallics","2013","32","4","1053","","10.1021/om301055h","","","0.71073","MoKα","","0.094","0.0523","","","0.1138","0.1284","","","","","","1.073","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080085","9.6837","0.0005","10.3437","0.0005","10.3664","0.0005","90","","90","","90","","1038.35","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1608 ww magr141 (SFc)-FcBrI","(S~Fc~)-2-Bromo-1-iodoferrocene","","- C10 H8 Br Fe I -","- C10 H8 Br Fe I -","- C40 H32 Br4 Fe4 I4 -","4","1","","Zirakzadeh, Afrooz; Groß, Manuela A.; Wang, Yaping; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Biferrocene-Based Diphosphine Ligands: Synthesis and Application of Walphos Analogues in Asymmetric Hydrogenations","Organometallics","2013","32","4","1075","","10.1021/om3012147","","","0.71073","MoKα","","0.0141","0.0139","","","0.0347","0.0348","","","","","","1.099","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080086","8.5531","0.0002","10.3363","0.0002","26.0765","0.0005","90","","90","","90","","2305.36","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1574 ww yw46 (R,SFc,RFc)-3.BH3, isomer of 1521","(R~Fc~)-2''-Bromo-(S~Fc~)-2-[(R)-1-N,N-dimethylaminoethyl-κN] -1,1''-biferrocene trihydridoboron","","- C24 H29 B Br Fe2 N -","- C24 H29 B Br Fe2 N -","- C96 H116 B4 Br4 Fe8 N4 -","4","1","","Zirakzadeh, Afrooz; Groß, Manuela A.; Wang, Yaping; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Biferrocene-Based Diphosphine Ligands: Synthesis and Application of Walphos Analogues in Asymmetric Hydrogenations","Organometallics","2013","32","4","1075","","10.1021/om3012147","","","0.71073","MoKα","","0.0233","0.0214","","","0.0524","0.0531","","","","","","1.049","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080087","9.7275","0.0004","9.967","0.0005","46.626","0.002","90","","90","","90","","4520.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1642x2 ww magr161a (R,SFc,RFc)-16","(S~Fc~)-2-{(R)-1-Bis[3,5-bis(trifluoromethyl)phenyl]phosphinoethyl}- (R~Fc~)-2''-diphenylphosphino-1,1''-biferrocene","","- C50 H36 F12 Fe2 P2 -","- C50 H36 F12 Fe2 P2 -","- C200 H144 F48 Fe8 P8 -","4","1","","Zirakzadeh, Afrooz; Groß, Manuela A.; Wang, Yaping; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Biferrocene-Based Diphosphine Ligands: Synthesis and Application of Walphos Analogues in Asymmetric Hydrogenations","Organometallics","2013","32","4","1075","","10.1021/om3012147","","","0.71073","MoKα","","0.0256","0.0255","","","0.0638","0.0639","","","","","","1.085","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080090","11.5426","0.0002","18.4163","0.0003","22.5369","0.0004","90","","90","","90","","4790.71","0.14","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","1586 ww magr112 [RuCl(p-cymene)(12)]PF6","Chloro-{(S~Fc~)-2-[(R)-1-diphenylphosphinoethyl-κP]- (R~Fc~)-2''-diphenylphosphino-κP-1,1''-biferrocene}- (η6-p-cymene) ruthenium(II) hexafluorophosphate","","- C56 H54 Cl F6 Fe2 P3 Ru -","- C56 H54 Cl F6 Fe2 P3 Ru -","- C224 H216 Cl4 F24 Fe8 P12 Ru4 -","4","1","","Zirakzadeh, Afrooz; Groß, Manuela A.; Wang, Yaping; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Biferrocene-Based Diphosphine Ligands: Synthesis and Application of Walphos Analogues in Asymmetric Hydrogenations","Organometallics","2013","32","4","1075","","10.1021/om3012147","","","0.71073","MoKα","","0.0251","0.0233","","","0.0599","0.0616","","","","","","1.057","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080096","9.2646","0.0009","12.7351","0.0012","19.7474","0.0019","90","","90","","90","","2329.9","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 F3 N O6 Pd S -","- C22 H22 F3 N O6 Pd S -","- C88 H88 F12 N4 O24 Pd4 S4 -","4","1","","Garc\?ía-López, José-Antonio; Oliva-Madrid, Mar\?ía-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Room-Temperature Isolation of Palladium(II) Organocarbonyl Intermediates in the Synthesis of Eight-Membered Lactams after Alkyne/CO Sequential Insertions","Organometallics","2013","32","4","1094","","10.1021/om301241n","","","0.71073","MoKα","","0.0392","0.0355","","","0.0845","0.0867","","","","","","1.042","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080102","12.4821","0.0003","12.8515","0.0003","20.5376","0.0005","90","","90","","90","","3294.51","0.14","219.95","0.1","219.95","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 N4 O4 Pd2 -","- C32 H36 N4 O4 Pd2 -","- C128 H144 N16 O16 Pd8 -","4","1","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Chiral Palladacycles with N-Heterocyclic Carbene Ligands as Catalysts for Asymmetric Hydrophosphination","Organometallics","2013","32","4","1112","","10.1021/om400007a","","","0.7107","MoKα","","0.0815","0.0453","","","0.0762","0.0914","","","","","","1.06","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080103","11.8164","0.0004","16.3861","0.0003","17.9298","0.0004","90","","90","","90","","3471.65","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 I N3 Pd -","- C15 H22 I N3 Pd -","- C120 H176 I8 N24 Pd8 -","8","2","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Chiral Palladacycles with N-Heterocyclic Carbene Ligands as Catalysts for Asymmetric Hydrophosphination","Organometallics","2013","32","4","1112","","10.1021/om400007a","","","0.71073","MOKα","","0.0558","0.0377","","","0.0645","0.0761","","","","","","1.076","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080104","7.8067","0.0005","7.9436","0.0005","33.1475","0.0018","90","","90","","90","","2055.6","0.2","199.95","0.1","199.95","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 I2 N3 Pd -","- C17 H21 I2 N3 Pd -","- C68 H84 I8 N12 Pd4 -","4","1","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Chiral Palladacycles with N-Heterocyclic Carbene Ligands as Catalysts for Asymmetric Hydrophosphination","Organometallics","2013","32","4","1112","","10.1021/om400007a","","","0.7107","MoKα","","0.0777","0.0444","","","0.0527","0.0617","","","","","","1.038","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080109","8.4351","0.0018","16.229","0.004","24.682","0.006","90","","90","","90","","3378.8","1.4","193","2","193","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 F3 O4 P3 Pd S -","- C31 H42 F3 O4 P3 Pd S -","- C124 H168 F12 O16 P12 Pd4 S4 -","4","1","","Derrah, Eric J.; Martin, Carmen; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Chelating Assistance of P‒C and P‒H Bond Activation at Palladium and Nickel: Straightforward Access to Diverse Pincer Complexes from a Diphosphine‒Phosphine Oxide","Organometallics","2013","32","4","1121","","10.1021/om400042v","","x-ray","0.71073","MoKα","","0.0254","0.0234","","","0.0561","0.0572","","","","","","1.045","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080151","10.394","0.007","15.819","0.011","17.659","0.012","90","","90","","90","","2904","3","163","2","163","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Me-PNPiPr Rh (II) acetate","","","- C28 H43 N O2 P2 Rh -","- C28 H43 N O2 P2 Rh -","- C112 H172 N4 O8 P8 Rh4 -","4","1","","Smith, Dan A.; Herbert, David E.; Walensky, Justin R.; Ozerov, Oleg V.","Monomeric Rhodium(II) Complexes Supported by a Diarylamido/Bis(phosphine) PNP Pincer Ligand and Their Reactivity Toward Dihydrogen","Organometallics","2013","32","7","2050","","10.1021/om300760j","","","0.71073","MoKα","","0.0398","0.0345","","","0.0766","0.0795","","","","","","1.025","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080156","8.7514","0.0015","13.562","0.002","22.65","0.004","90","","90","","90","","2688.2","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C136 H128 N8 -","4","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang","Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene","Organometallics","2013","32","8","2291","","10.1021/om300883h","","","0.71073","MoKα","","0.0701","0.047","","","0.1233","0.1391","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080250","10.2093","0.0008","15.3491","0.0012","24.6786","0.0019","90","","90","","90","","3867.2","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H48 B2 O Yb -","- C47 H48 B2 O Yb -","- C188 H192 B8 O4 Yb4 -","4","1","","Yan, KaKing; Schoendorff, George; Upton, Brianna M.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Intermolecular β-Hydrogen Abstraction in Ytterbium, Calcium, and Potassium Tris(dimethylsilyl)methyl Compounds","Organometallics","2013","32","5","1300","","10.1021/om3010299","","","0.71073","MoKα","","0.0279","0.024","","","0.0544","0.0559","","","","","","1.006","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080257","10.5912","0.0005","14.0519","0.0007","14.0695","0.0005","90","","90","","90","","2093.91","0.16","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 B F4 N O -","- C19 H30 B F4 N O -","- C76 H120 B4 F16 N4 O4 -","4","1","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.058","0.0526","","","0.1495","0.1544","","","","","","1.063","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080329","10.1923","0.0008","16.5294","0.0012","26.1084","0.0019","90","","90","","90","","4398.6","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H40 Cl11 Ir N O P -","- C39 H37 Cl11 Ir N O P -","- C156 H148 Cl44 Ir4 N4 O4 P4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0499","0.0467","","","0.1147","0.1165","","","","","","1.071","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080331","11.7636","0.0009","20.7067","0.0016","22.6749","0.0017","90","","90","","90","","5523.3","0.7","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C58 H57 Cl F6 Ir N O3 P3 Sb -","- C58 H50 Cl F6 Ir N O3 P3 Sb -","- C232 H200 Cl4 F24 Ir4 N4 O12 P12 Sb4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0627","0.048","","","0.1004","0.1066","","","","","","1.007","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080335","14.0311","0.0008","14.9436","0.0009","27.7435","0.0016","90","","90","","90","","5817.1","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C58 H36 F26 Ir N O2 P3 Sb -","- C58 H36 F26 Ir N O2 P3 Sb -","- C232 H144 F104 Ir4 N4 O8 P12 Sb4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0708","0.0554","","","0.0956","0.1003","","","","","","1.075","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080336","11.1488","0.0007","21.9003","0.0014","22.0481","0.0015","90","","90","","90","","5383.3","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H28 F26 Ir N O P3 Sb -","- C50 H19 F26 Ir N O P3 Sb -","- C200 H76 F104 Ir4 N4 O4 P12 Sb4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.1184","0.0787","","","0.1615","0.1828","","","","","","1.02","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080339","14.003","0.003","18.597","0.004","22.965","0.005","90","","90","","90","","5980","2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C67 H91 F8 Ir N O7 P4 Sb -","- C51 H51 F8 Ir N O3 P4 Sb -","- C204 H204 F32 Ir4 N4 O12 P16 Sb4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ram\?írez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Chiral Octahedral Phosphano‒Oxazoline Iridium(III) Complexes as Catalysts in Asymmetric Cycloaddition Reactions","Organometallics","2013","32","6","1609","","10.1021/om301089c","","","0.71073","MoKα","","0.0905","0.0532","","","0.0969","0.1073","","","","","","0.918","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080357","9.9554","0.0005","14.8253","0.0007","17.849","0.0008","90","","90","","90","","2634.4","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 N Sc Si2 -","- C25 H40 N Sc Si2 -","- C100 H160 N4 Sc4 Si8 -","4","1","","Li, Xiaofang; Wang, Xiaoying; Tong, Xin; Zhang, Hongxia; Chen, Yuanyuan; Liu, Ying; Liu, Hui; Wang, Xiaojie; Nishiura, Masayoshi; He, Huan; Lin, Zhenguo; Zhang, Shaowen; Hou, Zhaomin","Aluminum Effects in the Syndiospecific Copolymerization of Styrene with Ethylene by Cationic Fluorenyl Scandium Alkyl Catalysts","Organometallics","2013","32","5","1445","","10.1021/om3011036","","","0.71073","MoKα","","0.0278","0.0256","","","0.0631","0.0643","","","","","","1.013","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080389","11.0276","0.0014","16.379","0.002","17.013","0.002","90","","90","","90","","3072.9","0.7","100","","100","","","","","","","","tetrahydrofuran","6","P 21 21 21","P 2ac 2ab","19","","N,N'-bis(4-tolylsulfonyl)- 4,9-diazadodeca-1,11-diene-6-yne-dinickel-cycloocta-1,4-diene","","- C32 H40 N2 Ni2 O4 S2 -","- C32 H40 N2 Ni2 O4 S2 -","- C128 H160 N8 Ni8 O16 S8 -","4","1","","Brun, Sandra; Torres, Óscar; Pla-Quintana, Anna; Roglans, Anna; Goddard, Richard; Pörschke, Klaus-Richard","Nickel(0) Complexes of Acyclic Polyunsaturated Aza Ligands","Organometallics","2013","32","6","1710","","10.1021/om301160m","","","0.71073","Mo-Kα","","0.0523","0.0486","","","0.1204","0.1219","","","","","","1.167","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080396","11.0718","0.0017","25.4","0.004","26.095","0.005","90","","90","","90","","7339","2","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84 H84 Cl Li3 O12 U -","- C84 H84 Cl Li3 O12 U -","- C336 H336 Cl4 Li12 O48 U4 -","4","1","","Robinson, Jerome R.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","Uranium(IV) BINOLate Heterobimetallics: Synthesis and Reactivity in an Asymmetric Diels‒Alder Reaction","Organometallics","2013","32","5","1493","","10.1021/om3011849","","","0.71073","MoKα","","0.0231","0.0211","","","0.0549","0.0557","","","","","","1.032","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080397","19.834","0.003","25.703","0.005","30.533","0.005","90","","90","","90","","15566","5","143","1","143","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H66 Cl Li3 N6 O6 U -","- C72 H66 Cl Li3 N6 O6 U -","- C576 H528 Cl8 Li24 N48 O48 U8 -","8","2","","Robinson, Jerome R.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","Uranium(IV) BINOLate Heterobimetallics: Synthesis and Reactivity in an Asymmetric Diels‒Alder Reaction","Organometallics","2013","32","5","1493","","10.1021/om3011849","","","0.71073","MoKα","","0.0736","0.0574","","","0.1416","0.1504","","","","","","1.039","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080398","15.554","0.003","24.866","0.004","30.021","0.005","90","","90","","90","","11611","3","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C109 H101 Br8 Li3 O14 U -","- C109 H101 Br8 Li3 O14 U -","- C436 H404 Br32 Li12 O56 U4 -","4","1","","Robinson, Jerome R.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","Uranium(IV) BINOLate Heterobimetallics: Synthesis and Reactivity in an Asymmetric Diels‒Alder Reaction","Organometallics","2013","32","5","1493","","10.1021/om3011849","","","0.71073","MoKα","","0.0767","0.062","","","0.1423","0.1485","","","","","","1.08","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080420","6.462","0.002","10.82","0.004","21.212","0.009","90","","90","","90","","1483.1","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 B P -","- C13 H24 B P -","- C52 H96 B4 P4 -","4","1","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","","0.71073","MoKα","","0.0504","0.0503","","","0.1172","0.1172","","","","","","1.225","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080422","18.854","0.004","15.316","0.008","6.811","0.008","90","","90","","90","","1967","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 B O P -","- C19 H28 B O P -","- C76 H112 B4 O4 P4 -","4","1","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","","0.71073","MoKα","","0.0829","0.0465","","","0.105","0.1354","","","","","","0.929","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080423","6.2672","0.0012","12.117","0.002","22.568","0.005","90","","90","","90","","1713.8","0.6","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 B P -","- C19 H28 B P -","- C76 H112 B4 P4 -","4","1","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","x-ray","0.71073","MoKα","","0.0711","0.048","","","0.0957","0.1055","","","","","","1.046","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080448","11.454","0.002","11.704","0.002","20.894","0.004","90","","90","","90","","2801","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 B Cl3 N9 Ru -","- C23 H35 B Cl3 N9 Ru -","- C92 H140 B4 Cl12 N36 Ru4 -","4","1","","Kumar, Mukesh; DePasquale, Joseph; White, Nicholas J.; Zeller, Matthias; Papish, Elizabeth T.","Ruthenium Complexes of Triazole-Based Scorpionate Ligands Transfer Hydrogen to Substrates under Base-Free Conditions","Organometallics","2013","32","7","2135","","10.1021/om301260j","","","0.71073","MoKα","","0.0272","0.0253","","","0.0549","0.0569","","","","","","1.072","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080450","8.9055","0.0009","12.3841","0.0012","14.9984","0.0015","90","","90","","90","","1654.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 B Cl N6 Ru -","- C14 H20 B Cl N6 Ru -","- C56 H80 B4 Cl4 N24 Ru4 -","4","1","","Kumar, Mukesh; DePasquale, Joseph; White, Nicholas J.; Zeller, Matthias; Papish, Elizabeth T.","Ruthenium Complexes of Triazole-Based Scorpionate Ligands Transfer Hydrogen to Substrates under Base-Free Conditions","Organometallics","2013","32","7","2135","","10.1021/om301260j","","","0.71073","MoKα","","0.0199","0.0187","","","0.044","0.0445","","","","","","1.068","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080532","9.3743","0.0006","10.9831","0.0006","24.7685","0.0015","90","","90","","90","","2550.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N2 Pd -","- C27 H28 Cl2 N2 Pd -","- C108 H112 Cl8 N8 Pd4 -","4","1","","Kritchenkov, Andreii S.; Luzyanin, Konstantin V.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Gurzhiy, Vladislav V.; Kukushkin, Vadim Yu.","Selective Nucleophilic Oxygenation of Palladium-Bound Isocyanide Ligands: Route to Imine Complexes That Serve as Efficient Catalysts for Copper-/Phosphine-Free Sonogashira Reactions","Organometallics","2013","32","6","1979","","10.1021/om4000665","","","0.71073","MoKα","","0.0606","0.0517","","","0.1215","0.126","","","","","","1.015","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080534","10.2275","0.0004","15.8186","0.0007","19.4086","0.0014","90","","90","","90","","3140","0.3","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H32 Cl N4 P Ru -","- C38 Cl N5 P Ru -","- C152 Cl4 N20 P4 Ru4 -","4","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Base-Free, Acceptorless, and Chemoselective Alcohol Dehydrogenation Catalyzed by an Amide-DerivedNNN-Ruthenium(II) Hydride Complex","Organometallics","2013","32","7","2046","","10.1021/om4000677","","","1.54178","CuKα","","0.0787","0.0729","","","0.1942","0.2025","","","","","","1.336","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080551","11.766","0.003","19.158","0.002","36.462","0.006","90","","90","","90","","8219","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Ag3 Cl2 F9 N9 O3 -","- C28 H35 Ag3 Cl2 F9 N9 O3 -","- C224 H280 Ag24 Cl16 F72 N72 O24 -","8","2","","Guernon, Hannah; Legault, Claude Y.","N-Acyliminoimidazolium Ylides as Precursors to AnionicN-Heterocyclic Carbene Ligands: Control of Topology and Reactivity","Organometallics","2013","32","6","1988","","10.1021/om400078f","","","1.54176","CuKα","","0.0691","0.0679","","","0.1876","0.1894","","","","","","1.034","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4080562","11.6018","0.0004","13.6568","0.0006","20.1047","0.0006","90","","90","","90","","3185.5","0.2","173.1","","173.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Cl4 Mo P2 Zr -","- C28 H43 Cl4 Mo P2 Zr -","- C112 H172 Cl16 Mo4 P8 Zr4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.0315","","","","0.0671","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080572","8.1635","0.0003","13.7797","0.0006","17.865","0.0007","90","","90","","90","","2009.64","0.14","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N3 O3 Pt -","- C21 H21 N3 O3 Pt -","- C84 H84 N12 O12 Pt4 -","4","1","","Bette, Martin; Kluge, Tim; Schmidt, Jürgen; Steinborn, Dirk","Diacetylplatinum(II) Complexes with κ2-Coordinated Tris(pyridyl)methanol and Tris(pyridyl)methyl Ether Ligands: Structural Insight into the Ligand Dynamics in Solution","Organometallics","2013","32","7","2216","","10.1021/om400091h","","","0.71073","MoKα","","0.0349","0.0293","","","0.0546","0.0558","","","","","","1.037","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080573","8.2151","0.0007","13.9315","0.001","18.5456","0.0017","90","","90","","90","","2122.5","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O3 Pt -","- C22 H23 N3 O3 Pt -","- C88 H92 N12 O12 Pt4 -","4","1","","Bette, Martin; Kluge, Tim; Schmidt, Jürgen; Steinborn, Dirk","Diacetylplatinum(II) Complexes with κ2-Coordinated Tris(pyridyl)methanol and Tris(pyridyl)methyl Ether Ligands: Structural Insight into the Ligand Dynamics in Solution","Organometallics","2013","32","7","2216","","10.1021/om400091h","","","0.71073","MoKα","","0.028","0.025","","","0.0562","0.057","","","","","","1.046","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080576","9.136","0.003","11.886","0.004","21.283","0.008","90","","90","","90","","2311.1","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B10 Co3 S3 -","- C17 H24 B10 Co3 S3 -","- C68 H96 B40 Co12 S12 -","4","1","","Zhang, Xiaolei; Tang, Xiao; Yang, Jiajia; Li, Yizhi; Yan, Hong; Bregadze, Vladimir I.","Boron-Substitutedo-Carboranetrithiol To Construct Trimeric Cobalt Clusters","Organometallics","2013","32","6","2014","","10.1021/om400097m","","","0.71073","MoKα","","0.0962","0.0609","","","0.1354","0.1481","","","","","","1.01","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080592","8.3349","0.0012","17.001","0.002","18.996","0.003","90","","90","","90","","2691.8","0.7","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 B F4 N2 Pd S -","- C28 H29 B F4 N2 Pd S -","- C112 H116 B4 F16 N8 Pd4 S4 -","4","1","","Krishnan, Deepa; Wu, Meiyi; Chiang, Minyi; Li, Yongxin; Leung, Pak-Hing; Pullarkat, Sumod A.","N-Heterocyclic Carbene C,S Palladium(II) π-Allyl Complexes: Synthesis, Characterization, and Catalytic Application In Allylic Amination Reactions","Organometallics","2013","32","8","2389","","10.1021/om400110t","","","0.71073","MoKα","","0.0866","0.0611","","","0.149","0.1691","","","","","","1.137","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080633","9.7515","0.0007","11.4741","0.0008","17.4586","0.0014","90","","90","","90","","1953.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ACD-2","","","- C16 H15 Cl5 N2 O Pd -","- C16 H15 Cl5 N2 O Pd -","- C64 H60 Cl20 N8 O4 Pd4 -","4","1","","De Crisci, Antonio G.; Chung, Kevin; Oliver, Allen G.; Solis-Ibarra, Diego; Waymouth, Robert M.","Chemoselective Oxidation of Polyols with Chiral Palladium Catalysts","Organometallics","2013","32","7","2257","","10.1021/om4001549","","","0.71073","","","0.0148","0.0142","","","0.034","0.0342","","","","","","1.078","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080634","9.4035","0.0004","11.5964","0.0004","17.0774","0.0006","90","","90","","90","","1862.23","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Cl4 N2 O Pd -","- C14 H20 Cl4 N2 O Pd -","- C56 H80 Cl16 N8 O4 Pd4 -","4","1","","De Crisci, Antonio G.; Chung, Kevin; Oliver, Allen G.; Solis-Ibarra, Diego; Waymouth, Robert M.","Chemoselective Oxidation of Polyols with Chiral Palladium Catalysts","Organometallics","2013","32","7","2257","","10.1021/om4001549","","","1.54178","CuKα","","0.0187","0.0179","","","0.0441","0.0444","","","","","","1.05","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080709","12.2807","0.0002","20.2298","0.0003","23.4545","0.0003","90","","90","","90","","5826.94","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C72 H70 Mo N4 O -","- C72 H70 Mo N4 O -","- C288 H280 Mo4 N16 O4 -","4","1","","Reithofer, Michael R.; Dobereiner, Graham E.; Schrock, Richard R.; Müller, Peter","Monoaryloxide Pyrrolide (MAP) Imido Alkylidene Complexes of Molybdenum and Tungsten That Contain 2,6-Bis(2,5-R2-pyrrolyl)phenoxide (R = i-Pr, Ph) Ligands and an Unsubstituted Metallacyclobutane on Its Way to Losing Ethylene.","Organometallics","2013","32","9","2489","2492","10.1021/om400114h","","","1.54178","CuKα","","0.0274","0.0266","","","0.0693","0.07","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080720","9.9725","0.0001","19.8126","0.0003","27.5036","0.0005","90","","90","","90","","5434.19","0.14","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H74.5 Cl N O2 P2 Ru -","- C59 H70 Cl N O2 P2 Ru -","- C236 H280 Cl4 N4 O8 P8 Ru4 -","4","1","","Nakajima, Yumiko; Okamoto, Yuki; Chang, Yung-Hung; Ozawa, Fumiyuki","Synthesis, Structures, and Reactivity of Ruthenium Complexes with PNP-pincer Type Phosphaalkene Ligands","Organometallics","2013","32","10","2918","","10.1021/om400126v","","","0.71075","MoKα","","0.073","0.0505","","","0.1123","0.128","","","","","","1.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080735","11.488","0.001","13.505","0.001","18.355","0.001","90","","90","","90","","2847.7","0.4","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl Cr O5 P2 Pd -","- C25 H33 Cl Cr O5 P2 Pd -","- C100 H132 Cl4 Cr4 O20 P8 Pd4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71069","MoKα","","0.0209","0.0204","","","0.0501","0.0505","","","","","","1.081","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080736","11.5738","0.001","13.6509","0.0012","18.4648","0.0016","90","","90","","90","","2917.3","0.4","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl Cr O5 P2 Pt -","- C25 H33 Cl Cr O5 P2 Pt -","- C100 H132 Cl4 Cr4 O20 P8 Pt4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.0236","0.0214","","","0.0488","0.0497","","","","","","1","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080755","7.7246","0.0015","11.666","0.002","29.958","0.006","90","","90","","90","","2699.7","0.9","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H47 Cl Ni2 P2 -","- C23 H47 Cl Ni2 P2 -","- C92 H188 Cl4 Ni8 P8 -","4","1","","Beck, Robert; Johnson, Samuel A.","Dinuclear Ni(I)—Ni(I) Complexes with Syn-Facial Bridging Ligands from Ni(I) Precursors or Ni(II)/Ni(0) Comproportionation","Organometallics","2013","32","10","2944","","10.1021/om4001633","","","0.71073","MoKα","","0.0712","0.0523","","","0.1016","0.1099","","","","","","1.026","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080760","8.8699","0.0012","10.142","0.002","17.693","0.002","90","","90","","90","","1591.6","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 Ni P -","- C15 H29 Ni P -","- C60 H116 Ni4 P4 -","4","1","","Beck, Robert; Johnson, Samuel A.","Dinuclear Ni(I)—Ni(I) Complexes with Syn-Facial Bridging Ligands from Ni(I) Precursors or Ni(II)/Ni(0) Comproportionation","Organometallics","2013","32","10","2944","","10.1021/om4001633","","","0.71073","MoKα","","0.0339","0.0312","","","0.0766","0.0778","","","","","","1.053","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080770","10.972","0.002","12.542","0.002","15.935","0.003","90","","90","","90","","2192.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 F6 N2 P2 -","- C20 H24 F6 N2 P2 -","- C80 H96 F24 N8 P8 -","4","1","","You, Hongxing; Wang, Yongyong; Zhao, Xiaoli; Chen, Shengjie; Liu, Ye","Stable Ionic Rh(I,II,III) Complexes Ligated by an Imidazolium-Substituted Phosphine with π-Acceptor Character: Synthesis, Characterization, and Application to Hydroformylation","Organometallics","2013","32","9","2698","","10.1021/om400171t","","","0.71073","MoKα","","0.0638","0.0541","","","0.1494","0.1603","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080804","7.5138","0.0006","16.1833","0.0017","19.668","0.0019","90","","90","","90","","2391.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Fe2 P S -","- C30 H25 Fe2 P S -","- C120 H100 Fe8 P4 S4 -","4","1","","Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Low, Paul J.; Lang, Heinrich","Synthesis and (Spectro)electrochemical Behavior of 2,5-Diferrocenyl-1-phenyl-1H-phosphole","Organometallics","2013","32","10","2993","","10.1021/om400201b","","","1.54184","CuKα","","0.0953","0.0871","","","0.2106","0.2236","","","","","","0.998","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080805","7.525","0.0003","16.0764","0.0013","19.8209","0.0011","90","","90","","90","","2397.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Fe2 P Se -","- C30 H25 Fe2 P Se -","- C120 H100 Fe8 P4 Se4 -","4","1","","Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Low, Paul J.; Lang, Heinrich","Synthesis and (Spectro)electrochemical Behavior of 2,5-Diferrocenyl-1-phenyl-1H-phosphole","Organometallics","2013","32","10","2993","","10.1021/om400201b","","","0.71073","MoKα","","0.0965","0.0578","","","0.0839","0.0949","","","","","","0.95","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080834","15.5827","0.0004","15.7535","0.0004","18.4561","0.0005","90","","90","","90","","4530.6","0.2","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H62 B O5 P -","- C53 H62 B O5 P -","- C212 H248 B4 O20 P4 -","4","1","","Khiri-Meribout, Naima; Bertrand, Etienne; Bayardon, Jérôme; Eymin, Marie-Joëlle; Rousselin, Yoann; Cattey, Hélène; Fortin, Daniel; Harvey, Pierre D.; Jugé, Sylvain","P-Chirogenic Phosphines Supported by Calix[4]arene: New Insight into Palladium-Catalyzed Asymmetric Allylic Substitution","Organometallics","2013","32","9","2827","","10.1021/om400229p","","","0.71073","MoKα","","0.1162","0.0586","","","0.1186","0.1389","","","","","","1.009","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080836","15.7555","0.0004","15.9369","0.0004","18.3866","0.0005","90","","90","","90","","4616.8","0.2","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H61 B Cl O5 P -","- C53 H61 B Cl O5 P -","- C212 H244 B4 Cl4 O20 P4 -","4","1","","Khiri-Meribout, Naima; Bertrand, Etienne; Bayardon, Jérôme; Eymin, Marie-Joëlle; Rousselin, Yoann; Cattey, Hélène; Fortin, Daniel; Harvey, Pierre D.; Jugé, Sylvain","P-Chirogenic Phosphines Supported by Calix[4]arene: New Insight into Palladium-Catalyzed Asymmetric Allylic Substitution","Organometallics","2013","32","9","2827","","10.1021/om400229p","","","0.71073","MoKα","","0.0692","0.047","","","0.0919","0.1021","","","","","","1.018","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080868","10.1354","0.0014","20.092","0.003","25.755","0.004","90","","90","","90","","5244.8","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H42 Cl2 N6 P2 Ru -","- C54 H42 Cl2 N6 P2 Ru -","- C216 H168 Cl8 N24 P8 Ru4 -","4","1","","Du, Wangming; Wu, Ping; Wang, Qingfu; Yu, Zhengkun","Ruthenium(II) Complex Catalysts Bearing a Pyridyl-Based Benzimidazolyl‒Benzotriazolyl Ligand for Transfer Hydrogenation of Ketones","Organometallics","2013","32","10","3083","","10.1021/om400298c","","","0.71073","MoKα","","0.0979","0.0654","","","0.1424","0.1538","","","","","","0.958","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080916","15.208","0.003","18.923","0.003","8.862","0.002","90","","90","","90","","2550.3","0.9","203.2","","203.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H38 B11 N O Si3 -","- C11 H38 B11 N O Si3 -","- C44 H152 B44 N4 O4 Si12 -","4","1","","Chandra Sheker Reddy, Anugu; Chen, Zhang; Hatanaka, Tohru; Minami, Tatsuya; Hatanaka, Yasuo","Synthesis of Silaoxazolinium Salts Bearing Weakly Coordinating Anions: Structures and Catalytic Activities in the Aldol Reaction","Organometallics","2013","32","13","3575","","10.1021/om400017f","","","0.7107","MoKα","","","0.0442","","","","0.1265","","","","","","1.252","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080922","12.4308","0.0002","14.2124","0.0003","24.7579","0.0005","90","","90","","90","","4374.02","0.15","173","1","173","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl F12 N14 P2 Ru2 -","- C29 H39 Cl F12 N14 P2 Ru2 -","- C116 H156 Cl4 F48 N56 P8 Ru8 -","4","1","","Reindl, Stefan A.; Pöthig, Alexander; Drees, Markus; Bechlars, Bettina; Herdtweck, Eberhardt; Herrmann, Wolfgang A.; Kühn, Fritz E.","Pyrazolato-Bridged Dinuclear Complexes of Ruthenium(II) and Rhodium(III) with N-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Electrochemical Properties","Organometallics","2013","32","15","4082","","10.1021/om400106f","","","0.71073","MoKα","","0.0275","0.0241","","","0.0572","0.0589","","","","","","1.022","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080943","11.0873","0.0002","18.9766","0.0004","20.1435","0.0004","90","","90","","90","","4238.18","0.14","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 F4 Ni P2 -","- C44 H72 F4 Ni P2 -","- C176 H288 F16 Ni4 P8 -","4","1","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.0249","0.0224","","","0.0506","0.0516","","","","","","1.022","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080962","10.9071","0.0002","22.1098","0.0004","32.683","0.002","90","","90","","90","","7881.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Cl N2 Rh -","- C28 H34.6667 Cl N2 Rh -","- C336 H416 Cl12 N24 Rh12 -","12","3","","Zhou, Yang; Liu, Qingjie; Lv, Weifeng; Pang, Qingyu; Ben, Rong; Qian, Yong; Zhao, Jing","Indazolin-s-ylidene‒N-Heterocyclic Carbene Complexes of Rhodium, Palladium, and Gold: Synthesis, Characterization, and Catalytic Hydration of Alkynes","Organometallics","2013","32","13","3753","","10.1021/om4002928","","","1.54178","CuKα","","0.1259","0.0949","","","0.2137","0.2484","","","","","","1.959","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4081064","11.8808","0.0003","17.5398","0.0003","19.5471","0.0004","90","","90","","90","","4073.36","0.15","123","","123","","","","","","","","see text","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 Br N2 O2 P2 Ru -","- C46 H45 Br N2 O2 P2 Ru -","- C184 H180 Br4 N8 O8 P8 Ru4 -","4","1","","Witt, Julia; Pöthig, Alexander; Kühn, Fritz E.; Baratta, Walter","Abnormal N-Heterocyclic Carbene-Phosphine Ruthenium(II) Complexes as Active Catalysts for Transfer Hydrogenation","Organometallics","2013","32","15","4042","","10.1021/om400400w","","x-ray","0.71073","MoKα","","0.0136","0.0132","","","0.0385","0.0387","","","","","","1.035","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081067","7.9091","0.0002","15.9536","0.0004","17.3354","0.0004","90","","90","","90","","2187.36","0.09","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 P -","- C26 H31 P -","- C104 H124 P4 -","4","1","","Ganushevich, Yulia S.; Miluykov, Vasily A.; Polyancev, Fedor M.; Latypov, Shamil K.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Yakhvarov, Dmitry G.; Sinyashin, Oleg G.","Nickel Phosphanido Hydride Complex: An Intermediate in the Hydrophosphination of Unactivated Alkenes by Primary Phosphine","Organometallics","2013","32","14","3914","","10.1021/om400408e","","","0.71073","MoKα","","0.0614","0.0451","","","0.0984","0.1051","","","","","","1.022","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081082","11.51","0.0007","17.971","0.001","18.1919","0.0011","90","","90","","90","","3762.9","0.4","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 N2 O5 Pd2 Ru2 -","- C42 H36 N2 O5 Pd2 Ru2 -","- C168 H144 N8 O20 Pd8 Ru8 -","4","1","","Mercier, Audrey; Wagschal, Simon; Guénée, Laure; Besnard, Céline; Kündig, E. Peter","Regioselective Cyclometalation of Planar Chiral Pyridine and Oxazoline Derivatives:peri- versusortho-C‒H Functionalization","Organometallics","2013","32","14","3932","","10.1021/om4004175","","","0.71073","MoKα","","0.0464","0.0448","","","0.1202","0.1213","","","","","","1.06","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081102","9.4823","0.0017","15.922","0.003","20.425","0.004","90","","90","","90","","3083.7","1","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl6 Co I2 N2 O3 -","- C20 H27 Cl6 Co I2 N2 O3 -","- C80 H108 Cl24 Co4 I8 N8 O12 -","4","1","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","NCN-Pincer Cobalt Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2013","32","14","3980","","10.1021/om400450n","","","0.71073","MoKα","","0.0865","0.0616","","","0.128","0.1503","","","","","","1.099","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081115","10.4933","0.0011","21.436","0.002","23.573","0.002","90","","90","","90","","5302.4","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H69 B10 N5 O1.5 Zr -","- C39 H69 B10 N5 O1.5 Zr -","- C156 H276 B40 N20 O6 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.1401","0.0876","","","0.2323","0.2803","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081116","13.597","0.003","18.556","0.004","23.349","0.005","90","","90","","90","","5891","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H73 B10 N5 S Zr -","- C45 H73 B10 N5 S Zr -","- C180 H292 B40 N20 S4 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.2028","0.0774","","","0.1958","0.2594","","","","","","0.989","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081119","11.835","0.002","15.803","0.003","23.401","0.005","90","","90","","90","","4376.7","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H54 Cl2 N4 Zr -","- C38 H54 Cl2 N4 Zr -","- C152 H216 Cl8 N16 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.2448","0.1028","","","0.2738","0.3496","","","","","","1.006","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081136","12.8579","0.0005","18.4297","0.0008","26.2219","0.0014","90","","90","","90","","6213.7","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H59 Cl10 Os P3 -","- C63 H58 Cl10 Os P3 -","- C252 H232 Cl40 Os4 P12 -","4","1","","Chen, Jinxiang; Zhang, Chunhong; Xie, Tingwan; Wen, Ting Bin; Zhang, Hong; Xia, Haiping","Conversion of a Hydrido‒Butenylcarbyne Complex to η2-Allene-Coordinated Complexes and Metallabenzenes","Organometallics","2013","32","14","3993","","10.1021/om400469e","","","0.71073","MoKα","","0.0557","0.0495","","","0.1139","0.1175","","","","","","1.032","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081149","9.564","0.005","12.59","0.005","31.439","0.005","90","","90","","90","","3786","3","150","2","150","2","","","","","","","synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H53 B Cl P Ru -","- C43 H53 B Cl P Ru -","- C172 H212 B4 Cl4 P4 Ru4 -","4","1","","Garc\?ía de la Arada, Isaac; D\?íez, Josefina; Gamasa, M. Pilar; Lastra, Elena","Organoruthenium Complexes Containing New Phosphorus‒Carbon and Phosphorus‒Carbon‒Sulfur Ligands Generated in the Coordination Sphere by Nucleophilic Addition Reactions","Organometallics","2013","32","15","4342","","10.1021/om400487g","","","1.5418","CuKα","","0.0404","0.036","","","0.091","0.0953","","","","","","1.05","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081181","11.90299","0.00005","19.06264","0.00008","22.67018","0.0001","90","","90","","90","","5143.92","0.04","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C63 H64 N P3 Ru Si -","- C63 H64 N P3 Ru Si -","- C252 H256 N4 P12 Ru4 Si4 -","4","1","","Scherl, Peter; Wadepohl, Hubert; Gade, Lutz H.","Hydrogenation and Silylation of a Double-Cyclometalated Ruthenium Complex: Structures and Dynamic Behavior of Hydrido and Hydridosilicate Ruthenium Complexes","Organometallics","2013","32","15","4409","","10.1021/om400574a","","x-ray","0.7107","MoKα","","0.0274","0.0243","","","0.0547","0.0553","","","","","","1.049","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081185","9.233","0.0013","12.9405","0.0019","14.769","0.002","90","","90","","90","","1764.6","0.4","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Cl3 Cr N4 S -","- C13 H20 Cl3 Cr N4 S -","- C52 H80 Cl12 Cr4 N16 S4 -","4","1","","Zhang, Jun; Braunstein, Pierre; Hor, T. S. Andy","Correction to Highly Efficient and Selective Chromium(III) Ethylene Trimerization Catalysts with [NON] and [NSN] Heteroscorpionate Ligands","Organometallics","2013","32","15","4456","","10.1021/om4006033","","","0.71073","MoKα","","0.0308","0.029","","","0.067","0.0678","","","","","","1.059","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081271","10.385","0.003","15.557","0.005","28.666","0.009","90","","90","","90","","4631","2","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H77 K N2 O3 -","- C47 H77 K N2 O3 -","- C188 H308 K4 N8 O12 -","4","1","","Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","β-Diketiminate Derivatives of Alkali Metals and Uranium","Organometallics","2013","32","18","5058","","10.1021/om400435b","","","0.71073","MoKα","","0.195","0.0724","","","0.104","0.131","","","","","","1.18","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4081290","8.274","0.002","11.667","0.003","16.84","0.005","90","","90","","90","","1625.6","0.7","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Fe P Si -","- C17 H21 Fe P Si -","- C68 H84 Fe4 P4 Si4 -","4","1","","Ogasawara, Masamichi; Arae, Sachie; Watanabe, Susumu; Subbarayan, Velusamy; Sato, Hiroyasu; Takahashi, Tamotsu","Synthesis and Characterization of Benzo[b]phosphaferrocene Derivatives","Organometallics","2013","32","17","4997","","10.1021/om400496b","","","0.71075","MoKα","","","0.0377","","","","0.0762","","","","","","1.033","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081307","9.525","0.0003","15.6302","0.0004","19.0325","0.0005","90","","90","","90","","2833.51","0.14","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 Cl4 N3 Pd -","- C27 H35 Cl4 N3 Pd -","- C108 H140 Cl16 N12 Pd4 -","4","1","","Badaj, Anna C.; Lavoie, Gino G.","Reactivity Study of Imino-N-Heterocyclic Carbene Palladium(II) Methyl Complexes","Organometallics","2013","32","16","4577","","10.1021/om400533d","","","0.71073","MoKα","","0.0807","0.0459","","","0.0944","0.1124","","","","","","1.088","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081336","9.8219","0.0003","16.3983","0.0004","24.5714","0.0007","90","","90","","90","","3957.53","0.19","108","","108","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H73 B P2 Ru S -","- C40 H73 B P2 Ru S -","- C160 H292 B4 P8 Ru4 S4 -","4","1","","Gloaguen, Yann; Bénac-Lestrille, Gaëtan; Vendier, Laure; Helmstedt, Ulrike; Clot, Eric; Alcaraz, Gilles; Sabo-Etienne, Sylviane","Monosubstituted Borane Ruthenium Complexes RuH2(η2:η2-H2BR)(PR′3)2: A General Approach to the Geminal Bis(σ-B‒H) Coordination Mode","Organometallics","2013","32","17","4868","","10.1021/om400610k","","x-ray","0.71073","MoKα","","0.0637","0.0512","","","0.0912","0.0956","","","","","","1.054","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081342","8.7589","0.0004","18.6819","0.0009","22.0981","0.001","90","","90","","90","","3616","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H52 Al O P -","- C41 H52 Al O P -","- C164 H208 Al4 O4 P4 -","4","1","","Uhl, Werner; Appelt, Christian","Reactions of an Al‒P-Based Frustrated Lewis Pair with Carbonyl Compounds: Dynamic Coordination of Benzaldehyde, Activation of Benzoyl Chloride, and Al‒C Bond Cleavage with Benzamide","Organometallics","2013","32","18","5008","","10.1021/om400620h","","","1.54178","CuKα","","0.0521","0.0467","","","0.1184","0.1218","","","","","","1.037","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4081349","13.079","0.003","15.663","0.003","15.731","0.003","90","","90","","90","","3222.6","1.1","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Cl2 Fe N2 O4 -","- C34 H38 Cl2 Fe N2 O4 -","- C136 H152 Cl8 Fe4 N8 O16 -","4","1","","César, Vincent; Misal Castro, Luis C.; Dombray, Thomas; Sortais, Jean-Baptiste; Darcel, Christophe; Labat, Stéphane; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","(Cyclopentadienyl)iron(II) Complexes of N-Heterocyclic Carbenes Bearing a Malonate or Imidate Backbone: Synthesis, Structure, and Catalytic Potential in Hydrosilylation","Organometallics","2013","32","16","4643","","10.1021/om400625q","","x-ray","0.71073","MoKα","","0.023","0.0222","","","0.0588","0.0594","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081361","9.716","0.00001","16.0141","0.0001","29.1646","0.0002","90","","90","","90","","4537.81","0.04","123","1","123","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H46 F6 Fe O P4 -","- C46 H46 F6 Fe O P4 -","- C184 H184 F24 Fe4 O4 P16 -","4","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Balázs, Gábor; Bodensteiner, Michael","Tuning the Dissociation of the Fe‒PPh2(OR) Bond in Chiral-at-Metal Complexes [CpFe(Prophos)PPh2(OR)]PF6(R = Me, Et,iPr,tBu). The Preparative Trick of N2Bubbling","Organometallics","2013","32","17","4904","","10.1021/om400631m","","x-ray","1.54178","CuKα","","0.026","0.026","","","0.066","0.0661","","","","","","1.043","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081362","9.8728","0.0002","14.7452","0.0003","31.4174","0.0005","90","","90","","90","","4573.63","0.15","123","1","123","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H48 F6 Fe O P4 -","- C47 H48 F6 Fe O P4 -","- C188 H192 F24 Fe4 O4 P16 -","4","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Balázs, Gábor; Bodensteiner, Michael","Tuning the Dissociation of the Fe‒PPh2(OR) Bond in Chiral-at-Metal Complexes [CpFe(Prophos)PPh2(OR)]PF6(R = Me, Et,iPr,tBu). The Preparative Trick of N2Bubbling","Organometallics","2013","32","17","4904","","10.1021/om400631m","","x-ray","1.54184","CuKα","","0.0449","0.0356","","","0.0795","0.0832","","","","","","1.016","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081363","10.594","0.005","19.124","0.005","20.771","0.005","90","","90","","90","","4208","2","173","2","173","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H42 F6 Fe P4 -","- C44 H42 F6 Fe P4 -","- C176 H168 F24 Fe4 P16 -","4","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Balázs, Gábor; Bodensteiner, Michael","Tuning the Dissociation of the Fe‒PPh2(OR) Bond in Chiral-at-Metal Complexes [CpFe(Prophos)PPh2(OR)]PF6(R = Me, Et,iPr,tBu). The Preparative Trick of N2Bubbling","Organometallics","2013","32","17","4904","","10.1021/om400631m","","x-ray","0.71073","MoKα","","0.158","0.0769","","","0.1142","0.1409","","","","","","1.043","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081389","10.124","0.002","17.374","0.003","22.971","0.005","90","","90","","90","","4040.5","1.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 Cl2 F6 N5 O3 P2 Ru -","- C37 H39 Cl2 F6 N5 O3 P2 Ru -","- C148 H156 Cl8 F24 N20 O12 P8 Ru4 -","4","1","","Kraack, Marianne; Harms, Klaus; Meggers, Eric","Reductive Labilization of a Cyclometalating Ligand Applied to Auxiliary-Mediated Asymmetric Coordination Chemistry","Organometallics","2013","32","18","5103","","10.1021/om4006627","","","0.71073","MoKα","","0.0504","0.0351","","","0.0589","0.0629","","","","","","0.998","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081390","13.6846","0.0014","14.8157","0.0018","28.691","0.004","90","","90","","90","","5817","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H67 B N6 O4 Ru -","- C68 H67 B N6 O4 Ru -","- C272 H268 B4 N24 O16 Ru4 -","4","1","","Kraack, Marianne; Harms, Klaus; Meggers, Eric","Reductive Labilization of a Cyclometalating Ligand Applied to Auxiliary-Mediated Asymmetric Coordination Chemistry","Organometallics","2013","32","18","5103","","10.1021/om4006627","","","0.71073","MoKα","","0.2344","0.0569","","","0.0895","0.1418","","","","","","0.587","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081412","10.8311","0.0005","17.7548","0.0007","18.5429","0.0007","90","","90","","90","","3565.9","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","{[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyl} tin(IV)dichloroselenophenolate","","- C28 H44 Cl2 O6 P2 Se Sn -","- C28 H44 Cl2 O6 P2 Se Sn -","- C112 H176 Cl8 O24 P8 Se4 Sn4 -","4","1","","Wagner, Michael; Dietz, Christina; Bouška, Marek; Dostál, Libor; Padĕlková, Zdeňka; Jambor, Roman; Jurkschat, Klaus","Reactivity of Organotin(I) Dimers RSnSnR (R = 2,6-(Me2NCH2)2C6H3, 4-t-Bu-2,6-{P(O)(O-i-Pr)2}2C6H2) with Diaryl Dichalcogenides, ArEEAr (E = S, Se, Te; Ar = Ph, 2-C5H4N): Control of Secondary Sn···Sn Interactions by Intramolecular Coordination and Identity of the Aryl Chalcogenate","Organometallics","2013","32","17","4973","","10.1021/om400694z","","","0.71073","MoKα","","0.0458","0.0308","","","0.0586","0.0601","","","","","","0.879","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081435","10.1007","0.0004","14.768","0.0005","20.7811","0.0006","90","","90","","90","","3099.86","0.18","115","1","115","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 N Ni P2 -","- C31 H53 N Ni P2 -","- C124 H212 N4 Ni4 P8 -","4","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","1.5418","CuKα","","0.0305","0.025","","","0.0553","0.0588","","","","","","1.025","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081483","11.4441","0.0005","14.931","0.001","17.1827","0.0008","90","","90","","90","","2936","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1-Fluorido-1-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)- 3,3,14,14-tetramethyl-3,14-disila-1-stanna[5,5]- ferrocenophane","","- C26 H43 F Fe O4 Si2 Sn -","- C26 H43 F Fe O4 Si2 Sn -","- C104 H172 F4 Fe4 O16 Si8 Sn4 -","4","1","","Wendji, Anicet Siakam; Lutter, Michael; Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Novel Tin-Containing Crown Ether Substituted Ferrocenophanes as Redox-Active Hosts for the Ditopic Complexation of Lithium Chloride","Organometallics","2013","32","20","5720","","10.1021/om400219r","","","0.71073","MoKα","","0.0492","0.0359","","","0.0623","0.064","","","","","","0.905","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081513","13.1651","0.0004","14.3393","0.0004","26.7028","0.0007","90","","90","","90","","5040.9","0.2","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C36 H23 Al Cl3 F36 Fe N O4 Sn -","- C36 H23 Al Cl3 F36 Fe N O4 Sn -","- C144 H92 Al4 Cl12 F144 Fe4 N4 O16 Sn4 -","4","1","","Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder","Stereoselective Ortho Borylation of Pyridylferrocenes","Organometallics","2013","32","20","5843","","10.1021/om400426g","","","1.54178","CuKα","","0.068","0.065","","","0.164","0.166","","","","","","1.03","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081535","6.0771","0.0004","11.3578","0.0005","24.8096","0.001","90","","90","","90","","1712.42","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-2-Ferrocenyl-(3a,4,5,6,7,7a-octahydro-1,3-dimethyl- 1,3,2-benzodiaza-phosphol)-2-oxid","","- C18 H25 Fe N2 O P -","- C18 H25 Fe N2 O P -","- C72 H100 Fe4 N8 O4 P4 -","4","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0393","0.0269","","","0.0512","0.0526","","","","","","0.8","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081536","6.0784","0.0002","11.3791","0.0004","24.8126","0.0008","90","","90","","90","","1716.21","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3aS,7aS)-2-Ferrocenyl-(3a,4,5,6,7,7a-octahydro-1,3-dimethyl- 1,3,2-benzodiaza-phosphol)-2-oxid","","- C18 H25 Fe N2 O P -","- C18 H25 Fe N2 O P -","- C72 H100 Fe4 N8 O4 P4 -","4","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0295","0.0244","","","0.0569","0.058","","","","","","0.833","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081538","10.3984","0.0006","14.8438","0.001","21.1129","0.0013","90","","90","","90","","3258.8","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-[(RFc)-(2-Triphenylstannyl)ferrocenyl]-(3a,4,5,6,7,7a- octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C36 H39 Fe N2 O P Sn -","- C36 H39 Fe N2 O P Sn -","- C144 H156 Fe4 N8 O4 P4 Sn4 -","4","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0499","0.0355","","","0.0677","0.0711","","","","","","0.973","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081542","10.3324","0.0003","14.698","0.0004","35.9428","0.001","90","","90","","90","","5458.5","0.3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-[(RFc)-(2-Diiodidomonophenylstannyl)ferrocenyl]- (3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C24 H29 Fe I2 N2 O P Sn -","- C24 H29 Fe I2 N2 O P Sn -","- C192 H232 Fe8 I16 N16 O8 P8 Sn8 -","8","2","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0496","0.0376","","","0.0479","0.0495","","","","","","0.935","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081543","8.3964","0.0002","15.6834","0.0004","21.3063","0.0005","90","","90","","90","","2805.7","0.12","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-[(RFc)-(2-Triiodidostannyl)ferrocenyl]- (3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C19.5 H27 Fe I3 N2 O1.5 P Sn -","- C18 H24 Fe I3 N2 O P Sn -","- C72 H96 Fe4 I12 N8 O4 P4 Sn4 -","4","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0391","0.0352","","","0.1006","0.1022","","","","","","0.931","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081544","9.7724","0.0002","15.4943","0.0004","20.6467","0.0006","90","","90","","90","","3126.25","0.14","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-[(RFc)-(2-Monofluoridodiphenylstannyl)ferrocenyl]- (3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C33 H40 F Fe N2 O2 P Sn -","- C30 H34 F Fe N2 O P Sn -","- C120 H136 F4 Fe4 N8 O4 P4 Sn4 -","4","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0287","0.0246","","","0.0525","0.0532","","","","","","0.812","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081546","9.3012","0.0003","15.1012","0.0006","32.8178","0.0013","90","","90","","90","","4609.6","0.3","173","2","173","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-[(RFc)-(2-Diphenyl(triphenylphosphine oxide)stannyl) ferrocenyl]-(3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2- benzodiaza-phosphol)-2-oxid triflate","","- C49 H49 F3 Fe N2 O5 P2 S Sn -","- C49 H49 F3 Fe N2 O5 P2 S Sn -","- C196 H196 F12 Fe4 N8 O20 P8 S4 Sn4 -","4","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0487","0.0363","","","0.0674","0.0712","","","","","","0.978","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081568","9.3889","0.0002","11.2996","0.0002","44.7144","0.0008","90","","90","","90","","4743.79","0.16","123","","123","","","","","","","","see text","8","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 B2 F8 Fe2 Mo2 N6 O4 -","- C34 H36 B2 F8 Fe2 Mo2 N6 O4 -","- C136 H144 B8 F32 Fe8 Mo8 N24 O16 -","4","1","","Cai, Xu-Min; Höhne, Dominik; Köberl, Mathias; Cokoja, Mirza; Pöthig, Alexander; Herdtweck, Eberhardt; Haslinger, Stefan; Herrmann, Wolfgang A.; Kühn, Fritz E.","Synthesis and Characterization of Dimolybdenum(II) Complexes Connected by Carboxylate Linkers","Organometallics","2013","32","20","6004","","10.1021/om400518f","","x-ray","0.71073","MoKα","","0.0731","0.0524","","","0.1114","0.1182","","","","","","1.042","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081579","8.0972","0.0005","15.1917","0.0009","20.7875","0.0012","90","","90","","90","","2557.1","0.3","153","2","153","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 Fe Ru -","- C30 H38 Fe Ru -","- C120 H152 Fe4 Ru4 -","4","1","","Malberg, Jennifer; Lupton, Elizabeth; Schnöckelborg, Eva-Maria; de Bruin, Bas; Sutter, Jörg; Meyer, Karsten; Hartl, František; Wolf, Robert","Synthesis and Electronic Structure of Dissymmetrical, Naphthalene-Bridged Sandwich Complexes [Cp′Fe(μ-C10H8)MCp*]x(x= 0, +1; M = Fe, Ru; Cp′ = η5-C5H2-1,2,4-tBu3; Cp* = η5-C5Me5)","Organometallics","2013","32","20","6040","","10.1021/om4005862","","","0.71073","MoKα","","0.0335","0.0302","","","0.0725","0.0741","","","","","","1.053","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081581","18.551","0.018","19.415","0.014","21.83","0.02","90","","90","","90","","7862","12","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C128 H154 Au4 Cl8 Fe2 O43 P4 S4 -","- C128 H140 Au4 Cl8 Fe2 O43 P4 S4 -","- C256 H280 Au8 Cl16 Fe4 O86 P8 S8 -","2","0.5","","Goitia, Helen; Nieto, Yolanda; Villacampa, M. Dolores; Kasper, Cornelia; Laguna, Antonio; Gimeno, M. Concepción","Antitumoral Gold and Silver Complexes with Ferrocenyl-Amide Phosphines","Organometallics","2013","32","20","6069","","10.1021/om400633z","","","0.71073","MoKα","","0.0934","0.0605","","","0.1539","0.1756","","","","","","1.051","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081604","8.5417","0.0002","17.8892","0.0003","27.2391","0.0019","90","","90","","90","","4162.2","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 Cl9 Ir2 N4 -","- C35 H41 Cl9 Ir2 N4 -","- C140 H164 Cl36 Ir8 N16 -","4","1","","Graeupner, Jonathan; Hintermair, Ulrich; Huang, Daria L.; Thomsen, Julianne M.; Takase, Mike; Campos, Jesús; Hashmi, Sara M.; Elimelech, Menachem; Brudvig, Gary W.; Crabtree, Robert H.","Probing the Viability of Oxo-Coupling Pathways in Iridium-Catalyzed Oxygen Evolution","Organometallics","2013","32","19","5384","","10.1021/om400658a","","","0.71073","MoKα","","0.0192","0.0179","","","0.0401","0.0405","","","","","","1.005","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081606","11.7642","0.0002","14.7736","0.0002","19.4188","0.0003","90","","90","","90","","3374.98","0.09","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Cl2 I2 O P2 W -","- C34 H32 Cl2 I2 O P2 W -","- C136 H128 Cl8 I8 O4 P8 W4 -","4","1","","Chacko, Aneesh; Idem, Ubong R.; Bains, Chatin H.; Mihichuk, Lynn M.; East, Allan L. L.","Bite Angle Effects of κ2P-dppm vs κ2P-dppe in Seven-Coordinate Complexes: A DFT Case Study","Organometallics","2013","32","19","5374","","10.1021/om400667t","","","0.71073","MoKα","","0.065","0.0408","","","0.0634","0.0707","","","","","","1.07","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081659","10.2715","0.0001","12.30103","0.00008","17.3992","0.0001","90","","90","","90","","2198.39","0.03","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22.97 Br0.03 Fe N O2 -","- C29 H22.9715 Br0.0285 Fe N O2 -","- C116 H91.886 Br0.114 Fe4 N4 O8 -","4","1","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","1.54184","CuKα","","0.0285","0.028","","","0.0738","0.0739","","","","","","1.083","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081821","10.557","0.004","11.625","0.004","19.462","0.007","90","","90","","90","","2388.5","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Iridium-NHC complex","","","- C50 H56 Cl2 Ir2 N4 S4 -","- C50 H56 Cl2 Ir2 N4 S4 -","- C100 H112 Cl4 Ir4 N8 S8 -","2","0.5","","Karthik, Vedhagiri; Bhat, Irshad Ahmad; Anantharaman, Ganapathi","Backbone Thio-Functionalized Imidazol-2-ylidene‒Metal Complexes: Synthesis, Structure, Electronic Properties, and Catalytic Activity","Organometallics","2013","32","23","7006","","10.1021/om400585b","","","0.71073","MoKα","","0.0442","0.0405","","","0.0939","0.0957","","","","","","1.072","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081840","12.9999","0.0004","13.803","0.0004","15.2522","0.0003","90","","90","","90","","2736.82","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Cl Ir N2 -","- C31 H32 Cl Ir N2 -","- C124 H128 Cl4 Ir4 N8 -","4","1","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.0457","0.0355","","","0.0786","0.1037","","","","","","1.203","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081845","12.9999","0.0004","13.803","0.0004","15.2522","0.0003","90","","90","","90","","2736.82","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Cl Ir N2 -","- C31 H32 Cl Ir N2 -","- C124 H128 Cl4 Ir4 N8 -","4","1","","Barloy, Laurent; Féghali, Elias; Henry, Marc; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Serendipitous Self-Assembly of Cyclometalated Complexes through Hydrogen Bonds: Dimers or Chains within Compact or Porous Networks","Organometallics","2013","32","21","6195","","10.1021/om400627v","","","0.71073","MoKα","","0.0457","0.0355","","","0.0786","0.1037","","","","","","1.203","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081858","8.605","0.0005","14.4373","0.0008","21.6605","0.0012","90","","90","","90","","2690.9","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 B F4 N O P -","- C27 H37 B F4 N O P -","- C108 H148 B4 F16 N4 O4 P4 -","4","1","","Wheaton, Craig A.; Bow, John-Paul J.; Stradiotto, Mark","New Phosphine-Functionalized NHC Ligands: Discovery of an Effective Catalyst for the Room-Temperature Amination of Aryl Chlorides with Primary and Secondary Amines","Organometallics","2013","32","21","6148","","10.1021/om400684n","","","0.71073","MoKα","","0.05","0.0414","","","0.1098","0.116","","","","","","1.062","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081864","5.294","0.0005","12.1478","0.0012","28.785","0.003","90","","90","","90","","1851.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 B F3 N O5 S -","- C15 H23 B F3 N O5 S -","- C60 H92 B4 F12 N4 O20 S4 -","4","1","","Harlow, Gregory P.; Zakharov, Lev N.; Wu, Gang; Liu, Shih-Yuan","Thermodynamically Controlled, Dynamic Binding of Diols to a 1,2-BN Cyclohexane Derivative","Organometallics","2013","32","22","6650","","10.1021/om400697r","","","0.71073","MoKα","","0.0399","0.0334","","","0.075","0.0779","","","","","","1.042","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081937","5.3","0.0003","10.432","0.0007","25.121","0.0018","90","","90","","90","","1388.93","0.16","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N3 O2 Pt -","- C13 H17 N3 O2 Pt -","- C52 H68 N12 O8 Pt4 -","4","1","","Kluge, Tim; Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Wagner, Christoph; Ströhl, Dieter; Schmidt, Jürgen; Steinborn, Dirk","Activation of Acetyl Ligands through Hydrogen Bonds: A New Way to Platinum(II) Complexes Bearing Protonated Iminoacetyl Ligands","Organometallics","2013","32","23","7090","","10.1021/om400812w","","","0.71073","MoKα","","0.0431","0.0355","","","0.0987","0.1098","","","","","","1.076","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081968","10.379","0.006","17.822","0.009","19.778","0.01","90","","90","","90","","3658","3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H57 B N4 -","- C41 H57 B N4 -","- C164 H228 B4 N16 -","4","1","","Xie, Liang; Zhang, Jianying; Hu, Hongfan; Cui, Chunming","Synthesis and Reactions of π-Conjugated Iminoboranes Stabilized by Intramolecular Imine Groups","Organometallics","2013","32","23","6875","","10.1021/om4008407","","","0.71073","MoKα","","0.0522","0.0415","","","0.0848","0.0894","","","","","","0.979","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081973","14.0317","0.0015","14.4466","0.0013","17.2481","0.0018","90","","90","","90","","3496.4","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 Ru -","- C21 H22 N2 Ru -","- C168 H176 N16 Ru8 -","8","2","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0725","0.044","","","0.0597","0.0679","","","","","","1.011","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4082010","17.5558","0.0012","17.556","","26.847","0.002","90","","90","","90","","8274.5","0.8","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C86 H108 Al2 Cl Cr N2 P4 -","- C86 H108 Al2 Cl Cr N2 P4 -","- C344 H432 Al8 Cl4 Cr4 N8 P16 -","4","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand","Organometallics","2013","32","23","7204","","10.1021/om4008828","","","0.71073","MoKα","","0.0623","0.0505","","","0.1324","0.1424","","","","","","1.03","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082013","10.18626","0.00015","13.50136","0.00019","25.5064","0.0003","90","","90","","90","","3507.85","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H57 B10 N5 O -","- C27 H57 B10 N5 O -","- C108 H228 B40 N20 O4 -","4","1","","Mindich, Aleksey L.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Starova, Galina L.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Miltsov, Serguei A.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","Borylated Tetrazoles from Cycloaddition of Azide Anions to Nitrilium Derivatives ofcloso-Decaborate Clusters","Organometallics","2013","32","21","6576","","10.1021/om400892x","","","1.54184","CuKα","","0.0335","0.0321","","","0.0863","0.0879","","","","","","1.028","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082018","9.9004","0.0017","13.29","0.002","17.87","0.003","90","","90","","90","","2351.3","0.7","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 B Cl3 N2 Zr -","- C20 H30 B Cl3 N2 Zr -","- C80 H120 B4 Cl12 N8 Zr4 -","4","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0505","0.0395","","","0.0939","0.1","","","","","","1.031","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082040","9.567","0.001","17.2141","0.0012","33.433","0.002","90","","90","","90","","5506","0.8","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 Cl N4 O Rh -","- C25.5 H30 Cl N4 O Rh -","- C204 H240 Cl8 N32 O8 Rh8 -","8","2","","Turek, Jan; Panov, Illia; Horáček, Michal; Černošek, Zdeněk; Padělková, Zdeňka; Růžička, Aleš","Amino Group Functionalized N-Heterocyclic 1,2,4-Triazole-Derived Carbenes: Structural Diversity of Rhodium(I) Complexes","Organometallics","2013","32","23","7234","","10.1021/om400912s","","","0.71073","MoKα","","0.0495","0.0386","","","0.0679","0.0713","","","","","","1.059","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082062","13.976","0.003","21.636","0.004","26.011","0.005","90","","90","","90","","7865","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H80 Li2 O12 P2 Pd2 S2 -","- C66 H80 Li2 O12 P2 Pd2 S2 -","- C264 H320 Li8 O48 P8 Pd8 S8 -","4","1","","Lau, Ka-Cheong; Petro, Benjamin J.; Bontemps, Sébastien; Jordan, Richard F.","Comparative Reactivity of Zr‒ and Pd‒Alkyl Complexes with Carbon Dioxide","Organometallics","2013","32","23","6895","","10.1021/om401082k","","","0.71073","MoKα","","0.0994","0.0548","","","0.0924","0.1015","","","","","","0.781","","","","has coordinates","204123","2020-10-21","18:00:00",""
"4082090","10.616","0.006","17.064","0.01","22.178","0.013","90","","90","","90","","4018","4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H55 Cl2 N2 O2 Sc -","- C39 H55 Cl2 N2 O2 Sc -","- C156 H220 Cl8 N8 O8 Sc4 -","4","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.1074","0.0496","","","0.0739","0.0816","","","","","","1.071","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082125","9.936","0.0019","16.588","0.003","20.836","0.004","90","","90","","90","","3434.2","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 Cl3 F6 N4 P Ru -","- C30 H38 Cl3 F6 N4 P Ru -","- C120 H152 Cl12 F24 N16 P4 Ru4 -","4","1","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene","Organometallics","2013","32","24","7376","","10.1021/om4009185","","","0.71073","MoKα","","0.0384","0.0319","","","0.0746","0.0794","","","","","","1.064","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082128","11.952","0.0019","15.533","0.003","18.866","0.003","90","","90","","90","","3502.5","1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 Cl3 F6 Ir N4 P -","- C30 H39 Cl3 F6 Ir N4 P -","- C120 H156 Cl12 F24 Ir4 N16 P4 -","4","1","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene","Organometallics","2013","32","24","7376","","10.1021/om4009185","","","0.71073","MoKα","","0.018","0.0165","","","0.0401","0.0407","","","","","","1.049","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082156","11.0755","0.0012","11.5237","0.0011","20.814","0.002","90","","90","","90","","2656.5","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 As F7 O3 Pt S -","- C27 H22 As F7 O3 Pt S -","- C108 H88 As4 F28 O12 Pt4 S4 -","4","1","","Mirzadeh, Nedaossadat; Privér, Steven H.; Bennett, Martin A.; Wagler, Jörg; Bhargava, Suresh K.","Divalent Platinum Complexes of the Carbanion 2-C6F4AsPh2: Monodentate or Bidentate Coordination?","Organometallics","2013","32","24","7451","","10.1021/om400961z","","","0.71073","MoKα","","0.0289","0.0247","","","0.0486","0.0496","","","","","","0.968","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082158","10.7508","0.0006","11.5678","0.0006","20.649","0.001","90","","90","","90","","2568","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 As F10 P Pt -","- C26 H22 As F10 P Pt -","- C104 H88 As4 F40 P4 Pt4 -","4","1","","Mirzadeh, Nedaossadat; Privér, Steven H.; Bennett, Martin A.; Wagler, Jörg; Bhargava, Suresh K.","Divalent Platinum Complexes of the Carbanion 2-C6F4AsPh2: Monodentate or Bidentate Coordination?","Organometallics","2013","32","24","7451","","10.1021/om400961z","","","0.71073","MoKα","","0.016","0.0151","","","0.034","0.0342","","","","","","1.036","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082179","7.9755","0.0006","12.7425","0.0008","24.261","0.002","90","","90","","90","","2465.6","0.3","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","MesNHC-Pd","","","- C22 H25 Cl2 N3 O Pd S -","- C22 H25 Cl2 N3 O Pd S -","- C88 H100 Cl8 N12 O4 Pd4 S4 -","4","1","","Tato, Francisco; Garc\?ía-Dom\?ínguez, Andrés; Cárdenas, Diego J.","Palladium-Catalyzed Acetoxylation of Arenes by Novel Sulfinyl N-Heterocyclic Carbene Ligand Complexes","Organometallics","2013","32","24","7487","","10.1021/om400981x","","","0.71073","","","0.0477","0.0381","","","0.1077","0.123","","","","","","1.074","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082188","9.6175","0.0007","14.9363","0.0011","18.0693","0.0013","90","","90","","90","","2595.7","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 F5 N2 Zn -","- C27 H35 F5 N2 Zn -","- C108 H140 F20 N8 Zn4 -","4","1","","Jochmann, Phillip; Stephan, Douglas W.","Reactions of CO2with Heteroleptic Zinc and Zinc‒NHC Complexes","Organometallics","2013","32","24","7503","","10.1021/om401000s","","","0.71073","MoKα","","0.045","0.0381","","","0.0949","0.0986","","","","","","1.005","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082193","16.6135","0.0002","17.1813","0.0002","19.3943","0.0002","90","","90","","90","","5535.94","0.11","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","C5Me5Ti(PhDIPA)(NOtBu)","","- C27 H43 N3 O Ti -","- C27 H43 N3 O Ti -","- C216 H344 N24 O8 Ti8 -","8","2","","Groom, Laura R.; Schwarz, Andrew D.; Nova, Ainara; Clot, Eric; Mountford, Philip","Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titaniumtert-Butoxyimido Compound","Organometallics","2013","32","24","7520","","10.1021/om401008a","","","0.71073","MoKα","","0.0897","0.0531","","0.1035","0.0571","0.052","","","","","","1.0998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082196","8.46178","0.00011","10.8796","0.00015","15.6091","0.0002","90","","90","","90","","1436.99","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","PhC(NOtBu)Ph","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Groom, Laura R.; Schwarz, Andrew D.; Nova, Ainara; Clot, Eric; Mountford, Philip","Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titaniumtert-Butoxyimido Compound","Organometallics","2013","32","24","7520","","10.1021/om401008a","","","1.54184","CuKα","","0.031","0.0301","","0.0329","0.0323","0.0322","","","","","","0.9227","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082217","19.8497","0.0009","20.6112","0.0009","33.6302","0.0016","90","","90","","90","","13759","1.1","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H72 N4 O12 Os3 Pd2 -","- C66 H72 N4 O12 Os3 Pd2 -","- C528 H576 N32 O96 Os24 Pd16 -","8","2","","Liu, Yu; Ganguly, Rakesh; Huynh, Han Vinh; Leong, Weng Kee","Palladium‒Osmium Heterometallic Clusters Containing N-Heterocyclic Carbene Ligands","Organometallics","2013","32","24","7559","","10.1021/om401031h","","","0.71073","MoKα","","0.0701","0.0456","","","0.1057","0.128","","","","","","1.101","","","","has coordinates,has disorder","178711","2020-10-21","18:00:00",""
"4082256","8.7295","0.0001","13.9371","0.0002","17.032","0.0002","90","","90","","90","","2072.18","0.05","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H33 Cl Ni O2 P2 -","- C15 H33 Cl Ni O2 P2 -","- C60 H132 Cl4 Ni4 O8 P8 -","4","1","","Pandarus, Valerica; Zargarian, Davit","New Pincer-Type Diphosphinito (POCOP) Complexes of Nickel","Organometallics","2007","26","17","4321","","10.1021/om700400x","","","1.54178","CuKα","","0.0447","0.0417","","","0.09","0.0915","","","","","","1.013","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082282","10.4723","0.0006","14.5591","0.0007","17.0061","0.0009","90","","90","","90","","2592.9","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 B Ir N7 -","- C26 H37 B Ir N7 -","- C104 H148 B4 Ir4 N28 -","4","1","","Vattier, Florencia; Salazar, Verónica; Paneque, Margarita; Poveda, Manuel L.; Álvarez, Eleuterio","Tautomerization of Pyridine and 2-Substituted Pyridines to Pyridylidene Ligands by the Iridium(I)‒Diene Complex TpMe2Ir(η4-CH2═C(Me)C(Me)═CH2)","Organometallics","2014","33","2","498","","10.1021/om400968s","","","0.71073","MoKα","","0.0913","0.0549","","","0.1122","0.1267","","","","","","1.107","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082296","10.0479","0.0005","15.2051","0.0008","19.4815","0.0008","90","","90","","90","","2976.4","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H57 N4 P3 Ru -","- C24 H57 N4 P3 Ru -","- C96 H228 N16 P12 Ru4 -","4","1","","Sgro, Michael J.; Dahcheh, Fatme; Stephan, Douglas W.","Synthesis and Reactivity of Ruthenium Hydride Complexes Containing a Tripodal Aminophosphine Ligand","Organometallics","2014","33","2","578","","10.1021/om4011388","","","0.71073","MoKα","","0.066","0.043","","","0.0903","0.1006","","","","","","1.015","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082302","7.1813","0.0002","9.8395","0.0002","19.6244","0.0005","90","","90","","90","","1386.67","0.06","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O S2 -","- C14 H14 N2 O S2 -","- C56 H56 N8 O4 S8 -","4","1","","Sheeba, Mani Mary; Muthu Tamizh, Manoharan; Farrugia, Louis J.; Endo, Akira; Karvembu, Ramasamy","Chiral (η6-p-Cymene)ruthenium(II) Complexes Containing Monodentate Acylthiourea Ligands for Efficient Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2014","33","2","540","","10.1021/om4010548","","x-ray","0.71073","MoKα","","0.0219","0.0213","","","0.06","0.0602","","","","","","1.059","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082303","7.2294","0.0002","10.1019","0.0003","19.6732","0.0007","90","","90","","90","","1436.75","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O S -","- C16 H16 N2 O S -","- C64 H64 N8 O4 S4 -","4","1","","Sheeba, Mani Mary; Muthu Tamizh, Manoharan; Farrugia, Louis J.; Endo, Akira; Karvembu, Ramasamy","Chiral (η6-p-Cymene)ruthenium(II) Complexes Containing Monodentate Acylthiourea Ligands for Efficient Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2014","33","2","540","","10.1021/om4010548","","x-ray","0.71073","MoKα","","0.029","0.0258","","","0.0722","0.0734","","","","","","1.081","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082304","9.2537","0.0002","11.8065","0.0001","23.5051","0.0002","90","","90","","90","","2568.02","0.06","100","2","100","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 N2 O Ru S2 -","- C24 H28 Cl2 N2 O Ru S2 -","- C96 H112 Cl8 N8 O4 Ru4 S8 -","4","1","","Sheeba, Mani Mary; Muthu Tamizh, Manoharan; Farrugia, Louis J.; Endo, Akira; Karvembu, Ramasamy","Chiral (η6-p-Cymene)ruthenium(II) Complexes Containing Monodentate Acylthiourea Ligands for Efficient Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2014","33","2","540","","10.1021/om4010548","","x-ray","0.71073","MoKα","","0.0186","0.018","","","0.045","0.0452","","","","","","1.09","","","","has coordinates,has disorder","178712","2020-10-21","18:00:00",""
"4082305","9.3816","0.0002","11.0801","0.0002","23.9916","0.0004","90","","90","","90","","2493.9","0.08","100","2","100","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 N2 O2 Ru S -","- C24 H28 Cl2 N2 O2 Ru S -","- C96 H112 Cl8 N8 O8 Ru4 S4 -","4","1","","Sheeba, Mani Mary; Muthu Tamizh, Manoharan; Farrugia, Louis J.; Endo, Akira; Karvembu, Ramasamy","Chiral (η6-p-Cymene)ruthenium(II) Complexes Containing Monodentate Acylthiourea Ligands for Efficient Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2014","33","2","540","","10.1021/om4010548","","x-ray","0.71073","MoKα","","0.0163","0.0159","","","0.0407","0.0409","","","","","","1.035","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082306","9.3854","0.0002","12.0163","0.0003","23.3544","0.0005","90","","90","","90","","2633.86","0.1","100","2","100","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 N2 O Ru S -","- C26 H30 Cl2 N2 O Ru S -","- C104 H120 Cl8 N8 O4 Ru4 S4 -","4","1","","Sheeba, Mani Mary; Muthu Tamizh, Manoharan; Farrugia, Louis J.; Endo, Akira; Karvembu, Ramasamy","Chiral (η6-p-Cymene)ruthenium(II) Complexes Containing Monodentate Acylthiourea Ligands for Efficient Asymmetric Transfer Hydrogenation of Ketones","Organometallics","2014","33","2","540","","10.1021/om4010548","","x-ray","0.71073","MoKα","","0.0195","0.0178","","","0.0415","0.0418","","","","","","1.034","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082328","8.293","0.0004","14.0331","0.0007","15.2163","0.0007","90","","90","","90","","1770.82","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 Cl N2 Zn -","- C16 H29 Cl N2 Zn -","- C64 H116 Cl4 N8 Zn4 -","4","1","","Chilleck, Maren A.; Braun, Thomas; Braun, Beatrice; Mebs, Stefan","Neutral and Cationic Zinc Complexes with N- and S-Donor-Functionalized Cyclopentadienyl Ligands","Organometallics","2014","33","2","551","","10.1021/om401076g","","","0.71073","MoKα","","0.0363","0.0324","","","0.0785","0.0801","","","","","","1.043","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082330","9.768","0.0005","16.7346","0.001","21.5019","0.0013","90","","90","","90","","3514.8","0.3","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 Cl2 F6 Ga N2 Sb -","- C33 H50 Cl2 F6 Ga N2 Sb -","- C132 H200 Cl8 F24 Ga4 N8 Sb4 -","4","1","","Bour, Christophe; Monot, Julien; Tang, Shun; Guillot, Régis; Farjon, Jonathan; Gandon, Vincent","Structure, Stability, and Catalytic Activity of Fluorine-Bridged Complexes IPr·GaCl2(μ-F)EFn‒1(EFn‒= SbF6‒, PF6‒, or BF4‒)","Organometallics","2014","33","2","594","","10.1021/om4012054","","x-ray","0.71073","MoKα","","0.0682","0.0613","","","0.1757","0.1825","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082391","15.6888","0.0015","17.0438","0.0016","17.3043","0.0017","90","","90","","90","","4627.1","0.8","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H43 N3 O P2 Ru S2 -","- C56 H43 N3 O P2 Ru S2 -","- C224 H172 N12 O4 P8 Ru4 S8 -","4","1","","Komiyama, Yoko; Kuwabara, Junpei; Kanbara, Takaki","Deprotonation-Induced Structural Changes in SNS-Pincer Ruthenium Complexes with Secondary Thioamide Groups","Organometallics","2014","33","4","885","","10.1021/om400969p","","","0.71073","MoKα","","","0.0393","","","","0.0848","","","","","","1.022","","","","has coordinates","178712","2020-10-21","18:00:00",""
"4082422","13.1937","0.0015","13.586","0.0015","22.268","0.003","90","","90","","90","","3991.5","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H46 Co I N2 O2 Pd -","- C46 H46 Co I N2 O2 Pd -","- C184 H184 Co4 I4 N8 O8 Pd4 -","4","1","","Singh, Jatinder; Kumar, Dheeraj; Singh, Nem; Elias, Anil J.","New Chiral Palladacycles from an Unprecedented Cyclopalladation of Cyclobutadiene-Bound Phenyl Groups of Cobalt Sandwich Compounds","Organometallics","2014","33","4","1044","","10.1021/om500004n","","","0.71073","MoKα","","0.0207","0.0201","","","0.0483","0.0486","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082437","9.1754","0.0006","10.688","0.0008","37.842","0.003","90","","90","","90","","3711","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 B Cl3 F4 N4 O P Pd -","- C33 H37 B Cl3 F4 N4 O P Pd -","- C132 H148 B4 Cl12 F16 N16 O4 P4 Pd4 -","4","1","","Bravo, Maritza J.; Favier, Isabelle; Saffon, Nathalie; Ceder, Rosa M.; Muller, Guillermo; Gómez, Montserrat; Rocamora, Mercè","Efficient Palladium Catalysts Containing Original Imidazolium-Tagged Chiral Diamidophosphite Ligands for Asymmetric Allylic Substitutions in Neat Ionic Liquid","Organometallics","2014","33","3","771","","10.1021/om4011577","","","0.71073","MoKα","","0.0322","0.0298","","","0.0695","0.0707","","","","","","1.038","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082455","8.0502","0.0004","15.2648","0.0007","20.1562","0.001","90","","90","","90","","2476.9","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C18 H38 B F4 N Ni O2 P2 -","- C18 H38 B F4 N Ni O2 P2 -","- C72 H152 B4 F16 N4 Ni4 O8 P8 -","4","1","","Grabulosa, Arnald; Doran, Séan; Brandariz, Guillem; Muller, Guillermo; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Nickel(II) and Palladium(II) Complexes of the Small-Bite-Angle P-Stereogenic Diphosphine Ligand MaxPHOS and Its Monosulfide","Organometallics","2014","33","3","692","","10.1021/om400952y","","","0.71073","MoKα","","0.0394","0.0324","","","0.0713","0.0808","","","","","","1.053","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082459","10.7736","0.0008","17.6502","0.0013","21.3183","0.0015","90","","90","","90","","4053.8","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C27 H63 B Cl2 F4 N2 P4 Pd S2 -","- C27 H63 B Cl2 F4 N2 P4 Pd S2 -","- C108 H252 B4 Cl8 F16 N8 P16 Pd4 S8 -","4","1","","Grabulosa, Arnald; Doran, Séan; Brandariz, Guillem; Muller, Guillermo; Benet-Buchholz, Jordi; Riera, Antoni; Verdaguer, Xavier","Nickel(II) and Palladium(II) Complexes of the Small-Bite-Angle P-Stereogenic Diphosphine Ligand MaxPHOS and Its Monosulfide","Organometallics","2014","33","3","692","","10.1021/om400952y","","","0.71073","MoKα","","0.0363","0.0294","","","0.0649","0.0667","","","","","","1.055","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082464","10.37956","0.00008","15.57637","0.00013","19.28434","0.00014","90","","90","","90","","3117.81","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 B P2 Rh -","- C33 H46 B P2 Rh -","- C132 H184 B4 P8 Rh4 -","4","1","","Parker, Evelyne; Cramer, Nicolai","Asymmetric Rhodium(I)-Catalyzed C‒C Activations with Zwitterionic Bis-phospholane Ligands","Organometallics","2014","33","3","780","","10.1021/om4011627","","","1.54178","CuKα","","0.0233","0.0206","","","0.0511","0.0522","","","","","","1.036","","","","has coordinates","178713","2020-10-21","18:00:00",""
"4082487","11.248","0.0011","15.7888","0.0016","23.402","0.002","90","","90","","90","","4156","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37 H49 Cl3 F6 O3 P Ru Sb -","- C37 H49 Cl3 F6 O3 P Ru Sb -","- C148 H196 Cl12 F24 O12 P4 Ru4 Sb4 -","4","1","","Carmona, Daniel; Lamata, M. Pilar; Pardo, Pilar; Rodr\?íguez, Ricardo; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Alkorta, Ibon; Elguero, José; Oro, Luis A.","Arene‒Ruthenium Chemistry and Brønsted Acid Catalysis of a Chiral Phosphane-Hydroxyl Ligand","Organometallics","2014","33","3","616","","10.1021/om401215m","","","0.71073","MoKα","","0.1509","0.0895","","","0.1695","0.1984","","","","","","1.074","","","","has coordinates,has disorder","178713","2020-10-21","18:00:00",""
"4082562","10.1","0.002","11.2001","0.0012","15.725","0.002","90","","90","","90","","1778.8","0.5","291.15","","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Cl N2 O Pd -","- C20 H15 Cl N2 O Pd -","- C80 H60 Cl4 N8 O4 Pd4 -","4","1","","Wang, Tao; Hao, Xin-Qi; Huang, Juan-Juan; Wang, Kai; Gong, Jun-Fang; Song, Mao-Ping","Chiral CNN Pincer Palladium(II) Complexes with 2-Aryl-6-(oxazolinyl)pyridine Ligands: Synthesis, Characterization, and Application to Enantioselective Allylation of Isatins and Suzuki‒Miyaura Coupling Reaction","Organometallics","2014","33","1","194","","10.1021/om400945d","","","0.7107","MoKα","","0.0311","0.0268","","","0.0486","0.0504","","","","","","1.019","","","","has coordinates","178714","2020-10-21","18:00:00",""
"4082565","12.804","0.0004","13.5812","0.0004","24.3928","0.0005","90","","90","","90","","4241.8","0.2","291","2","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24.5 H18 Cl2 N2 O Pd -","- C24.5 H18 Cl2 N2 O Pd -","- C196 H144 Cl16 N16 O8 Pd8 -","8","2","","Wang, Tao; Hao, Xin-Qi; Huang, Juan-Juan; Wang, Kai; Gong, Jun-Fang; Song, Mao-Ping","Chiral CNN Pincer Palladium(II) Complexes with 2-Aryl-6-(oxazolinyl)pyridine Ligands: Synthesis, Characterization, and Application to Enantioselective Allylation of Isatins and Suzuki‒Miyaura Coupling Reaction","Organometallics","2014","33","1","194","","10.1021/om400945d","","","0.7107","MoKα","","0.0702","0.0437","","","0.057","0.0633","","","","","","1.005","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4082661","11.455","0.0015","13.2465","0.0017","28.865","0.004","90","","90","","90","","4379.9","1","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","10121a","","","- C51 H53 B Cr N2 O3 P2 -","- C51 H53 B Cr N2 O3 P2 -","- C204 H212 B4 Cr4 N8 O12 P8 -","4","1","","Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P.","Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses","Organometallics","2014","33","5","1300","","10.1021/om5001056","","","0.71073","MoKα","","0.0475","0.0394","","","0.0982","0.1038","","","","","","1.097","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082685","4.6297","0.0004","12.1997","0.0009","18.5887","0.0012","90","","90","","90","","1049.91","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 B Br O2 -","- C12 H8 B Br O2 -","- C48 H32 B4 Br4 O8 -","4","1","","Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Yield Syntheses and Reactivity Studies of 1,2-Diborylated and 1,2,4,5-Tetraborylated Benzenes","Organometallics","2014","33","5","1291","","10.1021/om500104w","","","0.71073","MoKα","","0.0365","0.0339","","","0.0787","0.0796","","","","","","1.075","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082699","14.4641","0.0009","20.9734","0.0006","24.7791","0.0015","90","","90","","90","","7517","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C86 H72 Cl2 N4 O2 P4 Pd2 -","- C86 H72 Cl2 N4 O2 P4 Pd2 -","- C344 H288 Cl8 N16 O8 P16 Pd8 -","4","1","","Juribašić, Marina; Halasz, Ivan; Babić, Darko; Cinčić, Dominik; Plavec, Janez; Ćurić, Manda","Aging and Ball-Milling as Low-Energy and Environmentally Friendly Methods for the Synthesis of Pd(II) Photosensitizers","Organometallics","2014","33","5","1227","","10.1021/om500008v","","","1.5418","CuKα","","","0.1048","","","","0.2637","","","","","","1.03","","","","has coordinates","178715","2020-10-21","18:00:00",""
"4082703","8.8914","0.0015","14.057","0.002","16.137","0.003","90","","90","","90","","2016.9","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Br2 N2 Pd S -","- C19 H22 Br2 N2 Pd S -","- C76 H88 Br8 N8 Pd4 S4 -","4","1","","Bernhammer, Jan C.; Huynh, Han Vinh","Benzimidazolin-2-ylidene Complexes of Palladium(II) Featuring a Thioether Moiety: Synthesis, Characterization, Molecular Dynamics, and Catalytic Activities","Organometallics","2014","33","5","1266","","10.1021/om500083r","","","0.71073","MoKα","","0.0279","0.0253","","","0.0533","0.0539","","","","","","0.988","","","","has coordinates","178716","2020-10-21","18:00:00",""
"4082896","10.002","0.004","16.273","0.007","18.146","0.007","90","","90","","90","","2953","2","230","2","230","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 N4 O Zn2 -","- C27 H43 N4 O Zn2 -","- C108 H172 N16 O4 Zn8 -","4","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agust\?ín; Rodr\?íguez, Ana M.","Stereoselective ROP ofrac-Lactide Mediated by Enantiopure NNO-Scorpionate Zinc Initiators","Organometallics","2014","33","7","1859","","10.1021/om500207x","","","0.71073","MoKα","","0.1493","0.0547","","","0.0895","0.118","","","","","","0.96","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082897","12.1011","0.0013","16.3346","0.0016","16.7693","0.0016","90","","90","","90","","3314.7","0.6","230","2","230","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 N4 O2 Zn2 -","- C33 H48 N4 O2 Zn2 -","- C132 H192 N16 O8 Zn8 -","4","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agust\?ín; Rodr\?íguez, Ana M.","Stereoselective ROP ofrac-Lactide Mediated by Enantiopure NNO-Scorpionate Zinc Initiators","Organometallics","2014","33","7","1859","","10.1021/om500207x","","","0.71073","MoKα","","0.1069","0.05","","","0.074","0.09","","","","","","0.913","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082901","11.0633","0.0004","14.4288","0.0006","26.8755","0.0013","90","","90","","90","","4290.1","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 B F2 Fe N2 O -","- C25 H19 B F2 Fe N2 O -","- C200 H152 B8 F16 Fe8 N16 O8 -","8","2","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","Heteroatom-Connected Ferrocenyl BODIPYs: Synthesis, Structure, and Properties","Organometallics","2014","33","7","1867","","10.1021/om5002292","","","1.5418","CuKα","","0.0956","0.0619","","","0.1514","0.1823","","","","","","0.987","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082923","7.529","0.003","10.949","0.005","36.97","0.015","90","","90","","90","","3048","2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 Br2 N4 O3 Pd S -","- C28 H34 Br2 N4 O3 Pd S -","- C112 H136 Br8 N16 O12 Pd4 S4 -","4","1","","Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh","Template-Directed Synthesis of Palladium(II) Sulfonate-NHC Complexes and Catalytic Studies in Aqueous Mizoroki‒Heck Reactions","Organometallics","2014","33","7","1794","","10.1021/om500140g","","","0.71073","MoKα","","0.0405","0.036","","","0.0817","0.0835","","","","","","1.041","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082996","14.0898","0.0009","21.2062","0.0014","21.5404","0.0014","90","","90","","90","","6436.1","0.7","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C79 H72 Cl Ir N2 O0.5 -","- C79 H72 Cl Ir N2 O0.5 -","- C316 H288 Cl4 Ir4 N8 O2 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0307","","","","0.0894","","","","","","0.934","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4082997","14.4914","0.0011","21.245","0.0016","21.327","0.0016","90","","90","","90","","6565.9","0.9","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C79.5 H74 Cl Ir N2 O2 -","- C79.5 H74 Cl Ir N2 O2 -","- C318 H296 Cl4 Ir4 N8 O8 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0278","","","","0.0832","","","","","","1.054","","","","has coordinates","178718","2020-10-21","18:00:00",""
"4083001","10.9976","0.0009","13.7065","0.001","18.7135","0.0015","90","","90","","90","","2820.8","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42 N2 O2 Se -","- C29 H42 N2 O2 Se -","- C116 H168 N8 O8 Se4 -","4","1","","Nelson, David J.; Collado, Alba; Manzini, Simone; Meiries, Sebastien; Slawin, Alexandra M. Z.; Cordes, David B.; Nolan, Steven P.","Methoxy-FunctionalizedN-Heterocyclic Carbenes","Organometallics","2014","33","8","2048","","10.1021/om5001919","","","0.71075","MoKα","","","0.0194","","","","0.0462","","","","","","0.971","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083035","12.7779","0.001","19.4532","0.0015","20.8196","0.0016","90","","90","","90","","5175.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H42 Cl10 Ni P2 -","- C54.0004 H42.0004 Cl10.0012 Ni P2 -","- C216.002 H168.002 Cl40.0048 Ni4 P8 -","4","1","","Standley, Eric A.; Smith, Stacey J.; Müller, Peter; Jamison, Timothy F.","A Broadly Applicable Strategy for Entry into Homogeneous Nickel(0) Catalysts from Air-Stable Nickel(II) Complexes.","Organometallics","2014","33","8","2012","2018","10.1021/om500156q","","","0.71073","MoKα","","0.0351","0.0328","","","0.0927","0.0938","","","","","","1.059","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083046","7.1855","0.0002","13.2215","0.0004","23.3882","0.0008","90","","90","","90","","2221.95","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N2 Th -","- C25 H36 N2 Th -","- C100 H144 N8 Th4 -","4","1","","Hervé, Alexandre; Thuéry, Pierre; Ephritikhine, Michel; Berthet, Jean-Claude","Structural Diversity in Cyanido Thorocene Complexes","Organometallics","2014","33","8","2088","","10.1021/om500252v","","","0.71073","MoKα","","0.0311","0.0217","","","0.0513","0.0518","","","","","","1.025","","","","has coordinates,has disorder","178719","2020-10-21","18:00:00",""
"4083067","11.4142","0.0005","11.9809","0.0005","16.0939","0.0007","90","","90","","90","","2200.88","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H38 O4 Si2 -","- C18 H38 O4 Si2 -","- C72 H152 O16 Si8 -","4","1","","Arzumanyan, Ashot V.; Novikov, Roman A.; Terent’ev, Alexander O.; Platonov, Maxim M.; Lakhtin, Valentin G.; Arkhipov, Dmitry E.; Korlyukov, Alexander A.; Chernyshev, Vladimir V.; Fitch, Andrew N.; Zdvizhkov, Alexander T.; Krylov, Igor B.; Tomilov, Yury V.; Nikishin, Gennady I.","Nature Chooses Rings: Synthesis of Silicon-Containing Macrocyclic Peroxides","Organometallics","2014","33","9","2230","","10.1021/om500095x","","","0.71073","MoKα","","0.0422","0.0355","","","0.0792","0.0825","","","","","","1.062","","","","has coordinates","178719","2020-10-21","18:00:00",""
"4083144","13.146","0.0003","13.9307","0.0002","26.5845","0.0005","90","","90","","90","","4868.5","0.16","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,2'R)-bis-N-[alpha-{2-[1-benzyl(pyrrolidine-2-yl) carbonylamino]phenyl}benzylidene]glycinato-(N,N,N,O) nickel","","- C54 H52.97 N6 Ni2 O8.49 -","- C54 H52.972 N6 Ni2 O8.486 -","- C216 H211.888 N24 Ni8 O33.944 -","4","1","","Magdesieva, Tatiana V.; Levitskiy, Oleg A.; Grishin, Yuri K.; Ambartsumyan, Asmik A.; Paseshnichenko, Ksenia A.; Kolotyrkina, Natalia G.; Kochetkov, Konstantin A.","Chiral Nickel(II) Binuclear Complexes: Targeted Diastereoselective Electrosynthesis","Organometallics","2014","33","18","4639","","10.1021/om500034x","","","1.54186","CuKα","","0.0787","0.0543","","","0.1311","0.1506","","","","","","0.978","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083145","14.0814","0.0002","18.7855","0.0002","37.682","0.0006","90","","90","","90","","9967.9","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,2'S)-bis-N-[alpha-{2-[1-benzyl(pyrrolidine-2-yl) carbonylamino]phenyl}benzylidene]glycinato-(N,N,N,O) nickel","","- C55.52 H52.24 N6 Ni2 O6.6 -","- C55.5215 H52.24 N6 Ni2 O6.5985 -","- C444.172 H417.92 N48 Ni16 O52.788 -","8","2","","Magdesieva, Tatiana V.; Levitskiy, Oleg A.; Grishin, Yuri K.; Ambartsumyan, Asmik A.; Paseshnichenko, Ksenia A.; Kolotyrkina, Natalia G.; Kochetkov, Konstantin A.","Chiral Nickel(II) Binuclear Complexes: Targeted Diastereoselective Electrosynthesis","Organometallics","2014","33","18","4639","","10.1021/om500034x","","","1.54186","CuKα","","0.085","0.0598","","","0.1478","0.1601","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083162","9.75","0.002","13.894","0.003","26.77","0.005","90","","90","","90","","3626.4","1.3","173","","173","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37.75 H29.5 Cl1.5 F3 O3 P S Sn -","- C37.75 H29.5 Cl1.5 F3 O3 P S Sn -","- C151 H118 Cl6 F12 O12 P4 S4 Sn4 -","4","1","","Hupf, Emanuel; Lork, Enno; Mebs, Stefan; Beckmann, Jens","Intramolecularly Coordinated (6-(Diphenylphosphino)acenaphth-5-yl)stannanes. Repulsion vs Attraction of P- and Sn-Containing Substituents in theperiPositions","Organometallics","2014","33","10","2409","","10.1021/om500133a","","","0.71073","MoKα","","0.0333","0.0268","","","0.0614","0.064","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083174","11.1785","0.0013","17.563","0.002","25.343","0.003","90","","90","","90","","4975.5","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H69 Ir O6 -","- C54 H69 Ir O6 -","- C216 H276 Ir4 O24 -","4","1","","Serrano, Oracio; Nicasio-Collazo, Juan; Morales, Guadalupe; Alvarado-Monzón, J. Carlos; Torres-Huerta, Aarón; Höpfl, Herbert; López, Jorge A.; Esqueda, Ana C.","Synthesis and Characterization of [Ir(AcacBiMs)(COD)] and [cis-Ir(AcacBiMs)2(COE-OH)]","Organometallics","2014","33","10","2561","","10.1021/om500230k","","","0.71073","MoKα","","0.0803","0.0705","","","0.1605","0.1663","","","","","","1.138","","","","has coordinates,has disorder","178720","2020-10-21","18:00:00",""
"4083181","7.5186","0.0003","13.2135","0.0004","27.5125","0.0013","90","","90","","90","","2733.28","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Cl N2 -","- C14 H15 Cl N2 -","- C112 H120 Cl8 N16 -","8","2","","Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay","Reactions of Grignard Reagents with Nitrous Oxide","Organometallics","2014","33","10","2405","","10.1021/om500333y","","","1.54178","CuKα","","0.0756","0.0688","","","0.171","0.1841","","","","","","1.039","","","","has coordinates","178720","2020-10-21","18:00:00",""
"4083236","11.4823","0.0014","12.1707","0.0016","16.552","0.003","90","","90","","90","","2313.1","0.6","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 F4 Fe O -","- C26 H34 F4 Fe O -","- C104 H136 F16 Fe4 O4 -","4","1","","Roemer, Max; Heinrich, Darina; Kang, Youn Kyung; Chung, Young Keun; Lentz, Dieter","Bulky-Alkyl-Substituted Bis(trifluorovinyl)ferrocenes: Redox-Autocatalytic Formation of Fluorinated Ferrocenophanes","Organometallics","2012","31","4","1500","","10.1021/om2009765","","","0.71073","MoKα","","0.043","0.0337","","","0.0734","0.0775","","","","","","1.06","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083262","7.175","0.004","11.396","0.007","21.66","0.012","90","","90","","90","","1771.1","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 I N2 -","- C17 H25 I N2 -","- C68 H100 I4 N8 -","4","1","","Zhang, Jun; Qin, Xinke; Fu, Jun; Wang, Xiao; Su, Xiaolong; Hu, Fangle; Jiao, Jiajun; Shi, Min","Fine-Tunable 3,4-Dihydroquinazol-2-ylidene Carbenes: Synthesis, Rhodium(I) Complexes, and Reactivity","Organometallics","2012","31","23","8275","","10.1021/om300887y","","","0.71073","MoKα","","0.036","0.031","","","0.0746","0.0772","","","","","","1.025","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083265","12.3601","0.0002","14.9918","0.0002","24.2825","0.0003","90","","90","","90","","4499.55","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H59 B Cl Ir N2 -","- C54 H59 B Cl Ir N2 -","- C216 H236 B4 Cl4 Ir4 N8 -","4","1","","Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes","Organometallics","2012","31","17","6270","","10.1021/om300550k","","","0.71073","MoKα","","0.0399","0.0295","","","0.0507","0.0529","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083270","12.3057","0.0007","14.9864","0.0008","24.3301","0.0016","90","","90","","90","","4486.9","0.5","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H59 B Cl N2 Rh -","- C54 H59 B Cl N2 Rh -","- C216 H236 B4 Cl4 N8 Rh4 -","4","1","","Gray, Katherine; Page, Michael J.; Wagler, Jörg; Messerle, Barbara A.","Iridium(III) Cp* Complexes for the Efficient Hydroamination of Internal Alkynes","Organometallics","2012","31","17","6270","","10.1021/om300550k","","","0.71073","MoKα","","0.0519","0.0388","","","0.0769","0.0812","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083295","9.2541","0.0019","16.239","0.003","20.019","0.004","90","","90","","90","","3008.4","1","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 B Br Cl4 F4 N4 Ru -","- C25 H26 B Br Cl4 F4 N4 Ru -","- C100 H104 B4 Br4 Cl16 F16 N16 Ru4 -","4","1","","Bolje, Aljoša; Hohloch, Stephan; Urankar, Damijana; Pevec, Andrej; Gazvoda, Martin; Sarkar, Biprajit; Košmrlj, Janez","Exploring the Scope of Pyridyl- and Picolyl-Functionalized 1,2,3-Triazol-5-ylidenes in Bidentate Coordination to Ruthenium(II) Cymene Chloride Complexes","Organometallics","2014","33","10","2588","","10.1021/om500287t","","","0.71073","MoKα","","0.0273","0.027","","","0.07","0.0703","","","","","","1.041","","","","has coordinates","178721","2020-10-21","18:00:00",""
"4083305","7.1833","0.0014","11.771","0.002","19.299","0.004","90","","90","","90","","1631.8","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 B10 F S2 -","- C10 H15 B10 F S2 -","- C40 H60 B40 F4 S8 -","4","1","","Zhang, Xiaolei; Zou, Xiaodong; Yan, Hong","Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at theo-Carborane-9,12-dithiolate Unit","Organometallics","2014","33","10","2661","","10.1021/om500411b","","","0.71073","MoKα","","0.0971","0.081","","","0.1976","0.2102","","","","","","1.031","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083311","12.199","0.002","13.993","0.003","14.587","0.003","90","","90","","90","","2490","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Cl3 N P Si -","- C24 H27 Cl3 N P Si -","- C96 H108 Cl12 N4 P4 Si4 -","4","1","","Wang, Jinjin; Liu, Rui; Ruan, Wenqing; Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping","N‒P Bond Cleavage Induced Ring Formation of Cyclosilazanes from Reactions of Aryl(phosphanyl)aminotrichlorosilanes with Lithium Alkynyls","Organometallics","2014","33","11","2696","","10.1021/om401095n","","","0.71073","MoKα","","0.0318","0.0313","","","0.076","0.0763","","","","","","1.157","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083346","11.9742","0.0002","16.6795","0.0004","18.842","0.0005","90","","90","","90","","3763.19","0.15","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 F12 K2 N2 O10 -","- C28 H44 F12 K2 N2 O10 -","- C112 H176 F48 K8 N8 O40 -","4","1","","Roşca, Sorin-Claudiu; Roisnel, Thierry; Dorcet, Vincent; Carpentier, Jean-François; Sarazin, Yann","Potassium and Well-Defined Neutral and Cationic Calcium Fluoroalkoxide Complexes: Structural Features and Reactivity","Organometallics","2014","33","20","5630","","10.1021/om500343w","","x-ray","0.71073","MoKα","","0.0461","0.0387","","","0.0876","0.0919","","","","","","1.027","","","","has coordinates","178722","2020-10-21","18:00:00",""
"4083439","11.5983","0.0006","13.5379","0.001","13.5919","0.0009","90","","90","","90","","2134.2","0.2","100","2","100","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl2 F12 N2 O2 Ti -","- C14 H14 Cl2 F12 N2 O2 Ti -","- C56 H56 Cl8 F48 N8 O8 Ti4 -","4","1","","Marquet, Nicolas; Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François","Group 4 Metal Complexes of Fluorous (Di)Alkoxide-(Di)Imino Ligands: Synthesis, Structure, Olefin Polymerization Catalysis, and Decomposition Pathways","Organometallics","2009","28","2","606","","10.1021/om8009409","","x-ray","0.71073","MoKα","","0.0743","0.0444","","","0.0948","0.1054","","","","","","1.018","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083455","9.352","0.003","17.919","0.006","20.276","0.006","90","","90","","90","","3397.8","1.9","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Co O2 P4 -","- C33 H43 Co O2 P4 -","- C132 H172 Co4 O8 P16 -","4","1","","Xu, Guoqiang; Sun, Hongjian; Li, Xiaoyan","Activation of sp3Carbon−Hydrogen Bonds by Cobalt and Iron Complexes and Subsequent C−C Bond Formation","Organometallics","2009","28","20","6090","","10.1021/om9007218","","","0.71073","MoKα","","0.0902","0.0496","","","0.1031","0.1208","","","","","","1.025","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083504","8.7249","0.0003","11.4772","0.0004","28.8269","0.0011","90","","90","","90","","2886.65","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 Cl2 Si2 Zr -","- C27 H44 Cl2 Si2 Zr -","- C108 H176 Cl8 Si8 Zr4 -","4","1","","Min, Endy Y.-J.; Byers, Jeffery A.; Bercaw, John E.","Catalyst Site Epimerization during the Kinetic Resolution of Chiral α-Olefins by Polymerization","Organometallics","2008","27","10","2179","","10.1021/om700778e","","","0.71073","MoKα","","0.0609","0.0393","","","0.0663","0.0698","","","","","","1.091","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4083514","14.584","0.0002","15.945","0.0003","22.783","0.0005","90","","90","","90","","5298","0.17","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H70 Cl2 N2 O3 Pt -","- C59 H70 Cl2 N2 O3 Pt -","- C236 H280 Cl8 N8 O12 Pt4 -","4","1","","Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio","Synthesis, Structural, and Photophysical Studies of Phenylquinoline and Phenylquinolinyl Alkynyl Based Pt(II) Complexes","Organometallics","2014","33","12","3078","","10.1021/om500336v","","x-ray","0.71073","MoKα","","0.0485","0.0412","","","0.096","0.0994","","","","","","1.111","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083549","13.8631","0.0014","18.617","0.001","22.59","0.002","90","","90","","90","","5830.2","0.8","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28.5 H38 B2 N2 O5 Sn -","- C28.5 H38 B2 N2 O5 Sn -","- C228 H304 B16 N16 O40 Sn8 -","8","2","","Mairychová, Barbora; Štěpnička, Petr; Ru̇žička, Aleš; Dostál, Libor; Jambor, Roman","Reactivity Studies on an Intramolecularly Coordinated Organotin(IV) Carbonate","Organometallics","2014","33","12","3021","","10.1021/om5002759","","","0.71073","MoKα","","0.0776","0.0506","","","0.0846","0.0971","","","","","","1.193","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083557","8.7598","0.0019","14.617","0.003","26.903","0.006","90","","90","","90","","3444.7","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22.5 B0.5 O1.5 P -","- C19 H22.5 B0.5 O1.5 P -","- C152 H180 B4 O12 P8 -","8","2","","Lao, Joan R.; Benet-Buchholz, J.; Vidal-Ferran, Anton","1,1-P‒OP Ligands with P-Stereogenic Phosphino Groups in Asymmetric Hydrogenations and Hydroformylations","Organometallics","2014","33","12","2960","","10.1021/om500378b","","","0.71073","MoKα","","0.0378","0.0358","","","0.0963","0.0983","","","","","","1.085","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083570","11.2322","0.0007","12.0886","0.0007","31.609","0.002","90","","90","","90","","4291.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 N4 Zr -","- C46 H64 N4 Zr -","- C184 H256 N16 Zr4 -","4","1","","Kulkarni, Naveen V.; Elkin, Tatyana; Tumaniskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Asymmetric Bis(formamidinate) Group 4 Complexes: Synthesis, Structure and Their Reactivity in the Polymerization of α-Olefins.","Organometallics","2014","33","12","3119","","10.1021/om500345r","","","0.71073","MoKα","","0.0307","0.027","","","0.0581","0.0597","","","","","","1.031","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083586","17.4063","0.0015","19.8347","0.0017","25.018","0.002","90","","90","","90","","8637.4","1.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C92 H104 Lu3 N15 -","- C92 H104 Lu3 N15 -","- C368 H416 Lu12 N60 -","4","1","","Johnson, Kevin R. D.; Kamenz, Breanne L.; Hayes, Paul G.","Bis(pyrazolyl)carbazole as a Versatile Ligand for Supporting Lutetium Alkyl and Hydride Complexes","Organometallics","2014","33","12","3005","","10.1021/om500226t","","","0.71073","MoKα","","0.0445","0.0307","","","0.0495","0.0528","","","","","","1.005","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083587","11.1336","0.0009","17.2498","0.0013","18.0041","0.0014","90","","90","","90","","3457.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 Fe P2 Si2 -","- C34 H46 Fe P2 Si2 -","- C136 H184 Fe4 P8 Si8 -","4","1","","Hoyt, Jordan M.; Shevlin, Michael; Margulieux, Grant W.; Krska, Shane W.; Tudge, Matthew T.; Chirik, Paul J.","Synthesis and Hydrogenation Activity of Iron Dialkyl Complexes with Chiral Bidentate Phosphines","Organometallics","2014","33","20","5781","","10.1021/om500329q","","","0.71069","MoKα","","0.0555","0.0376","","","0.0617","0.0664","","","","","","0.986","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083589","10.0928","0.0002","15.2244","0.0003","20.1436","0.0005","90","","90","","90","","3095.2","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 Fe P2 Si2 -","- C26 H50 Fe P2 Si2 -","- C104 H200 Fe4 P8 Si8 -","4","1","","Hoyt, Jordan M.; Shevlin, Michael; Margulieux, Grant W.; Krska, Shane W.; Tudge, Matthew T.; Chirik, Paul J.","Synthesis and Hydrogenation Activity of Iron Dialkyl Complexes with Chiral Bidentate Phosphines","Organometallics","2014","33","20","5781","","10.1021/om500329q","","","1.54178","CuKα","","0.0241","0.0227","","","0.0542","0.0546","","","","","","0.837","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083590","9.2216","0.0003","13.1775","0.0006","30.7399","0.0012","90","","90","","90","","3735.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 Cl2 Fe2 O4 P2 -","- C36 H52 Cl2 Fe2 O4 P2 -","- C144 H208 Cl8 Fe8 O16 P8 -","4","1","","Hoyt, Jordan M.; Shevlin, Michael; Margulieux, Grant W.; Krska, Shane W.; Tudge, Matthew T.; Chirik, Paul J.","Synthesis and Hydrogenation Activity of Iron Dialkyl Complexes with Chiral Bidentate Phosphines","Organometallics","2014","33","20","5781","","10.1021/om500329q","","","1.54184","CuKα","","0.0302","0.0275","","","0.0624","0.0635","","","","","","0.847","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083605","9.908","0.0008","14.835","0.0009","15.0951","0.001","90","","90","","90","","2218.8","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Cl2 N4 Pd -","- C21 H26 Cl2 N4 Pd -","- C84 H104 Cl8 N16 Pd4 -","4","1","","Turek, Jan; Panov, Illia; Semler, Miloslav; Štěpnička, Petr; De Proft, Frank; Padělková, Zdeňka; Růžička, Aleš","Palladium(II) Complexes of 1,2,4-Triazole-BasedN-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity","Organometallics","2014","33","12","3108","","10.1021/om500342z","","","0.71073","MoKα","","0.0395","0.0281","","","0.0591","0.068","","","","","","1.211","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083632","13.942","0.009","14.236","0.009","18.453","0.012","90","","90","","90","","3663","4","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H55 Cl Ir N5 -","- C40 H55 Cl Ir N5 -","- C160 H220 Cl4 Ir4 N20 -","4","1","","Chen, Dianjun; Banphavichit, Vorawit; Reibenspies, Joe; Burgess, Kevin","New Optically ActiveN-Heterocyclic Carbene Complexes for Hydrogenation: A Tale with an Atropisomeric Twist","Organometallics","2007","26","4","855","","10.1021/om061013+","","","0.71073","MoKα","","0.0842","0.0629","","","0.1141","0.1202","","","","","","1.015","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083654","9.6071","0.0006","14.9814","0.001","19.1994","0.0013","90","","90","","90","","2763.3","0.3","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 B F10 N P Si -","- C24 H29 B F10 N P Si -","- C96 H116 B4 F40 N4 P4 Si4 -","4","1","","Alhomaidan, Osamah; Hollink, Emily; Stephan, Douglas W.","Main Group Heterocycles from Lithiated Phosphinimines","Organometallics","2007","26","12","3041","","10.1021/om070154o","","","0.71073","MoKα","","0.0354","0.0321","","","0.0809","0.0838","","","","","","1.039","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083677","8.743","0.003","11.184","0.003","15.741","0.005","90","","90","","90","","1539.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N2 Yb -","- C17 H19 N2 Yb -","- C68 H76 N8 Yb4 -","4","1","","Pi, Chengfu; Zhang, Zhengxing; Pang, Zhen; Zhang, Jie; Luo, Jun; Chen, Zhenxia; Weng, Linhong; Zhou, Xigeng","Multiple N−H Bond Activation: Synthesis and Reactivity of Functionalized Primary Amido Ytterbium Complexes","Organometallics","2007","26","8","1934","","10.1021/om061094+","","","0.71073","MoKα","","0.0274","0.0264","","","0.0636","0.064","","","","","","1.041","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083683","7.979","0.003","9.383","0.004","29.536","0.012","90","","90","","90","","2211.3","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N4 Yb -","- C23 H31 N4 Yb -","- C92 H124 N16 Yb4 -","4","1","","Pi, Chengfu; Zhang, Zhengxing; Pang, Zhen; Zhang, Jie; Luo, Jun; Chen, Zhenxia; Weng, Linhong; Zhou, Xigeng","Multiple N−H Bond Activation: Synthesis and Reactivity of Functionalized Primary Amido Ytterbium Complexes","Organometallics","2007","26","8","1934","","10.1021/om061094+","","","0.71073","MoKα","","0.0336","0.0316","","","0.0706","0.0712","","","","","","1.093","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083684","8.357","0.002","9.922","0.003","28.681","0.008","90","","90","","90","","2378.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N4 Yb -","- C24 H32 N4 Yb -","- C96 H128 N16 Yb4 -","4","1","","Pi, Chengfu; Zhang, Zhengxing; Pang, Zhen; Zhang, Jie; Luo, Jun; Chen, Zhenxia; Weng, Linhong; Zhou, Xigeng","Multiple N−H Bond Activation: Synthesis and Reactivity of Functionalized Primary Amido Ytterbium Complexes","Organometallics","2007","26","8","1934","","10.1021/om061094+","","","0.71073","MoKα","","0.0289","0.0252","","","0.0424","0.0431","","","","","","0.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083687","12.3271","0.0004","13.8358","0.0004","15.1325","0.0005","90","","90","","90","","2580.93","0.14","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H46 Br N2 O P2 Re -","- C20 H46 Br N2 O P2 Re -","- C80 H184 Br4 N8 O4 P8 Re4 -","4","1","","Choualeb, Aldjia; Lough, Alan J.; Gusev, Dmitry G.","Hydridic Rhenium Nitrosyl Complexes with Pincer-Type PNP Ligands","Organometallics","2007","26","14","3509","","10.1021/om070206+","","","0.71073","MoKα","","0.0462","0.0347","","","0.0666","0.0702","","","","","","1.067","","","","has coordinates","178725","2020-10-21","18:00:00",""
"4083727","11.408","0.0005","21.0641","0.0008","30.1038","0.0014","90","","90","","90","","7233.9","0.5","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Fe N4 O6.5 -","- C40 H40 Fe N4 O6.5 -","- C320 H320 Fe8 N32 O52 -","8","2","","Adhikari, Bimalendu; Lough, Alan J.; Barker, Bryan; Shah, Afzal; Xiang, Cuili; Kraatz, Heinz-Bernhard","Bis-amino Acid Derivatives of 1,1′-Ferrocenedicarboxylic Acid: Structural, Electrochemical, and Metal Ion Binding Studies","Organometallics","2014","33","18","4873","","10.1021/om500032p","","","1.54178","CuKα","","0.0441","0.042","","","0.1167","0.1178","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083728","11.4726","0.001","21.0218","0.0018","30.25","0.003","90","","90","","90","","7295.5","1.1","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Fe N4 O6.5 -","- C40 H40 Fe N4 O6.5 -","- C320 H320 Fe8 N32 O52 -","8","2","","Adhikari, Bimalendu; Lough, Alan J.; Barker, Bryan; Shah, Afzal; Xiang, Cuili; Kraatz, Heinz-Bernhard","Bis-amino Acid Derivatives of 1,1′-Ferrocenedicarboxylic Acid: Structural, Electrochemical, and Metal Ion Binding Studies","Organometallics","2014","33","18","4873","","10.1021/om500032p","","","0.71073","MoKα","","0.0715","0.0604","","","0.1561","0.1635","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083793","12.0758","0.0013","15.8867","0.0017","18.513","0.002","90","","90","","90","","3551.6","0.7","213","2","213","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 B2 Cl2 F8 Fe O0 P2 Se2 -","- C27 H46 B2 Cl2 F8 Fe P2 Se2 -","- C108 H184 B8 Cl8 F32 Fe4 P8 Se8 -","4","1","","Blanco, Fawn N.; Hagopian, Laura E.; McNamara, William R.; Golen, James A.; Rheingold, Arnold L.; Nataro, Chip","Anodic Electrochemistry of Free and Coordinated 1,1‘-Bis(di-tert-butylphosphino)ferrocene","Organometallics","2006","25","18","4292","","10.1021/om051011+","","","0.71073","MoKα","","0.0406","0.0347","","","0.0897","0.0922","","","","","","1.072","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083806","8.2846","0.0002","14.8183","0.0004","16.5","0.0004","90","","90","","90","","2025.6","0.09","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 F6 N2 O9 Pt S2 -","- C13 H12 F6 N2 O9 Pt S2 -","- C52 H48 F24 N8 O36 Pt4 S8 -","4","1","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.0397","0.0333","","","0.0726","0.075","","","","","","1.083","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083810","17.66","0.005","18.503","0.005","19.066","0.005","90","","90","","90","","6230","3","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H70 Cl6 N2 P2 Pd2 -","- C64 H70 Cl6 N2 P2 Pd2 -","- C256 H280 Cl24 N8 P8 Pd8 -","4","1","","Siutkowski, Magali; Mercier, François; Ricard, Louis; Mathey, François","C2-BIPNOR: An Easily Accessible Homologue of BIPNOR for Asymmetric Catalysis","Organometallics","2006","25","10","2585","","10.1021/om060118+","","","0.71069","MoKα","","0.0704","0.0601","","","0.1609","0.1694","","","","","","1.034","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083811","12.737","0.005","16.766","0.005","20.593","0.005","90","0.005","90","0.005","90","0.005","4398","2","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H50 F6 P3 Rh -","- C50 H50 F6 P3 Rh -","- C200 H200 F24 P12 Rh4 -","4","1","","Siutkowski, Magali; Mercier, François; Ricard, Louis; Mathey, François","C2-BIPNOR: An Easily Accessible Homologue of BIPNOR for Asymmetric Catalysis","Organometallics","2006","25","10","2585","","10.1021/om060118+","","","0.71069","MoKα","","0.0558","0.049","","","0.1243","0.1293","","","","","","1.004","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083837","10.979","0.001","15.36","0.001","19.484","0.002","90","","90","","90","","3285.7","0.5","143.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Ir N2 P Si -","- C37 H40 Ir N2 P Si -","- C148 H160 Ir4 N8 P4 Si4 -","4","1","","Karshtedt, Dmitry; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Reactions Involving Si−H Bond Activations by Rh and Ir Complexes Containing a Pyridylindolide Ligand","Organometallics","2006","25","19","4471","","10.1021/om060492+","","","0.7107","MoKα","","0.0463","0.0341","","0.04","","0.0368","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083854","8.184","0.0005","12.446","0.003","33.932","0.007","90","","90","","90","","3456.2","1.1","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H40 N2 O2 Pt -","- C39 H40 N2 O2 Pt -","- C156 H160 N8 O8 Pt4 -","4","1","","Micksch, Maik; Tenne, Mario; Strassner, Thomas","C∧N-Cyclometalated Platinum(II) Complexes with Sterically Demanding 1,2-Diarylimidazole Ligands","Organometallics","2014","","","140701164044003","","10.1021/om500383b","","","0.71073","MoKα","","0.0474","0.0298","","","0.0583","0.0745","","","","","","1.196","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083874","10.1729","0.0004","13.9162","0.0006","17.7504","0.0008","90","","90","","90","","2512.89","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 Cl Ti -","- C27 H43 Cl Ti -","- C108 H172 Cl4 Ti4 -","4","1","","Pinkas, Jiří; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Steric Effects in Reactions of Decamethyltitanocene Hydride with Internal Alkynes, Conjugated Diynes, and Conjugated Dienes","Organometallics","2014","","","140702161538000","","10.1021/om500296h","","","0.71073","MoKα","","0.0384","0.0325","","","0.076","0.0786","","","","","","1.04","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083965","12.9384","0.0014","18.489","0.002","22.34","0.005","90","","90","","90","","5344.1","1.4","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H54 F9 La N6 O14 S3 -","- C41 H54 F9 La N6 O14 S3 -","- C164 H216 F36 La4 N24 O56 S12 -","4","1","","Aspinall, Helen C.; Bickley, Jamie F.; Greeves, Nicholas; Kelly, Richard V.; Smith, Peter M.","Lanthanide Pybox Complexes as Catalysts for Enantioselective Silylcyanation of Aldehydes","Organometallics","2005","24","14","3458","","10.1021/om050197+","","","0.71073","MoKα","","0.0505","0.0383","","","0.086","0.0896","","","","","","0.963","","","","has coordinates,has disorder","178728","2020-10-21","18:00:00",""
"4084025","7.4857","0.0001","12.4792","0.0002","16.6603","0.0003","90","","90","","90","","1556.33","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl3 Ti -","- C14 H19 Cl3 Ti -","- C56 H76 Cl12 Ti4 -","4","1","","Turner, Zoë R.; Buffet, Jean-Charles; O’Hare, Dermot","Chiral Group 4 Cyclopentadienyl Complexes and Their Use in Polymerization of Lactide Monomers","Organometallics","2014","33","14","3891","","10.1021/om500634a","","","0.71073","MoKα","","0.0323","0.029","","","0.0685","0.0703","","","","","","1.112","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084029","8.7264","0.0003","11.1945","0.0004","31.2243","0.0013","90","","90","","90","","3050.2","0.2","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl3 Cr N2 O2 P -","- C28 H37 Cl3 Cr N2 O2 P -","- C112 H148 Cl12 Cr4 N8 O8 P4 -","4","1","","Yang, Yun; Gurnham, Joanna; Liu, Boping; Duchateau, Robbert; Gambarotta, Sandro; Korobkov, Ilia","Selective Ethylene Oligomerization with Chromium Complexes Bearing Pyridine‒Phosphine Ligands: Influence of Ligand Structure on Catalytic Behavior","Organometallics","2014","33","20","5749","","10.1021/om5003683","","","0.71073","MoKα","","0.0523","0.0415","","","0.0927","0.0972","","","","","","1.023","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084030","10.3222","0.0002","14.4954","0.0003","17.0039","0.0004","90","","90","","90","","2544.2","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H41 K O6 -","- C24 H41 K O6 -","- C96 H164 K4 O24 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","0.71073","MoKα","","0.0382","0.0349","","","0.0732","0.0746","","","","","","1.098","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084032","10.4927","0.0003","10.9438","0.0003","13.6917","0.0004","90","","90","","90","","1572.22","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Zr -","- C19 H24 Zr -","- C76 H96 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","0.71073","MoKα","","0.0288","0.0233","","","0.0449","0.0467","","","","","","1.067","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084033","8.3511","0.0003","13.0443","0.0004","19.7724","0.0006","90","","90","","90","","2153.89","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 P Zr -","- C23 H35 P Zr -","- C92 H140 P4 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","1.54184","CuKα","","0.0268","0.0257","","","0.0634","0.0641","","","","","","1.021","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084034","8.1113","0.0003","15.7346","0.0005","18.991","0.0007","90","","90","","90","","2423.78","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 P Zr -","- C28 H37 P Zr -","- C112 H148 P4 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","0.71073","MoKα","","0.0491","0.0356","","","0.062","0.0666","","","","","","1.031","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084036","9.1213","0.0002","13.8169","0.0003","17.936","0.0004","90","","90","","90","","2260.44","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N Zr -","- C25 H35 N Zr -","- C100 H140 N4 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2014","33","14","3792","","10.1021/om500513m","","","0.71073","MoKα","","0.0307","0.0249","","","0.0478","0.0497","","","","","","1.064","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084040","14.902","0.005","20.57","0.007","21.407","0.007","90","","90","","90","","6562","4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H66 Cl5 N3 O2 P2 Ru -","- C64 H66 Cl5 N3 O2 P2 Ru -","- C256 H264 Cl20 N12 O8 P8 Ru4 -","4","1","","Panda, Bikash Kumar; Chattopadhyay, Swarup; Ghosh, Kaushik; Chakravorty, Animesh","Isonitrile Insertion into the Ru−O Bond and Migratory C−C Bond Formation. Novel Organoruthenium Imidic Ester and Acyl Species","Organometallics","2002","21","13","2773","","10.1021/om020059+","","","0.71073","MoKα","","0.1162","0.0662","","0.2597","0.1639","","","","1.04","1.043","1.043","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4084044","6.9897","0.0001","13.235","0.0002","14.0795","0.0003","90","","90","","90","","1302.48","0.04","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Cr O2 P S -","- C11 H15 Cr O2 P S -","- C44 H60 Cr4 O8 P4 S4 -","4","1","","Goh, Lai Yoong; Weng, Zhiqiang; Leong, Weng Kee; Vittal, Jagadese J.; Haiduc, Ionel","An Organometallic Radical Route to Bis(phosphido)- and Hydrido−Phosphido-Bridged Metal−Metal-Bonded Complexes of Cyclopentadienylchromium via Desulfurization of Thiophosphinito Ligands","Organometallics","2002","21","24","5287","","10.1021/om0203680","","","0.71073","MoKα","","0.0873","0.0496","","","0.118","0.1268","","","","","","0.956","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084068","8.516","0.0009","12.3755","0.0014","27.166","0.003","90","","90","","90","","2863","0.5","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1a","","","- C34 H34 N2 P2 -","- C34 H34 N2 P2 -","- C136 H136 N8 P8 -","4","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0926","0.0513","","","0.0866","0.0982","","","","","","0.828","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084069","14.02","0.002","15.516","0.002","17.188","0.003","90","","90","","90","","3739","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1b","","","- C43 H37 Cl3 N2 P2 -","- C43 H37 Cl3 N2 P2 -","- C172 H148 Cl12 N8 P8 -","4","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0277","0.0256","","","0.067","0.0686","","","","","","1.034","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084074","10.2747","0.0006","16.0208","0.0009","21.1717","0.0012","90","","90","","90","","3485.1","0.3","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","[FeBr(CO)(2a)]SbF6 (cis-11a)","","","- C35 H34 Br F6 Fe N2 O P2 Sb -","- C35 H34 Br F6 Fe N2 O P2 Sb -","- C140 H136 Br4 F24 Fe4 N8 O4 P8 Sb4 -","4","1","","Bigler, Raphael; Otth, Elisabeth; Mezzetti, Antonio","Chiral Macrocyclic N2P2Ligands and Iron(II): A Marriage of Interest","Organometallics","2014","33","15","4086","","10.1021/om5005989","","","0.71073","MoKα","","0.0689","0.052","","","0.1328","0.1426","","","","","","1.049","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084078","8.3237","0.0017","14.902","0.003","21.21","0.004","90","","90","","90","","2630.9","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Fe2 N2 O2 -","- C31 H32 Fe2 N2 O2 -","- C124 H128 Fe8 N8 O8 -","4","1","","Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Coupling of Isocyanide and μ-Aminocarbyne Ligands in Diiron Complexes Promoted by Hydride Addition","Organometallics","2014","33","15","3990","","10.1021/om500502h","","","0.71073","MoKα","","0.0771","0.0569","","","0.1289","0.1387","","","","","","1.087","","","","has coordinates,has disorder","178729","2020-10-21","18:00:00",""
"4084092","10.889","0.005","11.444","0.003","13.026","0.007","90","","90","","90","","1623.2","1.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 B9 Co N -","- C12 H19 B9 Co N -","- C48 H76 B36 Co4 N4 -","4","1","","Llop, Jordi; Viñas, Clara; Teixidor, Francesc; Victori, Lluís; Kivekäs, Raikko; Sillanpää, Reijo","C−C Plasticity in Boron Chemistry: Modulation of the Cc···CcDistance in Mixed Pyrrolyl/Dicarbollide Complexes†","Organometallics","2001","20","19","4024","","10.1021/om010511+","","","0.71069","MoKα","","0.0742","0.0495","","","0.1232","0.1337","","","","","","1.142","","","","has coordinates","178729","2020-10-21","18:00:00",""
"4084105","10.1035","0.0001","22.646","0.0003","27.1079","0.0003","90","","90","","90","","6202.39","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 B F4 N6 Ni -","- C27 H47 B F4 N6 Ni -","- C216 H376 B8 F32 N48 Ni8 -","8","2","","Wei, Yingfei; Petronilho, Ana; Mueller-Bunz, Helge; Albrecht, Martin","Mesoionic Triazolylidene Nickel Complexes: Synthesis, Ligand Lability, and Catalytic C‒C Bond Formation Activity","Organometallics","2014","33","20","5834","","10.1021/om500593s","","","0.71073","MoKα","","0.0668","0.0655","","","0.1397","0.1405","","","","","","1.194","","","","has coordinates,has disorder","178730","2020-10-21","18:00:00",""
"4084128","6.8049","0.0006","10.6558","0.0004","12.3859","0.0007","90","","90","","90","","898.12","0.1","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis-Dichloro-(eta4-cyclo-octadiene)-platinum(II)","","- C8 H12 Cl2 Pt -","- C8 H12 Cl2 Pt -","- C32 H48 Cl8 Pt4 -","4","1","","Enders, Mirja; Görling, Benjamin; Braun, Alexander B.; Seltenreich, Judith E.; Reichenbach, Linus F.; Rissanen, Kari; Nieger, Martin; Luy, Burkhard; Schepers, Ute; Bräse, Stefan","Cytotoxicity and NMR Studies of Platinum Complexes with Cyclooctadiene Ligands","Organometallics","2014","33","15","4027","","10.1021/om500540x","","","0.71073","MoKα","","0.0168","0.0162","","","0.0379","0.0382","","","","","","1.095","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084132","7.991","0.001","12.918","0.001","20.335","0.002","90","","90","","90","","2099.1","0.4","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","eta4-(1,5-Cyclooctadien)-dimesitylplatinium(II)","","- C26 H34 Pt -","- C26 H34 Pt -","- C104 H136 Pt4 -","4","1","","Enders, Mirja; Görling, Benjamin; Braun, Alexander B.; Seltenreich, Judith E.; Reichenbach, Linus F.; Rissanen, Kari; Nieger, Martin; Luy, Burkhard; Schepers, Ute; Bräse, Stefan","Cytotoxicity and NMR Studies of Platinum Complexes with Cyclooctadiene Ligands","Organometallics","2014","33","15","4027","","10.1021/om500540x","","","0.71073","MoKα","","0.0204","0.0179","","","0.0405","0.0414","","","","","","1.26","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084165","10.14265","0.00018","24.4421","0.0005","36.6899","0.0007","90","","90","","90","","9095.7","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C400 H460 N20 O60 -","20","5","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","1.54187","CuKα","","","0.0866","","","","0.2861","","","","","","1.076","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084168","7.15581","0.00013","10.64801","0.00019","22.8418","0.0005","90","","90","","90","","1740.43","0.06","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","1.54187","CuKα","","","0.0342","","","","0.0871","","","","","","1.077","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084169","8.8953","0.0003","11.8609","0.0004","23.4715","0.0007","90","","90","","90","","2476.39","0.14","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O7 -","- C28 H24 N2 O7 -","- C112 H96 N8 O28 -","4","1","","Yasuda, Makoto; Nagano, Yoshitaka; Yunoki, Hiroshi; Tsuruwa, Kensuke; Baba, Akio","Chiral Transfer in the Reaction of Aminoallylic Stannanes with Carbonyls in Two Different Modes using Tin(II) and Indium(III) Halides for the Synthesis of Each Enantiomer","Organometallics","2014","33","15","3924","","10.1021/om500768e","","","0.71075","MoKα","","","0.0319","","","","0.0418","","","","","","0.893","","","","has coordinates","178730","2020-10-21","18:00:00",""
"4084200","7.8173","0.0017","12.915","0.003","19.645","0.004","90","","90","","90","","1983.4","0.7","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N O3 P -","- C24 H22 N O3 P -","- C96 H88 N4 O12 P4 -","4","1","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","Modifying the Chemistry of the Phosphole Dienic System by α-Vinylation","Organometallics","2014","33","16","4245","","10.1021/om500526u","","","0.71073","MoKα","","0.1816","0.0729","","","0.1004","0.1314","","","","","","0.963","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084212","6.5734","0.0002","19.1588","0.0007","29.6134","0.0015","90","","90","","90","","3729.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H12 Cl N2 O3 Re -","- C21 H12 Cl N2 O3 Re -","- C168 H96 Cl8 N16 O24 Re8 -","8","2","","Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.","Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes","Organometallics","2014","33","18","4911","","10.1021/om500172r","","","1.54178","CuKα","","0.0806","0.0604","","","0.1324","0.1487","","","","","","0.988","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084216","6.267","0.0006","9.1743","0.0009","15.1903","0.0014","90","","90","","90","","873.37","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Au(III)ONOCl","toste114","","- C7 H3 Au Cl N O4 -","- C7 H3 Au Cl N O4 -","- C28 H12 Au4 Cl4 N4 O16 -","4","1","","Johnson, Miles W.; DiPasquale, Antonio G.; Bergman, Robert G.; Toste, F. Dean","Synthesis of Stable Gold(III) Pincer Complexes with Anionic Heteroatom Donors.","Organometallics","2014","33","16","4169","4172","10.1021/om500663m","","","0.71073","MoKα","","0.0159","0.0152","","","0.0316","0.0318","","","","","","1.007","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4084229","10.6156","0.0015","14.969","0.002","22.146","0.003","90","","90","","90","","3519.1","0.8","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 Au F6 N P Sb -","- C33 H46 Au F6 N P Sb -","- C132 H184 Au4 F24 N4 P4 Sb4 -","4","1","","Sriram, Madhavi; Zhu, Yuyang; Camp, Andrew M.; Day, Cynthia S.; Jones, Amanda C.","Structure and Dynamic Behavior of Phosphine Gold(I)-Coordinated Enamines: Characterization of α-Metalated Iminium Ions","Organometallics","2014","33","16","4157","","10.1021/om500670z","","","0.71073","MoKα","","0.0539","0.0393","","","0.0743","0.0799","","","","","","1.031","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084238","15.3752","0.0007","15.6268","0.0008","30.2427","0.0013","90","","90","","90","","7266.3","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C85 H80 Cl2 Fe N4 P4 Ru -","- C85 H80 Cl2 Fe N4 P4 Ru -","- C340 H320 Cl8 Fe4 N16 P16 Ru4 -","4","1","","Burgun, Alexandre; Ellis, Benjamin G.; Roisnel, Thierry; Skelton, Brian W.; Bruce, Michael I.; Lapinte, Claude","From Molecular Wires to Molecular Resistors: TCNE, a Class-III/Class-II Mixed-Valence Chemical Switch","Organometallics","2014","33","16","4209","","10.1021/om500483y","","","1.54178","CuKα","","0.1151","0.0644","","","0.1439","0.1728","","","","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4084257","10.64068","0.00016","13.8089","0.0002","20.4693","0.0003","90","","90","","90","","3007.68","0.08","99.98","0.1","99.98","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 B F4 O4 Ru -","- C32 H36 B F4 O4 Ru -","- C128 H144 B4 F16 O16 Ru4 -","4","1","","So, Shiu-Chun; Cheung, Wai-Man; Wang, Guo-Cang; Kwan Huang, Enrique; Lau, Man-Kit; Zhang, Qian-Feng; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Migratory Insertion and Reductive Coupling of Tetraarylruthenium(IV) Complexes","Organometallics","2014","33","17","4497","","10.1021/om500707e","","x-ray","1.5418","CuKα","","0.025","0.0238","","","0.0586","0.0593","","","","","","1.002","","","","has coordinates","178731","2020-10-21","18:00:00",""
"4084312","14.204","0.004","21.125","0.006","29.456","0.009","90","","90","","90","","8839","4","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","14 in manuscript","","","- C84 H86 Au2 B Cl4 F15 N4 -","- C85 H84 Au2 B Cl4 F15 N4 -","- C340 H336 Au8 B4 Cl16 F60 N16 -","4","1","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.1061","0.0821","","","0.2006","0.2142","","","","","","1.104","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084316","12.7592","0.0008","19.3239","0.0014","20.095","0.0014","90","","90","","90","","4954.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H41 Au B F15 N2 -","- C53 H41 Au B F15 N2 -","- C212 H164 Au4 B4 F60 N8 -","4","1","","Hansmann, Max M.; Rominger, Frank; Boone, Michael P.; Stephan, Douglas W.; Hashmi, A. Stephen K.","Reactivity of Organogold Compounds with B(C6F5)3: Gold‒Boron Transmetalation via σ-B/π-Au Species","Organometallics","2014","33","17","4461","","10.1021/om5006885","","","0.71073","MoKα","","0.0217","0.0194","","","0.0426","0.0431","","","","","","0.957","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084347","10.05","0.0003","11.2253","0.0003","25.4689","0.0008","90","","90","","90","","2873.26","0.15","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Fe N O4 P Pd -","- C34 H32 Fe N O4 P Pd -","- C136 H128 Fe4 N4 O16 P4 Pd4 -","4","1","","Gan, Kennard; Sadeer, Abdul; Xu, Chang; Li, Yongxin; Pullarkat, Sumod A.","Asymmetric Construction of a Ferrocenyl Phosphapalladacycle from Achiral Enones and a Demonstration of Its Catalytic Potential","Organometallics","2014","33","19","5074","","10.1021/om5007215","","","0.71073","MoKα","","0.0484","0.0355","","","0.0925","0.1113","","","","","","1.144","","","","has coordinates,has disorder","178732","2020-10-21","18:00:00",""
"4084348","11.1263","0.0006","12.709","0.0007","29.4776","0.0019","90","","90","","90","","4168.3","0.4","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 Cl3 Fe N O P Pd -","- C46 H45 Cl3 Fe N O P Pd -","- C184 H180 Cl12 Fe4 N4 O4 P4 Pd4 -","4","1","","Gan, Kennard; Sadeer, Abdul; Xu, Chang; Li, Yongxin; Pullarkat, Sumod A.","Asymmetric Construction of a Ferrocenyl Phosphapalladacycle from Achiral Enones and a Demonstration of Its Catalytic Potential","Organometallics","2014","33","19","5074","","10.1021/om5007215","","","0.71073","MoKα","","0.0846","0.0529","","","0.1074","0.1282","","","","","","1.008","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084352","8.306","0.002","18.527","0.005","21.323","0.005","90","","90","","90","","3281.3","1.4","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H55 P Zr -","- C35 H55 P Zr -","- C140 H220 P4 Zr4 -","4","1","","Suzuki, Noriyuki; Yoshitani, Takao; Inoue, Shota; Hashizume, Daisuke; Yoshida, Hajime; Tezuka, Meguru; Ida, Keisuke; Nagashima, Sayoko; Chihara, Teiji; Kobayashi, Osamu; Nanbu, Shinkoh; Masuyama, Yoshiro","Haptotropic Shift of [5]Cumulenes in Zirconocene Complexes and Effects of Steric Factors","Organometallics","2014","33","19","5220","","10.1021/om500536c","","","0.7107","MoKα","","","0.0433","","","","0.0858","","","","","","1.1","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084357","12.5384","0.001","14.2391","0.0012","29.279","0.003","90","","90","","90","","5227.3","0.8","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","7-Ni","","- C51 H56 Ag2 Cl4 N6 Ni O2 -","- C51 H56 Ag2 Cl4 N6 Ni O2 -","- C204 H224 Ag8 Cl16 N24 Ni4 O8 -","4","1","","Mechler, Melanie; Frey, Wolfgang; Peters, René","Macrocyclic Salen‒Bis-NHC Hybrid Ligands and Their Application to the Synthesis of Enantiopure Bi- and Trimetallic Complexes","Organometallics","2014","33","19","5492","","10.1021/om500762r","","","0.71073","MoKα","","0.0842","0.048","","","0.064","0.0692","","","","","","1.021","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084358","12.8207","0.0007","14.4012","0.0009","28.6348","0.0016","90","","90","","90","","5286.9","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","7-Pd","","- C52 H58 Ag2 Cl6 N6 O2 Pd -","- C52 H58 Ag2 Cl6 N6 O2 Pd -","- C208 H232 Ag8 Cl24 N24 O8 Pd4 -","4","1","","Mechler, Melanie; Frey, Wolfgang; Peters, René","Macrocyclic Salen‒Bis-NHC Hybrid Ligands and Their Application to the Synthesis of Enantiopure Bi- and Trimetallic Complexes","Organometallics","2014","33","19","5492","","10.1021/om500762r","","","0.71073","MoKα","","0.0436","0.039","","","0.1022","0.1045","","","","","","1.064","","","","has coordinates","178732","2020-10-21","18:00:00",""
"4084403","8.8649","0.0018","17.627","0.004","18.778","0.004","90","","90","","90","","2934.3","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 N Ni P -","- C32 H44 N Ni P -","- C128 H176 N4 Ni4 P4 -","4","1","","Takeuchi, Katsuhiko; Minami, Ataru; Nakajima, Yumiko; Ozawa, Fumiyuki","Synthesis and Structures of Nickel Complexes with a PN-Chelate Phosphaalkene Ligand","Organometallics","2014","33","19","5365","","10.1021/om500685x","","","0.7107","MoKα","","0.0609","0.0498","","","0.1265","0.1378","","","","","","0.829","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084405","10.5075","0.0012","16.4116","0.0019","20.374","0.002","90","","90","","90","","3513.4","0.7","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H49 Br N Ni P Si -","- C34 H49 Br N Ni P Si -","- C136 H196 Br4 N4 Ni4 P4 Si4 -","4","1","","Takeuchi, Katsuhiko; Minami, Ataru; Nakajima, Yumiko; Ozawa, Fumiyuki","Synthesis and Structures of Nickel Complexes with a PN-Chelate Phosphaalkene Ligand","Organometallics","2014","33","19","5365","","10.1021/om500685x","","","0.71075","MoKα","","0.0276","0.0268","","","0.072","0.0727","","","","","","1.104","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084406","11.8547","0.0002","12.0214","0.0002","25.0457","0.0006","90","","90","","90","","3569.26","0.12","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 Cl N2 O2 Ru S -","- C38 H47 Cl N2 O2 Ru S -","- C152 H188 Cl4 N8 O8 Ru4 S4 -","4","1","","Hodgkinson, Roy; Jurčík, Václav; Zanotti-Gerosa, Antonio; Nedden, Hans Günter; Blackaby, Andrew; Clarkson, Guy J.; Wills, Martin","Synthesis and Catalytic Applications of an Extended Range of Tethered Ruthenium(II)/η6-Arene/Diamine Complexes","Organometallics","2014","33","19","5517","","10.1021/om500788t","","","0.71073","MoKα","","0.0518","0.0418","","","0.0797","0.0832","","","","","","1.028","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084414","21.9594","0.0008","15.8899","0.0006","7.4894","0.0003","90","","90","","90","","2613.3","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 B F4 N5 Pd -","- C26 H21 B F4 N5 Pd -","- C104 H84 B4 F16 N20 Pd4 -","4","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Depalladation of Neutral Monoalkyne- and Dialkyne-Inserted Palladacycles and Alkyne Insertion/Depalladation Reactions of Cationic Palladacycles Derived fromN,N′,N″-Triarylguanidines as Facile Routes for Guanidine-Containing Heterocycles/Carbocycles: Synthetic, Structural, and Mechanistic Aspects","Organometallics","2014","33","19","5554","","10.1021/om500837v","","","0.71073","MoKα","","0.0408","0.0381","","","0.0977","0.0989","","","","","","1.048","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4084425","9.2393","0.0007","14.5649","0.0014","19.245","0.003","90","","90","","90","","2589.8","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cl N3 Ni O2 -","- C30 H24 Cl N3 Ni O2 -","- C120 H96 Cl4 N12 Ni4 O8 -","4","1","","He, Jianyun; Liu, Zhanxiong; Du, Gaixia; Fu, Yinxia; Zhang, Shaowen; Li, Xiaofang","Chiral Palladium(II) and Nickel(II) Complexes withC2-Symmetrical Tridentate Bis(oxazoline) Ligands: Synthesis, Characterization, and Catalytic Norbornene Polymerization","Organometallics","2014","33","21","6103","","10.1021/om5007616","","","0.71073","MoKα","","0.1087","0.0616","","","0.0893","0.1056","","","","","","1.008","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084461","10.1395","0.0009","18.1137","0.0015","21.122","0.002","90","","90","","90","","3879.3","0.6","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 Cl3 N P2 Pt -","- C41 H42 Cl3 N P2 Pt -","- C164 H168 Cl12 N4 P8 Pt4 -","4","1","","Jia, Yu-Xiang; Li, Bin-Bin; Li, Yongxin; Pullarkat, Sumod A.; Xu, Kai; Hirao, Hajime; Leung, Pak-Hing","Stereoelectronic and Catalytic Properties of Chiral Cyclometalated Phospha-palladium and -platinum Complexes","Organometallics","2014","33","21","6053","","10.1021/om500662q","","","0.71073","","","0.0884","0.0526","","","0.0909","0.1006","","","","","","0.983","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084462","12.5229","0.0005","13.2329","0.0005","14.4569","0.0005","90","","90","","90","","2395.71","0.16","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O2 P Pt -","- C29 H27 O2 P Pt -","- C116 H108 O8 P4 Pt4 -","4","1","","Jia, Yu-Xiang; Li, Bin-Bin; Li, Yongxin; Pullarkat, Sumod A.; Xu, Kai; Hirao, Hajime; Leung, Pak-Hing","Stereoelectronic and Catalytic Properties of Chiral Cyclometalated Phospha-palladium and -platinum Complexes","Organometallics","2014","33","21","6053","","10.1021/om500662q","","","0.71073","MoKα","","0.0218","0.0196","","","0.0382","0.0387","","","","","","0.938","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084468","9.509","0.004","18.006","0.008","42.43","0.02","90","","90","","90","","7265","6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 N4 Si -","- C42 H52 N4 Si -","- C336 H416 N32 Si8 -","8","2","","Laskowski, Nadine; Junold, Konstantin; Kupper, Claudia; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Cycloaddition Reactions with Organic 1,3-Dienes and 1,2-Diketones","Organometallics","2014","33","21","6141","","10.1021/om500787k","","","0.71073","MoKα","","0.0512","0.0388","","","0.0766","0.0818","","","","","","1.055","","","","has coordinates","178733","2020-10-21","18:00:00",""
"4084605","7.397","0.0002","18.0245","0.0004","21.8203","0.0006","90","","90","","90","","2909.24","0.13","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 Fe O4 P -","- C30 H47 Fe O4 P -","- C120 H188 Fe4 O16 P4 -","4","1","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.0439","0.0382","","","0.0879","0.0912","","","","","","1.035","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084607","7.7485","0.0002","10.6896","0.0003","34.4462","0.001","90","","90","","90","","2853.12","0.14","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 Fe O4 P -","- C31 H45 Fe O4 P -","- C124 H180 Fe4 O16 P4 -","4","1","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.0308","0.0269","","","0.058","0.0595","","","","","","1.022","","","","has coordinates","178735","2020-10-21","18:00:00",""
"4084613","8.3581","0.0004","8.5846","0.0004","27.2615","0.0014","90","","90","","90","","1956.04","0.16","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Fe O2 P -","- C23 H21 Fe O2 P -","- C92 H84 Fe4 O8 P4 -","4","1","","Korb, Marcus; Lang, Heinrich","Planar Chirality from the Chiral Pool: Diastereoselective Anionic Phospho-Fries Rearrangements at Ferrocene","Organometallics","2014","33","22","6643","","10.1021/om500953c","","","0.71073","MoKα","","0.0436","0.0385","","","0.0767","0.0788","","","","","","1.045","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084649","7.9975","0.0003","14.527","0.0005","29.6311","0.001","90","","90","","90","","3442.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H49 Cl Fe Ni P2 -","- C38 H49 Cl Fe Ni P2 -","- C152 H196 Cl4 Fe4 Ni4 P8 -","4","1","","Jover, Jesús; Miloserdov, Fedor M.; Benet-Buchholz, Jordi; Grushin, Vladimir V.; Maseras, Feliu","On the Feasibility of Nickel-Catalyzed Trifluoromethylation of Aryl Halides","Organometallics","2014","33","22","6531","","10.1021/om5008743","","","0.71073","MoKα","","0.0348","0.0282","","","0.064","0.0666","","","","","","1.026","","","","has coordinates,has disorder","178735","2020-10-21","18:00:00",""
"4084720","11.4502","0.0001","12.25515","0.0001","20.46419","0.00016","90","","90","","90","","2871.62","0.04","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 Si2 Sn -","- C30 H38 Si2 Sn -","- C120 H152 Si8 Sn4 -","4","1","","Hermeke, Julia; Mewald, Marius; Irran, Elisabeth; Oestreich, Martin","Chemoselective Tin‒Boron Exchange Aided by the Use of Dummy Ligands at the Tin Atom","Organometallics","2014","33","19","5097","","10.1021/om500851r","","x-ray","1.54184","CuKα","","0.0234","0.0225","","","0.0573","0.0577","","","","","","1.061","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084723","13.574","0.0012","14.627","0.0014","26.222","0.003","90","","90","","90","","5206.3","0.9","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Cl2 N2 Ru -","- C29 H32 Cl2 N2 Ru -","- C232 H256 Cl16 N16 Ru8 -","8","2","","Ma, Chong; Ai, Chunjin; Li, Zhefu; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Synthesis and Alkyne Insertion Reactions of NHC-Based Cyclometalated Ruthenium(II) Complexes","Organometallics","2014","33","19","5164","","10.1021/om500369g","","","0.71075","MoKα","","0.0441","0.0403","","","0.0816","0.0833","","","","","","1.074","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084724","13.617","0.0014","14.744","0.0016","26.168","0.003","90","","90","","90","","5253.7","1","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Br Cl N2 Ru -","- C29 H32 Br Cl N2 Ru -","- C232 H256 Br8 Cl8 N16 Ru8 -","8","2","","Ma, Chong; Ai, Chunjin; Li, Zhefu; Li, Bin; Song, Haibin; Xu, Shansheng; Wang, Baiquan","Synthesis and Alkyne Insertion Reactions of NHC-Based Cyclometalated Ruthenium(II) Complexes","Organometallics","2014","33","19","5164","","10.1021/om500369g","","","0.71075","MoKα","","0.0614","0.0503","","","0.1075","0.1128","","","","","","1.019","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084790","12.605","0.002","14.05","0.003","18.936","0.004","90","","90","","90","","3353.6","1.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 B K N4 O2 -","- C34 H40 B K N4 O2 -","- C136 H160 B4 K4 N16 O8 -","4","1","","Xu, Songchen; Manna, Kuntal; Ellern, Arkady; Sadow, Aaron D.","Mixed N-Heterocyclic Carbene‒Bis(oxazolinyl)borato Rhodium and Iridium Complexes in Photochemical and Thermal Oxidative Addition Reactions","Organometallics","2014","33","23","6840","","10.1021/om500891h","","","0.71073","MoKα","","0.0725","0.0449","","","0.0874","0.0986","","","","","","1.015","","","","has coordinates","178736","2020-10-21","18:00:00",""
"4084856","11.9558","0.0003","15.5372","0.0003","18.1992","0.0005","90","","90","","90","","3380.68","0.14","200","0.1","200","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl2 F6 Ir N3 P -","- C28 H37 Cl2 F6 Ir N3 P -","- C112 H148 Cl8 F24 Ir4 N12 P4 -","4","1","","Sabater, Sara; Baya, Miguel; Mata, Jose A.","Highly Active Cp*Ir Catalyst at Low Temperatures Bearing an N-Heterocyclic Carbene Ligand and a Chelated Primary Benzylamine in Transfer Hydrogenation","Organometallics","2014","33","23","6830","","10.1021/om500888d","","","0.7107","MoKα","","0.0555","0.0421","","","0.1074","0.117","","","","","","1.056","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084864","10.8501","0.0014","19.699","0.003","19.699","","90","","90","","90","","4210.4","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 O11 P Ru3 -","- C41 H39 O11 P Ru3 -","- C164 H156 O44 P4 Ru12 -","4","1","","Yuan, Jia; Han, Zhi-Jun; Peng, Hui; Pi, Yun-Xiao; Chen, You; Liu, Sheng-Hua; Yu, Guang-Ao","Indenyl Ruthenium Complexes with an Unusual η3Coordination Mode","Organometallics","2014","33","24","7325","","10.1021/om500760w","","","0.71073","MoKα","","0.0558","0.0428","","","0.0989","0.1134","","","","","","1.092","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084871","9.556","0.006","21.3","0.02","24.96","0.03","90","","90","","90","","5080","8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H65 O2 P3 Ru -","- C62 H65 O2 P3 Ru -","- C248 H260 O8 P12 Ru4 -","4","1","","Samouei, Hamidreza; Miloserdov, Fedor M.; Escudero-Adán, Eduardo C.; Grushin, Vladimir V.","Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and Related Ru(II) Complexes Used in Catalysis: A Reinvestigation","Organometallics","2014","33","24","7279","","10.1021/om5010572","","","0.71073","MoKα","","0.1006","0.0719","","","0.1653","0.1817","","","","","","1.064","","","","has coordinates","178737","2020-10-21","18:00:00",""
"4084896","19.9766","0.0005","24.9257","0.0008","28.1839","0.0009","90","","90","","90","","14033.6","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C134 H106 B2 F48 Ir2 P2 -","- C134 H106 B2 F48 Ir2 P2 -","- C536 H424 B8 F192 Ir8 P8 -","4","1","","Espada, Mar\?ía F.; Poveda, Manuel L.; Carmona, Ernesto","Reactivity of a Cationic (C5Me5)IrIII-Cyclometalated Phosphine Complex with Alkynes","Organometallics","2014","33","24","7164","","10.1021/om5009742","","","0.71073","MoKα","","0.0712","0.0599","","","0.1566","0.1633","","","","","","1.034","","","","has coordinates,has disorder","178737","2020-10-21","18:00:00",""
"4084954","8.2676","0.0003","9.1408","0.0003","30.4909","0.0011","90","","90","","90","","2304.27","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 Ir P -","- C25 H40 Ir P -","- C100 H160 Ir4 P4 -","4","1","","Campos, Jesús; Carmona, Ernesto","Rhodium and Iridium Complexes of Bulky Tertiary Phosphine Ligands. Searching for Isolable Cationic MIIIAlkylidenes","Organometallics","2015","34","11","2212","","10.1021/om500910t","","","0.71073","MoKα","","0.0434","0.0433","","","0.1107","0.1108","","","","","","1.099","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084957","21.333","0.0005","24.6786","0.0005","29.4375","0.0007","90","","90","","90","","15497.9","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C83 H94 N16 O7 Ti2 -","- C83 H94 N16 O7 Ti2 -","- C664 H752 N128 O56 Ti16 -","8","2","","Su, Ching-Kai; Chuang, Hui-Ju; Li, Chen-Yu; Yu, Chun-Yue; Ko, Bao-Tsan; Chen, Jhy-Der; Chen, Ming-Jen","Oxo-Bridged Bimetallic Group 4 Complexes Bearing Amine-Bis(benzotriazole phenolate) Derivatives as Bifunctional Catalysts for Ring-Opening Polymerization of Lactide and Copolymerization of Carbon Dioxide with Cyclohexene Oxide","Organometallics","2014","33","24","7091","","10.1021/om500784a","","","0.71073","MoKα","","0.1264","0.0618","","","0.1104","0.1314","","","","","","1.007","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4084960","8.9263","0.0018","17.961","0.004","22.275","0.005","90","","90","","90","","3571.2","1.3","99.99","0.1","99.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Si -","- C24 H18 Si -","- C192 H144 Si8 -","8","2","","Curless, Liam D.; Ingleson, Michael J.","B(C6F5)3-Catalyzed Synthesis of Benzofused-Siloles","Organometallics","2014","33","24","7241","","10.1021/om501033p","","","0.7107","MoKα","","0.0617","0.0393","","0.0897","0.0743","0.0894","","","","","","0.9984","","","","has coordinates","178738","2020-10-21","18:00:00",""
"4085002","7.1579","0.0006","16.0676","0.0012","20.6457","0.0016","90","","90","","90","","2374.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N O P -","- C26 H36 N O P -","- C104 H144 N4 O4 P4 -","4","1","","Serin, Spencer C.; Patrick, Brian O.; Dake, Gregory R.; Gates, Derek P.","Reaction of an Enantiomerically Pure Phosphaalkene-Oxazoline with MeM Nucleophiles (M = Li and MgBr): Stereoselectivity and Noninnocence of the P-Mesityl Substituent","Organometallics","2014","","","141201152116001","","10.1021/om501008m","","","0.71073","MoKα","","0.0402","0.0342","","","0.0842","0.0884","","","","","","1.021","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085046","11.0403","0.0006","11.2173","0.0006","30.0051","0.0016","90","","90","","90","","3715.9","0.3","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 B Ir N6 O9 -","- C35 H42 B Ir N6 O9 -","- C140 H168 B4 Ir4 N24 O36 -","4","1","","Vivancos, Ángela; Hernández, Yohar A.; Paneque, Margarita; Poveda, Manuel L.; Salazar, Verónica; Álvarez, Eleuterio","Formation of β-Metallanaphthalenes by the Coupling of a Benzo-Iridacyclopentadiene with Olefins","Organometallics","2015","34","1","177","","10.1021/om5010435","","","0.71073","MoKα","","0.0269","0.0262","","","0.0639","0.0642","","","","","","1.058","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085064","9.829","0.004","13.481","0.003","19.904","0.007","90","","90","","90","","2637.4","1.5","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cl2 Fe N3 O2 -","- C30 H24 Cl2 Fe N3 O2 -","- C120 H96 Cl8 Fe4 N12 O8 -","4","1","","Bauer, Gerald; Wodrich, Matthew D.; Scopelliti, Rosario; Hu, Xile","Iron Pincer Complexes as Catalysts and Intermediates in Alkyl‒Aryl Kumada Coupling Reactions","Organometallics","2015","34","1","289","","10.1021/om501122p","","","0.71073","MoKα","","0.088","0.067","","","0.1592","0.1747","","","","","","1.038","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085066","10.295","0.003","18.192","0.004","20.799","0.005","90","","90","","90","","3895.4","1.7","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 Fe N3 O4 -","- C41 H39 Fe N3 O4 -","- C164 H156 Fe4 N12 O16 -","4","1","","Bauer, Gerald; Wodrich, Matthew D.; Scopelliti, Rosario; Hu, Xile","Iron Pincer Complexes as Catalysts and Intermediates in Alkyl‒Aryl Kumada Coupling Reactions","Organometallics","2015","34","1","289","","10.1021/om501122p","","","0.71073","MoKα","","0.1084","0.0721","","","0.1602","0.1797","","","","","","0.941","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085070","14.3925","0.0008","17.5114","0.0011","18.3676","0.0011","90","","90","","90","","4629.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H79 B Br2 P2 Pt -","- C46 H79 B Br2 P2 Pt -","- C184 H316 B4 Br8 P8 Pt4 -","4","1","","Arnold, Nicole; Braunschweig, Holger; Brenner, Peter B.; Dewhurst, Rian; Kramer, Thomas; Radacki, Krzysztof","Investigation of Steric Factors Involved in the Formation of Terminal Cationic Platinum Arylborylene Complexes","Organometallics","2015","34","11","2343","","10.1021/om501141g","","","0.71073","MoKα","","0.0265","0.0229","","","0.0422","0.0428","","","","","","1.019","","","","has coordinates","178739","2020-10-21","18:00:00",""
"4085096","14.725","0.002","16.853","0.002","18.508","0.003","90","","90","","90","","4593","1.1","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H59 Al N2 O2 -","- C55 H59 Al N2 O2 -","- C220 H236 Al4 N8 O8 -","4","1","","Hao, Pengfei; Yang, Zhi; Li, Wenling; Ma, Xiaoli; Roesky, Herbert W.; Yang, Ying; Li, Jiarong","Aluminum Complexes Containing the C‒O‒Al‒O‒C Framework as Efficient Initiators for Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2015","34","1","105","","10.1021/om500950p","","","0.71073","MoKα","","0.0423","0.0399","","","0.1012","0.1031","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4085104","9.5727","0.0003","16.8679","0.0004","23.5196","0.0006","90","","90","","90","","3797.74","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H38 Cl2 Os P2 -","- C45 H38 Cl2 Os P2 -","- C180 H152 Cl8 Os4 P8 -","4","1","","Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping","Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes","Organometallics","2015","34","1","340","","10.1021/om501076z","","","0.71073","MoKα","","0.0549","0.0344","","","0.0441","0.0467","","","","","","0.768","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085108","8.6278","0.0003","13.2227","0.0004","16.0076","0.0005","90","","90","","90","","1826.19","0.1","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","DF5-55h","","","- C18 H22 I Ir O S -","- C18 H22 I Ir O S -","- C72 H88 I4 Ir4 O4 S4 -","4","1","","Frasco, Daniel A.; Sommer, Roger D.; Ison, Elon A.","ortho-C‒H Activation of Thiobenzoic Acid: Synthesis, Characterization, and Reactivity of Iridium Thiobenzoate Complexes","Organometallics","2015","34","1","275","","10.1021/om501115u","","","0.71073","MoKα","","0.0161","0.0155","","","0.0328","0.033","","","","","","1.054","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085129","9.8001","0.0005","10.5018","0.0006","16.8532","0.0009","90","","90","","90","","1734.51","0.16","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Bi -","- C21 H21 Bi -","- C84 H84 Bi4 -","4","1","","Kindra, Douglas R.; Peterson, Jeffrey K.; Ziller, Joseph W.; Evans, William J.","Synthesis and Structure of Bis- and Tris-Benzyl Bismuth Complexes","Organometallics","2015","34","1","395","","10.1021/om5010786","","","0.71073","MoKα","","0.0155","0.0142","","","0.0304","0.0307","","","","","","1.029","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085141","11.164","0.0004","14.6309","0.0005","21.7358","0.0008","90","","90","","90","","3550.3","0.2","152","2","152","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Fe2 Ge2 N4 O8 -","- C30 H40 Fe2 Ge2 N4 O8 -","- C120 H160 Fe8 Ge8 N16 O32 -","4","1","","Jana, Anukul; Huch, Volker; Rzepa, Henry S.; Scheschkewitz, David","A Molecular Complex with a Formally Neutral Iron Germanide Motif (Fe2Ge2)","Organometallics","2015","34","11","2130","","10.1021/om501286g","","","0.71073","MoKα","","0.0297","0.0227","","","0.0475","0.0496","","","","","","0.896","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085142","11.0226","0.0002","17.8671","0.0004","21.7025","0.0004","90","","90","","90","","4274.13","0.15","152","2","152","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 Fe2 Ge2 N4 O8 S -","- C37 H48 Fe2 Ge2 N4 O8 S -","- C148 H192 Fe8 Ge8 N16 O32 S4 -","4","1","","Jana, Anukul; Huch, Volker; Rzepa, Henry S.; Scheschkewitz, David","A Molecular Complex with a Formally Neutral Iron Germanide Motif (Fe2Ge2)","Organometallics","2015","34","11","2130","","10.1021/om501286g","","","0.71073","MoKα","","0.064","0.0433","","","0.0866","0.0926","","","","","","1.046","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085150","10.9468","0.0005","15.2293","0.0007","21.0704","0.0009","90","","90","","90","","3512.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H58 K N O6 Si -","- C31 H58 K N O6 Si -","- C124 H232 K4 N4 O24 Si4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","0.71073","MoKα","","0.0567","0.043","","","0.0838","0.0904","","","","","","1.046","","","","has coordinates,has disorder","178740","2020-10-21","18:00:00",""
"4085160","9.0279","0.0004","11.6831","0.0006","29.8354","0.0014","90","","90","","90","","3146.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 N P Si Zr -","- C32 H48 N P Si Zr -","- C128 H192 N4 P4 Si4 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","0.71073","MoKα","","0.0615","0.0467","","","0.0751","0.0791","","","","","","1.072","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085161","7.92432","0.0001","12.2875","0.0001","27.177","0.0003","90","","90","","90","","2646.23","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 N P Si Zr -","- C26 H44 N P Si Zr -","- C104 H176 N4 P4 Si4 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","1.54184","CuKα","","0.0234","0.0229","","","0.0563","0.0567","","","","","","1.036","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085162","9.1586","0.0003","11.4856","0.0004","31.2867","0.001","90","","90","","90","","3291.11","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 N P Si Zr -","- C34 H52 N P Si Zr -","- C136 H208 N4 P4 Si4 Zr4 -","4","1","","Fecker, Ann Christin; Crăciun, Bogdan-Florin; Schweyen, Peter; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Characterization of N-Donor-Functionalized Enantiomerically Pure Pentadienyl Ligands Derived from (1R)-(−)-Myrtenal","Organometallics","2015","34","1","146","","10.1021/om501024j","","","0.71073","MoKα","","0.0457","0.0386","","","0.0778","0.0804","","","","","","1.149","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085178","14.3427","0.0019","20.817","0.003","24.445","0.003","90","","90","","90","","7298.6","1.7","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H101 N4 P S2 Sc2 -","- C72 H101 N4 P S2 Sc2 -","- C288 H404 N16 P4 S8 Sc8 -","4","1","","Zhou, Jiliang; Li, Tengfei; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng","A Scandium Complex Bearing Both Methylidene and Phosphinidene Ligands: Synthesis, Structure, and Reactivity","Organometallics","2015","34","2","470","","10.1021/om500997j","","","0.71073","MoKα","","0.1276","0.067","","","0.1227","0.1397","","","","","","0.954","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085183","10.1664","0.0007","10.9045","0.0008","24.7776","0.0018","90","","90","","90","","2746.8","0.3","185","2","185","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 O S Sc Si2 -","- C23 H43 O S Sc Si2 -","- C92 H172 O4 S4 Sc4 Si8 -","4","1","","Chen, Runhai; Yao, Changguang; Wang, Meiyan; Xie, Hongyan; Wu, Chunji; Cui, Dongmei","Synthesis of Heterocyclic-Fused Cyclopentadienyl Scandium Complexes and the Catalysis for Copolymerization of Ethylene and Dicyclopentadiene","Organometallics","2015","34","2","455","","10.1021/om500992v","","","0.71073","MoKα","","0.0823","0.0748","","","0.193","0.2002","","","","","","1.052","","","","has coordinates","178740","2020-10-21","18:00:00",""
"4085235","12.3045","0.0015","13.5768","0.0015","13.7763","0.0015","90","","90","","90","","2301.4","0.5","193","2","193","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl Fe Ge N2 O4 -","- C19 H23 Cl Fe Ge N2 O4 -","- C76 H92 Cl4 Fe4 Ge4 N8 O16 -","4","1","","El Ezzi, Mohammad; Kocsor, Tibor-Gabor; D’Accriscio, Florian; Madec, David; Mallet-Ladeira, Sonia; Castel, Annie","Iron Complexes with Stabilized Germylenes: Syntheses and Characterizations","Organometallics","2015","34","3","571","","10.1021/om500903g","","x-ray","0.71073","MoKα","","0.0409","0.0285","","","0.0603","0.0643","","","","","","1.025","","","","has coordinates,has disorder","178741","2020-10-21","18:00:00",""
"4085384","9.2119","0.0014","17.394","0.003","27.774","0.005","90","","90","","90","","4450.3","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","complex_2b","(tBu)2(diol)2(POCOP)Ir(CO)(H)(Cl)","","- C39 H60 Cl Ir O15 P2 -","- C39 H60 Cl Ir O15 P2 -","- C156 H240 Cl4 Ir4 O60 P8 -","4","1","","Goldberg, Jonathan M.; Wong, Gene W.; Brastow, Kenzie E.; Kaminsky, Werner; Goldberg, Karen I.; Heinekey, D. Michael","The Importance of Steric Factors in Iridium Pincer Complexes","Organometallics","2015","34","4","753","","10.1021/om501166w","","","0.71073","MoKα","","0.0405","0.0262","","","0.0422","0.0454","","","","","","1.025","","","","has coordinates","178742","2020-10-21","18:00:00",""
"4085421","11.1427","0.0014","15.582","0.002","18.49","0.002","90","","90","","90","","3210.3","0.7","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 Fe N4 -","- C34 H50 Fe N4 -","- C136 H200 Fe4 N16 -","4","1","","Liu, Yuesheng; Xiao, Jie; Wang, Lei; Song, You; Deng, Liang","Carbon‒Carbon Bond Formation Reactivity of a Four-Coordinate NHC-Supported Iron(II) Phenyl Compound","Organometallics","2015","34","3","599","","10.1021/om501061b","","","0.71073","MoKα","","0.0657","0.0464","","","0.0947","0.1018","","","","","","0.982","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085423","10.7661","0.0008","16.1628","0.0013","16.8683","0.0013","90","","90","","90","","2935.3","0.4","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 Fe N4 -","- C30 H48 Fe N4 -","- C120 H192 Fe4 N16 -","4","1","","Liu, Yuesheng; Xiao, Jie; Wang, Lei; Song, You; Deng, Liang","Carbon‒Carbon Bond Formation Reactivity of a Four-Coordinate NHC-Supported Iron(II) Phenyl Compound","Organometallics","2015","34","3","599","","10.1021/om501061b","","","0.71073","MoKα","","0.0381","0.0296","","","0.0653","0.0682","","","","","","1.014","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085443","11.3544","0.0001","13.5157","0.0001","36.5585","0.0004","90","","90","","90","","5610.36","0.09","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H36 B F20 O2 P Zr -","- C63 H36 B F20 O2 P Zr -","- C252 H144 B4 F80 O8 P4 Zr4 -","4","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Frustrated Lewis Pair Behavior of [Cp2ZrOCR2CH2PPh2]+Cations","Organometallics","2015","34","11","2655","","10.1021/om501312a","","","0.71073","MoKα","","0.0587","0.0479","","","0.0913","0.0983","","","","","","1.13","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085457","13.6093","0.001","15.4875","0.0011","16.3073","0.0012","90","","90","","90","","3437.2","0.4","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 Cl4 P2 Ru Si -","- C31 H48 Cl4 P2 Ru Si -","- C124 H192 Cl16 P8 Ru4 Si4 -","4","1","","Bernal, María J.; Martín, Marta; Sola, Eduardo","Allenyl to Alkenylcarbyne Tautomerization at the Ru‒Si Bond of Ru(κP,P,Si) Pincer Complexes","Organometallics","2015","34","4","800","","10.1021/om501238d","","","0.71073","MoKα","","0.0467","0.0301","","","0.0482","0.0515","","","","","","0.912","","","","has coordinates","178743","2020-10-21","18:00:00",""
"4085511","7.5071","0.0004","11.2684","0.0005","21.8034","0.0013","90","","90","","90","","1844.42","0.17","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Fe N Si3 -","- C16 H27 Fe N Si3 -","- C64 H108 Fe4 N4 Si12 -","4","1","","Musgrave, Rebecca A.; Russell, Andrew D.; Whittell, George R.; Haddow, Mairi F.; Manners, Ian","Tuning the Polymerization Behavior of Silicon-Bridged [1]Ferrocenophanes Using Bulky Substituents","Organometallics","2015","34","5","897","","10.1021/om5012598","","","0.71073","MoKα","","0.1029","0.057","","","0.0906","0.1024","","","","","","0.992","","","","has coordinates","178744","2020-10-21","18:00:00",""
"4085535","11.5832","0.0003","11.9827","0.0004","16.3451","0.0005","90","","90","","90","","2268.67","0.12","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl2 N2 Zn -","- C26 H20 Cl2 N2 Zn -","- C104 H80 Cl8 N8 Zn4 -","4","1","","Evans, Daniel A.; Lee, Lucia Myongwon; Vargas-Baca, Ignacio; Cowley, Alan H.","Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents","Organometallics","2015","34","11","2422","","10.1021/om501191c","","","0.71073","MoKα","","0.0569","0.05","","","0.1348","0.1431","","","","","","1.08","","","","has coordinates,has disorder","178744","2020-10-21","18:00:00",""
"4085604","11.9375","0.0006","17.6813","0.0008","19.8625","0.0009","90","","90","","90","","4192.4","0.3","100","2","100","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C39 H30 Ag Cl F6 Ir N O5 P2 S2 -","- C39 H30 Ag Cl F6 Ir N O5 P2 S2 -","- C156 H120 Ag4 Cl4 F24 Ir4 N4 O20 P8 S8 -","4","1","","Bohle, D. Scott; Chua, Zhijie","Iridium(I) Complexes of π-Acidic Carboxamides","Organometallics","2015","34","6","1074","","10.1021/om5012787","","","0.71073","MoKα","","0.0276","0.024","","","0.0499","0.0508","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4085639","13.7911","0.0017","19.584","0.003","22.609","0.003","90","","90","","90","","6106.3","1.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29.5 H28 Au Cl2 F N3 O1.5 -","- C29.5 H28 Au Cl2 F N3 O1.5 -","- C236 H224 Au8 Cl16 F8 N24 O12 -","8","2","","Espina, Manuela; Rivilla, Ivan; Conde, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Chiral, Sterically Demanding N-Heterocyclic Carbenes Fused into a Heterobiaryl Skeleton: Design, Synthesis, and Structural Analysis","Organometallics","2015","","","150320082744001","","10.1021/acs.organomet.5b00046","","","0.71073","MoKα","","0.1389","0.0583","","","0.1384","0.1742","","","","","","1.013","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085643","25.696","0.006","11.568","0.003","7.74","0.002","90","","90","","90","","2300.7","1","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 Fe -","- C28 H34 Fe -","- C112 H136 Fe4 -","4","1","","Arae, Sachie; Nakajima, Kiyohiko; Takahashi, Tamotsu; Ogasawara, Masamichi","Enantioselective Desymmetrization of 1,2,3-Trisubstituted Metallocenes by Molybdenum-Catalyzed Asymmetric Intraannular Ring-Closing Metathesis","Organometallics","2015","34","7","1197","","10.1021/om5011484","","","0.71075","MoKα","","0.0538","0.0339","","","0.0737","0.081","","","","","","1.023","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085658","9.9375","0.0007","15.943","0.002","22.152","0.003","90","","90","","90","","3509.6","0.7","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tris-(2-((dimethylamino)methyl)phenyl)- bis-(tetrahydrofurane)- tin-lithium","","- C35 H52 Li N3 O2 Sn -","- C35 H52 Li N3 O2 Sn -","- C140 H208 Li4 N12 O8 Sn4 -","4","1","","Jastrzebski, Johann T. B. H.; van Klaveren, Mayra; van Koten, Gerard","Stable Divalent Triarylstannates R3SnLi Derived from 2-[(Dimethylamino)methyl]phenyllithium and SnCl2or R2Sn","Organometallics","2015","34","11","2600","","10.1021/om5012215","","","0.71073","MoKα","","0.0268","0.0239","","","0.0585","0.0595","","","","","","1.055","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085659","10.0617","0.0006","15.8787","0.0007","20.0617","0.001","90","","90","","90","","3205.2","0.3","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tris-(2-((dimethylamino)methyl)phenyl)-(tetrahydrofuran)-tin-lithium","","- C31 H44 Li N3 O Sn -","- C31 H44 Li N3 O Sn -","- C124 H176 Li4 N12 O4 Sn4 -","4","1","","Jastrzebski, Johann T. B. H.; van Klaveren, Mayra; van Koten, Gerard","Stable Divalent Triarylstannates R3SnLi Derived from 2-[(Dimethylamino)methyl]phenyllithium and SnCl2or R2Sn","Organometallics","2015","34","11","2600","","10.1021/om5012215","","","0.71073","MoKα","","0.152","0.0628","","","0.1191","0.1415","","","","","","0.836","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085662","8.6705","0.001","22.546","0.003","22.704","0.003","90","","90","","90","","4438.3","1","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H71 Al Cl2 Si2 Zr -","- C42 H71 Al Cl2 Si2 Zr -","- C168 H284 Al4 Cl8 Si8 Zr4 -","4","1","","Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto","Aluminabenzene‒Zirconium Complexes: Intramolecular Coordination of Chloride to Aluminum","Organometallics","2015","34","5","813","","10.1021/acs.organomet.5b00073","","","0.71075","MoKα","","0.0675","0.0585","","","0.1415","0.1507","","","","","","1.072","","","","has coordinates","178745","2020-10-21","18:00:00",""
"4085685","4.5545","0.0006","11.9317","0.0016","26.523","0.004","90","","90","","90","","1441.3","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl 2-azido-4,6-O-benzylidene-2-deoxy-alpha-D-idopyranoside","(2S,3S,4R,5S,6R,9S)-4-azido-6-hydroxymethyl-2-methoxy-1-oxa- cyclohexane-3,5-diol benzaldehyde 5,7-acetal","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.044","0.036","","","0.0827","0.0864","","","","","","0.883","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4085686","4.8575","0.001","12.347","0.002","23.777","0.005","90","","90","","90","","1426","0.5","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl 2-azido-4,6-O-benzylidene-2-deoxy-alpha-D-idopyranoside","(2S,3S,4S,5S,6R,9S)-3-azido-6-hydroxymethyl-2-methoxy-1-oxa- cyclohexane-4,5-diol benzaldehyde 5,7-acetal","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0546","0.0415","","","0.0858","0.0921","","","","","","1.027","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4085687","8.5224","0.0009","9.6975","0.001","19.462","0.002","90","","90","","90","","1608.5","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl 4,6-O-benzylidene-2,3-diazido-2,3-dideoxy-alpha-D-talopyranoside","(2S,3S,4R,5S,6R,9S)-3,4-diazido-6-hydroxymethyl-2-methoxy-1-oxa- cyclohexane-5-ol benzaldehyde 5,7-acetal","","- C14 H16 N6 O4 -","- C14 H16 N6 O4 -","- C56 H64 N24 O16 -","4","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0531","0.0396","","","0.0771","0.0811","","","","","","0.97","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085688","12.6278","0.0015","16.231","0.002","35.695","0.004","90","","90","","90","","7316.1","1.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","[T-4-S]-chlorido(methyl 4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-glucopyranoside)-pentamethyl-pentahapto-cyclopentadienyliridium(III) tetrafluoridoborate","","- C24 H35 B Cl F4 Ir N2 O4 -","- C24 H35 B Cl F4 Ir N2 O4 -","- C192 H280 B8 Cl8 F32 Ir8 N16 O32 -","8","2","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0706","0.0513","","","0.1122","0.1186","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085689","12.5626","0.0002","16.1979","0.0003","35.5225","0.0007","90","","90","","90","","7228.4","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","[T-4-S]-chlorido(methyl 4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-glucopyranoside)-pentamethyl-pentahapto-cyclopentadienylrhodium(III) tetrafluoridoborate","","- C24 H35 B Cl F4 N2 O4 Rh -","- C24 H35 B Cl F4 N2 O4 Rh -","- C192 H280 B8 Cl8 F32 N16 O32 Rh8 -","8","2","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0698","0.0556","","","0.1471","0.1554","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085691","8.5697","0.0004","15.5205","0.0007","23.1856","0.001","90","","90","","90","","3083.8","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","[T-4-R]-chlorido(methyl 4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-gulopyranoside)-pentamethyl-pentahapto-cyclopentadienylrhodium(III) tetrafluoridoborate acetone","","- C27 H41 B Cl F4 N2 O5 Rh -","- C27 H41 B Cl F4 N2 O5 Rh -","- C108 H164 B4 Cl4 F16 N8 O20 Rh4 -","4","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0673","0.056","","","0.1152","0.1199","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085692","12.7327","0.0001","12.8528","0.0001","20.4257","0.0001","90","","90","","90","","3342.68","0.04","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","[T-4-S]-chlorido(methyl 4,6-O-benzylidene-2,3-diamino-2,3-dideoxy-alpha-D-talopyranoside)-pentamethyl-pentahapto-cyclopentadienylrhodium(III) tetrafluoridoborate bisdichloromethane","","- C26 H39 B Cl5 F4 N2 O4 Rh -","- C26 H39 B Cl5 F4 N2 O4 Rh -","- C104 H156 B4 Cl20 F16 N8 O16 Rh4 -","4","1","","Böge, Matthias; Fowelin, Christian; Bednarski, Patrick; Heck, Jürgen","Diaminohexopyranosides as Ligands in Half-Sandwich Ruthenium(II), Rhodium(III), and Iridium(III) Complexes","Organometallics","2015","34","8","1507","","10.1021/om5013117","","","0.71073","MoKα","","0.0338","0.0292","","","0.0643","0.067","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085702","13.1377","0.001","16.7133","0.0013","19.9374","0.0016","90","","90","","90","","4377.7","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 Br4 P4 Pt2 -","- C34 H64 Br4 P4 Pt2 -","- C136 H256 Br16 P16 Pt8 -","4","1","","Raphael Karikachery, Alice; Masjedi, Mehdi; Sharp, Paul R.","Thermal and Photochemical Ring-Bromination in Naphthyl-, Naphthdiyl-, and Dicarboximideperyl-Platinum Complexes","Organometallics","2015","34","9","1635","","10.1021/om501322f","","","0.71073","MoKα","","0.0584","0.0426","","","0.0968","0.1061","","","","","","1.047","","","","has coordinates,has disorder","140249","2020-10-21","18:00:00",""
"4085725","10.5614","0.0002","13.1538","0.0002","18.8915","0.0004","90","","90","","90","","2624.46","0.08","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl2 O4 P2 Ru -","- C22 H30 Cl2 O4 P2 Ru -","- C88 H120 Cl8 O16 P8 Ru4 -","4","1","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","Ruthenium Carbonyl Complexes Bearing Secondary Phosphine Oxides and Phosphinous Acids: Synthesis, Characterization, and Application in Catalysis","Organometallics","2015","34","10","1864","","10.1021/om501300p","","x-ray","0.71073","MoKα","","0.0557","0.0308","","","0.0606","0.0658","","","","","","1.002","","","","has coordinates","140188","2020-10-21","18:00:00",""
"4085778","13.6511","0.0016","19.562","0.002","30.787","0.004","90","","90","","90","","8221.4","1.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C89 H116 N2 O4 Rh2 S4 -","- C89 H116 N2 O4 Rh2 S4 -","- C356 H464 N8 O16 Rh8 S16 -","4","1","","Locke, Harald; Herrera, Alberto; Heinemann, Frank W.; Linden, Anthony; Frieß, Sibylle; Schmid, Bernhard; Dorta, Romano","Chiral (SO)‒N‒(SO) Sulfoxide Pincer Complexes of Mg, Rh, and Ir: N‒H Activation and Selective Sulfoxide Reduction upon Ligand Coordination","Organometallics","2015","34","10","1925","","10.1021/acs.organomet.5b00178","","","0.71073","MoKα","","0.0416","0.034","","","0.0702","0.0735","","","","","","1.052","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085816","6.965","0.0011","8.7743","0.0014","25.862","0.004","90","","90","","90","","1580.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Al N2 -","- C15 H21 Al N2 -","- C60 H84 Al4 N8 -","4","1","","Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Feng, Zhijun; Guo, Liping; Zhu, Xiancui; Mu, Xiaolong; Yao, Fangshi","Aluminum Alkyl Complexes Supported by Bidentate N,N Ligands: Synthesis, Structure, and Catalytic Activity for Guanylation of Amines","Organometallics","2015","34","10","1882","","10.1021/acs.organomet.5b00101","","","0.71073","MoKα","","0.0687","0.0419","","","0.0972","0.108","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4085818","9.5117","0.0008","12.111","0.001","15.6113","0.0013","90","","90","","90","","1798.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Al N2 -","- C19 H21 Al N2 -","- C76 H84 Al4 N8 -","4","1","","Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Feng, Zhijun; Guo, Liping; Zhu, Xiancui; Mu, Xiaolong; Yao, Fangshi","Aluminum Alkyl Complexes Supported by Bidentate N,N Ligands: Synthesis, Structure, and Catalytic Activity for Guanylation of Amines","Organometallics","2015","34","10","1882","","10.1021/acs.organomet.5b00101","","","0.71073","MoKα","","0.0565","0.0431","","","0.1132","0.1245","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085819","11.8395","0.0009","12.5102","0.001","13.0265","0.0011","90","","90","","90","","1929.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Al N2 -","- C21 H25 Al N2 -","- C84 H100 Al4 N8 -","4","1","","Wei, Yun; Wang, Shaowu; Zhou, Shuangliu; Feng, Zhijun; Guo, Liping; Zhu, Xiancui; Mu, Xiaolong; Yao, Fangshi","Aluminum Alkyl Complexes Supported by Bidentate N,N Ligands: Synthesis, Structure, and Catalytic Activity for Guanylation of Amines","Organometallics","2015","34","10","1882","","10.1021/acs.organomet.5b00101","","","0.71073","MoKα","","0.0663","0.0392","","","0.0868","0.0984","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085842","9.6031","0.0013","14.944","0.002","17.795","0.002","90","","90","","90","","2553.7","0.6","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 Cl N3 Ta -","- C26 H35 Cl N3 Ta -","- C104 H140 Cl4 N12 Ta4 -","4","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0276","0.0248","","","0.0544","0.0555","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085857","9.5686","0.0016","12.125","0.002","22.251","0.004","90","","90","","90","","2581.5","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 N2 Ta -","- C29 H39 N2 Ta -","- C116 H156 N8 Ta4 -","4","1","","Sattler, Aaron; Parkin, Gerard","Synthesis, Structural Characterization, and Cyclometalation Chemistry of Tantalum Terphenyl Compounds","Organometallics","2015","34","10","1828","","10.1021/acs.organomet.5b00158","","","0.71073","MoKα","","0.0534","0.0375","","","0.0602","0.0653","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085904","9.62126","0.00017","18.4902","0.0004","20.0628","0.0005","90","","90","","90","","3569.15","0.13","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H30 Cl4 Ni O P2 -","- C38 H30 Cl4 Ni O P2 -","- C152 H120 Cl16 Ni4 O4 P8 -","4","1","","Saes, Bartholomeus W. H.; Verhoeven, Dide G. A.; Lutz, Martin; Klein Gebbink, Robertus J. M.; Moret, Marc-Etienne","Coordination of a Diphosphine‒Ketone Ligand to Ni(0), Ni(I), and Ni(II): Reduction-Induced Coordination","Organometallics","2015","34","12","2710","","10.1021/acs.organomet.5b00264","","","0.71073","MoKα","","0.0314","0.0292","","","0.0831","0.0846","","","","","","1.044","","","","has coordinates","140210","2020-10-21","18:00:00",""
"4085946","11.393","0.0002","12.1235","0.0002","16.8329","0.0002","90","","90","","90","","2325.01","0.06","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 B N O3 S Si -","- C24 H30 B N O3 S Si -","- C96 H120 B4 N4 O12 S4 Si4 -","4","1","","Brzozowska, Aleksandra; Ćwik, Paweł; Durka, Krzysztof; Kliś, Tomasz; Laudy, Agnieszka E.; Luliński, Sergiusz; Serwatowski, Janusz; Tyski, Stefan; Urban, Mateusz; Wróblewski, Wojciech","Benzosiloxaboroles: Silicon Benzoxaborole Congeners with Improved Lewis Acidity, High Diol Affinity, and Potent Bioactivity","Organometallics","2015","34","12","2924","","10.1021/acs.organomet.5b00265","","","0.71073","MoKα","","0.0371","0.033","","","0.0839","0.0864","","","","","","1.048","","","","has coordinates","140204","2020-10-21","18:00:00",""
"4085978","7.6504","0.0004","15.5039","0.0007","17.5002","0.0008","90","","90","","90","","2075.72","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 B Co F4 O -","- C21 H30 B Co F4 O -","- C84 H120 B4 Co4 F16 O4 -","4","1","","Ylijoki, Kai E. O.; Kirk, Andrew D.; Böcklein, Sebastian; Witherell, Ross D.; Stryker, Jeffrey M.","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition Reactions: Substitution Effects, Bicyclic Synthesis, and Photochemical η4-Cycloheptadiene Demetalation","Organometallics","2015","34","13","3335","","10.1021/acs.organomet.5b00346","","","0.71073","MoKα","","0.037","0.0361","","","0.0955","0.0961","","","","","","1.115","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4085981","14.517","0.002","16.851","0.003","19.123","0.003","90","","90","","90","","4678","1.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H49 Cl Ir2 N2 O2 P2 S -","- C44 H49 Cl Ir2 N2 O2 P2 S -","- C176 H196 Cl4 Ir8 N8 O8 P8 S4 -","4","1","","Oldenhof, Sander; Terrade, Frederic G.; Lutz, Martin; van der Vlugt, Jarl Ivar; Reek, Joost N. H.","Formation and Site-Selective Reactivity of a Nonsymmetric Dinuclear Iridium BisMETAMORPhos Complex","Organometallics","2015","34","13","3209","","10.1021/acs.organomet.5b00249","","","0.71073","MoKα","","0.02","0.0189","","","0.0418","0.0421","","","","","","1.134","","","","has coordinates,has disorder","152885","2020-10-21","18:00:00",""
"4086010","9.2672","0.0005","13.6532","0.0006","32.043","0.0016","90","","90","","90","","4054.3","0.3","180","","180","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 F26 N2 -","- C36 H34 F26 N2 -","- C144 H136 F104 N8 -","4","1","","Hošek, Jan; Rybáčková, Markéta; Čejka, Jan; Cvačka, Josef; Kvíčala, Jaroslav","Synthesis of Heavy Fluorous Ruthenium Metathesis Catalysts Using the Stereoselective Addition of Polyfluoroalkyllithium to Sterically Hindered Diimines","Organometallics","2015","34","13","3327","","10.1021/acs.organomet.5b00325","","","1.54184","CuKα","","0.091","0.0854","","0.2547","0.2507","0.2547","","","","","","0.9974","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4086069","9.3971","","9.4013","","27.0781","","90","","90","","90","","2392.21","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Si (C H2 I)4","","- C4 H8 I4 Si -","- C4 H8 I4 Si -","- C32 H64 I32 Si8 -","8","2","","Ilg, R.; Troegel, D.; Burschka, C.; Tacke, R.","Tetrafunctional silanes of the formula type Si (C H2)4 X (X = S Ac, S H, O Ac, O H, Br, I)","Organometallics","2006","25","","548","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086105","12.5393","0.0004","14.864","0.0005","15.3966","0.0005","90","","90","","90","","2869.68","0.16","150","2","150","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 Cl F6 O P2 Ru -","- C29 H31 Cl F6 O P2 Ru -","- C116 H124 Cl4 F24 O4 P8 Ru4 -","4","1","","Díaz-Álvarez, Alba E.; Vidal, Cristian; Suárez, Francisco J.; Díez, Josefina; Cadierno, Victorio; Crochet, Pascale","C‒H versus O‒H Bond Activation in Phosphino-alcohol Ligands: Synthesis of the α-Hydroxy-alkyl Ruthenium(II) Derivatives [RuCl{κ2(P,C)-Ph2PC6H4C(R)OH}(η6-arene)]","Organometallics","2015","34","15","3670","","10.1021/acs.organomet.5b00074","","","1.5418","CuKα","","0.0563","0.049","","","0.106","0.1233","","","","","","1.099","","","","has coordinates,has disorder","154726","2020-10-21","18:00:00",""
"4086106","10.9175","0.0003","16.5361","0.0005","29.2612","0.0009","90","","90","","90","","5282.6","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C54 H55 Cl4 F6 N4 O2 P3 Pd -","- C54 H55 Cl4 F6 N4 O2 P3 Pd -","- C216 H220 Cl16 F24 N16 O8 P12 Pd4 -","4","1","","Bravo, Maritza J.; Ceder, Rosa M.; Grabulosa, Arnald; Muller, Guillermo; Rocamora, Mercè; Bayón, J. Carles; Peral, Daniel","Metal Complexes Containing Enantiopure Bis(diamidophosphite) Ligands in Asymmetric Allylic Substitution and Hydroformylation Reactions","Organometallics","2015","34","15","3799","","10.1021/acs.organomet.5b00457","","","0.71073","MoKα","","0.0481","0.0396","","","0.0926","0.0975","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086132","9.3629","0.0017","17.807","0.003","20.791","0.003","90","","90","","90","","3466.4","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H36 N2 O5 Ru2 -","- C39 H36 N2 O5 Ru2 -","- C156 H144 N8 O20 Ru8 -","4","1","","Zhang, Xingyue; Lu, Zhiyao; Foellmer, Lena K.; Williams, Travis J.","Nitrogen-Based Ligands Accelerate Ammonia Borane Dehydrogenation with the Shvo Catalyst","Organometallics","2015","34","15","3732","","10.1021/acs.organomet.5b00409","","","0.71073","MoKα","","0.0473","0.033","","","0.0666","0.0711","","","","","","1.026","","","","has coordinates","154733","2020-10-21","18:00:00",""
"4086135","11.054","0.007","12.843","0.008","13.303","0.008","90","","90","","90","","1889","2","120","2","120","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl N2 P Pd -","- C18 H26 Cl N2 P Pd -","- C72 H104 Cl4 N8 P4 Pd4 -","4","1","","Bailey, Wilson D.; Luconi, Lapo; Rossin, Andrea; Yakhvarov, Dmitry; Flowers, Sarah E.; Kaminsky, Werner; Kemp, Richard A.; Giambastiani, Giuliano; Goldberg, Karen I.","Pyrazole-Based PCN Pincer Complexes of Palladium(II): Mono- and Dinuclear Hydroxide Complexes and Ligand Rollover C‒H Activation","Organometallics","2015","34","16","3998","","10.1021/acs.organomet.5b00355","","x-ray","0.71069","MoKα","","0.1091","0.064","","","0.0895","0.1084","","","","","","0.981","","","","has coordinates","154741","2020-10-21","18:00:00",""
"4086164","9.5405","0.0003","10.905","0.0003","13.2198","0.0004","90","","90","","90","","1375.38","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13.01 H20.02 Cl N O W -","- C13.012 H20.02 Cl1.004 N1.004 O1.004 W -","- C52.048 H80.08 Cl4.016 N4.016 O4.016 W4 -","4","1","","Baillie, Rhett A.; Wakeham, Russell J.; Lefèvre, Guillaume P.; Béthegnies, Aurélien; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Thermal Chemistry of Cp*W(NO)(H)(η3-allyl) Complexes","Organometallics","2015","34","13","3428","","10.1021/acs.organomet.5b00426","","x-ray","0.71073","MoKα","","0.0211","0.0199","","","0.0411","0.0415","","","","","","1.122","","","","has coordinates,has disorder","152774","2020-10-21","18:00:00",""
"4086175","8.6775","0.0008","13.043","0.0012","18.9916","0.0018","90","","90","","90","","2149.5","0.3","168","2","168","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 Cl2 N4 Pt -","- C18 H32 Cl2 N4 Pt -","- C72 H128 Cl8 N16 Pt4 -","4","1","","Hering, Florian; Radius, Udo","From NHC to Imidazolyl Ligand: Synthesis of Platinum and Palladium Complexes d10-[M(NHC)2] (M = Pd, Pt) of the NHC 1,3-Diisopropylimidazolin-2-ylidene","Organometallics","2015","34","13","3236","","10.1021/acs.organomet.5b00277","","","0.71073","MoKα","","0.0137","0.0134","","","0.0325","0.0326","","","","","","1.095","","","","has coordinates","152779","2020-10-21","18:00:00",""
"4086179","8.186","0.0004","17.9079","0.0009","21.7954","0.0011","90","","90","","90","","3195.1","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 P2 Pt Si -","- C33 H48 P2 Pt Si -","- C132 H192 P8 Pt4 Si4 -","4","1","","DeMott, Jessica C.; Gu, Weixing; McCulloch, Billy J.; Herbert, David E.; Goshert, Mitchell D.; Walensky, Justin R.; Zhou, Jia; Ozerov, Oleg V.","Silyl‒Silylene Interplay in Cationic PSiP Pincer Complexes of Platinum","Organometallics","2015","34","16","3930","","10.1021/acs.organomet.5b00596","","","0.71073","MoKα","","0.0204","0.0188","","","0.0387","0.0392","","","","","","0.908","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086199","9.4325","0.0019","9.849","0.002","15.54","0.003","90","","90","","90","","1443.7","0.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 Cl Fe2 O7 P S -","- C8 H4 Cl Fe2 O7 P S -","- C32 H16 Cl4 Fe8 O28 P4 S4 -","4","1","","Song, Li-Cheng; Gu, Zhen-Chao; Zhang, Wei-Wei; Li, Qian-Li; Wang, Yong-Xiang; Wang, Hong-Fa","Synthesis, Structure, and Electrocatalysis of Butterfly [Fe2SP] Cluster Complexes Relevant to [FeFe]-Hydrogenases","Organometallics","2015","34","16","4147","","10.1021/acs.organomet.5b00560","","","0.71073","MoKα","","0.0385","0.0289","","","0.046","0.0487","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4086236","9.2717","0.0014","12.6044","0.0019","16.25","0.002","90","","90","","90","","1899","0.5","128","2","128","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 O Y -","- C22 H29 O Y -","- C88 H116 O4 Y4 -","4","1","","Corbey, Jordan F.; Woen, David H.; Palumbo, Chad T.; Fieser, Megan E.; Ziller, Joseph W.; Furche, Filipp; Evans, William J.","Ligand Effects in the Synthesis of Ln2+Complexes by Reduction of Tris(cyclopentadienyl) Precursors Including C‒H Bond Activation of an Indenyl Anion","Organometallics","2015","34","15","3909","","10.1021/acs.organomet.5b00500","","","0.71073","MoKα","","0.0502","0.0363","","","0.0871","0.0921","","","","","","1.056","","","","has coordinates","154505","2020-10-21","18:00:00",""
"4086241","9.6342","","11.4977","","21.581","","90","","90","","90","","2390.55","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((Re (C O)4) H (Os (C O)3)4)","","- C16 H O16 Os4 Re -","- C16 H O16 Os4 Re -","- C64 H4 O64 Os16 Re4 -","4","1","","Canal, J.P.; Yap, G.P.A.; Pomeroy, R.K.","The Re Os4 (mue-H) (C O)n (n= 19, 18, 16) clusters","Organometallics","2003","22","","3439","3447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086257","13.9031","0.0003","16.1632","0.0004","16.5945","0.0004","90","","90","","90","","3729.09","0.15","123","0.1","123","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H57 Cl2 N4 O4 P Pd -","- C32 H57 Cl2 N4 O4 P Pd -","- C128 H228 Cl8 N16 O16 P4 Pd4 -","4","1","","Knorn, Matthias; Lutsker, Eugen; Reiser, Oliver","Synthesis of New Chiral Bidentate Isonitrile‒Acyclic Diaminocarbene Palladium(II) Compounds and Their Catalytic Activity","Organometallics","2015","34","18","4515","","10.1021/acs.organomet.5b00516","","","1.54184","CuKα","","0.0529","0.0487","","","0.1296","0.1342","","","","","","1.034","","","","has coordinates","160427","2020-10-21","18:00:00",""
"4086258","12.9145","0.00009","18.8371","0.0001","24.4015","0.00013","90","","90","","90","","5936.2","0.06","123","","123.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 Cl2 N3 O3 P Pd -","- C24 H38 Cl2 N3 O3 P Pd -","- C192 H304 Cl16 N24 O24 P8 Pd8 -","8","2","","Knorn, Matthias; Lutsker, Eugen; Reiser, Oliver","Synthesis of New Chiral Bidentate Isonitrile‒Acyclic Diaminocarbene Palladium(II) Compounds and Their Catalytic Activity","Organometallics","2015","34","18","4515","","10.1021/acs.organomet.5b00516","","","1.54184","CuKα","","0.0353","0.0349","","","0.0882","0.0888","","","","","","1.029","","","","has coordinates","160428","2020-10-21","18:00:00",""
"4086278","14.0587","0.0005","14.2422","0.0005","18.4208","0.0006","90","","90","","90","","3688.3","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 Fe O6 P2 Pd2 -","- C36 H44 Fe O6 P2 Pd2 -","- C144 H176 Fe4 O24 P8 Pd8 -","4","1","","Horak, Kyle T.; Lin, Sibo; Rittle, Jonathan; Agapie, Theodor","Heterometallic Effects in Trinuclear Complexes Supported byp-Terphenyl Diphosphine Ligands","Organometallics","2015","34","18","4429","","10.1021/acs.organomet.5b00579","","","0.71073","MoKα","","0.0644","0.0325","","","0.0638","0.0762","","","","","","1.07","","","","has coordinates","160433","2020-10-21","18:00:00",""
"4086288","7.9032","0.0005","19.0147","0.0014","21.3182","0.0014","90","","90","","90","","3203.6","0.4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 Co F3 O P3 -","- C36 H33 Co F3 O P3 -","- C144 H132 Co4 F12 O4 P12 -","4","1","","Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom","Tetracarbonyl(trifluoromethyl)cobalt(I) [Co(CO)4(CF3)] as a Precursor to New Cobalt Trifluoromethyl and Difluorocarbene Complexes","Organometallics","2015","34","18","4598","","10.1021/acs.organomet.5b00674","","","0.71073","MoKα","","0.0626","0.0405","","","0.0689","0.0757","","","","","","1.011","","","","has coordinates","160437","2020-10-21","18:00:00",""
"4086314","11.205","","14.461","","21.246","","90","","90","","90","","3442.61","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Os7 (C O)20 (S)2","","- C20 O20 Os7 S2 -","- C20 O20 Os7 S2 -","- C80 O80 Os28 S8 -","4","1","","Adams, R.D.; Horvath, I.T.; Mathur, P.; Segmueller, B.E.; Yang, L.W.","4. The Role of Sulfido Ligands in the Synthesis of High Nuclearity Metal Carbonyl Cluster Compounds. The Synthesis of Os4(CO)13(mue 3-S)2 and Os7(CO)20(mue 4-S)2 and the ...structure of Os7 (CO)20(mue 4-S)2","Organometallics","1983","2","","1078","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","161230","2020-10-21","18:00:00",""
"4086369","8.7025","0.0004","11.0106","0.0005","24.1632","0.0012","90","","90","","90","","2315.31","0.19","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cl N P S Si -","- C23 H27 Cl N P S Si -","- C92 H108 Cl4 N4 P4 S4 Si4 -","4","1","","Molitor, Sebastian; Schwarz, Christopher; Gessner, Viktoria H.","Mono- and Bis-Cyclometalated Palladium Complexes: Synthesis, Characterization, and Catalytic Activity","Organometallics","2016","35","2","159","","10.1021/acs.organomet.5b00903","","","0.71073","MoKα","","0.0198","0.019","","","0.0499","0.0504","","","","","","1.05","","","","has coordinates","175807","2020-10-21","18:00:00",""
"4086393","10.3171","0.0007","15.3059","0.0011","18.2283","0.0013","90","","90","","90","","2878.5","0.4","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","wb27may2","","","- C33 H39 Mo N P2 -","- C33 H39 Mo N P2 -","- C132 H156 Mo4 N4 P8 -","4","1","","Zhang, Yuanyuan; Williard, Paul G.; Bernskoetter, Wesley H.","Synthesis and Characterization of Pincer-Molybdenum Precatalysts for CO2Hydrogenation","Organometallics","2016","35","6","860","","10.1021/acs.organomet.5b00955","","","0.71073","","","0.0244","0.0212","","","0.0522","0.0541","","","","","","1.002","","","","has coordinates","182512","2020-10-21","18:00:00",""
"4086408","8.4255","0.0006","13.2575","0.001","25.0656","0.0019","90","","90","","90","","2799.9","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Cl3 Ir N3 O4 S -","- C25 H31 Cl3 Ir N3 O4 S -","- C100 H124 Cl12 Ir4 N12 O16 S4 -","4","1","","Ruff, Andrew; Kirby, Christopher; Chan, Benny C.; O'Connor, Abby R.","Base-Free Transfer Hydrogenation of Ketones Using Cp*Ir(pyridinesulfonamide)Cl Precatalysts","Organometallics","2016","35","","327","335","10.1021/acs.organomet.5b00864","","","0.71073","MoKα","","0.036","0.0304","","","0.0505","0.0522","","","","","","0.975","","","","has coordinates","275245","2022-05-09","01:24:25",""
"4086435","11.9995","0.0005","12.218","0.0006","12.4666","0.0006","90","","90","","90","","1827.73","0.15","101.9","","101.9","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N2 Na O -","- C20 H25 N2 Na O -","- C80 H100 N8 Na4 O4 -","4","1","","Lichtenberg, Crispin","Aminotroponiminates: Alkali Metal Compounds Reveal Unprecedented Coordination Modes","Organometallics","2016","35","6","894","","10.1021/acs.organomet.6b00042","","","0.71073","MoKα","","0.0417","0.0352","","","0.0841","0.0878","","","","","","1.039","","","","has coordinates","182513","2020-10-21","18:00:00",""
"4086452","8.5992","0.0006","18.2258","0.0012","20.492","0.0014","90","","90","","90","","3211.7","0.4","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 Ge2 N4 -","- C32 H46 Ge2 N4 -","- C128 H184 Ge8 N16 -","4","1","","Seow, Celestine; Xi, Hong-Wei; Li, Yongxin; So, Cheuk-Wai","Synthesis of a Germylidenide Anion from the C‒C Bond Activation of a Bis(germylene)","Organometallics","2016","35","8","1060","","10.1021/acs.organomet.5b01001","","","0.71073","MoKα","","0.0494","0.0353","","","0.0646","0.0684","","","","","","0.991","","","","has coordinates","182519","2020-10-21","18:00:00",""
"4086459","5.8758","0.0011","17.966","0.004","23.513","0.004","90","","90","","90","","2482.1","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O4 Pd -","- C28 H32 N2 O4 Pd -","- C112 H128 N8 O16 Pd4 -","4","1","","Ren, Zhi; Dong, Guangbin","Direct Observation of C‒H Cyclopalladation at Tertiary Positions Enabled by an Exo-Directing Group","Organometallics","2016","35","8","1057","","10.1021/acs.organomet.6b00185","","","0.71073","MoKα","","0.0374","0.0343","","","0.065","0.066","","","","","","1.163","","","","has coordinates,has disorder","182518","2020-10-21","18:00:00",""
"4086466","8.7355","0.0004","15.6039","0.0006","16.2732","0.0007","90","","90","","90","","2218.17","0.16","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","W-complex","W-complex","","- C21 H38 N2 O S W -","- C21 H38 N2 O S W -","- C84 H152 N8 O4 S4 W4 -","4","1","","Farrell, Wesley S.; Yonke, Brendan L.; Reeds, Jonathan P.; Zavalij, Peter Y.; Sita, Lawrence R.","Small-Molecule Activation within the Group 6 Complexes (η5-C5Me5)[N(iPr)C(Me)N(iPr)]M(CO)(L) for M = Mo, W and L = N2, NCMe, η2-Alkene, SMe2, C3H6O","Organometallics","2016","35","8","1132","","10.1021/acs.organomet.6b00131","","","0.71073","MoKα","","0.0178","0.0156","","","0.0315","0.0322","","","","","","1","","","","has coordinates","182521","2020-10-21","18:00:00",""
"4086473","8.176","0.004","20.602","0.011","21.311","0.012","90","","90","","90","","3590","3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Si -","- C22 H22 Si -","- C176 H176 Si8 -","8","2","","Komuro, Takashi; Kitano, Takeo; Yamahira, Nobukazu; Ohta, Keisuke; Okawara, Satoshi; Mager, Nathalie; Okazaki, Masaaki; Tobita, Hiromi","Directedortho-C‒H Silylation Coupled withtrans-Selective Hydrogenation of Arylalkynes Catalyzed by Ruthenium Complexes of a Xanthene-BasedSi,O,Si-Chelate Ligand, “Xantsil”","Organometallics","2016","35","9","1209","","10.1021/acs.organomet.5b01013","","","0.71069","MoKα","","0.1148","0.0523","","","0.0978","0.118","","","","","","0.809","","","","has coordinates","183607","2020-10-21","18:00:00",""
"4086479","7.5258","0.0007","10.2827","0.0009","21.647","0.003","90","","90","","90","","1675.2","0.3","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Fe N3 O5 -","- C18 H17 Fe N3 O5 -","- C72 H68 Fe4 N12 O20 -","4","1","","Korb, Marcus; Swarts, Pieter J.; Miesel, Dominique; Hildebrandt, Alexander; Swarts, Jannie C.; Lang, Heinrich","Nucleophilic Aromatic Substitution Reactions for the Synthesis of Ferrocenyl Aryl Ethers","Organometallics","2016","35","9","1287","","10.1021/acs.organomet.6b00157","","","0.71073","MoKα","","0.1113","0.0877","","","0.1995","0.213","","","","","","1.028","","","","has coordinates","183605","2020-10-21","18:00:00",""
"4086515","15.4398","0.0017","16.1455","0.0017","27.715","0.003","90","","90","","90","","6908.9","1.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 Se2 Th -","- C38 H46 Se2 Th -","- C304 H368 Se16 Th8 -","8","2","","Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules","Organometallics","2016","","","","","10.1021/acs.organomet.6b00357","","","0.71073","MoKα","","0.0581","0.0372","","","0.0682","0.0745","","","","","","1.002","","","","has coordinates","183320","2020-10-21","18:00:00",""
"4086524","17.2202","0.0005","20.1926","0.0007","24.1345","0.0009","90","","90","","90","","8392.1","0.5","147","2","147","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 Ag Cl4 I N6 -","- C38 H42 Ag Cl4 I N6 -","- C304 H336 Ag8 Cl32 I8 N48 -","8","2","","Wan, Kai Y.; Lough, Alan J.; Morris, Robert H.","Transition Metal Complexes of an (S,S)-1,2-Diphenylethylamine-Functionalized N-Heterocyclic Carbene: A New Member of the Asymmetric NHC Ligand Family","Organometallics","2016","35","11","1604","","10.1021/acs.organomet.6b00031","","","1.54178","CuKα","","0.081","0.0714","","","0.1812","0.189","","","","","","1.087","","","","has coordinates","183431","2020-10-21","18:00:00",""
"4086525","12.1182","0.0003","12.9197","0.0004","15.7571","0.0005","90","","90","","90","","2466.99","0.13","147","2","147","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Ag F6 N3 O P -","- C22 H29 Ag F6 N3 O P -","- C88 H116 Ag4 F24 N12 O4 P4 -","4","1","","Wan, Kai Y.; Lough, Alan J.; Morris, Robert H.","Transition Metal Complexes of an (S,S)-1,2-Diphenylethylamine-Functionalized N-Heterocyclic Carbene: A New Member of the Asymmetric NHC Ligand Family","Organometallics","2016","35","11","1604","","10.1021/acs.organomet.6b00031","","","0.71073","MoKα","","0.0383","0.0351","","","0.0907","0.0925","","","","","","1.05","","","","has coordinates,has disorder","183432","2020-10-21","18:00:00",""
"4086600","16.6127","0.0001","19.3204","0.0002","45.9155","0.0005","90","","90","","90","","14737.2","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H82 F12 Mo2 N4 O8 -","- C70 H82 F12 Mo2 N4 O8 -","- C560 H656 F96 Mo16 N32 O64 -","8","2","","Robinson, Thomas P.; Johnson, Andrew L.; Raithby, Paul R.; Kociok-Kohn, Gabriele","N-Heterocyclic Carbene Adducts of Molybdenum Tetracarboxylate Complexes","Organometallics","2016","35","15","2494","","10.1021/acs.organomet.6b00386","","","0.71073","MoKα","","0.1138","0.0706","","","0.1079","0.1177","","","","","","1.089","","","","has coordinates","186257","2020-10-21","18:00:00",""
"4086672","9.1162","0.0002","13.3585","0.0003","15.0708","0.0004","90","","90","","90","","1835.3","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CMP-1035-A","","","- C19 H27 Ir O2 S -","- C19 H27 Ir O2 S -","- C76 H108 Ir4 O8 S4 -","4","1","","Frasco, Daniel A.; Mukherjee, Sriparna; Sommer, Roger D.; Perry, Cody M.; Lambic, Nikola S.; Abboud, Khalil A.; Jakubikova, Elena; Ison, Elon A.","Nondirected C‒H Activation of Arenes with Cp*Ir(III) Acetate Complexes: An Experimental and Computational Study","Organometallics","2016","35","15","2435","","10.1021/acs.organomet.6b00308","","","0.71073","MoKα","","0.0278","0.0238","","","0.0481","0.0494","","","","","","1.032","","","","has coordinates","186232","2020-10-21","18:00:00",""
"4086714","10.7399","0.0019","11.323","0.002","19.424","0.004","90","","90","","90","","2362.1","0.8","100","0.5","100","0.5","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","jonlm21","(iPr-PONOP)W(CO)3","","- C20 H31 N O5 P2 W -","- C20 H31 N O5 P2 W -","- C80 H124 N4 O20 P8 W4 -","4","1","","Castro-Rodrigo, Ruth; Chakraborty, Sumit; Munjanja, Lloyd; Brennessel, William W.; Jones, William D.","Synthesis, Characterization, and Reactivities of Molybdenum and Tungsten PONOP Pincer Complexes","Organometallics","2016","35","18","3124","","10.1021/acs.organomet.6b00461","","","0.71073","MoKα","","0.0187","0.0172","","","0.036","0.0363","","","","","","1.079","","","","has coordinates","186938","2020-10-21","18:00:00",""
"4086719","11.1594","0.0003","18.4601","0.0005","32.6848","0.001","90","","90","","90","","6733.2","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 N6 O5 S5 Sn4 -","- C42 H60 N6 O5 S5 Sn4 -","- C168 H240 N24 O20 S20 Sn16 -","4","1","","Rinn, Niklas; Berndt, Jan-Philipp; Kreher, Annikka; Hrdina, Radim; Reinmuth, Matthias; Schreiner, Peter R.; Dehnen, Stefanie","Peptide-Functionalized Organotin Sulfide Clusters","Organometallics","2016","35","18","3215","","10.1021/acs.organomet.6b00561","","","0.71073","MoKα","","0.1004","0.0611","","","0.1316","0.1483","","","","","","0.901","","","","has coordinates","186940","2020-10-21","18:00:00",""
"4086770","8.6366","0.0004","13.4788","0.0007","21.6573","0.001","90","","90","","90","","2521.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 Co N5 O2 -","- C23 H40 Co N5 O2 -","- C92 H160 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Härterich, Heidi Schneider Marcel; Radius, Udo","Correction to Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","","","","","10.1021/acs.organomet.6b00833","","","0.71073","MoKα","","0.0265","0.0245","","","0.0633","0.0643","","","","","","1.05","","","","has coordinates","188327","2020-10-21","18:00:00",""
"4086791","11.0197","0.0011","15.6825","0.0015","19.873","0.002","90","","90","","90","","3434.4","0.6","230","","230","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 Cl F6 P Rh -","- C40 H31 Cl F6 P Rh -","- C160 H124 Cl4 F24 P4 Rh4 -","4","1","","Iwai, Tomohiro; Tanaka, Ryotaro; Sawamura, Masaya","Synthesis, Coordination Properties, and Catalytic Application of Triarylmethane-Monophosphines","Organometallics","2016","35","23","3959","","10.1021/acs.organomet.6b00752","","","0.71075","MoKα","","0.0266","0.0251","","","0.056","0.0571","","","","","","1.056","","","","has coordinates","189948","2020-10-21","18:00:00",""
"4086801","8.2833","0.0001","12.1905","0.0002","14.026","0.0002","90","","90","","90","","1416.31","0.04","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 P S -","- C14 H21 P S -","- C56 H84 P4 S4 -","4","1","","Fischer, Reinald; Görls, Helmar; Westerhausen, Matthias","Reactivity Studies of [(thf)2Mg{μ-C(CH3)2C2H4C(CH3)2}]2: Scrambling Reactions and Diverse Reactions with Dichlorophenylphosphane","Organometallics","2016","35","22","3861","","10.1021/acs.organomet.6b00743","","","0.71073","MoKα","","0.0332","0.0312","","","0.0718","0.073","","","","","","1.097","","","","has coordinates,has disorder","188901","2020-10-21","18:00:00",""
"4086840","8.8311","0.0003","13.243","0.0004","13.8378","0.0004","90","","90","","90","","1618.33","0.09","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O W -","- C16 H27 N O W -","- C64 H108 N4 O4 W4 -","4","1","","Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Functionalization of Methane Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCMe2)","Organometallics","2016","","","","","10.1021/acs.organomet.6b00738","","x-ray","0.71073","MoKα","","0.0505","0.0476","","","0.1275","0.1312","","","","","","1.081","","","","has coordinates","189670","2020-10-21","18:00:00",""
"4086874","10.464","0.002","15.892","0.004","18.545","0.004","90","","90","","90","","3083.9","1.2","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","n4-norbornadiene-k2-N,H-[diethyl-N-(2,6-dimethylphenyl)-O-(1,1-dicyclohexylborane)phosphoramidato]rhodium(I)","","- C31 H50 B N O3 P Rh -","- C31 H50 B N O3 P Rh -","- C124 H200 B4 N4 O12 P4 Rh4 -","4","1","","Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.","Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand","Organometallics","2016","","","","","10.1021/acs.organomet.6b00784","","","0.71073","MoKα","","0.0794","0.0514","","","0.0866","0.0958","","","","","","0.991","","","","has coordinates","189677","2020-10-21","18:00:00",""
"4086935","9.3331","0.0002","16.9164","0.0003","22.2563","0.0003","90","","90","","90","","3513.88","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H51 N3 S U -","- C38 H51 N3 S U -","- C152 H204 N12 S4 U4 -","4","1","","Kiernicki, John J.; Staun, Selena L.; Zeller, Matthias; Bart, Suzanne C.","A Uranium(IV) Triamide Species with Brønsted Basic Ligand Character: Metal‒Ligand Cooperativity in the f Block","Organometallics","2017","36","3","665","","10.1021/acs.organomet.6b00861","","","1.54178","CuKα","","0.0258","0.0258","","","0.0639","0.064","","","","","","1.043","","","","has coordinates","193621","2020-10-21","18:00:00",""
"4087022","11.0781","0.0001","17.6947","0.0002","25.0413","0.0003","90","","90","","90","","4908.69","0.09","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H72 B Cl2 F4 Ir N2 -","- C56 H72 B Cl2 F4 Ir N2 -","- C224 H288 B4 Cl8 F16 Ir4 N8 -","4","1","","Sipos, Gellért; Gao, Pengchao; Foster, Daven; Skelton, Brian W.; Sobolev, Alexandre N.; Dorta, Reto","In-Depth Study on Chloride Abstractions from (NHC)Ir(COD)Cl Complexes","Organometallics","2017","36","4","801","","10.1021/acs.organomet.6b00864","","x-ray","0.71073","MoKα","","0.0393","0.0341","","","0.0642","0.0667","","","","","","1.034","","","","has coordinates","193612","2020-10-21","18:00:00",""
"4087035","9.2693","0.0007","15.9085","0.0012","18.2694","0.0014","90","","90","","90","","2694","0.4","123","","123","","","","","","","","Viktor Hoffmann","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H24 Fe2 -","- C40 H24 Fe2 -","- C160 H96 Fe8 -","4","1","","Hoffmann, Viktor; le Pleux, Loïc; Häussinger, Daniel; Unke, Oliver T.; Prescimone, Alessandro; Mayor, Marcel","Deltoid versus Rhomboid: Controlling the Shape of Bis-ferrocene Macrocycles by the Bulkiness of the Substituents","Organometallics","2017","36","4","858","","10.1021/acs.organomet.6b00909","","","1.54178","CuKα","","0.0392","0.0328","","0.0812","0.0747","0.0812","","","","","","0.8648","","","","has coordinates","193608","2020-10-21","18:00:00",""
"4087044","16.63401","0.00006","17.02047","0.00006","18.94559","0.00007","90","","90","","90","","5363.85","0.03","150","2","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H70 Cl P Ru S -","- C64 H70 Cl P Ru S -","- C256 H280 Cl4 P4 Ru4 S4 -","4","1","","Bähr, Susanne; Oestreich, Martin","Hidden Enantioselective Hydrogenation of N-Silyl Enamines and Silyl Enol Ethers in Net C═N and C═O Hydrosilylations Catalyzed by Ru‒S Complexes with One Monodentate Chiral Phosphine Ligand","Organometallics","2017","36","4","935","","10.1021/acs.organomet.7b00030","","x-ray","1.54184","CuKα","","0.0187","0.0183","","","0.0482","0.0485","","","","","","1.036","","","","has coordinates,has disorder","193611","2020-10-21","18:00:00",""
"4087061","8.6697","0.0001","9.9822","0.0001","27.1306","0.0004","90","","90","","90","","2347.95","0.05","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H18 F6 N2 O -","- C31 H18 F6 N2 O -","- C124 H72 F24 N8 O4 -","4","1","","He, Congfa; Wang, Bin; Gao, Mingli; Gu, Zhenhua","Synthesis of Chiral Cleft C,N-Palladium and Iridium Complexes from 2,3:6,7-Dibenzobicyclo[3.3.1]nona-2,6-diene-4,8-dione and Their Synthetic Applications","Organometallics","2017","","","","","10.1021/acs.organomet.7b00024","","","1.54184","CuKα","","0.0663","0.0646","","","0.1801","0.1824","","","","","","1.061","","","","has coordinates,has disorder","192256","2020-10-21","18:00:00",""
"4087083","9.3127","0.0003","17.8101","0.0007","18.574","0.0006","90","","90","","90","","3080.69","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Co2 N2 O4 P2 -","- C30 H34 Co2 N2 O4 P2 -","- C120 H136 Co8 N8 O16 P8 -","4","1","","Garçon, Martí; Cabré, Albert; Verdaguer, Xavier; Riera, Antoni","Synthesis, Coordination Study, and Catalytic Pauson‒Khand Reactions of QuinoxP*(CO)4-μ-Alkyne Dicobalt Complexes","Organometallics","2017","","","","","10.1021/acs.organomet.7b00018","","","0.71073","MoKα","","0.045","0.035","","","0.0652","0.0688","","","","","","1.021","","","","has coordinates","192808","2020-10-21","18:00:00",""
"4087092","8.6572","0.0002","18.3541","0.0004","23.1244","0.0005","90","","90","","90","","3674.35","0.14","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H45 N Ti -","- C47 H45 N Ti -","- C188 H180 N4 Ti4 -","4","1","","Manßen, Manfred; Lauterbach, Nicolai; Woriescheck, Tim; Schmidtmann, Marc; Beckhaus, Rüdiger","Reactions of Secondary Amines with Bis(η5:η1-pentafulvene)titanium Complexes: Formation of Titanium Amides and Titanaaziridines","Organometallics","2017","36","4","867","","10.1021/acs.organomet.6b00915","","","0.71073","MoKα","","0.1057","0.0465","","","0.081","0.098","","","","","","1.001","","","","has coordinates","193330","2020-10-21","18:00:00",""
"4087140","8.6121","0.0007","12.2899","0.001","19.1871","0.0015","90","","90","","90","","2030.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl N P -","- C24 H23 Cl N P -","- C96 H92 Cl4 N4 P4 -","4","1","","Herrera, Alberto; Grasruck, Alexander; Heinemann, Frank W.; Scheurer, Andreas; Chelouan, Ahmed; Frieß, Sibylle; Seidel, Falk; Dorta, Romano","Developing P-Stereogenic, Planar‒Chiral P-Alkene Ligands: Monodentate, Bidentate, and Double Agostic Coordination Modes on Ru(II)","Organometallics","2017","36","3","714","","10.1021/acs.organomet.6b00879","","","0.71073","MoKα","","0.0357","0.0312","","","0.0719","0.0742","","","","","","1.051","","","","has coordinates","193343","2020-10-21","18:00:00",""
"4087184","11.4848","0.0004","14.0729","0.0005","23.3388","0.0009","90","","90","","90","","3772.1","0.2","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H44 Br2 Cl2 N2 Ni -","- C39 H44 Br2 Cl2 N2 Ni -","- C156 H176 Br8 Cl8 N8 Ni4 -","4","1","","Zhu, Liang; Zang, Dandan; Wang, Yi; Guo, Yintian; Jiang, Baiyu; He, Feng; Fu, Zhisheng; Fan, Zhiqiang; Hickner, Michael A.; Liu, Zi-Kui; Chen, Long-Qing","Insight into the Mechanism of Thermal Stability of α-Diimine Nickel Complex in Catalyzing Ethylene Polymerization","Organometallics","2017","36","6","1196","","10.1021/acs.organomet.7b00066","","","0.71073","MoKα","","0.0412","0.033","","","0.0702","0.0739","","","","","","1.035","","","","has coordinates","194871","2020-10-21","18:00:00",""
"4087206","9.2187","0.0012","11.8772","0.0013","18.454","0.002","90","","90","","90","","2020.6","0.4","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl3 O P Te -","- C18 H22 Cl3 O P Te -","- C72 H88 Cl12 O4 P4 Te4 -","4","1","","Hupf, Emanuel; Do, Truong Giang; Nordheider, Andreas; Wehrhahn, Maren; Sanz Camacho, Paula; Ashbrook, Sharon E.; Lork, Enno; Slawin, Alexandra M. Z.; Mebs, Stefan; Woollins, J. Derek; Beckmann, Jens","Selective Oxidation and Functionalization of 6-Diphenylphosphinoacenaphthyl-5-tellurenyl Species 6-Ph2P-Ace-5-TeX (X = Mes, Cl, O3SCF3). Various Types of P‒E···Te(II,IV) Bonding Situations (E = O, S, Se)","Organometallics","2017","","","","","10.1021/acs.organomet.7b00133","","","0.71075","MoKα","","0.0491","0.044","","","0.1156","0.1236","","","","","","1.128","","","","has coordinates","195265","2020-10-21","18:00:00",""
"4087232","9.4611","0.0006","15.0151","0.001","19.4449","0.0013","90","","90","","90","","2762.3","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 Cl Ir N O2 P -","- C29 H38 Cl Ir N O2 P -","- C116 H152 Cl4 Ir4 N4 O8 P4 -","4","1","","Esteruelas, Miguel A.; Oñate, Enrique; Palacios, Adrián U.","Selective Synthesis and Photophysical Properties of Phosphorescent Heteroleptic Iridium(III) Complexes with Two Different Bidentate Groups and Two Different Monodentate Ligands","Organometallics","2017","","","","","10.1021/acs.organomet.7b00108","","","0.71073","MoKα","","0.0245","0.0227","","","0.0489","0.0498","","","","","","1.043","","","","has coordinates","195521","2020-10-21","18:00:00",""
"4087244","14.46073","0.00018","15.68762","0.00018","18.9289","0.0002","90","","90","","90","","4294.1","0.09","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H53 N2 Ni O P -","- C53 H53 N2 Ni O P -","- C212 H212 N8 Ni4 O4 P4 -","4","1","","Sabater, Sara; Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Stoichiometric and Catalytic Reactivity of Ni(6-Mes)(PPh3)2","Organometallics","2017","","","","","10.1021/acs.organomet.7b00129","","x-ray","1.54184","CuKα","","0.0323","0.0295","","","0.0722","0.0736","","","","","","1.039","","","","has coordinates","195598","2020-10-21","18:00:00",""
"4087246","11.42881","0.00006","16.9674","0.00009","20.23065","0.0001","90","","90","","90","","3923.07","0.04","150","0.1","150.1","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H43 F6 N2 Ni P -","- C46 H43 F6 N2 Ni P -","- C184 H172 F24 N8 Ni4 P4 -","4","1","","Sabater, Sara; Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Stoichiometric and Catalytic Reactivity of Ni(6-Mes)(PPh3)2","Organometallics","2017","","","","","10.1021/acs.organomet.7b00129","","","1.54184","CuKα","","0.0218","0.0216","","","0.0574","0.0576","","","","","","1.063","","","","has coordinates,has disorder","195598","2020-10-21","18:00:00",""
"4087266","15.6271","0.0006","16.393","0.0006","18.2668","0.0006","90","","90","","90","","4679.5","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 Li N O3 -","- C26 H34 Li N O3 -","- C208 H272 Li8 N8 O24 -","8","2","","Freitag, Benjamin; Elsen, Holger; Pahl, Jürgen; Ballmann, Gerd; Herrera, Alberto; Dorta, Romano; Harder, Sjoerd","s-Block Metal Dibenzoazepinate Complexes: Evidence for Mg‒Alkene Encapsulation","Organometallics","2017","36","9","1860","","10.1021/acs.organomet.7b00200","","x-ray","1.54184","CuKα","","0.0472","0.0436","","","0.1107","0.1142","","","","","","1.026","","","","has coordinates,has disorder","197474","2020-10-21","18:00:00",""
"4087269","12.2352","0.0004","13.1124","0.0003","22.2118","0.0004","90","","90","","90","","3563.5","0.16","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 F6 N2 O8 P Re S2 Si -","- C24 H44 F6 N2 O8 P Re S2 Si -","- C96 H176 F24 N8 O32 P4 Re4 S8 Si4 -","4","1","","Mazzotta, Michael G.; Xiong, Manxi; Abu-Omar, Mahdi M.","Carbon Dioxide Reduction to Silyl-Protected Methanol Catalyzed by an Oxorhenium Pincer PNN Complex","Organometallics","2017","","","","","10.1021/acs.organomet.7b00223","","","1.54178","CuKα","","0.0495","0.0493","","","0.1301","0.1304","","","","","","1.047","","","","has coordinates","195853","2020-10-21","18:00:00",""
"4087320","8.959","0.0006","16.4741","0.0012","18.8994","0.0013","90","","90","","90","","2789.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H43 N Ni O3 -","- C30 H43 N Ni O3 -","- C120 H172 N4 Ni4 O12 -","4","1","","Paul, Ursula S. D.; Radius, Udo","Synthesis and Reactivity of Cyclic (Alkyl)(Amino)Carbene Stabilized Nickel Carbonyl Complexes","Organometallics","2017","36","7","1398","","10.1021/acs.organomet.7b00109","","","0.71073","MoKα","","0.0583","0.051","","","0.1264","0.1315","","","","","","1.02","","","","has coordinates","196053","2020-10-21","18:00:00",""
"4087333","10.9531","0.0002","15.0793","0.0004","20.4439","0.0004","90","","90","","90","","3376.62","0.13","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 O P Sm -","- C36 H48 O P Sm -","- C144 H192 O4 P4 Sm4 -","4","1","","Pushkarevsky, Nikolay A.; Ilyin, Igor Yu.; Petrov, Pavel A.; Samsonenko, Denis G.; Ryzhikov, Maxim R.; Roesky, Peter W.; Konchenko, Sergey N.","Different Reductive Reactivities of SmCpx2(THF)n (Cpx = C5Me5 and C5H3tBu2) Samarocenes toward P2Ph4: THF Ring-Opening and Ligand-Exchange Pathways","Organometallics","2017","36","7","1287","","10.1021/acs.organomet.7b00014","","x-ray","0.71073","MoKα","","0.028","0.0255","","","0.0622","0.0632","","","","","","1.05","","","","has coordinates","196060","2020-10-21","18:00:00",""
"4087363","10.3559","0.0013","18.157","0.003","30.97","0.005","90","","90","","90","","5823.4","1.5","301","2","301","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C121 H118 Cl10 P4 Ru4 Si4 -","- C121 H118 Cl10 P4 Ru4 Si4 -","- C242 H236 Cl20 P8 Ru8 Si8 -","2","0.5","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.0969","0.0616","","","0.1435","0.1537","","","","","","1.009","","","","has coordinates","236756","2020-10-21","18:00:00",""
"4087366","10.8413","0.0004","13.9779","0.0004","19.6142","0.0008","90","","90","","90","","2972.31","0.18","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Cl2 O3 P Ru -","- C33 H29 Cl2 O3 P Ru -","- C132 H116 Cl8 O12 P4 Ru4 -","4","1","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.0941","0.0543","","","0.1211","0.1371","","","","","","1.046","","","","has coordinates","236756","2020-10-21","18:00:00",""
"4087368","11.7604","0.0009","13.4167","0.001","14.2493","0.0009","90","","90","","90","","2248.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl2 P Ru -","- C27 H25 Cl2 P Ru -","- C108 H100 Cl8 P4 Ru4 -","4","1","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.021","0.0194","","","0.0488","0.0495","","","","","","1.13","","","","has coordinates","236756","2020-10-21","18:00:00",""
"4087369","7.3413","0.0003","16.4175","0.0006","22.5377","0.0008","90","","90","","90","","2716.37","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Cl2 O3 P Ru -","- C31 H27 Cl2 O3 P Ru -","- C124 H108 Cl8 O12 P4 Ru4 -","4","1","","Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo","Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines","Organometallics","2015","34","5","973","","10.1021/acs.organomet.5b00018","","","0.71073","MoKα","","0.0303","0.0283","","","0.0654","0.0682","","","","","","1.118","","","","has coordinates","236756","2020-10-21","18:00:00",""
"4087383","11.044","0.003","11.477","0.003","15.387","0.004","90","","90","","90","","1950.3","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Co N2 P -","- C21 H28 Co N2 P -","- C84 H112 Co4 N8 P4 -","4","1","","Schaefer, Brian A.; Margulieux, Grant W.; Small, Brooke L.; Chirik, Paul J.","Evaluation of Cobalt Complexes Bearing Tridentate Pincer Ligands for Catalytic C‒H Borylation","Organometallics","2015","34","7","1307","","10.1021/acs.organomet.5b00044","","","0.71073","MoKα","","0.0293","0.0276","","","0.0708","0.0716","","","","","","1.056","","","","has coordinates","236763","2020-10-21","18:00:00",""
"4087385","7.5748","0.0005","19.29","0.0012","21.3706","0.0013","90","","90","","90","","3122.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 Fe O2 P3 -","- C36 H33 Fe O2 P3 -","- C144 H132 Fe4 O8 P12 -","4","1","","Schaefer, Brian A.; Margulieux, Grant W.; Small, Brooke L.; Chirik, Paul J.","Evaluation of Cobalt Complexes Bearing Tridentate Pincer Ligands for Catalytic C‒H Borylation","Organometallics","2015","34","7","1307","","10.1021/acs.organomet.5b00044","","","0.71073","MoKα","","0.0255","0.0235","","","0.0561","0.0569","","","","","","1.042","","","","has coordinates","236763","2020-10-21","18:00:00",""
"4087386","14.5055","0.0004","33.6528","0.0009","10.8926","0.0003","90","","90","","90","","5317.2","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H105 B2 Co2 N2 P4 -","- C44 H105 B2 Co2 N2 P4 -","- C176 H420 B8 Co8 N8 P16 -","4","1","","Schaefer, Brian A.; Margulieux, Grant W.; Small, Brooke L.; Chirik, Paul J.","Evaluation of Cobalt Complexes Bearing Tridentate Pincer Ligands for Catalytic C‒H Borylation","Organometallics","2015","34","7","1307","","10.1021/acs.organomet.5b00044","","","1.54178","CuKα","","0.1162","0.1031","","","0.2017","0.2116","","","","","","1.155","","","","has coordinates","236763","2020-10-21","18:00:00",""
"4087397","8.854","0.001","14.84","0.002","18.005","0.002","90","","90","","90","","2365.7","0.5","200","","200","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 F3 N2 O2 P S -","- C21 H30 F3 N2 O2 P S -","- C84 H120 F12 N8 O8 P4 S4 -","4","1","","Boulens, Pierre; Pellier, Emmanuel; Jeanneau, Erwann; Reek, Joost N. H.; Olivier-Bourbigou, Hélène; Breuil, Pierre-Alain R.","Self-Assembled Organometallic Nickel Complexes as Catalysts for Selective Dimerization of Ethylene into 1-Butene","Organometallics","2015","34","7","1139","","10.1021/acs.organomet.5b00055","","x-ray","0.71073","MoKα","","0.0601","0.0434","","0.0803","0.0652","0.0803","","","","","","0.9875","","","","has coordinates","236771","2020-10-21","18:00:00",""
"4087405","10.80578","0.00017","16.9075","0.0003","17.92","0.0002","90","","90","","90","","3273.96","0.09","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H49 Ga N2 O3 -","- C32 H49 Ga N2 O3 -","- C128 H196 Ga4 N8 O12 -","4","1","","Horeglad, Paweł; Cybularczyk, Martyna; Trzaskowski, Bartosz; Żukowska, Grażyna Zofia; Dranka, Maciej; Zachara, Janusz","Dialkylgallium Alkoxides Stabilized with N-Heterocyclic Carbenes: Opportunities and Limitations for the Controlled and Stereoselective Polymerization of rac-Lactide","Organometallics","2015","34","14","3480","","10.1021/acs.organomet.5b00071","","x-ray","0.71073","MoKα","","0.0334","0.0292","","","0.0646","0.0665","","","","","","1.027","","","","has coordinates","236780","2020-10-21","18:00:00",""
"4087418","10.3353","0.0013","12.4505","0.0015","18.766","0.002","90","","90","","90","","2414.8","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 Fe N2 O4 Si -","- C23 H32 Fe N2 O4 Si -","- C92 H128 Fe4 N8 O16 Si4 -","4","1","","Ito, Jun-ichi; Hosokawa, Satomi; Khalid, Hairuzana Binti; Nishiyama, Hisao","Preparation, Characterization, and Catalytic Reactions of NCN Pincer Iron Complexes Containing Stannyl, Silyl, Methyl, and Phenyl Ligands","Organometallics","2015","34","7","1377","","10.1021/acs.organomet.5b00082","","","0.71073","MoKα","","0.0257","0.0248","","","0.0624","0.0628","","","","","","1.043","","","","has coordinates","236789","2020-10-21","18:00:00",""
"4087442","9.4806","0.0005","14.6862","0.0008","34.3657","0.0015","90","","90","","90","","4784.9","0.4","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H55 Cl O2 P2 Pd -","- C55 H55 Cl O2 P2 Pd -","- C220 H220 Cl4 O8 P8 Pd4 -","4","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.1211","0.0759","","","0.1699","0.1911","","","","","","1.009","","","","has coordinates,has disorder","236797","2020-10-21","18:00:00",""
"4087443","10.4056","0.0004","10.847","0.0005","35.2683","0.0014","90","","90","","90","","3980.7","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H39 Cl Ni O8 P2 -","- C42 H39 Cl Ni O8 P2 -","- C168 H156 Cl4 Ni4 O32 P8 -","4","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0595","0.0408","","","0.0744","0.0819","","","","","","1.016","","","","has coordinates","236798","2020-10-21","18:00:00",""
"4087444","10.4536","0.0004","17.2754","0.0006","24.473","0.0009","90","","90","","90","","4419.6","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H41 Cl3 O8 P2 Pd -","- C43 H41 Cl3 O8 P2 Pd -","- C172 H164 Cl12 O32 P8 Pd4 -","4","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0605","0.0415","","","0.0776","0.088","","","","","","1.013","","","","has coordinates,has disorder","236799","2020-10-21","18:00:00",""
"4087446","10.4318","0.001","17.092","0.002","24.423","0.003","90","","90","","90","","4354.6","0.8","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H41 Cl3 O8 P2 Pt -","- C43 H41 Cl3 O8 P2 Pt -","- C172 H164 Cl12 O32 P8 Pt4 -","4","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Versatile Syntheses of Optically Pure PCE Pincer Ligands: Facile Modifications of the Pendant Arms and Ligand Backbones","Organometallics","2015","34","8","1582","","10.1021/acs.organomet.5b00132","","","0.71073","MoKα","","0.0614","0.0437","","","0.0735","0.0792","","","","","","0.974","","","","has coordinates,has disorder","236801","2020-10-21","18:00:00",""
"4087451","4.5169","0.0003","13.2863","0.001","15.8699","0.0012","90","","90","","90","","952.4","0.12","99","2","99","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 F3 N2 Se -","- C9 H7 F3 N2 Se -","- C36 H28 F12 N8 Se4 -","4","1","","Engl, Pascal S.; Senn, Remo; Otth, Elisabeth; Togni, Antonio","Synthesis and Characterization of N-Trifluoromethyl N-Heterocyclic Carbene Ligands and Their Complexes","Organometallics","2015","34","7","1384","","10.1021/acs.organomet.5b00137","","","0.71073","MoKα","","0.0417","0.0334","","","0.0722","0.0757","","","","","","1.058","","","","has coordinates","236806","2020-10-21","18:00:00",""
"4087479","7.9185","0.0003","13.1681","0.0004","15.0138","0.0005","90","","90","","90","","1565.51","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(1,4-η^6^-Diiodobenzene)(η^5^-cyclopentadienyl)ruthenium(II) hexafluoridophosphate","","- C11 H9 F6 I2 P Ru -","- C11 H9 F6 I2 P Ru -","- C44 H36 F24 I8 P4 Ru4 -","4","1","","Ziemann, Elisabeth A.; Baljak, Sladjana; Steffens, Stefan; Stein, Timo; Van Steerteghem, Nick; Asselberghs, Inge; Clays, Koen; Heck, Jürgen","Stille Cross-Coupling Reaction with Cationic [(η5-Cp)(η6-C6H6‒xIx)Ru]+ Complexes as Key for Ethynyl-Bridged Homo- and Heteronuclear Sandwich Compounds","Organometallics","2015","34","9","1692","","10.1021/acs.organomet.5b00160","","","0.71073","MoKα","","0.0231","0.0228","","","0.0571","0.0572","","","","","","1.138","","","","has coordinates","236816","2020-10-21","18:00:00",""
"4087495","11.6331","0.001","14.198","0.0013","24.098","0.002","90","","90","","90","","3980.2","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H57 N O6 Ru S -","- C38 H57 N O6 Ru S -","- C152 H228 N4 O24 Ru4 S4 -","4","1","","Herbert, Myles B.; Suslick, Benjamin A.; Liu, Peng; Zou, Lufeng; Dornan, Peter K.; Houk, K. N.; Grubbs, Robert H.","Cyclometalated Z-Selective Ruthenium Metathesis Catalysts with Modified N-Chelating Groups","Organometallics","2015","34","12","2858","","10.1021/acs.organomet.5b00185","","","0.71073","MoKα","","0.0727","0.0493","","","0.07","0.073","","","","","","1.374","","","","has coordinates,has disorder","236821","2020-10-21","18:00:00",""
"4087523","11.7724","0.0006","16.1092","0.0009","17.018","0.0009","90","","90","","90","","3227.4","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 B N3 O3 Tl -","- C30 H47 B N3 O3 Tl -","- C120 H188 B4 N12 O12 Tl4 -","4","1","","Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.","Organometallic Complexes of Bulky, Optically Active, C3-Symmetric Tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)","Organometallics","2015","34","14","3508","","10.1021/acs.organomet.5b00225","","","0.71073","MoKα","","0.0232","0.0206","","","0.0478","0.0488","","","","","","0.974","","","","has coordinates","236838","2020-10-21","18:00:00",""
"4087524","10.6557","0.0005","14.809","0.0007","21.3069","0.001","90","","90","","90","","3362.2","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 B Mn N3 O6 -","- C33 H47 B Mn N3 O6 -","- C132 H188 B4 Mn4 N12 O24 -","4","1","","Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.","Organometallic Complexes of Bulky, Optically Active, C3-Symmetric Tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)","Organometallics","2015","34","14","3508","","10.1021/acs.organomet.5b00225","","","0.71073","MoKα","","0.0301","0.0271","","","0.069","0.0718","","","","","","0.658","","","","has coordinates","236838","2020-10-21","18:00:00",""
"4087525","10.712","0.002","14.893","0.003","21.55","0.005","90","","90","","90","","3438","1.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 B N3 O6 Re -","- C33 H47 B N3 O6 Re -","- C132 H188 B4 N12 O24 Re4 -","4","1","","Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.","Organometallic Complexes of Bulky, Optically Active, C3-Symmetric Tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)","Organometallics","2015","34","14","3508","","10.1021/acs.organomet.5b00225","","","0.71073","MoKα","","0.0658","0.0493","","","0.1152","0.1243","","","","","","1.058","","","","has coordinates","236838","2020-10-21","18:00:00",""
"4087526","12.3871","0.0016","15.826","0.002","16.676","0.002","90","","90","","90","","3269.1","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 B Cl N3 O3 Zn -","- C30 H47 B Cl N3 O3 Zn -","- C120 H188 B4 Cl4 N12 O12 Zn4 -","4","1","","Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.","Organometallic Complexes of Bulky, Optically Active, C3-Symmetric Tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)","Organometallics","2015","34","14","3508","","10.1021/acs.organomet.5b00225","","","0.71073","MoKα","","0.0233","0.021","","","0.0539","0.0546","","","","","","1.017","","","","has coordinates","236838","2020-10-21","18:00:00",""
"4087527","12.818","0.003","12.818","","20.039","0.004","90","","90","","90","","3292.4","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 B N3 O3 Zn -","- C30 H48 B N3 O3 Zn -","- C120 H192 B4 N12 O12 Zn4 -","4","1","","Xu, Songchen; Magoon, Yitzhak; Reinig, Regina R.; Schmidt, Bradley M.; Ellern, Arkady; Sadow, Aaron D.","Organometallic Complexes of Bulky, Optically Active, C3-Symmetric Tris(4S-isopropyl-5,5-dimethyl-2-oxazolinyl)phenylborate (ToP*)","Organometallics","2015","34","14","3508","","10.1021/acs.organomet.5b00225","","","0.71073","MoKα","","0.0583","0.0431","","","0.0876","0.0911","","","","","","1.211","","","","has coordinates","236838","2020-10-21","18:00:00",""
"4087553","12.5191","0.0005","15.3796","0.0007","30.011","0.0013","90","","90","","90","","5778.3","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","9","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 Br F3 N Ni O5 P2 S -","- C21 H33 Br F3 N Ni O5 P2 S -","- C168 H264 Br8 F24 N8 Ni8 O40 P16 S8 -","8","2","","Lapointe, Sébastien; Vabre, Boris; Zargarian, Davit","POCOP-Type Pincer Complexes of Nickel: Synthesis, Characterization, and Ligand Exchange Reactivities of New Cationic Acetonitrile Adducts","Organometallics","2015","34","14","3520","","10.1021/acs.organomet.5b00272","","","1.54178","CuKα","","0.0352","0.0351","","","0.0976","0.0978","","","","","","1.064","","","","has coordinates","236849","2020-10-21","18:00:00",""
"4087609","13.9506","0.0006","15.3484","0.0006","20.9664","0.001","90","","90","","90","","4489.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Br12 Cl2 Ga4 O12 -","- C16 H26 Br12 Cl2 Ga4 O12 -","- C64 H104 Br48 Cl8 Ga16 O48 -","4","1","","Novikov, Roman A.; Potapov, Konstantin V.; Chistikov, Daniil N.; Tarasova, Anna V.; Grigoriev, Michail S.; Timofeev, Vladimir P.; Tomilov, Yury V.","Synthesis and Structures of Cyclopropanedicarboxylate Gallium Complexes","Organometallics","2015","34","17","4238","","10.1021/acs.organomet.5b00399","","","0.71073","MoKα","","0.1584","0.0842","","","0.1951","0.2332","","","","","","1.016","","","","has coordinates","236871","2020-10-21","18:00:00",""
"4087612","13.8249","0.001","14.802","0.0011","20.4605","0.0015","90","","90","","90","","4187","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Cl14 Ga4 O12 -","- C15 H24 Cl12 Ga4 O12 -","- C60 H96 Cl48 Ga16 O48 -","4","1","","Novikov, Roman A.; Potapov, Konstantin V.; Chistikov, Daniil N.; Tarasova, Anna V.; Grigoriev, Michail S.; Timofeev, Vladimir P.; Tomilov, Yury V.","Synthesis and Structures of Cyclopropanedicarboxylate Gallium Complexes","Organometallics","2015","34","17","4238","","10.1021/acs.organomet.5b00399","","","0.71073","MoKα","","0.0896","0.0625","","","0.1334","0.1414","","","","","","1.27","","","","has coordinates,has disorder","236876","2020-10-21","18:00:00",""
"4087631","17.4714","0.0007","19.2175","0.0007","19.9534","0.0007","90","","90","","90","","6699.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 B10 Ir N2 P -","- C31 H42 B10 Ir N2 P -","- C248 H336 B80 Ir8 N16 P8 -","8","2","","Kim, Taewon; Lee, Junseong; Lee, Sang Uck; Lee, Min Hyung","o-Carboranyl‒Phosphine as a New Class of Strong-Field Ancillary Ligand in Cyclometalated Iridium(III) Complexes: Toward Blue Phosphorescence","Organometallics","2015","34","14","3455","","10.1021/acs.organomet.5b00438","","","0.71073","MoKα","","0.0455","0.0359","","","0.0677","0.0713","","","","","","1.026","","","","has coordinates","236890","2020-10-21","18:00:00",""
"4087644","13.205","0.0019","18.116","0.003","19.834","0.003","90","","90","","90","","4744.7","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H76 N2 Th -","- C53 H76 N2 Th -","- C212 H304 N8 Th4 -","4","1","","Zhou, Enwei; Ren, Wenshan; Hou, Guohua; Zi, Guofu; Fang, De-Cai; Walter, Marc D.","Small Molecule Activation Mediated by a Thorium Terminal Imido Metallocene","Organometallics","2015","34","14","3637","","10.1021/acs.organomet.5b00454","","","0.71073","MoKα","","0.054","0.0414","","","0.0691","0.0738","","","","","","0.924","","","","has coordinates","236896","2020-10-21","18:00:00",""
"4087742","9.5766","0.0003","17.0542","0.0006","17.4821","0.0006","90","","90","","90","","2855.2","0.17","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H41 N2 Si3 Ta -","- C23 H41 N2 Si3 Ta -","- C92 H164 N8 Si12 Ta4 -","4","1","","Hunter, Seth C.; Chen, Shu-Jian; Steren, Carlos A.; Richmond, Michael G.; Xue, Zi-Ling","Syntheses and Characterization of Tantalum Alkyl Imides and Amide Imides. DFT Studies of Unusual α-SiMe3 Abstraction by an Amide Ligand","Organometallics","2015","34","24","5687","","10.1021/acs.organomet.5b00558","","","0.71073","MoKα","","0.0419","0.0412","","","0.1349","0.1364","","","","","","1.218","","","","has coordinates","236967","2020-10-21","18:00:00",""
"4087759","8.4615","0.0018","13.592","0.003","19.419","0.004","90","","90","","90","","2233.4","0.8","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C15 H31 B F4 N O2 P2 Rh -","- C15 H31 B F4 N O2 P2 Rh -","- C60 H124 B4 F16 N4 O8 P8 Rh4 -","4","1","","Cristóbal-Lecina, Edgar; Costantino, Andrea R.; Grabulosa, Arnald; Riera, Antoni; Verdaguer, Xavier","Rhodium-Catalyzed Pauson‒Khand Reaction Using a Small-Bite-Angle P-Stereogenic C1-Diphosphine Ligand","Organometallics","2015","34","20","4989","","10.1021/acs.organomet.5b00576","","","0.71073","MoKα","","0.0304","0.0281","","","0.0679","0.0693","","","","","","1.064","","","","has coordinates,has disorder","236989","2020-10-21","18:00:00",""
"4087767","7.821","0.004","8.102","0.004","26.932","0.015","90","","90","","90","","1706.6","1.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl N4 O Pd -","- C18 H17 Cl N4 O Pd -","- C72 H68 Cl4 N16 O4 Pd4 -","4","1","","Lee, Jing-Yi; Lee, Jhen-Yi; Chang, Yuan-Yu; Hu, Ching-Han; Wang, Nancy M.; Lee, Hon Man","Palladium Complexes with Tridentate N-Heterocyclic Carbene Ligands: Selective “Normal” and “Abnormal” Bindings and Their Anticancer Activities","Organometallics","2015","34","17","4359","","10.1021/acs.organomet.5b00586","","x-ray","0.71073","MoKα","","0.0768","0.0576","","","0.1361","0.1455","","","","","","1.044","","","","has coordinates","236996","2020-10-21","18:00:00",""
"4087793","9.2178","0.0007","12.4302","0.0009","22.5562","0.0014","90","","90","","90","","2584.5","0.3","115","","115","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 Fe N2 -","- C28 H44 Fe N2 -","- C112 H176 Fe4 N8 -","4","1","","Allouch, Fatima; Dwadnia, Nejib; Vologdin, Nikolay V.; Svyaschenko, Yurii V.; Cattey, Hélène; Penouilh, Marie-José; Roger, Julien; Naoufal, Daoud; Ben Salem, Ridha; Pirio, Nadine; Hierso, Jean-Cyrille","Converging and Diverging Synthetic Strategies to Tetradentate (N,N′)-Diaminomethyl,(P,P′)-Ferrocenyl Ligands: Influence of tert-Butyl Groups on Ferrocene Backbone Conformation","Organometallics","2015","34","20","5015","","10.1021/acs.organomet.5b00601","","x-ray","0.71073","MoKα","","0.0544","0.0408","","","0.0816","0.0871","","","","","","1.044","","","","has coordinates","237006","2020-10-21","18:00:00",""
"4087885","12.7179","0.0011","18.9078","0.0017","19.0535","0.0017","90","","90","","90","","4581.7","0.7","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H59 B2 F4 N7 O3 W -","- C47 H59 B2 F4 N7 O3 W -","- C188 H236 B8 F16 N28 O12 W4 -","4","1","","Beattie, Ross J.; White, Peter S.; Templeton, Joseph L.","Regioselectivity of Addition to the Azavinylidene Ligand in Tp′W(CO)(η2-HC≡CH)(N═CHMe): Electrophilic Addition versus Oxidation and Radical Coupling","Organometallics","2015","35","1","32","","10.1021/acs.organomet.5b00678","","","1.54178","CuKα","","0.023","0.0223","","","0.052","0.0524","","","","","","1.064","","","","has coordinates,has disorder","237083","2020-10-21","18:00:00",""
"4087889","9.9305","0.0002","14.6373","0.0003","22.0322","0.0005","90","","90","","90","","3202.51","0.12","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 Cl N O5 P Pt S -","- C34 H37 Cl N O5 P Pt S -","- C136 H148 Cl4 N4 O20 P4 Pt4 S4 -","4","1","","Ma, Mengtao; Zhang, Na; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Metal Effects on the Asymmetric Cycloaddition Reaction between 3,4-Dimethyl-1-phenylphosphole and Sulfoxide","Organometallics","2015","34","20","5081","","10.1021/acs.organomet.5b00682","","","0.71073","MoKα","","0.0265","0.0216","","","0.05","0.0709","","","","","","1.116","","","","has coordinates","237089","2020-10-21","18:00:00",""
"4087891","10.2265","0.0005","14.4513","0.0007","16.0003","0.0007","90","","90","","90","","2364.62","0.19","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl4 O P Pt S -","- C21 H23 Cl4 O P Pt S -","- C84 H92 Cl16 O4 P4 Pt4 S4 -","4","1","","Ma, Mengtao; Zhang, Na; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Metal Effects on the Asymmetric Cycloaddition Reaction between 3,4-Dimethyl-1-phenylphosphole and Sulfoxide","Organometallics","2015","34","20","5081","","10.1021/acs.organomet.5b00682","","","0.71073","MoKα","","0.0186","0.016","","","0.0428","0.057","","","","","","1.087","","","","has coordinates","237092","2020-10-21","18:00:00",""
"4087895","14.7188","0.0017","15.7868","0.0019","19.229","0.002","90","","90","","90","","4468.1","0.9","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 Cl2 Mn N4 -","- C48 H54 Cl2 Mn N4 -","- C192 H216 Cl8 Mn4 N16 -","4","1","","Al-Afyouni, Malik H.; Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis and Reactivity of Manganese(II) Complexes Containing N-Heterocyclic Carbene Ligands","Organometallics","2015","34","20","5088","","10.1021/acs.organomet.5b00684","","","0.71073","MoKα","","0.0328","0.0323","","","0.0871","0.0878","","","","","","1.013","","","","has coordinates","237096","2020-10-21","18:00:00",""
"4087902","9.2485","0.0005","10.546","0.0005","41.022","0.002","90","","90","","90","","4001.1","0.3","296","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H61 O2 P3 Pd -","- C37 H61 O2 P3 Pd -","- C148 H244 O8 P12 Pd4 -","4","1","","Yang, Jia; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao","Mechanistic Studies on the Palladium-Catalyzed Cross Dehydrogenative Coupling of P(O)‒H Compounds with Terminal Alkynes: Stereochemistry and Reactive Intermediates","Organometallics","2015","34","20","5095","","10.1021/acs.organomet.5b00687","","","0.71073","MoKα","","0.0699","0.0436","","","0.0636","0.0689","","","","","","0.981","","","","has coordinates","237104","2020-10-21","18:00:00",""
"4087907","10.5266","0.0006","15.0302","0.0009","25.5812","0.0015","90","","90","","90","","4047.4","0.4","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H57 Cl N O P Pd -","- C45 H57 Cl N O P Pd -","- C180 H228 Cl4 N4 O4 P4 Pd4 -","4","1","","Gorunova, Olga N.; Novitskiy, Ivan M.; Grishin, Yuri K.; Gloriozov, Igor P.; Roznyatovsky, Vitaly A.; Khrustalev, Victor N.; Kochetkov, Konstantin A.; Dunina, Valery V.","Determination of the Absolute Configuration of CN-Palladacycles by 31P{1H} NMR Spectroscopy Using (1R,2S,5R)-Menthyloxydiphenylphosphine as the Chiral Derivatizing Agent: Efficient Chirality Transfer in Phosphinite Adducts","Organometallics","2016","35","2","75","","10.1021/acs.organomet.5b00706","","","0.71073","MoKα","","0.0857","0.0658","","","0.0995","0.1065","","","","","","1.031","","","","has coordinates","237112","2020-10-21","18:00:00",""
"4087993","5.6283","0.0003","17.6395","0.0011","23.9438","0.0016","90","","90","","90","","2377.1","0.3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Br O2 P -","- C29 H24 Br O2 P -","- C116 H96 Br4 O8 P4 -","4","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Asymmetric 1,4-Conjugate Addition of Diarylphosphines to α,β,γ,δ-Unsaturated Ketones Catalyzed by Transition-Metal Pincer Complexes","Organometallics","2015","34","20","5196","","10.1021/acs.organomet.5b00787","","","0.71073","MoKα","","0.1141","0.0591","","","0.1089","0.1302","","","","","","0.899","","","","has coordinates","237179","2020-10-21","18:00:00",""
"4088022","10.4679","0.0003","11.661","0.0003","24.7749","0.0008","90","","90","","90","","3024.18","0.15","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 F2 Ni O3 P3 -","- C30 H33 F2 Ni O3 P3 -","- C120 H132 F8 Ni4 O12 P12 -","4","1","","Harrison, Daniel J.; Daniels, Alex L.; Korobkov, Ilia; Baker, R. Tom","d10 Nickel Difluorocarbenes and Their Cycloaddition Reactions with Tetrafluoroethylene","Organometallics","2015","34","24","5683","","10.1021/acs.organomet.5b00808","","","0.71073","MoKα","","0.0644","0.0396","","","0.0716","0.078","","","","","","1.016","","","","has coordinates,has disorder","237220","2020-10-21","18:00:00",""
"4088103","7.1117","0.0003","15.6717","0.0007","17.0417","0.0008","90","","90","","90","","1899.34","0.15","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chloro-(η^4^-1,5-cyclooctadienyl)-(ferrocenyl-ethoxy-carbene)-rhodium","","- C21 H26 Cl Fe O Rh -","- C21 H26 Cl Fe O Rh -","- C84 H104 Cl4 Fe4 O4 Rh4 -","4","1","","Ramollo, G. Kabelo; López-Gómez, María J.; Liles, David C.; Matsinha, Leah C.; Smith, Gregory S.; Bezuidenhout, Daniela I.","Rhodium(I) Ferrocenylcarbene Complexes: Synthesis, Structural Determination, Electrochemistry, and Application as Hydroformylation Catalyst Precursors","Organometallics","2015","34","24","5745","","10.1021/acs.organomet.5b00843","","","0.71073","MoKα","","0.0438","0.0344","","","0.0673","0.0701","","","","","","1.074","","","","has coordinates","237274","2020-10-21","18:00:00",""
"4088251","11.752","0.003","13.584","0.004","32.731","0.009","90","","90","","90","","5225","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H46 Cl8 O9 P2 Pd -","- C51 H46 Cl8 O9 P2 Pd -","- C204 H184 Cl32 O36 P8 Pd4 -","4","1","","Rovira, Laura; Fernández-Pérez, Héctor; Vidal-Ferran, Anton","Palladium-Based Supramolecularly Regulated Catalysts for Asymmetric Allylic Substitutions","Organometallics","2016","35","4","528","","10.1021/acs.organomet.5b00962","","","0.71073","MoKα","","0.099","0.0512","","","0.0931","0.1099","","","","","","0.935","","","","has coordinates,has disorder","237414","2020-10-21","18:00:00",""
"4088252","12.5154","0.0008","22.1406","0.0012","26.2373","0.0017","90","","90","","90","","7270.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H72 Cl2 O13 P2 Pd -","- C70 H72 Cl2 O13 P2 Pd -","- C280 H288 Cl8 O52 P8 Pd4 -","4","1","","Rovira, Laura; Fernández-Pérez, Héctor; Vidal-Ferran, Anton","Palladium-Based Supramolecularly Regulated Catalysts for Asymmetric Allylic Substitutions","Organometallics","2016","35","4","528","","10.1021/acs.organomet.5b00962","","","0.71073","MoKα","","0.1336","0.0657","","","0.1466","0.1675","","","","","","0.982","","","","has coordinates,has disorder","237414","2020-10-21","18:00:00",""
"4088262","9.3854","0.0003","11.0383","0.0002","22.054","0.0006","90","","90","","90","","2284.77","0.1","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 F3 O6 P Si2 W -","- C15 H22 F3 O6 P Si2 W -","- C60 H88 F12 O24 P4 Si8 W4 -","4","1","","Kyri, Andreas W.; Schnakenburg, Gregor; Streubel, Rainer","C-Trifluoromethyl-Substituted 1,2-Oxaphosphetane Complexes: Synthetic and Structural Study","Organometallics","2016","35","4","563","","10.1021/acs.organomet.5b00974","","","0.71073","MoKα","","0.034","0.028","","","0.0484","0.05","","","","","","1.017","","","","has coordinates","237423","2020-10-21","18:00:00",""
"4088290","6.298","0.0012","8.218","0.0011","23.779","0.005","90","","90","","90","","1230.7","0.4","198","","198","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br N S2 -","- C11 H10 Br N S2 -","- C44 H40 Br4 N4 S8 -","4","1","","Leopold, Hendrik; Tronnier, Alexander; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas","Photoluminescence of a New Material: Cyclometalated C∧C* Thiazole-2-ylidene Platinum(II) Complexes","Organometallics","2016","35","7","959","","10.1021/acs.organomet.5b00991","","x-ray","0.71073","MoKα","","0.1383","0.0464","","","0.0876","0.1179","","","","","","1.369","","","","has coordinates","237443","2020-10-21","18:00:00",""
"4088330","9.4381","0.0016","12.831","0.002","17.115","0.003","90","","90","","90","","2072.6","0.6","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 Cl2 N2 P Pd -","- C18 H29 Cl2 N2 P Pd -","- C72 H116 Cl8 N8 P4 Pd4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiia N.; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Chelate Palladium(II) Complexes with Saturated N-Phosphanyl-N-Heterocyclic Carbene Ligands: Synthesis and Catalysis","Organometallics","2016","35","5","762","","10.1021/acs.organomet.5b01019","","","0.71073","MoKα","","0.0539","0.0482","","0.0525","0.0513","0.0503","","","","","","1.0722","","","","has coordinates","237470","2020-10-21","18:00:00",""
"4088372","11.2213","0.0004","14.6564","0.0006","16.1887","0.0006","90","","90","","90","","2662.46","0.17","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 Cl3 Fe Ga O4 P -","- C22 H33 Cl3 Fe Ga O4 P -","- C88 H132 Cl12 Fe4 Ga4 O16 P4 -","4","1","","Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph","Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations","Organometallics","2016","35","7","1002","","10.1021/acs.organomet.6b00045","","","0.71073","MoKα","","0.0258","0.0232","","","0.0533","0.0544","","","","","","1.028","","","","has coordinates","237514","2020-10-21","18:00:00",""
"4088391","9.8998","0.0008","12.2393","0.0009","21.0855","0.0016","90","","90","","90","","2554.9","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H40 B9 N2 O Ta -","- C19 H25 B9 N2 O Ta -","- C76 H100 B36 N8 O4 Ta4 -","4","1","","Xiang, Li; Xie, Zuowei","Reaction of [η1:η5-(R2NCH2CH2)C2B9H10]TaMe3 with Isonitriles: Effects of Nitrogen Substituents on Product Formation","Organometallics","2016","35","10","1430","","10.1021/acs.organomet.6b00053","","","0.71073","MoKα","","0.0484","0.0469","","","0.1183","0.1198","","","","","","1.027","","","","has coordinates,has disorder","237539","2020-10-21","18:00:00",""
"4088410","7.7348","0.0001","15.8097","0.0003","17.5647","0.0003","90","","90","","90","","2147.9","0.06","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Ni3 S4 -","- C22 H18 Ni3 S4 -","- C88 H72 Ni12 S16 -","4","1","","Chambers, Geoffrey M.; Rauchfuss, Thomas B.; Arrigoni, Federica; Zampella, Giuseppe","Effect of Pyramidalization of the M2(SR)2Center: The Case of (C5H5)2Ni2(SR)2","Organometallics","2016","35","5","836","","10.1021/acs.organomet.6b00068","","","0.71073","MoKα","","0.0414","0.0312","","","0.0462","0.0486","","","","","","0.875","","","","has coordinates,has disorder","237551","2020-10-21","18:00:00",""
"4088419","9.231","0.0013","13.687","0.002","17.612","0.003","90","","90","","90","","2225.2","0.6","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cu Fe I N O -","- C24 H23 Cu Fe I N O -","- C96 H92 Cu4 Fe4 I4 N4 O4 -","4","1","","Deb, Mayukh; Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Unprecedented Formation of π-Copper Complexes during Sonogashira Coupling: Synthesis of a Unique, Recyclable, Ethynyl Ferrocene Derived Cu(I) Specific Ligand","Organometallics","2016","35","8","1086","","10.1021/acs.organomet.6b00069","","","0.71073","MoKα","","0.0567","0.0536","","","0.1121","0.1135","","","","","","1.293","","","","has coordinates","237553","2020-10-21","18:00:00",""
"4088421","9.5006","0.0012","13.0647","0.0016","19.113","0.002","90","","90","","90","","2372.4","0.5","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 Cu Fe I N O -","- C27 H21 Cu Fe I N O -","- C108 H84 Cu4 Fe4 I4 N4 O4 -","4","1","","Deb, Mayukh; Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Unprecedented Formation of π-Copper Complexes during Sonogashira Coupling: Synthesis of a Unique, Recyclable, Ethynyl Ferrocene Derived Cu(I) Specific Ligand","Organometallics","2016","35","8","1086","","10.1021/acs.organomet.6b00069","","","0.71073","MoKα","","0.0637","0.0554","","","0.1094","0.1125","","","","","","1.198","","","","has coordinates","237553","2020-10-21","18:00:00",""
"4088460","9.7053","0.0003","12.6208","0.0003","15.5751","0.0005","90","","90","","90","","1907.77","0.1","298.1","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N4 -","- C23 H24 N4 -","- C92 H96 N16 -","4","1","","Song, Zhiyi; Hsieh, Yi-Fang; Nakajima, Kiyohiko; Kanno, Ken-ichiro; Takahashi, Tamotsu","Separation of Five Linearly Aligned Carbons into Two-Carbon and Three-Carbon Groups on Titanium","Organometallics","2016","35","8","1092","","10.1021/acs.organomet.6b00112","","","0.71075","MoKα","","","0.0428","","","","0.0365","","","","","","1.014","","","","has coordinates","237592","2020-10-21","18:00:00",""
"4088461","14.904","0.004","17.034","0.005","19.351","0.006","90","","90","","90","","4913","2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H79 Cl N P2 Rh -","- C53 H79 Cl N P2 Rh -","- C212 H316 Cl4 N4 P8 Rh4 -","4","1","","Taguchi, Hiro-omi; Sasaki, Daichi; Takeuchi, Katsuhiko; Tsujimoto, Shota; Matsuo, Tsukasa; Tanaka, Hiromasa; Yoshizawa, Kazunari; Ozawa, Fumiyuki","Unsymmetrical PNP-Pincer Type Phosphaalkene Ligands Protected by a Fused-Ring Bulky Eind Group: Synthesis and Applications to Rh(I) and Ir(I) Complexes","Organometallics","2016","35","10","1526","","10.1021/acs.organomet.6b00113","","","0.71075","MoKα","","0.1108","0.0796","","","0.1918","0.2333","","","","","","1.072","","","","has coordinates","237594","2020-10-21","18:00:00",""
"4088462","14.9689","0.0018","16.995","0.002","19.372","0.002","90","","90","","90","","4928.2","1","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H79 Cl Ir N P2 -","- C53 H79 Cl Ir N P2 -","- C212 H316 Cl4 Ir4 N4 P8 -","4","1","","Taguchi, Hiro-omi; Sasaki, Daichi; Takeuchi, Katsuhiko; Tsujimoto, Shota; Matsuo, Tsukasa; Tanaka, Hiromasa; Yoshizawa, Kazunari; Ozawa, Fumiyuki","Unsymmetrical PNP-Pincer Type Phosphaalkene Ligands Protected by a Fused-Ring Bulky Eind Group: Synthesis and Applications to Rh(I) and Ir(I) Complexes","Organometallics","2016","35","10","1526","","10.1021/acs.organomet.6b00113","","","0.71075","MoKα","","0.0211","0.0198","","","0.044","0.0591","","","","","","1.074","","","","has coordinates","237594","2020-10-21","18:00:00",""
"4088532","8.1111","0.0011","15.469","0.002","18.145","0.002","90","","90","","90","","2276.7","0.5","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cl2 Co Fe N O P -","- C20 H28 Cl2 Co Fe N O P -","- C80 H112 Cl8 Co4 Fe4 N4 O4 P4 -","4","1","","Yao, Wubing; Fang, Huaquan; Peng, Sihan; Wen, Huanan; Zhang, Lei; Hu, Aiguo; Huang, Zheng","Cobalt-Catalyzed Borylation of Aryl Halides and Pseudohalides","Organometallics","2016","35","10","1559","","10.1021/acs.organomet.6b00161","","","0.71073","MoKα","","0.0728","0.0558","","","0.1004","0.1064","","","","","","1.033","","","","has coordinates","237647","2020-10-21","18:00:00",""
"4088533","10.9345","0.0015","14.2498","0.0019","16.503","0.002","90","","90","","90","","2571.4","0.6","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Cl2 Co Fe N O P -","- C26 H24 Cl2 Co Fe N O P -","- C104 H96 Cl8 Co4 Fe4 N4 O4 P4 -","4","1","","Yao, Wubing; Fang, Huaquan; Peng, Sihan; Wen, Huanan; Zhang, Lei; Hu, Aiguo; Huang, Zheng","Cobalt-Catalyzed Borylation of Aryl Halides and Pseudohalides","Organometallics","2016","35","10","1559","","10.1021/acs.organomet.6b00161","","","0.71073","MoKα","","0.0503","0.0445","","","0.0926","0.0947","","","","","","1.097","","","","has coordinates","237649","2020-10-21","18:00:00",""
"4088553","14.8189","0.0001","19.564","0.0001","30.6463","0.0002","90","","90","","90","","8884.88","0.09","150","2","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C93 H88 B2 F24 N4 O3 Ru -","- C93 H88 B2 F24 N4 O3 Ru -","- C372 H352 B8 F96 N16 O12 Ru4 -","4","1","","Riddlestone, Ian M.; McKay, David; Gutmann, Matthias J.; Macgregor, Stuart A.; Mahon, Mary F.; Sparkes, Hazel A.; Whittlesey, Michael K.","Isolation of [Ru(IPr)2(CO)H]+ (IPr = 1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene) and Reactivity toward E‒H (E = H, B) Bonds","Organometallics","2016","35","9","1301","","10.1021/acs.organomet.6b00173","","X-rays-AND-NEUTRONS","1.54184","CuKα","","0.0762","0.0747","","","0.1605","0.1613","","","","","","3.18","","","","has coordinates","237662","2020-10-21","18:00:00",""
"4088611","10.774","0.0014","14.3488","0.0018","17.717","0.002","90","","90","","90","","2738.9","0.6","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Cl2 N3 O2 Rh -","- C27 H34 Cl2 N3 O2 Rh -","- C108 H136 Cl8 N12 O8 Rh4 -","4","1","","Ito, Jun-ichi; Sugino, Kanae; Matsushima, Satoru; Sakaguchi, Hiroki; Iwata, Hiroshi; Ishihara, Takahiro; Nishiyama, Hisao","Synthesis of NHC-Oxazoline Pincer Complexes of Rh and Ru and Their Catalytic Activity for Hydrogenation and Conjugate Reduction","Organometallics","2016","35","11","1885","","10.1021/acs.organomet.6b00239","","","0.71073","MoKα","","0.0294","0.0279","","","0.0633","0.0639","","","","","","1.089","","","","has coordinates","237701","2020-10-21","18:00:00",""
"4088612","10.0305","0.0005","12.0179","0.0007","19.1095","0.001","90","","90","","90","","2303.6","0.2","93","0.2","93","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N3 O4 Ru -","- C24 H31 N3 O4 Ru -","- C96 H124 N12 O16 Ru4 -","4","1","","Ito, Jun-ichi; Sugino, Kanae; Matsushima, Satoru; Sakaguchi, Hiroki; Iwata, Hiroshi; Ishihara, Takahiro; Nishiyama, Hisao","Synthesis of NHC-Oxazoline Pincer Complexes of Rh and Ru and Their Catalytic Activity for Hydrogenation and Conjugate Reduction","Organometallics","2016","35","11","1885","","10.1021/acs.organomet.6b00239","","","0.71073","MoKα","","0.0199","0.0185","","","0.0456","0.0533","","","","","","1.195","","","","has coordinates","237701","2020-10-21","18:00:00",""
"4088617","10.6392","0.0001","16.9432","0.0002","30.9376","0.0005","90","","90","","90","","5576.88","0.12","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H52 Cl8 N4 O2 Zr2 -","- C56 H52 Cl8 N4 O2 Zr2 -","- C224 H208 Cl32 N16 O8 Zr8 -","4","1","","Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich","Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization","Organometallics","2016","35","11","1906","","10.1021/acs.organomet.6b00240","","","0.71073","MoKα","","0.0451","0.0436","","","0.1213","0.1234","","","","","","1.05","","","","has coordinates","237710","2020-10-21","18:00:00",""
"4088620","7.9953","0.0001","16.3071","0.0002","17.5627","0.0003","90","","90","","90","","2289.83","0.06","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Cl3 N4 O Zr -","- C23 H19 Cl3 N4 O Zr -","- C92 H76 Cl12 N16 O4 Zr4 -","4","1","","Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich","Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization","Organometallics","2016","35","11","1906","","10.1021/acs.organomet.6b00240","","","0.71073","MoKα","","0.0403","0.0377","","","0.0795","0.0818","","","","","","1.057","","","","has coordinates","237716","2020-10-21","18:00:00",""
"4088628","11.892","0.005","14.039","0.005","15.03","0.005","90","","90","","90","","2509.3","1.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H45 Fe N O2 P2 -","- C22 H45 Fe N O2 P2 -","- C88 H180 Fe4 N4 O8 P8 -","4","1","","Schneck, Felix; Assmann, Maik; Balmer, Markus; Harms, Klaus; Langer, Robert","Selective Hydrogenation of Amides to Amines and Alcohols Catalyzed by Improved Iron Pincer Complexes","Organometallics","2016","35","11","1931","","10.1021/acs.organomet.6b00251","","","0.71073","MoKα","","0.0292","0.0257","","","0.0581","0.0592","","","","","","1.02","","","","has coordinates","237724","2020-10-21","18:00:00",""
"4088635","7.3906","0.0005","10.8532","0.0005","26.5171","0.0012","90","","90","","90","","2127","0.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Ge2 S4 -","- C20 H18 Ge2 S4 -","- C80 H72 Ge8 S16 -","4","1","","Nakamura, Masashi; Ooyama, Yousuke; Hayakawa, Shinjiro; Nishino, Makoto; Ohshita, Joji","Synthesis of Poly(dithienogermole)s","Organometallics","2016","35","14","2333","","10.1021/acs.organomet.6b00263","","","0.71075","MoKα","","0.0288","0.0242","","","0.0722","0.0787","","","","","","0.626","","","","has coordinates","237737","2020-10-21","18:00:00",""
"4088640","12.1285","0.0002","13.3506","0.0002","15.4421","0.0002","90","","90","","90","","2500.43","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 B Fe2 P Sn -","- C26 H34 B Fe2 P Sn -","- C104 H136 B4 Fe8 P4 Sn4 -","4","1","","Chen, Jiawei; Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, Frieder","Heteroatom-Bridged ortho-Biferrocenes: Stereoselective Synthesis, Structural Features, and Electrochemical Properties","Organometallics","2016","35","11","1964","","10.1021/acs.organomet.6b00272","","","1.54178","CuKα","","0.019","0.018","","","0.044","0.044","","","","","","1.05","","","","has coordinates","237741","2020-10-21","18:00:00",""
"4088665","9.482","0.003","16.964","0.005","21.258","0.007","90","","90","","90","","3419.4","1.9","140","2","140.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 B Gd N2 O Si -","- C37 H48 B Gd N2 O Si -","- C148 H192 B4 Gd4 N8 O4 Si4 -","4","1","","Wang, Chunhong; Xiang, Li; Leng, Xuebing; Chen, Yaofeng","Synthesis and Structure of Silicon-Bridged Boratabenzene Fluorenyl Rare-Earth Metal Complexes","Organometallics","2016","35","11","1995","","10.1021/acs.organomet.6b00282","","","0.71073","MoKα","","0.0829","0.0809","","","0.1895","0.1908","","","","","","1.072","","","","has coordinates,has disorder","237754","2020-10-21","18:00:00",""
"4088700","9.0793","0.0006","11.851","0.0005","32.869","0.002","90","","90","","90","","3536.7","0.4","123","2","123","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H47 F3 O3 P Rh S -","- C37 H47 F3 O3 P Rh S -","- C148 H188 F12 O12 P4 Rh4 S4 -","4","1","","Martínez de Salinas, Sara; Díez, Josefina; Falvello, Larry R.; González, Javier; Gamasa, M. Pilar; Lastra, Elena","Intramolecular C‒C Coupling Reactions of Alkynyl, Vinylidene, and Alkenylphosphane Ligands in Rhodium(III) Complexes","Organometallics","2016","35","17","2793","","10.1021/acs.organomet.6b00330","","","1.5418","CuKα","","0.0335","0.0304","","","0.0761","0.0777","","","","","","1.041","","","","has coordinates","237778","2020-10-21","18:00:00",""
"4088734","13.408","0.0003","17.5419","0.0005","36.4878","0.0012","90","","90","","90","","8582","0.4","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C92 H92 Ba2 N8 -","- C92 H92 Ba2 N8 -","- C368 H368 Ba8 N32 -","4","1","","He, Meng; Gamer, Michael T.; Roesky, Peter W.","Homoleptic Chiral Benzamidinate Complexes of the Heavier Alkaline Earth Metals and the Divalent Lanthanides","Organometallics","2016","35","16","2638","","10.1021/acs.organomet.6b00373","","","0.71073","MoKα","","0.0315","0.024","","","0.0484","0.0496","","","","","","0.884","","","","has coordinates,has disorder","237797","2020-10-21","18:00:00",""
"4088735","11.6826","0.0002","19.3775","0.0004","21.5662","0.0006","90","","90","","90","","4882.15","0.19","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H62 Eu N4 O2 -","- C54 H62 Eu N4 O2 -","- C216 H248 Eu4 N16 O8 -","4","1","","He, Meng; Gamer, Michael T.; Roesky, Peter W.","Homoleptic Chiral Benzamidinate Complexes of the Heavier Alkaline Earth Metals and the Divalent Lanthanides","Organometallics","2016","35","16","2638","","10.1021/acs.organomet.6b00373","","","0.71073","MoKα","","0.0447","0.0277","","","0.0585","0.0624","","","","","","0.923","","","","has coordinates,has disorder","237797","2020-10-21","18:00:00",""
"4088736","11.6521","0.0002","19.2686","0.0003","21.4853","0.0004","90","","90","","90","","4823.87","0.14","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H62 N4 O2 Yb -","- C54 H62 N4 O2 Yb -","- C216 H248 N16 O8 Yb4 -","4","1","","He, Meng; Gamer, Michael T.; Roesky, Peter W.","Homoleptic Chiral Benzamidinate Complexes of the Heavier Alkaline Earth Metals and the Divalent Lanthanides","Organometallics","2016","35","16","2638","","10.1021/acs.organomet.6b00373","","","0.71073","MoKα","","0.0219","0.0182","","","0.0396","0.0402","","","","","","0.928","","","","has coordinates,has disorder","237797","2020-10-21","18:00:00",""
"4088741","8.6366","0.0004","13.4788","0.0007","21.6573","0.001","90","","90","","90","","2521.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 Co N5 O2 -","- C23 H40 Co N5 O2 -","- C92 H160 Co4 N20 O8 -","4","1","","Hering, Florian; Berthel, Johannes H. J.; Lubitz, Katharina; Paul, Ursula S. D.; Schneider, Heidi; Härterich, Marcel; Radius, Udo","Synthesis and Thermal Properties of Novel NHC-Stabilized Cobalt Carbonyl Nitrosyl Complexes","Organometallics","2016","35","17","2806","","10.1021/acs.organomet.6b00374","","","0.71073","MoKα","","0.0265","0.0245","","","0.0633","0.0643","","","","","","1.05","","","","has coordinates","237801","2020-10-21","18:00:00",""
"4088827","13.09","0.003","15.73","0.003","20.086","0.004","90","","90","","90","","4135.8","1.5","233","2","233","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H64 Ge2 Mg O2 Si6 -","- C24 H64 Ge2 Mg O2 Si6 -","- C96 H256 Ge8 Mg4 O8 Si24 -","4","1","","Walewska, Małgorzata; Hlina, Johann; Baumgartner, Judith; Müller, Thomas; Marschner, Christoph","Basic Reactivity Pattern of a Cyclic Disilylated Germylene.","Organometallics","2016","35","16","2728","2737","10.1021/acs.organomet.6b00482","","","0.71073","MoKα","","0.0976","0.0651","","","0.1205","0.1309","","","","","","1.065","","","","has coordinates","237850","2020-10-21","18:00:00",""
"4088875","11.3332","0.0001","11.4658","0.0002","36.061","0.0004","90","","90","","90","","4685.92","0.11","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H59 I4 La Li2 N2 O4 -","- C37 H59 I4 La Li2 N2 O4 -","- C148 H236 I16 La4 Li8 N8 O16 -","4","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0552","0.0502","","","0.13","0.1397","","","","","","1.104","","","","has coordinates","237868","2020-10-21","18:00:00",""
"4088876","12.4537","0.0013","16.5826","0.0016","18.5953","0.0012","90","","90","","90","","3840.2","0.6","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 Cl N4 Sc -","- C42 H54 Cl N4 Sc -","- C168 H216 Cl4 N16 Sc4 -","4","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.1441","0.0593","","","0.0788","0.0978","","","","","","0.902","","","","has coordinates","237868","2020-10-21","18:00:00",""
"4088880","14.6919","0.0002","16.0293","0.0002","21.4446","0.0003","90","","90","","90","","5050.22","0.12","200","","200","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H70 Cl2 Li N4 O2 Sm -","- C50 H70 Cl2 Li N4 O2 Sm -","- C200 H280 Cl8 Li4 N16 O8 Sm4 -","4","1","","Brunner, Tobias S.; Benndorf, Paul; Gamer, Michael T.; Knöfel, Nicolai; Gugau, Katharina; Roesky, Peter W.","Enantiopure Amidinate Complexes of the Rare-Earth Elements","Organometallics","2016","35","20","3474","","10.1021/acs.organomet.6b00523","","","0.71073","MoKα","","0.0214","0.0187","","","0.0416","0.0422","","","","","","0.974","","","","has coordinates,has disorder","237868","2020-10-21","18:00:00",""
"4088900","8.354","0.0013","9.2101","0.0015","21.622","0.003","90","","90","","90","","1663.6","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 F2 O2 P Rh -","- C16 H26 F2 O2 P Rh -","- C64 H104 F8 O8 P4 Rh4 -","4","1","","Shvydkiy, Nikita V.; Trifonova, Evgeniya A.; Shved, Andrei M.; Nelyubina, Yulia V.; Chusov, Denis; Perekalin, Dmitry S.; Kudinov, Alexander R.","Cyclobutadiene Arene Complexes of Rhodium and Iridium","Organometallics","2016","35","17","3025","","10.1021/acs.organomet.6b00539","","","0.71073","MoKα","","0.0678","0.0578","","","0.1509","0.1589","","","","","","1.093","","","","has coordinates,has disorder","237873","2020-10-21","18:00:00",""
"4088903","10.8512","0.0003","17.8546","0.0005","17.9252","0.0005","90","","90","","90","","3472.9","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H55 B10 N3 -","- C30 H55 B10 N3 -","- C120 H220 B40 N12 -","4","1","","Wang, Hao; Zhang, Jiji; Lin, Zhenyang; Xie, Zuowei","Synthesis and Structural Characterization of Carbene-Stabilized Carborane-Fused Azaborolyl Radical Cation and Dicarbollyl-Fused Azaborole","Organometallics","2016","35","16","2579","","10.1021/acs.organomet.6b00545","","","0.71073","MoKα","","0.1949","0.0715","","","0.1291","0.1688","","","","","","0.97","","","","has coordinates","237874","2020-10-21","18:00:00",""
"4088915","17.403","0.0007","14.0758","0.0006","15.9506","0.0006","90","","90","","90","","3907.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 Ag2 F14 S2 Sb2 -","- C34 H34 Ag2 F14 S2 Sb2 -","- C136 H136 Ag8 F56 S8 Sb8 -","4","1","","Santschi, Nico; Thiehoff, Christian; Holland, Mareike C.; Daniliuc, Constantin G.; Houk, K. N.; Gilmour, Ryan","The Sulfur‒Fluorine Gauche Effect in Coinage-Metal Complexes: Augmenting Conformational Equilibria by Complexation","Organometallics","2016","35","17","3040","","10.1021/acs.organomet.6b00564","","","0.71073","MoKα","","0.0305","0.0302","","","0.0755","0.0756","","","","","","1.21","","","","has coordinates","237879","2020-10-21","18:00:00",""
"4088948","13.004","0.0004","16.7893","0.0005","49.3856","0.0015","90","","90","","90","","10782.3","0.6","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H63 B Fe3 -","- C66 H63 B Fe3 -","- C528 H504 B8 Fe24 -","8","2","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Wyman, Ian; Schatte, Gabriele; Ding, Zhifeng; Wang, Suning","Triarylborane-Supported Polyferrocenyl Systems: Impact of the Linking Unit on Electronic and Electrochemical Properties","Organometallics","2016","35","17","3051","","10.1021/acs.organomet.6b00574","","","0.71073","MoKα","","0.093","0.0628","","","0.138","0.1505","","","","","","1.067","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4089055","7.8184","0.0013","13.242","0.002","20.089","0.003","90","","90","","90","","2079.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 I N3 -","- C21 H26 I N3 -","- C84 H104 I4 N12 -","4","1","","Hettmanczyk, Lara; Schulze, Dennis; Suntrup, Lisa; Sarkar, Biprajit","Mono- and Digold(I) Complexes with Mesoionic Carbenes: Structural Characterization and Use in Catalytic Silver-Free Oxazoline Formation","Organometallics","2016","35","22","3828","","10.1021/acs.organomet.6b00675","","","0.71073","MoKα","","0.043","0.0364","","","0.0758","0.0794","","","","","","1.149","","","","has coordinates","237956","2020-10-21","18:00:00",""
"4089056","9.177","0.005","14.734","0.005","19.948","0.005","90","0.005","90","0.005","90","0.005","2697.2","1.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 Au Cl N3 -","- C27 H37 Au Cl N3 -","- C108 H148 Au4 Cl4 N12 -","4","1","","Hettmanczyk, Lara; Schulze, Dennis; Suntrup, Lisa; Sarkar, Biprajit","Mono- and Digold(I) Complexes with Mesoionic Carbenes: Structural Characterization and Use in Catalytic Silver-Free Oxazoline Formation","Organometallics","2016","35","22","3828","","10.1021/acs.organomet.6b00675","","","0.71069","MoKα","","0.0449","0.0362","","","0.0742","0.0768","","","","","","1.039","","","","has coordinates","237956","2020-10-21","18:00:00",""
"4089102","11.1012","0.0001","13.1064","0.0001","31.3204","0.0003","90","","90","","90","","4557.02","0.07","153","2","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H58 N4 O Ru -","- C58 H58 N4 O Ru -","- C232 H232 N16 O4 Ru4 -","4","1","","Paul, Daniel; Beiring, Bernhard; Plois, Markus; Ortega, Nuria; Kock, Slawomir; Schlüns, Danny; Neugebauer, Johannes; Wolf, Robert; Glorius, Frank","A Cyclometalated Ruthenium-NHC Precatalyst for the Asymmetric Hydrogenation of (Hetero)arenes and Its Activation Pathway","Organometallics","2016","35","20","3641","","10.1021/acs.organomet.6b00702","","","1.54178","CuKα","","0.0371","0.0347","","","0.0876","0.0887","","","","","","1.023","","","","has coordinates","237983","2020-10-21","18:00:00",""
"4089108","9.5793","0.0003","19.0106","0.0005","29.2941","0.0009","90","","90","","90","","5334.7","0.3","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H75 Br2 Fe2 N O3 P2 -","- C56 H75 Br2 Fe2 N O3 P2 -","- C224 H300 Br8 Fe8 N4 O12 P8 -","4","1","","Zirakzadeh, Afrooz; Kirchner, Karl; Roller, Alexander; Stöger, Berthold; Widhalm, Michael; Morris, Robert H.","Iron(II) Complexes Containing Chiral Unsymmetrical PNP′ Pincer Ligands: Synthesis and Application in Asymmetric Hydrogenations","Organometallics","2016","35","21","3781","","10.1021/acs.organomet.6b00711","","","1.54178","CuKα","","0.0464","0.0435","","","0.1069","0.1088","","","","","","1.056","","","","has coordinates,has disorder","237990","2020-10-21","18:00:00",""
"4089125","7.3713","0.0009","14.0596","0.0017","17.685","0.002","90","","90","","90","","1832.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O W -","- C20 H27 N O W -","- C80 H108 N4 O4 W4 -","4","1","","Wakeham, Russell J.; Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Selective Functionalization of a Variety of Hydrocarbon C(sp3)‒H Bonds Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHPh)","Organometallics","2016","36","1","39","","10.1021/acs.organomet.6b00739","","x-ray","0.71073","MoKα","","0.0184","0.0173","","","0.0386","0.0389","","","","","","1.062","","","","has coordinates","238001","2020-10-21","18:00:00",""
"4089129","14.988","0.003","15.104","0.003","18.11","0.004","90","","90","","90","","4099.7","1.5","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl N O W -","- C22 H30 Cl N O W -","- C176 H240 Cl8 N8 O8 W8 -","8","2","","Wakeham, Russell J.; Baillie, Rhett A.; Patrick, Brian O.; Legzdins, Peter; Rosenfeld, Devon C.","Selective Functionalization of a Variety of Hydrocarbon C(sp3)‒H Bonds Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHPh)","Organometallics","2016","36","1","39","","10.1021/acs.organomet.6b00739","","","0.71073","MoKα","","0.0399","0.0313","","","0.0628","0.0665","","","","","","1.092","","","","has coordinates","238001","2020-10-21","18:00:00",""
"4089131","9.4996","0.0019","17.176","0.003","21.292","0.004","90","","90","","90","","3474.1","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H58 O Pt Si7 -","- C24 H58 O Pt Si7 -","- C96 H232 O4 Pt4 Si28 -","4","1","","Iimura, Tomohiro; Akasaka, Naohiko; Iwamoto, Takeaki","A Dialkylsilylene-Pt(0) Complex with a DVTMS Ligand for the Catalytic Hydrosilylation of Functional Olefins","Organometallics","2016","35","24","4071","","10.1021/acs.organomet.6b00741","","","0.71073","MoKα","","0.0238","0.0196","","","0.0394","0.0403","","","","","","0.837","","","","has coordinates","238003","2020-10-21","18:00:00",""
"4089203","10.897","0.007","17.545","0.012","17.653","0.012","90","","90","","90","","3375","4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 Cl Fe N P2 -","- C38 H44 Cl Fe N P2 -","- C152 H176 Cl4 Fe4 N4 P8 -","4","1","","Zhang, Fanjun; Xu, Xin; Zhao, Yingjie; Jia, Jiong; Tung, Chen-Ho; Wang, Wenguang","Solvent Effects on Hydride Transfer from Cp*(P-P)FeH to BNA+ Cation","Organometallics","2017","36","7","1238","","10.1021/acs.organomet.6b00907","","","0.71","MoKα","","0.0792","0.0521","","","0.1049","0.1154","","","","","","0.989","","","","has coordinates","238034","2020-10-21","18:00:00",""
"4089240","16.0729","0.0009","27.9462","0.0016","10.8469","0.0005","90","","90","","90","","4872.2","0.5","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 Li2 N8 O2 P2 -","- C44 H72 Li2 N8 O2 P2 -","- C176 H288 Li8 N32 O8 P8 -","4","1","","Border, Emily C.; Maguire, Melissa; MacLellan, Jonathan G.; Andrews, Philip C.","Metal-Induced C‒N Bond Cleavage in the Decomposition of Alkali (R,R)-Bis(α-methylbenzyl)amide Complexes","Organometallics","2017","36","8","1496","","10.1021/acs.organomet.7b00074","","","0.71073","MoKα","","0.0997","0.0902","","","0.1952","0.199","","","","","","1.23","","","","has coordinates,has disorder","238051","2020-10-21","18:00:00",""
"4089242","9.7405","0.0019","13.242","0.003","28.184","0.006","90","","90","","90","","3635.3","1.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 Li0.76 N2 Na1.24 O2 -","- C40 H52 Li0.76 N2 Na1.24 O2 -","- C160 H208 Li3.04 N8 Na4.96 O8 -","4","1","","Border, Emily C.; Maguire, Melissa; MacLellan, Jonathan G.; Andrews, Philip C.","Metal-Induced C‒N Bond Cleavage in the Decomposition of Alkali (R,R)-Bis(α-methylbenzyl)amide Complexes","Organometallics","2017","36","8","1496","","10.1021/acs.organomet.7b00074","","","0.71073","MoKα","","0.1344","0.07","","","0.1662","0.1953","","","","","","1.02","","","","has coordinates,has disorder","238051","2020-10-21","18:00:00",""
"4089265","8.4174","0.0013","15.627","0.004","21.286","0.005","90","","90","","90","","2799.9","1.1","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 B N2 O2 -","- C14 H17 B N2 O2 -","- C112 H136 B8 N16 O16 -","8","2","","Zhang, Ying; Dan, Wenyan; Fang, Xiangdong","Metal Nitrate Mediated Regioselective Nitration of BN-Substituted Arenes","Organometallics","2017","36","9","1677","","10.1021/acs.organomet.7b00120","","","1.54178","CuKα","","0.0422","0.0384","","","0.0956","0.0986","","","","","","1.043","","","","has coordinates","238066","2020-10-21","18:00:00",""
"4089295","10.2494","0.0005","15.7035","0.0008","17.8108","0.001","90","","90","","90","","2866.7","0.3","100","2","99.99","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Al Cl4 N P2 -","- C27 H28 Al Cl4 N P2 -","- C108 H112 Al4 Cl16 N4 P8 -","4","1","","Lifschitz, Alejo M.; Hirscher, Nathanael A.; Lee, Heui Beom; Buss, Joshua A.; Agapie, Theodor","Ethylene Tetramerization Catalysis: Effects of Aluminum-Induced Isomerization of PNP to PPN Ligands","Organometallics","2017","36","8","1640","","10.1021/acs.organomet.7b00189","","","0.71073","MoKα","","0.0265","0.0237","","","0.0549","0.0582","","","","","","1.063","","","","has coordinates","238095","2020-10-21","18:00:00",""
"4089332","10.138","0.004","13.78","0.005","27.372","0.01","90","","90","","90","","3824","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 I O3 P2 Pd -","- C39 H43 I O3 P2 Pd -","- C156 H172 I4 O12 P8 Pd4 -","4","1","","Lu, Genliang; Portscheller, Janelle L.; Malinakova, Helena C.","Palladacycles with a Metal-Bonded sp3-Hybridized Carbon as Intermediates in the Synthesis of 2,2,3,4-Tetrasubstituted 2H-1-Benzopyrans and 1,2-Dihydroquinolines. Effects of Auxiliary Ligands and Substitution at a Palladium-Bonded Tertiary Carbon","Organometallics","2005","24","5","945","","10.1021/om0491544","","","0.71073","MoKα","","0.0339","0.0333","","","0.088","0.0884","","","","","","1.016","","","","has coordinates,has disorder","243612","2020-10-21","18:00:00",""
"4089349","9.0355","0.0007","15.7467","0.0012","25.57","0.002","90","","90","","90","","3638.1","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","holjv11","","","- C38 H54 Li2 N4 O3 -","- C38 H54 Li2 N4 O3 -","- C152 H216 Li8 N16 O12 -","4","1","","Vela, Javier; Zhu, Liwei; Flaschenriem, Christine J.; Brennessel, William W.; Lachicotte, Rene J.; Holland, Patrick L.","Macrocyclic Binucleating β-Diketiminate Ligands and their Lithium, Aluminum, and Zinc Complexes.","Organometallics","2007","26","14","3416","3423","10.1021/om0700258","","","0.71073","MoKα","","0.0949","0.058","","","0.1285","0.1421","","","","","","1.018","","","","has coordinates","243616","2020-10-21","18:00:00",""
"4089373","10.286","0.002","12.912","0.003","14.411","0.003","90","","90","","90","","1914","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 O Pd -","- C20 H20 Cl2 N2 O Pd -","- C80 H80 Cl8 N8 O4 Pd4 -","4","1","","Grach, Guillaume; Pieters, Grégory; Dinut, Aurelia; Terrasson, Vincent; Medimagh, Raouf; Bridoux, Alexandre; Razafimahaleo, Vanessa; Gaucher, Anne; Marque, Sylvain; Marrot, Jérôme; Prim, Damien; Gil, Richard; Planas, José Giner; Viñas, Clara; Thomas, Isabelle; Roblin, Jean-Philippe; Troin, Yves","N-Heterocyclic Pyridylmethylamines: Synthesis, Complexation, Molecular Structure, and Application to Asymmetric Suzuki‒Miyaura and Oxidative Coupling Reactions","Organometallics","2011","30","15","4074","","10.1021/om200375s","","","0.71073","MoKα","","0.0187","0.0157","","","0.0476","0.0627","","","","","","1.412","","","","has coordinates","243621","2020-10-21","18:00:00",""
"4089374","10.1669","0.0012","11.8011","0.0013","15.7914","0.0018","90","","90","","90","","1894.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 Pd -","- C20 H20 Cl2 N2 Pd -","- C80 H80 Cl8 N8 Pd4 -","4","1","","Grach, Guillaume; Pieters, Grégory; Dinut, Aurelia; Terrasson, Vincent; Medimagh, Raouf; Bridoux, Alexandre; Razafimahaleo, Vanessa; Gaucher, Anne; Marque, Sylvain; Marrot, Jérôme; Prim, Damien; Gil, Richard; Planas, José Giner; Viñas, Clara; Thomas, Isabelle; Roblin, Jean-Philippe; Troin, Yves","N-Heterocyclic Pyridylmethylamines: Synthesis, Complexation, Molecular Structure, and Application to Asymmetric Suzuki‒Miyaura and Oxidative Coupling Reactions","Organometallics","2011","30","15","4074","","10.1021/om200375s","","","0.71073","MoKα","","0.0217","0.0212","","","0.0497","0.0499","","","","","","1.114","","","","has coordinates","243621","2020-10-21","18:00:00",""
"4089375","9.5902","0.0005","11.5116","0.0006","14.6184","0.0007","90","","90","","90","","1613.85","0.14","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl2 N2 Pd -","- C15 H18 Cl2 N2 Pd -","- C60 H72 Cl8 N8 Pd4 -","4","1","","Grach, Guillaume; Pieters, Grégory; Dinut, Aurelia; Terrasson, Vincent; Medimagh, Raouf; Bridoux, Alexandre; Razafimahaleo, Vanessa; Gaucher, Anne; Marque, Sylvain; Marrot, Jérôme; Prim, Damien; Gil, Richard; Planas, José Giner; Viñas, Clara; Thomas, Isabelle; Roblin, Jean-Philippe; Troin, Yves","N-Heterocyclic Pyridylmethylamines: Synthesis, Complexation, Molecular Structure, and Application to Asymmetric Suzuki‒Miyaura and Oxidative Coupling Reactions","Organometallics","2011","30","15","4074","","10.1021/om200375s","","","0.71073","MoKα","","0.0277","0.0166","","","0.0482","0.0732","","","","","","1.484","","","","has coordinates","243621","2020-10-21","18:00:00",""
"4089389","10.8838","0.0007","18.2643","0.0012","22.5281","0.0013","90","","90","","90","","4478.2","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H68 Li N3 O3 -","- C50 H68 Li N3 O3 -","- C200 H272 Li4 N12 O12 -","4","1","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.71073","MoKα","","0.1127","0.0574","","","0.0788","0.0967","","","","","","0.963","","","","has coordinates","243627","2020-10-21","18:00:00",""
"4089430","9.9907","0.0003","13.9388","0.0004","32.1296","0.0009","90","","90","","90","","4474.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H64 N2 O2 Zr -","- C51 H64 N2 O2 Zr -","- C204 H256 N8 O8 Zr4 -","4","1","","Despagnet-Ayoub, Emmanuelle; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","Group 4 Transition-Metal Complexes of an Aniline‒Carbene‒Phenol Ligand","Organometallics","2013","32","10","2934","","10.1021/om4001567","","","0.71073","MoKα","","0.0432","0.033","","","0.0385","0.0389","","","","","","1.497","","","","has coordinates,has disorder","243641","2020-10-21","18:00:00",""
"4089479","11.991","0.003","13.327","0.003","14.827","0.003","90","","90","","90","","2369.4","0.9","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 P2 Pt -","- C24 H28 Cl2 P2 Pt -","- C96 H112 Cl8 P8 Pt4 -","4","1","","Ray, Matthew J.; Slawin, Alexandra M. Z.; Bühl, Michael; Kilian, Petr","peri-Substituted Phosphino-Phosphonium Salts: Synthesis and Reactivity","Organometallics","2013","32","12","3481","","10.1021/om400259h","","","0.71075","MoKα","","","0.0289","","","","0.0409","","","","","","1","","","","has coordinates","243654","2020-10-21","18:00:00",""
"4089489","18.949","0.002","13.064","0.0018","27.66","0.004","90","","90","","90","","6847.2","1.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H72 Ag2 F12 N13 O P2 -","- C66 H72 Ag2 F12 N13 O P2 -","- C264 H288 Ag8 F48 N52 O4 P8 -","4","1","","Liu, Qing-Xiang; Yao, Zhao-Quan; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Xiu-Guang","NHC Metal (Silver, Mercury, and Nickel) Complexes Based on Quinoxaline‒Dibenzimidazolium Salts: Synthesis, Structural Studies, and Fluorescent Chemosensors for Cu2+by Charge Transfer","Organometallics","2013","32","12","3493","","10.1021/om400277z","","","0.71073","MoKα","","0.0411","0.0371","","","0.0915","0.0944","","","","","","1.056","","","","has coordinates","243656","2020-10-21","18:00:00",""
"4089516","9.892","0.003","15.484","0.005","17.079","0.006","90","","90","","90","","2616","1.5","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 N4 Zn -","- C28 H38 N4 Zn -","- C112 H152 N16 Zn4 -","4","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Lara-Sánchez, Agust\?ín; Tejeda, Juan; Carrión, Mar\?ía P.; Mart\?ínez-Ferrer, Jaime; Garcés, Andrés; Rodr\?íguez, Ana M.","Efficient Synthesis of an Unprecedented Enantiopure Hybrid Scorpionate/Cyclopentadienyl by Diastereoselective Nucleophilic Addition to a Fulvene","Organometallics","2013","32","12","3437","","10.1021/om4003279","","","0.71073","MoKα","","0.1153","0.0623","","","0.1257","0.1499","","","","","","0.988","","","","has coordinates","243662","2020-10-21","18:00:00",""
"4089555","12.403","0.0013","15.0871","0.0016","18.968","0.002","90","","90","","90","","3549.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H34 Cl N O6 -","- C42 H34 Cl N O6 -","- C168 H136 Cl4 N4 O24 -","4","1","","Mei, Liang-yong; Wei, Yin; Xu, Qin; Shi, Min","Diastereo- and Enantioselective Construction of Oxindole-Fused Spirotetrahydrofuran Scaffolds through Palladium-Catalyzed Asymmetric [3+2] Cycloaddition of Vinyl Cyclopropanes and Isatins","Organometallics","2013","32","12","3544","","10.1021/om400473p","","","0.71073","MoKα","","0.0665","0.0459","","","0.0983","0.1088","","","","","","0.931","","","","has coordinates","243686","2020-10-21","18:00:00",""
"4089622","9.6315","0.0012","12.1481","0.0014","12.322","0.0015","90","","90","","90","","1441.7","0.3","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Mo N O -","- C15 H23 Mo N O -","- C60 H92 Mo4 N4 O4 -","4","1","","Lefèvre, Guillaume P.; Baillie, Rhett A.; Fabulyak, Diana; Legzdins, Peter","Insights into the Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*W(NO)(η3-allyl)(CH2CMe3) Complexes","Organometallics","2013","32","19","5561","","10.1021/om4007938","","","0.71073","MoKα","","0.0274","0.0221","","","0.0498","0.0519","","","","","","1.017","","","","has coordinates,has disorder","243706","2020-10-21","18:00:00",""
"4089626","13.2747","0.0006","14.3889","0.0006","17.016","0.0007","90","","90","","90","","3250.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 Ni3 O4 P2 -","- C34 H40 Ni3 O4 P2 -","- C136 H160 Ni12 O16 P8 -","4","1","","Suseno, Sandy; Horak, Kyle T.; Day, Michael W.; Agapie, Theodor","Trinuclear Nickel Complexes with Metal-Arene Interactions Supported by Tris- and Bis(phosphinoaryl)benzene Frameworks.","Organometallics","2013","32","23","6883","6886","10.1021/om400976x","","","0.71073","MoKα","","0.0464","0.0344","","","0.0615","0.0635","","","","","","1.09","","","","has coordinates","243709","2020-10-21","18:00:00",""
"4089668","16.9447","0.0008","19.0668","0.001","29.553","0.0017","90","","90","","90","","9548","0.9","373","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C107 H118 Cl4 N2 O6 Zr2 -","- C107 H118 Cl4 N2 O6 Zr2 -","- C428 H472 Cl16 N8 O24 Zr8 -","4","1","","Radlauer, Madalyn R.; Agapie, Theodor","Bimetallic Zirconium Amine Bis(phenolate) Polymerization Catalysts: Enhanced Activity and Tacticity Control for Polyolefin Synthesis.","Organometallics","2014","33","13","3247","3250","10.1021/om500608j","","","0.71073","MoKα","","0.1326","0.0757","","","0.1896","0.2082","","","","","","1.044","","","","has coordinates,has disorder","243717","2020-10-21","18:00:00",""
"4089718","11.2943","0.0002","16.6702","0.0003","23.2637","0.0004","90","","90","","90","","4380.05","0.13","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","[Sn{(C(SiMe3)2SiMe2CH2)2}{O2C6H3(tBu)2}]","","","- C34 H72 O2 Si6 Sn -","- C34 H72 O2 Si6 Sn -","- C136 H288 O8 Si24 Sn4 -","4","1","","Asadi, Ashrafolmolouk; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Meehan, Margaret M.; Smith, J. David","Reactions of a Highly Crowded Cyclic Stannylene with Iodoalkanes, Enones, and Dienes. Inhibition of Nucleophilic Substitution at Tin(IV) Centers","Organometallics","2002","21","12","2430","","10.1021/om020106y","","x-ray","0.7107","MoKα","","0.0394","0.0331","","","0.069","0.0721","","","","","","1.029","","","","has coordinates,has disorder","247258","2020-10-21","18:00:00",""
"4100018","6.0537","0.0004","17.481","0.0012","19.469","0.0013","90","","90","","90","","2060.3","0.2","293","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Xia, Wujiong; Yang, Chao; Patrick, Brian O.; Scheffer, John R.; Scott, Carl","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043254j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100038","10.033","0.0002","11.953","0.0005","16.295","0.0007","90","","90","","90","","1954.2","0.1","273.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 O6 P -","- C20 H23 O6 P -","- C80 H92 O24 P4 -","4","1","","Yamashita, Makoto; Yamamoto, Yohsuke; Akiba, Kin-ya; Hashizume, Daisuke; Iwasaki, Fujiko; Takagi, Nozomi; Nagase, Shigeru","Syntheses and Structures of Hypervalent Pentacoordinate Carbon and Boron Compounds Bearing an Anthracene Skeleton ‒ Elucidation of Hypervalent Interaction Based on X-ray Analysis and DFT Calculation","Journal of the American Chemical Society","2005","127","12","4354","4371","10.1021/ja0438011","","","","","","","","","","","","","","","","","","","","","has coordinates","218965","2020-10-21","18:00:00",""
"4100087","29.486","0.004","29.833","0.004","37.579","0.005","90","","90","","90","","33057","7","153","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H124 Cl Co N13 O31 P -","- C64 H90 Cl Co N13 O31 P -","- C1024 H1440 Cl16 Co16 N208 O496 P16 -","16","4","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja048573p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100088","15.806","0.003","22.471","0.005","25.338","0.005","90","","90","","90","","8999","3","163","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H127 Co N13 O32 P -","- C64 H107 Co N13 O31.9995 P -","- C256 H428 Co4 N52 O127.998 P4 -","4","1","","","Properties and Reactivity of Chlorovinylcobalamin and Vinylcobalamin and Their Implications for Vitamin B~12~-Catalyzed Reductive Dechlorination of Chlorinated Alkenes","Journal of the American Chemical Society","2005","","","","","10.1021/ja048573p","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:27",""
"4100095","7.0339","0.0008","9.7592","0.0011","16.0454","0.0019","90","","90","","90","","1101.4","0.2","446","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044542i","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100099","8.3728","0.0013","10.2615","0.0016","18.297","0.003","90","","90","","90","","1572","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O3 S -","- C15 H19 N O3 S -","- C60 H76 N4 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044999s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100106","15.141","0.002","16.7","0.004","6.269","0.001","90","","90","","90","","1585.2","0.5","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl N2 O2 -","- C17 H17 Cl N2 O2 -","- C68 H68 Cl4 N8 O8 -","4","1","","Hideko Koshima","","Journal of the American Chemical Society","2005","","","","","10.1021/ja044472f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100112","6.6718","0.0014","12.839","0.003","26.802","0.006","90","","90","","90","","2295.8","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N O3 -","- C22 H35 N O3 -","- C88 H140 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051002s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100113","9.639","0.0009","23.908","0.002","38.807","0.004","90","","90","","90","","8943.3","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H104 F6 N10 O15 -","- C80 H104 F6 N10 O15 -","- C320 H416 F24 N40 O60 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051002s","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100138","9.1302","0.0009","15.0703","0.0013","18.1518","0.0016","90","","90","","90","","2497.6","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H27 I5 Mo P3 -","- C9 H27 I5 Mo P3 -","- C36 H108 I20 Mo4 P12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja043078e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100169","12.57","0.003","17.252","0.004","25.295","0.006","90","","90","","90","","5486","2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Cl N2 O2 Ru S -","- C30 H31 Cl N2 O2 Ru S -","- C240 H248 Cl8 N16 O16 Ru8 S8 -","8","2","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051486s","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100179","11.0401","0.001","15.2369","0.0019","25","0.002","90","","90","","90","","4205.5","0.8","150","2","150","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C40 H35 B Cl4 F4 Mn N O4 P2 -","- C40 H35 B Cl4 F4 Mn N O4 P2 -","- C160 H140 B4 Cl16 F16 Mn4 N4 O16 P8 -","4","1","","Marta E. G. Mosquera","Crystal structure of compound 7","Journal of the American Chemical Society","2005","","","","","10.1021/ja042879e","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100201","5.574","0.003","7.673","0.004","27.77","0.013","90","","90","","90","","1187.7","0.9","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Br N O3 -","- C11 H12 Br N O3 -","- C44 H48 Br4 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052935r","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100233","10.0876","0.0007","15.55","0.001","30.996","0.002","90","","90","","90","","4862.2","0.6","158.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H30 Cl2 N4 O5 P Re -","- C48 H51 Cl6 N3 O4 P Re -","- C192 H204 Cl24 N12 O16 P4 Re4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100236","11.2661","0.0002","16.8443","0.0002","30.1188","0.0005","90","","90","","90","","5715.63","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C55 H87 O10 P -","- C55 H87 O10 P -","- C220 H348 O40 P4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100264","10.5395","0.0018","14.49","0.003","19.322","0.004","90","","90","","90","","2950.7","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 B10 Cl Li O2 Zr -","- C20 H40 B10 Cl Li O2 Zr -","- C80 H160 B40 Cl4 Li4 O8 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100268","11.009","0.002","11.266","0.002","22.931","0.005","90","","90","","90","","2844.2","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 B10 N2 Zr -","- C26 H30 B10 N2 Zr -","- C104 H120 B40 N8 Zr4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100273","8.6513","0.0014","9.3877","0.0015","19.313","0.003","90","","90","","90","","1568.5","0.4","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O2 -","- C17 H28 O2 -","- C68 H112 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100326","9.9685","0.0008","12.0502","0.0008","15.0987","0.0011","90","","90","","90","","1813.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 Br N2 Si -","- C16 H25 Br N2 Si -","- C64 H100 Br4 N8 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100329","10.1224","0.0011","15.9526","0.0018","16.8701","0.0018","90","","90","","90","","2724.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H41 Cl3 N4 Si2 -","- C21 H41 Cl3 N4 Si2 -","- C84 H164 Cl12 N16 Si8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100334","6.5428","0.0003","14.7024","0.0008","31.477","0.002","90","","90","","90","","3027.9","0.3","143.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Br Cl2 N4 O10 -","- C27 H25 Br Cl2 N4 O10 -","- C108 H100 Br4 Cl8 N16 O40 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100344","12.2613","0.0005","12.4185","0.0005","23.9133","0.0011","90","","90","","90","","3641.2","0.3","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 Cl N4 O2 Pd -","- C41 H45 Cl N4 O2 Pd -","- C164 H180 Cl4 N16 O8 Pd4 -","4","1","","Kazuhiro Takenaka","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100369","8.1162","0.0002","12.8118","0.0005","24.325","0.0007","90","","90","","90","","2529.39","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O6 S -","- C28 H29 N O6 S -","- C112 H116 N4 O24 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100375","10.603","0.002","19.515","0.004","27.927","0.006","90","","90","","90","","5779","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H81 Cl3 N8 O11 -","- C53 H81 Cl3 N8 O11 -","- C212 H324 Cl12 N32 O44 -","4","1","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100378","10.3233","0.0006","11.2864","0.0006","31.2034","0.0018","90","","90","","90","","3635.6","0.4","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 Co2 N O6 P S -","- C34 H40 Co2 N O6 P S -","- C136 H160 Co8 N4 O24 P4 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100401","6.8584","0.0003","13.6465","0.0008","21.3782","0.0014","90","","90","","90","","2000.9","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 I O4 -","- C20 H29 I O4 -","- C80 H116 I4 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100403","6.094","0.006","15.229","0.014","20.355","0.018","90","","90","","90","","1889","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 I O4 -","- C18 H27 I O4 -","- C72 H108 I4 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100405","10.6154","0.0008","15.8025","0.0012","25.0896","0.0019","90","","90","","90","","4208.8","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H45 F12 Ir O2 P2 Sb2 -","- C37 H45 F12 Ir O2 P2 Sb2 -","- C148 H180 F48 Ir4 O8 P8 Sb8 -","4","1","","Balana,A.I.; Carmona,D.; Lahoz,F.J.; Lamata,M.P.; Merino,P.; Oro,L.A.; Rodriguez,R.; Tejero,T.; Viguri,F.","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100431","11.2325","0.0006","23.7339","0.0013","28.7821","0.0016","90","","90","","90","","7673","0.7","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C120 H46 Ce2 S6 Si2 -","- C120 H46 Ce2 S6 Si2 -","- C480 H184 Ce8 S24 Si8 -","4","1","","Akasaka, Takeshi","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100438","5.2384","0.001","13.518","0.003","13.72","0.003","90","","90","","90","","971.5","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100439","5.0429","0.0007","9.789","0.0013","33.327","0.005","90","","90","","90","","1645.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O5 -","- C18 H15 Br O5 -","- C72 H60 Br4 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja054503m","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100490","9.8843","0.0003","12.807","0.0004","16.246","0.0005","90","","90","","90","","2056.55","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br2 N3 O3 -","- C20 H17 Br2 N3 O3 -","- C80 H68 Br8 N12 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja051650b","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100517","8.8381","0.001","18.5394","0.0019","26.865","0.003","90","","90","","90","","4401.9","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 N2 O7 S Si -","- C48 H54 N2 O7 S Si -","- C192 H216 N8 O28 S4 Si4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja052151d","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100537","8.6821","0.0008","10.7405","0.001","24.115","0.002","90","","90","","90","","2248.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N2 O6 S -","- C19 H30 N2 O6 S -","- C76 H120 N8 O24 S4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja0529337","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100544","5.6585","0.0006","7.9422","0.0008","26.129","0.003","90","","90","","90","","1174.3","0.2","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C48 H64 N8 O12 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100552","9.702","0.006","22.373","0.013","22.947","0.013","90","","90","","90","","4981","5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H55 F O P3 Rh -","- C58 H55 F O P3 Rh -","- C232 H220 F4 O4 P12 Rh4 -","4","1","","Barybin, Mikhail V.; Chisholm, Malcolm H.; Dalal, Naresh S.; Holovics, Thomas C.; Patmore Nathan J.; Robinson, Randall E.; Zipse David J.","Long-Range Electronic Coupling of MM Quadruple Bonds (M = Mo or W) Via a 2,6-azulenedicarboxylate Bridge","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100557","13.0577","0.0012","13.3559","0.0014","22.142","0.002","90","","90","","90","","3861.5","0.6","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 F12 I4 N Na O6 -","- C30 H24 F12 I4 N Na O6 -","- C120 H96 F48 I16 N4 Na4 O24 -","4","1","","Andrea Mele; Pierangelo Metrangolo; Hannes Neukirch; Tullio Pilati; Giuseppe Resnati","A Halogen Bonding-Based Heteroditopic Receptor for Alkali Metal Halides","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100562","6.7184","0.0013","17.702","0.004","22.591","0.005","90","","90","","90","","2686.8","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Br Cl N O3 S2 -","- C27 H29 Br Cl N O3 S2 -","- C108 H116 Br4 Cl4 N4 O12 S8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100578","9.166","0.002","10.794","0.003","17.987","0.004","90","","90","","90","","1779.6","0.7","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 I N O -","- C17 H22 I N O -","- C68 H88 I4 N4 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100600","9.93","0.0003","7.879","0.0001","25.78","0.0007","90","","90","","90","","2016.99","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O5 -","- C21 H26 N2 O5 -","- C84 H104 N8 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042216x","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:27",""
"4100614","6.314","0.003","7.148","0.003","16.263","0.006","90","","90","","90","","734","0.5","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 N3 O2 -","- C5 H11 N3 O2 -","- C20 H44 N12 O8 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja042258l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100624","5.2632","0.0002","12.3766","0.0005","13.1225","0.0006","90","","90","","90","","854.81","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 H7 N9 O4 -","- C8 H28 N36 O16 -","- C8 H28 N36 O16 -","","","","Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand","1,5-Diamino-4-methyltetrazolium dinitramide","Journal of the American Chemical Society","2005","","","","","10.1021/ja042596m","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100718","10.3161","0.0004","14.4678","0.0006","29.963","0.0013","90","","90","","90","","4472","0.3","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[PhBPiPr3]CoSSiPh3","","","- C45 H68 B Co P3 S Si -","- C45 H68 B Co P3 S Si -","- C180 H272 B4 Co4 P12 S4 Si4 -","4","1","","Emmanuel Terazzi; Stephane Torelli; Jean-Pierre Rivera; Jean-Marc Benech; Gerald Bernardinelli; Cyril Bourgogne; Bertrand Donnio; Daniel Guillon; Daniel Imbert; Jean-Claude Bunzli; Andre Pinto; Damien Jeannerat; Claude Piguet","Molecular Control of Macroscopic Cubic, Columnar and Lamellar Organizations in Luminescent Lanthanide-containing Thermotropic Liquid Crystals.","Journal of the American Chemical Society","2005","","","","","10.1021/ja0446101","","","","","","","","","","","","","","","","","","","","","has coordinates","176914","2020-10-21","18:00:00",""
"4100762","8.7338","0.0012","12.7194","0.0017","18.17","0.002","90","","90","","90","","2018.5","0.5","218","2","218","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 F5 I Ir P -","- C16 H24 F5 I Ir P -","- C64 H96 F20 I4 Ir4 P4 -","4","1","","Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold","Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene Transition Metal Complex: Ir(η5-C5Me5)(PMe3)(2,3-η2-CF2CCCF2)","Journal of the American Chemical Society","2004","126","","2308","2309","10.1021/ja031598o","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100779","8.875","0.002","11.351","0.002","33.375","0.007","90","","90","","90","","3362.2","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 Cl F6 N4 P Ru -","- C31 H46 Cl F6 N4 P Ru -","- C124 H184 Cl4 F24 N16 P4 Ru4 -","4","1","","Chun-Yuen Wong; Chi-Ming Che; Michael C. W. Chan; King-Hung Leung; David Lee Phillips; Nianyong Zhu","Probing the Ruthenium-Cumulene Bonding Interaction: Synthesis and Spectroscopic Studies of Vinylidene- and Allenylidene-Ruthenium Complexes Supported by Tetradentate Macrocyclic Tertiary Amine and Comparisons with Diphosphine Analogues of Ruthenium and Osmium","Journal of the American Chemical Society","2004","126","","2501","2514","10.1021/ja0380648","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277856","2022-09-14","23:31:28",""
"4100787","10.134","0.001","10.2","0.001","19.395","0.001","90","","90","","90","","2004.8","0.3","120","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C6 H27 F6 N5 O5 P2 Ru -","- C6 H27 F6 N5 O5 P2 Ru -","- C24 H108 F24 N20 O20 P8 Ru4 -","4","1","","Rose Maria Carlos; Daniel Rodrigues Cardoso; Eduardo Ernesto Castellano; Renata Zachi Osti; Ademir João Camargo; Luis Guilherme Macedo; Douglas Wagner Franco","Reactivity of Radicals Generated on Irradiation of trans-[Ru(NH3)4(NO2)P(OEt)3](PF6)","Journal of the American Chemical Society","2004","126","","2546","2555","10.1021/ja0373263","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100856","7.1861","0.0008","10.2628","0.0012","15.5477","0.0017","90","","90","","90","","1146.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C48 H60 N12 O4 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100910","6.7922","0.0019","11.267","0.003","21.832","0.006","90","","90","","90","","1670.8","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl N2 O4 -","- C19 H15 Cl N2 O4 -","- C76 H60 Cl4 N8 O16 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100911","12.3651","0.0013","18.94","0.002","27.123","0.003","90","","90","","90","","6352","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-Aib-betaPhe-Leu-Phe-Val-OMe","","","- C60 H88 N8 O11 -","- C60 H88 N8 O11 -","- C240 H352 N32 O44 -","4","1","","Kimihisa Yamamoto","Supplementary Information of X-ray Crystal Analysis of HAM4","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4100947","6.76","0.004","16.787","0.011","32.061","0.016","90","","90","","90","","3638","4","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 B Fe N O3.5 Si -","- C14 H26 B Fe N O3.5 Si -","- C112 H208 B8 Fe8 N8 O28 Si8 -","8","2","","Ilia A. Guzei","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4100973","8.3947","0.0011","13.0106","0.0016","16.582","0.002","90","","90","","90","","1811.1","0.4","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 F6 N2 O4 S2 -","- C11 H20 F6 N2 O4 S2 -","- C44 H80 F24 N8 O16 S8 -","4","1","","Choudhury, Angshuman R.; Winterton, Neil; Steiner, Alexander; Cooper, Andrew I.; Johnson, Kathleen A.","In situ crystallization of low-melting ionic liquids.","Journal of the American Chemical Society","2005","127","48","16792","16793","10.1021/ja055956u","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4100988","14.244","0.007","19.825","0.01","19.945","0.01","90","","90","","90","","5632","5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C248 H260 Cl8 Fe8 N8 Ni4 O32 P12 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100989","14.8165","0.0012","19.7066","0.0015","19.9451","0.0015","90","","90","","90","","5823.6","0.8","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C64 H69 Cl2 Fe2 N2 Ni O8 P3 -","- C64 H64 Cl2 Fe2 N2 Ni O8 P3 -","- C256 H256 Cl8 Fe8 N8 Ni4 O32 P12 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4100990","8.9815","0.0006","15.1441","0.0011","19.2553","0.0014","90","","90","","90","","2619","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 Cl N2 P Pd -","- C26 H40 Cl N2 P Pd -","- C104 H160 Cl4 N8 P4 Pd4 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100991","11.44","0.002","16.326","0.003","41.174","0.008","90","","90","","90","","7690","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H116 Cl2 N4 P2 Pd2 -","- C88 H116 Cl2 N4 P2 Pd2 -","- C352 H464 Cl8 N16 P8 Pd8 -","4","1","","Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4100995","5.94","0.01","10.564","0.004","25.499","0.003","90","","90","","90","","1599","3","97.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 I O5 -","- C14 H19 I O5 -","- C56 H76 I4 O20 -","4","1","","","","Journal of the American Chemical Society","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101006","16.0031","0.0014","18.6541","0.0017","21.0993","0.0019","90","","90","","90","","6298.6","1","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H91 Fe2 K2 N6 O -","- C62 H91 Fe2 K2 N6 O -","- C248 H364 Fe8 K8 N24 O4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja052707x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101015","11.318","0.005","12.903","0.006","19.536","0.008","90","","90","","90","","2853","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 I N O5 Si -","- C25 H42 I N O5 Si -","- C100 H168 I4 N4 O20 Si4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0547477","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101041","11.2709","0.0007","13.6042","0.0008","34.653","0.002","90","","90","","90","","5313.4","0.6","130","2","133","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H80 B Cu Mo N9 O3 S -","- C45 H80 B Cu Mo N9 O3 S -","- C180 H320 B4 Cu4 Mo4 N36 O12 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056500f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101066","11.094","0.002","14.299","0.003","18.751","0.007","90","","90","","90","","2974.5","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 Li N3 Si -","- C31 H46 Li N3 Si -","- C124 H184 Li4 N12 Si4 -","4","1","","Carsten Strohmann, Christian Daeschlein, Dominik Auer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057348k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101074","14.53","0.003","16.999","0.003","18.44","0.003","90","","90","","90","","4554.4","1.3","93.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Cl2 Mn4 N12 O14 -","- C40 H36 Cl2 Mn4 N12 O14 -","- C160 H144 Cl8 Mn16 N48 O56 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0574062","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101101","7.8962","0.0015","12.311","0.002","30.247","0.006","90","","90","","90","","2940.2","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C13.3333 H21.3333 O2.66667 -","- C120 H192 O24 -","9","2.25","","Hayashi, Sayuri; Hirano, Koji; Yorimitsu, Hideki; Oshima, Koichiro","Palladium-Catalyzed Stereo- and Regiospecific Allylation of Aryl Halides with Homoallyl Alcohols via Retro-Allylation: Selective Generation and Use of σ-Allylpalladium","Journal of the American Chemical Society","2006","128","7","2210","2211","10.1021/ja058055u","","","","","","","","","","","","","","","","","","","","","has coordinates","133715","2020-10-21","18:00:00",""
"4101103","12.8521","0.0002","13.4583","0.0002","13.5177","0.0002","90","","90","","90","","2338.12","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 F3 N O2 -","- C27 H26 F3 N O2 -","- C108 H104 F12 N4 O8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058287t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101104","7.4972","0.0001","7.9747","0.0001","18.6037","0.0007","90","","90","","90","","1112.28","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Cl N -","- C11 H16 Cl N -","- C44 H64 Cl4 N4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058287t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101123","10.0583","0.0003","5.8983","0.0002","15.2143","0.0004","90","","90","","90","","902.62","0.05","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H4 O4 -","- C12 H4 O4 -","- C48 H16 O16 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0602647","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101126","10.024","0.002","12.426","0.003","33.403","0.007","90","","90","","90","","4160.7","1.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O4 -","- C23 H24 Br N O4 -","- C184 H192 Br8 N8 O32 -","8","2","","Cara L. Nygren; Philip Coppens","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057768+","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101165","12.717","0.002","12.918","0.003","31.47","0.006","90","","90","","90","","5170.1","1.8","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C59 H48 Cl6 I N -","- C59 H48 Cl6 I N -","- C236 H192 Cl24 I4 N4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058066n","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101166","9.8937","0.0013","10.0629","0.0014","13.0908","0.0018","90","","90","","90","","1303.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br O3 -","- C14 H11 Br O3 -","- C56 H44 Br4 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058337u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101167","6.3868","0.0001","11.2128","0.0002","13.866","0.0002","90","","90","","90","","993","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058337u","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101170","9.905","0.002","11.443","0.002","18.969","0.004","90","","90","","90","","2150","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O5 S -","- C22 H25 N O5 S -","- C88 H100 N4 O20 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101171","11.436","0.002","11.652","0.002","19.448","0.004","90","","90","","90","","2591.5","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 S -","- C25 H31 N O5 S -","- C100 H124 N4 O20 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101174","8.264","0.0017","14.793","0.003","15.532","0.003","90","","90","","90","","1898.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O6 S -","- C18 H22 N2 O6 S -","- C72 H88 N8 O24 S4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101175","6.5673","0.0013","10.51","0.002","57.502","0.012","90","","90","","90","","3968.9","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O6 S -","- C16 H26 N2 O6 S -","- C128 H208 N16 O48 S8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja0571646","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101183","12.7851","0.0011","12.9026","0.001","19.7686","0.0017","90","","90","","90","","3261","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 O5 P -","- C38 H41 O5 P -","- C152 H164 O20 P4 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056018x","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"4101184","12.9631","0.0015","14.1557","0.0016","19.252","0.002","90","","90","","90","","3532.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl N O3 -","- C19 H20 Cl N O3 -","- C152 H160 Cl8 N8 O24 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja056018x","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101193","6.3692","0.0015","11.781","0.003","23.498","0.005","90","","90","","90","","1763.1","0.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl2 N O3 -","- C17 H17 Cl2 N O3 -","- C68 H68 Cl8 N4 O12 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja060312n","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101202","8.9105","0.0005","14.2032","0.0007","16.0373","0.0008","90","","90","","90","","2029.64","0.18","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 I Ir N2 -","- C21 H26 I Ir N2 -","- C84 H104 I4 Ir4 N8 -","4","1","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058253l","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101204","11.0305","0.0004","13.8404","0.0006","32.098","0.002","90","","90","","90","","4900.29","","","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H67 N3 O7 S Si -","- C48 H67 N3 O7 S Si -","- C192 H268 N12 O28 S4 Si4 -","4","1","","B.Junker; M.Reggelin; D.Schollmeyer","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057012a","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101215","13.2878","0.0005","14.6364","0.0005","34.7981","0.0012","90","","90","","90","","6767.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 Cl N2 Pd -","- C36 H47 Cl N2 Pd -","- C288 H376 Cl8 N16 Pd8 -","8","2","","","","Journal of the American Chemical Society","2006","","","","","10.1021/ja057704z","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4101235","7.0168","0.0002","8.4454","0.0002","24.1473","0.0006","90","","90","","90","","1430.96","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O4 -","- C15 H15 Cl O4 -","- C60 H60 Cl4 O16 -","4","1","","Overgaard, Jacob","","Journal of the American Chemical Society","2006","","","","","10.1021/ja058490o","","","","","","","","","","","","","","","","","","","","","has coordinates","277856","2022-09-14","23:31:28",""
"4101249","12.2516","0.0002","12.8193","0.0002","24.8929","0.0003","90","","90","","90","","3909.6","0.1","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","boecp1","","","- C42 H58 O12 -","- C42 H58 O12 -","- C168 H232 O48 -","4","1","","Boeckman, Jr, Robert K; Shao, Pengcheng; Wrobleski, Stephen T; Boehmler, Debra J; Heintzelman, Geoffrey R; Barbosa, Antonio J","Toward the development of a general chiral auxiliary. A total synthesis of (+)-tetronolide via a tandem ketene-trapping [4 + 2] cycloaddition strategy.","Journal of the American Chemical Society","2006","128","32","10572","10588","10.1021/ja0581346","","","0.71073","MoKα","","0.0348","0.0325","","","0.0828","0.0845","","","","","","1.061","","","","has coordinates,has disorder","178758","2020-10-21","18:00:00",""
"4101277","10.191","0.002","13.011","0.003","15.311","0.003","90","","90","","90","","2030.2","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O3 S -","- C22 H26 N2 O3 S -","- C88 H104 N8 O12 S4 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0457","0.0405","","","0.1001","0.1033","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101278","11.485","0.002","13.835","0.003","19.763","0.004","90","","90","","90","","3140.2","1.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 N2 O4 S Si -","- C31 H46 N2 O4 S Si -","- C124 H184 N8 O16 S4 Si4 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.1349","0.116","","","0.3026","0.3222","","","","","","1.217","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101279","10.1539","0.0015","11.5677","0.0017","17.553","0.003","90","","90","","90","","2061.8","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C92 H112 N8 O16 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0603","0.0538","","","0.1381","0.1436","","","","","","0.926","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101284","11.298","0.002","12.007","0.002","17.511","0.004","90","","90","","90","","2375.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Br2 N2 O5 -","- C23 H26 Br2 N2 O5 -","- C92 H104 Br8 N8 O20 -","4","1","","Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L","Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.","Journal of the American Chemical Society","2006","128","32","10596","10612","10.1021/ja061256t","","","0.71073","MoKα","","0.0464","0.0361","","","0.0967","0.1041","","","","","","0.915","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101313","7.4815","0.0006","7.8984","0.0005","9.0478","0.0007","90","","90","","90","","534.65","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- B2 O7 Se2 -","- B2 O7 Se2 -","- B8 O28 Se8 -","4","1","","Kong, Fang; Huang, Shu-Ping; Sun, Zhong-Ming; Mao, Jiang-Gao; Cheng, Wen-Dan","Se2(B2O7): a new type of second-order NLO material.","Journal of the American Chemical Society","2006","128","24","7750","7751","10.1021/ja0620991","","","0.71073","MoKα","","0.0513","0.0416","","","0.0708","0.0741","","","","","","1.158","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101351","5.936","0.0002","10.2325","0.0004","22.8396","0.001","90","","90","","90","","1387.28","0.09","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O2 S -","- C17 H14 O2 S -","- C68 H56 O8 S4 -","4","1","","Wang, Wei; Li, Hao; Wang, Jian; Zu, Liansuo","Enantioselective organocatalytic tandem Michael-Aldol reactions: one-pot synthesis of chiral thiochromenes.","Journal of the American Chemical Society","2006","128","32","10354","10355","10.1021/ja063328m","","","0.71073","MoKα","","0.0464","0.0403","","","0.1116","0.1221","","","","","","1.085","","","","has coordinates","178759","2020-10-21","18:00:00",""
"4101378","8.268","0.0005","9.505","0.0003","20.171","0.001","90","","90","","90","","1585.19","0.13","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N O2 -","- C17 H18 Br N O2 -","- C68 H72 Br4 N4 O8 -","4","1","","Akiyama, Takahiko; Morita, Hisashi; Fuchibe, Kohei","Chiral Brønsted acid-catalyzed inverse electron-demand aza Diels-Alder reaction.","Journal of the American Chemical Society","2006","128","40","13070","13071","10.1021/ja064676r","","","0.71073","MoKα","","0.047","0.0414","","","0.1227","0.1298","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101379","8.208","0.004","9.538","0.01","18.83","0.06","90","","90","","90","","1474","5","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 -","- C17 H16 Br N O2 -","- C68 H64 Br4 N4 O8 -","4","1","","Akiyama, Takahiko; Morita, Hisashi; Fuchibe, Kohei","Chiral Brønsted acid-catalyzed inverse electron-demand aza Diels-Alder reaction.","Journal of the American Chemical Society","2006","128","40","13070","13071","10.1021/ja064676r","","","0.7107","MoKα","","","0.0699","","","","0.1042","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101386","11.8569","0.0007","19.6421","0.0012","27.9528","0.0018","90","","90","","90","","6510.1","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H34 N3 O3 P -","- C37 H34 N3 O3 P -","- C296 H272 N24 O24 P8 -","8","2","","Liu, Yan; Sandoval, Christian A; Yamaguchi, Yoshiki; Zhang, Xue; Wang, Zheng; Kato, Koichi; Ding, Kuiling","Hydrogen bonding makes a difference in the rhodium-catalyzed enantioselective hydrogenation using monodentate phosphoramidites.","Journal of the American Chemical Society","2006","128","44","14212","14213","10.1021/ja063350f","","","0.71073","MoKα","","0.156","0.0535","","","0.0979","0.1222","","","","","","0.767","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101405","7.8885","0.0014","23.735","0.004","27.98","0.005","90","","90","","90","","5238.9","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-N-1-(pentafluorophenyl)ethylammonium (+)-2,3-dibenzoyl-D-tartrate","","- C26 H20 F5 N O8 -","- C26 H20 F5 N O8 -","- C208 H160 F40 N8 O64 -","8","2","","Gorske, Benjamin C; Blackwell, Helen E","Tuning peptoid secondary structure with pentafluoroaromatic functionality: a new design paradigm for the construction of discretely folded peptoid structures.","Journal of the American Chemical Society","2006","128","44","14378","14387","10.1021/ja065248o","","","0.71073","MoKα","","0.1265","0.0729","","","0.174","0.2022","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101421","8.4633","0.001","17.444","0.002","17.727","0.002","90","","90","","90","","2617","0.5","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-dimesitylfluoroborate- 8-trimethylammoniummethane-naphthalenediyl","","","- C32 H39 B F N -","- C32 H39 B F N -","- C128 H156 B4 F4 N4 -","4","1","","Chiu, Ching-Wen; Gabbaï, François P","Fluoride ion capture from water with a cationic borane.","Journal of the American Chemical Society","2006","128","44","14248","14249","10.1021/ja0658463","","","0.71073","MoKα","","0.1049","0.0648","","","0.119","0.1292","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101426","14.9319","0.0003","16.5595","0.0003","27.0293","0.0005","90","","90","","90","","6683.4","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H56 Au2 F6 N2 O7 P2 -","- C66 H56 Au2 F6 N2 O7 P2 -","- C264 H224 Au8 F24 N8 O28 P8 -","4","1","","Wheaton, Craig A; Eisler, Dana J; Jennings, Michael C; Puddephatt, Richard J","Self-assembly of coordination polymers: evidence for dynamic exchange between oligomers in solution and the isolation of a homochiral decagold(I) oligomer.","Journal of the American Chemical Society","2006","128","48","15370","15371","10.1021/ja066450u","","","0.71073","MoKα","","0.0922","0.0719","","","0.1748","0.1867","","","","","","1.029","","","","has coordinates,has disorder","178760","2020-10-21","18:00:00",""
"4101428","5.8906","0.001","12.736","0.002","19.54","0.004","90","","90","","90","","1466","0.4","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N O3 -","- C15 H18 Br N O3 -","- C60 H72 Br4 N4 O12 -","4","1","","Mattson, Anita E; Zuhl, Andrea M; Reynolds, Troy E; Scheidt, Karl A","Direct nucleophilic acylation of nitroalkenes promoted by a fluoride anion/thiourea combination.","Journal of the American Chemical Society","2006","128","15","4932","4933","10.1021/ja056565i","","","0.71073","MoKα","","0.0522","0.035","","","0.0767","0.0823","","","","","","0.965","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101443","12.6576","0.0009","14.0938","0.001","26.0706","0.0018","90","","90","","90","","4650.8","0.6","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H78 O6 Si2 -","- C43 H78 O6 Si2 -","- C172 H312 O24 Si8 -","4","1","","Smith, 3rd, Amos B; Mesaros, Eugen F; Meyer, Emmanuel A","Evolution of a total synthesis of (-)-kendomycin exploiting a Petasis-Ferrier rearrangement/ring-closing olefin metathesis strategy.","Journal of the American Chemical Society","2006","128","15","5292","5299","10.1021/ja060369+","","","0.71069","MoKα","","0.0477","0.0415","","","0.088","0.092","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101444","8.1245","0.0009","18.086","0.002","24.834","0.003","90","","90","","90","","3649","0.7","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H58 O6 Si -","- C36 H58 O6 Si -","- C144 H232 O24 Si4 -","4","1","","Smith, 3rd, Amos B; Mesaros, Eugen F; Meyer, Emmanuel A","Evolution of a total synthesis of (-)-kendomycin exploiting a Petasis-Ferrier rearrangement/ring-closing olefin metathesis strategy.","Journal of the American Chemical Society","2006","128","15","5292","5299","10.1021/ja060369+","","","0.71069","MoKα","","0.0987","0.0641","","","0.1495","0.1728","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101489","9.991","0.002","11.55","0.003","16.844","0.004","90","","90","","90","","1943.7","0.8","110","2","110","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 F6 N2 Ni O2 Rh S3 -","- C12 H20 F6 N2 Ni O2 Rh S3 -","- C48 H80 F24 N8 Ni4 O8 Rh4 S12 -","4","1","","Green, Kayla N; Jeffery, Stephen P; Reibenspies, Joseph H; Darensbourg, Marcetta Y","A nickel tripeptide as a metallodithiolate ligand anchor for resin-bound organometallics.","Journal of the American Chemical Society","2006","128","19","6493","6498","10.1021/ja060876r","","","0.71073","MoKα","","0.0233","0.023","","","0.0546","0.0548","","","","","","1.068","","","","has coordinates","178760","2020-10-21","18:00:00",""
"4101500","5.9181","0.0012","7.2067","0.0014","28.153","0.006","90","","90","","90","","1200.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Cl N2 O4 -","- C10 H11 Cl N2 O4 -","- C40 H44 Cl4 N8 O16 -","4","1","","Lu, Shao-Feng; Du, Da-Ming; Xu, Jiaxi; Zhang, Shi-Wei","Asymmetric Michael addition of nitroalkanes to nitroalkenes catalyzed by C2-symmetric tridentate bis(oxazoline) and bis(thiazoline) zinc complexes.","Journal of the American Chemical Society","2006","128","23","7418","7419","10.1021/ja0604008","","","0.71073","MoKα","","0.0718","0.0314","","","0.0467","0.0503","","","","","","0.808","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101506","8.878","0.007","12.732","0.004","25.155","0.0014","90","","90","","90","","2843","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N2 O5 -","- C31 H33 N2 O5 -","- C124 H132 N8 O20 -","4","1","","Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M","Enantioselective total synthesis of (+)- and (-)-nigellamine A2.","Journal of the American Chemical Society","2006","128","23","7428","7429","10.1021/ja061559n","","","0.71069","MoKα","","0.1446","0.0716","","","0.1533","0.1883","","","","","","0.98","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101586","11.3334","0.0002","14.8825","0.0003","15.6938","0.0004","90","","90","","90","","2647.06","0.1","298","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GRF002","GRF002","","- C24 H44 O P2 Pd -","- C24 H44 O P2 Pd -","- C96 H176 O4 P8 Pd4 -","4","1","","Fulmer, Gregory R.; Muller, Richard P.; Kemp, Richard A.; Goldberg, Karen I.","Hydrogenolysis of Palladium(II) Hydroxide and Methoxide Pincer Complexes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1346","","10.1021/ja807936q","","","0.71073","MoKα","","0.0805","0.0391","","","0.0889","0.1082","","","","","","1.036","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101588","9.9429","0.0001","14.7868","0.0002","18.02","0.0003","90","","90","","90","","2649.43","0.06","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GRF001","GRF001","","- C25 H46 O P2 Pd -","- C25 H46 O P2 Pd -","- C100 H184 O4 P8 Pd4 -","4","1","","Fulmer, Gregory R.; Muller, Richard P.; Kemp, Richard A.; Goldberg, Karen I.","Hydrogenolysis of Palladium(II) Hydroxide and Methoxide Pincer Complexes","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1346","","10.1021/ja807936q","","","0.71073","MoKα","","0.0582","0.0441","","","0.1076","0.1163","","","","","","0.996","","","","has coordinates","178761","2020-10-21","18:00:00",""
"4101590","7.136","0.0002","14.06","0.0004","16.616","0.0005","90","","90","","90","","1667.12","0.08","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Br Cl2 O3 -","- C15 H17 Br Cl2 O3 -","- C60 H68 Br4 Cl8 O12 -","4","1","","Gao, Shuanhu; Wang, Oiaoling; Chen, Chuo","Synthesis and Structure Revision of Nakiterpiosin","JOURNAL OF THE AMERICAN CHEMICAL SOCIETY","2009","131","4","1410","","10.1021/ja808110d","","","0.7107","MoKα","","0.0902","0.044","","","0.0725","0.0846","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101608","8.0008","0.0002","19.2436","0.0004","36.6855","0.0008","90","","90","","90","","5648.3","0.2","84","2","84","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O8 -","- C32 H34 O8 -","- C256 H272 O64 -","8","2","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","1.54178","CuKα","","0.1094","0.0971","","","0.2532","0.2642","","","","","","1.073","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101609","8.1103","0.0003","12.5967","0.0005","16.9792","0.0006","90","","90","","90","","1734.65","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl2 O4 -","- C17 H20 Cl2 O4 -","- C68 H80 Cl8 O16 -","4","1","","Guo, Fenghai; Konkol, Leah C.; Thomson, Regan J.","Enantioselective synthesis of biphenols from 1,4-diketones by traceless central-to-axial chirality exchange.","Journal of the American Chemical Society","2011","133","1","18","20","10.1021/ja108717r","","","1.54178","CuKα","","0.0601","0.0492","","","0.1242","0.1298","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101620","15.3624","0.0007","16.4958","0.0007","18.56","0.0008","90","","90","","90","","4703.4","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H76 B N6 O Si2 Y -","- C39 H76 B N6 O Si2 Y -","- C156 H304 B4 N24 O4 Si8 Y4 -","4","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0484","0.0328","","","0.0629","0.0674","","","","","","0.974","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101621","15.331","0.0013","16.5053","0.0014","18.4712","0.0016","90","","90","","90","","4674","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H76 B Lu N6 O Si2 -","- C39 H76 B Lu N6 O Si2 -","- C156 H304 B4 Lu4 N24 O4 Si8 -","4","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0164","0.0155","","","0.0386","0.0389","","","","","","1.035","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101622","17.824","0.0011","18.0259","0.0011","31.3594","0.0019","90","","90","","90","","10075.6","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H158 B3 N18 Y3 -","- C81 H144 B3 N18 Y3 -","- C324 H576 B12 N72 Y12 -","4","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0413","0.0317","","","0.0698","0.0721","","","","","","0.984","","","","has coordinates","178762","2020-10-21","18:00:00",""
"4101623","17.8179","0.0009","17.9008","0.0009","31.1982","0.0015","90","","90","","90","","9950.8","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H158 B3 Lu3 N18 -","- C81 H144 B3 Lu3 N18 -","- C324 H576 B12 Lu12 N72 -","4","1","","Cheng, Jianhua; Ferguson, Michael J.; Takats, Josef","Synthesis and reaction of [(Tp(iPr2))LnH2]3 (Ln = Y, Lu) with CO: trinuclear cluster-bound propenolate en route to selective formation of propene.","Journal of the American Chemical Society","2010","132","1","2","3","10.1021/ja905679k","","","0.71073","MoKα","","0.0204","0.0186","","","0.0432","0.0438","","","","","","1.037","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101656","7.5973","0.0006","12.6018","0.001","34.196","0.002","90","","90","","90","","3273.9","0.4","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 Br Cl2 O9 -","- C31 H37 Br Cl2 O9 -","- C124 H148 Br4 Cl8 O36 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71074","MoKα","","0.1841","0.1098","","","0.2106","0.2289","","","","","","1.464","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101660","7.1261","0.0003","10.5633","0.0005","12.464","0.0009","90","","90","","90","","938.23","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","1.5418","CuKα","","0.0342","0.0315","","","0.0769","0.0811","","","","","","0.971","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101663","6.6611","0.0008","10.6173","0.001","24.981","0.002","90","","90","","90","","1766.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br F3 O6 S -","- C15 H18 Br F3 O6 S -","- C60 H72 Br4 F12 O24 S4 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.71069","MoKα","","0.0307","0.0267","","","0.0547","0.0561","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101664","5.7276","0.0002","10.5267","0.0006","22.9283","0.0012","90","","90","","90","","1382.41","0.12","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br O4 -","- C14 H19 Br O4 -","- C56 H76 Br4 O16 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.7107","MoKα","","0.0548","0.0412","","","0.0899","0.0975","","","","","","1.05","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101665","5.7276","0.0002","10.5267","0.0006","22.9283","0.0012","90","","90","","90","","1382.41","0.12","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br O4 -","- C13.3 H17.6 Br0.65 O4 -","- C53.2 H70.4 Br2.6 O16 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.7107","MoKα","","0.0548","0.0412","","","0.0899","0.0975","","","","","","1.05","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101666","5.7276","0.0002","10.5267","0.0006","22.9283","0.0012","90","","90","","90","","1382.41","0.12","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br O4 -","- C12.7 H16.4 Br0.35 O4 -","- C50.8 H65.6 Br1.4 O16 -","4","1","","Gao, Shuanhu; Wang, Qiaoling; Huang, Lily Jun-Shen; Lum, Lawrence; Chen, Chuo","Chemical and biological studies of nakiterpiosin and nakiterpiosinone.","Journal of the American Chemical Society","2010","132","1","371","383","10.1021/ja908626k","","","0.7107","MoKα","","0.0548","0.0412","","","0.0899","0.0975","","","","","","1.05","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101667","5.6298","0.0004","8.2145","0.0006","37.372","0.003","90","","90","","90","","1728.3","0.2","85","2","85","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Br N O3 -","- C21 H16 Br N O3 -","- C84 H64 Br4 N4 O12 -","4","1","","Duffey, Trisha A.; Shaw, Scott A.; Vedejs, Edwin","AcOLeDMAP and BnOLeDMAP: conformationally restricted nucleophilic catalysts for enantioselective rearrangement of indolyl acetates and carbonates.","Journal of the American Chemical Society","2009","131","1","14","15","10.1021/ja805541u","","","0.71073","MoKα","","0.0218","0.0217","","","0.0543","0.0544","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101669","8.3738","0.0008","11.4894","0.0011","21.864","0.002","90","","90","","90","","2103.5","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O3 -","- C22 H29 N3 O3 -","- C88 H116 N12 O12 -","4","1","","Duffey, Trisha A.; Shaw, Scott A.; Vedejs, Edwin","AcOLeDMAP and BnOLeDMAP: conformationally restricted nucleophilic catalysts for enantioselective rearrangement of indolyl acetates and carbonates.","Journal of the American Chemical Society","2009","131","1","14","15","10.1021/ja805541u","","","0.71073","MoKα","","0.0345","0.0312","","","0.0805","0.083","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101689","10.8412","0.0015","18.736","0.003","29.809","0.004","90","","90","","90","","6054.8","1.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C60.25 H87.25 Br2 Mo N2 O2 P1.25 Si -","- C60.25 H87.25 Br2 Mo N2 O2 P1.25 Si -","- C241 H349 Br8 Mo4 N8 O8 P5 Si4 -","4","1","","Marinescu, Smaranda C.; Schrock, Richard R.; Li, Bo; Hoveyda, Amir H.","Inversion of configuration at the metal in diastereomeric imido alkylidene monoaryloxide monopyrrolide complexes of molybdenum.","Journal of the American Chemical Society","2009","131","1","58","59","10.1021/ja808308e","","","0.71073","MoKα","","0.0448","0.0401","","","0.1015","0.1047","","","","","","1.047","","","","has coordinates,has disorder","178762","2020-10-21","18:00:00",""
"4101711","6.3122","0.0007","12.153","0.001","28.515","0.003","90","","90","","90","","2187.4","0.4","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C104 H112 O16 -","4","1","","Kim, Hun Young; Salvi, Luca; Carroll, Patrick J.; Walsh, Patrick J.","One-pot catalytic enantio- and diastereoselective syntheses of anti-, syn-cis-disubstituted, and syn-vinyl cyclopropyl alcohols.","Journal of the American Chemical Society","2010","132","1","402","412","10.1021/ja907781t","","","","","","","","","","","","","","","","","","","","","has coordinates","288250","2023-12-12","13:26:53",""
"4101722","7.603","0.0003","9.635","0.0004","16.183","0.0006","90","","90","","90","","1185.48","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 O3 -","- C13 H15 O3 -","- C52 H60 O12 -","4","1","","Li, De Run; Murugan, Andiappan; Falck, J. R.","Enantioselective, organocatalytic oxy-michael addition to gamma/delta-hydroxy-alpha,beta-enones: boronate-amine complexes as chiral hydroxide synthons.","Journal of the American Chemical Society","2008","130","1","46","48","10.1021/ja076802c","","","0.71073","MoKα","","0.066","0.0506","","","0.1322","0.1491","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101761","9.9962","0.0013","12.7008","0.0016","16.033","0.002","90","","90","","90","","2035.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H31 B11 Ru -","- C14 H31 B11 Ru -","- C56 H124 B44 Ru4 -","4","1","","Zhang, Jian; Deng, Liang; Chan, Hoi-Shan; Xie, Zuowei","Role of c,c'-linkage in the formation and stabilization of supercarboranes. Synthesis and structure of carbon-atoms-apart 13-vertex carborane and 14-vertex metallacarborane.","Journal of the American Chemical Society","2007","129","1","18","19","10.1021/ja067129e","","","0.71073","MoKα","","0.0306","0.0259","","","0.0605","0.0632","","","","","","1.088","","","","has coordinates","178763","2020-10-21","18:00:00",""
"4101788","8.4016","0.0008","12.9089","0.0014","18.1051","0.0016","90","","90","","90","","1963.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Yajing Lian; Huw M. L. Davies","Rhodium-Catalyzed [3 + 2] Annulation of Indoles","Journal of the American Chemical Society","2010","132","","440","441","10.1021/ja9078094","","","1.54178","CuKα","","0.1234","0.0798","","","0.2193","0.2789","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101790","5.5536","0.0001","8.6287","0.0002","42.4623","0.0007","90","","90","","90","","2034.81","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br O5 -","- C23 H21 Br O5 -","- C92 H84 Br4 O20 -","4","1","","Sheng Cui; Shawn D. Walker; Jacqueline C. S. Woo; Christopher J. Borths; Herschel Mukherjee; Maosheng J. Chen; Margaret M. Faul","Practical Asymmetric Conjugate Alkynylation of Meldrum's Acid-Derived Acceptors: Access to Chiral β-Alkynyl Acids","Journal of the American Chemical Society","2010","132","","436","437","10.1021/ja909105s","","x-ray","1.54178","CuKα","","0.0477","0.0408","","","0.0964","0.0996","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101800","8.7295","0.0003","9.1322","0.0004","15.4663","0.0006","90","","90","","90","","1232.97","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Paula Álvarez-Bercedo; Areli Flores-Gaspar; Arkaitz Correa; Ruben Martin","Pd-Catalyzed Intramolecular Acylation of Aryl Bromides via C-H Functionalization: A Highly Efficient Synthesis of Benzocyclobutenones","Journal of the American Chemical Society","2010","132","","466","467","10.1021/ja909811t","","","0.71073","MoKα","","0.0495","0.0439","","","0.1109","0.1146","","","","","","1.072","","","","has coordinates","288243","2023-12-12","09:57:13",""
"4101809","12.2403","0.0008","15.7531","0.0011","16.6894","0.0011","90","","90","","90","","3218.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-D-Pro-Aib-Ala-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-alanyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C27 H47 N5 O8 -","- C27 H47 N5 O8 -","- C108 H188 N20 O32 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0501","0.0439","","","0.1249","0.1313","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101810","10.3268","0.0008","18.7549","0.0015","18.9682","0.0016","90","","90","","90","","3673.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-D-Pro-Aib-Phe-Aib-Val-OMe","t-Butyloxycarbonyl-D-prolyl-alpha-aminoisobutyryl-phenylalanyl -alpha-aminoisobutyryl-valyl-methyl ester","","- C33 H51 N5 O8 -","- C33 H51 N5 O8 -","- C132 H204 N20 O32 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0582","0.0472","","","0.1325","0.1418","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101811","12.2528","0.0012","15.7498","0.0016","16.6866","0.0016","90","","90","","90","","3220.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Pro-Aib-D-Ala-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl -D-alanyl-alpha-aminoisobutyryl-D-valyl-methyl ester","","- C27 H47 N5 O8 -","- C27 H47 N5 O8 -","- C108 H188 N20 O32 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.059","0.0473","","","0.1278","0.138","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101812","10.3354","0.0005","18.7733","0.001","18.982","0.001","90","","90","","90","","3683.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Pro-Aib-D-Phe-Aib-D-Val-OMe","t-Butyloxycarbonyl-prolyl-alpha-aminoisobutyryl -D-phenylalanyl-alpha-aminoisobutyryl-D-valyl-methyl ester","","- C33 H51 N5 O8 -","- C33 H51 N5 O8 -","- C132 H204 N20 O32 -","4","1","","Upadhyayula S. Raghavender; Kantharaju; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hydrophobic Peptide Channels and Encapsulated Water Wires","Journal of the American Chemical Society","2010","132","","1075","1086","10.1021/ja9083978","","","0.71073","MoKα","","0.0612","0.051","","","0.1526","0.1638","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101833","19.121","0.003","21.195","0.003","21.618","0.003","90","","90","","90","","8761","2","113","2","113","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C95 H90 B F24 Ir N O P -","- C95 H90 B F24 Ir N O P -","- C380 H360 B4 F96 Ir4 N4 O4 P4 -","4","1","","Shen Li; Shou-Fei Zhu; Jian-Hua Xie; Song Song; Can-Ming Zhang; Qi-Lin Zhou","Enantioselective Hydrogenation of α-Aryloxy and α-Alkoxy α,β-Unsaturated Carboxylic Acids Catalyzed by Chiral Spiro Iridium/Phosphino-Oxazoline Complexes","Journal of the American Chemical Society","2010","132","","1172","1179","10.1021/ja909810k","","","0.7107","MoKα","","0.0588","0.0496","","","0.0847","0.088","","","","","","1.044","","","","has coordinates,has disorder","178764","2020-10-21","18:00:00",""
"4101843","5.7607","0.0007","11.1384","0.0016","20.346","0.003","90","","90","","90","","1305.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O4 S -","- C13 H16 O4 S -","- C52 H64 O16 S4 -","4","1","","Christopher J. Flynn; Curtis J. Elcoate; Simon E. Lawrence; Anita R. Maguire","Highly Enantioselective Intramolecular Copper Catalyzed C-H Insertion Reactions of α-Diazosulfones","Journal of the American Chemical Society","2010","132","","1184","1185","10.1021/ja909713a","","","0.71073","MoKα","","0.0774","0.0441","","","0.0911","0.105","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101844","5.794","0.004","14.547","0.014","18.538","0.013","90","","90","","90","","1562","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 S -","- C18 H18 O3 S -","- C72 H72 O12 S4 -","4","1","","Christopher J. Flynn; Curtis J. Elcoate; Simon E. Lawrence; Anita R. Maguire","Highly Enantioselective Intramolecular Copper Catalyzed C-H Insertion Reactions of α-Diazosulfones","Journal of the American Chemical Society","2010","132","","1184","1185","10.1021/ja909713a","","","0.71073","MoKα","","0.0681","0.0406","","","0.0778","0.087","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101857","8.436","0.0012","17.851","0.003","20.117","0.003","90","","90","","90","","3029.4","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Co N5 -","- C33 H43 Co N5 -","- C132 H172 Co4 N20 -","4","1","","Amanda C. Bowman; Carsten Milsmann; Crisita Carmen Hojilla Atienza; Emil Lobkovsky; Karl Wieghardt; Paul J. Chirik","Synthesis and Molecular and Electronic Structures of Reduced Bis(imino)pyridine Cobalt Dinitrogen Complexes: Ligand versus Metal Reduction","Journal of the American Chemical Society","2010","132","","1676","1684","10.1021/ja908955t","","","0.71073","MoKα","","0.0606","0.0416","","","0.0742","0.0806","","","","","","1.027","","","","has coordinates","178764","2020-10-21","18:00:00",""
"4101873","5.9","0.002","11.571","0.005","23.062","0.009","90","","90","","90","","1574.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl3 N O3 -","- C14 H14 Cl3 N O3 -","- C56 H56 Cl12 N4 O12 -","4","1","","Stéphane Beaumont; Elizabeth A. Ilardi; Lucas R. Monroe; Armen Zakarian","Valence Tautomerism in Titanium Enolates: Catalytic Radical Haloalkylation and Application in the Total Synthesis of Neodysidenin","Journal of the American Chemical Society","2010","132","","1482","1483","10.1021/ja910154f","","","0.71073","MoKα","","0.0453","0.0369","","","0.0982","0.103","","","","","","1.18","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101905","7.9889","0.001","8.9128","0.0012","22.255","0.003","90","","90","","90","","1584.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 I N O3 -","- C15 H18 I N O3 -","- C60 H72 I4 N4 O12 -","4","1","","Xinqiang Fang; Kun Liu; Chaozhong Li","Efficient Regio- and Stereoselective Formation of Azocan-2-ones via 8-EndoCyclization of α-Carbamoyl Radicals","Journal of the American Chemical Society","2010","132","","2274","2283","10.1021/ja9082649","","","0.71073","MoKα","","0.0705","0.0578","","","0.1488","0.1574","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4101926","7.4212","0.0002","9.9724","0.0003","23.8171","0.0006","90","","90","","90","","1762.64","0.08","298.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Fe O P -","- C20 H23 Fe O P -","- C80 H92 Fe4 O4 P4 -","4","1","","Masamichi Ogasawara; Susumu Watanabe; Kiyohiko Nakajima; Tamotsu Takahashi","Enantioselective Synthesis of Planar-Chiral Phosphaferrocenes by Molybdenum-Catalyzed Asymmetric Interannular Ring-Closing Metathesis","Journal of the American Chemical Society","2010","132","","2136","2137","10.1021/ja910348z","","","0.71075","MoKα","","","0.0529","","","","0.0503","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4101960","4.5362","","12.2286","","16.2915","","90","","90","","90","","903.712","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101962","23.2015","","8.6198","","4.5444","","90","","90","","90","","908.845","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101963","12.1203","","16.1584","","4.6365","","90","","90","","90","","908.034","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Elodie Salager; Graeme M. Day; Robin S. Stein; Chris J. Pickard; Bénédicte Elena; Lyndon Emsley","Powder Crystallography by Combined Crystal Structure Prediction and High-Resolution 1H Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2010","132","","2564","2566","10.1021/ja909449k","","","","","","","","","","","","","","","","","","","","","has coordinates","209425","2020-10-21","18:00:00",""
"4101990","7.9428","0.0016","27.42","0.006","40.909","0.008","90","","90","","90","","8910","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36.67 N2 O4.33 S2 -","- C30 H35.3333 N2 O4.33333 S2 -","- C360 H424 N24 O52 S24 -","12","3","","Erica L. Campbell; Andrea M. Zuhl; Christopher M. Liu; Dale L. Boger","Total Synthesis of (+)-Fendleridine (Aspidoalbidine) and (+)-1-Acetylaspidoalbidine","Journal of the American Chemical Society","2010","132","","3009","3012","10.1021/ja908819q","","","0.71073","MoKα","","0.1836","0.099","","","0.2048","0.251","","","","","","0.994","","","","has coordinates,has disorder","178765","2020-10-21","18:00:00",""
"4102030","8.2992","0.0005","9.2248","0.0013","27.3952","0.0005","90","","90","","90","","2097.3","0.3","88.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 F N O5 P -","- C19 H29 F N O5 P -","- C76 H116 F4 N4 O20 P4 -","4","1","","Yasuhiro Yamashita; Xun-Xiang Guo; Ryuta Takashita; Shū Kobayashi","Chiral Silver Amide-Catalyzed Enantioselective [3 + 2] Cycloaddition of α-Aminophosphonates with Olefins","Journal of the American Chemical Society","2010","132","","3262","3263","10.1021/ja100101n","","","0.71075","MoKα","","","0.0512","","","","0.073","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102031","8.6413","0.0001","17.5979","0.0002","18.4606","0.0002","90","","90","","90","","2807.28","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","RajanBabu 1754","","","- C29 H30 Cl2 Co P2 -","- C29 H30 Cl2 Co P2 -","- C116 H120 Cl8 Co4 P8 -","4","1","","Rakesh K. Sharma; T. V. RajanBabu","Asymmetric Hydrovinylation of Unactivated Linear 1,3-Dienes","Journal of the American Chemical Society","2010","132","","3295","3297","10.1021/ja1004703","","x-ray","0.71073","MoKα","","0.0461","0.0301","","","0.0565","0.0609","","","","","","1.048","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102034","7.3944","0.0005","9.7049","0.0007","21.9189","0.0015","90","","90","","90","","1572.94","0.19","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br N -","- C17 H24 Br N -","- C68 H96 Br4 N4 -","4","1","","Tatsuya Ito; Larry E. Overman; Jocelyn Wang","Enantioselective Synthesis of Angularly Substituted 1-Azabicyclic Ring Systems: Dynamic Kinetic Resolution Using Aza-Cope Rearrangements","Journal of the American Chemical Society","2010","132","","3272","3273","10.1021/ja100607z","","","0.71073","MoKα","","0.0197","0.0189","","","0.0464","0.0467","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102057","9.904","0.0008","21.441","0.003","21.8567","0.0018","90","","90","","90","","4641.3","0.8","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C82 H29 N O2 -","- C82 H29 N O2 -","- C328 H116 N4 O8 -","4","1","","Stéphane Campidelli; Philippe Bourgun; Boris Guintchin; Julien Furrer; Helen Stoeckli-Evans; Isabel M. Saez; John W. Goodby; Robert Deschenaux","Diastereoisomerically Pure Fulleropyrrolidines as Chiral Platforms for the Design of Optically Active Liquid Crystals","Journal of the American Chemical Society","2010","132","","3574","3581","10.1021/ja910128e","","","0.71073","MoKα","","0.1443","0.0727","","","0.1065","0.1273","","","","","","0.971","","","","has coordinates","178766","2020-10-21","18:00:00",""
"4102092","11.8898","0.0012","21.318","0.003","22.944","0.003","90","","90","","90","","5815.5","1.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H80 Br Li N O2.5 P3 Sc -","- C56 H80 Br Li N O2.5 P3 Sc -","- C224 H320 Br4 Li4 N4 O10 P12 Sc4 -","4","1","","Benjamin F. Wicker; Jennifer Scott; José G. Andino; Xinfeng Gao; Hyunsoo Park; Maren Pink; Daniel J. Mindiola","Phosphinidene Complexes of Scandium: Powerful PAr Group-Transfer Vehicles to Organic and Inorganic Substrates","Journal of the American Chemical Society","2010","132","","3691","3693","10.1021/ja100214e","","x-ray","0.71073","MoKα","","0.0795","0.0567","","","0.1377","0.151","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102121","8.8778","0.0015","11.951","0.002","18.68","0.003","90","","90","","90","","1981.9","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","estrone derivative 11c","","","- C23 H28 O4 -","- C23 H28 O4 -","- C92 H112 O16 -","4","1","","Christoph Schotes; Antonio Mezzetti","Asymmetric Diels-Alder Reactions of Unsaturated β-Ketoesters Catalyzed by Chiral Ruthenium PNNP Complexes","Journal of the American Chemical Society","2010","132","","3652","3653","10.1021/ja910039e","","","0.71073","MoKα","","0.0673","0.0457","","","0.0731","0.078","","","","","","0.819","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102134","18.014","0.004","24.694","0.005","26.113","0.005","90","","90","","90","","11616","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37.75 N2 O7 -","- C31 H37.75 N2 O7 -","- C496 H604 N32 O112 -","16","4","","Daisuke Kato; Yoshikazu Sasaki; Dale L. Boger","Asymmetric Total Synthesis of Vindoline","Journal of the American Chemical Society","2010","132","","3685","3687","10.1021/ja910695e","","","0.71073","MoKα","","0.152","0.0784","","","0.1919","0.2458","","","","","","0.992","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102153","6.2423","0.0009","8.328","0.0013","25.041","0.004","90","","90","","90","","1301.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br O3 -","- C14 H13 Br O3 -","- C56 H52 Br4 O12 -","4","1","","Qing Gu; Zi-Qiang Rong; Chao Zheng; Shu-Li You","Desymmetrization of Cyclohexadienones via Brønsted Acid-Catalyzed Enantioselective Oxo-Michael Reaction","Journal of the American Chemical Society","2010","132","","4056","4057","10.1021/ja100207s","","","0.71073","MoKα","","0.0594","0.0432","","","0.0935","0.0985","","","","","","0.882","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102158","5.45891","0.0001","11.3397","0.0002","28.9935","0.0005","90","","90","","90","","1794.77","0.06","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O2 -","- C20 H21 Br N2 O2 -","- C80 H84 Br4 N8 O8 -","4","1","","Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka","Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2010","132","","4076","4077","10.1021/ja100787a","","","1.54187","CuKα","","","0.0366","","","","0.0898","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102159","9.46167","0.00017","11.9002","0.0002","15.0505","0.0003","90","","90","","90","","1694.62","0.05","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C72 H104 N8 O8 -","4","1","","Takuya Hashimoto; Yuko Maeda; Masato Omote; Hiroki Nakatsu; Keiji Maruoka","Catalytic Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines with α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2010","132","","4076","4077","10.1021/ja100787a","","","1.54187","CuKα","","","0.0334","","","","0.0877","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102168","13.4209","0.0018","14.619","0.002","21.192","0.003","90","","90","","90","","4157.9","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[SiPiPr3]Fe(NHTol)","","","- C43 H62 Fe N P3 Si -","- C43 H62 Fe N P3 Si -","- C172 H248 Fe4 N4 P12 Si4 -","4","1","","Neal P. Mankad; Peter Müller; Jonas C. Peters","Catalytic N-N Coupling of Aryl Azides To Yield Azoarenes via trigonal Bipyramid Iron-Nitrene Intermediates","Journal of the American Chemical Society","2010","132","","4083","4085","10.1021/ja910224c","","","0.71073","MoKα","","0.0587","0.0419","","","0.082","0.0899","","","","","","1.011","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102183","8.3124","0.0003","9.5889","0.0003","21.4172","0.0006","90","","90","","90","","1707.1","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O6 -","- C18 H24 O6 -","- C72 H96 O24 -","4","1","","Hui Zhou; Kangjian Qiao; Zhizeng Gao; Michael J. Meehan; Jesse W.-H. Li; Xiling Zhao; Pieter C. Dorrestein; John C. Vederas; Yi Tang","Enzymatic Synthesis of Resorcylic Acid Lactones by Cooperation of Fungal Iterative Polyketide Synthases Involved in Hypothemycin Biosynthesis","Journal of the American Chemical Society","2010","132","","4530","4531","10.1021/ja100060k","","","0.71073","MoKα","","0.0283","0.0276","","","0.0764","0.0771","","","","","","1.04","","","","has coordinates","178767","2020-10-21","18:00:00",""
"4102186","13.3502","0.0007","15.9899","0.0008","17.0757","0.0008","90","","90","","90","","3645.1","0.3","148","2","148","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O6 -","- C20 H25 N2 O6 -","- C160 H200 N16 O48 -","8","2","","Connor L. Martin; Larry E. Overman; Jason M. Rohde","Total Synthesis of (\±)- and (-)-Actinophyllic Acid","Journal of the American Chemical Society","2010","132","","4894","4906","10.1021/ja100178u","","","0.71073","MoKα","","0.0566","0.0521","","","0.1327","0.1368","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102188","13.271","0.002","15.261","0.003","15.572","0.003","90","","90","","90","","3153.8","1","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O4.5 -","- C18 H18 N2 O4.5 -","- C144 H144 N16 O36 -","8","2","","Connor L. Martin; Larry E. Overman; Jason M. Rohde","Total Synthesis of (\±)- and (-)-Actinophyllic Acid","Journal of the American Chemical Society","2010","132","","4894","4906","10.1021/ja100178u","","","0.71073","MoKα","","0.0785","0.0647","","","0.1775","0.1882","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102211","14.785","0.003","15.378","0.003","16.624","0.003","90","","90","","90","","3779.7","1.3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 Cl2 O7 Rh2 S4 -","- C28 H50 Cl2 O7 Rh2 S4 -","- C112 H200 Cl8 O28 Rh8 S16 -","4","1","","Jun Chen; Junmin Chen; Feng Lang; Xiangyang Zhang; Linfeng Cun; Jin Zhu; Jingen Deng; Jian Liao","AC2-Symmetric Chiral Bis-Sulfoxide Ligand in a Rhodium-Catalyzed Reaction: Asymmetric 1,4-Addition of Sodium Tetraarylborates to Chromenones","Journal of the American Chemical Society","2010","132","","4552","4553","10.1021/ja1005477","","","0.71073","MoKα","","0.0869","0.0793","","","0.1841","0.1915","","","","","","1.076","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102213","12.0709","0.0004","12.539","0.0005","15.2621","0.0005","90","","90","","90","","2310.03","0.14","113.1","","113.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Cl2 N3 V -","- C24 H30 Cl2 N3 V -","- C96 H120 Cl8 N12 V4 -","4","1","","Shu Zhang; Kotohiro Nomura","Highly Efficient Dimerization of Ethylene by (Imido)vanadium Complexes Containing (2-Anilidomethyl)pyridine Ligands: Notable Ligand Effect toward Activity and Selectivity","Journal of the American Chemical Society","2010","132","","4960","4965","10.1021/ja100573d","","","0.71075","MoKα","","","0.0169","","","","0.0519","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102216","5.2487","0.001","9.0689","0.0018","23.581","0.005","90","","90","","90","","1122.5","0.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 Br O -","- C12 H15 Br O -","- C48 H60 Br4 O4 -","4","1","","Jian-Bo Xie; Jian-Hua Xie; Xiao-Yan Liu; Wei-Ling Kong; Shen Li; Qi-Lin Zhou","Highly Enantioselective Hydrogenation of α-Arylmethylene Cycloalkanones Catalyzed by Iridium Complexes of Chiral Spiro Aminophosphine Ligands","Journal of the American Chemical Society","2010","132","","4538","4539","10.1021/ja100652f","","","0.7107","MoKα","","0.0404","0.0307","","","0.0597","0.0644","","","","","","0.995","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102218","16.34","0.003","17.121","0.003","36.538","0.007","90","","90","","90","","10222","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C87 H140 N18 O21 -","- C87 H140 N18 O21 -","- C348 H560 N72 O84 -","4","1","","Jordi Solà; Madeleine Helliwell; Jonathan Clayden","N- versus C-Terminal Control over the Screw-Sense Preference of the Configurationally Achiral, Conformationally Helical Peptide Motif Aib8GlyAib8","Journal of the American Chemical Society","2010","132","","4548","4549","10.1021/ja100662d","","","0.71073","MoKα","","0.0767","0.0725","","","0.1474","0.1493","","","","","","1.155","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102233","9.9621","0.0002","11.4794","0.0003","21.7107","0.0006","90","","90","","90","","2482.81","0.11","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C112 H128 N8 O20 -","4","1","","Mujeeb Khan; Volker Enkelmann; Gunther Brunklaus","Crystal Engineering of Pharmaceutical Co-crystals: Application of Methyl Paraben as Molecular Hook","Journal of the American Chemical Society","2010","132","","5254","5263","10.1021/ja100146f","","","0.71073","MoKα","","0.0677","0.0374","","0.0567","0.0416","0.0416","","","","","","1.109","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102238","8.879","0.0004","20.7162","0.0007","24.1069","0.0008","90","","90","","90","","4434.2","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45.5 H59 Br2 O6 -","- C45.5 H59 Br2 O6 -","- C182 H236 Br8 O24 -","4","1","","Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle","Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone","Journal of the American Chemical Society","2010","132","","5300","5308","10.1021/ja1006806","","","1.54178","CuKα","","0.065","0.0553","","","0.1567","0.1651","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102241","12.194","0.003","17.305","0.004","25.66","0.006","90","","90","","90","","5415","2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O4 -","- C30 H50 O4 -","- C240 H400 O32 -","8","2","","Matthew A. Boone; Rongbiao Tong; Frank E. McDonald; Sheri Lense; Rui Cao; Kenneth I. Hardcastle","Biomimetic Syntheses from Squalene-Like Precursors: Synthesis of ent-Abudinol B and Reassessment of the Structure of Muzitone","Journal of the American Chemical Society","2010","132","","5300","5308","10.1021/ja1006806","","","1.54178","CuKα","","0.2062","0.0803","","","0.0952","0.1295","","","","","","1.003","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102259","6.9387","0.0014","14.503","0.003","15.6","0.003","90","","90","","90","","1569.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O -","- C21 H23 N O -","- C84 H92 N4 O4 -","4","1","","Robert R. Knowles; Song Lin; Eric N. Jacobsen","Enantioselective Thiourea-Catalyzed Cationic Polycyclizations","Journal of the American Chemical Society","2010","132","","5030","5032","10.1021/ja101256v","","","0.71073","MoKα","","0.0652","0.042","","","0.0822","0.0909","","","","","","1.019","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102288","9.9216","0.001","10.6161","0.001","19.8643","0.0019","90","","90","","90","","2092.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 N2 O2 Te -","- C26 H18 N2 O2 Te -","- C104 H72 N8 O8 Te4 -","4","1","","Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh","Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane","Journal of the American Chemical Society","2010","132","","5364","5374","10.1021/ja908080u","","","0.71073","MoKα","","0.0647","0.0427","","","0.0644","0.0716","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102290","9.9319","0.0006","10.6098","0.0006","19.8677","0.0012","90","","90","","90","","2093.6","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 N2 O2 Te -","- C26 H18 N2 O2 Te -","- C104 H72 N8 O8 Te4 -","4","1","","Bani Kanta Sarma; Debasish Manna; Mao Minoura; Govindasamy Mugesh","Synthesis, Structure, Spirocyclization Mechanism, and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and Spirodiazatellurane","Journal of the American Chemical Society","2010","132","","5364","5374","10.1021/ja908080u","","","0.71073","MoKα","","0.0931","0.058","","","0.0884","0.0993","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102291","5.8894","0.0001","8.3683","0.0001","34.8423","0.0004","90","","90","","90","","1717.18","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Br -","- C23 H19 Br -","- C92 H76 Br4 -","4","1","","Benoit Cardinal-David; Dustin E. A. Raup; Karl A. Scheidt","Cooperative N-Heterocyclic Carbene/Lewis Acid Catalysis for Highly Stereoselective Annulation Reactions with Homoenolates","Journal of the American Chemical Society","2010","132","","5345","5347","10.1021/ja910666n","","","0.71073","MoKα","","0.0349","0.0307","","","0.0818","0.0887","","","","","","1.122","","","","has coordinates","178768","2020-10-21","18:00:00",""
"4102293","5.1523","0.0014","8.571","0.003","26.799","0.007","90","","90","","90","","1183.5","0.6","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Te2 -","- C12 H10 Te2 -","- C48 H40 Te8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.7107","MoKα","","","0.0253","","","","0.0603","","","","","","1.104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102294","5.5401","0.0011","8.0864","0.0018","23.478","0.005","90","","90","","90","","1051.8","0.4","125.1","","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 S2 -","- C12 H10 S2 -","- C48 H40 S8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.71075","MoKα","","","0.0723","","","","0.172","","","","","","1.108","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102295","5.5363","0.0007","8.0793","0.0011","23.483","0.003","90","","90","","90","","1050.4","0.2","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 S2 -","- C12 H10 S2 -","- C48 H40 S8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.71075","MoKα","","","0.0293","","","","0.0646","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102296","5.5699","0.0019","8.238","0.003","23.826","0.007","90","","90","","90","","1093.3","0.6","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Se2 -","- C12 H10 Se2 -","- C48 H40 Se8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.7107","MoKα","","","0.0334","","","","0.1014","","","","","","1.224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102297","5.5878","0.0011","8.2521","0.0017","23.907","0.005","90","","90","","90","","1102.4","0.4","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Se2 -","- C12 H10 Se2 -","- C48 H40 Se8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.71075","MoKα","","","0.0408","","","","0.0806","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102298","5.1563","0.0008","8.5809","0.0013","26.784","0.004","90","","90","","90","","1185.1","0.3","125.1","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Te2 -","- C12 H10 Te2 -","- C48 H40 Te8 -","4","1","","Amy L. Fuller; Lindesay A. S. Scott-Hayward; Yang Li; Michael Bühl; Alexandra M. Z. Slawin; J. Derek Woollins","Automated Chemical Crystallography","Journal of the American Chemical Society","2010","132","","5799","5802","10.1021/ja100247y","","","0.7107","MoKα","","","0.031","","","","0.1032","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102316","5.6763","0.0008","17.997","0.003","22.844","0.003","90","","90","","90","","2333.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br O2 P -","- C27 H22 Br O2 P -","- C108 H88 Br4 O8 P4 -","4","1","","Jian-Jun Feng; Xue-Feng Chen; Min Shi; Wei-Liang Duan","Palladium-Catalyzed Asymmetric Addition of Diarylphosphines to Enones toward the Synthesis of Chiral Phosphines","Journal of the American Chemical Society","2010","132","","5562","5563","10.1021/ja100606v","","","0.71073","MoKα","","0.071","0.0444","","","0.0853","0.0906","","","","","","0.892","","","","has coordinates","178769","2020-10-21","18:00:00",""
"4102323","20.2603","0.0008","25.3053","0.0011","25.6274","0.001","90","","90","","90","","13139","0.9","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C152 H130 Cl8 N4 Nb2 O8 -","- C152 H130 Cl8 N4 Nb2 O8 -","- C608 H520 Cl32 N16 Nb8 O32 -","4","1","","Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","Oxidation Catalysis of Nb(salan) Complexes: Asymmetric Epoxidation of Allylic Alcohols Using Aqueous Hydrogen Peroxide as an Oxidant","Journal of the American Chemical Society","2010","132","","5886","5895","10.1021/ja100795k","","","0.71073","MoKα","","0.109","0.088","","","0.2384","0.2564","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102390","5.673","0.0002","9.768","0.0004","22.1257","0.0009","90","","90","","90","","1226.07","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Ming-Kui Zhu; Jun-Feng Zhao; Teck-Peng Loh","Palladium-Catalyzed Oxime Assisted Intramolecular Dioxygenation of Alkenes with 1 atm of Air as the Sole Oxidant","Journal of the American Chemical Society","2010","132","","6284","6285","10.1021/ja100716x","","","0.71073","MoKα","","0.0653","0.0483","","","0.1398","0.1661","","","","","","1.103","","","","has coordinates,has disorder","178769","2020-10-21","18:00:00",""
"4102391","7.4681","0.0017","12.7255","0.0016","17.4475","0.0018","90","","90","","90","","1658.1","0.5","292.1","","292.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O4 -","- C16 H18 Br N O4 -","- C64 H72 Br4 N4 O16 -","4","1","","Tomonori Misaki; Gouta Takimoto; Takashi Sugimura","Direct Asymmetric Aldol Reaction of 5H-Oxazol-4-ones with Aldehydes Catalyzed by Chiral Guanidines","Journal of the American Chemical Society","2010","132","","6286","6287","10.1021/ja101216x","","","0.71069","MoKα","","","0.0642","","","","0.062","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102394","8.577","0.0003","14.8684","0.0005","21.6483","0.0007","90","","90","","90","","2760.73","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Ni P2 -","- C30 H40 Ni P2 -","- C120 H160 Ni4 P8 -","4","1","","Alexandra Velian; Sibo Lin; Alexander J. M. Miller; Michael W. Day; Theodor Agapie","Synthesis and C-C Coupling Reactivity of a Dinuclear NiI-NiI Complex Supported by a Terphenyl Diphosphine","Journal of the American Chemical Society","2010","132","","6296","6297","10.1021/ja101699a","","","0.71073","MoKα","","0.039","0.0302","","","0.0568","0.0584","","","","","","1.311","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4102415","6.8795","0.0014","14.854","0.003","19.609","0.004","90","","90","","90","","2003.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Br N O3 -","- C20 H25 Br N O3 -","- C80 H100 Br4 N4 O12 -","4","1","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Philippe Dagneau; Andreas Lanver; Michael P. Jennings; Stellios Arseniyadis; Raffaella Faraoni; Dimitrios E. Lizos","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the Originally Assigned Structure of Vannusal B","Journal of the American Chemical Society","2010","132","","7138","7152","10.1021/ja100740t","","","0.71073","MoKα","","0.0889","0.0529","","","0.1379","0.1576","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102418","8.6041","0.0017","18.186","0.004","19.188","0.004","90","","90","","90","","3002.4","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O4 Si -","- C29 H52 O4 Si -","- C116 H208 O16 Si4 -","4","1","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Graziano Guella","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the True Structures of Vannusals A and B","Journal of the American Chemical Society","2010","132","","7153","7176","10.1021/ja100742b","","","0.71073","MoKα","","0.0992","0.0736","","","0.1566","0.1694","","","","","","1.109","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102420","8.0392","0.0016","12.061","0.002","31.538","0.006","90","","90","","90","","3057.9","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 O7 -","- C32 H46 O7 -","- C128 H184 O28 -","4","1","","K. C. Nicolaou; Adrian Ortiz; Hongjun Zhang; Graziano Guella","Total Synthesis and Structural Revision of Vannusals A and B: Synthesis of the True Structures of Vannusals A and B","Journal of the American Chemical Society","2010","132","","7153","7176","10.1021/ja100742b","","","0.71073","MoKα","","0.0734","0.0587","","","0.1364","0.1444","","","","","","1.066","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102473","15.8994","0.001","19.2681","0.0013","22.9828","0.0014","90","","90","","90","","7040.8","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H86 F6 N2 O12 S2 U -","- C68 H75 F6 N2 O12 S2 U -","- C272 H300 F24 N8 O48 S8 U4 -","4","1","","Jessie L. Brown; Guang Wu; Trevor W. Hayton","Oxo Ligand Silylation in a Uranyl β-Ketoiminate Complex","Journal of the American Chemical Society","2010","132","","7248","7249","10.1021/ja1013739","","","0.71073","MoKα","","0.0942","0.063","","","0.1458","0.1612","","","","","","0.983","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102482","9.2753","0.0019","15.671","0.003","17.772","0.004","90","","90","","90","","2583.2","0.9","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 O8 -","- C32 H30 O8 -","- C128 H120 O32 -","4","1","","K. C. Nicolaou; Qiang Kang; T. Robert Wu; Chek Shik Lim; David Y.-K. Chen","Total Synthesis and Biological Evaluation of the Resveratrol-Derived Polyphenol Natural Products Hopeanol and Hopeahainol A","Journal of the American Chemical Society","2010","132","","7540","7548","10.1021/ja102623j","","","0.71073","MoKα","","0.0527","0.049","","","0.1226","0.1273","","","","","","1.092","","","","has coordinates","178770","2020-10-21","18:00:00",""
"4102495","8.866","0.002","11.297","0.003","11.831","0.003","90","","90","","90","","1185","0.5","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 -","- C14 H18 N2 -","- C56 H72 N8 -","4","1","","Sergey I. Druzhinin; Peter Mayer; Dietmar Stalke; Rixa von Bülow; Mathias Noltemeyer; Klaas A. Zachariasse","Intramolecular Charge Transfer with 1-tert-Butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and Other Aminobenzonitriles. A Comparison of Experimental Vapor Phase Spectra and Crystal Structures with Calculations","Journal of the American Chemical Society","2010","132","","7730","7744","10.1021/ja101336n","","","0.71073","MoKα","","0.0353","0.0328","","","0.0856","0.0875","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102516","5.5909","0.0005","17.6944","0.0017","19.0577","0.0018","90","","90","","90","","1885.3","0.3","173","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18.5 N O3 Pt S -","- C21 H18.5 N O3 Pt S -","- C84 H74 N4 O12 Pt4 S4 -","4","1","","Peter D. Frischmann; Samuel Guieu; Raymond Tabeshi; Mark J. MacLachlan","Columnar Organization of Head-to-Tail Self-Assembled Pt4 Rings","Journal of the American Chemical Society","2010","132","","7668","7675","10.1021/ja910886g","","","0.71073","MoKα","","0.0564","0.0441","","","0.1059","0.1146","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102536","16.5029","0.0004","20.8999","0.0005","30.0805","0.0007","90","","90","","90","","10375","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44.61 H68.61 Cl1.83 N4 O7 -","- C44.61 H68.61 Cl1.83 N4 O7 -","- C356.88 H548.88 Cl14.64 N32 O56 -","8","2","","Li Guo; Aaron M. Almeida; Weicheng Zhang; Andrew G. Reidenbach; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","Helix Formation in Preorganized β/γ-Peptide Foldamers: Hydrogen-Bond Analogy to the α-Helix without α-Amino Acid Residues","Journal of the American Chemical Society","2010","132","","7868","7869","10.1021/ja103233a","","","1.54178","Cu-Kα","","0.063","0.0511","","","0.1353","0.1436","","","","","","0.978","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102537","10.9331","0.0002","18.5573","0.0003","24.7143","0.0004","90","","90","","90","","5014.26","0.15","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H76 Br N5 O8 -","- C50 H76 Br N5 O8 -","- C200 H304 Br4 N20 O32 -","4","1","","Li Guo; Aaron M. Almeida; Weicheng Zhang; Andrew G. Reidenbach; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman","Helix Formation in Preorganized β/γ-Peptide Foldamers: Hydrogen-Bond Analogy to the α-Helix without α-Amino Acid Residues","Journal of the American Chemical Society","2010","132","","7868","7869","10.1021/ja103233a","","","1.54178","CuKα","","0.0915","0.0576","","","0.1434","0.1695","","","","","","0.951","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4102562","8.9014","0.0002","11.7597","0.0002","17.7704","0.0004","90","","90","","90","","1860.17","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Highly Substituted Pyrrolidines by Palladium-Catalyzed Asymmetric [3+2] Cycloaddition of Trimethylenemethane with Ketimines","Journal of the American Chemical Society","2010","132","","8238","8240","10.1021/ja102102d","","","1.54178","CuKα","","0.0259","0.0252","","","0.0662","0.0666","","","","","","1.045","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102564","8.1985","0.0016","15.429","0.003","17.096","0.003","90","","90","","90","","2162.6","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Porino Va; Erica L. Campbell; William M. Robertson; Dale L. Boger","Total Synthesis and Evaluation of a Key Series of C5-Substituted Vinblastine Derivatives","Journal of the American Chemical Society","2010","132","","8489","8495","10.1021/ja1027748","","","0.71073","MoKα","","0.0584","0.0556","","","0.1408","0.1431","","","","","","1.157","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102565","10.341","0.002","10.798","0.002","18.045","0.004","90","","90","","90","","2014.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C92 H96 N8 O20 -","4","1","","Porino Va; Erica L. Campbell; William M. Robertson; Dale L. Boger","Total Synthesis and Evaluation of a Key Series of C5-Substituted Vinblastine Derivatives","Journal of the American Chemical Society","2010","132","","8489","8495","10.1021/ja1027748","","","0.71073","MoKα","","0.1213","0.0844","","","0.1399","0.1543","","","","","","1.1","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102566","10.547","0.002","12.693","0.003","17.13","0.003","90","","90","","90","","2293.2","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O4 S -","- C24 H30 N2 O4 S -","- C96 H120 N8 O16 S4 -","4","1","","Porino Va; Erica L. Campbell; William M. Robertson; Dale L. Boger","Total Synthesis and Evaluation of a Key Series of C5-Substituted Vinblastine Derivatives","Journal of the American Chemical Society","2010","132","","8489","8495","10.1021/ja1027748","","","0.71073","MoKα","","0.0524","0.0446","","","0.0972","0.1012","","","","","","1.036","","","","has coordinates","178771","2020-10-21","18:00:00",""
"4102626","14.116","0.0006","19.3072","0.0008","22.4163","0.0009","90","","90","","90","","6109.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H38 Cl Ir P2 Si -","- C33 H38 Cl Ir P2 Si -","- C264 H304 Cl8 Ir8 P16 Si8 -","8","2","","Eduardo Sola; Alba García-Camprubí; José L. Andrés; Marta Martín; Pablo Plou","Iridium Compounds with κ-P,P,Si(biPSi) Pincer Ligands: Favoring Reactive Structures in Unsaturated Complexes","Journal of the American Chemical Society","2010","132","","9111","9121","10.1021/ja102479h","","","0.71073","MoKα","","0.0619","0.0379","","","0.0532","0.058","","","","","","0.71","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102640","10.918","0.003","16.463","0.005","21.628","0.007","90","","90","","90","","3887","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Li(Et2O)][HIr(kappa-2-C,P-(P(CH2Ad)(i-Pr)2))(P(CH2Ad)(i-Pr)2)","","","- C38 H72 Ir Li O P2 -","- C38 H72 Ir Li O P2 -","- C152 H288 Ir4 Li4 O4 P8 -","4","1","","Matthew D. Millard; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Four-Coordinate Iridium(I) Monohydrides: Reversible Dinitrogen Binding, Bond Activations, and Deprotonations","Journal of the American Chemical Society","2010","132","","8921","8923","10.1021/ja1037808","","","0.71073","MoKα","","0.0514","0.0437","","","0.105","0.1116","","","","","","1.046","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102660","9.7107","0.0004","12.3459","0.0005","20.2414","0.0008","90","","90","","90","","2426.69","0.17","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O -","- C28 H32 N2 O -","- C112 H128 N8 O4 -","4","1","","Adam R. Brown; Wen-Hsin Kuo; Eric N. Jacobsen","Enantioselective Catalytic α-Alkylation of Aldehydes via an SN1 Pathway","Journal of the American Chemical Society","2010","132","","9286","9288","10.1021/ja103618r","","x-ray","0.71073","MoKα","","0.0426","0.0393","","","0.1023","0.1054","","","","","","1.056","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102670","8.8298","0.0002","11.8871","0.0003","21.7347","0.0006","90","","90","","90","","2281.29","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O5 -","- C28 H27 N O5 -","- C112 H108 N4 O20 -","4","1","","Andrew T. Parsons; Austin G. Smith; Andrew J. Neel; Jeffrey S. Johnson","Dynamic Kinetic Asymmetric Synthesis of Substituted Pyrrolidines from Racemic Cyclopropanes and Aldimines: Reaction Development and Mechanistic Insights","Journal of the American Chemical Society","2010","132","","9688","9692","10.1021/ja1032277","","","1.54178","CuKα","","0.0403","0.0349","","","0.0825","0.0855","","","","","","1.088","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102672","8.6183","0.0003","18.135","0.0007","24.038","0.001","90","","90","","90","","3757","0.3","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36.57 H36.28 Cl F6 N4 O4.57 S -","- C36.571 H36.284 Cl F6 N4 O4.571 S -","- C146.284 H145.136 Cl4 F24 N16 O18.284 S4 -","4","1","","Ravi P. Singh; Bruce M. Foxman; Li Deng","Asymmetric Vinylogous Aldol Reaction of Silyloxy Furans with a Chiral Organic Salt","Journal of the American Chemical Society","2010","132","","9558","9560","10.1021/ja103331t","","","0.71073","MoKα","","0.0911","0.0482","","0.1057","0.0911","0.1057","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102683","8.3421","0.0005","8.7999","0.0005","22.1725","0.0012","90","","90","","90","","1627.68","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O -","- C19 H28 N2 O -","- C76 H112 N8 O4 -","4","1","","Brian B. Liau; Matthew D. Shair","Total Synthesis of (+)-Fastigiatine","Journal of the American Chemical Society","2010","132","","9594","9595","10.1021/ja104575h","","","0.71073","MoKα","","0.0366","0.0356","","","0.0929","0.0938","","","","","","1.059","","","","has coordinates","178772","2020-10-21","18:00:00",""
"4102685","10.1608","0.0001","11.1669","0.0001","34.7339","0.0005","90","","90","","90","","3941.07","0.08","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H7 B Cl2 D2 F25 N -","- C40 H9 B Cl2 F25 N -","- C160 H36 B4 Cl8 F100 N4 -","4","1","","Cheng Fan; Lauren G. Mercier; Warren E. Piers; Heikki M. Tuononen; Masood Parvez","Dihydrogen Activation by Antiaromatic Pentaarylboroles","Journal of the American Chemical Society","2010","132","","9604","9606","10.1021/ja105075h","","","0.71073","MoKα","","0.0383","0.0374","","","0.1065","0.1079","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4102691","10.8824","0.0002","21.4579","0.0005","24.1065","0.0006","90","","90","","90","","5629.2","0.2","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H81 Br Fe N O P2 -","- C59 H81 Br Fe N O P2 -","- C236 H324 Br4 Fe4 N4 O4 P8 -","4","1","","Yumiko Nakajima; Yoshihide Nakao; Shigeyoshi Sakaki; Yoshinori Tamada; Teruo Ono; Fumiyuki Ozawa","Electronic Structure of Four-Coordinate Iron(I) Complex Supported by a Bis(phosphaethenyl)pyridine Ligand","Journal of the American Chemical Society","2010","132","","9934","9936","10.1021/ja102009n","","","0.71069","MoKα","","0.1165","0.0615","","","0.1008","0.1179","","","","","","1.01","","","","has coordinates,has disorder","178772","2020-10-21","18:00:00",""
"4102697","15.3688","0.0005","23.8539","0.001","24.8502","0.001","90","","90","","90","","9110.2","0.6","123.1","","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C119 H84 Cl2 Fe2 N6 O4 -","- C119 H84 Cl2 Fe2 N6 O4 -","- C476 H336 Cl8 Fe8 N24 O16 -","4","1","","Tatsuhiko Honda; Tatsuaki Nakanishi; Kei Ohkubo; Takahiko Kojima; Shunichi Fukuzumi","Structure and Photoinduced Electron Transfer Dynamics of a Series of Hydrogen-Bonded Supramolecular Complexes Composed of Electron Donors and a Saddle-Distorted Diprotonated Porphyrin","Journal of the American Chemical Society","2010","132","","10155","10163","10.1021/ja103889f","","","0.7107","MoKα","","","0.0693","","","","0.1922","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102728","7.519","0.003","23.234","0.009","28.731","0.011","90","","90","","90","","5019","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Fe2 P S -","- C30 H27 Fe2 P S -","- C240 H216 Fe16 P8 S8 -","8","2","","Yu Li; Mira Josowicz; Laren M. Tolbert","Diferrocenyl Molecular Wires. The Role of Heteroatom Linkers","Journal of the American Chemical Society","2010","132","","10374","10382","10.1021/ja101585z","","","0.71073","MoKα","","0.1073","0.0943","","","0.2066","0.2146","","","","","","1.041","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102753","6.6693","0.0002","7.8743","0.0004","30.0251","0.0012","90","","90","","90","","1576.8","0.11","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl O2 -","- C18 H25 Cl O2 -","- C72 H100 Cl4 O8 -","4","1","","Yu-Jun Zhao; Bin Li; Li-Jun Serena Tan; Zhi-Liang Shen; Teck-Peng Loh","Enantioselective Cationic Polyene Cyclization vs Enantioselective Intramolecular Carbonyl-Ene Reaction","Journal of the American Chemical Society","2010","132","","10242","10244","10.1021/ja104119j","","","0.71073","MoKα","","0.0447","0.0373","","","0.0916","0.1043","","","","","","1.087","","","","has coordinates","178773","2020-10-21","18:00:00",""
"4102803","7.5448","0.0002","10.5798","0.0004","11.1164","0.0004","90","","90","","90","","887.34","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","1","","Matthew D. Shoulders; Frank W. Kotch; Amit Choudhary; Ilia A. Guzei; Ronald T. Raines","The Aberrance of the 4S Diastereomer of 4-Hydroxyproline","Journal of the American Chemical Society","2010","132","","10857","10865","10.1021/ja103082y","","","1.54178","Cu-Kα","","0.0411","0.0381","","","0.1003","0.1022","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102805","12.7699","0.0001","13.8445","0.0001","19.5705","0.0001","90","","90","","90","","3459.93","0.04","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 Cl3 Cu2 N2 O4 P2 -","- C33 H33 Cl3 Cu2 N2 O4 P2 -","- C132 H132 Cl12 Cu8 N8 O16 P8 -","4","1","","Jesús García-López; Víctor Yañez-Rodríguez; Laura Roces; Santiago García-Granda; Ana Martínez; Alfredo Guevara-García; German R. Castro; Félix Jiménez-Villacorta; María J. Iglesias; Fernando López Ortiz","Synthesis and Characterization of a Coupled Binuclear CuI/CuIII Complex","Journal of the American Chemical Society","2010","132","","10665","10667","10.1021/ja1034667","","","1.5418","CuKα","","0.0393","0.0359","","","0.1097","0.1178","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102812","9.3195","0.0011","10.599","0.0012","24.308","0.003","90","","90","","90","","2401.1","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C124 H100 N4 O12 -","4","1","","Shunxi Dong; Xiaohua Liu; Xiaohong Chen; Fang Mei; Yulong Zhang; Bo Gao; Lili Lin; Xiaoming Feng","Chiral Bisguanidine-Catalyzed Inverse-Electron-Demand Hetero-Diels-Alder Reaction of Chalcones with Azlactones","Journal of the American Chemical Society","2010","132","","10650","10651","10.1021/ja1046928","","","1.54186","CuKα","","0.0332","0.031","","","0.0729","0.0737","","","","","","1.143","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102816","8.872","0.0018","11.618","0.002","18.212","0.004","90","","90","","90","","1877.2","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ZHAO1785","","","- C12 H34 B2 N2 O6 -","- C12 H34 B2 N2 O6 -","- C48 H136 B8 N8 O24 -","4","1","","Xuenian Chen; Ji-Cheng Zhao; Sheldon G. Shore","Facile Synthesis of Aminodiborane and Inorganic Butane Analogue NH3BH2NH2BH3","Journal of the American Chemical Society","2010","132","","10658","10659","10.1021/ja104938v","","","0.71073","MoKα","","0.0373","0.0317","","","0.0805","0.0838","","","","","","1.04","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102832","9.2517","0.0008","10.7629","0.001","19.7165","0.0017","90","","90","","90","","1963.3","0.3","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 O P -","- C23 H27 O P -","- C92 H108 O4 P4 -","4","1","","Xiaoqiang Shen; Gavin O. Jones; Donald A. Watson; Brijesh Bhayana; Stephen L. Buchwald","Enantioselective Synthesis of Axially Chiral Biaryls by the Pd-Catalyzed Suzuki-Miyaura Reaction: Substrate Scope and Quantum Mechanical Investigations","Journal of the American Chemical Society","2010","132","","11278","11287","10.1021/ja104297g","","","0.71073","MoKα","","0.0447","0.0395","","","0.1024","0.1067","","","","","","1.034","","","","has coordinates,has disorder","178774","2020-10-21","18:00:00",""
"4102842","10.8506","0.0018","13.267","0.002","17.997","0.003","90","","90","","90","","2590.8","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 N O4 -","- C32 H29 N O4 -","- C128 H116 N4 O16 -","4","1","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0434","0.0341","","","0.071","0.0753","","","","","","1.021","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102845","9.3264","0.0014","14.781","0.002","18.711","0.003","90","","90","","90","","2579.4","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N4 O5 -","- C28 H29 N4 O5 -","- C112 H116 N16 O20 -","4","1","","Yvette S. Mimieux Vaske; Maximillian E. Mahoney; Joseph P. Konopelski; David L. Rogow; William J. McDonald","Enantiomerically Puretrans-β-Lactams from α-Amino Acids via Compact Fluorescent Light (CFL) Continuous-Flow Photolysis","Journal of the American Chemical Society","2010","132","","11379","11385","10.1021/ja1050023","","","0.71073","MoKα","","0.0431","0.0385","","","0.0986","0.1024","","","","","","1.066","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102855","6.946","0.0006","8.9632","0.0008","10.3522","0.0009","90","","90","","90","","644.51","0.1","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","","Xiaohua Li; Samuel J. Danishefsky","Cyclobutenone as a Highly Reactive Dienophile: Expanding Upon Diels-Alder Paradigms","Journal of the American Chemical Society","2010","132","","11004","11005","10.1021/ja1056888","","","0.71073","MoKα","","0.0368","0.0347","","","0.0911","0.0933","","","","","","1.069","","","","has coordinates","178774","2020-10-21","18:00:00",""
"4102865","5.3039","0.0002","9.4806","0.0005","23.0485","0.0011","90","","90","","90","","1158.97","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D(-)-luciferin","","","- C11 H8 N2 O3 S2 -","- C11 H8 N2 O3 S2 -","- C44 H32 N8 O12 S8 -","4","1","","Panče Naumov; Manoj Kochunnoonny","Spectral-Structural Effects of the Keto-Enol-Enolate and Phenol-Phenolate Equilibria of Oxyluciferin","Journal of the American Chemical Society","2010","132","","11566","11579","10.1021/ja102885g","","","0.71073","MoKα","","0.0538","0.0381","","","0.0843","0.0907","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102867","6.0196","0.0007","10.3193","0.0012","23.441","0.003","90","","90","","90","","1456.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D(-)-5,5-dimethylluciferin","","","- C13 H14 N2 O4 S2 -","- C13 H14 N2 O4 S2 -","- C52 H56 N8 O16 S8 -","4","1","","Panče Naumov; Manoj Kochunnoonny","Spectral-Structural Effects of the Keto-Enol-Enolate and Phenol-Phenolate Equilibria of Oxyluciferin","Journal of the American Chemical Society","2010","132","","11566","11579","10.1021/ja102885g","","","0.71073","MoKα","","0.03","0.025","","","0.054","0.0561","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102923","64.04","0.06","64.19","0.06","64.25","0.06","90","","90","","90","","264114","4","293","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C83 H115 Br N19 O23 -","- C338 Br2.65 N75.9 O182 -","- C4056 Br31.8 N910.8 O2184 -","12","3","","Omid Khakshoor; Aaron J. Lin; Tyler P. Korman; Michael R. Sawaya; Shiou-Chuan Tsai; David Eisenberg; James S. Nowick","X-ray Crystallographic Structure of an Artificial β-Sheet Dimer","Journal of the American Chemical Society","2010","132","","11622","11628","10.1021/ja103438w","","","0.97853","","","0.1504","","","","","","","","","","","","","","","has coordinates,has disorder","189821","2020-10-21","18:00:00",""
"4102930","5.057","0.004","6.437","0.006","43.83","0.04","90","","90","","90","","1427","2","93.1","","93.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N O3 -","- C15 H18 Br N O3 -","- C60 H72 Br4 N4 O12 -","4","1","","Masato Ito; Chika Kobayashi; Akio Himizu; Takao Ikariya","Highly Enantioselective Hydrogenative Desymmetrization of Bicyclic Imides Leading to Multiply Functionalized Chiral Cyclic Compounds","Journal of the American Chemical Society","2010","132","","11414","11415","10.1021/ja105048c","","","0.7107","MoKα","","","0.0222","","","","0.0767","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4102935","9.1093","0.0003","10.1239","0.0003","17.6114","0.0005","90","","90","","90","","1624.15","0.09","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 I N O -","- C17 H18 I N O -","- C68 H72 I4 N4 O4 -","4","1","","Achim Bruch; Andrea Ambrosius; Roland Fröhlich; Armido Studer; David B. Guthrie; Hanmo Zhang; Dennis P. Curran","Memory of Axial Chirality in Aryl Radical Phosphanylations","Journal of the American Chemical Society","2010","132","","11452","11454","10.1021/ja105070k","","","0.71073","MoKα","","0.046","0.0326","","","0.0681","0.0743","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4102938","9.171","0.004","10.99","0.005","23.442","0.011","90","","90","","90","","2362.7","1.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Br Cl2 N2 O -","- C22 H29 Br Cl2 N2 O -","- C88 H116 Br4 Cl8 N8 O4 -","4","1","","Qing-Feng Wu; Hu He; Wen-Bo Liu; Shu-Li You","Enantioselective Construction of Spiroindolenines by Ir-Catalyzed Allylic Alkylation Reactions","Journal of the American Chemical Society","2010","132","","11418","11419","10.1021/ja105111n","","","0.71073","MoKα","","0.1358","0.0694","","","0.1689","0.1852","","","","","","0.874","","","","has coordinates","178775","2020-10-21","18:00:00",""
"4102942","10.7017","0.0004","16.239","0.0007","20.6097","0.0009","90","","90","","90","","3581.7","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H55 Ir N2 P2 -","- C37 H55 Ir N2 P2 -","- C148 H220 Ir4 N8 P8 -","4","1","","Zheng Huang; Jianrong (Steve) Zhou; John F. Hartwig","N-H Activation of Hydrazines by Iridium(I). Double N-H Activation To Form Iridium Aminonitrene Complexes","Journal of the American Chemical Society","2010","132","","11458","11460","10.1021/ja1053835","","","0.71073","MoKα","","0.0267","0.0221","","","0.0393","0.0405","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4102953","5.0151","0.0018","16.013","0.006","22.861","0.008","90","","90","","90","","1835.9","1.1","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C84 H100 N4 O8 -","4","1","","Maryll E. Geherty; Robert D. Dura; Scott G. Nelson","Catalytic Asymmetric Claisen Rearrangement of Unactivated Allyl Vinyl Ethers","Journal of the American Chemical Society","2010","132","","11875","11877","10.1021/ja1039314","","","0.71073","MoKα","","0.1151","0.0739","","","0.1629","0.1812","","","","","","1.046","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102954","5.0268","0.0012","15.831","0.004","22.862","0.006","90","","90","","90","","1819.3","0.8","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Br N O -","- C20 H22 Br N O -","- C80 H88 Br4 N4 O4 -","4","1","","Maryll E. Geherty; Robert D. Dura; Scott G. Nelson","Catalytic Asymmetric Claisen Rearrangement of Unactivated Allyl Vinyl Ethers","Journal of the American Chemical Society","2010","132","","11875","11877","10.1021/ja1039314","","","0.71073","MoKα","","0.114","0.0618","","","0.1292","0.1474","","","","","","0.922","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102958","13.773","0.002","24.303","0.004","24.367","0.004","90","","90","","90","","8156","2","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 B2 Cl3 Co N6 O6 S4 -","- C35 H35 B2 Cl3 Co N6 O6 S4 -","- C280 H280 B16 Cl24 Co8 N48 O48 S32 -","8","2","","Wenjun Liu; Weijie Huang; Maren Pink; Dongwhan Lee","Layer-by-Layer Synthesis of Metal-Containing Conducting Polymers: Caged Metal Centers for Interlayer Charge Transport","Journal of the American Chemical Society","2010","132","","11844","11846","10.1021/ja104038s","","","0.71073","MoKα","","0.1098","0.0649","","","0.152","0.1766","","","","","","1.025","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4102997","18.0506","0.0013","20.7398","0.0015","22.5954","0.0016","90","","90","","90","","8458.9","1.1","100","0.1","100","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","6b","","","- C82 H92 Au3 Cl8 Cu2 N O6 P2 -","- C82 H92 Au3 Cl8 Cu2 N O6 P2 -","- C328 H368 Au12 Cl32 Cu8 N4 O24 P8 -","4","1","","Gerald F. Manbeck; William W. Brennessel; Robert A. Stockland; Richard Eisenberg","Luminescent Au(I)/Cu(I) Alkynyl Clusters with an Ethynyl Steroid and Related Aliphatic Ligands: An Octanuclear Au4Cu4 Cluster and Luminescence Polymorphism in Au3Cu2 Clusters","Journal of the American Chemical Society","2010","132","","12307","12318","10.1021/ja103400e","","","0.71073","MoKα","","0.093","0.0496","","","0.1084","0.126","","","","","","1.026","","","","has coordinates,has disorder","178775","2020-10-21","18:00:00",""
"4103007","6.709","0.002","11.712","0.004","23.352","0.007","90","","90","","90","","1834.9","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 S -","- C20 H26 O4 S -","- C80 H104 O16 S4 -","4","1","","Jimmie D. Weaver; Being J. Ka; David K. Morris; Ward Thompson; Jon A. Tunge","Stereospecific Decarboxylative Allylation of Sulfones","Journal of the American Chemical Society","2010","132","","12179","12181","10.1021/ja104196x","","","0.71073","MoKα","","0.0599","0.0496","","","0.0879","0.0913","","","","","","0.987","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103064","6.0604","0.0012","10.0127","0.0019","24.814","0.005","90","","90","","90","","1505.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 F5 N O2 -","- C15 H12 F5 N O2 -","- C60 H48 F20 N4 O8 -","4","1","","Shifa Zhu; Xue Xu; Jason A. Perman; X. Peter Zhang","A General and Efficient Cobalt(II)-Based Catalytic System for Highly Stereoselective Cyclopropanation of Alkenes with α-Cyanodiazoacetates","Journal of the American Chemical Society","2010","132","","12796","12799","10.1021/ja1056246","","","1.54178","CuKα","","0.053","0.051","","","0.1296","0.1364","","","","","","1.085","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103066","6.1618","0.0007","12.7291","0.0014","15.3398","0.0017","90","","90","","90","","1203.2","0.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-hydroxy-2-phenyl-2,3,3a,4,7,7a-hexahydro-1H-4,7-methanoisoindol-1-one","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Satoshi Takebayashi; Jeremy M. John; Steven H. Bergens","Desymmetrization of meso-Cyclic Imides via Enantioselective Monohydrogenation","Journal of the American Chemical Society","2010","132","","12832","12834","10.1021/ja105783u","","","0.71073","MoKα","","0.0411","0.0358","","","0.083","0.0866","","","","","","1.062","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103067","6.1944","0.0004","12.7213","0.0008","15.5031","0.0009","90","","90","","90","","1221.66","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 F N O2 -","- C15 H14 F N O2 -","- C60 H56 F4 N4 O8 -","4","1","","Satoshi Takebayashi; Jeremy M. John; Steven H. Bergens","Desymmetrization of meso-Cyclic Imides via Enantioselective Monohydrogenation","Journal of the American Chemical Society","2010","132","","12832","12834","10.1021/ja105783u","","","0.71073","MoKα","","0.0304","0.0295","","","0.0799","0.081","","","","","","1.071","","","","has coordinates","178776","2020-10-21","18:00:00",""
"4103074","11.81","0.002","14.161","0.003","28.699","0.005","90","","90","","90","","4799.7","1.5","123","2","123","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56.33 H52.65 Cl0.65 F4 N O Rh Si -","- C56.325 H52.65 Cl0.65 F4 N O Rh Si -","- C225.3 H210.6 Cl2.6 F16 N4 O4 Rh4 Si4 -","4","1","","Takahiro Nishimura; Hiroki Makino; Makoto Nagaosa; Tamio Hayashi","Rhodium-Catalyzed Enantioselective 1,6-Addition of Arylboronic Acids to Enynamides: Asymmetric Synthesis of Axially Chiral Allenylsilanes","Journal of the American Chemical Society","2010","132","","12865","12867","10.1021/ja1066509","","","0.71075","MoKα","","0.0463","0.0407","","","0.0895","0.0927","","","","","","1.011","","","","has coordinates,has disorder","178776","2020-10-21","18:00:00",""
"4103117","18.014","0.004","24.694","0.005","26.113","0.005","90","","90","","90","","11616","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37.75 N2 O7 -","- C31 H37.75 N2 O7 -","- C496 H604 N32 O112 -","16","4","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.152","0.0784","","","0.1919","0.2458","","","","","","0.992","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103118","8.8278","0.0018","16.708","0.003","30.252","0.006","90","","90","","90","","4462","1.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C192 H240 N16 O40 -","8","2","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0778","0.0614","","","0.1359","0.1439","","","","","","1.117","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103120","15.515","0.003","16.884","0.003","17.999","0.004","90","","90","","90","","4714.9","1.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Cl N2 O5 -","- C24 H31 Cl N2 O5 -","- C192 H248 Cl8 N16 O40 -","8","2","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0698","0.0595","","","0.1313","0.136","","","","","","1.156","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103121","15.716","0.003","16.897","0.003","18.545","0.004","90","","90","","90","","4924.7","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 I N2 O5 -","- C24 H31 I N2 O5 -","- C192 H248 I8 N16 O40 -","8","2","","Yoshikazu Sasaki; Daisuke Kato; Dale L. Boger","Asymmetric Total Synthesis of Vindorosine, Vindoline, and Key Vinblastine Analogues","Journal of the American Chemical Society","2010","132","","13533","13544","10.1021/ja106284s","","","0.71073","MoKα","","0.0506","0.0445","","","0.1113","0.116","","","","","","1.064","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103134","9.4012","0.0005","10.2413","0.0004","17.7652","0.0008","90","","90","","90","","1710.44","0.14","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 B N O3 -","- C19 H26 B N O3 -","- C76 H104 B4 N4 O12 -","4","1","","Toshimichi Ohmura; Tomotsugu Awano; Michinori Suginome","Stereospecific Suzuki-Miyaura Coupling of Chiral α-(Acylamino)benzylboronic Esters with Inversion of Configuration","Journal of the American Chemical Society","2010","132","","13191","13193","10.1021/ja106632j","","","0.71075","MoKα","","0.0687","0.0402","","","0.0747","0.0919","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103135","5.6619","0.0003","10.3717","0.0006","30.2873","0.0014","90","","90","","90","","1778.58","0.16","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Cl N O2 -","- C22 H20 Cl N O2 -","- C88 H80 Cl4 N4 O8 -","4","1","","Toshimichi Ohmura; Tomotsugu Awano; Michinori Suginome","Stereospecific Suzuki-Miyaura Coupling of Chiral α-(Acylamino)benzylboronic Esters with Inversion of Configuration","Journal of the American Chemical Society","2010","132","","13191","13193","10.1021/ja106632j","","","0.71075","MoKα","","0.0317","0.0292","","","0.0715","0.0732","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103143","17.6713","0.0007","23.1701","0.0009","28.4113","0.0011","90","","90","","90","","11632.9","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 F12 N3 O2 S -","- C26 H23 F12 N3 O2 S -","- C416 H368 F192 N48 O32 S16 -","16","4","","Eric G. Klauber; Chandra Kanta De; Tejas K. Shah; Daniel Seidel","Merging Nucleophilic and Hydrogen Bonding Catalysis: An Anion Binding Approach to the Kinetic Resolution of Propargylic Amines","Journal of the American Chemical Society","2010","132","","13624","13626","10.1021/ja105337h","","","0.71073","MoKα","","0.1346","0.0778","","","0.1667","0.1877","","","","","","1.024","","","","has coordinates,has disorder","178777","2020-10-21","18:00:00",""
"4103147","13.8731","0.0011","20.8602","0.0017","21.8492","0.0018","90","","90","","90","","6323.1","0.9","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C81 H66 Br Fe N2 O6 -","- C81 H62 Br Fe N2 O6 -","- C324 H248 Br4 Fe4 N8 O24 -","4","1","","Hiromichi Egami; Kenji Matsumoto; Takuya Oguma; Takashi Kunisu; Tsutomu Katsuki","Enantioenriched Synthesis of C1-Symmetric BINOLs: Iron-Catalyzed Cross-Coupling of 2-Naphthols and Some Mechanistic Insight","Journal of the American Chemical Society","2010","132","","13633","13635","10.1021/ja105442m","","","0.71073","MoKα","","0.0607","0.0427","","","0.0947","0.1022","","","","","","0.998","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103165","6.5667","0.0006","15.2297","0.0014","18.5936","0.0018","90","","90","","90","","1859.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 O P S -","- C19 H25 O P S -","- C76 H100 O4 P4 S4 -","4","1","","Jonathan J. Gammon; Viktoria H. Gessner; Greg R. Barker; Johan Granander; Adrian C. Whitwood; Carsten Strohmann; Peter O'Brien; Brian Kelly","Synthesis of P-Stereogenic Compounds via Kinetic Deprotonation and Dynamic Thermodynamic Resolution of Phosphine Sulfides: Opposite Sense of Induction Using (-)-Sparteine","Journal of the American Chemical Society","2010","132","","13922","13927","10.1021/ja1060966","","","0.71073","MoKα","","0.0374","0.035","","","0.0918","0.094","","","","","","1.066","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103166","11.5593","0.0008","11.6886","0.0008","33.86","0.002","90","","90","","90","","4574.9","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H40 Li N2 P S -","- C21 H40 Li N2 P S -","- C168 H320 Li8 N16 P8 S8 -","8","2","","Jonathan J. Gammon; Viktoria H. Gessner; Greg R. Barker; Johan Granander; Adrian C. Whitwood; Carsten Strohmann; Peter O'Brien; Brian Kelly","Synthesis of P-Stereogenic Compounds via Kinetic Deprotonation and Dynamic Thermodynamic Resolution of Phosphine Sulfides: Opposite Sense of Induction Using (-)-Sparteine","Journal of the American Chemical Society","2010","132","","13922","13927","10.1021/ja1060966","","","0.71073","MoKα","","0.0533","0.0469","","","0.1118","0.1187","","","","","","1.065","","","","has coordinates","178777","2020-10-21","18:00:00",""
"4103168","10.5593","0.0002","18.815","0.0004","22.6797","0.0005","90","","90","","90","","4505.85","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H65 Cl3 N4 O7 -","- C39 H65 Cl3 N4 O7 -","- C156 H260 Cl12 N16 O28 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","0.71073","Mo-Kα","","0.042","0.0348","","","0.0869","0.0944","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103171","10.6925","0.0013","25.843","0.003","30.397","0.004","90","","90","","90","","8399.5","1.8","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H104 N8 O11 -","- C68 H104 N8 O11 -","- C272 H416 N32 O44 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of 12-Helical Secondary Structure in β-Peptides Containing Side Chain Groups","Journal of the American Chemical Society","2010","132","","13879","13885","10.1021/ja1062532","","","0.71073","Mo-Kα","","0.1079","0.0993","","","0.2633","0.2706","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4103219","7.4514","0.0002","11.2179","0.0003","22.8043","0.0006","90","","90","","90","","1906.19","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Br N O4 -","- C19 H26 Br N O4 -","- C76 H104 Br4 N4 O16 -","4","1","","Željko Skoko; Sharona Zamir; Panče Naumov; Joel Bernstein","The Thermosalient Phenomenon. ""Jumping Crystals"" and Crystal Chemistry of the Anticholinergic Agent Oxitropium Bromide","Journal of the American Chemical Society","2010","132","","14191","14202","10.1021/ja105508b","","","0.71073","MoKα","","0.0881","0.0461","","","0.1019","0.1246","","","","","","1.047","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103220","7.3927","0.0002","10.1512","0.0004","24.6291","0.0009","90","","90","","90","","1848.29","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Br N O4 -","- C19 H26 Br N O4 -","- C76 H104 Br4 N4 O16 -","4","1","","Željko Skoko; Sharona Zamir; Panče Naumov; Joel Bernstein","The Thermosalient Phenomenon. ""Jumping Crystals"" and Crystal Chemistry of the Anticholinergic Agent Oxitropium Bromide","Journal of the American Chemical Society","2010","132","","14191","14202","10.1021/ja105508b","","","0.71073","MoKα","","0.0517","0.0321","","","0.0695","0.0764","","","","","","1.019","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103221","7.4709","0.0007","11.2277","0.0011","22.7979","0.0018","90","0.005","90","0.005","90","0.005","1912.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Br N O4 -","- C19 H26 Br N O4 -","- C76 H104 Br4 N4 O16 -","4","1","","Željko Skoko; Sharona Zamir; Panče Naumov; Joel Bernstein","The Thermosalient Phenomenon. ""Jumping Crystals"" and Crystal Chemistry of the Anticholinergic Agent Oxitropium Bromide","Journal of the American Chemical Society","2010","132","","14191","14202","10.1021/ja105508b","","","0.71073","MoKα","","0.1348","0.0528","","","0.1055","0.1329","","","","","","0.968","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103253","9.5247","0.0012","18.891","0.002","19.036","0.002","90","","90","","90","","3425.2","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl N O Si Zr -","- C40 H40 Cl N O Si Zr -","- C160 H160 Cl4 N4 O4 Si4 Zr4 -","4","1","","Shaoguang Zhang; Wen-Xiong Zhang; Jing Zhao; Zhenfeng Xi","Cleavage and Reorganization of Zr-C/Si-C Bonds Leading to Zr/Si-N Organometallic and Heterocyclic Compounds","Journal of the American Chemical Society","2010","132","","14042","14045","10.1021/ja1074932","","","0.71073","MoKα","","0.0568","0.0533","","","0.0989","0.1007","","","","","","1.134","","","","has coordinates","178778","2020-10-21","18:00:00",""
"4103319","7.7828","0.0001","19.4165","0.0004","24.7658","0.0005","90","","90","","90","","3742.48","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 N6 O7 S7.77 -","- C33 H34 N6 O7 S7.771 -","- C132 H136 N24 O28 S31.084 -","4","1","","Justin Kim; Mohammad Movassaghi","General Approach to Epipolythiodiketopiperazine Alkaloids: Total Synthesis of (+)-Chaetocins A and C and (+)-12,12'-Dideoxychetracin A","Journal of the American Chemical Society","2010","132","","14376","14378","10.1021/ja106869s","","","1.54178","CuKα","","0.0612","0.0569","","","0.1527","0.1568","","","","","","1.043","","","","has coordinates,has disorder","178779","2020-10-21","18:00:00",""
"4103320","13.502","0.003","13.892","0.003","40.821","0.008","90","","90","","90","","7657","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H64 B3 Cl4.5 N O9 -","- C80 H64 B3 Cl4.5 N O9 -","- C320 H256 B12 Cl18 N4 O36 -","4","1","","Gang Hu; Anil K. Gupta; Rui H. Huang; Munmun Mukherjee; William D. Wulff","Substrate-Induced Covalent Assembly of a Chemzyme and Crystallographic Characterization of a Chemzyme-Substrate Complex","Journal of the American Chemical Society","2010","132","","14669","14675","10.1021/ja1070224","","x-ray","0.71073","MoKα","","0.1296","0.0936","","","0.261","0.2928","","","","","","1.103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103342","10.1186","0.0011","10.389","0.0011","23.513","0.003","90","","90","","90","","2471.7","0.5","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 N2 O7 -","- C24 H38 N2 O7 -","- C96 H152 N8 O28 -","4","1","","Masahiro Hosoya; Yuko Otani; Masatoshi Kawahata; Kentaro Yamaguchi; Tomohiko Ohwada","Water-Stable Helical Structure of Tertiary Amides of Bicyclic β-Amino Acid Bearing 7-Azabicyclo[2.2.1]heptane. Full Control of Amide Cis-Trans Equilibrium by Bridgehead Substitution","Journal of the American Chemical Society","2010","132","","14780","14789","10.1021/ja1017877","","","0.71073","MoKα","","0.0433","0.0402","","","0.1018","0.1042","","","","","","1.044","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103353","6.9168","0.0002","17.2861","0.0004","20.1345","0.0007","90","","90","","90","","2407.37","0.12","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O4 S -","- C28 H23 N O4 S -","- C112 H92 N4 O16 S4 -","4","1","","Malek Nechab; Damien Campolo; Julien Maury; Patricia Perfetti; Nicolas Vanthuyne; Didier Siri; Michèle P. Bertrand","Memory of Chirality in Cascade Rearrangements of Enediynes","Journal of the American Chemical Society","2010","132","","14742","14744","10.1021/ja106668d","","x-ray","0.71073","MoKα","","0.1083","0.0569","","","0.1145","0.1339","","","","","","1.082","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103364","9.199","0.002","14.76","0.003","31.273","0.007","90","","90","","90","","4246.2","1.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H56 Cl N2 O3 P2 Rh -","- C45 H56 Cl N2 O3 P2 Rh -","- C180 H224 Cl4 N8 O12 P8 Rh4 -","4","1","","Amanda D. Worthy; Candice L. Joe; Thomas E. Lightburn; Kian L. Tan","Application of a Chiral Scaffolding Ligand in Catalytic Enantioselective Hydroformylation","Journal of the American Chemical Society","2010","132","","14757","14759","10.1021/ja107433h","","","0.71073","MoKα","","0.0706","0.0511","","","0.0858","0.0916","","","","","","1.054","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103379","11.7695","0.0002","16.4116","0.0003","19.4712","0.0002","90","","90","","90","","3760.99","0.1","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H22 Br4 F5 Mn N4 O2 -","- C41 H22 Br4 F5 Mn N4 O2 -","- C164 H88 Br16 F20 Mn4 N16 O8 -","4","1","","Anil Kumar; Israel Goldberg; Mark Botoshansky; Yekaterina Buchman; Zeev Gross","Oxygen Atom Transfer Reactions from Isolated (Oxo)manganese(V) Corroles to Sulfides","Journal of the American Chemical Society","2010","132","","15233","15245","10.1021/ja1050296","","","0.71073","MoKα","","0.0447","0.0332","","","0.0705","0.0748","","","","","","0.982","","","","has coordinates","178779","2020-10-21","18:00:00",""
"4103433","6.6773","0.0003","7.5444","0.0003","24.3301","0.001","90","","90","","90","","1225.66","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cl N O3 -","- C12 H10 Cl N O3 -","- C48 H40 Cl4 N4 O12 -","4","1","","Yun-Lin Liu; Bo-Lun Wang; Jun-Jie Cao; Long Chen; Yong-Xue Zhang; Chao Wang; Jian Zhou","Organocatalytic Asymmetric Synthesis of Substituted 3-Hydroxy-2-oxindoles via Morita-Baylis-Hillman Reaction","Journal of the American Chemical Society","2010","132","","15176","15178","10.1021/ja107858z","","","0.71073","MoKα","","0.04","0.0384","","","0.0942","0.0958","","","","","","1.051","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103438","7.4847","0.0016","7.9448","0.0017","23.465","0.005","90","","90","","90","","1395.3","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 Br F6 O2 -","- C13 H9 Br F6 O2 -","- C52 H36 Br4 F24 O8 -","4","1","","Ling Zhou; Chong Kiat Tan; Xiaojian Jiang; Feng Chen; Ying-Yeung Yeung","Asymmetric Bromolactonization Using Amino-thiocarbamate Catalyst","Journal of the American Chemical Society","2010","132","","15474","15476","10.1021/ja1048972","","","0.71073","MoKα","","0.0368","0.0322","","","0.0759","0.0773","","","","","","1.047","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103439","7.0374","0.0013","9.0419","0.0017","15.633","0.003","90","","90","","90","","994.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Br O2 -","- C9 H15 Br O2 -","- C36 H60 Br4 O8 -","4","1","","Ling Zhou; Chong Kiat Tan; Xiaojian Jiang; Feng Chen; Ying-Yeung Yeung","Asymmetric Bromolactonization Using Amino-thiocarbamate Catalyst","Journal of the American Chemical Society","2010","132","","15474","15476","10.1021/ja1048972","","","0.71073","MoKα","","0.0256","0.0241","","","0.0558","0.0563","","","","","","1.047","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103441","6.121","0.002","14.951","0.005","23.343","0.005","90","","90","","90","","2136.2","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H0.25 O7.5 -","- C21 H26 O8 -","- C84 H104 O32 -","4","1","","Mélissa Boultadakis-Arapinis; Pascale Lemoine; Serge Turcaud; Laurent Micouin; Thomas Lecourt","Rh(II) Carbene-Promoted Activation of the Anomeric C-H Bond of Carbohydrates: A Stereospecific Entry toward α- and β-Ketopyranosides","Journal of the American Chemical Society","2010","132","","15477","15479","10.1021/ja1054065","","","0.71073","MoKα","","0.1628","0.0411","","","0.0776","0.1038","","","","","","0.899","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103461","7.112","0.0001","12.9684","0.001","16.4161","0.0002","90","","90","","90","","1514.08","0.12","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C60 H72 N8 O20 -","4","1","","Yuan-Qing Fang; Matthew M. Bio; Karl B. Hansen; Matthew S. Potter; Andrew Clausen","Magnesium Coordination-Directed N-Selective Stereospecific Alkylation of 2-Pyridones, Carbamates, and Amides Using α-Halocarboxylic Acids","Journal of the American Chemical Society","2010","132","","15525","15527","10.1021/ja107709w","","x-ray","1.54178","CuKα","","0.0262","0.0255","","","0.0626","0.0629","","","","","","0.983","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103462","5.4414","0.0002","9.7195","0.0005","16.8074","0.0006","90","","90","","90","","888.9","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Br N O3 -","- C8 H8 Br N O3 -","- C32 H32 Br4 N4 O12 -","4","1","","Yuan-Qing Fang; Matthew M. Bio; Karl B. Hansen; Matthew S. Potter; Andrew Clausen","Magnesium Coordination-Directed N-Selective Stereospecific Alkylation of 2-Pyridones, Carbamates, and Amides Using α-Halocarboxylic Acids","Journal of the American Chemical Society","2010","132","","15525","15527","10.1021/ja107709w","","x-ray","1.54178","CuKα","","0.0267","0.0264","","","0.0688","0.0689","","","","","","1.071","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103463","10.0655","0.0007","10.9316","0.0008","23.7249","0.0017","90","","90","","90","","2610.5","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H24 Br N O3 -","- C33 H24 Br N O3 -","- C132 H96 Br4 N4 O12 -","4","1","","Barry M. Trost; Lara C. Czabaniuk","Palladium-Catalyzed Asymmetric Benzylation of 3-Aryl Oxindoles","Journal of the American Chemical Society","2010","132","","15534","15536","10.1021/ja1079755","","","0.71073","MoKα","","0.0325","0.0258","","","0.0562","0.0579","","","","","","1.027","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103490","11.4329","0.0014","16.816","0.002","32.393","0.004","90","","90","","90","","6227.7","1.3","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C65 H72 Br2 Cl2 N4 O4 S2 -","- C65 H72 Br2 Cl2 N4 O4 S2 -","- C260 H288 Br8 Cl8 N16 O16 S8 -","4","1","","Tomoya Miura; Masao Morimoto; Masahiro Murakami","Enantioselective [2 + 2 + 2] Cycloaddition Reaction of Isocyanates and Allenes Catalyzed by Nickel","Journal of the American Chemical Society","2010","132","","15836","15838","10.1021/ja105541r","","","0.71075","MoKα","","0.1013","0.0785","","","0.1947","0.2101","","","","","","1.077","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103497","9.771","0.003","14.55","0.005","16.814","0.006","90","","90","","90","","2390.4","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H38 B10 Si -","- C17 H38 B10 Si -","- C68 H152 B40 Si4 -","4","1","","Zaozao Qiu; Zuowei Xie","Palladium/Nickel-Cocatalyzed Cycloaddition of 1,3-Dehydro-o-Carborane with Alkynes. Facile Synthesis of C,B-Substituted Carboranes","Journal of the American Chemical Society","2010","132","","16085","16093","10.1021/ja1058789","","","0.71073","MoKα","","0.0457","0.039","","","0.1079","0.1144","","","","","","1.049","","","","has coordinates","178780","2020-10-21","18:00:00",""
"4103553","9.319","0.003","14.771","0.004","23.304","0.002","90","","90","","90","","3207.8","1.4","293.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 N2 O5 Ru S -","- C35 H41 N2 O5 Ru S -","- C140 H164 N8 O20 Ru4 S4 -","4","1","","Ilya D. Gridnev; Masahito Watanabe; Hui Wang; Takao Ikariya","Mechanism of Enantioselective C-C Bond Formation with Bifunctional Chiral Ru Catalysts: NMR and DFT Study","Journal of the American Chemical Society","2010","132","","16637","16650","10.1021/ja107597w","","","0.7107","MoKα","","","0.086","","","","0.214","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103554","7.3861","0.0002","16.9714","0.0003","22.9921","0.0004","90","","90","","90","","2882.12","0.11","200","","200","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","1.54178","CuKα","","0.0558","0.0437","","","0.1109","0.1196","","","","","","1.042","","","","has coordinates,has disorder","178781","2020-10-21","18:00:00",""
"4103558","5.7856","0.0001","12.5864","0.0002","22.2215","0.0004","90","","90","","90","","1618.17","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Diem H. T. Phan; Kevin G. M. Kou; Vy M. Dong","Enantioselective Desymmetrization of Cyclopropenes by Hydroacylation","Journal of the American Chemical Society","2010","132","","16354","16355","10.1021/ja107738a","","","1.54178","CuKα","","0.0341","0.0324","","","0.0875","0.0898","","","","","","1.05","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103562","4.1295","0.0008","6.9199","0.0014","36.035","0.0072","90","","90","","90","","1029.7","0.4","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","","Shou-Fei Zhu; Xiao-Guang Song; Yu Li; Yan Cai; Qi-Lin Zhou","Enantioselective Copper-Catalyzed Intramolecular O-H Insertion: An Efficient Approach to Chiral 2-Carboxy Cyclic Ethers","Journal of the American Chemical Society","2010","132","","16374","16376","10.1021/ja1078464","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103571","7.749","0.0002","11.1967","0.0003","14.0827","0.0004","90","","90","","90","","1221.86","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N6 O4 -","- C10 H14 N6 O4 -","- C40 H56 N24 O16 -","4","1","","Matthew W. Powner; John D. Sutherland; Jack W. Szostak","Chemoselective Multicomponent One-Pot Assembly of Purine Precursors in Water","Journal of the American Chemical Society","2010","132","","16677","16688","10.1021/ja108197s","","","0.71073","MoKα","","0.0305","0.0302","","","0.0779","0.0781","","","","","","1.021","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103577","9.6826","0.0002","16.0482","0.0004","19.6919","0.0005","90","","90","","90","","3059.89","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N3 O8 -","- C30 H41 N3 O8 -","- C120 H164 N12 O32 -","4","1","","Lisa A. Marcaurelle; Eamon Comer; Sivaraman Dandapani; Jeremy R. Duvall; Baudouin Gerard; Sarathy Kesavan; Maurice D. Lee; Haibo Liu; Jason T. Lowe; Jean-Charles Marie; Carol A. Mulrooney; Bhaumik A. Pandya; Ann Rowley; Troy D. Ryba; Byung-Chul Suh; Jingqiang Wei; Damian W. Young; Lakshmi B. Akella; Nathan T. Ross; Yan-Ling Zhang; Daniel M. Fass; Surya A. Reis; Wen-Ning Zhao; Stephen J. Haggarty; Michelle Palmer; Michael A. Foley","An Aldol-Based Build/Couple/Pair Strategy for the Synthesis of Medium- and Large-Sized Rings: Discovery of Macrocyclic Histone Deacetylase Inhibitors","Journal of the American Chemical Society","2010","132","","16962","16976","10.1021/ja105119r","","","1.54178","CuKα","","0.0267","0.0264","","","0.0687","0.069","","","","","","1.059","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103578","9.4979","0.0002","14.121","0.0003","25.283","0.0004","90","","90","","90","","3390.95","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 N3 O9 -","- C35 H49 N3 O9 -","- C140 H196 N12 O36 -","4","1","","Lisa A. Marcaurelle; Eamon Comer; Sivaraman Dandapani; Jeremy R. Duvall; Baudouin Gerard; Sarathy Kesavan; Maurice D. Lee; Haibo Liu; Jason T. Lowe; Jean-Charles Marie; Carol A. Mulrooney; Bhaumik A. Pandya; Ann Rowley; Troy D. Ryba; Byung-Chul Suh; Jingqiang Wei; Damian W. Young; Lakshmi B. Akella; Nathan T. Ross; Yan-Ling Zhang; Daniel M. Fass; Surya A. Reis; Wen-Ning Zhao; Stephen J. Haggarty; Michelle Palmer; Michael A. Foley","An Aldol-Based Build/Couple/Pair Strategy for the Synthesis of Medium- and Large-Sized Rings: Discovery of Macrocyclic Histone Deacetylase Inhibitors","Journal of the American Chemical Society","2010","132","","16962","16976","10.1021/ja105119r","","","1.54178","CuKα","","0.0268","0.0267","","","0.0677","0.0677","","","","","","1.061","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103587","9.6642","0.0007","16.121","0.0011","29.301","0.002","90","","90","","90","","4565","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H52 Fe N2 -","- C57 H52 Fe N2 -","- C228 H208 Fe4 N8 -","4","1","","Bin Hu; Meng Meng; Zheng Wang; Wenting Du; John S. Fossey; Xinquan Hu; Wei-Ping Deng","A Highly Selective Ferrocene-Based Planar Chiral PIP (Fc-PIP) Acyl Transfer Catalyst for the Kinetic Resolution of Alcohols","Journal of the American Chemical Society","2010","132","","17041","17044","10.1021/ja108238a","","","0.71073","MoKα","","0.0818","0.0605","","","0.153","0.1629","","","","","","1.017","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103592","8.8119","0.0014","12.913","0.002","24.946","0.004","90","","90","","90","","2838.6","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","09046b","","","- C26 H42 Fe N4 O4 S2 -","- C26 H42 Fe N4 O4 S2 -","- C104 H168 Fe4 N16 O16 S8 -","4","1","","Aidan R. McDonald; Michael R. Bukowski; Erik R. Farquhar; Timothy A. Jackson; Kevin D. Koehntop; Mi Sook Seo; Raymond F. De Hont; Audria Stubna; Jason A. Halfen; Eckard Münck; Wonwoo Nam; Lawrence Que","Sulfur versus Iron Oxidation in an Iron-Thiolate Model Complex","Journal of the American Chemical Society","2010","132","","17118","17129","10.1021/ja1045428","","","0.71073","MoKα","","0.0487","0.0382","","","0.0765","0.0798","","","","","","1.068","","","","has coordinates","178781","2020-10-21","18:00:00",""
"4103654","5.8081","0.0003","12.9504","0.0005","45.9633","0.002","90","","90","","90","","3457.2","0.3","93.1","","93.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 N O8 -","- C39 H43 N O8 -","- C156 H172 N4 O32 -","4","1","","Yasuhiro Ishida; Ammathnadu S. Achalkumar; Shun-ya Kato; Yukiko Kai; Aya Misawa; Yumi Hayashi; Kuniyo Yamada; Yuki Matsuoka; Motoo Shiro; Kazuhiko Saigo","Tunable Chiral Reaction Media Based on Two-Component Liquid Crystals: Regio-, Diastereo-, and Enantiocontrolled Photodimerization of Anthracenecarboxylic Acids","Journal of the American Chemical Society","2010","132","","17435","17446","10.1021/ja105221u","","","1.54187","CuKα","","","0.0997","","","","0.2928","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103691","6.2641","0.0015","9.299","0.002","21.269","0.006","90","","90","","90","","1238.9","0.5","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 F N O2 S -","- C12 H14 F N O2 S -","- C48 H56 F4 N4 O8 S4 -","4","1","","Matthew H. Katcher; Abigail G. Doyle","Palladium-Catalyzed Asymmetric Synthesis of Allylic Fluorides","Journal of the American Chemical Society","2010","132","","17402","17404","10.1021/ja109120n","","","0.71073","MoKα","","0.0581","0.045","","","0.1027","0.1112","","","","","","1.041","","","","has coordinates","178782","2020-10-21","18:00:00",""
"4103710","13.467","0.002","18.827","0.004","20.082","0.004","90","","90","","90","","5091.7","1.7","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[K(DME{4)][tpaDFPFe]","","","- C49 H61 F6 Fe K N4 O8 -","- C49 H61 F6 Fe K N4 O8 -","- C196 H244 F24 Fe4 K4 N16 O32 -","4","1","","W. Hill Harman; T. David Harris; Danna E. Freedman; Henry Fong; Alicia Chang; Jeffrey D. Rinehart; Andrew Ozarowski; Moulay T. Sougrati; Fernande Grandjean; Gary J. Long; Jeffrey R. Long; Christopher J. Chang","Slow Magnetic Relaxation in a Family of trigonal Pyramidal Iron(II) Pyrrolide Complexes","Journal of the American Chemical Society","2010","132","","18115","18126","10.1021/ja105291x","","","0.71073","MoKα","","0.0864","0.048","","","0.0922","0.1042","","","","","","0.976","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103746","9.6931","0.0005","9.8584","0.0005","11.9252","0.0006","90","","90","","90","","1139.55","0.1","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 O2 -","- C14 H13 O2 -","- C56 H52 O8 -","4","1","","Kevin M. McQuaid; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Lewis Acid Catalyzed Alkylation Reactions by Direct Intramolecular Coupling of sp3 C-H Bonds and Reactive Alkenyl Oxocarbenium Intermediates","Journal of the American Chemical Society","2009","131","","402","403","10.1021/ja806068h","","","0.71073","MoKα","","0.0702","0.0582","","","0.1839","0.2002","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103748","17.451","0.004","17.675","0.005","21.505","0.006","90","","90","","90","","6633","3","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H79 Ag N4 O7 P2 -","- C70 H79 Ag N4 O7 P2 -","- C280 H316 Ag4 N16 O28 P8 -","4","1","","Laura C. Wieland; Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Ag-Catalyzed Diastereo- and Enantioselective Vinylogous Mannich Reactions of α-Ketoimine Esters. Development of a Method and Investigation of its Mechanism","Journal of the American Chemical Society","2009","131","","570","576","10.1021/ja8062315","","","0.71073","MoKα","","0.0352","0.0316","","","0.0861","0.0895","","","","","","1.029","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103749","8.8375","0.0016","11.63","0.002","18.584","0.003","90","","90","","90","","1910.1","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl N2 O5 -","- C20 H19 Cl N2 O5 -","- C80 H76 Cl4 N8 O20 -","4","1","","Laura C. Wieland; Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Ag-Catalyzed Diastereo- and Enantioselective Vinylogous Mannich Reactions of α-Ketoimine Esters. Development of a Method and Investigation of its Mechanism","Journal of the American Chemical Society","2009","131","","570","576","10.1021/ja8062315","","","0.71073","MoKα","","0.1139","0.0615","","","0.1043","0.1226","","","","","","0.995","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103750","6.4323","0.0002","9.5882","0.0002","23.5349","0.0006","90","","90","","90","","1451.5","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O5 -","- C15 H17 N O5 -","- C60 H68 N4 O20 -","4","1","","Laura C. Wieland; Erika M. Vieira; Marc L. Snapper; Amir H. Hoveyda","Ag-Catalyzed Diastereo- and Enantioselective Vinylogous Mannich Reactions of α-Ketoimine Esters. Development of a Method and Investigation of its Mechanism","Journal of the American Chemical Society","2009","131","","570","576","10.1021/ja8062315","","","1.54178","CuKα","","0.0242","0.0241","","","0.0628","0.0629","","","","","","1.049","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103753","7.7544","0.0011","11.0912","0.0015","22.122","0.003","90","","90","","90","","1902.6","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Fe N2 -","- C16 H36 Fe N2 -","- C64 H144 Fe4 N8 -","4","1","","William M. Reiff; Charles E. Schulz; Myung-Hwan Whangbo; Jung In Seo; Yoon Sup Lee; Gregory R. Potratz; Charles W. Spicer; Gregory S. Girolami","Consequences of a Linear Two-Coordinate Geometry for the Orbital Magnetism and Jahn-Teller Distortion Behavior of the High Spin Iron(II) Complex Fe[N(t-Bu)2]2","Journal of the American Chemical Society","2009","131","","404","405","10.1021/ja806660f","","","0.71073","MoKα","","0.0654","0.0338","","","0.0661","0.0744","","","","","","0.941","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103774","9.6731","0.0009","9.8036","0.0009","16.6299","0.0016","90","","90","","90","","1577","0.3","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N3 O5 V -","- C17 H13 N3 O5 V -","- C68 H52 N12 O20 V4 -","4","1","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; Andrew D. Sutton; David L. Thorn","Aerobic Oxidation of Pinacol by Vanadium(V) Dipicolinate Complexes: Evidence for Reduction to Vanadium(III)","Journal of the American Chemical Society","2009","131","","428","429","10.1021/ja807522n","","","0.71073","MoKα","","0.042","0.0321","","","0.0641","0.0672","","","","","","1.09","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103779","7.273","0.0006","8.7412","0.0008","20.8648","0.0018","90","","90","","90","","1326.5","0.2","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 F2 N O2 -","- C15 H17 F2 N O2 -","- C60 H68 F8 N4 O8 -","4","1","","Robert Webster; Christian Böing; Mark Lautens","Reagent-Controlled Regiodivergent Resolution of Unsymmetrical Oxabicyclic Alkenes Using a Cationic Rhodium Catalyst","Journal of the American Chemical Society","2009","131","","444","445","10.1021/ja807942m","","","1.54178","CuKα","","0.0547","0.0539","","","0.128","0.1301","","","","","","1.084","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103789","6.0476","0.0005","15.2453","0.0012","20.0851","0.0017","90","","90","","90","","1851.8","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Br O4 -","- C18 H27 Br O4 -","- C72 H108 Br4 O16 -","4","1","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71073","MoKα","","0.0401","0.0348","","","0.0711","0.0746","","","","","","1.081","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103790","6.06","0.003","22.39","0.006","40.762","0.012","90","","90","","90","","5531","4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Cl O4 -","- C18 H27 Cl O4 -","- C72 H108 Cl4 O16 -","4","1","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71073","MoKα","","0.0865","0.0581","","","0.1172","0.1374","","","","","","1.092","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103791","6.8584","0.0003","13.6465","0.0008","21.3782","0.0014","90","","90","","90","","2000.9","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 I O4 -","- C20 H29 I O4 -","- C80 H116 I4 O16 -","4","1","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71069","MoKα","","0.0278","0.026","","","0.0614","0.0625","","","","","","1.059","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103792","6.094","0.006","15.229","0.014","20.355","0.018","90","","90","","90","","1889","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 I O4 -","- C18 H27 I O4 -","- C72 H108 I4 O16 -","4","1","","Hun Young Kim; Luca Salvi; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Methods for the Synthesis of Halocyclopropyl Alcohols","Journal of the American Chemical Society","2009","131","","954","962","10.1021/ja806989n","","","0.71069","MoKα","","0.0243","0.0196","","","0.0288","0.0299","","","","","","0.744","","","","has coordinates","178783","2020-10-21","18:00:00",""
"4103811","4.3082","0.0001","7.1345","0.0002","18.6869","0.0009","90","","90","","90","","574.38","0.03","200","2","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cesium 5-azidotetrazolate","cesium 5-azidotetrazolate","","- C Cs N7 -","- C Cs N7 -","- C4 Cs4 N28 -","4","1","","Klapötke, Thomas M.; Stierstorfer, Jörg","The CN~7~^-^ anion","Journal of the American Chemical Society","2009","131","3","1122","1134","10.1021/ja8077522","","","0.71073","MoKα","","0.0275","0.0227","","","0.0394","0.0398","","","","","","0.918","","","","has coordinates","210875","2020-10-21","18:00:00",""
"4103866","10.745","0.0001","31.766","0.0003","12.5","0.0001","90","","90","","90","","4266.57","0.07","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H54 F N2 O3 P Ru -","- C47 H52 F N2 O3 P Ru -","- C188 H208 F4 N8 O12 P4 Ru4 -","4","1","","Steven P. Reade; Mary F. Mahon; Michael K. Whittlesey","Catalytic Hydrodefluorination of Aromatic Fluorocarbons by Ruthenium N-Heterocyclic Carbene Complexes","Journal of the American Chemical Society","2009","131","","1847","1861","10.1021/ja806545e","","","0.71073","MoKα","","0.0523","0.045","","","0.0978","0.1012","","","","","","1.076","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103885","6.3906","0.0002","10.7093","0.0002","39.9227","0.0006","90","","90","","90","","2732.26","0.11","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H37 N O3 Si -","- C29 H37 N O3 Si -","- C116 H148 N4 O12 Si4 -","4","1","","Yu-hong Lam; Paul Ha-Yeon Cheong; José M. Blasco Mata; Steven J. Stanway; Véronique Gouverneur; K. N. Houk","Diels-Alder Exo Selectivity in Terminal-Substituted Dienes and Dienophiles: Experimental Discoveries and Computational Explanations","Journal of the American Chemical Society","2009","131","","1947","1957","10.1021/ja8079548","","","0.71073","MoKα","","0.0606","0.0377","","0.0592","0.0411","0.0411","","","","","","1.0945","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4103895","9.6224","0.0002","17.514","0.0004","25.1564","0.0006","90","","90","","90","","4239.53","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Fe(TPP)(NO)(1-MeIm)].CHCl3","","","- C48.88 H34.88 Cl2.64 Fe N7 O -","- C48.8813 H34.8813 Cl2.6439 Fe N7 O -","- C195.525 H139.525 Cl10.5756 Fe4 N28 O4 -","4","1","","Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt","Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]","Journal of the American Chemical Society","2009","131","","2131","2140","10.1021/ja8055613","","","0.71073","MoKα","","0.0469","0.0384","","","0.0968","0.1019","","","","","","1.032","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103896","9.755","0.0003","17.7199","0.0005","25.3249","0.0007","90","","90","","90","","4377.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Fe(TPP)(NO)(1-MeIm)].CHCl3","","","- C48.74 H34.74 Cl2.23 Fe N7 O0.99 -","- C48.742 H34.742 Cl2.226 Fe N7 O0.991 -","- C194.968 H138.968 Cl8.904 Fe4 N28 O3.964 -","4","1","","Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt","Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]","Journal of the American Chemical Society","2009","131","","2131","2140","10.1021/ja8055613","","","0.71073","MoKα","","0.0739","0.0564","","","0.1702","0.1897","","","","","","1.059","","","","has coordinates,has disorder","178784","2020-10-21","18:00:00",""
"4103913","12.722","0.0015","13.0859","0.0015","14.9523","0.0017","90","","90","","90","","2489.2","0.5","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O3 -","- C11 H20 O3 -","- C88 H160 O24 -","8","2","","Amos B. Smith III; Todd Bosanac; Kallol Basu","Evolution of the Total Synthesis of (-)-Okilactomycin Exploiting a Tandem Oxy-Cope Rearrangement/Oxidation, a Petasis-Ferrier Union/Rearrangement, and Ring-Closing Metathesis","Journal of the American Chemical Society","2009","131","","2348","2358","10.1021/ja8084669","","","0.71069","MoKα","","0.0552","0.0472","","","0.1189","0.1268","","","","","","1.044","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103915","10.8093","0.0009","11.143","0.001","20.0215","0.0019","90","","90","","90","","2411.6","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 I O4 -","- C24 H37 I O4 -","- C96 H148 I4 O16 -","4","1","","Amos B. Smith III; Todd Bosanac; Kallol Basu","Evolution of the Total Synthesis of (-)-Okilactomycin Exploiting a Tandem Oxy-Cope Rearrangement/Oxidation, a Petasis-Ferrier Union/Rearrangement, and Ring-Closing Metathesis","Journal of the American Chemical Society","2009","131","","2348","2358","10.1021/ja8084669","","","0.71069","MoKα","","0.0359","0.0332","","","0.0746","0.0778","","","","","","1.063","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103919","8.3053","0.0003","13.0406","0.0003","16.4544","0.0005","90","","90","","90","","1782.11","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 Li N2 O Zn -","- C15 H29 Li N2 O Zn -","- C60 H116 Li4 N8 O4 Zn4 -","4","1","","William Clegg; Ben Conway; Eva Hevia; Matthew D. McCall; Luca Russo; Robert E. Mulvey","Closer Insight into the Reactivity of TMP-Dialkyl Zincates in Directed ortho-Zincation of Anisole: Experimental Evidence of Amido Basicity and Structural Elucidation of Key Reaction Intermediates","Journal of the American Chemical Society","2009","131","","2375","2384","10.1021/ja8087168","","","0.71073","MoKα","","0.0411","0.0288","","","0.0406","0.0425","","","","","","0.887","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103920","12.0463","0.0003","14.9178","0.0005","15.5281","0.0004","90","","90","","90","","2790.47","0.14","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H48 Li N3 O Zn -","- C24 H48 Li N3 O Zn -","- C96 H192 Li4 N12 O4 Zn4 -","4","1","","William Clegg; Ben Conway; Eva Hevia; Matthew D. McCall; Luca Russo; Robert E. Mulvey","Closer Insight into the Reactivity of TMP-Dialkyl Zincates in Directed ortho-Zincation of Anisole: Experimental Evidence of Amido Basicity and Structural Elucidation of Key Reaction Intermediates","Journal of the American Chemical Society","2009","131","","2375","2384","10.1021/ja8087168","","","0.71073","MoKα","","0.0619","0.0375","","","0.0748","0.0782","","","","","","0.933","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103926","9.636","0.002","11.622","0.003","15.13","0.004","90","","90","","90","","1694.4","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O -","- C20 H24 N O -","- C80 H96 N4 O4 -","4","1","","Jason A. Bexrud; Patrick Eisenberger; David C. Leitch; Philippa R. Payne; Laurel L. Schafer","Selective C-H Activation α to Primary Amines. Bridging Metallaaziridines for Catalytic, Intramolecular α-Alkylation","Journal of the American Chemical Society","2009","131","","2116","2118","10.1021/ja808862w","","","0.71073","MoKα","","0.0987","0.0717","","","0.1923","0.2197","","","","","","1.04","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103932","5.0792","0.001","15.951","0.003","24.316","0.005","90","","90","","90","","1970","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N O4 -","- C20 H21 Br N O4 -","- C80 H84 Br4 N4 O16 -","4","1","","K. C. Nicolaou; Rüdiger Reingruber; David Sarlah; Stefan Bräse","Enantioselective Intramolecular Friedel-Crafts-Type α-Arylation of Aldehydes","Journal of the American Chemical Society","2009","131","","2086","2087","10.1021/ja809405c","","","0.71073","MoKα","","0.1216","0.0708","","","0.1815","0.2168","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4103934","6.1427","0.0002","12.2134","0.0006","27.1155","0.0011","90","","90","","90","","2034.29","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Yu-Chia Hsu; Chun-Ming Ting; Rai-Shung Liu","Stereocontrolled Synthesis of Complicated Oxacyclic Compounds via Platinum-Catalyzed [4 + 2]-Cycloadditions and Annulations of Enynals with Allylic Alcohols","Journal of the American Chemical Society","2009","131","","2090","2091","10.1021/ja809560c","","","0.71073","MoKα","","0.1023","0.0876","","","0.2395","0.2544","","","","","","1.045","","","","has coordinates,has disorder","178785","2020-10-21","18:00:00",""
"4103942","7.2867","0.0001","10.3536","0.0002","19.1306","0.0003","90","","90","","90","","1443.28","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 I N O -","- C14 H24 I N O -","- C56 H96 I4 N4 O4 -","4","1","","José Barluenga; Eva Tudela; Alfredo Ballesteros; Miguel Tomás","Asymmetric C2-C3 Cyclopentannulation of the Indole Ring","Journal of the American Chemical Society","2009","131","","2096","2097","10.1021/ja809919t","","","1.54184","CuKα","","0.0364","0.0348","","","0.0967","0.113","","","","","","1.148","","","","has coordinates","178785","2020-10-21","18:00:00",""
"4103960","8.5572","0.001","27.653","0.003","36.266","0.004","90","","90","","90","","8581.7","1.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 N6 O9 -","- C40 H62 N6 O9 -","- C320 H496 N48 O72 -","8","2","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","Mo-Kα","","0.0851","0.0559","","","0.1127","0.1228","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4103964","17.5704","0.0013","19.5584","0.0014","26.6849","0.0019","90","","90","","90","","9170.2","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44.5 H68 N6 O9.5 -","- C44.5 H68 N6 O9.5 -","- C356 H544 N48 O76 -","8","2","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in 2:1 and 1:2 α/β-Peptides","Journal of the American Chemical Society","2009","131","","2917","2924","10.1021/ja808168y","","","0.71073","MoKα","","0.0865","0.0541","","","0.1262","0.1435","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104018","8.5577","0.0004","16.6991","0.0006","30.5536","0.0012","90","","90","","90","","4366.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Fe N6 -","- C24 H24 Fe N6 -","- C192 H192 Fe8 N48 -","8","2","","Brenda A. Frazier; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Unusual Electronic Features and Reactivity of the Dipyridylazaallyl Ligand: Characterizations of (smif)2M [M = Fe, Co, Co+, Ni; smif = {(2-py)CH}2N] and [(TMS)2NFe]2(smif)2","Journal of the American Chemical Society","2009","131","","3428","3429","10.1021/ja8089747","","","0.71073","MoKα","","0.056","0.0388","","","0.0708","0.0769","","","","","","1.035","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104025","14.142","0.004","20.476","0.007","23.569","0.011","90","","90","","90","","6825","4","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70.5 H90 Cl Co N7 O8.5 -","- C70.5 H90 Cl Co N7 O8.5 -","- C282 H360 Cl4 Co4 N28 O34 -","4","1","","Leigh, David A.; Lusby, Paul J.; McBurney, Roy T.; Morelli, Alessandra; Slawin, Alexandra M. Z.; Thomson, Andrew R.; Walker, D. Barney","Getting Harder: Cobalt(III)-Template Synthesis of Catenanes and Rotaxanes","Journal of the American Chemical Society","2009","131","10","3762","3771","10.1021/ja809627j","","","","","","0.135","","","","","","","","","","","","","","","has coordinates","219207","2020-10-21","18:00:00",""
"4104034","10.3937","0.0003","11.6798","0.0004","45.6145","0.0014","90","","90","","90","","5537.4","0.3","143.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C216 H252 Cl12 N24 O36 -","12","3","","Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki","Linking Structural Dynamics and Functional Diversity in Asymmetric Catalysis","Journal of the American Chemical Society","2009","131","","3779","3784","10.1021/ja900084k","","","1.54187","CuKα","","","0.0849","","","","0.2432","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104035","6.5984","0.0011","12.125","0.002","26.515","0.005","90","","90","","90","","2121.3","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br O3 -","- C24 H25 Br O3 -","- C96 H100 Br4 O12 -","4","1","","Minoru Uemura; Iain D. G. Watson; Mikimoto Katsukawa; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Synthesis of Benzopyrans via Rearrangement of Allylic Oxonium Intermediates","Journal of the American Chemical Society","2009","131","","3464","3465","10.1021/ja900155x","","","0.71073","MoKα","","0.0657","0.0387","","","0.0815","0.0935","","","","","","1.007","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104066","15.6934","0.0014","17.4648","0.0014","84.055","0.007","90","","90","","90","","23038","3","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C185 H305 N37 O58 S6 -","- C185 H291 N37 O58 S6 -","- C740 H1164 N148 O232 S24 -","4","1","","Naoki Ousaka; Tomohiro Sato; Reiko Kuroda","Total Helical-Sense Bias of an Achiral Peptide Main Chain Induced by a Chiral Side-Chain Bridge","Journal of the American Chemical Society","2009","131","","3820","3821","10.1021/ja8091714","","","0.71073","MoKα","","0.1218","0.0985","","","0.2056","0.2186","","","","","","1.072","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104081","10.4365","0.0007","17.1594","0.0012","20.0884","0.0013","90","","90","","90","","3597.5","0.4","153","1","153","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 N2 O7 P S2 -","- C36 H39 N2 O7 P S2 -","- C144 H156 N8 O28 P4 S8 -","4","1","","Jiming Zhang; Hua Wang; Ming Xian","An Unexpected Bis-ligation of S-Nitrosothiols","Journal of the American Chemical Society","2009","131","","3854","3855","10.1021/ja900370y","","","0.71073","MoKα","","0.0457","0.0447","","","0.1175","0.1184","","","","","","1.123","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104088","7.3767","0.0006","10.9197","0.0009","15.7341","0.0014","90","","90","","90","","1267.4","0.19","153","1","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 N O4 S -","- C14 H9 N O4 S -","- C56 H36 N4 O16 S4 -","4","1","","Takeo Fukuzumi; Jeffrey W. Bode","A Reagent for the Convenient, Solid-Phase Synthesis of N-Terminal Peptide Hydroxylamines for Chemoselective Ligations","Journal of the American Chemical Society","2009","131","","3864","3865","10.1021/ja900601c","","","0.71073","MoKα","","0.029","0.0284","","","0.0684","0.0692","","","","","","1.123","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104092","11.893","0.002","12.535","0.003","19.076","0.004","90","","90","","90","","2843.8","1","301","2","301","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O4 Ru -","- C30 H36 N2 O4 Ru -","- C120 H144 N8 O16 Ru4 -","4","1","","Zhen-Jiang Xu; Ran Fang; Cunyuan Zhao; Jie-Sheng Huang; Gong-Yong Li; Nianyong Zhu; Chi-Ming Che","cis-β-Bis(carbonyl) Ruthenium-Salen Complexes: X-ray Crystal Structures and Remarkable Catalytic Properties toward Asymmetric Intramolecular Alkene Cyclopropanation","Journal of the American Chemical Society","2009","131","","4405","4417","10.1021/ja8086399","","","0.71073","MoKα","","0.0268","0.0261","","","0.0765","0.077","","","","","","1.172","","","","has coordinates","178786","2020-10-21","18:00:00",""
"4104128","6.2981","0.0014","7.551","0.0016","25.114","0.006","90","","90","","90","","1194.3","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cl N O4 -","- C12 H10 Cl N O4 -","- C48 H40 Cl4 N4 O16 -","4","1","","Barry M. Trost; Julien Hitce","Direct Asymmetric Michael Addition to Nitroalkenes: Vinylogous Nucleophilicity under Dinuclear Zinc Catalysis","Journal of the American Chemical Society","2009","131","","4572","4573","10.1021/ja809723u","","","0.71073","MoKα","","0.0304","0.0275","","","0.0692","0.0706","","","","","","1.053","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104129","6.064","0.0009","10.0246","0.0015","19.24","0.003","90","","90","","90","","1169.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","08237b","","","- C12 H13 N O6 -","- C12 H13 N O6 -","- C48 H52 N4 O24 -","4","1","","Barry M. Trost; Julien Hitce","Direct Asymmetric Michael Addition to Nitroalkenes: Vinylogous Nucleophilicity under Dinuclear Zinc Catalysis","Journal of the American Chemical Society","2009","131","","4572","4573","10.1021/ja809723u","","","0.71073","MoKα","","0.0337","0.0293","","","0.0752","0.0785","","","","","","1.048","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104130","9.4272","0.0019","20.353","0.004","27.946","0.006","90","","90","","90","","5362","1.9","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H65 N7 O10 -","- C50 H65 N7 O10 -","- C200 H260 N28 O40 -","4","1","","Hayato Ishikawa; David A. Colby; Shigeki Seto; Porino Va; Annie Tam; Hiroyuki Kakei; Thomas J. Rayl; Inkyu Hwang; Dale L. Boger","Total Synthesis of Vinblastine, Vincristine, Related Natural Products, and Key Structural Analogues","Journal of the American Chemical Society","2009","131","","4904","4916","10.1021/ja809842b","","","0.71073","MoKα","","0.1648","0.0997","","","0.24","0.2796","","","","","","1.075","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104145","4.962","0.003","13.451","0.005","34.045","0.01","90","","90","","90","","2272.3","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","benzyl-6-chloro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-ylcarbamate","","- C24.44 H25.32 Cl N2 O2.72 -","- C23 H21 Cl N2 O2 -","- C92 H84 Cl4 N8 O8 -","4","1","","Hua Liu; Guillaume Dagousset; Géraldine Masson; Pascal Retailleau; Jieping Zhu","Chiral Brønsted Acid-Catalyzed Enantioselective Three-Component Povarov Reaction","Journal of the American Chemical Society","2009","131","","4598","4599","10.1021/ja900806q","","","0.71069","MoKα","","0.0823","0.0656","","","0.1635","0.1749","","","","","","1.105","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104155","6.6344","0.0002","10.9383","0.0002","27.119","0.0006","90","","90","","90","","1968","0.08","296","2","296","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","4-O-benzyl-6-O-tert-butyldimethylsilyl-D-(-)-glucal","","","- C19 H30 O4 Si -","- C19 H30 O4 Si -","- C76 H120 O16 Si4 -","4","1","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","1.54178","CuKα","","0.0273","0.0265","","","0.0683","0.0686","","","","","","1.055","","","","has coordinates","178787","2020-10-21","18:00:00",""
"4104156","4.57","0.0001","13.9439","0.0003","21.6237","0.0005","90","","90","","90","","1377.94","0.05","296","2","296","2","","","","","","","synthesized","3","P 21 21 21","P 2ac 2ab","19","4-O-benzyl-D-(-)-glucal","","","- C15 H18 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","1.54178","CuKα","","0.0521","0.0504","","","0.1476","0.15","","","","","","0.935","","","","has coordinates,has disorder","178787","2020-10-21","18:00:00",""
"4104158","6.7203","0.0003","10.1187","0.0004","18.5765","0.0008","90","","90","","90","","1263.21","0.09","100","2","100","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","1,6-anhydro-2-azido-4-O-benzyl-2-deoxy-β-D-glucopyranose","","","- C13 H15 N3 O4 -","- C13 H15 N3 O4 -","- C52 H60 N12 O16 -","4","1","","Dusan Hesek; Mijoon Lee; Weilie Zhang; Bruce C. Noll; Shahriar Mobashery","Total Synthesis of N-Acetylglucosamine-1,6-anhydro-N-acetylmuramylpentapeptide and Evaluation of Its Turnover by AmpD from Escherichia coli","Journal of the American Chemical Society","2009","131","","5187","5193","10.1021/ja808498m","","x-ray","1.54178","CuKα","","0.0259","0.0259","","","0.066","0.066","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104215","12.3231","0.0003","13.8581","0.0004","25.9692","0.0006","90","","90","","90","","4434.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H50 Al Cl3 N4 O3 Zn -","- C42 H50 Al Cl3 N4 O3 Zn -","- C168 H200 Al4 Cl12 N16 O12 Zn4 -","4","1","","Tomasz Kaczorowski; Iwona Justyniak; Teodozja Lipińska; Janusz Lipkowski; Janusz Lewiński","Metal Complexes of Cinchonine as Chiral Building Blocks: A Strategy for the Construction of Nanotubular Architectures and Helical Coordination Polymers","Journal of the American Chemical Society","2009","131","","5393","5395","10.1021/ja8098867","","","0.71073","MoKα","","0.0552","0.0495","","","0.1186","0.1234","","","","","","1.071","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104220","7.9321","0.0002","14.3792","0.0003","19.7073","0.0004","90","","90","","90","","2247.76","0.09","193","2","193","2","","","","","","","chemical synthesis","4","P 21 21 21","P 2ac 2ab","19","MeOlBrEta","(3Z,5E,8S,11E,14S)-5-(4-Bromobenzoyl)-4-ethyl-8,14- dimethyloxacyclotetradeca-3,5,11-trien-2-one","","- C24 H29 Br O3 -","- C24 H29 Br O3 -","- C96 H116 Br4 O12 -","4","1","","Tuoping Luo; Stuart L. Schreiber","Gold(I)-Catalyzed Coupling Reactions for the Synthesis of Diverse Small Molecules Using the Build/Couple/Pair Strategy","Journal of the American Chemical Society","2009","131","","5667","5674","10.1021/ja900414s","","","0.71073","MoKα","","0.0432","0.0337","","","0.0794","0.0832","","","","","","1.028","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104251","9.558","0.0011","26.278","0.003","27.434","0.003","90","","90","","90","","6890.5","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-Aib-Gpn-Leu-Phe-Val-OMe","","","- C63 H100 N8 O12 -","- C63 H100 N8 O12 -","- C252 H400 N32 O48 -","4","1","","Sunanda Chatterjee; Prema G. Vasudev; Srinivasarao Raghothama; Chandrasekharan Ramakrishnan; Narayanaswamy Shamala; Padmanabhan Balaram","Expanding the Peptide β-Turn in αγ Hybrid Sequences: 12 Atom Hydrogen Bonded Helical and Hairpin Turns","Journal of the American Chemical Society","2009","131","","5956","5965","10.1021/ja900618h","","","0.71073","MoKα","","0.145","0.1235","","","0.2948","0.3128","","","","","","1.087","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104254","6.705","0.002","7.022","0.002","34.126","0.01","90","","90","","90","","1606.7","0.8","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 O6 Si -","- C12 H26 O6 Si -","- C48 H104 O24 Si4 -","4","1","","Sang Min Lim; Nicholas Hill; Andrew G. Myers","A Method for the Preparation of Differentiatedtrans-1,2-Diol Derivatives with Enantio- and Diastereocontrol","Journal of the American Chemical Society","2009","131","","5763","5765","10.1021/ja901283q","","","0.71073","MoKα","","0.0722","0.0617","","","0.1086","0.1124","","","","","","1.159","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104275","9.568","0.0005","17.4909","0.0009","37.2389","0.0019","90","","90","","90","","6232","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Br4 P2 Pt -","- C26 H36 Br4 P2 Pt -","- C208 H288 Br32 P16 Pt8 -","8","2","","Bao-Yu Wang; Alice Raphael Karikachery; Yunjing Li; Anupam Singh; Han Baek Lee; Wenfang Sun; Paul R. Sharp","Remarkable Bromination and Blue Emission of 9-Anthracenyl Pt(II) Complexes","Journal of the American Chemical Society","2009","131","","3150","3151","10.1021/ja809046p","","","0.71073","MoKα","","0.0728","0.047","","","0.0982","0.1095","","","","","","1.025","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104287","15.021","0.003","15.613","0.002","49.722","0.009","90","","90","","90","","11661","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C103 H128 B6 Cl16 N6 O12 -","- C103 H128 B6 Cl16 N6 O12 -","- C412 H512 B24 Cl64 N24 O48 -","4","1","","Burçak Içli; Nicolas Christinat; Justus Tönnemann; Christian Schüttler; Rosario Scopelliti; Kay Severin","Synthesis of Molecular Nanostructures by Multicomponent Condensation Reactions in a Ball Mill","Journal of the American Chemical Society","2009","131","","3154","3155","10.1021/ja809279s","","","0.71073","MoKα","","0.0968","0.0739","","","0.1833","0.201","","","","","","1.102","","","","has coordinates,has disorder","178788","2020-10-21","18:00:00",""
"4104294","7.6139","0.0004","12.7418","0.0007","24.1476","0.0014","90","","90","","90","","2342.7","0.2","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O5 S -","- C24 H31 N O5 S -","- C96 H124 N4 O20 S4 -","4","1","","Tim A. Cernak; Tristan H. Lambert","Multicatalytic Synthesis of α-Pyrrolidinyl Ketones via a Tandem Palladium(II)/Indium(III)-Catalyzed Aminochlorocarbonylation/Friedel-Crafts Acylation Reaction","Journal of the American Chemical Society","2009","131","","3124","3125","10.1021/ja809897f","","","0.71073","MoKα","","0.0329","0.0312","","","0.0863","0.0878","","","","","","1.046","","","","has coordinates","178788","2020-10-21","18:00:00",""
"4104304","8.5896","0.0003","10.1995","0.0003","37.4208","0.0012","90","","90","","90","","3278.42","0.18","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","C18H28O3","","","- C18 H28 O3 -","- C18 H28 O3 -","- C144 H224 O24 -","8","2","","Hyoungsu Kim; Joseph B. Baker; Su-Ui Lee; Yongho Park; Kyle L. Bolduc; Hyung-Bae Park; Marina G. Dickens; Dong-Sup Lee; Yongchul Kim; Seong Hwan Kim; Jiyong Hong","Stereoselective Synthesis and Osteogenic Activity of Subglutinols A and B","Journal of the American Chemical Society","2009","131","","3192","3194","10.1021/ja8101192","","","0.71073","MoKα","","0.0524","0.0406","","","0.1066","0.1167","","","","","","1.026","","","","has coordinates,has disorder","178789","2020-10-21","18:00:00",""
"4104305","8.1782","0.0003","11.0055","0.0004","17.9809","0.0007","90","","90","","90","","1618.37","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O3 -","- C18 H26 O3 -","- C72 H104 O12 -","4","1","","Hyoungsu Kim; Joseph B. Baker; Su-Ui Lee; Yongho Park; Kyle L. Bolduc; Hyung-Bae Park; Marina G. Dickens; Dong-Sup Lee; Yongchul Kim; Seong Hwan Kim; Jiyong Hong","Stereoselective Synthesis and Osteogenic Activity of Subglutinols A and B","Journal of the American Chemical Society","2009","131","","3192","3194","10.1021/ja8101192","","","0.71073","MoKα","","0.0582","0.047","","","0.1355","0.1465","","","","","","1.282","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4104358","8.6896","0.001","18.229","0.002","24.344","0.003","90","","90","","90","","3856.2","0.8","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","none","","","- C44 H37 Cu N7 O4 -","- C44 H37 Cu N7 O4 -","- C176 H148 Cu4 N28 O16 -","4","1","","Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou","Interconversion between Molecular Polyhedra and Metal-Organic Frameworks","Journal of the American Chemical Society","2009","131","","6368","6369","10.1021/ja901731z","","","0.71073","MoKα","","0.0893","0.0597","","","0.1541","0.17","","","","","","1.047","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104378","8.5932","0.0003","13.5318","0.0004","17.3502","0.0006","90","","90","","90","","2017.51","0.12","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Trichlorosilane-bis(p-tert-butylpyridine)","","- C18 H27 Cl3 N2 Si -","- C18 H27 Cl3 N2 Si -","- C72 H108 Cl12 N8 Si4 -","4","1","","Gerrit W. Fester; Jörg Wagler; Erica Brendler; Uwe Böhme; Daniela Gerlach; Edwin Kroke","Octahedral HSiCl3 and HSiCl2Me Adducts with Pyridines","Journal of the American Chemical Society","2009","131","","6855","6864","10.1021/ja901053w","","","0.71073","MoKα","","0.0585","0.0423","","","0.1083","0.1204","","","","","","1.105","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104395","9.6774","0.0007","11.5225","0.0008","17.5094","0.0013","90","","90","","90","","1952.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br N -","- C25 H22 Br N -","- C100 H88 Br4 N4 -","4","1","","Jorge García-Fortanet; Florian Kessler; Stephen L. Buchwald","Palladium-Catalyzed Asymmetric Dearomatization of Naphthalene Derivatives","Journal of the American Chemical Society","2009","131","","6676","6677","10.1021/ja9025193","","","0.71073","MoKα","","0.0264","0.0237","","","0.0608","0.062","","","","","","1.037","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104398","8.6537","0.0006","9.4166","0.0006","13.4394","0.0009","90","","90","","90","","1095.16","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Bassam K. Alnasleh; William M. Sherrill; Marina Rubina; Joseph Banning; Michael Rubin","Highly Diastereoselective Formal Nucleophilic Substitution of Bromocyclopropanes","Journal of the American Chemical Society","2009","131","","6906","6907","10.1021/ja900634m","","","0.71073","MoKα","","0.0561","0.05","","","0.0978","0.1004","","","","","","1.057","","","","has coordinates","178789","2020-10-21","18:00:00",""
"4104400","4.1932","0.0002","15.1413","0.0008","16.1531","0.0008","90","","90","","90","","1025.57","0.09","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ClBPSTMe","","","- C6 H3 Cl N3 S2 Se2 -","- C6 H3 Cl N3 S2 Se2 -","- C24 H12 Cl4 N12 S8 Se8 -","4","1","","Alicea A. Leitch; Xueyang Yu; Stephen M. Winter; Richard A. Secco; Paul A. Dube; Richard T. Oakley","Structure and Property Correlations in Heavy Atom Radical Conductors","Journal of the American Chemical Society","2009","131","","7112","7125","10.1021/ja900853t","","","0.71073","MoKα","","0.0389","0.0268","","","0.0499","0.0527","","","","","","1.024","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104419","6.3066","0.0007","8.188","0.0008","26.402","0.002","90","","90","","90","","1363.4","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br N2 O -","- C15 H15 Br N2 O -","- C60 H60 Br4 N8 O4 -","4","1","","David Marcoux; Soula Azzi; André B. Charette","TfNH2 as Achiral Hydrogen-Bond Donor Additive to Enhance the Selectivity of a Transition Metal Catalyzed Reaction. Highly Enantio- and Diastereoselective Rhodium-Catalyzed Cyclopropanation of Alkenes Using α-Cyano Diazoacetamide","Journal of the American Chemical Society","2009","131","","6970","6972","10.1021/ja902205f","","","1.54178","CuKα","","0.0349","0.0347","","","0.0938","0.094","","","","","","1.071","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104429","12.57","0.003","13.011","0.003","16.508","0.003","90","","90","","90","","2699.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dppmAuClAuCl3","","","- C25 H22 Au2 Cl4 P2 -","- C25 H22 Au2 Cl4 P2 -","- C100 H88 Au8 Cl16 P8 -","4","1","","Thomas S. Teets; Daniel G. Nocera","Halogen Photoreductive Elimination from Gold(III) Centers","Journal of the American Chemical Society","2009","131","","7411","7420","10.1021/ja9009937","","","0.71073","MoKα","","0.0315","0.0293","","","0.0671","0.0678","","","","","","1.052","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104450","9.8982","0.0012","12.9223","0.0016","21.547","0.002","90","","90","","90","","2756","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 N4 Ni O3 -","- C28 H29 N3 Ni O3 -","- C112 H116 N12 Ni4 O12 -","4","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0233","0.0229","","","0.0598","0.06","","","","","","1.003","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104453","10.0845","0.0018","10.515","0.002","26.97","0.005","90","","90","","90","","2859.9","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 Cl2 N3 Ni O3 -","- C31 H35 Cl2 N3 Ni O3 -","- C124 H140 Cl8 N12 Ni4 O12 -","4","1","","Vadim A. Soloshonok; Trevor K. Ellis; Hisanori Ueki; Taizo Ono","Resolution/Deracemization of Chiral α-Amino Acids Using Resolving Reagents with Flexible Stereogenic Centers","Journal of the American Chemical Society","2009","131","","7208","7209","10.1021/ja9026055","","","0.71073","MoKα","","0.0353","0.0325","","","0.0824","0.084","","","","","","1.01","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104467","7.4202","0.0008","10.7636","0.0011","19.946","0.002","90","","90","","90","","1593","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 B O4 -","- C16 H25 B O4 -","- C64 H100 B4 O16 -","4","1","","Kang-sang Lee; Adil R. Zhugralin; Amir H. Hoveyda","Efficient C-B Bond Formation Promoted by N-Heterocyclic Carbenes: Synthesis of Tertiary and Quaternary B-Substituted Carbons through Metal-Free Catalytic Boron Conjugate Additions to Cyclic and Acyclic α,β-Unsaturated Carbonyls","Journal of the American Chemical Society","2009","131","","7253","7255","10.1021/ja902889s","","","0.71073","MoKα","","0.0406","0.0377","","","0.0938","0.096","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104472","10.383","0.003","21.787","0.006","25.368","0.006","90","","90","","90","","5739","3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H66 Cl N4 O4 P -","- C66 H66 Cl N4 O4 P -","- C264 H264 Cl4 N16 O16 P4 -","4","1","","Daisuke Uraguchi; Daisuke Nakashima; Takashi Ooi","Chiral Arylaminophosphonium Barfates as a New Class of Charged Brønsted Acid for the Enantioselective Activation of Nonionic Lewis Bases","Journal of the American Chemical Society","2009","131","","7242","7243","10.1021/ja903271t","","","0.71073","MoKα","","0.0911","0.0602","","","0.1362","0.1524","","","","","","1.023","","","","has coordinates","178790","2020-10-21","18:00:00",""
"4104503","9.9136","0.0007","15.4103","0.0012","16.3476","0.0012","90","","90","","90","","2497.4","0.3","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Phenazine)Mo(PMe3)3","","","- C21 H35 Mo N2 P3 -","- C21 H35 Mo N2 P3 -","- C84 H140 Mo4 N8 P12 -","4","1","","Sattler, Aaron; Zhu, Guang; Parkin, Gerard","Multiple Modes for Coordination of Phenazine to Molybdenum: Ring Fusion Promotes Access to η4-Coordination, Oxidative Addition of Dihydrogen and Hydrogenation of Aromatic Nitrogen Compounds","Journal of the American Chemical Society","2009","131","22","7828","7838","10.1021/ja901896x","","","0.71073","MoKα","","0.0195","0.0183","","","0.0482","0.0488","","","","","","1.031","","","","has coordinates","219209","2020-10-21","18:00:00",""
"4104529","6.293","0.002","11.15","0.004","25.494","0.008","90","","90","","90","","1788.8","1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O S Si -","- C17 H23 N O S Si -","- C68 H92 N4 O4 S4 Si4 -","4","1","","Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson","Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights","Journal of the American Chemical Society","2009","131","","8196","8210","10.1021/ja9009875","","","0.71073","MoKα","","0.0765","0.0436","","","0.0813","0.0883","","","","","","0.93","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4104549","9.1259","0.0018","11.164","0.002","19.548","0.004","90","","90","","90","","1991.6","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C96 H92 N4 O12 -","4","1","","Marino J. E. Resendiz; Farnosh Family; Kerrian Fuller; Luis M. Campos; Saeed I. Khan; Natalia V. Lebedeva; Malcolm D. E. Forbes; Miguel A. Garcia-Garibay","Radical Reactions with Double Memory of Chirality (2MOC) for the Enantiospecific Synthesis of Adjacent Stereogenic Quaternary Centers in Solution: Cleavage and Bonding Faster than Radical Rotation","Journal of the American Chemical Society","2009","131","","8425","8433","10.1021/ja900781n","","","0.71073","MoKα","","0.0554","0.0405","","","0.0835","0.0911","","","","","","1.037","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104551","10.6231","0.0003","14.0223","0.0005","19.2344","0.0009","90","","90","","90","","2865.16","0.19","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 F3 N2 O5 S -","- C26 H41 F3 N2 O5 S -","- C104 H164 F12 N8 O20 S4 -","4","1","","Sebastian Würtz; Claudia Lohre; Roland Fröhlich; Klaus Bergander; Frank Glorius","IBiox[(-)-menthyl]: A Sterically Demanding Chiral NHC Ligand","Journal of the American Chemical Society","2009","131","","8344","8345","10.1021/ja901018g","","","1.54178","CuKα","","0.0704","0.0521","","","0.1114","0.1246","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104552","10.6661","0.0002","12.9006","0.0002","18.6675","0.0004","90","","90","","90","","2568.63","0.08","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 Ag Br N2 O2 -","- C25 H40 Ag Br N2 O2 -","- C100 H160 Ag4 Br4 N8 O8 -","4","1","","Sebastian Würtz; Claudia Lohre; Roland Fröhlich; Klaus Bergander; Frank Glorius","IBiox[(-)-menthyl]: A Sterically Demanding Chiral NHC Ligand","Journal of the American Chemical Society","2009","131","","8344","8345","10.1021/ja901018g","","","0.71073","MoKα","","0.079","0.0463","","","0.0695","0.0784","","","","","","1.057","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104560","8.0586","0.0013","14.782","0.002","20.24","0.003","90","","90","","90","","2411","0.6","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 F3 N Si -","- C27 H26 F3 N Si -","- C108 H104 F12 N4 Si4 -","4","1","","Kenji Mochida; Masaki Shimizu; Tamejiro Hiyama","Palladium-Catalyzed Intramolecular Coupling of 2-[(2-Pyrrolyl)silyl]aryl Triflates through 1,2-Silicon Migration","Journal of the American Chemical Society","2009","131","","8350","8351","10.1021/ja901622b","","","0.71073","MoKα","","0.087","0.0746","","","0.2021","0.214","","","","","","1.057","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104582","7.478","0.0003","15.0069","0.0005","24.6083","0.0009","90","","90","","90","","2761.58","0.18","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 O3 Si2 -","- C25 H42 O3 Si2 -","- C100 H168 O12 Si8 -","4","1","","Amir H. Hoveyda; Pamela J. Lombardi; Robert V. O'Brien,; Adil R. Zhugralin","H-Bonding as a Control Element in Stereoselective Ru-Catalyzed Olefin Metathesis","Journal of the American Chemical Society","2009","131","","8378","8379","10.1021/ja9030903","","","","","","","","","","","","","","","","","","","","","has coordinates","178791","2020-10-21","18:00:00",""
"4104602","9.2297","0.0014","10.7223","0.0017","22.792","0.004","90","","90","","90","","2255.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Br N O -","- C26 H26 Br N O -","- C104 H104 Br4 N4 O4 -","4","1","","Wei Liu; Di Chen; Xia-Zhen Zhu; Xiao-Long Wan; Xue-Long Hou","Highly Diastereo- and Enantioselective Pd-Catalyzed Cyclopropanation of Acyclic Amides with Substituted Allyl Carbonates","Journal of the American Chemical Society","2009","131","","8734","8735","10.1021/ja902410w","","","0.71073","MoKα","","0.0868","0.0386","","","0.0768","0.0874","","","","","","0.927","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104637","8.962","0.002","17.016","0.004","17.214","0.005","90","","90","","90","","2625.1","1.1","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Mo O2 Si -","- C29 H32 Mo O2 Si -","- C116 H128 Mo4 O8 Si4 -","4","1","","Mako Yabe-Yoshida; Chizuko Kabuto; Kuninobu Kabuto; Eunsang Kwon; Hiroyuki Sakaba","η3-Silapropargyl/Alkynylsilyl Molybdenum Complexes: Synthesis, Structure, and Reactivity toward Methanol","Journal of the American Chemical Society","2009","131","","9138","9139","10.1021/ja9005833","","","0.7107","MoKα","","","0.028","","","","0.0488","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104643","8.0087","0.0015","11.234","0.003","30.148","0.004","90","","90","","90","","2712.4","1","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O3 S -","- C13 H15 Cl O3 S -","- C104 H120 Cl8 O24 S8 -","8","2","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","1.54184","Cu-Kα","","0.093","0.083","","","0.22","0.233","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104648","10.5248","0.0013","11.1963","0.0006","11.4028","0.0006","90","","90","","90","","1343.69","0.19","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Wan Pyo Hong; Ahmad El-Awa; Philip L. Fuchs","Reagent-Directed Allylic Quadraselection. Chemoselective Anti- and Syn-Lawton SN2' Methylation of Seven-Membered Epoxyvinylsulfones","Journal of the American Chemical Society","2009","131","","9150","9151","10.1021/ja9017557","","","0.71073","MO-Kα","","0.043","0.033","","","0.077","0.08","","","","","","1.07","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4104657","8.0514","0.0002","11.9665","0.0002","29.3775","0.0006","90","","90","","90","","2830.44","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 N O4 -","- C35 H35 N O4 -","- C140 H140 N4 O16 -","4","1","","Noah Z. Burns; Irina N. Krylova; Rami N. Hannoush; Phil S. Baran","Scalable Total Synthesis and Biological Evaluation of Haouamine A and Its Atropisomer","Journal of the American Chemical Society","2009","131","","9172","9173","10.1021/ja903745s","","","1.54178","CuKα","","0.0323","0.0298","","","0.075","0.0769","","","","","","1.056","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104687","12.099","0.004","13.535","0.004","18.125","0.006","90","","90","","90","","2968.1","1.6","103.15","","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 B N2 -","- C33 H43 B N2 -","- C132 H172 B4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0363","0.0351","","","0.0841","0.0849","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104688","12.205","0.003","13.677","0.003","17.907","0.004","90","","90","","90","","2989.2","1.2","103.15","","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 B N2 O -","- C33 H43 B N2 O -","- C132 H172 B4 N8 O4 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2009","131","","9600","9600","10.1021/ja903763a","","","0.7107","MoKα","","0.0419","0.0402","","","0.1034","0.1051","","","","","","1.086","","","","has coordinates,has disorder","178792","2020-10-21","18:00:00",""
"4104695","7.9585","0.0004","7.5081","0.0004","18.6463","0.001","90","","90","","90","","1114.18","0.1","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Cl N -","- C11 H16 Cl N -","- C44 H64 Cl4 N4 -","4","1","","Mark R. Crimmin; Merle Arrowsmith; Anthony G. M. Barrett; Ian J. Casely; Michael S. Hill; Panayiotis A. Procopiou","Intramolecular Hydroamination of Aminoalkenes by Calcium and Magnesium Complexes: A Synthetic and Mechanistic Study","Journal of the American Chemical Society","2009","131","","9670","9685","10.1021/ja9003377","","x-ray","0.71073","MoKα","","0.0795","0.0523","","","0.1162","0.1287","","","","","","1.008","","","","has coordinates","178792","2020-10-21","18:00:00",""
"4104712","8.82","0.0004","10.6264","0.0004","50.784","0.002","90","","90","","90","","4759.7","0.3","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H32 N16 Tb -","- C64 H32 N16 Tb -","- C256 H128 N64 Tb4 -","4","1","","Keiichi Katoh; Yusuke Yoshida; Masahiro Yamashita; Hitoshi Miyasaka; Brian K. Breedlove; Takashi Kajiwara; Shinya Takaishi; Naoto Ishikawa; Hironari Isshiki; Yan Feng Zhang; Tadahiro Komeda; Masakazu Yamagishi; Jun Takeya","Direct Observation of Lanthanide(III)-Phthalocyanine Molecules on Au(111) by Using Scanning Tunneling Microscopy and Scanning Tunneling Spectroscopy and Thin-Film Field-Effect Transistor Properties of Tb(III)- and Dy(III)-Phthalocyanine Molecules","Journal of the American Chemical Society","2009","131","","9967","9976","10.1021/ja902349t","","","0.7107","MoKα","","","0.0608","","","","0.1333","","","","","","1.156","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104713","8.8121","0.0002","10.6081","0.0003","50.7087","0.0015","90","","90","","90","","4740.2","0.2","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C256 H128 Dy4 N64 -","4","1","","Keiichi Katoh; Yusuke Yoshida; Masahiro Yamashita; Hitoshi Miyasaka; Brian K. Breedlove; Takashi Kajiwara; Shinya Takaishi; Naoto Ishikawa; Hironari Isshiki; Yan Feng Zhang; Tadahiro Komeda; Masakazu Yamagishi; Jun Takeya","Direct Observation of Lanthanide(III)-Phthalocyanine Molecules on Au(111) by Using Scanning Tunneling Microscopy and Scanning Tunneling Spectroscopy and Thin-Film Field-Effect Transistor Properties of Tb(III)- and Dy(III)-Phthalocyanine Molecules","Journal of the American Chemical Society","2009","131","","9967","9976","10.1021/ja902349t","","","0.7107","MoKα","","","0.0504","","","","0.1082","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104714","8.835","0.003","10.616","0.004","50.789","0.017","90","","90","","90","","4764","3","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H32 N16 Y -","- C64 H32 N16 Y -","- C256 H128 N64 Y4 -","4","1","","Keiichi Katoh; Yusuke Yoshida; Masahiro Yamashita; Hitoshi Miyasaka; Brian K. Breedlove; Takashi Kajiwara; Shinya Takaishi; Naoto Ishikawa; Hironari Isshiki; Yan Feng Zhang; Tadahiro Komeda; Masakazu Yamagishi; Jun Takeya","Direct Observation of Lanthanide(III)-Phthalocyanine Molecules on Au(111) by Using Scanning Tunneling Microscopy and Scanning Tunneling Spectroscopy and Thin-Film Field-Effect Transistor Properties of Tb(III)- and Dy(III)-Phthalocyanine Molecules","Journal of the American Chemical Society","2009","131","","9967","9976","10.1021/ja902349t","","","0.7107","MoKα","","","0.0721","","","","0.1576","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104728","11.989","0.002","16.896","0.003","17.378","0.004","90","","90","","90","","3520.2","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Al3 Br2 Cl12 S8 Sb7 -","- Al3 Br2 Cl12 S8 Sb7 -","- Al12 Br8 Cl48 S32 Sb28 -","4","1","","Qichun Zhang; In Chung; Joon I. Jang; John B. Ketterson; Mercouri G. Kanatzidis","Chalcogenide Chemistry in Ionic Liquids: Nonlinear Optical Wave-Mixing Properties of the Double-Cubane Compound [Sb7S8Br2](AlCl4)3","Journal of the American Chemical Society","2009","131","","9896","9897","10.1021/ja903881m","","","0.71073","MoKα","","0.0396","0.0361","","","0.0847","0.086","","","","","","1.126","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104769","6.6925","0.0006","11.4684","0.001","20.9665","0.0018","90","","90","","90","","1609.2","0.2","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Mathieu Branca; Sébastien Pena; Régis Guillot; Didier Gori; Valérie Alezra; Cyrille Kouklovsky","Memory of Chirality of Tertiary Aromatic Amides: A Simple and Efficient Method for the Enantioselective Synthesis of Quaternary α-Amino Acids","Journal of the American Chemical Society","2009","131","","10711","10718","10.1021/ja9039604","","x-ray","0.71073","MoKα","","0.0426","0.0382","","","0.0952","0.0989","","","","","","1.096","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104792","6.069","0.0004","12.594","0.002","15.485","0.0007","90","","90","","90","","1183.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","fidarestat","((2S,4S)-6-fluoro-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxamide","","- C12 H10 F N3 O4 -","- C12 H10 F N3 O4 -","- C48 H40 F4 N12 O16 -","4","1","","Bertrand Fournier; El-Eulmi Bendeif; Benoît Guillot; Alberto Podjarny; Claude Lecomte; Christian Jelsch","Charge Density and Electrostatic Interactions of Fidarestat, an Inhibitor of Human Aldose Reductase","Journal of the American Chemical Society","2009","131","","10929","10941","10.1021/ja8095015","","","0.45","synchrotron","","0.0374","0.0374","","","0.0198","0.0198","","","","","","0.398","","","","has coordinates","178793","2020-10-21","18:00:00",""
"4104811","8.01","0.002","10.902","0.002","20.373","0.005","90","","90","","90","","1779.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Br N2 O -","- C20 H25 Br N2 O -","- C80 H100 Br4 N8 O4 -","4","1","","Michael E. Muratore; Chloe A. Holloway; Adam W. Pilling; R. Ian Storer; Graham Trevitt; Darren J. Dixon","Enantioselective Brønsted Acid-Catalyzed N-Acyliminium Cyclization Cascades","Journal of the American Chemical Society","2009","131","","10796","10797","10.1021/ja9024885","","","0.71073","MoKα","","0.0535","0.0399","","","0.0699","0.0733","","","","","","0.969","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104850","5.6745","0.0003","13.5498","0.0006","17.9944","0.0008","90","","90","","90","","1383.56","0.11","296","2","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 Br N2 O3 S -","- C12 H15 Br N2 O3 S -","- C48 H60 Br4 N8 O12 S4 -","4","1","","Daniel A. DiRocco; Kevin M. Oberg; Derek M. Dalton; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Heterocyclic Aldehydes with Nitroalkenes: Backbone Fluorination Improves Selectivity","Journal of the American Chemical Society","2009","131","","10872","10874","10.1021/ja904375q","","","0.71073","MoKα","","0.0455","0.0317","","","0.0543","0.0577","","","","","","0.876","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104863","7.8612","0.0017","11.015","0.002","16.196","0.004","90","","90","","90","","1402.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(dimethylamino)[3,2-c:2?,3?-e] dithieno-1,2-dihydro-1,2-Diborin","","- C12 H16 B2 N2 S2 -","- C12 H16 B2 N2 S2 -","- C48 H64 B8 N8 S8 -","4","1","","Atsushi Wakamiya; Kenji Mori; Takafumi Araki; Shigehiro Yamaguchi","A B-B Bond-Containing Polycyclic π-Electron System: Dithieno-1,2-dihydro-1,2-diborin and Its Dianion","Journal of the American Chemical Society","2009","131","","10850","10851","10.1021/ja905007s","","","0.7107","MoKa","","0.045","0.0368","","","0.073","0.0759","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4104868","6.5841","0.00012","11.814","0.0002","18.4736","0.0003","90","","90","","90","","1436.96","0.04","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O3 S -","- C13 H19 N3 O3 S -","- C52 H76 N12 O12 S4 -","4","1","","Takuya Hashimoto; Hisashi Miyamoto; Yuki Naganawa; Keiji Maruoka","Stereoselective Synthesis of α-Alkyl-β-keto Imides via Asymmetric Redox C-C Bond Formation between α-Alkyl-α-diazocarbonyl Compounds and Aldehydes","Journal of the American Chemical Society","2009","131","","11280","11281","10.1021/ja903500w","","","1.54187","CuKα","","","0.0308","","","","0.0813","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104870","11.581","0.0002","15.0562","0.0003","24.723","0.0005","90","","90","","90","","4310.85","0.14","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 N O4 S -","- C21 H35 N O4 S -","- C168 H280 N8 O32 S8 -","8","2","","Takuya Hashimoto; Hisashi Miyamoto; Yuki Naganawa; Keiji Maruoka","Stereoselective Synthesis of α-Alkyl-β-keto Imides via Asymmetric Redox C-C Bond Formation between α-Alkyl-α-diazocarbonyl Compounds and Aldehydes","Journal of the American Chemical Society","2009","131","","11280","11281","10.1021/ja903500w","","","1.54187","CuKα","","","0.038","","","","0.0956","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104876","9.4495","0.0007","15.3667","0.0011","20.6704","0.0015","90","","90","","90","","3001.5","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Al N2 O3 S -","- C32 H33 Al N2 O3 S -","- C128 H132 Al4 N8 O12 S4 -","4","1","","Yunmi Lee; Bo Li; Amir H. Hoveyda","Stereogenic-at-Metal Zn- and Al-Based N-Heterocyclic Carbene (NHC) Complexes as Bifunctional Catalysts in Cu-Free Enantioselective Allylic Alkylations","Journal of the American Chemical Society","2009","131","","11625","11633","10.1021/ja904654j","","","0.71073","MoKα","","0.071","0.0481","","","0.1027","0.1139","","","","","","1.027","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104885","17.334","0.003","18.742","0.004","19.677","0.004","90","","90","","90","","6393","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Pd(Cl)(CH2Ph)(CNArDipp2)2","","","- C73 H89 Cl N2 O Pd -","- C73 H89 Cl N2 O Pd -","- C292 H356 Cl4 N8 O4 Pd4 -","4","1","","Liezel A. Labios; Matthew D. Millard; Arnold L. Rheingold; Joshua S. Figueroa","Bond Activation, Substrate Addition and Catalysis by an Isolable Two-Coordinate Pd(0) Bis-Isocyanide Monomer","Journal of the American Chemical Society","2009","131","","11318","11319","10.1021/ja905338x","","","0.71073","MoKα","","0.0486","0.0407","","","0.0784","0.0837","","","","","","1.099","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104894","7.5453","0.0004","9.7332","0.0006","27.3553","0.0016","90","","90","","90","","2009","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O6 S2 -","- C20 H19 N3 O6 S2 -","- C80 H76 N12 O24 S8 -","4","1","","Le Li; Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Synthesis of α,β-Diamino Acid Derivatives","Journal of the American Chemical Society","2009","131","","11648","11649","10.1021/ja9034494","","","0.71073","MoKα","","0.0494","0.0449","","","0.0968","0.0991","","","","","","1","","","","has coordinates","178794","2020-10-21","18:00:00",""
"4104896","8.2055","0.0005","18.3154","0.0011","20.732","0.0012","90","","90","","90","","3115.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 N4 O7 S3 -","- C28 H36 N4 O7 S3 -","- C112 H144 N16 O28 S12 -","4","1","","Le Li; Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Synthesis of α,β-Diamino Acid Derivatives","Journal of the American Chemical Society","2009","131","","11648","11649","10.1021/ja9034494","","","0.71073","MoKα","","0.0678","0.0495","","","0.1049","0.113","","","","","","1.005","","","","has coordinates,has disorder","178794","2020-10-21","18:00:00",""
"4104900","7.115","0.001","20.084","0.004","20.49","0.004","90","","90","","90","","2928","0.9","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H36 Cl8 N8 O2 Rh2 Zn -","- C12 H36 Cl8 N8 O2 Rh2 Zn -","- C48 H144 Cl32 N32 O8 Rh8 Zn4 -","4","1","","Marja Hyvärinen; Juha Vaara; Anna Goldammer; Barbara Kutzky; Kaspar Hegetschweiler; Martin Kaupp; Michal Straka","Characteristic Spin-Orbit Induced 1H(CH2) Chemical Shifts upon Deprotonation of Group 9 Polyamine Aqua and Alcohol Complexes","Journal of the American Chemical Society","2009","131","","11909","11918","10.1021/ja903637m","","","0.71073","MoKα","","0.0309","0.0291","","","0.0694","0.0699","","","","","","0.996","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104905","5.58542","0.0001","9.57633","0.00017","18.7881","0.0003","90","","90","","90","","1004.93","0.03","103.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","I-Hon Chen; Liang Yin; Wataru Itano; Motomu Kanai; Masakatsu Shibasaki","Catalytic Asymmetric Synthesis of Chiral Tertiary Organoboronic Esters through Conjugate Boration of β-Substituted Cyclic Enones","Journal of the American Chemical Society","2009","131","","11664","11665","10.1021/ja9045839","","","1.54187","CuKα","","","0.0327","","","","0.0843","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104906","8.40672","0.00019","10.169","0.0002","17.6972","0.0004","90","","90","","90","","1512.9","0.06","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","I-Hon Chen; Liang Yin; Wataru Itano; Motomu Kanai; Masakatsu Shibasaki","Catalytic Asymmetric Synthesis of Chiral Tertiary Organoboronic Esters through Conjugate Boration of β-Substituted Cyclic Enones","Journal of the American Chemical Society","2009","131","","11664","11665","10.1021/ja9045839","","","1.54187","CuKα","","","0.0345","","","","0.0857","","","","","","0.835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104913","12.182","0.002","21.657","0.004","24.212","0.005","90","","90","","90","","6388","2","240","1","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dimitry-75","","","- C52 H117 Li O4 Si6 -","- C52 H117 Li O4 Si6 -","- C208 H468 Li4 O16 Si24 -","4","1","","Gregory Molev; Boris Tumanskii; Dennis Sheberla; Mark Botoshansky; Dmitry Bravo-Zhivotovskii; Yitzhak Apeloig","Isolable Photoreactive Polysilyl Radicals","Journal of the American Chemical Society","2009","131","","11698","11700","10.1021/ja905097b","","","0.71073","MoKα","","0.2239","0.0725","","","0.1362","0.1785","","","","","","0.867","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104935","15.5665","0.0004","23.5385","0.0005","33.1929","0.0009","90","","90","","90","","12162.3","0.5","100.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H91.249 O43.6245 -","- C45 H49 O43.6245 -","- C360 H392 O348.996 -","8","2","","Naoki Tomimasu; Akira Kanaya; Yoshinori Takashima; Hiroyasu Yamaguchi; Akira Harada","Social Self-Sorting: Alternating Supramolecular Oligomer Consisting of Isomers","Journal of the American Chemical Society","2009","131","","12339","12343","10.1021/ja903988c","","","1.54187","CuKα","","","0.0698","","","","0.2154","","","","","","1.134","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4104942","7.966","0.002","8.544","0.002","31.115","0.008","90","","90","","90","","2117.7","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09082a","","","- C20 H23 Br4 N -","- C20 H23 Br4 N -","- C80 H92 Br16 N4 -","4","1","","Barry M. Trost; David A. Thaisrivongs","Palladium-Catalyzed Regio-, Diastereo-, and Enantioselective Benzylic Allylation of 2-Substituted Pyridines","Journal of the American Chemical Society","2009","131","","12056","12057","10.1021/ja904441a","","","0.71073","MoKα","","0.0331","0.0265","","","0.0552","0.0573","","","","","","1.077","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104944","8.5312","0.0004","13.4133","0.0007","19.9001","0.001","90","","90","","90","","2277.2","0.2","93.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Mn N8 O2 -","- C22 H24 Mn N8 O2 -","- C88 H96 Mn4 N32 O8 -","4","1","","Takuya Kurahashi; Masahiko Hada; Hiroshi Fujii","Critical Role of External Axial Ligands in Chirality Amplification of trans-Cyclohexane-1,2-diamine in Salen Complexes","Journal of the American Chemical Society","2009","131","","12394","12405","10.1021/ja904635n","","","0.7107","MoKα","","","0.0381","","","","0.0946","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104949","10.5972","0.0011","13.1485","0.0013","16.0477","0.0016","90","","90","","90","","2236","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 Br O6 -","- C21 H33 Br O6 -","- C84 H132 Br4 O24 -","4","1","","Jessica Tanuwidjaja; Sze-Sze Ng; Timothy F. Jamison","Total Synthesis of ent-Dioxepandehydrothyrsiferol via a Bromonium-Initiated Epoxide-Opening Cascade","Journal of the American Chemical Society","2009","131","","12084","12085","10.1021/ja9052366","","","0.71073","MoKα","","0.039","0.0326","","","0.0817","0.0844","","","","","","1.043","","","","has coordinates","178795","2020-10-21","18:00:00",""
"4104956","8.817","0.003","17.774","0.006","22.892","0.008","90","","90","","90","","3587","2","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 Cl N O11 -","- C38 H40 Cl N O11 -","- C152 H160 Cl4 N4 O44 -","4","1","","Kazuo Komano; Satoshi Shimamura; Yutaro Norizuki; Donglin Zhao; Chizuko Kabuto; Itaru Sato; Masahiro Hirama","Total Synthesis and Structure Revision of the (-)-Maduropeptin Chromophore","Journal of the American Chemical Society","2009","131","","12072","12073","10.1021/ja905397p","","","0.7107","MoKα","","","0.0564","","","","0.0762","","","","","","0.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105003","9.9225","0.0003","16.8851","0.0006","17.1254","0.0006","90","","90","","90","","2869.23","0.17","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 B N2 O6 -","- C37 H34 B N O2 -","- C148 H136 B4 N4 O8 -","4","1","","Shagufta H. Shabbir; Leo A. Joyce; Gabriella M. da Cruz; Vincent M. Lynch; Steven Sorey; Eric V. Anslyn","Pattern-Based Recognition for the Rapid Determination of Identity, Concentration, and Enantiomeric Excess of Subtly Different Threo Diols","Journal of the American Chemical Society","2009","131","","13125","13131","10.1021/ja904545d","","","0.7107","MoKα","","0.0787","0.0493","","","0.0732","0.0776","","","","","","1.399","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105008","8.2327","0.0003","10.0262","0.0003","20.8923","0.0006","90","","90","","90","","1724.51","0.1","446","2","120","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C72 H96 O20 -","4","1","","Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas","Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways","Journal of the American Chemical Society","2009","131","","13020","13030","10.1021/ja905415r","","x-ray","0.7107","MoKα","","0.0532","0.0468","","","0.1161","0.1196","","","","","","1.024","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105009","11.5779","0.0006","12.8146","0.0008","21.809","0.0014","90","","90","","90","","3235.7","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S -","- C18 H23 N O2 S -","- C144 H184 N8 O16 S8 -","8","2","","Isaac Alonso; Beatriz Trillo; Fernando López; Sergi Montserrat; Gregori Ujaque; Luis Castedo; Agustí Lledós; Jose L. Mascareñas","Gold-Catalyzed [4C+2C] Cycloadditions of Allenedienes, including an Enantioselective Version with New Phosphoramidite-Based Catalysts: Mechanistic Aspects of the Divergence between [4C+3C] and [4C+2C] Pathways","Journal of the American Chemical Society","2009","131","","13020","13030","10.1021/ja905415r","","x-ray","0.71073","MoKα","","0.0653","0.0444","","","0.0934","0.1028","","","","","","1.031","","","","has coordinates,has disorder","178796","2020-10-21","18:00:00",""
"4105016","14.1787","0.0014","21.225","0.002","24.581","0.002","90","","90","","90","","7397.5","1.2","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H92 Fe10 N4 S9 Si8 -","- C46 H92 Fe10 N4 S9 Si8 -","- C184 H368 Fe40 N16 S36 Si32 -","4","1","","Yasuhiro Ohki; Motosuke Imada; Ayuro Murata; Yusuke Sunada; Shun Ohta; Masaru Honda; Takahiro Sasamori; Norihiro Tokitoh; Motomi Katada; Kazuyuki Tatsumi","Synthesis, Structures, and Electronic Properties of [8Fe-7S] Cluster Complexes Modeling the Nitrogenase P-Cluster","Journal of the American Chemical Society","2009","131","","13168","13178","10.1021/ja9055036","","","0.7107","MoKα","","","0.0321","","","","0.0728","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105025","8.7956","0.0014","20.014","0.003","23.863","0.004","90","","90","","90","","4200.7","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sublimed clarithromycin","","","- C38 H69 N O13 -","- C38 H69 N O13 -","- C152 H276 N4 O52 -","4","1","","Jian Tian; Praveen K. Thallapally; Scott J. Dalgarno; Jerry L. Atwood","Free Transport of Water and CO2 in Nonporous Hydrophobic Clarithromycin Form II Crystals","Journal of the American Chemical Society","2009","131","","13216","13217","10.1021/ja904658p","","","0.71073","MoKα","","0.1031","0.0616","","","0.11","0.1226","","","","","","1.043","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105026","8.7891","0.0011","20.012","0.003","23.857","0.003","90","","90","","90","","4196.1","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Clarithromycin hemihydrate","","","- C38 H69 N O13.5 -","- C38 H69 N O13.5 -","- C152 H276 N4 O54 -","4","1","","Jian Tian; Praveen K. Thallapally; Scott J. Dalgarno; Jerry L. Atwood","Free Transport of Water and CO2 in Nonporous Hydrophobic Clarithromycin Form II Crystals","Journal of the American Chemical Society","2009","131","","13216","13217","10.1021/ja904658p","","","0.71073","MoKα","","0.0968","0.0505","","","0.093","0.1071","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105038","5.5391","0.0008","10.8776","0.0015","29.488","0.004","90","","90","","90","","1776.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br N2 O3 -","- C21 H19 Br N2 O3 -","- C84 H76 Br4 N8 O12 -","4","1","","Sandip Murarka; Indubhusan Deb; Chen Zhang; Daniel Seidel","Catalytic Enantioselective Intramolecular Redox Reactions: Ring-Fused Tetrahydroquinolines","Journal of the American Chemical Society","2009","131","","13226","13227","10.1021/ja905213f","","","0.71073","MoKα","","0.0436","0.0365","","","0.08","0.0825","","","","","","1.005","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105039","8.1447","0.0001","10.1427","0.0002","21.4366","0.0003","90","","90","","90","","1770.86","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Sandip Murarka; Indubhusan Deb; Chen Zhang; Daniel Seidel","Catalytic Enantioselective Intramolecular Redox Reactions: Ring-Fused Tetrahydroquinolines","Journal of the American Chemical Society","2009","131","","13226","13227","10.1021/ja905213f","","","1.54178","CuKα","","0.0359","0.0346","","","0.0803","0.0812","","","","","","1.006","","","","has coordinates","178796","2020-10-21","18:00:00",""
"4105111","8.787","0.005","14.455","0.005","28.832","0.005","90","","90","","90","","3662","3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H41 N7 O4 -","- C37 H45 N7 O6 -","- C148 H180 N28 O24 -","4","1","","Clémence Mocquet; Arnaud Salaün; Paul Claudon; Barbara Le Grel; Michel Potel; Gilles Guichard; Brigitte Jamart-Grégoire; Philippe Le Grel","Aza-β3-cyclopeptides: A New Way of Controlling Nitrogen Chirality","Journal of the American Chemical Society","2009","131","","14521","14525","10.1021/ja9058074","","x-ray","0.71069","MoKα","","0.0471","0.0443","","","0.0869","0.0883","","","","","","1.17","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105126","5.0947","0.0009","22.762","0.004","24.163","0.004","90","","90","","90","","2802.1","0.8","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N O10 -","- C28 H33 N O10 -","- C112 H132 N4 O40 -","4","1","","Marlin Penner; Vivek Rauniyar; Ludwig T. Kaspar; Dennis G. Hall","Catalytic Asymmetric Synthesis of Palmerolide A via Organoboron Methodology","Journal of the American Chemical Society","2009","131","","14216","14217","10.1021/ja906429c","","","0.71073","MoKα","","0.1255","0.0591","","","0.0943","0.1124","","","","","","1.03","","","","has coordinates,has disorder","178797","2020-10-21","18:00:00",""
"4105139","12.3398","0.0008","12.9936","0.0008","24.7548","0.0016","90","","90","","90","","3969.1","0.4","153","2","153","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 Cl5 F Ga N2 P6 -","- C30 H39 Cl5 F Ga N2 P6 -","- C120 H156 Cl20 F4 Ga4 N8 P24 -","4","1","","Michael H. Holthausen; Jan J. Weigand","Preparation of the [(DippNP)~2~(P~4~)~2~]^2+^-Dication by the Reaction of [DippNPCl]2 and a Lewis Acid with P~4~","Journal of the American Chemical Society","2009","131","","14210","14211","10.1021/ja906878q","","","0.71073","MoKα","","0.0291","0.0251","","","0.0608","0.0626","","","","","","1.036","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105152","5.72385","0.0001","14.0831","0.0003","14.9468","0.0003","90","","90","","90","","1204.85","0.04","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","","Tomoyuki Mashiko; Naoya Kumagai; Masakatsu Shibasaki","Managing Highly Coordinative Substrates in Asymmetric Catalysis: A Catalytic Asymmetric Amination with a Lanthanum-Based Ternary Catalyst","Journal of the American Chemical Society","2009","131","","14990","14999","10.1021/ja9052653","","","1.54187","CuKα","","","0.0341","","","","0.0962","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105157","5.6956","0.0008","11.8505","0.0017","22.719","0.003","90","","90","","90","","1533.4","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","En Zhang; Chun-An Fan; Yong-Qiang Tu; Fu-Min Zhang; Yan-Lin Song","Organocatalytic Asymmetric Vinylogous α-Ketol Rearrangement: Enantioselective Construction of Chiral All-Carbon Quaternary Stereocenters in Spirocyclic Diketones via Semipinacol-Type 1,2-Carbon Migration","Journal of the American Chemical Society","2009","131","","14626","14627","10.1021/ja906291n","","","0.71073","MoKα","","0.0553","0.0411","","","0.0918","0.0987","","","","","","1.043","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105159","8.1452","0.0006","17.3379","0.0012","24.364","0.0017","90","","90","","90","","3440.7","0.4","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Cl N2 O3 -","- C18 H19 Cl N2 O3 -","- C144 H152 Cl8 N16 O24 -","8","2","","S. Corey Valdez; James L. Leighton","Tandem Asymmetric Aza-Darzens/Ring-Opening Reactions: Dual Functionality from the Silane Lewis Acid","Journal of the American Chemical Society","2009","131","","14638","14639","10.1021/ja9066354","","","0.71073","MoKα","","0.0723","0.054","","","0.1455","0.1595","","","","","","1.044","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105160","5.7656","0.0004","8.9612","0.0006","29.955","0.002","90","","90","","90","","1547.68","0.18","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C72 H72 N8 O12 -","4","1","","S. Corey Valdez; James L. Leighton","Tandem Asymmetric Aza-Darzens/Ring-Opening Reactions: Dual Functionality from the Silane Lewis Acid","Journal of the American Chemical Society","2009","131","","14638","14639","10.1021/ja9066354","","","0.71073","MoKα","","0.0389","0.0355","","","0.1006","0.1039","","","","","","1.032","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105164","12.657","0.003","14.294","0.003","28.298","0.006","90","","90","","90","","5120","2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22 O9 -","- C32 H22 O9 -","- C256 H176 O72 -","8","2","","K. C. Nicolaou; Jochen Becker; Yee Hwee Lim; Alexandre Lemire; Thomas Neubauer; Ana Montero","Total Synthesis and Biological Evaluation of (+)- and (-)-Bisanthraquinone Antibiotic BE-43472B and Related Compounds","Journal of the American Chemical Society","2009","131","","14812","14826","10.1021/ja9073694","","","0.71073","MoKα","","0.1375","0.0904","","","0.1804","0.2038","","","","","","1.106","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105165","12.608","0.003","14.246","0.003","28.197","0.006","90","","90","","90","","5064.6","1.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22 O9 -","- C32 H22 O9 -","- C256 H176 O72 -","8","2","","K. C. Nicolaou; Jochen Becker; Yee Hwee Lim; Alexandre Lemire; Thomas Neubauer; Ana Montero","Total Synthesis and Biological Evaluation of (+)- and (-)-Bisanthraquinone Antibiotic BE-43472B and Related Compounds","Journal of the American Chemical Society","2009","131","","14812","14826","10.1021/ja9073694","","","0.71073","MoKα","","0.1161","0.0769","","","0.1444","0.1604","","","","","","1.114","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4105168","12.973","0.005","16.288","0.006","25.794","0.01","90","","90","","90","","5450","4","573","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 Cl4 N10 O14 Ru2 -","- C46 H36 Cl4 N10 O14 Ru2 -","- C184 H144 Cl16 N40 O56 Ru8 -","4","1","","Fernando Bozoglian; Sophie Romain; Mehmed Z. Ertem; Tanya K. Todorova; Cristina Sens; Joaquim Mola; Montserrat Rodríguez; Isabel Romero; Jordi Benet-Buchholz; Xavier Fontrodona; Christopher J. Cramer; Laura Gagliardi; Antoni Llobet","The Ru-Hbpp Water Oxidation Catalyst","Journal of the American Chemical Society","2009","131","","15176","15187","10.1021/ja9036127","","","0.71073","MoKα","","0.0928","0.0563","","","0.1444","0.1637","","","","","","0.987","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105199","10.9396","0.0008","28.544","0.002","32.502","0.002","90","","90","","90","","10149.1","1.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Uranium(IV) pentakis(methylenetrimethylsilane) lithium dodecakis(tert-butoxide) chloride","","- C68 H163 Cl Li14 O12 Si5 U -","- C68 H163 Cl Li14 O12 Si5 U -","- C272 H652 Cl4 Li56 O48 Si20 U4 -","4","1","","Skye Fortier; Brent C. Melot; Guang Wu; Trevor W. Hayton","Homoleptic Uranium(IV) Alkyl Complexes: Synthesis and Characterization","Journal of the American Chemical Society","2009","131","","15512","15521","10.1021/ja906516e","","","0.71073","MoKα","","0.0751","0.0448","","","0.0928","0.1116","","","","","","0.923","","","","has coordinates","178797","2020-10-21","18:00:00",""
"4105212","10.2093","0.0008","15.3491","0.0012","24.6786","0.0019","90","","90","","90","","3867.2","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Yb(HBPh3)2THF","bis(hydridotriphenylborato)tetrahydrofuran ytterbium(II)","","- C47 H48 B2 O Yb -","- C47 H48 B2 O Yb -","- C188 H192 B8 O4 Yb4 -","4","1","","KaKing Yan; Brianna M. Upton; Arkady Ellern; Aaron D. Sadow","Lewis Acid-Mediated β-Hydride Abstraction Reactions of Divalent M(C(SiHMe2)3)2THF2(M = Ca, Yb)","Journal of the American Chemical Society","2009","131","","15110","15111","10.1021/ja9070865","","","0.71073","MoKα","","0.0279","0.024","","","0.0544","0.0559","","","","","","1.006","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105225","14.311","0.003","18.36","0.004","21.044","0.004","90","","90","","90","","5529","2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H49.25 B3 Cl3.25 N O7 S0.75 -","- C59.203 H49.274 B3 Cl3.274 N O7 S0.783 -","- C236.812 H197.096 B12 Cl13.096 N4 O28 S3.132 -","4","1","","Gang Hu; Li Huang; Rui H. Huang; William D. Wulff","Evidence for a Boroxinate Based Brønsted Acid Derivative of VAPOL as the Active Catalyst in the Catalytic Asymmetric Aziridination Reaction","Journal of the American Chemical Society","2009","131","","15615","15617","10.1021/ja904589k","","","0.71073","MoKα","","0.1545","0.0895","","","0.2242","0.245","","","","","","1.413","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105226","12.865","0.003","17.944","0.004","21.546","0.004","90","","90","","90","","4973.9","1.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H47 B3 Cl2 N2 O7 -","- C60 H47 B3 Cl2 N2 O7 -","- C240 H188 B12 Cl8 N8 O28 -","4","1","","Gang Hu; Li Huang; Rui H. Huang; William D. Wulff","Evidence for a Boroxinate Based Brønsted Acid Derivative of VAPOL as the Active Catalyst in the Catalytic Asymmetric Aziridination Reaction","Journal of the American Chemical Society","2009","131","","15615","15617","10.1021/ja904589k","","","0.71073","MoKα","","0.083","0.0469","","","0.1174","0.1384","","","","","","0.894","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105230","11.2417","0.0005","14.6792","0.0006","21.3614","0.0009","90","","90","","90","","3525","0.3","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Cl N O2 P Rh Si2 -","- C36 H46 Cl N O2 P Rh Si2 -","- C144 H184 Cl4 N4 O8 P4 Rh4 Si8 -","4","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0","0.0453","","","0.0863","0.1035","","","","","","0.996","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105232","15.3754","0.0004","17.3853","0.0004","18.1214","0.0004","90","","90","","90","","4844","0.2","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H64 Cl N O4 P Rh -","- C51 H64 Cl N O4 P Rh -","- C204 H256 Cl4 N4 O16 P4 Rh4 -","4","1","","Derek M. Dalton; Kevin M. Oberg; Robert T. Yu; Ernest E. Lee; Stéphane Perreault; Mark Emil Oinen; Melissa L. Pease; Guillaume Malik; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [2 + 2 + 2] Cycloadditions of Terminal Alkynes and Alkenyl Isocyanates: Mechanistic Insights Lead to a Unified Model that Rationalizes Product Selectivity","Journal of the American Chemical Society","2009","131","","15717","15728","10.1021/ja905065j","","","0.71073","MoKα","","0.0916","0.0532","","","0.1025","0.1183","","","","","","1.006","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105235","11.365","0.002","15.798","0.003","17.117","0.003","90","","90","","90","","3073.3","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H47 P Si5 Zr -","- C22 H47 P Si5 Zr -","- C88 H188 P4 Si20 Zr4 -","4","1","","Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner","Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene","Journal of the American Chemical Society","2009","131","","15952","15962","10.1021/ja905654r","","","0.71073","MoKα","","0.1111","0.0646","","","0.1102","0.1255","","","","","","0.889","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105250","5.9791","0.0002","9.9546","0.0004","15.7432","0.0006","90","","90","","90","","937.03","0.06","173","","","","","","","","","","LOC ETH Zurich","4","P 21 21 21","P 2ac 2ab","19","","(2R,3S,4R,5R)-2,4,5-trichlorohexane-1,3-diol","","- C6 H11 Cl3 O2 -","- C6 H11 Cl3 O2 -","- C24 H44 Cl12 O8 -","4","1","","Christian Nilewski; Roger W. Geisser; Marc-Olivier Ebert; Erick M. Carreira","Conformational and Configurational Analysis in the Study and Synthesis of Chlorinated Natural Products","Journal of the American Chemical Society","2009","131","","15866","15876","10.1021/ja906461h","","","0.71073","MoKα","","0.0434","0.0389","","","0.1049","0.1124","","","","","","0.812","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105265","10.154","0.002","11.161","0.002","19.7","0.004","90","","90","","90","","2232.6","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C96 H108 N4 O24 -","4","1","","K. C. Nicolaou; G. Scott Tria; David J. Edmonds; Moumita Kar","Total Syntheses of (\±)-Platencin and (-)-Platencin","Journal of the American Chemical Society","2009","131","","15909","15917","10.1021/ja906801g","","","0.71073","MoKα","","0.095","0.0696","","","0.1569","0.169","","","","","","1.092","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105266","6.0634","0.0012","11.813","0.002","16.238","0.003","90","","90","","90","","1163.1","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C52 H80 O8 -","4","1","","K. C. Nicolaou; G. Scott Tria; David J. Edmonds; Moumita Kar","Total Syntheses of (\±)-Platencin and (-)-Platencin","Journal of the American Chemical Society","2009","131","","15909","15917","10.1021/ja906801g","","","0.71073","MoKα","","0.0465","0.0414","","","0.1136","0.1178","","","","","","1.069","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105275","13.177","0.0011","15.864","0.0014","16.2706","0.0014","90","","90","","90","","3401.2","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H22 B F15 Fe Zr -","- C39 H22 B F15 Fe Zr -","- C156 H88 B4 F60 Fe4 Zr4 -","4","1","","Alberto Ramos; Edwin Otten; Douglas W. Stephan","Stabilizing Zr and Ti Cations by Interaction With a Ferrocenyl Fragment","Journal of the American Chemical Society","2009","131","","15610","15611","10.1021/ja9077446","","","0.71073","MoKα","","0.0395","0.0301","","","0.0678","0.0714","","","","","","1.033","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105276","13.4146","0.0016","15.9532","0.0017","16.5904","0.0017","90","","90","","90","","3550.4","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H26 B F15 Fe Zr -","- C41 H26 B F15 Fe Zr -","- C164 H104 B4 F60 Fe4 Zr4 -","4","1","","Alberto Ramos; Edwin Otten; Douglas W. Stephan","Stabilizing Zr and Ti Cations by Interaction With a Ferrocenyl Fragment","Journal of the American Chemical Society","2009","131","","15610","15611","10.1021/ja9077446","","","0.71073","MoKα","","0.0628","0.0401","","","0.0757","0.0835","","","","","","1.014","","","","has coordinates","178798","2020-10-21","18:00:00",""
"4105330","14.485","0.003","19.552","0.004","29.126","0.006","90","","90","","90","","8249","3","153.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C75 H110 N2 O32 -","- C75 H110 N2 O32 -","- C300 H440 N8 O128 -","4","1","","Jun Terao; Susumu Tsuda; Yuji Tanaka; Kento Okoshi; Tetsuaki Fujihara; Yasushi Tsuji; Nobuaki Kambe","Synthesis of Organic-Soluble Conjugated Polyrotaxanes by Polymerization of Linked Rotaxanes","Journal of the American Chemical Society","2009","131","","16004","16005","10.1021/ja9074437","","","0.7107","MoKα","","","0.103","","","","0.2319","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105348","18.5035","0.0005","22.3371","0.0006","23.7134","0.0007","90","","90","","90","","9801.1","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H48 Cl16 N4 O18 Rh2 -","- C60 H48 Cl16 N4 O18 Rh2 -","- C240 H192 Cl64 N16 O72 Rh8 -","4","1","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","1.54178","CuKα","","0.0841","0.0713","","","0.2063","0.2189","","","","","","1.044","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105350","19.177","0.0003","22.7929","0.0003","23.4525","0.0003","90","","90","","90","","10251.1","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 Br16 N4 O18 Rh2 -","- C56 H42 Br16 N4 O18 Rh2 -","- C224 H168 Br64 N16 O72 Rh8 -","4","1","","Vincent N. G. Lindsay; Wei Lin; André B. Charette","Experimental Evidence for the All-Up Reactive Conformation of Chiral Rhodium(II) Carboxylate Catalysts: Enantioselective Synthesis of cis-Cyclopropane α-Amino Acids","Journal of the American Chemical Society","2009","131","","16383","16385","10.1021/ja9044955","","","1.54178","CuKα","","0.0559","0.0381","","","0.0812","0.0839","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4105368","5.2036","0.001","13.466","0.003","30.421","0.006","90","","90","","90","","2131.7","0.8","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Br N2 O4 S -","- C21 H23 Br N2 O4 S -","- C84 H92 Br4 N8 O16 S4 -","4","1","","K. C. Nicolaou; Ang Li; David J. Edmonds; G. Scott Tria; Shelby P. Ellery","Total Synthesis of Platensimycin and Related Natural Products","Journal of the American Chemical Society","2009","131","","16905","16918","10.1021/ja9068003","","","0.71073","MoKα","","0.0784","0.0553","","","0.1078","0.1165","","","","","","1.071","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105369","6.1733","0.0006","11.7996","0.0014","22.9584","0.0018","90","","90","","90","","1672.3","0.3","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2S,6R)-6-(benzyloxymethyl)-2-isopropyl-5,5-dimethyl-1,3-dioxan-4-ol","","- C17 H26 O4 -","- C17 H26 O4 -","- C68 H104 O16 -","4","1","","Morris Markert; Ulf Scheffler; Rainer Mahrwald","Asymmetric Histidine-Catalyzed Cross-Aldol Reactions of Enolizable Aldehydes: Access to Defined Configured Quaternary Stereogenic Centers","Journal of the American Chemical Society","2009","131","","16642","16643","10.1021/ja907054y","","","1.54186","CuKα","","0.0814","0.075","","","0.1963","0.2023","","","","","","1.06","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105392","10.38647","0.00014","13.1253","0.0002","22.924","0.0003","90","","90","","90","","3125.13","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 Cl2 P2 Pt Ti -","- C36 H30 Cl2 P2 Pt Ti -","- C144 H120 Cl8 P8 Pt4 Ti4 -","4","1","","Swagat K. Mohapatra; Susanne Büschel; Constantin Daniliuc; Peter G. Jones; Matthias Tamm","Selective Lithiation and Phosphane-Functionalization of [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of Early-Late Heterobimetallic Complexes","Journal of the American Chemical Society","2009","131","","17014","17023","10.1021/ja9080056","","","0.71073","MoKα","","0.0426","0.0299","","","0.0331","0.0337","","","","","","0.887","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105395","6.598","0.0013","10.743","0.002","26.511","0.005","90","","90","","90","","1879.2","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br O5 -","- C20 H21 Br O5 -","- C80 H84 Br4 O20 -","4","1","","Pingfan Li; Hisashi Yamamoto","Lewis Acid Catalyzed Inverse-Electron-Demand Diels-Alder Reaction of Tropones","Journal of the American Chemical Society","2009","131","","16628","16629","10.1021/ja908127f","","","0.71073","MoKα","","0.0433","0.0361","","","0.0691","0.0705","","","","","","0.908","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105397","7.1229","0.0004","7.75","0.0004","11.403","0.0007","90","","90","","90","","629.47","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-{(μ2-Chloro)-(μ2-dioxane-O,O')-lithium(i)}","","- C4 H8 Cl Li O2 -","- C4 H8 Cl Li O2 -","- C16 H32 Cl4 Li4 O8 -","4","1","","Liqun Jin; Chao Liu; Jing Liu; Fang Hu; Yu Lan; Andrei S. Batsanov; Judith A. K. Howard; Todd B. Marder; Aiwen Lei","Revelation of the Difference between Arylzinc Reagents Prepared from Aryl Grignard and Aryllithium Reagents Respectively: Kinetic and Structural Features","Journal of the American Chemical Society","2009","131","","16656","16657","10.1021/ja908198d","","","0.71073","MoKα","","0.0211","0.0201","","","0.0518","0.0523","","","","","","1.06","","","","has coordinates","178799","2020-10-21","18:00:00",""
"4105404","9.5836","0.0008","12.2635","0.0008","18.164","0.002","90","0.004","90","0.004","90","0.003","2134.8","0.3","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Kazuyuki Matsumura; Tadashi Mori; Yoshihisa Inoue","Wavelength Control of Diastereodifferentiating Paternó-Büchi Reaction of Chiral Cyanobenzoates with Diphenylethene through Direct versus Charge-Transfer Excitation","Journal of the American Chemical Society","2009","131","","17076","17077","10.1021/ja907156j","","","0.7107","MoKα","","","0.085","","","","0.082","","","","","","1.386","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105412","4.1182","0.0008","14.193","0.003","29.071","0.006","90","","90","","90","","1699.2","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br O3 -","- C21 H15 Br O3 -","- C84 H60 Br4 O12 -","4","1","","Xingwei Guo; Rong Yu; Haijun Li; Zhiping Li","Iron-Catalyzed Tandem Oxidative Coupling and Annulation: An Efficient Approach to Construct Polysubstituted Benzofurans","Journal of the American Chemical Society","2009","131","","17387","17393","10.1021/ja907568j","","","0.71073","MoKα","","0.1377","0.0375","","","0.0473","0.0581","","","","","","0.657","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105423","8.73624","0.00016","11.8091","0.0002","12.2419","0.0002","90","","90","","90","","1262.96","0.04","98.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Tatsuhiko Yoshino; Hiroyuki Morimoto; Gang Lu; Shigeki Matsunaga; Masakatsu Shibasaki","Construction of Contiguous Tetrasubstituted Chiral Carbon Stereocenters via Direct Catalytic Asymmetric Aldol Reaction of α-Isothiocyanato Esters with Ketones","Journal of the American Chemical Society","2009","131","","17082","17083","10.1021/ja908571w","","","1.54187","CuKα","","","0.0384","","","","0.1118","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4105462","11.992","0.004","14.491","0.005","15.118","0.005","90","","90","","90","","2627.1","1.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Me2NN]Cu(h2-ONAr)","","","- C29 H34 Cu N3 O -","- C29 H34 Cu N3 O -","- C116 H136 Cu4 N12 O4 -","4","1","","Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren","Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts","Journal of the American Chemical Society","2009","131","","18105","18111","10.1021/ja903550n","","","0.71073","MoKα","","0.1016","0.0518","","","0.1076","0.1211","","","","","","0.989","","","","has coordinates,has disorder","178800","2020-10-21","18:00:00",""
"4105479","10.4607","0.0005","14.0476","0.0005","16.0488","0.0006","90","","90","","90","","2358.33","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O Si -","- C25 H34 N2 O Si -","- C100 H136 N8 O4 Si4 -","4","1","","Danny C. Hsu; Polo C.-H. Lam; Carla Slebodnick; Paul R. Carlier","Complete Mapping of the Stereochemical Course of Retentive Deprotonation/Alkylation of 1H-Benzo[e][1,4]diazepin-2(3H)-ones","Journal of the American Chemical Society","2009","131","","18168","18176","10.1021/ja907507j","","x-ray","1.54178","CuKα","","0.047","0.0329","","","0.0646","0.0714","","","","","","0.915","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105480","5.4264","0.0005","8.6712","0.0007","32.044","0.003","90","","90","","90","","1507.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Stepan Chuprakov; Sen Wai Kwok; Li Zhang; Lukas Lercher; Valery V. Fokin","Rhodium-Catalyzed Enantioselective Cyclopropanation of Olefins with N-Sulfonyl 1,2,3-Triazoles","Journal of the American Chemical Society","2009","131","","18034","18035","10.1021/ja908075u","","","1.54178","CuKα","","0.0278","0.0254","","","0.0641","0.0652","","","","","","1.047","","","","has coordinates","178800","2020-10-21","18:00:00",""
"4105524","5.8955","0.0008","7.4844","0.001","28.011","0.004","90","","90","","90","","1236","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Israel Cano; Eleuterio Álvarez; M. Carmen Nicasio; Pedro J. Pérez","Regioselective Formation of 2,5-Disubstituted Oxazoles Via Copper(I)-Catalyzed Cycloaddition of Acyl Azides and 1-Alkynes","Journal of the American Chemical Society","2011","133","","191","193","10.1021/ja109732s","","","0.71073","MoKα","","0.0608","0.0508","","","0.1133","0.1184","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105540","4.999","0.0012","9.208","0.003","16.145","0.004","90","","90","","90","","743.2","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 F N2 O3 -","- C5 H9 F N2 O3 -","- C20 H36 F4 N8 O12 -","4","1","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.0297","0.0288","","","0.0719","0.0728","","","","","","1.092","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105541","4.9856","0.0008","9.1624","0.0013","16.117","0.002","90","","90","","90","","736.23","0.18","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 F N2 O3 -","- C5 H9 F N2 O3 -","- C20 H36 F4 N8 O12 -","4","1","","Wenchao Qu; Zhihao Zha; Karl Ploessl; Brian P. Lieberman; Lin Zhu; David R. Wise; Craig B. Thompson; Hank F. Kung","Synthesis of Optically Pure 4-Fluoro-Glutamines as Potential Metabolic Imaging Agents for Tumors","Journal of the American Chemical Society","2011","133","","1122","1133","10.1021/ja109203d","","","0.71073","MoKα","","0.026","0.0233","","","0.0562","0.0577","","","","","","1.08","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105561","5.9163","0.0011","11.863","0.002","26.721","0.005","90","","90","","90","","1875.4","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O2 S -","- C21 H28 O2 S -","- C84 H112 O8 S4 -","4","1","","Yandong Zhang; Jun Hee Lee; Samuel J. Danishefsky","Antarafacial Mediation of Oxygen Delivery by a Phenylsulfinyl Group in the Epoxidation of Proximal Double Bonds: Intramolecular Trapping of an Early Pummerer Intermediate with Stereoelectronic Control","Journal of the American Chemical Society","2011","133","","752","755","10.1021/ja1107707","","","0.71073","MoKα","","0.0701","0.0454","","","0.0873","0.0966","","","","","","1.017","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105570","8.7685","0.0009","14.598","0.0016","38.368","0.004","90","","90","","90","","4911.2","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H81 N O15 -","- C42 H81 N O15 -","- C168 H324 N4 O60 -","4","1","","Jian Tian; Scott J. Dalgarno; Jerry L. Atwood","A New Strategy of Transforming Pharmaceutical Crystal Forms","Journal of the American Chemical Society","2011","133","","1399","1404","10.1021/ja107617m","","","0.71073","MoKα","","0.0799","0.0573","","","0.1381","0.1501","","","","","","1.042","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105575","7.599","0.0001","11.92","0.0002","23.585","0.0004","90","","90","","90","","2136.33","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 O2 P S -","- C26 H23 O2 P S -","- C104 H92 O8 P4 S4 -","4","1","","Yi Ren; Thomas Baumgartner","Dually Switchable Heterotetracenes: Addressing the Photophysical Properties and Self-Organization of the P-S System","Journal of the American Chemical Society","2011","133","","1328","1340","10.1021/ja108081b","","","0.71073","MoKα","","0.0451","0.0421","","","0.1166","0.12","","","","","","1.153","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105579","9.8001","0.0003","17.2851","0.0008","19.9404","0.0005","90","","90","","90","","3377.8","0.2","291","2","291","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl3 F3 N O6 Pd S2 -","- C28 H33 Cl3 F3 N O6 Pd S2 -","- C112 H132 Cl12 F12 N4 O24 Pd4 S8 -","4","1","","Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu","Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones","Journal of the American Chemical Society","2011","133","","1466","1474","10.1021/ja108450m","","","1.54184","CuKα","","0.0651","0.05","","","0.1176","0.1225","","","","","","1.017","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105583","6.0541","0.0002","14.8692","0.0005","33.1481","0.0008","90","","90","","90","","2983.98","0.16","173","2","173","2","","","","","","","C. S. Lee / Prof. C. Forsyth","4","P 21 21 21","P 2ac 2ab","19","97051a","","","- C23 H39 N O7 -","- C23 H39 N O7 -","- C92 H156 N4 O28 -","4","1","","Bo Wang; T. Matthew Hansen; Ting Wang; Dimao Wu; Lynn Weyer; Lu Ying; Mary M. Engler; Melissa Sanville; Christopher Leitheiser; Mathias Christmann; Yingtao Lu; Jiehao Chen; Nicholas Zunker; Russell D. Cink; Feryan Ahmed; Chi-Sing Lee; Craig J. Forsyth","Total Synthesis of Phorboxazole A via de Novo Oxazole Formation: Strategy and Component Assembly","Journal of the American Chemical Society","2011","133","","1484","1505","10.1021/ja108906e","","","0.71073","MoKα","","0.0896","0.0578","","0.1417","0.133","","","","0.974","1.196","1.196","","","","","has coordinates","178801","2020-10-21","18:00:00",""
"4105596","11.06097","0.00014","22.5577","0.0003","32.3831","0.0005","90","","90","","90","","8079.91","0.19","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","STOE & CIE GmbH Hilpertstr. 10 D-64295 Darmstadt Germany","","- C96 H92 K O4 Sc Si4 -","- C96 H92 K O4 Sc Si4 -","- C384 H368 K4 O16 Sc4 Si16 -","4","1","","Volker Lorenz; Benjamin M. Schmiege; Cristian G. Hrib; Joseph W. Ziller; Anja Edelmann; Steffen Blaurock; William J. Evans; Frank T. Edelmann","Unprecedented Bending and Rearrangement of f-Element Sandwich Complexes Induced by Superbulky Cyclooctatetraenide Ligands","Journal of the American Chemical Society","2011","133","","1257","1259","10.1021/ja109604t","","","0.71073","MoKα","","0.0506","0.0427","","","0.0905","0.0931","","","","","","1.084","","","","has coordinates,has disorder","178801","2020-10-21","18:00:00",""
"4105601","14.7764","0.0004","15.6777","0.0005","19.5438","0.0006","90","","90","","90","","4527.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Sc3N@l,2-fullero[80(Ih)]benzyne (6,6 isomer) carbon disulfide disolvate","","","- C88 H4 N S4 Sc3 -","- C88 H4 N S4 Sc3 -","- C352 H16 N4 S16 Sc12 -","4","1","","Fang-Fang Li; Julio R. Pinzón; Brandon Q. Mercado; Marilyn M. Olmstead; Alan L. Balch; Luis Echegoyen","[2 + 2] Cycloaddition Reaction to Sc3N@Ih-C80. The Formation of Very Stable [5,6]- and [6,6]-Adducts","Journal of the American Chemical Society","2011","133","","1563","1571","10.1021/ja1097176","","","0.7749","syncrotron","","0.057","0.0555","","","0.1502","0.1523","","","","","","1.066","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105613","17.3916","0.0007","26.6355","0.0012","27.3497","0.0012","90","","90","","90","","12669.3","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63.5 H61 Al2 B F20 Si Zr -","- C63.5 H61 Al2 B F20 Si Zr -","- C508 H488 Al16 B8 F160 Si8 Zr8 -","8","2","","Steven M. Baldwin; John E. Bercaw; Lawrence M. Henling; Michael W. Day; Hans H. Brintzinger","Cationic Alkylaluminum-Complexed Zirconocene Hydrides: NMR-Spectroscopic Identification, Crystallographic Structure Determination, and Interconversion with Other Zirconocene Cations","Journal of the American Chemical Society","2011","133","","1805","1813","10.1021/ja1050428","","","0.71073","MoKα","","0.1201","0.0623","","","0.0749","0.0779","","","","","","1.804","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4105615","18.7387","0.0002","21.4365","0.0003","25.4175","0.0003","90","","90","","90","","10210","0.2","153","2","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 N4 O40 Si V2 W10 -","- C64 N4 O40 Si V2 W10 -","- C256 N16 O160 Si4 V8 W40 -","4","1","","Kazuhiro Uehara; Noritaka Mizuno","Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates","Journal of the American Chemical Society","2011","133","","1622","1625","10.1021/ja108245g","","x-ray","0.71069","MoKα","","","0.0449","","","","0.1491","","","","","","1.087","","","","has coordinates,has disorder","178802","2020-10-21","18:00:00",""
"4105625","6.7044","0.0016","10.749","0.003","26.506","0.007","90","","90","","90","","1910.2","0.9","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl2 N O Pt -","- C17 H25 Cl2 N O Pt -","- C68 H100 Cl8 N4 O4 Pt4 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.0396","","","","0.1053","","","","","","1.029","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105628","6.025","0.002","9.345","0.004","32.971","0.013","90","","90","","90","","1856.4","1.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","1","","Andrew DeAngelis; Valerie W. Shurtleff; Olga Dmitrenko; Joseph M. Fox","Rhodium(II)-Catalyzed Enantioselective C-H Functionalization of Indoles","Journal of the American Chemical Society","2011","133","","1650","1653","10.1021/ja1093309","","","0.71073","MoKα","","0.1163","0.0512","","","0.0677","0.0807","","","","","","1.021","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105639","8.3201","0.0004","15.3584","0.0007","20.827","0.0009","90","","90","","90","","2661.3","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl2 O4 -","- C31 H26 Cl2 O4 -","- C124 H104 Cl8 O16 -","4","1","","Xiaoyu Han; Youqing Wang; Fangrui Zhong; Yixin Lu","Enantioselective [3 + 2] Cycloaddition of Allenes to Acrylates Catalyzed by Dipeptide-Derived Phosphines: Facile Creation of Functionalized Cyclopentenes Containing Quaternary Stereogenic Centers","Journal of the American Chemical Society","2011","133","","1726","1729","10.1021/ja1106282","","","0.71073","MoKα","","0.1294","0.077","","","0.1388","0.1576","","","","","","1.031","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105688","6.3142","0.0011","19.786","0.003","26.184","0.004","90","","90","","90","","3271.2","0.9","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C152 H120 Br8 O32 -","8","2","","Dorine Belmessieri; Louis C. Morrill; Carmen Simal; Alexandra M. Z. Slawin; Andrew D. Smith","Organocatalytic Functionalization of Carboxylic Acids: Isothiourea-Catalyzed Asymmetric Intra- and Intermolecular Michael Addition-Lactonizations","Journal of the American Chemical Society","2011","133","","2714","2720","10.1021/ja109975c","","","0.71073","MoKα","","0.0503","0.0377","","","0.0647","0.0696","","","","","","0.943","","","","has coordinates","178802","2020-10-21","18:00:00",""
"4105710","10.1917","0.0004","17.7338","0.0007","20.2101","0.0008","90","","90","","90","","3652.7","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 Cl N5 O3 -","- C38 H46 Cl N5 O3 -","- C152 H184 Cl4 N20 O12 -","4","1","","Ting Ma; Xiao Fu; Choon Wee Kee; Lili Zong; Yuanhang Pan; Kuo-Wei Huang; Choon-Hong Tan","Pentanidium-Catalyzed Enantioselective Phase-Transfer Conjugate Addition Reactions","Journal of the American Chemical Society","2011","133","","2828","2831","10.1021/ja1098353","","","0.71073","MoKα","","0.0598","0.0523","","","0.1356","0.1418","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105740","6.4038","0.0002","19.3388","0.0005","22.3333","0.0005","90","","90","","90","","2765.8","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GWA303","toste23","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Asa D. Melhado; Giovanni W. Amarante; Z. Jane Wang; Marco Luparia; F. Dean Toste","Gold(I)-Catalyzed Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition and Mannich Reactions of Azlactones","Journal of the American Chemical Society","2011","133","","3517","3527","10.1021/ja1095045","","","1.54178","CuKα","","0.0782","0.0765","","","0.1738","0.1748","","","","","","1.089","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105747","9.772","0.0012","10.0074","0.0012","24.521","0.003","90","","90","","90","","2398","0.5","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N O -","- C31 H27 N O -","- C124 H108 N4 O4 -","4","1","","Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama","Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation","Journal of the American Chemical Society","2011","133","","3264","3267","10.1021/ja1102037","","","0.71073","MoKα","","0.0452","0.0391","","","0.1029","0.1057","","","","","","1.053","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105748","9.7598","0.0006","10.5782","0.0006","24.5736","0.0014","90","","90","","90","","2537","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N O Si -","- C28 H31 N O Si -","- C112 H124 N4 O4 Si4 -","4","1","","Yoshiaki Nakao; Eiji Morita; Hiroaki Idei; Tamejiro Hiyama","Dehydrogenative [4 + 2] Cycloaddition of Formamides with Alkynes through Double C-H Activation","Journal of the American Chemical Society","2011","133","","3264","3267","10.1021/ja1102037","","","0.71073","MoKα","","0.0682","0.0597","","","0.1678","0.1731","","","","","","1.025","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105758","5.4994","0.0001","11.142","0.0002","21.8188","0.0004","90","","90","","90","","1336.93","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang","Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis","Journal of the American Chemical Society","2011","133","","3304","3307","10.1021/ja111334j","","","1.54178","CuKα","","0.0347","0.0329","","","0.0827","0.084","","","","","","1.072","","","","has coordinates","273003","2022-02-17","12:14:56",""
"4105759","5.766","0.0001","13.9219","0.0002","18.1101","0.0002","90","","90","","90","","1453.76","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Br N O2 -","- C15 H14 Br N O2 -","- C60 H56 Br4 N4 O8 -","4","1","","Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang","Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis","Journal of the American Chemical Society","2011","133","","3304","3307","10.1021/ja111334j","","","1.54178","CuKα","","0.0211","0.0208","","","0.0524","0.0525","","","","","","1.094","","","","has coordinates","273003","2022-02-17","12:14:56",""
"4105760","5.5837","0.0002","11.977","0.0004","26.7431","0.0009","90","","90","","90","","1788.47","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S -","- C18 H23 N O2 S -","- C72 H92 N4 O8 S4 -","4","1","","Xin Cui; Xue Xu; Hongjian Lu; Shifa Zhu; Lukasz Wojtas; X. Peter Zhang","Enantioselective Cyclopropenation of Alkynes with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis","Journal of the American Chemical Society","2011","133","","3304","3307","10.1021/ja111334j","","","1.54178","CuKα","","0.0382","0.0347","","","0.0862","0.088","","","","","","1.049","","","","has coordinates,has disorder","178803","2020-10-21","18:00:00",""
"4105770","7.576","0.0006","14.5673","0.0013","18.378","0.0018","90","","90","","90","","2028.2","0.3","130","2","130","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","CDS002","CDS002","","- C13 H29 Co F6 N5 O P S -","- C13 H29 Co F6 N5 O P S -","- C52 H116 Co4 F24 N20 O4 P4 S4 -","4","1","","Rodney D. Swartz; Michael K. Coggins; Werner Kaminsky; Julie A. Kovacs","Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates","Journal of the American Chemical Society","2011","133","","3954","3963","10.1021/ja108749f","","","0.71073","MoKα","","0.1","0.0565","","","0.11","0.1281","","","","","","1.073","","","","has coordinates","178803","2020-10-21","18:00:00",""
"4105773","5.7947","0.0002","8.2165","0.0003","26.4454","0.0011","90","","90","","90","","1259.12","0.08","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O -","- C17 H16 O -","- C68 H64 O4 -","4","1","","Magnus Rueping; Uxue Uria; Ming-Yuan Lin; Iuliana Atodiresei","Chiral Organic Contact Ion Pairs in Metal-Free Catalytic Asymmetric Allylic Substitutions","Journal of the American Chemical Society","2011","133","","3732","3735","10.1021/ja110213t","","","1.54178","CuKα","","0.025","0.025","","0.03","","0.03","","","3.137","","","3.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4105851","6.716","0.004","10.752","0.006","26.541","0.014","90","","90","","90","","1916.5","1.9","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl2 N O Pt -","- C17 H25 Cl2 N O Pt -","- C68 H100 Cl8 N4 O4 Pt4 -","4","1","","Katsuhiko Tomooka; Takayuki Ezawa; Hiroko Inoue; Kazuhiro Uehara; Kazunobu Igawa","Dynamic Chirality of (E)-5-Cyclononen-1-one and its Enolate","Journal of the American Chemical Society","2011","133","","1754","1756","10.1021/ja1092375","","","0.7107","MoKα","","","0.073","","","","0.1602","","","","","","1.135","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105859","9.4","0.0018","10.1544","0.0019","30.775","0.006","90","","90","","90","","2937.5","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Cl N O7 -","- C30 H32 Cl N O7 -","- C120 H128 Cl4 N4 O28 -","4","1","","Bin Tan; Nuno R. Candeias; Carlos F. Barbas","Core-Structure-Motivated Design of a Phosphine-Catalyzed [3 + 2] Cycloaddition Reaction: Enantioselective Syntheses of Spirocyclopenteneoxindoles","Journal of the American Chemical Society","2011","133","","4672","4675","10.1021/ja110147w","","","0.71073","MoKα","","0.0359","0.0323","","","0.0755","0.0781","","","","","","1.04","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105871","7.6089","0.0005","11.0529","0.0008","15.906","0.0011","90","","90","","90","","1337.7","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N3 O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","","Benjamin J. Stokes; Sheng Liu; Tom G. Driver","Rh2(II)-Catalyzed Nitro-Group Migration Reactions: Selective Synthesis of 3-Nitroindoles from β-Nitro Styryl Azides","Journal of the American Chemical Society","2011","133","","4702","4705","10.1021/ja111060q","","","0.71073","MoKα","","0.0386","0.0358","","","0.0959","0.0976","","","","","","1.028","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105872","10.9831","0.0003","12.3901","0.0002","23.3125","0.0004","90","","90","","90","","3172.4","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 N5 O9 -","- C31 H35 N5 O9 -","- C124 H140 N20 O36 -","4","1","","Zhi-Jun Jia; Hao Jiang; Jun-Long Li; Björn Gschwend; Qing-Zhu Li; Xiang Yin; Julie Grouleff; Ying-Chun Chen; Karl Anker Jørgensen","Trienamines in Asymmetric Organocatalysis: Diels-Alder and Tandem Reactions","Journal of the American Chemical Society","2011","133","","5053","5061","10.1021/ja1112194","","","1.54184","CuKα","","0.0505","0.0472","","","0.128","0.131","","","","","","1.059","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105874","5.9374","0.0004","8.0353","0.0005","28.7626","0.0019","90","","90","","90","","1372.23","0.16","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C64 H60 Br4 O8 -","4","1","","Jørn H. Hansen; Timothy M. Gregg; Stephanie R. Ovalles; Yajing Lian; Jochen Autschbach; Huw M. L. Davies","On the Mechanism and Selectivity of the Combined C-H Activation/Cope Rearrangement","Journal of the American Chemical Society","2011","133","","5076","5085","10.1021/ja111408v","","","0.71073","MoKα","","0.0465","0.0337","","","0.0594","0.0629","","","","","","0.927","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105883","5.8881","0.0002","12.0278","0.0003","24.8051","0.0007","90","","90","","90","","1756.72","0.09","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br N2 O -","- C22 H17 Br N2 O -","- C88 H68 Br4 N8 O4 -","4","1","","Kevin M. Oberg; Tomislav Rovis","Enantioselective Rhodium-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Isocyanates","Journal of the American Chemical Society","2011","133","","4785","4787","10.1021/ja200766k","","","0.71073","MoKα","","0.0869","0.0497","","","0.1249","0.1933","","","","","","1.143","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105892","6.5385","0.0003","11.894","0.0006","19.4196","0.0009","90","","90","","90","","1510.24","0.12","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","","Jennifer A. Dabrowski; Fang Gao; Amir H. Hoveyda","Enantioselective Synthesis of Alkyne-Substituted Quaternary Carbon Stereogenic Centers through NHC-Cu-Catalyzed Allylic Substitution Reactions with (i-Bu)2(Alkynyl)aluminum Reagents","Journal of the American Chemical Society","2011","133","","4778","4781","10.1021/ja2010829","","","1.54178","CuKα","","0.0278","0.0271","","","0.0719","0.0726","","","","","","1.056","","","","has coordinates","178804","2020-10-21","18:00:00",""
"4105910","8.3457","0.0005","20.6561","0.0012","44.304","0.002","90","","90","","90","","7637.5","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","AG05-28","toste32","","- C84 H57 Au Cl F12 N O2 P -","- C84 H57 Au Cl F12 N O2 P -","- C336 H228 Au4 Cl4 F48 N4 O8 P4 -","4","1","","Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; William A. Goddard; F. Dean Toste","Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines","Journal of the American Chemical Society","2011","133","","5500","5507","10.1021/ja200084a","","","1.54178","CuKα","","0.133","0.113","","","0.2939","0.3096","","","","","","1.078","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4105913","5.8083","0.0014","8.793","0.002","16.785","0.004","90","","90","","90","","857.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H2 I2 K O9 V -","- H2 I2 K O9 V -","- H8 I8 K4 O36 V4 -","4","1","","Chuan-Fu Sun; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System","Journal of the American Chemical Society","2011","133","","5561","5572","10.1021/ja200257a","","","0.71073","MoKα","","0.0308","0.0302","","","0.0716","0.0723","","","","","","1.061","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105919","13.2256","0.0007","13.4893","0.0007","15.221","0.0008","90","","90","","90","","2715.5","0.2","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Bi N2 O2 -","- C28 H37 Bi N2 O2 -","- C112 H148 Bi4 N8 O8 -","4","1","","Ian J. Casely; Joseph W. Ziller; Ming Fang; Filipp Furche; William J. Evans","Facile Bismuth-Oxygen Bond Cleavage, C-H Activation, and Formation of a Monodentate Carbon-Bound Oxyaryl Dianion, (C6H2tBu2-3,5-O-4)2-","Journal of the American Chemical Society","2011","133","","5244","5247","10.1021/ja201128d","","","0.71073","MoKα","","0.0152","0.0146","","","0.0356","0.0358","","","","","","1.026","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105927","4.752","0.0004","13.15","0.0004","15.353","0.0011","90","","90","","90","","959.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","apsph","","","- C10 H6 O S3 -","- C10 H6 O S3 -","- C40 H24 O4 S12 -","4","1","","Richard S. Grainger; Bhaven Patel; Benson M. Kariuki; Louise Male; Neil Spencer","Sulfur Monoxide Transfer from peri-Substituted Trisulfide-2-oxides to Dienes: Substituent Effects, Mechanistic Studies and Application in Thiophene Synthesis","Journal of the American Chemical Society","2011","133","","5843","5852","10.1021/ja108865w","","","0.71073","MoKα","","0.0512","0.0402","","","0.089","0.0935","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4105952","4.9131","0.0011","8.5738","0.0019","24.007","0.005","90","","90","","90","","1011.3","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.0502","0.0471","","","0.1205","0.1229","","","","","","1.096","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105953","8.562","0.0017","12.833","0.003","22.116","0.004","90","","90","","90","","2430","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N O3 -","- C28 H35 N O3 -","- C112 H140 N4 O12 -","4","1","","Ying L. Zhang; Jie Zhang; Nan Jiang; Yan H. Lu; Lu Wang; Su H. Xu; Wei Wang; Gao F. Zhang; Qiang Xu; Hui M. Ge; Jing Ma; Yong C. Song; Ren X. Tan","Immunosuppressive Polyketides from Mantis-Associated Daldinia eschscholzii","Journal of the American Chemical Society","2011","133","","5931","5940","10.1021/ja110932p","","","0.71073","MoKα","","0.0934","0.0592","","","0.1392","0.1607","","","","","","1.013","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105978","9.1108","0.0007","18.1931","0.0014","29.074","0.002","90","","90","","90","","4819.1","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Cp'LuMe2]3","","","- C42 H81 Lu3 Si3 -","- C42 H81 Lu3 Si3 -","- C168 H324 Lu12 Si12 -","4","1","","Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou","Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of ""(C5Me4SiMe3)LnCH2"" Units (Ln = Tm, Lu)","Journal of the American Chemical Society","2011","133","","5712","5715","10.1021/ja200540b","","","0.71073","MoKα","","0.0266","0.0242","","","0.0489","0.0495","","","","","","0.971","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105990","8.6793","0.0005","10.6231","0.0006","15.093","0.0009","90","","90","","90","","1391.59","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 B N O P -","- C13 H21 B N O P -","- C52 H84 B4 N4 O4 P4 -","4","1","","Thierry León; Antoni Riera; Xavier Verdaguer","Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines","Journal of the American Chemical Society","2011","133","","5740","5743","10.1021/ja200988c","","","0.71073","MoKα","","0.0376","0.0332","","","0.0892","0.0918","","","","","","1.073","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4105992","9.8349","0.0006","13.008","0.0008","14.6147","0.0011","90","","90","","90","","1869.7","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 B N O P -","- C19 H27 B N O P -","- C76 H108 B4 N4 O4 P4 -","4","1","","Thierry León; Antoni Riera; Xavier Verdaguer","Stereoselective Synthesis of P-Stereogenic Aminophosphines: Ring Opening of Bulky Oxazaphospholidines","Journal of the American Chemical Society","2011","133","","5740","5743","10.1021/ja200988c","","","0.71073","MoKα","","0.0424","0.0372","","","0.0945","0.0979","","","","","","1.107","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4105993","7.5821","0.0007","10.1241","0.0009","23.702","0.002","90","","90","","90","","1819.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 B10 O -","- C12 H24 B10 O -","- C48 H96 B40 O4 -","4","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Regioselective Insertion of Carborynes into Ethereal C-H Bond: Facile Synthesis of α-Carboranylated Ethers","Journal of the American Chemical Society","2011","133","","5760","5763","10.1021/ja201126h","","","0.71073","MoKα","","0.0769","0.0527","","","0.1332","0.1507","","","","","","1.057","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105994","7.1977","0.0004","9.1857","0.0005","22.8755","0.0012","90","","90","","90","","1512.43","0.14","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H19 B10 I O -","- C6 H19 B10 I O -","- C24 H76 B40 I4 O4 -","4","1","","Sunewang R. Wang; Zaozao Qiu; Zuowei Xie","Regioselective Insertion of Carborynes into Ethereal C-H Bond: Facile Synthesis of α-Carboranylated Ethers","Journal of the American Chemical Society","2011","133","","5760","5763","10.1021/ja201126h","","","0.71073","MoKα","","0.0173","0.0171","","","0.0452","0.0453","","","","","","1.141","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4105996","5.8949","0.0001","12.0754","0.0002","22.2647","0.0004","90","","90","","90","","1584.87","0.05","180","2","180","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","RajanBabu 1584","","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Daniel J. Mans; G. Adam Cox; T. V. RajanBabu","Ethylene in Organic Synthesis. Repetitive Hydrovinylation of Alkenes for Highly Enantioselective Syntheses of Pseudopterosins","Journal of the American Chemical Society","2011","133","","5776","5779","10.1021/ja201321v","","x-ray","0.71073","MoKα","","0.0497","0.0376","","","0.0915","0.0982","","","","","","1.028","","","","has coordinates","178805","2020-10-21","18:00:00",""
"4106002","7.12514","0.00013","8.22811","0.00015","30.7815","0.0006","90","","90","","90","","1804.61","0.06","118.1","","118.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N3 O9 -","- C16 H19 N3 O9 -","- C64 H76 N12 O36 -","4","1","","Yingjie Xu; Luqing Lin; Motomu Kanai; Shigeki Matsunaga; Masakatsu Shibasaki","Catalytic Asymmetric Ring-Opening of meso-Aziridines with Malonates under Heterodinuclear Rare Earth Metal Schiff Base Catalysis","Journal of the American Chemical Society","2011","133","","5791","5793","10.1021/ja201492x","","","1.54187","CuKα","","","0.0409","","","","0.1293","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106019","7.263","0.001","15.448","0.002","18.549","0.002","90","","90","","90","","2081.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl2 Cu N4 S -","- C18 H22 Cl2 Cu N4 S -","- C72 H88 Cl8 Cu4 N16 S4 -","4","1","","Tardito, Saverio; Bassanetti, Irene; Bignardi, Chiara; Elviri, Lisa; Tegoni, Matteo; Mucchino, Claudio; Bussolati, Ovidio; Franchi-Gazzola, Renata; Marchiò, Luciano","Copper Binding Agents Acting as Copper Ionophores Lead to Caspase Inhibition and Paraptotic Cell Death in Human Cancer Cells","Journal of the American Chemical Society","2011","133","16","6235","6242","10.1021/ja109413c","","","0.71073","MoKα","","0.0485","0.0336","","","0.0755","0.0821","","","","","","1.034","","","","has coordinates","219282","2020-10-21","18:00:00",""
"4106055","9.0827","0.0012","11.2356","0.0014","18.831","0.002","90","","90","","90","","1921.7","0.4","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O4 -","- C21 H22 Br N O4 -","- C84 H88 Br4 N4 O16 -","4","1","","Keiji Mori; Kensuke Ehara; Kazuki Kurihara; Takahiko Akiyama","Selective Activation of Enantiotopic C(sp3)-Hydrogen by Means of Chiral Phosphoric Acid: Asymmetric Synthesis of Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2011","133","","6166","6169","10.1021/ja2014955","","","0.71073","MoKα","","0.0311","0.0278","","","0.0642","0.0653","","","","","","1.003","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106099","9.209","0.0018","11.415","0.002","25.719","0.005","90","","90","","90","","2703.6","0.9","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl N4 Ni -","- C30 H29 Cl N4 Ni -","- C120 H116 Cl4 N16 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0442","0.0423","","","0.104","0.106","","","","","","1.112","","","","has coordinates","178806","2020-10-21","18:00:00",""
"4106100","11.3515","0.0005","13.3682","0.0012","19.724","0.002","90","","90","","90","","2993.1","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Cl N4 Ni -","- C32 H33 Cl N4 Ni -","- C128 H132 Cl4 N16 Ni4 -","4","1","","Peng Ren; Oleg Vechorkin; Kim von Allmen; Rosario Scopelliti; Xile Hu","A Structure-Activity Study of Ni-Catalyzed Alkyl-Alkyl Kumada Coupling. Improved Catalysts for Coupling of Secondary Alkyl Halides","Journal of the American Chemical Society","2011","133","","7084","7095","10.1021/ja200270k","","","0.71073","MoKα","","0.0389","0.0306","","","0.0568","0.0599","","","","","","1.091","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106105","8.15817","0.00015","12.4378","0.0002","13.4449","0.0003","90","","90","","90","","1364.25","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,4aS,8R,8aS)-8-hydroxy-4'-methyl-3,4,4a,5,6,7,8,8a- octahydro-2H-spiro[naphthalene-1,6'-[1,2]oxazine]-4a-carbonitrile","","- C15 H20 N2 O2 -","- C15 H20 N2 O2 -","- C60 H80 N8 O8 -","4","1","","Hiroki Oguri; Takahisa Hiruma; Yutaka Yamagishi; Hideaki Oikawa; Aki Ishiyama; Kazuhiko Otoguro; Haruki Yamada; Satoshi Ōmura","Generation of Anti-trypanosomal Agents through Concise Synthesis and Structural Diversification of Sesquiterpene Analogues","Journal of the American Chemical Society","2011","133","","7096","7105","10.1021/ja200374q","","","1.54187","CuKα","","0.0368","0.0317","","","0.0719","0.0778","","","","","","1.126","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106121","8.5255","0.0002","10.0064","0.0002","28.4762","0.0005","90","","90","","90","","2429.29","0.09","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-Benzoic acid 4-(diethoxyphosphorylmethylene)-1- (toluene-4-sulfonyl)pyrrolidin-3-yl ester","","- C23 H28 N O7 P S -","- C23 H28 N O7 P S -","- C92 H112 N4 O28 P4 S4 -","4","1","","Kengo Masuda; Norifumi Sakiyama; Rie Tanaka; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Cyclizations of γ-Alkynylaldehydes with Acyl Phosphonates: Ligand- and Substituent-Controlled C-P or C-H Bond Cleavage","Journal of the American Chemical Society","2011","133","","6918","6921","10.1021/ja201337x","","","1.54187","CuKα","","0.0442","0.0393","","","0.1066","0.1127","","","","","","0.993","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106132","10.5474","0.0003","15.6796","0.0005","19.1646","0.0006","90","","90","","90","","3169.42","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 Cl2 N2 O Ru -","- C33 H42 Cl2 N2 O Ru -","- C132 H168 Cl8 N8 O4 Ru4 -","4","1","","Renee M. Thomas; Benjamin K. Keitz; Timothy M. Champagne; Robert H. Grubbs","Highly Selective Ruthenium Metathesis Catalysts for Ethenolysis","Journal of the American Chemical Society","2011","133","","7490","7496","10.1021/ja200246e","","","0.71073","MoKα","","0.0306","0.025","","","0.0341","0.0349","","","","","","1.069","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106137","10.95","0.004","18.517","0.007","21.354","0.007","90","","90","","90","","4330","3","223.1","","223","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H42 F6 Ir N2 P3 -","- C45 H40 F6 Ir N2 P3 -","- C180 H160 F24 Ir4 N8 P12 -","4","1","","Graham E. Dobereiner; Ainara Nova; Nathan D. Schley; Nilay Hazari; Scott J. Miller; Odile Eisenstein; Robert H. Crabtree","Iridium-Catalyzed Hydrogenation of N-Heterocyclic Compounds under Mild Conditions by an Outer-Sphere Pathway","Journal of the American Chemical Society","2011","133","","7547","7562","10.1021/ja2014983","","","0.71075","MoKα","","","0.069","","","","0.104","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106140","14.4995","0.0007","17.405","0.0011","21.6522","0.0012","90","","90","","90","","5464.2","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H72 Mg2 N8 O2 -","- C61 H72 Mg2 N8 O2 -","- C244 H288 Mg8 N32 O8 -","4","1","","James W. Leeland; Fraser J. White; Jason B. Love","Encapsulation of a Magnesium Hydroxide Cubane by a Bowl-Shaped Polypyrrolic Schiff Base Macrocycle","Journal of the American Chemical Society","2011","133","","7320","7323","10.1021/ja201630b","","","0.71073","MoKα","","0.0692","0.0477","","","0.0906","0.1001","","","","","","1.018","","","","has coordinates,has disorder","178807","2020-10-21","18:00:00",""
"4106156","12.015","0.002","12.534","0.002","16.724","0.003","90","","90","","90","","2518.6","0.7","205","2","205","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ryan","","","- C26 H39 N O7 -","- C26 H39 N O7 -","- C104 H156 N4 O28 -","4","1","","Jun Shi; Georg Manolikakes; Chien-Hung Yeh; Carlos A. Guerrero; Ryan A. Shenvi; Hiroki Shigehisa; Phil S. Baran","Scalable Synthesis of Cortistatin A and Related Structures","Journal of the American Chemical Society","2011","133","","8014","8027","10.1021/ja202103e","","","0.71073","MoKα","","0.1123","0.0997","","","0.2211","0.2278","","","","","","1.257","","","","has coordinates","178807","2020-10-21","18:00:00",""
"4106200","7.1862","0.0003","11.0021","0.0005","27.7885","0.0013","90","","90","","90","","2197.05","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C22H29BrN2O2","","","- C22 H29 Br N2 O2 -","- C22 H29 Br N2 O2 -","- C88 H116 Br4 N8 O8 -","4","1","","Sarah E. Wengryniuk; Daniel Lim; Don M. Coltart","Regioselective Asymmetric α,α-Bisalkylation of Ketones via Complex-Induced Syn-Deprotonation of Chiral N-Amino Cyclic Carbamate Hydrazones","Journal of the American Chemical Society","2011","133","","8714","8720","10.1021/ja202267k","","","0.71073","MoKα","","0.1181","0.0568","","","0.1446","0.1776","","","","","","1.022","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106201","6.735","0.001","10.415","0.002","31.635","0.004","90","","90","","90","","2219","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C23H29BrN2O2","","","- C23 H29 Br N2 O2 -","- C23 H29 Br N2 O2 -","- C92 H116 Br4 N8 O8 -","4","1","","Sarah E. Wengryniuk; Daniel Lim; Don M. Coltart","Regioselective Asymmetric α,α-Bisalkylation of Ketones via Complex-Induced Syn-Deprotonation of Chiral N-Amino Cyclic Carbamate Hydrazones","Journal of the American Chemical Society","2011","133","","8714","8720","10.1021/ja202267k","","","0.71073","MoKα","","0.0538","0.0357","","","0.0805","0.0878","","","","","","1.035","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106216","6.6184","0.0006","8.4914","0.0007","28.927","0.003","90","","90","","90","","1625.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","VRT-2-160","toste44","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Vivek Rauniyar; Z. Jane Wang; Heather E. Burks; F. Dean Toste","Enantioselective Synthesis of Highly Substituted Furans by a Copper(II)-Catalyzed Cycloisomerization-Indole Addition Reaction","Journal of the American Chemical Society","2011","133","","8486","8489","10.1021/ja202959n","","","1.54178","CuKα","","0.026","0.0259","","","0.0668","0.0669","","","","","","1.059","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4106226","18.3531","0.0004","18.8032","0.0004","26.5436","0.0006","90","","90","","90","","9160.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C113 H81 Cl3 Co2 N8 O4 -","- C113 H81 Cl3 Co2 N8 O4 -","- C452 H324 Cl12 Co8 N32 O16 -","4","1","","Hongjian Lu; Wojciech I. Dzik; Xue Xu; Lukasz Wojtas; Bas de Bruin; X. Peter Zhang","Experimental Evidence for Cobalt(III)-Carbene Radicals: Key Intermediates in Cobalt(II)-Based Metalloradical Cyclopropanation","Journal of the American Chemical Society","2011","133","","8518","8521","10.1021/ja203434c","","","1.54178","CuKα","","0.0929","0.0535","","","0.1063","0.1202","","","","","","1.012","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106244","8.42","0.006","12.337","0.008","14.455","0.009","90","","90","","90","","1501.5","1.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl O2 -","- C18 H17 Cl O2 -","- C72 H68 Cl4 O8 -","4","1","","Zhi-Min Chen; Qing-Wei Zhang; Zhi-Hua Chen; Hui Li; Yong-Qiang Tu; Fu-Min Zhang; Jin-Miao Tian","Organocatalytic Asymmetric Halogenation/Semipinacol Rearrangement: Highly Efficient Synthesis of Chiral α-Oxa-Quaternary β-Haloketones","Journal of the American Chemical Society","2011","133","","8818","8821","10.1021/ja201794v","","","0.71073","MoKα","","0.0847","0.0514","","","0.0784","0.0875","","","","","","0.988","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106272","9.686","0.002","16.213","0.005","21.63","0.005","90","","90","","90","","3396.8","1.5","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 B F2 N3 O7 -","- C33 H48 B F2 N3 O7 -","- C132 H192 B4 F8 N12 O28 -","4","1","","Hiromitsu Maeda; Kazumasa Naritani; Yoshihito Honsho; Shu Seki","Anion Modules: Building Blocks of Supramolecular Assemblies by Combination with π-Conjugated Anion Receptors","Journal of the American Chemical Society","2011","133","","8896","8899","10.1021/ja203880d","","","0.71075","MoKα","","0.063","0.0427","","","0.0869","0.0933","","","","","","1.039","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106291","11.0448","0.0003","12.0393","0.0003","20.2019","0.0005","90","","90","","90","","2686.28","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Li N3 O7 -","- C10 H18 Li N3 O7 -","- C80 H144 Li8 N24 O56 -","8","2","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.0337","0.0314","","","0.0799","0.0812","","","","","","1.045","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106292","9.5219","0.0009","9.5664","0.0009","15.0812","0.0012","90","","90","","90","","1373.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Li N3 O7 -","- C10 H18 Li N3 O7 -","- C40 H72 Li4 N12 O28 -","4","1","","Tien Teng Ong; Padmini Kavuru; Thanhha Nguyen; Ryan Cantwell; Łukasz Wojtas; Michael J. Zaworotko","2:1 Cocrystals of Homochiral and Achiral Amino Acid Zwitterions with Li+ Salts: Water-Stable Zeolitic and Diamondoid Metal-Organic Materials","Journal of the American Chemical Society","2011","133","","9224","9227","10.1021/ja203002w","","","1.54178","CuKα","","0.064","0.0576","","","0.1454","0.1504","","","","","","1.046","","","","has coordinates","178808","2020-10-21","18:00:00",""
"4106308","6.9858","0.0003","13.2211","0.0006","22.1961","0.0009","90","","90","","90","","2050.03","0.15","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Bin Xiao; Tian-Jun Gong; Zhao-Jing Liu; Jing-Hui Liu; Dong-Fen Luo; Jun Xu; Lei Liu","Synthesis of Dibenzofurans via Palladium-Catalyzed Phenol-Directed C-H Activation/C-O Cyclization","Journal of the American Chemical Society","2011","133","","9250","9253","10.1021/ja203335u","","","1.54184","CuKα","","0.0568","0.0455","","","0.1199","0.1302","","","","","","1.029","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106365","11.059","0.0003","12.0323","0.0003","15.5916","0.0004","90","","90","","90","","2074.7","0.09","93.1","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl Ir N O3 -","- C20 H29 Cl Ir N O3 -","- C80 H116 Cl4 Ir4 N4 O12 -","4","1","","Nathan D. Schley; James D. Blakemore; Navaneetha K. Subbaiyan; Christopher D. Incarvito; Francis D'Souza; Robert H. Crabtree; Gary W. Brudvig","Distinguishing Homogeneous from Heterogeneous Catalysis in Electrode-Driven Water Oxidation with Molecular Iridium Complexes","Journal of the American Chemical Society","2011","133","","10473","10481","10.1021/ja2004522","","","0.71075","MoKα","","","0.0265","","","","0.05","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106385","5.8072","0.0003","12.3826","0.0005","22.37","0.0009","90","","90","","90","","1608.59","0.12","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O3 -","- C17 H20 Br N O3 -","- C68 H80 Br4 N4 O12 -","4","1","","Daniel A. DiRocco; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Enals with Nitroalkenes: Enhancement of Catalytic Efficiency through Bifunctional Additives","Journal of the American Chemical Society","2011","133","","10402","10405","10.1021/ja203810b","","","0.71073","MoKα","","0.0619","0.0379","","","0.0931","0.1594","","","","","","1.179","","","","has coordinates","178809","2020-10-21","18:00:00",""
"4106419","9.5513","0.0002","9.6961","0.0002","20.0734","0.0006","90","","90","","90","","1859","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 O2 P -","- C20 H27 O2 P -","- C80 H108 O8 P4 -","4","1","","David Gatineau; Laurent Giordano; Gérard Buono","Bulky, Optically Active P-Stereogenic Phosphine-Boranes from Pure H-Menthylphosphinates","Journal of the American Chemical Society","2011","133","","10728","10731","10.1021/ja2034816","","x-ray","0.71073","MoKα","","0.1063","0.0602","","","0.1682","0.2272","","","","","","1.237","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106426","15.1283","0.0004","15.9902","0.0004","16.2625","0.0004","90","","90","","90","","3933.97","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H45 Cl3 N8 O2 -","- C43 H45 Cl3 N8 O2 -","- C172 H180 Cl12 N32 O8 -","4","1","","Sunkyu Han; Mohammad Movassaghi","Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines","Journal of the American Chemical Society","2011","133","","10768","10771","10.1021/ja204597k","","","1.54178","CuKα","","0.0306","0.0305","","","0.0823","0.0824","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106428","7.3013","0.0002","7.5801","0.0002","32.8941","0.0008","90","","90","","90","","1820.51","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N4 O2 -","- C22 H22 N4 O2 -","- C88 H88 N16 O8 -","4","1","","Sunkyu Han; Mohammad Movassaghi","Concise Total Synthesis and Stereochemical Revision of all (-)-Trigonoliimines","Journal of the American Chemical Society","2011","133","","10768","10771","10.1021/ja204597k","","","1.54178","CuKα","","0.0309","0.0306","","","0.0798","0.0802","","","","","","1.056","","","","has coordinates","178810","2020-10-21","18:00:00",""
"4106478","8.902","0.002","11.717","0.003","23.448","0.006","90","","90","","90","","2445.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33.5 N O8 P2 -","- C19 H33 N O8 P2 -","- C76 H132 N4 O32 P8 -","4","1","","Zhi-Yong Xue; Qing-Hua Li; Hai-Yan Tao; Chun-Jiang Wang","A Facile Cu(I)/TF-Bipham Phos-Catalyzed Asymmetric Approach to Unnatural α-Amino Acid Derivatives Containinggem-Bisphosphonates","Journal of the American Chemical Society","2011","133","","11757","11765","10.1021/ja2043563","","","0.71073","MoKα","","0.0953","0.0695","","","0.1746","0.186","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4106486","13.13813","0.00009","21.35767","0.00018","25.9754","0.0002","90","","90","","90","","7288.69","0.1","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H61 B2 F24 Ir N P3 -","- C53 H61 B2 F24 Ir N P3 -","- C212 H244 B8 F96 Ir4 N4 P12 -","4","1","","Michael O'Neill; David A. Addy; Ian Riddlestone; Michael Kelly; Nicholas Phillips; Simon Aldridge","Borane to Boryl Hydride to Borylene Dihydride: Explicit Demonstration of Boron-to-Metal α-Hydride Migration in Aminoborane Activation","Journal of the American Chemical Society","2011","133","","11500","11503","10.1021/ja2050748","","","1.54184","CuKα","","0.0715","0.0692","","0.1997","0.1954","0.1997","","","","","","0.9868","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4106510","9.47605","0.00007","18.88054","0.00014","20.51762","0.00018","90","","90","","90","","3670.87","0.05","293","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 B11 Cl8 Si -","- C25 H31 B11 Cl8 Si -","- C100 H124 B44 Cl32 Si4 -","4","1","","Paola Romanato; Simon Duttwyler; Anthony Linden; Kim K. Baldridge; Jay S. Siegel","Competition between π-Arene and Lone-Pair Halogen Coordination of Silylium Ions?","Journal of the American Chemical Society","2011","133","","11844","11846","10.1021/ja2040392","","","0.71073","MoKα","","0.0339","0.028","","","0.0687","0.0702","","","","","","1.026","","","","has coordinates","178811","2020-10-21","18:00:00",""
"4106518","8.3572","0.0003","12.4724","0.0004","26.0754","0.0008","90","","90","","90","","2717.95","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O4 -","- C31 H36 N2 O4 -","- C124 H144 N8 O16 -","4","1","","Yuji Fujiwara; Gregory C. Fu","Application of a New Chiral Phosphepine to the Catalytic Asymmetric Synthesis of Highly Functionalized Cyclopentenes That Bear an Array of Heteroatom-Substituted Quaternary Stereocenters","Journal of the American Chemical Society","2011","133","","12293","12297","10.1021/ja2049012","","","1.54178","CuKα","","0.0256","0.0254","","","0.0653","0.0657","","","","","","1.037","","","","has coordinates,has disorder","178811","2020-10-21","18:00:00",""
"4106627","8.2364","0.0005","9.6818","0.0006","26.1298","0.0016","90","","90","","90","","2083.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","YMW-V-48B","toste43","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Yi-Ming Wang; Christian N. Kuzniewski; Vivek Rauniyar; Christina Hoong; F. Dean Toste","Chiral (Acyclic Diaminocarbene)Gold(I)-Catalyzed Dynamic Kinetic Asymmetric Transformation of Propargyl Esters","Journal of the American Chemical Society","2011","133","","12972","12975","10.1021/ja205068j","","","1.54178","CuKα","","0.0322","0.0313","","","0.0822","0.0834","","","","","","1.065","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4106630","16.8225","0.0014","18.5882","0.0015","24.389","0.002","90","","90","","90","","7626.4","1.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C82 H132 O2 Th2 -","- C82 H132 O2 Th2 -","- C328 H528 O8 Th8 -","4","1","","Wenshan Ren; Guofu Zi; De-Cai Fang; Marc D. Walter","Thorium Oxo and Sulfido Metallocenes: Synthesis, Structure, Reactivity, and Computational Studies","Journal of the American Chemical Society","2011","133","","13183","13196","10.1021/ja205280k","","","0.71073","MoKα","","0.0704","0.0469","","","0.0834","0.0931","","","","","","0.958","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106643","6.1943","0.0007","11.4203","0.0013","15.7536","0.0018","90","","90","","90","","1114.4","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H19 B K N Si -","- C7 H19 B K N Si -","- C28 H76 B4 K4 N4 Si4 -","4","1","","Wei Luo; Lev N. Zakharov; Shih-Yuan Liu","1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity","Journal of the American Chemical Society","2011","133","","13006","13009","10.1021/ja206497x","","","0.71073","MoKα","","0.0272","0.0253","","","0.0624","0.0636","","","","","","1.064","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106690","13.0968","0.0006","14.0641","0.0007","23.0032","0.0011","90","","90","","90","","4237.1","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 O2 P2 Ru -","- C56 H42 O2 P2 Ru -","- C224 H168 O8 P8 Ru4 -","4","1","","Johanna M. Blacquiere; Carolyn S. Higman; Robert McDonald; Deryn E. Fogg","A Reactive Ru-Binaphtholate Building Block with Self-Tuning Hapticity","Journal of the American Chemical Society","2011","133","","14054","14062","10.1021/ja204767a","","","0.71073","MoKα","","0.0337","0.0268","","","0.0535","0.0561","","","","","","1.027","","","","has coordinates","178812","2020-10-21","18:00:00",""
"4106691","13.1015","0.0005","13.4592","0.0005","28.5044","0.001","90","","90","","90","","5026.3","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H53 N O3 P2 Ru -","- C62 H53 N O3 P2 Ru -","- C248 H212 N4 O12 P8 Ru4 -","4","1","","Johanna M. Blacquiere; Carolyn S. Higman; Robert McDonald; Deryn E. Fogg","A Reactive Ru-Binaphtholate Building Block with Self-Tuning Hapticity","Journal of the American Chemical Society","2011","133","","14054","14062","10.1021/ja204767a","","","0.71073","MoKα","","0.0593","0.038","","","0.0728","0.0812","","","","","","1.023","","","","has coordinates,has disorder","178812","2020-10-21","18:00:00",""
"4106723","7.0616","0.0006","10.2832","0.0008","29.237","0.002","90","","90","","90","","2123.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 B N O5 -","- C22 H28 B N O5 -","- C88 H112 B4 N4 O20 -","4","1","","Junqi Li; Martin D. Burke","Pinene-Derived Iminodiacetic Acid (PIDA): A Powerful Ligand for Stereoselective Synthesis and Iterative Cross-Coupling of C(sp3) Boronate Building Blocks","Journal of the American Chemical Society","2011","133","","13774","13777","10.1021/ja205912y","","","0.71073","MoKα","","0.0532","0.0369","","","0.0826","0.0889","","","","","","1.027","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106727","5.8888","0.0001","8.9545","0.0001","28.5863","0.0004","90","","90","","90","","1507.39","0.04","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O3 -","- C17 H14 Br N O3 -","- C68 H56 Br4 N4 O12 -","4","1","","Aurélien Bigot; Alice E. Williamson; Matthew J. Gaunt","Enantioselective α-Arylation of N-Acyloxazolidinones with Copper(II)-bisoxazoline Catalysts and Diaryliodonium Salts","Journal of the American Chemical Society","2011","133","","13778","13781","10.1021/ja206047h","","","0.71073","MoKα","","0.0371","0.029","","","0.068","0.07","","","","","","0.967","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106731","18.941","0.004","36.035","0.007","38.593","0.008","90","","90","","90","","26341","9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C122 H152 N8 O6 S -","- C122 H87 N8 O6 S -","- C976 H696 N64 O48 S8 -","8","2","","Jae-min Suk; Veluru Ramesh Naidu; Xinfang Liu; Myoung Soo Lah; Kyu-Sung Jeong","A Foldamer-Based Chiroptical Molecular Switch That Displays Complete Inversion of the Helical Sense upon Anion Binding","Journal of the American Chemical Society","2011","133","","13938","13941","10.1021/ja206546b","","","0.77","synchrotron","","0.0965","0.0797","","","0.2141","0.2283","","","","","","1.02","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4106732","18.534","0.004","27.265","0.006","27.405","0.006","90","","90","","90","","13849","5","96","2","96","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C148 H198 N8 O6 S -","- C148 H135 N8 O6 S -","- C592 H540 N32 O24 S4 -","4","1","","Jae-min Suk; Veluru Ramesh Naidu; Xinfang Liu; Myoung Soo Lah; Kyu-Sung Jeong","A Foldamer-Based Chiroptical Molecular Switch That Displays Complete Inversion of the Helical Sense upon Anion Binding","Journal of the American Chemical Society","2011","133","","13938","13941","10.1021/ja206546b","","","0.85","synchrotron","","0.1209","0.1061","","","0.2637","0.2792","","","","","","1.148","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4106733","10.987","0.002","29.8","0.006","36.063","0.007","90","","90","","90","","11807","4","96","2","96","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C135 H168 N8 O6 S -","- C135 H156 N8 O6 S -","- C540 H624 N32 O24 S4 -","4","1","","Jae-min Suk; Veluru Ramesh Naidu; Xinfang Liu; Myoung Soo Lah; Kyu-Sung Jeong","A Foldamer-Based Chiroptical Molecular Switch That Displays Complete Inversion of the Helical Sense upon Anion Binding","Journal of the American Chemical Society","2011","133","","13938","13941","10.1021/ja206546b","","","0.8","synchrotron","","0.0552","0.0501","","","0.1372","0.1419","","","","","","1.081","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4106748","7.3578","0.0001","10.6646","0.0002","29.1647","0.0005","90","","90","","90","","2288.5","0.07","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O4 S -","- C25 H34 O4 S -","- C100 H136 O16 S4 -","4","1","","Jian-Ping Chen; Qian Peng; Bai-Lin Lei; Xue-Long Hou; Yun-Dong Wu","Chemo- and Regioselectivity-Tunable Pd-Catalyzed Allylic Alkylation of Imines","Journal of the American Chemical Society","2011","133","","14180","14183","10.1021/ja2039503","","","1.54178","CuKα","","0.0473","0.0452","","","0.1133","0.1156","","","","","","1.096","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106769","9.3124","0.0002","21.001","0.0005","68.1246","0.0015","90","","90","","90","","13323.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H41 N O6 Si -","- C24 H41 N O6 Si -","- C480 H820 N20 O120 Si20 -","20","5","","Ian B. Seiple; Shun Su; Ian S. Young; Akifumi Nakamura; Junichiro Yamaguchi; Lars Jørgensen; Rodrigo A. Rodriguez; Daniel P. O'Malley; Tanja Gaich; Matthias Köck; Phil S. Baran","Enantioselective Total Syntheses of (-)-Palau'amine, (-)-Axinellamines, and (-)-Massadines","Journal of the American Chemical Society","2011","133","","14710","14726","10.1021/ja2047232","","","1.54178","CuKα","","0.0579","0.0515","","","0.13","0.1345","","","","","","1.034","","","","has coordinates","178813","2020-10-21","18:00:00",""
"4106790","7.2085","0.0001","7.8988","0.0001","13.8528","0.0002","90","","90","","90","","788.758","0.019","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C40 H40 O8 -","4","1","","Noah Z. Burns; Michael R. Witten; Eric N. Jacobsen","Dual Catalysis in Enantioselective Oxidopyrylium-Based [5 + 2] Cycloadditions","Journal of the American Chemical Society","2011","133","","14578","14581","10.1021/ja206997e","","","1.54178","CuKα","","0.0287","0.0285","","","0.0728","0.0731","","","","","","1.145","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4106829","6.9963","0.0005","10.6835","0.0007","16.5458","0.001","90","","90","","90","","1236.72","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N3 O6 S -","- C11 H15 N3 O6 S -","- C44 H60 N12 O24 S4 -","4","1","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54178","CuKα","","0.0307","0.0295","","","0.0784","0.0798","","","","","","1.048","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106830","4.698","0.0002","11.4175","0.0004","22.0983","0.0008","90","","90","","90","","1185.34","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C44 H52 N12 O16 S4 -","4","1","","Dongwon Shin; Renatus W. Sinkeldam; Yitzhak Tor","Emissive RNA Alphabet","Journal of the American Chemical Society","2011","133","","14912","14915","10.1021/ja206095a","","","1.54178","CuKα","","0.0313","0.0289","","","0.0731","0.0751","","","","","","1.036","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106831","6.9547","0.0003","14.3426","0.0006","16.3824","0.0007","90","","90","","90","","1634.12","0.12","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 I N O -","- C19 H18 I N O -","- C76 H72 I4 N4 O4 -","4","1","","Stephen G. Newman; Jennifer K. Howell; Norman Nicolaus; Mark Lautens","Palladium-Catalyzed Carbohalogenation: Bromide to Iodide Exchange and Domino Processes","Journal of the American Chemical Society","2011","133","","14916","14919","10.1021/ja206099t","","","0.71073","MoKα","","0.0698","0.0466","","","0.1029","0.1174","","","","","","1.059","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106839","15.6585","0.0007","29.8504","0.0013","35.6816","0.0017","90","","90","","90","","16678","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46.5 H43 Br2 Cl N2 O7 -","- C46.5 H43 Br2 Cl N2 O7 -","- C744 H688 Br32 Cl16 N32 O112 -","16","4","","Yankai Liu; Manuel Nappi; Elena Arceo; Silvia Vera; Paolo Melchiorre","Asymmetric Catalysis of Diels-Alder Reactions with in Situ Generated Heterocyclic ortho-Quinodimethanes","Journal of the American Chemical Society","2011","133","","15212","15218","10.1021/ja206517s","","","0.71073","MoKα","","0.1181","0.0839","","","0.1939","0.2113","","","","","","1.06","","","","has coordinates","288243","2023-12-12","09:57:14",""
"4106841","8.7244","0.0017","13.188","0.003","15.006","0.003","90","","90","","90","","1726.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Hang Shi; Lichao Fang; Ceheng Tan; Lili Shi; Weibin Zhang; Chuang-chuang Li; Tuoping Luo; Zhen Yang","Total Syntheses of Drimane-Type Sesquiterpenoids Enabled by a Gold-Catalyzed Tandem Reaction","Journal of the American Chemical Society","2011","133","","14944","14947","10.1021/ja206837j","","","0.71073","MoKα","","0.1046","0.0362","","","0.0556","0.0651","","","","","","0.507","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106861","7.4496","0.0002","7.5774","0.0002","25.0094","0.0005","90","","90","","90","","1411.75","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Joseph R. Stringer; J. Aaron Crapster; Ilia A. Guzei; Helen E. Blackwell","Extraordinarily Robust Polyproline Type I Peptoid Helices Generated via the Incorporation of α-Chiral Aromatic N-1-Naphthylethyl Side Chains","Journal of the American Chemical Society","2011","133","","15559","15567","10.1021/ja204755p","","","1.54178","CuKα","","0.0267","0.0263","","","0.0718","0.0722","","","","","","0.984","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106866","12.0461","0.001","14.2879","0.0015","33.757","0.003","90","","90","","90","","5810","0.9","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O4 S -","- C33 H37 N O4 S -","- C264 H296 N8 O32 S8 -","8","2","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0902","0.0547","","","0.114","0.1414","","","","","","1.008","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106868","8.727","0.0004","12.2836","0.0005","31.8909","0.0015","90","","90","","90","","3418.7","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H41 N O4 S -","- C39 H41 N O4 S -","- C156 H164 N4 O16 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0453","0.0399","","","0.0948","0.098","","","","","","1.037","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106871","8.2758","0.0007","14.3175","0.0013","19.5838","0.0018","90","","90","","90","","2320.5","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O2 S -","- C26 H33 N O2 S -","- C104 H132 N4 O8 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.032","0.0288","","","0.0783","0.0867","","","","","","1.168","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106873","9.1954","0.0003","11.0169","0.0004","31.9995","0.0014","90","","90","","90","","3241.7","0.2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 N O4 S -","- C38 H39 N O4 S -","- C152 H156 N4 O16 S4 -","4","1","","Weidong Rao; Dewi Susanti; Philip Wai Hong Chan","Gold-Catalyzed Tandem 1,3-Migration/[2 + 2] Cycloaddition of 1,7-Enyne Benzoates to Azabicyclo[4.2.0]oct-5-enes","Journal of the American Chemical Society","2011","133","","15248","15251","10.1021/ja2052304","","","0.71073","MoKα","","0.0866","0.0589","","","0.1215","0.1375","","","","","","1.033","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106874","5.2114","0.001","18.831","0.004","19.186","0.004","90","","90","","90","","1882.8","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Wei Li; Xiaohua Liu; Xiaoyu Hao; Xiaolei Hu; Yangyang Chu; Weidi Cao; Song Qin; Changwei Hu; Lili Lin; Xiaoming Feng","New Electrophilic Addition of α-Diazoesters with Ketones for Enantioselective C-N Bond Formation","Journal of the American Chemical Society","2011","133","","15268","15271","10.1021/ja2056159","","","1.54178","CuKα","","0.0338","0.031","","","0.0723","0.077","","","","","","1.086","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106877","6.0206","0.0001","15.7711","0.0004","21.0506","0.0004","90","","90","","90","","1998.79","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C88 H72 N8 O32 -","8","2","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0407","0.0379","","","0.0914","0.0931","","","","","","1.084","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106878","5.8667","0.0002","8.8242","0.0002","21.4253","0.0005","90","","90","","90","","1109.16","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0336","0.0328","","","0.0886","0.0892","","","","","","1.026","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106880","5.7269","0.0003","8.3487","0.0005","35.6555","0.0017","90","","90","","90","","1704.77","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Xue Xu; Hongjian Lu; Joshua V. Ruppel; Xin Cui; Silke Lopez de Mesa; Lukasz Wojtas; X. Peter Zhang","Highly Asymmetric Intramolecular Cyclopropanation of Acceptor-Substituted Diazoacetates by Co(II)-Based Metalloradical Catalysis: Iterative Approach for Development of New-Generation Catalysts","Journal of the American Chemical Society","2011","133","","15292","15295","10.1021/ja2062506","","","1.54178","CuKα","","0.0525","0.0453","","","0.1052","0.1086","","","","","","1.089","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106882","6.1559","0.0008","8.6293","0.0011","27.248","0.003","90","","90","","90","","1447.4","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O S -","- C17 H18 O S -","- C68 H72 O4 S4 -","4","1","","Scott E. Denmark; David J. P. Kornfilt; Thomas Vogler","Catalytic Asymmetric Thiofunctionalization of Unactivated Alkenes","Journal of the American Chemical Society","2011","133","","15308","15311","10.1021/ja2064395","","","0.71073","MoKα","","0.0255","0.0248","","","0.0652","0.0656","","","","","","1.022","","","","has coordinates","178814","2020-10-21","18:00:00",""
"4106928","5.886","0.003","10.628","0.005","29.381","0.012","90","","90","","90","","1838","1.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O5 S -","- C16 H24 N2 O5 S -","- C64 H96 N8 O20 S4 -","4","1","","Li-Tao Shen; Li-Hui Sun; Song Ye","Highly Enantioselective γ-Amination of α,β-Unsaturated Acyl Chlorides with Azodicarboxylates: Efficient Synthesis of Chiral γ-Amino Acid Derivatives","Journal of the American Chemical Society","2011","133","","15894","15897","10.1021/ja206819y","","","0.71073","MoKα","","0.049","0.0457","","","0.1001","0.1027","","","","","","1.099","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106940","11.2664","0.0007","16.9596","0.0011","22.4797","0.0015","90","","90","","90","","4295.3","0.5","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 K O6 Si3 Y -","- C36 H63 K O6 Si3 Y -","- C144 H252 K4 O24 Si12 Y4 -","4","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Synthesis of a Crystalline Molecular Complex of Y2+, [(18-crown-6)K][(C5H4SiMe3)3Y]","Journal of the American Chemical Society","2011","133","","15914","15917","10.1021/ja207151y","","","0.71073","MoKα","","0.0342","0.0275","","","0.0572","0.0592","","","","","","1.013","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4106957","10.6695","0.0004","14.5788","0.0006","17.5974","0.0006","90","","90","","90","","2737.25","0.18","173","2","173","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H37 B18 Co N P S -","- C14 H37 B18 Co N P S -","- C56 H148 B72 Co4 N4 P4 S4 -","4","1","","Pau Farràs; Francesc Teixidor; Isabel Rojo; Raikko Kivekäs; Reijo Sillanpää; Patricia González-Cardoso; Clara Viñas","Relaxed but Highly Compact Diansa Metallacyclophanes","Journal of the American Chemical Society","2011","133","","16537","16552","10.1021/ja205850p","","x-ray","0.71073","MoKα","","0.0747","0.0542","","","0.1035","0.1111","","","","","","1.024","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106974","11.9561","0.0005","12.5574","0.0005","23.2405","0.001","90","","90","","90","","3489.3","0.3","88","2","88","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H45 Br O5 Si -","- C28 H45 Br O5 Si -","- C112 H180 Br4 O20 Si4 -","4","1","","Martin J. Schnermann; Larry E. Overman","Enantioselective Total Synthesis of Aplyviolene","Journal of the American Chemical Society","2011","133","","16425","16427","10.1021/ja208018s","","","0.71073","MoKα","","0.0558","0.0481","","","0.1417","0.1466","","","","","","1.075","","","","has coordinates","178815","2020-10-21","18:00:00",""
"4106975","11.5868","0.0011","16.3974","0.0016","21.272","0.002","90","","90","","90","","4041.5","0.7","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H36 Cl F3 Ni P2 -","- C51.001 H36 Cl F3.003 Ni P2 -","- C204.004 H144 Cl4 F12.012 Ni4 P8 -","4","1","","Shaozhong Ge; John F. Hartwig","Nickel-Catalyzed Asymmetric α-Arylation and Heteroarylation of Ketones with Chloroarenes: Effect of Halide on Selectivity, Oxidation State, and Room-Temperature Reactions","Journal of the American Chemical Society","2011","133","","16330","16333","10.1021/ja2082087","","","0.71073","MoKα","","0.0385","0.0313","","","0.0723","0.0754","","","","","","1.04","","","","has coordinates,has disorder","178815","2020-10-21","18:00:00",""
"4106980","8.9064","0.00016","9.63387","0.00018","22.8974","0.0004","90","","90","","90","","1964.67","0.06","93.1","","93","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F O Si -","- C25 H23 F O Si -","- C100 H92 F4 O4 Si4 -","4","1","","Ryo Shintani; Kohei Moriya; Tamio Hayashi","Palladium-Catalyzed Enantioselective Desymmetrization of Silacyclobutanes: Construction of Silacycles Possessing a Tetraorganosilicon Stereocenter","Journal of the American Chemical Society","2011","133","","16440","16443","10.1021/ja208621x","","","1.54187","CuKα","","","0.0435","","","","0.0625","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107016","6.8746","0.0002","12.4881","0.0004","30.4034","0.0009","90","","90","","90","","2610.15","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C120 H136 N8 O8 -","8","2","","Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru","Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding","Journal of the American Chemical Society","2011","133","","17106","17109","10.1021/ja203087a","","","1.54178","CuKα","","0.0264","0.0261","","","0.0692","0.0695","","","","","","1.054","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107027","10.977","0.003","17.802","0.004","38.101","0.009","90","","90","","90","","7445","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H27 B Br Cl N6 O -","- C48 H27 B Br Cl N6 O -","- C384 H216 B8 Br8 Cl8 N48 O8 -","8","2","","Soji Shimizu; Akito Miura; Samson Khene; Tebello Nyokong; Nagao Kobayashi","Chiral 1,2-Subnaphthalocyanines","Journal of the American Chemical Society","2011","133","","17322","17328","10.1021/ja2052667","","","0.71073","MoKα","","0.2162","0.0845","","","0.2067","0.2761","","","","","","0.988","","","","has coordinates,has disorder","178816","2020-10-21","18:00:00",""
"4107064","7.2884","0.0002","7.6804","0.0003","29.2456","0.001","90","","90","","90","","1637.11","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Xu Tian; Carlo Cassani; Yankai Liu; Antonio Moran; Atsushi Urakawa; Patrizia Galzerano; Elena Arceo; Paolo Melchiorre","Diastereodivergent Asymmetric Sulfa-Michael Additions of α-Branched Enones using a Single Chiral Organic Catalyst","Journal of the American Chemical Society","2011","133","","17934","17941","10.1021/ja207847p","","","0.71073","MoKα","","0.0422","0.0366","","","0.095","0.1025","","","","","","1.141","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107071","15.023","0.003","17.813","0.003","30.48","0.005","90","","90","","90","","8157","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","10129","PPN[CupyN2ipr2OH]","","- C91 H83 Cu N4 O9 P2 -","- C79 H91 Cu N4 O6 P2 -","- C316 H364 Cu4 N16 O24 P8 -","4","1","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.0928","0.0542","","","0.1146","0.1255","","","","","","0.956","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107072","15.0982","0.0016","17.8967","0.0019","30.531","0.003","90","","90","","90","","8249.7","1.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","10173s","PPN[CupyN2ipr2Cl]","","- C87 H75 Cl Cu N4 O7 P2 -","- C79 H91 Cl Cu N4 O5 P2 -","- C316 H364 Cl4 Cu4 N16 O20 P8 -","4","1","","Patrick J. Donoghue; Jacqui Tehranchi; Christopher J. Cramer; Ritimukta Sarangi; Edward I. Solomon; William B. Tolman","Rapid C-H Bond Activation by a Monocopper(III)-Hydroxide Complex","Journal of the American Chemical Society","2011","133","","17602","17605","10.1021/ja207882h","","","0.71073","MoKα","","0.0812","0.0483","","","0.1094","0.1215","","","","","","0.966","","","","has coordinates","178816","2020-10-21","18:00:00",""
"4107141","13.443","0.003","18.101","0.004","28.587","0.006","90","","90","","90","","6956","3","113.1","","113.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61 H86 Ag Ge3 I P6 Pd4 -","- C61 H86 Ag Ge3 I P6 Pd4 -","- C244 H344 Ag4 Ge12 I4 P24 Pd16 -","4","1","","Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase","Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core","Journal of the American Chemical Society","2011","133","","18598","18601","10.1021/ja208565q","","","0.7107","MoKα","","0.0743","0.0636","","","0.1344","0.1406","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107159","9.3325","0.0009","13.9742","0.0014","30.898","0.003","90","","90","","90","","4029.5","0.7","","","","","","","","","","","heptane,propanole","4","P 21 21 21","P 2ac 2ab","19","","Title","","- C25 H22 I N -","- C25 H22 I N -","- C200 H176 I8 N8 -","8","2","","Steffen Müller; Matthew J. Webber; Benjamin List","The Catalytic Asymmetric Fischer Indolization","Journal of the American Chemical Society","2011","133","","18534","18537","10.1021/ja2092163","","","","","","","","","","","","","","","","","","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107163","18.169","0.0005","21.4934","0.0006","24.074","0.0006","90","","90","","90","","9401.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94.7 H80.75 Br4 O11.3 Rh2 -","- C94.7 H80.75 Br4 O11.3 Rh2 -","- C378.8 H323 Br16 O45.2 Rh8 -","4","1","","Changming Qin; Vyacheslav Boyarskikh; Jørn H. Hansen; Kenneth I. Hardcastle; Djamaladdin G. Musaev; Huw M. L. Davies","D2-Symmetric Dirhodium Catalyst Derived from a 1,2,2-Triarylcyclopropanecarboxylate Ligand: Design, Synthesis and Application","Journal of the American Chemical Society","2011","133","","19198","19204","10.1021/ja2074104","","","1.54178","CuKα","","0.0461","0.0446","","","0.1319","0.1338","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107173","4.7093","0.0004","9.813","0.0008","30.237","0.003","90","","90","","90","","1397.3","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 S -","- C14 H17 N O3 S -","- C56 H68 N4 O12 S4 -","4","1","","Will R. Gutekunst; Phil S. Baran","Total Synthesis and Structural Revision of the Piperarborenines via Sequential Cyclobutane C-H Arylation","Journal of the American Chemical Society","2011","133","","19076","19079","10.1021/ja209205x","","","0.71073","MoKα","","0.0354","0.0332","","","0.0881","0.0913","","","","","","0.966","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107191","6.79","0.002","14.525","0.005","26.401","0.01","90","","90","","90","","2603.8","1.5","110","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O7 -","- C27 H35 N O7 -","- C108 H140 N4 O28 -","4","1","","Ke Kong; Ziad Moussa; Changsuk Lee; Daniel Romo","Total Synthesis of the Spirocyclic Imine Marine Toxin (-)-Gymnodimine and an Unnatural C4-Epimer","Journal of the American Chemical Society","2011","133","","19844","19856","10.1021/ja207385y","","","0.71073","MoKα","","0.0786","0.0489","","","0.1071","0.122","","","","","","1.04","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107194","9.0591","0.0004","17.7788","0.0009","24.8997","0.0014","90","","90","","90","","4010.3","0.4","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","7","","","- C40 H63 N2 O2 Si Y -","- C40 H63 N2 O2 Si Y -","- C160 H252 N8 O8 Si4 Y4 -","4","1","","Hiroshi Kaneko; Haruki Nagae; Hayato Tsurugi; Kazushi Mashima","End-Functionalized Polymerization of 2-Vinylpyridine through Initial C-H Bond Activation of N-Heteroaromatics and Internal Alkynes by Yttrium Ene-Diamido Complexes","Journal of the American Chemical Society","2011","133","","19626","19629","10.1021/ja208293h","","","0.71075","MoKα","","0.0721","0.051","","","0.0993","0.1207","","","","","","1.04","","","","has coordinates","178817","2020-10-21","18:00:00",""
"4107205","4.6161","0.0004","10.4035","0.0008","19.2977","0.0013","90","","90","","90","","926.74","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aR,9aS)-4-hydroxy-4,4a,9,9a-tetrahydroindeno[2,1-b][1,4]oxazin-3(2H)-one","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","","Michael Binanzer; Sheng-Ying Hsieh; Jeffrey W. Bode","Catalytic Kinetic Resolution of Cyclic Secondary Amines","Journal of the American Chemical Society","2011","133","","19698","19701","10.1021/ja209472h","","","1.54178","CuKα","","0.0699","0.0436","","","0.1064","0.1239","","","","","","0.794","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107220","5.8129","0.0006","21.954","0.002","40.108","0.004","90","","90","","90","","5118.4","0.9","93","0.1","93","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl F3 O7 -","- C25 H28 Cl F3 O7 -","- C200 H224 Cl8 F24 O56 -","8","2","","Kohsuke Aikawa; Yūta Hioki; Natsumi Shimizu; Koichi Mikami","Catalytic Asymmetric Synthesis of Stable Oxetenes via Lewis Acid-Promoted [2 + 2] Cycloaddition","Journal of the American Chemical Society","2011","133","","20092","20095","10.1021/ja2085299","","","0.71073","","","0.077","0.0491","","","0.0908","0.1009","","","","","","0.995","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107225","7.9043","0.0001","8.2106","0.0001","17.9939","0.0001","90","","90","","90","","1167.79","0.02","105","2","105","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","YbCp3","","- C15 H15 Yb -","- C15 H15 Yb -","- C60 H60 Yb4 -","4","1","","Robert G. Denning; Jeffrey Harmer; Jennifer C. Green; Mark Irwin","Covalency in the 4f Shell oftris-Cyclopentadienyl Ytterbium (YbCp3)-A Spectroscopic Evaluation","Journal of the American Chemical Society","2011","133","","20644","20660","10.1021/ja209311g","","","0.71073","MoKα","","0.02","0.0194","","","0.0444","0.0447","","","","","","1.204","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107233","12.8296","0.0003","14.3749","0.0004","15.8508","0.0004","90","","90","","90","","2923.27","0.13","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H37 Cl F3 Fe O3 P4 S -","- C21 H37 Cl F3 Fe O3 P4 S -","- C84 H148 Cl4 F12 Fe4 O12 P16 S4 -","4","1","","Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores","Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks","Journal of the American Chemical Society","2011","133","","20823","20836","10.1021/ja206735y","","","0.71073","MoKα","","0.0281","0.024","","","0.054","0.0554","","","","","","1.008","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107268","6.965","0.003","11.584","0.004","26.372","0.01","90","","90","","90","","2127.8","1.4","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O7 -","- C21 H26 N2 O7 -","- C84 H104 N8 O28 -","4","1","","Hun Young Kim; Jian-Yuan Li; Sungkyung Kim; Kyungsoo Oh","Stereodivergency in Catalytic Asymmetric Conjugate Addition Reactions of Glycine (Ket)imines","Journal of the American Chemical Society","2011","133","","20750","20753","10.1021/ja2100356","","","0.71073","MoKα","","0.0448","0.0322","","0.0778","0.0746","0.0778","","","","","","1","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107286","4.0985","0.001","6.5533","0.0016","26.857","0.007","90","","90","","90","","721.3","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H2 Br2 N2 O -","- C6 H2 Br2 N2 O -","- C24 H8 Br8 N8 O4 -","4","1","","Nicolas Blouin; Alexandre Michaud; David Gendron; Salem Wakim; Emily Blair; Rodica Neagu-Plesu; Michel Belletête; Gilles Durocher; Ye Tao; Mario Leclerc","Toward a Rational Design of Poly(2,7-Carbazole) Derivatives for Solar Cells","Journal of the American Chemical Society","2008","130","","732","742","10.1021/ja0771989","","","0.71073","MoKα","","0.0275","0.0234","","","0.0563","0.0572","","","","","","1.311","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107292","7.6822","0.0002","8.574","0.0003","19.742","0.0007","90","","90","","90","","1300.35","0.07","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Ngoc T. Vo; Robert D. M. Pace; Fionn O'Har; Matthew J. Gaunt","An Enantioselective Organocatalytic Oxidative Dearomatization Strategy","Journal of the American Chemical Society","2008","130","","404","405","10.1021/ja077457u","","","0.71073","MoKα","","0.0582","0.0437","","","0.098","0.1042","","","","","","1.056","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107293","8.37","0.0001","8.8878","0.0001","27.3366","0.0005","90","","90","","90","","2033.59","0.05","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O4 S -","- C22 H22 N2 O4 S -","- C88 H88 N8 O16 S4 -","4","1","","Ngoc T. Vo; Robert D. M. Pace; Fionn O'Har; Matthew J. Gaunt","An Enantioselective Organocatalytic Oxidative Dearomatization Strategy","Journal of the American Chemical Society","2008","130","","404","405","10.1021/ja077457u","","","0.71073","MoKα","","0.0482","0.0361","","","0.0773","0.0827","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107298","10.549","0.002","11.907","0.003","36.842","0.008","90","","90","","90","","4627.6","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C208 H200 N8 O32 S8 -","8","2","","Ming He; Jeffrey W. Bode","Enantioselective, NHC-Catalyzed Bicyclo-β-Lactam Formation via Direct Annulations of Enals and Unsaturated N-Sulfonyl Ketimines","Journal of the American Chemical Society","2008","130","","418","419","10.1021/ja0778592","","","0.71073","MoKα","","0.1073","0.048","","","0.0921","0.1043","","","","","","0.856","","","","has coordinates","178818","2020-10-21","18:00:00",""
"4107304","8.3828","0.0011","14.6251","0.0017","23.336","0.004","90","","90","","90","","2861","0.7","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O3 S2 Si -","- C27 H40 O3 S2 Si -","- C108 H160 O12 S8 Si4 -","4","1","","Amos B. Smith; Matthew O. Duffey; Kallol Basu; Shawn P. Walsh; Hans W. Suennemann; Michael Frohn","Total Syntheses of the Assigned Structures of Lituarines B and C","Journal of the American Chemical Society","2008","130","","422","423","10.1021/ja078293k","","","0.71069","MoKα","","0.0383","0.028","","","0.0484","0.0516","","","","","","0.8","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107323","15.19","0.003","16.496","0.003","43.489","0.007","90","","90","","90","","10897","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H119.5 Cl2 N12.5 O34 Zn -","- C73 H95.5 Cl2 N12.5 O34 Zn -","- C292 H382 Cl8 N50 O136 Zn4 -","4","1","","Hiroyuki Miyake; Hiroshi Kamon; Ikuko Miyahara; Hideki Sugimoto; Hiroshi Tsukube","Time-Programmed Peptide Helix Inversion of a Synthetic Metal Complex Triggered by an Achiral NO3- Anion","Journal of the American Chemical Society","2008","130","","792","793","10.1021/ja0768385","","","0.7107","MoKα","","0.192","0.1634","","","0.3946","0.4169","","","","","","1.159","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107328","12.5244","0.0006","18.3649","0.0008","32.6093","0.0015","90","","90","","90","","7500.4","0.6","90","2","90","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","[RNiCO][BF4]2 + 4DCM","","","- C65 H96 B2 Cl8 F8 N4 Ni O P4 -","- C65 H96 B2 Cl8 F8 N4 Ni O P4 -","- C260 H384 B8 Cl32 F32 N16 Ni4 O4 P16 -","4","1","","Aaron D. Wilson; Kendra Fraze; Brendan Twamley; Susie M. Miller; Daniel L. DuBois; M. Rakowski DuBois","The Role of the Second Coordination Sphere of [Ni(PCy2NBz2)2](BF4)2 in Reversible Carbon Monoxide Binding","Journal of the American Chemical Society","2008","130","","1061","1068","10.1021/ja077328d","","","0.71073","MoKα","","0.0502","0.0445","","","0.1155","0.1191","","","","","","1.062","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107329","12.5357","0.0007","17.9197","0.0009","33.6355","0.0018","90","","90","","90","","7555.7","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C73 H112 B2 F8 N6 Ni O P4 -","- C73 H112 B2 F8 N6 Ni O P4 -","- C292 H448 B8 F32 N24 Ni4 O4 P16 -","4","1","","Aaron D. Wilson; Kendra Fraze; Brendan Twamley; Susie M. Miller; Daniel L. DuBois; M. Rakowski DuBois","The Role of the Second Coordination Sphere of [Ni(PCy2NBz2)2](BF4)2 in Reversible Carbon Monoxide Binding","Journal of the American Chemical Society","2008","130","","1061","1068","10.1021/ja077328d","","","0.71073","MoKα","","0.1058","0.06","","","0.1258","0.1447","","","","","","0.994","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107356","9.228","0.002","11.56","0.003","14.204","0.004","90","","90","","90","","1515.2","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Masami Sakamoto; Mamoru Kato; Yoko Aida; Kazuyuki Fujita; Takashi Mino; Tsutomu Fujita","Photosensitized 2 + 2 Cycloaddition Reaction Using Homochirality Generated by Spontaneous Crystallization","Journal of the American Chemical Society","2008","130","","1132","1133","10.1021/ja077912m","","","1.54178","CuKα","","0.0462","0.0445","","","0.1157","0.1181","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107375","12.0407","0.0014","16.986","0.002","18.706","0.002","90","","90","","90","","3825.8","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 B2 N6 O Tm -","- C34 H64 B2 N6 O Tm -","- C136 H256 B8 N24 O4 Tm4 -","4","1","","Jianhua Cheng; Josef Takats; Michael J. Ferguson; Robert McDonald","Heteroleptic Tm(II) Complexes: One More Success for Trofimenko's Scorpionates","Journal of the American Chemical Society","2008","130","","1544","1545","10.1021/ja0776273","","","0.71073","MoKα","","0.0453","0.0351","","","0.0812","0.0878","","","","","","1.057","","","","has coordinates,has disorder","178819","2020-10-21","18:00:00",""
"4107399","8.36","0.0014","12.466","0.005","30.729","0.012","90","","90","","90","","3202.4","1.9","299","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H30 N2 O3 Pd -","- C34 H30 N2 O3 Pd -","- C136 H120 N8 O12 Pd4 -","4","1","","Raivis Zalubovskis; Alexis Bouet; Ester Fjellander; Samuel Constant; David Linder; Andreas Fischer; Jérôme Lacour; Timofei Privalov; Christina Moberg","Self-Adaptable Catalysts: Substrate-Dependent Ligand Configuration","Journal of the American Chemical Society","2008","130","","1845","1855","10.1021/ja074044k","","","0.71073","MoKα","","0.1761","0.1225","","","0.2677","0.2966","","","","","","1.18","","","","has coordinates","178819","2020-10-21","18:00:00",""
"4107433","9.7492","0.0003","11.2812","0.0004","20.1232","0.0006","90","","90","","90","","2213.2","0.12","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Cl2 N O Ru S -","- C22 H25 Cl2 N O Ru S -","- C88 H100 Cl8 N4 O4 Ru4 S4 -","4","1","","Georgios C. Vougioukalakis; Robert H. Grubbs","Synthesis and Activity of Ruthenium Olefin Metathesis Catalysts Coordinated with Thiazol-2-ylidene Ligands","Journal of the American Chemical Society","2008","130","","2234","2245","10.1021/ja075849v","","","0.71073","MoKα","","0.0668","0.0426","","","0.0669","0.0707","","","","","","1.079","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4107444","10.6012","0.0001","14.8549","0.0002","10.5616","0.0001","90","","90","","90","","1663.24","0.03","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 N O4 -","- C14 H27 N O4 -","- C56 H108 N4 O16 -","4","1","","Pixu Li; Cory D. Evans; Yongzhong Wu; Bin Cao; Ernest Hamel; Madeleine M. Joullié","Evolution of the Total Syntheses of Ustiloxin Natural Products and Their Analogues","Journal of the American Chemical Society","2008","130","","2351","2364","10.1021/ja710363p","","","0.71069","MoKα","","0.0776","0.0704","","0.2051","0.1977","","","","1.117","1.152","1.152","","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107446","8.9919","0.0002","11.0151","0.0003","20.8011","0.0006","90","","90","","90","","2060.28","0.09","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O6 -","- C19 H28 N2 O6 -","- C76 H112 N8 O24 -","4","1","","Zhihua Chen; Hiroyuki Morimoto; Shigeki Matsunaga; Masakatsu Shibasaki","A Bench-Stable Homodinuclear Ni2-Schiff Base Complex for Catalytic Asymmetric Synthesis of α-Tetrasubstituted anti-α,β-Diamino Acid Surrogates","Journal of the American Chemical Society","2008","130","","2170","2171","10.1021/ja710398q","","","0.71075","MoKα","","","0.0243","","","","0.0635","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107448","9.8585","0.001","11.2388","0.0011","23.172","0.002","90","","90","","90","","2567.4","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 B Co F4 Si -","- C26 H36 B Co F4 Si -","- C104 H144 B4 Co4 F16 Si4 -","4","1","","Ross D. Witherell; Kai E. O. Ylijoki; Jeffrey M. Stryker","Cobalt-Mediated η5-Pentadienyl/Alkyne [5 + 2] Cycloaddition. Synthesis and Characterization of Unbridged η2,η3-Coordinated Cycloheptadienyl Complexes","Journal of the American Chemical Society","2008","130","","2176","2177","10.1021/ja710568d","","","0.71073","MoKα","","0.0322","0.0313","","","0.0876","0.0884","","","","","","1.055","","","","has coordinates,has disorder","178820","2020-10-21","18:00:00",""
"4107462","9.6263","0.0002","10.0188","0.0002","21.2036","0.0004","90","","90","","90","","2044.96","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","hydroxylamine methyl ester","","","- C23 H22 Br N O3 -","- C23 H22 Br N O3 -","- C92 H88 Br4 N4 O12 -","4","1","","Eric M. Phillips; Troy E. Reynolds; Karl A. Scheidt","Highly Diastereo- and Enantioselective Additions of Homoenolates to Nitrones Catalyzed by N-Heterocyclic Carbenes","Journal of the American Chemical Society","2008","130","","2416","2417","10.1021/ja710521m","","","0.71073","MoKα","","0.0367","0.0283","","","0.06","0.0614","","","","","","0.975","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107478","10.448","0.0003","12.816","0.0004","32.848","0.0011","90","","90","","90","","4398.4","0.2","130","2","130","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","bmc-f-43-1","bmc-f-43-1","","- C45 H55 B F4 N2 O P2 Pd -","- C45 H55 B F4 N2 O P2 Pd -","- C180 H220 B4 F16 N8 O4 P8 Pd4 -","4","1","","Brian M. Cochran; Forrest E. Michael","Mechanistic Studies of a Palladium-Catalyzed Intramolecular Hydroamination of Unactivated Alkenes: Protonolysis of a Stable Palladium Alkyl Complex Is the Turnover-Limiting Step","Journal of the American Chemical Society","2008","130","","2786","2792","10.1021/ja0734997","","","0.71073","MoKα","","0.2049","0.0693","","","0.1164","0.1501","","","","","","0.996","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107494","8.2677","0.0004","11.2246","0.0006","30.5196","0.0017","90","","90","","90","","2832.3","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 O5 -","- C31 H48 O5 -","- C124 H192 O20 -","4","1","","Suwei Dong; Jianglong Zhu; John A. Porco","Enantioselective Synthesis of Bicyclo[2.2.2]octenones Using a Copper-Mediated Oxidative Dearomatization/[4 + 2] Dimerization Cascade1","Journal of the American Chemical Society","2008","130","","2738","2739","10.1021/ja711018z","","","0.71073","MoKα","","0.0515","0.0417","","","0.1001","0.1057","","","","","","1.043","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107497","12.671","0.0004","17.396","0.0003","21.867","0.0007","90","","90","","90","","4820","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Si3Se-bicyclo[1.1.0]butane","","- C36 H84 Se Si7 -","- C36 H84 Se Si7 -","- C144 H336 Se4 Si28 -","4","1","","Vladimir Ya. Lee; Shogo Miyazaki; Hiroyuki Yasuda; Akira Sekiguchi","Isomeric Metamorphosis: Si3E (E = S, Se, and Te) Bicyclo[1.1.0]butane and Cyclobutene","Journal of the American Chemical Society","2008","130","","2758","2759","10.1021/ja800111r","","","0.7107","MoKα","","0.063","0.0533","","","0.1436","0.15","","","","","","1.046","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107498","12.687","0.0003","17.482","0.0004","21.893","0.0006","90","","90","","90","","4855.7","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Si3Te-bicyclo[1.1.0]butane","","- C36 H84 Si7 Te -","- C36 H84 Si7 Te -","- C144 H336 Si28 Te4 -","4","1","","Vladimir Ya. Lee; Shogo Miyazaki; Hiroyuki Yasuda; Akira Sekiguchi","Isomeric Metamorphosis: Si3E (E = S, Se, and Te) Bicyclo[1.1.0]butane and Cyclobutene","Journal of the American Chemical Society","2008","130","","2758","2759","10.1021/ja800111r","","","0.7107","MoKα","","0.0375","0.0332","","","0.0871","0.0893","","","","","","1.013","","","","has coordinates","178820","2020-10-21","18:00:00",""
"4107535","5.9037","0.0006","12.2672","0.0002","17.4319","0.001","90","","90","","90","","1262.45","0.15","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl O3 -","- C15 H11 Cl O3 -","- C60 H44 Cl4 O12 -","4","1","","Zengming Shen; Hasan A. Khan; Vy M. Dong","Rh-Catalyzed Carbonyl Hydroacylation: An Enantioselective Approach to Lactones","Journal of the American Chemical Society","2008","130","","2916","2917","10.1021/ja7109025","","","0.71073","MoKα","","0.062","0.04","","","0.0904","0.1021","","","","","","1.045","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107556","6.4508","0.0013","14.332","0.003","38.051","0.008","90","","90","","90","","3517.9","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br N2 O -","- C21 H21 Br N2 O -","- C168 H168 Br8 N16 O8 -","8","2","","Robert T. Yu; Tomislav Rovis","Asymmetric Synthesis of Bicyclic Amidines via Rhodium-Catalyzed [2+2+2] Cycloaddition of Carbodiimides","Journal of the American Chemical Society","2008","130","","3262","3263","10.1021/ja710065h","","","0.71073","MoKα","","0","0.0705","","","0.1039","0.1405","","","","","","0.923","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107565","8.7093","0.0003","13.8379","0.0005","15.7822","0.0006","90","","90","","90","","1902.05","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O W -","- C21 H29 N O W -","- C84 H116 N4 O4 W4 -","4","1","","Jenkins Y. K. Tsang; Miriam S. A. Buschhaus; Peter M. Graham; Christopher J. Semiao; Scott P. Semproni; Simon J. Kim; Peter Legzdins","Facile and Selective Aliphatic C-H Bond Activation at Ambient Temperatures Initiated by Cp*W(NO)(CH2CMe3)(η3-CH2CHCHMe)","Journal of the American Chemical Society","2008","130","","3652","3663","10.1021/ja710606v","","","0.71073","MoKα","","0.0364","0.0273","","","0.0553","0.0581","","","","","","1.087","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107583","11.042","0.002","12.246","0.002","13.931","0.003","90","","90","","90","","1883.8","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Br N O5 -","- C20 H20 Br N O5 -","- C80 H80 Br4 N4 O20 -","4","1","","Stephen K. Jackson; Avedis Karadeolian; Alex B. Driega; Michael A. Kerr","Stereodivergent Methodology for the Synthesis of Complex Pyrrolidines","Journal of the American Chemical Society","2008","130","","4196","4201","10.1021/ja710289k","","","0.71073","MoKα","","0.0426","0.0337","","","0.0739","0.0784","","","","","","1.047","","","","has coordinates","178821","2020-10-21","18:00:00",""
"4107597","10.874","0.0005","15.4908","0.0008","34.2768","0.0017","90","","90","","90","","5773.8","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tip3Ph2-Chlorocyclotrisilan","[S]-1-Chlor-1,2,2-tris(2',4',6'-triisopropylphenyl)-3,3-diphenylcyclotrisilan","","- C61 H87 Cl O Si3 -","- C61 H87 Cl O Si3 -","- C244 H348 Cl4 O4 Si12 -","4","1","","Kai Abersfelder; David Scheschkewitz","Syntheses of Trisila Analogues of Allyl Chlorides and Their Transformations to Chlorocyclotrisilanes, Cyclotrisilanides, and a Trisilaindane","Journal of the American Chemical Society","2008","130","","4114","4121","10.1021/ja711169w","","","0.71073","MoKα","","0.0684","0.0671","","","0.1542","0.1548","","","","","","1.307","","","","has coordinates,has disorder","178821","2020-10-21","18:00:00",""
"4107614","9.817","0.004","12.992","0.005","14.271","0.005","90","","90","","90","","1820.2","1.2","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Br2 P Rh -","- C17 H22 Br2 P Rh -","- C68 H88 Br8 P4 Rh4 -","4","1","","Marius V. Câmpian; Eric Clot; Odile Eisenstein; Ulrike Helmstedt; Naseralla Jasim; Robin N. Perutz; Adrian C. Whitwood; David Williamson","Stereochemical Nonrigidity of a Chiral Rhodium Boryl Hydride Complex: A σ-Borane Complex as Transition State for Isomerization","Journal of the American Chemical Society","2008","130","","4375","4385","10.1021/ja077357o","","","0.71073","MoKα","","0.0243","0.0225","","","0.0511","0.0515","","","","","","1.011","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107620","7.249","0.003","8.065","0.003","25.055","0.01","90","","90","","90","","1464.8","1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TF09-126","(R)-ethyl 1-[1-(4-bromophenyl)vinyl]-2-oxocyclopentanecarboxylate","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Taisuke Fujimoto; Kohei Endo; Hayato Tsuji; Masaharu Nakamura; Eiichi Nakamura","Construction of a Chiral Quaternary Carbon Center by Indium-Catalyzed Asymmetric α-Alkenylation of β-Ketoesters","Journal of the American Chemical Society","2008","130","","4492","4496","10.1021/ja710408f","","","0.7107","MoKα","","0.0233","0.0211","","","0.0467","0.0472","","","","","","1.009","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107629","9.1089","0.0013","13.2614","0.0018","19.958","0.003","90","","90","","90","","2410.9","0.6","100","1","100","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 N O2 -","- C34.002 H25.005 N O2 -","- C136.008 H100.02 N4 O8 -","4","1","","Dirk Pijper; Mahthild G. M. Jongejan; Auke Meetsma; Ben L. Feringa","Light-Controlled Supramolecular Helicity of a Liquid Crystalline Phase Using a Helical Polymer Functionalized with a Single Chiroptical Molecular Switch","Journal of the American Chemical Society","2008","130","","4541","4552","10.1021/ja711283c","","","0.71073","MoKα","","0.0586","0.0461","","","0.0954","0.0997","","","","","","1.068","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107644","7.2405","0.0003","16.4816","0.0007","19.2279","0.0007","90","","90","","90","","2294.56","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O8 S2 -","- C19 H19 F3 N2 O8 S2 -","- C76 H76 F12 N8 O32 S8 -","4","1","","Robert Weiss; Matthias Bess; Stefan M. Huber; Frank W. Heinemann","Nucleophilic β-Oniovinylation: Concept, Mechanism, Scope, and Applications","Journal of the American Chemical Society","2008","130","","4610","4617","10.1021/ja071316a","","","0.71073","MoKα","","0.0754","0.044","","","0.0981","0.11","","","","","","0.992","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107657","8.721","0.004","10.414","0.004","13.992","0.005","90","","90","","90","","1270.8","0.9","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N3 O6 -","- C12 H17 N3 O6 -","- C48 H68 N12 O24 -","4","1","","S. M. Abdur Rahman; Sayori Seki; Satoshi Obika; Haruhisa Yoshikawa; Kazuyuki Miyashita; Takeshi Imanishi","Design, Synthesis, and Properties of 2',4'-BNANC: A Bridged Nucleic Acid Analogue","Journal of the American Chemical Society","2008","130","","4886","4896","10.1021/ja710342q","","","0.71075","MoKα","","","0.0291","","","","0.0699","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107682","7.6379","0.0017","11.269","0.003","15.319","0.003","90","","90","","90","","1318.5","0.5","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","Shifa Zhu; Joshua V. Ruppel; Hongjian Lu; Lukasz Wojtas; X. Peter Zhang","Cobalt-Catalyzed Asymmetric Cyclopropanation with Diazosulfones: Rigidification and Polarization of Ligand Chiral Environment via Hydrogen Bonding and Cyclization","Journal of the American Chemical Society","2008","130","","5042","5043","10.1021/ja7106838","","","0.71073","MoKα","","0.0296","0.0286","","","0.0755","0.0765","","","","","","1.037","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107688","6.6794","0.0003","9.7679","0.0005","20.0851","0.0009","90","","90","","90","","1310.43","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","","Aaron R. Thornton; Simon B. Blakey","Catalytic Metallonitrene/Alkyne Metathesis: A Powerful Cascade Process for the Synthesis of Nitrogen-Containing Molecules","Journal of the American Chemical Society","2008","130","","5020","5021","10.1021/ja7111788","","","1.54178","CuKα","","0.0217","0.0217","","","0.0573","0.0573","","","","","","1.079","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107695","8.8454","0.0002","11.7317","0.0002","28.2835","0.0008","90","","90","","90","","2935.02","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 N O3 -","- C40 H29 N O3 -","- C160 H116 N4 O12 -","4","1","","Andrei V. Malkov; Pedro Ramírez-López; Lada Biedermannová; Lubomír Rulíšek; Lenka Dufková; Martin Kotora; Fujiang Zhu; Pavel Kočovský","On the Mechanism of Asymmetric Allylation of Aldehydes with Allyltrichlorosilanes Catalyzed by QUINOX, a Chiral IsoquinolineN-Oxide","Journal of the American Chemical Society","2008","130","","5341","5348","10.1021/ja711338q","","","1.54184","CuKα","","0.0399","0.0279","","","0.0541","0.0566","","","","","","0.822","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107698","8.327","0.0009","13.7521","0.0015","14.4796","0.0016","90","","90","","90","","1658.1","0.3","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O3 -","- C20 H22 N2 O3 -","- C80 H88 N8 O12 -","4","1","","Amy B. Dounay; Philip G. Humphreys; Larry E. Overman; Aaron D. Wrobleski","Total Synthesis of the Strychnos Alkaloid (+)-Minfiensine: Tandem Enantioselective Intramolecular Heck-Iminium Ion Cyclization","Journal of the American Chemical Society","2008","130","","5368","5377","10.1021/ja800163v","","","0.71073","MoKα","","0.0354","0.0314","","","0.0774","0.0809","","","","","","1.053","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107699","7.0806","0.0007","12.8663","0.0013","18.7817","0.0019","90","","90","","90","","1711","0.3","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","Amy B. Dounay; Philip G. Humphreys; Larry E. Overman; Aaron D. Wrobleski","Total Synthesis of the Strychnos Alkaloid (+)-Minfiensine: Tandem Enantioselective Intramolecular Heck-Iminium Ion Cyclization","Journal of the American Chemical Society","2008","130","","5368","5377","10.1021/ja800163v","","","0.71073","MoKα","","0.0336","0.0313","","","0.0815","0.0839","","","","","","1.075","","","","has coordinates","178822","2020-10-21","18:00:00",""
"4107712","6.464","0.003","8.621","0.004","29.556","0.011","90","","90","","90","","1647","1.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br N O3 -","- C17 H18 Br N O3 -","- C68 H72 Br4 N4 O12 -","4","1","","Peng Fu; Marc L. Snapper; Amir H. Hoveyda","Catalytic Asymmetric Alkylations of Ketoimines. Enantioselective Synthesis of N-Substituted Quaternary Carbon Stereogenic Centers by Zr-Catalyzed Additions of Dialkylzinc Reagents to Aryl-, Alkyl-, and Trifluoroalkyl-Substituted Ketoimines","Journal of the American Chemical Society","2008","130","","5530","5541","10.1021/ja8001343","","","0.71073","MoKα","","0.0338","0.0293","","","0.0685","0.0699","","","","","","0.995","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107721","6.33947","0.00012","11.379","0.00012","23.8625","0.0007","90","","90","","90","","1721.37","0.06","153.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","","Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki","Asymmetric Catalysis via Dynamic Substrate/Ligand/Rare Earth Metal Conglomerate","Journal of the American Chemical Society","2008","130","","5630","5631","10.1021/ja800326d","","","1.54187","CuKα","","","0.0314","","","","0.0718","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107722","7.49574","0.00016","10.9673","0.0002","21.8976","0.0005","90","","90","","90","","1800.16","0.07","153.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Akihiro Nojiri; Naoya Kumagai; Masakatsu Shibasaki","Asymmetric Catalysis via Dynamic Substrate/Ligand/Rare Earth Metal Conglomerate","Journal of the American Chemical Society","2008","130","","5630","5631","10.1021/ja800326d","","","1.54187","CuKα","","","0.0328","","","","0.0848","","","","","","1.199","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107731","11.4513","0.0005","12.4207","0.0008","15.2454","0.0006","90","","90","","90","","2168.4","0.19","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","none","","","- C20 H24 Br N O8 -","- C20 H24 Br N O8 -","- C80 H96 Br4 N4 O32 -","4","1","","Xiao-Hua Chen; Wen-Quan Zhang; Liu-Zhu Gong","Asymmetric Organocatalytic Three-Component 1,3-Dipolar Cycloaddition: Control of Stereochemistry via a Chiral Brønsted Acid Activated Dipole","Journal of the American Chemical Society","2008","130","","5652","5653","10.1021/ja801034e","","","0.71073","MoKα","","0.0837","0.0422","","","0.0956","0.1081","","","","","","0.982","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107734","11.4968","0.0001","24.969","0.0002","27.7281","0.0002","90","","90","","90","","7959.73","0.11","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Cl6 F3 N4 O6 Re S -","- C32 H30 Cl6 F3 N4 O6 Re S -","- C256 H240 Cl48 F24 N32 O48 Re8 S8 -","8","2","","Miguel A. Huertos; Julio Pérez; Lucía Riera","Pyridine Ring Opening at Room Temperature at a Rhenium Tricarbonyl Bipyridine Complex","Journal of the American Chemical Society","2008","130","","5662","5663","10.1021/ja801655d","","","1.54184","CuKα","","0.0585","0.0548","","","0.1418","0.1507","","","","","","1.056","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107750","11.7576","0.0007","12.0196","0.0007","24.3109","0.0016","90","","90","","90","","3435.7","0.4","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C152 H168 N8 O24 -","8","2","","Mathieu Branca; Didier Gori; Régis Guillot; Valérie Alezra; Cyrille Kouklovsky","Tertiary Aromatic Amide for Memory of Chirality: Access to Enantioenriched α-Substituted Valine","Journal of the American Chemical Society","2008","130","","5864","5865","10.1021/ja801165z","","x-ray","0.71073","MoKα","","0.0592","0.0445","","","0.1007","0.1083","","","","","","1.07","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107752","9.6521","0.0007","11.1645","0.0008","27.4646","0.0018","90","","90","","90","","2959.6","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl N2 O6 -","- C28 H37 Cl N2 O6 -","- C112 H148 Cl4 N8 O24 -","4","1","","Anand Singh; Jeffrey N. Johnston","A Diastereo- and Enantioselective Synthesis of α-Substituted syn-α,β-Diamino Acids","Journal of the American Chemical Society","2008","130","","5866","5867","10.1021/ja8011808","","","0.71073","MoKα","","0.0625","0.04","","","0.0864","0.0965","","","","","","1.02","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4107762","6.4945","0.0009","14.4","0.002","16.979","0.002","90","","90","","90","","1587.9","0.4","126","","126","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O3 -","- C19 H21 O3 -","- C76 H84 O12 -","4","1","","Barry M. Trost; Jia Xie","Palladium-Catalyzed Diastereo- and Enantioselective Wagner-Meerwein Shift: Control of Absolute Stereochemistry in the C-C Bond Migration Event","Journal of the American Chemical Society","2008","130","","6231","6242","10.1021/ja7111299","","","0.71073","MoKα","","0.0425","0.0327","","","0.0749","0.0785","","","","","","0.962","","","","has coordinates","178823","2020-10-21","18:00:00",""
"4107774","14.764","0.002","21.904","0.003","39.736","0.006","90","","90","","90","","12850","3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","holyy24","","","- C68 H105 Fe2 N5 -","- C68 H105 Fe2 N5 -","- C544 H840 Fe16 N40 -","8","2","","Ying Yu; Azwana R. Sadique; Jeremy M. Smith; Thomas R. Dugan; Ryan E. Cowley; William W. Brennessel; Christine J. Flaschenriem; Eckhard Bill; Thomas R. Cundari; Patrick L. Holland","The Reactivity Patterns of Low-Coordinate Iron-Hydride Complexes","Journal of the American Chemical Society","2008","130","","6624","6638","10.1021/ja710669w","","","0.71073","MoKα","","0.0941","0.0533","","","0.0927","0.1048","","","","","","1.034","","","","has coordinates,has disorder","178823","2020-10-21","18:00:00",""
"4107798","10.5904","0.0011","19.448","0.002","27.721","0.003","90","","90","","90","","5709.5","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H76 N8 O11 -","- C50 H76 N8 O11 -","- C200 H304 N32 O44 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0623","0.0547","","","0.137","0.1409","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107799","10.3529","0.0004","19.6361","0.0008","26.4378","0.0011","90","","90","","90","","5374.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H78 Cl2 N8 O11 -","- C51 H78 Cl2 N8 O11 -","- C204 H312 Cl8 N32 O44 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.0508","0.046","","","0.1256","0.1312","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4107801","11.003","0.002","15.078","0.003","47.015","0.01","90","","90","","90","","7800","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63.27 H95.27 Cl9.82 N10 O13 -","- C63.233 H95.233 Cl9.699 N10 O13 -","- C252.932 H380.932 Cl38.796 N40 O52 -","4","1","","Soo Hyuk Choi; Ilia A. Guzei; Lara C. Spencer; Samuel H. Gellman","Crystallographic Characterization of Helical Secondary Structures in α/β-Peptides with 1:1 Residue Alternation","Journal of the American Chemical Society","2008","130","","6544","6550","10.1021/ja800355p","","","0.71073","Mo-Kα","","0.1116","0.0914","","","0.2007","0.2093","","","","","","1.178","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4107837","7.6433","0.0007","11.0235","0.001","29.784","0.003","90","","90","","90","","2509.5","0.4","","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","parc0107b","","","- C30 H22 Cl N O9 -","- C30 H22 Cl N O9 -","- C120 H88 Cl4 N4 O36 -","4","1","","Craig A. Parish; Scott K. Smith; Kathleen Calati; Deborah Zink; Kenneth Wilson; Terry Roemer; Bo Jiang; Deming Xu; Gerald Bills; Gonzalo Platas; Fernando Peláez; Maria Teresa Díez; Nancy Tsou; Arlene E. McKeown; Richard G. Ball; Mary Ann Powles; Lai Yeung; Paul Liberator; Guy Harris","Isolation and Structure Elucidation of Parnafungins, Antifungal Natural Products that Inhibit mRNA Polyadenylation","Journal of the American Chemical Society","2008","130","","7060","7066","10.1021/ja711209p","","","","MoKα","","","0.0424","","","","0.0942","","","","","","1.029","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107869","19.416","0.002","25.18","0.003","29.907","0.003","90","","90","","90","","14621","3","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70.5 H74 Eu Li3 N8.5 O6.5 -","- C70.5 H74 Eu Li3 N8.5 O6.5 -","- C564 H592 Eu8 Li24 N68 O52 -","8","2","","Alfred J. Wooten; Patrick J. Carroll; Patrick J. Walsh","Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln Complexes and Implications in Catalysis","Journal of the American Chemical Society","2008","130","","7407","7419","10.1021/ja7107933","","","0.71069","MoKα","","0.0647","0.0582","","","0.1743","0.1801","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4107877","11.0258","0.0005","14.7287","0.0006","17.6215","0.0007","90","","90","","90","","2861.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H51 Br O3 Si -","- C25 H51 Br O3 Si -","- C100 H204 Br4 O12 Si4 -","4","1","","Hao Li; Teck-Peng Loh","Control of up to Five Stereocenters in a Cascade Reaction: Synthesis of Highly Functionalized Five-Membered Rings","Journal of the American Chemical Society","2008","130","","7194","7195","10.1021/ja801488z","","","0.71073","MoKα","","0.0603","0.0368","","","0.0743","0.0826","","","","","","1.031","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107885","7.3942","0.0003","9.8421","0.0004","27.3297","0.0014","90","","90","","90","","1988.9","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","LCC-diol","","","- C22 H31 N O6 -","- C22 H31 N O6 -","- C88 H124 N4 O24 -","4","1","","Ryan A. Shenvi; Carlos A. Guerrero; Jun Shi; Chuang-Chuang Li; Phil S. Baran","Synthesis of (+)-Cortistatin A","Journal of the American Chemical Society","2008","130","","7241","7243","10.1021/ja8023466","","","1.54178","CuKα","","0.0391","0.0318","","","0.07","0.0733","","","","","","1.031","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4107894","9.3648","0.001","10.0518","0.0011","18.751","0.002","90","","90","","90","","1765.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Liang Lu; Wei Zhang; Rich G. Carter","Total Synthesis of Cytotoxic Macrolide Amphidinolide B1and the Proposed Structure of Amphidinolide B2","Journal of the American Chemical Society","2008","130","","7253","7255","10.1021/ja803012n","","","0.71073","MoKα","","0.0618","0.0436","","","0.0799","0.0876","","","","","","1.06","","","","has coordinates","178824","2020-10-21","18:00:00",""
"4107903","10.818","0.001","13.2984","0.0012","16.557","0.0015","90","","90","","90","","2381.9","0.4","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 N3 -","- C33 H25 N3 -","- C132 H100 N12 -","4","1","","Dennis H. Leung; Joseph W. Ziller; Zhibin Guan","Axial Donating Ligands: A New Strategy for Late Transition Metal Olefin Polymerization Catalysis","Journal of the American Chemical Society","2008","130","","7538","7539","10.1021/ja8017847","","","0.71073","MoKα","","0.0677","0.039","","","0.0736","0.086","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107906","6.7443","0.0019","11.952","0.004","15.773","0.005","90","","90","","90","","1271.4","0.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O4 -","- C14 H19 N O4 -","- C56 H76 N4 O16 -","4","1","","Peng Liu; Sungwoo Hong; Steven M. Weinreb","Total Synthesis of the Securinega Alkaloid (-)-Secu'amamine A","Journal of the American Chemical Society","2008","130","","7562","7563","10.1021/ja802700z","","","0.71073","MoKα","","0.0417","0.0399","","","0.0987","0.1008","","","","","","0.757","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107912","10.4434","0.0007","11.6473","0.0006","15.558","0.0009","90","","90","","90","","1892.43","0.19","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N2 O6 -","- C15 H28 N2 O6 -","- C60 H112 N8 O24 -","4","1","","Enrique Gomez-Bengoa; Anthony Linden; Rosa López; Idoia Múgica-Mendiola; Mikel Oiarbide; Claudio Palomo","Asymmetric Aza-Henry Reaction Under Phase Transfer Catalysis: An Experimental and Theoretical Study","Journal of the American Chemical Society","2008","130","","7955","7966","10.1021/ja800253z","","","0.71073","MoKα","","0.071","0.0564","","","0.1425","0.1533","","","","","","1.056","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4107925","6.6746","0.0005","20.6662","0.0016","22.0533","0.0018","90","","90","","90","","3042","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H30 Br N O3 -","- C37 H30 Br N O3 -","- C148 H120 Br4 N4 O12 -","4","1","","Wenhao Hu; Xinfang Xu; Jing Zhou; Wei-Jun Liu; Haoxi Huang; Juan Hu; Liping Yang; Liu-Zhu Gong","Cooperative Catalysis with Chiral Brønsted Acid-Rh2(OAc)4: Highly Enantioselective Three-Component Reactions of Diazo Compounds with Alcohols and Imines","Journal of the American Chemical Society","2008","130","","7782","7783","10.1021/ja801755z","","","0.71073","MoKα","","0.0799","0.0532","","","0.0962","0.1048","","","","","","0.954","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107941","6.3408","0.0019","8.5671","0.0008","19.352","0.003","90","","90","","90","","1051.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Mannosylchloroacetamide","N-(Beta-D-mannopyranosyl)chloroacetamide","","- C8 H14 Cl N O6 -","- C8 H14 Cl N O6 -","- C32 H56 Cl4 N4 O24 -","4","1","","Mohamed Mohamed Naseer Ali; Udayanath Aich; Babu Varghese; Anne Imberty","Conformational Preferences of the Aglycon Moiety in Models and Analogs of GlcNAc-Asn Linkage: Crystal Structures and ab Initio Quantum Chemical Calculations of N-(β-d-Glycopyranosyl)haloacetamides","Journal of the American Chemical Society","2008","130","","8317","8325","10.1021/ja800335m","","","0.71073","MoKα","","0.0458","0.0398","","","0.1002","0.1078","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4107956","8.8769","0.0003","12.8191","0.0004","29.5359","0.0009","90","","90","","90","","3361","0.19","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CB2.5CF3COOH","CB2.5CF3COOH","","- C20 H17 F15 N8 O14 -","- C20.002 H17 F15.003 N8 O14.002 -","- C80.008 H68 F60.012 N32 O56.008 -","4","1","","Wei-Hao Huang; Peter Y. Zavalij; Lyle Isaacs","Cucurbit[n]uril Formation Proceeds by Step-Growth Cyclo-oligomerization","Journal of the American Chemical Society","2008","130","","8446","8454","10.1021/ja8013693","","","0.71073","MoKα","","0.0458","0.0384","","","0.078","0.0816","","","","","","1","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4107960","9.9594","0.0007","12.2807","0.0008","31.266","0.002","90","","90","","90","","3824.1","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 Cl4 O3 Sn -","- C37 H56 Cl4 O3 Sn -","- C148 H224 Cl16 O12 Sn4 -","4","1","","Vivek Rauniyar; Huimin Zhai; Dennis G. Hall","Catalytic Enantioselective Allyl- and Crotylboration of Aldehydes Using Chiral Diol.SnCl4 Complexes. Optimization, Substrate Scope and Mechanistic Investigations","Journal of the American Chemical Society","2008","130","","8481","8490","10.1021/ja8016076","","","0.71073","MoKα","","0.035","0.0316","","","0.081","0.0827","","","","","","1.092","","","","has coordinates,has disorder","178825","2020-10-21","18:00:00",""
"4107961","10.2147","0.0009","13.9642","0.0012","15.8484","0.0014","90","","90","","90","","2260.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Chao Wang; Jon A. Tunge","Asymmetric Cycloadditions of Palladium-Polarized Aza-o-xylylenes","Journal of the American Chemical Society","2008","130","","8118","8119","10.1021/ja801742h","","","0.71073","MoKα","","0.0602","0.0528","","","0.1078","0.1109","","","","","","1.043","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4107973","4.229","0.0008","14.112","0.003","23.312","0.005","90","","90","","90","","1391.3","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F3 I2 N -","- C13 H6 F3 I2 N -","- C52 H24 F12 I8 N4 -","4","1","","Tanya Shirman; Dalia Freeman; Yael Diskin Posner; Isai Feldman; Antonio Facchetti; Milko E. van der Boom","Assembly of Crystalline Halogen-Bonded Materials by Physical Vapor Deposition","Journal of the American Chemical Society","2008","130","","8162","8163","10.1021/ja8029784","","","0.71073","MoKα","","0.0382","0.0294","","","0.0588","0.0613","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107989","9.968","0.0002","14.2904","0.0003","16.9202","0.0003","90","","90","","90","","2410.23","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 N O2 P -","- C29 H30 N O2 P -","- C116 H120 N4 O8 P4 -","4","1","","Haifeng Du; Baoguo Zhao; Yian Shi","Catalytic Asymmetric Allylic and Homoallylic Diamination of Terminal Olefins via Formal C-H Activation","Journal of the American Chemical Society","2008","130","","8590","8591","10.1021/ja8027394","","","0.71073","MoKα","","0.047","0.0389","","","0.0957","0.1047","","","","","","0.65","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107990","9.6965","0.0003","15.3134","0.0004","17.21","0.0005","90","","90","","90","","2555.45","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N O2 P -","- C29 H38 N O2 P -","- C116 H152 N4 O8 P4 -","4","1","","Haifeng Du; Baoguo Zhao; Yian Shi","Catalytic Asymmetric Allylic and Homoallylic Diamination of Terminal Olefins via Formal C-H Activation","Journal of the American Chemical Society","2008","130","","8590","8591","10.1021/ja8027394","","","0.71073","MoKα","","0.0627","0.044","","","0.1203","0.1407","","","","","","0.702","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4107991","7.4727","0.0003","12.8011","0.0005","17.0678","0.0006","90","","90","","90","","1632.68","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N2 O2 -","- C15 H28 N2 O2 -","- C60 H112 N8 O8 -","4","1","","Haifeng Du; Baoguo Zhao; Yian Shi","Catalytic Asymmetric Allylic and Homoallylic Diamination of Terminal Olefins via Formal C-H Activation","Journal of the American Chemical Society","2008","130","","8590","8591","10.1021/ja8027394","","","0.71073","MoKα","","0.0728","0.0517","","","0.1293","0.1432","","","","","","1.058","","","","has coordinates","178825","2020-10-21","18:00:00",""
"4108017","6.1711","0.0007","6.6959","0.0008","24.683","0.003","90","","90","","90","","1019.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F2 N2 O4 -","- C9 H10 F2 N2 O4 -","- C36 H40 F8 N8 O16 -","4","1","","Joseph J. Barchi; Rajeshri G. Karki; Marc C. Nicklaus; Maqbool A. Siddiqui; Clifford George; Igor A. Mikhailopulo; Victor E. Marquez","Comprehensive Structural Studies of 2',3'-Difluorinated Nucleosides: Comparison of Theory, Solution, and Solid State","Journal of the American Chemical Society","2008","130","","9048","9057","10.1021/ja800964g","","","0.71073","MoKα","","0.0402","0.0352","","","0.0906","0.0933","","","","","","1.022","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108087","10.988","0.0001","11.519","0.0001","39.162","0.0005","90","","90","","90","","4956.76","0.09","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H48 Cu F6 N2 O P3 -","- C52 H48 Cu F6 N2 O P3 -","- C208 H192 Cu4 F24 N8 O4 P12 -","4","1","","Sonia Nieto; Vincent M. Lynch; Eric V. Anslyn; Hyunwoo Kim; Jik Chin","High-Throughput Screening of Identity, Enantiomeric Excess, and Concentration Using MLCT Transitions in CD Spectroscopy","Journal of the American Chemical Society","2008","130","","9232","9233","10.1021/ja803443j","","","0.71073","MoKα","","0.1121","0.0618","","","0.1483","0.1703","","","","","","1.137","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108088","5.6086","0.0005","13.9556","0.0012","21.634","0.0019","90","","90","","90","","1693.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O10 Se -","- C13 H20 O10 Se -","- C52 H80 O40 Se4 -","4","1","","Mohannad Abdo; Spencer Knapp","Biomimetic Seleninates and Selenonates","Journal of the American Chemical Society","2008","130","","9234","9235","10.1021/ja8034448","","","0.71073","MoKα","","0.0404","0.0371","","","0.09","0.0913","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108091","11.2466","0.0008","11.9082","0.0009","14.2975","0.001","90","","90","","90","","1914.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N3 O4 S -","- C19 H25 N3 O4 S -","- C76 H100 N12 O16 S4 -","4","1","","Hua Yang; Rich G. Carter; Lev N. Zakharov","Enantioselective Total Synthesis of Lycopodine","Journal of the American Chemical Society","2008","130","","9238","9239","10.1021/ja803613w","","","0.71073","MoKα","","0.0424","0.0356","","","0.0816","0.0861","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108092","9.3648","0.001","10.0518","0.0011","18.751","0.002","90","","90","","90","","1765.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Hua Yang; Rich G. Carter; Lev N. Zakharov","Enantioselective Total Synthesis of Lycopodine","Journal of the American Chemical Society","2008","130","","9238","9239","10.1021/ja803613w","","","0.71073","MoKα","","0.0618","0.0436","","","0.0799","0.0876","","","","","","1.06","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108095","10.0957","0.0006","14.0633","0.0008","19.3858","0.0011","90","","90","","90","","2752.4","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Cl2 N O1.5 P Pd -","- C25 H27 Cl2 N O1.5 P Pd -","- C100 H108 Cl8 N4 O6 P4 Pd4 -","4","1","","Wen-Qiong Wu; Qian Peng; Da-Xuan Dong; Xue-Long Hou; Yun-Dong Wu","A Dramatic Switch of Enantioselectivity in Asymmetric Heck Reaction by Benzylic Substituents of Ligands","Journal of the American Chemical Society","2008","130","","9717","9725","10.1021/ja7104174","","","0.71073","MoKα","","0.0556","0.0449","","","0.1156","0.1197","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108096","10.2217","0.001","15.7882","0.0015","16.2334","0.0015","90","","90","","90","","2619.8","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl2 N O P Pd -","- C27 H30 Cl2 N O P Pd -","- C108 H120 Cl8 N4 O4 P4 Pd4 -","4","1","","Wen-Qiong Wu; Qian Peng; Da-Xuan Dong; Xue-Long Hou; Yun-Dong Wu","A Dramatic Switch of Enantioselectivity in Asymmetric Heck Reaction by Benzylic Substituents of Ligands","Journal of the American Chemical Society","2008","130","","9717","9725","10.1021/ja7104174","","","0.71073","MoKα","","0.0867","0.0488","","","0.0635","0.0713","","","","","","0.794","","","","has coordinates","178826","2020-10-21","18:00:00",""
"4108122","9.7288","0.0004","13.1736","0.0005","15.5623","0.0006","90","","90","","90","","1994.52","0.14","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O -","- C24 H29 N O -","- C96 H116 N4 O4 -","4","1","","Yu-Jun Zhao; Teck-Peng Loh","Bioinspired Polyene Cyclization Promoted by Intermolecular Chiral Acetal-SnCl4 or Chiral N-Acetal-TiCl4: Investigation of the Mechanism and Identification of the Key Intermediates","Journal of the American Chemical Society","2008","130","","10024","10029","10.1021/ja802896n","","","0.71073","MoKα","","0.0548","0.0484","","","0.1187","0.1262","","","","","","1.076","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108124","9.6179","0.0004","10.9147","0.0004","18.6004","0.0006","90","","90","","90","","1952.6","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","","Yu-Jun Zhao; Teck-Peng Loh","Bioinspired Polyene Cyclization Promoted by Intermolecular Chiral Acetal-SnCl4 or Chiral N-Acetal-TiCl4: Investigation of the Mechanism and Identification of the Key Intermediates","Journal of the American Chemical Society","2008","130","","10024","10029","10.1021/ja802896n","","","0.71073","MoKα","","0.0437","0.0373","","","0.091","0.096","","","","","","1.034","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108125","7.8528","0.0004","8.0068","0.0004","24.7105","0.0013","90","","90","","90","","1553.69","0.14","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C68 H68 N4 O12 S4 -","4","1","","Yu-Jun Zhao; Teck-Peng Loh","Bioinspired Polyene Cyclization Promoted by Intermolecular Chiral Acetal-SnCl4 or Chiral N-Acetal-TiCl4: Investigation of the Mechanism and Identification of the Key Intermediates","Journal of the American Chemical Society","2008","130","","10024","10029","10.1021/ja802896n","","","0.71073","MoKα","","0.0669","0.0547","","","0.1433","0.1663","","","","","","1.091","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108127","9.3494","0.0002","9.6354","0.0002","13.2387","0.0003","90","","90","","90","","1192.61","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Donna K. Friel; Marc L. Snapper; Amir H. Hoveyda","Aluminum-Catalyzed Asymmetric Alkylations of Pyridyl-Substituted Alkynyl Ketones with Dialkylzinc Reagents","Journal of the American Chemical Society","2008","130","","9942","9951","10.1021/ja802935w","","","1.54178","CuKα","","0.0262","0.026","","","0.0663","0.0666","","","","","","1.085","","","","has coordinates","178827","2020-10-21","18:00:00",""
"4108186","9.9845","0.0009","20.7418","0.0015","25.4506","0.0019","90","","90","","90","","5270.7","0.7","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl O -","- C23 H17 Cl O -","- C276 H204 Cl12 O12 -","12","3","","Koji Fukamizu; Yoshihiro Miyake; Yoshiaki Nishibayashi","Ruthenium-Catalyzed Enantioselective Carbon-Carbon Bond Forming Reaction via Allenylidene-Ene Process: Synthetic Approach to Chiral Heterocycles Such As Chromane, Thiochromane, and 1,2,3,4-Tetrahydroquinoline Derivatives","Journal of the American Chemical Society","2008","130","","10498","10499","10.1021/ja8038745","","","0.71075","MoKα","","","0.0426","","","","0.2058","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108203","7.1676","0.0014","14.586","0.003","21.276","0.004","90","","90","","90","","2224.3","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 O9 -","- C23 H20 N2 O9 -","- C92 H80 N8 O36 -","4","1","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.0479","0.045","","","0.1039","0.1053","","","","","","1.173","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108205","9.6153","0.0019","11.973","0.002","23.881","0.005","90","","90","","90","","2749.3","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O5 -","- C31 H40 O5 -","- C124 H160 O20 -","4","1","","K. C. Nicolaou; T. Robert Wu; David Sarlah; David M. Shaw; Eric Rowcliffe; Dennis R. Burton","Total Synthesis, Revised Structure, and Biological Evaluation of Biyouyanagin A and Analogues Thereof","Journal of the American Chemical Society","2008","130","","11114","11121","10.1021/ja802805c","","","0.71073","MoKα","","0.1153","0.0726","","","0.1098","0.1203","","","","","","1.089","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108231","11.5345","0.0007","15.7328","0.001","17.2495","0.0012","90","","90","","90","","3130.3","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 B2 N2 P2 Pt V -","- C28 H50 B2 N2 P2 Pt V -","- C112 H200 B8 N8 P8 Pt4 V4 -","4","1","","Holger Braunschweig; Martin Kaupp; Christopher J. Adams; Thomas Kupfer; Krzysztof Radacki; Sandra Schinzel","Synthesis, Reactivity, and Electronic Structure of [n]Vanadoarenophanes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2008","130","","11376","11393","10.1021/ja802034p","","","0.71073","MoKα","","0.0311","0.0265","","","0.0593","0.0619","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108249","6.3621","0.0002","14.5128","0.0005","25.6079","0.0008","90","","90","","90","","2364.43","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br N O4 -","- C27 H24 Br N O4 -","- C108 H96 Br4 N4 O16 -","4","1","","Michael P. DeMartino; Ke Chen; Phil S. Baran","Intermolecular Enolate Heterocoupling: Scope, Mechanism, and Application","Journal of the American Chemical Society","2008","130","","11546","11560","10.1021/ja804159y","","","1.54178","CuKα","","0.0348","0.0319","","","0.0793","0.0813","","","","","","0.922","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108254","13.079","0.003","15.663","0.003","15.731","0.003","90","","90","","90","","3222.6","1.1","100","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Cl2 Fe N2 O4 -","- C34 H38 Cl2 Fe N2 O4 -","- C136 H152 Cl8 Fe4 N8 O16 -","4","1","","Vincent César; Noël Lugan; Guy Lavigne","A Stable Anionic N-Heterocyclic Carbene and Its Zwitterionic Complexes","Journal of the American Chemical Society","2008","130","","11286","11287","10.1021/ja804296t","","x-ray","0.71073","MoKα","","0.023","0.0222","","","0.0588","0.0594","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108255","9.9567","0.0003","15.2992","0.0005","16.3935","0.0005","90","","90","","90","","2497.21","0.13","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C120 H152 N8 O8 -","4","1","","Bradley L. Nilsson; Larry E. Overman; Javier Read de Alaniz; Jason M. Rohde","Enantioselective Total Syntheses of Nankakurines A and B: Confirmation of Structure and Establishment of Absolute Configuration","Journal of the American Chemical Society","2008","130","","11297","11299","10.1021/ja804624u","","","0.71073","MoKα","","0.0333","0.032","","","0.0851","0.0868","","","","","","1.054","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108294","9.5424","0.0007","11.2137","0.0008","21.7553","0.0016","90","","90","","90","","2327.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H39 Li N2 O Si -","- C23 H39 Li N2 O Si -","- C92 H156 Li4 N8 O4 Si4 -","4","1","","Holger Ott; Christian Däschlein; Dirk Leusser; Daniel Schildbach; Timo Seibel; Dietmar Stalke; Carsten Strohmann","Structure/Reactivity Studies on an α-Lithiated Benzylsilane: Chemical Interpretation of Experimental Charge Density","Journal of the American Chemical Society","2008","130","","11901","11911","10.1021/ja711104q","","","0.71073","MoKα","","0.029","0.02","","","","0.031","0.024","","","","","2.595","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108295","8.9491","0.0009","14.9054","0.0014","18.5409","0.0018","90","","90","","90","","2473.2","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H38 I N O Si Sn -","- C20 H38 I N O Si Sn -","- C80 H152 I4 N4 O4 Si4 Sn4 -","4","1","","Holger Ott; Christian Däschlein; Dirk Leusser; Daniel Schildbach; Timo Seibel; Dietmar Stalke; Carsten Strohmann","Structure/Reactivity Studies on an α-Lithiated Benzylsilane: Chemical Interpretation of Experimental Charge Density","Journal of the American Chemical Society","2008","130","","11901","11911","10.1021/ja711104q","","","0.71073","MoKα","","0.0329","0.0311","","","0.0638","0.0645","","","","","","1.138","","","","has coordinates","178828","2020-10-21","18:00:00",""
"4108311","12.194","0.002","17.001","0.003","31.552","0.006","90","","90","","90","","6541","2","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H85 N8 O13 S3 -","- C63 H85 N8 O13 S3 -","- C252 H340 N32 O52 S12 -","4","1","","Silvia Cabrera; Efraim Reyes; José Alemán; Andrea Milelli; Sara Kobbelgaard; Karl Anker Jørgensen","Organocatalytic Asymmetric Synthesis of α,α-Disubstituted α-Amino Acids and Derivatives","Journal of the American Chemical Society","2008","130","","12031","12037","10.1021/ja804567h","","x-ray","0.71073","MoKα","","0.117","0.0682","","","0.1463","0.1631","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108338","5.099","0.001","11.694","0.002","23.476","0.005","90","","90","","90","","1399.8","0.5","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-N-((2-chloroethoxy)(phenyl)methyl)benzamide","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C64 H64 Cl4 N4 O8 -","4","1","","Guilong Li; Frank R. Fronczek; Jon C. Antilla","Catalytic Asymmetric Addition of Alcohols to Imines: Enantioselective Preparation of Chiral N,O-Aminals","Journal of the American Chemical Society","2008","130","","12216","12217","10.1021/ja8033334","","","0.71073","MoKα","","0.086","0.051","","","0.078","0.089","","","","","","1.069","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108339","5.8653","0.0005","7.5844","0.0007","26.955","0.002","90","","90","","90","","1199.09","0.17","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(2-exo-norbornyl)-p-bromoaniline","","","- C13 H16 Br N -","- C13 H16 Br N -","- C52 H64 Br4 N4 -","4","1","","Jianrong (Steve) Zhou; John F. Hartwig","Intermolecular, Catalytic Asymmetric Hydroamination of Bicyclic Alkenes and Dienes in High Yield and Enantioselectivity","Journal of the American Chemical Society","2008","130","","12220","12221","10.1021/ja803523z","","","0.71073","MoKα","","0.0678","0.0284","","","0.0515","0.058","","","","","","0.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108368","11.0172","0.0007","14.7202","0.0009","19.881","0.0012","90","","90","","90","","3224.2","0.3","188","2","188","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H51 N3 O2 S4 W -","- C25 H51 N3 O2 S4 W -","- C100 H204 N12 O8 S16 W4 -","4","1","","Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm","A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes","Journal of the American Chemical Society","2008","130","","12794","12807","10.1021/ja804000k","","","0.71073","MoKα","","0.0254","0.023","","","0.05","0.051","","","","","","1.061","","","","has coordinates","178829","2020-10-21","18:00:00",""
"4108443","6.0539","0.0018","18.545","0.006","23.851","0.006","90","","90","","90","","2677.7","1.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Br N O3 -","- C28 H36 Br N O3 -","- C112 H144 Br4 N4 O12 -","4","1","","David A. Kummer; William J. Chain; Marvin R. Morales; Olga Quiroga; Andrew G. Myers","Stereocontrolled Alkylative Construction of Quaternary Carbon Centers","Journal of the American Chemical Society","2008","130","","13231","13233","10.1021/ja806021y","","","0.71073","MoKα","","0.0934","0.0536","","","0.1087","0.1239","","","","","","0.99","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108454","9.3238","0.0006","9.8521","0.0006","17.4034","0.0012","90","","90","","90","","1598.66","0.18","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(2R,3R)-3-methyl-4-oxo-1,4-diphenylbutan-2-yl acetate","(2R,3R)-3-methyl-4-oxo-1,4-diphenylbutan-2-yl acetate","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Jarugu Narasimha Moorthy; Subhas Samanta; Apurba L. Koner; Satyajit Saha; Werner M. Nau","Intramolecular O-H...O Hydrogen-Bond-Mediated Reversal in the Partitioning of Conformationally Restricted Triplet 1,4-Biradicals and Amplification of Diastereodifferentiation in Their Lifetimes","Journal of the American Chemical Society","2008","130","","13608","13617","10.1021/ja8032179","","","0.71073","MoKα","","0.0717","0.0527","","","0.1202","0.1437","","","","","","1.097","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108472","8.937","0.006","10.736","0.008","26.003","0.017","90","","90","","90","","2495","3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N3 Ni O2 S2 -","- C25 H34 N3 Ni O2 S2 -","- C100 H136 N12 Ni4 O8 S8 -","4","1","","William G. Dougherty; Krishnan Rangan; Molly J. O'Hagan; Glenn P. A. Yap; Charles G. Riordan","Binuclear Complexes Containing a Methylnickel Moiety: Relevance to Organonickel Intermediates in Acetyl Coenzyme A Synthase Catalysis","Journal of the American Chemical Society","2008","130","","13510","13511","10.1021/ja803795k","","","0.71073","MoKα","","0.0643","0.0528","","","0.1262","0.1353","","","","","","1.064","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108475","9.2969","0.0009","12.2219","0.0011","15.8158","0.0016","90","","90","","90","","1797.1","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Douglas C. Beshore; Amos B. Smith","The Lyconadins: Enantioselective Total Syntheses of (+)-Lyconadin A and (-)-Lyconadin B","Journal of the American Chemical Society","2008","130","","13778","13789","10.1021/ja804939r","","","0.71069","MoKα","","0.0409","0.0386","","","0.0895","0.0912","","","","","","1.078","","","","has coordinates","178830","2020-10-21","18:00:00",""
"4108513","11.5849","0.001","12.337","0.0011","16.4652","0.0015","90","","90","","90","","2353.3","0.4","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 F3 O6 S -","- C22 H33 F3 O6 S -","- C88 H132 F12 O24 S4 -","4","1","","Serge Phoenix; Maddi Sridhar Reddy; Pierre Deslongchamps","Total Synthesis of (+)-Cassaine via Transannular Diels-Alder Reaction","Journal of the American Chemical Society","2008","130","","13989","13995","10.1021/ja805097s","","","0.71073","MoKα","","0.0375","0.0321","","","0.083","0.0868","","","","","","1.044","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108514","9.18","0.001","12.581","0.0014","16.5854","0.0018","90","","90","","90","","1915.5","0.4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 F9 N2 O Sb -","- C16 H14 F9 N2 O Sb -","- C64 H56 F36 N8 O4 Sb4 -","4","1","","Ximin Li; Peng Liu; K. N. Houk; Vladimir B. Birman","Origin of Enantioselectivity in CF3-PIP-Catalyzed Kinetic Resolution of Secondary Benzylic Alcohols","Journal of the American Chemical Society","2008","130","","13836","13837","10.1021/ja805275s","","","0.71073","MoKα","","0.0506","0.0446","","","0.107","0.1112","","","","","","1.053","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108527","7.8633","0.0003","12.3026","0.0004","13.8229","0.0005","90","","90","","90","","1337.21","0.08","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Guillaume Barbe; André B. Charette","Total Synthesis of (+)-Lepadin B: Stereoselective Synthesis of Nonracemic Polysubstituted Hydroquinolines Using an RC-ROM Process","Journal of the American Chemical Society","2008","130","","13873","13875","10.1021/ja8068215","","","1.54178","CuKα","","0.0319","0.0306","","","0.0822","0.0832","","","","","","1.16","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108556","8.9755","0.0004","10.0418","0.0004","15.1088","0.0007","90","","90","","90","","1361.76","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O7 -","- C12 H19 N O7 -","- C48 H76 N4 O28 -","4","1","","Qin Liu; Stéphane Perreault; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Glyoxamides with Alkylidenemalonates","Journal of the American Chemical Society","2008","130","","14066","14067","10.1021/ja805680z","","","0.71073","MoKα","","0.0329","0.0292","","","0.0766","0.0791","","","","","","1.037","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108557","8.973","0.0014","10.0535","0.0015","15.128","0.002","90","","90","","90","","1364.7","0.3","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 O7 -","- C13 H19 O7 -","- C52 H76 O28 -","4","1","","Qin Liu; Stéphane Perreault; Tomislav Rovis","Catalytic Asymmetric Intermolecular Stetter Reaction of Glyoxamides with Alkylidenemalonates","Journal of the American Chemical Society","2008","130","","14066","14067","10.1021/ja805680z","","","1.54178","CuKα","","0.0318","0.0307","","","0.0787","0.0796","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108560","9.243","0.002","17.038","0.003","18.927","0.003","90","","90","","90","","2980.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 Fe P Si2 -","- C28 H47 Fe P Si2 -","- C112 H188 Fe4 P4 Si8 -","4","1","","Arnaud Voituriez; Armen Panossian; Nicolas Fleury-Brégeot; Pascal Retailleau; Angela Marinetti","2-Phospha[3]ferrocenophanes with Planar Chirality: Synthesis and Use in Enantioselective Organocatalytic [3 + 2] Cyclizations","Journal of the American Chemical Society","2008","130","","14030","14031","10.1021/ja806060a","","","0.71069","MoKα","","0.0392","0.0308","","","0.0689","0.0732","","","","","","1.05","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108563","13.813","0.004","15.029","0.005","15.943","0.005","90","","90","","90","","3309.7","1.8","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Cl N4 O P -","- C36 H44 Cl N4 O P -","- C144 H176 Cl4 N16 O4 P4 -","4","1","","Daisuke Uraguchi; Yusuke Ueki; Takashi Ooi","Chiral Tetraaminophosphonium Carboxylate-Catalyzed Direct Mannich-Type Reaction","Journal of the American Chemical Society","2008","130","","14088","14089","10.1021/ja806311e","","","0.71073","MoKα","","0.0772","0.0615","","","0.1293","0.137","","","","","","1.078","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108564","12.212","0.003","15.543","0.003","19.012","0.004","90","","90","","90","","3608.7","1.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H49 Cl N4 O P -","- C38 H44 Cl N4 O P -","- C152 H176 Cl4 N16 O4 P4 -","4","1","","Daisuke Uraguchi; Yusuke Ueki; Takashi Ooi","Chiral Tetraaminophosphonium Carboxylate-Catalyzed Direct Mannich-Type Reaction","Journal of the American Chemical Society","2008","130","","14088","14089","10.1021/ja806311e","","","0.71073","MoKα","","0.1062","0.0822","","","0.1771","0.1912","","","","","","1.058","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108572","12.1878","0.0003","12.6552","0.0003","13.4231","0.0003","90","","90","","90","","2070.37","0.08","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 Cu2 Fe3 N2 O9 Te -","- C13 H6 Cu2 Fe3 N2 O9 Te -","- C52 H24 Cu8 Fe12 N8 O36 Te4 -","4","1","","Minghuey Shieh; Chia-Hua Ho; Wen-Shyan Sheu; Bo-Gaun Chen; Yen-Yi Chu; Chia-Yeh Miu; Hsiang-Lin Liu; Chih-Chiang Shen","Semiconducting Tellurium-Iron-Copper Carbonyl Polymers","Journal of the American Chemical Society","2008","130","","14114","14116","10.1021/ja8065623","","","0.71073","MoKα","","0.0407","0.0297","","","0.0633","0.0727","","","","","","1.157","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108574","6.0498","0.0002","18.4635","0.0006","18.5718","0.0005","90","","90","","90","","2074.48","0.11","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O6 -","- C20 H19 Br N2 O6 -","- C80 H76 Br4 N8 O24 -","4","1","","Andrew J. Young; M. Christina White","Catalytic Intermolecular Allylic C-H Alkylation","Journal of the American Chemical Society","2008","130","","14090","14091","10.1021/ja806867p","","","0.71073","MoKα","","0.0488","0.0313","","","0.0583","0.0624","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4108580","9.517","0.003","10.707","0.003","27.359","0.007","90","","90","","90","","2787.8","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Br N2 O4 S -","- C30 H27 Br N2 O4 S -","- C120 H108 Br4 N8 O16 S4 -","4","1","","Xiao-Xia Yan; Qian Peng; Qing Li; Kai Zhang; Jun Yao; Xue-Long Hou; Yun-Dong Wu","Highly Diastereoselective Switchable Enantioselective Mannich Reaction of Glycine Derivatives with Imines","Journal of the American Chemical Society","2008","130","","14362","14363","10.1021/ja804527r","","","0.71073","MoKα","","0.0961","0.0527","","","0.1065","0.1154","","","","","","0.805","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108582","5.699","0.002","14.472","0.005","15.647","0.006","90","","90","","90","","1290.5","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Bruce H. Lipshutz; Benjamin Amorelli; John B. Unger","CuH-Catalyzed Enantioselective Intramolecular Reductive Aldol Reactions Generating Three New Contiguous Asymmetric Stereocenters","Journal of the American Chemical Society","2008","130","","14378","14379","10.1021/ja8045475","","","1.54178","CuKα","","0.0273","0.0263","","","0.0692","0.0703","","","","","","1.377","","","","has coordinates","178831","2020-10-21","18:00:00",""
"4108605","5.30465","0.0001","10.7432","0.0002","32.9748","0.0007","90","","90","","90","","1879.2","0.06","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Cl N2 O3 -","- C20 H21 Cl N2 O3 -","- C80 H84 Cl4 N8 O12 -","4","1","","Takuya Hashimoto; Nanase Uchiyama; Keiji Maruoka","Trans-Selective Asymmetric Aziridination of Diazoacetamides and N-Boc Imines Catalyzed by Axially Chiral Dicarboxylic Acid","Journal of the American Chemical Society","2008","130","","14380","14381","10.1021/ja805635c","","","1.54187","CuKα","","","0.0312","","","","0.1028","","","","","","0.851","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108607","8.431","0.003","11.804","0.004","29.338","0.01","90","","90","","90","","2919.7","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 F6 N4 O2 -","- C32 H28 F6 N4 O2 -","- C128 H112 F24 N16 O8 -","4","1","","Jeremiah P. Malerich; Koji Hagihara; Viresh H. Rawal","Chiral Squaramide Derivatives are Excellent Hydrogen Bond Donor Catalysts","Journal of the American Chemical Society","2008","130","","14416","14417","10.1021/ja805693p","","","0.71073","MoKα","","0.0644","0.0539","","","0.1273","0.132","","","","","","1.022","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108608","15.1203","0.0006","18.3992","0.0006","19.3287","0.0008","90","","90","","90","","5377.3","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H58 Ir N O6 P2 -","- C54 H40 Ir N O4 P2 -","- C216 H160 Ir4 N4 O16 P8 -","4","1","","In Su Kim; Ming-Yu Ngai; Michael J. Krische","Enantioselective Iridium-Catalyzed Carbonyl Allylation from the Alcohol or Aldehyde Oxidation Level via Transfer Hydrogenative Coupling of Allyl Acetate: Departure from Chirally Modified Allyl Metal Reagents in Carbonyl Addition","Journal of the American Chemical Society","2008","130","","14891","14899","10.1021/ja805722e","","","0.7107","MoKα","","0.0896","0.0662","","","0.1576","0.1677","","","","","","1.111","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108625","13.5747","0.0015","30.56","0.003","33.71","0.004","90","","90","","90","","13984","3","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C158 H167 Cl6 N10 Ni2 Pt -","- C158 H167 Cl6 N10 Ni2 Pt -","- C632 H668 Cl24 N40 Ni8 Pt4 -","4","1","","Shigeru Yamaguchi; Taisuke Katoh; Hiroshi Shinokubo; Atsuhiro Osuka","Pt(II)- and Pt(IV)-Bridged Cofacial Diporphyrins via Carbon-Transition Metal σ-Bonds","Journal of the American Chemical Society","2008","130","","14440","14441","10.1021/ja8066385","","","0.71073","MoKα","","0.0429","0.0356","","","0.0846","0.0917","","","","","","1.009","","","","has coordinates,has disorder","178832","2020-10-21","18:00:00",""
"4108652","7.9537","0.0014","9.9845","0.0017","12.839","0.002","90","","90","","90","","1019.6","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cl N O -","- C12 H10 Cl N O -","- C48 H40 Cl4 N4 O4 -","4","1","","Barry M. Trost; Patrick J. McDougall; Olaf Hartmann; Peter T. Wathen","Asymmetric Synthesis of Bicyclo[4.3.1]decadienes and Bicyclo[3.3.2]decadienes via [6 + 3] Trimethylenemethane Cycloaddition with Tropones","Journal of the American Chemical Society","2008","130","","14960","14961","10.1021/ja806979b","","","0.71073","MoKα","","0.0255","0.0244","","","0.0635","0.0643","","","","","","1.034","","","","has coordinates","178832","2020-10-21","18:00:00",""
"4108690","7.969","0.0003","16.396","0.0013","20.776","0.0017","90","","90","","90","","2714.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H45 B N2 O3 -","- C24 H45 B N2 O3 -","- C96 H180 B4 N8 O12 -","4","1","","Takuji Hatakeyama; Masaharu Nakamura; Eiichi Nakamura","Diastereoselective Addition of Zincated Hydrazones to Alkenylboronates and Stereospecific Trapping of Boron/Zinc Bimetallic Intermediates by Carbon Electrophiles","Journal of the American Chemical Society","2008","130","","15688","15701","10.1021/ja806258v","","x-ray","0.71073","MoKα","","0.0693","0.058","","","0.1626","0.1785","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108701","13.3774","0.0003","24.1261","0.0005","34.2459","0.0007","90","","90","","90","","11052.7","0.4","153.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H140 Al2 N8 O47 Si W10 -","- C58 Al2 N8 O47 Si W10 -","- C232 Al8 N32 O188 Si4 W40 -","4","1","","Yuji Kikukawa; Syuhei Yamaguchi; Yoshinao Nakagawa; Kazuhiro Uehara; Sayaka Uchida; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis of a Dialuminum-Substituted Silicotungstate and the Diastereoselective Cyclization of Citronellal Derivatives","Journal of the American Chemical Society","2008","130","","15872","15878","10.1021/ja8014154","","","0.71069","MoKα","","","0.0691","","","","0.2086","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108707","12.3773","0.0002","13.1425","0.0002","18.706","0.0003","90","","90","","90","","3042.88","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Cl F6 N3 Pd Sb -","- C29 H41 Cl F6 N3 Pd Sb -","- C116 H164 Cl4 F24 N12 Pd4 Sb4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.045","0.0313","","","0.0489","0.0507","","","","","","1.165","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108710","9.2815","0.0003","11.4873","0.0004","15.1073","0.0005","90","","90","","90","","1610.73","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl2 N2 Pd -","- C15 H26 Cl2 N2 Pd -","- C60 H104 Cl8 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0452","0.0317","","","0.0525","0.0542","","","","","","1.139","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108712","9.7607","0.0003","12.7153","0.0004","15.4067","0.0005","90","","90","","90","","1912.13","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Cl4 N2 Pd -","- C16 H28 Cl4 N2 Pd -","- C64 H112 Cl16 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0766","0.0466","","","0.0737","0.0788","","","","","","1.108","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108713","8.8518","0.0003","14.7348","0.0004","15.4442","0.0004","90","","90","","90","","2014.38","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Br2 Cl2 N2 Pd -","- C16 H28 Br2 Cl2 N2 Pd -","- C64 H112 Br8 Cl8 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","Structural Features and Reactivity of (Sparteine)PdCl2: A Model for Selectivity in the Oxidative Kinetic Resolution of Secondary Alcohols","Journal of the American Chemical Society","2008","130","","15957","15966","10.1021/ja804955e","","","0.71073","MoKα","","0.0565","0.0341","","","0.0526","0.0574","","","","","","1.046","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4108716","12.461","0.003","18.925","0.005","22.839","0.006","90","","90","","90","","5386","2","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Trifluorobistryptycilsilicate","","","- C56 H58 Cl4 F3 K O6 Si -","- C56 H56 Cl4 F3 K O6 Si -","- C224 H224 Cl16 F12 K4 O24 Si4 -","4","1","","Wataru Setaka; Takayoshi Nirengi; Chizuko Kabuto; Mitsuo Kira","Introduction of Clutch Function into a Molecular Gear System by Silane-Silicate Interconversion","Journal of the American Chemical Society","2008","130","","15762","15763","10.1021/ja805777p","","","0.71073","MoKα","","0.1044","0.0779","","","0.1993","0.2175","","","","","","1.065","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108727","12.099","0.004","13.535","0.004","18.125","0.006","90","","90","","90","","2968.1","1.6","103.15","","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 B N2 -","- C33 H43 B N2 -","- C132 H172 B4 N8 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0363","0.0351","","","0.0841","0.0849","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108728","12.205","0.003","13.677","0.003","17.907","0.004","90","","90","","90","","2989.2","1.2","103.15","","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 B N2 O -","- C33 H43 B N2 O -","- C132 H172 B4 N8 O4 -","4","1","","Yasutomo Segawa; Yuta Suzuki; Makoto Yamashita; Kyoko Nozaki","Chemistry of Boryllithium: Synthesis, Structure, and Reactivity","Journal of the American Chemical Society","2008","130","","16069","16079","10.1021/ja8057919","","","0.7107","MoKα","","0.0419","0.0402","","","0.1034","0.1051","","","","","","1.086","","","","has coordinates,has disorder","178833","2020-10-21","18:00:00",""
"4108754","9.6888","0.0005","11.7838","0.0007","21.5338","0.0012","90","","90","","90","","2458.5","0.2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Cl2 N4 O2 -","- C24 H29.67 Cl2 N4 O2 -","- C96 H118.68 Cl8 N16 O8 -","4","1","","Xu Cheng; Sreekumar Vellalath; Richard Goddard; Benjamin List","Direct Catalytic Asymmetric Synthesis of Cyclic Aminals from Aldehydes","Journal of the American Chemical Society","2008","130","","15786","15787","10.1021/ja8071034","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4108780","8.561","0.0019","11.733","0.004","20.575","0.006","90","","90","","90","","2066.7","1","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N O3 -","- C23 H24 Cl N O3 -","- C92 H96 Cl4 N4 O12 -","4","1","","Ryo Shintani; Soyoung Park; Fumitaka Shirozu; Masataka Murakami; Tamio Hayashi","Palladium-Catalyzed Asymmetric Decarboxylative Lactamization of γ-Methylidene-δ-valerolactones with Isocyanates: Conversion of Racemic Lactones to Enantioenriched Lactams","Journal of the American Chemical Society","2008","130","","16174","16175","10.1021/ja807662b","","","0.71075","MoKα","","","0.0435","","","","0.0519","","","","","","0.837","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108781","8.0654","0.0016","20.143","0.003","24.741","0.004","90","","90","","90","","4019.5","1.2","123.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H49 Cl N O5 P Pd -","- C45 H49 Cl N O5 P Pd -","- C180 H196 Cl4 N4 O20 P4 Pd4 -","4","1","","Ryo Shintani; Soyoung Park; Fumitaka Shirozu; Masataka Murakami; Tamio Hayashi","Palladium-Catalyzed Asymmetric Decarboxylative Lactamization of γ-Methylidene-δ-valerolactones with Isocyanates: Conversion of Racemic Lactones to Enantioenriched Lactams","Journal of the American Chemical Society","2008","130","","16174","16175","10.1021/ja807662b","","","0.71075","MoKα","","","0.0741","","","","0.1625","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108783","12.5853","0.0008","15.744","0.001","24.1309","0.0017","90","","90","","90","","4781.4","0.5","153","2","15.3","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H42 F6 O7 P2 Pt S2 -","- C50 H42 F6 O7 P2 Pt S2 -","- C200 H168 F24 O28 P8 Pt4 S8 -","4","1","","Jennifer L. McBee; Alexis T. Bell; T. Don Tilley","Mechanistic Studies of the Hydroamination of Norbornene with Electrophilic Platinum Complexes: The Role of Proton Transfer","Journal of the American Chemical Society","2008","130","","16562","16571","10.1021/ja8030104","","","0.71073","MoKα","","0.0362","0.0305","","","0.062","0.0632","","","","","","1.018","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108785","15.801","0.009","15.752","0.009","18.259","0.01","90","","90","","90","","4545","4","173","1","173","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H57 Cu2 F6 N4 O4 Sb -","- C37 H57 Cu2 F6 N4 O4 Sb -","- C148 H228 Cu8 F24 N16 O16 Sb4 -","4","1","","Yasuhiro Funahashi; Tomohide Nishikawa; Yuko Wasada-Tsutsui; Yuji Kajita; Syuhei Yamaguchi; Hidekazu Arii; Tomohiro Ozawa; Koichiro Jitsukawa; Takehiko Tosha; Shun Hirota; Teizo Kitagawa; Hideki Masuda","Formation of a Bridged Butterfly-Type μ-η2:η2-Peroxo Dicopper Core Structure with a Carboxylate Group","Journal of the American Chemical Society","2008","130","","16444","16445","10.1021/ja804201z","","","0.7107","MoKα","","","0.0744","","","","0.1098","","","","","","1.002","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108792","8.3834","0.0009","13.102","0.002","14.396","0.002","90","","90","","90","","1581.2","0.4","293.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","1","","Byungsook Kim; Miseon Lee; Mi Jung Kim; Hyunjoo Lee; Sanghee Kim; Deukjoon Kim; Minseob Koh; Seung Bum Park; Kye Jung Shin","Biomimetic Asymmetric Total Synthesis of (-)-Laurefucin via an Organoselenium-Mediated Intramolecular Hydroxyetherification","Journal of the American Chemical Society","2008","130","","16807","16811","10.1021/ja806304s","","","0.7107","MoKα","","","0.06","","","","0.162","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108793","5.7314","0.0005","13.9725","0.0013","17.716","0.0016","90","","90","","90","","1418.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br N2 O2 -","- C16 H13 Br N2 O2 -","- C64 H52 Br4 N8 O8 -","4","1","","Madhu Ganesh; Daniel Seidel","Catalytic Enantioselective Additions of Indoles to Nitroalkenes","Journal of the American Chemical Society","2008","130","","16464","16465","10.1021/ja8063292","","","0.71073","MoKα","","0.0244","0.0235","","","0.0601","0.0605","","","","","","1.002","","","","has coordinates","178833","2020-10-21","18:00:00",""
"4108829","11.3241","0.0017","20.604","0.003","35.073","0.006","90","","90","","90","","8183","2","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H57 K3 N4 O23 S6 -","- C77 H57 K3 N4 O23 S6 -","- C308 H228 K12 N16 O92 S24 -","4","1","","Manabu Hatano; Toshikatsu Maki; Katsuhiko Moriyama; Manabu Arinobe; Kazuaki Ishihara","Pyridinium 1,1'-Binaphthyl-2,2'-disulfonates as Highly Effective Chiral Brønsted Acid-Base Combined Salt Catalysts for Enantioselective Mannich-Type Reaction","Journal of the American Chemical Society","2008","130","","16858","16860","10.1021/ja806875c","","","0.71073","MoKα","","0.0979","0.0753","","","0.2221","0.2439","","","","","","1.071","","","","has coordinates,has disorder","178834","2020-10-21","18:00:00",""
"4108830","6.001","0.005","10.898","0.005","29.128","0.005","90","0.005","90","0.005","90","0.005","1904.9","1.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[2-Acetyl-1-(4-bromo-phenyl)-2-hydroxy-3-oxo-butyl] -carbamic acid benzyl ester","","","- C20 H20 Br N O5 -","- C20 H20 Br N O5 -","- C80 H80 Br4 N4 O20 -","4","1","","Manabu Hatano; Toshikatsu Maki; Katsuhiko Moriyama; Manabu Arinobe; Kazuaki Ishihara","Pyridinium 1,1'-Binaphthyl-2,2'-disulfonates as Highly Effective Chiral Brønsted Acid-Base Combined Salt Catalysts for Enantioselective Mannich-Type Reaction","Journal of the American Chemical Society","2008","130","","16858","16860","10.1021/ja806875c","","","0.71069","MoKα","","0.0361","0.0312","","","0.0741","0.0759","","","","","","1.003","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108848","7.6919","0.0003","18.7778","0.0007","19.2958","0.0007","90","","90","","90","","2787.03","0.18","293","2","293","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 B F3 N8 O5 P S W -","- C20 H27 B F3 N8 O5 P S W -","- C80 H108 B4 F12 N32 O20 P4 S4 W4 -","4","1","","Daniel P. Harrison; Kevin D. Welch; Adam C. Nichols-Nielander; Michal Sabat; William H. Myers; W. Dean Harman","Efficient Synthesis of an η2-Pyridine Complex and a Preliminary Investigation of the Bound Heterocycle's Reactivity","Journal of the American Chemical Society","2008","130","","16844","16845","10.1021/ja807521d","","","0.71073","MoKα","","0.0402","0.033","","","0.064","0.0657","","","","","","0.861","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108883","9.0431","0.0002","9.3052","0.0002","21.7992","0.0002","90","","90","","90","","1834.36","0.06","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(+)-(S)-(E)-1-(2-(methylthio)phenyl)-2-styrylhexan-1-one","","- C21 H24 O S -","- C21 H24 O S -","- C84 H96 O4 S4 -","4","1","","James D. Osborne; Helen E. Randell-Sly; Gordon S. Currie; Andrew R. Cowley; Michael C. Willis","Catalytic Enantioselective Intermolecular Hydroacylation: Rhodium-Catalyzed Combination of β-S-Aldehydes and 1,3-Disubstituted Allenes","Journal of the American Chemical Society","2008","130","","17232","17233","10.1021/ja8069133","","","0.71073","MoKα","","0.0339","0.03","","0.0387","0.0348","0.0348","","","","","","1.0792","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108894","7.2182","0.0007","12.1753","0.0013","14.1824","0.0015","90","","90","","90","","1246.4","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H72 Ni4 O24 -","- C40 H72 Ni4 O24 -","- C40 H72 Ni4 O24 -","1","0.25","","Jian Zhang; Shumei Chen; Areg Zingiryan; Xianhui Bu","Integrated Molecular Chirality, Absolute Helicity, and Intrinsic Chiral Topology in Three-Dimensional Open-Framework Materials","Journal of the American Chemical Society","2008","130","","17246","17247","10.1021/ja8075692","","","0.71073","MoKα","","0.0526","0.0454","","","0.121","0.1256","","","","","","1.038","","","","has coordinates","178834","2020-10-21","18:00:00",""
"4108903","7.2823","0.0005","8.0024","0.0006","24.632","0.0017","90","","90","","90","","1435.45","0.18","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C68 H60 N4 O12 S4 -","4","1","","Michael Rommel; Takeo Fukuzumi; Jeffrey W. Bode","Cyclic Ketimines as Superior Electrophiles for NHC-Catalyzed Homoenolate Additions with Broad Scope and Low Catalyst Loadings","Journal of the American Chemical Society","2008","130","","17266","17267","10.1021/ja807937m","","","0.71073","MoKα","","0.048","0.0442","","","0.1184","0.1215","","","","","","1.122","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108917","13.469","0.003","14.537","0.003","28.83","0.006","90","","90","","90","","5645","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H75 Ce N16 O12 -","- C47 H66 Ce N16 O12 -","- C188 H264 Ce4 N64 O48 -","4","1","","Janusz Gregoliński; Przemysław Starynowicz; KimNgan T. Hua; Jamie L. Lunkley; Gilles Muller; Jerzy Lisowski","Helical Lanthanide(III) Complexes with Chiral Nonaaza Macrocycle","Journal of the American Chemical Society","2008","130","","17761","17773","10.1021/ja805033j","","","0.71073","MoKα","","0.0678","0.0502","","","0.1145","0.1225","","","","","","1.077","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108919","13.486","0.008","14.542","0.008","28.702","0.017","90","","90","","90","","5629","6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H73.33 N15 O12.67 Pr -","- C45 H63 N15 O12.65 Pr -","- C180 H252 N60 O50.6 Pr4 -","4","1","","Janusz Gregoliński; Przemysław Starynowicz; KimNgan T. Hua; Jamie L. Lunkley; Gilles Muller; Jerzy Lisowski","Helical Lanthanide(III) Complexes with Chiral Nonaaza Macrocycle","Journal of the American Chemical Society","2008","130","","17761","17773","10.1021/ja805033j","","","0.71073","MoKα","","0.0815","0.059","","","0.1333","0.1408","","","","","","1.037","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108939","8.7457","0.0007","9.5756","0.0007","31.598","0.002","90","","90","","90","","2646.2","0.3","173","2","173","2","","","","","","","chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","drsenone","(4a<i>S</i>,8a<i>S</i>,9<i>S</i>)-3-(Benzyloxy)-4a-(<i>tert</i>- butyldimethylsilyloxy)-9-(dimethylamino)-8a,9- dihydronaphtho[2,3-<i>d</i>]isoxazole-4,5(4a<i>H</i>,8<i>H</i>)-dione","","- C26 H34 N2 O5 Si -","- C26 H34 N2 O5 Si -","- C104 H136 N8 O20 Si4 -","4","1","","Cuixiang Sun; Qiu Wang; Jason D. Brubaker; Peter M. Wright; Christian D. Lerner; Kevin Noson; Mark Charest; Dionicio R. Siegel; Yi-Ming Wang; Andrew G. Myers","A Robust Platform for the Synthesis of New Tetracycline Antibiotics","Journal of the American Chemical Society","2008","130","","17913","17927","10.1021/ja806629e","","","0.71073","MoKα","","0.0851","0.0531","","","0.0961","0.1077","","","","","","1.005","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108944","9.669","0.0019","13.587","0.003","19.429","0.004","90","","90","","90","","2552.4","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 Cl N2 O5 -","- C25 H35 Cl N2 O5 -","- C100 H140 Cl4 N8 O20 -","4","1","","Jeremy M. Richter; Yoshihiro Ishihara; Takeshi Masuda; Brandon W. Whitefield; Tomás Llamas; Antti Pohjakallio; Phil S. Baran","Enantiospecific Total Synthesis of the Hapalindoles, Fischerindoles, and Welwitindolinones via a Redox Economic Approach","Journal of the American Chemical Society","2008","130","","17938","17954","10.1021/ja806981k","","","0.71073","MoKα","","0.1034","0.0668","","","0.1641","0.187","","","","","","1.018","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108956","7.147","0.0008","8.8352","0.001","27.978","0.003","90","","90","","90","","1766.7","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 S -","- C19 H25 N O3 S -","- C76 H100 N4 O12 S4 -","4","1","","Hiroki Mandai; Kyoko Mandai; Marc L. Snapper; Amir H. Hoveyda","Three-Component Ag-Catalyzed Enantioselective Vinylogous Mannich and Aza-Diels-Alder Reactions with Alkyl-Substituted Aldehydes","Journal of the American Chemical Society","2008","130","","17961","17969","10.1021/ja807243t","","","0.71073","MoKα","","0.0372","0.0358","","","0.0891","0.0903","","","","","","1.067","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108957","8.6986","0.0012","10.158","0.0014","19.095","0.003","90","","90","","90","","1687.2","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C72 H84 N4 O12 S4 -","4","1","","Hiroki Mandai; Kyoko Mandai; Marc L. Snapper; Amir H. Hoveyda","Three-Component Ag-Catalyzed Enantioselective Vinylogous Mannich and Aza-Diels-Alder Reactions with Alkyl-Substituted Aldehydes","Journal of the American Chemical Society","2008","130","","17961","17969","10.1021/ja807243t","","","0.71073","MoKα","","0.0351","0.0328","","","0.0778","0.0793","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4108961","11.6797","0.0011","32.209","0.003","33.262","0.003","90","","90","","90","","12513","2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C130 H153 Co4 N8 O9 -","- C130 H153 Co4 N8 O9 -","- C520 H612 Co16 N32 O36 -","4","1","","Wataru Hirahata; Renee M. Thomas; Emil B. Lobkovsky; Geoffrey W. Coates","Enantioselective Polymerization of Epoxides: A Highly Active and Selective Catalyst for the Preparation of Stereoregular Polyethers and Enantiopure Epoxides","Journal of the American Chemical Society","2008","130","","17658","17659","10.1021/ja807709j","","","0.71073","MoKα","","0.0963","0.0496","","","0.092","0.0995","","","","","","0.903","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108967","7.531","0.001","14.291","0.002","14.92","0.003","90","","90","","90","","1605.8","0.4","243.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 Mn2 N8 O3 -","- C9 H15 Mn2 N8 O2 -","- C36 H60 Mn8 N32 O8 -","4","1","","Wakako Kaneko; Susumu Kitagawa; Masaaki Ohba","Chiral Cyanide-Bridged MnIIMnIII Ferrimagnets, [MnII(HL)(H2O)][MnIII(CN)6].2H2O (L = S- or R-1,2-diaminopropane): Syntheses, Structures, and Magnetic Behaviors","Journal of the American Chemical Society","2007","129","","248","249","10.1021/ja066140b","","","0.7107","MoKα","","","0.032","","","","0.0838","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108968","7.5145","0.0005","14.261","0.001","14.844","0.001","90","","90","","90","","1590.75","0.19","243.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 Mn2 N8 O3 -","- C9 H15 Mn2 N8 O2 -","- C36 H60 Mn8 N32 O8 -","4","1","","Wakako Kaneko; Susumu Kitagawa; Masaaki Ohba","Chiral Cyanide-Bridged MnIIMnIII Ferrimagnets, [MnII(HL)(H2O)][MnIII(CN)6].2H2O (L = S- or R-1,2-diaminopropane): Syntheses, Structures, and Magnetic Behaviors","Journal of the American Chemical Society","2007","129","","248","249","10.1021/ja066140b","","","0.7107","MoKα","","","0.0422","","","","0.116","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108976","7.3503","0.0015","11.878","0.002","33.132","0.007","90","","90","","90","","2892.7","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br2 N4 O5 -","- C27 H22 Br2 N4 O5 -","- C108 H88 Br8 N16 O20 -","4","1","","Carrie E. Aroyan; Scott J. Miller","Enantioselective Rauhut-Currier Reactions Promoted by Protected Cysteine","Journal of the American Chemical Society","2007","129","","256","257","10.1021/ja067139f","","","0.71073","MoKα","","0.0891","0.0521","","","0.1252","0.1417","","","","","","1.008","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108977","10.636","0.005","28.815","0.005","31.319","0.005","90","0.005","90","0.005","90","0.005","9599","5","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C108 H115 N9 O18 -","- C108 H115 N9 O18 -","- C432 H460 N36 O72 -","4","1","","Thomas B. Poulsen; Luca Bernardi; José Alemán; Jacob Overgaard; Karl Anker Jørgensen","Organocatalytic Asymmetric Direct α-Alkynylation of Cyclic β-Ketoesters","Journal of the American Chemical Society","2007","129","","441","449","10.1021/ja067289q","","x-ray","0.71069","MoKα","","0.1586","0.1225","","","0.3066","0.3288","","","","","","1.029","","","","has coordinates,has disorder","178835","2020-10-21","18:00:00",""
"4108978","4.7314","0.0009","9.4083","0.0019","23.648","0.005","90","","90","","90","","1052.7","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","","S. S. V. Ramasastry; Haile Zhang; Fujie Tanaka; Carlos F. Barbas","Direct Catalytic Asymmetric Synthesis of anti-1,2-Amino Alcohols and syn-1,2-Diols through Organocatalytic anti-Mannich and syn-Aldol Reactions","Journal of the American Chemical Society","2007","129","","288","289","10.1021/ja0677012","","","0.71073","MoKα","","0.0417","0.0377","","","0.0943","0.0973","","","","","","1.059","","","","has coordinates","178835","2020-10-21","18:00:00",""
"4108980","6.769","0.005","8.058","0.006","28.09","0.02","90","","90","","90","","1532.2","1.9","193.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F N O3 -","- C18 H16 F N O3 -","- C72 H64 F4 N4 O12 -","4","1","","Masato Ito; Ayaka Sakaguchi; Chika Kobayashi; Takao Ikariya","Chemoselective Hydrogenation of Imides Catalyzed by Cp*Ru(PN) Complexes and Its Application to the Asymmetric Synthesis of Paroxetine","Journal of the American Chemical Society","2007","129","","290","291","10.1021/ja067777y","","","0.7107","MoKα","","","0.043","","","","0.123","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4108997","6.5577","0.0007","13.4492","0.0013","16.1147","0.0016","90","","90","","90","","1421.2","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Br I N O -","- C13 H15 Br I N O -","- C52 H60 Br4 I4 N4 O4 -","4","1","","Andre J. B. Lapierre; Steven J. Geib; Dennis P. Curran","Low-Temperature Heck Reactions of Axially Chiral o-Iodoacrylanilides Occur with Chirality Transfer: Implications for Catalytic Asymmetric Heck Reactions","Journal of the American Chemical Society","2007","129","","494","495","10.1021/ja067790i","","","0.71073","MoKα","","0.0156","0.0148","","","0.0372","0.0375","","","","","","0.858","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109019","12.6228","0.0005","15.3039","0.0006","20.0687","0.0008","90","","90","","90","","3876.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1002FH ZH-760 C37H67BNO4Sn chiral xx1","","","- C37 H68 B N O4 Sn -","- C37 H68 B N O4 Sn -","- C148 H272 B4 N4 O16 Sn4 -","4","1","","Dagmar Kapeller; Roland Barth; Kurt Mereiter; Friedrich Hammerschmidt","Preparation of Chiral α-Oxy-[2H1]methyllithiums of 99% ee and Determination of Their Configurational Stability","Journal of the American Chemical Society","2007","129","","914","923","10.1021/ja066183s","","","0.71073","MoKα","","0.0172","0.0165","","","0.042","0.0424","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109058","11.9583","0.0003","18.065","0.0003","21.9228","0.0005","90","","90","","90","","4735.91","0.18","143.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Br N O4 -","- C22 H28 Br N O4 -","- C176 H224 Br8 N8 O32 -","8","2","","Xisheng Wang; Masanori Kitamura; Keiji Maruoka","New, Chiral Phase Transfer Catalysts for Effecting Asymmetric Conjugate Additions of α-Alkyl-α-cyanoacetates to Acetylenic Esters","Journal of the American Chemical Society","2007","129","","1038","1039","10.1021/ja068119g","","","1.54187","CuKα","","","0.0669","","","","0.1804","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109059","5.8517","0.0003","18.9534","0.0006","20.9196","0.0006","90","","90","","90","","2320.18","0.15","143.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Br N O4 -","- C22 H28 Br N O4 -","- C88 H112 Br4 N4 O16 -","4","1","","Xisheng Wang; Masanori Kitamura; Keiji Maruoka","New, Chiral Phase Transfer Catalysts for Effecting Asymmetric Conjugate Additions of α-Alkyl-α-cyanoacetates to Acetylenic Esters","Journal of the American Chemical Society","2007","129","","1038","1039","10.1021/ja068119g","","","1.54187","CuKα","","","0.061","","","","0.1652","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109060","6.32501","0.00011","15.6014","0.0003","22.1928","0.0004","90","","90","","90","","2189.96","0.07","133.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 N O4 Si -","- C19 H33 N O4 Si -","- C76 H132 N4 O16 Si4 -","4","1","","Xisheng Wang; Masanori Kitamura; Keiji Maruoka","New, Chiral Phase Transfer Catalysts for Effecting Asymmetric Conjugate Additions of α-Alkyl-α-cyanoacetates to Acetylenic Esters","Journal of the American Chemical Society","2007","129","","1038","1039","10.1021/ja068119g","","","1.54187","CuKα","","","0.0494","","","","0.1438","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109065","11.123","0.005","12.226","0.005","16.556","0.009","90","","90","","90","","2251.4","1.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N2 O2 S -","- C27 H24 N2 O2 S -","- C108 H96 N8 O8 S4 -","4","1","","Jorge Esquivias; Ramón Gómez Arrayás; Juan C. Carretero","Catalytic Asymmetric Inverse-Electron-Demand Diels-Alder Reaction of N-Sulfonyl-1-Aza-1,3-Dienes","Journal of the American Chemical Society","2007","129","","1480","1481","10.1021/ja0658766","","","0.71073","MoKα","","0.1311","0.0762","","","0.1738","0.2115","","","","","","1.022","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109066","9.4345","0.0002","11.1796","0.0003","21.8461","0.0006","90","","90","","90","","2304.19","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F3 N2 O3 S -","- C25 H23 F3 N2 O3 S -","- C100 H92 F12 N8 O12 S4 -","4","1","","Jorge Esquivias; Ramón Gómez Arrayás; Juan C. Carretero","Catalytic Asymmetric Inverse-Electron-Demand Diels-Alder Reaction of N-Sulfonyl-1-Aza-1,3-Dienes","Journal of the American Chemical Society","2007","129","","1480","1481","10.1021/ja0658766","","","1.54178","CuKα","","0.0305","0.0296","","","0.0763","0.0771","","","","","","1.037","","","","has coordinates","178836","2020-10-21","18:00:00",""
"4109080","8.7737","0.0005","8.8872","0.0005","20.9878","0.0011","90","","90","","90","","1636.49","0.16","193","","193","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","[9]metacyclophane","","- C18 H24 O5 -","- C18 H24 O5 -","- C72 H96 O20 -","4","1","","Ken Tanaka; Hiromi Sagae; Kazuki Toyoda; Keiichi Noguchi; Masao Hirano","Enantioselective Synthesis of Planar-Chiral Metacyclophanes through Rhodium-Catalyzed Alkyne Cyclotrimerization","Journal of the American Chemical Society","2007","129","","1522","1523","10.1021/ja0679127","","","1.54187","CuKα","","0.0358","0.0322","","","0.0806","0.0839","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109084","11.572","0.002","12.151","0.002","19.709","0.004","90","","90","","90","","2771.3","0.9","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H53 Al Li N O -","- C25 H53 Al Li N O -","- C100 H212 Al4 Li4 N4 O4 -","4","1","","Hiroshi Naka; Masanobu Uchiyama; Yotaro Matsumoto; Andrew E. H. Wheatley; Mary McPartlin; James V. Morey; Yoshinori Kondo","An Aluminum Ate Base: Its Design, Structure, Function, and Reaction Mechanism","Journal of the American Chemical Society","2007","129","","1921","1930","10.1021/ja064601n","","","0.71073","MoKα","","0.0731","0.0494","","","0.1092","0.1208","","","","","","1.032","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109086","7.912","0.004","15.001","0.008","36.97","0.02","90","","90","","90","","4388","4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H27 Al Li N -","- C12 H27 Al Li N -","- C144 H324 Al12 Li12 N12 -","12","3","","Hiroshi Naka; Masanobu Uchiyama; Yotaro Matsumoto; Andrew E. H. Wheatley; Mary McPartlin; James V. Morey; Yoshinori Kondo","An Aluminum Ate Base: Its Design, Structure, Function, and Reaction Mechanism","Journal of the American Chemical Society","2007","129","","1921","1930","10.1021/ja064601n","","","0.71073","MoKα","","0.0806","0.0765","","","0.1985","0.2052","","","","","","1.038","","","","has coordinates,has disorder","178836","2020-10-21","18:00:00",""
"4109089","10.7603","0.0003","16.7937","0.0004","20.2847","0.0005","90","","90","","90","","3665.55","0.16","183.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 Al Cl N2 O2 -","- C37 H47 Al Cl N2 O2 -","- C148 H188 Al4 Cl4 N8 O8 -","4","1","","Bunnai Saito; Hiromichi Egami; Tsutomu Katsuki","Synthesis of an Optically Active Al(salalen) Complex and Its Application to Catalytic Hydrophosphonylation of Aldehydes and Aldimines","Journal of the American Chemical Society","2007","129","","1978","1986","10.1021/ja0651005","","","0.71069","MoKα","","","0.0672","","","","0.1756","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109097","15.182","0.001","19.779","0.002","23.308","0.002","90","","90","","90","","6999","1","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78 H76 Cl6 O2 P3 Rh3 -","- C78 H76 Cl6 O2 P3 Rh3 -","- C312 H304 Cl24 O8 P12 Rh12 -","4","1","","Wei-Liang Duan; Hiroshi Iwamura; Ryo Shintani; Tamio Hayashi","Chiral Phosphine-Olefin Ligands in the Rhodium-Catalyzed Asymmetric 1,4-Addition Reactions","Journal of the American Chemical Society","2007","129","","2130","2138","10.1021/ja0671013","","","0.7107","MoKα","","","0.029","","","","0.036","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109140","10.7378","0.0006","11.807","0.0007","39.466","0.002","90","","90","","90","","5003.5","0.5","98","2","98","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H57 Cl3 N6 Ni2 O3 -","- C55 H57 Cl3 N6 Ni2 O3 -","- C220 H228 Cl12 N24 Ni8 O12 -","4","1","","Vadim A. Soloshonok; Hisanori Ueki","Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes with Inherent Helical Chirality","Journal of the American Chemical Society","2007","129","","2426","2427","10.1021/ja0671215","","","0.71073","MoKα","","0.0282","0.0271","","","0.0664","0.0668","","","","","","1.083","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109151","14.0665","0.0004","15.9725","0.0005","18.2569","0.0006","90","","90","","90","","4101.9","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 O10 Os3 P2 -","- C34 H54 O10 Os3 P2 -","- C136 H216 O40 Os12 P8 -","4","1","","Richard D. Adams; Burjor Captain; Lei Zhu","Facile Activation of Hydrogen by an Unsaturated Platinum-Osmium Cluster Complex","Journal of the American Chemical Society","2007","129","","2454","2455","10.1021/ja0688272","","","0.71073","MoKα","","0.051","0.041","","","0.0936","0.0991","","","","","","1.059","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109153","20.4591","0.0009","21.318","0.001","36.871","0.002","90","","90","","90","","16081.2","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C82 H132 Cu9 F30 N24 O88 S10 -","- C82 H88 Cu9 F30 N24 O88 S10 -","- C328 H352 Cu36 F120 N96 O352 S40 -","4","1","","Donatella Armentano; Teresa F. Mastropietro; Miguel Julve; Rachele Rossi; Patrizia Rossi; Giovanni De Munno","A New Octanuclear Copper(II)-Nucleoside Wheel","Journal of the American Chemical Society","2007","129","","2740","2741","10.1021/ja068201b","","","1.54018","CuKα","","0.0926","0.0789","","","0.211","0.2268","","","","","","0.971","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109188","7.7032","0.0005","8.2335","0.0005","20.6614","0.0013","90","","90","","90","","1310.43","0.14","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-methyl-1-phenyl-7-vinyl-8-oxabicyclo[3.2.1]octane","","- C16 H20 O -","- C16 H20 O -","- C64 H80 O4 -","4","1","","Feng Peng; Dennis G. Hall","Simple, Stable, and Versatile Double-Allylation Reagents for the Stereoselective Preparation of Skeletally Diverse Compounds","Journal of the American Chemical Society","2007","129","","3070","3071","10.1021/ja068985t","","","0.71073","MoKα","","0.0359","0.0321","","","0.0786","0.0812","","","","","","1.084","","","","has coordinates","178837","2020-10-21","18:00:00",""
"4109219","9.7132","0.0006","12.2015","0.0007","17.9219","0.001","90","","90","","90","","2124","0.2","128","2","128","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N2 O6 -","- C18 H25 Cl N2 O6 -","- C72 H100 Cl4 N8 O24 -","4","1","","Anand Singh; Ryan A. Yoder; Bo Shen; Jeffrey N. Johnston","Chiral Proton Catalysis: Enantioselective Brønsted Acid Catalyzed Additions of Nitroacetic Acid Derivatives as Glycine Equivalents","Journal of the American Chemical Society","2007","129","","3466","3467","10.1021/ja068073r","","","0.71073","MoKα","","0.0692","0.0461","","","0.0938","0.1033","","","","","","0.847","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109240","5.5767","0.0013","8.914","0.002","33.679","0.008","90","","90","","90","","1674.2","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O2 -","- C19 H17 Br O2 -","- C76 H68 Br4 O8 -","4","1","","Pei-Chen Chiang; Juthanat Kaeobamrung; Jeffrey W. Bode","Enantioselective, Cyclopentene-Forming Annulations via NHC-Catalyzed Benzoin-Oxy-Cope Reactions","Journal of the American Chemical Society","2007","129","","3520","3521","10.1021/ja0705543","","","0.71073","MoKα","","0.1713","0.0632","","","0.1297","0.1758","","","","","","1.207","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109261","9.14","0.006","15.953","0.01","22.952","0.015","90","","90","","90","","3347","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaPhe-Gpn-Phe-OMe","","","- C34 H47 N3 O6 -","- C34 H47 N3 O6 -","- C136 H188 N12 O24 -","4","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0807","0.0541","","","0.1145","0.1251","","","","","","1.154","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109263","15.814","0.002","22.153","0.003","9.57","0.0014","90","","90","","90","","3352.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Gpn-betaPhe-Leu-OMe","","","- C31 H49 N3 O6 -","- C31 H49 N3 O6 -","- C124 H196 N12 O24 -","4","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.1473","0.0786","","","0.2016","0.2372","","","","","","1.123","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109267","6.712","0.003","15.323","0.007","26.306","0.012","90","","90","","90","","2706","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Piv-Pro-Gpn-Val-OMe","","","- C25 H43 N3 O5 -","- C25 H43 N3 O5 -","- C100 H172 N12 O20 -","4","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0646","0.0557","","","0.1344","0.1396","","","","","","1.157","","","","has coordinates,has disorder","178838","2020-10-21","18:00:00",""
"4109268","9.3516","0.0008","13.5541","0.0012","24.864","0.002","90","","90","","90","","3151.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Aib-Gpn-betaPhg-NHMe","","","- C28 H46 N4 O6 -","- C28 H46 N4 O6 -","- C112 H184 N16 O24 -","4","1","","Prema G. Vasudev; Kuppanna Ananda; Sunanda Chatterjee; Subrayashastry Aravinda; Narayanaswamy Shamala; Padmanabhan Balaram","Hybrid Peptide Design. Hydrogen Bonded Conformations in Peptides Containing the Stereochemically Constrained γ-Amino Acid Residue, Gabapentin","Journal of the American Chemical Society","2007","129","","4039","4048","10.1021/ja068910p","","","0.71073","MoKα","","0.0598","0.051","","","0.1293","0.1355","","","","","","1.113","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109281","6.735","0.0013","14.265","0.003","19.583","0.004","90","","90","","90","","1881.4","0.7","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 Au N -","- C25 H16 Au N -","- C100 H64 Au4 N4 -","4","1","","Keith Man-Chung Wong; Ling-Ling Hung; Wai Han Lam; Nianyong Zhu; Vivian Wing-Wah Yam","A Class of Luminescent Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, and Electrochemical, Photophysical, and Computational Studies of [Au(C^N^C)(C\τbCR)] (C^N^C = κ3C,N,C Bis-cyclometalated 2,6-Diphenylpyridyl)","Journal of the American Chemical Society","2007","129","","4350","4365","10.1021/ja068264u","","","0.71069","MoKα","","0.0339","0.0262","","","0.0555","0.0569","","","","","","0.925","","","","has coordinates","178838","2020-10-21","18:00:00",""
"4109303","6.3059","0.0013","13.827","0.003","21.217","0.004","90","","90","","90","","1849.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C76 H92 N4 O20 -","4","1","","Daniel P. O'Malley; Ke Li; Michael Maue; Alexandros L. Zografos; Phil S. Baran","Total Synthesis of Dimeric Pyrrole-Imidazole Alkaloids: Sceptrin, Ageliferin, Nagelamide E, Oxysceptrin, Nakamuric Acid, and the Axinellamine Carbon Skeleton","Journal of the American Chemical Society","2007","129","","4762","4775","10.1021/ja069035a","","","0.71073","MoKα","","0.0516","0.0422","","","0.0948","0.0993","","","","","","1.061","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109321","10.18","0.005","17.88","0.008","18.364","0.008","90","","90","","90","","3343","3","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 F2 N2 Th -","- C36 H44 F2 N2 Th -","- C144 H176 F8 N8 Th4 -","4","1","","Eric J. Schelter; Ping Yang; Brian L. Scott; Ryan E. Da Re; Kimberly C. Jantunen; Richard L. Martin; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger","Systematic Studies of Early Actinide Complexes: Thorium(IV) Fluoroketimides","Journal of the American Chemical Society","2007","129","","5139","5152","10.1021/ja0686458","","","0.71073","MoKα","","0.0471","0.0359","","","0.0757","0.0794","","","","","","0.99","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109339","6.5372","0.0009","8.6615","0.0012","23.493","0.003","90","","90","","90","","1330.2","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05167a","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Jiachang Gong; Shana J. Sturla","A Synthetic Nucleoside Probe that Discerns a DNA Adduct from Unmodified DNA","Journal of the American Chemical Society","2007","129","","4882","4883","10.1021/ja070688g","","","0.71073","MoKα","","0.0378","0.0336","","","0.0924","0.0969","","","","","","1.099","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109360","14.0875","0.0005","19.1557","0.0006","22.0078","0.0007","90","","90","","90","","5938.9","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H94 Ga N6 Nd O Si3 -","- C52 H94 Ga N6 Nd O Si3 -","- C208 H376 Ga4 N24 Nd4 O4 Si12 -","4","1","","Polly L. Arnold; Stephen T. Liddle; Jonathan McMaster; Cameron Jones; David P. Mills","A Lanthanide-Gallium Complex Stabilized by the N-Heterocyclic Carbene Group","Journal of the American Chemical Society","2007","129","","5360","5361","10.1021/ja0710858","","","0.71073","MoKα","","0.0291","0.0259","","","0.0619","0.0632","","","","","","1.009","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109387","15.2359","0.0014","15.2464","0.0014","50.847","0.005","90","","90","","90","","11811.4","1.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H54 O7 P2 Pt2 Re2 -","- C31 H54 O7 P2 Pt2 Re2 -","- C372 H648 O84 P24 Pt24 Re24 -","12","3","","Richard D. Adams; Burjor Captain; Mark D. Smith; Chad Beddie; Michael B. Hall","Unsaturated Platinum-Rhenium Cluster Complexes. Synthesis, Structures and Reactivity","Journal of the American Chemical Society","2007","129","","5981","5991","10.1021/ja070773o","","","0.71073","MoKα","","0.0853","0.0734","","","0.1747","0.1832","","","","","","1.057","","","","has coordinates","178839","2020-10-21","18:00:00",""
"4109429","6.6933","0.0013","21.217","0.004","26.837","0.005","90","","90","","90","","3811.2","1.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 N2 O10 -","- C41 H50 N2 O10 -","- C164 H200 N8 O40 -","4","1","","Scott T. Phillips; Matthew D. Shair","Syntheses of the Eastern Halves of Ritterazines B, F, G, and H, Leading to Reassignment of the 5,5-Spiroketal Stereochemistry of Ritterazines B and F","Journal of the American Chemical Society","2007","129","","6589","6598","10.1021/ja0705487","","","0.71073","MoKα","","0.1969","0.0398","","","0.0591","0.0776","","","","","","0.646","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109444","11.247","0.0003","32.831","0.0004","16.065","0.0004","90","","90","","90","","5932","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 N O4 Si -","- C34 H31 N O4 Si -","- C272 H248 N8 O32 Si8 -","8","2","","Masahiro Yamanaka; Junji Itoh; Kohei Fuchibe; Takahiko Akiyama","Chiral Brønsted Acid Catalyzed Enantioselective Mannich-Type Reaction","Journal of the American Chemical Society","2007","129","","6756","6764","10.1021/ja0684803","","","0.71073","MoKα","","0.0427","0.0379","","","0.1021","0.1052","","","","","","1.298","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109468","9.5196","0.0005","14.0844","0.0008","16.2632","0.0009","90","","90","","90","","2180.5","0.2","121","2","121","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O4 S -","- C24 H26 N2 O4 S -","- C96 H104 N8 O16 S4 -","4","1","","William L. Scott; Jacek G. Martynow; John C. Huffman; Martin J. O'Donnell","Solid-Phase Synthesis of Multiple Classes of Peptidomimetics from Versatile Resin-Bound Aldehyde Intermediates","Journal of the American Chemical Society","2007","129","","7077","7088","10.1021/ja069188y","","","0.71073","MoKα","","0.0331","0.0282","","","0.067","0.0692","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109499","11.5785","0.0007","12.1458","0.0007","24.5466","0.0013","90","","90","","90","","3452","0.3","193","1","193","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H18 F3 O3 P5 S -","- C7 H18 F3 O3 P5 S -","- C56 H144 F24 O24 P40 S8 -","8","2","","C. Adam Dyker; Susanne D. Riegel; Neil Burford; Michael D. Lumsden; Andreas Decken","Cyclotetraphosphinophosphonium Ions: Synthesis, Structures, and Pseudorotation","Journal of the American Chemical Society","2007","129","","7464","7474","10.1021/ja070764f","","x-ray","0.71073","MoKα","","0.0538","0.0412","","","0.1018","0.1104","","","","","","1.061","","","","has coordinates","178840","2020-10-21","18:00:00",""
"4109503","5.4527","0.0009","12.754","0.002","23.021","0.003","90","","90","","90","","1601","0.4","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C72 H80 N8 O16 -","4","1","","Dushyant Mukkamala; Yong Zhang; Eric Oldfield","A Solid State 13C NMR, Crystallographic, and Quantum Chemical Investigation of Phenylalanine and Tyrosine Residues in Dipeptides and Proteins","Journal of the American Chemical Society","2007","129","","7385","7392","10.1021/ja071227y","","","0.71073","MoKα","","0.0981","0.0526","","","0.1109","0.1317","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109504","8.5224","0.0002","8.8972","0.0002","22.2197","0.0005","90","","90","","90","","1684.82","0.07","120","0.1","120","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","2004uv08sd01","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","1.5418","CuKα","","0.0375","0.037","","","0.0956","0.0966","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109508","7.911","0.005","10.919","0.005","20.202","0.005","90","0.005","90","0.005","90","0.005","1745.1","1.4","120","2","120","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","0.71069","MoKα","","0.0389","0.0341","","","0.0894","0.0938","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109515","11.5577","0.0015","13.9554","0.0013","14.1742","0.0014","90","","90","","90","","2286.2","0.4","293","","293","","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Sergio Abad; Francisco Boscá; Luis R. Domingo; Salvador Gil; Uwe Pischel; Miguel A. Miranda","Triplet Reactivity and Regio-/Stereoselectivity in the Macrocyclization of Diastereomeric Ketoprofen-Quencher Conjugates via Remote Hydrogen Abstractions","Journal of the American Chemical Society","2007","129","","7407","7420","10.1021/ja0712827","","x-ray","1.54184","Cukα","","0.0729","0.0638","","","0.2103","0.2262","","","","","","1.19","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109523","12.583","0.004","16.903","0.006","19.953","0.007","90","","90","","90","","4244","3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 N4 O11 Si -","- C42 H60 N4 O11 Si -","- C168 H240 N16 O44 Si4 -","4","1","","Francis Dhoro; Tor E. Kristensen; Vegar Stockmann; Glenn P. A. Yap; Marcus A. Tius","Asymmetric Amine-Intercepted Nazarov Cyclization","Journal of the American Chemical Society","2007","129","","7256","7257","10.1021/ja0718873","","","0.71073","MoKα","","0.0757","0.0495","","","0.1046","0.114","","","","","","1.034","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109537","9.0897","0.0013","20.487","0.003","43.135","0.006","90","","90","","90","","8033","2","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","jontl04","Ni(dippe)(CH3CNBEt3)","","- C22 H50 B N Ni P2 -","- C22 H50 B N Ni P2 -","- C264 H600 B12 N12 Ni12 P24 -","12","3","","Tülay A. Ateşin; Ting Li; Sébastien Lachaize; William W. Brennessel; Juventino J. García; William D. Jones","Experimental and Theoretical Examination of C-CN and C-H Bond Activations of Acetonitrile Using Zerovalent Nickel","Journal of the American Chemical Society","2007","129","","7562","7569","10.1021/ja0707153","","","0.71073","MoKα","","0.0492","0.0397","","","0.0814","0.0843","","","","","","1.074","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109545","15.5328","0.0006","15.6066","0.0006","24.5182","0.0008","90","","90","","90","","5943.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 N4 O2 -","- C28 H50 N4 O2 -","- C224 H400 N32 O16 -","8","2","","Haifeng Du; Weicheng Yuan; Baoguo Zhao; Yian Shi","A Pd(0)-Catalyzed Diamination of Terminal Olefins at Allylic and Homoallylic Carbons via Formal C-H Activation under Solvent-Free Conditions","Journal of the American Chemical Society","2007","129","","7496","7497","10.1021/ja072080d","","","0.71073","MoKα","","0.0966","0.0542","","","0.1176","0.1358","","","","","","1.026","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109555","8.42","0.0005","10.9803","0.0007","15.4279","0.0009","90","","90","","90","","1426.37","0.15","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O6 -","- C14 H20 O6 -","- C56 H80 O24 -","4","1","","Shuangyi Wan; Hakan Gunaydin; K. N. Houk; Paul E. Floreancig","An Experimental and Computational Approach to Defining Structure/Reactivity Relationships for Intramolecular Addition Reactions to Bicyclic Epoxonium Ions","Journal of the American Chemical Society","2007","129","","7915","7923","10.1021/ja0709674","","","0.71073","MoKα","","0.0645","0.058","","","0.1366","0.1409","","","","","","1.311","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109556","10.2817","0.0018","10.6501","0.0018","11.88","0.002","90","","90","","90","","1300.9","0.4","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C52 H72 O24 -","4","1","","Shuangyi Wan; Hakan Gunaydin; K. N. Houk; Paul E. Floreancig","An Experimental and Computational Approach to Defining Structure/Reactivity Relationships for Intramolecular Addition Reactions to Bicyclic Epoxonium Ions","Journal of the American Chemical Society","2007","129","","7915","7923","10.1021/ja0709674","","","0.71073","MoKα","","0.117","0.0566","","","0.1197","0.1395","","","","","","0.893","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109590","5.3536","0.0004","9.2517","0.0007","22.0423","0.0016","90","","90","","90","","1091.75","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br N O3 -","- C11 H10 Br N O3 -","- C44 H40 Br4 N4 O12 -","4","1","","Tamara L. Church; Christopher M. Byrne; Emil B. Lobkovsky; Geoffrey W. Coates","A New Multicomponent Reaction Catalyzed by a [Lewis Acid]+[Co(CO)4]- Catalyst: Stereospecific Synthesis of 1,3-Oxazinane-2,4-diones from Epoxides, Isocyanates, and CO","Journal of the American Chemical Society","2007","129","","8156","8162","10.1021/ja069065d","","","0.71073","MoKα","","0.0397","0.0277","","","0.0578","0.0611","","","","","","0.964","","","","has coordinates","178841","2020-10-21","18:00:00",""
"4109653","11.295","0.0007","14.0515","0.0009","19.2277","0.0012","90","","90","","90","","3051.7","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","jonag04","Ni(dippe)(Ph)(CCPh), 2","","- C32 H50 P2 Pt -","- C32 H50 P2 Pt -","- C128 H200 P8 Pt4 -","4","1","","Ahmet Gunay; William D. Jones","Cleavage of Carbon-Carbon Bonds of Diphenylacetylene and Its Derivatives via Photolysis of Pt Complexes: Tuning the C-C Bond Formation Energy toward Selective C-C Bond Activation","Journal of the American Chemical Society","2007","129","","8729","8735","10.1021/ja071698k","","","0.71073","MoKα","","0.0137","0.0136","","","0.0343","0.0343","","","","","","1.071","","","","has coordinates","178842","2020-10-21","18:00:00",""
"4109715","8.4588","0.0017","14.389","0.003","21.438","0.004","90","","90","","90","","2609.3","0.9","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H50 Li2 N4 -","- C22 H50 Li2 N4 -","- C88 H200 Li8 N16 -","4","1","","Carsten Strohmann; Viktoria H. Gessner","Crystal Structures of the Chiral Diamine (R,R)-TMCDA with the Commonly Used Alkyllithium Bases Methyllithium, iso-Propyllithium, and sec-Butyllithium","Journal of the American Chemical Society","2007","129","","8952","8953","10.1021/ja072970t","","","0.71073","MoKα","","0.1029","0.0567","","","0.1258","0.1428","","","","","","1.037","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109717","7.9625","0.0014","13.777","0.003","14.599","0.003","90","","90","","90","","1601.5","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H31 Li N2 -","- C14 H31 Li N2 -","- C56 H124 Li4 N8 -","4","1","","Carsten Strohmann; Viktoria H. Gessner","Crystal Structures of the Chiral Diamine (R,R)-TMCDA with the Commonly Used Alkyllithium Bases Methyllithium, iso-Propyllithium, and sec-Butyllithium","Journal of the American Chemical Society","2007","129","","8952","8953","10.1021/ja072970t","","","0.71073","MoKα","","0.0958","0.0514","","","0.0917","0.101","","","","","","1.072","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109748","13.305","0.006","13.785","0.006","19.459","0.008","90","","90","","90","","3569","3","103.15","","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 B Br Mg N2 O2 -","- C34 H52 B Br Mg N2 O2 -","- C136 H208 B4 Br4 Mg4 N8 O8 -","4","1","","Makoto Yamashita; Yuta Suzuki; Yasutomo Segawa; Kyoko Nozaki","Synthesis, Structure of Borylmagnesium, and Its Reaction with Benzaldehyde to Form Benzoylborane","Journal of the American Chemical Society","2007","129","","9570","9571","10.1021/ja073037t","","","0.7107","MoKα","","0.0892","0.0741","","","0.1301","0.1365","","","","","","1.142","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109752","6.446","0.002","9.071","0.003","29.058","0.009","90","","90","","90","","1699.1","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br O2 -","- C20 H19 Br O2 -","- C80 H76 Br4 O8 -","4","1","","Joshua N. Payette; Hisashi Yamamoto","Regioselective and Asymmetric Diels-Alder Reaction of 1- and 2-Substituted Cyclopentadienes Catalyzed by a Brønsted Acid Activated Chiral Oxazaborolidine","Journal of the American Chemical Society","2007","129","","9536","9537","10.1021/ja0735958","","","0.71073","MoKα","","0.0641","0.0444","","","0.0779","0.084","","","","","","0.921","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109753","6.5293","0.0016","8.022","0.002","27.132","0.007","90","","90","","90","","1421.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Joshua N. Payette; Hisashi Yamamoto","Regioselective and Asymmetric Diels-Alder Reaction of 1- and 2-Substituted Cyclopentadienes Catalyzed by a Brønsted Acid Activated Chiral Oxazaborolidine","Journal of the American Chemical Society","2007","129","","9536","9537","10.1021/ja0735958","","","0.71073","MoKα","","0.0439","0.0319","","","0.0574","0.0592","","","","","","0.886","","","","has coordinates","178843","2020-10-21","18:00:00",""
"4109767","6.9","0.0006","10.5226","0.001","34.483","0.003","90","","90","","90","","2503.7","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C120 H144 O24 -","8","2","","Arunkumar Natarajan; C. K. Tsai; Saeed I. Khan; Patrick McCarren; K. N. Houk; Miguel A. Garcia-Garibay","The Photoarrangement of α-Santonin is a Single-Crystal-to-Single-Crystal Reaction: A Long Kept Secret in Solid-State Organic Chemistry Revealed","Journal of the American Chemical Society","2007","129","","9846","9847","10.1021/ja073189o","","","0.71073","MoKα","","0.0361","0.0324","","","0.0811","0.0832","","","","","","1.136","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4109768","6.9317","0.0007","10.8194","0.001","34.414","0.003","90","","90","","90","","2580.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C120 H144 O24 -","8","2","","Arunkumar Natarajan; C. K. Tsai; Saeed I. Khan; Patrick McCarren; K. N. Houk; Miguel A. Garcia-Garibay","The Photoarrangement of α-Santonin is a Single-Crystal-to-Single-Crystal Reaction: A Long Kept Secret in Solid-State Organic Chemistry Revealed","Journal of the American Chemical Society","2007","129","","9846","9847","10.1021/ja073189o","","","0.71073","MoKα","","0.1592","0.0871","","","0.1902","0.22","","","","","","1.228","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109770","7.792","0.003","14.885","0.005","25.707","0.009","90","","90","","90","","2981.6","1.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O8 -","- C34 H44 O8 -","- C136 H176 O32 -","4","1","","Arunkumar Natarajan; C. K. Tsai; Saeed I. Khan; Patrick McCarren; K. N. Houk; Miguel A. Garcia-Garibay","The Photoarrangement of α-Santonin is a Single-Crystal-to-Single-Crystal Reaction: A Long Kept Secret in Solid-State Organic Chemistry Revealed","Journal of the American Chemical Society","2007","129","","9846","9847","10.1021/ja073189o","","","0.71073","MoKα","","0.074","0.0561","","","0.1395","0.1524","","","","","","1.039","","","","has coordinates,has disorder","178843","2020-10-21","18:00:00",""
"4109806","11.2082","0.0011","17.1248","0.0016","27.882","0.003","90","","90","","90","","5351.6","0.9","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Y3N@C80adduct.0.5benzene.0.5chloroform","","","- C100.5 H17.5 Cl1.5 N O4 Y3 -","- C100.5 H17.5 Cl1.5 N O4 Y3 -","- C402 H70 Cl6 N4 O16 Y12 -","4","1","","Olena Lukoyanova; Claudia M. Cardona; José Rivera; Leyda Z. Lugo-Morales; Christopher J. Chancellor; Marilyn M. Olmstead; Antonio Rodríguez-Fortea; Josep M. Poblet; Alan L. Balch; Luis Echegoyen","""Open Rather than Closed"" Malonate Methano-Fullerene Derivatives. The Formation of Methanofulleroid Adducts of Y3N@C80","Journal of the American Chemical Society","2007","129","","10423","10430","10.1021/ja071733n","","","0.71073","MoKα","","0.1508","0.1013","","","0.262","0.3006","","","","","","1.143","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4109821","7.1324","0.0007","17.6776","0.0017","18.2915","0.0017","90","","90","","90","","2306.3","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[bis(3,6-di-tert-butyl-catechalato)(1-methylimidazole))copper(II)]","","- C44 H64 Cu2 N8 O4 -","- C44 H64 Cu2 N8 O4 -","- C88 H128 Cu4 N16 O8 -","2","0.5","","Victor I. Ovcharenko; Elena V. Gorelik; Sergey V. Fokin; Galina V. Romanenko; Vladimir N. Ikorskii; Anna V. Krashilina; Vladimir K. Cherkasov; Gleb A. Abakumov","Ligand Effects on the Ferro- to Antiferromagnetic Exchange Ratio in Bis(o-Semiquinonato)copper(II)","Journal of the American Chemical Society","2007","129","","10512","10521","10.1021/ja072463b","","","0.71073","MoKα","","0.0356","0.0328","","","0.0824","0.0847","","","","","","0.955","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109848","11.813","0.002","18.933","0.004","46.577","0.009","90","","90","","90","","10417","3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42.67 K N10 O U -","- C29 H42.6667 K N10 O U -","- C348 H512 K12 N120 O12 U12 -","12","3","","Stosh A. Kozimor; Bart M. Bartlett; Jeffrey D. Rinehart; Jeffrey R. Long","Magnetic Exchange Coupling in Chloride-Bridged 5f-3d Heterometallic Complexes Generated via Insertion into a Uranium(IV) Dimethylpyrazolate Dimer","Journal of the American Chemical Society","2007","129","","10672","10674","10.1021/ja0725044","","","0.71073","MoKα","","0.1046","0.0697","","","0.1252","0.1333","","","","","","1.11","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109856","11.2906","0.0008","18.915","0.0012","26.6677","0.0017","90","","90","","90","","5695.2","0.7","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 2","","","- C60 H74 Cd2 I2 -","- C60 H74 Cd2 I2 -","- C240 H296 Cd8 I8 -","4","1","","Zhongliang Zhu; Marcin Brynda; Robert J. Wright; Roland C. Fischer; W. Alexander Merrill; Eric Rivard; Robert Wolf; James C. Fettinger; Marilyn M. Olmstead; Philip P. Power","Synthesis and Characterization of the Homologous M-M Bonded Series Ar'MMAr' (M = Zn, Cd, or Hg; Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2) and Related Arylmetal Halides and Hydride Species","Journal of the American Chemical Society","2007","129","","10847","10857","10.1021/ja072682x","","","0.71073","MoKα","","0.059","0.0407","","","0.0804","0.0879","","","","","","1.103","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109865","7.7644","0.0004","8.5412","0.0004","29.7831","0.0013","90","","90","","90","","1975.13","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 O6 W -","- C18 H18 Cl2 O6 W -","- C72 H72 Cl8 O24 W4 -","4","1","","Andrew B. Jackson; Cynthia K. Schauer; Peter S. White; Joseph L. Templeton","Tungsten(II) Monocarbonyl Bis(acetylacetonate): A Fourteen-Electron Docking Site for η2Four-Electron Donor Ligands","Journal of the American Chemical Society","2007","129","","10628","10629","10.1021/ja0728270","","","0.71073","MoKα","","0.025","0.0219","","","0.0423","0.0433","","","","","","1.039","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109866","8.9457","0.0001","13.5475","0.0002","26.6866","0.0004","90","","90","","90","","3234.2","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O6 W -","- C14 H20 O6 W -","- C112 H160 O48 W8 -","8","2","","Andrew B. Jackson; Cynthia K. Schauer; Peter S. White; Joseph L. Templeton","Tungsten(II) Monocarbonyl Bis(acetylacetonate): A Fourteen-Electron Docking Site for η2Four-Electron Donor Ligands","Journal of the American Chemical Society","2007","129","","10628","10629","10.1021/ja0728270","","","0.71073","MoKα","","0.0516","0.0437","","","0.0898","0.0929","","","","","","1.107","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109869","6.6841","0.0006","16.1119","0.0016","29.872","0.003","90","","90","","90","","3217","0.5","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O11 -","- C32 H50 O11 -","- C128 H200 O44 -","4","1","","Amos B. Smith; Dongjoo Lee","Total Synthesis of (+)-Tedanolide","Journal of the American Chemical Society","2007","129","","10957","10962","10.1021/ja073329u","","","0.71073","MoKα","","0.1126","0.065","","","0.142","0.1779","","","","","","1.062","","","","has coordinates","178844","2020-10-21","18:00:00",""
"4109895","7.9203","0.0002","12.4358","0.0006","13.6015","0.0006","90","","90","","90","","1339.68","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Mohammad N. Noshi; Ahmad El-Awa; Eduardo Torres; Philip L. Fuchs","Conversion of Cyclic Vinyl Sulfones to Transposed Vinyl Phosphonates","Journal of the American Chemical Society","2007","129","","11242","11247","10.1021/ja072890p","","","0.71073","Mo-Kα","","0.035","0.031","","","0.076","0.078","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4109908","5.5649","0.0011","14.526","0.003","27.408","0.006","90","","90","","90","","2215.5","0.8","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 Br N2 O2 -","- C28 H25 Br N2 O2 -","- C112 H100 Br4 N8 O8 -","4","1","","Bryan J. Cowen; Scott J. Miller","Enantioselective [3 + 2]-Cycloadditions Catalyzed by a Protected, Multifunctional Phosphine-Containing α-Amino Acid","Journal of the American Chemical Society","2007","129","","10988","10989","10.1021/ja0734243","","","0.71073","MoKα","","0.1273","0.0612","","","0.106","0.1294","","","","","","1.013","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109913","12.452","0.002","16.517","0.003","18.408","0.003","90","","90","","90","","3786","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H59 B F4 O2 Os P2 -","- C34 H59 B F4 O2 Os P2 -","- C136 H236 B4 F16 O8 Os4 P8 -","4","1","","María L. Buil; Miguel A. Esteruelas; Karin Garcés; Montserrat Oliván; Enrique Oñate","Understanding the Formation of N-H Tautomers from α-Substituted Pyridines: Tautomerization of 2-Ethylpyridine Promoted by Osmium","Journal of the American Chemical Society","2007","129","","10998","10999","10.1021/ja073673r","","","0.71073","MoKα","","0.0843","0.065","","","0.1179","0.1246","","","","","","1.059","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109933","6.0205","0.0007","16.6705","0.0018","17.5656","0.0019","90","","90","","90","","1763","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C88 H80 O8 -","4","1","","Xuefeng Jiang; Shengming Ma","trans-RhCl(CO)(PPh3)2-Catalyzed Monomeric and Dimeric Cycloisomerization of Propargylic 2,3-Dienoates. Establishment of α,β-Unsaturated δ-Lactone Rings by Cyclometallation","Journal of the American Chemical Society","2007","129","","11600","11607","10.1021/ja073582u","","","0.71073","MoKα","","0.0629","0.0592","","","0.1473","0.15","","","","","","1.152","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4109955","14.797","0.004","14.844","0.004","32.462","0.008","90","","90","","90","","7130","3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H97 N6 Ni O12 -","- C80 H97 N6 Ni O12 -","- C320 H388 N24 Ni4 O48 -","4","1","","Zhenzhen Dong; Glenn P. A. Yap; Joseph M. Fox","trans-Cyclohexane-1,2-diamine Is a Weak Director of Absolute Helicity in Chiral Nickel-Salen Complexes","Journal of the American Chemical Society","2007","129","","11850","11853","10.1021/ja073900p","","","0.71073","MoKα","","0.0695","0.0587","","","0.1485","0.1587","","","","","","1.054","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109969","16.5588","0.0009","18.7054","0.001","19.5958","0.001","90","","90","","90","","6069.6","0.6","141","2","141","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 I N U -","- C32 H47 I N U -","- C256 H376 I8 N8 U8 -","8","2","","Christopher R. Graves; Brian L. Scott; David E. Morris; Jaqueline L. Kiplinger","Facile Access to Pentavalent Uranium Organometallics: One-Electron Oxidation of Uranium(IV) Imido Complexes with Copper(I) Salts","Journal of the American Chemical Society","2007","129","","11914","11915","10.1021/ja074889w","","","0.71073","MoKα","","0.049","0.0373","","","0.0662","0.0708","","","","","","1.023","","","","has coordinates","178845","2020-10-21","18:00:00",""
"4109999","7.43","0.002","8.883","0.002","26.604","0.007","90","","90","","90","","1755.9","0.8","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O2 -","- C21 H32 O2 -","- C84 H128 O8 -","4","1","","Arnab Roy; Frank G. Roberts; P. Ross Wilderman; Ke Zhou; Reuben J. Peters; Robert M. Coates","16-Aza-ent-beyerane and 16-Aza-ent-trachylobane: Potent Mechanism-Based Inhibitors of Recombinantent-Kaurene Synthase from Arabidopsis thaliana","Journal of the American Chemical Society","2007","129","","12453","12460","10.1021/ja072447e","","","0.71073","MoKα","","0.059","0.0487","","","0.1307","0.1401","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110023","5.824","0.0006","12.8616","0.0012","20.943","0.002","90","","90","","90","","1568.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","07159a","","","- C16 H20 Cl N O2 -","- C16 H20 Cl N O2 -","- C64 H80 Cl4 N4 O8 -","4","1","","Barry M. Trost; Steven M. Silverman; James P. Stambuli","Palladium-Catalyzed Asymmetric [3+2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2007","129","","12398","12399","10.1021/ja0753389","","","0.71073","MoKα","","0.0414","0.0335","","","0.0729","0.0765","","","","","","1.061","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110031","12.3979","0.0016","21.067","0.003","39.689","0.005","90","","90","","90","","10366","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H74 B2 N4 -","- C54 H74 B2 N4 -","- C432 H592 B16 N32 -","8","2","","Yuzhong Wang; Brandon Quillian; Pingrong Wei; Chaitanya S. Wannere; Yaoming Xie; R. Bruce King; Henry F. Schaefer; Paul V. R. Schleyer; Gregory H. Robinson","A Stable Neutral Diborene Containing a BB Double Bond","Journal of the American Chemical Society","2007","129","","12412","12413","10.1021/ja075932i","","","0.71073","MoKα","","0.3218","0.0792","","","0.1176","0.1861","","","","","","1.016","","","","has coordinates,has disorder","178871","2020-10-21","18:00:00",""
"4110040","13.0998","0.0008","17.614","0.001","19.082","0.001","90","","90","","90","","4403","0.4","168.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 Au2 Cl2 O6 P2 -","- C42.25 H41 Au2 Cl2 O6.5 P2 -","- C169 H164 Au8 Cl8 O26 P8 -","4","1","","Asa D. Melhado; Marco Luparia; F. Dean Toste","Au(I)-Catalyzed Enantioselective 1,3-Dipolar Cycloadditions of Münchnones with Electron-Deficient Alkenes","Journal of the American Chemical Society","2007","129","","12638","12639","10.1021/ja074824t","","","0.7107","MoKα","","0.0392","0.0298","","0.0391","","0.0369","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110041","5.2609","0.0008","12.219","0.002","36.953","0.005","90","","90","","90","","2375.4","0.6","154.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N3 O3 -","- C28 H25 N3 O3 -","- C112 H100 N12 O12 -","4","1","","Asa D. Melhado; Marco Luparia; F. Dean Toste","Au(I)-Catalyzed Enantioselective 1,3-Dipolar Cycloadditions of Münchnones with Electron-Deficient Alkenes","Journal of the American Chemical Society","2007","129","","12638","12639","10.1021/ja074824t","","","0.7107","MoKα","","0.0662","0.0532","","0.0639","","0.0621","","","","","","2.473","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110053","6.276","0.0012","13.602","0.003","21.238","0.004","90","","90","","90","","1813","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C92 H80 N8 O8 -","4","1","","Yang S. Tran; Ohyun Kwon","Phosphine-Catalyzed [4 + 2] Annulation: Synthesis of Cyclohexenes","Journal of the American Chemical Society","2007","129","","12632","12633","10.1021/ja0752181","","","0.71073","MoKα","","0.0377","0.0293","","","0.0598","0.0636","","","","","","1.006","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110080","7.2668","0.0001","13.4135","0.0003","23.4946","0.0004","90","","90","","90","","2290.09","0.07","100","","100","","","","","","","","CH2Cl2/AcOEt","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Cl F4 N2 Rh -","- C26 H26 Cl F4 N2 Rh -","- C104 H104 Cl4 F16 N8 Rh4 -","4","1","","Alois Fürstner; Manuel Alcarazo; Helga Krause; Christian W. Lehmann","Effective Modulation of the Donor Properties of N-Heterocyclic Carbene Ligands by ""Through-Space"" Communication within a Planar Chiral Scaffold","Journal of the American Chemical Society","2007","129","","12676","12677","10.1021/ja076028t","","","0.71073","MoKα","","0.0266","0.0244","","","0.0727","0.0739","","","","","","1.166","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110088","5.1605","0.0013","7.972","0.002","29.258","0.007","90","","90","","90","","1203.7","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O2 -","- C13 H14 Br N O2 -","- C52 H56 Br4 N4 O8 -","4","1","","Eda Canales; E. J. Corey","Highly Enantioselective [2+2]-Cycloaddition Reactions Catalyzed by a Chiral Aluminum Bromide Complex","Journal of the American Chemical Society","2007","129","","12686","12687","10.1021/ja0765262","","","0.71073","MoKα","","0.0438","0.0423","","","0.0775","0.078","","","","","","1.025","","","","has coordinates","178871","2020-10-21","18:00:00",""
"4110116","9.2609","0.0012","10.9845","0.0014","15.0837","0.0019","90","","90","","90","","1534.4","0.3","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","sulfonamide2","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Wei Zeng; Sherry R. Chemler","Copper(II)-Catalyzed Enantioselective Intramolecular Carboamination of Alkenes","Journal of the American Chemical Society","2007","129","","12948","12949","10.1021/ja0762240","","x-ray","0.71073","MoKα","","0.0249","0.0245","","","0.0703","0.0708","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110118","6.2677","0.0002","11.085","0.0004","34.9451","0.0015","90","","90","","90","","2427.9","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br2 O5 -","- C27 H24 Br2 O5 -","- C108 H96 Br8 O20 -","4","1","","Axel B. Machotta; Bernd F. Straub; Martin Oestreich","Oxygen Donor-Mediated Equilibration of Diastereomeric Alkene-Palladium(II) Intermediates in Enantioselective Desymmetrizing Heck Cyclizations","Journal of the American Chemical Society","2007","129","","13455","13463","10.1021/ja072571y","","","0.71073","MoKα","","0.0871","0.04","","","0.0506","0.0588","","","","","","0.882","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110141","6.8616","0.0008","7.6589","0.0008","34.632","0.004","90","","90","","90","","1820","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","MF-24-57 1-methyl-2-(4-pyridyl)benzimidazole, F5-benzaldehyde oxime","","- C20 H13 F5 N4 O -","- C20 H13 F5 N4 O -","- C80 H52 F20 N16 O4 -","4","1","","Christer B. Aakeröy; Meg Fasulo; Nate Schultheiss; John Desper; Curtis Moore","Structural Competition between Hydrogen Bonds and Halogen Bonds","Journal of the American Chemical Society","2007","129","","13772","13773","10.1021/ja073201c","","","0.71073","MoKα","","0.071","0.0482","","","0.1104","0.1212","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110142","6.8554","0.0003","7.9485","0.0004","34.9508","0.0015","90","","90","","90","","1904.47","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","MF-24-58 1-methyl-2-(4-pyridyl)benzimidazole, 4-Br-F4-PhCH=NOH","","- C20 H13 Br F4 N4 O -","- C20 H13 Br F4 N4 O -","- C80 H52 Br4 F16 N16 O4 -","4","1","","Christer B. Aakeröy; Meg Fasulo; Nate Schultheiss; John Desper; Curtis Moore","Structural Competition between Hydrogen Bonds and Halogen Bonds","Journal of the American Chemical Society","2007","129","","13772","13773","10.1021/ja073201c","","","0.71073","MoKα","","0.0476","0.0317","","","0.0658","0.0709","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110171","9.9782","0.0009","13.6465","0.0013","18.8212","0.0017","90","","90","","90","","2562.8","0.4","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O6 S Si -","- C24 H32 N2 O6 S Si -","- C96 H128 N8 O24 S4 Si4 -","4","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71069","MoKα","","0.0402","0.037","","","0.0894","0.0929","","","","","","1.105","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110173","10.4164","0.0008","10.692","0.0008","25.187","0.002","90","","90","","90","","2805.1","0.4","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N3 O6 S Si -","- C25 H31 N3 O6 S Si -","- C100 H124 N12 O24 S4 Si4 -","4","1","","Erin M. Forbeck; Cory D. Evans; John A. Gilleran; Pixu Li; Madeleine M. Joullié","A Regio- and Stereoselective Approach to Quaternary Centers from Chiral Trisubstituted Aziridines","Journal of the American Chemical Society","2007","129","","14463","14469","10.1021/ja0758077","","","0.71069","MoKα","","0.0426","0.0368","","","0.0754","0.0796","","","","","","1.09","","","","has coordinates","178872","2020-10-21","18:00:00",""
"4110213","7.4439","0.0005","11.6454","0.0007","21.0703","0.0013","90","","90","","90","","1826.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","guanidinium sulfonate clathrate","","","- C16 H23 N3 O3 S -","- C16 H23 N3 O3 S -","- C64 H92 N12 O12 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0966","0.067","","","0.1813","0.2072","","","","","","0.946","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110215","11.7808","0.0017","22.579","0.003","7.5023","0.001","90","","90","","90","","1995.6","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Br N3 O4 S -","- C16 H22 Br N3 O4 S -","- C64 H88 Br4 N12 O16 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0673","0.044","","","0.0796","0.0855","","","","","","1.02","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110216","7.7431","0.0004","11.2471","0.0006","19.8076","0.0012","90","","90","","90","","1724.99","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","guanidinium sulfonate chlathrate","","","- C14 H18 Br N3 O4 S -","- C14 H18 Br N3 O4 S -","- C56 H72 Br4 N12 O16 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0324","0.0274","","","0.0665","0.0684","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110218","18.52","0.003","22.903","0.004","7.7707","0.0012","90","","90","","90","","3296","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Br2 N6 O6 S2 -","- C24 H20 Br2 N6 O6 S2 -","- C96 H80 Br8 N24 O24 S8 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0495","0.0382","","","0.0906","0.0944","","","","","","1.054","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110221","7.4688","0.0015","12.316","0.002","20.948","0.004","90","","90","","90","","1926.9","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","guanidinium sulfonate clathrate","","","- C15 H20 Cl N5 O5 S -","- C15 H20 Cl N5 O5 S -","- C60 H80 Cl4 N20 O20 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0552","0.0402","","","0.0823","0.0858","","","","","","0.918","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110226","7.5332","0.0003","11.9412","0.0005","20.206","0.0009","90","","90","","90","","1817.64","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","guanidinium sulfonate clathrate","","","- C15 H21 F N4 O3 S -","- C15 H21 F N4 O3 S -","- C60 H84 F4 N16 O12 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0343","0.0299","","","0.0774","0.0794","","","","","","1.06","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110228","7.5106","0.0004","11.8486","0.0007","22.9872","0.0013","90","","90","","90","","2045.6","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","guanidinium sulfonate clathrate","","","- C16 H22 I N3 O4 S -","- C16 H22 I N3 O4 S -","- C64 H88 I4 N12 O16 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0654","0.0423","","","0.11","0.1212","","","","","","1.087","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110234","7.4622","0.0004","11.8703","0.0006","22.1066","0.0011","90","","90","","90","","1958.17","0.17","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","guanidinium monosulfonate clathrate","","","- C17 H25 N3 O4 S -","- C17 H25 N3 O4 S -","- C68 H100 N12 O16 S4 -","4","1","","Matthew J. Horner; K. Travis Holman; Michael D. Ward","Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders","Journal of the American Chemical Society","2007","129","","14640","14660","10.1021/ja0741574","","","0.71073","MoKα","","0.0483","0.0402","","","0.1104","0.1155","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110243","8.4847","0.0004","13.9643","0.0007","16.1353","0.0008","90","","90","","90","","1911.76","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","06275","","","- C23 H21 N O S -","- C23 H21 N O S -","- C92 H84 N4 O4 S4 -","4","1","","Barry M. Trost; Yong Zhang","Mo-Catalyzed Regio-, Diastereo-, and Enantioselective Allylic Alkylation of 3-Aryloxindoles","Journal of the American Chemical Society","2007","129","","14548","14549","10.1021/ja0755717","","","0.71073","MoKα","","0.0423","0.0367","","","0.0953","0.1003","","","","","","1.019","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110262","10.166","0.002","11.161","0.002","19.386","0.004","90","","90","","90","","2199.6","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C100 H116 N4 O24 -","4","1","","K. C. Nicolaou; Yefeng Tang; Jianhua Wang; Antonia F. Stepan; Ang Li; Ana Montero","Total Synthesis and Antibacterial Properties of Carbaplatensimycin","Journal of the American Chemical Society","2007","129","","14850","14851","10.1021/ja076126e","","","0.71073","MoKα","","0.073","0.053","","","0.114","0.1232","","","","","","1.055","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110265","5.955","0.003","11.936","0.007","27.882","0.015","90","","90","","90","","1981.8","1.9","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O -","- C22 H20 Br N O -","- C88 H80 Br4 N4 O4 -","4","1","","Scott E. Denmark; Tyler W. Wilson; Matthew T. Burk; John R. Heemstra","Enantioselective Construction of Quaternary Stereogenic Carbons by the Lewis Base Catalyzed Additions of Silyl Ketene Imines to Aldehydes","Journal of the American Chemical Society","2007","129","","14864","14865","10.1021/ja077134y","","","0.71073","MoKα","","0.0701","0.035","","","0.0642","0.0702","","","","","","0.894","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4110269","12.722","0.0015","13.0859","0.0015","14.9523","0.0017","90","","90","","90","","2489.2","0.5","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O3 -","- C11 H20 O3 -","- C88 H160 O24 -","8","2","","Amos B. Smith; Kallol Basu; Todd Bosanac","Total Synthesis of (-)-Okilactomycin","Journal of the American Chemical Society","2007","129","","14872","14874","10.1021/ja077569l","","","0.71069","MoKα","","0.0552","0.0472","","","0.1189","0.1268","","","","","","1.044","","","","has coordinates,has disorder","178873","2020-10-21","18:00:00",""
"4110270","10.8093","0.0009","11.143","0.001","20.0215","0.0019","90","","90","","90","","2411.6","0.4","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 I O4 -","- C24 H37 I O4 -","- C96 H148 I4 O16 -","4","1","","Amos B. Smith; Kallol Basu; Todd Bosanac","Total Synthesis of (-)-Okilactomycin","Journal of the American Chemical Society","2007","129","","14872","14874","10.1021/ja077569l","","","0.71069","MoKα","","0.0359","0.0332","","","0.0746","0.0778","","","","","","1.063","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110277","6.8531","0.0004","8.8684","0.0005","15.2047","0.0008","90","","90","","90","","924.08","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl N3 O3 -","- C6 H12 Cl N3 O3 -","- C24 H48 Cl4 N12 O12 -","4","1","","Loren B. Andreas; Anil K. Mehta; Manish A. Mehta","Determination of Global Structure from Distance and Orientation Constraints in Biological Solids Using Solid-State NMR Spectroscopy","Journal of the American Chemical Society","2007","129","","15233","15239","10.1021/ja074789q","","","0.71073","MoKα","","0.0229","0.0228","","","0.0601","0.0602","","","","","","1.105","","","","has coordinates","178873","2020-10-21","18:00:00",""
"4110308","6.4191","0.0008","12.2108","0.0016","27.39","0.004","90","","90","","90","","2146.9","0.5","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O5 -","- C25 H26 O5 -","- C100 H104 O20 -","4","1","","Luca Salvi; Sang-Jin Jeon; Ethan L. Fisher; Patrick J. Carroll; Patrick J. Walsh","Catalytic Asymmetric Generation of (Z)-Disubstituted Allylic Alcohols","Journal of the American Chemical Society","2007","129","","16119","16125","10.1021/ja0762285","","","0.71073","MoKα","","0.0693","0.0501","","","0.1049","0.1225","","","","","","1.119","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110325","7.927","0.0003","13.6459","0.0005","19.4939","0.0008","90","","90","","90","","2108.68","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 O6 -","- C19 H36 O6 -","- C76 H144 O24 -","4","1","","Andrew K. Dilger; Vijay Gopalsamuthiram; Steven D. Burke","A Two-Directional Approach to a (-)-Dictyostatin C11-C23 Segment: Development of a Highly Diastereoselective, Kinetically-Controlled Meerwein-Ponndorf-Verley Reduction","Journal of the American Chemical Society","2007","129","","16273","16277","10.1021/ja077336u","","","0.71073","Mo-Kα","","0.0308","0.0296","","","0.0784","0.0801","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110341","12.9803","0.0005","18.2873","0.0007","23.046","0.0008","90","","90","","90","","5470.5","0.4","152","2","152","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Ni(P(Ph)2N(Ph)2)2(CH3CN)](BF4)2","6a","","- C58 H59 B2 F8 N5 Ni P4 -","- C58 H59 B2 F8 N5 Ni P4 -","- C232 H236 B8 F32 N20 Ni4 P16 -","4","1","","Aaron D. Wilson; Rachel H. Newell; Michael J. McNevin; James T. Muckerman; M. Rakowski DuBois; Daniel L. DuBois","Hydrogen Oxidation and Production Using Nickel-Based Molecular Catalysts with Positioned Proton Relays","Journal of the American Chemical Society","2006","128","","358","366","10.1021/ja056442y","","","0.71073","MoKα","","0.1763","0.0809","","","0.1436","0.1753","","","","","","0.968","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110356","9.6134","0.0004","16.0484","0.0006","25.4098","0.001","90","","90","","90","","3920.2","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H57 F3 N4 O3 P2 Pd S -","- C30 H57 F3 N4 O3 P2 Pd S -","- C120 H228 F12 N16 O12 P8 Pd4 S4 -","4","1","","Douglas B. Grotjahn; Yi Gong; Lev Zakharov; James A. Golen; Arnold L. Rheingold","Changes in Coordination of Sterically Demanding Hybrid Imidazolylphosphine Ligands on Pd(0) and Pd(II)","Journal of the American Chemical Society","2006","128","","438","453","10.1021/ja054779u","","","0.71073","MoKα","","0.0287","0.0259","","","0.0602","0.0613","","","","","","1.099","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110376","8.7131","0.0015","10.2665","0.0017","24.621","0.004","90","","90","","90","","2202.4","0.6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O3 S -","- C23 H30 N2 O3 S -","- C92 H120 N8 O12 S4 -","4","1","","Marco Bandini; Alfonso Melloni; Fabio Piccinelli; Riccardo Sinisi; Simona Tommasi; Achille Umani-Ronchi","Highly Enantioselective Synthesis of Tetrahydro-β-Carbolines and Tetrahydro-γ-Carbolines Via Pd-Catalyzed Intramolecular Allylic Alkylation","Journal of the American Chemical Society","2006","128","","1424","1425","10.1021/ja054109o","","","0.71073","MoKα","","0.0659","0.0413","","","0.1051","0.1144","","","","","","0.98","","","","has coordinates","178874","2020-10-21","18:00:00",""
"4110381","8.8029","0.0003","9.6356","0.0003","21.908","0.0007","90","","90","","90","","1858.26","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17.25 H18 Cl O2.25 Os -","- C17.25 H18 Cl O2.25 Os -","- C69 H72 Cl4 O9 Os4 -","4","1","","Anna F. A. Peacock; Abraha Habtemariam; Rafael Fernández; Victoria Walland; Francesca P. A. Fabbiani; Simon Parsons; Rhona E. Aird; Duncan I. Jodrell; Peter J. Sadler","Tuning the Reactivity of Osmium(II) and Ruthenium(II) Arene Complexes under Physiological Conditions","Journal of the American Chemical Society","2006","128","","1739","1748","10.1021/ja055886r","","","0.71073","MoKα","","0.0916","0.0703","","","0.1656","0.1786","","","","","","1.156","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110397","13.0866","0.0017","14.366","0.0019","30.542","0.004","90","","90","","90","","5742","1.3","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","E,E-2,5-Bis(4-[bis(4-methoxyphenyl)amino]styryl) -3,4-di(n-butoxy)thiophene bis(hexafluoroantimonate)","","- C56 H58 F12 N2 O6 S Sb2 -","- C56 H58 F12 N2 O6 S Sb2 -","- C224 H232 F48 N8 O24 S4 Sb8 -","4","1","","Shijun Zheng; Stephen Barlow; Chad Risko; Tiffany L. Kinnibrugh; Viktor N. Khrustalev; Simon C. Jones; Mikhail Yu. Antipin; Neil M. Tucker; Tatiana V. Timofeeva; Veaceslav Coropceanu; Jean-Luc Brédas; Seth R. Marder","Isolation and Crystal Structures of Two Singlet Bis(Triarylamine) Dications with Nonquinoidal Geometries","Journal of the American Chemical Society","2006","128","","1812","1817","10.1021/ja0541534","","","0.71073","MoKα","","0.1002","0.0575","","","0.1102","0.1187","","","","","","1.035","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110399","12.7952","0.0004","17.7441","0.0005","18.5205","0.0006","90","","90","","90","","4204.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H58 Cl N2 Rh -","- C47 H58 Cl N2 Rh -","- C188 H232 Cl4 N8 Rh4 -","4","1","","Timothy W. Funk; Jacob M. Berlin; Robert H. Grubbs","Highly Active Chiral Ruthenium Catalysts for Asymmetric Ring-Closing Olefin Metathesis","Journal of the American Chemical Society","2006","128","","1840","1846","10.1021/ja055994d","","","0.71073","MoKα","","0.0814","0.0383","","","0.0541","0.0593","","","","","","0.991","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4110422","5.715","0.0004","9.49","0.0007","35.349","0.003","90","","90","","90","","1917.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-[(1R,2R)-2-{(+)-isomenthoxy}-3-oxacyclopentyl]phenol","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Hirohisa Ohmiya; Hideki Yorimitsu; Koichiro Oshima","Cobalt(diamine)-Catalyzed Cross-coupling Reaction of Alkyl Halides with Arylmagnesium Reagents: Stereoselective Constructions of Arylated Asymmetric Carbons and Application to Total Synthesis of AH13205","Journal of the American Chemical Society","2006","128","","1886","1889","10.1021/ja057560o","","","0.71073","MoKα","","0.137","0.0994","","","0.2802","0.3069","","","","","","1.013","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110423","9.6589","0.0014","14.408","0.002","19.01","0.003","90","","90","","90","","2645.5","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 O5 P -","- C31 H29 O5 P -","- C124 H116 O20 P4 -","4","1","","Mary R. Nahm; Justin R. Potnick; Peter S. White; Jeffrey S. Johnson","Metallophosphite-Catalyzed Asymmetric Acylation of α,β-Unsaturated Amides","Journal of the American Chemical Society","2006","128","","2751","2756","10.1021/ja056018x","","","0.71073","MoKα","","0.1492","0.0682","","","0.1342","0.1581","","","","","","1.032","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110425","8.7495","0.0017","12.734","0.002","22.81","0.005","90","","90","","90","","2541.4","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O6 S3 -","- C24 H26 N2 O6 S3 -","- C96 H104 N8 O24 S12 -","4","1","","Christian Hedberg; Klas Källström; Peter Brandt; Lars Kristian Hansen; Pher G. Andersson","Asymmetric Hydrogenation of Trisubstituted Olefins with Iridium-Phosphine Thiazole Complexes: A Further Investigation of the Ligand Structure","Journal of the American Chemical Society","2006","128","","2995","3001","10.1021/ja057178b","","","0.71069","MoKα","","0.1555","0.0465","","","0.084","0.1064","","","","","","0.861","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110452","8.777","0.002","15.636","0.003","34.891","0.007","90","","90","","90","","4788.3","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Co N6 -","- C28 H20 Co N6 -","- C224 H160 Co8 N48 -","8","2","","Jacob W. Ciszek; Zachary K. Keane; Long Cheng; Michael P. Stewart; Lam H. Yu; Douglas Natelson; James M. Tour","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces","Journal of the American Chemical Society","2006","128","","3179","3189","10.1021/ja055459d","","","0.71073","MoKα","","0.0407","0.0314","","0.0725","0.0688","","","","0.966","1.002","1.002","","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110478","8.8038","0.0005","14.5333","0.0007","29.4585","0.0015","90","","90","","90","","3769.2","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 B N7 O2 Zn -","- C42 H38 B N7 O2 Zn -","- C168 H152 B4 N28 O8 Zn4 -","4","1","","Faith E. Jacobsen; Jana A. Lewis; Seth M. Cohen","A New Role for Old Ligands: Discerning Chelators for Zinc Metalloproteinases","Journal of the American Chemical Society","2006","128","","3156","3157","10.1021/ja057957s","","","0.71073","MoKα","","0.031","0.0288","","","0.0726","0.0736","","","","","","1.043","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110487","5.501","0.005","10.385","0.009","16.917","0.014","90","","90","","90","","966.4","1.5","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O -","- C13 H14 O -","- C52 H56 O4 -","4","1","","Vincent Mascitti; E. J. Corey","Enantioselective Synthesis of Pentacycloanammoxic Acid","Journal of the American Chemical Society","2006","128","","3118","3119","10.1021/ja058370g","","","0.71073","MoKα","","0.1887","0.0847","","","0.1809","0.2284","","","","","","1.023","","","","has coordinates,has disorder","178875","2020-10-21","18:00:00",""
"4110491","5.605","0.0011","11.22","0.002","22.945","0.005","90","","90","","90","","1443","0.5","301","2","301","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N O -","- C18 H14 Cl N O -","- C72 H56 Cl4 N4 O4 -","4","1","","Kai-Tai Yip; Min Yang; Ka-Lun Law; Nian-Yong Zhu; Dan Yang","Pd(II)-Catalyzed Enantioselective Oxidative Tandem Cyclization Reactions. Synthesis of Indolines through C-N and C-C Bond Formation","Journal of the American Chemical Society","2006","128","","3130","3131","10.1021/ja060291x","","","0.71073","MoKα","","0.0545","0.033","","","0.0699","0.0742","","","","","","0.845","","","","has coordinates","178875","2020-10-21","18:00:00",""
"4110538","8.625","0.004","13.616","0.006","22.834","0.01","90","","90","","90","","2682","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 I P2 Pd -","- C26.8601 H24 F2.5803 I P2 Pd -","- C107.44 H96 F10.3212 I4 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.03","0.0284","","","0.0808","0.0817","","","","","","1.091","","","","has coordinates,has disorder","178876","2020-10-21","18:00:00",""
"4110543","9.6235","0.0019","13.77","0.003","21.883","0.004","90","","90","","90","","2899.8","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 Cl O P2 Pd -","- C31.19 H35 Cl0.961 O P2 Pd -","- C124.76 H140 Cl3.844 O4 P8 Pd4 -","4","1","","Vladimir V. Grushin; William J. Marshall","Unexpected H2O-Induced Ar-X Activation with Trifluoromethylpalladium(II) Aryls","Journal of the American Chemical Society","2006","128","","4632","4641","10.1021/ja0602389","","","0.71073","MoKα","","0.0417","0.0377","","","0.0829","0.0845","","","","","","1.025","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110556","6.126","0.002","7.208","0.003","22.883","0.008","90","","90","","90","","1010.4","0.6","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","Xiaozhong Liu; Joseph M. Fox","Enantioselective, Facially Selective Carbomagnesation of Cyclopropenes","Journal of the American Chemical Society","2006","128","","5600","5601","10.1021/ja058101q","","","0.71073","MoKα","","0.0453","0.0421","","","0.105","0.1075","","","","","","1.042","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110566","11.7451","0.0016","17.359","0.003","19.76","0.003","90","","90","","90","","4028.7","1.1","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H46 O6 P2 -","- C46 H46 O6 P2 -","- C184 H184 O24 P8 -","4","1","","Liqin Qiu; Fuk Yee Kwong; Jing Wu; Wai Har Lam; Shusun Chan; Wing-Yiu Yu; Yue-Ming Li; Rongwei Guo; Zhongyuan Zhou; Albert S. C. Chan","A New Class of Versatile Chiral-Bridged Atropisomeric Diphosphine Ligands: Remarkably Efficient Ligand Syntheses and Their Applications in Highly Enantioselective Hydrogenation Reactions","Journal of the American Chemical Society","2006","128","","5955","5965","10.1021/ja0602694","","","0.71073","MoKα","","0.1376","0.0516","","","0.0731","0.0836","","","","","","1.005","","","","has coordinates","178876","2020-10-21","18:00:00",""
"4110601","8.8552","0.0009","9.4886","0.0002","21.266","0.002","90","0.01","90","0.008","90","0.01","1786.8","0.3","293","2","293","2","","","101.325","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","2-Phenylpropionic acid biphenyl amide","(R)-1-(5,7-Dihydro-dibenzo[c,e]azepin-6-yl)-2-phenyl-propan-1-one","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","1","","Stefano Superchi; Roberto Bisaccia; Daniele Casarini; Alessandro Laurita; Carlo Rosini","Flexible Biphenyl Chromophore as a Circular Dichroism Probe for Assignment of the Absolute Configuration of Carboxylic Acids","Journal of the American Chemical Society","2006","128","","6893","6902","10.1021/ja058552a","","x-ray","1.54184","CuKα","","0.0627","0.0377","","","0.0892","0.1023","","","","","","1.085","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110617","9.314","0.003","16.258","0.006","18.099","0.007","90","","90","","90","","2740.7","1.7","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Tetrafluorosilicate","Potassium, 18-crown-6, Tetrafluoro[2-(phenylazo)phenyl]silicate","","- C24 H33 F4 K N2 O6 Si -","- C24 H33 F4 K N2 O6 Si -","- C96 H132 F16 K4 N8 O24 Si4 -","4","1","","Naokazu Kano; Fuminori Komatsu; Masaki Yamamura; Takayuki Kawashima","Reversible Photoswitching of the Coordination Numbers of Silicon in Organosilicon Compounds Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2006","128","","7097","7109","10.1021/ja060926s","","","0.7107","MoKα","","0.0222","0.0216","","","0.0551","0.0557","","","","","","1.077","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110622","10.7555","0.0015","11.6912","0.0016","32.48","0.002","90","","90","","90","","4084.2","0.8","","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H45 Cu2 N11 O12 -","- C35 H45 Cu2 N11 O12 -","- C140 H180 Cu8 N44 O48 -","4","1","","Sunita Thyagarajan; Narasimha N. Murthy; Amy A. Narducci Sarjeant; Kenneth D. Karlin; Steve E. Rokita","Selective DNA Strand Scission with Binuclear Copper Complexes: Implications for an Active Cu2-O2 Species","Journal of the American Chemical Society","2006","128","","7003","7008","10.1021/ja061014t","","","0.71073","MoKα","","0.0934","0.0666","","","0.176","0.1965","","","","","","0.985","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110638","8.3297","0.0002","13.933","0.004","21.481","0.003","90","","90","","90","","2493","0.8","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N2 O5 S2 -","- C22 H36 N2 O5 S2 -","- C88 H144 N8 O20 S8 -","4","1","","Shashi Kant Tiwari; Hans-Joachim Gais; Andreas Lindenmaier; Gadamsetti Surendra Babu; Gerhard Raabe; Leleti Rajender Reddy; Franz Köhler; Markus Günter; Stefan Koep; Vijaya Bhaskara Reddy Iska","Functionalized Chiral Vinyl Aminosulfoxonium Salts: Asymmetric Synthesis and Application to the Synthesis of Enantiopure Unsaturated Prolines, β,γ-Dehydro Amino Acids, and Cyclopentanoid Keto Aminosulfoxonium Ylides","Journal of the American Chemical Society","2006","128","","7360","7373","10.1021/ja061152i","","","1.54179","CuKα","","0.049","0.045","","0.059","","0.058","","","2.92","","","2.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110639","9.965","0.001","10.64","0.005","15.538","0.003","90","","90","","90","","1647.5","0.9","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O4 S -","- C14 H25 N O4 S -","- C56 H100 N4 O16 S4 -","4","1","","Shashi Kant Tiwari; Hans-Joachim Gais; Andreas Lindenmaier; Gadamsetti Surendra Babu; Gerhard Raabe; Leleti Rajender Reddy; Franz Köhler; Markus Günter; Stefan Koep; Vijaya Bhaskara Reddy Iska","Functionalized Chiral Vinyl Aminosulfoxonium Salts: Asymmetric Synthesis and Application to the Synthesis of Enantiopure Unsaturated Prolines, β,γ-Dehydro Amino Acids, and Cyclopentanoid Keto Aminosulfoxonium Ylides","Journal of the American Chemical Society","2006","128","","7360","7373","10.1021/ja061152i","","","1.54179","CuKα","","0.082","0.074","","0.093","","0.092","","","2.334","","","2.42","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110640","10.1605","0.0006","15.1025","0.0007","15.6023","0.0007","90","","90","","90","","2394.2","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N2 O4 S2 -","- C23 H34 N2 O4 S2 -","- C92 H136 N8 O16 S8 -","4","1","","Shashi Kant Tiwari; Hans-Joachim Gais; Andreas Lindenmaier; Gadamsetti Surendra Babu; Gerhard Raabe; Leleti Rajender Reddy; Franz Köhler; Markus Günter; Stefan Koep; Vijaya Bhaskara Reddy Iska","Functionalized Chiral Vinyl Aminosulfoxonium Salts: Asymmetric Synthesis and Application to the Synthesis of Enantiopure Unsaturated Prolines, β,γ-Dehydro Amino Acids, and Cyclopentanoid Keto Aminosulfoxonium Ylides","Journal of the American Chemical Society","2006","128","","7360","7373","10.1021/ja061152i","","","1.54179","CuKα","","0.035","0.035","","0.044","","0.044","","","2.52","","","2.529","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110676","4.8815","0.0004","9.4492","0.0014","16.934","0.002","90","","90","","90","","781.1","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 F3 O -","- C8 H7 F3 O -","- C32 H28 F12 O4 -","4","1","","Albrecht Berkessel; Jens A. Adrio; Daniel Hüttenhain; Jörg M. Neudörfl","Unveiling the ""Booster Effect"" of Fluorinated Alcohol Solvents: Aggregation-Induced Conformational Changes and Cooperatively Enhanced H-Bonding","Journal of the American Chemical Society","2006","128","","8421","8426","10.1021/ja0545463","","","0.71073","MoKα","","0.0721","0.0331","","","0.0504","0.0564","","","","","","1.027","","","","has coordinates","178877","2020-10-21","18:00:00",""
"4110695","6.2995","0.0013","7.6709","0.0015","26.378","0.005","90","","90","","90","","1274.7","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Phil S. Baran; Benjamin D. Hafensteiner; Narendra B. Ambhaikar; Carlos A. Guerrero; John D. Gallagher","Enantioselective Total Synthesis of Avrainvillamide and the Stephacidins","Journal of the American Chemical Society","2006","128","","8678","8693","10.1021/ja061660s","","","0.71073","MoKα","","0.0449","0.0374","","","0.0791","0.0828","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4110741","5.739","0.0004","11.5465","0.0008","24.7603","0.0016","90","","90","","90","","1640.75","0.19","93.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 S -","- C18 H19 N O3 S -","- C72 H76 N4 O12 S4 -","4","1","","Yoshimitsu Nagao; Satoshi Miyamoto; Motoyuki Miyamoto; Hiroe Takeshige; Kazuhiko Hayashi; Shigeki Sano; Motoo Shiro; Kentaro Yamaguchi; Yoshihisa Sei","Highly Stereoselective Asymmetric Pummerer Reactions That Incorporate Intermolecular and Intramolecular Nonbonded S...O Interactions","Journal of the American Chemical Society","2006","128","","9722","9729","10.1021/ja056649r","","","1.54187","CuKα","","","0.0453","","","","0.0826","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110742","5.7455","0.0009","16.488","0.003","20.354","0.003","90","","90","","90","","1928.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl O -","- C22 H23 Cl O -","- C88 H92 Cl4 O4 -","4","1","","Xian-Ming Deng; Ping Cai; Song Ye; Xiu-Li Sun; Wei-Wei Liao; Kai Li; Yong Tang; Yun-Dong Wu; Li-Xin Dai","Enantioselective Synthesis of Vinylcyclopropanes and Vinylepoxides Mediated by Camphor-Derived Sulfur Ylides: Rationale of Enantioselectivity, Scope, and Limitation","Journal of the American Chemical Society","2006","128","","9730","9740","10.1021/ja056751o","","","0.71073","MoKα","","0.1326","0.0628","","","0.1114","0.1475","","","","","","0.974","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110744","5.8427","0.0009","12.5166","0.0018","25.536","0.004","90","","90","","90","","1867.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Br O -","- C24 H19 Br O -","- C96 H76 Br4 O4 -","4","1","","Xian-Ming Deng; Ping Cai; Song Ye; Xiu-Li Sun; Wei-Wei Liao; Kai Li; Yong Tang; Yun-Dong Wu; Li-Xin Dai","Enantioselective Synthesis of Vinylcyclopropanes and Vinylepoxides Mediated by Camphor-Derived Sulfur Ylides: Rationale of Enantioselectivity, Scope, and Limitation","Journal of the American Chemical Society","2006","128","","9730","9740","10.1021/ja056751o","","","0.71073","MoKα","","0.1113","0.047","","","0.0821","0.0964","","","","","","0.746","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110746","10.5103","0.0005","10.6685","0.0007","11.2533","0.0007","90","","90","","90","","1261.82","0.13","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N O2 Rh -","- C13 H20 N O2 Rh -","- C52 H80 N4 O8 Rh4 -","4","1","","Dennis G. H. Hetterscheid; Coen Hendriksen; Wojciech I. Dzik; Jan M. M. Smits; Ernst R. H. van Eck; Alan E. Rowan; Vincenzo Busico; Michele Vacatello; Valeria Van Axel Castelli; Annalaura Segre; Erica Jellema; Tom G. Bloemberg; Bas de Bruin","Rhodium-Mediated Stereoselective Polymerization of ""Carbenes""","Journal of the American Chemical Society","2006","128","","9746","9752","10.1021/ja058722j","","","0.71073","MoKα","","0.0211","0.0203","","0.0495","0.049","0.0495","","","1.054","","","1.054","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110747","9.0881","0.0005","10.9092","0.0004","17.6478","0.0006","90","","90","","90","","1749.67","0.13","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Ir N O2 -","- C20 H26 Ir N O2 -","- C80 H104 Ir4 N4 O8 -","4","1","","Dennis G. H. Hetterscheid; Coen Hendriksen; Wojciech I. Dzik; Jan M. M. Smits; Ernst R. H. van Eck; Alan E. Rowan; Vincenzo Busico; Michele Vacatello; Valeria Van Axel Castelli; Annalaura Segre; Erica Jellema; Tom G. Bloemberg; Bas de Bruin","Rhodium-Mediated Stereoselective Polymerization of ""Carbenes""","Journal of the American Chemical Society","2006","128","","9746","9752","10.1021/ja058722j","","","0.71073","MoKα","","0.0137","0.0124","","0.0256","0.0252","0.0256","","","1.078","","","1.078","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110749","9.1192","0.0007","10.8625","0.0004","17.6706","0.0008","90","","90","","90","","1750.4","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O2 Rh -","- C20 H26 N O2 Rh -","- C80 H104 N4 O8 Rh4 -","4","1","","Dennis G. H. Hetterscheid; Coen Hendriksen; Wojciech I. Dzik; Jan M. M. Smits; Ernst R. H. van Eck; Alan E. Rowan; Vincenzo Busico; Michele Vacatello; Valeria Van Axel Castelli; Annalaura Segre; Erica Jellema; Tom G. Bloemberg; Bas de Bruin","Rhodium-Mediated Stereoselective Polymerization of ""Carbenes""","Journal of the American Chemical Society","2006","128","","9746","9752","10.1021/ja058722j","","","0.71073","MoKα","","0.0178","0.0156","","0.0351","0.0343","0.0351","","","1.06","","","1.06","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110756","6.1931","0.0009","20.977","0.003","23.49","0.003","90","","90","","90","","3051.6","0.7","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 O9 -","- C33 H42 O9 -","- C132 H168 O36 -","4","1","","Sang-Jin Jeon; Ethan L. Fisher; Patrick J. Carroll; Patrick J. Walsh","Direct, Stereospecific Generation of (Z)-Disubstituted Allylic Alcohols","Journal of the American Chemical Society","2006","128","","9618","9619","10.1021/ja061973n","","","0.71069","MoKα","","0.0855","0.0694","","","0.1821","0.194","","","","","","1.018","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110775","5.3458","0.0011","15.312","0.003","18.622","0.004","90","","90","","90","","1524.3","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Haile Zhang; Maria Mifsud; Fujie Tanaka; Carlos F. Barbas","3-Pyrrolidinecarboxylic Acid for Direct Catalytic Asymmetricanti-Mannich-Type Reactions of Unmodified Ketones","Journal of the American Chemical Society","2006","128","","9630","9631","10.1021/ja062950b","","","0.71073","MoKα","","0.0653","0.0508","","","0.1226","0.1313","","","","","","1.042","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110776","8.593","0.0017","12.377","0.003","17.909","0.004","90","","90","","90","","1904.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C76 H108 N4 O16 -","4","1","","Haile Zhang; Maria Mifsud; Fujie Tanaka; Carlos F. Barbas","3-Pyrrolidinecarboxylic Acid for Direct Catalytic Asymmetricanti-Mannich-Type Reactions of Unmodified Ketones","Journal of the American Chemical Society","2006","128","","9630","9631","10.1021/ja062950b","","","0.71073","MoKα","","0.0626","0.0425","","","0.1002","0.1102","","","","","","1.035","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110792","16.1885","0.001","17.2338","0.001","18.3734","0.0011","90","","90","","90","","5126","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H62 Mn N8 O5 U -","- C56 H62 Mn N8 O5 U -","- C224 H248 Mn4 N32 O20 U4 -","4","1","","Polly L. Arnold; Dipti Patel; Alexander J. Blake; Claire Wilson; Jason B. Love","Selective Oxo Functionalization of the Uranyl Ion with 3d Metal Cations","Journal of the American Chemical Society","2006","128","","9610","9611","10.1021/ja0634167","","","0.71073","MoKα","","0.0391","0.0335","","","0.0795","0.0833","","","","","","1.026","","","","has coordinates,has disorder","178878","2020-10-21","18:00:00",""
"4110793","13.7156","0.0016","13.8208","0.0016","24.136","0.003","90","","90","","90","","4575.2","0.9","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H56 Co N8 O5 U -","- C50 H56 Co N8 O5 U -","- C200 H224 Co4 N32 O20 U4 -","4","1","","Polly L. Arnold; Dipti Patel; Alexander J. Blake; Claire Wilson; Jason B. Love","Selective Oxo Functionalization of the Uranyl Ion with 3d Metal Cations","Journal of the American Chemical Society","2006","128","","9610","9611","10.1021/ja0634167","","","0.71073","MoKα","","0.0565","0.0475","","","0.0951","0.0983","","","","","","1.16","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110798","8.209","0.003","10.253","0.004","12.101","0.005","90","","90","","90","","1018.5","0.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 Br N O3 -","- C9 H12 Br N O3 -","- C36 H48 Br4 N4 O12 -","4","1","","Ying-Yeung Yeung; Xuri Gao; E. J. Corey","A General Process for the Haloamidation of Olefins. Scope and Mechanism","Journal of the American Chemical Society","2006","128","","9644","9645","10.1021/ja063675w","","","0.71073","MoKα","","0.0168","0.0164","","","0.0412","0.0415","","","","","","0.549","","","","has coordinates","178878","2020-10-21","18:00:00",""
"4110823","5.137","0.005","13.604","0.003","16.472","0.002","90","","90","","90","","1151.1","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 B2 N2 -","- C14 H12 B2 N2 -","- C56 H48 B8 N8 -","4","1","","Cory A. Jaska; David J. H. Emslie; Michael J. D. Bosdet; Warren E. Piers; Ted S. Sorensen; Masood Parvez","Triphenylene Analogues with B2N2C2 Cores: Synthesis, Structure, Redox Behavior, and Photophysical Properties","Journal of the American Chemical Society","2006","128","","10885","10896","10.1021/ja063519p","","","0.71073","MoKα","","0.1446","0.0499","","","0.1019","0.1338","","","","","","0.946","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110827","8.5077","0.0001","10.2834","0.0001","26.4617","0.0003","90","","90","","90","","2315.08","0.04","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Br N3 O7 -","- C25 H18 Br N3 O7 -","- C100 H72 Br4 N12 O28 -","4","1","","Jong Uk Rhee; Michael J. Krische","Highly Enantioselective Reductive Cyclization of Acetylenic Aldehydes via Rhodium Catalyzed Asymmetric Hydrogenation","Journal of the American Chemical Society","2006","128","","10674","10675","10.1021/ja0637954","","","0.7107","MoKα","","0.0429","0.0301","","","0.0619","0.0675","","","","","","1.055","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110828","5.9234","0.0001","16.2878","0.0003","21.0361","0.0004","90","","90","","90","","2029.55","0.06","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O4 S -","- C21 H22 Br N O4 S -","- C84 H88 Br4 N4 O16 S4 -","4","1","","Jong Uk Rhee; Michael J. Krische","Highly Enantioselective Reductive Cyclization of Acetylenic Aldehydes via Rhodium Catalyzed Asymmetric Hydrogenation","Journal of the American Chemical Society","2006","128","","10674","10675","10.1021/ja0637954","","","0.71073","MoKα","","0.0539","0.0344","","","0.0611","0.0673","","","","","","1.015","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110847","22.202","0.019","26.62","0.02","38.95","0.03","90","","90","","90","","23020","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H80 Cl2 O2 P4 Pt2 -","- C52 H80 Cl2 O2 P4 Pt2 -","- C832 H1280 Cl32 O32 P64 Pt32 -","16","4","","Hua Jiang; Wenbin Lin","Directed Assembly of Mesoscopic Metallocycles with Controllable Size, Chirality, and Functionality Based on the Robust Pt-Alkynyl Linkage","Journal of the American Chemical Society","2006","128","","11286","11297","10.1021/ja0633013","","","0.71073","MoKα","","0.1931","0.099","","","0.1905","0.2144","","","","","","1.01","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110851","10.176","0.004","11.376","0.005","19.084","0.008","90","","90","","90","","2209.2","1.6","","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","sins0103a","","","- C24 H26 Br N O7 -","- C24 H26 Br N O7 -","- C96 H104 Br4 N4 O28 -","4","1","","Sheo B. Singh; Hiranthi Jayasuriya; John G. Ondeyka; Kithsiri B. Herath; Chaowei Zhang; Deborah L. Zink; Nancy N. Tsou; Richard G. Ball; Angela Basilio; Olga Genilloud; Maria Teresa Diez; Francisca Vicente; Fernando Pelaez; Katherine Young; Jun Wang","Isolation, Structure, and Absolute Stereochemistry of Platensimycin, A Broad Spectrum Antibiotic Discovered Using an Antisense Differential Sensitivity Strategy","Journal of the American Chemical Society","2006","128","","11916","11920","10.1021/ja062232p","","","","MoKα","","","0.0383","","","","0.0623","","","","","","0.89","","","","has coordinates","178879","2020-10-21","18:00:00",""
"4110918","13.211","0.013","22.65","0.02","38.42","0.04","90","","90","","90","","11496","19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cucurbit[8]uril/FGG peptide complex","","","- C74 H191 N38 O47 -","- C74 H82 N38 O46.5 -","- C296 H328 N152 O186 -","4","1","","Lisa M. Heitmann; Alexander B. Taylor; P. John Hart; Adam R. Urbach","Sequence-Specific Recognition and Cooperative Dimerization of N-Terminal Aromatic Peptides in Aqueous Solution by a Synthetic Host","Journal of the American Chemical Society","2006","128","","12574","12581","10.1021/ja064323s","","","0.95","synchrotron","","0.1308","0.1277","","","0.3408","0.3472","","","","","","2.306","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110932","13.888","0.004","20.666","0.006","25.416","0.008","90","","90","","90","","7295","4","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C75 H58 B F24 Ir N O P -","- C75 H58 B F24 Ir N O P -","- C300 H232 B4 F96 Ir4 N4 O4 P4 -","4","1","","Shou-Fei Zhu; Jian-Bo Xie; Yong-Zhen Zhang; Shen Li; Qi-Lin Zhou","Well-Defined Chiral Spiro Iridium/Phosphine-Oxazoline Cationic Complexes for Highly Enantioselective Hydrogenation of Imines at Ambient Pressure","Journal of the American Chemical Society","2006","128","","12886","12891","10.1021/ja063444p","","","0.71073","MoKα","","0.1235","0.0591","","","0.1219","0.1514","","","","","","1.028","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110933","9.708","0.005","13.803","0.008","18.973","0.01","90","","90","","90","","2542","2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br N -","- C14 H14 Br N -","- C112 H112 Br8 N8 -","8","2","","Shou-Fei Zhu; Jian-Bo Xie; Yong-Zhen Zhang; Shen Li; Qi-Lin Zhou","Well-Defined Chiral Spiro Iridium/Phosphine-Oxazoline Cationic Complexes for Highly Enantioselective Hydrogenation of Imines at Ambient Pressure","Journal of the American Chemical Society","2006","128","","12886","12891","10.1021/ja063444p","","","0.71073","MoKα","","0.136","0.0396","","","0.0667","0.0894","","","","","","0.982","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4110949","13.0789","0.0013","14.9759","0.0015","20.744","0.002","90","","90","","90","","4063.1","0.7","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H56 B La -","- C50 H56 B La -","- C200 H224 B4 La4 -","4","1","","Hiyam Hamaed; Andy Y. H. Lo; David S. Lee; William J. Evans; Robert W. Schurko","Solid-State 139La and 15N NMR Spectroscopy of Lanthanum-Containing Metallocenes","Journal of the American Chemical Society","2006","128","","12638","12639","10.1021/ja0645180","","","0.71073","MoKα","","0.0249","0.0203","","","0.0481","0.0519","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4110990","7.1855","0.001","14.852","0.002","25.812","0.004","90","","90","","90","","2754.6","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Br3 N O5 -","- C30 H24 Br3 N O5 -","- C120 H96 Br12 N4 O20 -","4","1","","Weston R. Judd; Sooho Ban; Jeffrey Aubé","Remote Control of Diastereoselectivity in Intramolecular Reactions of Chiral Allylsilanes","Journal of the American Chemical Society","2006","128","","13736","13741","10.1021/ja063411+","","","0.71073","MoKα","","0.0375","0.0326","","","0.0749","0.0768","","","","","","1.016","","","","has coordinates","178880","2020-10-21","18:00:00",""
"4111087","8.1944","0.0005","8.2657","0.0005","12.9537","0.0009","90","","90","","90","","877.39","0.1","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-thiaselenetane-1-oxide","","- C2 H4 O S Se -","- C2 H4 O S Se -","- C16 H32 O8 S8 Se8 -","8","2","","Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang","Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications","Journal of the American Chemical Society","2006","128","","14949","14961","10.1021/ja065037j","","","0.71073","MoKα","","0.0232","0.023","","","0.0593","0.0594","","","","","","1.052","","","","has coordinates","178881","2020-10-21","18:00:00",""
"4111100","5.7337","0.0005","11.389","0.001","25.942","0.002","90","","90","","90","","1694","0.2","100","1","100","1","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C72 H76 N4 O16 S4 -","4","1","","Gareth P. Howell; Stephen P. Fletcher; Koen Geurts; Bjorn ter Horst; Ben L. Feringa","Catalytic Asymmetric Synthesis of Acyclic Arrays by Tandem 1,4-Addition-Aldol Reactions","Journal of the American Chemical Society","2006","128","","14977","14985","10.1021/ja0651862","","","0.71073","MoKα","","0.0274","0.0261","","","0.0621","0.0629","","","","","","1.054","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111142","11.9791","0.0018","13.461","0.002","30.871","0.005","90","","90","","90","","4978","1.3","173","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","{[Me3NN]Cu}2(m-NAr)","","","- C54 H67 Cu2 N5 -","- C54 H67 Cu2 N5 -","- C216 H268 Cu8 N20 -","4","1","","Yosra M. Badiei; Ammani Krishnaswamy; Marie M. Melzer; Timothy H. Warren","Transient Terminal Cu-Nitrene Intermediates from Discrete Dicopper Nitrenes","Journal of the American Chemical Society","2006","128","","15056","15057","10.1021/ja065299l","","","0.71073","MoKα","","0.1128","0.0577","","","0.1189","0.1326","","","","","","1.01","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111146","6.8389","0.0001","8.3595","0.0001","21.712","0.0003","90","","90","","90","","1241.27","0.03","160","1","160","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl N O2 S -","- C10 H16 Cl N O2 S -","- C40 H64 Cl4 N4 O8 S4 -","4","1","","Claudio Palomo; Mikel Oiarbide; Rosa López; Pedro B. González; Enrique Gómez-Bengoa; José M. Saá; Anthony Linden","Intramolecular Sulfur Transfer in N-Enoyl Oxazolidine-2-thiones Promoted by Brønsted Acids. Practical Asymmetric Synthesis of β-Mercapto Carboxylic Acids and Mechanistic Insights","Journal of the American Chemical Society","2006","128","","15236","15247","10.1021/ja0654027","","","0.71073","MoKα","","0.0483","0.0389","","0.0365","0.0359","0.0359","","","2.482","","","2.442","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111147","6.4393","0.0001","14.0592","0.0003","22.5672","0.0004","90","","90","","90","","2043.04","0.06","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O6 S -","- C20 H24 N2 O6 S -","- C80 H96 N8 O24 S4 -","4","1","","Claudio Palomo; Mikel Oiarbide; Rosa López; Pedro B. González; Enrique Gómez-Bengoa; José M. Saá; Anthony Linden","Intramolecular Sulfur Transfer in N-Enoyl Oxazolidine-2-thiones Promoted by Brønsted Acids. Practical Asymmetric Synthesis of β-Mercapto Carboxylic Acids and Mechanistic Insights","Journal of the American Chemical Society","2006","128","","15236","15247","10.1021/ja0654027","","","0.71073","MoKα","","0.0604","0.041","","","0.0886","0.0975","","","","","","1.057","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111151","5.5625","0.0006","18.3979","0.0018","18.5522","0.0018","90","","90","","90","","1898.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br O4 -","- C21 H19 Br O4 -","- C84 H76 Br4 O16 -","4","1","","Ming He; Gerson J. Uc; Jeffrey W. Bode","Chiral N-Heterocyclic Carbene Catalyzed, Enantioselective Oxodiene Diels-Alder Reactions with Low Catalyst Loadings","Journal of the American Chemical Society","2006","128","","15088","15089","10.1021/ja066380r","","","0.71073","MoKα","","0.0959","0.0423","","","0.0929","0.1145","","","","","","1.003","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111152","4.1107","0.00004","11.7953","0.0001","18.6524","0.0002","90","","90","","90","","904.398","0.015","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","HBPSTMe","","","- C6 H4 N3 S2 Se2 -","- C6 H4 N3 S2 Se2 -","- C24 H16 N12 S8 Se8 -","4","1","","Jaclyn L. Brusso; Kristina Cvrkalj; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; Craig M. Robertson","Resonance Stabilized Bisdiselenazolyls as Neutral Radical Conductors","Journal of the American Chemical Society","2006","128","","15080","15081","10.1021/ja0666856","","","1.54178","CuKα","","0.0222","0.0213","","","0.0579","0.0586","","","","","","1.063","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111153","4.199","0.005","12.181","0.013","18.637","0.021","90","","90","","90","","953.2","1.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 N3 Se4 -","- C6 H4 N3 Se4 -","- C24 H16 N12 Se16 -","4","1","","Jaclyn L. Brusso; Kristina Cvrkalj; Alicea A. Leitch; Richard T. Oakley; Robert W. Reed; Craig M. Robertson","Resonance Stabilized Bisdiselenazolyls as Neutral Radical Conductors","Journal of the American Chemical Society","2006","128","","15080","15081","10.1021/ja0666856","powder diffraction","x-ray","1.54056","Kα~1~","","","","","","","","0.09425","","5022.95","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4111154","6.6268","0.0002","11.6519","0.0005","13.942","0.0006","90","","90","","90","","1076.53","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 O2 -","- C11 H18 O2 -","- C44 H72 O8 -","4","1","","Ryan M. Moslin; Timothy F. Jamison","Highly Convergent Total Synthesis of (+)-Acutiphycin","Journal of the American Chemical Society","2006","128","","15106","15107","10.1021/ja0670660","","","0.71073","MoKα","","0.0354","0.0343","","","0.0903","0.0921","","","","","","1.098","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111155","11.609","0.0006","16.6719","0.0009","24.1579","0.0014","90","","90","","90","","4675.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H72 O8 Si -","- C47 H72 O8 Si -","- C188 H288 O32 Si4 -","4","1","","Ryan M. Moslin; Timothy F. Jamison","Highly Convergent Total Synthesis of (+)-Acutiphycin","Journal of the American Chemical Society","2006","128","","15106","15107","10.1021/ja0670660","","","0.71073","MoKα","","0.0533","0.0464","","","0.1278","0.1352","","","","","","1.041","","","","has coordinates,has disorder","178882","2020-10-21","18:00:00",""
"4111156","6.74156","0.00028","13.9904","0.0006","25.7097","0.0009","90","","90","","90","","2424.86","0.17","","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O4 -","- C28 H37 N O4 -","- C112 H148 N4 O16 -","4","1","","Eugene Y. Cheung; Kenneth D.M. Harris; Ting Kang; John R. Scheffer; James Trotter","Structure-Reactivity Correlations for Solid-State Enantioselective Photochemical Reactions Established Directly from Powder X-ray Diffraction","Journal of the American Chemical Society","2006","128","","15554","15555","10.1021/ja063706n","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.21019","","","","","","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111157","6.73624","0.00034","13.97","0.0011","25.6874","0.0013","90","","90","","90","","2417.3","0.3","","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O4 -","- C28 H37 N O4 -","- C112 H148 N4 O16 -","4","1","","Eugene Y. Cheung; Kenneth D.M. Harris; Ting Kang; John R. Scheffer; James Trotter","Structure-Reactivity Correlations for Solid-State Enantioselective Photochemical Reactions Established Directly from Powder X-ray Diffraction","Journal of the American Chemical Society","2006","128","","15554","15555","10.1021/ja063706n","powder diffraction","x-ray","1.54056","","","","","","","","","0.23624","","3.94","","","","","","","has coordinates","178882","2020-10-21","18:00:00",""
"4111233","9.0897","0.001","14.4865","0.0016","17.822","0.002","90","","90","","90","","2346.8","0.5","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H41 Cl N2 Ta -","- C22 H41 Cl N2 Ta -","- C88 H164 Cl4 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0486","0.0364","","","0.0765","0.0812","","","","","","1","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111234","9.1356","0.0014","14.719","0.002","18.008","0.003","90","","90","","90","","2421.5","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tantalum methyl neopentyl","","- C23 H43 Cl N2 Ta -","- C23 H43 Cl N2 Ta -","- C92 H172 Cl4 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0276","0.0257","","","0.0586","0.0594","","","","","","0.999","","","","has coordinates","178883","2020-10-21","18:00:00",""
"4111236","9.0851","0.0016","14.834","0.003","18.443","0.003","90","","90","","90","","2485.5","0.8","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N2 Ta -","- C24 H46 N2 Ta -","- C96 H184 N8 Ta4 -","4","1","","Albert Epshteyn; Peter Y. Zavalij; Lawrence R. Sita","High-Oxidation-State Neutral and Cationic Tantalum(IV) Alkyl Complexes That Are Stable toward β-Hydrogen and β-Methyl Eliminations","Journal of the American Chemical Society","2006","128","","16052","16053","10.1021/ja067011y","","","0.71073","MoKα","","0.0356","0.0327","","","0.0717","0.0731","","","","","","1","","","","has coordinates,has disorder","178883","2020-10-21","18:00:00",""
"4111241","6.5003","0.0009","16.178","0.002","18.895","0.003","90","","90","","90","","1987","0.5","181.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 S -","- C17 H29 N O4 S -","- C68 H116 N4 O16 S4 -","4","1","","Hillary M. Peltier; Jeffrey P. McMahon; Andrew W. Patterson; Jonathan A. Ellman","The Total Synthesis of Tubulysin D","Journal of the American Chemical Society","2006","128","","16018","16019","10.1021/ja067177z","","","0.7107","MoKα","","0.0398","0.0337","","0.0419","","0.041","","","","","","1.704","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111260","10.317","0.002","14.994","0.003","15.823","0.003","90","","90","","90","","2447.7","0.8","150.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H40 S Si5 -","- C16 H40 S Si5 -","- C64 H160 S4 Si20 -","4","1","","Takeaki Iwamoto; Katsuhiro Sato; Shintaro Ishida; Chizuko Kabuto; Mitsuo Kira","Synthesis, Properties, and Reactions of a Series of Stable Dialkyl-Substituted Silicon-Chalcogen Doubly Bonded Compounds","Journal of the American Chemical Society","2006","128","","16914","16920","10.1021/ja065774f","","","0.7107","MoKα","","","0.0289","","","","0.0802","","","","","","0.962","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111269","8.31","0.001","26.062","0.003","10.237","0.001","90","","90","","90","","2217.1","0.4","171.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 O6 -","- C24 H34 O6 -","- C96 H136 O24 -","4","1","","Aubry K. Miller; Chambers C. Hughes; Joshua J. Kennedy-Smith; Stefan N. Gradl; Dirk Trauner","Total Synthesis of (-)-Heptemerone B and (-)-Guanacastepene E","Journal of the American Chemical Society","2006","128","","17057","17062","10.1021/ja0660507","","","0.7107","MoKα","","0.0676","0.0423","","0.0546","","0.0468","","","","","","1.467","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111297","8.3996","0.0002","13.3132","0.0003","14.1796","0.0004","90","","90","","90","","1585.64","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N5 O -","- C18 H17 N5 O -","- C72 H68 N20 O4 -","4","1","","Nicolas Giuseppone; Jean-Louis Schmitt; Jean-Marie Lehn","Driven Evolution of a Constitutional Dynamic Library of Molecular Helices Toward the Selective Generation of [2 x 2] Gridlike Arrays under the Pressure of Metal Ion Coordination","Journal of the American Chemical Society","2006","128","","16748","16763","10.1021/ja0666452","","","0.71073","Mo-Kα","","0.075","0.042","","0.1","","0.055","","","1.937","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111298","9.058","0.0001","11.47","0.0002","29.733","0.0004","90","","90","","90","","3089.12","0.08","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F6 N8 O6 S2 -","- C26 H24 F6 N8 O6 S2 -","- C104 H96 F24 N32 O24 S8 -","4","1","","Nicolas Giuseppone; Jean-Louis Schmitt; Jean-Marie Lehn","Driven Evolution of a Constitutional Dynamic Library of Molecular Helices Toward the Selective Generation of [2 x 2] Gridlike Arrays under the Pressure of Metal Ion Coordination","Journal of the American Chemical Society","2006","128","","16748","16763","10.1021/ja0666452","","","0.71073","MoKα","","0.0807","0.0499","","","0.1008","0.1128","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111302","5.5911","0.0011","7.3687","0.0015","41.52","0.008","90","","90","","90","","1710.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Br N3 O2 -","- C18 H20 Br N3 O2 -","- C72 H80 Br4 N12 O8 -","4","1","","Masanori Kawasaki; Hisashi Yamamoto","Catalytic Enantioselective Hetero-Diels-Alder Reactions of an Azo Compound","Journal of the American Chemical Society","2006","128","","16482","16483","10.1021/ja066726y","","","0.71073","MoKα","","0.0372","0.0323","","","0.0711","0.0722","","","","","","1.059","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111306","16.4996","0.0004","17.5151","0.0004","39.0416","0.0009","90","","90","","90","","11282.7","0.5","93.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C114 H121 F8 Gd3 N6 O20 P4 -","- C114 H117 F8 Gd3 N6 O20 P4 -","- C456 H468 F32 Gd12 N24 O80 P16 -","4","1","","Ikuo Fujimori; Tsuyoshi Mita; Keisuke Maki; Motoo Shiro; Akihiro Sato; Sanae Furusho; Motomu Kanai; Masakatsu Shibasaki","Key Role of the Lewis Base Position in Asymmetric Bifunctional Catalysis: Design and Evaluation of a New Ligand for Chiral Polymetallic Catalysts","Journal of the American Chemical Society","2006","128","","16438","16439","10.1021/ja067003h","","","0.71075","MoKα","","","0.0326","","","","0.0594","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111318","11.983","0.001","13.063","0.002","14.646","0.002","90","","90","","90","","2292.6","0.5","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C116 H104 N8 O8 -","4","1","","Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski","Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry","Journal of the American Chemical Society","2006","128","","16514","16515","10.1021/ja067475w","","","0.71073","MoKα","","0.1258","0.0632","","","0.1264","0.1541","","","","","","1.041","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111330","7.7608","0.0003","13.4612","0.0004","23.7464","0.0007","90","","90","","90","","2480.78","0.14","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 O2 -","- C29 H38 O2 -","- C116 H152 O8 -","4","1","","Yu-Jun Zhao; Shu-Sin Chng; Teck-Peng Loh","Lewis Acid-Promoted Intermolecular Acetal-Initiated Cationic Polyene Cyclizations","Journal of the American Chemical Society","2007","129","","492","493","10.1021/ja067660+","","","0.71073","MoKα","","0.0643","0.0425","","","0.111","0.1335","","","","","","1.09","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111331","8.8496","0.0006","10.7161","0.0006","19.1133","0.0012","90","","90","","90","","1812.6","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C80 H76 N4 O16 S4 -","4","1","","Liansuo Zu; Jian Wang; Hao Li; Hexin Xie; Wei Jiang; Wei Wang","Cascade Michael-Aldol Reactions Promoted by Hydrogen Bonding Mediated Catalysis","Journal of the American Chemical Society","2007","129","","1036","1037","10.1021/ja067781+","","","0.71073","MoKα","","0.0381","0.032","","","0.0842","0.0895","","","","","","1.075","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111341","9.1824","0.0004","10.6533","0.0005","13.0707","0.0006","90","","90","","90","","1278.61","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O3 -","- C13 H22 O3 -","- C52 H88 O12 -","4","1","","Rongbiao Tong; Jason C. Valentine; Frank E. McDonald; Rui Cao; Xikui Fang; Kenneth I. Hardcastle","Total Syntheses of Durgamone, Nakorone, and Abudinol B via Biomimetic Oxa- and Carbacyclizations","Journal of the American Chemical Society","2007","129","","1050","1051","10.1021/ja068826+","","","1.54178","CuKα\","","0.0503","0.0377","","","0.0876","0.1045","","","","","","1.064","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111342","7.1883","0.0005","9.8601","0.0007","23.4975","0.0016","90","","90","","90","","1665.4","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O2 -","- C19 H30 O2 -","- C76 H120 O8 -","4","1","","Rongbiao Tong; Jason C. Valentine; Frank E. McDonald; Rui Cao; Xikui Fang; Kenneth I. Hardcastle","Total Syntheses of Durgamone, Nakorone, and Abudinol B via Biomimetic Oxa- and Carbacyclizations","Journal of the American Chemical Society","2007","129","","1050","1051","10.1021/ja068826+","","","1.54178","CuKα","","0.0344","0.0322","","","0.0761","0.0774","","","","","","1.083","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111349","9.2969","0.0009","12.2219","0.0011","15.8158","0.0016","90","","90","","90","","1797.1","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 -","- C21 H25 N O4 -","- C84 H100 N4 O16 -","4","1","","Douglas C. Beshore; Amos B. Smith","Total Syntheses of (+)-Lyconadin A and (-)-Lyconadin B","Journal of the American Chemical Society","2007","129","","4148","4149","10.1021/ja070336+","","","0.71069","MoKα","","0.0409","0.0386","","","0.0895","0.0912","","","","","","1.078","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111371","9.1373","0.0001","13.9938","0.0002","15.1999","0.0002","90","","90","","90","","1943.54","0.04","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 P2 Ru -","- C18 H30 P2 Ru -","- C72 H120 P8 Ru4 -","4","1","","David E. Herbert; Makoto Tanabe; Sara C. Bourke; Alan J. Lough; Ian Manners","Strain-Controlled, Photochemically, or Thermally Promoted Haptotropic Shifts of Cyclopentadienyl Ligands in Group 8 Metallocenophanes","Journal of the American Chemical Society","2008","130","","4166","4176","10.1021/ja077334+","","","0.71073","MoKα","","0.0256","0.0234","","","0.0546","0.0561","","","","","","1.124","","","","has coordinates","178884","2020-10-21","18:00:00",""
"4111405","10.3095","0.0017","10.4553","0.0018","35.754","0.006","90","","90","","90","","3853.9","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C53 H40 O3 -","- C53 H40 O3 -","- C212 H160 O12 -","4","1","","Aditya K. Unni; Norito Takenaka; Hisashi Yamamoto; Viresh H. Rawal","Axially Chiral Biaryl Diols Catalyze Highly Enantioselective Hetero-Diels-Alder Reactions through Hydrogen Bonding","Journal of the American Chemical Society","2005","127","","1336","1337","10.1021/ja044076x","","","0.71073","MoKα","","0.0486","0.0467","","","0.0909","0.0916","","","","","","1.206","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111430","8.8102","0.0014","12.479","0.002","16.025","0.003","90","","90","","90","","1761.8","0.5","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 Cl2 Fe N2 Ni S2 -","- C11 H24 Cl2 Fe N2 Ni S2 -","- C44 H96 Cl8 Fe4 N8 Ni4 S8 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0736","0.0709","","","0.1692","0.172","","","","","","1.098","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111437","11.4615","0.0019","14.999","0.003","24.035","0.004","90","","90","","90","","4131.9","1.3","273","2","273","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C44 H42 Cl2 N2 Ni O2 P2 Pt S2 -","- C44 H42 Cl2 N2 Ni O2 P2 Pt S2 -","- C176 H168 Cl8 N8 Ni4 O8 P8 Pt4 S8 -","4","1","","P. Venkateswara Rao; Sumit Bhaduri; Jianfeng Jiang; Daewon Hong; R. H. Holm","On [Fe4S4]2±(μ2-SR)-MII Bridge Formation in the Synthesis of an A-Cluster Analogue of Carbon Monoxide Dehydrogenase/Acetylcoenzyme A Synthase","Journal of the American Chemical Society","2005","127","","1933","1945","10.1021/ja040222n","","","0.71073","MoKα","","0.0704","0.0482","","","0.09","0.0974","","","","","","0.996","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111507","9.4999","0.0005","12.044","0.0006","19.6947","0.0009","90","","90","","90","","2253.4","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H37 N3 O5 -","- C23 H37 N3 O5 -","- C92 H148 N12 O20 -","4","1","","Zachary D. Aron; Larry E. Overman","Total Synthesis and Properties of the Crambescidin Core Zwitterionic Acid and Crambescidin 359","Journal of the American Chemical Society","2005","127","","3380","3390","10.1021/ja042875+","","","0.71073","MoKα","","0.062","0.0376","","","0.0744","0.0852","","","","","","1.06","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111530","6.4651","0.0006","15.1371","0.0014","19.9694","0.0019","90","","90","","90","","1954.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-diisopropylaminooxalyl-N-((R)-1,2-dimethylpropyl)benzamide","","- C20 H30 N2 O3 -","- C20 H30 N2 O3 -","- C80 H120 N8 O12 -","4","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0735","0.0506","","","0.1009","0.1105","","","","","","1.025","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4111532","6.1593","0.0008","13.058","0.0018","35.785","0.005","90","","90","","90","","2878.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N2 O5 -","- C31 H38 N2 O5 -","- C124 H152 N8 O20 -","4","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0773","0.0668","","","0.1531","0.1606","","","","","","1.11","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111535","10.1332","0.0018","10.5785","0.0019","21.19","0.004","90","","90","","90","","2271.4","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O3 -","- C27 H30 N2 O3 -","- C108 H120 N8 O12 -","4","1","","Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy","Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State","Journal of the American Chemical Society","2005","127","","3568","3576","10.1021/ja043999p","","","0.71073","MoKα","","0.0522","0.0414","","","0.0876","0.0924","","","","","","1.03","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4111550","8.5992","0.0004","17.5873","0.0007","18.796","0.0008","90","","90","","90","","2842.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 B3 Ru2 -","- C28 H42 B3 Ru2 -","- C112 H168 B12 Ru8 -","4","1","","Hong Yan; Bruce C. Noll; Thomas P. Fehlner","Cooperative Metal-Boron Interactions in the Reaction of nido-1,2-(Cp*RuH)2B3H7, Cp* = η5-C5Me5, with HC\τbCPh","Journal of the American Chemical Society","2005","127","","4831","4844","10.1021/ja042439n","","x-ray","0.71073","MoKα","","0.0503","0.042","","","0.1057","0.1115","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111592","10.0172","0.0012","11.2383","0.0014","15.6235","0.0019","90","","90","","90","","1758.8","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O7 -","- C17 H26 O7 -","- C68 H104 O28 -","4","1","","Jason C. Valentine; Frank E. McDonald; Wade A. Neiwert; Kenneth I. Hardcastle","Biomimetic Synthesis of trans,syn,trans-Fused Polyoxepanes: Remarkable Substituent Effects on the endo-Regioselective Oxacyclization of Polyepoxides","Journal of the American Chemical Society","2005","127","","4586","4587","10.1021/ja050013i","","","1.54178","CuKα","","0.1061","0.0888","","","0.2214","0.2303","","","","","","1.065","","","","has coordinates","178886","2020-10-21","18:00:00",""
"4111703","6.8229","0.0009","10.7754","0.0018","18.558","0.003","90","","90","","90","","1364.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Br N4 O5 -","- C11 H15 Br N4 O5 -","- C44 H60 Br4 N16 O20 -","4","1","","Frank Seela; Xiaohua Peng; Hong Li","Base-Pairing, Tautomerism, and Mismatch Discrimination of 7-Halogenated 7-Deaza-2'-deoxyisoguanosine: Oligonucleotide Duplexes with Parallel and Antiparallel Chain Orientation","Journal of the American Chemical Society","2005","127","","7739","7751","10.1021/ja0425785","","","0.71073","MoKα","","0.0659","0.0497","","","0.1206","0.1323","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111726","7.51","0.003","15.122","0.006","21.737","0.009","90","","90","","90","","2468.6","1.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-verticillyl p-iodobenzoate","(1S,3E,7E,11S,12S)-4,8,12,15,15-pentamethylbicyclo[9.3.1]pentadeca- 3,7-dien-12-yl 4-iodobenzoate","","- C27 H37 I O2 -","- C27 H37 I O2 -","- C108 H148 I4 O8 -","4","1","","Yinghua Jin; David C. Williams; Rodney Croteau; Robert M. Coates","Taxadiene Synthase-Catalyzed Cyclization of 6-Fluorogeranylgeranyl Diphosphate to 7-Fluoroverticillenes","Journal of the American Chemical Society","2005","127","","7834","7842","10.1021/ja050592r","","","0.71073","MoKα","","0.0682","0.0325","","","0.0532","0.0592","","","","","","0.88","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4111752","8.201","0.0008","22.308","0.002","24.79","0.002","90","","90","","90","","4535.3","0.7","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H68 N6 O8 -","- C44 H68 N6 O8 -","- C176 H272 N24 O32 -","4","1","","Monika Mazik; Hüseyin Cavga; Peter G. Jones","Molecular Recognition of Carbohydrates with Artificial Receptors: Mimicking the Binding Motifs Found in the Crystal Structures of Protein-Carbohydrate Complexes","Journal of the American Chemical Society","2005","127","","9045","9052","10.1021/ja043037i","","","0.71073","MoKα","","0.1091","0.0643","","","0.1357","0.1519","","","","","","0.982","","","","has coordinates,has disorder","178888","2020-10-21","18:00:00",""
"4111762","7.6487","0.0013","14.877","0.003","16.803","0.003","90","","90","","90","","1912","0.6","119","","119","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O -","- C22 H30 N2 O -","- C88 H120 N8 O4 -","4","1","","Szilárd Csihony; Darcy A. Culkin; Alan C. Sentman; Andrew P. Dove; Robert M. Waymouth; James L. Hedrick","Single-Component Catalyst/Initiators for the Organocatalytic Ring-Opening Polymerization of Lactide","Journal of the American Chemical Society","2005","127","","9079","9084","10.1021/ja050909n","","","0.71073","MoKα","","0.0699","0.0471","","","0.1088","0.122","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4111775","14.1027","0.0013","15.1314","0.0014","20.8888","0.0019","90","","90","","90","","4457.5","0.7","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53.29 H52.71 N2 O1.36 P2 Ru -","- C53.29 H52.71 N2 O1.355 P2 Ru -","- C213.16 H210.84 N8 O5.42 P8 Ru4 -","4","1","","Christine Bibal; Yegor D. Smurnyy; Maren Pink; Kenneth G. Caulton","Exceptionally Facile CO Addition to a Saturated Ruthenium Complex","Journal of the American Chemical Society","2005","127","","8944","8945","10.1021/ja051296h","","","0.71073","MoKα","","0.0339","0.0301","","","0.0717","0.0748","","","","","","1.104","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4111812","9.3554","0.0012","14.1121","0.0019","16.823","0.002","90","","90","","90","","2221","0.5","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 D6 F3 O6 Pd S -","- C20 H21 D6 F3 O6 Pd S -","- C80 H84 D24 F12 O24 Pd4 S4 -","4","1","","Daisuke Tanaka; Stuart P. Romeril; Andrew G. Myers","On the Mechanism of the Palladium(II)-Catalyzed Decarboxylative Olefination of Arene Carboxylic Acids. Crystallographic Characterization of Non-Phosphine Palladium(II) Intermediates and Observation of Their Stepwise Transformation in Heck-like Processes","Journal of the American Chemical Society","2005","127","","10323","10333","10.1021/ja052099l","","","0.71073","MoKα","","0.0351","0.033","","","0.0689","0.0697","","","","","","1.188","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111846","15.742","0.002","16.419","0.002","23.119","0.003","90","","90","","90","","5975.5","1.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C65 H66 Cl3 N7 Ni O8 -","- C65 H66 Cl3 N7 Ni O8 -","- C260 H264 Cl12 N28 Ni4 O32 -","4","1","","Fan Zhang; Shi Bai; Glenn P. A. Yap; Vinod Tarwade; Joseph M. Fox","Abiotic Metallofoldamers as Electrochemically Responsive Molecules","Journal of the American Chemical Society","2005","127","","10590","10599","10.1021/ja050886c","","","0.71073","MoKα","","0.0721","0.067","","","0.1811","0.1899","","","","","","1.06","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111847","15.745","0.003","15.865","0.003","24.245","0.005","90","","90","","90","","6056","2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H64 Cl6 Cu N6 O8 -","- C64 H64 Cl6 Cu N6 O8 -","- C256 H256 Cl24 Cu4 N24 O32 -","4","1","","Fan Zhang; Shi Bai; Glenn P. A. Yap; Vinod Tarwade; Joseph M. Fox","Abiotic Metallofoldamers as Electrochemically Responsive Molecules","Journal of the American Chemical Society","2005","127","","10590","10599","10.1021/ja050886c","","","0.71073","MoKα","","0.075","0.0595","","","0.1318","0.1418","","","","","","1.024","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111861","7.5263","0.0011","12.0867","0.0011","16.312","0.002","90","","90","","90","","1483.9","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 S2 -","- C14 H17 N O3 S2 -","- C56 H68 N4 O12 S8 -","4","1","","Evans, David A.; Thomson, Regan J.","Ni(II) Tol-BINAP-Catalyzed Enantioselective Orthoester Alkylations of N-Acylthiazolidinethiones","Journal of the American Chemical Society","2005","127","30","10506","10507","10.1021/ja053386s","","","0.71073","MoKα","","0.0287","0.0282","","","0.0656","0.0659","","","","","","1.189","","","","has coordinates","219220","2020-10-21","18:00:00",""
"4111863","8.935","0.001","13.87","0.002","25.228","0.007","90","","90","","90","","3126.5","1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Cl3 N3 O6 -","- C28 H36 Cl3 N3 O6 -","- C112 H144 Cl12 N12 O24 -","4","1","","Christiane Marti; Erick M. Carreira","Total Synthesis of (-)-Spirotryprostatin B: Synthesis and Related Studies","Journal of the American Chemical Society","2005","127","","11505","11515","10.1021/ja0518880","","","1.5418","CuKα","","0.0685","0.0608","","","0.1778","0.1902","","","","","","1.061","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111905","8.2042","0.0003","15.1998","0.0006","23.334","0.0009","90","","90","","90","","2909.8","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O3 S2 -","- C35 H33 N O3 S2 -","- C140 H132 N4 O12 S8 -","4","1","","José Luis García Ruano; José Alemán; Alejandro Parra","Highly Stereoselective Benzylation of N-Sulfinylketimines","Journal of the American Chemical Society","2005","127","","13048","13054","10.1021/ja0515203","","","1.54178","CuKα","","0.059","0.0408","","","0.0825","0.0898","","","","","","1.011","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111906","7.3349","0.0001","18.7236","0.0001","20.2187","0.0002","90","","90","","90","","2776.75","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N O3 S2 -","- C31 H33 N O3 S2 -","- C124 H132 N4 O12 S8 -","4","1","","José Luis García Ruano; José Alemán; Alejandro Parra","Highly Stereoselective Benzylation of N-Sulfinylketimines","Journal of the American Chemical Society","2005","127","","13048","13054","10.1021/ja0515203","","","1.54178","CuKα","","0.0278","0.0267","","","0.0697","0.0707","","","","","","1.051","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111930","8.4144","0.0005","13.3381","0.0008","15.0488","0.0009","90","","90","","90","","1688.96","0.17","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","Carvone-epoxyaziridine","(1aS,4S,5aS)-1a-methyl-4-(2R)-2-methyl-1-[(4-methylphenyl) sulfonyl]aziran-2-ylperhydro-1-benzoxiren-2-one","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C68 H84 N4 O16 S4 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0306","0.0291","","","0.0805","0.0818","","","","","","1.046","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111931","8.098","0.004","10.373","0.006","21.581","0.012","90","","90","","90","","1812.8","1.7","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","Thia-bicyclononane derivative","N1-[(1S,4R,5S,7R)-7-hydroxy-1,4-dimethyl-8-oxo-2-thiabicyclo[3.2.2] non-4-yl]-4-methyl-1-benzenesulfonamide","","- C17 H23 N O4 S2 -","- C17 H23 N O4 S2 -","- C68 H92 N4 O16 S8 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","","0.71073","MoKα","","0.0359","0.035","","","0.093","0.0938","","","","","","1.113","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111933","6.448","0.0008","14.3862","0.0018","22.735","0.003","90","","90","","90","","2108.9","0.5","296","2","296","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","Cyclic diaminosulfide","N1-((4R,5R)-5-[(4-methylphenyl)sulfonyl]amino-1,2-dithian-4-yl)- 4-methyl-1-benzenesulfonamide","","- C18 H22 N2 O4 S4 -","- C18 H22 N2 O4 S4 -","- C72 H88 N8 O16 S16 -","4","1","","Devarajulu Sureshkumar; Srinivasa Murthy Koutha; Srinivasan Chandrasekaran","Chemistry of Tetrathiomolybdate: Aziridine Ring Opening Reactions and Facile Synthesis of Interesting Sulfur Heterocycles","Journal of the American Chemical Society","2005","127","","12760","12761","10.1021/ja052969z","","x-ray","0.71073","MoKα","","0.068","0.0633","","","0.1333","0.1354","","","","","","1.254","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4111990","11.7119","0.0018","14.031","0.002","29.001","0.005","90","","90","","90","","4765.7","1.3","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 F6 N4 O13 Rh2 S2 -","- C34 H64 F6 N4 O13 Rh2 S2 -","- C136 H256 F24 N16 O52 Rh8 S8 -","4","1","","Yan Lou; Travis P. Remarchuk; E. J. Corey","Catalysis of Enantioselective [2+1]-Cycloaddition Reactions of Ethyl Diazoacetate and Terminal Acetylenes Using Mixed-Ligand Complexes of the Series Rh2(RCO2)n(L*4-n). Stereochemical Heuristics for Ligand Exchange and Catalyst Synthesis","Journal of the American Chemical Society","2005","127","","14223","14230","10.1021/ja052254w","","","0.71073","MoKα","","0.0798","0.0598","","","0.1271","0.1364","","","","","","1.025","","","","has coordinates,has disorder","178890","2020-10-21","18:00:00",""
"4112027","8.441","0.002","11.113","0.003","11.41","0.004","90","","90","","90","","1070.3","0.5","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Hélène Lebel; Kim Huard; Sylvain Lectard","N-Tosyloxycarbamates as a Source of Metal Nitrenes: Rhodium-Catalyzed C-H Insertion and Aziridination Reactions","Journal of the American Chemical Society","2005","127","","14198","14199","10.1021/ja0552850","","","1.54178","CuKα","","0.0336","0.0322","","","0.0932","0.0939","","","","","","1.072","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112060","25.478","0.003","25.873","0.003","26.538","0.003","90","","90","","90","","17494","4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(CB8)2*(ADMHM)2*(I,Cl)4*34H2O","(CB8)2*(ADMHM)2*(I,Cl)4*34H2O","","- C128 H231.26 Cl0.67 I3.33 N68 O66.3 -","- C128 H160 Cl0.668 I3.332 N68 O66.631 -","- C512 H640 Cl2.672 I13.328 N272 O266.524 -","4","1","","Simin Liu; Christian Ruspic; Pritam Mukhopadhyay; Sriparna Chakrabarti; Peter Y. Zavalij; Lyle Isaacs","The Cucurbit[n]uril Family: Prime Components for Self-Sorting Systems","Journal of the American Chemical Society","2005","127","","15959","15967","10.1021/ja055013x","","","0.71073","MoKα","","0.1367","0.0862","","","0.1937","0.2111","","","","","","1.001","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112067","5.4034","0.0001","8.6305","0.0003","26.9086","0.0008","90","","90","","90","","1254.86","0.06","120","1","120","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O S -","- C13 H20 O S -","- C52 H80 O4 S4 -","4","1","","Mauro Marigo; Tobias Schulte; Johan Franzén; Karl Anker Jørgensen","Asymmetric Multicomponent Domino Reactions and Highly Enantioselective Conjugated Addition of Thiols to α,β-Unsaturated Aldehydes","Journal of the American Chemical Society","2005","127","","15710","15711","10.1021/ja055291w","","x-ray","0.71073","MoKα","","0.0435","0.0321","","","0.0671","0.0713","","","","","","0.985","","","","has coordinates","178891","2020-10-21","18:00:00",""
"4112101","15.167","0.0014","17.366","0.0015","20.553","0.0008","90","","90","","90","","5413.5","0.7","153","2","153","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","H2FeC60Ph5Cp","","- C96 H31.6 Fe S2 -","- C96 H31.6 Fe S2 -","- C384 H126.4 Fe4 S8 -","4","1","","Yutaka Matsuo; Hiroyuki Isobe; Takatsugu Tanaka; Yasujiro Murata; Michihisa Murata; Koichi Komatsu; Eiichi Nakamura","Organic and Organometallic Derivatives of Dihydrogen-Encapsulated [60]Fullerene","Journal of the American Chemical Society","2005","127","","17148","17149","10.1021/ja056077a","","x-ray","0.71073","MoKα","","0.0743","0.0652","","","0.1661","0.1765","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112114","11.222","0.002","11.981","0.002","19.807","0.004","90","","90","","90","","2663.1","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H45 N10 P -","- C19 H45 N10 P -","- C76 H180 N40 P4 -","4","1","","Alexander A. Kolomeitsev; Ilmar A. Koppel; Toomas Rodima; Jan Barten; Enno Lork; Gerd-Volker Röschenthaler; Ivari Kaljurand; Agnes Kütt; Ivar Koppel; Vahur Mäemets; Ivo Leito","Guanidinophosphazenes: Design, Synthesis, and Basicity in THF and in the Gas Phase","Journal of the American Chemical Society","2005","127","","17656","17666","10.1021/ja053543n","","","0.71073","MoKα","","0.05","0.0403","","","0.099","0.1048","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112137","10.0002","0.0008","10.4496","0.0008","16.0871","0.001","90","","90","","90","","1681.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Olga García Mancheño; Ramón Gómez Arrayás; Juan C. Carretero","Chiral Copper Complexes of Phosphino Sulfenyl Ferrocenes as Efficient Catalysts for Enantioselective Formal Aza Diels-Alder Reactions of N-Sulfonyl Imines","Journal of the American Chemical Society","2004","126","","456","457","10.1021/ja038494y","","","1.54178","CuKα","","0.0304","0.0296","","","0.0849","0.0859","","","","","","1.073","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112141","17.991","0.0016","19.907","0.002","23.959","0.003","90","","90","","90","","8580.8","1.6","153","2","153","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C108 H69 Cl9 Si5 -","- C108 H69 Cl9 Si5 -","- C432 H276 Cl36 Si20 -","4","1","","Yutaka Matsuo; Ayako Muramatsu; Ryo Hamasaki; Norihiro Mizoshita; Takashi Kato; Eiichi Nakamura","Stacking of Molecules Possessing a Fullerene Apex and a Cup-Shaped Cavity Connected by a Silicon Connection","Journal of the American Chemical Society","2004","126","","432","433","10.1021/ja038816y","","x-ray","0.71073","MoKα","","0.0787","0.0654","","","0.1697","0.1826","","","","","","1.031","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112169","14.4368","0.0003","14.5844","0.0003","17.5169","0.0004","90","","90","","90","","3688.22","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl Mn2 N21 O5 -","- C24 H24 Cl Mn2 N21 O5 -","- C96 H96 Cl4 Mn8 N84 O20 -","4","1","","En-Qing Gao; Yan-Feng Yue; Shi-Qiang Bai; Zheng He; Chun-Hua Yan","From Achiral Ligands to Chiral Coordination Polymers: Spontaneous Resolution, Weak Ferromagnetism, and Topological Ferrimagnetism","Journal of the American Chemical Society","2004","126","","1419","1429","10.1021/ja039104a","","","0.71073","MoKα","","0.1077","0.0534","","","0.1369","0.1639","","","","","","1.014","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112192","11.5058","0.0009","15.0388","0.0012","16.7911","0.0013","90","","90","","90","","2905.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H56 B2 P2 Sn -","- C23 H56 B2 P2 Sn -","- C92 H224 B8 P8 Sn4 -","4","1","","Hideki Amii; Lidija Vranicar; Heinz Gornitzka; Didier Bourissou; Guy Bertrand","Radical-Type Reactivity of the 1,3-Dibora-2,4-Diphosphoniocyclobutane-1,3-diyl","Journal of the American Chemical Society","2004","126","","1344","1345","10.1021/ja039920i","","","0.71073","MoKα","","0.0238","0.0224","","","0.0561","0.0568","","","","","","1.024","","","","has coordinates","178892","2020-10-21","18:00:00",""
"4112213","5.5705","0.0004","11.978","0.001","21.431","0.003","90","","90","","90","","1430","0.3","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O2 -","- C15 H19 N O2 -","- C60 H76 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0578","","","","0.1601","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112220","5.6039","0.0003","11.836","0.001","24.532","0.003","90","","90","","90","","1627.2","0.3","203.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0477","","","","0.1314","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112222","11.8255","0.0005","24","0.001","5.9437","0.0002","90","","90","","90","","1686.89","0.12","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.058","","","","0.1597","","","","","","1.117","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112233","13.911","0.001","14.533","0.001","16.558","0.001","90","","90","","90","","3347.5","0.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound 2.(ca. 1.25H2O)","","","- C27 H38.5 B Ir N6 O10.25 -","- C27 H38 B Ir N6 O10.261 -","- C108 H152 B4 Ir4 N24 O41.044 -","4","1","","Margarita Paneque; Manuel L. Poveda; Nuria Rendón; Kurt Mereiter","Isolation of a Stable 1-Iridabicyclo[3.2.0]hepta-1,3,6-triene and Its Reversible Transformation into an Iridacycloheptatriene","Journal of the American Chemical Society","2004","126","","1610","1611","10.1021/ja0393527","","","0.71073","MoKα","","0.0381","0.0301","","","0.0682","0.0723","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112234","6.5819","0.0002","11.1635","0.0003","21.5458","0.0008","90","","90","","90","","1583.12","0.09","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.71069","MoKα","","0.0504","0.0454","","0.109","0.1052","","","","1.048","1.057","1.057","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112236","5.6107","0.0008","9.725","0.0016","25.856","0.004","90","","90","","90","","1410.8","0.4","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C64 H96 O8 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.7107","MoKα","","0.0525","0.044","","","0.0925","0.0972","","","","","","1.109","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112237","10.3569","0.0013","11.7844","0.0015","14.8684","0.0019","90","","90","","90","","1814.7","0.4","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.7107","MoKα","","0.0377","0.0343","","","0.0835","0.0858","","","","","","1.03","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112238","8.6523","0.0016","13.943","0.003","17.078","0.003","90","","90","","90","","2060.3","0.7","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","","Gary A. Molander; David J. St. Jean; Julia Haas","Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate","Journal of the American Chemical Society","2004","126","","1642","1643","10.1021/ja0398464","","","0.71069","MoKα","","0.0787","0.0656","","","0.1636","0.1764","","","","","","1.064","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112254","9.961","0.004","20.869","0.005","9.596","0.004","90","","90","","90","","1994.8","1.2","293","2","180","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O6 -","- C19 H32 O6 -","- C76 H128 O24 -","4","1","","Paul T. O'Sullivan; Wilm Buhr; Mary Ann M. Fuhry; Justin R. Harrison; John E. Davies; Neil Feeder; David R. Marshall; Jonathan W. Burton; Andrew B. Holmes","A Concise Synthesis of the Octalactins","Journal of the American Chemical Society","2004","126","","2194","2207","10.1021/ja038353w","","","0.71073","MoKα","","0.0792","0.0448","","0.0838","0.0755","","","","0.95","1.013","1.013","","","","","has coordinates","178893","2020-10-21","18:00:00",""
"4112306","4.6014","0.0004","15.5555","0.0013","16.5551","0.0013","90","","90","","90","","1184.97","0.17","273","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 S -","- C18 H10 S -","- C72 H40 S4 -","4","1","","Patrick M. Donovan; Lawrence T. Scott","Elaboration of Diaryl Ketones into Naphthalenes Fused on Two or Four Sides: A Naphthoannulation Procedure","Journal of the American Chemical Society","2004","126","","3108","3112","10.1021/ja038254i","","","0.71073","MoKα","","0.0468","0.0417","","","0.0932","0.0958","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112309","8.946","0.004","10","0.004","16.443","0.007","90","","90","","90","","1471","1.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DJM2471m","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Norihiro Ikemoto; David M. Tellers; Spencer D. Dreher; Jinchu Liu; Angie Huang; Nelo R. Rivera; Eugenia Njolito; Yi Hsiao; J. Christopher McWilliams; J. Michael Williams; Joseph D. Armstrong; Yongkui Sun; David J. Mathre; Edward J. J. Grabowski; Richard D. Tillyer","Highly Diastereoselective Heterogeneously Catalyzed Hydrogenation of Enamines for the Synthesis of Chiral β-Amino Acid Derivatives","Journal of the American Chemical Society","2004","126","","3048","3049","10.1021/ja038812t","","","0.71073","MoKα","","0.0415","0.0393","","","0.1044","0.1061","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112310","8.007","0.0012","10.4126","0.0016","22.468","0.003","90","","90","","90","","1873.2","0.5","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","djm2831m","","","- C18 H21 Cl N2 O3 -","- C18 H21 Cl N2 O3 -","- C72 H84 Cl4 N8 O12 -","4","1","","Norihiro Ikemoto; David M. Tellers; Spencer D. Dreher; Jinchu Liu; Angie Huang; Nelo R. Rivera; Eugenia Njolito; Yi Hsiao; J. Christopher McWilliams; J. Michael Williams; Joseph D. Armstrong; Yongkui Sun; David J. Mathre; Edward J. J. Grabowski; Richard D. Tillyer","Highly Diastereoselective Heterogeneously Catalyzed Hydrogenation of Enamines for the Synthesis of Chiral β-Amino Acid Derivatives","Journal of the American Chemical Society","2004","126","","3048","3049","10.1021/ja038812t","","","0.71073","MoKα","","0.0454","0.0371","","","0.0789","0.0815","","","","","","0.934","","","","has coordinates","178894","2020-10-21","18:00:00",""
"4112329","13.9323","0.0012","14.6573","0.0012","12.1926","0.0011","90","","90","","90","","2489.8","0.4","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dinickel aspartato-diaqua-oxide tetrahydrate","","- C4 H17 N Ni2 O11 -","- C4 N Ni2 O10 -","- C32 N8 Ni16 O80 -","8","2","","Ekaterina V. Anokhina; Allan J. Jacobson","[Ni2O(l-Asp)(H2O)2].4H2O: A Homochiral 1D Helical Chain Hybrid Compound with Extended Ni-O-Ni Bonding","Journal of the American Chemical Society","2004","126","","3044","3045","10.1021/ja031836f","powder diffraction","","1.5405","Kα~1~","","","","","","","","0.2784","","3.29","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4112356","9.262","0.0005","18.468","0.001","26.192","0.001","90","","90","","90","","4480.2","0.4","173.2","","173.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O -","- C15 H16 O -","- C240 H256 O16 -","16","4","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.7107","MoKα","","0.1001","0.042","","0.1054","","0.1054","","","0.868","","","0.868","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112367","9.8197","0.0003","10.4119","0.0003","13.0397","0.0003","90","","90","","90","","1333.2","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O -","- C17 H20 O -","- C68 H80 O4 -","4","1","","Dario Braga; Shuang Chen; Heather Filson; Lucia Maini; Matthew R. Netherton; Brian O. Patrick; John R. Scheffer; Carl Scott; Wujiong Xia","1,4-Hydroxybiradical Behavior Revealed through Crystal Structure-Solid-State Reactivity Correlations","Journal of the American Chemical Society","2004","126","","3511","3520","10.1021/ja039076w","","","0.71073","MoKα","","0.0824","0.0515","","","0.128","0.1439","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112414","10.5805","0.0007","12.4401","0.0008","18.6906","0.0012","90","","90","","90","","2460.1","0.3","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 Cl8 N2 Pd -","- C17 H28 Cl8 N2 Pd -","- C68 H112 Cl32 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0436","0.0332","","","0.0526","0.0538","","","","","","1.367","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4112416","12.3773","0.0002","13.1425","0.0002","18.706","0.0003","90","","90","","90","","3042.88","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Cl F6 N3 Pd Sb -","- C29 H41 Cl F6 N3 Pd Sb -","- C116 H164 Cl4 F24 N12 Pd4 Sb4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.045","0.0313","","","0.0489","0.0507","","","","","","1.165","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112418","9.2815","0.0003","11.4873","0.0004","15.1073","0.0005","90","","90","","90","","1610.73","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl2 N2 Pd -","- C15 H26 Cl2 N2 Pd -","- C60 H104 Cl8 N8 Pd4 -","4","1","","Raissa M. Trend; Brian M. Stoltz","An Experimentally Derived Model for Stereoselectivity in the Aerobic Oxidative Kinetic Resolution of Secondary Alcohols by (Sparteine)PdCl2","Journal of the American Chemical Society","2004","126","","4482","4483","10.1021/ja039551q","","","0.71073","MoKα","","0.0452","0.0317","","","0.0525","0.0542","","","","","","1.139","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112420","7.0496","0.0011","9.9887","0.0014","12.55","0.002","90","","90","","90","","883.7","0.2","123","2","123","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Trimethylphenylammonium hyperoxide","","- C9 H14 N O2 -","- C9 H14 N O2 -","- C36 H56 N4 O8 -","4","1","","Pascal D. C. Dietzel; Reinhard K. Kremer; Martin Jansen","Tetraorganylammonium Superoxide Compounds: Close to Unperturbed Superoxide Ions in the Solid State","Journal of the American Chemical Society","2004","126","","4689","4696","10.1021/ja039880i","","","0.71073","MoKα","","0.0633","0.0439","","","0.1057","0.1178","","","","","","1.051","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112423","13.8476","0.0009","14.5772","0.0009","20.3589","0.0013","90","","90","","90","","4109.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H48 B Fe P3 -","- C51 H48 B Fe P3 -","- C204 H192 B4 Fe4 P12 -","4","1","","Steven D. Brown; Jonas C. Peters","Hydrogenolysis of [PhBP3]Fe\τbN-p-tolyl: Probing the Reactivity of an Iron Imide with H2","Journal of the American Chemical Society","2004","126","","4538","4539","10.1021/ja0399122","","","0.71073","MoKα","","0.0937","0.0478","","","0.0629","0.0688","","","","","","1.13","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112427","14.7025","0.0013","16.3018","0.0014","25.56","0.002","90","","90","","90","","6126.1","0.9","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1(H2NNHMe)2","","","- C60 H94 Fe2 N8 S -","- C60 H94 Fe2 N8 S -","- C240 H376 Fe8 N32 S4 -","4","1","","Javier Vela; Sebastian Stoian; Christine J. Flaschenriem; Eckard Münck; Patrick L. Holland","A Sulfido-Bridged Diiron(II) Compound and Its Reactions with Nitrogenase-Relevant Substrates","Journal of the American Chemical Society","2004","126","","4522","4523","10.1021/ja049417l","","","0.71073","MoKα","","0.0613","0.0478","","","0.0944","0.0994","","","","","","1.111","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112431","15.7269","0.0002","15.763","0.0002","38.0222","0.0005","90","","90","","90","","9425.8","0.2","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H62 Cl18 Cu4 N24 O -","- C72 H62 Cl18 Cu4 N24 O -","- C288 H248 Cl72 Cu16 N96 O4 -","4","1","","Serhiy Demeshko; Sebastian Dechert; Franc Meyer","Anion-π Interactions in a Carousel Copper(II)-Triazine Complex","Journal of the American Chemical Society","2004","126","","4508","4509","10.1021/ja049458h","","","0.71073","MoKα","","0.0566","0.0509","","","0.1241","0.1267","","","","","","1.081","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112449","7.2103","0.0014","18.185","0.004","20.516","0.004","90","","90","","90","","2690","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","{Me2NN]Co=NAd","","","- C31 H40 Co N3 -","- C31 H40 Co N3 -","- C124 H160 Co4 N12 -","4","1","","Xuliang Dai; Pooja Kapoor; Timothy H. Warren","[Me2NN]Co(η6-toluene): OO, NN, and ON Bond Cleavage Provides β-Diketiminato Cobalt μ-Oxo and Imido Complexes","Journal of the American Chemical Society","2004","126","","4798","4799","10.1021/ja036308i","","","0.71073","MoKα","","0.129","0.0494","","","0.074","0.0874","","","","","","0.821","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112451","13.038","0.001","16.812","0.001","22.199","0.002","90","","90","","90","","4865.9","0.6","200","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H19 Cl2 F20 I O2 P2 Ru -","- C50 H19 Cl2 F20 I O2 P2 Ru -","- C200 H76 Cl8 F80 I4 O8 P8 Ru4 -","4","1","","Valérie Alezra; Gérald Bernardinelli; Clémence Corminboeuf; Urban Frey; E. Peter Kündig; André E. Merbach; Christophe M. Saudan; Florian Viton; Jacques Weber","[CpRu((R)-Binop-F)(H2O)][SbF6], a New Fluxional Chiral Lewis Acid Catalyst: Synthesis, Dynamic NMR, Asymmetric Catalysis, and Theoretical Studies","Journal of the American Chemical Society","2004","126","","4843","4853","10.1021/ja0374123","","","1.5418","CuKα","","","0.043","","","","0.042","","","","","","1.81","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112452","13.4024","0.0007","19.3137","0.001","24.1839","0.0015","90","","90","","90","","6260","0.6","200","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H33 F26 O4 P2 Ru Sb -","- C56 H33 F26 O4 P2 Ru Sb -","- C224 H132 F104 O16 P8 Ru4 Sb4 -","4","1","","Valérie Alezra; Gérald Bernardinelli; Clémence Corminboeuf; Urban Frey; E. Peter Kündig; André E. Merbach; Christophe M. Saudan; Florian Viton; Jacques Weber","[CpRu((R)-Binop-F)(H2O)][SbF6], a New Fluxional Chiral Lewis Acid Catalyst: Synthesis, Dynamic NMR, Asymmetric Catalysis, and Theoretical Studies","Journal of the American Chemical Society","2004","126","","4843","4853","10.1021/ja0374123","","","0.71073","MoKα","","","0.042","","","","0.047","","","","","","1.62","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112459","10.8741","0.0011","11.9789","0.0012","13.343","0.0014","90","","90","","90","","1738.1","0.3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[(bpb)Fe(NO)(NO2)]","","","- C18 H12 Fe N6 O5 -","- C18 H12 Fe N6 O5 -","- C72 H48 Fe4 N24 O20 -","4","1","","Apurba K. Patra; Michael J. Rose; Marilyn M. Olmstead; Pradip K. Mascharak","Reactions of Nitric Oxide with a Low-Spin Fe(III) Center Ligated to a Tetradentate Dicarboxamide N4 Ligand: Parallels between Heme and Non-heme Systems","Journal of the American Chemical Society","2004","126","","4780","4781","10.1021/ja040015n","","","0.71073","MoKα","","0.0532","0.0351","","","0.0731","0.081","","","","","","1.007","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112463","7.055","0.002","15.043","0.005","17.448","0.006","90","","90","","90","","1851.7","1","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O6 S -","- C19 H25 N O6 S -","- C76 H100 N4 O24 S4 -","4","1","","Masaki Kita; Mikiko Kondo; Tomoyuki Koyama; Kaoru Yamada; Tsuyosi Matsumoto; Kun-Hyung Lee; Je-Tae Woo; Daisuke Uemura","Symbioimine Exhibiting Inhibitory Effect of Osteoclast Differentiation, from the Symbiotic Marine Dinoflagellate Symbiodinium sp.","Journal of the American Chemical Society","2004","126","","4794","4795","10.1021/ja049277f","","","0.7107","MoKα","","","0.0607","","","","0.0829","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112464","7.995","0.005","9.113","0.006","30.058","0.019","90","","90","","90","","2190","2","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 Br O3 Si -","- C21 H33 Br O3 Si -","- C84 H132 Br4 O12 Si4 -","4","1","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0707","0.0605","","","0.1048","0.1076","","","","","","1.196","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112466","6.6219","0.0011","10.9783","0.0018","14.434","0.002","90","","90","","90","","1049.3","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C44 H44 Br4 O12 -","4","1","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0324","0.0267","","","0.0542","0.0571","","","","","","1.023","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112467","8.6784","0.0011","12.7229","0.0019","33.26","0.005","90","","90","","90","","3672.4","0.9","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19.5 Br O4.25 -","- C18 H19.5 Br O4.25 -","- C144 H156 Br8 O34 -","8","2","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.1941","0.061","","","0.118","0.1356","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112468","6.8313","0.0016","14.053","0.004","17.472","0.004","90","","90","","90","","1677.3","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br O5 -","- C18 H17 Br O5 -","- C72 H68 Br4 O20 -","4","1","","Do Hyun Ryu; Gang Zhou; E. J. Corey","Enantioselective and Structure-Selective Diels-Alder Reactions of Unsymmetrical Quinones Catalyzed by a Chiral Oxazaborolidinium Cation. Predictive Selection Rules","Journal of the American Chemical Society","2004","126","","4800","4802","10.1021/ja049323b","","","0.71073","MoKα","","0.0442","0.0323","","","0.0573","0.0587","","","","","","1.041","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112471","13.376","0.004","13.626","0.006","32.675","0.011","90","","90","","90","","5955","4","294","","294","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42.29 Cl N P2 Rh -","- C27 H42.295 Cl N P2 Rh -","- C216 H338.36 Cl8 N8 P16 Rh8 -","8","2","","Oleg V. Ozerov; Chengyun Guo; Vyacheslav A. Papkov; Bruce M. Foxman","Facile Oxidative Addition of N-C and N-H Bonds to Monovalent Rhodium and Iridium","Journal of the American Chemical Society","2004","126","","4792","4793","10.1021/ja049659l","","","0.71073","MoKα","","0.0955","0.0584","","0.1145","0.0609","0.0609","","","","","","1.1445","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112472","13.339","0.002","13.873","0.002","32.296","0.006","90","","90","","90","","5976.4","1.7","294","","294","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H86 Cl2 N2 P4 Rh2 -","- C54 H83 Cl2 N2 P4 Rh2 -","- C216 H332 Cl8 N8 P16 Rh8 -","4","1","","Oleg V. Ozerov; Chengyun Guo; Vyacheslav A. Papkov; Bruce M. Foxman","Facile Oxidative Addition of N-C and N-H Bonds to Monovalent Rhodium and Iridium","Journal of the American Chemical Society","2004","126","","4792","4793","10.1021/ja049659l","","","0.71073","MoKα","","0.2245","0.0888","","0.1332","0.0497","0.0497","","","","","","1.1685","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112481","15.1983","0.0011","19.7491","0.0015","35.841","0.003","90","","90","","90","","10757.8","1.4","190","2","190","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 O17 P2 Pd2 Ru6 -","- C42 H54 O17 P2 Pd2 Ru6 -","- C336 H432 O136 P16 Pd16 Ru48 -","8","2","","Richard D. Adams; Burjor Captain; Wei Fu; Michael B. Hall; Josiah Manson; Mark D. Smith; Charles Edwin Webster","Bimetallic Cluster Complexes: The Synthesis, Structures, and Bonding of Ruthenium Carbonyl Cluster Complexes Containing Palladium and Platinum with the Bulky Tri-tert-butyl-phosphine Ligand","Journal of the American Chemical Society","2004","126","","5253","5267","10.1021/ja039541p","","","0.71073","MoKα","","0.0329","0.0296","","","0.0559","0.0567","","","","","","0.951","","","","has coordinates","178895","2020-10-21","18:00:00",""
"4112524","9.4421","0.0012","18.289","0.002","55.173","0.007","90","","90","","90","","9528","2","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cl4 P2 Pt Sn -","- C29 H30 Cl4 P2 Pt Sn -","- C348 H360 Cl48 P24 Pt12 Sn12 -","12","3","","Charles P. Casey; Susie C. Martins; Maureen A. Fagan","Reversal of Enantioselectivity in the Hydroformylation of Styrene with [2S,4S-BDPP]Pt(SnCl3)Cl at High Temperature Arises from a Change in the Enantioselective-Determining Step","Journal of the American Chemical Society","2004","126","","5585","5592","10.1021/ja0318479","","","0.71073","MoKα","","0.2092","0.0856","","","0.1649","0.204","","","","","","0.981","","","","has coordinates,has disorder","178896","2020-10-21","18:00:00",""
"4112528","7.6096","0.0006","8.7046","0.0007","21.8164","0.0018","90","","90","","90","","1445.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","","Aaron Wrobleski; Kiran Sahasrabudhe; Jeffrey Aubé","Asymmetric Total Synthesis of Dendrobatid Alkaloids: Preparation of Indolizidine 251F and Its 3-Desmethyl Analogue Using an Intramolecular Schmidt Reaction Strategy","Journal of the American Chemical Society","2004","126","","5475","5481","10.1021/ja0320018","","","0.71073","MoKα","","0.0466","0.0419","","","0.1015","0.1047","","","","","","1.047","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112531","11.883","0.002","21.427","0.004","28.346","0.006","90","","90","","90","","7217","2","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C89 H66 Ag Cl1.75 F0 O4 P4 S -","- C88.96 H65.73 Ag Cl1.895 O4 P4 S -","- C355.84 H262.92 Ag4 Cl7.58 O16 P16 S4 -","4","1","","Norie Momiyama; Hisashi Yamamoto","Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity","Journal of the American Chemical Society","2004","126","","5360","5361","10.1021/ja039103i","","","0.71073","MoKα","","0.048","0.0462","","","0.1092","0.1102","","","","","","1.152","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112532","11.122","0.002","16.334","0.003","24.032","0.005","90","","90","","90","","4365.8","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H32 Ag2 F6 O6 P2 S2 -","- C46 H32 Ag2 F6 O6 P2 S2 -","- C184 H128 Ag8 F24 O24 P8 S8 -","4","1","","Norie Momiyama; Hisashi Yamamoto","Enantioselective O- and N-Nitroso Aldol Synthesis of Tin Enolates. Isolation of Three BINAP-Silver Complexes and Their Role in Regio- and Enantioselectivity","Journal of the American Chemical Society","2004","126","","5360","5361","10.1021/ja039103i","","","0.71073","MoKα","","0.0348","0.0317","","","0.0752","0.0761","","","","","","1.031","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112550","10.019","0.003","12.966","0.004","23.814","0.009","90","","90","","90","","3093.6","1.8","223","2","223","2","","","","","","","synthesized by the authors, see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N2 O8 -","- C32 H42 N2 O8 -","- C128 H168 N8 O32 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0696","0.0498","","0.1235","","0.1138","","","0.904","","","1.029","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112551","6.335","0.003","9.404","0.002","34.399","0.009","90","","90","","90","","2049.3","1.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl N O4 -","- C18 H30 Cl N O4 -","- C72 H120 Cl4 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0769","0.0438","","","0.0986","0.1102","","","","","","0.725","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112552","7.527","0.003","12.89","0.006","18.219","0.007","90","","90","","90","","1767.7","1.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Cl N O4 -","- C16 H26 Cl N O4 -","- C64 H104 Cl4 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0399","0.0358","","","0.0935","0.0957","","","","","","1.015","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112553","6.54","0.003","13.811","0.005","19.763","0.007","90","","90","","90","","1785.1","1.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Cl N O4 -","- C16 H26 Cl N O4 -","- C64 H104 Cl4 N4 O16 -","4","1","","Stephen Hanessian; Martin Tremblay; Jens F. W. Petersen","The N-Acyloxyiminium Ion Aza-Prins Route to Octahydroindoles: Total Synthesis and Structural Confirmation of the Antithrombotic Marine Natural Product Oscillarin","Journal of the American Chemical Society","2004","126","","6064","6071","10.1021/ja030669g","","","1.54178","CuKα","","0.0519","0.035","","","0.0777","0.0832","","","","","","0.802","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112560","9.4271","0.0012","9.8702","0.0012","18.813","0.002","90","","90","","90","","1750.5","0.4","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","","Qi-Ying Hu; Pankaj D. Rege; E. J. Corey","Simple, Catalytic Enantioselective Syntheses of Estrone and Desogestrel","Journal of the American Chemical Society","2004","126","","5984","5986","10.1021/ja048808x","","","0.71073","MoKα","","0.0477","0.0372","","","0.0766","0.0798","","","","","","1.011","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112561","9.4733","0.0004","11.9166","0.0005","17.5861","0.0008","90","","90","","90","","1985.29","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 F7 Ir P -","- C17 H27 F7 Ir P -","- C68 H108 F28 Ir4 P4 -","4","1","","Russell P. Hughes; Donghui Zhang; Antony J. Ward; Lev N. Zakharov; Arnold L. Rheingold","Conformational Analysis and Assignments of Relative Stereocenter Configurations in Fluoroalkyl-Iridium Complexes Using 19F{1H} HOESY Experiments. Comparison with Solid-State X-ray Structural Results","Journal of the American Chemical Society","2004","126","","6169","6178","10.1021/ja049225q","","","0.71073","MoKα","","0.052","0.0507","","","0.1175","0.1184","","","","","","1.124","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112589","8.4206","0.0014","11.8965","0.0019","20.622","0.003","90","","90","","90","","2065.8","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C92 H100 N4 O20 -","4","1","","Leleti Rajender Reddy; P. Saravanan; E. J. Corey","A Simple Stereocontrolled Synthesis of Salinosporamide A","Journal of the American Chemical Society","2004","126","","6230","6231","10.1021/ja048613p","","","0.71073","MoKα","","0.1193","0.0411","","","0.0441","0.0544","","","","","","0.774","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112593","5.0446","0.0008","9.8623","0.0016","31.428","0.005","90","","90","","90","","1563.6","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N O7 -","- C12 H23 N O7 -","- C48 H92 N4 O28 -","4","1","","K. C. Nicolaou; Scott A. Snyder; Annie Z. Nalbandian; Deborah A. Longbottom","A New Method for the Stereoselective Synthesis of α- and β-Glycosylamines Using the Burgess Reagent","Journal of the American Chemical Society","2004","126","","6234","6235","10.1021/ja049293c","","","0.71073","MoKα","","0.101","0.0529","","","0.1169","0.1377","","","","","","1.023","","","","has coordinates","178896","2020-10-21","18:00:00",""
"4112614","7.7333","0.0005","11.6472","0.0008","32.483","0.002","90","","90","","90","","2925.8","0.3","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 Co N7 O8 -","- C20 H41 Co N7 O8 -","- C80 H164 Co4 N28 O32 -","4","1","","Hiroyuki Miyake; Kana Yoshida; Hideki Sugimoto; Hiroshi Tsukube","Dynamic Helicity Inversion by Achiral Anion Stimulus in Synthetic Labile Cobalt(II) Complex","Journal of the American Chemical Society","2004","126","","6524","6525","10.1021/ja049130o","","","0.7107","MoKα","","","0.0495","","","","0.1027","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112624","9.8665","0.0015","12.1832","0.0018","16.897","0.003","90","","90","","90","","2031.1","0.6","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Jason J. Shiers; Michael Shipman; Jerome F. Hayes; Alexandra M. Z. Slawin","Rare Example of Nucleophilic Substitution at Vinylic Carbon with Inversion: Mechanism of Methyleneaziridine Formation by Sodium Amide Induced Ring Closure Revisited","Journal of the American Chemical Society","2004","126","","6868","6869","10.1021/ja0482684","","","0.71073","MoKα","","0.0506","0.0368","","","0.0763","0.0812","","","","","","0.99","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112628","17.3108","0.0007","18.1981","0.0009","40.7902","0.0013","90","","90","","90","","12849.9","0.9","293.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C152 H112.5 F6 N O4.25 P -","- C152 H102 F6 N O4.25 P -","- C608 H408 F24 N4 O17 P4 -","4","1","","Takashi Ooi; Daisuke Ohara; Masazumi Tamura; Keiji Maruoka","Design of New Chiral Phase-Transfer Catalysts with Dual Functions for Highly Enantioselective Epoxidation of α,β-Unsaturated Ketones","Journal of the American Chemical Society","2004","126","","6844","6845","10.1021/ja048600b","","","0.7107","MoKα","","","0.081","","","","0.12","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4112657","10.143","0.002","11.246","0.002","18.721","0.004","90","","90","","90","","2135.5","0.7","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N2 O4 -","- C18 H33 N2 O4 -","- C72 H132 N8 O16 -","4","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0833","0.0642","","","0.1708","0.1824","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112658","10.225","0.002","11.534","0.002","18.169","0.004","90","","90","","90","","2142.8","0.7","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 N2 O3 -","- C18 H34 N2 O3 -","- C72 H136 N8 O12 -","4","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0729","0.0473","","","0.1249","0.133","","","","","","0.963","","","","has coordinates,has disorder","178897","2020-10-21","18:00:00",""
"4112659","5.62","0.001","13.03","0.002","23.463","0.003","90","","90","","90","","1718.2","0.5","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N2 O4 -","- C16 H22.5 N2 O4 -","- C64 H90 N8 O16 -","4","1","","Dan Yang; Yu-Hui Zhang; Bing Li; Dan-Wei Zhang; Jenny Chun-Yu Chan; Nian-Yong Zhu; Shi-Wei Luo; Yun-Dong Wu","Effect of Side Chains on Turns and Helices in Peptides of β3-Aminoxy Acids","Journal of the American Chemical Society","2004","126","","6956","6966","10.1021/ja049976s","","","0.71073","MoKα","","0.0603","0.051","","","0.1507","0.1641","","","","","","1.122","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112666","6.0201","0.0003","8.1669","0.0004","39.57","0.002","90","","90","","90","","1945.48","0.17","158.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O S -","- C24 H23 N O S -","- C96 H92 N4 O4 S4 -","4","1","","Reema K. Thalji; Jonathan A. Ellman; Robert G. Bergman","Highly Efficient and Enantioselective Cyclization of Aromatic Imines via Directed C-H Bond Activation","Journal of the American Chemical Society","2004","126","","7192","7193","10.1021/ja0394986","","","0.7107","MoKα","","","0.0469","","","","0.0531","","","","","","2.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112672","10.014","0.002","13.707","0.003","19.626","0.004","90","","90","","90","","2693.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H24 N2 S2 -","- C34 H24 N2 S2 -","- C136 H96 N8 S8 -","4","1","","Xiaohua Sun; Congyang Wang; Zhiping Li; Shiwei Zhang; Zhenfeng Xi","Zirconocene-Mediated Intermolecular Coupling of One Molecule of Si-Tethered Diyne with Three Molecules of Organonitriles: One-Pot Formation of Pyrrolo[3,2-c]pyridine Derivatives via Cleavage of C\τbN Triple Bonds of Organonitriles","Journal of the American Chemical Society","2004","126","","7172","7173","10.1021/ja0497173","","","0.71073","MoKα","","0.0793","0.0351","","","0.0552","0.0594","","","","","","0.848","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112676","14.362","0.001","14.835","0.001","19.622","0.001","90","","90","","90","","4180.7","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","complex 4","","","- C49 H51 B N4 S Zn -","- C49 H51 B N4 S Zn -","- C196 H204 B4 N16 S4 Zn4 -","4","1","","Derek C. Fox; Adam T. Fiedler; Heather L. Halfen; Thomas C. Brunold; Jason A. Halfen","Electronic Structure Control of the Nucleophilicity of Transition Metal-Thiolate Complexes: An Experimental and Theoretical Study","Journal of the American Chemical Society","2004","126","","7627","7638","10.1021/ja039419q","","","0.71073","MoKα","","0.114","0.0487","","","0.0777","0.0918","","","","","","1.014","","","","has coordinates","178897","2020-10-21","18:00:00",""
"4112700","5.166","0.005","11.04","0.01","24.94","0.03","90","","90","","90","","1422","3","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O4 -","- C12 H21 N O4 -","- C48 H84 N4 O16 -","4","1","","Tomoaki Hamada; Kei Manabe; Shū Kobayashi","Enantio- and Diastereoselective, Stereospecific Mannich-Type Reactions in Water","Journal of the American Chemical Society","2004","126","","7768","7769","10.1021/ja048607t","","","0.7107","MoKα","","","0.024","","","","0.053","","","","","","0.82","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112708","9.8866","0.001","16.8619","0.0016","19.8088","0.0019","90","","90","","90","","3302.3","0.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","W(O)(Cl)(N[i-Pr]Ar)3","","","- C33 H48 Cl N3 O W -","- C33 H48 Cl N3 O W -","- C132 H192 Cl4 N12 O4 W4 -","4","1","","Christopher R. Clough; Jane B. Greco; Joshua S. Figueroa; Paula L. Diaconescu; William M. Davis; Christopher C. Cummins","Organic Nitriles from Acid Chlorides: An Isovalent N for (O)Cl Exchange Reaction Mediated by a Tungsten Nitride Complex","Journal of the American Chemical Society","2004","126","","7742","7743","10.1021/ja0492438","","","0.71073","MoKα","","0.0188","0.0181","","","0.0418","0.0421","","","","","","1.101","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112763","14.346","0.0007","14.583","0.0014","32.122","0.003","90","","90","","90","","6720.2","1","193","2","193","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","RhC60Me5CNPh3codTHF3","","- C104 H66 N O3 Rh -","- C104 H66 N O3 Rh -","- C416 H264 N4 O12 Rh4 -","4","1","","Yutaka Matsuo; Kazukuni Tahara; Masaya Sawamura; Eiichi Nakamura","Creation of Hoop- and Bowl-Shaped Benzenoid Systems by Selective Detraction of [60]Fullerene Conjugation. [10]Cyclophenacene and Fused Corannulene Derivatives","Journal of the American Chemical Society","2004","126","","8725","8734","10.1021/ja048683w","","x-ray","0.71073","MoKα","","0.0955","0.0789","","","0.1981","0.2162","","","","","","1.041","","","","has coordinates,has disorder","178898","2020-10-21","18:00:00",""
"4112776","10.2661","0.0018","20.534","0.004","25.037","0.004","90","","90","","90","","5277.9","1.6","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H48 F6 N6 O10 Rh2 S2 -","- C46 H48 F6 N6 O10 Rh2 S2 -","- C184 H192 F24 N24 O40 Rh8 S8 -","4","1","","Yan Lou; Manabu Horikawa; Robin A. Kloster; Natalie A. Hawryluk; E. J. Corey","A New Chiral Rh(II) Catalyst for Enantioselective [2 + 1]-Cycloaddition. Mechanistic Implications and Applications","Journal of the American Chemical Society","2004","126","","8916","8918","10.1021/ja047064k","","","0.71073","MoKα","","0.084","0.078","","","0.1246","0.1262","","","","","","1.411","","","","has coordinates","178898","2020-10-21","18:00:00",""
"4112802","5.2013","0.0005","16.6336","0.0015","20.8923","0.0018","90","","90","","90","","1807.5","0.3","160","2","160","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Andrew P. Bassett; Steven W. Magennis; Peter B. Glover; David J. Lewis; Neil Spencer; Simon Parsons; René M. Williams; Luisa De Cola; Zoe Pikramenou","Highly Luminescent, Triple- and Quadruple-Stranded, Dinuclear Eu, Nd, and Sm(III) Lanthanide Complexes Based on Bis-Diketonate Ligands","Journal of the American Chemical Society","2004","126","","9413","9424","10.1021/ja048022z","","","0.6875","","","0.1018","0.0793","","","0.2061","0.2499","","","","","","1.102","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4112813","12.072","0.0003","21.567","0.001","24.25","0.0011","90","","90","","90","","6313.7","0.4","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetrakis(tetrahydrofuran)lithium(I) 1,1,4,4-tetra-tert-butyl -2,3-Tetrakis[di-tert-butyl(methyl)silyl]-1,4-dimethyltetrasilane-2-yl-3-ide","","- C52 H116 Li O4 Si6 -","- C52 H116 Li O4 Si6 -","- C208 H464 Li4 O16 Si24 -","4","1","","Akira Sekiguchi; Shigeyoshi Inoue; Masaaki Ichinohe; Yoriko Arai","Isolable Anion Radical of Blue Disilene (tBu2MeSi)2SiSi(SiMetBu2)2 Formed upon One-Electron Reduction: Synthesis and Characterization","Journal of the American Chemical Society","2004","126","","9626","9629","10.1021/ja040079y","","","0.7107","MoKα","","0.0671","0.0526","","","0.1388","0.1514","","","","","","1.027","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112829","8.4457","0.0017","8.5608","0.0017","10.075","0.002","90","","90","","90","","728.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N2 O4 -","- C6 H10 N2 O4 -","- C24 H40 N8 O16 -","4","1","","Greg Springsteen; Gerald F. Joyce","Selective Derivatization and Sequestration of Ribose from a Prebiotic Mix","Journal of the American Chemical Society","2004","126","","9578","9583","10.1021/ja0483692","","","0.71073","MoKα","","0.0284","0.0281","","","0.0728","0.0731","","","","","","1.062","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112830","9.778","0.002","14.647","0.004","7.0557","0.0006","90","","90","","90","","1010.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(pyridine-3-carbonyl)thiazolidin-2-thione","","- C9 H8 N2 O S2 -","- C9 H8 N2 O S2 -","- C36 H32 N8 O4 S8 -","4","1","","Shinji Yamada; Tomoko Misono; Seiji Tsuzuki","Cation-π Interactions of a Thiocarbonyl Group and a Carbonyl Group with a Pyridinium Nucleus","Journal of the American Chemical Society","2004","126","","9862","9872","10.1021/ja0490119","","","1.54178","CuKα","","0.0493","0.0447","","0.1348","0.1306","","","","0.803","0.8","0.8","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4112858","8.3031","0.0012","13.308","0.0019","16.049","0.002","90","","90","","90","","1773.4","0.4","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 P2 S2 -","- C16 H24 P2 S2 -","- C64 H96 P8 S8 -","4","1","","Garrett Hoge","Stereoselective Cyclization and Pyramidal Inversion Strategies for P-Chirogenic Phospholane Synthesis","Journal of the American Chemical Society","2004","126","","9920","9921","10.1021/ja048079l","","","0.71073","MoKα","","0.1024","0.0603","","","0.121","0.1384","","","","","","1.006","","","","has coordinates","178899","2020-10-21","18:00:00",""
"4112944","9.0518","0.0007","12.5611","0.0007","29.0084","0.0015","90","","90","","90","","3298.3","0.4","173","","173","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Br4 Cd2 N3 O4 -","- C27 H27 Br4 Cd2 N3 O4 -","- C108 H108 Br16 Cd8 N12 O16 -","4","1","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Helical, Nonracemic Inorganic-Organic Hybrid Polymers of Cadmium Halides with Pentadentate Bis(oxazoline) Ligands","Journal of the American Chemical Society","2004","126","","11426","11427","10.1021/ja0469784","","","0.71073","MoKα","","0.0588","0.0344","","","0.0634","0.0684","","","","","","0.82","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112974","7.4661","0.0012","11.4751","0.0017","28.238","0.004","90","","90","","90","","2419.3","0.6","115","2","115","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N3 -","- C30 H37 N3 -","- C120 H148 N12 -","4","1","","Steven A. Raw; Richard J. K. Taylor","Cascade Reactions of Substituted 1,2,4-Triazines: Rapid Access to Nitrogen-Containing Polycycles","Journal of the American Chemical Society","2004","126","","12260","12261","10.1021/ja045780g","","","0.71073","MoKα","","0.051","0.0351","","","0.0745","0.0807","","","","","","1","","","","has coordinates,has disorder","178900","2020-10-21","18:00:00",""
"4112975","10.1626","0.0009","21.9774","0.0019","34.178","0.003","90","","90","","90","","7633.6","1.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-1-tert-Butyldiphenylsilyloxy-3-(3'-methyl-3'H-imidazol-4'-yl)- 2-(2"",4"",6""-triisopropylbenzenesulfonylamino)propane","","- C38 H53 N3 O3 S Si -","- C38 H53 N3 O3 S Si -","- C304 H424 N24 O24 S8 Si8 -","8","2","","Kazuaki Ishihara; Yuji Kosugi; Matsujiro Akakura","Rational Design of anl-Histidine-Derived Minimal Artificial Acylase for the Kinetic Resolution of Racemic Alcohols","Journal of the American Chemical Society","2004","126","","12212","12213","10.1021/ja045850j","","","0.71073","MoKα","","0.0878","0.0627","","","0.1565","0.1716","","","","","","1.079","","","","has coordinates","178900","2020-10-21","18:00:00",""
"4112986","5.7405","0.0018","7.694","0.002","21.165","0.006","90","","90","","90","","934.8","0.5","240","0.2","240","0.2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","Diphenyl ether","Diphenyl ether","","- C12 H10 O -","- C12 H10 O -","- C48 H40 O4 -","4","1","","Angshuman R. Choudhury; Kabirul Islam; Michael T. Kirchner; Goverdhan Mehta; Tayur N. Guru Row","In Situ Cryocrystallization of Diphenyl Ether: C-H...π Mediated Polymorphic Forms","Journal of the American Chemical Society","2004","126","","12274","12275","10.1021/ja046134k","","","0.71073","MoKα","","0.0356","0.0318","","","0.077","0.0793","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113011","12.0307","0.0007","12.9556","0.0007","13.9502","0.0008","90","","90","","90","","2174.3","0.2","156.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl2 N2 O2 Rh -","- C20 H29 Cl2 N2 O2 Rh -","- C80 H116 Cl8 N8 O8 Rh4 -","4","1","","Jennifer R. Krumper; Michael Gerisch; Alessandra Magistrato; Ursula Rothlisberger; Robert G. Bergman; T. Don Tilley","Unusual Ar-H/Rh-H JHH NMR Coupling in Complexes of Rhodium(III): Experimental Evidence and Theoretical Support for an η1-Arene Structure","Journal of the American Chemical Society","2004","126","","12492","12502","10.1021/ja047665b","","","0.7107","MoKα","","","0.0204","","","","0.0219","","","","","","0.795","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113024","6.7048","0.0013","13.522","0.003","19.685","0.004","90","","90","","90","","1784.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N2 O4 -","- C21 H18 N2 O4 -","- C84 H72 N8 O16 -","4","1","","Satyamaheshwar Peddibhotla; Jetze J. Tepe","Stereoselective Synthesis of Highly Substituted Δ1-Pyrrolines: exo-Selective 1,3-Dipolar Cycloaddition Reactions with Azlactones","Journal of the American Chemical Society","2004","126","","12776","12777","10.1021/ja046149i","","","0.71073","MoKα","","0.055","0.0383","","","0.1027","0.1149","","","","","","0.833","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4113063","13.2635","0.001","17.8218","0.0014","21.0178","0.0017","90","","90","","90","","4968.2","0.7","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 Cl N4 Rh -","- C23 H40 Cl N4 Rh -","- C184 H320 Cl8 N32 Rh8 -","8","2","","Manuel Alcarazo; Stephen J. Roseblade; Emma Alonso; Rosario Fernández; Eleuterio Alvarez; Fernando J. Lahoz; José M. Lassaletta","1,3-Bis(N,N-dialkylamino)imidazolin-2-ylidenes: Synthesis and Reactivity of a New Family of Stable N-Heterocyclic Carbenes","Journal of the American Chemical Society","2004","126","","13242","13243","10.1021/ja0471119","","","0.71073","MoKα","","0.0434","0.0308","","","0.0762","0.0825","","","","","","1.023","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113077","9.5709","0.0015","17.391","0.003","20.501","0.003","90","","90","","90","","3412.3","0.9","173.5","","173.5","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H51 Mo N2 O3 P -","- C34 H51 Mo N2 O3 P -","- C136 H204 Mo4 N8 O12 P4 -","4","1","","María Alonso; M. Esther García; Miguel A. Ruiz; Hayrullo Hamidov; John C. Jeffery","Chemistry of the Phosphinidene Oxide Ligand","Journal of the American Chemical Society","2004","126","","13610","13611","10.1021/ja045487g","","","0.71073","MoKα","","0.0904","0.0442","","","0.0735","0.0846","","","","","","0.933","","","","has coordinates,has disorder","178901","2020-10-21","18:00:00",""
"4113086","6.2223","0.0013","11.473","0.003","24.811","0.006","90","","90","","90","","1771.2","0.7","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Qi-Ying Hu; Gang Zhou; E. J. Corey","Application of Chiral Cationic Catalysts to Several Classical Syntheses of Racemic Natural Products Transforms Them into Highly Enantioselective Pathways","Journal of the American Chemical Society","2004","126","","13708","13713","10.1021/ja046154m","","","0.71073","MoKα","","0.0607","0.0517","","","0.112","0.1159","","","","","","1.13","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113089","8.8433","0.0009","19.2251","0.0019","5.7426","0.0005","90","","90","","90","","976.32","0.16","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C44 H56 O8 -","4","1","","Alice E. Lurain; Aaron Maestri; Ann Rowley Kelly; Patrick J. Carroll; Patrick J. Walsh","Highly Enantio- and Diastereoselective One-Pot Synthesis of Acyclic Epoxy Alcohols with Three Contiguous Stereocenters","Journal of the American Chemical Society","2004","126","","13608","13609","10.1021/ja046750g","","","0.71069","MoKα","","0.0302","0.0292","","","0.0718","0.0728","","","","","","1.12","","","","has coordinates","178901","2020-10-21","18:00:00",""
"4113106","10.3941","0.0019","12.017","0.002","21.372","0.004","90","","90","","90","","2669.5","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(2R,4R)-N,N'-Diphenyl-(2,4)-pentanediamine]ZrCl2(THF2)","","","- C25 H36 Cl2 N2 O2 Zr -","- C25 H36 Cl2 N2 O2 Zr -","- C100 H144 Cl8 N8 O8 Zr4 -","4","1","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0332","0.0298","","","0.0515","0.0524","","","","","","1.006","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113108","7.1767","0.0012","13.512","0.002","16.907","0.003","90","","90","","90","","1639.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S,S)-[CH2CH2(Indnyl)2]ZrCl2","","","- C20 H16 Cl2 Zr -","- C20 H16 Cl2 Zr -","- C80 H64 Cl8 Zr4 -","4","1","","Matthew D. LoCoco; Richard F. Jordan","Enantioselective Synthesis of ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","13918","13919","10.1021/ja045245g","","","0.71073","MoKα","","0.0248","0.0235","","","0.052","0.0524","","","","","","1.143","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113153","12.932","0.002","17.383","0.002","19.398","0.002","90","","90","","90","","4360.6","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C192 H208 N16 O24 -","8","2","","Klas Källström; Christian Hedberg; Peter Brandt; Annette Bayer; Pher G. Andersson","Rationally Designed Ligands for Asymmetric Iridium-Catalyzed Hydrogenation of Olefins","Journal of the American Chemical Society","2004","126","","14308","14309","10.1021/ja0464241","","","0.71069","MoKα","","0.0907","0.0355","","","0.0814","0.0954","","","","","","0.989","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113154","14.244","0.007","19.825","0.01","19.945","0.01","90","","90","","90","","5632","5","100","2","273","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C62 H65 Cl2 Fe2 N2 Ni O8 P3 -","- C248 H260 Cl8 Fe8 N8 Ni4 O32 P12 -","4","1","","Aaron D. Sadow; Isabelle Haller; Luca Fadini; Antonio Togni","Nickel(II)-Catalyzed Highly Enantioselective Hydrophosphination of Methacrylonitrile","Journal of the American Chemical Society","2004","126","","14704","14705","10.1021/ja0449574","","","0.71073","MoKα","","0.0418","0.0385","","","0.0926","0.0941","","","","","","1.092","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113155","8.9815","0.0006","15.1441","0.0011","19.2553","0.0014","90","","90","","90","","2619","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 Cl N2 P Pd -","- C26 H40 Cl N2 P Pd -","- C104 H160 Cl4 N8 P4 Pd4 -","4","1","","Aaron D. Sadow; Isabelle Haller; Luca Fadini; Antonio Togni","Nickel(II)-Catalyzed Highly Enantioselective Hydrophosphination of Methacrylonitrile","Journal of the American Chemical Society","2004","126","","14704","14705","10.1021/ja0449574","","","0.71073","MoKα","","0.0356","0.0342","","","0.0826","0.0831","","","","","","1.052","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113156","11.44","0.002","16.326","0.003","41.174","0.008","90","","90","","90","","7690","2","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H57 Cl N2 P Pd -","- C44 H57 Cl N2 P Pd -","- C352 H456 Cl8 N16 P8 Pd8 -","8","2","","Aaron D. Sadow; Isabelle Haller; Luca Fadini; Antonio Togni","Nickel(II)-Catalyzed Highly Enantioselective Hydrophosphination of Methacrylonitrile","Journal of the American Chemical Society","2004","126","","14704","14705","10.1021/ja0449574","","","0.71073","MoKα","","0.1526","0.09","","","0.1237","0.1431","","","","","","0.983","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113172","13.4105","0.0011","13.4433","0.0011","24.353","0.002","90","","90","","90","","4390.4","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 N3 O -","- C22 H37 N3 O -","- C176 H296 N24 O8 -","8","2","","Douglas C. Behenna; Brian M. Stoltz","The Enantioselective Tsuji Allylation","Journal of the American Chemical Society","2004","126","","15044","15045","10.1021/ja044812x","","","0.71073","MoKα","","0.133","0.0842","","","0.1195","0.1224","","","","","","2.208","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4113192","12.8839","0.0009","14.7635","0.0009","17.5727","0.0012","90","","90","","90","","3342.5","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 N2 Si Zr -","- C44 H40 N2 Si Zr -","- C176 H160 N8 Si4 Zr4 -","4","1","","Matthew D. LoCoco; Xingwang Zhang; Richard F. Jordan","Chelate-Controlled Synthesis of Racemic ansa-Zirconocenes","Journal of the American Chemical Society","2004","126","","15231","15244","10.1021/ja046629+","","","0.71073","MoKα","","0.0687","0.041","","","0.0527","0.0567","","","","","","0.916","","","","has coordinates","178902","2020-10-21","18:00:00",""
"4113223","6.486","0.0004","28.861","0.002","10.7107","0.0009","90","","90","","90","","2005","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N2 O2 -","- C23 H30 N2 O2 -","- C92 H120 N8 O8 -","4","1","","Puay-Wah Phuan; James C. Ianni; Marisa C. Kozlowski","Is the A-Ring of Sparteine Essential for High Enantioselectivity in the Asymmetric Lithiation-Substitution of N-Boc-pyrrolidine?","Journal of the American Chemical Society","2004","126","","15473","15479","10.1021/ja046321i","","","0.71073","MoKα","","0.0818","0.0627","","","0.1528","0.1661","","","","","","1.218","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113255","6.9969","0.0004","11.1153","0.0006","18.5163","0.001","90","","90","","90","","1440.06","0.14","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O6 -","- C13 H22 O6 -","- C52 H88 O24 -","4","1","","Tony K. M. Shing; Connie S. K. Kwong; Aries W. C. Cheung; Stanton H.-L. Kok; Zhifeng Yu; Jianmei Li; Christopher H. K. Cheng","Facile, Efficient, and Enantiospecific Syntheses of 1,1'-N-Linked Pseudodisaccharides as a New Class of Glycosidase Inhibitors","Journal of the American Chemical Society","2004","126","","15990","15992","10.1021/ja0470158","","","0.71073","MoKα","","0.0359","0.0319","","","0.0862","0.0886","","","","","","1.047","","","","has coordinates","178903","2020-10-21","18:00:00",""
"4113264","7.326","0.0002","8.5","0.0007","25.929","0.002","90","","90","","90","","1614.62","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2E)-3-{3-Methoxy-4-[(phenylsulfonyl)oxy]phenyl}-2-propenoate","","- C17 H16 O6 S -","- C17 H16 O6 S -","- C68 H64 O24 S4 -","4","1","","Masaya Ichikawa; Masaki Takahashi; Sakae Aoyagi; Chihiro Kibayashi","Total Synthesis of (-)-Incarvilline, (+)-Incarvine C, and (-)-Incarvillateine","Journal of the American Chemical Society","2004","126","","16553","16558","10.1021/ja0401702","","","0.71073","MoKα","","0.0495","0.0321","","","0.069","0.0736","","","","","","0.716","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113361","3.8634","0.0003","14.7292","0.001","22.3403","0.0015","90","","90","","90","","1271.27","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Teruyuki Mitsumori; Michael Bendikov; Olivier Dautel; Fred Wudl; Takeshi Shioya; Hideki Sato; Yoshiharu Sato","Synthesis and Properties of Highly Fluorescent Indolizino[3,4,5-ab]isoindoles","Journal of the American Chemical Society","2004","126","","16793","16803","10.1021/ja049214x","","","0.71073","MoKα","","0.0439","0.035","","","0.0831","0.089","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113367","11.8876","0.0003","17.2869","0.0004","9.3156","0.0003","90","","90","","90","","1914.35","0.09","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 B8 Fe O2 P -","- C14 H21 B8 Fe O2 P -","- C56 H84 B32 Fe4 O8 P4 -","4","1","","Daniel E. Kadlecek; Alexandra M. Shedlow; Sang Ook Kang; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of endo-η1-, exo-η1-, η4-, η5-, and η6-Metallaphosphamonocarbaborane Complexes Derived from a Versatile New Polyborane Ligand: exo-6-R-arachno-6,7-PCB8H12","Journal of the American Chemical Society","2003","125","","212","220","10.1021/ja020945b","","","0.71069","MoKα","","0.036","0.0323","","0.0664","0.0645","","","","1.141","1.141","1.141","","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113373","8.9736","0.0005","14.2108","0.0008","14.8927","0.0008","90","","90","","90","","1899.15","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl4 O2 Sn -","- C15 H16 Cl4 O2 Sn -","- C60 H64 Cl16 O8 Sn4 -","4","1","","Kazuaki Ishihara; Daisuke Nakashima; Yukihiro Hiraiwa; Hisashi Yamamoto","The Crystallographic Structure of a Lewis Acid-Assisted Chiral Brønsted Acid as an Enantioselective Protonation Reagent for Silyl Enol Ethers","Journal of the American Chemical Society","2003","125","","24","25","10.1021/ja021000x","","","0.71073","MoKα","","0.018","0.0175","","","0.0439","0.0441","","","","","","1.067","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113379","9.845","0.0005","11.5335","0.0006","25.0299","0.0013","90","","90","","90","","2842.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 N O6 S -","- C28 H43 N O6 S -","- C112 H172 N4 O24 S4 -","4","1","","Richard E. Taylor; Yue Chen; Alicia Beatty; David C. Myles; Yiqing Zhou","Conformation-Activity Relationships in Polyketide Natural Products: A New Perspective on the Rational Design of Epothilone Analogues","Journal of the American Chemical Society","2003","125","","26","27","10.1021/ja028196l","","","0.71073","MoKα","","0.0465","0.0442","","","0.1186","0.1211","","","","","","1.035","","","","has coordinates","178904","2020-10-21","18:00:00",""
"4113397","11.5235","0.0007","24.1416","0.0015","26.0516","0.0016","90","","90","","90","","7247.4","0.8","91","2","91","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis(cyclohexyl isocyanide)gold hexafluorophosphate (yellow)","","","- C14 H22 Au F6 N2 P -","- C14 H22 Au F6 N2 P -","- C224 H352 Au16 F96 N32 P16 -","16","4","","Rochelle L. White-Morris; Marilyn M. Olmstead; Alan L. Balch","Aurophilic Interactions in Cationic Gold Complexes with Two Isocyanide Ligands. Polymorphic Yellow and Colorless Forms of [(Cyclohexyl Isocyanide)2AuI](PF6) with Distinct Luminescence","Journal of the American Chemical Society","2003","125","","1033","1040","10.1021/ja020902v","","","0.71073","MoKα","","0.0845","0.0552","","","0.1111","0.1234","","","","","","0.96","","","","has coordinates,has disorder","178904","2020-10-21","18:00:00",""
"4113415","8.31","0.0004","15.6828","0.0008","18.0724","0.0012","90","","90","","90","","2355.3","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 Fe N2 P S2 -","- C23 H31 Fe N2 P S2 -","- C92 H124 Fe4 N8 P4 S8 -","4","1","","Prasanta Ghosh; Eckhard Bill; Thomas Weyhermüller; Frank Neese; Karl Wieghardt","Noninnocence of the Ligand Glyoxal-bis(2-mercaptoanil). The Electronic Structures of [Fe(gma)]2, [Fe(gma)(py)].py, [Fe(gma)(CN)]1-/0, [Fe(gma)I], and [Fe(gma)(PR3)n] (n= 1, 2). Experimental and Theoretical Evidence for ""Excited State"" Coordination","Journal of the American Chemical Society","2003","125","","1293","1308","10.1021/ja021123h","","","0.71073","MoKα","","0.0619","0.0547","","0.109","0.1041","","","","1.215","1.241","1.241","","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113433","12.8373","0.0005","23.787","0.0009","39.5612","0.0014","90","","90","","90","","12080.4","0.8","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61.25 H77.5 N4 Ni O9.5 -","- C61.25 H72 N4 Ni O9.5 -","- C490 H576 N32 Ni8 O76 -","8","2","","Raid E. Haddad; Stéphanie Gazeau; Jacques Pécaut; Jean-Claude Marchon; Craig J. Medforth; John A. Shelnutt","Origin of the Red Shifts in the Optical Absorption Bands of Nonplanar Tetraalkylporphyrins","Journal of the American Chemical Society","2003","125","","1253","1268","10.1021/ja0280933","","","0.71073","MoKα","","0.1132","0.0625","","","0.1671","0.1866","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113460","7.3895","0.0004","8.0891","0.0004","20.9195","0.0009","90","0.002","90","0.002","90","0.001","1250.45","0.11","90","1","90","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H19 Br2 N3 O Zn -","- C8 H19 Br2 N3 O Zn -","- C32 H76 Br8 N12 O4 Zn4 -","4","1","","Olga Iranzo; Andrey Y. Kovalevsky; Janet R. Morrow; John P. Richard","Physical and Kinetic Analysis of the Cooperative Role of Metal Ions in Catalysis of Phosphodiester Cleavage by a Dinuclear Zn(II) Complex","Journal of the American Chemical Society","2003","125","","1988","1993","10.1021/ja027728v","","","0.71073","MoKα","","0.0394","0.0334","","","0.0652","0.0663","","","","","","0.943","","","","has coordinates","178905","2020-10-21","18:00:00",""
"4113475","12.644","0.002","17.879","0.002","9.382","0.001","90","","90","","90","","2120.9","0.5","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 F6 N O3 -","- C21 H19 F6 N O3 -","- C84 H76 F24 N4 O12 -","4","1","","Karel M. J. Brands; Joseph F. Payack; Jonathan D. Rosen; Todd D. Nelson; Alexander Candelario; Mark A. Huffman; Matthew M. Zhao; Jing Li; Bridgette Craig; Zhiguo J. Song; David M. Tschaen; Karl Hansen; Paul N. Devine; Philip J. Pye; Kai Rossen; Peter G. Dormer; Robert A. Reamer; Christopher J. Welch; David J. Mathre; Nancy N. Tsou; James M. McNamara; Paul J. Reider","Efficient Synthesis of NK1 Receptor Antagonist Aprepitant Using a Crystallization-Induced Diastereoselective Transformation","Journal of the American Chemical Society","2003","125","","2129","2135","10.1021/ja027458g","","","1.54184","CuKα","","","0.128","","","0.315","","","","","1.078","1.078","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4113494","10.0834","0.0013","17.335","0.002","25.586","0.003","90","","90","","90","","4472.3","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C78 H15 Cl3 S2 -","- C78 H15 Cl3 S2 -","- C312 H60 Cl12 S8 -","4","1","","Wenyuan Qian; Shih-Ching Chuang; Roberto B. Amador; Thibaut Jarrosson; Michael Sander; Susan Pieniazek; Saeed I. Khan; Yves Rubin","Synthesis of Stable Derivatives of C62: The First Nonclassical Fullerene Incorporating a Four-Membered Ring","Journal of the American Chemical Society","2003","125","","2066","2067","10.1021/ja029679s","","","0.71073","MoKα","","0.1112","0.0586","","","0.1355","0.1584","","","","","","0.968","","","","has coordinates,has disorder","178905","2020-10-21","18:00:00",""
"4113503","10.9897","0.0008","16.5354","0.0013","21.4911","0.0016","90","","90","","90","","3905.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H59 Mo N O2 -","- C44 H59 Mo N O2 -","- C176 H236 Mo4 N4 O8 -","4","1","","W. C. Peter Tsang; Jesper A. Jernelius; G. A. Cortez; Gabriel S. Weatherhead; Richard R. Schrock; Amir H. Hoveyda","An Enantiomerically Pure Adamantylimido Molybdenum Alkylidene Complex. An Effective New Catalyst for Enantioselective Olefin Metathesis","Journal of the American Chemical Society","2003","125","","2591","2596","10.1021/ja021204d","","","0.71073","MoKα","","0.0289","0.0268","","","0.0626","0.0633","","","","","","1.07","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113508","12.526","0.0006","12.8291","0.0006","20.4241","0.001","90","","90","","90","","3282.1","0.3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Al Cl4 Co N O3 P2 -","- C27 H29 Al Cl4 Co N O3 P2 -","- C108 H116 Al4 Cl16 Co4 N4 O12 P8 -","4","1","","Javier Sánchez-Nieves; Brian T. Sterenberg; Konstantin A. Udachin; Arthur J. Carty","A Thermally Stable and Sterically Unprotected Terminal Electrophilic Phosphinidene Complex of Cobalt and Its Conversion to an η1-Phosphirene","Journal of the American Chemical Society","2003","125","","2404","2405","10.1021/ja028303b","","","0.71073","MoKα","","0.0599","0.038","","","0.0822","0.0896","","","","","","1.022","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113520","18.191","0.001","18.649","0.001","6.0329","0.0003","90","","90","","90","","2046.62","0.19","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Cl O4 -","- C24 H20 Cl O4 -","- C96 H80 Cl4 O16 -","4","1","","Shinji Harada; Naoya Kumagai; Tomofumi Kinoshita; Shigeki Matsunaga; Masakatsu Shibasaki","Direct Catalytic Asymmetric Michael Reaction of Hydroxyketones: Asymmetric Zn Catalysis with a Et2Zn/Linked-BINOL Complex","Journal of the American Chemical Society","2003","125","","2582","2590","10.1021/ja028928+","","","0.7107","MoKα","","","0.0281","","","","0.0704","","","","","","0.524","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113541","6.2833","0.0005","9.722","0.001","17.974","0.002","90","","90","","90","","1097.96","0.19","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 S -","- C12 H12 O3 S -","- C48 H48 O12 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","1.5418","CuKα","","","0.028","","","","0.082","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113545","8.4018","0.0002","12.7916","0.0003","14.8966","0.0003","90","","90","","90","","1600.97","0.06","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O3 S -","- C17 H22 O3 S -","- C68 H88 O12 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.023","","","","0.063","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113546","7.869","0.002","15.702","0.003","18.622","0.003","90","","90","","90","","2300.9","0.8","93.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O9 S -","- C23 H22 N2 O9 S -","- C92 H88 N8 O36 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.034","","","","0.073","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113547","9.823","0.001","11.023","0.002","12.542","0.002","90","","90","","90","","1358","0.4","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","1","","Masahiro Honma; Takashi Sawada; Yuri Fujisawa; Masayuki Utsugi; Hideaki Watanabe; Akinori Umino; Takehiko Matsumura; Takayuki Hagihara; Masashi Takano; Masahisa Nakada","Asymmetric Catalysis on the Intramolecular Cyclopropanation of α-Diazo-β-keto Sulfones","Journal of the American Chemical Society","2003","125","","2860","2861","10.1021/ja029534l","","","0.7107","MoKα","","","0.026","","","","0.062","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113550","8.3482","0.0005","8.675","0.0005","40.331","0.002","90","","90","","90","","2920.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 N O5 -","- C31 H45 N O5 -","- C124 H180 N4 O20 -","4","1","","Chutian Shu; Lanny S. Liebeskind","Enantiocontrolled Synthesis of 2,6-Disubstituted Piperidines by Desymmetrization of meso-η-(3,4,5)-Dihydropyridinylmolybdenum Complexes. Application to the Total Synthesis of (-)-Dihydropinidine and (-)-Andrachcinidine","Journal of the American Chemical Society","2003","125","","2878","2879","10.1021/ja029537y","","","0.71073","MoKα","","0.0535","0.0487","","","0.1176","0.1202","","","","","","1.112","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113562","13.604","0.002","16.518","0.003","19.219","0.003","90","","90","","90","","4318.7","1.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Ru(Cp*)(PEt3)2(H)(kappa1-CCH)]BPh4","(penta-hapto-pentamethylcyclopentadienyl)-bis(triethylphosphino)- alkynyl-hydride-ruthenium tetraphenylborate","","- C48 H67 B P2 Ru -","- C48 H67 B P2.087 Ru1.053 -","- C192 H268 B4 P8.348 Ru4.212 -","4","1","","Emilio Bustelo; Jorge J. Carbó; Agustí Lledós; Kurt Mereiter; M. Carmen Puerta; Pedro Valerga","First X-ray Characterization and Theoretical Study of π-Alkyne, Alkynyl-Hydride, and Vinylidene Isomers for the Same Transition Metal Fragment [Cp*Ru(PEt3)2]+","Journal of the American Chemical Society","2003","125","","3311","3321","10.1021/ja0291181","","","0.71073","MoKα","","0.052","0.0432","","","0.1046","0.1115","","","","","","1.091","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113563","13.5677","0.0007","17.2811","0.0008","19.0256","0.0009","90","","90","","90","","4460.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Cp*Ru(PEt3)2(=C=CH2)][BPh4]","(penta-hapto-pentamethylcyclopentadienyl)-bis(triethylphosphino)- (vinylidene)-ruthenium tetraphenylborate","","- C48 H67 B P2 Ru -","- C48 H67 B P2 Ru -","- C192 H268 B4 P8 Ru4 -","4","1","","Emilio Bustelo; Jorge J. Carbó; Agustí Lledós; Kurt Mereiter; M. Carmen Puerta; Pedro Valerga","First X-ray Characterization and Theoretical Study of π-Alkyne, Alkynyl-Hydride, and Vinylidene Isomers for the Same Transition Metal Fragment [Cp*Ru(PEt3)2]+","Journal of the American Chemical Society","2003","125","","3311","3321","10.1021/ja0291181","","","0.71073","MoKα","","0.0678","0.064","","","0.1314","0.1333","","","","","","1.034","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113569","4.7719","0.0012","12.98","0.003","27.034","0.006","90","","90","","90","","1674.5","0.7","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C68 H96 N8 O12 -","4","1","","Janez Košmrlj; Leland O. Weigel; David A. Evans; C. Wade Downey; Jimmy Wu","Unfunctionalized, α-Epimerizable Nonracemic Ketones and Aldehydes Can Be Accessed by Crystallization-Induced Dynamic Resolution of Imines","Journal of the American Chemical Society","2003","125","","3208","3209","10.1021/ja029715n","","","0.71073","MoKα","","0.1185","0.0902","","","0.1911","0.2093","","","","","","1.069","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113572","17.1078","0.0003","20.5553","0.0004","23.1162","0.0005","90","","90","","90","","8128.9","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H64 P2 Pd Si -","- C44 H63 P2 Pd Si -","- C352 H504 P16 Pd8 Si8 -","8","2","","Robert C. Boyle; Joel T. Mague; Mark J. Fink","The First Stable Mononuclear Silyl Palladium Hydrides","Journal of the American Chemical Society","2003","125","","3228","3229","10.1021/ja029853c","","","0.71073","MoKα","","0.1467","0.0859","","","0.1775","0.2087","","","","","","1.049","","","","has coordinates","178906","2020-10-21","18:00:00",""
"4113611","5.7624","0.0009","12.2485","0.0019","22.486","0.004","90","","90","","90","","1587.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 S2 -","- C16 H20 N2 S2 -","- C64 H80 N8 S8 -","4","1","","Narendra B. Ambhaikar; James P. Snyder; Dennis C. Liotta","Diastereoselective Addition of Chlorotitanium Enolate of N-Acyl Thiazolidinethione to O-Methyl Oximes: A Novel, Stereoselective Synthesis of α,β-Disubstituted β-Amino Carbonyl Compounds via Chiral Auxiliary Mediated Azetine Formation","Journal of the American Chemical Society","2003","125","","3690","3691","10.1021/ja029871u","","","0.71073","MoKα","","0.0383","0.0365","","","0.0911","0.0924","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113612","9.9797","0.0002","19.9201","0.0004","21.9977","0.0005","90","","90","","90","","4373.07","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N2 O2 S2 -","- C23 H26 N2 O2 S2 -","- C184 H208 N16 O16 S16 -","8","2","","Narendra B. Ambhaikar; James P. Snyder; Dennis C. Liotta","Diastereoselective Addition of Chlorotitanium Enolate of N-Acyl Thiazolidinethione to O-Methyl Oximes: A Novel, Stereoselective Synthesis of α,β-Disubstituted β-Amino Carbonyl Compounds via Chiral Auxiliary Mediated Azetine Formation","Journal of the American Chemical Society","2003","125","","3690","3691","10.1021/ja029871u","","","1.54178","CuKα","","0.0325","0.0294","","","0.0704","0.0716","","","","","","1.035","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113624","6.7476","0.0008","12.5932","0.0015","20.305","0.002","90","","90","","90","","1725.4","0.3","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br3 O4 -","- C15 H15 Br3 O4 -","- C60 H60 Br12 O16 -","4","1","","Ara H. Mermerian; Gregory C. Fu","Catalytic Enantioselective Synthesis of Quaternary Stereocenters via Intermolecular C-Acylation of Silyl Ketene Acetals: Dual Activation of the Electrophile and the Nucleophile","Journal of the American Chemical Society","2003","125","","4050","4051","10.1021/ja028554k","","","0.71073","MoKα","","0.0906","0.0878","","","0.2031","0.207","","","","","","1.024","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113655","29.486","0.004","29.833","0.004","37.579","0.005","90","","90","","90","","33057","8","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H124 Cl Co N13 O31 P -","- C64 H90 Cl Co N13 O31 P -","- C1024 H1440 Cl16 Co16 N208 O496 P16 -","16","4","","Kevin M. McCauley; Scott R. Wilson; Wilfred A. van der Donk","Characterization of Chlorovinylcobalamin, A Putative Intermediate in Reductive Degradation of Chlorinated Ethylenes","Journal of the American Chemical Society","2003","125","","4410","4411","10.1021/ja029692c","","","1.54178","CuKα","","0.122","0.1012","","","0.2744","0.2901","","","","","","1.133","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4113669","10.705","0.004","21.283","0.003","6.981","0.003","90","","90","","90","","1590.5","0.9","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O S -","- C72 H88 O4 S4 -","- C72 H88 O4 S4 -","","","","Shengming Ma; Hongjun Ren; Qi Wei","Highly Regio- and Stereoselective Halohydroxylation Reaction of 1,2-Allenyl Phenyl Sulfoxides. Reaction Scope, Mechanism, and the Corresponding Pd- or Ni-Catalyzed Selective Coupling Reactions","Journal of the American Chemical Society","2003","125","","4817","4830","10.1021/ja034039q","","","0.7107","MoKalpha","","","0.044","","","0.047","","","","","1.57","1.57","","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113671","7.576","0.004","37.003","0.007","6.523","0.004","90","","90","","90","","1828.6","1.5","20","","20","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 I O2 S -","- C72 H92 I4 O8 S4 -","- C72 H92 I4 O8 S4 -","","","","Shengming Ma; Hongjun Ren; Qi Wei","Highly Regio- and Stereoselective Halohydroxylation Reaction of 1,2-Allenyl Phenyl Sulfoxides. Reaction Scope, Mechanism, and the Corresponding Pd- or Ni-Catalyzed Selective Coupling Reactions","Journal of the American Chemical Society","2003","125","","4817","4830","10.1021/ja034039q","","","0.7107","MoKalpha","","","0.041","","","0.049","","","","","1.69","1.69","","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113678","11.0133","0.0004","15.2191","0.0008","34.881","0.002","90","","90","","90","","5846.5","0.5","123.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H50 Cl2 F12 N O4 P -","- C63 H50 Cl2 F12 N O4 P -","- C252 H200 Cl8 F48 N4 O16 P4 -","4","1","","Takashi Ooi; Minoru Kameda; Keiji Maruoka","Design of N-Spiro C2-Symmetric Chiral Quaternary Ammonium Bromides as Novel Chiral Phase-Transfer Catalysts: Synthesis and Application to Practical Asymmetric Synthesis of α-Amino Acids","Journal of the American Chemical Society","2003","125","","5139","5151","10.1021/ja021244h","","","0.7107","MoKα","","","0.0836","","","","0.2343","","","","","","1.486","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113690","5.9629","0.0007","10.338","0.0011","34.083","0.004","90","","90","","90","","2101","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O5 -","- C24 H32 O5 -","- C96 H128 O20 -","4","1","","Christopher D. Vanderwal; David A. Vosburg; Sven Weiler; Erik J. Sorensen","An Enantioselective Synthesis of FR182877 Provides a Chemical Rationalization of Its Structure and Affords Multigram Quantities of Its Direct Precursor","Journal of the American Chemical Society","2003","125","","5393","5407","10.1021/ja021472b","","","0.71073","MoKα","","0.1","0.0575","","","0.1159","0.132","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113693","14.5089","0.0016","14.6962","0.0016","22.214","0.003","90","","90","","90","","4736.6","1","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H50 F12 N2 O2 Zn2 -","- C49 H50 F12 N2 O2 Zn2 -","- C196 H200 F48 N8 O8 Zn8 -","4","1","","Koji Nakano; Kyoko Nozaki; Tamejiro Hiyama","Asymmetric Alternating Copolymerization of Cyclohexene Oxide and CO2 with Dimeric Zinc Complexes","Journal of the American Chemical Society","2003","125","","5501","5510","10.1021/ja028666b","","","0.71073","MoKα","","0.1398","0.048","","","0.0898","0.1196","","","","","","0.632","","","","has coordinates","178907","2020-10-21","18:00:00",""
"4113717","12.446","0.0012","16.027","0.002","27.704","0.003","90","0.01","90","0.009","90","0.009","5526.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-(Val-Ala-Phe-Aib)2-OMe","t-Butoxycarbonyl-valyl-alanyl-phenylalanyl-(alpha-aminoisobutyryl)-valyl -alanyl-phenylalanyl-(alpha-aminoisobutyryl)-methyl ester","","- C48 H72 N8 O11 -","- C48 H72 N8 O11 -","- C192 H288 N32 O44 -","4","1","","Subrayashastry Aravinda; Narayanaswamy Shamala; Chittaranjan Das; Arumugam Sriranjini; Isabella L. Karle; Padmanabhan Balaram","Aromatic-Aromatic Interactions in Crystal Structures of Helical Peptide Scaffolds Containing Projecting Phenylalanine Residues","Journal of the American Chemical Society","2003","125","","5308","5315","10.1021/ja0341283","","","1.5418","CuKα","","0.0895","0.0588","","","0.1609","0.197","","","","","","1.073","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113764","6.1545","0.0006","8.305","0.0009","20.807","0.002","90","","90","","90","","1063.51","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N O5 -","- C8 H15 N O5 -","- C32 H60 N4 O20 -","4","1","","Cara L. Jenkins; Lynn E. Bretscher; Ilia A. Guzei; Ronald T. Raines","Effect of 3-Hydroxyproline Residues on Collagen Stability","Journal of the American Chemical Society","2003","125","","6422","6427","10.1021/ja034015j","","","0.71073","MoKα","","0.0401","0.0369","","","0.0953","0.0975","","","","","","1.051","","","","has coordinates","178908","2020-10-21","18:00:00",""
"4113766","5.9959","0.0001","8.56","0.0001","19.37","0.002","90","","90","","90","","994.16","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzoyliminopyridinium ylide","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Claude Legault; André B. Charette","Complexation Promoted Additions to N-Benzoyliminopyridinium Ylides. A Novel and Highly Regioselective Approach to Polysubstituted Piperidines","Journal of the American Chemical Society","2003","125","","6360","6361","10.1021/ja0348647","","","1.54178","CuKα","","0.0349","0.0316","","0.0877","","0.0861","","","1.047","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113807","7.8177","0.0004","14.3141","0.0009","20.5603","0.001","90","","90","","90","","2300.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cp*Mo(NO)(h2-C6H4)(NC5H5).benzene (9)","Molybdenum,[(5,6-.eta.)-1,3-cyclohexadien-5-yne]nitrosyl [(5-.eta.)pentamethylcyclopentadienyl](pyridine)","","- C27 H30 Mo N2 O -","- C27 H30 Mo N2 O -","- C108 H120 Mo4 N8 O4 -","4","1","","Kenji Wada; Craig B. Pamplin; Peter Legzdins; Brian O. Patrick; Irina Tsyba; Robert Bau","Intermolecular Activation of Hydrocarbon C-H Bonds under Ambient Conditions by 16-Electron Neopentylidene and Benzyne Complexes of Molybdenum","Journal of the American Chemical Society","2003","125","","7035","7048","10.1021/ja0349094","","","0.71073","MoKα","","0.05","0.0327","","","0.0618","0.0662","","","","","","0.856","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113812","17.471","0.003","33.76","0.01","6.726","0.001","90","","90","","90","","3967.1","1.5","113.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 N6 O9 -","- C41 H50 N6 O10 -","- C164 H200 N24 O40 -","4","1","","Yukio Hitotsuyanagi; Shin-ichi Sasaki; Yuji Matsumoto; Kentaro Yamaguchi; Hideji Itokawa; Koichi Takeya","Synthesis of [l-Ala-1]RA-VII, [d-Ala-2]RA-VII, and [d-Ala-4]RA-VII by Epimerization of RA-VII, an Antitumor Bicyclic Hexapeptide from Rubia Plants, through Oxazoles","Journal of the American Chemical Society","2003","125","","7284","7290","10.1021/ja021131y","","","0.7107","MoKα","","","0.0613","","","","0.066","","","","","","1.286","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113813","16.14","0.02","23.85","0.03","12.562","0.005","90","","90","","90","","4836","9","173.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H74 N6 O25 -","- C42 H47 N6 O20 -","- C168 H188 N24 O80 -","4","1","","Yukio Hitotsuyanagi; Shin-ichi Sasaki; Yuji Matsumoto; Kentaro Yamaguchi; Hideji Itokawa; Koichi Takeya","Synthesis of [l-Ala-1]RA-VII, [d-Ala-2]RA-VII, and [d-Ala-4]RA-VII by Epimerization of RA-VII, an Antitumor Bicyclic Hexapeptide from Rubia Plants, through Oxazoles","Journal of the American Chemical Society","2003","125","","7284","7290","10.1021/ja021131y","","","0.7107","MoKα","","","0.138","","","","0.1274","","","","","","3.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113815","16.779","0.003","17.304","0.004","8.443","0.004","90","","90","","90","","2451.4","1.4","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 F6 O2 S2 -","- C26 H20 F6 O2 S2 -","- C104 H80 F24 O8 S8 -","4","1","","Yasushi Yokoyama; Hidenori Shiraishi; Yutaka Tani; Yayoi Yokoyama; Yoshitaka Yamaguchi","Diastereoselective Photochromism of a Bisbenzothienylethene Governed by Steric as Well as Electronic Interactions","Journal of the American Chemical Society","2003","125","","7194","7195","10.1021/ja029535d","","","0.7107","MoKα","","","0.044","","","","0.136","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113831","10.612","0.002","15.229","0.003","20.949","0.004","90","","90","","90","","3385.6","1.1","299.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H43 N3 O7 S -","- C36 H41 N3 O7 S -","- C144 H164 N12 O28 S4 -","4","1","","Toshiaki Nagata; Masako Nakagawa; Atsushi Nishida","The First Total Synthesis of Nakadomarin A","Journal of the American Chemical Society","2003","125","","7484","7485","10.1021/ja034464j","","","0.7107","MoKα","","","0.0525","","","","0.0586","","","","","","2.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113832","10.78","0.002","12.27","0.002","18.705","0.004","90","","90","","90","","2474.1","0.8","173.2","","173.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O4 S -","- C28 H27 N2 O4 S -","- C112 H108 N8 O16 S4 -","4","1","","Toshiaki Nagata; Masako Nakagawa; Atsushi Nishida","The First Total Synthesis of Nakadomarin A","Journal of the American Chemical Society","2003","125","","7484","7485","10.1021/ja034464j","","","0.7107","MoKα","","0.062","0.062","","0.082","","0.082","","","1.802","","","1.8","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4113854","6.057","0.004","8.667","0.006","23.73","0.02","90","","90","","90","","1245.7","1.6","173.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N4 -","- C13 H16 N4 -","- C52 H64 N16 -","4","1","","Shin Kamijo; Tienan Jin; Zhibao Huo; Yoshinori Yamamoto","Synthesis of Triazoles from Nonactivated Terminal Alkynes via the Three-Component Coupling Reaction Using a Pd(0)-Cu(I) Bimetallic Catalyst","Journal of the American Chemical Society","2003","125","","7786","7787","10.1021/ja034191s","","","0.7107","MoKα","","","0.0445","","","","0.0536","","","","","","1.377","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4113881","10.3925","0.0014","23.112","0.002","6.4688","0.001","90","","90","","90","","1553.8","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-isopropenyl-6a-methyl-2,3,4a,5,6,6a,7,8,9,10-decahydro-benzo[f]chromene-2, 10a-diol","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Amos B. Smith; Naoki Kanoh; Haruaki Ishiyama; Noriaki Minakawa; Jon D. Rainier; Richard A. Hartz; Young Shin Cho; Haifeng Cui; William H. Moser","Tremorgenic Indole Alkaloids. The Total Synthesis of (-)-Penitrem D","Journal of the American Chemical Society","2003","125","","8228","8237","10.1021/ja034842k","","","0.71069","MoKα","","0.0923","0.0821","","0.2098","0.2017","","","","1.13","1.17","1.17","","","","","has coordinates","178909","2020-10-21","18:00:00",""
"4113914","15.4697","0.001","16.0349","0.001","20.7479","0.0013","90","","90","","90","","5146.6","0.6","96","2","96","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(dppp)Pt(Me)2","","","- C29 H32 P2 Pt -","- C29 H32 P2 Pt -","- C232 H256 P16 Pt8 -","8","2","","J. Christopher Thomas; Jonas C. Peters","Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes","Journal of the American Chemical Society","2003","125","","8870","8888","10.1021/ja0296071","","","0.71073","MoKα","","0.0226","0.0203","","","0.0446","0.0451","","","","","","1.235","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113953","13.065","0.002","14.977","0.003","21.809","0.004","90","","90","","90","","4267.5","1.3","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H30 Cl2 N2 Ni O2 -","- C15.1111 H26.6667 Cl1.77778 N1.77778 Ni0.888889 O1.77778 -","- C136 H240 Cl16 N16 Ni8 O16 -","9","2.25","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.1003","0.0714","","","0.1337","0.1433","","","","","","1.096","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113955","9.5295","0.0009","12.2497","0.0012","25.703","0.003","90","","90","","90","","3000.4","0.5","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H34 F6 N2 Ni O10 S2 -","- C19 H30 F6 N2 Ni O10 S2 -","- C76 H120 F24 N8 Ni4 O40 S8 -","4","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0801","0.0677","","","0.1499","0.1556","","","","","","1.169","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113956","8.0746","0.0008","12.0053","0.0008","15.3059","0.0012","90","","90","","90","","1483.7","0.2","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 S2 -","- C14 H17 N O2 S2 -","- C56 H68 N4 O8 S8 -","4","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0466","0.0403","","","0.108","0.1135","","","","","","0.87","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113957","9.046","0.0013","12.5033","0.0018","14.244","0.002","90","","90","","90","","1611.1","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 S2 -","- C17 H17 N O2 S2 -","- C68 H68 N4 O8 S8 -","4","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0443","0.0405","","","0.1086","0.1112","","","","","","1.019","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4113959","5.286","0.0008","7.6575","0.0011","29.617","0.004","90","","90","","90","","1198.8","0.3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O2 S2 -","- C10 H15 N O2 S2 -","- C40 H60 N4 O8 S8 -","4","1","","David A. Evans; C. Wade Downey; Jed L. Hubbs","Ni(II) Bis(oxazoline)-Catalyzed Enantioselective Syn Aldol Reactions of N-Propionylthiazolidinethiones in the Presence of Silyl Triflates","Journal of the American Chemical Society","2003","125","","8706","8707","10.1021/ja035509j","","","0.71073","MoKα","","0.0386","0.0375","","","0.104","0.1054","","","","","","1.106","","","","has coordinates","178910","2020-10-21","18:00:00",""
"4114007","13.517","0.002","13.974","0.002","16.765","0.002","90","","90","","90","","3166.7","0.8","203","2","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H39 B3 F12 N6 Rh2 S6 -","- C12 H39 B3 F12 N6 Rh2 S6 -","- C48 H156 B12 F48 N24 Rh8 S24 -","4","1","","Takumi Konno; Kazuyuki Haneishi; Masakazu Hirotsu; Tadashi Yamaguchi; Tasuku Ito; Takashi Yoshimura","The First Triple Thiol-thiolate Hydrogen Bond versus Triple Diselenide Bond That Bridges Two Metal Centers","Journal of the American Chemical Society","2003","125","","9244","9245","10.1021/ja0302331","","","0.7107","MoK?a","","0.0254","0.0243","","0.0688","","","","","0.563","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114055","10.1837","0.0003","14.8317","0.0005","22.3545","0.0001","90","","90","","90","","3376.46","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 Br3 N3 O -","- C32 H42 Br3 N3 O -","- C128 H168 Br12 N12 O4 -","4","1","","Karl J. Wallace; Warwick J. Belcher; David R. Turner; Kauser F. Syed; Jonathan W. Steed","Slow Anion Exchange, Conformational Equilibria, and Fluorescent Sensing in Venus Flytrap Aminopyridinium-Based Anion Hosts","Journal of the American Chemical Society","2003","125","","9699","9715","10.1021/ja034921w","","","0.71073","MoKα","","0.0591","0.0502","","","0.1098","0.1139","","","","","","1.05","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114082","9.9304","0.0009","15.003","0.0014","19.6514","0.0018","90","","90","","90","","2927.8","0.5","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 B F4 P2 Rh -","- C31 H40 B F4 P2 Rh -","- C124 H160 B4 F16 P8 Rh4 -","4","1","","Garrett Hoge","Synthesis of Both Enantiomers of a P-Chirogenic 1,2-Bisphospholanoethane Ligand via Convergent Routes and Application to Rhodium-Catalyzed Asymmetric Hydrogenation of CI-1008 (Pregabalin)","Journal of the American Chemical Society","2003","125","","10219","10227","10.1021/ja034715o","","","0.71073","MoKα","","0.0336","0.0279","","","0.0698","0.072","","","","","","1.038","","","","has coordinates","178911","2020-10-21","18:00:00",""
"4114103","7.469","0.003","8.452","0.004","31.817","0.012","90","","90","","90","","2008.5","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C84 H92 N12 O20 -","4","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.1054","0.0624","","","0.1338","0.1581","","","","","","1.059","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114105","10.2589","0.0013","13.3262","0.0012","24.287","0.003","90","","90","","90","","3320.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H38 N4 O5 -","- C38 H38 N4 O5 -","- C152 H152 N16 O20 -","4","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.0497","0.0359","","","0.0813","0.0877","","","","","","1.028","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114106","10.8635","0.0012","13.9599","0.0017","15.9849","0.0018","90","","90","","90","","2424.2","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 O4 -","- C28 H27 N3 O4 -","- C112 H108 N12 O16 -","4","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.0646","0.0412","","","0.1003","0.1182","","","","","","1.158","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114107","9.8833","0.0005","24.7789","0.0012","37.5458","0.0019","90","","90","","90","","9194.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H98 Cl4 N10 O12 -","- C100.48 H108.078 Cl2 N10 O12 -","- C401.92 H432.312 Cl8 N40 O48 -","4","1","","Ung Chan Yoon; Ying Xue Jin; Sun Wha Oh; Chan Hyo Park; Jong Hoon Park; Charles F. Campana; Xiaolu Cai; Eileen N. Duesler; Patrick S. Mariano","A Synthetic Strategy for the Preparation of Cyclic Peptide Mimetics Based on SET-Promoted Photocyclization Processes","Journal of the American Chemical Society","2003","125","","10664","10671","10.1021/ja030297b","","","0.71073","MoKα","","0.0988","0.081","","","0.2057","0.2161","","","","","","1.117","","","","has coordinates,has disorder","178912","2020-10-21","18:00:00",""
"4114110","10.0978","0.0002","26.1707","0.0006","26.6031","0.0007","90","","90","","90","","7030.3","0.3","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 N2 Ni O2 -","- C36 H52 N2 Ni O2 -","- C288 H416 N16 Ni8 O16 -","8","2","","Yuichi Shimazaki; Fumito Tani; Kôichi Fukui; Yoshinori Naruta; Osamu Yamauchi","One-Electron Oxidized Nickel(II)-(Disalicylidene)diamine Complex: Temperature-Dependent Tautomerism between Ni(III)-Phenolate and Ni(II)-Phenoxyl Radical States","Journal of the American Chemical Society","2003","125","","10512","10513","10.1021/ja035806o","","","0.7107","MoKα","","","0.0783","","","","0.2174","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114113","9.4525","0.0015","14.379","0.002","20.348","0.003","90","","90","","90","","2765.6","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H72 B2 Cl6 F8 O2 Pt4 -","- C48 H72 B2 Cl6 F8 O2 Pt4 -","- C96 H144 B4 Cl12 F16 O4 Pt8 -","2","0.5","","Endre Szuromi; Hui Shan; Paul R. Sharp","Alkene Oxidation by a Platinum Oxo Complex and Isolation of a Platinaoxetane","Journal of the American Chemical Society","2003","125","","10522","10523","10.1021/ja036496c","","","0.71073","MoKα","","0.0345","0.0276","","","0.048","0.0497","","","","","","0.999","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114158","9.389","0.001","10.8","0.001","16.087","0.002","90","","90","","90","","1631.2","0.3","134.2","","134.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H29 N O2 S -","- C13 H29 N O2 S -","- C52 H116 N4 O8 S4 -","4","1","","Takuya Kochi; Tony P. Tang; Jonathan A. Ellman","Development and Application of a New General Method for the Asymmetric Synthesis of syn- and anti-1,3-Amino Alcohols","Journal of the American Chemical Society","2003","125","","11276","11282","10.1021/ja0363462","","","0.7107","MoKα","","0.108","0.0522","","","0.055","0.0625","","","","","","1.712","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114175","5.7781","0.0002","15.209","0.0004","20.4982","0.0007","90","","90","","90","","1801.36","0.1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Ryan R. Huddleston; Hye-Young Jang; Michael J. Krische","First Catalytic Reductive Coupling of 1,3-Diynes to Carbonyl Partners: A New Regio- and Enantioselective C-C Bond Forming Hydrogenation","Journal of the American Chemical Society","2003","125","","11488","11489","10.1021/ja030415v","","","0.71073","MoKα","","0.1221","0.0657","","","0.0966","0.1175","","","","","","1.143","","","","has coordinates","178912","2020-10-21","18:00:00",""
"4114210","10.9857","0.0016","14.119","0.002","16.374","0.002","90","","90","","90","","2539.7","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H21 N2 O6 P -","- C30 H21 N2 O6 P -","- C120 H84 N8 O24 P4 -","4","1","","Thomas P. Clark; Clark R. Landis","Resolved Chiral 3,4-Diazaphospholanes and Their Application to Catalytic Asymmetric Allylic Alkylation","Journal of the American Chemical Society","2003","125","","11792","11793","10.1021/ja036359f","","","0.71073","MoKα","","0.0362","0.034","","","0.084","0.0853","","","","","","1.047","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114245","9.477","0.005","9.789","0.005","14.38","0.008","90","","90","","90","","1334","1.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Andrew G. Myers; Seth B. Herzon","Identification of a Novel Michael Acceptor Group for the Reversible Addition of Oxygen- and Sulfur-Based Nucleophiles. Synthesis and Reactivity of the 3-Alkylidene-3H-indole 1-Oxide Function of Avrainvillamide","Journal of the American Chemical Society","2003","125","","12080","12081","10.1021/ja0372006","","","0.71073","MoKα","","0.1893","0.0559","","","0.0926","0.1172","","","","","","0.727","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114265","6.8","0.002","9.819","0.002","16.63","0.004","90","","90","","90","","1110.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","02286vv","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Hui Xiong; Jian Huang; Sunil K. Ghosh; Richard P. Hsung","Stereoselective Intramolecular [4 + 3] Cycloadditions of Nitrogen-Stabilized Chiral Oxyallyl Cations via Epoxidation of N-Tethered Allenamides","Journal of the American Chemical Society","2003","125","","12694","12695","10.1021/ja030416n","","","0.71073","MoKα","","0.0417","0.0325","","","0.0794","0.0873","","","","","","1.049","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114271","13.753","0.0003","14.139","0.0003","17.572","0.0003","90","","90","","90","","3416.94","0.12","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C176 H136 N8 O16 -","8","2","","Yuri N. Belokon; Natalia B. Bespalova; Tatiana D. Churkina; Ivana Císařová; Marina G. Ezernitskaya; Syuzanna R. Harutyunyan; Radim Hrdina; Henri B. Kagan; Pavel Kočovský; Konstantin A. Kochetkov; Oleg V. Larionov; Konstantin A. Lyssenko; Michael North; Miroslav Polášek; Alexander S. Peregudov; Vladimir V. Prisyazhnyuk; Štěpán Vyskočil","Synthesis of α-Amino Acids via Asymmetric Phase Transfer-Catalyzed Alkylation of Achiral Nickel(II) Complexes of Glycine-Derived Schiff Bases","Journal of the American Chemical Society","2003","125","","12860","12871","10.1021/ja035465e","","","0.7107","MoKα","","0.0518","0.0434","","","0.0985","0.103","","","","","","1.064","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114295","14.983","0.002","20.812","0.006","5.729","0.004","90.11","0.04","89.99","0.03","89.99","0.02","1786.4","1.4","298.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Br O2 Si -","- C16 H21 Br O2 Si -","- C64 H84 Br4 O8 Si4 -","4","1","","Wei-Wei Liao; Kai Li; Yong Tang","Controllable Diastereoselective Cyclopropanation. Enantioselective Synthesis of Vinylcyclopropanes via Chiral Telluronium Ylides","Journal of the American Chemical Society","2003","125","","13030","13031","10.1021/ja036254c","","","0.7107","MoKα","","","0.042","","","","0.043","","","","","","0.74","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114297","6.1465","0.0005","16.5995","0.0014","19.958","0.0016","90","","90","","90","","2036.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Br O Si -","- C21 H23 Br O Si -","- C84 H92 Br4 O4 Si4 -","4","1","","Wei-Wei Liao; Kai Li; Yong Tang","Controllable Diastereoselective Cyclopropanation. Enantioselective Synthesis of Vinylcyclopropanes via Chiral Telluronium Ylides","Journal of the American Chemical Society","2003","125","","13030","13031","10.1021/ja036254c","","","0.71073","MoKα","","0.0837","0.038","","","0.0557","0.0612","","","","","","0.746","","","","has coordinates","178913","2020-10-21","18:00:00",""
"4114298","6.8502","0.0003","12.676","0.004","14.0451","0.0003","90","","90","","90","","1219.6","0.4","273.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Barry M. Trost; Oliver R. Thiel; Hon-Chung Tsui","Total Syntheses of Furaquinocin A, B, and E","Journal of the American Chemical Society","2003","125","","13155","13164","10.1021/ja0364118","","","0.7107","MoKα","","","0.041","","","","0.098","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114325","14.0023","0.0007","18.9516","0.001","22.5404","0.0011","90","","90","","90","","5981.5","0.5","122","2","122","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H80 F6 N6 O9 -","- C59.92 H85.4 F0.864 N6 O8.607 -","- C239.68 H341.6 F3.456 N24 O34.428 -","4","1","","Cindy W. Wu; Kent Kirshenbaum; Tracy J. Sanborn; James A. Patch; Kai Huang; Ken A. Dill; Ronald N. Zuckermann; Annelise E. Barron","Structural and Spectroscopic Studies of Peptoid Oligomers with α-Chiral Aliphatic Side Chains","Journal of the American Chemical Society","2003","125","","13525","13530","10.1021/ja037540r","","","0.71073","MoKα","","0.1403","0.0924","","","0.2247","0.2488","","","","","","1.513","","","","has coordinates,has disorder","178914","2020-10-21","18:00:00",""
"4114340","11.291","0.002","11.463","0.002","24.15","0.005","90","","90","","90","","3125.7","1","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H55 Ir N2 P2 -","- C29 H55 Ir N2 P2 -","- C116 H220 Ir4 N8 P8 -","4","1","","Mira Kanzelberger; Xiawei Zhang; Thomas J. Emge; Alan S. Goldman; Jing Zhao; Christopher Incarvito; John F. Hartwig","Distinct Thermodynamics for the Formation and Cleavage of N-H Bonds in Aniline and Ammonia. Directly-Observed Reductive Elimination of Ammonia from an Isolated Amido Hydride Complex","Journal of the American Chemical Society","2003","125","","13644","13645","10.1021/ja037363u","","","0.71073","MoKα","","0.0423","0.0335","","","0.0727","0.0763","","","","","","1.071","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4114414","10.15","0.002","19.125","0.004","20.818","0.004","90","","90","","90","","4041.2","1.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 Ir N O2 P2 -","- C47 H50 Ir N O2 P2 -","- C188 H200 Ir4 N4 O8 P8 -","4","1","","Christoph A. Kiener; Chutian Shu; Christopher Incarvito; John F. Hartwig","Identification of an Activated Catalyst in the Iridium-Catalyzed Allylic Amination and Etherification. Increased Rates, Scope, and Selectivity","Journal of the American Chemical Society","2003","125","","14272","14273","10.1021/ja038319h","","","0.71073","MoKα","","0.0542","0.0371","","","0.0685","0.074","","","","","","1.003","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114418","11.7693","0.0009","17.6598","0.0014","18.4591","0.0015","90","","90","","90","","3836.6","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H63 Lu N2 O2 Si4 -","- C29 H63 Lu N2 O2 Si4 -","- C116 H252 Lu4 N8 O8 Si16 -","4","1","","Sukwon Hong; Shun Tian; Matthew V. Metz; Tobin J. Marks","C2-Symmetric Bis(oxazolinato)lanthanide Catalysts for Enantioselective Intramolecular Hydroamination/Cyclization","Journal of the American Chemical Society","2003","125","","14768","14783","10.1021/ja0364672","","","0.71073","MoKα","","0.0428","0.0286","","","0.0588","0.0624","","","","","","0.954","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114443","7.661","0.002","10.758","0.003","11.453","0.003","90","","90","","90","","943.9","0.4","163.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Yuko Otani; Osamu Nagae; Yuji Naruse; Satoshi Inagaki; Masashi Ohno; Kentaro Yamaguchi; Gaku Yamamoto; Masanobu Uchiyama; Tomohiko Ohwada","An Evaluation of Amide Group Planarity in 7-Azabicyclo[2.2.1]heptane Amides. Low Amide Bond Rotation Barrier in Solution","Journal of the American Chemical Society","2003","125","","15191","15199","10.1021/ja036644z","","","0.7107","MoKα","","","0.0545","","","","0.075","","","","","","0.725","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114451","8.2431","0.0007","9.2094","0.0009","26.517","0.003","90","","90","","90","","2013","0.3","293","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O W -","- C21 H33 N O W -","- C84 H132 N4 O4 W4 -","4","1","","Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick","Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex","Journal of the American Chemical Society","2003","125","","15210","15223","10.1021/ja037076q","","","0.71073","MoKα","","0.0297","0.0246","","","0.0474","0.0487","","","","","","0.882","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114460","13.818","0.002","21.595","0.009","21.928","0.008","90","","90","","90","","6543","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Aib-Val-Gly-Leu-Aib-Val-D-Ala-D-Leu-Aib-OMe","t-Butyloxycarbonyl-leucyl-(alpha-aminoisobutyryl)-valyl-glycyl-leucyl- (alpha-aminoisobutyryl)-valyl-D-alanyl-D-leucyl-(alpha-aminoisobutyryl) methyl ester monohydrate","","- C51 H94 N10 O14 -","- C51 H92 N10 O14 -","- C204 H368 N40 O56 -","4","1","","Subrayashastry Aravinda; Narayanaswamy Shamala; Abhishek Bandyopadhyay; Padmanabhan Balaram","Probing the Role of the C-H...O Hydrogen Bond Stabilized Polypeptide Chain Reversal at the C-terminus of Designed Peptide Helices. Structural Characterization of Three Decapeptides","Journal of the American Chemical Society","2003","125","","15065","15075","10.1021/ja0372762","","","1.5418","CuKα","","0.1853","0.1059","","","0.2367","0.3042","","","","","","1.13","","","","has coordinates","178915","2020-10-21","18:00:00",""
"4114472","8.0871","0.0004","8.2042","0.0004","20.635","0.001","90","","90","","90","","1369.09","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O5 S -","- C13 H17 N O5 S -","- C52 H68 N4 O20 S4 -","4","1","","Eric R. Ashley; Ernest G. Cruz; Brian M. Stoltz","The Total Synthesis of (-)-Lemonomycin","Journal of the American Chemical Society","2003","125","","15000","15001","10.1021/ja039223q","","","0.71073","MoKα","","0.0298","0.0288","","","0.059","0.0591","","","","","","2.819","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114501","8.6145","0.0002","8.8525","0.0001","18.0214","0.0002","90","","90","","90","","1374.31","0.04","100","","100","","","","","","","","see paper","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Christophe Aïssa; Ricardo Riveiros; Jacques Ragot; Alois Fürstner","Total Syntheses of Amphidinolide T1, T3, T4, and T5","Journal of the American Chemical Society","2003","125","","15512","15520","10.1021/ja038216z","","","0.71073","MoKα","","0.0257","0.0252","","","0.075","0.0756","","","","","","1.162","","","","has coordinates","178916","2020-10-21","18:00:00",""
"4114520","7.4862","0.0011","7.6555","0.0012","33.449","0.005","90","","90","","90","","1917","0.5","173","2","173","2","","","","","","","D. Plaut, Prof. M. Ward","5","P 21 21 21","P 2ac 2ab","19","guanidinium_4'-hexylbiphenyl-4-sulfonate","","","- C19 H27 N3 O3 S -","- C19 H27 N3 O3 S -","- C76 H108 N12 O12 S4 -","4","1","","David J. Plaut; Stephen M. Martin; Kristian Kjaer; Markus J. Weygand; Meir Lahav; Leslie Leiserowitz; Isabelle Weissbuch; Michael D. Ward","Structural Characterization of Crystalline Ternary Inclusion Compounds at the Air-Water Interface","Journal of the American Chemical Society","2003","125","","15922","15934","10.1021/ja0371404","","","0.71073","MoKα","","0.0507","0.042","","","0.1112","0.1152","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114551","14.356","0.002","16.93","0.002","12.862","0.002","90","","90","","90","","3126.1","0.7","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-isobutyl-3-[(4S)-4-phenyl-2- oxo-1,3-oxazolidin-3-yl]-azetidin-2-one","","- C30 H44 N2 O3 Si2 -","- C30 H44 N2 O3 Si2 -","- C120 H176 N8 O12 Si8 -","4","1","","Claudio Palomo; Jesus M. Aizpurua; Ana Benito; José Ignacio Miranda; Raluca M. Fratila; Carlos Matute; Maria Domercq; Federico Gago; Sonsoles Martin-Santamaria; Anthony Linden","Development of a New Family of Conformationally Restricted Peptides as Potent Nucleators of β-Turns. Design, Synthesis, Structure, and Biological Evaluation of a β-Lactam Peptide Analogue of Melanostatin","Journal of the American Chemical Society","2003","125","","16243","16260","10.1021/ja038180a","","","0.71073","MoKα","","0.0536","0.0373","","0.0345","0.0331","0.0331","","","1.731","","","1.662","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114599","11.9966","0.0006","14.2977","0.0006","18.1645","0.0008","90","","90","","90","","3115.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H45 Fe2 N5 O4 S2 -","- C24 H41 Fe2 N5 O4 S2 -","- C96 H164 Fe8 N20 O16 S8 -","4","1","","Hongxiang Li; Thomas B. Rauchfuss","Iron Carbonyl Sulfides, Formaldehyde, and Amines Condense To Give the Proposed Azadithiolate Cofactor of the Fe-Only Hydrogenases","Journal of the American Chemical Society","2002","124","","726","727","10.1021/ja016964n","","","0.71073","MoKα","","0.0434","0.0296","","","0.0622","0.0641","","","","","","1.136","","","","has coordinates,has disorder","178916","2020-10-21","18:00:00",""
"4114623","10.0439","0.0006","10.7647","0.0007","35.262","0.002","90","","90","","90","","3812.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O -","- C24 H25 N O -","- C192 H200 N8 O8 -","8","2","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.1214","0.0592","","","0.1123","0.1366","","","","","","1.03","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114631","10.0585","0.0005","10.4847","0.0005","34.977","0.002","90","","90","","90","","3688.7","0.3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O S -","- C22 H23 N O S -","- C176 H184 N8 O8 S8 -","8","2","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0895","0.0544","","","0.0919","0.103","","","","","","1.059","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114632","10.0869","0.0006","10.8633","0.0006","35.817","0.002","90","","90","","90","","3924.7","0.4","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 F N O -","- C24 H24 F N O -","- C192 H192 F8 N8 O8 -","8","2","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0731","0.045","","","0.0937","0.1062","","","","","","1","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114634","8.3269","0.0004","8.4131","0.0004","29.128","0.002","90","","90","","90","","2040.6","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0658","0.0465","","","0.0931","0.102","","","","","","1.015","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114636","10.3574","0.0006","10.6801","0.0006","19.388","0.001","90","","90","","90","","2144.7","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N O -","- C28 H26 N O -","- C112 H104 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0712","0.0483","","","0.1169","0.1296","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4114637","8.4546","0.0007","22.244","0.002","32.612","0.002","90","","90","","90","","6133.1","0.8","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30.67 N O3 -","- C23 H30.6667 N O3 -","- C276 H368 N12 O36 -","12","3","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.1093","0.0735","","","0.1948","0.2281","","","","","","1","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114638","9.9023","0.0009","10.6217","0.0009","18.945","0.001","90","","90","","90","","1992.6","0.3","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0661","0.0413","","","0.0823","0.094","","","","","","1.055","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114640","7.698","0.003","15.236","0.006","17.271","0.007","90","","90","","90","","2025.7","1.4","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O -","- C25 H27 N O -","- C100 H108 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber","Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform","Journal of the American Chemical Society","2002","124","","1354","1363","10.1021/ja017248o","","","0.71073","MoKα","","0.0645","0.0418","","","0.0899","0.101","","","","","","1.017","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114680","7.4776","0.0017","9.396","0.002","22.56","0.005","90","","90","","90","","1585.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N Si -","- C15 H18 Br N Si -","- C60 H72 Br4 N4 Si4 -","4","1","","Song Ye; Zheng-Zheng Huang; Chun-An Xia; Yong Tang; Li-Xin Dai","A Novel Chiral Sulfonium Yilde: Highly Enantioselective Synthesis of Vinylcyclopropanes","Journal of the American Chemical Society","2002","124","","2432","2433","10.1021/ja0172969","","","0.71073","MoKα","","0.1153","0.0426","","","0.0815","0.0958","","","","","","0.739","","","","has coordinates","178917","2020-10-21","18:00:00",""
"4114719","7.0177","0.0009","13.6122","0.0018","22.516","0.003","90","","90","","90","","2150.9","0.5","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O9 -","- C21 H20 N2 O9 -","- C84 H80 N8 O36 -","4","1","","Steven R. Angle; Nahla A. El-Said","Stereoselective Synthesis of Tetrahydrofurans via Formal [3+2]-Cycloaddition of Aldehydes and Allylsilanes. Formal Total Synthesis of the Muscarine Alkaloids (-)-Allomuscarine and (+)-Epimuscarine","Journal of the American Chemical Society","2002","124","","3608","3613","10.1021/ja012193b","","","0.71073","MoKα","","0.0559","0.0359","","","0.0743","0.0811","","","","","","1.017","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114739","17.455","0.006","21.777","0.004","11.484","0.003","90","","90","","90","","4365","2","203.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H73 O2 P3 Pt -","- C42 H73 O2 P3 Pt -","- C168 H292 O8 P12 Pt4 -","4","1","","Li-Biao Han; Chang-Qiu Zhao; Shun-ya Onozawa; Midori Goto; Masato Tanaka","Retention of Configuration on the Oxidative Addition of P-H Bond to Platinum (0) Complexes: The First Straightforward Synthesis of Enantiomerically Pure P-Chiral Alkenylphosphinates via Palladium-Catalyzed Stereospecific Hydrophosphinylation of Alkynes","Journal of the American Chemical Society","2002","124","","3842","3843","10.1021/ja025816+","","","0.7107","MoKα","","","0.0486","","","","0.1258","","","","","","1.266","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114758","12.5835","0.0003","16.5181","0.0005","29.7871","0.0008","90","","90","","90","","6191.4","0.3","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H85 Cl4 Co N4 O6 -","- C60 H85 Cl4 Co N4 O6 -","- C240 H340 Cl16 Co4 N16 O24 -","4","1","","Rhiana Bobb; Gamil Alhakimi; Lisa Studnicki; Alan Lough; Jik Chin","Stereoselective Recognition of an Aziridine with a Co(III) Complex: A Potential Transition-State Analogue for Catalytic Epoxidation","Journal of the American Chemical Society","2002","124","","4544","4545","10.1021/ja017418x","","","0.7107","MoKα","","0.0825","0.0591","","","0.1326","0.1469","","","","","","1.057","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114766","8.4041","0.0006","12.1348","0.0008","26.9259","0.0018","90","","90","","90","","2746","0.3","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 Fe2 N2 -","- C31 H42 Fe2 N2 -","- C124 H168 Fe8 N8 -","4","1","","Michael M.-C. Lo; Gregory C. Fu","Cu(I)/Bis(azaferrocene)-Catalyzed Enantioselective Synthesis of β-Lactams via Couplings of Alkynes with Nitrones","Journal of the American Chemical Society","2002","124","","4572","4573","10.1021/ja025833z","","","0.71073","MoKα","","0.03","0.0296","","","0.0792","0.0795","","","","","","1.088","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4114775","10.0416","0.0008","11.4518","0.0008","18.8534","0.0009","90","","90","","90","","2168","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O2 -","- C26 H28.998 O2 -","- C104 H115.992 O8 -","4","1","","Susan E. Gibson; Hasim Ibrahim; Jonathan W. Steed","Intermolecular Interactions in (Arene)chromium Carbonyl Compounds: Prediction of Chiral Crystal Packing from Racemate Structure","Journal of the American Chemical Society","2002","124","","5109","5116","10.1021/ja012141m","","","0.71073","MoKα","","0.1144","0.068","","","0.1446","0.164","","","","","","1.044","","","","has coordinates,has disorder","178918","2020-10-21","18:00:00",""
"4114776","10.4305","0.0004","18.126","0.0008","30.9046","0.0011","90","","90","","90","","5842.9","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Cr2 O8 -","- C32 H30 Cr2 O8 -","- C256 H240 Cr16 O64 -","8","2","","Susan E. Gibson; Hasim Ibrahim; Jonathan W. Steed","Intermolecular Interactions in (Arene)chromium Carbonyl Compounds: Prediction of Chiral Crystal Packing from Racemate Structure","Journal of the American Chemical Society","2002","124","","5109","5116","10.1021/ja012141m","","","0.71073","MoKα","","0.0667","0.0494","","","0.119","0.1285","","","","","","1.01","","","","has coordinates","178918","2020-10-21","18:00:00",""
"4114790","7.2432","0.0004","12.3845","0.0009","21.8269","0.0014","90","","90","","90","","1957.9","0.2","200","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(-)-(1R,2S-[2S,2-bS])-2-[(2-methyl-hexahydro-pyrrolo[1,2-b]isoxazol- 2-ylmethyl)-amino]-1-phenyl-propan-1-ol bis-hydrochloride","","- C17 H30 Cl2 N2 O3 -","- C17 H28 Cl2 N2 O3 -","- C68 H112 Cl8 N8 O12 -","4","1","","Florian Viton; Gérald Bernardinelli; E. Peter Kündig","Iron and Ruthenium Lewis Acid Catalyzed Asymmetric 1,3-Dipolar Cycloaddition Reactions between Nitrones and Enals","Journal of the American Chemical Society","2002","124","","4968","4969","10.1021/ja017814f","","","0.71073","MoKα","","","0.038","","","","0.042","","","","","","1.809","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114801","9.6947","0.0006","12.0858","0.0008","21.2732","0.0014","90","","90","","90","","2492.5","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 B F10 Ta -","- C29 H22 B F10 Ta -","- C116 H88 B4 F40 Ta4 -","4","1","","Kevin S. Cook; Warren E. Piers; Robert McDonald","Synthesis and Chemistry of Zwitterionic Tantala-3-boratacyclopentenes: Olefin-like Reactivity of a Borataalkene Ligand","Journal of the American Chemical Society","2002","124","","5411","5418","10.1021/ja025547n","","","0.71073","MoKα","","0.0533","0.0367","","","0.0531","0.0564","","","","","","0.863","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114806","8.1983","0.0001","12.5454","0.0001","18.9873","0.0001","90","","90","","90","","1952.86","0.03","173","","173","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 Cr N2 O4 -","- C17 H28 Cr N2 O4 -","- C68 H112 Cr4 N8 O16 -","4","1","","Maxim Tafipolsky; Wolfgang Scherer; Karl Öfele; Georg Artus; Bjørn Pedersen; Wolfgang A. Herrmann; G. Sean McGrady","Electron Delocalization in Acyclic and N-Heterocyclic Carbenes and Their Complexes: A Combined Experimental and Theoretical Charge-Density Study","Journal of the American Chemical Society","2002","124","","5865","5880","10.1021/ja011761k","","","0.71073","MoKα","","0.0266","0.024","","","0.0582","0.0595","","","","","","1.04","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114816","7.452","0.004","10.874","0.005","31.285","0.013","90","","90","","90","","2535","2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 O8 S -","- C29 H26 O8 S -","- C116 H104 O32 S4 -","4","1","","David Crich; Jan Mataka; Lev N. Zakharov; Arnold L. Rheingold; Donald J. Wink","Stereoselective Formation of Glycosyl Sulfoxides and Their Subsequent Equilibration: Ring Inversion of an α-Xylopyranosyl Sulfoxide Dependent on the Configuration at Sulfur","Journal of the American Chemical Society","2002","124","","6028","6036","10.1021/ja0122694","","","0.71073","MoKα","","0.1168","0.0961","","","0.2025","0.2106","","","","","","1.313","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114821","7.6651","0.0005","13.3047","0.0007","23.7387","0.0012","90","","90","","90","","2420.9","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3'S,5'R)-N6-benzoyl-9-(2'-deoxy-3',5'-ethano-5',6'-methano -D-ribofuranosyl)adenine","","- C24 H31 N5 O6 -","- C24 H31 N5 O6 -","- C96 H124 N20 O24 -","4","1","","Dorte Renneberg; Christian J. Leumann","Watson-Crick Base-Pairing Properties of Tricyclo-DNA","Journal of the American Chemical Society","2002","124","","5993","6002","10.1021/ja025569+","","","0.71073","MoKα","","0.0725","0.0425","","","0.0928","0.1017","","","","","","0.89","","","","has coordinates,has disorder","178919","2020-10-21","18:00:00",""
"4114822","6.2225","0.0004","11.3686","0.0006","35.12","0.002","90","","90","","90","","2484.4","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3'S,5'R)-N4-Benzoyl-1-{5'-O-[(tert-butyl)dimethylsilyl]-2'-deoxy -3',5'-ethano-5',6'-methano-D-ribofuranosyl}cytidine","","- C25 H33 N3 O5 Si -","- C25 H33 N3 O5 Si -","- C100 H132 N12 O20 Si4 -","4","1","","Dorte Renneberg; Christian J. Leumann","Watson-Crick Base-Pairing Properties of Tricyclo-DNA","Journal of the American Chemical Society","2002","124","","5993","6002","10.1021/ja025569+","","","0.71073","MoKα","","0.0579","0.0441","","","0.0934","0.0997","","","","","","1.042","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114825","9.446","0.003","17.746","0.005","21.634","0.007","90","","90","","90","","3626.5","1.9","85","","85","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2b, [Fc""(CH)3Fc""]+[PF6]-","1,3-bis(2,3,4,5,1',2',3',4'-octamethylferrocen-1-yl)allylium hexafluorophosphate","","- C39 H53 F6 Fe2 P -","- C39 H53 F6 Fe2 P -","- C156 H212 F24 Fe8 P4 -","4","1","","Stephen Barlow; Lawrence M. Henling; Michael W. Day; William P. Schaefer; Jennifer C. Green; Tony Hascall; Seth R. Marder","Metallocene-Terminated Allylium Salts: The Effect of End Group on Localization in Polymethines","Journal of the American Chemical Society","2002","124","","6285","6296","10.1021/ja012472z","","","0.71073","MoKα","","0.034","0.0298","","","0.0587","0.0602","","","","","","1.507","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4114829","6.6894","0.0007","18.0963","0.0018","27.195","0.003","90","","90","","90","","3292","0.6","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 N2 O2 -","- C36 H54 N2 O2 -","- C144 H216 N8 O8 -","4","1","","Donald J. Darensbourg; Jason C. Yarbrough","Mechanistic Aspects of the Copolymerization Reaction of Carbon Dioxide and Epoxides, Using a Chiral Salen Chromium Chloride Catalyst","Journal of the American Chemical Society","2002","124","","6335","6342","10.1021/ja012714v","","","0.71073","MoKα","","0.1164","0.0629","","","0.1319","0.155","","","","","","0.828","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114834","13.654","0.009","13.776","0.008","32.91","0.01","90","","90","","90","","6190","6","294.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H72 I4 Ir4 N8 -","- C51 H64 I4 Ir4 N8 -","- C204 H256 I16 Ir16 N32 -","4","1","","Yoshiaki Tanabe; Shigeki Kuwata; Youichi Ishii","Syntheses and Skeletal Transformations of NCNH- and NCN-Bridged Tetrairidium(III) Cages","Journal of the American Chemical Society","2002","124","","6528","6529","10.1021/ja017436e","","","0.7107","MoKα","","","0.05","","","","0.0499","","","","","","1.373","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114857","15.722","0.001","27.7418","0.0008","30.0706","0.0007","90","","90","","90","","13115.5","1","150.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C144 H166 B2 N4 O2 P4 Ru2 -","- C142 H122 B2 N4 O2 P4 Ru2 -","- C568 H488 B8 N16 O8 P16 Ru8 -","4","1","","Takeshi Ohkuma; Masatoshi Koizumi; Kilian Muñiz; Gerhard Hilt; Chizuko Kabuto; Ryoji Noyori","trans-RuH(η1-BH4)(binap)(1,2-diamine): A Catalyst for Asymmetric Hydrogenation of Simple Ketones under Base-Free Conditions","Journal of the American Chemical Society","2002","124","","6508","6509","10.1021/ja026136+","","","0.7107","MoKα","","","0.0483","","","","0.0559","","","","","","0.819","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114858","7.2867","0.0002","12.3688","0.0004","19.2042","0.0005","90","","90","","90","","1730.83","0.09","122.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 S -","- C19 H23 N O2 S -","- C76 H92 N4 O8 S4 -","4","1","","Takuya Kochi; Tony P. Tang; Jonathan A. Ellman","Asymmetric Synthesis of syn- and anti-1,3-Amino Alcohols","Journal of the American Chemical Society","2002","124","","6518","6519","10.1021/ja026292g","","","0.7107","MoKα","","","0.0319","","","","0.0373","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114859","5.8532","0.0008","11.64","0.002","26.638","0.003","90","","90","","90","","1814.9","0.4","133.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N O3 S -","- C19 H25 N O2 S -","- C76 H100 N4 O8 S4 -","4","1","","Takuya Kochi; Tony P. Tang; Jonathan A. Ellman","Asymmetric Synthesis of syn- and anti-1,3-Amino Alcohols","Journal of the American Chemical Society","2002","124","","6518","6519","10.1021/ja026292g","","","0.7107","MoKα","","","0.0504","","","","0.0469","","","","","","1.173","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114862","8.0586","0.0001","16.9207","0.0003","17.8474","0.0003","90","","90","","90","","2433.62","0.07","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 F2 N O2 S Si -","- C23 H33 F2 N O2 S Si -","- C92 H132 F8 N4 O8 S4 Si4 -","4","1","","Qilong Shen; Gerald B. Hammond","Regiospecific Synthesis of Bicyclo- and Heterobicyclo-gem-difluorocyclobutenes Using Functionalized Fluoroallenes and a Novel Mo-Catalyzed Intramolecular [2 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2002","124","","6534","6535","10.1021/ja0263893","","","0.71073","MoKα","","0.0499","0.0379","","","0.0835","0.0893","","","","","","1.026","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114863","8.276","0.0001","17.1805","0.0003","18.292","0.0003","90","","90","","90","","2600.86","0.07","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 F2 N O2 S Si -","- C24 H35 F2 N O2 S Si -","- C96 H140 F8 N4 O8 S4 Si4 -","4","1","","Qilong Shen; Gerald B. Hammond","Regiospecific Synthesis of Bicyclo- and Heterobicyclo-gem-difluorocyclobutenes Using Functionalized Fluoroallenes and a Novel Mo-Catalyzed Intramolecular [2 + 2] Cycloaddition Reaction","Journal of the American Chemical Society","2002","124","","6534","6535","10.1021/ja0263893","","","0.71073","MoKα","","0.0534","0.0435","","","0.1099","0.118","","","","","","1.056","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114873","21.4033","0.0014","24.3825","0.0015","24.4347","0.0015","90","","90","","90","","12751.6","1.4","168","2","168","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sn3(THME)2","","","- C10 H18 O6 Sn3 -","- C10 H18 O6 Sn3 -","- C320 H576 O192 Sn96 -","32","8","","Timothy J. Boyle; Judith M. Segall; Todd M. Alam; Mark A. Rodriguez; Jessica M. Santana","Chemistry of a Novel Family of Tridentate Alkoxy Tin(II) Clusters","Journal of the American Chemical Society","2002","124","","6904","6913","10.1021/ja0202309","","","0.71073","MoKα","","0.0695","0.0433","","","0.0752","0.0801","","","","","","1.274","","","","has coordinates","178919","2020-10-21","18:00:00",""
"4114901","10.1178","0.0003","5.6413","0.0001","24.525","0.0008","90","","90","","90","","1399.83","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H22 B9 N -","- C7 H22 B9 N -","- C28 H88 B36 N4 -","4","1","","Jonathan Bould; Robert Greatrex; John D. Kennedy; Daniel L. Ormsby; Michael G. S. Londesborough; Karen L. F. Callaghan; Mark Thornton-Pett; Trevor R. Spalding; Simon J. Teat; William Clegg; Hong Fang; Nigam P. Rath; Lawrence Barton","Structural Chemistry of arachno-Nonaboranes","Journal of the American Chemical Society","2002","124","","7429","7439","10.1021/ja025700d","","","0.71073","MoKα","","0.0505","0.0395","","","0.088","0.093","","","","","","1.049","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114904","12.041","0.0002","18.204","0.0003","18.59","0.0003","90","","90","","90","","4074.82","0.12","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Ga-NO2-corrole","","","- C48 H18 F15 Ga N6 O2 -","- C48 H18 F15 Ga N6 O2 -","- C192 H72 F60 Ga4 N24 O8 -","4","1","","Irena Saltsman; Atif Mahammed; Israel Goldberg; Elena Tkachenko; Mark Botoshansky; Zeev Gross","Selective Substitution of Corroles: Nitration, Hydroformylation, and Chlorosulfonation","Journal of the American Chemical Society","2002","124","","7411","7420","10.1021/ja025851g","","","0.7107","MoKα","","0.0637","0.0459","","","0.1019","0.1127","","","","","","1.014","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114909","11.8195","0.0008","12.8382","0.0008","13.5007","0.0009","90","","90","","90","","2048.6","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H27 Cl3 O10 P3 Rh -","- C9 H18 Cl3 O10 P3 Rh -","- C36 H72 Cl12 O40 P12 Rh4 -","4","1","","Kannan Raghuraman; Nagavarakishore Pillarsetty; Wynn A. Volkert; Charles Barnes; Silvia Jurisson; Kattesh V. Katti","Exceptional Kinetic Propensity of Hydroxymethyl Phosphanes toward Rh(III) Stabilization in Water","Journal of the American Chemical Society","2002","124","","7276","7277","10.1021/ja025987e","","","0.71073","MoKα","","0.0741","0.0503","","","0.1154","0.1248","","","","","","1.025","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114926","8.0441","0.001","14.6679","0.0018","17.537","0.002","90","","90","","90","","2069.2","0.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Al B11 Br6 -","- C5 H16 Al B11 Br6 -","- C20 H64 Al4 B44 Br24 -","4","1","","Kee-Chan Kim; Christopher A. Reed; Gregory S. Long; Ayusman Sen","Et2Al+ Alumenium Ion-like Chemistry. Synthesis and Reactivity toward Alkenes and Alkene Oxides","Journal of the American Chemical Society","2002","124","","7662","7663","10.1021/ja0259990","","","0.71073","MoKα","","0.0331","0.0287","","","0.0623","0.0631","","","","","","1.01","","","","has coordinates,has disorder","178920","2020-10-21","18:00:00",""
"4114943","10.994","0.003","11.951","0.004","13.757","0.004","90","","90","","90","","1807.5","0.9","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Phil S. Baran; E. J. Corey","A Short Synthetic Route to (+)-Austamide, (+)-Deoxyisoaustamide, and (+)-Hydratoaustamide from a Common Precursor by a Novel Palladium-Mediated Indole →Dihydroindoloazocine Cyclization","Journal of the American Chemical Society","2002","124","","7904","7905","10.1021/ja026663t","","","0.71073","MoKα","","0.1497","0.0557","","","0.0689","0.085","","","","","","0.857","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114960","8.165","0.002","16.293","0.002","17.512","0.003","90","","90","","90","","2329.7","0.8","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N2 O4 -","- C25 H36 N2 O4 -","- C100 H144 N8 O16 -","4","1","","John M. Humphrey; Yusheng Liao; Amjad Ali; Tobias Rein; Yue-Ling Wong; Hui-Ju Chen; Anne K. Courtney; Stephen F. Martin","Enantioselective Total Syntheses of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2002","124","","8584","8592","10.1021/ja0202964","","","0.71073","MoKα","","0.1819","0.0699","","0.1469","0.1039","","","","1","1.094","1.094","","","","","has coordinates","178920","2020-10-21","18:00:00",""
"4114977","5.766","0.002","8.861","0.01","32.978","0.018","90","0","90","0","90","0","1685","2","298","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Akikazu Matsumoto; Toshihiro Tanaka; Takashi Tsubouchi; Kohji Tashiro; Seishi Saragai; Shinsuke Nakamoto","Crystal Engineering for Topochemical Polymerization of Muconic Esters Using Halogen-Halogen and CH/π Interactions as Weak Intermolecular Interactions","Journal of the American Chemical Society","2002","124","","8891","8902","10.1021/ja0205333","","","0.71073","xray","","","0.0387","","","0.0393","","","","","1.673","1.673","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115029","4.5386","0.0004","14.2658","0.001","14.3779","0.0011","90","","90","","90","","930.92","0.13","25","5","25","5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H3 Cl N3 S4 -","- C6 H3 Cl N3 S4 -","- C24 H12 Cl4 N12 S16 -","4","1","","Leanne Beer; Jaclyn L. Brusso; A. Wallace Cordes; Robert C. Haddon; Mikhail E. Itkis; Kristin Kirschbaum; Douglas S. MacGregor; Richard T. Oakley; A. Alan Pinkerton; Robert W. Reed","Resonance-Stabilized 1,2,3-Dithiazolo-1,2,3-dithiazolyls as Neutral π-Radical Conductors","Journal of the American Chemical Society","2002","124","","9498","9509","10.1021/ja026118s","","","0.71073","MoKα","","0.0525","0.0493","","","0.1063","0.1075","","","","","","1.193","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115030","4.2464","0.0012","15.194","0.005","15.069","0.004","90","","90","","90","","972.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H3 Cl N3 S4 -","- C6 H3 Cl N3 S4 -","- C24 H12 Cl4 N12 S16 -","4","1","","Leanne Beer; Jaclyn L. Brusso; A. Wallace Cordes; Robert C. Haddon; Mikhail E. Itkis; Kristin Kirschbaum; Douglas S. MacGregor; Richard T. Oakley; A. Alan Pinkerton; Robert W. Reed","Resonance-Stabilized 1,2,3-Dithiazolo-1,2,3-dithiazolyls as Neutral π-Radical Conductors","Journal of the American Chemical Society","2002","124","","9498","9509","10.1021/ja026118s","","","0.7107","MoKα","","0.0478","0.0314","","","0.0544","0.0578","","","","","","0.834","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115050","7.8177","0.0004","14.3141","0.0009","20.5603","0.001","90","","90","","90","","2300.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Mo N2 O -","- C27 H30 Mo N2 O -","- C108 H120 Mo4 N8 O4 -","4","1","","Kenji Wada; Craig B. Pamplin; Peter Legzdins","Parallel Modes of C-H Bond Activation Initiated by Cp*Mo(NO)(CH2CMe3)(C6H5) at Ambient Temperatures1","Journal of the American Chemical Society","2002","124","","9680","9681","10.1021/ja027080m","","","0.71073","MoKα","","0.0516","0.0345","","","0.0852","0.0902","","","","","","0.928","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115082","7.6096","0.0006","8.7046","0.0007","21.8164","0.0018","90","","90","","90","","1445.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","","Aaron Wrobleski; Kiran Sahasrabudhe; Jeffrey Aubé","Asymmetric Total Synthesis of Dendrobatid Alkaloid 251F","Journal of the American Chemical Society","2002","124","","9974","9975","10.1021/ja027113y","","","0.71073","MoKα","","0.0466","0.0419","","","0.1015","0.1047","","","","","","1.047","","","","has coordinates","178921","2020-10-21","18:00:00",""
"4115155","14.44","0.005","4.852","0.002","27.377","0.011","90","","90","","90","","1918.1","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","fumaric acid bis(leucine methyl ester) amide","(S)-Leucine-N,N'-[(2E)-1,4-dioxo-2-butene-1,4-diyl)bis-dimethyl ester","","- C18 H30 N2 O6 -","- C18 H30 N2 O6 -","- C72 H120 N8 O24 -","4","1","","Paul W. Baures; Alicia M. Beatty; Muthu Dhanasekaran; Brian A. Helfrich; Waleska Pérez-Segarra; John Desper","Solution and Solid-State Models of Peptide CH...O Hydrogen Bonds","Journal of the American Chemical Society","2002","124","","11315","11323","10.1021/ja0257366","","","0.71073","MoKα","","0.1556","0.0687","","","0.1676","0.2035","","","","","","0.977","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115156","12.8215","0.0001","18.7191","0.0001","19.8293","0.0004","90","","90","","90","","4759.17","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H84 Al4 N2 P2 Ti2 -","- C36 H84 Al4 N2 P2 Ti2 -","- C144 H336 Al16 N8 P8 Ti8 -","4","1","","James E. Kickham; Frédéric Guérin; Douglas W. Stephan","Divergent Pathways of C-H Bond Activation: Reactions of (t-Bu3PN)2TiMe2 with Trimethylaluminum","Journal of the American Chemical Society","2002","124","","11486","11494","10.1021/ja0260972","","","0.71073","MoKα","","0.1055","0.0629","","","0.1458","0.1684","","","","","","0.964","","","","has coordinates","178922","2020-10-21","18:00:00",""
"4115169","13.3899","0.0003","16.3267","0.0003","28.0813","0.0007","90","","90","","90","","6138.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H90 Cl4 N8 O4 -","- C62 H90 Cl4 N8 O4 -","- C248 H360 Cl16 N32 O16 -","4","1","","Philip A. Gale; Korakot Navakhun; Salvatore Camiolo; Mark E. Light; Michael B. Hursthouse","Anion-Anion Assembly: A New Class of Anionic Supramolecular Polymer Containing 3,4-Dichloro-2,5-diamido-substituted Pyrrole Anion Dimers","Journal of the American Chemical Society","2002","124","","11228","11229","10.1021/ja027118v","","","0.71073","MoKα","","0.1866","0.1119","","","0.2814","0.3306","","","","","","1.064","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4115184","6.8502","0.0003","12.676","0.004","14.0451","0.0003","90","","90","","90","","1219.6","0.4","273.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Barry M. Trost; Oliver R. Thiel; Hon-Chung Tsui","DYKAT of Baylis-Hillman Adducts: Concise Total Synthesis of Furaquinocin E","Journal of the American Chemical Society","2002","124","","11616","11617","10.1021/ja0277834","","","0.7107","MoKα","","","0.041","","","","0.098","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115225","11.201","0.001","19.401","0.002","40.438","0.006","90","","90","","90","","8787.6","1.8","253.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H130 N12 O19 S -","- C76 H130 N12 O19 S -","- C304 H520 N48 O76 S4 -","4","1","","Keiichi Yamada; Masafumi Unno; Kyoko Kobayashi; Hiroyuki Oku; Hatsuo Yamamura; Shuki Araki; Hideyuki Matsumoto; Ryoichi Katakai; Masao Kawai","Stereochemistry of Protected Ornithine Side Chains of Gramicidin S Derivatives: X-ray Crystal Structure of the Bis-Boc-tetra-N-methyl Derivative of Gramicidin S","Journal of the American Chemical Society","2002","124","","12684","12688","10.1021/ja020307t","","","0.7092","MoKα","","","0.0877","","","","0.244","","","","","","1.464","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115234","10.1293","0.0006","10.428","0.001","13.195","0.001","90","","90","","90","","1393.77","0.19","299","","299","","","","","","","","local laboratory","4","P 21 21 21","P 2ac 2ab","19","","α-1-ammmonium-2(3-indolyl)-cyclohexanecarboxylate monohydrate","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Bo Liu; Reema K. Thalji; Paul D. Adams; Frank R. Fronczek; Mark L. McLaughlin; Mary D. Barkley","Fluorescence ofcis-1-Amino-2-(3-indolyl)cyclohexane-1-carboxylic Acid: A Single Tryptophan χ1Rotamer Model","Journal of the American Chemical Society","2002","124","","13329","13338","10.1021/ja016542d","","","1.54184","Cu-Kα","","0.032","0.03","","0.038","0.038","","","","1.639","1.636","1.636","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4115319","8.6258","0.0009","10.158","0.001","20.659","0.002","90","","90","","90","","1810.2","0.3","273.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C76 H120 O16 -","4","1","","Paul A. Wender; Jeremy L. Baryza; Chad E. Bennett; F. Christopher Bi; Stacey E. Brenner; Michael O. Clarke; Joshua C. Horan; Cindy Kan; Emmanuel Lacôte; Blaise Lippa; Peter G. Nell; Tim M. Turner","The Practical Synthesis of a Novel and Highly Potent Analogue of Bryostatin","Journal of the American Chemical Society","2002","124","","13648","13649","10.1021/ja027509+","","","0.7107","MoKα","","","0.036","","","","0.066","","","","","","0.863","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115367","9.121","0.007","16.772","0.01","16.949","0.008","90","","90","","90","","2593","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(R)-1,2-bis(ethoxycarbonyl)ethyl-d1a](pyridine-d5)- bis(dimethylglyoxymato-d6)cobalt(III)","","- C21 H14 Co D18 N5 O8 -","- C21 H32 Co N5 O8 -","- C84 H128 Co4 N20 O32 -","4","1","","Takashi Ohhara; Susumu Ikeda; Hiroyuki Imura; Hidehiro Uekusa; Yuji Ohashi; Ichiro Tanaka; Nobuo Niimura","Direct Observation of Deuterium Migration in Crystalline-State Reaction by Single Crystal Neutron Diffraction IV. ""Hula-Twist"" Rotation of a Long Alkyl Radical Produced by Photoirradiation","Journal of the American Chemical Society","2002","124","","14736","14740","10.1021/ja027872g","","","0.71073","MoKα","","0.0486","0.0398","","","0.1065","0.1133","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4115368","9.133","0.001","16.813","0.001","16.911","0.001","90","","90","","90","","2596.7","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(R)-1,2-bis(ethoxycarbonyl)ethyl-d1a](pyridine-d5)- bis(dimethylglyoxymato-d6)cobalt(III)","","- C21 H14 Co D18 N5 O8 -","- C20.984 H13.974 Co D18.004 N5 O7.992 -","- C83.936 H55.896 Co4 D72.016 N20 O31.968 -","4","1","","Takashi Ohhara; Susumu Ikeda; Hiroyuki Imura; Hidehiro Uekusa; Yuji Ohashi; Ichiro Tanaka; Nobuo Niimura","Direct Observation of Deuterium Migration in Crystalline-State Reaction by Single Crystal Neutron Diffraction IV. ""Hula-Twist"" Rotation of a Long Alkyl Radical Produced by Photoirradiation","Journal of the American Chemical Society","2002","124","","14736","14740","10.1021/ja027872g","","neutron","1.23","Neutron","","0.1319","0.1256","","","0.3065","0.3098","","","","","","2.754","","","","has coordinates,has disorder","178924","2020-10-21","18:00:00",""
"4115375","10.6872","0.0003","17.5724","0.0006","27.1237","0.0012","90","","90","","90","","5093.8","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H46 O P2 Ru -","- C60 H45 O P2 Ru -","- C240 H180 O4 P8 Ru4 -","4","1","","Kamaluddin Abdur-Rashid; Sean E. Clapham; Alen Hadzovic; Jeremy N. Harvey; Alan J. Lough; Robert H. Morris","Mechanism of the Hydrogenation of Ketones Catalyzed by trans-Dihydrido(diamine)ruthenium(II) Complexes","Journal of the American Chemical Society","2002","124","","15104","15118","10.1021/ja016817p","","","0.71073","MoKα","","0.064","0.048","","","0.1079","0.1141","","","","","","1.03","","","","has coordinates","178924","2020-10-21","18:00:00",""
"4115436","10.7903","0.0011","15.1341","0.0012","17.7815","0.0014","90","","90","","90","","2903.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Fe2 N2 Se2 -","- C28 H36 Fe2 N2 Se2 -","- C112 H144 Fe8 N8 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.1318","0.0536","","0.129","0.0978","","","","1.054","1.154","1.154","","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115438","8.778","0.003","12.643","0.003","20.268","0.004","90","","90","","90","","2249.3","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 Se2 -","- C22 H22 N2 O2 Se2 -","- C88 H88 N8 O8 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.09","0.0456","","0.1033","0.0869","","","","1.061","1.14","1.14","","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115439","7.6738","0.001","11.0274","0.0011","26.127","0.003","90","","90","","90","","2210.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 Se2 -","- C24 H24 N2 Se2 -","- C96 H96 N8 Se8 -","4","1","","G. Mugesh; Arunashree Panda; Harkesh B. Singh; Narayan S. Punekar; Ray J. Butcher","Glutathione Peroxidase-like Antioxidant Activity of Diaryl Diselenides: A Mechanistic Study","Journal of the American Chemical Society","2001","123","","839","850","10.1021/ja994467p","","","0.71073","MoKα","","0.1525","0.0564","","0.1661","0.1015","","","","1.033","1.058","1.058","","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115459","6.0506","0.0006","17.507","0.002","22.199","0.002","90","","90","","90","","2351.5","0.4","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 O2 -","- C27 H42 O2 -","- C108 H168 O8 -","4","1","","Teck-Peng Loh; Qi-Ying Hu; Li-Ting Ma","Formation of Tetrahydrofuran from Homoallylic Alcohol via a Tandem Sequence: 2-Oxonia [3,3]-Sigmatropic Rearrangement/Cyclization Catalyzed by In(OTf)3","Journal of the American Chemical Society","2001","123","","2450","2451","10.1021/ja005831j","","","0.71073","MoKα","","0.1264","0.0721","","","0.1474","0.1689","","","","","","0.981","","","","has coordinates,has disorder","178925","2020-10-21","18:00:00",""
"4115481","13.328","0.0013","17.41","0.0017","29.76","0.003","90","0.009","90","0.009","90","0.009","6905.5","1.2","100","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H98 O36.078 -","- C56 H98 O36.079 -","- C224 H392 O144.316 -","4","1","","John J. Stezowski; William Parker; Sherri Hilgenkamp; Maria Gdaniec","Pseudopolymorphism in Tetradeca-2,6-O-methyl-β-cyclodextrin: The Crystal Structures for Two New Hydrates Conformational Variability in the Alkylated β-Cyclodextrin Molecule","Journal of the American Chemical Society","2001","123","","3919","3926","10.1021/ja002164l","","","0.71073","MoKα","","0.117","0.07","","0.154","","0.116","","","1.154","","","1.29","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4115482","13.976","0.007","20.763","0.007","28.807","0.008","90","","90","","90","","8359","6","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H97 O49.7 -","- C56 H97 O49.7 -","- C224 H388 O198.8 -","4","1","","John J. Stezowski; William Parker; Sherri Hilgenkamp; Maria Gdaniec","Pseudopolymorphism in Tetradeca-2,6-O-methyl-β-cyclodextrin: The Crystal Structures for Two New Hydrates Conformational Variability in the Alkylated β-Cyclodextrin Molecule","Journal of the American Chemical Society","2001","123","","3919","3926","10.1021/ja002164l","","","0.71073","MoKα","","0.133","0.088","","0.166","","0.142","","","1.24","","","1.545","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4115492","14.687","0.0003","20.6491","0.0003","27.5075","0.0002","90","","90","","90","","8342.3","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C99 H90 Cl4 N4 Ru -","- C99 H90 Cl4 N4 Ru -","- C396 H360 Cl16 N16 Ru4 -","4","1","","Chi-Ming Che; Jie-Sheng Huang; Fu-Wa Lee; Yan Li; Tat-Shing Lai; Hoi-Lun Kwong; Pang-Fei Teng; Wing-Sze Lee; Wai-Cheung Lo; Shie-Ming Peng; Zhong-Yuan Zhou","Asymmetric Inter- and Intramolecular Cyclopropanation of Alkenes Catalyzed by Chiral Ruthenium Porphyrins. Synthesis and Crystal Structure of a Chiral Metalloporphyrin Carbene Complex","Journal of the American Chemical Society","2001","123","","4119","4129","10.1021/ja001416f","","","0.71073","MoKα","","0.1421","0.0808","","0.2101","0.1756","","","","1.017","1.081","1.081","","","","","has coordinates","178925","2020-10-21","18:00:00",""
"4115518","7.4659","0.0004","13.7874","0.0008","29.0841","0.0016","90","","90","","90","","2993.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(guanidinium) 4,4'-diphenyletherdisulfonate, acetonitrile clathrate","","","- C20 H29 N9 O7 S2 -","- C20 H29 N9 O7 S2 -","- C80 H116 N36 O28 S8 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0668","0.0564","","","0.1453","0.1493","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115519","7.5839","0.0004","14.228","0.0008","27.7485","0.0016","90","","90","","90","","2994.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(guanidinium) 4,4'-diphenyletherdisulfonate, mesitylene, methanol clathrate","","","- C24 H36 N6 O8 S2 -","- C24 H36 N6 O8 S2 -","- C96 H144 N24 O32 S8 -","4","1","","K. Travis Holman; Stephen M. Martin; Daniel P. Parker; Michael D. Ward","The Generality of Architectural Isomerism in Designer Inclusion Frameworks","Journal of the American Chemical Society","2001","123","","4421","4431","10.1021/ja0030257","","","0.71073","MoKα","","0.0553","0.0408","","","0.1044","0.1095","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115536","9.886","0.001","37.5","0.004","6.5844","0.0007","90","","90","","90","","2441","0.4","212.8","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 O5 -","- C26 H44 O5 -","- C104 H176 O20 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.0666","","","","0.1154","","","","","","1.553","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115537","17.829","0.01","18.906","0.004","8.282","0.001","90","","90","","90","","2791.7","1.7","288.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 N O5 -","- C28 H47 N O5 -","- C112 H188 N4 O20 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.0599","","","","0.1553","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115538","17.772","0.003","19.183","0.003","8.406","0.001","90","","90","","90","","2865.8","0.7","288.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H47 N O5 -","- C28 H46 N O5 -","- C112 H184 N4 O20 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.1147","","","","0.2602","","","","","","2.199","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4115539","14.718","0.003","26.601","0.005","8.294","0.001","90","","90","","90","","3247.2","1","212.7","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 O6 -","- C34 H52 O6 -","- C136 H208 O24 -","4","1","","Kazuki Sada; Michihiro Sugahara; Kazuaki Kato; Mikiji Miyata","Controlled Expansion of a Molecular Cavity in a Steroid Host Compound","Journal of the American Chemical Society","2001","123","","4386","4392","10.1021/ja0038528","","","0.7107","MoKα","","","0.0852","","","","0.229","","","","","","1.217","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115546","13.1394","0.0001","23.1711","0.0003","5.6267","0.0001","90","","90","","90","","1713.07","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié","Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs","Journal of the American Chemical Society","2001","123","","4469","4474","10.1021/ja010222c","","","0.71069","MoKα","","0.0392","0.0358","","0.0835","0.0814","","","","1.044","1.051","1.051","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115547","12.7757","0.0003","22.5429","0.0005","5.7753","0.0001","90","","90","","90","","1663.29","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C64 H92 N4 O20 -","4","1","","Bo Liang; David J. Richard; Padma S. Portonovo; Madeleine M. Joullié","Total Syntheses and Biological Investigations of Tamandarins A and B and Tamandarin A Analogs","Journal of the American Chemical Society","2001","123","","4469","4474","10.1021/ja010222c","","","0.71069","MoKα","","0.051","0.0456","","0.1078","0.1038","","","","1.163","1.168","1.168","","","","","has coordinates","178926","2020-10-21","18:00:00",""
"4115565","10.911","0.001","17.975","0.002","6.865","0.001","90","","90","","90","","1346.4","0.3","298.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N S -","- C14 H23 N S -","- C56 H92 N4 S4 -","4","1","","Ilya D. Gridnev; Masaya Yasutake; Natsuka Higashi; Tsuneo Imamoto","Asymmetric Hydrogenation of Enamides with Rh-BisP* and Rh-MiniPHOS Catalysts. Scope, Limitations, and Mechanism","Journal of the American Chemical Society","2001","123","","5268","5276","10.1021/ja010161i","","","1.5418","CuKα","","","0.0487","","","","0.0658","","","","","","1.708","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115625","11.168","0.0015","15.415","0.003","16.456","0.003","90","","90","","90","","2833","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tp'Rh(CNneopentyl)(ethyl)Cl","","","- C23 H38 B Cl N7 Rh -","- C23 H38 B Cl N7 Rh -","- C92 H152 B4 Cl4 N28 Rh4 -","4","1","","Todd O. Northcutt; Douglas D. Wick; Andrew J. Vetter; William D. Jones","Investigation of the Mechanism of Alkane Reductive Elimination and Skeletal Isomerization in Tp'Rh(CNneopentyl)(R)H Complexes: The Role of Alkane Complexes","Journal of the American Chemical Society","2001","123","","7257","7270","10.1021/ja003944x","","","0.71073","MoKα","","0.0537","0.0365","","0.0962","0.0843","","","","0.616","0.594","0.594","","","","","has coordinates","178927","2020-10-21","18:00:00",""
"4115631","14.4792","0.0002","14.5693","0.0002","19.7456","0.0003","90","","90","","90","","4165.37","0.1","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","RuH2(R-binap)(tmen)","","","- C50 H50 N2 P2 Ru -","- C50 H50 N2 P2 Ru -","- C200 H200 N8 P8 Ru4 -","4","1","","Kamaluddin Abdur-Rashid; Michael Faatz; Alan J. Lough; Robert H. Morris","Catalytic Cycle for the Asymmetric Hydrogenation of Prochiral Ketones to Chiral Alcohols: Direct Hydride and Proton Transfer from Chiral Catalysts trans-Ru(H)2(diphosphine)(diamine) to Ketones and Direct Addition of Dihydrogen to the Resulting Hydridoamido Complexes","Journal of the American Chemical Society","2001","123","","7473","7474","10.1021/ja015902u","","","0.71073","MoKα","","0.0435","0.0342","","","0.0699","0.0739","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115633","17.833","0.002","21.556","0.005","9.518","0.002","90","","90","","90","","3658.8","1.2","20","","20","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H39 Fe N2 O3 P -","- C172 H156 Fe4 N8 O12 P4 -","- C172 H156 Fe4 N8 O12 P4 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.051","","","0.052","","","","","1.43","1.43","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115634","13.701","0.003","19.894","0.002","13.366","0.003","90","","90","","90","","3643.1","1.2","20","","20","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Fe N2 O3 P -","- C160 H164 Fe4 N8 O12 P4 -","- C160 H164 Fe4 N8 O12 P4 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.04","","","0.043","","","","","1.44","1.44","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115637","17.917","0.002","19.423","0.007","9.987","0.001","90","","90","","90","","3475.5","1.4","20","","20","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Fe N2 O3 P -","- C160 H164 Fe4 N8 O12 P4 -","- C160 H164 Fe4 N8 O12 P4 -","","","","Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai","Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands","Journal of the American Chemical Society","2001","123","","7471","7472","10.1021/ja016121w","","","0.7107","MoKalpha","","","0.038","","","0.04","","","","","1.27","1.27","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115692","17.2502","0.0008","17.8934","0.0006","9.8489","0.0002","90","","90","","90","","3040.01","0.18","173.2","","173.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 F P Si2 -","- C36 H32 F P Si2 -","- C144 H128 F4 P4 Si8 -","4","1","","Akio Toshimitsu; Tomoyuki Saeki; Kohei Tamao","Phosphonium Sila-ylide: Reaction Pathway Different from Ammonium Sila-ylide but Similar to Phosphonium Ylide","Journal of the American Chemical Society","2001","123","","9210","9211","10.1021/ja0160602","","","0.7107","MoKα","","0.0362","0.0362","","","0.0488","0.0488","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115717","12.763","0.003","13.877","0.007","19.551","0.007","90","","90","","90","","3463","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 Cl F6 Fe P3 -","- C36 H39 Cl F6 Fe P3 -","- C144 H156 Cl4 F24 Fe4 P12 -","4","1","","Mats Tilset; Irene Fjeldahl; Jean-René Hamon; Paul Hamon; Loïc Toupet; Jean-Yves Saillard; Karine Costuas; Anthony Haynes","Theoretical, Thermodynamic, Spectroscopic, and Structural Studies of the Consequences of One-Electron Oxidation on the Fe-X Bonds in 17- and 18-Electron Cp*Fe(dppe)X Complexes (X = F, Cl, Br, I, H, CH3)","Journal of the American Chemical Society","2001","123","","9984","10000","10.1021/ja0106927","","","0.71069","MoKα","","0.1024","0.053","","","0.1453","0.177","","","","","","1.006","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115731","7.771","0.0004","23.8998","0.0013","32.6762","0.0017","90","","90","","90","","6068.8","0.6","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H44 Gd O12 P4 -","- C38.4 H32 Gd0.8 O21.152 P3.2 -","- C192 H160 Gd4 O105.76 P16 -","5","1.25","","Owen R. Evans; Helen L. Ngo; Wenbin Lin","Chiral Porous Solids Based on Lamellar Lanthanide Phosphonates","Journal of the American Chemical Society","2001","123","","10395","10396","10.1021/ja0163772","","","0.71073","MoKα","","0.1887","0.0974","","","0.1884","0.2239","","","","","","1.094","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115732","9.134","0.003","14.592","0.005","15.832","0.006","90","","90","","90","","2110.1","1.3","298","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-cyanopropyl-4,5,7,8,9,10,11,12-octamethyl-1,2- dicarba-closo-dodecaborane(12)","","- C14 H33 B10 N -","- C14 H33 B10 N -","- C56 H132 B40 N4 -","4","1","","A. Maderna; A. Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","The Syntheses of Amphiphilic Camouflaged Carboranes as Modules for Supramolecular Construction","Journal of the American Chemical Society","2001","123","","10423","10424","10.1021/ja016768g","","","1.5418","CuKα","","0.0802","0.0694","","","0.1919","0.2061","","","","","","1.03","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115733","9.116","0.004","14.555","0.007","15.82","0.007","90","","90","","90","","2099.1","1.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","carboranyl chloride","4,5,7,8,9,10,11,12-octamethyl-1-(3-chloropropyl), 2-dicarba-closo-dodeca-borane(12)","","- C13 H33 B10 Cl -","- C13 H33 B10 Cl -","- C52 H132 B40 Cl4 -","4","1","","A. Maderna; A. Herzog; Carolyn B. Knobler; M. Frederick Hawthorne","The Syntheses of Amphiphilic Camouflaged Carboranes as Modules for Supramolecular Construction","Journal of the American Chemical Society","2001","123","","10423","10424","10.1021/ja016768g","","","0.71073","MoKα","","0.1759","0.0746","","","0.1767","0.2113","","","","","","0.917","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115748","9.334","0.0002","16.319","0.0008","18.148","0.0008","90","","90","","90","","2764.33","0.19","150.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 F4 K N2 O6 Si -","- C24 H33 F4 K N2 O6 Si -","- C96 H132 F16 K4 N8 O24 Si4 -","4","1","","Naokazu Kano; Fuminori Komatsu; Takayuki Kawashima","Reversible Photocontrol of the Coordination Number of Silicon in a Tetrafluorosilicate Bearing a 2-(Phenylazo)phenyl Group","Journal of the American Chemical Society","2001","123","","10778","10779","10.1021/ja0165739","","","0.7107","MoKα","","","0.045","","","","0.145","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115771","11.7375","0.0006","22.5981","0.0013","31.3184","0.0015","90","","90","","90","","8307.1","0.8","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H82 Cl13 Co N6 O14 -","- C72 H82 Cl13 Co N6 O14 -","- C288 H328 Cl52 Co4 N24 O56 -","4","1","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.18","0.0644","","","0.142","0.1774","","","","","","0.841","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115772","17.0919","0.0007","19.9345","0.0008","23.5472","0.0008","90","","90","","90","","8023","0.5","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H82 Cl13 Co N6 O16 -","- C66 H82 Cl13 Co N6 O16 -","- C264 H328 Cl52 Co4 N24 O64 -","4","1","","Magalie Claeys-Bruno; Dawn Toronto; Jacques Pécaut; Michel Bardet; Jean-Claude Marchon","Three-Point versus Two-Point Attachment of (R)- and (S)-Amino Acid Methyl Esters to a Cobalt(III) Chiroporphyrin: Implications for the Analysis of Amino Acid Enantiomers by 1H NMR Spectroscopy","Journal of the American Chemical Society","2001","123","","11067","11068","10.1021/ja016494x","","","0.71073","MoKα","","0.1192","0.0597","","","0.1473","0.1659","","","","","","0.928","","","","has coordinates","178928","2020-10-21","18:00:00",""
"4115773","12.1118","0.0002","33.1982","0.0005","11.0644","0.0001","90","","90","","90","","4448.88","0.11","295.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H55 Cl2 N7 Ni2 O11 -","- C38 H55 Cl2 N7 Ni2 O11 -","- C152 H220 Cl8 N28 Ni8 O44 -","4","1","","Shinobu Itoh; Hideki Bandoh; Motonobu Nakagawa; Shigenori Nagatomo; Teizo Kitagawa; Kenneth D. Karlin; Shunichi Fukuzumi","Formation, Characterization, and Reactivity of Bis(μ-oxo)dinickel(III) Complexes Supported by A Series of Bis[2-(2-pyridyl)ethyl]amine Ligands","Journal of the American Chemical Society","2001","123","","11168","11178","10.1021/ja0104094","","","0.7107","MoKα","","","0.0451","","","","0.063","","","","","","0.756","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115784","20.33","0.0009","23.1692","0.0011","32.0081","0.0015","90","","90","","90","","15076.8","1.2","158","2","158","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C78 H117.5 N8.5 O38 Zn4 -","- C78 H36 N8.5 O38 Zn4 -","- C312 H144 N34 O152 Zn16 -","4","1","","Hee K. Chae; Mohamed Eddaoudi; Jaheon Kim; Sheila I. Hauck; John F. Hartwig; Michael O'Keeffe; Omar M. Yaghi","Tertiary Building Units: Synthesis, Structure, and Porosity of a Metal-Organic Dendrimer Framework (MODF-1)","Journal of the American Chemical Society","2001","123","","11482","11483","10.1021/ja011692+","","","0.71073","MoKα","","0.1419","0.0885","","","0.2331","0.2723","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115810","7.076","0.003","12.211","0.004","16.676","0.006","90","","90","","90","","1440.9","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Héctor Carrasco; Concepción Foces-Foces; Cirilo Pérez; Matías L. Rodríguez; Julio D. Martín","Tubular Hydrogen-Bonded Networks Sustained by Water Molecules","Journal of the American Chemical Society","2001","123","","11970","11981","10.1021/ja011028t","","","0.71069","MoKα","","0.1721","0.0553","","","0.1226","0.1579","","","","","","0.988","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115880","13.896","0.002","15.476","0.003","33.44","0.007","90","","90","","90","","7191","2","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Fe2DPDO 3","","","- C81 H84 Cl3 Fe2 N8 O4 -","- C81 H84 Cl3 Fe2 N8 O4 -","- C324 H336 Cl12 Fe8 N32 O16 -","4","1","","Yongqi Deng; Christopher J. Chang; Daniel G. Nocera","Direct Observation of the ""Pac-Man"" Effect from Dibenzofuran-Bridged Cofacial Bisporphyrins","Journal of the American Chemical Society","2000","122","","410","411","10.1021/ja992955r","","","0.71073","MoKα","","0.0455","0.042","","","0.1091","0.118","","","","","","1.153","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115883","10.1818","0.0014","31.962","0.003","9.4921","0.0008","90","","90","","90","","3089","0.6","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O4 Si -","- C32 H41 N O4 Si -","- C128 H164 N4 O16 Si4 -","4","1","","Katsuhiko Tomooka; Atsuo Nakazaki; Takeshi Nakai","A Novel Aryl Migration from Silicon to Carbon: An Efficient Approach to Asymmetric Synthesis of α-Aryl β-Hydroxy Cyclic Amines and Silanols","Journal of the American Chemical Society","2000","122","","408","409","10.1021/ja993295t","","","0.7107","MoKα","","0.0596","0.0527","","","0.1244","0.1285","","","","","","1.163","","","","has coordinates","178929","2020-10-21","18:00:00",""
"4115961","6.4383","0.001","10.498","0.002","19.571","0.003","90","","90","","90","","1322.8","0.4","150","","150","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl2 O3 P -","- C11 H13 Cl2 O3 P -","- C44 H52 Cl8 O12 P4 -","4","1","","Ron Hulst; Johanna M. Visser; Robert W. J. Zijlstra; Huub Kooijman; Wilberth Smeets; Anthony L. Spek; Ben L. Feringa","Formation of Diphosphates. A NMR Study on the Mechanism and Stereochemistry of Diphosphate Formation from Chiral Dioxaphosphorinanes","Journal of the American Chemical Society","2000","122","","3135","3150","10.1021/ja992770k","","","0.71073","MoKα","","0.0241","0.0228","","","0.0582","0.059","","","","","","1.059","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4115962","6.4799","0.001","17.165","0.002","17.189","0.002","90","","90","","90","","1911.9","0.4","295","","295","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 O4 P -","- C20 H25 O4 P -","- C80 H100 O16 P4 -","4","1","","Ron Hulst; Johanna M. Visser; Robert W. J. Zijlstra; Huub Kooijman; Wilberth Smeets; Anthony L. Spek; Ben L. Feringa","Formation of Diphosphates. A NMR Study on the Mechanism and Stereochemistry of Diphosphate Formation from Chiral Dioxaphosphorinanes","Journal of the American Chemical Society","2000","122","","3135","3150","10.1021/ja992770k","","","0.71073","MoKα","","0.1531","0.0511","","","0.0867","0.1001","","","","","","0.923","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4116023","10.0439","0.0006","10.7647","0.0007","35.262","0.002","90","","90","","90","","3812.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O -","- C24 H25 N O -","- C192 H200 N8 O8 -","8","2","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.1214","0.0592","","","0.1123","0.1366","","","","","","1.03","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116024","10.0869","0.0006","10.8633","0.0006","35.817","0.002","90","","90","","90","","3924.7","0.4","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 F N O -","- C24 H24 F N O -","- C192 H192 F8 N8 O8 -","8","2","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0731","0.045","","","0.0937","0.1062","","","","","","1","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116027","8.4546","0.0007","22.244","0.002","32.612","0.002","90","","90","","90","","6133.1","0.8","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30.67 N O3 -","- C23 H30.6667 N O3 -","- C276 H368 N12 O36 -","12","3","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.1093","0.0735","","","0.1948","0.2281","","","","","","1","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116028","9.9023","0.0009","10.6217","0.0009","18.945","0.001","90","","90","","90","","1992.6","0.3","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O -","- C26 H23 N O -","- C104 H92 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0661","0.0413","","","0.0823","0.094","","","","","","1.055","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116029","10.3574","0.0006","10.6801","0.0006","19.388","0.001","90","","90","","90","","2144.7","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N O -","- C28 H26 N O -","- C112 H104 N4 O4 -","4","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0712","0.0483","","","0.1169","0.1296","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116033","8.3269","0.0004","8.4131","0.0004","29.128","0.002","90","","90","","90","","2040.6","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0658","0.0465","","","0.0931","0.102","","","","","","1.015","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116036","10.0585","0.0005","10.4847","0.0005","34.977","0.002","90","","90","","90","","3688.7","0.3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O S -","- C22 H23 N O S -","- C176 H184 N8 O8 S8 -","8","2","","David R. Spring; Shyam Krishnan; Stuart L. Schreiber","Towards Diversity-Oriented, Stereoselective Syntheses of Biaryl- or Bis(aryl)metal-Containing Medium Rings","Journal of the American Chemical Society","2000","122","","5656","5657","10.1021/ja0010507","","","0.71073","MoKα","","0.0895","0.0544","","","0.0919","0.103","","","","","","1.059","","","","has coordinates","178931","2020-10-21","18:00:00",""
"4116054","10.797","0.002","22.824","0.004","8.768","0.003","90","","90","","90","","2160.7","0.9","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3R,4S)-5,5-diphenyl-2-methoxycarbonyl-3-(4-methoxyphenyl)- 4-nitropyrrolidine","","- C25 H24 N2 O5 -","- C25 H24 N2 O5 -","- C100 H96 N8 O20 -","4","1","","Silvia Vivanco; Begoña Lecea; Ana Arrieta; Pilar Prieto; Iñaki Morao; Anthony Linden; Fernando P. Cossío","Origins of the Loss of Concertedness in Pericyclic Reactions: Theoretical Prediction and Direct Observation of Stepwise Mechanisms in [3 + 2] Thermal Cycloadditions","Journal of the American Chemical Society","2000","122","","6078","6092","10.1021/ja9945360","","","0.71069","MoKα","","","0.0399","","","","0.0359","","","","","","1.767","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4116067","13.477","0.002","21.479","0.001","9.863","0.001","90","","90","","90","","2855.1","0.5","296.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 B Br O2 P -","- C27 H43 B Br O2 P -","- C108 H172 B4 Br4 O8 P4 -","4","1","","Tsuneo Imamoto; Hideaki Morishita","An Enantiomerically Pure Tetracoordinate Boron Compound: Stereochemistry of Substitution Reactions at the Chirogenic Boron Atom","Journal of the American Chemical Society","2000","122","","6329","6330","10.1021/ja0011764","","","1.5418","CuKα","","","0.0948","","","","0.1321","","","","","","2.771","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116101","7.827","0.001","12.774","0.001","17.353","0.001","90","","90","","90","","1735","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2(S)-amino-3-(1H-imidazol-4(5)-yl)propyl cyclohexylmethyl ether dihydrochloride","","- C13 H25 Cl2 N3 O -","- C13 H25 Cl2 N3 O -","- C52 H100 Cl8 N12 O4 -","4","1","","Jari T. Kovalainen; Johannes A. M. Christiaans; Risto Ropponen; Antti Poso; Mikael Peräkylä; Jouko Vepsäläinen; Reino Laatikainen; Jukka Gynther","A Proton Relay Process as the Mechanism of Activation of the Histamine H3-Receptor Determined by 1H NMR and ab Initio Quantum Mechanical Calculations","Journal of the American Chemical Society","2000","122","","6989","6996","10.1021/ja993322f","","","0.71073","MoKα","","0.0932","0.0492","","","0.081","0.0923","","","","","","1.025","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116102","7.554","0.001","12.998","0.001","17.782","0.001","90","","90","","90","","1746","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2(S)-amino-3-(1H-imidazol-4(5)-yl)propyl 4-bromobenzyl ether dihydrochloride","","- C13 H18 Br Cl2 N3 O -","- C13 H18 Br Cl2 N3 O -","- C52 H72 Br4 Cl8 N12 O4 -","4","1","","Jari T. Kovalainen; Johannes A. M. Christiaans; Risto Ropponen; Antti Poso; Mikael Peräkylä; Jouko Vepsäläinen; Reino Laatikainen; Jukka Gynther","A Proton Relay Process as the Mechanism of Activation of the Histamine H3-Receptor Determined by 1H NMR and ab Initio Quantum Mechanical Calculations","Journal of the American Chemical Society","2000","122","","6989","6996","10.1021/ja993322f","","","0.71073","MoKα","","0.0875","0.0496","","","0.0806","0.0914","","","","","","1.058","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116119","10.6911","0.0005","24.4434","0.0011","29.7425","0.0013","90","","90","","90","","7772.5","0.6","91","2","91","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Rh2(TBSP)4(DMF)2].0.5toluene.0.5n-pentane","tetrakis[1-[(4-tert-butylphenyl)sulfonyl] -(2S)-pyrrolidinecarboxylate]dirhodium(II)","","- C72 H104 N6 O18 Rh2 S4 -","- C72 H104 N6 O18 Rh2 S4 -","- C288 H416 N24 O72 Rh8 S16 -","4","1","","Dolores C. Wynne; Marilyn M. Olmstead; Philip G. Jessop","Supercritical and Liquid Solvent Effects on the Enantioselectivity of Asymmetric Cyclopropanation with Tetrakis[1-[(4-tert-butylphenyl)- sulfonyl]-(2S)-pyrrolidinecarboxylate]dirhodium(II)","Journal of the American Chemical Society","2000","122","","7638","7647","10.1021/ja000894n","","","0.71073","MoKα","","0.131","0.059","","","0.1096","0.1306","","","","","","0.902","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116131","9.552","0.002","14.509","0.003","17.781","0.002","90","0.014","90","0.014","90","0.02","2464.3","0.8","293","2","293","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","3',4'-Bis(n-hexyl)-2,2':5',2''-terthiophene 1',1'-dioxide","","- C24 H32 O2 S3 -","- C24 H32 O2 S3 -","- C96 H128 O8 S12 -","4","1","","Luciano Antolini; Emilio Tedesco; Giovanna Barbarella; Laura Favaretto; Giovanna Sotgiu; Massimo Zambianchi; Daniele Casarini; Giuseppe Gigli; Roberto Cingolani","Molecular Packing and Photoluminescence Efficiency in Odd-Membered Oligothiophene S,S-Dioxides","Journal of the American Chemical Society","2000","122","","9006","9013","10.1021/ja000834h","","","0.71069","MoKα","","0.1354","0.0664","","0.1856","0.1591","","","","0.991","1.184","1.184","","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116138","14.91","0.003","24.128","0.002","10.014","0.002","90","","90","","90","","3602.5","1.1","294.2","","294.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 B Mo N6 O3 P -","- C30 H48 B Mo N6 O3 P -","- C120 H192 B4 Mo4 N24 O12 P4 -","4","1","","Paul D. Smith; Andrew J. Millar; Charles G. Young; Amit Ghosh; Partha Basu","Detection, Isolation, and Characterization of Intermediates in Oxygen Atom Transfer Reactions in Molybdoenzyme Model Systems","Journal of the American Chemical Society","2000","122","","9298","9299","10.1021/ja0008362","","","0.7107","MoKα","","","0.0388","","","","0.0469","","","","","","1.657","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116162","10.3851","0.0006","14.4993","0.0009","27.0817","0.0017","90","","90","","90","","4077.9","0.4","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 Cu F12 N2 O6 Sb -","- C33 H34 Cu F12 N2 O6 Sb2 -","- C132 H136 Cu4 F48 N8 O24 Sb8 -","4","1","","David A. Evans; Tomislav Rovis; Marisa C. Kozlowski; C. Wade Downey; Jason S. Tedrow","Enantioselective Lewis Acid Catalyzed Michael Reactions of Alkylidene Malonates. Catalysis by C2-Symmetric Bis(oxazoline) Copper(II) Complexes in the Synthesis of Chiral, Differentiated Glutarate Esters","Journal of the American Chemical Society","2000","122","","9134","9142","10.1021/ja002246+","","","0.71073","MoKα","","0.1274","0.071","","","0.1403","0.1633","","","","","","1.093","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116177","9.3904","0.0016","11.8641","0.0019","25.019","0.004","90","","90","","90","","2787.3","0.8","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-(2-methyl-5-phenyl-3-thienyl)-2-[2-(3-methyl-1-penten-1-yl) -5-phenyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene","","- C32 H26 F6 S2 -","- C32 H26 F6 S2 -","- C128 H104 F24 S8 -","4","1","","Tetsuhiro Kodani; Kenji Matsuda; Taro Yamada; Seiya Kobatake; Masahiro Irie","Reversible Diastereoselective Photocyclization of a Diarylethene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","9631","9637","10.1021/ja001350o","","","0.71073","MoKα","","0.055","0.0464","","","0.1151","0.1205","","","","","","1.048","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116178","9.368","0.001","11.8571","0.0012","24.971","0.003","90","","90","","90","","2773.7","0.5","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-1-(2-methyl-5-phenyl-3-thienyl)-2-[2-(3-methyl-1-penten-1-yl) -5-phenyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene","","- C32 H26 F6 S2 -","- C32 H26 F6 S2 -","- C128 H104 F24 S8 -","4","1","","Tetsuhiro Kodani; Kenji Matsuda; Taro Yamada; Seiya Kobatake; Masahiro Irie","Reversible Diastereoselective Photocyclization of a Diarylethene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","9631","9637","10.1021/ja001350o","","","0.71073","MoKα","","0.0574","0.0462","","","0.109","0.1149","","","","","","1.041","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116179","9.399","0.002","11.866","0.003","24.972","0.006","90","","90","","90","","2785.1","1.1","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-(2-methyl-5-phenyl-3-thienyl)-2-[2-(3-methyl-1-penten-1-yl) -5-phenyl-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopentene","","- C32 H26 F6 S2 -","- C32 H26 F6 S2 -","- C128 H104 F24 S8 -","4","1","","Tetsuhiro Kodani; Kenji Matsuda; Taro Yamada; Seiya Kobatake; Masahiro Irie","Reversible Diastereoselective Photocyclization of a Diarylethene in a Single-Crystalline Phase","Journal of the American Chemical Society","2000","122","","9631","9637","10.1021/ja001350o","","","0.71073","MoKα","","0.1184","0.066","","","0.1529","0.1781","","","","","","0.891","","","","has coordinates,has disorder","178932","2020-10-21","18:00:00",""
"4116180","13.5363","0.0002","15.322","0.0002","17.8722","0.0003","90","","90","","90","","3706.75","0.1","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H46 F6 Fe P3 Rh -","- C37 H46 F6 Fe P3 Rh -","- C148 H184 F24 Fe4 P12 Rh4 -","4","1","","Ken Tanaka; Shuang Qiao; Mamoru Tobisu; Michael M.-C. Lo; Gregory C. Fu","Enantioselective Isomerization of Allylic Alcohols Catalyzed by a Rhodium/Phosphaferrocene Complex","Journal of the American Chemical Society","2000","122","","9870","9871","10.1021/ja002471r","","","0.71073","MoKα","","0.0596","0.0463","","0.1357","0.0911","","","","1.127","1.094","1.094","","","","","has coordinates","178932","2020-10-21","18:00:00",""
"4116181","10.42","0.002","17.208","0.004","7.519","0.002","90","","90","","90","","1348.2","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Masami Sakamoto; Norio Sekine; Hiroko Miyoshi; Takashi Mino; Tsutomu Fujita","Absolute Asymmetric Phthalide Synthesis via the Solid-State Photoreaction of N,N-Disubstituted 2-Benzoylbenzamides Involving a Radical Pair Intermediate","Journal of the American Chemical Society","2000","122","","10210","10211","10.1021/ja001064c","","","1.5418","CuKα","","","0.032","","","0.035","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116182","11.453","0.003","18.572","0.005","8.107","0.002","90","","90","","90","","1724.4","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Masami Sakamoto; Norio Sekine; Hiroko Miyoshi; Takashi Mino; Tsutomu Fujita","Absolute Asymmetric Phthalide Synthesis via the Solid-State Photoreaction of N,N-Disubstituted 2-Benzoylbenzamides Involving a Radical Pair Intermediate","Journal of the American Chemical Society","2000","122","","10210","10211","10.1021/ja001064c","","","1.5418","CuKα","","","0.044","","","0.044","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116261","12.965","0.001","17.957","0.002","5.619","0.001","90","","90","","90","","1308.2","0.3","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Katsumi Ukai; Koichiro Oshima; Seijiro Matsubara","Preparation of Cyclopropanediol: Novel [2 + 1] Cycloaddition Reaction of Bis(iodozincio)methane with 1,2-Diketones","Journal of the American Chemical Society","2000","122","","12047","12048","10.1021/ja003360v","","","0.7107","MoKα","","","0.0544","","","","0.0827","","","","","","1.136","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116270","14.451","0.004","13.884","0.001","5.8","0.001","90","","90","","90","","1163.7","0.4","120","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","benzo[c]phenanthrene","","- C18 H12 -","- C18 H12 -","- C72 H48 -","4","1","","Mahesh K. Lakshman; Panna L. Kole; Surendrakumar Chaturvedi; Joseph H. Saugier; Herman J. C. Yeh; Jenny P. Glusker; H. L. Carrell; Amy K. Katz; Carol E. Afshar; Won-Mohaiza Dashwood; Gary Kenniston; William M. Baird","Methyl Group-Induced Helicity in 1,4-Dimethylbenzo[c]phenanthrene and Its Metabolites: Synthesis, Physical, and Biological Properties","Journal of the American Chemical Society","2000","122","","12629","12636","10.1021/ja002072w","","","","","","0.067","0.048","","0.073","0.072","","0.072","","2.317","2.333","2.333","","","","","has coordinates","178933","2020-10-21","18:00:00",""
"4116377","7.564","0.002","30.261","0.009","6.268","0.003","90","0","90","0","90","0","1434.7","0.9","298","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Naoki Yoshikawa; Yoichi M. A. Yamada; Jagattaran Das; Hiroaki Sasai; Masakatsu Shibasaki","Direct Catalytic Asymmetric Aldol Reaction","Journal of the American Chemical Society","1999","121","","4168","4178","10.1021/ja990031y","","","0.7107","MoKα","","","0.066","","","0.067","","","","","5.227","5.227","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116387","10.7505","0.0006","11.1008","0.0007","12.4859","0.0008","90","","90","","90","","1490.06","0.16","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 Ru -","- C15 H22 N2 Ru -","- C60 H88 N8 Ru4 -","4","1","","Jayani R. Perera; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter","Ruthenium Complexes Bearing η5-Pyrazolato Ligands","Journal of the American Chemical Society","1999","121","","4536","4537","10.1021/ja990109a","","","0.71073","MoKα","","0.0436","0.03","","0.0545","0.0509","","","","0.998","1.018","1.018","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116396","7.4857","0.0003","9.9727","0.0003","17.7714","0.0006","90","","90","","90","","1326.68","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cr O3 -","- C14 H14 Cr O3 -","- C56 H56 Cr4 O12 -","4","1","","Malisa V. Troutman; Daniel H. Appella; Stephen L. Buchwald","Asymmetric Hydrogenation of Unfunctionalized Tetrasubstituted Olefins with a Cationic Zirconocene Catalyst","Journal of the American Chemical Society","1999","121","","4916","4917","10.1021/ja990535w","","","0.71073","MoKα","","0.069","0.0548","","0.1395","0.1277","","","","1.133","1.121","1.121","","","","","has coordinates","178934","2020-10-21","18:00:00",""
"4116426","6.919","0.001","15.315","0.003","23.727","0.004","90","","90","","90","","2514.2","0.7","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tricarbonylchloro(way)technetium(I)","","- C23 H26 Cl N4 O4 Tc -","- C23 H26 Cl N4 O4 Tc -","- C92 H104 Cl4 N16 O16 Tc4 -","4","1","","Roger Alberto; Roger Schibli; August P. Schubiger; Ulrich Abram; H.-J. Pietzsch; B. Johannsen","First Application of fac-[99mTc(OH2)3(CO)3]+ in Bioorganometallic Chemistry: Design, Structure, and in Vitro Affinity of a 5-HT1A Receptor Ligand Labeled with 99mTc","Journal of the American Chemical Society","1999","121","","6076","6077","10.1021/ja990765a","","","1.54184","CuKα","","0.0448","0.0333","","","0.0759","0.0799","","","","","","1.031","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116431","9.851","0.002","11.141","0.004","20.418","0.006","90","","90","","90","","2240.9","1.1","220","2","220","2","","","","","","","see experimental","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H31 B F4 O7 Pt -","- C15 H31 B F4 O7 Pt -","- C60 H124 B4 F16 O28 Pt4 -","4","1","","Henrik Junicke; Clemens Bruhn; Ralph Kluge; Anthony S. Serianni; Dirk Steinborn","Novel Platinum(IV)-Carbohydrate Complexes: Metal Ion Coordination Behavior of Monosaccharides in Organic Solvents","Journal of the American Chemical Society","1999","121","","6232","6241","10.1021/ja9902726","","","0.71073","MoKα","","0.0873","0.0581","","0.1436","0.128","","","","0.955","1.021","1.021","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116469","14.841","0.008","21.055","0.016","29.308","0.016","90","","90","","90","","9158","10","154","2","154","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C~60~^.^2Co(OEP)^.^CHCl~3~","","","- C133 H89 Cl3 Co2 N8 -","- C133 H89 Cl3 Co2 N8 -","- C532 H356 Cl12 Co8 N32 -","4","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","0.71073","MoKα","","0.1299","0.0823","","0.1969","0.1711","","","","1.109","1.212","1.212","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116470","14.833","0.004","20.936","0.005","29.515","0.009","90","","90","","90","","9166","4","156","2","156","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C~60~^.^2Zn(OEP)^.^CHCl~3~","","","- C133 H89 Cl3 N8 Zn2 -","- C133 H89 Cl3 N8 Zn2 -","- C532 H356 Cl12 N32 Zn8 -","4","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","0.71073","MoKα","","0.1062","0.0689","","","0.128","0.1483","","","","","","1.15","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116471","14.846","0.003","21.06","0.005","29.249","0.008","90","","90","","90","","9145","4","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Co(OEP)]~2~C~60~O^.^CHCl~3~","","","- C133 H89 Cl3 Co2 N8 O -","- C133 H89 Cl2.994 Co2 N8 O0.727 -","- C532 H356 Cl11.976 Co8 N32 O2.908 -","4","1","","Marilyn M. Olmstead; David A. Costa; Kalyani Maitra; Bruce C. Noll; Shane L. Phillips; Pamela M. Van Calcar; Alan L. Balch","Interaction of Curved and Flat Molecular Surfaces. The Structures of Crystalline Compounds Composed of Fullerene (C60, C60O, C70, and C120O) and Metal Octaethylporphyrin Units","Journal of the American Chemical Society","1999","121","","7090","7097","10.1021/ja990618c","","","1.54178","CuKα","","0.1133","0.0689","","0.1844","0.1548","","","","1.063","1.122","1.122","","","","","has coordinates,has disorder","178935","2020-10-21","18:00:00",""
"4116489","10.526","0.003","10.774","0.003","10.818","0.005","90","","90","","90","","1226.8","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5S,S(S))-4-(tert-butylsulfinyl)bicyclo(3.3.0)oct-1-en-3-one","","- C12 H18 O2 S -","- C12 H18 O2 S -","- C48 H72 O8 S4 -","4","1","","Javier Adrio; Juan C. Carretero","The tert-Butylsulfinyl Group as a Highly Efficient Chiral Auxiliary in Asymmetric Pauson-Khand Reactions","Journal of the American Chemical Society","1999","121","","7411","7412","10.1021/ja990546p","","","1.54178","CuKα","","0.0364","0.0353","","0.1055","0.1026","","","","0.586","0.582","0.582","","","","","has coordinates","178935","2020-10-21","18:00:00",""
"4116497","15.8","0.002","16.424","0.004","8.073","0.002","90","","90","","90","","2094.9","0.8","23","","23","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl Ru S2 Ti -","- C80 H108 Cl4 Ru4 S8 Ti4 -","- C80 H108 Cl4 Ru4 S8 Ti4 -","","","","Shin-ichiro Kabashima; Shigeki Kuwata; Masanobu Hidai","Electron-Deficient Early-Late Heterobimetallic Sulfido Clusters. Unusual Reactivities of Ti2Ru2S4 Cubane-Type Clusters with Four Cyclopentadienyl Coligands","Journal of the American Chemical Society","1999","121","","7837","7845","10.1021/ja990034a","","","0.7107","MoKalpha","","","0.028","","","0.022","","","","","2.46","2.46","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116504","11.7906","0.0014","12.4046","0.001","23.7952","0.0018","90","0.006","90","0.008","90","0.008","3480.2","0.6","293","2","293","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","none","Zinc(II)-2-devinyl-2-carboximinopyropheophorbide a methyl ester chloroform solvate","","- C34 H34 Cl3 N5 O4 Zn -","- C34 H34 Cl3 N5 O4 Zn -","- C136 H136 Cl12 N20 O16 Zn4 -","4","1","","Spencer Knapp; Buwen Huang; Thomas J. Emge; Suzie Sheng; Karsten Krogh-Jespersen; Joseph A. Potenza; Harvey J. Schugar","A Pyropheophorbide Dimer with Single Pyrrole π Overlap and a Low-Energy Q Absorption","Journal of the American Chemical Society","1999","121","","7977","7978","10.1021/ja991632s","","","1.54184","CuKα","","0.0766","0.0646","","","0.1569","0.163","","","","","","1.002","","","","has coordinates,has disorder","178936","2020-10-21","18:00:00",""
"4116571","10.536","0.002","20.451","0.004","27.557","0.006","90","","90","","90","","5938","2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","g-lactam 4","3S-Hydroxy-2R-(1S-hydroxy-2-methyl-propyl)-4R-n-propyl-5- oxo-pyrrolidine-2-carboxylic acid methyl ester","","- C13 H23 N O5 -","- C13 H23 N O5 -","- C208 H368 N16 O80 -","16","4","","François Soucy; Louis Grenier; Mark L. Behnke; Antonia T. Destree; Teresa A. McCormack; Julian Adams; Louis Plamondon","A Novel and Efficient Synthesis of a Highly Active Analogue of clasto-Lactacystin β-Lactone","Journal of the American Chemical Society","1999","121","","9967","9976","10.1021/ja991175f","","","0.71073","MoKα","","0.1156","0.0736","","","0.1714","0.1957","","","","","","1.026","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116585","4.9028","0.0004","14.349","0.001","16.165","0.002","90","","90","","90","","1137.21","0.19","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N O3 -","- C11 H16 N O3 -","- C44 H64 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1001","0.0659","","","0.1641","0.1847","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116586","8.2686","0.0008","9.2367","0.0009","17.212","0.002","90","","90","","90","","1314.6","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O5 -","- C12 H17 N O5 -","- C48 H68 N4 O20 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1064","0.0408","","","0.0507","0.0581","","","","","","0.989","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116587","7.9966","0.0003","9.443","0.0004","19.1856","0.0008","90","","90","","90","","1448.74","0.1","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0481","0.0404","","","0.1063","0.1106","","","","","","1.063","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116591","6.2147","0.0002","15.7066","0.0005","16.6334","0.0002","90","","90","","90","","1623.62","0.08","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0809","0.0589","","","0.1505","0.1643","","","","","","1.043","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116592","4.938","0.0004","15.519","0.001","16.645","0.001","90","","90","","90","","1275.55","0.15","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C48 H76 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1249","0.0657","","","0.136","0.1624","","","","","","1.009","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116597","5.1736","0.0002","12.1557","0.0006","22.513","0.001","90","","90","","90","","1415.81","0.11","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N O3 -","- C16 H18 N O3 -","- C64 H72 N4 O12 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.0936","0.0438","","","0.0782","0.0841","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116598","7.958","0.0004","9.2646","0.0005","25.971","0.001","90","","90","","90","","1914.78","0.16","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","Daesung Lee; Jason K. Sello; Stuart L. Schreiber","A Strategy for Macrocyclic Ring Closure and Functionalization Aimed toward Split-Pool Syntheses","Journal of the American Chemical Society","1999","121","","10648","10649","10.1021/ja992658m","","","0.71073","MoKα","","0.1219","0.0399","","","0.0536","0.06","","","","","","1.039","","","","has coordinates","178936","2020-10-21","18:00:00",""
"4116638","12.442","0.0006","18.635","0.0007","28.37","0.001","90","0","90","0","90","0","6577.8","0.5","120","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H108 Ge3 Si7 -","- C45 H108 Ge3 Si7 -","- C180 H432 Ge12 Si28 -","4","1","","Akira Sekiguchi; Norihisa Fukaya; Masaaki Ichinohe; Nozomi Takagi; Shigeru Nagase","Synthesis of Unsymmetrically Substituted Cyclotrigermenes and the First Example of Cis Configuration around the GeGe Double Bond","Journal of the American Chemical Society","1999","121","","11587","11588","10.1021/ja9923080","","","0.71073","xray","","","0.064","","","0.142","","","","","4.933","4.933","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116688","11.206","0.003","12.282","0.002","10.965","0.003","90","","90","","90","","1509.1","0.6","293.2","","293.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 S -","- C17 H20 O3 S -","- C68 H80 O12 S4 -","4","1","","Jian Zhang; Shinichi Saito; Toru Koizumi","Acidic and Basic Hydrolysis of an Optically Pure Spiro-λ4-sulfurane: Completely Opposite Stereochemical Outcome","Journal of the American Chemical Society","1998","120","","1631","1632","10.1021/ja973039l","","","0.7107","MoKα","","","0.0424","","","0.044","","","","","0.469","0.469","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116689","13.124","0.003","14.72","0.003","8.659","0.002","90","","90","","90","","1672.8","0.6","293.2","","293.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 S -","- C17 H20 O4 S -","- C68 H80 O16 S4 -","4","1","","Jian Zhang; Shinichi Saito; Toru Koizumi","Acidic and Basic Hydrolysis of an Optically Pure Spiro-λ4-sulfurane: Completely Opposite Stereochemical Outcome","Journal of the American Chemical Society","1998","120","","1631","1632","10.1021/ja973039l","","","0.7107","MoKα","","","0.0419","","","0.041","","","","","0.83","0.83","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116691","20.5","0.008","9.826","0.005","11.517","0.003","90","","90","","90","","2319.9","1.6","110.2","","110.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 B F4 P2 Rh -","- C19 H36 B F4 P2 Rh -","- C76 H144 B4 F16 P8 Rh4 -","4","1","","Tsuneo Imamoto; Junko Watanabe; Yoshiyuki Wada; Hideki Masuda; Hironari Yamada; Hideyuki Tsuruta; Satoru Matsukawa; Kentaro Yamaguchi","P-Chiral Bis(trialkylphosphine) Ligands and Their Use in Highly Enantioselective Hydrogenation Reactions","Journal of the American Chemical Society","1998","120","","1635","1636","10.1021/ja973423i","","","0.7107","MoKα","","","0.032","","","0.0399","","","","","1.488","1.488","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116708","6.152","0.001","12.148","0.005","17.817","0.006","90","","90","","90","","1331.5","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(N) methano-carba-AZT","","","- C12 H15 N5 O3 -","- C12 H15 N5 O3 -","- C48 H60 N20 O12 -","4","1","","Victor E. Marquez; Abdallah Ezzitouni; Pamela Russ; Maqbool A. Siddiqui; Harry Ford; Ron J. Feldman; Hiroaki Mitsuya; Clifford George; Joseph J. Barchi","HIV-1 Reverse Transcriptase Can Discriminate between Two Conformationally Locked Carbocyclic AZT Triphosphate Analogues","Journal of the American Chemical Society","1998","120","","2780","2789","10.1021/ja973535+","","","1.54178","CuKα","","0.0478","0.0429","","0.1197","0.1149","","","","1.026","1.046","1.046","","","","","has coordinates","178938","2020-10-21","18:00:00",""
"4116747","12.653","0.005","20.54","0.02","8.944","0.005","90","","90","","90","","2324","3","288.2","","288.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N3 -","- C13 H13 N3 -","- C104 H104 N24 -","8","2","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","0.7107","MoKα","","","0.0848","","","0.0908","","","","","1.777","1.777","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116749","5.666","0.001","10.126","0.003","21.17","0.02","90","","90","","90","","1214.6","1.2","173.2","","173.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N3 -","- C14 H15 N3 -","- C56 H60 N12 -","4","1","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","0.7107","MoKα","","","0.075","","","0.076","","","","","3.58","3.58","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116754","12.055","0.003","14.776","0.003","10.466","0.004","90","","90.07","0.03","90","","1864.3","0.9","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 I N3 O -","- C17 H22 I N3 O -","- C68 H88 I4 N12 O4 -","4","1","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","1.5418","CuKα","","","0.0651","","","0.0751","","","","","1.95","1.95","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116755","12.044","0.002","14.786","0.004","10.444","0.001","90","","90","","90","","1859.9","0.6","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 I N3 O -","- C17 H22 I N3 O -","- C68 H88 I4 N12 O4 -","4","1","","Aya Tanatani; Kentaro Yamaguchi; Isao Azumaya; Ryuuta Fukutomi; Koichi Shudo; Hiroyuki Kagechika","N-Methylated Diphenylguanidines: Conformations, Propeller-Type Molecular Chirality, and Construction of Water-Soluble Oligomers with Multilayered Aromatic Structures","Journal of the American Chemical Society","1998","120","","6433","6442","10.1021/ja9806534","","","1.5418","CuKα","","","0.0627","","","0.0749","","","","","2.79","2.79","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116835","9.542","0.001","9.918","0.002","26.268","0.006","90","","90","","90","","2485.9","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[Piv-S-Pro-(2R,3R)-2,3-methanophenylalanine-NHMe] dichloromethane solvate","","- C22 H31 Cl2 N3 O3 -","- C22 H31 Cl2 N3 O3 -","- C88 H124 Cl8 N12 O12 -","4","1","","A. I. Jiménez; C. Cativiela; A. Aubry; M. Marraud","β-Turn Preferences Induced by 2,3-Methanophenylalanine Chirality","Journal of the American Chemical Society","1998","120","","9452","9459","10.1021/ja9807439","","","1.5418","CuKα","","0.091","0.0545","","0.1926","0.1387","","","","0.962","1.001","1.001","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116837","10.127","0.001","13.033","0.003","19.13","0.003","90","","90","","90","","2524.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[Boc-S-Pro-(2R,3S)-2,3-methanophenylalanine-NHMe] dichloromethane solvate","","- C22 H31 Cl2 N3 O4 -","- C21.86 H30.72 Cl1.72 N3 O4 -","- C87.44 H122.88 Cl6.88 N12 O16 -","4","1","","A. I. Jiménez; C. Cativiela; A. Aubry; M. Marraud","β-Turn Preferences Induced by 2,3-Methanophenylalanine Chirality","Journal of the American Chemical Society","1998","120","","9452","9459","10.1021/ja9807439","","","1.54056","CuKα","","0.0846","0.0621","","0.2255","0.1698","","","","0.925","0.951","0.951","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116859","12.929","0.0007","15.1174","0.0001","32.5768","0.0004","90","","90","","90","","6367.2","0.4","180.2","","180.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H74 N6 P2 Si4 Ta2 -","- C60 H68 N6 P2 Si4 Ta2 -","- C240 H272 N24 P8 Si16 Ta8 -","4","1","","Michael D. Fryzuk; Samuel A. Johnson; Steven J. Rettig","New Mode of Coordination for the Dinitrogen Ligand: A Dinuclear Tantalum Complex with a Bridging N2 Unit That Is Both Side-On and End-On","Journal of the American Chemical Society","1998","120","","11024","11025","10.1021/ja982377z","","","0.7107","MoKα","","0.0649","0.037","","0.0654","","0.0654","","","1.776","","","1.776","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116929","9.838","0.002","17.799","0.006","21.939","0.004","90","","90","","90","","3841.7","1.7","426.4","","426.4","","","","","","","","synthesized","8","P 21 21 21","P 2ac 2ab","19","","","","- C H44 B3 F4 Fe O3 P2 Rh4 -","- C42 H44 B F4 Fe O3 P2 Rh -","- C168 H176 B4 F16 Fe4 O12 P8 Rh4 -","4","1","","Alan M. Allgeier; Caroline S. Slone; Chad A. Mirkin; Louise M. Liable-Sands; Glenn P. A. Yap; Arnold L. Rheingold","Electrochemically Controlling Ligand Binding Affinity for Transition Metals via RHLs: The Importance of Electrostatic Effects","Journal of the American Chemical Society","1997","119","","550","559","10.1021/ja963008a","","","0.7107","MoKalpha","","","0.0476","","","0.0444","","","","","1.27","1.27","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4116930","6.7855","0.0005","10.5456","0.0004","23.4215","0.0013","90","","90","","90","","1675.98","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl2 N O2 S -","- C17 H17 Cl2 N O2 S -","- C68 H68 Cl8 N4 O8 S4 -","4","1","","Daniël S. van Es; Arne Egberts; Stephen Nkrumah; Hans de Nijs; Willem H. de Wolf; Friedrich Bickelhaupt; Nora Veldman; Anthony L. Spek","8,11-Dichloro-N-tosyl-3-aza[5]metacyclophane: A Highly Strained Aromatic System","Journal of the American Chemical Society","1997","119","","615","616","10.1021/ja9634987","","","0.71073","MoKa","","0.0722","0.0478","","0.0944","0.087","","","","1.028","1.083","1.083","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4116950","11.381","0.002","13.116","0.003","25.846","0.005","90","","90","","90","","3858.1","1.3","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 Cl4 N2 Ni P2 S2 -","- C38 H34 Cl4 N2 Ni P2 S2 -","- C152 H136 Cl16 N8 Ni4 P8 S8 -","4","1","","Sharada P. Kaiwar; Anthony Vodacek; Neil V. Blough; Robert S. Pilato","Excited State Properties of Quinoxaline-Substituted Platinum 1,2-Enedithiolates","Journal of the American Chemical Society","1997","119","","3311","3316","10.1021/ja9626998","","","0.71073","MoKα","","0.1604","0.0983","","0.1857","0.1609","","","","1.105","1.232","1.232","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116984","14.975","0.001","19.473","0.001","28.242","0.002","90","","90","","90","","8235.6","0.9","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","C11H24N2S2=N,N-diethyl-3,7-diazanonane-1,9-dithiolat C15H23S=2,4,6-trisiopropylbenzenethiolat","","- C56 H102 Fe4 N4 Ni2 O S10 -","- C56 H102 Fe4 N4 Ni2 O S10 -","- C224 H408 Fe16 N16 Ni8 O4 S40 -","4","1","","Frank Osterloh; Wolfgang Saak; Siegfried Pohl","Unidentate and Bidentate Binding of Nickel(II) Complexes to an Fe4S4 Cluster via Bridging Thiolates: Synthesis, Crystal Structures, and Electrochemical Properties of Model Compounds for the Active Sites of Nickel Containing CO Dehydrogenase/Acetyl-CoA Synthase","Journal of the American Chemical Society","1997","119","","5648","5656","10.1021/ja970194r","","","0.71073","MoKα","","0.1006","0.0761","","0.2485","0.1921","","","","1.262","1.255","1.255","","","","","has coordinates","178940","2020-10-21","18:00:00",""
"4116991","16.167","0.007","28.707","0.004","10.257","0.006","90","","90","","90","","4760","4","290.2","","290.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71 B O2 P2 Ru -","- C52 H71 B O2 P2 Ru -","- C208 H284 B4 O8 P8 Ru4 -","4","1","","Isaac de los Ríos; Manuel Jiménez Tenorio; M. Carmen Puerta; Pedro Valerga","Alternative Mechanisms of the Alkyne to Vinylidene Isomerization Promoted by Half-Sandwich Ruthenium Complexes. X-ray Crystal Structures of [Cp*RuCCHCOOMe(dippe)][BPh4] and [Cp*RuH(C\τbCCOOMe)(dippe)][BPh4] (dippe = 1,2-bis(diisopropylphosphino)ethane; Cp* = C5Me5)","Journal of the American Chemical Society","1997","119","","6529","6538","10.1021/ja9701220","","","0.7107","MoKalpha","","","0.0642","","","0.0727","","","","","1.535","1.535","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117010","6.328","0.003","16.743","0.008","21.03","0.02","90","","90","","90","","2228","3","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O5 -","- C22 H38 O5 -","- C88 H152 O20 -","4","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.1371","0.076","","0.1824","0.1409","","","","1.214","1.238","1.238","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117011","6.412","0.001","10.744","0.003","31.257","0.009","90","","90","","90","","2153.3","0.9","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O5 -","- C22 H38 O5 -","- C88 H152 O20 -","4","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.0523","0.0436","","0.1189","0.1059","","","","1.075","1.036","1.036","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117013","5.7155","0.0005","11.0402","0.0011","28.497","0.003","90","","90","","90","","1798.2","0.3","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Laura R. Cook; Hitoshi Oinuma; Marcus A. Semones; Yoshito Kishi","The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin","Journal of the American Chemical Society","1997","119","","7928","7937","10.1021/ja971259t","","","0.71073","MoKα","","0.0977","0.0616","","0.1515","0.1234","","","","1.157","1.138","1.138","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117024","8.9722","0.0002","9.8641","0.0002","24.0202","0.0005","90","","90","","90","","2125.85","0.08","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O -","- C28 H25 N O -","- C112 H100 N4 O4 -","4","1","","D. Tyler McQuade; Sonya L. McKay; Douglas R. Powell; Samuel H. Gellman","Indifference to Hydrogen Bonding in a Family of Secondary Amides","Journal of the American Chemical Society","1997","119","","8528","8532","10.1021/ja9711019","","","0.71073","MoKα","","0.0365","0.0314","","0.0797","0.0741","","","","1.082","1.048","1.048","","","","","has coordinates","178941","2020-10-21","18:00:00",""
"4117067","7.6495","0.0003","18.7062","0.0002","24.6703","0.0005","90","","90","","90","","3530.15","0.16","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34.73 H47.47 N4 O6.87 S -","- C34.736 H47.472 N4 O6.868 S -","- C138.944 H189.888 N16 O27.472 S4 -","4","1","","Susanne Krauthäuser; Laurie A. Christianson; Douglas R. Powell; Samuel H. Gellman","Antiparallel Sheet Formation in β-Peptide Foldamers: Effects of β-Amino Acid Substitution on Conformational Preference1","Journal of the American Chemical Society","1997","119","","11719","11720","10.1021/ja9730627","","","0.71073","MoKα","","0.1294","0.067","","0.1789","0.1466","","","","1.034","1.153","1.153","","","","","has coordinates,has disorder","178941","2020-10-21","18:00:00",""
"4117114","18.631","0.002","19.482","0.002","18.518","0.002","90","","90","","90","","6721.5","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Z-[L-(alphaMe)Val]8-OtBu","","","- C60 H104 N8 O11 -","- C60 H104 N8 O11 -","- C240 H416 N32 O44 -","4","1","","Claudio Toniolo; Alessandra Polese; Fernando Formaggio; Marco Crisma; Johan Kamphuis","Circular Dichroism Spectrum of a Peptide 310-Helix","Journal of the American Chemical Society","1996","118","","2744","2745","10.1021/ja9537383","","","0.7107","MoKα","","0.2693","0.0568","","0.1872","0.1399","","","","0.715","1.148","1.148","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117119","9.343","0.001","10.124","0.001","22.733","0.002","90","","90","","90","","2150.3","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Br N O6 -","- C20 H30 Br N O6 -","- C80 H120 Br4 N4 O24 -","4","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.1039","0.048","","0.0872","0.0725","","","","1.031","1.092","1.092","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117120","9.198","0.001","12.56","0.001","14.297","0.001","90","","90","","90","","1651.7","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.0964","0.0485","","0.1092","0.0888","","","","1.018","1.08","1.08","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117121","6.204","0.001","10.988","0.001","24.18","0.004","90","","90","","90","","1648.3","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Stephen F. Martin; Kenneth J. Barr","Vinylogous Mannich Reactions. The Asymmetric Total Synthesis of (+)-Croomine","Journal of the American Chemical Society","1996","118","","3299","3300","10.1021/ja9542146","","","0.71073","MoKα","","0.0942","0.0562","","0.1538","0.1256","","","","0.986","1.001","1.001","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117122","7.572","0.001","34.424","0.006","6.321","0.001","90","0","90","0","90","0","1647.6","0.4","293","","","","","","","","","","(+-)-1-phenylethylammonium a-methylcinnamate 1a-7b","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0548","","","0.0531","","","","","8.0509","8.0509","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117130","14.901","0.002","18.377","0.002","5.97","0.001","90","0","90","0","90","0","1634.8","0.4","293","","","","","","","","","","(+-)-1-(2-methylphenyl)ethylammonium cinnamate 1b-7a","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0444","","","0.0452","","","","","10.536","10.536","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117133","13.659","0.002","20.024","0.003","6.357","0.001","90","0","90","0","90","0","1738.7","0.5","293","","","","","","","","","","(R)-1-(1-naphthyl)ethylammonium phenylacetate 3-10b","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0374","","","0.034","","","","","6.1179","6.1179","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117135","9.376","0.001","28.353","0.004","6.076","0.001","90","0","90","0","90","0","1615.2","0.4","293","","","","","","","","","","(R)-1-phenylethylammonium p-chlorocinnamate (R)-1a-7c","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O2 -","- C17 H18 Cl N O2 -","- C68 H72 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0546","","","0.0671","","","","","12.289","12.289","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117137","7.182","0.001","32.302","0.005","6.256","0.002","90","0","90","0","90","0","1451.3","0.6","293","","","","","","","","","","(R)-1-phenylethylammonium m-chlorobenzoate (R)-1a-9f","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0574","","","0.0652","","","","","12.902","12.902","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117138","10.089","0.001","23.117","0.002","5.973","0.001","90","","90","","90","","1393.1","0.3","293","","","","","","","","","","(R)-1-phenylethylammonium p-chlorobenzoate (R)-1a-9g","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl N O2 -","- C15 H16 Cl N O2 -","- C60 H64 Cl4 N4 O8 -","4","1","","Kazushi Kinbara; Yukihiko Hashimoto; Makoto Sukegawa; Hiroyuki Nohira; Kazuhiko Saigo","Crystal Structures of the Salts of Chiral Primary Amines with Achiral Carboxylic Acids: Recognition of the Commonly-Occurring Supramolecular Assemblies of Hydrogen-Bond Networks and Their Role in the Formation of Conglomerates","Journal of the American Chemical Society","1996","118","","3441","3449","10.1021/ja9539960","","","1.54178","CuK-alpha","","","0.0492","","","0.0573","","","","","13.16","13.16","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117144","5.8088","0.0003","17.976","0.002","18.213","0.002","90","0.009","90","0.006","90","0.007","1901.8","0.3","293","","293","","","","","","","","See Experimental","3","P 21 21 21","P 2ac 2ab","19","","1β-tert-butoxy-6-(E)-ethylidene-3aα,4α,5,6,7,8,9,9a-octahydro-9aβ-methyl -7-oxo-4β-cyclopentacyclooctenecarboxylic acid methyl ester","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Chao-Jun Li; Dong-Li Chen; Yue-Qi Lu; John X. Haberman; Joel T. Mague","Novel Carbocyle Enlargement in Aqueous Medium","Journal of the American Chemical Society","1996","118","","4216","4217","10.1021/ja960489p","","","0.71073","Mo-Kα,graphitemonochromated","","0.076","0.043","","","0.06","","","","","2.006","2.006","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117156","8.0115","0.0004","12.8872","0.0006","15.3184","0.0007","90","","90","","90","","1581.56","0.13","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N3 O3 -","- C16 H24 N3 O3 -","- C64 H96 N12 O12 -","4","1","","Stephen F. Nelsen; Rustem F. Ismagilov; Douglas R. Powell","Charge Localization in a Dihydrazine Analogue of Tetramethyl-p-phenylenediamine Radical Cation","Journal of the American Chemical Society","1996","118","","6313","6314","10.1021/ja960500l","","","0.71073","MoKα","","0.0361","0.0336","","0.0862","0.0828","","","","1.073","1.052","1.052","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117159","10.987","0.003","11.25","0.002","12.389","0.002","90","","90","","90","","1531.3","0.6","193","2","293","2","","","","","","","Ronald C. Newbold","5","P 21 21 21","P 2ac 2ab","19","OsO4-diamine complex","Osmium tetraoxide - (R,R)-trans-1,2-bispyrollidinecyclohexane complex","","- C14 H26 N2 O4 Os -","- C14 H26 N2 O4 Os -","- C56 H104 N8 O16 Os4 -","4","1","","E. J. Corey; Sepehr Sarshar; Mihai D. Azimioara; Ronald C. Newbold; Mark C. Noe","X-ray Crystal and NMR Structure of a Highly Reactive Bidentate 1,2-Diamine-OsO4 Complex, Formally a 20-Electron Outer Valence Shell Species. Mechanistic Implications for the 1,2-Diamine-Accelerated Dihydroxylation of Olefins by OsO4","Journal of the American Chemical Society","1996","118","","7851","7852","10.1021/ja960536d","","","0.71073","MoKα","","0.0534","0.0441","","0.1114","0.1041","","","","1.003","1.012","1.012","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117160","9.905","0.001","20.819","0.003","8.337","0.004","90","","90","","90","","1719.2","0.9","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 O2 S -","- C84 H64 O8 S4 -","- C84 H64 O8 S4 -","","","","Masami Sakamoto; Masaki Takahashi; Shin Moriizumi; Kentaro Yamaguchi; Tsutomu Fujita; Shoji Watanabe","Solid State Photochemistry: Absolute Asymmetric Photocyclization of an Achiral S-Arylo-Benzoylbenzothioate to an Optically Active Phthalide Involving a Novel Phenyl Migration","Journal of the American Chemical Society","1996","118","","8138","8139","10.1021/ja960823h","","","1.5418","CuKalpha","","","0.054","","","0.054","","","","","2.46","2.46","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117191","7.0764","0.0011","8.0669","0.0013","24.681","0.004","90","","90","","90","","1408.9","0.4","198","2","198","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-deoxy-7-hydroxymethyl-7-deazaadenosine","","","- C12 H20 N4 O6 -","- C12 H20 N4 O6 -","- C48 H80 N16 O24 -","4","1","","Jason K. Rockhill; Scott R. Wilson; Richard I. Gumport","2'-Deoxy-7-(hydroxymethyl)-7-deazaadenosine: A New Analogue to Model Structural Water in the Major Groove of DNA","Journal of the American Chemical Society","1996","118","","10065","10068","10.1021/ja961540s","","","0.71073","MoKα","","0.104","0.0739","","0.2016","0.175","","","","1.168","1.18","1.18","","","","","has coordinates","178942","2020-10-21","18:00:00",""
"4117206","14.597","0.002","20.56","0.007","22.004","0.003","90","","90","","90","","6604","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dihydroxylation product of 14-Bromo 7","","","- C20 H15 Br O2 -","- C20 H15 Br O2 -","- C320 H240 Br16 O32 -","16","4","","E. J. Corey; Mark C. Noe","A Critical Analysis of the Mechanistic Basis of Enantioselectivity in the Bis-Cinchona Alkaloid Catalyzed Dihydroxylation of Olefins","Journal of the American Chemical Society","1996","118","","11038","11053","10.1021/ja961233m","","","0.71073","MoKα","","0.1544","0.0968","","0.2688","0.2248","","","","1.027","1.093","1.093","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117209","9.384","0.002","12.768","0.003","28.086","0.005","90","","90","","90","","3365.1","1.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H47 Br O6 -","- C35 H47 Br O6 -","- C140 H188 Br4 O24 -","4","1","","Ruggero Curci; Antonia Detomaso; Maria E. Lattanzio; Gene B. Carpenter","Oxidation of Natural Targets by Dioxiranes. 4.1High Stereo- and Regioselective Conversion of Vitamin D2 to Its (all-R) Tetraepoxide and C-25 Hydroxy Derivative","Journal of the American Chemical Society","1996","118","","11089","11092","10.1021/ja9626300","","","0.71073","MoKa","","0.1727","0.0625","","0.1858","0.1486","","","","0.809","1.149","1.149","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117211","14.908","0.004","25.367","0.006","5.457","0.003","90","","90","","90","","2063.7","1.4","293.2","","293.2","","","","","","","","Synthesis in H. Koshima's laboratory","4","P 21 21 21","P 2ac 2ab","19","Chiral two-molecule crystal of acridine and diphenylacetic acid","","","- C27 H21 N O2 -","- C27 H21 N O2 -","- C108 H84 N4 O8 -","4","1","","Hideko Koshima; Kuiling Ding; Yosuke Chisaka; Teruo Matsuura","Generation of Chirality in a Two-Component Molecular Crystal of Acridine and Diphenylacetic Acid and Its Absolute Asymmetric Photodecarboxylating Condensation","Journal of the American Chemical Society","1996","118","","12059","12065","10.1021/ja961106q","","","1.5418","CuKα","","","0.043","","","0.058","","","","","1.84","1.84","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117225","11.976","0.005","14.584","0.004","16.913","0.005","90","","90","","90","","2954","1.7","293","2","293","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Cr O7 -","- C28 H38 Cr O7 -","- C112 H152 Cr4 O28 -","4","1","","José Barluenga; Andrés A. Trabanco; Josefa Flórez; Santiago García-Granda; Eduardo Martín","Asymmetric Conjugate Nucleophilic Addition of Organolithiums to Chromium (Menthyloxy)(aryl)carbene Complexes","Journal of the American Chemical Society","1996","118","","13099","13100","10.1021/ja962770+","","","0.71073","MoKα","","0.081","0.0352","","0.0845","0.0725","","","","1.05","1.097","1.097","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4117248","10.8009","0.0004","16.5677","0.0005","17.0172","0.0006","90","","90","","90","","3045.16","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H10 S4 -","- C52 H10 S4 -","- C208 H40 S16 -","4","1","","Lawrence T. Scott; Edward A. Jackson; Qianyan Zhang; Brian D. Steinberg; Mihail Bancu; Bo Li","A Short, Rigid, Structurally Pure Carbon Nanotube by Stepwise Chemical Synthesis","Journal of the American Chemical Society","2012","134","","107","110","10.1021/ja209461g","","","0.71073","MoKα","","0.0547","0.0375","","","0.0765","0.0833","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117249","4.763","0.0001","11.2526","0.0002","22.7956","0.0005","90","","90","","90","","1221.76","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2-(benzylseleninyl)phenyl)methanol","(2-(benzylseleninyl)phenyl)methanol","","- C14 H14 O2 Se -","- C14 H14 O2 Se -","- C56 H56 O8 Se4 -","4","1","","Vanessa Nascimento; Eduardo E. Alberto; Daniel W. Tondo; Daniel Dambrowski; Michael R. Detty; Faruk Nome; Antonio L. Braga","GPx-Like Activity of Selenides and Selenoxides: Experimental Evidence for the Involvement of Hydroxy Perhydroxy Selenane as the Active Species","Journal of the American Chemical Society","2012","134","","138","141","10.1021/ja209570y","","","0.71073","MoKα","","0.0219","0.02","","","0.0489","0.0497","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117319","5.6703","0.0004","20.4999","0.0013","23.5934","0.0016","90","","90","","90","","2742.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N2 O12 -","- C27 H36 N2 O12 -","- C108 H144 N8 O48 -","4","1","","Akihiko Yamamoto; Atsushi Ueda; Paul Brémond; Paolo S. Tiseni; Yoshito Kishi","Total Synthesis of Halichondrin C","Journal of the American Chemical Society","2012","134","","893","896","10.1021/ja2108307","","","1.54178","CuKα","","0.0562","0.041","","","0.0952","0.1042","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117320","6.9538","0.0002","14.2273","0.0004","35.8922","0.0008","90","","90","","90","","3550.95","0.16","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 I N O -","- C19 H20 I N O -","- C152 H160 I8 N8 O8 -","8","2","","Seiji Shirakawa; Kun Liu; Keiji Maruoka","Catalytic Asymmetric Synthesis of Axially Chiralo-Iodoanilides by Phase-Transfer Catalyzed Alkylations","Journal of the American Chemical Society","2012","134","","916","919","10.1021/ja211069f","","","1.54187","CuKα","","","0.0529","","","","0.1455","","","","","","0.836","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117339","9.11","0.009","16.152","0.015","24.27","0.02","90","","90","","90","","3571","6","173","","173","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H49 Cl F6 N2 P2 Rh Sb -","- C30 H49 Cl F6 N2 P2 Rh Sb -","- C120 H196 Cl4 F24 N8 P8 Rh4 Sb4 -","4","1","","Tsuneo Imamoto; Ken Tamura; Zhenfeng Zhang; Yumi Horiuchi; Masashi Sugiya; Kazuhiro Yoshida; Akira Yanagisawa; Ilya D. Gridnev","Rigid P-Chiral Phosphine Ligands with tert-Butylmethylphosphino Groups for Rhodium-Catalyzed Asymmetric Hydrogenation of Functionalized Alkenes","Journal of the American Chemical Society","2012","134","","1754","1769","10.1021/ja209700j","","","0.71073","MoKα","","0.0552","0.0386","","","0.0497","0.0531","","","","","","1.154","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117354","13.046","0.003","13.991","0.003","16.446","0.003","90","","90","","90","","3001.8","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","complex 5","","- C32 H32 F6 N2 Rh Sb -","- C32 H32 F6 N2 Rh Sb -","- C128 H128 F24 N8 Rh4 Sb4 -","4","1","","Michael E. Tauchert; Christopher D. Incarvito; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Mechanism of the Rhodium(III)-Catalyzed Arylation of Imines via C-H Bond Functionalization: Inhibition by Substrate","Journal of the American Chemical Society","2012","134","","1482","1485","10.1021/ja211110h","","","0.71073","MoKα","","0.0215","0.0198","","","0.0453","0.0468","","","","","","1.08","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117363","7.6944","0.0003","9.6777","0.0003","26.3981","0.0009","90","","90","","90","","1965.71","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O6 S4 -","- C18 H16 N2 O6 S4 -","- C72 H64 N8 O24 S16 -","4","1","","Julian A. Codelli; Angela L. A. Puchlopek; Sarah E. Reisman","Enantioselective Total Synthesis of (-)-Acetylaranotin, a Dihydrooxepine Epidithiodiketopiperazine","Journal of the American Chemical Society","2012","134","","1930","1933","10.1021/ja209354e","","","0.71073","MoKα","","0.0483","0.0433","","","0.0639","0.0642","","","","","","2.797","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117392","7.5927","0.0005","19.6428","0.0013","21.5544","0.0014","90","","90","","90","","3214.7","0.4","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 I -","- C20 H17 I -","- C160 H136 I8 -","8","2","","Aaron Sattler; Gerard Parkin","A New Class of Transition Metal Pincer Ligand: Tantalum Complexes that Feature a [CCC] X3-Donor Array Derived from a Terphenyl Ligand","Journal of the American Chemical Society","2012","134","","2355","2366","10.1021/ja210404x","","","0.71073","MoKα","","0.0287","0.0247","","","0.0557","0.0575","","","","","","1.037","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117397","9.791","0.002","13.307","0.002","18.432","0.002","90","","90","","90","","2401.5","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl Mo N2 O5 Si -","- C20 H23 Cl Mo N2 O5 Si -","- C80 H92 Cl4 Mo4 N8 O20 Si4 -","4","1","","Ramachandran Azhakar; Rajendra S. Ghadwal; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Stabilization of Low Valent Silicon Fluorides in the Coordination Sphere of Transition Metals","Journal of the American Chemical Society","2012","134","","2423","2428","10.1021/ja210697p","","","0.5608","AgKα","","0.0558","0.0472","","","0.1175","0.1208","","","","","","1.042","","","","has coordinates","178944","2020-10-21","18:00:00",""
"4117411","7.3579","0.0019","16.661","0.004","39.735","0.011","90","","90","","90","","4871","2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ubsc04","","","- C30 H27 N O2 S -","- C30 H27 N O2 S -","- C240 H216 N8 O16 S8 -","8","2","","Timothy W. Liwosz; Sherry R. Chemler","Copper-Catalyzed Enantioselective Intramolecular Alkene Amination/Intermolecular Heck-Type Coupling Cascade","Journal of the American Chemical Society","2012","134","","2020","2023","10.1021/ja211272v","","","0.71073","MoKα","","0.0777","0.0581","","","0.1198","0.128","","","","","","1.047","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117435","10.1287","0.0009","11.8446","0.0012","14.014","0.0014","90","","90","","90","","1681.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","JFB-02-104","toste33","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Jean-François Brazeau; Suyan Zhang; Ignacio Colomer; Britton K. Corkey; F. Dean Toste","Enantioselective Cyclizations of Silyloxyenynes Catalyzed by Cationic Metal Phosphine Complexes","Journal of the American Chemical Society","2012","134","","2742","2749","10.1021/ja210388g","","","1.54178","CuKα","","0.0263","0.0261","","","0.0697","0.0699","","","","","","1.058","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4117437","6.1292","0.0003","10.4615","0.0004","21.2155","0.0009","90","","90","","90","","1360.35","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C56 H80 O8 S4 -","4","1","","Forest J. Robertson; Jimmy Wu","Phosphorothioic Acids and Related Compounds as Surrogates for H2S-Synthesis of Chiral Tetrahydrothiophenes","Journal of the American Chemical Society","2012","134","","2775","2780","10.1021/ja210758n","","x-ray","1.54178","CuKα","","0.0771","0.0518","","","0.1119","0.1214","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4117485","20.2808","0.001","31.1535","0.0014","13.2331","0.0007","90","","90","","90","","8360.9","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C68 H60 Ag4 Au4 B4 F16 N8 S8 -","- C68 H60 Ag4 Au4 B4 F16 N8 S8 -","- C272 H240 Ag16 Au16 B16 F64 N32 S32 -","4","1","","Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer","A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions","Journal of the American Chemical Society","2012","134","","2938","2941","10.1021/ja211549e","","","1.54178","CuKα","","0.0853","0.0823","","","0.2051","0.2078","","","","","","1.118","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117492","10.592","0.005","13.611","0.007","18.762","0.009","90","","90","","90","","2705","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Cu N3 O5 -","- C31 H29 Cu N3 O5 -","- C124 H116 Cu4 N12 O20 -","4","1","","Qing-Hai Deng; Hubert Wadepohl; Lutz H. Gade","Highly Enantioselective Copper-Catalyzed Alkylation of β-Ketoesters and Subsequent Cyclization to Spirolactones/Bi-spirolactones","Journal of the American Chemical Society","2012","134","","2946","2949","10.1021/ja211859w","","x-ray","0.71073","MoKα","","0.0441","0.0344","","","0.0754","0.0798","","","","","","1.038","","","","has coordinates","178945","2020-10-21","18:00:00",""
"4117508","10.4095","0.0013","14.9482","0.0019","26.671","0.003","90","","90","","90","","4150.1","0.9","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H72 P4 Ru -","- C42 H72 P4 Ru -","- C168 H288 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.029","0.0276","","","0.067","0.0675","","","","","","1.155","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117509","10.4162","0.0013","14.9533","0.0009","26.769","0.011","90","","90","","90","","4169.4","1.8","110","2","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H72 P4 Ru -","- C42 H72 P4 Ru -","- C168 H288 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.049","0.0452","","","0.1067","0.109","","","","","","1.093","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117511","10.8954","0.0006","18.2414","0.0009","18.2696","0.0009","90","","90","","90","","3631","0.3","110","0.2","110","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 P4 Ru Si -","- C34 H64 P4 Ru Si -","- C136 H256 P16 Ru4 Si4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.031","0.0275","","","0.0561","0.0578","","","","","","1.049","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117514","10.09766","0.00017","18.0979","0.0003","20.9211","0.0003","90","","90","","90","","3823.26","0.11","110","2","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H69 B O2 P4 Ru -","- C34 H69 B O2 P4 Ru -","- C136 H276 B4 O8 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0289","0.0249","","","0.0524","0.054","","","","","","1.055","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117515","10.2481","0.0003","17.7037","0.0005","19.8698","0.0005","90","","90","","90","","3604.96","0.17","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 P4 Ru -","- C38 H60 P4 Ru -","- C152 H240 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0281","0.0251","","","0.0526","0.0538","","","","","","1.058","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117516","10.2545","0.0014","17.707","0.002","19.889","0.003","90","","90","","90","","3611.4","0.8","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 P4 Ru -","- C38 H60 P4 Ru -","- C152 H240 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.71073","MoKα","","0.0284","0.0242","","","0.0545","0.0562","","","","","","1.049","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117518","11.60235","0.00014","13.80119","0.00014","19.8946","0.0002","90","","90","","90","","3185.65","0.06","110","","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H56 Cl2 P4 Ru -","- C28 H56 Cl2 P4 Ru -","- C112 H224 Cl8 P16 Ru4 -","4","1","","Marius V. Câmpian; Robin N. Perutz; Barbara Procacci; Robert J. Thatcher; Olga Torres; Adrian C. Whitwood","Selective Photochemistry at Stereogenic Metal and Ligand Centers of cis-[Ru(diphosphine)2(H)2]: Preparative, NMR, Solid State, and Laser Flash Studies","Journal of the American Chemical Society","2012","134","","3480","3497","10.1021/ja210568t","","","0.7107","MoKα","","0.0366","0.0317","","","0.0556","0.0576","","","","","","1.014","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117573","14.798","0.0011","21.3174","0.0016","27.914","0.003","90","","90","","90","","8805.6","1.3","123.1","","123.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C115 H89 Cl2 Co N8 -","- C115 H89 Cl2 Co N8 -","- C460 H356 Cl8 Co4 N32 -","4","1","","Tatsuhiko Honda; Takahiko Kojima; Shunichi Fukuzumi","Proton-Coupled Electron-Transfer Reduction of Dioxygen Catalyzed by a Saddle-Distorted Cobalt Phthalocyanine","Journal of the American Chemical Society","2012","134","","4196","4206","10.1021/ja209978q","","","0.7107","MoKα","","","0.0446","","","","0.0949","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117586","6.3294","0.0005","14.236","0.0012","20.5165","0.0015","90","","90","","90","","1848.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","","Haejin Kim; Young Ho Rhee","Stereodefined N,O-Acetals: Pd-Catalyzed Synthesis from Homopropargylic Amines and Utility in the Flexible Synthesis of 2,6-Substituted Piperidines","Journal of the American Chemical Society","2012","134","","4011","4014","10.1021/ja2116298","","","0.71073","MoKα","","0.0734","0.0489","","","0.1099","0.1213","","","","","","1.035","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117588","6.5844","0.0007","8.8601","0.001","18.55","0.002","90","","90","","90","","1082.2","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0327","0.0318","","","0.0781","0.0789","","","","","","1.088","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117589","11.4894","0.0012","15.611","0.002","19.049","0.003","90","","90","","90","","3416.6","0.8","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C144 H180 N12 O36 -","12","3","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0961","0.086","","","0.2082","0.2161","","","","","","1.156","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117591","6.5505","0.0004","8.8117","0.0005","18.9261","0.0011","90","","90","","90","","1092.43","0.11","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.032","0.0293","","","0.0759","0.0774","","","","","","1.023","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117592","6.7608","0.0003","11.1455","0.0004","21.7524","0.0009","90","","90","","90","","1639.1","0.12","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0268","0.0253","","","0.0626","0.0638","","","","","","1.044","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117594","6.139","0.0004","11.7027","0.0008","12.4248","0.0009","90","","90","","90","","892.63","0.11","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2012","134","","4037","4040","10.1021/ja211840k","","","0.71073","MoKα","","0.0237","0.0231","","","0.0615","0.0622","","","","","","1.083","","","","has coordinates","178946","2020-10-21","18:00:00",""
"4117603","8.6491","0.0004","9.9416","0.0004","24.6891","0.0009","90","","90","","90","","2122.91","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N -","- C27 H29 N -","- C108 H116 N4 -","4","1","","Simon Duttwyler; Colin Lu; Arnold L. Rheingold; Robert G. Bergman; Jonathan A. Ellman","Highly Diastereoselective Synthesis of Tetrahydropyridines by a C-H Activation-Cyclization-Reduction Cascade","Journal of the American Chemical Society","2012","134","","4064","4067","10.1021/ja2119833","","","1.54178","CuKα","","0.0579","0.0456","","","0.1113","0.1176","","","","","","0.977","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117614","14.127","0.0003","15.3789","0.0003","17.9513","0.0003","90","","90","","90","","3900.06","0.13","193","2","193","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C57 H44 -","- C57 H44 -","- C228 H176 -","4","1","","Yayoi Sawada; Seiichi Furumi; Atsuro Takai; Masayuki Takeuchi; Keiichi Noguchi; Ken Tanaka","Rhodium-Catalyzed Enantioselective Synthesis, Crystal Structures, and Photophysical Properties of Helically Chiral 1,1'-Bitriphenylenes","Journal of the American Chemical Society","2012","134","","4080","4083","10.1021/ja300278e","","","1.54187","CuKα","","0.0414","0.0402","","","0.1046","0.1067","","","","","","1.143","","","","has coordinates,has disorder","178947","2020-10-21","18:00:00",""
"4117631","8.5265","0.0008","15.0901","0.0014","18.2616","0.0017","90","","90","","90","","2349.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 N O2 P -","- C30 H24 N O2 P -","- C120 H96 N4 O8 P4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0542","0.0435","","","0.0888","0.0927","","","","","","0.974","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117633","8.2558","0.0007","13.4291","0.0011","19.6028","0.0015","90","","90","","90","","2173.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N O2 P -","- C26 H24 N O2 P -","- C104 H96 N4 O8 P4 -","4","1","","Wen-Bo Liu; Chao Zheng; Chun-Xiang Zhuo; Li-Xin Dai; Shu-Li You","Iridium-Catalyzed Allylic Alkylation Reaction with N-Aryl Phosphoramidite Ligands: Scope and Mechanistic Studies","Journal of the American Chemical Society","2012","134","","4812","4821","10.1021/ja210923k","","","0.71073","MoKα","","0.0557","0.052","","","0.1466","0.1505","","","","","","1.044","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117638","5.824","0.0006","12.8616","0.0012","20.943","0.002","90","","90","","90","","1568.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","07159a","","","- C16 H20 Cl N O2 -","- C16 H20 Cl N O2 -","- C64 H80 Cl4 N4 O8 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","0.71073","MoKα","","0.0414","0.0335","","","0.0729","0.0765","","","","","","1.061","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117639","9.8098","0.0002","10.8229","0.0002","17.5387","0.0003","90","","90","","90","","1862.09","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 S -","- C20 H18 N2 O4 S -","- C80 H72 N8 O16 S4 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","1.54178","CuKα","","0.0328","0.0304","","","0.0796","0.0812","","","","","","1.074","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117640","8.9014","0.0002","11.7597","0.0002","17.7704","0.0004","90","","90","","90","","1860.17","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 S -","- C21 H22 N2 O3 S -","- C84 H88 N8 O12 S4 -","4","1","","Barry M. Trost; Steven M. Silverman","Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines","Journal of the American Chemical Society","2012","134","","4941","4954","10.1021/ja210981a","","","1.54178","CuKα","","0.0259","0.0252","","","0.0662","0.0666","","","","","","1.045","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117682","11.539","0.003","16.475","0.004","16.765","0.004","90","","90","","90","","3187.1","1.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 Cl Co N3 O -","- C33 H49 Cl Co N3 O -","- C132 H196 Cl4 Co4 N12 O4 -","4","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.0215","0.0202","","","0.0552","0.0557","","","","","","1.341","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117683","11.5067","0.0009","16.4629","0.0012","16.701","0.0012","90","","90","","90","","3163.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 Cl Co N3 O -","- C33 H49 Cl Co N3 O -","- C132 H196 Cl4 Co4 N12 O4 -","4","1","","Sebastien Monfette; Zoë R. Turner; Scott P. Semproni; Paul J. Chirik","Enantiopure C1-Symmetric Bis(imino)pyridine Cobalt Complexes for Asymmetric Alkene Hydrogenation","Journal of the American Chemical Society","2012","134","","4561","4564","10.1021/ja300503k","","","0.71073","MoKα","","0.021","0.0195","","","0.048","0.0486","","","","","","0.939","","","","has coordinates","178947","2020-10-21","18:00:00",""
"4117703","6.2746","0.0007","11.2697","0.0013","21.763","0.003","90","","90","","90","","1538.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C68 H100 N4 O8 -","4","1","","Nadeem S. Sheikh; Daniele Leonori; Graeme Barker; James D. Firth; Kevin R. Campos; Anthony J. H. M. Meijer; Peter O'Brien; Iain Coldham","An Experimental and in Situ IR Spectroscopic Study of the Lithiation-Substitution of N-Boc-2-phenylpyrrolidine and -piperidine: Controlling the Formation of Quaternary Stereocenters","Journal of the American Chemical Society","2012","134","","5300","5308","10.1021/ja211398b","","","0.71073","MoKα","","0.1125","0.0643","","","0.1309","0.1828","","","","","","1.259","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117744","15.7355","0.0007","16.2056","0.0008","30.5406","0.0014","90","","90","","90","","7788","0.6","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,1,1,3,3,3-hexa-tert-butyltrisilane-2,2-diyl 1',3',4',5'-tetramethyl-2',3'-dihydro-1'H-imidazole-2',2'-diyl complex","","- C35 H74 N2 O Si3 -","- C35 H74 N2 O Si3 -","- C280 H592 N16 O8 Si24 -","8","2","","Hiroaki Tanaka; Masaaki Ichinohe; Akira Sekiguchi","An Isolable NHC-Stabilized Silylene Radical Cation: Synthesis and Structural Characterization","Journal of the American Chemical Society","2012","134","","5540","5543","10.1021/ja301180v","","","0.71073","MoKα","","0.082","0.0661","","","0.2032","0.2133","","","","","","1.027","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117763","5.876","0.003","15.458","0.009","17.174","0.01","90","","90","","90","","1559.9","1.5","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br2 F N O -","- C17 H12 Br2 F N O -","- C68 H48 Br8 F4 N4 O4 -","4","1","","Yanchuan Zhao; Bing Gao; Jinbo Hu","From Olefination to Alkylation: In-Situ Halogenation of Julia-Kocienski Intermediates Leading to Formal Nucleophilic Iodo- and Bromodifluoromethylation of Carbonyl Compounds","Journal of the American Chemical Society","2012","134","","5790","5793","10.1021/ja301601b","","","0.71073","MoKα","","0.073","0.0551","","","0.1313","0.1394","","","","","","1.065","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4117811","9.2723","0.0009","16.0604","0.0016","18.9428","0.0019","90","","90","","90","","2820.9","0.5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 Br3 N4 O -","- C32 H25 Br3 N4 O -","- C128 H100 Br12 N16 O4 -","4","1","","Daniel A. DiRocco; Kevin M. Oberg; Tomislav Rovis","Isolable Analogues of the Breslow Intermediate Derived from Chiral Triazolylidene Carbenes","Journal of the American Chemical Society","2012","134","","6143","6145","10.1021/ja302031v","","","0.71073","MoKα","","0.1035","0.0371","","","0.0586","0.0693","","","","","","0.961","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117829","8.7605","0.0002","11.7073","0.0004","29.4967","0.0009","90","","90","","90","","3025.23","0.15","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H29 N O3 Si -","- C38 H29 N O3 Si -","- C152 H116 N4 O12 Si4 -","4","1","","Zhi-Yong Han; Dian-Feng Chen; Ya-Yi Wang; Rui Guo; Pu-Sheng Wang; Chao Wang; Liu-Zhu Gong","Hybrid Metal/Organo Relay Catalysis Enables Enynes To Be Latent Dienes for Asymmetric Diels-Alder Reaction","Journal of the American Chemical Society","2012","134","","6532","6535","10.1021/ja3007148","","","1.54184","CuKα","","0.0502","0.0439","","","0.1231","0.1312","","","","","","1.021","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117830","11.3523","0.0001","17.745","0.0001","22.1942","0.0001","90","","90","","90","","4470.95","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(I)2Si(B(L))(N(SiMe3)(2,6-C6H3iPr2))","","- C41 H62 B I2 N3 Si2 -","- C41 H62 B I2 N3 Si2 -","- C164 H248 B4 I8 N12 Si8 -","4","1","","Andrey V. Protchenko; Krishna Hassomal Birjkumar; Deepak Dange; Andrew D. Schwarz; Dragoslav Vidovic; Cameron Jones; Nikolas Kaltsoyannis; Philip Mountford; Simon Aldridge","A Stable Two-Coordinate Acyclic Silylene","Journal of the American Chemical Society","2012","134","","6500","6503","10.1021/ja301042u","","","0.71073","MoKα","","0.0342","0.029","","0.0349","0.0292","0.0281","","","","","","1.0162","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117847","26.4509","0.0011","30.4696","0.0013","34.6741","0.0015","90","","90","","90","","27946","2","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C168 H192 Cl8 N16 O8 Zn8 -","- C168 H192 Cl8 N16 O8 Zn8 -","- C672 H768 Cl32 N64 O32 Zn32 -","4","1","","Weimin Xuan; Mengni Zhang; Yan Liu; Zhijie Chen; Yong Cui","A Chiral Quadruple-Stranded Helicate Cage for Enantioselective Recognition and Separation","Journal of the American Chemical Society","2012","134","","6904","6907","10.1021/ja212132r","","","1.54178","CuKα","","0.1658","0.0882","","","0.2135","0.2352","","","","","","1.064","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117853","8.694","0.002","12.552","0.003","17.328","0.004","90","","90","","90","","1891","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br N2 O2 -","- C23 H17 Br N2 O2 -","- C92 H68 Br4 N8 O8 -","4","1","","Jia-Rong Chen; Wan-Rong Dong; Mathieu Candy; Fang-Fang Pan; Manuel Jörres; Carsten Bolm","Enantioselective Synthesis of Dihydropyrazoles by Formal [4+1] Cycloaddition of in Situ-Derived Azoalkenes and Sulfur Ylides","Journal of the American Chemical Society","2012","134","","6924","6927","10.1021/ja301196x","","","0.71073","MoKα","","0.0333","0.029","","","0.0635","0.0652","","","","","","1.05","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117854","12.361","0.003","20.068","0.004","24.351","0.005","90","","90","","90","","6041","2","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ar'Ga(C7H8)GaAr'","","","- C71 H92 Ga2 O -","- C71 H92 Ga2 O -","- C284 H368 Ga8 O4 -","4","1","","Christine A. Caputo; Jing-Dong Guo; Shigeru Nagase; James C. Fettinger; Philip P. Power","Reversible and Irreversible Higher-Order Cycloaddition Reactions of Polyolefins with a Multiple-Bonded Heavier Group 13 Alkene Analogue: Contrasting the Behavior of Systems with π-π, π-π*, and π-n+ Frontier Molecular Orbital Symmetry","Journal of the American Chemical Society","2012","134","","7155","7164","10.1021/ja301247h","","","0.71073","MoKα","","0.0257","0.0245","","","0.0581","0.0588","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117863","13.858","0.005","14.692","0.005","22.582","0.007","90","","90","","90","","4598","3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H63 N O Si2 -","- C50 H63 N O Si2 -","- C200 H252 N4 O4 Si8 -","4","1","","Daisuke Uraguchi; Kyohei Koshimoto; Takashi Ooi","Ionic Nucleophilic Catalysis of Chiral Ammonium Betaines for Highly Stereoselective Aldol Reaction from Oxindole-Derived Vinylic Carbonates","Journal of the American Chemical Society","2012","134","","6972","6975","10.1021/ja3022939","","","0.71073","MoKα","","0.1559","0.0939","","","0.2496","0.2888","","","","","","1.014","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117864","6.1197","0.0019","19.421","0.006","20.604","0.006","90","","90","","90","","2448.8","1.3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Br Cl N O2 -","- C29 H23 Br Cl N O2 -","- C116 H92 Br4 Cl4 N4 O8 -","4","1","","Daisuke Uraguchi; Kyohei Koshimoto; Takashi Ooi","Ionic Nucleophilic Catalysis of Chiral Ammonium Betaines for Highly Stereoselective Aldol Reaction from Oxindole-Derived Vinylic Carbonates","Journal of the American Chemical Society","2012","134","","6972","6975","10.1021/ja3022939","","","0.71073","MoKα","","0.0645","0.0438","","","0.0915","0.1106","","","","","","1.019","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117866","8.0419","0.0015","13.342","0.002","18.841","0.004","90","","90","","90","","2021.5","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H Cl4 N O3 Zr -","- C15 H19 Cl4 N O3 Zr -","- C60 H76 Cl16 N4 O12 Zr4 -","4","1","","Aaron T. Herrmann; Lindsay L. Smith; Armen Zakarian","A Simple Method for Asymmetric Trifluoromethylation of N-Acyl Oxazolidinones via Ru-Catalyzed Radical Addition to Zirconium Enolates","Journal of the American Chemical Society","2012","134","","6976","6979","10.1021/ja302552e","","","0.71073","MoKα","","0.06","0.0395","","","0.0718","0.078","","","","","","0.998","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117874","6.7873","0.0017","7.4504","0.0018","24.01","0.006","90","","90","","90","","1214.1","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Cl2 N -","- C11 H15 Cl2 N -","- C44 H60 Cl8 N4 -","4","1","","Julien Lefranc; Anne M. Fournier; Gaëlle Mingat; Simon Herbert; Tommaso Marcelli; Jonathan Clayden","Intramolecular Vinylation of Secondary and Tertiary Organolithiums","Journal of the American Chemical Society","2012","134","","7286","7289","10.1021/ja301591m","","","0.71073","MoKα","","0.1401","0.0868","","","0.0879","0.1014","","","","","","0.961","","","","has coordinates","178949","2020-10-21","18:00:00",""
"4117894","6.8865","0.0003","12.1853","0.0005","18.5285","0.0008","90","","90","","90","","1554.8","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 Cl3 N2 Nb O2 -","- C9 H20 Cl3 N2 Nb O2 -","- C36 H80 Cl12 N8 Nb4 O8 -","4","1","","Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw","Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States","Journal of the American Chemical Society","2012","134","","7301","7304","10.1021/ja302275j","","","0.71073","MoKα","","0.0427","0.0313","","","0.0417","0.0425","","","","","","1.31","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117924","11.6967","0.0007","17.9618","0.001","23.3919","0.0014","90","","90","","90","","4914.5","0.5","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C59 H56 B F4 Ir N O2 P -","- C59 H56 B F4 Ir N O2 P -","- C236 H224 B4 F16 Ir4 N4 O8 P4 -","4","1","","Sherzod T. Madrahimov; John F. Hartwig","Origins of Enantioselectivity during Allylic Substitution Reactions Catalyzed by Metallacyclic Iridium Complexes","Journal of the American Chemical Society","2012","134","","8136","8147","10.1021/ja212217j","","","0.71073","MoKα","","0.0467","0.0344","","","0.0627","0.0664","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117925","11.8217","0.0004","17.9236","0.0006","23.4719","0.0009","90","","90","","90","","4973.4","0.3","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C59 H54 B F6 Ir N O2 P -","- C59 H54 B F6 Ir N O2 P -","- C236 H216 B4 F24 Ir4 N4 O8 P4 -","4","1","","Sherzod T. Madrahimov; John F. Hartwig","Origins of Enantioselectivity during Allylic Substitution Reactions Catalyzed by Metallacyclic Iridium Complexes","Journal of the American Chemical Society","2012","134","","8136","8147","10.1021/ja212217j","","","0.71073","MoKα","","0.0737","0.0436","","","0.0694","0.0776","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117926","11.7247","0.0004","17.6448","0.0006","23.93","0.0008","90","","90","","90","","4950.6","0.3","193","2","193","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C59 H55 B Br F4 Ir N O2 P -","- C59 H55 B Br F4 Ir N O2 P -","- C236 H220 B4 Br4 F16 Ir4 N4 O8 P4 -","4","1","","Sherzod T. Madrahimov; John F. Hartwig","Origins of Enantioselectivity during Allylic Substitution Reactions Catalyzed by Metallacyclic Iridium Complexes","Journal of the American Chemical Society","2012","134","","8136","8147","10.1021/ja212217j","","","0.71073","MoKα","","0.0432","0.0316","","","0.0662","0.0703","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4117940","8.9538","0.0007","22.0679","0.0017","26.333","0.002","90","","90","","90","","5203.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N O4 S -","- C30 H33 N O4 S -","- C240 H264 N8 O32 S8 -","8","2","","Ming Bian; Zhen Wang; Xiaochun Xiong; Yu Sun; Carlo Matera; K. C. Nicolaou; Ang Li","Total Syntheses of Anominine and Tubingensin A","Journal of the American Chemical Society","2012","134","","8078","8081","10.1021/ja302765m","","","0.71073","MoKα","","0.0804","0.0564","","","0.1091","0.1183","","","","","","1.058","","","","has coordinates,has disorder","178950","2020-10-21","18:00:00",""
"4117942","9.0959","0.0004","16.5417","0.0007","18.7217","0.0008","90","","90","","90","","2816.9","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 Br3 N4 O -","- C33 H25 Br3 N4 O -","- C132 H100 Br12 N16 O4 -","4","1","","Daniel A. DiRocco; Tomislav Rovis","Catalytic Asymmetric α-Acylation of Tertiary Amines Mediated by a Dual Catalysis Mode: N-Heterocyclic Carbene and Photoredox Catalysis","Journal of the American Chemical Society","2012","134","","8094","8097","10.1021/ja3030164","","","0.71073","MoKα","","0.0663","0.0388","","","0.085","0.1144","","","","","","1.087","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117961","17.3261","0.0002","32.2069","0.0003","32.3667","0.0003","90","","90","","90","","18061.3","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42.88 H35.5 Eu F3 N6 O10.88 S -","- C42.875 H35.5 Eu F3 N6 O10.875 S -","- C686 H568 Eu16 F48 N96 O174 S16 -","16","4","","Gülay Bozoklu; Christelle Gateau; Daniel Imbert; Jacques Pécaut; Koen Robeyns; Yaroslav Filinchuk; Farah Memon; Gilles Muller; Marinella Mazzanti","Metal-Controlled Diastereoselective Self-Assembly and Circularly Polarized Luminescence of a Chiral Heptanuclear Europium Wheel","Journal of the American Chemical Society","2012","134","","8372","8375","10.1021/ja3020814","","","0.71073","MoKα","","0.0969","0.0439","","","0.0769","0.0833","","","","","","0.776","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4117965","10.3562","0.0003","17.8979","0.0005","44.1383","0.0014","90","","90","","90","","8181.2","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C71 H94 Cd3 Cu N11 O21 -","- C71 H94 Cd3 Cu N11 O21 -","- C284 H376 Cd12 Cu4 N44 O84 -","4","1","","Madhab C. Das; Qunsheng Guo; Yabing He; Jaheon Kim; Cong-Gui Zhao; Kunlun Hong; Shengchang Xiang; Zhangjing Zhang; K. Mark Thomas; Rajamani Krishna; Banglin Chen","Interplay of Metalloligand and Organic Ligand to Tune Micropores within Isostructural Mixed-Metal Organic Frameworks (M'MOFs) for Their Highly Selective Separation of Chiral and Achiral Small Molecules","Journal of the American Chemical Society","2012","134","","8703","8710","10.1021/ja302380x","","","0.71073","MoKα","","0.0631","0.0457","","","0.1127","0.1234","","","","","","1.02","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117970","11.2526","0.0015","16.943","0.002","22.475","0.003","90","","90","","90","","4284.9","1","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 Ho K O6 Si3 -","- C36 H63 Ho K O6 Si3 -","- C144 H252 Ho4 K4 O24 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.0432","0.0378","","","0.0657","0.067","","","","","","1.134","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117971","11.2622","0.0006","16.9412","0.001","22.451","0.0013","90","","90","","90","","4283.5","0.4","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 Er K O6 Si3 -","- C36 H63 Er K O6 Si3 -","- C144 H252 Er4 K4 O24 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Expanding Rare-Earth Oxidation State Chemistry to Molecular Complexes of Holmium(II) and Erbium(II)","Journal of the American Chemical Society","2012","134","","8420","8423","10.1021/ja303357w","","","0.71073","MoKα","","0.0157","0.015","","","0.0352","0.0355","","","","","","1.039","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117973","6.04693","0.00004","7.43176","0.00006","33.64396","0.0002","90","","90","","90","","1511.94","0.018","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54184","CuKα","","0.0284","0.0279","","","0.0723","0.0726","","","","","","1.034","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117977","7.4375","0.0001","14.1636","0.0001","16.3831","0.0001","90","","90","","90","","1725.82","0.03","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C80 H76 N4 O8 S4 -","4","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0212","0.0212","","","0.0586","0.0587","","","","","","1.058","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4117978","6.5739","0.0001","13.1819","0.0001","18.6778","0.0001","90","","90","","90","","1618.55","0.03","150","","150","","","","","","","","Aakarsh Saxena and Hon Lam sample BC77E","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 F N2 O2 -","- C17 H19 F N2 O2 -","- C68 H76 F4 N8 O8 -","4","1","","Aakarsh Saxena; Bonnie Choi; Hon Wai Lam","Enantioselective Copper-Catalyzed Reductive Coupling of Alkenylazaarenes with Ketones","Journal of the American Chemical Society","2012","134","","8428","8431","10.1021/ja3036916","","","1.54178","CuKα","","0.0233","0.023","","0.0456","0.0455","0.0456","","","","","","0.9967","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117980","7.5496","0.0002","11.4129","0.0003","17.1245","0.0004","90","","90","","90","","1475.5","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 B O2 -","- C15 H27 B O2 -","- C60 H108 B4 O8 -","4","1","","Darryl D. Dixon; Jonathan W. Lockner; Qianghui Zhou; Phil S. Baran","Scalable, Divergent Synthesis of Meroterpenoids via ""Borono-sclareolide""","Journal of the American Chemical Society","2012","134","","8432","8435","10.1021/ja303937y","","","1.54178","CuKα","","0.0389","0.0388","","","0.1012","0.1013","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4117999","7.7837","0.0001","10.9032","0.0002","28.9411","0.0004","90","","90","","90","","2456.15","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 O2 -","- C11 H24 O2 -","- C88 H192 O16 -","8","2","","Xiaoyong Li; Carmin E. Burrell; Richard J. Staples; Babak Borhan","Absolute Configuration for 1,n-Glycols: A Nonempirical Approach to Long-Range Stereochemical Determination","Journal of the American Chemical Society","2012","134","","9026","9029","10.1021/ja2119767","","x-ray","0.71073","MoKα","","0.0555","0.0393","","","0.0808","0.0919","","","","","","1.016","","","","has coordinates","178950","2020-10-21","18:00:00",""
"4118010","8.2232","0.0002","13.1668","0.0005","15.849","0.0005","90","","90","","90","","1716.02","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cp2Zr[N(SiHMe2)2]H","bis(cyclopentadienyl)hydrido[(t-butyl)dimethylsilylamido]zirconium","","- C14 H25 N Si2 Zr -","- C14 H25 N Si2 Zr -","- C56 H100 N4 Si8 Zr4 -","4","1","","KaKing Yan; Arkady Ellern; Aaron D. Sadow","Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer","Journal of the American Chemical Society","2012","134","","9154","9156","10.1021/ja302226c","","","0.71073","MoKα","","0.0301","0.0286","","","0.0737","0.0748","","","","","","1.065","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118020","9.1879","0.0002","9.3561","0.0002","28.4317","0.0007","90","","90","","90","","2444.07","0.1","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O3 S -","- C14 H12 O3 S -","- C112 H96 O24 S8 -","8","2","","Takahiro Nishimura; Yuka Takiguchi; Tamio Hayashi","Effect of Chiral Diene Ligands in Rhodium-Catalyzed Asymmetric Addition of Arylboronic Acids to α,β-Unsaturated Sulfonyl Compounds","Journal of the American Chemical Society","2012","134","","9086","9089","10.1021/ja303109q","","","1.54187","CuKα","","0.0421","0.0353","","","0.0787","0.0833","","","","","","1.034","","","","has coordinates","178951","2020-10-21","18:00:00",""
"4118053","7.4936","0.0007","12.4907","0.0011","19.9825","0.0018","90","","90","","90","","1870.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O -","- C21 H30 N2 O -","- C84 H120 N8 O4 -","4","1","","Cheng Zhang; Xin-Hu Hu; Ya-Hui Wang; Zhuo Zheng; Jie Xu; Xiang-Ping Hu","Highly Diastereo- and Enantioselective Cu-Catalyzed [3 + 3] Cycloaddition of Propargyl Esters with Cyclic Enamines toward Chiral Bicyclo[n.3.1] Frameworks","Journal of the American Chemical Society","2012","134","","9585","9588","10.1021/ja303129s","","","0.71073","MoKα","","0.0504","0.0403","","","0.1172","0.1255","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118118","9.1978","0.0002","13.4682","0.0003","15.3589","0.0003","90","","90","","90","","1902.63","0.07","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O4 -","- C22 H25 N O4 -","- C88 H100 N4 O16 -","4","1","","Gen Onodera; Yoshihisa Shimizu; Jun-na Kimura; Junya Kobayashi; Yukiko Ebihara; Kei Kondo; Ken Sakata; Ryo Takeuchi","Iridium-Catalyzed [2 + 2 + 2] Cycloaddition of α,ω-Diynes with Nitriles","Journal of the American Chemical Society","2012","134","","10515","10531","10.1021/ja3028394","","","1.54187","CuKα","","","0.037","","","","0.0978","","","","","","1.085","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118182","5.4496","0.0004","13.7116","0.0008","25.4795","0.0015","90","","90","","90","","1903.9","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O3 -","- C21 O3 -","- C84 O12 -","4","1","","Zhanjie Li; Brendan T. Parr; Huw M. L. Davies","Highly Stereoselective C-C Bond Formation by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Chiral Allylic Alcohols","Journal of the American Chemical Society","2012","134","","10942","10946","10.1021/ja303023n","","","1.54178","CuKα","","0.0999","0.0841","","","0.2394","0.2531","","","","","","1.895","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118194","9.2021","0.0003","10.0062","0.0004","17.8241","0.0006","90","","90","","90","","1641.21","0.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","PSF-IV-257","hartwig08","","- C11 H18 Cu F3 N2 O3 S -","- C11 H18 Cu F3 N2 O3 S -","- C44 H72 Cu4 F12 N8 O12 S4 -","4","1","","Patrick S. Fier; John F. Hartwig","Copper-Mediated Fluorination of Aryl Iodides","Journal of the American Chemical Society","2012","134","","10795","10798","10.1021/ja304410x","","","0.71073","MoKα","","0.025","0.0227","","","0.0516","0.0526","","","","","","1.025","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118197","6.231","0.002","7.756","0.003","26.639","0.01","90","","90","","90","","1287.4","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl O -","- C15 H17 Cl O -","- C60 H68 Cl4 O4 -","4","1","","Andrew DeAngelis; Olga Dmitrenko; Joseph M. Fox","Rh-Catalyzed Intermolecular Reactions of Cyclic α-Diazocarbonyl Compounds with Selectivity over Tertiary C-H Bond Migration","Journal of the American Chemical Society","2012","134","","11035","11043","10.1021/ja3046712","","","0.71073","MoKα","","0.0326","0.0314","","","0.086","0.0874","","","","","","1.018","","","","has coordinates","178952","2020-10-21","18:00:00",""
"4118208","11.8176","0.0005","14.2902","0.0005","19.048","0.0009","90","","90","","90","","3216.7","0.2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 D N O4 S -","- C40 H33 N O4 S -","- C160 H132 N4 O16 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0556","0.0449","","","0.1054","0.1109","","","","","","1.04","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118209","9.5692","0.0007","20.1333","0.0017","28.937","0.002","90","","90","","90","","5575","0.7","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C60.5 H60 Au Cl N O4 P S -","- C60.5 H60 Au Cl N O4 P S -","- C242 H240 Au4 Cl4 N4 O16 P4 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0741","0.0472","","","0.1021","0.1253","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4118210","9.5871","0.0004","17.2928","0.001","20.7027","0.0012","90","","90","","90","","3432.3","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H35 N O4 S -","- C45 H35 N O4 S -","- C180 H140 N4 O16 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0559","0.0433","","","0.1021","0.1161","","","","","","1.087","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118211","11.8294","0.0005","14.2973","0.0005","19.0353","0.0007","90","","90","","90","","3219.4","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H33.5 N O4.25 S -","- C40 H33.5 N O4.25 S -","- C160 H134 N4 O17 S4 -","4","1","","Weidong Rao; Ming Joo Koh; Prasath Kothandaraman; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Diyne Benzoates to Indeno[1,2-c]azepines and Azabicyclo[4.2.0]octa-1(8),5-dines","Journal of the American Chemical Society","2012","134","","10811","10814","10.1021/ja304964s","","","0.71073","MoKα","","0.0876","0.0757","","","0.1693","0.1824","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118217","9.2509","0.0006","15.2491","0.0015","15.8315","0.0015","90","","90","","90","","2233.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Cl F3 O2 -","- C11 H10 Cl F3 O2 -","- C88 H80 Cl8 F24 O16 -","8","2","","Nongnaphat Duangdee; Wacharee Harnying; Giuseppe Rulli; Jörg-M. Neudörfl; Harald Gröger; Albrecht Berkessel","Highly Enantioselective Organocatalytic Trifluoromethyl Carbinol Synthesis-A Caveat on Reaction Times and Product Isolation","Journal of the American Chemical Society","2012","134","","11196","11205","10.1021/ja302511t","","","0.71073","MoKα","","0.098","0.0464","","","0.0667","0.0784","","","","","","0.974","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118225","30.056","0.006","37.668","0.008","16.799","0.003","90","","90","","90","","19019","7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C194.5 H179 Cl6 N34 O36 -","- C195 H179 Cl6 N34 O36 -","- C780 H716 Cl24 N136 O144 -","4","1","","Yann Ferrand; Nagula Chandramouli; Amol M. Kendhale; Christophe Aube; Brice Kauffmann; Axelle Grélard; Michel Laguerre; Didier Dubreuil; Ivan Huc","Long-Range Effects on the Capture and Release of a Chiral Guest by a Helical Molecular Capsule","Journal of the American Chemical Society","2012","134","","11282","11288","10.1021/ja304322c","","","0.876","","","0.0801","0.0773","","","0.2091","0.212","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118233","6.3044","0.0012","9.775","0.002","16.431","0.003","90","","90","","90","","1012.6","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Br O2 -","- C9 H15 Br O2 -","- C36 H60 Br4 O8 -","4","1","","Daniel H. Paull; Chao Fang; James R. Donald; Andrew D. Pansick; Stephen F. Martin","Bifunctional Catalyst Promotes Highly Enantioselective Bromolactonizations To Generate Stereogenic C-Br Bonds","Journal of the American Chemical Society","2012","134","","11128","11131","10.1021/ja305117m","","","0.71075","MoKα","","0.0394","0.0354","","","0.083","0.0852","","","","","","1.068","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118240","22.4604","0.0006","25.1013","0.0006","35.8922","0.001","90","","90","","90","","20235.5","0.9","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4054-s12","","- C88 H79 Cl3 N16 O13 -","- C88 H79 Cl3 N16 O13 -","- C704 H632 Cl24 N128 O104 -","8","2","","Mee-Kyung Chung; Peter S. White; Stephen J. Lee; Marcey L. Waters; Michel R. Gagné","Self-Assembled Multi-Component Catenanes: Structural Insights into an Adaptable Class of Molecular Receptors and [2]-Catenanes","Journal of the American Chemical Society","2012","134","","11415","11429","10.1021/ja302345n","","","1.54184","MoKα","","0.0573","0.0482","","","0.1271","0.1313","","","","","","0.953","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4118275","8.4863","0.0009","10.2943","0.0008","15.4841","0.0014","90","","90","","90","","1352.7","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Br N O2 -","- C12 H20 Br N O2 -","- C48 H80 Br4 N4 O8 -","4","1","","Bryony S. Dyson; Jonathan W. Burton; Te-ik Sohn; Byungsook Kim; Hoon Bae; Deukjoon Kim","Total Synthesis and Structure Confirmation of Elatenyne: Success of Computational Methods for NMR Prediction with Highly Flexible Diastereomers","Journal of the American Chemical Society","2012","134","","11781","11790","10.1021/ja304554e","","","0.71075","MoKα","","","0.0323","","","","0.0881","","","","","","1.089","","","","has coordinates","178953","2020-10-21","18:00:00",""
"4118281","5.5639","0.0002","16.0755","0.0005","26.6196","0.0009","90","","90","","90","","2380.92","0.14","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 F4 N2 O4 -","- C20 H24 F4 N2 O4 -","- C80 H96 F16 N8 O16 -","4","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0905","0.0833","","","0.2438","0.2538","","","","","","1.118","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118284","5.5348","0.0001","15.9379","0.0003","26.45","0.0006","90","","90","","90","","2333.24","0.08","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 F5 N2 O5 -","- C21 H27 F5 N2 O5 -","- C84 H108 F20 N8 O20 -","4","1","","Christopher R. Jones; Pranjal K. Baruah; Amber L. Thompson; Steve Scheiner; Martin D. Smith","Can a C-H...O Interaction Be a Determinant of Conformation?","Journal of the American Chemical Society","2012","134","","12064","12071","10.1021/ja301318a","","","0.71073","MoKα","","0.0827","0.073","","","0.2019","0.2151","","","","","","1.025","","","","has coordinates,has disorder","178953","2020-10-21","18:00:00",""
"4118347","5.8806","0.0003","12.6232","0.0006","20.6562","0.0009","90","","90","","90","","1533.35","0.13","173.2","","173.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","John F. Briones; Huw M. L. Davies","Gold(I)-Catalyzed Asymmetric Cyclopropenation of Internal Alkynes","Journal of the American Chemical Society","2012","134","","11916","11919","10.1021/ja304506g","","","1.54184","CuKα","","0.0255","0.0254","","","0.0683","0.0684","","","","","","1.108","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118358","10.2581","0.0006","11.9822","0.0007","22.0451","0.0014","90","","90","","90","","2709.7","0.3","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H30 P2 -","- C33 H30 P2 -","- C132 H120 P8 -","4","1","","Masahiro Kamitani; Masumi Itazaki; Chihiro Tamiya; Hiroshi Nakazawa","Regioselective Double Hydrophosphination of Terminal Arylacetylenes Catalyzed by an Iron Complex","Journal of the American Chemical Society","2012","134","","11932","11935","10.1021/ja304818c","","","0.7107","MoKα","","0.053","0.0463","","","0.0854","0.0878","","","","","","1.118","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118360","5.2851","0.0001","11.5055","0.0003","42.054","0.003","90","","90","","90","","2557.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((2S,3S,4S,5S,6R)-3-acetoxy-4,5-bis(benzyloxy)-2-methoxy-2-oxido-1,2- oxaphosphinan-6-yl)methyl acetate","","- C24 H29 O9 P -","- C24 H29 O9 P -","- C96 H116 O36 P4 -","4","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.0836","0.0518","","","0.1029","0.1289","","","","","","1.152","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118363","9.1046","0.0005","12.9502","0.0006","30.533","0.002","90","","90","","90","","3600","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Triethylammonium (2R,3S,4S,5S,6R)-2-borane-3-acetoxy-4,5-bis(benzyloxy)-6- ((benzyloxy)methyl)-1,2-oxaphosphinan-2-olate","","- C34 H49 B N O7 P -","- C34 H49 B N O7 P -","- C136 H196 B4 N4 O28 P4 -","4","1","","Angélique Ferry; Xavier Guinchard; Pascal Retailleau; David Crich","Synthesis, Characterization, and Coupling Reactions of Six-Membered Cyclic P-Chiral Ammonium Phosphonite-Boranes; Reactive H-Phosphinate Equivalents for the Stereoselective Synthesis of Glycomimetics","Journal of the American Chemical Society","2012","134","","12289","12301","10.1021/ja305104b","","","1.54187","CuKα","","0.0841","0.0591","","","0.1314","0.152","","","","","","1.09","","","","has coordinates","178954","2020-10-21","18:00:00",""
"4118380","13.9419","0.0008","22.1802","0.0012","31.5865","0.0013","90","","90","","90","","9767.6","0.9","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","CS-10084","hartwig09","","- C100 H136 Cl F6 Ir N2 O10 P2 -","- C100 H136 Cl F6 Ir N2 O10 P2 -","- C400 H544 Cl4 F24 Ir4 N8 O40 P8 -","4","1","","Christo S. Sevov; Jianrong (Steve) Zhou; John F. Hartwig","Iridium-Catalyzed Intermolecular Hydroamination of Unactivated Aliphatic Alkenes with Amides and Sulfonamides","Journal of the American Chemical Society","2012","134","","11960","11963","10.1021/ja3052848","","","0.71073","MoKα","","0.0736","0.057","","","0.1076","0.1141","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118383","9.951","0.002","11.461","0.002","15.275","0.003","90","","90","","90","","1742.1","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 -","- C18 H28 N2 -","- C72 H112 N8 -","4","1","","Shaoguang Zhang; Junnian Wei; Ming Zhan; Qian Luo; Chao Wang; Wen-Xiong Zhang; Zhenfeng Xi","2,6-Diazasemibullvalenes: Synthesis, Structural Characterization, Reaction Chemistry, and Theoretical Analysis","Journal of the American Chemical Society","2012","134","","11964","11967","10.1021/ja305581f","","","0.71073","MoKα","","0.3409","0.0859","","","0.1055","0.1211","","","","","","0.876","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118398","8.082","0.003","15.462","0.006","25.416","0.011","90","","90","","90","","3176","2","93.15","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 Cl6 O5 P S -","- C28 H25 Cl6 O5 P S -","- C112 H100 Cl24 O20 P4 S4 -","4","1","","Akifumi Nakamura; Takeharu Kageyama; Hiroki Goto; Brad P. Carrow; Shingo Ito; Kyoko Nozaki","P-Chiral Phosphine-Sulfonate/Palladium-Catalyzed Asymmetric Copolymerization of Vinyl Acetate with Carbon Monoxide","Journal of the American Chemical Society","2012","134","","12366","12369","10.1021/ja3044344","","","0.71075","MoKα","","0.0891","0.0753","","","0.1627","0.1736","","","","","","1.096","","","","has coordinates,has disorder","178954","2020-10-21","18:00:00",""
"4118415","7.136","0.0015","9.2544","0.0019","19.013","0.004","90","","90","","90","","1255.6","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","1","","Dixit Parmar; Hiroshi Matsubara; Kieran Price; Malcolm Spain; David J. Procter","Lactone Radical Cyclizations and Cyclization Cascades Mediated by SmI2-H2O","Journal of the American Chemical Society","2012","134","","12751","12757","10.1021/ja3047975","","","0.71073","MoKα","","0.0493","0.0451","","","0.1123","0.1144","","","","","","1.093","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118426","4.619","0.0002","18.6734","0.0006","35.2274","0.001","90","","90","","90","","3038.45","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Br O2 -","- C15 H17 Br O2 -","- C120 H136 Br8 O16 -","8","2","","R. Kashif M. Khan; Robert V. O'Brien; Sebastian Torker; Bo Li; Amir H. Hoveyda","Z- and Enantioselective Ring-Opening/Cross-Metathesis with Enol Ethers Catalyzed by Stereogenic-at-Ru Carbenes: Reactivity, Selectivity, and Curtin-Hammett Kinetics","Journal of the American Chemical Society","2012","134","","12774","12779","10.1021/ja304827a","","","1.54178","CuKα","","0.0459","0.0377","","","0.0831","0.086","","","","","","1.023","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118429","10.4852","0.0009","13.3205","0.0011","17.2875","0.0017","90","","90","","90","","2414.5","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl2 N O2 -","- C26 H31 Cl2 N O2 -","- C104 H124 Cl8 N4 O8 -","4","1","","Brian S. Lucas; Benjamin Fisher; Lawrence R. McGee; Steven H. Olson; Julio C. Medina; Eugene Cheung","An Expeditious Synthesis of the MDM2-p53 Inhibitor AM-8553","Journal of the American Chemical Society","2012","134","","12855","12860","10.1021/ja305123v","","","1.54178","CuKα","","0.0835","0.0664","","","0.1672","0.1817","","","","","","1.044","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118438","8.6537","0.0012","12.5475","0.0017","25.388","0.003","90","","90","","90","","2756.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Cl2 O6 -","- C31 H32 Cl2 O6 -","- C124 H128 Cl8 O24 -","4","1","","Chao Li; Longyang Dian; Weidong Zhang; Xiaoguang Lei","Biomimetic Syntheses of (-)-Gochnatiolides A-C and (-)-Ainsliadimer B","Journal of the American Chemical Society","2012","134","","12414","12417","10.1021/ja305464s","","","1.54186","CuKα","","0.108","0.0939","","","0.2337","0.2492","","","","","","1.109","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118442","8.1378","0.0007","12.5293","0.001","30.853","0.003","90","","90","","90","","3145.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 O2 Si2 -","- C30 H54 O2 Si2 -","- C120 H216 O8 Si8 -","4","1","","Margaret A. Greene; Michel Prévost; Joshua Tolopilo; K. A. Woerpel","Diastereoselective Synthesis of Seven-Membered-Ring trans-Alkenes from Dienes and Aldehydes by Silylene Transfer","Journal of the American Chemical Society","2012","134","","12482","12484","10.1021/ja305713v","","","0.71073","MoKα","","0.0285","0.0269","","","0.0684","0.0694","","","","","","1.11","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118470","11.574","0.009","12.767","0.01","16.533","0.014","90","","90","","90","","2443","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H32 Fe2 O4 P2 S2 -","- C17 H32 Fe2 O4 P2 S2 -","- C68 H128 Fe8 O16 P8 S8 -","4","1","","Chung-Hung Hsieh; Özlen F. Erdem; Scott D. Harman; Michael L. Singleton; Edward Reijerse; Wolfgang Lubitz; Codrina V. Popescu; Joseph H. Reibenspies; Scott M. Brothers; Michael B. Hall; Marcetta Y. Darensbourg","Structural and Spectroscopic Features of Mixed Valent FeIIFeI Complexes and Factors Related to the Rotated Configuration of Diiron Hydrogenase","Journal of the American Chemical Society","2012","134","","13089","13102","10.1021/ja304866r","","","0.71073","MoKα","","0.0641","0.0427","","","0.1002","0.1181","","","","","","0.954","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118474","5.9788","0.0003","15.7539","0.0009","17.1082","0.001","90","","90","","90","","1611.41","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl N2 O3 -","- C15 H21 Cl N2 O3 -","- C60 H84 Cl4 N8 O12 -","4","1","","Ana Crespo-Peña; David Monge; Eloísa Martín-Zamora; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Asymmetric Formal Carbonyl-Ene Reactions of Formaldehyde tert-Butyl Hydrazone with α-Keto Esters: Dual Activation by Bis-urea Catalysts","Journal of the American Chemical Society","2012","134","","12912","12915","10.1021/ja305209w","","","0.71073","MoKα","","0.0463","0.0409","","","0.106","0.1117","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118478","6.3478","0.0002","12.4544","0.0004","30.1079","0.001","90","","90","","90","","2380.27","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 O8 -","- C28 H28 O8 -","- C112 H112 O32 -","4","1","","Neil J. Lajkiewicz; Stéphane P. Roche; Baudouin Gerard; John A. Porco","Enantioselective Photocycloaddition of 3-Hydroxyflavones: Total Syntheses and Absolute Configuration Assignments of (+)-Ponapensin and (+)-Elliptifoline","Journal of the American Chemical Society","2012","134","","13108","13113","10.1021/ja305342f","","","1.54178","CuKα","","0.0238","0.0237","","","0.0613","0.0614","","","","","","1.036","","","","has coordinates,has disorder","178955","2020-10-21","18:00:00",""
"4118486","16.273","0.002","17.888","0.002","19.236","0.002","90","","90","","90","","5599.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H56 N6 O6 P2 -","- C64 H56 N6 O6 P2 -","- C256 H224 N24 O24 P8 -","4","1","","Moira Ciardi; Francesca Tancini; Guzmán Gil-Ramírez; Eduardo C. Escudero Adán; Chiara Massera; Enrico Dalcanale; Pablo Ballester","Switching from Separated to Contact Ion-Pair Binding Modes with Diastereomeric Calix[4]pyrrole Bis-phosphonate Receptors","Journal of the American Chemical Society","2012","134","","13121","13132","10.1021/ja305684m","","","0.71069","MoKα","","0.1939","0.0808","","","0.1945","0.2524","","","","","","0.993","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118496","10.9824","0.0004","15.9803","0.0007","18.9154","0.0008","90","","90","","90","","3319.7","0.2","100","1","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H41 Cl N2 O5 S Si -","- C33 H41 Cl N2 O5 S Si -","- C132 H164 Cl4 N8 O20 S4 Si4 -","4","1","","Kim Søholm Halskov; Tore Kiilerich Johansen; Rebecca L. Davis; Marianne Steurer; Frank Jensen; Karl Anker Jørgensen","Cross-trienamines in Asymmetric Organocatalysis","Journal of the American Chemical Society","2012","134","","12943","12946","10.1021/ja3068269","","","0.71073","MoKα","","0.0305","0.0281","","","0.0707","0.0722","","","","","","1.04","","","","has coordinates","178955","2020-10-21","18:00:00",""
"4118516","11.749","0.003","23.17","0.005","27.499","0.005","90","","90","","90","","7486","3","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 Cl2 Fe N3 O2 -","- C36 H34 Cl2 Fe N3 O2 -","- C288 H272 Cl16 Fe8 N24 O16 -","8","2","","Takashi Niwa; Masahisa Nakada","A Non-Heme Iron(III) Complex with Porphyrin-like Properties That Catalyzes Asymmetric Epoxidation","Journal of the American Chemical Society","2012","134","","13538","13541","10.1021/ja304219s","","","0.71075","MoKα","","","0.0766","","","","0.2484","","","","","","1.069","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118517","7.0393","0.0003","10.7218","0.0004","17.8586","0.0007","90","","90","","90","","1347.86","0.09","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br O4 -","- C14 H13 Br O4 -","- C56 H52 Br4 O16 -","4","1","","David M. Rubush; Michelle A. Morges; Barbara J. Rose; Douglas H. Thamm; Tomislav Rovis","An Asymmetric Synthesis of 1,2,4-Trioxane Anticancer Agents via Desymmetrization of Peroxyquinols through a Brønsted Acid Catalysis Cascade","Journal of the American Chemical Society","2012","134","","13554","13557","10.1021/ja3052427","","","0.71073","MoKα","","0.0493","0.0318","","","0.0548","0.0709","","","","","","1.096","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118527","8.0766","0.0006","8.8227","0.0007","32.654","0.003","90","","90","","90","","2326.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N6 O2.5 S -","- C9 H13 N6 O2.5 S -","- C72 H104 N48 O20 S8 -","8","2","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.03","0.0278","","","0.0683","0.0698","","","","","","1.039","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118532","6.9855","0.0002","9.2101","0.0003","18.4318","0.0006","90","","90","","90","","1185.85","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N4 O2 S2 -","- C9 H12 N4 O2 S2 -","- C36 H48 N16 O8 S8 -","4","1","","Powner, Matthew W.; Zheng, Shao-Liang; Szostak, Jack W.","Multicomponent Assembly of Proposed DNA Precursors in Water","Journal of the American Chemical Society","2012","134","33","13889","13895","10.1021/ja306176n","","","0.71073","MoKα","","0.0232","0.0222","","","0.0574","0.0582","","","","","","1.041","","","","has coordinates","210883","2020-10-21","18:00:00",""
"4118543","12.0233","0.0011","12.6775","0.0012","35.975","0.004","90","","90","","90","","5483.5","0.9","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","RG3009","","","- C36 H52 F12 N2 O10 Pd3 -","- C36 H52 F12 N2 O10 Pd3 -","- C144 H208 F48 N8 O40 Pd12 -","4","1","","Ramesh Giri; Yu Lan; Peng Liu; K. N. Houk; Jin-Quan Yu","Understanding Reactivity and Stereoselectivity in Palladium-Catalyzed Diastereoselective sp3 C-H Bond Activation: Intermediate Characterization and Computational Studies","Journal of the American Chemical Society","2012","134","","14118","14126","10.1021/ja304643e","","","0.71073","MoKα","","0.0791","0.053","","","0.1517","0.1687","","","","","","1.025","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4118580","6.4097","0.0011","8.1406","0.0013","27.146","0.004","90","","90","","90","","1416.4","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Br N O2 -","- C16 H16 Br N O2 -","- C64 H64 Br4 N4 O8 -","4","1","","Javier Francos; Francisca Grande-Carmona; Hélio Faustino; Javier Iglesias-Sigüenza; Elena Díez; Isaac Alonso; Rosario Fernández; José M. Lassaletta; Fernando López; José L. Mascareñas","Axially Chiral Triazoloisoquinolin-3-ylidene Ligands in Gold(I)-Catalyzed Asymmetric Intermolecular (4 + 2) Cycloadditions of Allenamides and Dienes","Journal of the American Chemical Society","2012","134","","14322","14325","10.1021/ja3065446","","x-ray","0.7107","MoKα","","0.0311","0.0249","","","0.0512","0.0535","","","","","","1.008","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118581","5.76968","0.00013","12.3217","0.0003","26.6953","0.0006","90","","90","","90","","1897.83","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 I N O2 -","- C18 H16 Br2 I N O2 -","- C72 H64 Br8 I4 N4 O8 -","4","1","","Fengtao Zhou; Jiajia Guo; Jianguang Liu; Ke Ding; Shouyun Yu; Qian Cai","Copper-Catalyzed Desymmetric Intramolecular Ullmann C-N Coupling: An Enantioselective Preparation of Indolines","Journal of the American Chemical Society","2012","134","","14326","14329","10.1021/ja306631z","","","1.54184","CuKα","","0.0695","0.0682","","","0.1542","0.1567","","","","","","1.123","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118592","8.3972","0.0006","17.4245","0.0012","24.1671","0.0016","90","","90","","90","","3536.1","0.4","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 Cl N O2 P Rh -","- C41 H44 Cl N O2 P Rh -","- C164 H176 Cl4 N4 O8 P4 Rh4 -","4","1","","Max von Delius; Christine M. Le; Vy M. Dong","Rhodium-Phosphoramidite Catalyzed Alkene Hydroacylation: Mechanism and Octaketide Natural Product Synthesis","Journal of the American Chemical Society","2012","134","","15022","15032","10.1021/ja305593y","","","0.71073","MoKα","","0.0373","0.0305","","","0.0609","0.0632","","","","","","1.009","","","","has coordinates","178956","2020-10-21","18:00:00",""
"4118606","10.6246","0.0003","11.5766","0.0003","33.387","0.002","90","","90","","90","","4106.5","0.3","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,4aR,5aS,9aR,10R,10aR)-10-(benzyloxy)-7-methylene-2-phenyloctahydro -4H-pyrano[2',3':5,6]pyrano[3,2-d][1,3]dioxine","","- C24 H26 O5 -","- C24 H26 O5 -","- C192 H208 O40 -","8","2","","Min Huang; Pascal Retailleau; Luis Bohé; David Crich","Cation Clock Permits Distinction Between the Mechanisms of α- and β-O- and β-C-Glycosylation in the Mannopyranose Series: Evidence for the Existence of a Mannopyranosyl Oxocarbenium Ion","Journal of the American Chemical Society","2012","134","","14746","14749","10.1021/ja307266n","","","1.54187","CuKα","","0.0652","0.0401","","","0.0889","0.1178","","","","","","1.132","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118611","7.5455","0.0003","14.4979","0.0006","17.2744","0.0008","90","","90","","90","","1889.71","0.14","100","","100","","","","","","","","dichloromethane/hexane","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 S -","- C22 H25 N O2 S -","- C88 H100 N4 O8 S4 -","4","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54178","Cu-Kα","","0.0269","0.0266","","","0.0679","0.0681","","","","","","1.092","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118612","5.2727","0.0003","8.7836","0.0004","28.3603","0.0013","90","","90","","90","","1313.46","0.11","100","","100","","","","","","","","dichloromethane,hexane","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O2 S -","- C13 H14 Br N O2 S -","- C52 H56 Br4 N4 O8 S4 -","4","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","1.54184","Cu-Kα","","0.0196","0.0196","","","0.0491","0.0491","","","","","","1.129","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118617","11.3398","0.0015","20.632","0.003","24.048","0.003","90","","90","","90","","5626.3","1.3","100","","100","","","","","","","","hexane","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 Au Cl N O4 P -","- C62 H78 Au Cl N O4 P -","- C248 H312 Au4 Cl4 N4 O16 P4 -","4","1","","Henrik Teller; Matthieu Corbet; Luca Mantilli; Gopinadhanpillai Gopakumar; Richard Goddard; Walter Thiel; Alois Fürstner","One-Point Binding Ligands for Asymmetric Gold Catalysis: Phosphoramidites with a TADDOL-Related but Acyclic Backbone","Journal of the American Chemical Society","2012","134","","15331","15342","10.1021/ja303641p","","","0.71073","Mo-Kα","","0.0895","0.0446","","","0.0832","0.1004","","","","","","1.048","","","","has coordinates,has disorder","178957","2020-10-21","18:00:00",""
"4118637","5.7202","0.0002","14.8351","0.0006","26.7155","0.0011","90","","90","","90","","2267.07","0.15","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 O3 -","- C27 H30 O3 -","- C108 H120 O12 -","4","1","","Zhanjie Li; Vyacheslav Boyarskikh; Jørn H. Hansen; Jochen Autschbach; Djamaladdin G. Musaev; Huw M. L. Davies","Scope and Mechanistic Analysis of the Enantioselective Synthesis of Allenes by Rhodium-Catalyzed Tandem Ylide Formation/[2,3]-Sigmatropic Rearrangement between Donor/Acceptor Carbenoids and Propargylic Alcohols","Journal of the American Chemical Society","2012","134","","15497","15504","10.1021/ja3061529","","","1.54178","CuKα","","0.0305","0.0298","","","0.0754","0.0761","","","","","","1.042","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118655","9.7456","0.0002","13.1143","0.0003","14.3524","0.0004","90","","90","","90","","1834.33","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl Cr N6 O6 -","- C12 H28 Cl Cr N6 O6 -","- C48 H112 Cl4 Cr4 N24 O24 -","4","1","","Atsutoshi Yokoyama; Jung Eun Han; Jaeheung Cho; Minoru Kubo; Takashi Ogura; Maxime A. Siegler; Kenneth D. Karlin; Wonwoo Nam","Chromium(IV)-Peroxo Complex Formation and Its Nitric Oxide Dioxygenase Reactivity","Journal of the American Chemical Society","2012","134","","15269","15272","10.1021/ja307384e","","","0.71073","MoKα","","0.0471","0.0402","","","0.1137","0.12","","","","","","0.853","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118658","9.7615","0.0003","13.4772","0.0005","29.0572","0.0013","90","","90","","90","","3822.7","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H63 Cl N2 Pd -","- C35 H51 Cl N2 Pd -","- C140 H204 Cl4 N8 Pd4 -","4","1","","Patrick S. Hanley; Seth L. Marquard; Thomas R. Cundari; John F. Hartwig","Reductive Elimination of Alkylamines from Low-Valent, Alkylpalladium(II) Amido Complexes","Journal of the American Chemical Society","2012","134","","15281","15284","10.1021/ja307558x","","","1.54178","CuKα","","0.0694","0.0586","","","0.1453","0.154","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4118681","10.7229","0.0002","16.273","0.0003","16.3219","0.0003","90","","90","","90","","2848.07","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 N Ti -","- C32 H47 N Ti -","- C128 H188 N4 Ti4 -","4","1","","Martin Haehnel; Martin Ruhmann; Oliver Theilmann; Subhendu Roy; Torsten Beweries; Perdita Arndt; Anke Spannenberg; Alexander Villinger; Eluvathingal D. Jemmis; Axel Schulz; Uwe Rosenthal","Reactions of Titanocene Bis(trimethylsilyl)acetylene Complexes with Carbodiimides: An Experimental and Theoretical Study of Complexation versus C-N Bond Activation","Journal of the American Chemical Society","2012","134","","15979","15991","10.1021/ja3070649","","","0.71073","MoKα","","0.0384","0.0348","","","0.0928","0.0955","","","","","","1.056","","","","has coordinates","178957","2020-10-21","18:00:00",""
"4118706","9.251","0.0013","10.0419","0.0015","15.538","0.002","90","","90","","90","","1443.4","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Christian Clavette; Wei Gan; Amanda Bongers; Thomas Markiewicz; Amy B. Toderian; Serge I. Gorelsky; André M. Beauchemin","A Tunable Route for the Synthesis of Azomethine Imines and β-Aminocarbonyl Compounds from Alkenes","Journal of the American Chemical Society","2012","134","","16111","16114","10.1021/ja305491t","","","0.71073","MoKα","","0.0573","0.0444","","","0.0972","0.1024","","","","","","1.017","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118729","5.8813","0.0002","7.4818","0.0002","27.4863","0.0007","90","","90","","90","","1209.47","0.06","123","","123","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br2 -","- C14 H10 Br2 -","- C56 H40 Br8 -","4","1","","Michael Linseis; Stanislav Záliš; Manfred Zabel; Rainer F. Winter","Ruthenium Stilbenyl and Diruthenium Distyrylethene Complexes: Aspects of Electron Delocalization and Electrocatalyzed Isomerization of the Z-Isomer","Journal of the American Chemical Society","2012","134","","16671","16692","10.1021/ja3059606","","x-ray","1.54184","CuKα","","0.0363","0.0273","","","0.0517","0.0529","","","","","","0.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118734","7.6774","0.0003","28.5135","0.001","6.5884","0.0002","90","","90","","90","","1442.26","0.09","100","","100","","","","","","","","dichloromethane,ethanole","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F Si -","- C17 H17 F Si -","- C68 H68 F4 Si4 -","4","1","","Javier Carreras; Mahendra Patil; Walter Thiel; Manuel Alcarazo","Exploiting the π-Acceptor Properties of Carbene-Stabilized Phosphorus Centered Trications [L3P]3+: Applications in Pt(II) Catalysis","Journal of the American Chemical Society","2012","134","","16753","16758","10.1021/ja306947m","","","1.54184","Cu-Kα","","0.0871","0.0868","","","0.1966","0.1967","","","","","","1.212","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118768","7.31328","0.00017","13.5237","0.0003","19.3724","0.0004","90","","90","","90","","1915.98","0.07","93.1","","93","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O Si -","- C23 H24 O Si -","- C92 H96 O4 Si4 -","4","1","","Ryo Shintani; Eleanor E. Maciver; Fumiko Tamakuni; Tamio Hayashi","Rhodium-Catalyzed Asymmetric Synthesis of Silicon-Stereogenic Dibenzooxasilines via Enantioselective Transmetalation","Journal of the American Chemical Society","2012","134","","16955","16958","10.1021/ja3076555","","","1.54187","CuKα","","","0.057","","","","0.1199","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118774","11.431","0.002","15.283","0.003","24.648","0.005","90","","90","","90","","4306","1.4","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H60 B2 O5 Yb -","- C44 H60 B2 O5 Yb -","- C176 H240 B8 O20 Yb4 -","4","1","","Sebastian Marks; Joachim G. Heck; Marija H. Habicht; Pascual Oña-Burgos; Claus Feldmann; Peter W. Roesky","[Ln(BH4)2(THF)2] (Ln = Eu, Yb)-A Highly Luminescent Material. Synthesis, Properties, Reactivity, and NMR Studies","Journal of the American Chemical Society","2012","134","","16983","16986","10.1021/ja308077t","","","0.71073","MoKα","","0.0387","0.0302","","","0.0581","0.0594","","","","","","0.891","","","","has coordinates,has disorder","178958","2020-10-21","18:00:00",""
"4118780","6.2177","0.0004","12.0255","0.0007","19.413","0.0011","90","","90","","90","","1451.53","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F2 N O2 S -","- C15 H15 F2 N O2 S -","- C60 H60 F8 N4 O8 S4 -","4","1","","Xiao Shen; Wei Zhang; Chuanfa Ni; Yucheng Gu; Jinbo Hu","Tuning the Reactivity of Difluoromethyl Sulfoximines from Electrophilic to Nucleophilic: Stereoselective Nucleophilic Difluoromethylation of Aryl Ketones","Journal of the American Chemical Society","2012","134","","16999","17002","10.1021/ja308419a","","","0.71073","MoKα","","0.0313","0.0295","","","0.0761","0.0776","","","","","","1.038","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118781","5.9675","0.0012","10.996","0.002","22.753","0.005","90","","90","","90","","1493","0.5","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br F2 N O2 S -","- C14 H12 Br F2 N O2 S -","- C56 H48 Br4 F8 N4 O8 S4 -","4","1","","Xiao Shen; Wei Zhang; Chuanfa Ni; Yucheng Gu; Jinbo Hu","Tuning the Reactivity of Difluoromethyl Sulfoximines from Electrophilic to Nucleophilic: Stereoselective Nucleophilic Difluoromethylation of Aryl Ketones","Journal of the American Chemical Society","2012","134","","16999","17002","10.1021/ja308419a","","","1.54178","CuKα","","0.0337","0.0333","","","0.0901","0.0905","","","","","","1.052","","","","has coordinates","178958","2020-10-21","18:00:00",""
"4118810","11.1756","0.0003","12.7568","0.0003","14.323","0.0007","90","","90","","90","","2041.96","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 Au Cl P S -","- C18 H31 Au Cl P S -","- C72 H124 Au4 Cl4 P4 S4 -","4","1","","Yingdong Luo; Kegong Ji; Yuxue Li; Liming Zhang","Tempering the Reactivities of Postulated α-Oxo Gold Carbenes Using Bidentate Ligands: Implication of Tricoordinated Gold Intermediates and the Development of an Expedient Bimolecular Assembly of 2,4-Disubstituted Oxazoles","Journal of the American Chemical Society","2012","134","","17412","17415","10.1021/ja307948m","","","0.71073","MoKα","","0.0253","0.0229","","","0.0491","0.0497","","","","","","1.022","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118827","11.4943","0.0002","12.2951","0.0002","16.956","0.0003","90","","90","","90","","2396.28","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 N3 O3 -","- C25 H39 N3 O3 -","- C100 H156 N12 O12 -","4","1","","Pavol Jakubec; Alison Hawkins; Wolfgang Felzmann; Darren J. Dixon","Total Synthesis of Manzamine A and Related Alkaloids","Journal of the American Chemical Society","2012","134","","17482","17485","10.1021/ja308826x","","","0.71073","MoKα","","0.0786","0.0476","","0.1408","0.1088","0.1408","","","","","","0.9183","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118867","5.91759","0.00003","11.50337","0.00005","24.58172","0.00011","90","","90","","90","","1673.33","0.013","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C72 H76 N12 O12 -","4","1","","Daniel Best; Szymon Kujawa; Hon Wai Lam","Diastereo- and Enantioselective Pd(II)-Catalyzed Additions of 2-Alkylazaarenes to N-Boc Imines and Nitroalkenes","Journal of the American Chemical Society","2012","134","","18193","18196","10.1021/ja3083494","","","1.54184","CuKα","","0.0246","0.0245","","","0.0671","0.0672","","","","","","1.042","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118869","7.2946","0.0003","13.3574","0.0005","22.0331","0.0009","90","","90","","90","","2146.84","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 O4 Si -","- C21 H36 O4 Si -","- C84 H144 O16 Si4 -","4","1","","Jie Wu; Yi Pu; James S. Panek","Divergent Synthesis of Functionalized Carbocycles through Organosilane-Directed Asymmetric Alkyne-Alkene Reductive Coupling and Annulation Sequence","Journal of the American Chemical Society","2012","134","","18440","18446","10.1021/ja3083945","","","1.54184","CuKα","","0.0477","0.0394","","","0.0957","0.1","","","","","","1.025","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118873","9.0651","0.0002","20.1439","0.0004","27.5076","0.0005","90","","90","","90","","5023.07","0.17","173.2","","173.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O3 Si2 -","- C22 H38 O3 Si2 -","- C176 H304 O24 Si16 -","8","2","","Austin G. Smith; Huw M. L. Davies","Rhodium-Catalyzed Enantioselective Vinylogous Addition of Enol Ethers to Vinyldiazoacetates","Journal of the American Chemical Society","2012","134","","18241","18244","10.1021/ja3092399","","","1.54184","CuKα","","0.0312","0.0301","","","0.0762","0.077","","","","","","1.081","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118876","9.8729","0.0019","19.708","0.004","19.941","0.004","90","","90","","90","","3880","1.3","100","2","100","2","","","101.3","","","","","5","P 21 21 21","P 2ac 2ab","19","tert-butyl-acylimido Vanadium trisanilide","tris(3,5-dimethylphenyl(tertbutyl)amido)-(tertbutylacylimido)-Vanadium(V)","","- C41 H63 N4 O V -","- C41 H63 N4 O V -","- C164 H252 N16 O4 V4 -","4","1","","Anthony F. Cozzolino; Daniel Tofan; Christopher C. Cummins; Manuel Temprado; Taryn D. Palluccio; Elena V. Rybak-Akimova; Subhojit Majumdar; Xiaochen Cai; Burjor Captain; Carl D. Hoff","Two-Step Binding of O2 to a Vanadium(III) Trisanilide Complex To Form a Non-Vanadyl Vanadium(V) Peroxo Complex","Journal of the American Chemical Society","2012","134","","18249","18252","10.1021/ja309621h","","x-ray","0.71073","MoKα","","0.0799","0.0622","","","0.1143","0.1211","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4118885","7.705","0.003","13.954","0.005","19.299","0.007","90","","90","","90","","2074.9","1.3","103.15","","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 Ru Si2 -","- C17 H24 O4 Ru Si2 -","- C68 H96 O16 Ru4 Si8 -","4","1","","Kohei Takahashi; Makoto Yamashita; Kyoko Nozaki","Tandem Hydroformylation/Hydrogenation of Alkenes to Normal Alcohols Using Rh/Ru Dual Catalyst or Ru Single Component Catalyst","Journal of the American Chemical Society","2012","134","","18746","18757","10.1021/ja307998h","","","0.7107","MoKα","","0.0409","0.037","","","0.0804","0.084","","","","","","1.092","","","","has coordinates","178959","2020-10-21","18:00:00",""
"4118907","5.496","0.002","13.106","0.005","19.157","0.008","90","","90","","90","","1379.9","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 S -","- C14 H18 O3 S -","- C56 H72 O12 S4 -","4","1","","Mahiuddin Baidya; Kimberly A. Griffin; Hisashi Yamamoto","Catalytic Enantioselective O-Nitrosocarbonyl Aldol Reaction of β-Dicarbonyl Compounds","Journal of the American Chemical Society","2012","134","","18566","18569","10.1021/ja309311z","","","0.71073","MoKα","","0.0831","0.0546","","","0.0787","0.0848","","","","","","0.845","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118924","10.0039","0.0019","12.557","0.003","29.038","0.006","90","","90","","90","","3647.7","1.3","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Cl2 Ir2 N4 -","- C44 H32 Cl2 Ir2 N4 -","- C176 H128 Cl8 Ir8 N16 -","4","1","","Oleg Chepelin; Jakub Ujma; Xiaohua Wu; Alexandra M. Z. Slawin; Mateusz B. Pitak; Simon J. Coles; Julien Michel; Anita C. Jones; Perdita E. Barran; Paul J. Lusby","Luminescent, Enantiopure, Phenylatopyridine Iridium-Based Coordination Capsules","Journal of the American Chemical Society","2012","134","","19334","19337","10.1021/ja309031h","","","0.71075","MoKα","","","0.0255","","","","0.0537","","","","","","0.939","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118925","9.9782","0.0017","12.56","0.002","29.008","0.005","90","","90","","90","","3635.5","1.1","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 Cl2 Ir2 N4 -","- C44 H32 Cl2 Ir2 N4 -","- C176 H128 Cl8 Ir8 N16 -","4","1","","Oleg Chepelin; Jakub Ujma; Xiaohua Wu; Alexandra M. Z. Slawin; Mateusz B. Pitak; Simon J. Coles; Julien Michel; Anita C. Jones; Perdita E. Barran; Paul J. Lusby","Luminescent, Enantiopure, Phenylatopyridine Iridium-Based Coordination Capsules","Journal of the American Chemical Society","2012","134","","19334","19337","10.1021/ja309031h","","","0.71075","MoKα","","","0.0314","","","","0.0752","","","","","","0.996","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118933","10.5187","0.0011","13.024","0.0014","16.1258","0.0017","90","","90","","90","","2209.2","0.4","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N2 O4 P -","- C24 H25 N2 O4 P -","- C96 H100 N8 O16 P4 -","4","1","","Masashi Hayashi; Noriyuki Shiomi; Yasuhiro Funahashi; Shuichi Nakamura","Cinchona Alkaloid Amides/Dialkylzinc Catalyzed Enantioselective Desymmetrization of Aziridines with Phosphites","Journal of the American Chemical Society","2012","134","","19366","19369","10.1021/ja309963w","","","0.7107","MoKα","","","0.0321","","","","0.0972","","","","","","1.016","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118934","10.008","0.003","10.996","0.003","30.926","0.01","90","","90","","90","","3403.3","1.8","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 Cl N2 O6 -","- C38 H39 Cl N2 O6 -","- C152 H156 Cl4 N8 O24 -","4","1","","Daisuke Uraguchi; Ken Yoshioka; Yusuke Ueki; Takashi Ooi","Highly Regio-, Diastereo-, and Enantioselective 1,6- and 1,8-Additions of Azlactones to Di- and Trienyl N-Acylpyrroles","Journal of the American Chemical Society","2012","134","","19370","19373","10.1021/ja310209g","","","0.71075","MoKα","","0.0927","0.0667","","","0.1619","0.1871","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4118958","13.7048","0.0007","18.8549","0.001","29.2118","0.0014","90","","90","","90","","7548.4","0.7","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","TEA[MoTp*(O)(S2BMOPP)]","","","- C45 H67 B Cl18 Mo N12 O4 S2 -","- C39 H61 B Mo N12 O4 S2 -","- C156 H244 B4 Mo4 N48 O16 S8 -","4","1","","Benjamin R. Williams; Yichun Fu; Glenn P. A. Yap; Sharon J. Nieter Burgmayer","Structure and Reversible Pyran Formation in Molybdenum Pyranopterin Dithiolene Models of the Molybdenum Cofactor","Journal of the American Chemical Society","2012","134","","19584","19587","10.1021/ja310018e","","","1.54178","CuKα","","0.1081","0.0666","","","0.1241","0.1334","","","","","","1.058","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118973","8.6168","0.0006","20.6232","0.0014","20.7353","0.0014","90","","90","","90","","3684.8","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H59 Br N O P Pd -","- C39 H59 Br N O P Pd -","- C156 H236 Br4 N4 O4 P4 Pd4 -","4","1","","Phillip J. Milner; Thomas J. Maimone; Mingjuan Su; Jiahao Chen; Peter Müller; Stephen L. Buchwald","Investigating the Dearomative Rearrangement of Biaryl Phosphine-Ligated Pd(II) Complexes","Journal of the American Chemical Society","2012","134","","19922","19934","10.1021/ja310351e","","","0.71073","MoKα","","0.0181","0.0172","","","0.0422","0.0425","","","","","","1.034","","","","has coordinates,has disorder","178960","2020-10-21","18:00:00",""
"4118998","5.22","0.002","12.634","0.005","24.533","0.01","90","","90","","90","","1617.9","1.1","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.1939","0.0776","","","0.0984","0.1347","","","","","","0.994","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4118999","7.803","0.002","8.447","0.002","15.916","0.004","90","","90","","90","","1049.1","0.5","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.0662","0.0515","","","0.1188","0.1272","","","","","","1.029","","","","has coordinates","178960","2020-10-21","18:00:00",""
"4119001","6.391","0.001","12.075","0.002","18.79","0.002","90","","90","","90","","1450","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C68 H104 O8 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.1015","0.0768","","","0.1173","0.1259","","","","","","1.081","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119002","6.855","0.003","11.073","0.005","18.409","0.008","90","","90","","90","","1397.3","1.1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O2 -","- C17 H26 O2 -","- C68 H104 O8 -","4","1","","Tao Xu; Haye Min Ko; Nikolas A. Savage; Guangbin Dong","Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings","Journal of the American Chemical Society","2012","134","","20005","20008","10.1021/ja309978c","","","0.71075","MoKα","","0.2127","0.0824","","","0.1461","0.1822","","","","","","0.963","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119003","8.059","0.004","12.224","0.005","15.477","0.007","90","","90","","90","","1524.7","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Lijun Zhou; Zhiming Li; Yue Zou; Quanrui Wang; Italo A. Sanhueza; Franziska Schoenebeck; Andreas Goeke","Tandem Nucleophilic Addition/Oxy-2-azonia-Cope Rearrangement for the Formation of Homoallylic Amides and Lactams: Total Synthesis and Structural Verification of Motuporamine G","Journal of the American Chemical Society","2012","134","","20009","20012","10.1021/ja310002m","","","0.71073","MoKα","","0.0474","0.0412","","","0.1011","0.1041","","","","","","0.996","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119007","6.7451","0.0013","14.825","0.003","16.546","0.004","90","","90","","90","","1654.5","0.6","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl2 N O3 -","- C18 H13 Cl2 N O3 -","- C72 H52 Cl8 N4 O12 -","4","1","","Takuya Oguma; Tsutomu Katsuki","Iron-Catalyzed Dioxygen-Driven C-C Bond Formation: Oxidative Dearomatization of 2-Naphthols with Construction of a Chiral Quaternary Stereocenter","Journal of the American Chemical Society","2012","134","","20017","20020","10.1021/ja310203c","","","0.71075","MoKα","","","0.0828","","","","0.1627","","","","","","1.099","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119010","5.1753","0.0009","8.4468","0.0011","30.485","0.005","90","","90","","90","","1332.6","0.4","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C52 H72 Br4 N4 O8 -","4","1","","Mi Jung Kim; Te-ik Sohn; Deukjoon Kim; Robert S. Paton","Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxabicyclic Marine Natural Products with 2,10-Dioxabicyclo-[7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons","Journal of the American Chemical Society","2012","134","","20178","20188","10.1021/ja310249u","","","0.71075","MoKα","","","0.0336","","","","0.092","","","","","","1.121","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119052","5.5785","0.0006","8.5311","0.0007","15.4048","0.0011","90","","90","","90","","733.13","0.11","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","silver 1,3-di(nitroimide)-1,2,3-triazolate","silver 1,3-di(nitroimide)-1,2,3-triazolate","","- C2 H2 Ag N7 O4 -","- C2 H2 Ag N7 O4 -","- C8 H8 Ag4 N28 O16 -","4","1","","Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer","1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials","Journal of the American Chemical Society","2012","134","","20827","20836","10.1021/ja310384y","","","0.71073","MoKα","","0.0276","0.0238","","","0.0492","0.0508","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119054","4.9507","0.0004","7.5613","0.0007","45.518","0.004","90","","90","","90","","1703.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C72 H96 O20 -","4","1","","Bo Zhang; Yao Wang; Sheng-Ping Yang; Yu Zhou; Wen-Bin Wu; Wei Tang; Jian-Ping Zuo; Ying Li; Jian-Min Yue","Ivorenolide A, an Unprecedented Immunosuppressive Macrolide from Khaya ivorensis: Structural Elucidation and Bioinspired Total Synthesis","Journal of the American Chemical Society","2012","134","","20605","20608","10.1021/ja310482z","","","0.71073","MoKα","","0.0527","0.048","","","0.1167","0.1192","","","","","","1.127","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119166","11.8692","0.0004","12.5376","0.0004","22.9317","0.0008","90","","90","","90","","3412.5","0.2","143","1","143","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 Cl N3 O Si6 U -","- C18 H54 Cl N3 O Si6 U -","- C72 H216 Cl4 N12 O4 Si24 U4 -","4","1","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes","Journal of the American Chemical Society","2013","135","","511","518","10.1021/ja311057y","","","0.71073","MoKα","","0.0216","0.017","","","0.03","0.0307","","","","","","0.975","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119169","11.8088","0.0008","12.4796","0.0009","22.9669","0.0016","90","","90","","90","","3384.6","0.4","143","1","143","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 F N3 O Si6 U -","- C18 H54 F N3 O Si6 U -","- C72 H216 F4 N12 O4 Si24 U4 -","4","1","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes","Journal of the American Chemical Society","2013","135","","511","518","10.1021/ja311057y","","","0.71073","MoKα","","0.015","0.0141","","","0.0328","0.0331","","","","","","1.075","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119171","6.2434","0.0009","11.4384","0.0019","23.962","0.004","90","","90","","90","","1711.2","0.5","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2013","135","","519","528","10.1021/ja3111626","","","0.71073","MoKα","","0.0507","0.0437","","","0.105","0.1114","","","","","","1.099","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119172","11.2327","0.0006","12.5514","0.0007","20.9905","0.0011","90","","90","","90","","2959.4","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","2","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2013","135","","519","528","10.1021/ja3111626","","","0.71073","MoKα","","0.0327","0.0286","","","0.079","0.0871","","","","","","1.116","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119173","10.059","0.0005","16.5697","0.0008","20.9187","0.0011","90","","90","","90","","3486.6","0.3","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H46 N2 O2 Si -","- C41 H46 N2 O2 Si -","- C164 H184 N8 O8 Si4 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2013","135","","519","528","10.1021/ja3111626","","","0.71073","MoKα","","0.0332","0.0292","","","0.0727","0.0756","","","","","","0.981","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119192","6.4186","0.0002","10.3245","0.0004","19.9503","0.0007","90","","90","","90","","1322.08","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 O4 P -","- C13 H19 O4 P -","- C52 H76 O16 P4 -","4","1","","Michael T. Corbett; Jeffrey S. Johnson","Diametric Stereocontrol in Dynamic Catalytic Reduction of Racemic Acyl Phosphonates: Divergence from α-Keto Ester Congeners","Journal of the American Chemical Society","2013","135","","594","597","10.1021/ja310980q","","","1.54178","CuKα","","0.0379","0.0348","","","0.0917","0.0935","","","","","","1.051","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119193","8.0332","0.0006","10.8528","0.0008","17.7547","0.0013","90","","90","","90","","1547.9","0.2","100","2","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O8 -","- C16 H16 O8 -","- C64 H64 O32 -","4","1","","Michael T. Corbett; Jeffrey S. Johnson","Diametric Stereocontrol in Dynamic Catalytic Reduction of Racemic Acyl Phosphonates: Divergence from α-Keto Ester Congeners","Journal of the American Chemical Society","2013","135","","594","597","10.1021/ja310980q","","","1.54178","CuKα","","0.0237","0.0236","","","0.0606","0.0608","","","","","","1.058","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119200","10.8079","0.0013","11.3243","0.0011","39.272","0.005","90","","90","","90","","4806.6","1","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H54 Cl10 N2 O2 Si -","- C38 H54 Cl10 N2 O2 Si -","- C152 H216 Cl40 N8 O8 Si4 -","4","1","","Bin Xiao; Zhao-Jing Liu; Lei Liu; Yao Fu","Palladium-Catalyzed C-H Activation/Cross-Coupling of Pyridine N-Oxides with Nonactivated Secondary Alkyl Bromides","Journal of the American Chemical Society","2013","135","","616","619","10.1021/ja3113752","","","1.54184","CuKα","","0.1031","0.0605","","","0.1542","0.223","","","","","","1.083","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119218","5.9104","0.0004","9.8673","0.0005","25.267","0.0014","90","","90","","90","","1473.56","0.15","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C64 H64 Cl4 N4 O8 -","4","1","","Vincent N. G. Lindsay; Dominic Fiset; Philipp J. Gritsch; Soula Azzi; André B. Charette","Stereoselective Rh2(S-IBAZ)4-Catalyzed Cyclopropanation of Alkenes, Alkynes, and Allenes: Asymmetric Synthesis of Diacceptor Cyclopropylphosphonates and Alkylidenecyclopropanes","Journal of the American Chemical Society","2013","135","","1463","1470","10.1021/ja3099728","","","1.54178","CuKα","","0.0619","0.0586","","","0.1425","0.1454","","","","","","1.05","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119220","9.4422","0.0007","14.2545","0.0012","24.8885","0.0012","90","","90","","90","","3349.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 Cl2 N2 O11 S -","- C30 H46 Cl2 N2 O11 S -","- C120 H184 Cl8 N8 O44 S4 -","4","1","","Daniel J. Jansen; Ryan A. Shenvi","Synthesis of (-)-Neothiobinupharidine","Journal of the American Chemical Society","2013","135","","1209","1212","10.1021/ja310778t","","","0.71073","MoKα","","0.0758","0.0608","","","0.1573","0.1696","","","","","","1.023","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119222","12.4339","0.0012","18.1929","0.0018","18.5091","0.0018","90","","90","","90","","4186.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl Ni P -","- C22 H34 Cl Ni P -","- C176 H272 Cl8 Ni8 P8 -","8","2","","Thierry León; Arkaitz Correa; Ruben Martin","Ni-Catalyzed Direct Carboxylation of Benzyl Halides with CO2","Journal of the American Chemical Society","2013","135","","1221","1224","10.1021/ja311045f","","","0.71073","MoKα","","0.0728","0.0654","","","0.1519","0.1555","","","","","","1.083","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119226","7.8462","0.0007","13.8801","0.0013","16.651","0.0016","90","","90","","90","","1813.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Br N2 O4 S -","- C18 H19 Br N2 O4 S -","- C72 H76 Br4 N8 O16 S4 -","4","1","","Feng Chen; Chong Kiat Tan; Ying-Yeung Yeung","C2-Symmetric Cyclic Selenium-Catalyzed Enantioselective Bromoaminocyclization","Journal of the American Chemical Society","2013","135","","1232","1235","10.1021/ja311202e","","","0.71073","MoKα","","0.0279","0.0263","","","0.0676","0.0679","","","","","","1.056","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119247","6.7069","0.0002","16.258","0.0006","18.2761","0.0007","90","","90","","90","","1992.84","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 F2 O2 -","- C26 H22 F2 O2 -","- C104 H88 F8 O8 -","4","1","","Robert J. Phipps; F. Dean Toste","Chiral Anion Phase-Transfer Catalysis Applied to the Direct Enantioselective Fluorinative Dearomatization of Phenols","Journal of the American Chemical Society","2013","135","","1268","1271","10.1021/ja311798q","","","1.54178","CuKα","","0.0315","0.0303","","","0.0809","0.0819","","","","","","1.033","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119266","8.7374","0.0001","9.172","0.0001","30.6914","0.0004","90","","90","","90","","2459.59","0.05","193","2","193","2","","","","","","","chemical synthesis","6","P 21 21 21","P 2ac 2ab","19","MPL-X-119#1","(4<i>R</i>,12b<i>S</i>)-4-(4-Bromophenyl)-12-tosyl-1,3,4,6,7,12b- hexahydro-indolo[2,3-<i>a</i>]quinolizin-2(12<i>H</i>)-one","","- C28 H25 Br N2 O3 S -","- C28 H25 Br N2 O3 S -","- C112 H100 Br4 N8 O12 S4 -","4","1","","Mathieu P. Lalonde; Meredeth A. McGowan; Naomi S. Rajapaksa; Eric N. Jacobsen","Enantioselective Formal Aza-Diels-Alder Reactions of Enones with Cyclic Imines Catalyzed by Primary Aminothioureas","Journal of the American Chemical Society","2013","135","","1891","1894","10.1021/ja310718f","","","0.71073","MoKα","","0.0521","0.0354","","","0.077","0.0835","","","","","","1.017","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119296","8.5829","0.0008","10.7976","0.0011","12.1925","0.0011","90","","90","","90","","1129.94","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Cr O3 -","- C13 H10 Cr O3 -","- C52 H40 Cr4 O12 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0641","0.0425","","","0.082","0.0888","","","","","","1.017","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119344","14.6721","0.0008","18.2645","0.0009","32.1473","0.0015","90","","90","","90","","8614.8","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CS-10223","hartwig14","","- C82 H116 Cl Ir O8 P2 -","- C82 H116 Cl Ir O8 P2 -","- C328 H464 Cl4 Ir4 O32 P8 -","4","1","","Christo S. Sevov; John F. Hartwig","Iridium-Catalyzed Intermolecular Asymmetric Hydroheteroarylation of Bicycloalkenes","Journal of the American Chemical Society","2013","135","","2116","2119","10.1021/ja312360c","","","0.71073","MoKα","","0.0465","0.0379","","","0.078","0.0808","","","","","","1.02","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4119370","6.5589","0.0003","15.8671","0.0006","20.7298","0.0008","90","","90","","90","","2157.37","0.15","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N2 O3 S -","- C23 H26 N2 O3 S -","- C92 H104 N8 O12 S4 -","4","1","","Barry M. Trost; Tom M. Lam; Melissa A. Herbage","Regio- and Enantioselective Synthesis of Pyrrolidines Bearing a Quaternary Center by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethanes","Journal of the American Chemical Society","2013","135","","2459","2461","10.1021/ja312351s","","","1.54184","CuKα","","0.0279","0.0265","","","0.0722","0.0725","","","","","","1.049","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119375","10.162","0.002","10.857","0.002","17.358","0.004","90","","90","","90","","1915.1","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O S -","- C21 H26 N2 O S -","- C84 H104 N8 O4 S4 -","4","1","","Jonas S. Laursen; Jens Engel-Andreasen; Peter Fristrup; Pernille Harris; Christian A. Olsen","Cis-Trans Amide Bond Rotamers in β-Peptoids and Peptoids: Evaluation of Stereoelectronic Effects in Backbone and Side Chains","Journal of the American Chemical Society","2013","135","","2835","2844","10.1021/ja312532x","","","0.71073","MoKα","","0.0566","0.0494","","","0.1391","0.1587","","","","","","1.017","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119394","7.0399","0.0003","10.5694","0.0003","27.6019","0.0009","90","","90","","90","","2053.79","0.12","173.1","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 Br2 N O2 -","- C19 H29 Br2 N O2 -","- C76 H116 Br8 N4 O8 -","4","1","","Takuya Nishimura; Aditya K. Unni; Satoshi Yokoshima; Tohru Fukuyama","Total Syntheses of Lyconadins A-C","Journal of the American Chemical Society","2013","135","","3243","3247","10.1021/ja312065m","","","1.54187","CuKα","","","0.0416","","","","0.1263","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119395","7.6495","0.0014","9.4852","0.0018","24.586","0.004","90","","90","","90","","1783.9","0.6","223","","223","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Br3 N O2 -","- C14 H18 Br3 N O2 -","- C56 H72 Br12 N4 O8 -","4","1","","Kimberly T. Barrett; Scott J. Miller","Enantioselective Synthesis of Atropisomeric Benzamides through Peptide-Catalyzed Bromination","Journal of the American Chemical Society","2013","135","","2963","2966","10.1021/ja400082x","","","0.71075","MoKα","","","0.0462","","","","0.1059","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119403","6.3709","0.0008","12.5855","0.0016","16.038","0.002","90","","90","","90","","1285.9","0.3","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cl N3 O -","- C13 H14 Cl N3 O -","- C52 H56 Cl4 N12 O4 -","4","1","","Bin Liu; Kang-Nan Li; Shi-Wei Luo; Jian-Zhou Huang; Huan Pang; Liu-Zhu Gong","Chiral Gold Complex-Catalyzed Hetero-Diels-Alder Reaction of Diazenes: Highly Enantioselective and General for Dienes","Journal of the American Chemical Society","2013","135","","3323","3326","10.1021/ja3110472","","","0.71073","MoKα","","0.0518","0.037","","","0.0738","0.0788","","","","","","1.072","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119404","5.437","0.0001","8.4944","0.0003","34.8951","0.001","90","","90","","90","","1611.6","0.08","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N3 O2 -","- C15 H20 Cl N3 O2 -","- C60 H80 Cl4 N12 O8 -","4","1","","Bin Liu; Kang-Nan Li; Shi-Wei Luo; Jian-Zhou Huang; Huan Pang; Liu-Zhu Gong","Chiral Gold Complex-Catalyzed Hetero-Diels-Alder Reaction of Diazenes: Highly Enantioselective and General for Dienes","Journal of the American Chemical Society","2013","135","","3323","3326","10.1021/ja3110472","","","1.54184","CuKα","","0.0417","0.0367","","","0.0915","0.0963","","","","","","1.057","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119427","8.2008","0.0007","9.0915","0.0006","32.588","0.002","90","","90","","90","","2429.7","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 B N O -","- C31 H30 B N O -","- C124 H120 B4 N4 O4 -","4","1","","Ying-Li Rao; Hazem Amarne; Leanne D. Chen; Matthew L. Brown; Nicholas J. Mosey; Suning Wang","Photo- and Thermal-Induced Multistructural Transformation of 2-Phenylazolyl Chelate Boron Compounds","Journal of the American Chemical Society","2013","135","","3407","3410","10.1021/ja400917r","","","0.71073","MoKα","","0.2027","0.087","","","0.1956","0.2518","","","","","","0.997","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119449","7.6433","0.0008","19.887","0.002","22.256","0.003","90","","90","","90","","3383","0.7","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C144 H120 Br8 O24 -","8","2","","Keiji Mori; Yuki Ichikawa; Manato Kobayashi; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Enantioselective Synthesis of Multisubstituted Biaryl Skeleton by Chiral Phosphoric Acid Catalyzed Desymmetrization/Kinetic Resolution Sequence","Journal of the American Chemical Society","2013","135","","3964","3970","10.1021/ja311902f","","","0.71073","MoKα","","0.0606","0.0503","","","0.1548","0.1615","","","","","","1.108","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119494","5.4341","0.0006","10.1557","0.0012","20.159","0.002","90","","90","","90","","1112.5","0.2","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 Br O3 -","- C13 H9 Br O3 -","- C52 H36 Br4 O12 -","4","1","","Toshifumi Dohi; Naoko Takenaga; Tomofumi Nakae; Yosuke Toyoda; Mikio Yamasaki; Motoo Shiro; Hiromichi Fujioka; Akinobu Maruyama; Yasuyuki Kita","Asymmetric Dearomatizing Spirolactonization of Naphthols Catalyzed by Spirobiindane-Based Chiral Hypervalent Iodine Species","Journal of the American Chemical Society","2013","135","","4558","4566","10.1021/ja401074u","","","0.71075","MoKα","","","0.0238","","","","0.0682","","","","","","1.045","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119512","7.393","0.001","13.6537","0.0019","19.656","0.003","90","","90","","90","","1984.1","0.5","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br N2 O2 S -","- C21 H19 Br N2 O2 S -","- C84 H76 Br4 N8 O8 S4 -","4","1","","Lennart Lykke; Kim Søholm Halskov; Bjørn Dreiø Carlsen; Victor X. Chen; Karl Anker Jørgensen","Catalytic Asymmetric Diaziridination","Journal of the American Chemical Society","2013","135","","4692","4695","10.1021/ja401150m","","","0.71073","MoKα","","0.1377","0.0573","","","0.0785","0.0992","","","","","","1.017","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119513","10.1","0.002","19.07","0.004","26.03","0.005","90","","90","","90","","5013.6","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H63 F3 N12 O6 -","- C52 H63 F3 N12 O6 -","- C208 H252 F12 N48 O24 -","4","1","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","0.75","MoKα","","0.0387","0.0385","","","0.0994","0.0996","","","","","","1.048","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119554","13.1242","0.0004","15.462","0.0004","17.2687","0.0007","90","","90","","90","","3504.3","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Cl2 Ge N5 -","- C33 H43 Cl2 Ge N5 -","- C132 H172 Cl8 Ge4 N20 -","4","1","","Yun Xiong; Shenglai Yao; Gengwen Tan; Shigeyoshi Inoue; Matthias Driess","A Cyclic Germadicarbene (""Germylone"") from Germyliumylidene","Journal of the American Chemical Society","2013","135","","5004","5007","10.1021/ja402477w","","","0.71073","MoKα","","0.0528","0.0448","","","0.0913","0.0944","","","","","","1.058","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119560","7.0823","0.0011","10.4444","0.0015","22.098","0.003","90","","90","","90","","1634.6","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","06094","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","","Elizabeth H. Krenske; Shuzhong He; Jian Huang; Yunfei Du; K. N. Houk; Richard P. Hsung","Intramolecular Oxyallyl-Carbonyl (3 + 2) Cycloadditions","Journal of the American Chemical Society","2013","135","","5242","5245","10.1021/ja312459b","","","0.71073","MoKα","","0.0327","0.0287","","","0.0672","0.069","","","","","","1.051","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119570","9.06579","0.00011","10.63399","0.00013","30.8521","0.0005","90","","90","","90","","2974.31","0.07","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 Fe N4 O4 -","- C35 H30 Fe N4 O4 -","- C140 H120 Fe4 N16 O16 -","4","1","","Qing-Hai Deng; Tim Bleith; Hubert Wadepohl; Lutz H. Gade","Enantioselective Iron-Catalyzed Azidation of β-Keto Esters and Oxindoles","Journal of the American Chemical Society","2013","135","","5356","5359","10.1021/ja402082p","","x-ray","1.5418","CuKα","","0.0485","0.0447","","","0.1251","0.1271","","","","","","1.077","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119572","12.1115","0.0004","12.3278","0.0003","12.5525","0.0004","90","","90","","90","","1874.19","0.1","110","1","110","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 Br F N4 O -","- C22 H14 Br F N4 O -","- C88 H56 Br4 F4 N16 O4 -","4","1","","Qing-Hai Deng; Tim Bleith; Hubert Wadepohl; Lutz H. Gade","Enantioselective Iron-Catalyzed Azidation of β-Keto Esters and Oxindoles","Journal of the American Chemical Society","2013","135","","5356","5359","10.1021/ja402082p","","x-ray","1.5418","CuKα","","0.0336","0.0335","","","0.0776","0.0776","","","","","","1.153","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119593","9.3958","0.0003","17.6638","0.0006","26.0979","0.0008","90","","90","","90","","4331.4","0.2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H60 N4 O4 S2 -","- C39 H60 N4 O4 S2 -","- C156 H240 N16 O16 S8 -","4","1","","Jonathan T. Reeves; Zhulin Tan; Melissa A. Herbage; Zhengxu S. Han; Maurice A. Marsini; Zhibin Li; Guisheng Li; Yibo Xu; Keith R. Fandrick; Nina C. Gonnella; Scot Campbell; Shengli Ma; Nelu Grinberg; Heewon Lee; Bruce Z. Lu; Chris H. Senanayake","Carbamoyl Anion Addition to N-Sulfinyl Imines: Highly Diastereoselective Synthesis of α-Amino Amides","Journal of the American Chemical Society","2013","135","","5565","5568","10.1021/ja402647m","","","1.54178","","","0.0471","0.045","","","","0.1446","","","","","","1.0609","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119648","12.125","0.002","16.355","0.003","27.163","0.005","90","","90","","90","","5386.5","1.7","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,2-dimethylenebenzene) _ 2 PF6_ 2 H2PO4_ 9.5 H2O","","","- C38 H48 F12 N10 O17.5 P4 -","- C38 H38 F12 N10 O17.5 P4 -","- C152 H152 F48 N40 O70 P16 -","4","1","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.126","0.0959","","","0.2042","0.2243","","","","","","0.961","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119711","9.519","","9.886","","25.98","","90","","90","","90","","2444.84","","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H24 O -","- C37 H24 O -","- C148 H96 O4 -","4","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.0976","0.0587","","","0.1095","0.1304","","","","","","0.994","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119721","9.084","0.0011","9.8173","0.0012","20.873","0.003","90","","90","","90","","1861.5","0.4","93","","93","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 F3 N2 O3 P S -","- C16 H20 F3 N2 O3 P S -","- C64 H80 F12 N8 O12 P4 S4 -","4","1","","Kazuki Umehara; Shigeki Kuwata; Takao Ikariya","N-N Bond Cleavage of Hydrazines with a Multiproton-Responsive Pincer-Type Iron Complex","Journal of the American Chemical Society","2013","135","","6754","6757","10.1021/ja3122944","","","0.71075","MoKα","","","0.0289","","","","0.0833","","","","","","1","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119725","13.401","0.006","17.773","0.005","31.138","0.011","90","","90","","90","","7416","5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Co N14 O6 P S -","- C15 H21 Co N14 O6 P S -","- C180 H252 Co12 N168 O72 P12 S12 -","12","3","","Silvia Gomez-Coca; Eduard Cremades; Núria Aliaga-Alcalde; Eliseo Ruiz","Mononuclear Single-Molecule Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes","Journal of the American Chemical Society","2013","135","","7010","7018","10.1021/ja4015138","","","0.71073","MoKα","","0.0963","0.0447","","","0.0862","0.099","","","","","","0.821","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119732","10.0751","0.0012","10.7241","0.0013","16.6027","0.0019","90","","90","","90","","1793.9","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C80 H88 N8 O8 S4 -","4","1","","Jillian E. Spangler; Huw M. L. Davies","Catalytic Asymmetric Synthesis of Pyrroloindolines via a Rhodium(II)-Catalyzed Annulation of Indoles","Journal of the American Chemical Society","2013","135","","6802","6805","10.1021/ja4025337","","","0.71073","","","0.05156","0.048183","","","","0.124917","","","","","","1.05404","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119733","6.7093","0.0001","8.8356","0.0002","28.7168","0.0007","90","","90","","90","","1702.35","0.06","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O2 S -","- C19 H22 N2 O2 S -","- C76 H88 N8 O8 S4 -","4","1","","Jillian E. Spangler; Huw M. L. Davies","Catalytic Asymmetric Synthesis of Pyrroloindolines via a Rhodium(II)-Catalyzed Annulation of Indoles","Journal of the American Chemical Society","2013","135","","6802","6805","10.1021/ja4025337","","","0.71073","MoKα","","0.032","0.028","","","","0.029","0.041","","","","","1.553","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119750","9.8022","0.0002","10.0734","0.0003","28.5375","0.0007","90","","90","","90","","2817.84","0.12","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O3 -","- C32 H38 N2 O3 -","- C128 H152 N8 O12 -","4","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.0373","0.0346","","","0.097","0.099","","","","","","1.03","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119814","8.67519","0.00013","13.1864","0.0002","19.5646","0.0002","90","","90","","90","","2238.08","0.05","99.94","0.18","99.94","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Luca Dell'Amico; Łukasz Albrecht; Tricia Naicker; Pernille H. Poulsen; Karl Anker Jørgensen","Beyond Classical Reactivity Patterns: Shifting from 1,4- to 1,6-Additions in Regio- and Enantioselective Organocatalyzed Vinylogous Reactions of Olefinic Lactones with Enals and 2,4-Dienals","Journal of the American Chemical Society","2013","135","","8063","8070","10.1021/ja4029928","","","0.7107","MoKα","","0.0565","0.0399","","","0.0791","0.0867","","","","","","1.056","","","","has coordinates,has Fobs","178969","2020-10-21","18:00:00",""
"4119826","7.9326","0.0016","13.758","0.003","27.001","0.005","90","","90","","90","","2946.8","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Br N O4 S -","- C13 H16 Br N O4 S -","- C104 H128 Br8 N8 O32 S8 -","8","2","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.044","0.0406","","","0.0847","0.0868","","","","","","1.081","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119874","11.2515","0.0005","12.1303","0.0006","16.1131","0.0008","90","","90","","90","","2199.18","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O6 S -","- C24 H20 N2 O6 S -","- C96 H80 N8 O24 S4 -","4","1","","Zhong-Yan Cao; Xiaoming Wang; Chen Tan; Xiao-Li Zhao; Jian Zhou; Kuiling Ding","Highly Stereoselective Olefin Cyclopropanation of Diazooxindoles Catalyzed by a C2-Symmetric Spiroketal Bisphosphine/Au(I) Complex","Journal of the American Chemical Society","2013","135","","8197","8200","10.1021/ja4040895","","","0.71073","MoKα","","0.0511","0.0373","","","0.0873","0.0955","","","","","","1.056","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119935","10.4235","0.001","17.0105","0.0009","21.393","0.002","90","","90","","90","","3793.2","0.5","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 B Cl2 F10 O2 P -","- C39 H34 B Cl2 F10 O2 P -","- C156 H136 B4 Cl8 F40 O8 P4 -","4","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.047","0.0411","","","0.0927","0.0973","","","","","","1.074","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119954","6.7794","0.0003","12.2839","0.0005","38.52","0.0016","90","","90","","90","","3207.8","0.2","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ingalls001","ingalls001","","- C31 H31 F6 N3 O6 Pd -","- C31 H31 F6 N3 O6 Pd -","- C124 H124 F24 N12 O24 Pd4 -","4","1","","Erica L. Ingalls; Paul A. Sibbald; Werner Kaminsky; Forrest E. Michael","Enantioselective Palladium-Catalyzed Diamination of Alkenes Using N-Fluorobenzenesulfonimide","Journal of the American Chemical Society","2013","135","","8854","8856","10.1021/ja4043406","","","0.71073","MoKα","","0.0587","0.0479","","","0.0855","0.0891","","","","","","1.069","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119971","8.6522","0.0003","13.2195","0.0005","20.8263","0.0008","90","","90","","90","","2382.07","0.15","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 Cl N3 O Re -","- C24 H33 Cl N3 O Re -","- C96 H132 Cl4 N12 O4 Re4 -","4","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0246","0.021","","","0.0382","0.0391","","","","","","1.033","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4120021","11.2443","0.0004","16.9952","0.0006","22.5245","0.0008","90","","90","","90","","4304.4","0.3","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 K O6 Si3 Tb -","- C36 H63 K O6 Si3 Tb -","- C144 H252 K4 O24 Si12 Tb4 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.014","0.0137","","","0.0336","0.0337","","","","","","1.054","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120053","15.5861","0.0006","19.4893","0.0007","24.7864","0.0011","90","","90","","90","","7529.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33.5 H55 N3 O6.5 Si -","- C33.5 H55 N3 O6.5 Si -","- C268 H440 N24 O52 Si8 -","8","2","","Mayumi Kudo; Victor Maurizot; Brice Kauffmann; Aya Tanatani; Ivan Huc","Folding of a Linear Array of α-Amino Acids within a Helical Aromatic Oligoamide Frame","Journal of the American Chemical Society","2013","135","","9628","9631","10.1021/ja404656z","","","1.54178","CuKα","","0.1025","0.0871","","","0.1917","0.2018","","","","","","0.971","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120098","6.7922","0.0009","20.03","0.003","20.499","0.003","90","","90","","90","","2788.8","0.7","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 Cl F6 N2 O S -","- C29 H27 Cl F6 N2 O S -","- C116 H108 Cl4 F24 N8 O4 S4 -","4","1","","Hong-Bo Cheng; Heng-Yi Zhang; Yu Liu","Dual-Stimulus Luminescent Lanthanide Molecular Switch Based on an Unsymmetrical Diarylperfluorocyclopentene","Journal of the American Chemical Society","2013","135","","10190","10193","10.1021/ja4018804","","","0.71073","MoKα","","0.0357","0.0309","","","0.0589","0.0602","","","","","","1.01","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120116","12.303","0.0008","16.4866","0.0011","17.9428","0.0013","90","","90","","90","","3639.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 Cl2 N2 O Ru S2 -","- C38 H44 Cl2 N2 O Ru S2 -","- C152 H176 Cl8 N8 O4 Ru4 S8 -","4","1","","R. Kashif M. Khan; Sebastian Torker; Amir H. Hoveyda","Readily Accessible and Easily Modifiable Ru-Based Catalysts for Efficient and Z-Selective Ring-Opening Metathesis Polymerization and Ring-Opening/Cross-Metathesis","Journal of the American Chemical Society","2013","135","","10258","10261","10.1021/ja404208a","","","1.54178","CuKα","","0.0283","0.0276","","","0.0689","0.0694","","","","","","1.045","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120123","6.8772","0.0003","15.793","0.001","20.9413","0.0012","90","","90","","90","","2274.5","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br N2 O6 -","- C25 H21 Br N2 O6 -","- C100 H84 Br4 N8 O24 -","4","1","","John Hartung; Robert H. Grubbs","Highly Z-Selective and Enantioselective Ring-Opening/Cross-Metathesis Catalyzed by a Resolved Stereogenic-at-Ru Complex","Journal of the American Chemical Society","2013","135","","10183","10185","10.1021/ja4046422","","","0.71073","MoKα","","0.0789","0.0434","","","0.0558","0.0614","","","","","","1.043","","","","has coordinates,has Fobs","178978","2020-10-21","18:00:00",""
"4120144","9.3166","0.0002","23.0618","0.0006","23.8529","0.0007","90","","90","","90","","5125","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H40 Cl6 F3 Ir N6 O5 -","- C53 H40 Cl6 F3 Ir N6 O5 -","- C212 H160 Cl24 F12 Ir4 N24 O20 -","4","1","","Liang-An Chen; Weici Xu; Biao Huang; Jiajia Ma; Lun Wang; Jianwei Xi; Klaus Harms; Lei Gong; Eric Meggers","Asymmetric Catalysis with an Inert Chiral-at-Metal Iridium Complex","Journal of the American Chemical Society","2013","135","","10598","10601","10.1021/ja403777k","","","0.71073","MoKα","","0.0291","0.0263","","","0.0583","0.0599","","","","","","1.037","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120161","7.07237","0.00005","14.23564","0.00009","20.25493","0.00014","90","","90","","90","","2039.26","0.02","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","1.54184","CuKα","","0.0264","0.0251","","","0.063","0.0643","","","","","","1.033","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120164","8.4853","0.0003","10.8613","0.0004","17.6979","0.0006","90","","90","","90","","1631.06","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C76 H72 O12 S4 -","4","1","","Wen-Bo Liu; Corey M. Reeves; Scott C. Virgil; Brian M. Stoltz","Construction of Vicinal Tertiary and All-Carbon Quaternary Stereocenters via Ir-Catalyzed Regio-, Diastereo-, and Enantioselective Allylic Alkylation and Applications in Sequential Pd Catalysis","Journal of the American Chemical Society","2013","135","","10626","10629","10.1021/ja4052075","","","0.71073","MoKα","","0.0694","0.0483","","","0.0806","0.0846","","","","","","1.546","","","","has coordinates,has disorder,has Fobs","178978","2020-10-21","18:00:00",""
"4120166","9.905","0.0003","11.2173","0.0003","18.9185","0.0006","90","","90","","90","","2101.98","0.11","100","2","99.97","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 B F4 N3 O -","- C22 H24 B F4 N3 O -","- C88 H96 B4 F16 N12 O4 -","4","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.0264","0.0247","","","0.0612","0.0624","","","","","","1.022","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120167","5.9141","0.0003","12.8128","0.0006","17.2988","0.0008","90","","90","","90","","1310.84","0.11","100","2","99.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.0237","0.0218","","","0.0645","0.0781","","","","","","1.233","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120168","6.8419","0.0003","8.842","0.0003","22.3994","0.0007","90","","90","","90","","1355.08","0.09","100","2","100.04","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C64 H52 Br4 O8 -","4","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.041","0.0333","","","0.0737","0.0768","","","","","","1.015","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120216","7.049","0.0005","15.7707","0.0011","31.054","0.002","90","","90","","90","","3452.2","0.4","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","10b","","","- C116 H130 B40 Fe4 O9 S8 -","- C116 H130 B40 Fe4 O9 S8 -","- C116 H130 B40 Fe4 O9 S8 -","1","0.25","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0916","0.0552","","","0.1192","0.1438","","","","","","1.102","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120225","7.341","0.0006","15.7811","0.0013","22.181","0.002","90","","90","","90","","2569.6","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Br N2 O3 -","- C29 H35 Br N2 O3 -","- C116 H140 Br4 N8 O12 -","4","1","","Ke Kong; John A. Enquist; Monica E. McCallum; Genessa M. Smith; Takanori Matsumaru; Elnaz Menhaji-Klotz; John L. Wood","An Enantioselective Total Synthesis and Stereochemical Revision of (+)-Citrinadin B","Journal of the American Chemical Society","2013","135","","10890","10893","10.1021/ja405548b","","","0.71073","MoKα","","0.048","0.034","","","0.0851","0.0909","","","","","","1.019","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120226","7.4679","0.0003","13.9184","0.0006","21.9214","0.0009","90","","90","","90","","2278.54","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O3 -","- C28 H32 N2 O3 -","- C112 H128 N8 O12 -","4","1","","Ke Kong; John A. Enquist; Monica E. McCallum; Genessa M. Smith; Takanori Matsumaru; Elnaz Menhaji-Klotz; John L. Wood","An Enantioselective Total Synthesis and Stereochemical Revision of (+)-Citrinadin B","Journal of the American Chemical Society","2013","135","","10890","10893","10.1021/ja405548b","","","0.71073","MoKα","","0.0631","0.0452","","","0.1048","0.1148","","","","","","0.99","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120227","7.4734","0.0015","12.225","0.002","27.512","0.006","90","","90","","90","","2513.6","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 O4 -","- C31 H32 O4 -","- C124 H128 O16 -","4","1","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","1.54178","CuKα","","0.0406","0.0402","","","0.1115","0.1121","","","","","","1.058","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120229","7.485","0.0015","8.276","0.0017","34.345","0.007","90","","90","","90","","2127.5","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br O4 -","- C25 H21 Br O4 -","- C100 H84 Br4 O16 -","4","1","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","0.71073","MoKα","","0.1434","0.0668","","","0.1066","0.1268","","","","","","1.004","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120230","10.174","","11.562","","20.412","","90","","90","","90","","2401.1","","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 O4 -","- C30 H30 O4 -","- C120 H120 O16 -","4","1","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","1.54184","CuKα","","0.0723","0.066","","","0.1695","0.1923","","","","","","1.124","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120233","24.846","0.012","13.173","0.006","7.666","0.004","90","","90","","90","","2509","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl N4 O2 -","- C28 H23 Cl N4 O2 -","- C112 H92 Cl4 N16 O8 -","4","1","","Feng Zhou; Chen Tan; Jing Tang; Yan-Yan Zhang; Wei-Ming Gao; Hai-Hong Wu; Yi-Hua Yu; Jian Zhou","Asymmetric Copper(I)-Catalyzed Azide-Alkyne Cycloaddition to Quaternary Oxindoles","Journal of the American Chemical Society","2013","135","","10994","10997","10.1021/ja4066656","","","0.71073","MoKα","","0.0894","0.0669","","","0.1661","0.1848","","","","","","1.044","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120237","9.3778","0.0009","13.4883","0.0012","31.293","0.003","90","","90","","90","","3958.3","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H47 N7 O7 -","- C44 H47 N7 O7 -","- C176 H188 N28 O28 -","4","1","","Roshna V. Nair; Sanjeev Kheria; Suresh Rayavarapu; Amol S. Kotmale; Bharatam Jagadeesh; Rajesh G. Gonnade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","A Synthetic Zipper Peptide Motif Orchestrated via Co-operative Interplay of Hydrogen Bonding, Aromatic Stacking, and Backbone Chirality","Journal of the American Chemical Society","2013","135","","11477","11480","10.1021/ja405455g","","","0.71073","MoKα","","0.0563","0.0497","","","0.0948","0.0975","","","","","","1.165","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120239","10.2506","0.0005","19.2039","0.0009","21.4853","0.001","90","","90","","90","","4229.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C44 H51 N7 O9 -","- C44 H47 N7 O9 -","- C176 H188 N28 O36 -","4","1","","Roshna V. Nair; Sanjeev Kheria; Suresh Rayavarapu; Amol S. Kotmale; Bharatam Jagadeesh; Rajesh G. Gonnade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","A Synthetic Zipper Peptide Motif Orchestrated via Co-operative Interplay of Hydrogen Bonding, Aromatic Stacking, and Backbone Chirality","Journal of the American Chemical Society","2013","135","","11477","11480","10.1021/ja405455g","","","0.71073","MoKα","","0.0936","0.0857","","","0.1797","0.183","","","","","","1.348","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120244","8.378","0.002","9.574","0.003","17.66","0.005","90","","90","","90","","1416.5","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 I O2 -","- C14 H15 I O2 -","- C56 H60 I4 O8 -","4","1","","Yuli Wang; Wanli Zhang; Shengming Ma","A Room-Temperature Catalytic Asymmetric Synthesis of Allenes with ECNU-Phos","Journal of the American Chemical Society","2013","135","","11517","11520","10.1021/ja406135t","","","0.71073","MoKα","","0.0206","0.0191","","","0.0444","0.0454","","","","","","1.058","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120264","8.44","0.003","8.862","0.003","13.239","0.004","90","","90","","90","","990.2","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C40 H64 N8 O8 -","4","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.1041","0.0648","","","0.1531","0.1689","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120288","6.1707","0.0006","8.7929","0.0008","30.591","0.003","90","","90","","90","","1659.8","0.3","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Br N O -","- C21 H16 Br N O -","- C84 H64 Br4 N4 O4 -","4","1","","Kodai Saito; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Chiral Phosphoric Acid-Catalyzed Oxidative Kinetic Resolution of Indolines Based on Transfer Hydrogenation to Imines","Journal of the American Chemical Society","2013","135","","11740","11743","10.1021/ja406004q","","","0.71073","MoKα","","0.0228","0.0208","","","0.049","0.0507","","","","","","1.059","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120289","8.8754","0.0009","11.0905","0.0011","33.563","0.003","90","","90","","90","","3303.7","0.6","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 S -","- C17 H15 Br N O2 S -","- C136 H120 Br8 N8 O16 S8 -","8","2","","Kodai Saito; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Chiral Phosphoric Acid-Catalyzed Oxidative Kinetic Resolution of Indolines Based on Transfer Hydrogenation to Imines","Journal of the American Chemical Society","2013","135","","11740","11743","10.1021/ja406004q","","","0.71073","MoKα","","0.0403","0.0293","","","0.0624","0.0651","","","","","","1.009","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120290","8.539","0.003","9.408","0.003","17.039","0.005","90","","90","","90","","1368.8","0.8","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br N O -","- C16 H14 Br N O -","- C64 H56 Br4 N4 O4 -","4","1","","Kodai Saito; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Chiral Phosphoric Acid-Catalyzed Oxidative Kinetic Resolution of Indolines Based on Transfer Hydrogenation to Imines","Journal of the American Chemical Society","2013","135","","11740","11743","10.1021/ja406004q","","","0.71073","MoKα","","0.0528","0.0435","","","0.0979","0.101","","","","","","0.955","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120301","6.9167","0.0001","16.1463","0.0003","25.1508","0.0005","90","","90","","90","","2808.82","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 N2 O P -","- C32 H39 N2 O P -","- C128 H156 N8 O4 P4 -","4","1","","Pavel A. Donets; Nicolai Cramer","Diaminophosphine Oxide Ligand Enabled Asymmetric Nickel-Catalyzed Hydrocarbamoylations of Alkenes","Journal of the American Chemical Society","2013","135","","11772","11775","10.1021/ja406730t","","","1.54178","CuKα","","0.0467","0.0402","","","0.104","0.1107","","","","","","1.049","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120302","7.7009","0.00013","8.44732","0.0002","19.9183","0.0004","90","","90","","90","","1295.72","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Br N O -","- C11 H20 Br N O -","- C44 H80 Br4 N4 O4 -","4","1","","Pavel A. Donets; Nicolai Cramer","Diaminophosphine Oxide Ligand Enabled Asymmetric Nickel-Catalyzed Hydrocarbamoylations of Alkenes","Journal of the American Chemical Society","2013","135","","11772","11775","10.1021/ja406730t","","","1.54178","CuKα","","0.0201","0.0198","","","0.0542","0.0545","","","","","","1.032","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120327","7.1817","0.0016","8.6876","0.0018","24.463","0.005","90","","90","","90","","1526.3","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 B10 F4 -","- C10 H14 B10 F4 -","- C40 H56 B40 F16 -","4","1","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.1072","0.0578","","","0.1302","0.1575","","","","","","1.023","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120398","11.8177","0.0004","14.8184","0.0005","18.1562","0.0007","90","","90","","90","","3179.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 B2 S2 -","- C38 H34 B2 S2 -","- C152 H136 B8 S8 -","4","1","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.0531","0.0494","","","0.1277","0.1301","","","","","","1.031","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120415","9.1671","0.0005","16.15","0.0009","20.4953","0.0011","90","","90","","90","","3034.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H56 Mn N O -","- C28 H56 Mn N2 O2 -","- C112 H224 Mn4 N8 O8 -","4","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films","Journal of the American Chemical Society","2013","135","","12588","12591","10.1021/ja407014w","","","0.71073","MoKα","","0.0285","0.0249","","","0.0819","0.0881","","","","","","0.782","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120420","8.3759","0.0011","10.6746","0.0014","11.5652","0.0015","90","","90","","90","","1034","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ZW03183","toste79","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Weiwei Zi; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Carboalkoxylation of Alkynes","Journal of the American Chemical Society","2013","135","","12600","12603","10.1021/ja407150h","","","1.54178","CuKα","","0.0247","0.0245","","","0.0656","0.0658","","","","","","1.072","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4120430","11.5083","0.0004","11.7852","0.0004","16.1123","0.0006","90","","90","","90","","2185.27","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H33 F3 N4 Ni O5 S -","- C16 H33 F3 N4 Ni O5 S -","- C64 H132 F12 N16 Ni4 O20 S4 -","4","1","","Heims, Florian; Pfaff, Florian Felix; Abram, Sarah-Luise; Farquhar, Erik R.; Bruschi, Maurizio; Greco, Claudio; Ray, Kallol","Redox non-innocence of a N-heterocyclic nitrenium cation bound to a nickel-cyclam core.","Journal of the American Chemical Society","2014","136","2","582","585","10.1021/ja4099559","","","0.71073","MoKα","","0.0481","0.0391","","","0.066","0.0668","","","","","","1.747","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120476","15.2965","0.0008","17.931","0.001","20.879","0.0011","90","","90","","90","","5726.7","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H34 N4 W -","- C14 H34 N4 W -","- C168 H408 N48 W12 -","12","3","","McClain, K. Randall; O'Donohue, Christopher; Koley, Arijit; Bonsu, Richard O.; Abboud, Khalil A.; Revelli, Joseph C.; Anderson, Timothy J.; McElwee-White, Lisa","Tungsten Nitrido Complexes as Precursors for Low Temperature Chemical Vapor Deposition of WNxCy Films as Diffusion Barriers for Cu Metallization.","Journal of the American Chemical Society","2014","136","4","1650","1662","10.1021/ja4117582","","","0.71073","MoKα","","0.0306","0.0214","","","0.0377","0.0393","","","","","","0.98","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120478","9.3477","0.0011","10.5608","0.0012","17.8086","0.0019","90","","90","","90","","1758.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 F3 Ge N2 -","- C15 H25 F3 Ge N2 -","- C60 H100 F12 Ge4 N8 -","4","1","","Samuel, Prinson P.; Li, Yan; Roesky, Herbert W.; Chevelkov, Veniamin; Lange, Adam; Burkhardt, Anja; Dittrich, Birger","Synthetic Access to a Hydrocarbon-Soluble Trifluorinated Ge(II) Compound and its Sn(II) Congener.","Journal of the American Chemical Society","2014","136","4","1292","1295","10.1021/ja412151e","","","0.71073","MoKα","","0.036","0.0281","","","0.0566","0.0587","","","","","","1.041","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120495","6.125","0.002","7.74","0.003","32.799","0.011","90","","90","","90","","1554.9","0.9","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,7-diphenyl-3,6-dihydropyrrolo[3,2-e]indole","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Wei, Ye; Deb, Indubhusan; Yoshikai, Naohiko","Correction to palladium-catalyzed aerobic oxidative cyclization of N-aryl imines: indole synthesis from anilines and ketones.","Journal of the American Chemical Society","2014","136","7","2928","","10.1021/ja500182v","","","0.71073","MoKα","","0.1006","0.0646","","","0.1439","0.178","","","","","","1.021","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120511","9.5916","0.0004","11.3171","0.0005","18.2254","0.0008","90","","90","","90","","1978.35","0.15","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 Si -","- C21 H32 O3 Si -","- C84 H128 O12 Si4 -","4","1","","Shvartsbart, Artem; Smith, 3rd, Amos B","Total synthesis of (-)-calyciphylline N.","Journal of the American Chemical Society","2014","136","3","870","873","10.1021/ja411539w","","","0.71073","MoKα","","0.0288","0.0278","","","0.0756","0.0762","","","","","","1.051","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120513","10.8051","0.0003","15.4905","0.0005","20.738","0.0007","90","","90","","90","","3471.05","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CP3FeN2H","","","- C37 H55 Fe N2 P3 -","- C37 H55 Fe N2 P3 -","- C148 H220 Fe4 N8 P12 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Catalytic Reduction of N2 to NH3 by an Fe-N2 Complex Featuring a C-Atom Anchor.","Journal of the American Chemical Society","2014","136","3","1105","1115","10.1021/ja4114962","","","0.71073","MoKα","","0.0306","0.0304","","","0.0776","0.0777","","","","","","1.059","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120537","8.0828","0.0004","8.9952","0.0006","21.181","0.0011","90","","90","","90","","1539.99","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","","Miura, Tomoya; Funakoshi, Yuuta; Murakami, Masahiro","Intramolecular Dearomatizing [3 + 2] Annulation of α-Imino Carbenoids with Aryl Rings Furnishing 3,4-Fused Indole Skeletons.","Journal of the American Chemical Society","2014","136","6","2272","2275","10.1021/ja412663a","","","0.71075","MoKα","","0.029","0.0284","","","0.0886","0.0902","","","","","","0.827","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120540","7.1757","0.0017","8.249","0.002","28.018","0.007","90","","90","","90","","1658.5","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Br N O3 -","- C18 H20 Br N O3 -","- C72 H80 Br4 N4 O12 -","4","1","","Liu, Honglei; Wu, Yang; Zhao, Yan; Li, Zhen; Zhang, Lei; Yang, Wenjun; Jiang, Hui; Jing, Chengfeng; Yu, Hao; Wang, Bo; Xiao, Yumei; Guo, Hongchao","Metal-catalyzed [6 + 3] cycloaddition of tropone with azomethine ylides: a practical access to piperidine-fused bicyclic heterocycles.","Journal of the American Chemical Society","2014","136","6","2625","2629","10.1021/ja4122268","","","0.71073","MoKα","","0.0399","0.0376","","","0.0811","0.0825","","","","","","1.082","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120554","7.8864","0.0004","11.2704","0.0004","12.0597","0.0006","90","","90","","90","","1071.9","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N6 O3 -","- C9 H12 N6 O3 -","- C36 H48 N24 O12 -","4","1","","Blain, J. Craig; Ricardo, Alonso; Szostak, Jack W.","Synthesis and Nonenzymatic Template-Directed Polymerization of 2'-Amino-2'-deoxythreose Nucleotides.","Journal of the American Chemical Society","2014","136","5","2033","2039","10.1021/ja411950n","","","1.54178","CuKα","","0.0543","0.0455","","","0.1124","0.1183","","","","","","1.06","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120555","6.0761","0.0003","8.3926","0.0005","23.7433","0.0016","90","","90","","90","","1210.77","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H12 Br4 N2 Pb -","- C3 H12 Br4 N2 Pb -","- C12 H48 Br16 N8 Pb4 -","4","1","","Dohner, Emma R.; Hoke, Eric T.; Karunadasa, Hemamala I.","Self-assembly of broadband white-light emitters.","Journal of the American Chemical Society","2014","136","5","1718","1721","10.1021/ja411045r","","","0.71073","MoKα","","0.0517","0.0339","","","","0.0687","","","","","","1.036","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120563","6.159","0.0003","9.1136","0.0005","25.9848","0.0013","90","","90","","90","","1458.54","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O3 -","- C16 H17 Br O3 -","- C64 H68 Br4 O12 -","4","1","","Gao, Fang; Carr, James L.; Hoveyda, Amir H.","A Broadly Applicable NHC-Cu-Catalyzed Approach for Efficient, Site-, and Enantioselective Coupling of Readily Accessible (Pinacolato)alkenylboron Compounds to Allylic Phosphates and Applications to Natural Product Synthesis.","Journal of the American Chemical Society","2014","136","5","2149","2161","10.1021/ja4126565","","","0.71073","MoKα","","0.0176","0.0168","","","0.0452","0.0455","","","","","","1.056","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120569","10.02","0.002","14.726","0.002","28.284","0.002","90","","90","","90","","4173.4","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H64 Cl4 Co N2 -","- C40 H64 Cl4 Co N2 -","- C160 H256 Cl16 Co4 N8 -","4","1","","Mondal, Kartik Chandra; Samuel, Prinson P.; Roesky, Herbert W.; Carl, Elena; Herbst-Irmer, Regine; Stalke, Dietmar; Schwederski, Brigitte; Kaim, Wolfgang; Ungur, Liviu; Chibotaru, Liviu F.; Hermann, Markus; Frenking, Gernot","Stabilization of a cobalt-cobalt bond by two cyclic alkyl amino carbenes.","Journal of the American Chemical Society","2014","136","5","1770","1773","10.1021/ja4123285","","","0.71073","MoKα","","0.0324","0.027","","","0.0581","0.0594","","","","","","1.03","","","","has coordinates,has disorder","178982","2020-10-21","18:00:00",""
"4120587","10.1948","0.001","11.7506","0.0011","21.0907","0.0017","90","","90","","90","","2526.6","0.4","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","js11nov13","","","- C23 H38 N3 O6 -","- C23 H38 N3 O6 -","- C92 H152 N12 O24 -","4","1","","Carney, Daniel W.; Schmitz, Karl R.; Truong, Jonathan V.; Sauer, Robert T.; Sello, Jason K.","Restriction of the conformational dynamics of the cyclic acyldepsipeptide antibiotics improves their antibacterial activity.","Journal of the American Chemical Society","2014","136","5","1922","1929","10.1021/ja410385c","","","0.71073","","","0.0706","0.0577","","","0.1464","0.155","","","","","","1.031","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120588","10.083","0.017","11.513","0.019","20.46","0.03","90","","90","","90","","2375","7","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","js30jun11","","","- C21 H34 N3 O6 -","- C21 H34 N3 O6 -","- C84 H136 N12 O24 -","4","1","","Carney, Daniel W.; Schmitz, Karl R.; Truong, Jonathan V.; Sauer, Robert T.; Sello, Jason K.","Restriction of the conformational dynamics of the cyclic acyldepsipeptide antibiotics improves their antibacterial activity.","Journal of the American Chemical Society","2014","136","5","1922","1929","10.1021/ja410385c","","","0.71073","","","0.085","0.0711","","","0.1678","0.1825","","","","","","1.046","","","","has coordinates","178982","2020-10-21","18:00:00",""
"4120601","9.5866","0.0007","14.8453","0.0011","14.9574","0.0011","90","","90","","90","","2128.7","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(PPL)CoCoCl","","","- C21 H24 Cl Co2 N7 -","- C21 H24 Cl Co2 N7 -","- C84 H96 Cl4 Co8 N28 -","4","1","","Tereniak, Stephen J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Bill, Eckhard; Maurice, Rémi; Chen, Yu-Sheng; Kim, Hyun Jung; Gagliardi, Laura; Lu, Connie C.","Role of the metal in the bonding and properties of bimetallic complexes involving manganese, iron, and cobalt.","Journal of the American Chemical Society","2014","136","5","1842","1855","10.1021/ja409016w","","","0.71073","MoKα","","0.0196","0.0186","","","0.0477","0.0483","","","","","","1.009","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120623","7.7727","0.0004","10.1494","0.0006","24.4112","0.0014","90","","90","","90","","1925.76","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CS-16069","hartwig45","","- C24 H22 Br N -","- C24 H22 Br N -","- C96 H88 Br4 N4 -","4","1","","Sevov, Christo S.; Zhou, Jianrong Steve; Hartwig, John F.","Iridium-Catalyzed, Intermolecular Hydroamination of Unactivated Alkenes with Indoles.","Journal of the American Chemical Society","2014","136","8","3200","","10.1021/ja412116d","","","0.71073","MoKα","","0.021","0.0194","","","0.0469","0.0477","","","","","","1.077","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4120625","6.6931","0.0009","18.67","0.002","18.714","0.002","90","","90","","90","","2338.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O2 S -","- C28 H30 N2 O2 S -","- C112 H120 N8 O8 S4 -","4","1","","Lee, Kiyoun; Boger, Dale L.","Total Syntheses of (-)-Kopsifoline D and (-)-Deoxoapodine: Divergent Total Synthesis via Late-Stage Key Strategic Bond Formation.","Journal of the American Chemical Society","2014","136","8","3312","","10.1021/ja500548e","","","0.71073","MoKα","","0.2126","0.0641","","","0.1202","0.1855","","","","","","0.856","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120626","7.7075","0.0003","12.7478","0.0006","25.5515","0.0011","90","","90","","90","","2510.53","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H0 N2 O4 -","- C29 H32 N2 O7 -","- C116 H128 N8 O28 -","4","1","","Lee, Kiyoun; Boger, Dale L.","Total Syntheses of (-)-Kopsifoline D and (-)-Deoxoapodine: Divergent Total Synthesis via Late-Stage Key Strategic Bond Formation.","Journal of the American Chemical Society","2014","136","8","3312","","10.1021/ja500548e","","","1.54178","CuKα","","0.0377","0.0366","","","0.0966","0.0976","","","","","","1.058","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120640","11.3753","0.0002","14.52","0.0002","17.6399","0.0003","90","","90","","90","","2913.57","0.08","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 Fe O3 P -","- C34 H41 Fe O3 P -","- C136 H164 Fe4 O12 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0455","0.0423","","","0.1","0.1034","","","","","","1.082","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120642","10.092","0.0002","15.3552","0.0003","16.1914","0.0003","90","","90","","90","","2509.1","0.08","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Fe P -","- C30 H33 Fe P -","- C120 H132 Fe4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0476","0.044","","","0.107","0.1115","","","","","","1.098","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120643","8.8458","0.0002","20.3854","0.0003","24.0753","0.0006","90","","90","","90","","4341.38","0.16","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H46 B F10 Fe P -","- C47 H46 B F10 Fe P -","- C188 H184 B4 F40 Fe4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.1194","0.084","","","0.1447","0.1666","","","","","","1.159","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120644","8.8713","0.0002","9.5648","0.0001","49.7807","0.0007","90","","90","","90","","4224","0.12","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H39 B F10 Fe N P -","- C47 H39 B F10 Fe N P -","- C188 H156 B4 F40 Fe4 N4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0737","0.0586","","","0.1278","0.1394","","","","","","1.045","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120645","9.9126","0.0001","26.8254","0.0003","49.04","0.0006","90","","90","","90","","13040.2","0.3","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H43 B F10 Fe N P -","- C47 H43 B F10 Fe N P -","- C564 H516 B12 F120 Fe12 N12 P12 -","12","3","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.1361","0.0817","","","0.1459","0.1747","","","","","","1.054","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120646","11.5309","0.0001","18.6255","0.0002","23.0996","0.0004","90","","90","","90","","4961.07","0.11","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H50 B F10 Fe P -","- C58 H50 B F10 Fe P -","- C232 H200 B4 F40 Fe4 P4 -","4","1","","Wang, Xiaowu; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Internal Adduct Formation of Active Intramolecular C4-bridged Frustrated Phosphane/Borane Lewis Pairs.","Journal of the American Chemical Society","2014","136","8","3293","","10.1021/ja413060u","","","0.71073","MoKα","","0.0692","0.0594","","","0.1194","0.1276","","","","","","1.062","","","","has coordinates,has disorder","178983","2020-10-21","18:00:00",""
"4120667","10.136","0.0006","10.9801","0.0009","25.322","0.002","90","","90","","90","","2818.2","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Al Cl2 N2 O2 -","- C29 H39 Al Cl2 N2 O2 -","- C116 H156 Al4 Cl8 N8 O8 -","4","1","","Pilone, Alessia; Press, Konstantin; Goldberg, Israel; Kol, Moshe; Mazzeo, Mina; Lamberti, Marina","Gradient Isotactic Multiblock Polylactides from Aluminum Complexes of Chiral Salalen Ligands.","Journal of the American Chemical Society","2014","136","8","2940","","10.1021/ja412798x","","","0.71073","MoKα","","0.0521","0.0449","","","0.1134","0.1196","","","","","","1.032","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120686","9.7484","0.0007","19.9815","0.0015","25.907","0.0019","90","","90","","90","","5046.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H55 Cl O2 P2 Pd -","- C59 H55 Cl O2 P2 Pd -","- C236 H220 Cl4 O8 P8 Pd4 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.0349","0.0311","","","0.0744","0.0761","","","","","","1.036","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120687","7.5337","0.0013","17.205","0.003","27.444","0.005","90","","90","","90","","3557.2","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H38 O2 P2 -","- C44 H38 O2 P2 -","- C176 H152 O8 P8 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.0597","0.0436","","","0.0949","0.1029","","","","","","0.998","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120688","9.4609","0.0007","21.4594","0.0017","22.4518","0.0017","90","","90","","90","","4558.3","0.6","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H47 Br Cl4 O2 P2 Pd -","- C49 H47 Br Cl4 O2 P2 Pd -","- C196 H188 Br4 Cl16 O8 P8 Pd4 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.057","0.0436","","","0.1023","0.1082","","","","","","1.008","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120689","9.2918","0.0008","20.1508","0.0017","25.42","0.002","90","","90","","90","","4759.6","0.7","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cl2 O2 P2 Pd -","- C58 H54 Cl2 O2 P2 Pd -","- C232 H216 Cl8 O8 P8 Pd4 -","4","1","","Wang, Xiaoming; Guo, Peihua; Han, Zhaobin; Wang, Xubin; Wang, Zheng; Ding, Kuiling","Spiroketal-based diphosphine ligands in pd-catalyzed asymmetric allylic amination of morita-baylis-hillman adducts: exceptionally high efficiency and new mechanism.","Journal of the American Chemical Society","2014","136","1","405","411","10.1021/ja410707q","","","0.71073","MoKα","","0.0297","0.0258","","","0.0599","0.0621","","","","","","1.015","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120693","4.3886","0.0001","13.3722","0.0003","15.5729","0.0004","90","","90","","90","","913.9","0.04","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 Cu N2 O3 -","- C10 H8 Cu N2 O3 -","- C40 H32 Cu4 N8 O12 -","4","1","","Zhang, Teng; Wang, Cheng; Liu, Shubin; Wang, Jin-Liang; Lin, Wenbin","A biomimetic copper water oxidation catalyst with low overpotential.","Journal of the American Chemical Society","2014","136","1","273","281","10.1021/ja409267p","","","1.54178","CuKα","","0.0414","0.0386","","","0.1115","0.1154","","","","","","0.992","","","","has coordinates","178983","2020-10-21","18:00:00",""
"4120695","7.1722","0.0018","11.364","0.003","13.998","0.004","90","","90","","90","","1140.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ba3 Br O10 P3 -","- Ba3 Br O10 P3 -","- Ba12 Br4 O40 P12 -","4","1","","Yu, Peng; Wu, Li-Ming; Zhou, Liu-Jiang; Chen, Ling","Deep-Ultraviolet Nonlinear Optical Crystals: Ba3P3O10X (X = Cl, Br).","Journal of the American Chemical Society","2014","136","1","480","487","10.1021/ja411272y","","","0.71073","MoKα","","0.0329","0.0328","","","0.0707","0.0708","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120739","11.8834","0.0013","12.5642","0.0013","22.928","0.002","90","","90","","90","","3423.3","0.6","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H57 N3 O Si6 U -","- C19 H57 N3 O Si6 U -","- C76 H228 N12 O4 Si24 U4 -","4","1","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Stable Uranium(VI) Methyl and Acetylide Complexes and the Elucidation of an Inverse Trans Influence Ligand Series","Journal of the American Chemical Society","2013","135","","13185","13192","10.1021/ja406610r","","","0.71073","MoKα","","0.0182","0.0156","","","0.0356","0.0366","","","","","","1.058","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120742","7.5855","0.0007","8.6501","0.001","25.042","0.003","90","","90","","90","","1643.1","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Yongbing Liu; Haifeng Du","Metal-Free Borane-Catalyzed Highly Stereoselective Hydrogenation of Pyridines","Journal of the American Chemical Society","2013","135","","12968","12971","10.1021/ja406761j","","","0.71073","MoKα","","0.0475","0.0456","","","0.1242","0.1255","","","","","","1.195","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120754","5.385","0.0007","11.9124","0.0012","15.931","0.002","90","","90","","90","","1021.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 Br2 O -","- C9 H10 Br2 O -","- C36 H40 Br8 O4 -","4","1","","Dennis X. Hu; Grant M. Shibuya; Noah Z. Burns","Catalytic Enantioselective Dibromination of Allylic Alcohols","Journal of the American Chemical Society","2013","135","","12960","12963","10.1021/ja4083182","","","0.71073","","","0.0286","0.0241","","","0.0499","0.0512","","","","","","1.066","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120808","9.0103","0.0002","14.1379","0.0002","39.4878","0.0009","90","","90","","90","","5030.22","0.18","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H56 N6 O4 -","- C61 H56 N6 O4 -","- C244 H224 N24 O16 -","4","1","","Kenji Mishiro; Takumi Furuta; Takahiro Sasamori; Kazuhiro Hayashi; Norihiro Tokitoh; Shiroh Futaki; Takeo Kawabata","A Cyclochiral Conformational Motif Constructed Using a Robust Hydrogen-Bonding Network","Journal of the American Chemical Society","2013","135","","13644","13647","10.1021/ja407051k","","","0.71069","MoKα","","0.1307","0.0539","","","0.0922","0.1154","","","","","","1.012","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120863","5.7421","0.0003","7.5441","0.0004","31.6321","0.0016","90","","90","","90","","1370.27","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N -","- C16 H18 Cl N -","- C64 H72 Cl4 N4 -","4","1","","Aaron D. Lackner; Andrew V. Samant; F. Dean Toste","Single-Operation Deracemization of 3H-Indolines and Tetrahydroquinolines Enabled by Phase Separation","Journal of the American Chemical Society","2013","135","","14090","14093","10.1021/ja4082827","","","1.54178","CuKα","","0.0325","0.0304","","","0.0737","0.0746","","","","","","1.121","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120864","10.142","0.002","11.748","0.002","15.056","0.003","90","","90","","90","","1793.9","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 B Cl2 O2 P -","- C16 H18 B Cl2 O2 P -","- C64 H72 B4 Cl8 O8 P4 -","4","1","","Qing-Qing Cheng; Shou-Fei Zhu; Yong-Zhen Zhang; Xiu-Lan Xie; Qi-Lin Zhou","Copper-Catalyzed B-H Bond Insertion Reaction: A Highly Efficient and Enantioselective C-B Bond-Forming Reaction with Amine-Borane and Phosphine-Borane Adducts","Journal of the American Chemical Society","2013","135","","14094","14097","10.1021/ja408306a","","","0.71073","MoKα","","0.0479","0.0368","","","0.0698","0.0753","","","","","","0.966","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120893","8.4539","0.0001","10.1172","0.0001","17.3198","0.0002","90","","90","","90","","1481.36","0.03","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","1","","Arvind Jaganathan; Richard J. Staples; Babak Borhan","Kinetic Resolution of Unsaturated Amides in a Chlorocyclization Reaction: Concomitant Enantiomer Differentiation and Face Selective Alkene Chlorination by a Single Catalyst","Journal of the American Chemical Society","2013","135","","14806","14813","10.1021/ja407241d","","x-ray","1.54178","CuKα","","0.0259","0.0256","","","0.0641","0.0643","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120894","5.0927","0.0002","10.4944","0.0003","26.6942","0.0008","90","","90","","90","","1426.67","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","1","","Arvind Jaganathan; Richard J. Staples; Babak Borhan","Kinetic Resolution of Unsaturated Amides in a Chlorocyclization Reaction: Concomitant Enantiomer Differentiation and Face Selective Alkene Chlorination by a Single Catalyst","Journal of the American Chemical Society","2013","135","","14806","14813","10.1021/ja407241d","","x-ray","1.54178","CuKα","","0.0379","0.0331","","","0.0728","0.075","","","","","","0.994","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120901","11.308","0.011","14.627","0.014","18.67","0.018","90","","90","","90","","3088","5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 F6 Fe N4 O8 S2 -","- C24 H30 F6 Fe N4 O8 S2 -","- C96 H120 F24 Fe4 N16 O32 S8 -","4","1","","Olaf Cussó; Isaac Garcia-Bosch; Xavi Ribas; Julio Lloret-Fillol; Miquel Costas","Asymmetric Epoxidation with H2O2 by Manipulating the Electronic Properties of Non-heme Iron Catalysts","Journal of the American Chemical Society","2013","135","","14871","14878","10.1021/ja4078446","","","0.71073","MoKα","","0.0288","0.0267","","","0.0638","0.065","","","","","","1.06","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120943","10.7683","0.0006","19.845","0.0012","22.5472","0.0012","90","","90","","90","","4818.3","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H88 N3 Ni Si2 -","- C46 H88 N3 Ni Si2 -","- C184 H352 N12 Ni4 Si8 -","4","1","","Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley","A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition","Journal of the American Chemical Society","2013","135","","15298","15301","10.1021/ja408151h","","","0.71073","MoKα","","0.0526","0.0364","","","0.0625","0.0673","","","","","","1.037","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120950","9.81931","0.00018","10.04597","0.00018","39.4865","0.0007","90","","90","","90","","3895.13","0.12","103","","103","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 Br N8 P -","- C43 H48 Br N8 P -","- C172 H192 Br4 N32 P4 -","4","1","","Tadahiro Takeda; Masahiro Terada","Development of a Chiral Bis(guanidino)iminophosphorane as an Uncharged Organosuperbase for the Enantioselective Amination of Ketones","Journal of the American Chemical Society","2013","135","","15306","15309","10.1021/ja408296h","","","1.54187","CuKα","","","0.0342","","","","0.0903","","","","","","1.014","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120951","6.43119","0.00019","11.1622","0.0004","16.6648","0.0006","90","","90","","90","","1196.3","0.07","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Br N2 O -","- C11 H15 Br N2 O -","- C44 H60 Br4 N8 O4 -","4","1","","Tadahiro Takeda; Masahiro Terada","Development of a Chiral Bis(guanidino)iminophosphorane as an Uncharged Organosuperbase for the Enantioselective Amination of Ketones","Journal of the American Chemical Society","2013","135","","15306","15309","10.1021/ja408296h","","","1.54187","CuKα","","","0.0219","","","","0.0535","","","","","","1.088","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120953","21.5465","0.001","21.5973","0.001","23.2708","0.0011","90","","90","","90","","10829","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","tBuP2BH2CoH2","","","- C24 H48 B Co N2 P2 -","- C24 H44 B Co N2 P2 -","- C384 H704 B16 Co16 N32 P32 -","16","4","","Tzu-Pin Lin; Jonas C. Peters","Boryl-Mediated Reversible H2 Activation at Cobalt: Catalytic Hydrogenation, Dehydrogenation, and Transfer Hydrogenation","Journal of the American Chemical Society","2013","135","","15310","15313","10.1021/ja408397v","","","0.71073","MoKα","","0.0805","0.0654","","","0.1606","0.1678","","","","","","1.008","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120972","6.6643","0.0018","8.344","0.002","23.072","0.006","90","","90","","90","","1283","0.6","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 I O2 -","- C16 H9 I O2 -","- C64 H36 I4 O8 -","4","1","","Pascal Nösel; Laura Nunes dos Santos Comprido; Tobias Lauterbach; Matthias Rudolph; Frank Rominger; A. Stephen K. Hashmi","1,6-Carbene Transfer: Gold-Catalyzed Oxidative Diyne Cyclizations","Journal of the American Chemical Society","2013","135","","15662","15666","10.1021/ja4085385","","","0.71073","MoKα","","0.0445","0.0335","","","0.0722","0.0748","","","","","","0.999","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120980","13.119","0.0006","15.2041","0.0007","18.3188","0.0009","90","","90","","90","","3653.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 B2 F8 P2 Pd2 -","- C37 H48 B2 F8 P2 Pd2 -","- C148 H192 B8 F32 P8 Pd8 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0308","0.025","","","0.0421","0.0429","","","","","","1.558","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4121011","10.177","0.004","14.588","0.005","15.114","0.006","90","","90","","90","","2243.9","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl4 N Si -","- C20 H31 Cl4 N Si -","- C80 H124 Cl16 N4 Si4 -","4","1","","Kartik Chandra Mondal; Herbert W. Roesky; Birger Dittrich; Nicole Holzmann; Markus Hermann; Gernot Frenking; Alke Meents","Formation of a 1,4-Diamino-2,3-disila-1,3-butadiene Derivative","Journal of the American Chemical Society","2013","135","","15990","15993","10.1021/ja4072139","","","0.6358","synchrotron","","0.0348","0.0346","","","0.0917","0.0919","","","","","","1.059","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121086","5.4258","0.0001","8.1817","0.0001","43.389","0.003","90","","90","","90","","1926.14","0.14","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C100 H104 O8 -","4","1","","Hien-Quang Do; E. R. R. Chandrashekar; Gregory C. Fu","Nickel/Bis(oxazoline)-Catalyzed Asymmetric Negishi Arylations of Racemic Secondary Benzylic Electrophiles to Generate Enantioenriched 1,1-Diarylalkanes","Journal of the American Chemical Society","2013","135","","16288","16291","10.1021/ja408561b","","","1.54178","CuKα","","0.036","0.0352","","","0.0945","0.0949","","","","","","1.144","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121102","15.4882","0.0008","19.7919","0.0011","24.4546","0.0014","90","","90","","90","","7496.3","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H98 Li6 N8 -","- C66 H98 Li6 N8 -","- C264 H392 Li24 N32 -","4","1","","Yun Ma; Craig E. Stivala; Ashley M. Wright; Trevor Hayton; Jun Liang; Ivan Keresztes; Emil Lobkovsky; David B. Collum; Armen Zakarian","Enediolate-Dilithium Amide Mixed Aggregates in the Enantioselective Alkylation of Arylacetic Acids: Structural Studies and a Stereochemical Model","Journal of the American Chemical Society","2013","135","","16853","16864","10.1021/ja403076u","","","0.71073","MoKα","","0.0624","0.0419","","","0.095","0.0995","","","","","","0.89","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121103","21.1765","0.0015","23.7194","0.0017","24.744","0.002","90","","90","","90","","12428.8","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C90 H128 Li8 N8 O8 -","- C90 H128 Li8 N8 O8 -","- C360 H512 Li32 N32 O32 -","4","1","","Yun Ma; Craig E. Stivala; Ashley M. Wright; Trevor Hayton; Jun Liang; Ivan Keresztes; Emil Lobkovsky; David B. Collum; Armen Zakarian","Enediolate-Dilithium Amide Mixed Aggregates in the Enantioselective Alkylation of Arylacetic Acids: Structural Studies and a Stereochemical Model","Journal of the American Chemical Society","2013","135","","16853","16864","10.1021/ja403076u","","","0.71073","MoKα","","0.1206","0.0689","","","0.1657","0.1836","","","","","","0.893","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121125","9.1424","0.0006","11.0497","0.0005","13.7839","0.0011","90","","90","","90","","1392.46","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C40 H40 S24 -","4","1","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.0795","0.0508","","","0.088","0.1027","","","","","","1.214","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121126","9.1575","0.0013","11.0492","0.0011","13.757","0.002","90","","90","","90","","1392","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C40 H40 S24 -","4","1","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.1175","0.0765","","","0.1879","0.2135","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121136","9.5086","0.0005","13.1544","0.0007","25.8691","0.0014","90","","90","","90","","3235.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H27 N5 O2 Pd -","- C39 H27 N5 O2 Pd -","- C156 H108 N20 O8 Pd4 -","4","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.0294","0.0294","","","0.0842","0.0842","","","","","","1.182","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121187","11.871","0.003","13.179","0.003","21.761","0.005","90","","90","","90","","3404.5","1.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Br O2 -","- C19 H21 Br O2 -","- C152 H168 Br8 O16 -","8","2","","Wen-Bo Liu; Corey M. Reeves; Brian M. Stoltz","Enantio-, Diastereo-, and Regioselective Iridium-Catalyzed Asymmetric Allylic Alkylation of Acyclic β-Ketoesters","Journal of the American Chemical Society","2013","135","","17298","17301","10.1021/ja4097829","","","0.71073","MoKα","","0.0967","0.0549","","","0.1052","0.1137","","","","","","1.307","","","","has coordinates,has Fobs","179013","2020-10-21","18:00:00",""
"4121198","8.5797","0.0003","10.7318","0.0004","12.1582","0.0005","90","","90","","90","","1119.47","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Cr O3 -","- C13 H10 Cr O3 -","- C52 H40 Cr4 O12 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.025","0.0229","","","0.0624","0.0637","","","","","","1.053","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121199","8.5819","0.0003","10.7371","0.0004","12.1553","0.0005","90","","90","","90","","1120.05","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Cr O3 -","- C13 H10 Cr O3 -","- C52 H40 Cr4 O12 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0282","0.0247","","","0.0675","0.0694","","","","","","1.053","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121230","8.4499","0.0004","10.619","0.0007","21.3899","0.001","90","","90","","90","","1919.3","0.18","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Robert J. Sharpe; Justin T. Malinowski; Jeffrey S. Johnson","Asymmetric Synthesis of the Aminocyclitol Pactamycin, a Universal Translocation Inhibitor","Journal of the American Chemical Society","2013","135","","17990","17998","10.1021/ja409944u","","","1.54178","CuKα","","0.047","0.0417","","","0.1031","0.1082","","","","","","1.043","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121244","8.1378","0.0002","14.7951","0.0005","27.4098","0.0009","90","","90","","90","","3300.13","0.18","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C160 H160 O24 -","8","2","","Zhongxing Huang; Guangbin Dong","Catalytic Direct β-Arylation of Simple Ketones with Aryl Iodides","Journal of the American Chemical Society","2013","135","","17747","17750","10.1021/ja410389a","","","0.71073","MoKα","","0.0573","0.0422","","","0.0983","0.1059","","","","","","1.003","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121302","6.6143","0.0006","16.613","0.0015","20.6633","0.0019","90","","90","","90","","2270.6","0.4","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 F6 N2 O2 P Ru S -","- C19 H23 F6 N2 O2 P Ru S -","- C76 H92 F24 N8 O8 P4 Ru4 S4 -","4","1","","Barry M. Trost; Meera Rao; André P. Dieskau","A Chiral Sulfoxide-Ligated Ruthenium Complex for Asymmetric Catalysis: Enantio- and Regioselective Allylic Substitution","Journal of the American Chemical Society","2013","135","","18697","18704","10.1021/ja411310w","","","0.71073","MoKα","","0.0281","0.0258","","","0.0571","0.0592","","","","","","1.066","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121305","10.1591","0.0005","11.2991","0.0005","16.6717","0.0007","90","","90","","90","","1913.72","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Co F6 P -","- C21 H18 Co F6 P -","- C84 H72 Co4 F24 P4 -","4","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0633","0.0532","","","0.1266","0.1324","","","","","","1.068","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121314","11.2391","0.0005","26.7837","0.0014","35.8843","0.0017","90","","90","","90","","10802.1","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C104 H114 Cl2 Co2 N12 O4 -","- C104 H114 Cl2 Co2 N12 O4 -","- C416 H456 Cl8 Co8 N48 O16 -","4","1","","Syud M. Ahmed; Albert Poater; M. Ian Childers; Peter C. B. Widger; Anne M. LaPointe; Emil B. Lobkovsky; Geoffrey W. Coates; Luigi Cavallo","Enantioselective Polymerization of Epoxides Using Biaryl-Linked Bimetallic Cobalt Catalysts: A Mechanistic Study","Journal of the American Chemical Society","2013","135","","18901","18911","10.1021/ja409521z","","","0.71073","MoKα","","0.0854","0.0559","","","0.127","0.1386","","","","","","0.98","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121322","8.7189","0.0008","10.0982","0.0009","27.516","0.003","90","","90","","90","","2422.7","0.4","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 B10 Si -","- C19 H36 B10 Si -","- C76 H144 B40 Si4 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.0444","0.0404","","","0.1086","0.1117","","","","","","1.033","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121328","40.858","0.002","6.6959","0.0003","9.2019","0.0005","90","","90","","90","","2517.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H40 B10 Si2 -","- C16 H40 B10 Si2 -","- C64 H160 B40 Si8 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.0755","0.0645","","","0.1816","0.1928","","","","","","1.094","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121349","15.6632","0.0007","19.7465","0.0009","26.1329","0.0013","90","","90","","90","","8082.7","0.7","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C92 H95 Ce Li3 O17 -","- C92 H95 Ce Li3 O17 -","- C368 H380 Ce4 Li12 O68 -","4","1","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0769","0.0476","","","0.1007","0.1123","","","","","","1.044","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121352","15.5152","0.0014","21.337","0.002","26.22","0.003","90","","90","","90","","8680.1","1.5","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C99 H103 Ce Li3 O15 P -","- C99 H103 Ce Li3 O15 P -","- C396 H412 Ce4 Li12 O60 P4 -","4","1","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0382","0.0325","","","0.0823","0.0864","","","","","","1.053","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121369","6.4319","0.0016","16.382","0.004","27.793","0.007","90","","90","","90","","2928.5","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O5 S -","- C32 H38 N2 O5 S -","- C128 H152 N8 O20 S4 -","4","1","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71075","MoKα","","0.1421","0.0933","","","0.2105","0.2481","","","","","","1.035","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121370","6.493","0.002","16.778","0.006","30.179","0.011","90","","90","","90","","3288","2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H41 N2 O5 S -","- C36 H40 N2 O5 S -","- C144 H160 N8 O20 S4 -","4","1","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71075","MoKα","","0.1011","0.0784","","","0.1907","0.2145","","","","","","1.016","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121397","8.05042","0.00013","14.5426","0.0002","15.2311","0.0003","90","","90","","90","","1783.17","0.05","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Zhengren Xu; Qian Wang; Jieping Zhu","Enantioselective Total Syntheses of Leuconolam-Leuconoxine-Mersicarpine Group Monoterpene Indole Alkaloids","Journal of the American Chemical Society","2013","135","","19127","19130","10.1021/ja4115192","","","1.54178","CuKα","","0.0305","0.0304","","","0.079","0.0794","","","","","","1.068","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121407","6.1661","0.0004","15.0421","0.0009","29.201","0.0017","90","","90","","90","","2708.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N4 O9 -","- C27 H33 N4 O9 -","- C108 H132 N16 O36 -","4","1","","Parker, Matthew F. L.; Osuna, Sílvia; Bollot, Guillaume; Vaddypally, Shivaiah; Zdilla, Michael J.; Houk, K. N.; Schafmeister, Christian E.","Acceleration of an Aromatic Claisen Rearrangement via a Designed Spiroligozyme Catalyst that Mimics the Ketosteroid Isomerase Catalytic Dyad.","Journal of the American Chemical Society","2014","136","10","3817","3827","10.1021/ja409214c","","","0.71073","MoKα","","0.0436","0.0364","","","0.0836","0.0875","","","","","","1.016","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121418","5.6723","0.0005","12.279","0.001","16.043","0.0013","90","","90","","90","","1117.4","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Wu, Hao; Haeffner, Fredrik; Hoveyda, Amir H.","An efficient, practical, and enantioselective method for synthesis of homoallenylamides catalyzed by an aminoalcohol-derived, boron-based catalyst.","Journal of the American Chemical Society","2014","136","10","3780","3783","10.1021/ja500374p","","","1.54178","CuKα","","0.0297","0.0284","","","0.069","0.0699","","","","","","1.07","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121427","5.6284","0.0005","15.5917","0.0015","18.8291","0.0018","90","","90","","90","","1652.4","0.3","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F3 N O -","- C20 H18 F3 N O -","- C80 H72 F12 N4 O4 -","4","1","","Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles.","Journal of the American Chemical Society","2014","136","10","3744","3747","10.1021/ja412706d","","","0.71073","MoKα","","0.0441","0.0345","","","0.0785","0.0834","","","","","","1.067","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121451","6.5811","0.0011","7.0763","0.0012","33.062","0.006","90","","90","","90","","1539.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O3 -","- C17 H16 Cl N O3 -","- C68 H64 Cl4 N4 O12 -","4","1","","Teng, Huai-Long; Yao, Lu; Wang, Chun-Jiang","Cu(I)-Catalyzed Regio- and Stereoselective [6 + 3] Cycloaddition of Azomethine Ylides with Tropone: An Efficient Asymmetric Access to Bridged Azabicyclo[4.3.1]decadienes.","Journal of the American Chemical Society","2014","136","10","4075","4080","10.1021/ja500878c","","","0.71073","MoKα","","0.044","0.0359","","","0.0757","0.0805","","","","","","0.995","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121455","4.9531","0.0001","12.3326","0.0003","29.4659","0.0007","90","","90","","90","","1799.91","0.07","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Cong, Huan; Fu, Gregory C.","Catalytic enantioselective cyclization/cross-coupling with alkyl electrophiles.","Journal of the American Chemical Society","2014","136","10","3788","3791","10.1021/ja500706v","","","1.54178","CuKα","","0.0249","0.0244","","","0.0617","0.0627","","","","","","1.053","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121456","7.5438","0.0006","10.6784","0.0009","32.488","0.003","90","","90","","90","","2617.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Br O4 -","- C29 H35 Br O4 -","- C116 H140 Br4 O16 -","4","1","","Oblak, E. Zachary; Vanheyst, Michael D.; Li, Jin; Wiemer, Andrew J.; Wright, Dennis L.","Cyclopropene cycloadditions with annulated furans: total synthesis of (+)- and (-)-frondosin B and (+)-frondosin a.","Journal of the American Chemical Society","2014","136","11","4309","4315","10.1021/ja413106t","","","1.54178","CuKα","","0.029","0.0283","","","0.0731","0.0737","","","","","","1.028","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121472","6.062","0.0005","12.0849","0.001","48.626","0.004","90","","90","","90","","3562.3","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 N2 O3 S -","- C38 H60 N2 O3 S -","- C152 H240 N8 O12 S4 -","4","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.1638","0.0737","","","0.1326","0.1749","","","","","","0.953","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121473","7.3922","0.0005","13.9405","0.0008","34.054","0.002","90","","90","","90","","3509.3","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 N2 O3 S -","- C38 H60 N2 O3 S -","- C152 H240 N8 O12 S4 -","4","1","","Kang, Taek; Kim, Youngchan; Lee, Donggun; Wang, Zhen; Chang, Sukbok","Iridium-Catalyzed Intermolecular Amidation of sp(3) C-H Bonds: Late-Stage Functionalization of an Unactivated Methyl Group.","Journal of the American Chemical Society","2014","136","11","4141","4144","10.1021/ja501014b","","","0.71073","MoKα","","0.1115","0.0554","","","0.1229","0.1669","","","","","","0.986","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4121484","18.4583","0.0015","18.8093","0.0015","26.944","0.002","90","","90","","90","","9354.6","1.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","CS-14145","hartwig33","","- C96 H81 Cl2 Ir2 N O11 P4 -","- C96 H81 Cl2 Ir2 N O11 P4 -","- C384 H324 Cl8 Ir8 N4 O44 P16 -","4","1","","Sevov, Christo S.; Zhou, Jianrong Steve; Hartwig, John F.","Iridium-Catalyzed, Intermolecular Hydroamination of Unactivated Alkenes with Indoles.","Journal of the American Chemical Society","2014","136","8","3200","","10.1021/ja412116d","","","0.71073","MoKα","","0.0485","0.0391","","","0.077","0.0803","","","","","","1.064","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121518","8.6924","0.0006","8.9976","0.0006","29.0972","0.0018","90","","90","","90","","2275.7","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O5 Si -","- C23 H38 O5 Si -","- C92 H152 O20 Si4 -","4","1","","Abbasov, Mikail E.; Hudson, Brandi M.; Tantillo, Dean J.; Romo, Daniel","Acylammonium salts as dienophiles in diels-alder/lactonization organocascades.","Journal of the American Chemical Society","2014","136","12","4492","4495","10.1021/ja501005g","","","1.54178","CuKα","","0.0322","0.0299","","","0.0708","0.0715","","","","","","1.044","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121527","8.0386","0.0016","9.6277","0.0019","24.585","0.005","90","","90","","90","","1902.7","0.7","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br N2 O -","- C20 H23 Br N2 O -","- C80 H92 Br4 N8 O4 -","4","1","","West, Thomas H.; Daniels, David S. B.; Slawin, Alexandra M. Z.; Smith, Andrew D.","An isothiourea-catalyzed asymmetric [2,3]-rearrangement of allylic ammonium ylides.","Journal of the American Chemical Society","2014","136","12","4476","4479","10.1021/ja500758n","","","0.71075","MoKα","","","0.0257","","","","0.0623","","","","","","0.867","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121528","14.4757","0.0004","16.3546","0.0005","16.9708","0.0004","90","","90","","90","","4017.74","0.19","130","2","130","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 F6 Ni2 P4 -","- C34 H64 F6 Ni2 P4 -","- C136 H256 F24 Ni8 P16 -","4","1","","Arévalo, Alma; Tlahuext-Aca, Adrian; Flores-Alamo, Marcos; García, Juventino J","On the catalytic hydrodefluorination of fluoroaromatics using nickel complexes: the true role of the phosphine.","Journal of the American Chemical Society","2014","136","12","4634","4639","10.1021/ja412268y","","x-ray","0.71073","MoKα","","0.0366","0.0306","","","0.0631","0.0666","","","","","","1.044","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121540","9.6818","0.0008","12.2527","0.0011","23.0758","0.0019","90","","90","","90","","2737.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Br P -","- C34 H38 Br P -","- C136 H152 Br4 P4 -","4","1","","Zhu, Ye; Buchwald, Stephen L.","Ligand-Controlled Asymmetric Arylation of Aliphatic α-Amino Anion Equivalents.","Journal of the American Chemical Society","2014","136","12","4500","4503","10.1021/ja501560x","","","0.71073","MoKα","","0.0291","0.0264","","","0.0693","0.0702","","","","","","1.057","","","","has coordinates","179017","2020-10-21","18:00:00",""
"4121564","6.7606","0.0004","10.0156","0.0005","54.297","0.003","90","","90","","90","","3676.5","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH-194-2","maimone23","","- C20 H28 O5 -","- C20 H28 O5 -","- C160 H224 O40 -","8","2","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0576","0.0571","","","0.1278","0.1281","","","","","","1.179","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121565","6.4231","0.0005","13.8311","0.0009","20.3077","0.0014","90","","90","","90","","1804.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH_54_SPS","maimone15","","- C20 H28 O6 -","- C20 H28 O6 -","- C80 H112 O24 -","4","1","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0725","0.0714","","","0.1882","0.1901","","","","","","1.104","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4121566","6.4066","0.0003","12.6083","0.0006","22.0227","0.0011","90","","90","","90","","1778.91","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH_NP_1","maimone18","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0392","0.0388","","","0.1028","0.1032","","","","","","1.045","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121567","6.81","0.0003","9.9666","0.0004","27.5837","0.0012","90","","90","","90","","1872.18","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","XH-211-3","maimone24","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Hu, Xirui; Maimone, Thomas J.","Four-Step Synthesis of the Antimalarial Cardamom Peroxide via an Oxygen Stitching Strategy.","Journal of the American Chemical Society","2014","136","14","5287","5290","10.1021/ja502208z","","","1.54178","CuKα","","0.0377","0.0364","","","0.0951","0.0963","","","","","","1.037","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121569","6.1659","0.0002","9.8138","0.0003","18.5821","0.0005","90","","90","","90","","1124.42","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","YXY3-45-1","toste92","","- C12 H12 F I O -","- C12 H12 F I O -","- C48 H48 F4 I4 O4 -","4","1","","Yang, Xiaoyu; Phipps, Robert J.; Toste, F. Dean","Asymmetric Fluorination of α-Branched Cyclohexanones Enabled by a Combination of Chiral Anion Phase-Transfer Catalysis and Enamine Catalysis using Protected Amino Acids.","Journal of the American Chemical Society","2014","136","14","5225","5228","10.1021/ja500882x","","","0.71073","MoKα","","0.0153","0.0145","","","0.0276","0.0278","","","","","","1.102","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121570","5.8949","0.0001","15.2807","0.0003","17.2167","0.0012","90","","90","","90","","1550.85","0.12","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 F O -","- C21 H17 F O -","- C84 H68 F4 O4 -","4","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","1.54187","CuKα","","0.0258","0.0252","","","0.0621","0.0626","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121574","5.8612","0.0001","15.7648","0.0003","18.3237","0.0013","90","","90","","90","","1693.12","0.13","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F O2 -","- C22 H19 F O2 -","- C88 H76 F4 O8 -","4","1","","Liang, Yufan; Fu, Gregory C.","Catalytic Asymmetric Synthesis of Tertiary Alkyl Fluorides: Negishi Cross-Couplings of Racemic α,α-Dihaloketones.","Journal of the American Chemical Society","2014","136","14","5520","5524","10.1021/ja501815p","","","1.54187","CuKα","","0.0238","0.0237","","","0.0599","0.06","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121585","7.2176","0.0002","12.8503","0.0004","22.0858","0.0007","90","","90","","90","","2048.42","0.11","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O8 S -","- C21 H23 N O8 S -","- C84 H92 N4 O32 S4 -","4","1","","Howell, Jennifer M.; Liu, Wei; Young, Andrew J.; White, M. Christina","General Allylic C-H Alkylation with Tertiary Nucleophiles.","Journal of the American Chemical Society","2014","136","15","5750","","10.1021/ja500726e","","","1.54178","CuKα","","0.0302","0.0287","","","0.0727","0.0735","","","","","","1.084","","","","has coordinates,has disorder","179017","2020-10-21","18:00:00",""
"4121618","10.144","0.0007","11.1058","0.0009","34.272","0.003","90","","90","","90","","3861","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Fe O -","- C17 H12 Fe O -","- C204 H144 Fe12 O12 -","12","3","","Gao, De-Wei; Yin, Qin; Gu, Qing; You, Shu-Li","Enantioselective Synthesis of Planar Chiral Ferrocenes via Pd(0)-Catalyzed Intramolecular Direct C-H Bond Arylation.","Journal of the American Chemical Society","2014","136","13","4841","4844","10.1021/ja500444v","","","0.71073","MoKα","","0.038","0.032","","","0.0725","0.075","","","","","","0.992","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121620","10.4088","0.0007","16.205","0.0011","33.6784","0.0019","90","","90","","90","","5680.7","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H77 N5 O9 -","- C62 H77 N5 O9 -","- C248 H308 N20 O36 -","4","1","","Bordoli, Robert J.; Goldup, Stephen M.","An efficient approach to mechanically planar chiral rotaxanes.","Journal of the American Chemical Society","2014","136","13","4817","4820","10.1021/ja412715m","","","1.54178","CuKα","","0.0737","0.0555","","","0.1294","0.1407","","","","","","0.977","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121621","13.6896","0.0003","18.8091","0.0004","21.8375","0.0004","90","","90","","90","","5622.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H78 N5 O9.5 -","- C62 H77 N5 O9.5 -","- C248 H308 N20 O38 -","4","1","","Bordoli, Robert J.; Goldup, Stephen M.","An efficient approach to mechanically planar chiral rotaxanes.","Journal of the American Chemical Society","2014","136","13","4817","4820","10.1021/ja412715m","","","1.54178","CuKα","","0.0493","0.0485","","","0.1315","0.1326","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121626","8.6479","0.0002","9.9545","0.0004","16.8563","0.0007","90","","90","","90","","1451.08","0.09","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 P S -","- C16 H19 P S -","- C64 H76 P4 S4 -","4","1","","Huang, Yinhua; Li, Yongxin; Leung, Pak-Hing; Hayashi, Tamio","Asymmetric synthesis of p-stereogenic diarylphosphinites by palladium-catalyzed enantioselective addition of diarylphosphines to benzoquinones.","Journal of the American Chemical Society","2014","136","13","4865","4868","10.1021/ja501007t","","","0.71073","MoKα","","0.0497","0.04","","","0.0874","0.0924","","","","","","1.029","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121629","5.637","0.0004","18.6216","0.0015","21.6252","0.0016","90","","90","","90","","2270","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br N2 O7 -","- C25 H21 Br N2 O7 -","- C100 H84 Br4 N8 O28 -","4","1","","Ke, Zhihai; Tan, Chong Kiat; Chen, Feng; Yeung, Ying-Yeung","Catalytic Asymmetric Bromoetherification and Desymmetrization of Olefinic 1,3-Diols with C2-Symmetric Sulfides.","Journal of the American Chemical Society","2014","136","15","5627","","10.1021/ja5029155","","","0.71073","MoKα","","0.0584","0.0336","","","0.0615","0.0664","","","","","","1.028","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121660","6.4228","0.0003","18.912","0.0008","27.416","0.0011","90","","90","","90","","3330.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 N2 O9 Si -","- C33 H46 N2 O9 Si -","- C132 H184 N8 O36 Si4 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","1.54178","CuKα","","0.039","0.0366","","","0.0902","0.0919","","","","","","1.059","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121662","7.3627","0.0003","16.7402","0.0006","18.4583","0.0006","90","","90","","90","","2275.04","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O9 -","- C24 H26 N2 O9 -","- C96 H104 N8 O36 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","1.54178","CuKα","","0.0512","0.0438","","","0.1061","0.1119","","","","","","1.038","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121663","14.3507","0.0003","14.4432","0.0003","14.5134","0.0003","90","","90","","90","","3008.19","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O2 Si2 -","- C27 H48 O2 Si2 -","- C108 H192 O8 Si8 -","4","1","","McKerrall, Steven J.; Jørgensen, Lars; Kuttruff, Christian A.; Ungeheuer, Felix; Baran, Phil S.","Development of a Concise Synthesis of (+)-Ingenol.","Journal of the American Chemical Society","2014","136","15","5799","","10.1021/ja501881p","","","0.71073","MoKα","","0.033","0.0289","","","0.071","0.0737","","","","","","1.028","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121666","7.0402","0.0013","8.819","0.0016","20.478","0.004","90","","90","","90","","1271.4","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","0.71073","MoKα","","0.0266","0.0264","","","0.0683","0.0684","","","","","","1.018","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121667","6.108","0.007","7.994","0.008","25.1","0.03","90","","90","","90","","1226","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RB1-339","","","- C13 H15 F O4 -","- C13 H15 F O4 -","- C52 H60 F4 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","1.54178","","","0.0208","0.0206","","","0.0536","0.0538","","","","","","1.096","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121668","4.7285","0.0002","10.6501","0.0004","27.8949","0.0012","90","","90","","90","","1404.76","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Peifer, Manuel; Berger, Raphaëlle; Shurtleff, Valerie W.; Conrad, Jay C.; Macmillan, David W. C.","A General and Enantioselective Approach to Pentoses: A Rapid Synthesis of PSI-6130, the Nucleoside Core of Sofosbuvir.","Journal of the American Chemical Society","2014","136","16","5900","5903","10.1021/ja502205q","","","1.54178","CuKα","","0.0342","0.0334","","","0.0841","0.0845","","","","","","1.071","","","","has coordinates","179018","2020-10-21","18:00:00",""
"4121693","8.0015","0.0008","10.3219","0.001","34.795","0.003","90","","90","","90","","2873.7","0.5","123","0.1","123","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N O3 -","- C31 H36 N O3 -","- C124 H144 N4 O12 -","4","1","","Leskinen, Mikko V.; Madarász, Adám; Yip, Kai-Tai; Vuorinen, Aini; Pápai, Imre; Neuvonen, Antti J.; Pihko, Petri M.","Cross-Dehydrogenative Couplings between Indoles and β-Keto Esters: Ligand-Assisted Ligand Tautomerization and Dehydrogenation via a Proton-Assisted Electron Transfer to Pd(II).","Journal of the American Chemical Society","2014","136","17","6453","6462","10.1021/ja501681y","","x-ray","1.54184","CuKα","","0.1308","0.1074","","","0.275","0.3025","","","","","","1.051","","","","has coordinates,has disorder","179018","2020-10-21","18:00:00",""
"4121703","8.9334","0.0002","11.2354","0.0002","19.4368","0.0004","90","","90","","90","","1950.88","0.07","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O3 S -","- C21 H29 N O3 S -","- C84 H116 N4 O12 S4 -","4","1","","Fujino, Daishi; Yorimitsu, Hideki; Osuka, Atsuhiro","Regiocontrolled palladium-catalyzed arylative cyclizations of alkynols.","Journal of the American Chemical Society","2014","136","17","6255","6258","10.1021/ja5029028","","","1.54187","CuKα","","0.0335","0.0325","","","0.0976","0.0994","","","","","","0.84","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121706","11.3623","0.0016","11.4984","0.0016","30.63","0.004","90","","90","","90","","4001.8","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H66 Ni P2 -","- C43 H66 Ni P2 -","- C172 H264 Ni4 P8 -","4","1","","Iluc, Vlad M.; Hillhouse, Gregory L.","Three-coordinate nickel carbene complexes and their one-electron oxidation products.","Journal of the American Chemical Society","2014","136","17","6479","6488","10.1021/ja501900j","","","0.71073","MoKα","","0.0812","0.0574","","","0.0851","0.0912","","","","","","0.947","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121725","11.861","0.0006","17.618","0.0008","19.368","0.0005","90","","90","","90","","4047.3","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(t-Bu2MeSi)2As=P(2,4,6-t-Bu3-C6H2)","","- C36 H71 As Si3 -","- C36 H71 As Si3 -","- C144 H284 As4 Si12 -","4","1","","Lee, Vladimir Ya; Aoki, Shinji; Kawai, Manami; Meguro, Takahiko; Sekiguchi, Akira","Stibasilene sb═si and its lighter homologues: a comparative study.","Journal of the American Chemical Society","2014","136","17","6243","6246","10.1021/ja5026084","","","0.7107","MoKα","","0.061","0.048","","","0.1234","0.1373","","","","","","1.085","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121726","12.0632","0.0013","17.6672","0.0019","19.301","0.002","90","","90","","90","","4113.5","0.8","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H71 Sb Si3 -","- C36 H71 Sb Si3 -","- C144 H284 Sb4 Si12 -","4","1","","Lee, Vladimir Ya; Aoki, Shinji; Kawai, Manami; Meguro, Takahiko; Sekiguchi, Akira","Stibasilene sb═si and its lighter homologues: a comparative study.","Journal of the American Chemical Society","2014","136","17","6243","6246","10.1021/ja5026084","","","0.71073","MoKα","","0.0341","0.0286","","","0.0625","0.065","","","","","","1.009","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121738","8.443","0.003","8.444","","18.557","0.006","90","","90","","90","","1323","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N S -","- C14 H17 N S -","- C56 H68 N4 S4 -","4","1","","Zhuo, Chun-Xiang; Zhou, Yong; You, Shu-Li","Highly Regio- and Enantioselective Synthesis of Polysubstituted 2H-Pyrroles via Pd-Catalyzed Intermolecular Asymmetric Allylic Dearomatization of Pyrroles.","Journal of the American Chemical Society","2014","136","18","6590","6593","10.1021/ja5028138","","","0.71073","MoKα","","0.0604","0.0416","","","0.0806","0.0871","","","","","","1.037","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121747","4.8259","0.0005","9.2547","0.0011","44.131","0.005","90","","90","","90","","1971","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","EDII140C_B1","","","- C23 H21 Cl O6 -","- C23 H21 Cl O6 -","- C92 H84 Cl4 O24 -","4","1","","Rodriguez, Rodrigo A.; Pan, Chung-Mao; Yabe, Yuki; Kawamata, Yu; Eastgate, Martin D.; Baran, Phil S.","Palau'chlor: A Practical and Reactive Chlorinating Reagent.","Journal of the American Chemical Society","2014","136","19","6908","6911","10.1021/ja5031744","","","0.71073","MoKα","","0.0439","0.0399","","","0.089","0.0913","","","","","","1.066","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121772","12.1991","0.0013","12.3901","0.0014","16.5297","0.0018","90","","90","","90","","2498.4","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H44 Cl2 N P2 Re -","- C20 H44 Cl2 N P2 Re -","- C80 H176 Cl8 N4 P8 Re4 -","4","1","","Klopsch, Isabel; Finger, Markus; Würtele, Christian; Milde, Bastian; Werz, Daniel B.; Schneider, Sven","Dinitrogen splitting and functionalization in the coordination sphere of rhenium.","Journal of the American Chemical Society","2014","136","19","6881","6883","10.1021/ja502759d","","","0.56086","AgKα","","0.0405","0.038","","","0.0935","0.0966","","","","","","1.137","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121798","16.69","0.002","17.558","0.002","24.517","0.003","90","","90","","90","","7184.5","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[NMe_4]_2 [L_2 Cu_4 (μ_4-O)]","","","- C66 H74 Cu4 N16 O15 -","- C66 H66 Cu4 N16 O15 -","- C264 H264 Cu16 N64 O60 -","4","1","","Halvagar, Mohammad Reza; Solntsev, Pavlo V.; Lim, Hyeongtaek; Hedman, Britt; Hodgson, Keith O.; Solomon, Edward I.; Cramer, Christopher J.; Tolman, William B.","Hydroxo-Bridged Dicopper(II,III) and -(III,III) Complexes: Models for Putative Intermediates in Oxidation Catalysis.","Journal of the American Chemical Society","2014","136","20","7269","7272","10.1021/ja503629r","","","0.71073","MoKα","","0.1846","0.0917","","","0.2086","0.2587","","","","","","0.992","","","","has coordinates","179019","2020-10-21","18:00:00",""
"4121837","10.2268","0.0005","14.9875","0.0008","18.2383","0.0009","90","","90","","90","","2795.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Au Cl4 F P -","- C25 H39 Au Cl4 F P -","- C100 H156 Au4 Cl16 F4 P4 -","4","1","","Winston, Matthew S.; Wolf, William J.; Toste, F. Dean","Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.","Journal of the American Chemical Society","2014","136","21","7777","7782","10.1021/ja503974x","","","0.71073","MoKα","","0.022","0.0208","","","0.0447","0.0454","","","","","","1.066","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121844","9.713","0.003","11.46","0.004","21.611","0.007","90","","90","","90","","2405.5","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 B10 O Si -","- C20 H36 B10 O Si -","- C80 H144 B40 O4 Si4 -","4","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.2309","0.1257","","","0.2433","0.29","","","","","","1.058","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121845","9.6641","0.0008","11.7306","0.0009","21.7302","0.0018","90","","90","","90","","2463.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 B10 O Si -","- C20 H36 B10 O Si -","- C80 H144 B40 O4 Si4 -","4","1","","Quan, Yangjian; Qiu, Zaozao; Xie, Zuowei","Transition-Metal-Mediated Three-Component Cascade Cyclization: Selective Cage B-C(sp(2)) Coupling of Carborane with Aromatics and Synthesis of Carborane-Fused Tricyclics.","Journal of the American Chemical Society","2014","136","21","7599","7602","10.1021/ja503489b","","","0.71073","MoKα","","0.077","0.0711","","","0.1834","0.1899","","","","","","1.044","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121848","7.0536","0.0003","16.9061","0.0006","30.9575","0.0012","90","","90","","90","","3691.6","0.2","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 N2 O2 -","- C42 H54 N2 O2 -","- C168 H216 N8 O8 -","4","1","","Xu, Jin-Biao; Zhang, Hua; Gan, Li-She; Han, Ying-Shan; Wainberg, Mark A.; Yue, Jian-Min","Logeracemin A, an Anti-HIV Daphniphyllum Alkaloid Dimer with a New Carbon Skeleton from Daphniphyllum longeracemosum.","Journal of the American Chemical Society","2014","136","21","7631","7633","10.1021/ja503995b","","","1.54178","CuKα","","0.0683","0.0597","","","0.1592","0.1654","","","","","","1.039","","","","has coordinates","179020","2020-10-21","18:00:00",""
"4121934","9.7753","0.0011","12.6238","0.0015","30.737","0.004","90","","90","","90","","3793","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 O6 -","- C42 H60 O6 -","- C168 H240 O24 -","4","1","","Deng, Jun; Zhou, Shupeng; Zhang, Wenhao; Li, Jian; Li, Ruofan; Li, Ang","Total synthesis of taiwaniadducts B, C, and d.","Journal of the American Chemical Society","2014","136","23","8185","8188","10.1021/ja503972p","","","0.71073","MoKα","","0.064","0.0479","","","0.1139","0.1235","","","","","","1.034","","","","has coordinates,has disorder","179021","2020-10-21","18:00:00",""
"4121935","7.8448","0.0009","12.3771","0.0014","20.72","0.002","90","","90","","90","","2011.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Deng, Jun; Zhou, Shupeng; Zhang, Wenhao; Li, Jian; Li, Ruofan; Li, Ang","Total synthesis of taiwaniadducts B, C, and d.","Journal of the American Chemical Society","2014","136","23","8185","8188","10.1021/ja503972p","","","0.71073","MoKα","","0.073","0.0486","","","0.1094","0.1204","","","","","","1.006","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121963","6.2662","0.0001","17.4708","0.0003","21.464","0.0015","90","","90","","90","","2349.78","0.17","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F9 N2 O2 S -","- C22 H19 F9 N2 O2 S -","- C88 H76 F36 N8 O8 S4 -","4","1","","Wangweerawong, Apiwat; Bergman, Robert G.; Ellman, Jonathan A.","Asymmetric Synthesis of α-Branched Amines via Rh(III)-Catalyzed C-H Bond Functionalization.","Journal of the American Chemical Society","2014","136","24","8520","8523","10.1021/ja5033452","","","1.54178","CuKα","","0.0386","0.0344","","","0.0724","0.075","","","","","","1.138","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121964","5.2361","0.0001","13.5746","0.0003","27.6919","0.0005","90","","90","","90","","1968.28","0.07","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Takeda, Youhei; Ikeda, Yuki; Kuroda, Akinobu; Tanaka, Shino; Minakata, Satoshi","Pd/NHC-Catalyzed Enantiospecific and Regioselective Suzuki-Miyaura Arylation of 2-Arylaziridines: Synthesis of Enantioenriched 2-Arylphenethylamine Derivatives.","Journal of the American Chemical Society","2014","136","24","8544","8547","10.1021/ja5039616","","","1.54187","CuKα","","0.1056","0.0708","","","0.1162","0.1282","","","","","","1.088","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121979","7.2608","0.0002","12.2775","0.0004","13.9906","0.0005","90","","90","","90","","1247.18","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0258","0.0255","","","0.0666","0.0675","","","","","","1.077","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121984","10.4155","0.0004","10.8207","0.0004","11.9003","0.0004","90","","90","","90","","1341.2","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0496","0.0486","","","0.1323","0.1331","","","","","","1.052","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121985","10.4007","0.0007","10.8621","0.0007","11.9388","0.0008","90","","90","","90","","1348.77","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0716","0.068","","","0.198","0.2027","","","","","","1.06","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121988","10.5289","0.0002","10.8797","0.0002","11.1329","0.0002","90","","90","","90","","1275.29","0.04","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0394","0.0343","","","0.0782","0.0808","","","","","","1.092","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121989","10.412","0.0003","11.0795","0.0003","11.1114","0.0004","90","","90","","90","","1281.81","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Jockusch, Steffen; Ugrinov, Angel; Sivaguru, J.","Tailoring atropisomeric maleimides for stereospecific [2 + 2] photocycloaddition-photochemical and photophysical investigations leading to visible-light photocatalysis.","Journal of the American Chemical Society","2014","136","24","8729","8737","10.1021/ja5034638","","","1.54178","CuKα","","0.0435","0.0413","","","0.1107","0.1124","","","","","","1.06","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121990","7.051","0.003","12.646","0.005","16.338","0.005","90","","90","","90","","1456.8","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Br O2 -","- C15 H19 Br O2 -","- C60 H76 Br4 O8 -","4","1","","Feng, Jiajie; Garza, Victoria J.; Krische, Michael J.","Redox-Triggered C-C Coupling of Alcohols and Vinyl Epoxides: Diastereo- and Enantioselective Formation of All-Carbon Quaternary Centers via tert-(Hydroxy)-Prenylation.","Journal of the American Chemical Society","2014","136","25","8911","8914","10.1021/ja504625m","","","0.71073","MoKα","","0.0209","0.0201","","","0.0508","0.0512","","","","","","1.082","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121994","8.9487","0.0002","9.4087","0.0002","18.4277","0.0003","90","","90","","90","","1551.53","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ba3 O14 P4 Rb2 -","- Ba3 O14 P4 Rb2 -","- Ba12 O56 P16 Rb8 -","4","1","","Zhao, Sangen; Gong, Pifu; Luo, Siyang; Bai, Lei; Lin, Zheshuai; Ji, Chengmin; Chen, Tianliang; Hong, Maochun; Luo, Junhua","Deep-Ultraviolet Transparent Phosphates RbBa2(PO3)5 and Rb2Ba3(P2O7)2 Show Nonlinear Optical Activity from Condensation of [PO4](3-) Units.","Journal of the American Chemical Society","2014","136","24","8560","8563","10.1021/ja504319x","","","0.71073","MoKα","","0.0528","0.0491","","","0.1128","0.1148","","","","","","1.053","","","","has coordinates","179021","2020-10-21","18:00:00",""
"4121999","9.2633","0.0002","9.369","0.0002","9.9779","0.0002","90","","90","","90","","865.96","0.03","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Wang, Sen; Wen, Xin; DeVries, Arthur L.; Bagdagulyan, Yelena; Morita, Alexander; Golen, James A.; Duman, John G.; Rheingold, Arnold L.","Molecular Recognition of Methyl α-d-Mannopyranoside by Antifreeze (Glyco)Proteins.","Journal of the American Chemical Society","2014","136","25","8973","8981","10.1021/ja502837t","","","1.54178","CuKα","","0.0233","0.0232","","","0.0685","0.0687","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122018","6.0841","0.0005","15.6924","0.0012","22.5997","0.0018","90","","90","","90","","2157.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O2 S2 -","- C25 H27 N O2 S2 -","- C100 H108 N4 O8 S8 -","4","1","","Denmark, Scott E.; Chi, Hyung Min","Lewis base catalyzed, enantioselective, intramolecular sulfenoamination of olefins.","Journal of the American Chemical Society","2014","136","25","8915","8918","10.1021/ja5046296","","","0.71073","MoKα","","0.0272","0.0253","","","0.0625","0.0634","","","","","","1.059","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122019","14.8695","0.0015","15.973","0.002","37.274","0.004","90","","90","","90","","8853","1.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C41.59 H60.47 B11 Cl0.7 F Fe N2 O -","- C41.59 H60.475 B11 Cl0.705 F Fe N2 O -","- C332.72 H483.8 B88 Cl5.64 F8 Fe8 N16 O8 -","8","2","","Lee, Sarah Yunmi; Neufeind, Stefan; Fu, Gregory C.","Enantioselective Nucleophile-Catalyzed Synthesis of Tertiary Alkyl Fluorides via the α-Fluorination of Ketenes: Synthetic and Mechanistic Studies.","Journal of the American Chemical Society","2014","136","25","8899","8902","10.1021/ja5044209","","","0.71073","MoKα","","0.096","0.061","","","0.1396","0.1563","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122057","5.1028","0.0001","17.2111","0.0005","25.2391","0.0008","90","","90","","90","","2216.62","0.1","105","2","105","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 F6 N O5 -","- C21 H25 F6 N O5 -","- C84 H100 F24 N4 O20 -","4","1","","Xu, Yingjie; Kaneko, Keiichi; Kanai, Motomu; Shibasaki, Masakatsu; Matsunaga, Shigeki","Regiodivergent Kinetic Resolution of Terminal and Internal rac-Aziridines with Malonates under Dinuclear Schiff Base Catalysis.","Journal of the American Chemical Society","2014","136","25","9190","9194","10.1021/ja5039165","","","1.54187","CuKα","","0.1279","0.0496","","","0.0562","0.0721","","","","","","0.801","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122092","7.8788","0.0004","16.7537","0.0009","25.9266","0.0013","90","","90","","90","","3422.3","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N-diethyl-4-(4-methylstyryl)benzamide","","- C20 H23 N O -","- C20 H22 N O -","- C160 H176 N8 O8 -","8","2","","Iwasaki, Takanori; Miyata, Yoshinori; Akimoto, Ryo; Fujii, Yuuki; Kuniyasu, Hitoshi; Kambe, Nobuaki","Diarylrhodates as promising active catalysts for the arylation of vinyl ethers with grignard reagents.","Journal of the American Chemical Society","2014","136","26","9260","9263","10.1021/ja5043534","","x-ray","1.54187","CuKα","","","0.096","","","","0.3222","","","","","","1.026","","","","has coordinates","179022","2020-10-21","18:00:00",""
"4122101","13.2161","0.0006","14.3784","0.0008","15.8066","0.0007","90","","90","","90","","3003.7","0.3","173.1","","173.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H45 Cl3 Mo N P2 -","- C24 H45 Cl3 Mo N P2 -","- C96 H180 Cl12 Mo4 N4 P8 -","4","1","","Kuriyama, Shogo; Arashiba, Kazuya; Nakajima, Kazunari; Tanaka, Hiromasa; Kamaru, Nobuaki; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic Formation of Ammonia from Molecular Dinitrogen by Use of Dinitrogen-Bridged Dimolybdenum-Dinitrogen Complexes Bearing PNP-Pincer Ligands: Remarkable Effect of Substituent at PNP-Pincer Ligand.","Journal of the American Chemical Society","2014","136","27","9719","9731","10.1021/ja5044243","","","0.71075","MoKα","","","0.0273","","","","0.0743","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122102","17.0832","0.0003","26.3313","0.0005","30.349","0.0005","90","","90","","90","","13651.7","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C103 H176 Cr7 F3 N2 O38 Zn -","- C103 H176 Cr7 F3 N2 O38 Zn -","- C412 H704 Cr28 F12 N8 O152 Zn4 -","4","1","","Garlatti, Elena; Albring, Morten A.; Baker, Michael L.; Docherty, Rebecca J.; Mutka, Hannu; Guidi, Tatiana; Garcia Sakai, Victoria; Whitehead, George F. S.; Pritchard, Robin G.; Timco, Grigore A.; Tuna, Floriana; Amoretti, Giuseppe; Carretta, Stefano; Santini, Paolo; Lorusso, Giulia; Affronte, Marco; McInnes, Eric J. L.; Collison, David; Winpenny, Richard E. P.","A Detailed Study of the Magnetism of Chiral {Cr7M} Rings: An Investigation into Parametrization and Transferability of Parameters.","Journal of the American Chemical Society","2014","136","27","9763","9772","10.1021/ja5047445","","","1.54178","CuKα","","0.0629","0.0495","","","0.1192","0.1267","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122103","17.1445","0.0003","26.2806","0.0004","30.3604","0.0003","90","","90","","90","","13679.4","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C103 H176 Cr7 F3 Mn N2 O38 -","- C103 H176 Cr7 F3 Mn N2 O38 -","- C412 H704 Cr28 F12 Mn4 N8 O152 -","4","1","","Garlatti, Elena; Albring, Morten A.; Baker, Michael L.; Docherty, Rebecca J.; Mutka, Hannu; Guidi, Tatiana; Garcia Sakai, Victoria; Whitehead, George F. S.; Pritchard, Robin G.; Timco, Grigore A.; Tuna, Floriana; Amoretti, Giuseppe; Carretta, Stefano; Santini, Paolo; Lorusso, Giulia; Affronte, Marco; McInnes, Eric J. L.; Collison, David; Winpenny, Richard E. P.","A Detailed Study of the Magnetism of Chiral {Cr7M} Rings: An Investigation into Parametrization and Transferability of Parameters.","Journal of the American Chemical Society","2014","136","27","9763","9772","10.1021/ja5047445","","x-ray","1.54178","CuKα","","0.0716","0.0561","","","0.1361","0.1447","","","","","","1.027","","","","has coordinates,has disorder","179023","2020-10-21","18:00:00",""
"4122122","8.777","0.002","15.636","0.003","34.891","0.007","90","","90","","90","","4788.3","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Co N6 -","- C28 H20 Co N6 -","- C224 H160 Co8 N48 -","8","2","","Ciszek, Jacob W.; Keane, Zachary K.; Cheng, Long; Stewart, Michael P.; Yu, Lam H.; Natelson, Douglas; Tour, James M.","Neutral Complexes of First Row Transition Metals Bearing Unbound Thiocyanates and Their Assembly on Metallic Surfaces [J. Am. Chem. Soc.2006,128, 3179−3189].","Journal of the American Chemical Society","2006","128","18","6264","","10.1021/ja069962h","","","0.71073","MoKα","","0.0407","0.0314","","0.0725","0.0688","","","","0.966","1.002","1.002","","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122136","12.0364","0.0013","12.668","0.002","14.0217","0.0018","90","","90","","90","","2138","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 B Cl3 Ga Mo N O4 Si2 -","- C10 H18 B Cl3 Ga Mo N O4 Si2 -","- C40 H72 B4 Cl12 Ga4 Mo4 N4 O16 Si8 -","4","1","","Braunschweig, Holger; Ye, Qing; Vargas, Alfredo; Dewhurst, Rian D.; Hupp, Florian","Complete and Partial 1,2-Additions across Transition Metal-Boron Double Bonds.","Journal of the American Chemical Society","2014","136","27","9560","9563","10.1021/ja504761f","","","0.71073","MoKα","","0.0178","0.0154","","","0.0329","0.0341","","","","","","1.079","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122138","5.7478","0.0016","19.923","0.005","37.012","0.01","90","","90","","90","","4238","2","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Br O2 -","- C24 H31 Br O2 -","- C192 H248 Br8 O16 -","8","2","","Qin, Changming; Davies, Huw M. L.","Role of sterically demanding chiral dirhodium catalysts in site-selective C-h functionalization of activated primary C-h bonds.","Journal of the American Chemical Society","2014","136","27","9792","9796","10.1021/ja504797x","","","0.71073","MoKα","","0.1457","0.1315","","","0.3067","0.3137","","","","","","1.095","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122159","7.907","0.003","12.982","0.006","13.323","0.005","90","","90","","90","","1367.6","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 P -","- C16 H19 P -","- C64 H76 P4 -","4","1","","McAtee, Jesse R.; Yap, Glenn P. A.; Watson, Donald A.","Rational design of a second generation catalyst for preparation of allylsilanes using the silyl-heck reaction.","Journal of the American Chemical Society","2014","136","28","10166","10172","10.1021/ja505446y","","","0.71073","MoKα","","0.0488","0.0391","","","0.0843","0.0901","","","","","","1.018","","","","has coordinates","179023","2020-10-21","18:00:00",""
"4122234","8.8228","0.0007","12.0316","0.0012","18.1669","0.0016","90","","90","","90","","1928.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H8 Cl2 N6 O4 -","- C18 H8 Cl2 N6 O4 -","- C72 H32 Cl8 N24 O16 -","4","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.0703","0.0288","","","0.0228","0.0256","","","","","","0.554","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122239","15.95","0.02","9.169","0.013","20.89","0.03","90","","90","","90","","3055","7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Cl2 N10 O0.25 -","- C21 H18 Cl2 N10 O0.25 -","- C84 H72 Cl8 N40 O -","4","1","","Wang, Mei-Xiang; Yang, Hai-Bo","A General and High Yielding Fragment Coupling Synthesis of Heteroatom-Bridged Calixarenes and the Unprecedented Examples of Calixarene Cavity Fine-Tuned by Bridging Heteroatoms","Journal of the American Chemical Society","2004","126","47","15412","","10.1021/ja0465092","","","0.71073","MoKα","","0.1104","0.083","","","0.2269","0.2588","","","","","","1.205","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122263","7.5638","0.0002","13.0804","0.0003","19.4333","0.0004","90","","90","","90","","1922.68","0.08","99.96","","99.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N O3 -","- C21 H22 Br N O3 -","- C84 H88 Br4 N4 O12 -","4","1","","Lee, Anna; Younai, Ashkaan; Price, Christopher K.; Izquierdo, Javier; Mishra, Rama K.; Scheidt, Karl A.","Enantioselective annulations for dihydroquinolones by in situ generation of azolium enolates.","Journal of the American Chemical Society","2014","136","30","10589","10592","10.1021/ja505880r","","","1.54178","CuKα","","0.0217","0.0197","","","0.046","0.0469","","","","","","1.034","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122270","9.627","0.0007","12.8045","0.0009","16.2628","0.0012","90","","90","","90","","2004.7","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 B O3 P -","- C25 H20 B O3 P -","- C100 H80 B4 O12 P4 -","4","1","","Courtemanche, Marc-André; Légaré, Marc-André; Maron, Laurent; Fontaine, Frédéric-Georges","Reducing CO2 to Methanol Using Frustrated Lewis Pairs: On the Mechanism of Phosphine-Borane-Mediated Hydroboration of CO2.","Journal of the American Chemical Society","2014","136","30","10708","10717","10.1021/ja5047846","","","0.71073","MoKα","","0.0363","0.0333","","","0.0831","0.0855","","","","","","1.043","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122272","7.5037","0.0016","7.547","0.0016","27.474","0.006","90","","90","","90","","1555.9","0.6","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 S2 -","- C19 H16 S2 -","- C76 H64 S8 -","4","1","","Bailey, T. Spencer; Zakharov, Lev N.; Pluth, Michael D.","Understanding hydrogen sulfide storage: probing conditions for sulfide release from hydrodisulfides.","Journal of the American Chemical Society","2014","136","30","10573","10576","10.1021/ja505371z","","","0.71073","MoKα","","0.0521","0.0446","","","0.1138","0.1179","","","","","","1.025","","","","has coordinates","179024","2020-10-21","18:00:00",""
"4122329","15.11301","0.00014","18.55311","0.00017","19.57819","0.00018","90","","90","","90","","5489.59","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H82 B2 N4 Sn -","- C58 H82 B2 N4 Sn -","- C232 H328 B8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","1.54184","CuKα","","0.0211","0.0203","","0.0223","0.0217","0.0216","","","","","","1.1022","","","","has coordinates","265225","2021-05-14","14:20:09",""
"4122331","11.3674","0.0001","18.7715","0.0001","24.657","0.0002","90","","90","","90","","5261.39","0.07","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71.5 B2 Cl2 N4 Sn -","- C52 H71.5 B2 Cl2 N4 Sn -","- C208 H286 B8 Cl8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Dange, Deepak; Blake, Matthew P.; Schwarz, Andrew D.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Oxidative Bond Formation and Reductive Bond Cleavage at Main Group Metal Centers: Reactivity of Five-Valence-Electron MX2 Radicals.","Journal of the American Chemical Society","2014","136","31","10902","10905","10.1021/ja5062467","","","0.71073","MoKα","","0.0452","0.0399","","0.0441","0.0396","0.0386","","","","","","1.1293","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4122337","7.1363","0.0005","21.1151","0.0017","23.2821","0.0018","90","","90","","90","","3508.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H30 N2 O8 S -","- C41 H30 N2 O8 S -","- C164 H120 N8 O32 S4 -","4","1","","Ling, Fei; Li, Zexiang; Zheng, Chenguang; Liu, Xiang; Ma, Cheng","Palladium/Copper-catalyzed aerobic intermolecular cyclization of enediyne compounds and alkynes: interrupting cycloaromatization for (4 + 2) cross-benzannulation.","Journal of the American Chemical Society","2014","136","31","10914","10917","10.1021/ja506795u","","","0.71073","MoKα","","0.0863","0.0648","","","0.1501","0.1714","","","","","","1.093","","","","has coordinates,has disorder","179025","2020-10-21","18:00:00",""
"4122371","11.086","0.008","12.066","0.008","14.35","0.01","90","","90","","90","","1920","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl2 Co N6 O3 -","- C18 H13 Cl2 Co N6 O3 -","- C72 H52 Cl8 Co4 N24 O12 -","4","1","","Rhine, Melody A.; Rodrigues, Andria V.; Urbauer, Ramona J Bieber; Urbauer, Jeffrey L.; Stemmler, Timothy L.; Harrop, Todd C.","Proton-Induced Reactivity of NO(-) from a {CoNO}(8) Complex.","Journal of the American Chemical Society","2014","136","36","12560","12563","10.1021/ja5064444","","","0.71073","MoKα","","0.1396","0.0753","","","0.1195","0.1406","","","","","","1.016","","","","has coordinates","179025","2020-10-21","18:00:00",""
"4122408","10.214","0.002","13.715","0.003","34.474","0.007","90","","90","","90","","4829.3","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ccs17dec12","","","- C40 H84 Li4 N4 O6 -","- C40 H84 Li4 N4 O6 -","- C160 H336 Li16 N16 O24 -","4","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0562","0.0448","","","0.1153","0.123","","","","","","1.039","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122413","10.8399","0.0009","12.751","0.001","36.398","0.003","90","","90","","90","","5030.9","0.7","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ccs23feb13","","","- C42 H92 Li4 N4 O6 -","- C42 H92 Li4 N4 O6 -","- C168 H368 Li16 N16 O24 -","4","1","","Su, Chicheung; Guang, Jie; Li, Weibin; Wu, Kuiwang; Hopson, Russell; Williard, Paul G.","Chiral lithium diamides derived from linked N-isopropyl valinol or alaninol.","Journal of the American Chemical Society","2014","136","33","11735","11747","10.1021/ja505179y","","","0.71073","","","0.0787","0.072","","","0.1966","0.2028","","","","","","1.03","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122420","6.1018","0.0009","9.0572","0.0014","30.82","0.005","90","","90","","90","","1703.3","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N O3 P S -","- C18 H20 N O3 P S -","- C72 H80 N4 O12 P4 S4 -","4","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.0337","0.0301","","","0.0764","0.0789","","","","","","1.027","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122421","6.4382","0.0012","13.849","0.003","21.164","0.004","90","","90","","90","","1887","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","0.71073","MoKα","","0.0419","0.0352","","","0.0862","0.0897","","","","","","1.035","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122422","6.3278","0.0002","10.3004","0.0002","25.6219","0.0006","90","","90","","90","","1670.01","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N O2 P S -","- C18 H20 N O2 P S -","- C72 H80 N4 O8 P4 S4 -","4","1","","Henry, Christopher E.; Xu, Qihai; Fan, Yi Chiao; Martin, Tioga J.; Belding, Lee; Dudding, Travis; Kwon, Ohyun","Hydroxyproline-Derived Pseudoenantiomeric [2.2.1] Bicyclic Phosphines: Asymmetric Synthesis of (+)- and (-)-Pyrrolines.","Journal of the American Chemical Society","2014","136","34","11890","","10.1021/ja505592h","","","1.54178","CuKα","","0.025","0.0244","","","0.064","0.0643","","","","","","1.059","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122435","6.2283","0.0003","13.7866","0.0007","15.3937","0.0008","90","","90","","90","","1321.81","0.12","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 S -","- C14 H20 O2 S -","- C56 H80 O8 S4 -","4","1","","Choi, Junwon; Martín-Gago, Pablo; Fu, Gregory C.","Stereoconvergent Arylations and Alkenylations of Unactivated Alkyl Electrophiles: Catalytic Enantioselective Synthesis of Secondary Sulfonamides and Sulfones.","Journal of the American Chemical Society","2014","136","34","12161","","10.1021/ja506885s","","","0.71073","MoKα","","0.0741","0.054","","","0.1115","0.1179","","","","","","1.141","","","","has coordinates","179026","2020-10-21","18:00:00",""
"4122462","13.744","0.005","14.024","0.006","20.665","0.008","90","","90","","90","","3983","3","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H25.5 Cl2 N8.5 O14 Ru -","- C41 H25.5 Cl2 N8.5 O14 Ru -","- C164 H102 Cl8 N34 O56 Ru4 -","4","1","","Wendlandt, Alison E.; Stahl, Shannon S.","Modular o-Quinone Catalyst System for Dehydrogenation of Tetrahydroquinolines under Ambient Conditions.","Journal of the American Chemical Society","2014","136","34","11910","","10.1021/ja506546w","","","0.71073","MoKα","","0.0489","0.0383","","","0.088","0.0934","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4122477","8.234","0.002","19.756","0.005","36.5075","0.001","90","","90","","90","","5939","2","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 F6 N P -","- C13 H18 F6 N P -","- C208 H288 F96 N16 P16 -","16","4","","Song, Guoyong; O, Wylie W N; Hou, Zhaomin","Enantioselective C-h bond addition of pyridines to alkenes catalyzed by chiral half-sandwich rare-Earth complexes.","Journal of the American Chemical Society","2014","136","35","12209","12212","10.1021/ja504995f","","","0.71073","MoKα","","0.1249","0.1121","","","0.3264","0.3467","","","","","","1.471","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122504","7.3107","0.0003","9.0733","0.0003","26.4224","0.001","90","","90","","90","","1752.66","0.11","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","ECC-9-020-1","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","x-ray","1.54178","CuKα","K-L~3~","0.027","0.0263","","","0.0679","0.0687","","","","","","1.038","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4122505","11.6331","0.0003","14.2907","0.0004","29.0902","0.0008","90","","90","","90","","4836.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 N O5 P -","- C24 H42 N O5 P -","- C192 H336 N8 O40 P8 -","8","2","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","","1.54178","CuKα","","0.0352","0.0319","","","0.0796","0.0813","","","","","","1.046","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122506","8.094","0.0003","12.9407","0.0004","16.7992","0.0006","90","","90","","90","","1759.58","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ECC-10-164-1","","","- C20 H30 Cl N O2 -","- C20 H30 Cl N O2 -","- C80 H120 Cl4 N4 O8 -","4","1","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","","1.54178","CuKα","","0.0272","0.0268","","","0.0693","0.0695","","","","","","1.006","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122507","7.3343","0.0002","9.0194","0.0003","26.3328","0.0008","90","","90","","90","","1741.94","0.09","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O2 -","- C21 H32 O2 -","- C84 H128 O8 -","4","1","","Cherney, Emily C.; Lopchuk, Justin M.; Green, Jason C.; Baran, Phil S.","A unified approach to ent-atisane diterpenes and related alkaloids: synthesis of (-)-methyl atisenoate, (-)-isoatisine, and the hetidine skeleton.","Journal of the American Chemical Society","2014","136","36","12592","12595","10.1021/ja507321j","","x-ray","1.54178","CuKα","","0.0321","0.0318","","","0.0809","0.0812","","","","","","1.057","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122520","8.2383","0.0003","10.9075","0.0005","14.7942","0.0006","90","","90","","90","","1329.4","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tb -","- C11 H15 O6 Tb -","- C44 H60 O24 Tb4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0375","0.0327","","","0.0696","0.0718","","","","","","1.057","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122521","8.1926","0.0001","10.8934","0.0001","14.7834","0.0001","90","","90","","90","","1319.35","0.02","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy O6 -","- C11 H15 Dy O6 -","- C44 H60 Dy4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0253","0.0237","","","0.0564","0.0571","","","","","","1.08","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122522","8.1608","0.0001","10.9191","0.0001","14.7591","0.0002","90","","90","","90","","1315.16","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho O6 -","- C11 H15 Ho O6 -","- C44 H60 Ho4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0318","0.0276","","","0.0629","0.0645","","","","","","1.05","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122523","8.1229","0.0003","10.9348","0.0004","14.7351","0.0008","90","","90","","90","","1308.81","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er O6 -","- C11 H15 Er O6 -","- C44 H60 Er4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.038","0.0322","","","0.0758","0.0786","","","","","","0.998","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122524","8.1002","0.0001","10.9327","0.0001","14.721","0.0001","90","","90","","90","","1303.65","0.02","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tm -","- C11 H15 O6 Tm -","- C44 H60 O24 Tm4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0469","0.0356","","","0.076","0.0805","","","","","","1.035","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122525","8.0669","0.0002","10.9191","0.0003","14.7177","0.0004","90","","90","","90","","1296.38","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Yb -","- C11 H15 O6 Yb -","- C44 H60 O24 Yb4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0376","0.0301","","","0.0613","0.0643","","","","","","1.083","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122526","8.0349","0.0003","10.9499","0.0004","14.6841","0.0005","90","","90","","90","","1291.93","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Lu O6 -","- C11 H15 Lu O6 -","- C44 H60 Lu4 O24 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0458","0.0351","","","0.0913","0.1093","","","","","","1.094","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122527","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Y -","- C11 H15 O6 Y -","- C44 H60 O24 Y4 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0794","0.0553","","","0.1201","0.1325","","","","","","1.029","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122529","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Gd0.329 O6 Y0.671 -","- C11 H15 Gd0.329 O6 Y0.671 -","- C44 H60 Gd1.316 O24 Y2.684 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0678","0.0497","","","0.1365","0.1438","","","","","","1.061","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122530","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tb0.484 Y0.516 -","- C11 H15 O6 Tb0.484 Y0.516 -","- C44 H60 O24 Tb1.936 Y2.064 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.063","0.0417","","","0.1041","0.1131","","","","","","1.043","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122531","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy0.495 O6 Y0.505 -","- C11 H15 Dy0.495 O6 Y0.505 -","- C44 H60 Dy1.98 O24 Y2.02 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0673","0.044","","","0.1076","0.1167","","","","","","1.054","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122532","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho0.558 O6 Y0.442 -","- C11 H15 Ho0.558 O6 Y0.442 -","- C44 H60 Ho2.232 O24 Y1.768 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0758","0.057","","","0.1351","0.1465","","","","","","1.066","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122533","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er0.566 O6 Y0.434 -","- C11 H15 Er0.566 O6 Y0.434 -","- C44 H60 Er2.264 O24 Y1.736 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0621","0.0408","","","0.1006","0.1091","","","","","","1.021","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122534","8.1718","0.0002","10.9469","0.0004","14.7511","0.0005","90","","90","","90","","1319.57","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Y0.392 Yb0.608 -","- C11 H15 O6 Y0.392 Yb0.608 -","- C44 H60 O24 Y1.568 Yb2.432 -","4","1","","Zhao, Xiang; Wong, Matthew; Mao, Chengyu; Trieu, Thuong Xinh; Zhang, Jian; Feng, Pingyun; Bu, Xianhui","Size-selective crystallization of homochiral camphorate metal-organic frameworks for lanthanide separation.","Journal of the American Chemical Society","2014","136","36","12572","12575","10.1021/ja5067306","","","0.71073","MoKα","","0.0536","0.0406","","","0.0999","0.1052","","","","","","1.061","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122535","7.9426","0.0008","13.8624","0.0019","22.203","0.003","90","","90","","90","","2444.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C96 H96 Br8 N8 O32 -","8","2","","Buyck, Thomas; Wang, Qian; Zhu, Jieping","Triple Role of Phenylselenonyl Group Enabled a One-Pot Synthesis of 1,3-Oxazinan-2-ones From α-Isocyanoacetates, Phenyl Vinyl Selenones, and Water.","Journal of the American Chemical Society","2014","136","32","11524","11528","10.1021/ja506031h","","","0.71073","MoKα","","0.0374","0.0278","","","0.0473","0.0505","","","","","","1.105","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122547","9.45","0.004","13.149","0.005","16.973","0.007","90","","90","","90","","2109","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O4 S2 -","- C22 H23 N O4 S2 -","- C88 H92 N4 O16 S8 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0949","0.0618","","","0.1223","0.1361","","","","","","1.059","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122562","7.0804","0.0013","12.724","0.002","15.486","0.003","90","","90","","90","","1395.1","0.4","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl N O2 S -","- C15 H14 Cl N O2 S -","- C60 H56 Cl4 N4 O8 S4 -","4","1","","Bagchi, Vivek; Paraskevopoulou, Patrina; Das, Purak; Chi, Lingyu; Wang, Qiuwen; Choudhury, Amitava; Mathieson, Jennifer S.; Cronin, Leroy; Pardue, Daniel B.; Cundari, Thomas R.; Mitrikas, George; Sanakis, Yiannis; Stavropoulos, Pericles","A Versatile Tripodal Cu(I) Reagent for C-N Bond Construction via Nitrene-Transfer Chemistry: Catalytic Perspectives and Mechanistic Insights on C-H Aminations/Amidinations and Olefin Aziridinations.","Journal of the American Chemical Society","2014","136","32","11362","11381","10.1021/ja503869j","","","0.71073","MoKα","","0.0618","0.0473","","","0.0999","0.1073","","","","","","1.084","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122568","6.3977","0.0018","8.18","0.002","31.776","0.009","90","","90","","90","","1662.9","0.8","177","2","177","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O S -","- C21 H18 O S -","- C84 H72 O4 S4 -","4","1","","Denmark, Scott E.; Rossi, Sergio; Webster, Matthew P.; Wang, Hao","Catalytic, enantioselective sulfenylation of ketone-derived enoxysilanes.","Journal of the American Chemical Society","2014","136","37","13016","13028","10.1021/ja506133z","","","0.71073","MoKα","","0.0431","0.0327","","","0.0705","0.0753","","","","","","1.047","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122579","12.09","0.002","13.027","0.002","16.282","0.003","90","","90","","90","","2564.4","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 Fe2 O4 P2 S2 -","- C19 H36 Fe2 O4 P2 S2 -","- C76 H144 Fe8 O16 P8 S8 -","4","1","","Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.","Electronic control of the protonation rates of Fe-Fe bonds.","Journal of the American Chemical Society","2014","136","37","13038","13044","10.1021/ja506693m","","x-ray","0.71073","MoKα","","0.027","0.0258","","","0.0532","0.0538","","","","","","1.056","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122598","10.8664","0.0002","17.5792","0.0003","17.7365","0.0003","90","","90","","90","","3388.07","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 Co P2 Si2 -","- C34 H46 Co P2 Si2 -","- C136 H184 Co4 P8 Si8 -","4","1","","Friedfeld, Max R.; Margulieux, Grant W.; Schaefer, Brian A.; Chirik, Paul J.","Bis(phosphine)cobalt dialkyl complexes for directed catalytic alkene hydrogenation.","Journal of the American Chemical Society","2014","136","38","13178","13181","10.1021/ja507902z","","","1.54178","CuKα","","0.0747","0.0735","","","0.2211","0.2221","","","","","","1.092","","","","has coordinates","179027","2020-10-21","18:00:00",""
"4122611","9.1763","0.0003","9.5392","0.0003","17.2775","0.0007","90","","90","","90","","1512.38","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Br N O -","- C16 H26 Br N O -","- C64 H104 Br4 N4 O4 -","4","1","","Lee, Amy S.; Liau, Brian B.; Shair, Matthew D.","A unified strategy for the synthesis of 7-membered-ring-containing Lycopodium alkaloids.","Journal of the American Chemical Society","2014","136","38","13442","13452","10.1021/ja507740u","","","1.54178","CuKα","","0.0159","0.0159","","","0.0428","0.0428","","","","","","1.086","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122629","6.5138","0.0001","8.157","0.0001","25.3751","0.0017","90","","90","","90","","1348.26","0.09","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Han, Jing-Chun; Li, Fuzhuo; Li, Chuang-Chuang","Collective synthesis of humulanolides using a metathesis cascade reaction.","Journal of the American Chemical Society","2014","136","39","13610","13613","10.1021/ja5084927","","","1.54187","CuKα","","","0.056","","","","0.1707","","","","","","1.092","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122630","5.9752","0.0002","13.963","0.0004","17.2188","0.0012","90","","90","","90","","1436.59","0.12","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Han, Jing-Chun; Li, Fuzhuo; Li, Chuang-Chuang","Collective synthesis of humulanolides using a metathesis cascade reaction.","Journal of the American Chemical Society","2014","136","39","13610","13613","10.1021/ja5084927","","","1.54178","CuKα","","0.0689","0.0589","","","0.1376","0.1605","","","","","","1.179","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122644","6.7094","0.0015","15.687","0.004","19.052","0.004","90","","90","","90","","2005.2","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br Cl2 N O3 -","- C21 H18 Br Cl2 N O3 -","- C84 H72 Br4 Cl8 N4 O12 -","4","1","","Zhu, Yunbo; Zhang, Long; Luo, Sanzhong","Asymmetric α-Photoalkylation of β-Ketocarbonyls by Primary Amine Catalysis: Facile Access to Acyclic All-Carbon Quaternary Stereocenters.","Journal of the American Chemical Society","2014","136","42","14642","14645","10.1021/ja508605a","","","0.71073","MoKα","","0.0346","0.0332","","","0.0785","0.0796","","","","","","1.1","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122698","7.4902","0.0009","10.5726","0.0013","21.85","0.002","90","","90","","90","","1730.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O5 -","- C18 H27 N O5 -","- C72 H108 N4 O20 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71074","MoKα","","0.0351","0.033","","","0.0831","0.0843","","","","","","1.04","","","","has coordinates","179028","2020-10-21","18:00:00",""
"4122702","6.1992","0.0004","12.3171","0.0009","30.606","0.0015","90","","90","","90","","2337","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 Cl3 N2 O5 -","- C20 H33 Cl3 N2 O5 -","- C80 H132 Cl12 N8 O20 -","4","1","","Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F.","Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures.","Journal of the American Chemical Society","2014","136","40","14184","","10.1021/ja5074646","","","0.71074","MoKα","","0.049","0.0386","","","0.094","0.1023","","","","","","0.968","","","","has coordinates","179029","2020-10-21","18:00:00",""
"4122797","13.8249","0.0011","16.1166","0.0011","17.3628","0.0017","90","","90","","90","","3868.6","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H60 N4 O7 -","- C38 H60 N4 O7 -","- C152 H240 N16 O28 -","4","1","","Giuliano, Michael W.; Maynard, Stacy J.; Almeida, Aaron M.; Guo, Li; Guzei, Ilia A.; Spencer, Lara C.; Gellman, Samuel H.","A γ-Amino Acid That Favors 12/10-Helical Secondary Structure in α/γ-Peptides.","Journal of the American Chemical Society","2014","136","42","15046","15053","10.1021/ja5076585","","","1.54178","CuKα","","0.0285","0.0282","","","0.0732","0.0735","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122804","6.1199","0.0004","10.7129","0.0007","23.8191","0.0015","90","","90","","90","","1561.62","0.17","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Tollefson, Emily J.; Dawson, David D.; Osborne, Charlotte A.; Jarvo, Elizabeth R.","Stereospecific cross-coupling reactions of aryl-substituted tetrahydrofurans, tetrahydropyrans, and lactones.","Journal of the American Chemical Society","2014","136","42","14951","14958","10.1021/ja5076426","","","0.71073","MoKα","","0.0608","0.0505","","","0.1037","0.1096","","","","","","1.05","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122811","10.0282","0.0008","12.0996","0.0011","14.7064","0.0012","90","","90","","90","","1784.4","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl I N O3 P -","- C17 H18 Cl I N O3 P -","- C68 H72 Cl4 I4 N4 O12 P4 -","4","1","","Toda, Yasunori; Pink, Maren; Johnston, Jeffrey N.","Brønsted Acid catalyzed phosphoramidic Acid additions to alkenes: diastereo- and enantioselective halogenative cyclizations for the synthesis of C- and p-chiral phosphoramidates.","Journal of the American Chemical Society","2014","136","42","14734","14737","10.1021/ja5088584","","","0.71073","MoKα","","0.0231","0.0204","","","0.0393","0.0399","","","","","","1.058","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122833","5.7265","0.0002","12.1931","0.0003","22.4695","0.0005","90","","90","","90","","1568.91","0.08","90","2","90.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C84 H72 O8 -","4","1","","Soldi, Cristian; Lamb, Kellan N.; Squitieri, Richard A.; González-López, Marcos; Di Maso, Michael J.; Shaw, Jared T.","Enantioselective intramolecular C-h insertion reactions of donor-donor metal carbenoids.","Journal of the American Chemical Society","2014","136","43","15142","15145","10.1021/ja508586t","","","1.54178","CuKα","","0.0362","0.0314","","","0.0729","0.075","","","","","","1.085","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122864","7.632","0.0002","7.9748","0.0002","17.8334","0.0005","90","","90","","90","","1085.41","0.05","100","","100","","","","","","","","see paper","3","P 21 21 21","P 2ac 2ab","19","","Title","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Mailhol, Damien; Willwacher, Jens; Kausch-Busies, Nina; Rubitski, Elizabeth E.; Sobol, Zhanna; Schuler, Maik; Lam, My-Hanh; Musto, Sylvia; Loganzo, Frank; Maderna, Andreas; Fürstner, Alois","Synthesis, molecular editing, and biological assessment of the potent cytotoxin leiodermatolide.","Journal of the American Chemical Society","2014","136","44","15719","15729","10.1021/ja508846g","","","1.54178","Cu-Kα","","0.031","0.0291","","","0.0705","0.0714","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122865","8.7417","0.0005","18.3901","0.0009","21.568","0.0011","90","","90","","90","","3467.3","0.3","100","","100","","","","","","","","dichloromethane,diethylether","4","P 21 21 21","P 2ac 2ab","19","","Title","","- C34 H53 N O9 -","- C34 H53 N O9 -","- C136 H212 N4 O36 -","4","1","","Mailhol, Damien; Willwacher, Jens; Kausch-Busies, Nina; Rubitski, Elizabeth E.; Sobol, Zhanna; Schuler, Maik; Lam, My-Hanh; Musto, Sylvia; Loganzo, Frank; Maderna, Andreas; Fürstner, Alois","Synthesis, molecular editing, and biological assessment of the potent cytotoxin leiodermatolide.","Journal of the American Chemical Society","2014","136","44","15719","15729","10.1021/ja508846g","","","1.54178","Cu-Kα","","0.0284","0.0274","","","0.0666","0.0673","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122879","10.4745","0.0004","13.2976","0.0005","33.3082","0.0013","90","","90","","90","","4639.4","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","S1","S1","","- C30 H32 O -","- C30 H32 O -","- C240 H256 O8 -","8","2","","Chen, Wenyong; Chen, Ming; Hartwig, John F.","Diastereo- and Enantioselective Iridium-Catalyzed Allylation of Cyclic Ketone Enolates: Synergetic Effect of Ligands and Barium Enolates.","Journal of the American Chemical Society","2014","","","141030073216002","","10.1021/ja506500u","","","1.54178","CuKα","","0.0712","0.0673","","","0.1792","0.182","","","","","","1.067","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4122882","7.134","0.0002","10.6384","0.0003","21.0677","0.0007","90","","90","","90","","1598.92","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MGC-109","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","1","","Parra, Alejandro; Amenós, Laura; Guisán-Ceinos, Manuel; López, Aurora; García Ruano, José Luis; Tortosa, Mariola","Copper-Catalyzed Diastereo- and Enantioselective Desymmetrization of Cyclopropenes: Synthesis of Cyclopropylboronates.","Journal of the American Chemical Society","2014","","","141031133923007","","10.1021/ja510419z","","","0.71073","","","0.0573","0.0423","","","0.1202","0.138","","","","","","1.018","","","","has coordinates","179030","2020-10-21","18:00:00",""
"4122884","9.7425","0.0002","13.7693","0.0004","20.5477","0.0006","90","","90","","90","","2756.42","0.13","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl2 N2 O2 Pt S -","- C27 H36 Cl2 N2 O2 Pt S -","- C108 H144 Cl8 N8 O8 Pt4 S4 -","4","1","","Miura, Tomoya; Nakamuro, Takayuki; Liang, Chia-Jung; Murakami, Masahiro","Synthesis of trans-Cycloalkenes via Enantioselective Cyclopropanation and Skeletal Rearrangement.","Journal of the American Chemical Society","2014","","","141031153715006","","10.1021/ja5096045","","","0.71075","MoKα","","0.0352","0.0332","","","0.0702","0.0713","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4122899","15.657","0.009","20.034","0.011","26.302","0.015","90","","90","","90","","8250","8","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C96 H77 O3 -","- C96 H77 O3 -","- C384 H308 O12 -","4","1","","Matsui, Katsuma; Segawa, Yasutomo; Itami, Kenichiro","All-Benzene Carbon Nanocages: Size-Selective Synthesis, Photophysical Properties, and Crystal Structure.","Journal of the American Chemical Society","2014","","","141107064945005","","10.1021/ja509880v","","","0.71075","MoKα","","0.2632","0.1884","","","0.3944","0.447","","","","","","1.253","","","","has coordinates,has disorder","179030","2020-10-21","18:00:00",""
"4122906","7.2422","0.0001","9.7575","0.0001","20.2541","0.0003","90","","90","","90","","1431.27","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Yeung, Charles S.; Ziegler, Robert E.; Porco, Jr, John A; Jacobsen, Eric N.","Thiourea-catalyzed enantioselective addition of indoles to pyrones: alkaloid cores with quaternary carbons.","Journal of the American Chemical Society","2014","136","39","13614","13617","10.1021/ja508523g","","","1.54178","CuKα","","0.0233","0.0226","","","0.0537","0.0543","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122923","4.9777","0.0004","9.2119","0.0007","21.6756","0.0018","90","","90","","90","","993.91","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ZW05163","toste107","","- C10 H10 Br F O -","- C10 H10 Br F O -","- C40 H40 Br4 F4 O4 -","4","1","","Zi, Weiwei; Wang, Yi-Ming; Toste, F. Dean","An in situ directing group strategy for chiral anion phase-transfer fluorination of allylic alcohols.","Journal of the American Chemical Society","2014","136","37","12864","12867","10.1021/ja507468u","","","1.54178","CuKα","","0.1288","0.1034","","","0.2596","0.2816","","","","","","1.066","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4122935","5.7402","0.0004","14.357","0.001","22.6404","0.0017","90","","90","","90","","1865.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br O2 Se -","- C22 H19 Br O2 Se -","- C88 H76 Br4 O8 Se4 -","4","1","","Zhang, Hu; Lin, Song; Jacobsen, Eric N.","Enantioselective Selenocyclization via Dynamic Kinetic Resolution of Seleniranium Ions by Hydrogen-Bond Donor Catalysts.","Journal of the American Chemical Society","2014","","","141112110859008","","10.1021/ja510113s","","","0.71073","MoKα","","0.024","0.0205","","","0.0435","0.0444","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4122951","12.4294","0.0013","22.99","0.003","23.405","0.003","90","","90","","90","","6688","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H26 F24 O24 S8 -","- C56 H26 F24 O24 S8 -","- C224 H104 F96 O96 S32 -","4","1","","Mathew, Sanyo; Crandall, Laura A.; Ziegler, Christopher J.; Hartley, C. Scott","Enhanced Helical Folding of ortho-Phenylenes through the Control of Aromatic Stacking Interactions.","Journal of the American Chemical Society","2014","","","141117142844002","","10.1021/ja509902m","","","0.71073","MoKα","","0.056","0.0477","","","0.1287","0.1367","","","","","","1.011","","","","has coordinates","179031","2020-10-21","18:00:00",""
"4122997","13.0108","0.0013","13.0547","0.0013","37.484","0.004","90","","90","","90","","6366.7","1.1","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C67 H52 B F24 N3 Ni O2 -","- C67 H52 B F24 N3 Ni O2 -","- C268 H208 B4 F96 N12 Ni4 O8 -","4","1","","Schley, Nathan D.; Fu, Gregory C.","Nickel-Catalyzed Negishi Arylations of Propargylic Bromides: A Mechanistic Investigation.","Journal of the American Chemical Society","2014","","","141117163347008","","10.1021/ja508718m","","","0.71073","MoKα","","0.0568","0.04","","","0.0777","0.0848","","","","","","1.026","","","","has coordinates,has disorder","179031","2020-10-21","18:00:00",""
"4123024","10.1545","0.0003","10.4775","0.0003","38.4179","0.001","90","","90","","90","","4087.4","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 F3 N O -","- C22 H26 F3 N O -","- C176 H208 F24 N8 O8 -","8","2","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","0.71073","MoKα","","0.0813","0.0505","","","0.0929","0.1047","","","","","","1.01","","","","has coordinates,has disorder","179032","2020-10-21","18:00:00",""
"4123026","9.4867","0.0015","9.7387","0.0015","20.945","0.003","90","","90","","90","","1935.1","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 F3 N O2 -","- C21 H24 F3 N O2 -","- C84 H96 F12 N4 O8 -","4","1","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","1.54178","CuKα","","0.0339","0.0337","","","0.0968","0.097","","","","","","1.153","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123028","9.9486","0.0002","13.0728","0.0003","16.3326","0.0004","90","","90","","90","","2124.15","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O2 -","- C27 H32 O2 -","- C108 H128 O8 -","4","1","","Watson, Charlotte G.; Balanta, Angelica; Elford, Tim G.; Essafi, Stéphanie; Harvey, Jeremy N.; Aggarwal, Varinder K.","Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation.","Journal of the American Chemical Society","2014","","","141203101453003","","10.1021/ja509029h","","","0.71073","MoKα","","0.0396","0.0333","","","0.0732","0.0763","","","","","","1.024","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123039","11.954","0.0004","19.277","0.0008","19.413","0.0004","90","","90","","90","","4473.5","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Moris382","","","- C29 H74 N6 Si6 U -","- C29 H74 N6 Si6 U -","- C116 H296 N24 Si24 U4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0407","0.0351","","","0.0713","0.0728","","","","","","1.124","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123040","11.954","0.0004","19.277","0.0008","19.413","0.0004","90","","90","","90","","4473.5","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Moris383","","","- C29 H74 N6 Si6 Th -","- C29 H74 N6 Si6 Th -","- C116 H296 N24 Si24 Th4 -","4","1","","Karmel, Isabell S. R.; Fridman, Natalia; Tamm, Matthias; Eisen, Moris S.","Mono(imidazolin-2-iminato) Actinide Complexes: Synthesis and Application in the Catalytic Dimerization of Aldehydes","Journal of the American Chemical Society","2014","136","49","17180","17192","10.1021/ja5091436","","","0.71073","MoKα","","0.0494","0.0423","","","0.0608","0.0622","","","","","","1.164","","","","has coordinates","189366","2020-10-21","18:00:00",""
"4123086","10.8518","0.001","14.8683","0.0014","21.679","0.002","90","","90","","90","","3497.9","0.6","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H47 Cl Co N2 P -","- C41 H47 Cl Co N2 P -","- C164 H188 Cl4 Co4 N8 P4 -","4","1","","Mo, Zhenbo; Xiao, Jie; Gao, Yafei; Deng, Liang","Regio- and Stereoselective Hydrosilylation of Alkynes Catalyzed by Three-Coordinate Cobalt(I) Alkyl and Silyl Complexes.","Journal of the American Chemical Society","2014","","","141209075314002","","10.1021/ja510924v","","","0.71073","MoKα","","0.0346","0.028","","","0.0647","0.067","","","","","","1.01","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123091","6.8511","0.0005","11.9553","0.0009","16.4478","0.0012","90","","90","","90","","1347.19","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Yao, Weijun; Dou, Xiaowei; Lu, Yixin","Highly Enantioselective Synthesis of 3,4-Dihydropyrans through a Phosphine-Catalyzed [4+2] Annulation of Allenones and β,γ-Unsaturated α-Keto Esters.","Journal of the American Chemical Society","2015","137","1","54","57","10.1021/ja5109358","","","1.54178","CuKα","","0.0365","0.0364","","","0.0894","0.0895","","","","","","1.126","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123092","5.5979","0.0006","11.4138","0.0013","23.919","0.003","90","","90","","90","","1528.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Yao, Weijun; Dou, Xiaowei; Lu, Yixin","Highly Enantioselective Synthesis of 3,4-Dihydropyrans through a Phosphine-Catalyzed [4+2] Annulation of Allenones and β,γ-Unsaturated α-Keto Esters.","Journal of the American Chemical Society","2015","137","1","54","57","10.1021/ja5109358","","","1.54178","CuKα","","0.0284","0.028","","","0.0854","0.0876","","","","","","2.024","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123095","14.381","0.002","14.514","0.002","17.253","0.003","90","","90","","90","","3601.1","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H53 Fe N2 O Sc Si2 -","- C33 H53 Fe N2 O Sc Si2 -","- C132 H212 Fe4 N8 O4 Sc4 Si8 -","4","1","","Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.","Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.","Journal of the American Chemical Society","2014","","","141208061549006","","10.1021/ja510761j","","","0.71073","MoKα","","0.0675","0.0584","","","0.1634","0.1744","","","","","","1.035","","","","has coordinates","179032","2020-10-21","18:00:00",""
"4123106","5.7636","0.0002","16.0522","0.0004","28.0601","0.0007","90","","90","","90","","2596.08","0.13","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 Br N O4 -","- C27 H32 Br N O4 -","- C108 H128 Br4 N4 O16 -","4","1","","Badiola, Eider; Fiser, Béla; Gómez-Bengoa, Enrique; Mielgo, Antonia; Olaizola, Iurre; Urruzuno, Iñaki; García, Jesús M; Odriozola, José M; Razkin, Jesús; Oiarbide, Mikel; Palomo, Claudio","Enantioselective Construction of Tetrasubstituted Stereogenic Carbons through Brønsted Base Catalyzed Michael Reactions: α'-Hydroxy Enones as Key Enoate Equivalent.","Journal of the American Chemical Society","2014","","","141209140339003","","10.1021/ja510603w","","x-ray","0.71073","MoKα","","0.053","0.0445","","","0.0934","0.0967","","","","","","1.103","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123132","7.4932","0.0019","14.893","0.004","20.397","0.006","90","","90","","90","","2276.2","1.1","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 B F2 N3 O2 -","- C27 H20 B F2 N3 O2 -","- C108 H80 B4 F8 N12 O8 -","4","1","","Yoshii, Ryousuke; Hirose, Amane; Tanaka, Kazuo; Chujo, Yoshiki","Functionalization of Boron Diiminates with Unique Optical Properties: Multicolor Tuning of Crystallization-Induced Emission and Introduction into the Main Chain of Conjugated Polymers.","Journal of the American Chemical Society","2014","","","141218122017004","","10.1021/ja510985v","","","0.71075","MoKα","","0.132","0.0656","","","0.1108","0.1308","","","","","","1.017","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123143","5.46","0.002","19.858","0.007","25.535","0.01","90","","90","","90","","2768.6","1.8","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16.5 Br O3 -","- C13 H16.5 Br O3 -","- C104 H132 Br8 O24 -","8","2","","Guptill, David M.; Davies, Huw M. L.","2,2,2-Trichloroethyl Aryldiazoacetates as Robust Reagents for the Enantioselective C-H Functionalization of Methyl Ethers.","Journal of the American Chemical Society","2014","","","141215145223006","","10.1021/ja5107404","","","0.71073","MoKα","","0.1946","0.0886","","","0.1995","0.2831","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123155","10.1405","0.00018","11.5825","0.0002","18.6098","0.0004","90","","90","","90","","2185.76","0.07","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 F3 N3 O3 -","- C22 H24 F3 N3 O3 -","- C88 H96 F12 N12 O12 -","4","1","","Yin, Liang; Brewitz, Lennart; Kumagai, Naoya; Shibasaki, Masakatsu","Catalytic Generation of α-CF3 Enolate: Direct Catalytic Asymmetric Mannich-Type Reaction of α-CF3 Amide.","Journal of the American Chemical Society","2014","","","141219122731002","","10.1021/ja511458k","","","1.54187","CuKα","","","0.028","","","","0.0597","","","","","","1.051","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123191","11.5681","0.0004","12.5973","0.0004","13.5922","0.0005","90","","90","","90","","1980.75","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl O4 S -","- C21 H23 Cl O4 S -","- C84 H92 Cl4 O16 S4 -","4","1","","Goodman, C. Guy; Walker, Morgan M.; Johnson, Jeffrey S.","Enantioconvergent Synthesis of Functionalized γ-Butyrolactones via (3 + 2)-Annulation.","Journal of the American Chemical Society","2015","137","1","122","125","10.1021/ja511701j","","","1.54178","CuKα","","0.0281","0.0273","","","0.072","0.0725","","","","","","1.06","","","","has coordinates","179033","2020-10-21","18:00:00",""
"4123200","6.4436","0.0004","15.2933","0.001","19.2668","0.0014","90","","90","","90","","1898.6","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.1184","0.0582","","","0.098","0.1186","","","","","","0.982","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123202","9.8946","0.0007","13.0231","0.0009","27.7287","0.0019","90","","90","","90","","3573.1","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C176 H184 N8 O24 -","8","2","","Shaw, Megan H.; McCreanor, Niall G.; Whittingham, William G.; Bower, John F.","Reversible C-C bond activation enables stereocontrol in rh-catalyzed carbonylative cycloadditions of aminocyclopropanes.","Journal of the American Chemical Society","2015","137","1","463","468","10.1021/ja511335v","","","0.71073","MoKα","","0.043","0.0364","","","0.0882","0.0925","","","","","","1.03","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123215","13.2568","0.0006","18.3985","0.0008","24.2209","0.0011","90","","90","","90","","5907.6","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H64 N2 Pt Sn3 -","- C64 H64 N2 Pt Sn3 -","- C256 H256 N8 Pt4 Sn12 -","4","1","","Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor","Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).","Journal of the American Chemical Society","2015","137","1","445","456","10.1021/ja511295h","","","0.71073","MoKα","","0.0654","0.0487","","","0.1075","0.1146","","","","","","1.048","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123277","8.33405","0.00008","11.10306","0.00009","27.9805","0.0003","90","","90","","90","","2589.13","0.04","99.9","0.2","99.9","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 N O3 S -","- C32 H29 N O3 S -","- C128 H116 N4 O12 S4 -","4","1","","Qian, Hui; Zhao, Wanxiang; Wang, Zhaobin; Sun, Jianwei","Organocatalytic enantio- and diastereoselective synthesis of 1,2-dihydronaphthalenes from isobenzopyrylium ions.","Journal of the American Chemical Society","2015","137","2","560","563","10.1021/ja509824j","","x-ray","1.5418","CuKα","","0.0246","0.024","","","0.0599","0.0604","","","","","","1.002","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123278","7.1317","0.0003","16.5484","0.0007","33.672","0.0014","90","","90","","90","","3973.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 O4.5 -","- C24 H31 O4.5 -","- C192 H248 O36 -","8","2","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54174","CuKα","","0.0481","0.0429","","","0.1075","0.1109","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4123283","7.8008","0.0006","11.8602","0.0008","21.0411","0.0012","90","","90","","90","","1946.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Cl F O5 -","- C22 H27 Cl F O5 -","- C88 H108 Cl4 F4 O20 -","4","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0474","0.0457","","","0.1258","0.1276","","","","","","1.084","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123284","8.8935","0.0007","10.0417","0.0008","36.708","0.003","90","","90","","90","","3278.2","0.5","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 O7 -","- C40 H48 O7 -","- C160 H192 O28 -","4","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","0.71073","MoKα","","0.0406","0.037","","","0.0913","0.0933","","","","","","1.048","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123285","5.8468","0.0002","9.0154","0.0003","29.9693","0.001","90","","90","","90","","1579.72","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Renata, Hans; Zhou, Qianghui; Dünstl, Georg; Felding, Jakob; Merchant, Rohan R.; Yeh, Chien-Hung; Baran, Phil S.","Development of a concise synthesis of ouabagenin and hydroxylated corticosteroid analogues.","Journal of the American Chemical Society","2015","137","3","1330","1340","10.1021/ja512022r","","","1.54178","CuKα","","0.0312","0.0289","","","0.0689","0.0705","","","","","","1.039","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123286","11.65611","0.00012","13.084","0.00014","32.0786","0.0003","90","","90","","90","","4892.26","0.09","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cl Ir O2 P2 -","- C58 H54 Cl Ir O2 P2 -","- C232 H216 Cl4 Ir4 O8 P8 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","1.54184","CuKα","","0.0352","0.0326","","","0.0802","0.0827","","","","","","1.062","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123287","8.09492","0.00015","16.2329","0.0004","16.8117","0.0003","90","","90","","90","","2209.13","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Cl Ir P -","- C26 H27 Cl Ir P -","- C104 H108 Cl4 Ir4 P4 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","0.71073","MoKα","","0.0313","0.0288","","","0.0513","0.0527","","","","","","1.012","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123290","12.322","0.0002","15.223","0.0003","21.1066","0.0003","90","","90","","90","","3959.13","0.12","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H35 Cl4 Ir O P2 -","- C46 H35 Cl4 Ir O P2 -","- C184 H140 Cl16 Ir4 O4 P8 -","4","1","","Olsen, Esben P. K.; Singh, Thishana; Harris, Pernille; Andersson, Pher G.; Madsen, Robert","Experimental and theoretical mechanistic investigation of the iridium-catalyzed dehydrogenative decarbonylation of primary alcohols.","Journal of the American Chemical Society","2015","137","2","834","842","10.1021/ja5106943","","","0.71073","MoKα","","0.0268","0.024","","","0.0512","0.0523","","","","","","1.038","","","","has coordinates","179034","2020-10-21","18:00:00",""
"4123314","10.0503","0.0002","13.3666","0.0003","18.3455","0.0004","90","","90","","90","","2464.5","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 F4 N2 O3 P -","- C28 H21 F4 N2 O3 P -","- C112 H84 F16 N8 O12 P4 -","4","1","","Du, Zhi-Jun; Guan, Jing; Wu, Guo-Jie; Xu, Peng; Gao, Lian-Xun; Han, Fu-She","Pd(II)-Catalyzed Enantioselective Synthesis of P-Stereogenic Phosphinamides via Desymmetric C-H Arylation.","Journal of the American Chemical Society","2015","137","2","632","635","10.1021/ja512029x","","","1.54178","CuKα","","0.0374","0.0322","","","0.0715","0.0738","","","","","","1.051","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123324","13.3723","0.0006","14.617","0.0007","18.6235","0.0008","90","","90","","90","","3640.2","0.3","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 Cu F12 N8 O5 P2 -","- C27 H42 Cu F12 N8 O5 P2 -","- C108 H168 Cu4 F48 N32 O20 P8 -","4","1","","Garcia, Ludivine; Cisnetti, Federico; Gillet, Natacha; Guillot, Régis; Aumont-Nicaise, Magali; Piquemal, Jean-Philip; Desmadril, Michel; Lambert, François; Policar, Clotilde","Entasis through Hook-and-Loop Fastening in a Glycoligand with Cumulative Weak Forces Stabilizing Cu(I.).","Journal of the American Chemical Society","2015","137","3","1141","1146","10.1021/ja510259p","","x-ray","0.71073","MoKα","","0.0645","0.0479","","","0.1341","0.1422","","","","","","1.049","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123328","7.096","0.001","10.382","0.0015","15.619","0.002","90","","90","","90","","1150.7","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Manna, Madhu Sudan; Mukherjee, Santanu","Organocatalytic Enantioselective Formal C(sp(2))-H Alkylation.","Journal of the American Chemical Society","2015","137","1","130","133","10.1021/ja5117556","","","0.71073","MoKα","","0.0408","0.0387","","","0.0999","0.1016","","","","","","1.07","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123330","10.414","0.002","17.913","0.002","27.306","0.003","90","","90","","90","","5093.8","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H71 Cl2 N2 P Si -","- C54 H71 Cl2 N2 P Si -","- C216 H284 Cl8 N8 P4 Si4 -","4","1","","Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W.","Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition.","Journal of the American Chemical Society","2015","137","1","150","153","10.1021/ja512089e","","","0.71073","MoKα","","0.042","0.0334","","","0.0696","0.0738","","","","","","1.071","","","","has coordinates,has disorder","179035","2020-10-21","18:00:00",""
"4123333","5.8876","0.0012","9.822","0.002","15.882","0.003","90","","90","","90","","918.4","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Br N2 -","- C9 H11 Br N2 -","- C36 H44 Br4 N8 -","4","1","","Guo, Cui; Sun, Dong-Wei; Yang, Shuang; Mao, Shen-Jie; Xu, Xiao-Hua; Zhu, Shou-Fei; Zhou, Qi-Lin","Iridium-catalyzed asymmetric hydrogenation of 2-pyridyl cyclic imines: a highly enantioselective approach to nicotine derivatives.","Journal of the American Chemical Society","2015","137","1","90","93","10.1021/ja511422q","","","0.71073","MoKα","","0.0298","0.0259","","","0.0418","0.0427","","","","","","1.027","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123334","19.496","0.004","21.323","0.004","21.734","0.004","90","","90","","90","","9035","3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C94 H88 B F24 Ir N O P -","- C94 H88 B F24 Ir N O P -","- C376 H352 B4 F96 Ir4 N4 O4 P4 -","4","1","","Guo, Cui; Sun, Dong-Wei; Yang, Shuang; Mao, Shen-Jie; Xu, Xiao-Hua; Zhu, Shou-Fei; Zhou, Qi-Lin","Iridium-catalyzed asymmetric hydrogenation of 2-pyridyl cyclic imines: a highly enantioselective approach to nicotine derivatives.","Journal of the American Chemical Society","2015","137","1","90","93","10.1021/ja511422q","","","0.71073","MoKα","","0.1127","0.064","","","0.08","0.0908","","","","","","1.005","","","","has coordinates,has disorder","204144","2020-10-21","18:00:00",""
"4123350","8.5357","0.0004","12.1128","0.0006","16.2384","0.0008","90","","90","","90","","1678.91","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Hernández-Linares, María Guadalupe; Guerrero-Luna, Gabriel; Pérez-Estrada, Salvador; Ellison, Martha; Ortin, Maria-Mar; Garcia-Garibay, Miguel A","Large-scale green chemical synthesis of adjacent quaternary chiral centers by continuous flow photodecarbonylation of aqueous suspensions of nanocrystalline ketones.","Journal of the American Chemical Society","2015","137","4","1679","1684","10.1021/ja512524j","","","0.71073","MoKα","","0.0284","0.0266","","","0.0678","0.0694","","","","","","1.04","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123355","9.94535","0.00018","10.8292","0.0002","24.7162","0.0005","90","","90","","90","","2661.94","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 Br O5 -","- C32 H27 Br O5 -","- C128 H108 Br4 O20 -","4","1","","Odagi, Minami; Furukori, Kota; Yamamoto, Yoshiharu; Sato, Makoto; Iida, Keisuke; Yamanaka, Masahiro; Nagasawa, Kazuo","Origin of Stereocontrol in Guanidine-Bisurea Bifunctional Organocatalyst That Promotes α-Hydroxylation of Tetralone-Derived β-Ketoesters: Asymmetric Synthesis of β- and γ-Substituted Tetralone Derivatives via Organocatalytic Oxidative Kinetic Resolution.","Journal of the American Chemical Society","2015","137","5","1909","1915","10.1021/ja511149y","","","1.54187","CuKα","","0.0264","0.0253","","","0.063","0.0636","","","","","","1.079","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123360","8.0459","0.0009","12.9424","0.0015","17.2406","0.0019","90","","90","","90","","1795.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O2 S -","- C19 H27 N O2 S -","- C76 H108 N4 O8 S4 -","4","1","","Chen, Te-Yu; Tsutsumi, Ryosuke; Montgomery, T. Patrick; Volchkov, Ivan; Krische, Michael J.","Ruthenium-Catalyzed C-C Coupling of Amino Alcohols with Dienes via Transfer Hydrogenation: Redox-Triggered Imine Addition and Related Hydroaminoalkylations.","Journal of the American Chemical Society","2015","137","5","1798","1801","10.1021/ja5130258","","","0.71073","MoKα","","0.0826","0.0685","","","0.1336","0.141","","","","","","1.109","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123372","8.1865","0.0003","14.3317","0.0005","14.6585","0.0005","90","","90","","90","","1719.83","0.1","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0415","0.0326","","","0.0773","0.0803","","","","","","1.039","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123373","8.9579","0.0001","13.2324","0.0002","14.6009","0.0002","90","","90","","90","","1730.71","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0547","0.0435","","","0.1156","0.1215","","","","","","1.078","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123374","8.9727","0.0004","13.3086","0.0006","14.6196","0.0006","90","","90","","90","","1745.79","0.13","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0537","0.0448","","","0.1249","0.1314","","","","","","1.043","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123375","9.001","0.0005","13.3871","0.0008","14.6429","0.0008","90","","90","","90","","1764.43","0.17","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0669","0.0502","","","0.1387","0.1494","","","","","","1.042","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123376","9.024","0.005","13.453","0.008","14.672","0.008","90","","90","","90","","1781.2","1.7","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0791","0.0531","","","0.1487","0.1622","","","","","","1.064","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123377","9.039","0.001","13.468","0.001","14.67","0.001","90","","90","","90","","1785.9","0.3","330","2","330","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0876","0.053","","","0.1435","0.1656","","","","","","0.962","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123378","4.4135","0.0007","9.1662","0.0014","14.753","0.002","90","","90","","90","","596.83","0.15","353","2","353","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.082","0.0576","","","0.1644","0.1797","","","","","","1.064","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123379","8.2013","0.0008","14.3479","0.0014","14.6577","0.0013","90","","90","","90","","1724.8","0.3","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0529","0.0377","","","0.0875","0.0928","","","","","","1.016","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123380","8.9496","0.0003","13.2294","0.0004","14.5958","0.0005","90","","90","","90","","1728.11","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0514","0.0407","","","0.0999","0.1065","","","","","","1.03","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123381","8.9685","0.0011","13.3051","0.0019","14.6126","0.0019","90","","90","","90","","1743.7","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","d-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.1288","0.0612","","","0.1106","0.1249","","","","","","0.976","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123382","8.988","0.004","13.378","0.005","14.62","0.006","90","","90","","90","","1757.9","1.3","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","d-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.1011","0.0515","","","0.108","0.1229","","","","","","1.026","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123383","9.0121","0.0012","13.4568","0.0018","14.6634","0.0018","90","","90","","90","","1778.3","0.4","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0624","0.0448","","","0.1097","0.1169","","","","","","1.06","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123384","9.0379","0.0009","13.4729","0.0014","14.6797","0.0013","90","","90","","90","","1787.5","0.3","331","2","331","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C60 H84 N12 O36 -","12","3","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0652","0.043","","","0.1068","0.1155","","","","","","0.999","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123385","4.425","0.001","9.162","0.002","14.747","0.003","90","","90","","90","","597.9","0.2","361","2","361","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","D-pyroglutamic acid","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče","Perpetually self-propelling chiral single crystals.","Journal of the American Chemical Society","2015","137","5","1895","1902","10.1021/ja5111927","","","0.71073","MoKα","","0.0848","0.0507","","","0.151","0.1664","","","","","","1.019","","","","has coordinates","179035","2020-10-21","18:00:00",""
"4123404","8.2721","0.001","11.0861","0.0013","40.398","0.005","90","","90","","90","","3704.7","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 O4 -","- C48 H54 O4 -","- C192 H216 O16 -","4","1","","Pérez-Estrada, Salvador; Rodr\?íguez-Molina, Braulio; Xiao, Leilei; Santillan, Rosa; Jiménez-Osés, Gonzalo; Houk, K. N.; Garcia-Garibay, Miguel A","Thermodynamic Evaluation of Aromatic CH/π Interactions and Rotational Entropy in a Molecular Rotor.","Journal of the American Chemical Society","2015","137","6","2175","2178","10.1021/ja512053t","","","0.71073","MoKα","","0.0748","0.0484","","","0.0938","0.1035","","","","","","1.02","","","","has coordinates,has disorder","179036","2020-10-21","18:00:00",""
"4123408","9.7066","0.0001","18.4257","0.0002","20.1642","0.0002","90","","90","","90","","3606.39","0.06","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-N-isopropyl-N-methyl-2-ammonium-2'-bis(pentafluorophenyl)- hydroborate-1,1'-binaphthalen","","- C43 H32 B F10 N -","- C43 H32 B F10 N -","- C172 H128 B4 F40 N4 -","4","1","","Lindqvist, Markus; Borre, Katja; Axenov, Kirill; Kótai, Bianka; Nieger, Martin; Leskelä, Markku; Pápai, Imre; Repo, Timo","Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation.","Journal of the American Chemical Society","2015","137","12","4038","4041","10.1021/ja512658m","","","1.54178","CuKα","","0.0354","0.0342","","","0.0883","0.0899","","","","","","1.042","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123409","9.7075","0.0001","18.431","0.0002","20.1405","0.0003","90","","90","","90","","3603.52","0.08","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-isopropyl-N-methyl-2-ammonium-2'-bis(pentafluorophenyl)- hydroborate-1,1'-binaphthalen","","- C43 H32 B F10 N -","- C43 H32 B F10 N -","- C172 H128 B4 F40 N4 -","4","1","","Lindqvist, Markus; Borre, Katja; Axenov, Kirill; Kótai, Bianka; Nieger, Martin; Leskelä, Markku; Pápai, Imre; Repo, Timo","Chiral molecular tweezers: synthesis and reactivity in asymmetric hydrogenation.","Journal of the American Chemical Society","2015","137","12","4038","4041","10.1021/ja512658m","","","1.54178","CuKα","","0.0398","0.0386","","","0.1009","0.1025","","","","","","1.023","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123436","11.2023","0.0002","18.1981","0.0004","20.3347","0.0004","90","","90","","90","","4145.44","0.14","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H48 Fe N6 O2 Si -","- C47 H48 Fe N6 O2 Si -","- C188 H192 Fe4 N24 O8 Si4 -","4","1","","Bleith, Tim; Wadepohl, Hubert; Gade, Lutz H.","Iron achieves noble metal reactivity and selectivity: highly reactive and enantioselective iron complexes as catalysts in the hydrosilylation of ketones.","Journal of the American Chemical Society","2015","137","7","2456","2459","10.1021/ja512986m","","x-ray","0.71073","MoKα","","0.0682","0.0481","","","0.1047","0.1125","","","","","","1.052","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123440","6.426","0.002","18.229","0.007","20.879","0.007","90","","90","","90","","2445.8","1.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Br N2 O3 -","- C26 H31 Br N2 O3 -","- C104 H124 Br4 N8 O12 -","4","1","","Ruiz Espelt, Laura; McPherson, Iain S.; Wiensch, Eric M.; Yoon, Tehshik P.","Enantioselective Conjugate Additions of α-Amino Radicals via Cooperative Photoredox and Lewis Acid Catalysis.","Journal of the American Chemical Society","2015","137","7","2452","2455","10.1021/ja512746q","","x-ray","0.71073","MoKα","","0.0484","0.0362","","","0.0721","0.076","","","","","","1.041","","","","has coordinates","179036","2020-10-21","18:00:00",""
"4123501","6.9513","0.0014","8.9094","0.0019","22.121","0.005","90","","90","","90","","1370","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 B10 -","- C9 H16 B10 -","- C36 H64 B40 -","4","1","","Quan, Yangjian; Xie, Zuowei","Palladium-Catalyzed Regioselective Intramolecular Coupling of o-Carborane with Aromatics via Direct Cage B-H Activation.","Journal of the American Chemical Society","2015","","","150310140942007","","10.1021/jacs.5b01169","","","0.71073","MoKα","","0.1256","0.0861","","","0.1975","0.2237","","","","","","1.032","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123502","7.6742","0.0011","11.2836","0.0015","16.041","0.002","90","","90","","90","","1389","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 B10 -","- C9 H16 B10 -","- C36 H64 B40 -","4","1","","Quan, Yangjian; Xie, Zuowei","Palladium-Catalyzed Regioselective Intramolecular Coupling of o-Carborane with Aromatics via Direct Cage B-H Activation.","Journal of the American Chemical Society","2015","","","150310140942007","","10.1021/jacs.5b01169","","","0.71073","MoKα","","0.0904","0.0693","","","0.1746","0.1989","","","","","","1.041","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123504","9.5916","0.0004","11.3171","0.0005","18.2254","0.0008","90","","90","","90","","1978.35","0.15","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O3 Si -","- C21 H32 O3 Si -","- C84 H128 O12 Si4 -","4","1","","Shvartsbart, Artem; Smith, 3rd, Amos B","The daphniphyllum alkaloids: total synthesis of (-)-calyciphylline N.","Journal of the American Chemical Society","2015","137","10","3510","3519","10.1021/ja503899t","","","0.71073","MoKα","","0.0288","0.0278","","","0.0756","0.0762","","","","","","1.051","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123546","6.3483","0.0004","8.5872","0.0005","35.965","0.002","90","","90","","90","","1960.6","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O2 Si -","- C21 H32 O2 Si -","- C84 H128 O8 Si4 -","4","1","","Shvartsbart, Artem; Smith, 3rd, Amos B","The daphniphyllum alkaloids: total synthesis of (-)-calyciphylline N.","Journal of the American Chemical Society","2015","137","10","3510","3519","10.1021/ja503899t","","","0.71073","MoKα","","0.0312","0.0303","","","0.0768","0.0777","","","","","","1.081","","","","has coordinates","179037","2020-10-21","18:00:00",""
"4123564","5.7018","0.0002","14.0359","0.0004","31.5795","0.001","90","","90","","90","","2527.3","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 Cl I O8 S -","- C23 H30 Cl I O8 S -","- C92 H120 Cl4 I4 O32 S4 -","4","1","","Yan, Wuming; Li, Zhanjie; Kishi, Yoshito","Selective activation/coupling of polyhalogenated nucleophiles in ni/cr-mediated reactions: synthesis of c1-c19 building block of halichondrin bs.","Journal of the American Chemical Society","2015","137","19","6219","6225","10.1021/jacs.5b03498","","","1.54178","CuKα","","0.0547","0.0531","","","0.1509","0.1516","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123568","18.0117","0.0002","27.284","0.0005","28.0044","0.0005","90","","90","","90","","13762.2","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84.5 H186 Mo18 N7.5 O60 S2 -","- C84.5 H186 Mo18 N7.5 O60 S2 -","- C338 H744 Mo72 N30 O240 S8 -","4","1","","Nakamura, Ippei; Miras, Haralampos N.; Fujiwara, Aya; Fujibayashi, Masaru; Song, Yu-Fei; Cronin, Leroy; Tsunashima, Ryo","Investigating the formation of ""molybdenum blues"" with gel electrophoresis and mass spectrometry.","Journal of the American Chemical Society","2015","137","20","6524","6530","10.1021/ja512758j","","","0.7107","MoKα","","0.068","0.0666","","","0.1882","0.1924","","","","","","1.439","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123587","6.5577","0.0008","7.6142","0.001","25.315","0.003","90","","90","","90","","1264","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-dinitrophenol 4-methylpyridine-N-oxide","","- C12 H11 N3 O6 -","- C12 H11 N3 O6 -","- C48 H44 N12 O24 -","4","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0694","0.0428","","","0.0948","0.1044","","","","","","1.025","","","","has coordinates","138257","2020-10-21","18:00:00",""
"4123588","6.8204","0.0013","7.4543","0.0014","28.371","0.005","90","","90","","90","","1442.4","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-dinitrophenol 4-dimethylaminopyridine-N-oxide","","- C13 H14 N4 O6 -","- C13 H14 N4 O6 -","- C52 H56 N16 O24 -","4","1","","Sigala, Paul A.; Ruben, Eliza A.; Liu, Corey W.; Piccoli, Paula M. B.; Hohenstein, Edward G.; Martínez, Todd J; Schultz, Arthur J.; Herschlag, Daniel","Determination of Hydrogen Bond Structure in Water versus Aprotic Environments To Test the Relationship Between Length and Stability.","Journal of the American Chemical Society","2015","137","17","5730","5740","10.1021/ja512980h","","","0.71073","MoKα","","0.0365","0.0288","","","0.0672","0.0708","","","","","","1.007","","","","has coordinates","138257","2020-10-21","18:00:00",""
"4123624","7.4528","0.0004","14.995","0.003","14.995","0.003","90","","90","","90","","1675.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C76 H96 N8 O16 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0654","0.0457","","","0.0824","0.0913","","","","","","1.107","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123632","8.05042","0.00013","14.5426","0.0002","15.2311","0.0003","90","","90","","90","","1783.17","0.05","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","1.54178","CuKα","","0.0305","0.0304","","","0.079","0.0794","","","","","","1.068","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123634","7.5454","0.0006","14.63","0.0015","16.0308","0.0013","90","","90","","90","","1769.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Xu, Zhengren; Wang, Qian; Zhu, Jieping","Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.","Journal of the American Chemical Society","2015","137","20","6712","6724","10.1021/jacs.5b03619","","","0.71073","MoKα","","0.0547","0.0474","","","0.1076","0.1119","","","","","","1.092","","","","has coordinates","138223","2020-10-21","18:00:00",""
"4123639","16.5265","0.0005","17.3446","0.0005","28.1866","0.0009","90","","90","","90","","8079.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H61 N4 O7.5 -","- C38 H61 N4 O7.5 -","- C304 H488 N32 O60 -","8","2","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","","1.54178","CuKα","","0.054","0.0405","","","0.0917","0.1","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4123640","12.0179","0.0019","17.559","0.004","26.124","0.004","90","","90","","90","","5512.7","1.7","100","","100.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52.22 H88.54 Cl0.89 N5 O8 -","- C52.2156 H88.539 Cl0.8922 N5 O8 -","- C208.862 H354.156 Cl3.5688 N20 O32 -","4","1","","Fisher, Brian F.; Guo, Li; Dolinar, Brian S.; Guzei, Ilia A.; Gellman, Samuel H.","Heterogeneous h-bonding in a foldamer helix.","Journal of the American Chemical Society","2015","137","20","6484","6487","10.1021/jacs.5b03382","","x-ray","1.54178","CuKα","K-L~3~","0.0317","0.0315","","","0.0807","0.0809","","","","","","1.097","","","","has coordinates,has disorder","138220","2020-10-21","18:00:00",""
"4123648","12.2344","0.0014","15.055","0.0019","32.394","0.003","90","","90","","90","","5966.6","1.2","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H98 Li4 N9 O7 P3 -","- C42 H98 Li4 N9 O7 P3 -","- C168 H392 Li16 N36 O28 P12 -","4","1","","Guang, Jie; Liu, Qiyong Peter; Hopson, Russell; Williard, Paul G.","Lithium Pinacolone Enolate Solvated by Hexamethylphosphoramide.","Journal of the American Chemical Society","2015","137","23","7347","7356","10.1021/jacs.5b01906","","","0.71073","","","0.1025","0.0952","","","0.2489","0.2591","","","","","","2.208","","","","has coordinates","140130","2020-10-21","18:00:00",""
"4123669","8.294","0.0004","9.0364","0.0004","12.17","0.0006","90","","90","","90","","912.12","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","AM-I-116A","sarpong78","","- C10 H16 O3 -","- C10 H16 O3 -","- C40 H64 O12 -","4","1","","Masarwa, Ahmad; Weber, Manuel; Sarpong, Richmond","Selective C-C and C-h bond activation/cleavage of pinene derivatives: synthesis of enantiopure cyclohexenone scaffolds and mechanistic insights.","Journal of the American Chemical Society","2015","137","19","6327","6334","10.1021/jacs.5b02254","","","1.54178","CuKα","","0.0278","0.0277","","","0.0723","0.0724","","","","","","1.091","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123708","9.0598","0.0012","14.023","0.002","16.598","0.003","90","","90","","90","","2108.7","0.6","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Br3 N O2 -","- C19 H24 Br3 N O2 -","- C76 H96 Br12 N4 O8 -","4","1","","Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Bifunctional organocatalysts for the enantioselective synthesis of axially chiral isoquinoline N-oxides.","Journal of the American Chemical Society","2015","137","21","6766","6769","10.1021/jacs.5b04151","","","0.71075","MoKα","","","0.0415","","","","0.1129","","","","","","0.649","","","","has coordinates","138231","2020-10-21","18:00:00",""
"4123709","7.46","0.001","9.0181","0.0012","22.359","0.003","90","","90","","90","","1504.2","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H8 Br3 N O2 -","- C15 H8 Br3 N O2 -","- C60 H32 Br12 N4 O8 -","4","1","","Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Bifunctional organocatalysts for the enantioselective synthesis of axially chiral isoquinoline N-oxides.","Journal of the American Chemical Society","2015","137","21","6766","6769","10.1021/jacs.5b04151","","","0.71075","MoKα","","","0.036","","","","0.0802","","","","","","1.077","","","","has coordinates","138231","2020-10-21","18:00:00",""
"4123756","11.5108","0.0005","14.3754","0.0006","43.5215","0.0018","90","","90","","90","","7201.6","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H80 Li3 O11 Pr -","- C84 H80 Li3 O11 Pr -","- C336 H320 Li12 O44 Pr4 -","4","1","","Robinson, Jerome R.; Gu, Jun; Carroll, Patrick J.; Schelter, Eric J.; Walsh, Patrick J.","Exchange Processes in Shibasaki's Rare Earth Alkali Metal BINOLate Frameworks and Their Relevance in Multifunctional Asymmetric Catalysis.","Journal of the American Chemical Society","2015","137","22","7135","7144","10.1021/jacs.5b02201","","","0.71073","MoKα","","0.0384","0.0351","","","0.0734","0.0745","","","","","","1.141","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4123763","7.4336","0.0003","8.2693","0.0003","18.5884","0.0007","90","","90","","90","","1142.64","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 I O3 -","- C11 H11 I O3 -","- C44 H44 I4 O12 -","4","1","","Vara, Brandon A.; Struble, Thomas J.; Wang, Weiwei; Dobish, Mark C.; Johnston, Jeffrey N.","Enantioselective Small Molecule Synthesis by Carbon Dioxide Fixation using a Dual Brønsted Acid/Base Organocatalyst.","Journal of the American Chemical Society","2015","137","23","7302","7305","10.1021/jacs.5b04425","","","0.71073","MoKα","","0.0152","0.0148","","","0.0376","0.0378","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123805","13.6501","0.0004","19.5046","0.0007","20.8033","0.0006","90","","90","","90","","5538.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C55 H76 Fe2 O2 P4 S Si2 -","- C55 H76 Fe2 O2 P4 S Si2 -","- C220 H304 Fe8 O8 P16 S4 Si8 -","4","1","","Creutz, Sidney E.; Peters, Jonas C.","Diiron Bridged-Thiolate Complexes That Bind N2 at the Fe(II)Fe(II), Fe(II)Fe(I), and Fe(I)Fe(I) Redox States.","Journal of the American Chemical Society","2015","137","23","7310","7313","10.1021/jacs.5b04738","","","0.71073","MoKα","","0.1359","0.066","","","0.1183","0.1368","","","","","","1.012","","","","has coordinates,has disorder","141360","2020-10-21","18:00:00",""
"4123808","17.349","0.004","17.563","0.004","23.855","0.005","90","","90","","90","","7269","3","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H68 Fe2 N6 O9 -","- C62 H68 Fe2 N6 O9 -","- C248 H272 Fe8 N24 O36 -","4","1","","Wang, Yuefei; Qi, Wei; Huang, Renliang; Yang, Xuejiao; Wang, Mengfan; Su, Rongxin; He, Zhimin","Rational Design of Chiral Nanostructures from Self-Assembly of a Ferrocene-Modified Dipeptide.","Journal of the American Chemical Society","2015","137","24","7869","7880","10.1021/jacs.5b03925","","","0.71073","MoKα","","0.0816","0.0696","","","0.1796","0.1876","","","","","","1.043","","","","has coordinates,has disorder","140124","2020-10-21","18:00:00",""
"4123814","7.8983","0.0006","14.439","0.0008","16.3846","0.0009","90","","90","","90","","1868.6","0.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 B Br N2 -","- C21 H20 B Br N2 -","- C84 H80 B4 Br4 N8 -","4","1","","Wang, Xiao-Ye; Narita, Akimitsu; Feng, Xinliang; Müllen, Klaus","B2N2-Dibenzo[a,e]pentalenes: Effect of the BN Orientation Pattern on Antiaromaticity and Optoelectronic Properties.","Journal of the American Chemical Society","2015","137","24","7668","7671","10.1021/jacs.5b05056","","","1.54178","CuKα","","0.0433","0.0409","","","0.1057","0.1126","","","","","","1.118","","","","has coordinates","140120","2020-10-21","18:00:00",""
"4123818","6.737","0.003","12.384","0.005","14.328","0.006","90","","90","","90","","1195.4","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Zhu, Chendan; Liang, Yong; Hong, Xin; Sun, Heqing; Sun, Wei-Yin; Houk, K. N.; Shi, Zhuangzhi","Iodoarene-Catalyzed Stereospecific Intramolecular sp(3) C-H Amination: Reaction Development and Mechanistic Insights.","Journal of the American Chemical Society","2015","137","24","7564","7567","10.1021/jacs.5b03488","","","0.71073","MoKα","","0.0755","0.0627","","","0.1562","0.1649","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123819","8.209","0.0011","9.9163","0.0013","27.474","0.004","90","","90","","90","","2236.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DHM6-170C","toste126","","- C25 H28 N4 O2 -","- C25 H28 N4 O2 -","- C100 H112 N16 O8 -","4","1","","Miles, Dillon H.; Guasch, Joan; Toste, F. Dean","A Nucleophilic Strategy for Enantioselective Intermolecular α-Amination: Access to Enantioenriched α-Arylamino Ketones.","Journal of the American Chemical Society","2015","137","24","7632","7635","10.1021/jacs.5b04518","","","1.54178","CuKα","","0.0286","0.0284","","","0.0747","0.0749","","","","","","1.068","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4123820","13.5851","0.0013","26.924","0.003","27.669","0.003","90","","90","","90","","10120.4","1.8","90","","90","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C106 H131 Ag2 B F4 Fe2 N4 O21 S -","- C106 H131 Ag2 B F4 Fe2 N4 O21 S -","- C424 H524 Ag8 B4 F16 Fe8 N16 O84 S4 -","4","1","","Yamagishi, Hiroshi; Fukino, Takahiro; Hashizume, Daisuke; Mori, Tadashi; Inoue, Yoshihisa; Hikima, Takaaki; Takata, Masaki; Aida, Takuzo","Metal-Organic Nanotube with Helical and Propeller-Chiral Motifs Composed of a C10-Symmetric Double-Decker Nanoring.","Journal of the American Chemical Society","2015","137","24","7628","7631","10.1021/jacs.5b04386","","","0.71073","MoKα","","0.1854","0.0877","","","0.222","0.2821","","","","","","1.005","","","","has coordinates,has disorder","140128","2020-10-21","18:00:00",""
"4123830","12.3797","0.0009","15.7949","0.001","34.928","0.003","90","","90","","90","","6829.7","0.9","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","mu_09_128","mu_09_128","","- C67 H91 Cl2 Cu2 F3 N4 O3 S -","- C67 H91 Cl2 Cu2 F3 N4 O3 S -","- C268 H364 Cl8 Cu8 F12 N16 O12 S4 -","4","1","","Suess, Alison M.; Uehling, Mycah R.; Kaminsky, Werner; Lalic, Gojko","Mechanism of Copper-Catalyzed Hydroalkylation of Alkynes: An Unexpected Role of Dinuclear Copper Complexes.","Journal of the American Chemical Society","2015","137","24","7747","7753","10.1021/jacs.5b03086","","","0.71073","MoKα","","0.0572","0.0461","","","0.1099","0.1164","","","","","","1.029","","","","has coordinates,has disorder","140121","2020-10-21","18:00:00",""
"4123840","5.9718","0.0004","23.3972","0.0015","31.439","0.002","90","","90","","90","","4392.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O2 S -","- C25 H28 N2 O2 S -","- C200 H224 N16 O16 S8 -","8","2","","Mei, Liang-Yong; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Catalyst-Dependent Stereodivergent and Regioselective Synthesis of Indole-Fused Heterocycles through Formal Cycloadditions of Indolyl-Allenes.","Journal of the American Chemical Society","2015","137","25","8131","8137","10.1021/jacs.5b02080","","","0.71073","MoKα","","0.061","0.054","","","0.1327","0.1375","","","","","","1.056","","","","has coordinates","140116","2020-10-21","18:00:00",""
"4123853","13.543","0.003","15.836","0.003","21.53","0.004","90","","90","","90","","4617.5","1.6","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H37 F6 Mn N5 O6 S2 -","- C48 H37 F6 Mn N5 O6 S2 -","- C192 H148 F24 Mn4 N20 O24 S8 -","4","1","","Nakatsuka, Hiroshi; Yamamura, Tomoya; Shuto, Yoshihiro; Tanaka, Shinji; Yoshimura, Masahiro; Kitamura, Masato","Mechanism of Asymmetric Hydrogenation of Aromatic Ketones Catalyzed by a Combined System of Ru(π-CH2C(CH3)CH2)2(cod) and the Chiral sp(2)N/sp(3)NH Hybrid Linear N4 Ligand Ph-BINAN-H-Py.","Journal of the American Chemical Society","2015","137","25","8138","8149","10.1021/jacs.5b02350","","","0.7107","MoKα","","","0.033","","","","0.03","","","","","","3.618","","","","has coordinates","140118","2020-10-21","18:00:00",""
"4123856","9.6882","0.0003","13.0841","0.0003","21.5222","0.0003","90","","90","","90","","2728.18","0.11","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl2 Co F3 N5 P2 -","- C22 H34 Cl2 Co F3 N5 P2 -","- C88 H136 Cl8 Co4 F12 N20 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71073","MoKα","","0.0451","0.036","","","0.0694","0.0714","","","","","","0.981","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123857","10.2011","0.0004","12.1886","0.0004","20.9518","0.0008","90","","90","","90","","2605.09","0.17","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 Cl2 Co N5 P2 -","- C21 H35 Cl2 Co N5 P2 -","- C84 H140 Cl8 Co4 N20 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71069","MoKα","","0.062","0.0524","","","0.1086","0.1117","","","","","","0.988","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123858","9.3814","0.0002","13.5379","0.0003","21.3231","0.0006","90","","90","","90","","2708.13","0.11","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41 Cl2 Co N5 O P2 -","- C20 H41 Cl2 Co N5 O P2 -","- C80 H164 Cl8 Co4 N20 O4 P8 -","4","1","","Rösler, Sina; Obenauf, Johannes; Kempe, Rhett","A Highly Active and Easily Accessible Cobalt Catalyst for Selective Hydrogenation of C═O Bonds.","Journal of the American Chemical Society","2015","137","25","7998","8001","10.1021/jacs.5b04349","","","0.71073","MoKα","","0.0715","0.0501","","","0.1133","0.1211","","","","","","0.958","","","","has coordinates","141355","2020-10-21","18:00:00",""
"4123862","8.837","0.003","9.595","0.003","16.405","0.006","90","","90","","90","","1391","0.8","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4aS*,7R*,8aS*)-ethyl 4a-hydroxy-7-methoxycarboxy-4a,7,8,8a-tetrahydro- 4H-benzo[e][1,2]oxazine-3-carboxylate","","- C13 H17 N O7 -","- C13 H17 N O7 -","- C52 H68 N4 O28 -","4","1","","Mfuh, Adelphe M.; Zhang, Yu; Stephens, David E.; Vo, Anh X. T.; Arman, Hadi D.; Larionov, Oleg V.","Concise Total Synthesis of Trichodermamides A, B, and C Enabled by an Efficient Construction of the 1,2-Oxazadecaline Core.","Journal of the American Chemical Society","2015","137","25","8050","8053","10.1021/jacs.5b05205","","","0.71073","MoKα","","0.0704","0.0671","","","0.1287","0.1314","","","","","","1.003","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123865","7.1816","0.0011","11.0851","0.0015","21.848","0.003","90","","90","","90","","1739.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br2 N3 O2 -","- C19 H15 Br2 N3 O2 -","- C76 H60 Br8 N12 O8 -","4","1","","Zhu, Rong; Buchwald, Stephen L.","Versatile Enantioselective Synthesis of Functionalized Lactones via Copper-Catalyzed Radical Oxyfunctionalization of Alkenes.","Journal of the American Chemical Society","2015","137","25","8069","8077","10.1021/jacs.5b04821","","","0.71073","MoKα","","0.0428","0.0326","","","0.0653","0.0683","","","","","","1.028","","","","has coordinates","140115","2020-10-21","18:00:00",""
"4123870","12.6183","0.0006","11.014","0.0005","10.1521","0.0004","90","","90","","90","","1410.92","0.11","294.53","0.1","294.53","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cl O2 -","- C16 H17 Cl O2 -","- C64 H68 Cl4 O8 -","4","1","","Yang, Bin-Miao; Cai, Pei-Jun; Tu, Yong-Qiang; Yu, Zhi-Xiang; Chen, Zhi-Min; Wang, Shuang-Hu; Wang, Shao-Hua; Zhang, Fu-Min","Organocatalytic Asymmetric Tandem Nazarov Cyclization/Semipinacol Rearrangement: Rapid Construction of Chiral Spiro[4.4]nonane-1,6-diones.","Journal of the American Chemical Society","2015","137","26","8344","8347","10.1021/jacs.5b04049","","","1.54184","CuKα","","0.0427","0.0405","","","0.107","0.1095","","","","","","1.044","","","","has coordinates,has disorder","152839","2020-10-21","18:00:00",""
"4123889","9.0118","0.0003","9.0638","0.0003","26.0781","0.0008","90","","90","","90","","2130.09","0.12","","","","","","","","","","","dichlormethane","7","P 21 21 21","P 2ac 2ab","19","","Title","","- C16 H25 F6 N2 O2 S Sb -","- C16 H25 F6 N2 O2 S Sb -","- C64 H100 F24 N8 O8 S4 Sb4 -","4","1","","Talavera, Garazi; Peña, Javier; Alcarazo, Manuel","Dihalo(imidazolium)sulfuranes: A Versatile Platform for the Synthesis of New Electrophilic Group-Transfer Reagents.","Journal of the American Chemical Society","2015","137","27","8704","8707","10.1021/jacs.5b05287","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123893","7.0153","0.0003","11.933","0.0005","17.6064","0.0008","90","","90","","90","","1473.89","0.11","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Dao, Hai T.; Li, Chao; Michaudel, Quentin; Maxwell, Brad D.; Baran, Phil S.","Hydromethylation of Unactivated Olefins.","Journal of the American Chemical Society","2015","137","25","8046","8049","10.1021/jacs.5b05144","","x-ray","1.54178","CuKα","","0.0282","0.0281","","","0.0735","0.0736","","","","","","1.081","","","","has coordinates","140009","2020-10-21","18:00:00",""
"4123895","9.9867","0.0004","15.5125","0.0005","20.0463","0.0007","90","","90","","90","","3105.55","0.19","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Cl3 N4 O3 Pd -","- C31 H27 Cl3 N4 O3 Pd -","- C124 H108 Cl12 N16 O12 Pd4 -","4","1","","Zhang, Qi; Yin, Xue-Song; Chen, Kai; Zhang, Shuo-Qing; Shi, Bing-Feng","Stereoselective Synthesis of Chiral β-Fluoro α-Amino Acids via Pd(II)-Catalyzed Fluorination of Unactivated Methylene C(sp(3))-H Bonds: Scope and Mechanistic Studies.","Journal of the American Chemical Society","2015","137","25","8219","8226","10.1021/jacs.5b03989","","","0.71073","MoKα","","0.0274","0.0234","","","0.0509","0.0527","","","","","","1.038","","","","has coordinates","140011","2020-10-21","18:00:00",""
"4123898","10.0251","0.0002","11.4891","0.0002","34.7369","0.0002","90","","90","","90","","4000.97","0.11","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br F3 N O -","- C21 H21 Br F3 N O -","- C168 H168 Br8 F24 N8 O8 -","8","2","","Cahard, Elise; Male, Henry P. J.; Tissot, Matthieu; Gaunt, Matthew J.","Enantioselective and Regiodivergent Copper-Catalyzed Electrophilic Arylation of Allylic Amides with Diaryliodonium Salts.","Journal of the American Chemical Society","2015","137","25","7986","7989","10.1021/jacs.5b03937","","","0.71073","MoKα","","0.071","0.0524","","","0.1356","0.1461","","","","","","1.021","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123924","9.286","0.004","10.034","0.005","18.234","0.01","90","","90","","90","","1699","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Xu, Bin; Li, Mao-Lin; Zuo, Xiao-Dong; Zhu, Shou-Fei; Zhou, Qi-Lin","Catalytic Asymmetric Arylation of α-Aryl-α-diazoacetates with Aniline Derivatives.","Journal of the American Chemical Society","2015","137","27","8700","8703","10.1021/jacs.5b05086","","","1.54178","CuKα","","0.0384","0.0377","","","0.0923","0.0931","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4123994","7.06","","12.02","","5.58","","90","","90","","90","","473.525","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","K S O3 N H O H","","- H2 K N O4 S -","- K N O4 S -","- K4 N4 O16 S4 -","4","1","","Belt, R.F.; Baenziger, N.C.","The Crystal Structure of Potassium Hydroxylamine-N-sulfonate","Journal of the American Chemical Society","1957","79","","316","318","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124150","8.6834","0.0004","16.2787","0.0007","21.3864","0.0009","90","","90","","90","","3023.1","0.2","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 N O5 -","- C35 H39 N O5 -","- C140 H156 N4 O20 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0375","0.0373","","","0.0922","0.0923","","","","","","1.138","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124151","11.3063","0.0004","17.1064","0.0006","17.5636","0.0006","90","","90","","90","","3397","0.2","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 N3 O3 -","- C36 H49 N3 O3 -","- C144 H196 N12 O12 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0379","0.036","","","0.0904","0.0922","","","","","","1.057","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124152","10.3317","0.0003","11.0488","0.0003","31.0607","0.0008","90","","90","","90","","3545.67","0.17","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H51 N3 O4 -","- C37 H51 N3 O4 -","- C148 H204 N12 O16 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.052","0.0448","","","0.1068","0.1111","","","","","","1.039","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124153","9.3732","0.0006","10.9685","0.0008","30.31","0.002","90","","90","","90","","3116.2","0.4","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 N O7 -","- C35 H41 N O7 -","- C140 H164 N4 O28 -","4","1","","Kalek, Marcin; Fu, Gregory C.","Phosphine-Catalyzed Doubly Stereoconvergent γ-Additions of Racemic Heterocycles to Racemic Allenoates: The Catalytic Enantioselective Synthesis of Protected α,α-Disubstituted α-Amino Acid Derivatives.","Journal of the American Chemical Society","2015","137","29","9438","9442","10.1021/jacs.5b05528","","","1.54178","CuKα","","0.0892","0.0716","","","0.149","0.1578","","","","","","1.145","","","","has coordinates","154642","2020-10-21","18:00:00",""
"4124197","8.5247","0.0003","9.749","0.0004","20.5673","0.0007","90","","90","","90","","1709.29","0.11","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3hnb","","","- C18 H13 Cl3 N2 O -","- C18 H13 Cl3 N2 O -","- C72 H52 Cl12 N8 O4 -","4","1","","Huo, Haohua; Wang, Chuanyong; Harms, Klaus; Meggers, Eric","Enantioselective, Catalytic Trichloromethylation through Visible-Light-Activated Photoredox Catalysis with a Chiral Iridium Complex.","Journal of the American Chemical Society","2015","137","30","9551","9554","10.1021/jacs.5b06010","","","0.71073","MoKα","","0.0248","0.0233","","","0.0577","0.0583","","","","","","1.068","","","","has coordinates","154624","2020-10-21","18:00:00",""
"4124232","8.6152","0.0006","9.5235","0.0005","32.448","0.002","90","","90","","90","","2662.3","0.3","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O5 S -","- C28 H26 N2 O5 S -","- C112 H104 N8 O20 S4 -","4","1","","Zheng, Peng-Fei; Ouyang, Qin; Niu, Sheng-Li; Shuai, Li; Yuan, Yi; Jiang, Kun; Liu, Tian-Yu; Chen, Ying-Chun","Enantioselective [4 + 1] Annulation Reactions of α-Substituted Ammonium Ylides To Construct Spirocyclic Oxindoles.","Journal of the American Chemical Society","2015","137","29","9390","9399","10.1021/jacs.5b04792","","","0.71073","MoKα","","0.1008","0.0665","","","0.1592","0.1806","","","","","","1.035","","","","has coordinates","152748","2020-10-21","18:00:00",""
"4124235","9.9223","0.0008","14.5222","0.0011","19.3498","0.0015","90","","90","","90","","2788.2","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H47 Cl N Rh -","- C31 H47 Cl N Rh -","- C124 H188 Cl4 N4 Rh4 -","4","1","","Wei, Yu; Rao, Bin; Cong, Xuefeng; Zeng, Xiaoming","Highly Selective Hydrogenation of Aromatic Ketones and Phenols Enabled by Cyclic (Amino)(alkyl)carbene Rhodium Complexes.","Journal of the American Chemical Society","2015","137","29","9250","9253","10.1021/jacs.5b05868","","","0.71073","MoKα","","0.0185","0.0177","","","0.0452","0.0454","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124244","8.4158","0.0014","15.141","0.002","21.41","0.003","90","","90","","90","","2728.1","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Br N2 O2 S -","- C31 H29 Br N2 O2 S -","- C124 H116 Br4 N8 O8 S4 -","4","1","","Chai, Zhuo; Zhu, You-Min; Yang, Pei-Jun; Wang, Shaoyin; Wang, Shaowu; Liu, Zhen; Yang, Gaosheng","Copper(I)-Catalyzed Kinetic Resolution of N-Sulfonylaziridines with Indoles: Efficient Construction of Pyrroloindolines.","Journal of the American Chemical Society","2015","137","32","10088","10091","10.1021/jacs.5b05820","","","0.71073","MoKα","","0.0815","0.0461","","","0.1223","0.1375","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124245","17.7797","0.0004","22.7717","0.0004","31.2128","0.0007","90","","90","","90","","12637.3","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C124.63 H129.15 F9 Lu N9 O22.63 S3 -","- C124.635 H129.175 F9 Lu N9 O22.635 S3 -","- C498.54 H516.7 F36 Lu4 N36 O90.54 S12 -","4","1","","Zhang, Gen; Gil-Ramírez, Guzmán; Markevicius, Augustinas; Browne, Colm; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Lanthanide Template Synthesis of Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2015","137","32","10437","10442","10.1021/jacs.5b07069","","x-ray","1.54184","CuKα","","0.0864","0.0704","","","0.1965","0.2147","","","","","","1.039","","","","has coordinates,has disorder","154661","2020-10-21","18:00:00",""
"4124246","17.4187","0.0002","23.0655","0.0003","31.3641","0.0004","90","","90","","90","","12601.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C124 H127.02 Eu F9 N9 O22 S3 -","- C124 H127 Eu F9 N9 O22 S3 -","- C496 H508 Eu4 F36 N36 O88 S12 -","4","1","","Zhang, Gen; Gil-Ramírez, Guzmán; Markevicius, Augustinas; Browne, Colm; Vitorica-Yrezabal, Iñigo J; Leigh, David A.","Lanthanide Template Synthesis of Trefoil Knots of Single Handedness.","Journal of the American Chemical Society","2015","137","32","10437","10442","10.1021/jacs.5b07069","","x-ray","0.6889","","","0.0831","0.0755","","","0.2129","0.2214","","","","","","1.076","","","","has coordinates,has disorder","154661","2020-10-21","18:00:00",""
"4124279","7.8946","0.0006","12.0793","0.0009","14.7171","0.0011","90","","90","","90","","1403.44","0.18","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","NTK-IV-86-I","","","- C18 H14 N2 -","- C18 H14 N2 -","- C72 H56 N8 -","4","1","","Kadunce, Nathaniel T.; Reisman, Sarah E.","Nickel-Catalyzed Asymmetric Reductive Cross-Coupling between Heteroaryl Iodides and α-Chloronitriles.","Journal of the American Chemical Society","2015","","","150813153136005","","10.1021/jacs.5b06466","","","1.54178","CuKα","","0.0277","0.0273","","","0.0712","0.0717","","","","","","1.059","","","","has coordinates","153467","2020-10-21","18:00:00",""
"4124293","6.5106","0.0009","16.465","0.003","17.701","0.003","90","","90","","90","","1897.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O2 -","- C21 H31 N O2 -","- C84 H124 N4 O8 -","4","1","","Larson, Reed T.; Pemberton, Ryan P.; Franke, Jenna M.; Tantillo, Dean J.; Thomson, Regan J.","Total Synthesis of the Galbulimima Alkaloids Himandravine and GB17 Using Biomimetic Diels-Alder Reactions of Double Diene Precursors.","Journal of the American Chemical Society","2015","137","34","11197","11204","10.1021/jacs.5b07710","","","1.54178","CuKα","","0.04","0.0351","","","0.0825","0.0857","","","","","","1.024","","","","has coordinates","154649","2020-10-21","18:00:00",""
"4124311","9.7854","0.0002","15.4462","0.0003","22.2111","0.0004","90","","90","","90","","3357.15","0.11","113","2","113","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","Laine_Dyad_2014","[Py(ph)2-TP+](BF4)","","- C41 H31 B Cl2 F4 N2 -","- C41 H31 B Cl2 F4 N2 -","- C164 H124 B4 Cl8 F16 N8 -","4","1","","Lachmanová, Štěpánka; Dupeyre, Grégory; Tarábek, Ján; Ochsenbein, Philippe; Perruchot, Christian; Ciofini, Ilaria; Hromadová, Magdaléna; Pospíšil, Lubomír; Lainé, Philippe P","Kinetics of Multielectron Transfers and Redox-Induced Structural Changes in N-Aryl-Expanded Pyridiniums: Establishing Their Unusual, Versatile Electrophoric Activity.","Journal of the American Chemical Society","2015","137","35","11349","11364","10.1021/jacs.5b05545","","","1.54178","CuKα","","0.0556","0.0551","","","0.1854","0.1862","","","","","","2.1","","","","has coordinates","160531","2020-10-21","18:00:00",""
"4124325","5.66013","0.0001","13.3182","0.0002","23.7538","0.0004","90","","90","","90","","1790.63","0.05","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F2 O -","- C23 H20 F2 O -","- C92 H80 F8 O4 -","4","1","","Liang, Yufan; Fu, Gregory C.","Stereoconvergent Negishi Arylations of Racemic Secondary Alkyl Electrophiles: Differentiating between a CF3 and an Alkyl Group.","Journal of the American Chemical Society","2015","137","30","9523","9526","10.1021/jacs.5b04725","","","1.54178","CuKα","","0.029","0.028","","","0.0726","0.0734","","","","","","1.061","","","","has coordinates","154227","2020-10-21","18:00:00",""
"4124336","10.0449","0.0007","14.7417","0.001","22.01","0.0015","90","","90","","90","","3259.2","0.4","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H43 N O5 S Si -","- C35 H43 N O5 S Si -","- C140 H172 N4 O20 S4 Si4 -","4","1","","Arichi, Norihito; Yamada, Ken-Ichi; Yamaoka, Yousuke; Takasu, Kiyosei","An Arylative Ring Expansion Cascade of Fused Cyclobutenes via Short-Lived Intermediates with Planar Chirality.","Journal of the American Chemical Society","2015","137","30","9579","9582","10.1021/jacs.5b06576","","","1.54187","CuKα","","0.0307","0.0285","","","0.0706","0.0712","","","","","","1.054","","","","has coordinates","154238","2020-10-21","18:00:00",""
"4124364","11.3098","0.0005","18.6329","0.0007","19.8541","0.001","90","","90","","90","","4183.9","0.3","150","0.02","150","0.02","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H62 N3 O4 U -","- C45 H62 N3 O4 U -","- C180 H248 N12 O16 U4 -","4","1","","Kiernicki, John J.; Cladis, Dennis P.; Fanwick, Phillip E.; Zeller, Matthias; Bart, Suzanne C.","Synthesis, Characterization, and Stoichiometric U-O Bond Scission in Uranyl Species Supported by Pyridine(diimine) Ligand Radicals.","Journal of the American Chemical Society","2015","137","34","11115","11125","10.1021/jacs.5b06217","","","0.71073","MO-Kα","","0.097","0.062","","","0.108","0.125","","","","","","1.096","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4124402","6.2685","0.0002","13.9005","0.0005","18.6052","0.0005","90","","90","","90","","1621.17","0.09","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O4 -","- C17 H18 Cl N O4 -","- C68 H72 Cl4 N4 O16 -","4","1","","Wang, Chao; Zong, Lili; Tan, Choon-Hong","Enantioselective Oxidation of Alkenes with Potassium Permanganate Catalyzed by Chiral Dicationic Bisguanidinium.","Journal of the American Chemical Society","2015","","","150813122746001","","10.1021/jacs.5b05792","","","0.71073","MoKα","","0.0472","0.0376","","","0.0802","0.0846","","","","","","1.028","","","","has coordinates","154281","2020-10-21","18:00:00",""
"4124404","7.4509","0.0004","13.8684","0.0007","18.1247","0.0009","90","","90","","90","","1872.86","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Wang, Yi-Ming; Bruno, Nicholas C.; Placeres, Ángel L; Zhu, Shaolin; Buchwald, Stephen L.","Enantioselective Synthesis of Carbo- and Heterocycles through a CuH-Catalyzed Hydroalkylation Approach.","Journal of the American Chemical Society","2015","137","33","10524","10527","10.1021/jacs.5b07061","","","0.71073","MoKα","","0.0291","0.0274","","","0.0779","0.0792","","","","","","1.093","","","","has coordinates","154282","2020-10-21","18:00:00",""
"4124408","7.62518","0.00009","19.0411","0.0002","32.4846","0.0004","90","","90","","90","","4716.5","0.09","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O2 -","- C28 H38 O2 -","- C224 H304 O16 -","8","2","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0399","0.0369","","","0.0979","0.1014","","","","","","1.019","","","","has coordinates","154286","2020-10-21","18:00:00",""
"4124411","10.28986","0.00016","23.9607","0.0005","29.1587","0.0005","90","","90","","90","","7189.1","0.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N3 O -","- C28 H35 N3 O -","- C336 H420 N36 O12 -","12","3","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.54184","CuKα","","0.0529","0.0433","","","0.1113","0.1169","","","","","","1.034","","","","has coordinates","154286","2020-10-21","18:00:00",""
"4124413","10.0918","0.00016","11.48593","0.00015","25.4903","0.0004","90","","90","","90","","2954.68","0.08","180.05","0.1","180.05","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 N O6 -","- C35 H41 N O6 -","- C140 H164 N4 O24 -","4","1","","Li, Houhua; Mazet, Clément","Catalyst-Directed Diastereoselective Isomerization of Allylic Alcohols for the Stereoselective Construction of C(20) in Steroid Side Chains: Scope and Topological Diversification.","Journal of the American Chemical Society","2015","","","150811163019004","","10.1021/jacs.5b06281","","","1.5418","CuKα","","0.0322","0.0303","","","0.0796","0.0816","","","","","","1.04","","","","has coordinates","154286","2020-10-21","18:00:00",""
"4124476","8.927","0.0014","17.389","0.002","28.757","0.004","90","","90","","90","","4464","1.1","100","","100","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C63 H48 -","- C63 H48 -","- C252 H192 -","4","1","","Chen, Qishui; Trinh, M. Tuan; Paley, Daniel W.; Preefer, Molleigh B.; Zhu, Haiming; Fowler, Brandon S.; Zhu, X.-Y.; Steigerwald, Michael L.; Nuckolls, Colin","Strain-Induced Stereoselective Formation of Blue-Emitting Cyclostilbenes.","Journal of the American Chemical Society","2015","137","38","12282","12288","10.1021/jacs.5b06258","","x-ray","1.54184","CuKα","","0.1532","0.1265","","","0.2675","0.2849","","","","","","1.04","","","","has coordinates,has disorder","160526","2020-10-21","18:00:00",""
"4124564","19.1282","0.0004","19.9934","0.0004","40.5716","0.0007","90","","90","","90","","15516.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C78.45 H79.8 O30.45 -","- C78.45 H54 O30.45 -","- C627.6 H432 O243.6 -","8","2","","Chen, Shigui; Yamasaki, Makoto; Polen, Shane; Gallucci, Judith; Hadad, Christopher M.; Badjić, Jovica D","Dual-Cavity Basket Promotes Encapsulation in Water in an Allosteric Fashion.","Journal of the American Chemical Society","2015","137","38","12276","12281","10.1021/jacs.5b06041","","x-ray","0.71073","MoKα","","0.207","0.1296","","","0.3167","0.3682","","","","","","1.242","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4124594","7.493","0.0012","12.872","0.002","17.207","0.003","90","","90","","90","","1659.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Gao, Pan; Guo, Wei; Xue, Jingjing; Zhao, Yue; Yuan, Yu; Xia, Yuanzhi; Shi, Zhuangzhi","Iridium(III)-Catalyzed Direct Arylation of C-H Bonds with Diaryliodonium Salts.","Journal of the American Chemical Society","2015","137","38","12231","12240","10.1021/jacs.5b06758","","","0.71073","MoKα","","0.0435","0.0367","","","0.0913","0.0962","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124616","9.5487","0.0001","11.6601","0.0002","14.4501","0.0003","90","","90","","90","","1608.86","0.05","150","","150","","","","","","","","synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C84 H64 N8 -","4","1","","Sharma, Krishna; Wolstenhulme, Jamie R.; Painter, Phillip P.; Yeo, David; Grande-Carmona, Francisca; Johnston, Craig P.; Tantillo, Dean J.; Smith, Martin D.","Cation-Controlled Enantioselective and Diastereoselective Synthesis of Indolines: An Autoinductive Phase-Transfer Initiated 5-endo-trig Process.","Journal of the American Chemical Society","2015","137","41","13414","13424","10.1021/jacs.5b08834","","","0.71073","MoKα","","0.0428","0.0342","","0.0784","0.069","0.0784","","","","","","1.0452","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124676","5.536","","5.869","","7.731","","90","","90","","90","","251.186","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- H I O3 -","- I O3 -","- I4 O12 -","4","1","","Rogers, M.T.; Helmholz, L.","The crystal structure of iodic acid","Journal of the American Chemical Society","1941","63","","278","284","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124690","6.163","","8.115","","5.234","","90","","90","","90","","261.767","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Xe O3","","- O3 Xe -","- O3 Xe -","- O12 Xe4 -","4","1","","Templeton, D.H.; Zalkin, A.; Forrester, J.D.; Williamson, S.W.","Crystal and Molecular Structure of Xenon Trioxide","Journal of the American Chemical Society","1963","85","","817","817","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124721","7.2496","0.0001","10.8528","0.0002","23.5068","0.0004","90","","90","","90","","1849.48","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","","See, Yi Yang; Herrmann, Aaron T.; Aihara, Yoshinori; Baran, Phil S.","Scalable C-H Oxidation with Copper: Synthesis of Polyoxypregnanes.","Journal of the American Chemical Society","2015","137","43","13776","13779","10.1021/jacs.5b09463","","x-ray","1.54178","CuKα","","0.0306","0.0304","","","0.0814","0.0818","","","","","","1.039","","","","has coordinates","170074","2020-10-21","18:00:00",""
"4124726","5.5752","0.0004","15.0262","0.001","21.0896","0.0013","90","","90","","90","","1766.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-3,10-dichloro-6-cyclohexyl-6H-benzo[5,6][1,3]oxazino[3,4-a]indole","","- C21 H19 Cl2 N O -","- C21 H19 Cl2 N O -","- C84 H76 Cl8 N4 O4 -","4","1","","Li, Hongming; Belyk, Kevin M.; Yin, Jingjun; Chen, Qinghao; Hyde, Alan; Ji, Yining; Oliver, Steven; Tudge, Matthew T.; Campeau, Louis-Charles; Campos, Kevin R.","Enantioselective Synthesis of Hemiaminals via Pd-Catalyzed C-N Coupling with Chiral Bisphosphine Mono-oxides.","Journal of the American Chemical Society","2015","137","43","13728","13731","10.1021/jacs.5b05934","","","1.54178","CuKα","","0.0206","0.0205","","","0.0533","0.0534","","","","","","1.066","","","","has coordinates","170072","2020-10-21","18:00:00",""
"4124730","8.7181","0.0007","12.4706","0.0009","15.3735","0.0013","90","","90","","90","","1671.4","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O5 -","- C17 H26 O5 -","- C68 H104 O20 -","4","1","","Cheng, Bichu; Trauner, Dirk","A Highly Convergent and Biomimetic Total Synthesis of Portentol.","Journal of the American Chemical Society","2015","137","43","13800","13803","10.1021/jacs.5b10009","","","0.71073","MoKα","","0.0418","0.0341","","","0.0789","0.0815","","","","","","1.074","","","","has coordinates","170073","2020-10-21","18:00:00",""
"4124731","7.0783","0.0006","14.0477","0.0013","16.4886","0.0013","90","","90","","90","","1639.5","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Cheng, Bichu; Trauner, Dirk","A Highly Convergent and Biomimetic Total Synthesis of Portentol.","Journal of the American Chemical Society","2015","137","43","13800","13803","10.1021/jacs.5b10009","","","0.71073","MoKα","","0.0581","0.0423","","","0.0908","0.0976","","","","","","1.069","","","","has coordinates","170073","2020-10-21","18:00:00",""
"4124732","7.897","0.0003","12.6031","0.0005","16.0496","0.0007","90","","90","","90","","1597.36","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O5 -","- C17 H24 O5 -","- C68 H96 O20 -","4","1","","Cheng, Bichu; Trauner, Dirk","A Highly Convergent and Biomimetic Total Synthesis of Portentol.","Journal of the American Chemical Society","2015","137","43","13800","13803","10.1021/jacs.5b10009","","","0.71073","MoKα","","0.0373","0.0305","","","0.0701","0.0729","","","","","","1.069","","","","has coordinates","170073","2020-10-21","18:00:00",""
"4124742","12.2182","0.0004","14.558","0.0005","22.5759","0.0008","90","","90","","90","","4015.6","0.2","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","H2NiInL","","","- C39 H62 In N4 Ni P3 -","- C39 H62 In N4 Ni P3 -","- C156 H248 In4 N16 Ni4 P12 -","4","1","","Cammarota, Ryan C.; Lu, Connie C.","Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation.","Journal of the American Chemical Society","2015","137","39","12486","12489","10.1021/jacs.5b08313","","","1.54178","CuKα","","0.0192","0.0183","","","0.045","0.0454","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124755","6.4071","0.0001","14.3158","0.0002","15.2126","0.0002","90","","90","","90","","1395.34","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Yang, Ze-Peng; Wu, Qing-Feng; Shao, Wen; You, Shu-Li","Iridium-Catalyzed Intramolecular Asymmetric Allylic Dearomatization Reaction of Pyridines, Pyrazines, Quinolines, and Isoquinolines.","Journal of the American Chemical Society","2015","137","50","15899","15906","10.1021/jacs.5b10440","","","1.54178","CuKα","","0.0311","0.031","","","0.0825","0.0826","","","","","","1.068","","","","has coordinates","173581","2020-10-21","18:00:00",""
"4124838","6.3279","0.00013","10.2173","0.0002","31.5941","0.0006","90","","90","","90","","2042.69","0.07","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O6 -","- C21 H26 N2 O6 -","- C84 H104 N8 O24 -","4","1","","Hashimoto, Takuya; Gálvez, Alberto Osuna; Maruoka, Keiji","Boronic Acid-Catalyzed, Highly Enantioselective Aza-Michael Additions of Hydroxamic Acid to Quinone Imine Ketals.","Journal of the American Chemical Society","2015","137","51","16016","16019","10.1021/jacs.5b11518","","","1.54187","CuKα","","0.0543","0.0467","","","0.1234","0.132","","","","","","1.04","","","","has coordinates","173471","2020-10-21","18:00:00",""
"4124875","11.8799","0.001","12.0496","0.0012","14.8783","0.0013","90","","90","","90","","2129.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Br O2 -","- C26 H23 Br O2 -","- C104 H92 Br4 O8 -","4","1","","Qi, Chao; Xiong, Yuan; Eschenbrenner-Lux, Vincent; Cong, Huan; Porco, Jr, John A","Asymmetric Syntheses of the Flavonoid Diels-Alder Natural Products Sanggenons C and O.","Journal of the American Chemical Society","2016","138","3","798","801","10.1021/jacs.5b12778","","","1.54178","CuKα","","0.0272","0.0245","","","0.0552","0.0569","","","","","","1.082","","","","has coordinates","175785","2020-10-21","18:00:00",""
"4124900","5.171","0.0002","17.976","0.0006","24.5859","0.0009","90","","90","","90","","2285.36","0.14","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23.5 H27 F6 N O2 -","- C23.5 H27 F6 N O2 -","- C94 H108 F24 N4 O8 -","4","1","","Zuo, Zhiwei; Cong, Huan; Li, Wei; Choi, Junwon; Fu, Gregory C.; MacMillan, David W. C.","Enantioselective Decarboxylative Arylation of α-Amino Acids via the Merger of Photoredox and Nickel Catalysis.","Journal of the American Chemical Society","2016","138","6","1832","1835","10.1021/jacs.5b13211","","","1.54178","CuKα","","0.0528","0.046","","","0.1056","0.1094","","","","","","1.047","","","","has coordinates,has disorder","177402","2020-10-21","18:00:00",""
"4124945","10.458","0.002","10.973","0.002","23.741","0.005","90","","90","","90","","2724.4","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 N3 O7 S2 -","- C29 H25 N3 O7 S2 -","- C116 H100 N12 O28 S8 -","4","1","","Li, Yong; Zhu, Shugao; Li, Jian; Li, Ang","Asymmetric Total Syntheses of Aspidodasycarpine, Lonicerine, and the Proposed Structure of Lanciferine.","Journal of the American Chemical Society","2016","138","12","3982","","10.1021/jacs.6b00764","","","1.54178","CuKα","","0.041","0.0404","","","0.1108","0.1114","","","","","","1.04","","","","has coordinates","181428","2020-10-21","18:00:00",""
"4125012","11.3674","0.0001","18.7715","0.0001","24.657","0.0002","90","","90","","90","","5261.39","0.07","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Sn{BN2(Ar)2C2H2}Cl2","","- C52 H72 B2 Cl2 N4 Sn -","- C52 H72 B2 Cl2 N4 Sn -","- C208 H288 B8 Cl8 N16 Sn4 -","4","1","","Protchenko, Andrey V.; Bates, Joshua I.; Saleh, Liban M. A.; Blake, Matthew P.; Schwarz, Andrew D.; Kolychev, Eugene L.; Thompson, Amber L.; Jones, Cameron; Mountford, Philip; Aldridge, Simon","Enabling and Probing Oxidative Addition and Reductive Elimination at a Group 14 Metal Center: Cleavage and Functionalization of E-H Bonds by a Bis(boryl)stannylene.","Journal of the American Chemical Society","2016","138","13","4555","4564","10.1021/jacs.6b00710","","","0.71073","MoKα","","0.038","0.0328","","0.0391","0.034","0.0329","","","","","","0.9499","","","","has coordinates","182495","2020-10-21","18:00:00",""
"4125017","5.633","0.002","16.777","0.007","21.917","0.008","90","","90","","90","","2071.3","1.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br O3 -","- C23 H25 Br O3 -","- C92 H100 Br4 O12 -","4","1","","Amador, Adrian G.; Sherbrook, Evan M.; Yoon, Tehshik P.","Enantioselective Photocatalytic [3 + 2] Cycloadditions of Aryl Cyclopropyl Ketones.","Journal of the American Chemical Society","2016","138","14","4722","4725","10.1021/jacs.6b01728","","x-ray","0.71073","MoKα","","0.0449","0.0365","","","0.0858","0.0885","","","","","","1.068","","","","has coordinates","182505","2020-10-21","18:00:00",""
"4125030","6.0238","0.0003","8.4261","0.0005","32.0021","0.0009","90","","90","","90","","1624.34","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O2 Si -","- C16 H24 O2 Si -","- C64 H96 O8 Si4 -","4","1","","Nguyen, Khoa D.; Herkommer, Daniel; Krische, Michael J.","Ruthenium-BINAP Catalyzed Alcohol C-H tert-Prenylation via 1,3-Enyne Transfer Hydrogenation: Beyond Stoichiometric Carbanions in Enantioselective Carbonyl Propargylation.","Journal of the American Chemical Society","2016","138","16","5238","5241","10.1021/jacs.6b02279","","","1.54184","CuKα","","0.0237","0.0234","","","0.0615","0.0618","","","","","","1.048","","","","has coordinates","182499","2020-10-21","18:00:00",""
"4125046","9.2311","0.0004","18.4418","0.0007","37.1578","0.0014","90","","90","","90","","6325.7","0.4","100","2","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H56 Br8 N6 O12 -","- C64 H56 Br8 N6 O12 -","- C256 H224 Br32 N24 O48 -","4","1","","Nalluri, Siva Krishna Mohan; Liu, Zhichang; Wu, Yilei; Hermann, Keith R.; Samanta, Avik; Kim, Dong Jun; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Stoddart, J. Fraser","Chiral Redox-Active Isosceles Triangles.","Journal of the American Chemical Society","2016","138","18","5968","5977","10.1021/jacs.6b02086","","","1.54178","CuKα","","0.1038","0.1034","","","0.2685","0.2688","","","","","","1.108","","","","has coordinates,has disorder","183566","2020-10-21","18:00:00",""
"4125070","10.73","0.0014","14.3916","0.0019","18.13","0.002","90","","90","","90","","2799.7","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H27 N2 O4 Rh -","- C34 H27 N2 O4 Rh -","- C136 H108 N8 O16 Rh4 -","4","1","","Morisaki, Kazuhiro; Sawa, Masanao; Yonesaki, Ryohei; Morimoto, Hiroyuki; Mashima, Kazushi; Ohshima, Takashi","Mechanistic Studies and Expansion of the Substrate Scope of Direct Enantioselective Alkynylation of α-Ketiminoesters Catalyzed by Adaptable (Phebox)Rhodium(III) Complexes.","Journal of the American Chemical Society","2016","138","19","6194","6203","10.1021/jacs.6b01590","","","0.71073","MoKα","","0.0178","0.0175","","","0.0451","0.0453","","","","","","1.05","","","","has coordinates","183576","2020-10-21","18:00:00",""
"4125074","9.147","0.003","9.787","0.003","31.937","0.01","90","","90","","90","","2859.1","1.6","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 B2 O2 -","- C32 H40 B2 O2 -","- C128 H160 B8 O8 -","4","1","","Kojima, Chiemi; Lee, Ka-Ho; Lin, Zhenyang; Yamashita, Makoto","Direct and Base-Catalyzed Diboration of Alkynes Using the Unsymmetrical Diborane(4), pinB-BMes2.","Journal of the American Chemical Society","2016","138","20","6662","6669","10.1021/jacs.6b03686","","","0.71075","MoKα","","0.088","0.0749","","","0.184","0.1978","","","","","","1.117","","","","has coordinates","183569","2020-10-21","18:00:00",""
"4125088","5.8398","0.0002","21.5974","0.0008","23.1903","0.0008","90","","90","","90","","2924.86","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C132 H144 O36 -","12","3","","Huang, Yuan; Huang, Rui-Zhi; Zhao, Yu","Cobalt-Catalyzed Enantioselective Vinylation of Activated Ketones and Imines.","Journal of the American Chemical Society","2016","138","20","6571","6576","10.1021/jacs.6b02372","","","1.54178","CuKα","","0.0428","0.0377","","","0.0929","0.0962","","","","","","1.054","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4125101","8.1091","0.0011","9.773","0.0013","16.327","0.002","90","","90","","90","","1293.9","0.3","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 N3 O3 -","- C10 H23 N3 O3 -","- C40 H92 N12 O12 -","4","1","","Kim, Byoungmoo; Chinn, Alex J.; Fandrick, Daniel R.; Senanayake, Chris H.; Singer, Robert A.; Miller, Scott J.","Distal Stereocontrol Using Guanidinylated Peptides as Multifunctional Ligands: Desymmetrization of Diarylmethanes via Ullman Cross-Coupling.","Journal of the American Chemical Society","2016","138","25","7939","7945","10.1021/jacs.6b03444","","","0.71075","MoKα","","0.0503","0.0439","","","0.0859","0.0881","","","","","","1.167","","","","has coordinates","184930","2020-10-21","18:00:00",""
"4125115","7.9683","0.0002","10.4097","0.0003","22.0972","0.0008","90","","90","","90","","1832.91","0.1","185","","185","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C92 H96 N8 O12 -","4","1","","Allemann, Oliver; Brutsch, Manuela; Lukesh, 3rd, John C; Brody, Daniel M.; Boger, Dale L.","Synthesis of a Potent Vinblastine: Rationally Designed Added Benign Complexity.","Journal of the American Chemical Society","2016","138","27","8376","8379","10.1021/jacs.6b04330","","x-ray","0.71073","MoKα","","0.0469","0.0365","","","0.081","0.0863","","","","","","1.047","","","","has coordinates","187903","2020-10-21","18:00:00",""
"4125155","7.6501","0.0006","13.2544","0.0009","15.2454","0.001","90","","90","","90","","1545.85","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal M.; Saleh, Liban M. A.; Axtell, Jonathan C.; Martin, Joshua L.; Stevens, Simone L.; Royappa, A. Timothy; Rheingold, Arnold L.; Spokoyny, Alexander M.","B-N, B-O, and B-CN Bond Formation via Palladium-Catalyzed Cross-Coupling of B-Bromo-Carboranes.","Journal of the American Chemical Society","2016","138","29","9081","9084","10.1021/jacs.6b05505","","x-ray","0.71073","MoKα","","0.0465","0.0367","","","0.0844","0.0901","","","","","","1.023","","","","has coordinates","187916","2020-10-21","18:00:00",""
"4125173","6.3942","0.0005","11.6678","0.0009","24.848","0.002","90","","90","","90","","1853.8","0.3","120","2","119.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Chapman, Lauren M.; Beck, Jordan C.; Wu, Linglin; Reisman, Sarah E.","Enantioselective Total Synthesis of (+)-Psiguadial B.","Journal of the American Chemical Society","2016","138","31","9803","9806","10.1021/jacs.6b07229","","","1.54178","CuKα","","0.0294","0.0292","","","0.0782","0.0785","","","","","","1.043","","","","has coordinates","187908","2020-10-21","18:00:00",""
"4125183","9.8511","0.0014","16.512","0.003","20.18","0.003","90","","90","","90","","3282.5","0.9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H48 N2 Si3 -","- C32 H48 N2 Si3 -","- C128 H192 N8 Si12 -","4","1","","Wang, Zhendong; Zhang, Jianying; Li, Jianfeng; Cui, Chunming","NHC-Stabilized Silicon-Carbon Mixed Cumulene.","Journal of the American Chemical Society","2016","138","33","10421","10424","10.1021/jacs.6b06960","","","0.71073","MoKα","","0.0555","0.0399","","","0.1055","0.119","","","","","","0.831","","","","has coordinates","187922","2020-10-21","18:00:00",""
"4125185","7.5669","0.0001","14.1761","0.0002","15.2272","0.0002","90","","90","","90","","1633.41","0.04","130","2","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Wang, Jie; Chen, Mu-Wang; Ji, Yue; Hu, Shu-Bo; Zhou, Yong-Gui","Kinetic Resolution of Axially Chiral 5- or 8-Substituted Quinolines via Asymmetric Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10413","10416","10.1021/jacs.6b06009","","","1.54178","CuKα","","0.0318","0.0313","","","0.0805","0.0811","","","","","","1.064","","","","has coordinates","187924","2020-10-21","18:00:00",""
"4125186","7.3982","0.0009","7.3861","0.001","27.199","0.003","90","","90","","90","","1486.3","0.3","293","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N -","- C20 H15 N -","- C80 H60 N4 -","4","1","","Wang, Jie; Chen, Mu-Wang; Ji, Yue; Hu, Shu-Bo; Zhou, Yong-Gui","Kinetic Resolution of Axially Chiral 5- or 8-Substituted Quinolines via Asymmetric Transfer Hydrogenation.","Journal of the American Chemical Society","2016","138","33","10413","10416","10.1021/jacs.6b06009","","","1.54178","CuKα","","0.0845","0.0785","","","0.2337","0.2459","","","","","","1.114","","","","has coordinates","187924","2020-10-21","18:00:00",""
"4125190","11.9543","0.0005","14.3559","0.0006","16.4299","0.0007","90","","90","","90","","2819.6","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H37 B10 Cl O4 P2 Ru -","- C16 H37 B10 Cl O4 P2 Ru -","- C64 H148 B40 Cl4 O16 P8 Ru4 -","4","1","","Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.","(BB)-Carboryne Complex of Ruthenium: Synthesis by Double B-H Activation at a Single Metal Center.","Journal of the American Chemical Society","2016","138","33","10531","10538","10.1021/jacs.6b05172","","x-ray","0.71073","MoKα","","0.0279","0.0222","","","0.0411","0.0425","","","","","","1.026","","","","has coordinates","187923","2020-10-21","18:00:00",""
"4125200","12.8244","0.0009","12.9947","0.0009","24.5725","0.0017","90","","90","","90","","4095","0.5","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H42 Co2 O4 P2 S Si -","- C43 H42 Co2 O4 P2 S Si -","- C172 H168 Co8 O16 P8 S4 Si4 -","4","1","","Terada, Masahiro; Ota, Yusuke; Li, Feng; Toda, Yasunori; Kondoh, Azusa","Enantioconvergent Nucleophilic Substitution Reaction of Racemic Alkyne-Dicobalt Complex (Nicholas Reaction) Catalyzed by Chiral Brønsted Acid.","Journal of the American Chemical Society","2016","138","34","11038","11043","10.1021/jacs.6b05948","","","1.54178","CuKα","","0.0362","0.0356","","","0.1085","0.1096","","","","","","0.985","","","","has coordinates","187920","2020-10-21","18:00:00",""
"4125228","8.1727","0.0003","12.9877","0.0005","19.1341","0.0007","90","","90","","90","","2030.98","0.13","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O -","- C25 H29 N O -","- C100 H116 N4 O4 -","4","1","","Zhou, Qi; Cobb, Kelsey M.; Tan, Tianyu; Watson, Mary P.","Stereospecific Cross Couplings To Set Benzylic, All-Carbon Quaternary Stereocenters in High Enantiopurity.","Journal of the American Chemical Society","2016","138","37","12057","12060","10.1021/jacs.6b08075","","","1.54178","CuKα","","0.0544","0.0492","","","0.1479","0.155","","","","","","1.171","","","","has coordinates","187918","2020-10-21","18:00:00",""
"4125317","8.1179","0.0001","11.3464","0.0002","32.427","0.0004","90","","90","","90","","2986.82","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F3 N2 O3 -","- C15 H15 F3 N2 O3 -","- C120 H120 F24 N16 O24 -","8","2","","Hu, Lin; Wu, Yongwei; Li, Zhe; Deng, Li","Catalytic Asymmetric Synthesis of Chiral γ-Amino Ketones via Umpolung Reactions of Imines","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09754","","","1.5418","CuKα","","0.0266","0.0266","","0.0663","0.0663","0.0663","","","","","","1.0103","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4125318","5.2842","0.0002","10.4412","0.0003","28.9439","0.0009","90","","90","","90","","1596.93","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C68 H92 N4 O12 -","4","1","","Hu, Lin; Wu, Yongwei; Li, Zhe; Deng, Li","Catalytic Asymmetric Synthesis of Chiral γ-Amino Ketones via Umpolung Reactions of Imines","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09754","","","1.5418","CuKα","","0.0471","0.0373","","0.0817","0.0767","0.0817","","","","","","0.9795","","","","has coordinates,has disorder","188782","2020-10-21","18:00:00",""
"4125319","5.344","0.0001","10.8072","0.0003","26.8774","0.0007","90","","90","","90","","1552.27","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Hu, Lin; Wu, Yongwei; Li, Zhe; Deng, Li","Catalytic Asymmetric Synthesis of Chiral γ-Amino Ketones via Umpolung Reactions of Imines","Journal of the American Chemical Society","2016","","","","","10.1021/jacs.6b09754","","","1.54178","CuKα","","0.0265","0.0251","","0.0613","0.0609","0.0613","","","","","","1.0142","","","","has coordinates","188783","2020-10-21","18:00:00",""
"4125320","4.9106","0.0002","12.146","0.0004","20.1647","0.0006","90","","90","","90","","1202.71","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 9g","compound 9g","","- C16 H10 F N O -","- C16 H10 F N O -","- C64 H40 F4 N4 O4 -","4","1","","Jiao, Zhiwei; Beiger, Jason J.; Jin, Yushu; Ge, Shaozhong; Zhou, Jianrong Steve; Hartwig, John F.","Palladium-Catalyzed Enantioselective α-Arylation of α-Fluoroketones.","Journal of the American Chemical Society","2016","138","49","15980","15986","10.1021/jacs.6b09580","","","1.54178","CuKα","","0.0283","0.0272","","","0.0714","0.0724","","","","","","1.047","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125325","8.3035","0.0002","21.4423","0.0006","26.1632","0.0007","90","","90","","90","","4658.3","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_LIT_1_TBS","maimone91","","- C16 H24 O5 -","- C16 H24 O5 -","- C192 H288 O60 -","12","3","","Hung, Kevin; Condakes, Matthew L.; Morikawa, Takahiro; Maimone, Thomas J.","Oxidative Entry into the Illicium Sesquiterpenes: Enantiospecific Synthesis of (+)-Pseudoanisatin.","Journal of the American Chemical Society","2016","138","51","16616","16619","10.1021/jacs.6b11739","","","1.54178","CuKα","","0.045","0.0407","","","0.0873","0.0892","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125326","6.1706","0.0005","13.4053","0.001","18.2977","0.0013","90","","90","","90","","1513.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","MLC-IV-252","maimone78","","- C16 H26 O5 -","- C16 H26 O5 -","- C64 H104 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Morikawa, Takahiro; Maimone, Thomas J.","Oxidative Entry into the Illicium Sesquiterpenes: Enantiospecific Synthesis of (+)-Pseudoanisatin.","Journal of the American Chemical Society","2016","138","51","16616","16619","10.1021/jacs.6b11739","","","1.54178","CuKα","","0.0256","0.0255","","","0.0671","0.0672","","","","","","1.063","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4125337","11.7505","0.0008","15.361","0.0011","16.1615","0.0011","90","","90","","90","","2917.1","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 N5 O7 -","- C25 H43 N5 O7 -","- C100 H172 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0251","0.0244","","","0.063","0.0635","","","","","","1.043","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125339","12.4001","0.0019","15.333","0.002","16.44","0.002","90","","90","","90","","3125.7","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 N6 O6 -","- C28 H50 N6 O6 -","- C112 H200 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0659","0.0507","","","0.1139","0.1212","","","","","","1.065","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125340","9.6322","0.0007","10.7847","0.0008","30.96","0.002","90","","90","","90","","3216.1","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H50 N6 O6 -","- C27 H50 N6 O6 -","- C108 H200 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0511","0.0466","","","0.1179","0.1207","","","","","","1.204","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125342","16.3898","0.0011","18.3004","0.0013","24.0255","0.0017","90","","90","","90","","7206.2","0.9","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H53 N5 O7.5 -","- C34 H53 N5 O7.5 -","- C272 H424 N40 O60 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0731","0.0445","","","0.1004","0.118","","","","","","1.01","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125344","9.4965","0.0007","10.4398","0.0007","31.132","0.002","90","","90","","90","","3086.5","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 N6 O6 -","- C26 H46 N6 O6 -","- C104 H184 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0375","0.032","","","0.0751","0.0764","","","","","","1.025","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125345","16.145","0.0011","16.2685","0.0011","21.7425","0.0015","90","","90","","90","","5710.8","0.7","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H43 N5 O7 -","- C24 H43 N5 O7 -","- C192 H344 N40 O56 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.1062","0.0592","","","0.126","0.1479","","","","","","1.048","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125346","9.6442","0.0007","10.6337","0.0007","28.723","0.002","90","","90","","90","","2945.6","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H45 N5 O7 -","- C25 H45 N5 O7 -","- C100 H180 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0245","0.0241","","","0.0625","0.0629","","","","","","1.048","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125347","9.5116","0.0004","10.8943","0.0004","30.9331","0.0011","90","","90","","90","","3205.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 N6 O6 -","- C30 H46 N6 O6 -","- C120 H184 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.512","Synchrotron","","0.0317","0.0309","","","0.0777","0.0782","","","","","","1.054","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125349","9.7528","0.0007","10.8277","0.0008","29.439","0.002","90","","90","","90","","3108.8","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 N5 O7 -","- C29 H45 N5 O7 -","- C116 H180 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0235","0.0232","","","0.0571","0.0573","","","","","","1.052","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125352","9.5263","0.0003","10.9728","0.0004","28.9779","0.001","90","","90","","90","","3029.07","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H47 N5 O7 -","- C26 H47 N5 O7 -","- C104 H188 N20 O28 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0479","0.0383","","","0.0893","0.0943","","","","","","1.02","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125357","11.725","0.015","22.82","0.03","25.93","0.03","90","","90","","90","","6938","15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 N6 O6 -","- C32 H52 N6 O6 -","- C256 H416 N48 O48 -","8","2","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0773","0.0575","","","0.129","0.1385","","","","","","1.093","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125359","9.7541","0.0007","10.7355","0.0008","29.43","0.002","90","","90","","90","","3081.8","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 N6 O6 -","- C27 H48 N6 O6 -","- C108 H192 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0255","0.0239","","","0.0667","0.0737","","","","","","1.148","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125360","9.6852","0.0007","10.7444","0.0008","31.296","0.002","90","","90","","90","","3256.7","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H50 N6 O6 -","- C29 H50 N6 O6 -","- C116 H200 N24 O24 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","1.54178","CuKα","","0.0502","0.0419","","","0.099","0.1044","","","","","","1.047","","","","has coordinates,has disorder","193472","2020-10-21","18:00:00",""
"4125362","14.0134","0.0006","21.2939","0.0009","11.1225","0.0004","90","","90","","90","","3319","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N4 O7 S -","- C30 H44 N4 O7 S -","- C120 H176 N16 O28 S4 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0458","0.0416","","","0.1062","0.1082","","","","","","1.138","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125364","11.8017","0.0005","15.0992","0.0006","19.6217","0.0008","90","","90","","90","","3496.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 N4 O7 S -","- C33 H50 N4 O7 S -","- C132 H200 N16 O28 S4 -","4","1","","Metrano, Anthony J.; Abascal, Nadia C.; Mercado, Brandon Q.; Paulson, Eric K.; Hurtley, Anna E.; Miller, Scott J.","Diversity of Secondary Structure in Catalytic Peptides with β-Turn-Biased Sequences.","Journal of the American Chemical Society","2017","139","1","492","516","10.1021/jacs.6b11348","","","0.7749","Synchrotron","","0.0368","0.0318","","","0.0824","0.0853","","","","","","1.037","","","","has coordinates","193472","2020-10-21","18:00:00",""
"4125430","5.846","0.0004","14.9613","0.0009","16.7311","0.0012","90","","90","","90","","1463.36","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-JML-95","","","- C19 H21 N -","- C19 H21 N -","- C76 H84 N4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","","0.71073","MoKα","","0.0455","0.0415","","","0.102","0.1051","","","","","","1.022","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125433","6.6458","0.0002","8.1522","0.0003","48.228","0.0015","90","","90","","90","","2612.89","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 F3 O4 S -","- C30 H33 F3 O4 S -","- C120 H132 F12 O16 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","1.54178","CuKα","","0.0414","0.0391","","","0.0953","0.0968","","","","","","1.047","","","","has coordinates,has disorder","193491","2020-10-21","18:00:00",""
"4125434","10.4069","0.0003","12.6398","0.0004","13.3704","0.0004","90","","90","","90","","1758.76","0.09","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br F2 O4 S -","- C18 H15 Br F2 O4 S -","- C72 H60 Br4 F8 O16 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0355","0.0315","","","0.0775","0.0797","","","","","","1.031","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125438","6.7965","0.0003","11.0812","0.0005","13.9075","0.0005","90","","90","","90","","1047.42","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F2 O2 S -","- C11 H10 F2 O2 S -","- C44 H40 F8 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0319","0.0307","","","0.0797","0.0814","","","","","","1.028","","","","has coordinates","193491","2020-10-21","18:00:00",""
"4125453","10.4158","0.0003","12.3181","0.0004","20.3632","0.0007","90","","90","","90","","2612.66","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 Br O6 -","- C32 H27 Br O6 -","- C128 H108 Br4 O24 -","4","1","","Zhao, Guoqing; Xu, Guangqing; Qian, Chao; Tang, Wenjun","Efficient Enantioselective Syntheses of (+)-Dalesconol A and B.","Journal of the American Chemical Society","2017","139","9","3360","3363","10.1021/jacs.7b00783","","","1.54178","CuKα","","0.0628","0.0408","","","0.0871","0.0966","","","","","","1.022","","","","has coordinates","194836","2020-10-21","18:00:00",""
"4125467","18.6539","0.0004","20.3751","0.0004","20.911","0.0004","90","","90","","90","","7947.7","0.3","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C79 H82 B F24 Mo N3 O P2 -","- C79 H82 B F24 Mo N3 O P2 -","- C316 H328 B4 F96 Mo4 N12 O4 P8 -","4","1","","Bhattacharya, Papri; Heiden, Zachariah M.; Wiedner, Eric S.; Raugei, Simone; Piro, Nicholas A.; Kassel, W. Scott; Bullock, R. Morris; Mock, Michael T.","Ammonia Oxidation by Abstraction of Three Hydrogen Atoms from a Mo-NH3 Complex.","Journal of the American Chemical Society","2017","139","8","2916","2919","10.1021/jacs.7b00002","","","0.71073","MoKα","","0.0539","0.0446","","","0.1071","0.1127","","","","","","1.046","","","","has coordinates,has disorder","193476","2020-10-21","18:00:00",""
"4125477","10.557","0.002","11.967","0.002","23.185","0.005","90","","90","","90","","2929.1","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Br N2 O4 S -","- C32 H33 Br N2 O4 S -","- C128 H132 Br4 N8 O16 S4 -","4","1","","Liang, Xiao; Zhang, Tian-Yuan; Zeng, Xue-Yi; Zheng, Yu; Wei, Kun; Yang, Yu-Rong","Ir-Catalyzed Asymmetric Total Synthesis of (-)-Communesin F.","Journal of the American Chemical Society","2017","139","9","3364","3367","10.1021/jacs.7b00854","","","0.71073","MoKα","","0.0595","0.0457","","","0.0762","0.0783","","","","","","1.307","","","","has coordinates","194839","2020-10-21","18:00:00",""
"4125502","6.7115","0.0002","12.5511","0.0003","17.2878","0.0005","90","","90","","90","","1456.27","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 O5 S -","- C13 H15 N3 O5 S -","- C52 H60 N12 O20 S4 -","4","1","","Karak, Suvendu; Kandambeth, Sharath; Biswal, Bishnu P.; Sasmal, Himadri Sekhar; Kumar, Sushil; Pachfule, Pradip; Banerjee, Rahul","Constructing Ultraporous Covalent Organic Frameworks in Seconds via an Organic Terracotta Process.","Journal of the American Chemical Society","2017","139","5","1856","1862","10.1021/jacs.6b08815","","","0.71073","MoKα","","0.038","0.0357","","","0.0966","0.0983","","","","","","1.047","","","","has coordinates","193495","2020-10-21","18:00:00",""
"4125530","5.2682","0.0002","13.5894","0.0004","18.7378","0.0005","90","","90","","90","","1341.47","0.07","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O -","- C16 H15 Br O -","- C64 H60 Br4 O4 -","4","1","","Wang, Yong; Wen, Xin; Cui, Xin; Wojtas, Lukasz; Zhang, X. Peter","Asymmetric Radical Cyclopropanation of Alkenes with In Situ-Generated Donor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.","Journal of the American Chemical Society","2017","139","3","1049","1052","10.1021/jacs.6b11336","","","1.54178","CuKα","","0.0229","0.0228","","","0.0597","0.0598","","","","","","1.106","","","","has coordinates","193523","2020-10-21","18:00:00",""
"4125532","8.189","0.0005","18.7027","0.0011","23.157","0.0011","90","","90","","90","","3546.6","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cr O2 P2 -","- C40 H38 Cr O2 P2 -","- C160 H152 Cr4 O8 P8 -","4","1","","Kamikawa, Ken; Tseng, Ya-Yi; Jian, Jia-Hong; Takahashi, Tamotsu; Ogasawara, Masamichi","Planar-Chiral Phosphine-Olefin Ligands Exploiting a (Cyclopentadienyl)manganese(I) Scaffold To Achieve High Robustness and High Enantioselectivity.","Journal of the American Chemical Society","2017","139","4","1545","1553","10.1021/jacs.6b11243","","","0.71075","MoKα","","0.0539","0.0401","","","0.0961","0.1024","","","","","","1.026","","","","has coordinates","193502","2020-10-21","18:00:00",""
"4125539","6.75939","0.00009","10.99247","0.00011","27.3555","0.0003","90","","90","","90","","2032.58","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 N2 O6 -","- C24 H16 N2 O6 -","- C96 H64 N8 O24 -","4","1","","Raut, Vivek S.; Jean, Marion; Vanthuyne, Nicolas; Roussel, Christian; Constantieux, Thierry; Bressy, Cyril; Bugaut, Xavier; Bonne, Damien; Rodriguez, Jean","Enantioselective Syntheses of Furan Atropisomers by an Oxidative Central-to-Axial Chirality Conversion Strategy.","Journal of the American Chemical Society","2017","139","6","2140","2143","10.1021/jacs.6b11079","","x-ray","1.54184","CuKα","","0.0305","0.0301","","","0.0814","0.0818","","","","","","1.037","","","","has coordinates","193511","2020-10-21","18:00:00",""
"4125601","6.48052","0.0001","9.6387","0.00012","27.4697","0.0003","90","","90","","90","","1715.86","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B N O2 -","- C17 H24 B N O2 -","- C68 H96 B4 N4 O8 -","4","1","","Yang, Ji-Min; Li, Zi-Qi; Li, Mao-Lin; He, Qiao; Zhu, Shou-Fei; Zhou, Qi-Lin","Catalytic B-H Bond Insertion Reactions Using Alkynes as Carbene Precursors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.6b13168","","x-ray","1.54184","CuKα","","0.0373","0.0368","","","0.1059","0.1065","","","","","","1.029","","","","has coordinates","192795","2020-10-21","18:00:00",""
"4125615","14.8348","0.0006","21.7778","0.001","30.4291","0.0013","90","","90","","90","","9830.7","0.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H24 Cl2 F24 Rh2 -","- C46 H24 Cl2 F24 Rh2 -","- C368 H192 Cl16 F192 Rh16 -","8","2","","Bartlett, Samuel L.; Keiter, Kimberly M.; Johnson, Jeffrey S.","Synthesis of Complex Tertiary Glycolates by Enantioconvergent Arylation of Stereochemically Labile α-Keto Esters.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b00943","","","1.54178","CuKα","","0.0527","0.0486","","","0.1183","0.1215","","","","","","1.031","","","","has coordinates,has disorder","192877","2020-10-21","18:00:00",""
"4125630","10.9335","0.0005","12.7302","0.0006","19.1398","0.0008","90","","90","","90","","2664","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 B F4 Fe N5 O3 -","- C24 H32 B F4 Fe N5 O3 -","- C96 H128 B4 F16 Fe4 N20 O12 -","4","1","","Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng","{Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.","Journal of the American Chemical Society","2017","139","1","67","70","10.1021/jacs.6b11454","","","0.71073","MoKα","","0.0254","0.022","","","0.0616","0.0751","","","","","","1.192","","","","has coordinates","193027","2020-10-21","18:00:00",""
"4125639","17.6216","0.0013","18.3846","0.0013","32.285","0.002","90","","90","","90","","10459.2","1.2","113","2","113","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C109 H146 F3 Ir2 N2 O9 P2 S -","- C109 H146 F3 Ir2 N2 O9 P2 S -","- C436 H584 F12 Ir8 N8 O36 P8 S4 -","4","1","","Li, Mao-Lin; Yang, Shuang; Su, Xun-Cheng; Wu, Hui-Ling; Yang, Liang-Liang; Zhu, Shou-Fei; Zhou, Qi-Lin","Mechanism Studies of Ir-Catalyzed Asymmetric Hydrogenation of Unsaturated Carboxylic Acids.","Journal of the American Chemical Society","2017","139","1","541","547","10.1021/jacs.6b11655","","","0.71073","MoKα","","0.0209","0.0181","","","0.0373","0.0382","","","","","","1.046","","","","has coordinates,has disorder","193036","2020-10-21","18:00:00",""
"4125641","7.5778","0.0001","25.9067","0.0005","36.526","0.003","90","","90","","90","","7170.6","0.6","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 B F4 N O -","- C20 H18 B F4 N O -","- C320 H288 B16 F64 N16 O16 -","16","4","","Sevov, Christo S.; Hickey, David P.; Cook, Monique E.; Robinson, Sophia G.; Barnett, Shoshanna; Minteer, Shelley D.; Sigman, Matthew S.; Sanford, Melanie S.","Physical Organic Approach to Persistent, Cyclable, Low-Potential Electrolytes for Flow Battery Applications.","Journal of the American Chemical Society","2017","139","8","2924","2927","10.1021/jacs.7b00147","","","1.54178","CuKα","","0.0928","0.0699","","","0.1756","0.1928","","","","","","0.962","","","","has coordinates","193038","2020-10-21","18:00:00",""
"4125662","7.4292","0.0018","12.851","0.003","23.312","0.006","90","","90","","90","","2225.7","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 Cl2 O4 -","- C23 H32 Cl2 O4 -","- C92 H128 Cl8 O16 -","4","1","","Zhao, Xiangbo; Li, Wu; Wang, Junjie; Ma, Dawei","Convergent Route to ent-Kaurane Diterpenoids: Total Synthesis of Lungshengenin D and 1α,6α-Diacetoxy-ent-kaura-9(11),16-dien-12,15-dione.","Journal of the American Chemical Society","2017","139","8","2932","2935","10.1021/jacs.7b00140","","","0.71073","MoKα","","0.104","0.0581","","","0.1301","0.1482","","","","","","0.999","","","","has coordinates","193059","2020-10-21","18:00:00",""
"4125685","6.7986","0.0006","11.0791","0.0009","13.905","0.0011","90","","90","","90","","1047.36","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F2 O2 S -","- C11 H10 F2 O2 S -","- C44 H40 F8 O8 S4 -","4","1","","Lopchuk, Justin M.; Fjelbye, Kasper; Kawamata, Yu; Malins, Lara R.; Pan, Chung-Mao; Gianatassio, Ryan; Wang, Jie; Prieto, Liher; Bradow, James; Brandt, Thomas A.; Collins, Michael R.; Elleraas, Jeff; Ewanicki, Jason; Farrell, William; Fadeyi, Olugbeminiyi O.; Gallego, Gary M.; Mousseau, James J.; Oliver, Robert; Sach, Neal W.; Smith, Jason K.; Spangler, Jillian E.; Zhu, Huichin; Zhu, Jinjiang; Baran, Phil S.","Strain-Release Heteroatom Functionalization: Development, Scope, and Stereospecificity.","Journal of the American Chemical Society","2017","139","8","3209","3226","10.1021/jacs.6b13229","","x-ray","0.71073","MoKα","","0.0401","0.0376","","","0.0953","0.0978","","","","","","1.05","","","","has coordinates","193082","2020-10-21","18:00:00",""
"4125703","3.9952","0.0019","11.784","0.005","27.285","0.013","90","","90","","90","","1284.6","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 I N O4 -","- C13 H8 I N O4 -","- C52 H32 I4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0392","0.0361","","","0.0968","0.1242","","","","","","1.185","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125704","3.9824","0.0016","12.681","0.005","27.238","0.011","90","","90","","90","","1375.5","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 I N O4 -","- C14 H10 I N O4 -","- C56 H40 I4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0487","0.0452","","","0.1278","0.1471","","","","","","1.149","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125705","3.845","0.002","11.65","0.007","27.482","0.016","90","","90","","90","","1231","1.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Br N O4 -","- C13 H8 Br N O4 -","- C52 H32 Br4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0403","0.0367","","","0.0995","0.1322","","","","","","1.156","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125706","3.798","0.003","11.703","0.009","27.12","0.02","90","","90","","90","","1205.4","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Cl N O4 -","- C13 H8 Cl N O4 -","- C52 H32 Cl4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0519","0.0478","","","0.1163","0.1382","","","","","","1.092","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125707","3.843","0.003","12.597","0.008","27.201","0.018","90","","90","","90","","1316.8","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C56 H40 Br4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0446","0.0412","","","0.1061","0.1393","","","","","","1.198","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125708","3.878","0.006","12.317","0.019","28.6","0.05","90","","90","","90","","1366","4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br F N O4 -","- C14 H9 Br F N O4 -","- C56 H36 Br4 F4 N4 O16 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Crystal Engineering of Hand-Twisted Helical Crystals.","Journal of the American Chemical Society","2017","139","5","1975","1983","10.1021/jacs.6b11835","","","0.71073","MoKα","","0.0663","0.0554","","","0.1448","0.1779","","","","","","1.128","","","","has coordinates","193092","2020-10-21","18:00:00",""
"4125717","11.6613","0.0019","11.813","0.002","24.565","0.006","90","","90","","90","","3384","1.1","566","2","566","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Br N O2 -","- C31 H30 Br N O2 -","- C124 H120 Br4 N4 O8 -","4","1","","Zhang, Lei; Zhang, Jian; Ma, Ji; Cheng, Dao-Juan; Tan, Bin","Highly Atroposelective Synthesis of Arylpyrroles by Catalytic Asymmetric Paal-Knorr Reaction.","Journal of the American Chemical Society","2017","139","5","1714","1717","10.1021/jacs.6b09634","","","0.71","MoKα","","0.0947","0.0814","","","0.2243","0.2436","","","","","","1.025","","","","has coordinates","193096","2020-10-21","18:00:00",""
"4125729","6.7401","0.0003","11.1362","0.0004","13.6362","0.0005","90","","90","","90","","1023.52","0.07","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Smalley, Adam P.; Cuthbertson, James D.; Gaunt, Matthew J.","Palladium-Catalyzed Enantioselective C-H Activation of Aliphatic Amines Using Chiral Anionic BINOL-Phosphoric Acid Ligands.","Journal of the American Chemical Society","2017","139","4","1412","1415","10.1021/jacs.6b12234","","","1.54178","CuKα","","0.0261","0.0254","","","0.0658","0.0667","","","","","","1.059","","","","has coordinates","193108","2020-10-21","18:00:00",""
"4125733","10.75","0.004","24.403","0.014","25.635","0.006","90","","90","","90","","6725","5","100","","100","","","","","","","","dichloromethane,pentane","9","P 21 21 21","P 2ac 2ab","19","","Title","","- C69.5 H63 Au Cl4 F6 N2 O4 P Sb -","- C69.5 H63 Au Cl4 F6 N2 O4 P Sb -","- C278 H252 Au4 Cl16 F24 N8 O16 P4 Sb4 -","4","1","","González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel","Enantioselective Synthesis of [6]Carbohelicenes.","Journal of the American Chemical Society","2017","139","4","1428","1431","10.1021/jacs.6b12443","","","0.71073","MoKα","","0.1087","0.0681","","","0.1573","0.1859","","","","","","1.054","","","","has coordinates,has disorder","193112","2020-10-21","18:00:00",""
"4125740","9.3923","0.0002","10.7073","0.0002","12.7975","0.0003","90","","90","","90","","1287","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0305","0.0284","","","0.0714","0.0729","","","","","","1.052","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125741","9.3935","0.0002","10.7059","0.0003","12.8032","0.0003","90","","90","","90","","1287.56","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0268","0.0258","","","0.0657","0.0664","","","","","","1.036","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125742","8.5255","0.0002","12.7647","0.0004","13.2058","0.0004","90","","90","","90","","1437.13","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0292","0.0273","","","0.0684","0.0697","","","","","","1.056","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125743","8.5245","0.0002","12.7658","0.0004","13.2061","0.0004","90","","90","","90","","1437.12","0.07","100","","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Kumarasamy, Elango; Raghunathan, Ramya; Kandappa, Sunil Kumar; Sreenithya, A.; Jockusch, Steffen; Sunoj, Raghavan B.; Sivaguru, J.","Transposed Paternò-Büchi Reaction.","Journal of the American Chemical Society","2017","139","2","655","662","10.1021/jacs.6b05936","","","1.54178","CuKα","","0.0287","0.0276","","","0.068","0.0689","","","","","","1.071","","","","has coordinates","193119","2020-10-21","18:00:00",""
"4125880","9.7948","0.0002","12.7635","0.0003","17.197","0.0004","90","","90","","90","","2149.9","0.08","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F7 N O3 -","- C23 H20 F7 N O3 -","- C92 H80 F28 N4 O12 -","4","1","","He, Jian; Shao, Qian; Wu, Qingfeng; Yu, Jin-Quan","Pd(II)-Catalyzed Enantioselective C(sp(3))-H Borylation.","Journal of the American Chemical Society","2017","139","9","3344","3347","10.1021/jacs.6b13389","","x-ray","1.54178","CuKα","","0.0254","0.0251","","","0.0631","0.0634","","","","","","1.046","","","","has coordinates","194737","2020-10-21","18:00:00",""
"4125881","6.2716","0.0002","15.4423","0.0004","19.9876","0.0005","90","","90","","90","","1935.76","0.09","125","","125","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Cl F7 N O2 -","- C20 H15 Cl F7 N O2 -","- C80 H60 Cl4 F28 N4 O8 -","4","1","","He, Jian; Shao, Qian; Wu, Qingfeng; Yu, Jin-Quan","Pd(II)-Catalyzed Enantioselective C(sp(3))-H Borylation.","Journal of the American Chemical Society","2017","139","9","3344","3347","10.1021/jacs.6b13389","","x-ray","1.54178","CuKα","","0.023","0.0226","","","0.0593","0.0596","","","","","","1.054","","","","has coordinates","194738","2020-10-21","18:00:00",""
"4125894","5.7856","0.0008","13.4044","0.001","19.945","0.003","90","","90","","90","","1546.8","0.3","298","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C56 H72 N24 O16 -","8","2","","Mitra, Shouvik; Sasmal, Himadri Sekhar; Kundu, Tanay; Kandambeth, Sharath; Illath, Kavya; Díaz Díaz, David; Banerjee, Rahul","Targeted Drug Delivery in Covalent Organic Nanosheets (CONs) via Sequential Postsynthetic Modification.","Journal of the American Chemical Society","2017","139","12","4513","4520","10.1021/jacs.7b00925","","","0.71073","MoKα","","0.1219","0.0765","","","0.1753","0.2065","","","","","","1.051","","","","has coordinates","194749","2020-10-21","18:00:00",""
"4125904","5.2899","0.0005","9.3662","0.0009","29.113","0.003","90","","90","","90","","1442.4","0.2","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 F3 N O3 S -","- C13 H16 F3 N O3 S -","- C52 H64 F12 N4 O12 S4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0543","0.0423","","","0.0934","0.0991","","","","","","1.039","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125905","4.99","0.0001","10.5256","0.0002","29.4272","0.0007","90","","90","","90","","1545.6","0.06","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F3 N O3 S -","- C14 H17 F3 N O3 S -","- C56 H68 F12 N4 O12 S4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","1.54178","CuKα","","0.029","0.0282","","","0.0787","0.0793","","","","","","1.013","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125907","8.1168","0.0007","9.4474","0.0009","29.166","0.003","90","","90","","90","","2236.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 O3 P -","- C26 H25 O3 P -","- C104 H100 O12 P4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","0.71073","MoKα","","0.0556","0.047","","","0.1177","0.1236","","","","","","1.025","","","","has coordinates","197435","2020-10-21","18:00:00",""
"4125908","9.6429","0.0002","18.4345","0.0004","20.8434","0.0004","90","","90","","90","","3705.17","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N3 S2 -","- C16 H27 N3 S2 -","- C128 H216 N24 S16 -","8","2","","Rombola, Michael; Sumaria, Chintan S.; Montgomery, Thomas D.; Rawal, Viresh H.","Development of Chiral, Bifunctional Thiosquaramides: Enantioselective Michael Additions of Barbituric Acids to Nitroalkenes.","Journal of the American Chemical Society","2017","139","15","5297","5300","10.1021/jacs.7b01115","","","1.54178","CuKα","","0.028","0.0255","","","0.0606","0.062","","","","","","0.962","","","","has coordinates","197436","2020-10-21","18:00:00",""
"4126012","6.1827","0.0004","16.2477","0.0009","18.7515","0.0011","90","","90","","90","","1883.68","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 B O5 -","- C20 H27 B O5 -","- C80 H108 B4 O20 -","4","1","","Yu, Songjie; Wu, Caizhi; Ge, Shaozhong","Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane.","Journal of the American Chemical Society","2017","139","19","6526","6529","10.1021/jacs.7b01708","","","1.54178","CuKα","","0.0276","0.0273","","","0.0686","0.0689","","","","","","1.052","","","","has coordinates","197419","2020-10-21","18:00:00",""
"4126013","6.126","0.0004","12.1135","0.0007","24.9789","0.0015","90","","90","","90","","1853.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 B F3 O3 -","- C19 H24 B F3 O3 -","- C76 H96 B4 F12 O12 -","4","1","","Yu, Songjie; Wu, Caizhi; Ge, Shaozhong","Cobalt-Catalyzed Asymmetric Hydroboration/Cyclization of 1,6-Enynes with Pinacolborane.","Journal of the American Chemical Society","2017","139","19","6526","6529","10.1021/jacs.7b01708","","","1.54178","CuKα","","0.0292","0.0285","","","0.0718","0.0724","","","","","","1.065","","","","has coordinates","197419","2020-10-21","18:00:00",""
"4126025","10.5693","0.001","11.1146","0.0011","21.504","0.002","90","","90","","90","","2526.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1","","- C16 H40 N4 Ni2 O10 -","- C16 H40 N4 Ni2 O10 -","- C64 H160 N16 Ni8 O40 -","4","1","","Margossian, Tigran; Larmier, Kim; Kim, Sung Min; Krumeich, Frank; Fedorov, Alexey; Chen, Peter; Müller, Christoph R; Copéret, Christophe","Molecularly Tailored Nickel Precursor and Support Yield a Stable Methane Dry Reforming Catalyst with Superior Metal Utilization.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b01625","","x-ray","0.71073","MoKα","","0.038","0.0286","","","0.0528","0.0553","","","","","","1.06","","","","has coordinates","196616","2020-10-21","18:00:00",""
"4126026","11.07084","0.0001","12.29131","0.00012","13.30647","0.00014","90","","90","","90","","1810.68","0.03","100.02","0.11","100.02","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O7 -","- C21 H22 O7 -","- C84 H88 O28 -","4","1","","Guo, Yinliang; Quan, Tianfei; Lu, Yandong; Luo, Tuoping","Enantioselective Total Synthesis of (+)-Wortmannin.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b02515","","","1.54184","CuKα","","0.026","0.0259","","","0.0678","0.0679","","","","","","1.04","","","","has coordinates","196634","2020-10-21","18:00:00",""
"4126034","12.249","0.003","17.855","0.004","22.121","0.005","90","","90","","90","","4838","1.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H67 Li N2 O3 S2 -","- C46 H67 Li N2 O3 S2 -","- C184 H268 Li4 N8 O12 S8 -","4","1","","Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Blair, Soshawn A.; Johnson, Michael K.; Schaefer, 3rd, Henry F; Robinson, Gregory H.","A Stable Anionic Dithiolene Radical.","Journal of the American Chemical Society","2017","139","20","6859","6862","10.1021/jacs.7b03794","","","0.71073","MoKα","","0.1605","0.06","","","0.1234","0.163","","","","","","1.003","","","","has coordinates,has disorder","197431","2020-10-21","18:00:00",""
"4126043","13.8067","0.0003","20.7486","0.0005","35.9788","0.0009","90","","90","","90","","10306.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H121.5 Cl3 N15.5 O20.5 S3 -","- C94 H121.5 Cl3 N15.5 O20.5 S3 -","- C376 H486 Cl12 N62 O82 S12 -","4","1","","Teng, Peng; Ma, Ning; Cerrato, Darrell Cole; She, Fengyu; Odom, Timothy; Wang, Xiang; Ming, Li-June; van der Vaart, Arjan; Wojtas, Lukasz; Xu, Hai; Cai, Jianfeng","Right-Handed Helical Foldamers Consisting of De Novo d-AApeptides.","Journal of the American Chemical Society","2017","139","21","7363","7369","10.1021/jacs.7b03007","","","1.54178","CuKα","","0.0525","0.0481","","","0.1341","0.1388","","","","","","1.002","","","","has coordinates,has disorder","197449","2020-10-21","18:00:00",""
"4126076","7.834","","13.872","","14.386","","90","","90","","90","","1563.37","","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 B10 O -","- C10 H20 B10 O -","- C40 H80 B40 O4 -","4","1","","Dziedzic, Rafal Miroslaw; Martin, Joshua L.; Axtell, Jonathan C.; Saleh, Liban M. A.; Ong, Ta-Chung; Yang, Yun-Fang; Messina, Marco S.; Rheingold, Arnold L.; Houk, Kendall N.; Spokoyny, Alexander M.","Cage-walking: Vertex Differentiation by Palladium-Catalyzed Isomerization of B(9)-Bromo-meta-Carborane.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04080","","","1.54184","CuKα","","0.0618","0.0527","","","0.1384","0.1458","","","","","","1.08","","","","has coordinates","197162","2020-10-21","18:00:00",""
"4126104","10.161","0.002","11.489","0.002","30.374","0.006","90","","90","","90","","3545.9","1.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 O7 Si2 -","- C31 H50 O7 Si2 -","- C124 H200 O28 Si8 -","4","1","","Chen, Dezhi; Evans, P. Andrew","A Concise, Efficient and Scalable Total Synthesis of Thapsigargin and Nortrilobolide from (R)-(-)-Carvone.","Journal of the American Chemical Society","2017","139","17","6046","6049","10.1021/jacs.7b01734","","","0.71073","MoKα","","0.054","0.041","","","0.098","0.1056","","","","","","1.03","","","","has coordinates,has disorder","197253","2020-10-21","18:00:00",""
"4126152","10.89189","0.00007","11.24945","0.00008","14.39801","0.00009","90","","90","","90","","1764.16","0.02","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Sanchez-Sanchez, Ana; Rivilla, Ivan; Agirre, Maddalen; Basterretxea, Andere; Etxeberria, Agustin; Veloso, Antonio; Sardon, Haritz; Mecerreyes, David; Cossío, Fernando P","Enantioselective Ring-Opening Polymerization of rac-Lactide Dictated by Densely Substituted Amino Acids.","Journal of the American Chemical Society","2017","139","13","4805","4814","10.1021/jacs.6b13080","","x-ray","1.54184","CuKα","","0.03","0.0298","","","0.077","0.0771","","","","","","1.059","","","","has coordinates","197286","2020-10-21","18:00:00",""
"4126157","5.1711","0.0002","8.6014","0.0002","38.2861","0.0012","90","","90","","90","","1702.92","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F4 N O4 S -","- C16 H17 F4 N O4 S -","- C64 H68 F16 N4 O16 S4 -","4","1","","Zhang, Zhongyin; Wang, Jinxin; Li, Jian; Yang, Fan; Liu, Guodu; Tang, Wenjun; He, Weiwei; Fu, Jian-Jun; Shen, Yun-Heng; Li, Ang; Zhang, Wei-Dong","Total Synthesis and Stereochemical Assignment of Delavatine A: Rh-Catalyzed Asymmetric Hydrogenation of Indene-Type Tetrasubstituted Olefins and Kinetic Resolution through Pd-Catalyzed Triflamide-Directed C-H Olefination.","Journal of the American Chemical Society","2017","139","15","5558","5567","10.1021/jacs.7b01718","","","1.54178","CuKα","","0.0723","0.0712","","","0.1529","0.1549","","","","","","1.054","","","","has coordinates","197290","2020-10-21","18:00:00",""
"4126159","11.5579","0.0003","13.5603","0.0004","14.1952","0.0004","90","","90","","90","","2224.79","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Cl N3 O5 -","- C25 H20 Cl N3 O5 -","- C100 H80 Cl4 N12 O20 -","4","1","","Rombola, Michael; Sumaria, Chintan S.; Montgomery, Thomas D.; Rawal, Viresh H.","Development of Chiral, Bifunctional Thiosquaramides: Enantioselective Michael Additions of Barbituric Acids to Nitroalkenes.","Journal of the American Chemical Society","2017","139","15","5297","5300","10.1021/jacs.7b01115","","","1.54178","CuKα","","0.0235","0.023","","","0.0602","0.0605","","","","","","1.02","","","","has coordinates","197292","2020-10-21","18:00:00",""
"4126162","8.3602","0.0006","20.2111","0.0016","23.8869","0.0017","90","","90","","90","","4036.1","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40.75 H10.75 B Cl2.25 F12 N11 -","- C40.75 H10.75 B Cl2.25 F12 N11 -","- C163 H43 B4 Cl9 F48 N44 -","4","1","","Winterfeld, Kim A.; Lavarda, Giulia; Guilleme, Julia; Sekita, Michael; Guldi, Dirk M.; Torres, Tomás; Bottari, Giovanni","Subphthalocyanines Axially Substituted with a Tetracyanobuta-1,3-diene-Aniline Moiety: Synthesis, Structure, and Physicochemical Properties.","Journal of the American Chemical Society","2017","139","15","5520","5529","10.1021/jacs.7b01460","","","0.71073","MoKα","","0.2302","0.1484","","","0.3648","0.4047","","","","","","1.344","","","","has coordinates","197295","2020-10-21","18:00:00",""
"4126189","6.5876","0.0005","11.5796","0.0009","23.9814","0.0019","90","","90","","90","","1829.3","0.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.","Versatile Construction of 6-Substituted cis-2,8-Dioxabicyclo[3.3.0]octan-3-ones: Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C.","Journal of the American Chemical Society","2017","139","21","7192","7195","10.1021/jacs.7b04265","","","0.71073","MoKα","","0.0343","0.032","","","0.0822","0.084","","","","","","1.034","","","","has coordinates","197311","2020-10-21","18:00:00",""
"4126201","9.333","0.009","11.991","0.007","24.067","0.016","90","","90","","90","","2693","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 Cl N O P Pd -","- C31 H35 Cl N O P Pd -","- C124 H140 Cl4 N4 O4 P4 Pd4 -","4","1","","Lim, Kelvin Meng-Hui; Hayashi, Tamio","Dynamic Kinetic Resolution in Rhodium-Catalyzed Asymmetric Arylation of Phospholene Oxides.","Journal of the American Chemical Society","2017","139","24","8122","8125","10.1021/jacs.7b04570","","","0.71073","MoKα","","0.0767","0.052","","","0.0999","0.1101","","","","","","1.027","","","","has coordinates","199575","2020-10-21","18:00:00",""
"4126208","9.6942","0.0003","10.5648","0.0003","20.0832","0.0006","90","","90","","90","","2056.87","0.11","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl2 N3 O3 -","- C21 H23 Cl2 N3 O3 -","- C84 H92 Cl8 N12 O12 -","4","1","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.076","0.0664","","","0.1133","0.116","","","","","","1.095","","","","has coordinates","200663","2020-10-21","18:00:00",""
"4126225","10.6716","0.00019","11.1383","0.0002","34.5954","0.0006","90","","90","","90","","4112.13","0.13","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C160 H216 N8 O48 -","8","2","","Bartlett, Samuel L.; Sohtome, Yoshihiro; Hashizume, Daisuke; White, Peter S.; Sawamura, Miki; Johnson, Jeffrey S.; Sodeoka, Mikiko","Catalytic Enantioselective [3 + 2] Cycloaddition of α-Keto Ester Enolates and Nitrile Oxides.","Journal of the American Chemical Society","2017","139","25","8661","8666","10.1021/jacs.7b03782","","","1.54184","CuKα","","0.0351","0.0338","","","0.0725","0.073","","","","","","1.087","","","","has coordinates","200670","2020-10-21","18:00:00",""
"4126232","9.1328","0.0005","22.1807","0.0012","26.2782","0.0014","90","","90","","90","","5323.2","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Br N O12 -","- C20 H30 Br N O12 -","- C160 H240 Br8 N8 O96 -","8","2","","Cecioni, Samy; Vocadlo, David J.","Carbohydrate Bis-acetal-Based Substrates as Tunable Fluorescence-Quenched Probes for Monitoring exo-Glycosidase Activity.","Journal of the American Chemical Society","2017","139","25","8392","8395","10.1021/jacs.7b01948","","","1.54178","CuKα","","0.0855","0.08","","","0.2241","0.2309","","","","","","1.147","","","","has coordinates,has disorder","200667","2020-10-21","18:00:00",""
"4126260","9.5341","0.0007","14.1606","0.0011","29.111","0.002","90","","90","","90","","3930.2","0.5","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C51 H46 -","- C51 H46 -","- C204 H184 -","4","1","","Kistemaker, Jos C. M.; Stacko, Peter; Roke, Diederik; Wolters, Alexander Thomas; Heideman, G. Henrieke; Chang, Mu-Chieh; van der Meulen, Pieter; Visser, Johan; Otten, Edwin; Feringa, Ben L.","Third Generation Light-Driven Symmetric Molecular Motors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04412","","","0.71073","MoKα","","0.0976","0.0838","","","0.2264","0.2374","","","","","","1.104","","","","has coordinates","198491","2020-10-21","18:00:00",""
"4126265","11.9612","0.0004","17.6598","0.0008","25.7133","0.0009","90","","90","","90","","5431.5","0.4","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H43 Cl2 Co N3 O2 -","- C50 H43 Cl2 Co N3 O2 -","- C200 H172 Cl8 Co4 N12 O8 -","4","1","","Cheng, Biao; Lu, Peng; Zhang, Heyi; Cheng, Xinpeng; Lu, Zhan","Highly Enantioselective Cobalt-Catalyzed Hydrosilylation of Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04137","","","0.71073","MoKα","","0.0527","0.0439","","","0.1081","0.115","","","","","","1.023","","","","has coordinates","198550","2020-10-21","18:00:00",""
"4126272","13.4056","0.0001","22.4368","0.0002","22.9956","0.0002","90","","90","","90","","6916.59","0.1","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H102 Mg2 N6 O2 -","- C76 H102 Mg2 N6 O2 -","- C304 H408 Mg8 N24 O8 -","4","1","","Anker, Mathew D.; Kefalidis, Christos E.; Yang, Yan; Fang, Jian; Hill, Michael S.; Mahon, Mary F.; Maron, Laurent","Alkaline Earth-centered CO Homologation, Reduction and Amine Carbonylation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b04926","","x-ray","1.54184","CuKα","","0.0308","0.0293","","","0.0753","0.0763","","","","","","1.03","","","","has coordinates","198649","2020-10-21","18:00:00",""
"4126324","5.7041","0.0007","7.4617","0.0009","35.703","0.005","90","","90","","90","","1519.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br F O3 -","- C17 H16 Br F O3 -","- C68 H64 Br4 F4 O12 -","4","1","","van der Mei, Farid W.; Qin, Changming; Morrison, Ryan J.; Hoveyda, Amir H.","Practical, Broadly Applicable, α-Selective, Z-Selective, Diastereoselective, and Enantioselective Addition of Allylboron Compounds to Mono-, Di-, Tri-, and Polyfluoroalkyl Ketones.","Journal of the American Chemical Society","2017","139","26","9053","9065","10.1021/jacs.7b05011","","","0.71073","MoKα","","0.0434","0.0389","","","0.0901","0.0918","","","","","","1.113","","","","has coordinates","199525","2020-10-21","18:00:00",""
"4126329","8.7558","0.0003","11.1462","0.0004","21.2016","0.0007","90","","90","","90","","2069.15","0.12","293","","292.7","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N2 O -","- C27 H23 N O -","- C108 H92 N4 O4 -","4","1","","Li, Zhanyu; Zhao, Jinbo; Sun, Baozhen; Zhou, Tingting; Liu, Mingzhu; Liu, Shuang; Zhang, Mengru; Zhang, Qian","Asymmetric Nitrone Synthesis via Ligand-Enabled Copper-Catalyzed Cope-Type Hydroamination of Cyclopropene with Oxime.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06523","","","1.54178","CuKα","","0.0468","0.043","","","0.1055","0.1094","","","","","","1.067","","","","has coordinates","199858","2020-10-21","18:00:00",""
"4126342","17.671","0.004","24.533","0.005","40.756","0.008","90","","90","","90","","17669","6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H116 Cl3.5 K Na8.5 O120 P2 W18 -","- C48 Cl1.5 K Na O106 P2 W18 -","- C192 Cl6 K4 Na4 O424 P8 W72 -","4","1","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.72925","synchrotron","","0.1414","0.0973","","","0.2362","0.2925","","","","","","1.032","","","","has coordinates","200097","2020-10-21","18:00:00",""
"4126343","17.2589","0.0016","31.374","0.003","41.297","0.003","90","","90","","90","","22362","3","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C96 H206 Cl1.2 Cs Na6.2 O165 P2 W18 -","- C96 Cl Cs Na3 O151 P2 W18 -","- C384 Cl4 Cs4 Na12 O604 P8 W72 -","4","1","","Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel","Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07317","","","0.71073","MoKα","","0.1451","0.1302","","","0.31","0.3181","","","","","","1.109","","","","has coordinates","200098","2020-10-21","18:00:00",""
"4126358","11.3109","0.0002","16.8486","0.0003","21.942","0.0004","90","","90","","90","","4181.55","0.13","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl N3 O3 -","- C21 H30 Cl N3 O3 -","- C168 H240 Cl8 N24 O24 -","8","2","","Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu","α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction.","Journal of the American Chemical Society","2017","139","24","8295","8301","10.1021/jacs.7b03291","","","1.54187","CuKα","","0.0759","0.0661","","","0.1236","0.1309","","","","","","1.067","","","","has coordinates","200237","2020-10-21","18:00:00",""
"4126368","6.0729","0.0003","8.3117","0.0005","30.5846","0.0017","90","","90","","90","","1543.79","0.15","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Bartlett, Samuel L.; Sohtome, Yoshihiro; Hashizume, Daisuke; White, Peter S.; Sawamura, Miki; Johnson, Jeffrey S.; Sodeoka, Mikiko","Catalytic Enantioselective [3 + 2] Cycloaddition of α-Keto Ester Enolates and Nitrile Oxides.","Journal of the American Chemical Society","2017","139","25","8661","8666","10.1021/jacs.7b03782","","","1.54178","CuKα","","0.0323","0.032","","","0.0833","0.0835","","","","","","1.085","","","","has coordinates","200247","2020-10-21","18:00:00",""
"4126386","15.5152","0.0006","21.5636","0.0008","22.0605","0.0007","90","","90","","90","","7380.6","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","mg081","","","- C83 H91 B2 N8 P Th -","- C83 H91 B2 N8 P Th -","- C332 H364 B8 N32 P4 Th4 -","4","1","","Garner, Mary E.; Parker, Bernard F.; Hohloch, Stephan; Bergman, Robert G.; Arnold, John","Thorium Metallacycle Facilitates Catalytic Alkyne Hydrophosphination.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08323","","","0.71073","MoKα","","0.0552","0.0441","","","0.0933","0.0985","","","","","","1.016","","","","has coordinates","200790","2020-10-21","18:00:00",""
"4126409","13.1921","0.001","18.4856","0.0016","20.7607","0.0014","90","","90","","90","","5062.8","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H55 Co N5 O P -","- C64 H55 Co N5 O P -","- C256 H220 Co4 N20 O4 P4 -","4","1","","Tokmic, Kenan; Jackson, Bailey J.; Salazar, Andrea; Woods, Toby J.; Fout, Alison R.","Cobalt-Catalyzed and Lewis Acid-Assisted Nitrile Hydrogenation to Primary Amines: A Combined Effort","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07368","","","0.71073","MoKα","","0.0924","0.0539","","","0.1011","0.1164","","","","","","1.013","","","","has coordinates","200901","2020-10-21","18:00:00",""
"4126426","5.00279","0.0001","16.5993","0.0002","24.777","0.0003","90","","90","","90","","2057.55","0.05","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H14 B F5 N2 O2 -","- C26 H14 B F5 N2 O2 -","- C104 H56 B4 F20 N8 O8 -","4","1","","Li, Tian-Yi; Meyer, Toni; Ma, Zaifei; Benduhn, Johannes; Koerner, Christian; Zeika, Olaf; Vandewal, Koen; Leo, Karl","Small Molecule Near-Infrared BODIPY Donors for Organic Tandem Solar Cells.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07887","","x-ray","1.54184","CuKα","","0.0321","0.0307","","","0.079","0.0805","","","","","","1.032","","","","has coordinates","201084","2020-10-21","18:00:00",""
"4126444","6.7894","0.0002","9.3371","0.0003","22.2331","0.0008","90","","90","","90","","1409.43","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Liu, Qi; Deng, Yifan; Smith, 3rd, Amos B","Total Synthesis of (-)-Nahuoic Acid Ci (Bii).","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08683","","","1.54178","CuKα","","0.0279","0.0255","","","0.0632","0.064","","","","","","1.026","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4126446","14.788","0.003","18.134","0.004","28.447","0.006","90","","90","","90","","7629","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40.4 H44.8 Au1.1 Cl1.9 Fe P2 -","- C40.4 H44.8 Au1.1 Cl1.9 Fe P2 -","- C323.2 H358.4 Au8.8 Cl15.2 Fe8 P16 -","8","2","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.7107","MoKα","","0.0959","0.0511","","","0.0781","0.1","","","","","","1.151","","","","has coordinates,has disorder","201226","2020-10-21","18:00:00",""
"4126447","8.6631","0.0002","11.5159","0.0003","33.5456","0.0009","90","","90","","90","","3346.62","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H80 Au4 Cl4 Fe2 P4 -","- C64 H80 Au4 Cl4 Fe2 P4 -","- C128 H160 Au8 Cl8 Fe4 P8 -","2","0.5","","García-Morales, Cristina; Ranieri, Beatrice; Escofet, Imma; López-Suarez, Laura; Obradors, Carla; Konovalov, Andrey I.; Echavarren, Antonio M.","Enantioselective Synthesis of Cyclobutenes by Intermolecular [2+2] Cycloaddition with Non-C2 Symmetric Digold Catalysts.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07651","","","0.71073","MoKα","","0.026","0.0237","","","0.0476","0.0536","","","","","","1.084","","","","has coordinates","201227","2020-10-21","18:00:00",""
"4126467","8.2736","0.0004","10.1225","0.0004","17.1621","0.0007","90","","90","","90","","1437.32","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Liniger, Marc; Liu, Yiyang; Stoltz, Brian M.","Sequential Ruthenium Catalysis for Olefin Isomerization and Oxidation: Application to the Synthesis of Unusual Amino Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08496","","","1.54178","CuKα","","0.0316","0.0295","","","0.0705","0.0719","","","","","","1.091","","","","has coordinates","201265","2020-10-21","18:00:00",""
"4126475","6.836","0.002","11.5511","0.0009","15.3107","0.0009","90","","90","","90","","1209","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2-(4-bromophenyl)-4,5-dimethyl-3,6-dihydro-2H-pyran","","- C13 H15 Br O -","- C13 H15 Br O -","- C52 H60 Br4 O4 -","4","1","","Liu, Luping; Kim, Hyejin; Xie, Youwei; Farès, Christophe; Kaib, Philip S. J.; Goddard, Richard; List, Benjamin","Catalytic Asymmetric [4+2]-Cycloaddition of Dienes with Aldehydes","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08357","","","0.71073","MoKα","","0.022","0.0203","","","0.0521","0.053","","","","","","1.109","","","","has coordinates","201273","2020-10-21","18:00:00",""
"4126494","10.4713","0.0001","18.766","0.0002","21.9729","0.0002","90","","90","","90","","4317.77","0.07","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H63 As5 Zr2 -","- C39 H63 As5 Zr2 -","- C156 H252 As20 Zr8 -","4","1","","Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred","Transfer Reagent for Bonding Isomers of Iron Complexes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07354","","x-ray","1.54178","CuKα","","0.0221","0.0204","","","0.0462","0.0466","","","","","","0.99","","","","has coordinates","201459","2020-10-21","18:00:00",""
"4126506","6.5617","0.0001","7.0318","0.0001","24.2004","0.0005","90","","90","","90","","1116.62","0.03","100","","100.03","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O -","- C14 H15 N O -","- C56 H60 N4 O4 -","4","1","","Farndon, Joshua J.; Ma, Xiaofeng; Bower, John F.","Transition Metal Free C-N Bond Forming Dearomatizations and Aryl C-H Aminations by in Situ Release of a Hydroxylamine-Based Aminating Agent.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07830","","","0.71073","MoKα","","0.036","0.0348","","","0.0915","0.0925","","","","","","1.08","","","","has coordinates","201467","2020-10-21","18:00:00",""
"4126523","13.64428","0.00009","14.83342","0.0001","31.5549","0.0002","90","","90","","90","","6386.44","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H90 Ga2 N4 P4.23 -","- C65 H90 Ga2 N4 P4.234 -","- C260 H360 Ga8 N16 P16.936 -","4","1","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","1.54184","CuKα","","0.032","0.0319","","","0.0779","0.078","","","","","","1.091","","","","has coordinates,has disorder","201614","2020-10-21","18:00:00",""
"4126570","5.7623","0.0002","7.1924","0.0003","27.539","0.0011","90","","90","","90","","1141.35","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Cl O -","- C14 H13 Cl O -","- C56 H52 Cl4 O4 -","4","1","","Line, Nathan J.; Witherspoon, Brittany P.; Hancock, Erin N.; Brown, M. Kevin","Synthesis of ent-[3]-Ladderanol: Development and Application of Intramolecular Chirality Transfer [2+2] Cycloadditions of Allenic Ketones and Alkenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09844","","","0.71073","MoKα","","0.0317","0.0293","","","0.0768","0.0783","","","","","","1.067","","","","has coordinates","201853","2020-10-21","18:00:00",""
"4126577","10.3068","0.0002","14.5755","0.0003","15.4152","0.0003","90","","90","","90","","2315.78","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O2 S -","- C28 H29 N O2 S -","- C112 H116 N4 O8 S4 -","4","1","","Li, Miao-Miao; Wei, Yi; Liu, Jie; Chen, Hong-Wei; Lu, Liang-Qiu; Xiao, Wen-Jing","Sequential Visible-Light Photoactivation and Palladium Catalysis Enabling Enantioselective [4+2] Cycloadditions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08310","","","1.54178","CuKα","","0.0281","0.0272","","","0.0759","0.0878","","","","","","1.191","","","","has coordinates","201921","2020-10-21","18:00:00",""
"4126578","10.0178","0.0003","12.0591","0.0003","32.58","0.0008","90","","90","","90","","3935.85","0.18","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C168 H184 N8 O24 S8 -","8","2","","Li, Miao-Miao; Wei, Yi; Liu, Jie; Chen, Hong-Wei; Lu, Liang-Qiu; Xiao, Wen-Jing","Sequential Visible-Light Photoactivation and Palladium Catalysis Enabling Enantioselective [4+2] Cycloadditions.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b08310","","","1.54178","CuKα","","0.0454","0.0439","","","0.117","0.1188","","","","","","1.085","","","","has coordinates,has disorder","201922","2020-10-21","18:00:00",""
"4126585","10.9748","0.0008","12.0537","0.0008","17.2557","0.0012","90","","90","","90","","2282.7","0.3","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O4 -","- C25 H34 O4 -","- C100 H136 O16 -","4","1","","Kim, Byoungmoo; Storch, Golo; Banerjee, Gourab; Mercado, Brandon Q.; Castillo-Lora, Janelle; Brudvig, Gary W.; Mayer, James M.; Miller, Scott J.","Stereodynamic Quinone-Hydroquinone Molecules That Enantiomerize at sp(3)-Carbon via Redox-Interconversion.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09176","","","1.54178","CuKα","","0.0283","0.026","","","0.0627","0.0637","","","","","","1.057","","","","has coordinates","201947","2020-10-21","18:00:00",""
"4126587","10.03354","0.00009","17.17472","0.00017","25.8767","0.0002","90","","90","","90","","4459.16","0.07","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 F12 N10 O6 P2 Ru -","- C38 H40 F12 N10 O6 P2 Ru -","- C152 H160 F48 N40 O24 P8 Ru4 -","4","1","","Li, Guocan; Swords, Wesley B.; Meyer, Gerald J.","Bromide Photo-oxidation Sensitized to Visible Light in Consecutive Ion Pairs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b06735","","","1.54178","CuKα","","0.0318","0.0307","","","0.0762","0.0768","","","","","","1.1","","","","has coordinates","201949","2020-10-21","18:00:00",""
"4126588","8.3418","0.0002","11.7784","0.0003","20.0842","0.0004","90","","90","","90","","1973.33","0.08","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O3 Si -","- C21 H26 O3 Si -","- C84 H104 O12 Si4 -","4","1","","Burrows, Lauren C.; Jesikiewicz, Luke T.; Lu, Gang; Geib, Steven J.; Liu, Peng; Brummond, Kay M.","Computationally Guided Catalyst Design in the Type I Dynamic Kinetic Asymmetric Pauson‒Khand Reaction of Allenyl Acetates","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07121","","","1.54178","CuKα","","0.0253","0.0248","","","0.0767","0.0774","","","","","","1.034","","","","has coordinates","201950","2020-10-21","18:00:00",""
"4126596","5.597","0.0001","8.462","0.0002","34.1983","0.0007","90","","90","","90","","1619.69","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cp157","","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Petermayer, Christian; Thumser, Stefan; Kink, Florian; Mayer, Peter; Dube, Henry","Hemiindigo - Highly Bistable Photoswitching at the Biooptical Window.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07531","","","0.71073","MoKα","","0.0391","0.0366","","","0.0934","0.0953","","","","","","1.066","","","","has coordinates","202002","2020-10-21","18:00:00",""
"4126607","13.87209","0.00018","14.5091","0.0002","24.6499","0.0003","90","","90","","90","","4961.32","0.11","150","0.1","150","0.1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C232 H224 N16 O24 S8 -","8","2","","Del Pozo, Sandra; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio","Catalytic Asymmetric Synthesis of Quaternary Barbituric Acids.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09124","","x-ray","1.54184","CuKα","","0.0709","0.0573","","","0.1375","0.1457","","","","","","1.054","","","","has coordinates","202127","2020-10-21","18:00:00",""
"4126628","14.7304","0.0004","18.4422","0.0005","21.3432","0.0006","90","","90","","90","","5798.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H64 N2 O9 S2 -","- C68 H64 N2 O9 S2 -","- C272 H256 N8 O36 S8 -","4","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","1.54178","CuKα","","0.0497","0.0477","","","0.1237","0.1249","","","","","","1.125","","","","has coordinates,has disorder","202274","2020-10-21","18:00:00",""
"4126629","9.7883","0.0011","10.7643","0.0011","27.458","0.003","90","","90","","90","","2893.1","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 Cl N O4 S -","- C36 H28 Cl N O4 S -","- C144 H112 Cl4 N4 O16 S4 -","4","1","","Rong, Zi-Qiang; Yang, Li-Cheng; Liu, Song; Yu, Zhaoyuan; Wang, Ya-Nong; Tan, Zher Yin; Huang, Rui-Zhi; Lan, Yu; Zhao, Yu","Nine-Membered Benzofuran-Fused Heterocycles: Enantioselective Synthesis by Pd-Catalysis and Rearrangement via Transannular Bond Formation.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09161","","","0.71073","MoKα","","0.0776","0.0481","","","0.0822","0.0902","","","","","","1.025","","","","has coordinates","202275","2020-10-21","18:00:00",""
"4126665","12.0669","0.0015","17.883","0.002","26.759","0.003","90","","90","","90","","5774.4","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C94 H36 N2 O S4 -","- C94 H36 N2 O S4 -","- C376 H144 N8 O4 S16 -","4","1","","Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro","Palladium-Catalyzed Cyclization: Regioselectivity and Structure of Arene-Fused C60 Derivatives.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09459","","","0.71073","MoKα","","0.1131","0.06","","","0.149","0.1911","","","","","","1.064","","","","has coordinates","202485","2020-10-21","18:00:00",""
"4126711","10.858","0.002","12.219","0.002","35.608","0.007","90","","90","","90","","4724.3","1.5","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","{(Boryl)SmCl2(THF)2LiCl(THF)2}","","","- C42 H68 B Cl3 Li N2 O4 Sm -","- C42 H68 B Cl3 Li N2 O4 Sm -","- C168 H272 B4 Cl12 Li4 N8 O16 Sm4 -","4","1","","Wang, Baoli; Luo, Gen; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Cooperative Trimerization of Carbon Monoxide by Lithium and Samarium Boryls.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10108","","","0.71073","MoKα","","0.0476","0.0362","","","0.0708","0.0743","","","","","","1.077","","","","has coordinates,has disorder","203008","2020-10-21","18:00:00",""
"4126712","10.858","0.004","12.779","0.005","35.995","0.011","90","","90","","90","","4994","3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","{(Boryl)Sm[C(O)]Cl2(THF)2LiCl(THF)2}","","","- C43 H68 B Cl3 Li N2 O5 Sm -","- C43 H68 B Cl3 Li N2 O5 Sm -","- C172 H272 B4 Cl12 Li4 N8 O20 Sm4 -","4","1","","Wang, Baoli; Luo, Gen; Nishiura, Masayoshi; Luo, Yi; Hou, Zhaomin","Cooperative Trimerization of Carbon Monoxide by Lithium and Samarium Boryls.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10108","","","0.71073","MoKα","","0.032","0.0308","","","0.0778","0.0783","","","","","","1.155","","","","has coordinates,has disorder","203008","2020-10-21","18:00:00",""
"4126737","6.9131","0.0002","11.8205","0.0004","16.9278","0.0006","90","","90","","90","","1383.28","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.0297","0.029","","","0.0761","0.0767","","","","","","1.028","","","","has coordinates","203186","2020-10-21","18:00:00",""
"4126738","9.1529","0.0003","11.1691","0.0004","12.8208","0.0005","90","","90","","90","","1310.67","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Zhu, Chendan; Wang, Dingyi; Zhao, Yue; Sun, Wei-Yin; Shi, Zhuangzhi","Enantioselective Palladium-Catalyzed Intramolecular α-Arylative Desymmetrization of 1,3-Diketones.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10365","","","1.54178","CuKα","","0.0297","0.0293","","","0.0792","0.0796","","","","","","1.096","","","","has coordinates","203187","2020-10-21","18:00:00",""
"4126757","6.3997","0.0003","13.7476","0.0006","26.6892","0.0011","90","","90","","90","","2348.13","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 F2 S4 -","- C28 H20 F2 S4 -","- C112 H80 F8 S16 -","4","1","","Wang, Ming; Ford, Michael J.; Zhou, Cheng; Seifrid, Martin; Nguyen, Thuc-Quyen; Bazan, Guillermo C.","Linear Conjugated Polymer Backbones Improve Alignment in Nanogroove-Assisted Organic Field-Effect Transistors.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10332","","","0.71073","MoKα","","0.0345","0.0316","","","0.0789","0.0805","","","","","","1.045","","","","has coordinates","203425","2020-10-21","18:00:00",""
"4126763","10.9844","0.001","16.4651","0.0016","25.451","0.003","90","","90","","90","","4603","0.8","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H49 Co O0.5 P2 -","- C54 H49 Co O0.5 P2 -","- C216 H196 Co4 O2 P8 -","4","1","","Jing, Stanley M.; Balasanthiran, Vagulejan; Pagar, Vinayak; Gallucci, Judith C.; RajanBabu, T. V.","Catalytic Enantioselective Hetero-dimerization of Acrylates and 1,3-Dienes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10055","","x-ray","0.71073","MoKα","","0.0639","0.0488","","","0.1361","0.147","","","","","","1.032","","","","has coordinates,has disorder","203511","2020-10-21","18:00:00",""
"4126764","19.1093","0.0005","21.7148","0.0006","23.9709","0.0006","90","","90","","90","","9946.8","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H102 Br2 Co2 O3 P6 -","- C93 H102 Br2 Co2 O3 P6 -","- C372 H408 Br8 Co8 O12 P24 -","4","1","","Jing, Stanley M.; Balasanthiran, Vagulejan; Pagar, Vinayak; Gallucci, Judith C.; RajanBabu, T. V.","Catalytic Enantioselective Hetero-dimerization of Acrylates and 1,3-Dienes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10055","","x-ray","0.71073","MoKα","","0.0615","0.0391","","","0.0828","0.0897","","","","","","1.005","","","","has coordinates","203512","2020-10-21","18:00:00",""
"4126766","7.1443","0.0003","12.9075","0.0005","14.265","0.0006","90","","90","","90","","1315.45","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","MLC-VI-120","maimone98","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Condakes, Matthew L.; Hung, Kevin; Harwood, Stephen; Maimone, Thomas J.","Total Syntheses of (-)-Majucin and (-)-Jiadifenoxolane A, Complex Majucin-Type Illicium Sesquiterpenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11493","","","1.54178","CuKα","","0.03","0.0295","","","0.0762","0.0767","","","","","","1.064","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4126767","6.9941","0.0003","12.1369","0.0006","16.1722","0.0008","90","","90","","90","","1372.8","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_LIT2_majucin","","","- C15 H20 O8 -","- C15 H20 O8 -","- C60 H80 O32 -","4","1","","Condakes, Matthew L.; Hung, Kevin; Harwood, Stephen; Maimone, Thomas J.","Total Syntheses of (-)-Majucin and (-)-Jiadifenoxolane A, Complex Majucin-Type Illicium Sesquiterpenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11493","","","0.71073","MoKα","","0.031","0.03","","","0.0755","0.0761","","","","","","1.053","","","","has coordinates","203593","2020-10-21","18:00:00",""
"4126768","8.8553","0.0009","8.9979","0.0009","17.3614","0.0018","90","","90","","90","","1383.3","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mc002","","","- C15 H20 O6 -","- C15 H20 O6 -","- C60 H80 O24 -","4","1","","Condakes, Matthew L.; Hung, Kevin; Harwood, Stephen; Maimone, Thomas J.","Total Syntheses of (-)-Majucin and (-)-Jiadifenoxolane A, Complex Majucin-Type Illicium Sesquiterpenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11493","","","0.71073","MoKα","","0.0319","0.0306","","","0.0812","0.0822","","","","","","1.046","","","","has coordinates","203594","2020-10-21","18:00:00",""
"4126776","11.3931","0.0002","11.4712","0.0002","11.9193","0.0002","90","","90","","90","","1557.76","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C76 H92 N4 O12 -","4","1","","Shi, Heyao; Michaelides, Iacovos N.; Darses, Benjamin; Jakubec, Pavol; Nguyen, Quynh Nhu N.; Paton, Robert S.; Dixon, Darren J.","Total Synthesis of (-)-Himalensine A.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10956","","","1.54184","CuKα","","0.0382","0.0377","","0.1011","0.1002","0.1011","","","","","","0.9677","","","","has coordinates","203728","2020-10-21","18:00:00",""
"4126908","10.2603","0.0003","19.3424","0.0005","33.2993","0.0011","90","","90","","90","","6608.5","0.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H56 Fe I O P3 Ru -","- C73 H55 Fe I O P3 Ru -","- C292 H220 Fe4 I4 O4 P12 Ru4 -","4","1","","Gallardo-Donaire, Joan; Hermsen, Marko; Wysocki, Jedrzej; Ernst, Martin; Rominger, Frank; Trapp, Oliver; Hashmi, A Stephen K; Schaefer, Ansgar; Comba, Peter; Schaub, Thomas","Direct Asymmetric Ruthenium-Catalyzed Reductive Amination of Alkyl-Aryl Ketones with Ammonia and Hydrogen.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10496","","","0.71073","MoKα","","0.0738","0.0525","","","0.098","0.1051","","","","","","0.988","","","","has coordinates","204520","2020-10-21","18:00:00",""
"4126935","12.3445","0.001","20.641","0.0015","23.2546","0.0018","90","","90","","90","","5925.3","0.8","133","","133","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C66 H84 O10 -","- C66 H84 O10 -","- C264 H336 O40 -","4","1","","Guo, Minjie; Wang, Xuemei; Zhan, Caihong; Demay-Drouhard, Paul; Li, Wenjiao; Du, Ke; Olson, Mark A.; Zuilhof, Han; Sue, Andrew C.-H.","Rim-Differentiated C5-Symmetric Tiara-Pillar[5]arenes.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10767","","","0.71073","MoKα","","0.0662","0.0466","","","0.1113","0.12","","","","","","1.021","","","","has coordinates,has disorder","204624","2020-10-21","18:00:00",""
"4126955","9.2189","0.0002","10.5914","0.0003","22.0654","0.0006","90","","90","","90","","2154.49","0.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","JLH-1-029","JLH-1-029","","- C23 H20 Cl2 N2 Ni O2 -","- C23 H20 Cl2 N2 Ni O2 -","- C92 H80 Cl8 N8 Ni4 O8 -","4","1","","Hofstra, Julie L.; Cherney, Alan H.; Ordner, Ciara M.; Reisman, Sarah E.","Synthesis of Enantioenriched Allylic Silanes via Nickel-Catalyzed Reductive Cross-Coupling.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11707","","","0.71073","MoKα","","0.0985","0.0474","","","0.0701","0.0785","","","","","","1.042","","","","has coordinates","204643","2020-10-21","18:00:00",""
"4126957","6.408","0.0003","12.5679","0.0005","30.4781","0.0013","90","","90","","90","","2454.56","0.18","270","","270","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","JLH-4-295","JLH-4-295","","- C24 H33 B O2 Si -","- C24 H33 B O2 Si -","- C96 H132 B4 O8 Si4 -","4","1","","Hofstra, Julie L.; Cherney, Alan H.; Ordner, Ciara M.; Reisman, Sarah E.","Synthesis of Enantioenriched Allylic Silanes via Nickel-Catalyzed Reductive Cross-Coupling.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b11707","","","0.71073","MoKα","","0.1483","0.0626","","","0.1005","0.1207","","","","","","1.037","","","","has coordinates,has disorder","204645","2020-10-21","18:00:00",""
"4127005","9.58533","0.00017","13.1682","0.0002","19.2463","0.0003","90","","90","","90","","2429.3","0.07","175","","175","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 B N O4 P -","- C24 H31 B N O4 P -","- C96 H124 B4 N4 O16 P4 -","4","1","","Arribat, Mathieu; Rémond, Emmanuelle; Clément, Sébastien; Lee, Arie Van Der; Cavelier, Florine","Phospholyl(borane) amino acids and peptides: Stereoselective synthesis and fluorescent properties with large Stokes shift.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b10954","","","1.54184","CuKα","","0.0581","0.0552","","0.0651","0.0609","0.0609","","","","","","1.0402","","","","has coordinates","205000","2020-10-21","18:00:00",""
"4127032","9.3913","0.0005","9.8798","0.0005","12.6597","0.0006","90","","90","","90","","1174.62","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Zwick, Christian R.; Renata, Hans","Remote C-H Hydroxylation by an α-Ketoglutarate-Dependent Dioxygenase Enables Efficient Chemoenzymatic Synthesis of Manzacidin C and Proline Analogs.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b12918","","x-ray","1.54178","CuKα","K-L~3~","0.0269","0.0268","","","0.0674","0.0674","","","","","","1.099","","","","has coordinates","205270","2020-10-21","18:00:00",""
"4127051","6.3339","0.0005","8.7346","0.0007","31.364","0.003","90","","90","","90","","1735.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O S -","- C20 H20 N2 O S -","- C80 H80 N8 O4 S4 -","4","1","","Jiang, Xingyu; Boehm, Philip; Hartwig, John F.","Stereodivergent Allylation of Azaaryl Acetamides and Acetates by Synergistic Iridium and Copper Catalysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12824","","x-ray","0.71073","MoKα","","0.0261","0.0256","","","0.0707","0.0711","","","","","","1.128","","","","has coordinates","205383","2020-10-21","18:00:00",""
"4127057","7.3033","0.0006","7.3319","0.0005","33.937","0.003","90","","90","","90","","1817.2","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O2 -","- C19 H21 Cl N2 O2 -","- C76 H84 Cl4 N8 O8 -","4","1","","Wei, Liang; Zhu, Qiao; Xu, Shi-Ming; Chang, Xin; Wang, Chun-Jiang","Stereodivergent Synthesis of α,α-Disubstituted α-Amino Acids via Synergistic Cu/Ir Catalysis.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12174","","","0.71073","MoKα","","0.0506","0.0395","","","0.0892","0.0948","","","","","","1.053","","","","has coordinates","205452","2020-10-21","18:00:00",""
"4127074","11.0709","0.0013","17.884","0.002","23.464","0.003","90","","90","","90","","4645.7","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H58 Cl2 N4 Ru -","- C54 H58 Cl2 N4 Ru -","- C216 H232 Cl8 N16 Ru4 -","4","1","","Higman, Carolyn S.; do Nascimento, Daniel Luis; Ireland, Benjamin J.; Audörsch, Stephan; Bailey, Gwendolyn A.; McDonald, Robert; Fogg, Deryn Elizabeth","Chelate-Assisted Ring-Closing Metathesis: A Strategy for Accelerated Macrocyclization at Ambient Temperatures.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13257","","","0.71073","MoKα","","0.0772","0.0587","","","0.1477","0.1597","","","","","","1.084","","","","has coordinates,has disorder","205579","2020-10-21","18:00:00",""
"4127076","11.6781","0.0004","13.5026","0.0004","15.291","0.0005","90","","90","","90","","2411.16","0.13","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br Cl F3 N O3 -","- C24 H24 Br Cl F3 N O3 -","- C96 H96 Br4 Cl4 F12 N4 O12 -","4","1","","Xu, Shan; Zhang, Zhan-Ming; Xu, Bing; Liu, Bing; Liu, Yuanyuan; Zhang, Junliang","Enantioselective Regiodivergent Synthesis of Chiral Pyrrolidines with Two Quaternary Stereocenters via Ligand-Controlled Cop-per(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloadditions.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12137","","","0.71073","MoKα","","0.0477","0.0329","","","0.0728","0.0793","","","","","","1.018","","","","has coordinates","205581","2020-10-21","18:00:00",""
"4127087","6.6513","0.0004","9.3115","0.0005","24.8763","0.0013","90","","90","","90","","1540.68","0.15","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C76 H96 O8 -","- C76 H96 O8 -","- C76 H96 O8 -","1","0.25","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0271","0.0265","","","0.0676","0.0684","","","","","","1.055","","","","has coordinates","205651","2020-10-21","18:00:00",""
"4127088","7.3044","0.0003","8.2583","0.0003","17.9776","0.0007","90","","90","","90","","1084.44","0.07","100","2","99.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 O8 -","- C56 H56 O8 -","- C56 H56 O8 -","1","0.25","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0231","0.023","","","0.0586","0.0586","","","","","","1.061","","","","has coordinates","205652","2020-10-21","18:00:00",""
"4127092","6.9791","0.0004","10.6982","0.0006","17.2052","0.0009","90","","90","","90","","1284.61","0.12","100","2","99.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C64 H72 O8 -","- C64 H72 O8 -","- C64 H72 O8 -","1","0.25","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54184","CuKα","","0.0387","0.0302","","","0.0629","0.0653","","","","","","0.98","","","","has coordinates","205656","2020-10-21","18:00:00",""
"4127093","5.7746","0.0004","10.8182","0.0007","20.824","0.0013","90","","90","","90","","1300.89","0.15","100","2","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Robinson, Emily E.; Thomson, Regan J.","A Strategy for the Convergent and Stereoselective Assembly of Polycyclic Molecules.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13234","","","1.54178","CuKα","","0.0254","0.0253","","","0.0647","0.0648","","","","","","1.058","","","","has coordinates","205657","2020-10-21","18:00:00",""
"4127139","7.2745","0.0015","10.702","0.002","23.579","0.005","90","","90","","90","","1835.7","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl F3 N2 O -","- C21 H16 Cl F3 N2 O -","- C84 H64 Cl4 F12 N8 O4 -","4","1","","Uraguchi, Daisuke; Sasaki, Hitoshi; Kimura, Yuto; Ito, Takaki; Ooi, Takashi","Molecular Design, Synthesis, and Asymmetric Catalysis of a Hexacoordinated Chiral Phosphate Ion.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b13433","","","0.71075","MoKα","","0.0425","0.0343","","","0.0772","0.0797","","","","","","0.968","","","","has coordinates","206200","2020-10-21","18:00:00",""
"4127187","12.2396","0.0006","12.5554","0.0006","25.4446","0.0012","90","","90","","90","","3910.1","0.3","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 Cl2 N O2 P Pd S -","- C42 H48 Cl2 N O2 P Pd S -","- C168 H192 Cl8 N4 O8 P4 Pd4 S4 -","4","1","","Wang, Lei; Chen, Mingjie; Zhang, Peichao; Li, Wenbo; Zhang, Junliang","Palladium/PC-Phos-Catalyzed Enantioselective Arylation of General Sulfenate Anions: Scope and Synthetic Applications.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.8b00178","","","0.71073","MoKα","","0.0369","0.0301","","","0.0631","0.0671","","","","","","1.074","","","","has coordinates","206559","2020-10-21","18:00:00",""
"4127210","11.7197","0.001","14.6076","0.0015","23.389","0.003","90","","90","","90","","4004.1","0.7","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H50 Cl F4 N4 O P -","- C42 H50 Cl F4 N4 O P -","- C168 H200 Cl4 F16 N16 O4 P4 -","4","1","","Uraguchi, Daisuke; Yamada, Kohei; Sato, Makoto; Ooi, Takashi","Catalyst-Directed Guidance of Sulfur-Substituted Enediolates to Stereoselective Carbon-Carbon Bond Formation with Aldehydes.","Journal of the American Chemical Society","2018","","","","","10.1021/jacs.7b12949","","","0.71075","MoKα","","0.0289","0.0263","","","0.0665","0.0686","","","","","","1.08","","","","has coordinates","206930","2020-10-21","18:00:00",""
"4127222","9.1723","0.0006","13.1708","0.0009","20.2598","0.0014","90","","90","","90","","2447.5","0.3","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 O8 -","- C25 H40 O8 -","- C100 H160 O32 -","4","1","","Turlik, Aneta; Chen, Yifeng; Scruse, Anthony C.; Newhouse, Timothy R.","Convergent Total Synthesis of Principinol D, a Rearranged Kaurane Diterpenoid.","Journal of the American Chemical Society","2019","141","20","8088","8092","10.1021/jacs.9b03751","","","1.54178","CuKα","","0.028","0.0253","","","0.0654","0.0665","","","","","","1.054","","","","has coordinates","223188","2020-10-21","18:00:00",""
"4127265","7.6915","0.0003","13.4945","0.0006","16.2687","0.0007","90","","90","","90","","1688.58","0.12","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O8 S -","- C14 H18 N2 O8 S -","- C56 H72 N8 O32 S4 -","4","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","","1.54178","CuKα","","0.0469","0.045","","","0.1146","0.1211","","","","","","1.125","","","","has coordinates","223208","2020-10-21","18:00:00",""
"4127268","6.1765","0.0001","9.2268","0.0001","24.6586","0.0002","90","","90","","90","","1405.28","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 N O3 S -","- C13 H21 N O3 S -","- C52 H84 N4 O12 S4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-Type Alkaloids: Total Syntheses of (-)-Daphlongamine H and (-)-Isodaphlongamine H.","Journal of the American Chemical Society","2019","141","21","8431","8435","10.1021/jacs.9b03576","","","1.54184","CuKα","","0.0249","0.0249","","","0.066","0.066","","","","","","1.047","","","","has coordinates","223207","2020-10-21","18:00:00",""
"4127279","11.443","0.0004","14.658","0.0004","16.1254","0.0005","90","","90","","90","","2704.74","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 N2 O3 S -","- C29 H34 N2 O3 S -","- C116 H136 N8 O12 S4 -","4","1","","Devannah, Vijayarajan; Sharma, Rajgopal; Watson, Donald A.","Nickel-Catalyzed Asymmetric C-Alkylation of Nitroalkanes: Synthesis of Enantioenriched β-Nitroamides.","Journal of the American Chemical Society","2019","141","21","8436","8440","10.1021/jacs.9b04175","","","1.54178","CuKα","","0.0744","0.0647","","","0.1775","0.1898","","","","","","1.181","","","","has coordinates","223212","2020-10-21","18:00:00",""
"4127280","9.7516","0.0003","13.2713","0.0004","15.4202","0.0005","90","","90","","90","","1995.63","0.11","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Devannah, Vijayarajan; Sharma, Rajgopal; Watson, Donald A.","Nickel-Catalyzed Asymmetric C-Alkylation of Nitroalkanes: Synthesis of Enantioenriched β-Nitroamides.","Journal of the American Chemical Society","2019","141","21","8436","8440","10.1021/jacs.9b04175","","","1.54178","CuKα","","0.0431","0.0415","","","0.1138","0.1145","","","","","","1.02","","","","has coordinates","223212","2020-10-21","18:00:00",""
"4127281","9.4957","0.0003","12.3869","0.0004","12.5187","0.0004","90","","90","","90","","1472.48","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Devannah, Vijayarajan; Sharma, Rajgopal; Watson, Donald A.","Nickel-Catalyzed Asymmetric C-Alkylation of Nitroalkanes: Synthesis of Enantioenriched β-Nitroamides.","Journal of the American Chemical Society","2019","141","21","8436","8440","10.1021/jacs.9b04175","","","1.54178","CuKα","","0.0297","0.0293","","","0.079","0.0796","","","","","","1.071","","","","has coordinates","223212","2020-10-21","18:00:00",""
"4127292","31.1081","0.0006","34.5316","0.0005","35.206","0.0006","90","","90","","90","","37818.7","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C252 H312 Ag42 F18 O24 S28 -","- C252 H312 Ag42 F18 O24 S28 -","- C1008 H1248 Ag168 F72 O96 S112 -","4","1","","Wang, Zhi; Liu, Jia-Wei; Su, Hai-Feng; Zhao, Quan-Qin; Kurmoo, Mohamedally; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Chalcogens-Induced Ag<sub>6</sub>Z<sub>4</sub>@Ag<sub>36</sub> (Z = S or Se) Core-Shell Nanoclusters: Enlarged Tetrahedral Core and Homochiral Crystallization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09460","","x-ray","1.54184","CuKα","","0.1602","0.105","","","0.2779","0.3333","","","","","","0.98","","","","has coordinates","219563","2020-10-21","18:00:00",""
"4127293","30.9371","0.0003","34.2544","0.0004","35.0758","0.0003","90","","90","","90","","37170.9","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C252 H312 Ag42 F18 O24 S28 -","- C252 H312 Ag42 F18 O24 S28 -","- C1008 H1248 Ag168 F72 O96 S112 -","4","1","","Wang, Zhi; Liu, Jia-Wei; Su, Hai-Feng; Zhao, Quan-Qin; Kurmoo, Mohamedally; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Chalcogens-Induced Ag<sub>6</sub>Z<sub>4</sub>@Ag<sub>36</sub> (Z = S or Se) Core-Shell Nanoclusters: Enlarged Tetrahedral Core and Homochiral Crystallization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09460","","x-ray","1.54184","CuKα","","0.1325","0.1129","","","0.306","0.3446","","","","","","1.287","","","","has coordinates","219563","2020-10-21","18:00:00",""
"4127294","31.1298","0.0006","35.2224","0.0004","33.9869","0.0004","90","","90","","90","","37265.5","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C252 H312 Ag42 F18 O24 S24 Se4 -","- C252 H312 Ag42 F18 O24 S24 Se4 -","- C1008 H1248 Ag168 F72 O96 S96 Se16 -","4","1","","Wang, Zhi; Liu, Jia-Wei; Su, Hai-Feng; Zhao, Quan-Qin; Kurmoo, Mohamedally; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Chalcogens-Induced Ag<sub>6</sub>Z<sub>4</sub>@Ag<sub>36</sub> (Z = S or Se) Core-Shell Nanoclusters: Enlarged Tetrahedral Core and Homochiral Crystallization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09460","","x-ray","1.54184","CuKα","","0.1151","0.0947","","","0.25","0.2711","","","","","","1.035","","","","has coordinates","219563","2020-10-21","18:00:00",""
"4127295","30.9548","0.0006","33.9141","0.0005","35.3758","0.0006","90","","90","","90","","37137.7","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C252 H312 Ag42 F18 O24 S24 Se4 -","- C252 H312 Ag42 F18 O24 S24 Se4 -","- C1008 H1248 Ag168 F72 O96 S96 Se16 -","4","1","","Wang, Zhi; Liu, Jia-Wei; Su, Hai-Feng; Zhao, Quan-Qin; Kurmoo, Mohamedally; Wang, Xing-Po; Tung, Chen-Ho; Sun, Di; Zheng, Lan-Sun","Chalcogens-Induced Ag<sub>6</sub>Z<sub>4</sub>@Ag<sub>36</sub> (Z = S or Se) Core-Shell Nanoclusters: Enlarged Tetrahedral Core and Homochiral Crystallization.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09460","","x-ray","1.54184","CuKα","","0.1204","0.0861","","","0.2426","0.2693","","","","","","1.054","","","","has coordinates","219563","2020-10-21","18:00:00",""
"4127324","7.4334","0.0005","8.6838","0.0006","30.722","0.002","90","","90","","90","","1983.1","0.2","100","2","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Au B Cl2 F4 N2 O -","- C14 H19 Au B Cl2 F4 N3 O -","- C56 H76 Au4 B4 Cl8 F16 N12 O4 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","","0.71073","MoKα","","0.0402","0.0342","","","0.0706","0.0733","","","","","","1.104","","","","has coordinates","220552","2020-10-21","18:00:00",""
"4127328","7.585","0.003","8.843","0.003","28.858","0.011","90","","90","","90","","1935.6","1.2","101","2","101.11","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Au Br2 F3 N2 O3 -","- C14 H16 Au Br2 F3 N2 O3 -","- C56 H64 Au4 Br8 F12 N8 O12 -","4","1","","Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté","Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b09108","","","0.71073","MoKα","","0.03","0.025","","","0.0502","0.0513","","","","","","1.041","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4127388","8.2356","0.001","14.7564","0.0017","14.756","","90","","90","","90","","1793.3","0.3","100","2","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 N O2 -","- C21 H33 N O2 -","- C84 H132 N4 O8 -","4","1","","Guo, Lian-Dong; Hou, Jieping; Tu, Wentong; Zhang, Yan; Zhang, Yue; Chen, Louxi; Xu, Jing","Total Synthesis of Dapholdhamine B and Dapholdhamine B Lactone.","Journal of the American Chemical Society","2019","141","29","11713","11720","10.1021/jacs.9b05641","","","1.54178","CuKα","","0.0434","0.042","","","0.1167","0.118","","","","","","1.062","","","","has coordinates","220666","2020-10-21","18:00:00",""
"4127390","8.32811","0.00006","10.96364","0.00007","16.54433","0.00009","90","","90","","90","","1510.6","0.017","140.01","0.1","140.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wu, Hua; Wang, Qian; Zhu, Jieping","Catalytic Enantioselective Pinacol and Meinwald Rearrangements for the Construction of Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","29","11372","11377","10.1021/jacs.9b04551","","x-ray","1.54184","CuKα","","0.0252","0.025","","","0.0663","0.0666","","","","","","1.06","","","","has coordinates","220668","2020-10-21","18:00:00",""
"4127394","5.1729","0.0002","10.545","0.0004","35.9696","0.0011","90","","90","","90","","1962.08","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Bendelsmith, Andrew J.; Kim, Seohyun Chris; Wasa, Masayuki; Roche, Stéphane P; Jacobsen, Eric N.","Enantioselective Synthesis of α-Allyl Amino Esters via Hydrogen-Bond-Donor Catalysis.","Journal of the American Chemical Society","2019","141","29","11414","11419","10.1021/jacs.9b05556","","","1.54178","CuKα","","0.0384","0.0369","","","0.0857","0.0862","","","","","","1.098","","","","has coordinates,has disorder","220670","2020-10-21","18:00:00",""
"4127395","9.4527","0.0003","25.1917","0.0008","27.5943","0.0009","90","","90","","90","","6571","0.4","172","2","172","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Co I N2 O3 P -","- C30 H33 Co I N2 O3 P -","- C240 H264 Co8 I8 N16 O24 P8 -","8","2","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.0663","0.0555","","","0.1446","0.1531","","","","","","1.021","","","","has coordinates","220671","2020-10-21","18:00:00",""
"4127398","8.3713","0.0011","9.4586","0.0012","17.695","0.003","90","","90","","90","","1401.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 N2 O -","- C14 H20 N2 O -","- C56 H80 N8 O4 -","4","1","","Ghorai, Samir; Chirke, Sahadev Shrihari; Xu, Wen-Bin; Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed Regio- and Enantioselective Allylic Amination.","Journal of the American Chemical Society","2019","141","29","11430","11434","10.1021/jacs.9b06035","","","1.54178","CuKα","","0.0606","0.0517","","","0.1463","0.1586","","","","","","1.007","","","","has coordinates","220674","2020-10-21","18:00:00",""
"4127438","9.4161","0.0002","14.164","0.0002","15.0633","0.0003","90","","90","","90","","2008.99","0.07","170","2","169.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O -","- C27 H21 N O -","- C108 H84 N4 O4 -","4","1","","Wang, Qiang; Cai, Zhong-Jian; Liu, Chen-Xu; Gu, Qing; You, Shu-Li","Rhodium-Catalyzed Atroposelective C-H Arylation: Efficient Synthesis of Axially Chiral Heterobiaryls.","Journal of the American Chemical Society","2019","141","24","9504","9510","10.1021/jacs.9b03862","","","1.34139","GaKα","","0.0347","0.0335","","","0.085","0.0861","","","","","","1.075","","","","has coordinates","220711","2020-10-21","18:00:00",""
"4127454","10.0127","0.0002","13.6575","0.0002","30.8925","0.0005","90","","90","","90","","4224.5","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 I N3 O2 Rh -","- C42 H33 I N3 O2 Rh -","- C168 H132 I4 N12 O8 Rh4 -","4","1","","Tian, Miaomiao; Bai, Dachang; Zheng, Guangfan; Chang, Junbiao; Li, Xingwei","Rh(III)-Catalyzed Asymmetric Synthesis of Axially Chiral Biindolyls by Merging C-H Activation and Nucleophilic Cyclization.","Journal of the American Chemical Society","2019","141","24","9527","9532","10.1021/jacs.9b04711","","","0.71073","MoKα","","0.0827","0.0484","","","0.1536","0.1837","","","","","","0.646","","","","has coordinates","220727","2020-10-21","18:00:00",""
"4127458","10.496","0.0005","13.6381","0.0008","15.8459","0.0006","90","","90","","90","","2268.27","0.19","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O4 S -","- C26 H33 N O4 S -","- C104 H132 N4 O16 S4 -","4","1","","Nie, Wei; Gong, Jing; Chen, Zhihao; Liu, Jiazhen; Tian, Di; Song, Hao; Liu, Xiao-Yu; Qin, Yong","Enantioselective Total Synthesis of (-)-Arcutinine.","Journal of the American Chemical Society","2019","141","24","9712","9718","10.1021/jacs.9b04847","","x-ray","0.71073","MoKα","","0.074","0.0467","","","0.0835","0.0927","","","","","","0.99","","","","has coordinates","220731","2020-10-21","18:00:00",""
"4127472","7.12324","0.00007","8.00568","0.00007","17.09534","0.00015","90","","90","","90","","974.885","0.015","150","0.1","150","0.1","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","(8S,8aS)-8a-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydroazulen-4(1H)-one","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","1","","Mato, Raquel; Manzano, Rubén; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Vicario, Jose L.","Catalytic Enantioselective Transannular Morita-Baylis-Hillman Reaction.","Journal of the American Chemical Society","2019","141","24","9495","9499","10.1021/jacs.9b03679","","","1.54184","CuKα","","0.0285","0.0279","","","0.0732","0.0737","","","","","","1.026","","","","has coordinates","220741","2020-10-21","18:00:00",""
"4127474","13.5015","0.0003","18.6524","0.0005","45.9564","0.0012","90","","90","","90","","11573.4","0.5","140","0.1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H163 K2 O31 Si6 U2 -","- C75 H163 K2 O31 Si6 U2 -","- C300 H652 K8 O124 Si24 U8 -","4","1","","Falcone, Marta; Scopelliti, Rosario; Mazzanti, Marinella","CO<sub>2</sub> and CO/H<sub>2</sub> Conversion to Methoxide by a Uranium(IV) Hydride.","Journal of the American Chemical Society","2019","141","24","9570","9577","10.1021/jacs.9b02235","","x-ray","1.54184","CuKα","","0.0873","0.0582","","","0.1267","0.1432","","","","","","0.964","","","","has coordinates,has disorder","220743","2020-10-21","18:00:00",""
"4127487","10.0952","0.0002","13.0588","0.0003","31.2002","0.0008","90","","90","","90","","4113.16","0.16","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Au B Cl2 F7 N3 O5 -","- C35 H48 Au B Cl2 F7 N3 O5 -","- C140 H192 Au4 B4 Cl8 F28 N12 O20 -","4","1","","Kim, Suhong; Toste, F. Dean","Mechanism of Photoredox-Initiated C-C and C-N Bond Formation by Arylation of IPrAu(I)-CF<sub>3</sub> and IPrAu(I)-Succinimide.","Journal of the American Chemical Society","2019","141","10","4308","4315","10.1021/jacs.8b11273","","","0.71073","MoKα","","0.0245","0.0228","","","0.0484","0.0488","","","","","","1.03","","","","has coordinates","220756","2020-10-21","18:00:00",""
"4127495","17.3686","0.001","23.3588","0.0014","26.4874","0.0015","90","","90","","90","","10746.2","1.1","179.99","0.1","179.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C93 H102 Cr3 N8 P3 -","- C93 H102 Cr3 N8 P3 -","- C372 H408 Cr12 N32 P12 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0726","0.0469","","","0.0976","0.1058","","","","","","1.041","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127496","15.2595","0.0004","16.1681","0.0004","26.5072","0.0006","90","","90","","90","","6539.8","0.3","180","0.1","180","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H92 Cr2 N6 P2 -","- C62 H92 Cr2 N6 P2 -","- C248 H368 Cr8 N24 P8 -","4","1","","Yin, Jianhao; Li, Jiapeng; Wang, Gao-Xiang; Yin, Zhu-Bao; Zhang, Wen-Xiong; Xi, Zhenfeng","Dinitrogen Functionalization Affording Chromium Hydrazido Complex.","Journal of the American Chemical Society","2019","141","10","4241","4247","10.1021/jacs.9b00822","","x-ray","0.71073","MoKα","","0.0668","0.0581","","","0.1543","0.1632","","","","","","1.09","","","","has coordinates","220762","2020-10-21","18:00:00",""
"4127502","13.714","0.0005","21.0582","0.0007","27.161","0.001","90","","90","","90","","7843.9","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C90 H120 O12 -","- C90 H120 O12 -","- C360 H480 O48 -","4","1","","Jia, Fei; Hupatz, Henrik; Yang, Liu-Pan; Schröder, Hendrik V; Li, Dong-Hao; Xin, Shan; Lentz, Dieter; Witte, Felix; Xie, Xiaojiang; Paulus, Beate; Schalley, Christoph A.; Jiang, Wei","Naphthocage: A Flexible yet Extremely Strong Binder for Singly Charged Organic Cations.","Journal of the American Chemical Society","2019","141","10","4468","4473","10.1021/jacs.9b00445","","","1.54178","CuKα","","0.2011","0.1852","","","0.3843","0.3918","","","","","","1.246","","","","has coordinates","220764","2020-10-21","18:00:00",""
"4127552","12.1123","0.0006","21.5468","0.0011","22.5752","0.0011","90","","90","","90","","5891.7","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","{[BP2]Co(dmap)}Si{H2Co[BP3[)","","- C54 H99 B2 Co2 N2 P5 Si -","- C54 H99 B2 Co2 N2 P5 Si -","- C216 H396 B8 Co8 N8 P20 Si4 -","4","1","","Handford, Rex C.; Smith, Patrick W.; Tilley, T. Don","Activations of all Bonds to Silicon (Si-H, Si-C) in a Silane with Extrusion of [CoSiCo] Silicide Cores.","Journal of the American Chemical Society","2019","141","22","8769","8772","10.1021/jacs.9b04265","","x-ray","0.7288","synchrotron","","0.0518","0.0413","","","0.0936","0.0988","","","","","","1.023","","","","has coordinates,has disorder","220776","2020-10-21","18:00:00",""
"4127569","7.7784","0.0017","15.378","0.003","18.919","0.004","90","","90","","90","","2263","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl3 N3 O2 Rh -","- C20 H23 Cl3 N3 O2 Rh -","- C80 H92 Cl12 N12 O8 Rh4 -","4","1","","Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart A.","The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.","Journal of the American Chemical Society","2019","141","22","8896","8906","10.1021/jacs.9b02073","","","0.71073","MoKα","","0.0525","0.0454","","","0.0965","0.0992","","","","","","0.996","","","","has coordinates","220782","2020-10-21","18:00:00",""
"4127592","8.2926","0.0018","8.5989","0.0018","24.551","0.006","90","","90","","90","","1750.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Ge, Yao; Han, Zhaobin; Wang, Zheng; Ding, Kuiling","Ir-Catalyzed Double Asymmetric Hydrogenation of 3,6-Dialkylidene-2,5-diketopiperazines for Enantioselective Synthesis of Cyclic Dipeptides.","Journal of the American Chemical Society","2019","141","22","8981","8988","10.1021/jacs.9b02920","","","0.71073","MoKα","","0.0561","0.0443","","","0.1064","0.1136","","","","","","1.036","","","","has coordinates","220804","2020-10-21","18:00:00",""
"4127617","6.067","0.0003","13.3231","0.0007","51.133","0.003","90","","90","","90","","4133.1","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","YJT_boariol_422","","","- C15 H26 O3 -","- C15 H26 O3 -","- C180 H312 O36 -","12","3","","Hu, Xirui; Musacchio, Andrew J.; Shen, Xingyu; Tao, Yujia; Maimone, Thomas J.","Allylative Approaches to the Synthesis of Complex Guaianolide Sesquiterpenes from Apiaceae and Asteraceae.","Journal of the American Chemical Society","2019","141","37","14904","14915","10.1021/jacs.9b08001","","","1.54178","CuKα","","0.1198","0.1102","","","0.2872","0.2935","","","","","","1.069","","","","has coordinates","220823","2020-10-21","18:00:00",""
"4127628","5.7511","0.0012","7.4747","0.0015","32.771","0.007","90","","90","","90","","1408.8","0.5","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl N O2 -","- C14 H18 Cl N O2 -","- C56 H72 Cl4 N4 O8 -","4","1","","Zhang, Qinglong; Yu, Huimin; Shen, Lulu; Tang, Tianhua; Dong, Dongfang; Chai, Weiwei; Zi, Weiwei","Stereodivergent Coupling of 1,3-Dienes with Aldimine Esters Enabled by Synergistic Pd and Cu Catalysis.","Journal of the American Chemical Society","2019","141","37","14554","14559","10.1021/jacs.9b07600","","","0.71073","MoKα","","0.0525","0.0453","","","0.0975","0.1022","","","","","","1.039","","","","has coordinates","220834","2020-10-21","18:00:00",""
"4127632","17.561","0.002","18.084","0.002","29.865","0.003","90","","90","","90","","9484.3","1.8","170","2","170.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C90 H124 Cl N2 Pd -","- C90 H124 Cl N2 Pd -","- C360 H496 Cl4 N8 Pd4 -","4","1","","Shen, Di; Xu, Youjun; Shi, Shi-Liang","A Bulky Chiral N-Heterocyclic Carbene Palladium Catalyst Enables Highly Enantioselective Suzuki-Miyaura Cross-Coupling Reactions for the Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2019","141","37","14938","14945","10.1021/jacs.9b08578","","","1.34139","GaKα","","0.1665","0.12","","","0.3163","0.3483","","","","","","1.102","","","","has coordinates","220838","2020-10-21","18:00:00",""
"4127633","12.4332","0.0004","19.3921","0.0006","19.9589","0.0006","90","","90","","90","","4812.2","0.3","170","2","169.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H59 Cl N2 Pd -","- C58 H59 Cl N2 Pd -","- C232 H236 Cl4 N8 Pd4 -","4","1","","Shen, Di; Xu, Youjun; Shi, Shi-Liang","A Bulky Chiral N-Heterocyclic Carbene Palladium Catalyst Enables Highly Enantioselective Suzuki-Miyaura Cross-Coupling Reactions for the Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2019","141","37","14938","14945","10.1021/jacs.9b08578","","","1.34139","GaKα","","0.0942","0.0599","","","0.1162","0.133","","","","","","1.034","","","","has coordinates","220839","2020-10-21","18:00:00",""
"4127634","7.5968","0.0002","8.4886","0.0002","27.1575","0.0005","90","","90","","90","","1751.28","0.07","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","1","","Shen, Di; Xu, Youjun; Shi, Shi-Liang","A Bulky Chiral N-Heterocyclic Carbene Palladium Catalyst Enables Highly Enantioselective Suzuki-Miyaura Cross-Coupling Reactions for the Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2019","141","37","14938","14945","10.1021/jacs.9b08578","","","1.34139","GaKα","","0.0269","0.0264","","","0.0703","0.0707","","","","","","1.065","","","","has coordinates","220840","2020-10-21","18:00:00",""
"4127648","8.7915","0.0001","15.3917","0.0003","22.3423","0.0004","90","","90","","90","","3023.27","0.09","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H30 I7 N3 Pb2 -","- C9 H30 I7 N3 Pb2 -","- C36 H120 I28 N12 Pb8 -","4","1","","Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.","From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.","Journal of the American Chemical Society","2019","141","27","10661","10676","10.1021/jacs.9b02846","","x-ray","0.71073","MoKα","","0.0401","0.0268","","","0.0546","0.0585","","","","1.19","1.19","1.13","","","","has coordinates","220854","2020-10-21","18:00:00",""
"4127650","8.9019","0.0017","17.903","0.003","18.664","0.003","90","","90","","90","","2974.5","0.9","150","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 B N3 O Si -","- C34 H34 B N3 O Si -","- C136 H136 B4 N12 O4 Si4 -","4","1","","Shi, Yongjia; Gao, Qian; Xu, Senmiao","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Borylation of Cyclopropanes.","Journal of the American Chemical Society","2019","141","27","10599","10604","10.1021/jacs.9b04549","","","0.71073","MoKα","","0.0945","0.0568","","","0.1136","0.1276","","","","","","1.033","","","","has coordinates","220856","2020-10-21","18:00:00",""
"4127663","13.0245","0.0003","15.0943","0.0003","29.3272","0.0006","90","","90","","90","","5765.6","0.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H73 F6 N6 O Sb -","- C68 H73 F6 N6 O Sb -","- C272 H292 F24 N24 O4 Sb4 -","4","1","","Oki, Kosuke; Takase, Masayoshi; Mori, Shigeki; Uno, Hidemitsu","Synthesis and Isolation of Antiaromatic Expanded Azacoronene via Intramolecular Vilsmeier-Type Reaction.","Journal of the American Chemical Society","2019","141","41","16255","16259","10.1021/jacs.9b09260","","","0.71073","MoKα","","0.0597","0.0476","","","0.0934","0.0981","","","","","","1.037","","","","has coordinates,has disorder","220864","2020-10-21","18:00:00",""
"4127665","10.5327","0.0001","12.8053","0.0001","22.0965","0.0002","90","","90","","90","","2980.25","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H48 O7 Si2 -","- C25 H48 O7 Si2 -","- C100 H192 O28 Si8 -","4","1","","Ji, Yang; Xin, Zhengyuan; He, Haibing; Gao, Shuanhu","Total Synthesis of Viridin and Viridiol.","Journal of the American Chemical Society","2019","141","41","16208","16212","10.1021/jacs.9b08577","","x-ray","1.54184","CuKα","","0.0293","0.0291","","","0.0736","0.0738","","","","","","1.04","","","","has coordinates","220866","2020-10-21","18:00:00",""
"4127673","5.0322","0.0001","13.0715","0.0002","16.2633","0.0002","90","","90","","90","","1069.77","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,3aS,9bR)-3-methyl-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0319","0.0309","","","0.0852","0.0861","","","","","","1.096","","","","has coordinates","220872","2020-10-21","18:00:00",""
"4127679","4.9886","0.0001","7.7361","0.0001","26.4469","0.0004","90","","90","","90","","1020.65","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aS,9bR)-8-chloro-3a,4,5,9b-tetrahydronaphtho[1,2-b]furan-2(3H)-one","","- C12 H11 Cl O2 -","- C12 H11 Cl O2 -","- C48 H44 Cl4 O8 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","x-ray","1.54184","CuKα","","0.0335","0.0322","","","0.102","0.1057","","","","","","0.94","","","","has coordinates","220878","2020-10-21","18:00:00",""
"4127680","5.0178","0.0015","12.447","0.004","16.893","0.005","90","","90","","90","","1055.1","0.6","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Touge, Taichiro; Sakaguchi, Kazuhiko; Tamaki, Nao; Nara, Hideki; Yokozawa, Tohru; Matsumura, Kazuhiko; Kayaki, Yoshihito","Multiple Absolute Stereocontrol in Cascade Lactone Formation via Dynamic Kinetic Resolution Driven by the Asymmetric Transfer Hydrogenation of Keto Acids with Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2019","141","41","16354","16361","10.1021/jacs.9b07297","","","0.71075","MoKα","","","0.0462","","","","0.1044","","","","","","1","","","","has coordinates","220879","2020-10-21","18:00:00",""
"4127682","9.4855","0.0013","13.9062","0.0019","24.919","0.003","90","","90","","90","","3287","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H37 N O4 -","- C43 H37 N O4 -","- C172 H148 N4 O16 -","4","1","","Wu, Mingyue; Han, Zhaobin; Li, Kaizhi; Wu, Ji'en; Ding, Kuiling; Lu, Yixin","Cyclohexyl-Fused, Spirobiindane-Derived, Phosphine-Catalyzed Synthesis of Tricyclic γ-Lactams and Kinetic Resolution of γ-Substituted Allenoates.","Journal of the American Chemical Society","2019","141","41","16362","16373","10.1021/jacs.9b07418","","","1.54178","CuKα","","0.0253","0.0252","","","0.0625","0.0626","","","","","","1.037","","","","has coordinates","220881","2020-10-21","18:00:00",""
"4127690","3.8362","0.0005","13.7755","0.0018","20.821","0.002","90","","90","","90","","1100.3","0.2","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C56 H40 N16 -","4","1","","Wu, Zhi-Chen; Boger, Dale L.","Synthesis, Characterization, and Cycloaddition Reactivity of a Monocyclic Aromatic 1,2,3,5-Tetrazine.","Journal of the American Chemical Society","2019","141","41","16388","16397","10.1021/jacs.9b07744","","x-ray","0.71073","MoKα","","0.0825","0.0475","","","0.0842","0.0949","","","","","","1.002","","","","has coordinates","220887","2020-10-21","18:00:00",""
"4127697","8.2266","0.0002","9.0595","0.0002","24.4559","0.0006","90","","90","","90","","1822.67","0.07","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 F3 O -","- C21 H25 F3 O -","- C84 H100 F12 O4 -","4","1","","Huang, David; Olivieri, Diego; Sun, Yang; Zhang, Pengpeng; Newhouse, Timothy R.","Nickel-Catalyzed Difunctionalization of Unactivated Alkenes Initiated by Unstabilized Enolates.","Journal of the American Chemical Society","2019","141","41","16249","16254","10.1021/jacs.9b09245","","","1.54184","CuKα","","0.0458","0.0422","","","0.1086","0.1117","","","","","","1.051","","","","has coordinates","220890","2020-10-21","18:00:00",""
"4127717","8.3012","0.0003","13.3693","0.0006","17.8245","0.0007","90","","90","","90","","1978.18","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H15 F4 N O3 -","- C26 H15 F4 N O3 -","- C104 H60 F16 N4 O12 -","4","1","","Li, Ping; Vik, Erik C.; Maier, Josef M.; Karki, Ishwor; Strickland, Sharon M. S.; Umana, Jessica M.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Electrostatically Driven CO-π Aromatic Interactions.","Journal of the American Chemical Society","2019","141","32","12513","12517","10.1021/jacs.9b06363","","x-ray","0.71073","MoKα","","0.0434","0.0354","","","0.0787","0.0821","","","","","","1.047","","","","has coordinates","220904","2020-10-21","18:00:00",""
"4127776","5.6789","0.0001","14.8057","0.0003","19.0477","0.0004","90","","90","","90","","1601.53","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Chen, Yue-Gang; Shuai, Bin; Xu, Xue-Tao; Li, Yi-Qian; Yang, Qi-Liang; Qiu, Hui; Zhang, Kun; Fang, Ping; Mei, Tian-Sheng","Nickel-catalyzed Enantioselective Hydroarylation and Hydroalkenylation of Styrenes.","Journal of the American Chemical Society","2019","141","8","3395","3399","10.1021/jacs.8b13524","","","1.54178","CuKα","","0.0635","0.0587","","","0.1677","0.1762","","","","","","1.03","","","","has coordinates","220947","2020-10-21","18:00:00",""
"4127777","6.4416","0.0003","10.2487","0.0004","49.282","0.003","90","","90","","90","","3253.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Cl N O -","- C17 H22 Cl N O -","- C136 H176 Cl8 N8 O8 -","8","2","","Chen, Yue-Gang; Shuai, Bin; Xu, Xue-Tao; Li, Yi-Qian; Yang, Qi-Liang; Qiu, Hui; Zhang, Kun; Fang, Ping; Mei, Tian-Sheng","Nickel-catalyzed Enantioselective Hydroarylation and Hydroalkenylation of Styrenes.","Journal of the American Chemical Society","2019","141","8","3395","3399","10.1021/jacs.8b13524","","","0.71073","MoKα","","0.1178","0.0811","","","0.1946","0.2244","","","","","","0.993","","","","has coordinates","220948","2020-10-21","18:00:00",""
"4127783","12.114","0.0001","12.9777","0.0001","14.7578","0.0001","90","","90","","90","","2320.1","0.03","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N2 O4.5 -","- C27 H28 N2 O4.5 -","- C108 H112 N8 O18 -","4","1","","Zhu, Xu; McAtee, Christopher C.; Schindler, Corinna S.","Total Syntheses of Herqulines B and C.","Journal of the American Chemical Society","2019","141","8","3409","3413","10.1021/jacs.8b13849","","","1.54184","CuKα","","0.0351","0.0337","","","0.0899","0.0927","","","","","","1.077","","","","has coordinates","220954","2020-10-21","18:00:00",""
"4127787","4.9345","0.0001","8.6504","0.0002","23.3738","0.0006","90","","90","","90","","997.72","0.04","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 F3 N O -","- C10 H10 F3 N O -","- C40 H40 F12 N4 O4 -","4","1","","Gimenez, Diana; Zhou, Guangfeng; Hurley, Matthew F. D.; Aguilar, Juan A.; Voelz, Vincent A.; Cobb, Steven L.","Fluorinated Aromatic Monomers as Building Blocks To Control α-Peptoid Conformation and Structure.","Journal of the American Chemical Society","2019","141","8","3430","3434","10.1021/jacs.8b13498","","x-ray","1.54178","CuKα","","0.0223","0.022","","","0.0572","0.0576","","","","","","1.086","","","","has coordinates","220958","2020-10-21","18:00:00",""
"4127799","5.29465","0.00006","19.8691","0.0002","39.0839","0.0004","90","","90","","90","","4111.62","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O -","- C15 H28 O -","- C180 H336 O12 -","12","3","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.1002","0.0796","","","0.2066","0.2303","","","","","","1.092","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4127800","5.19326","0.00005","10.12354","0.00009","25.958","0.0002","90","","90","","90","","1364.72","0.02","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 O -","- C15 H28 O -","- C60 H112 O4 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0311","0.0301","","","0.0771","0.0777","","","","","","1.061","","","","has coordinates","220972","2020-10-21","18:00:00",""
"4127802","7.80152","0.00017","15.1999","0.0004","16.6629","0.0005","90","","90","","90","","1975.93","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O4 -","- C22 H31 N O4 -","- C88 H124 N4 O16 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0761","0.0536","","","0.0897","0.1006","","","","","","1.031","","","","has coordinates","220974","2020-10-21","18:00:00",""
"4127807","10.0448","0.00016","10.66539","0.00017","12.99878","0.0002","90","","90","","90","","1392.58","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O -","- C15 H26 O -","- C60 H104 O4 -","4","1","","Yu, Xuerong; Xiao, Lianghong; Wang, Zechun; Luo, Tuoping","Scalable Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","8","3440","3443","10.1021/jacs.9b00621","","x-ray","1.54184","CuKα","","0.0297","0.0284","","","0.0745","0.0752","","","","","","1.052","","","","has coordinates","220979","2020-10-21","18:00:00",""
"4127823","7.2034","0.0004","14.0718","0.0009","17.7298","0.001","90","","90","","90","","1797.18","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O2 -","- C23 H28 O2 -","- C92 H112 O8 -","4","1","","Xia, Ying; Ochi, Shusuke; Dong, Guangbin","Two-Carbon Ring Expansion of 1-Indanones via Insertion of Ethylene into Carbon-Carbon Bonds.","Journal of the American Chemical Society","2019","141","33","13038","13042","10.1021/jacs.9b07445","","","0.71073","MoKα","","0.0821","0.0508","","","0.0908","0.1001","","","","","","1.018","","","","has coordinates","220995","2020-10-21","18:00:00",""
"4127842","13.45292","0.0001","17.12816","0.00013","23.425","0.0002","90","","90","","90","","5397.68","0.07","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H44 Cr F18 N6 O3 P3 -","- C52 H44 Cr F18 N6 O3 P3 -","- C208 H176 Cr4 F72 N24 O12 P12 -","4","1","","Jiménez, Juan-Ramón; Doistau, Benjamin; Cruz, Carlos M.; Besnard, Céline; Cuerva, Juan M.; Campaña, Araceli G; Piguet, Claude","Chiral Molecular Ruby [Cr(dqp)<sub>2</sub>]<sup>3+</sup> with Long-Lived Circularly Polarized Luminescence.","Journal of the American Chemical Society","2019","141","33","13244","13252","10.1021/jacs.9b06524","","x-ray","1.54184","CuKα","","0.0363","0.0356","","","0.0915","0.0924","","","","","","1.028","","","","has coordinates,has disorder","221013","2020-10-21","18:00:00",""
"4127845","8.4379","0.0004","11.3975","0.0005","28.3831","0.0013","90","","90","","90","","2729.6","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O4 S -","- C32 H41 N O4 S -","- C128 H164 N4 O16 S4 -","4","1","","Guo, Lian-Dong; Hu, Jingping; Zhang, Yan; Tu, Wentong; Zhang, Yue; Pu, Fan; Xu, Jing","Enantioselective Total Synthesis of (-)-Caldaphnidine O via a Radical Cyclization Cascade.","Journal of the American Chemical Society","2019","141","33","13043","13048","10.1021/jacs.9b07558","","x-ray","0.71073","MoKα","","0.0378","0.0329","","","0.0749","0.0768","","","","","","1.044","","","","has coordinates","221016","2020-10-21","18:00:00",""
"4127849","6.30661","0.00005","8.76884","0.00007","31.4352","0.0002","90","","90","","90","","1738.42","0.02","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 F N2 O S -","- C20 H19 F N2 O S -","- C80 H76 F4 N8 O4 S4 -","4","1","","He, Zhi-Tao; Jiang, Xingyu; Hartwig, John F.","Stereodivergent Construction of Tertiary Fluorides in Vicinal Stereogenic Pairs by Allylic Substitution with Iridium and Copper Catalysts.","Journal of the American Chemical Society","2019","141","33","13066","13073","10.1021/jacs.9b04440","","x-ray","1.54184","CuKα","","0.0279","0.0275","","","0.0672","0.0675","","","","","","1.051","","","","has coordinates,has disorder","221020","2020-10-21","18:00:00",""
"4127865","6.0959","0.0007","16.8166","0.0018","21.65","0.002","90","","90","","90","","2219.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 B2 N4 -","- C28 H22 B2 N4 -","- C112 H88 B8 N16 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0453","0.0375","","","0.083","0.0874","","","","","","1.065","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127867","7.4717","0.0008","12.2883","0.0013","19.718","0.002","90","","90","","90","","1810.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 B N2 -","- C24 H19 B N2 -","- C96 H76 B4 N8 -","4","1","","Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi","Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.","Journal of the American Chemical Society","2019","141","43","17042","17047","10.1021/jacs.9b06910","","","0.71073","MoKα","","0.0429","0.037","","","0.0781","0.0812","","","","","","1.051","","","","has coordinates","221031","2020-10-21","18:00:00",""
"4127901","7.6634","0.0002","16.5163","0.0003","27.5414","0.0005","90","","90","","90","","3485.94","0.13","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 Br N5 O6 S -","- C38 H34 Br N5 O6 S -","- C152 H136 Br4 N20 O24 S4 -","4","1","","Isley, Nicholas A.; Endo, Yusuke; Wu, Zhi-Chen; Covington, Brett C.; Bushin, Leah B.; Seyedsayamdost, Mohammad R.; Boger, Dale L.","Total Synthesis and Stereochemical Assignment of Streptide.","Journal of the American Chemical Society","2019","141","43","17361","17369","10.1021/jacs.9b09067","","x-ray","1.54178","CuKα","","0.0378","0.0363","","","0.0902","0.0911","","","","","","1.035","","","","has coordinates","221059","2020-10-21","18:00:00",""
"4127907","10.2427","0.0001","17.1382","0.0002","17.4927","0.0002","90","","90","","90","","3070.69","0.06","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F4 N O -","- C17 H15 F4 N O -","- C136 H120 F32 N8 O8 -","8","2","","Wu, Lianqian; Wang, Fei; Chen, Pinhong; Liu, Guosheng","Enantioselective Construction of Quaternary All-Carbon Centers via Copper-Catalyzed Arylation of Tertiary Carbon-Centered Radicals.","Journal of the American Chemical Society","2019","141","5","1887","1892","10.1021/jacs.8b13052","","","1.34139","GaKα","","0.0495","0.0403","","","0.0873","0.0931","","","","","","1.076","","","","has coordinates","221065","2020-10-21","18:00:00",""
"4127918","13.5988","0.0008","47.708","0.003","50.646","0.003","90","","90","","90","","32858","3","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C96 H415 K23 O300 P20 Pd31 -","- C96 H112 K17.8333 O221.508 P20 Pd31 -","- C384 H448 K71.3332 O886.031 P80 Pd124 -","4","1","","Yang, Peng; Zhao, Wenli; Shkurenko, Aleksander; Belmabkhout, Youssef; Eddaoudi, Mohamed; Dong, Xiaochen; Alshareef, Husam N.; Khashab, Niveen M.","Polyoxometalate-Cyclodextrin Metal-Organic Frameworks: From Tunable Structure to Customized Storage Functionality.","Journal of the American Chemical Society","2019","141","5","1847","1851","10.1021/jacs.8b11998","","","1.54178","CuKα","","0.082","0.0772","","","0.216","0.2218","","","","","","1.031","","","","has coordinates,has disorder","221076","2020-10-21","18:00:00",""
"4127934","13.4493","0.0005","19.5239","0.0009","25.1485","0.0009","90","","90","","90","","6603.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","iso-P4O12(PPN)2*H2O","","","- C72 H62 N2 O12.59 P8 -","- C72 H62 N2 O12.59 P8 -","- C288 H248 N8 O50.36 P32 -","4","1","","Shepard, Scott M.; Cummins, Christopher C.","Functionalization of Intact Trimetaphosphate: A Triphosphorylating Reagent for C, N, and O Nucleophiles.","Journal of the American Chemical Society","2019","141","5","1852","1856","10.1021/jacs.8b12204","","","1.54178","CuKα","","0.0758","0.0562","","","0.138","0.1571","","","","","","1.091","","","","has coordinates","221092","2020-10-21","18:00:00",""
"4127979","10.4082","0.0001","13.6167","0.0001","18.5933","0.0002","90","","90","","90","","2635.14","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 F N O2 S -","- C32 H24 F N O2 S -","- C128 H96 F4 N4 O8 S4 -","4","1","","Hong, Feng-Lin; Wang, Ze-Shu; Wei, Dong-Dong; Zhai, Tong-Yi; Deng, Guo-Cheng; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Generation of Donor/Donor Copper Carbenes through Copper-Catalyzed Diyne Cyclization: Enantioselective and Divergent Synthesis of Chiral Polycyclic Pyrroles.","Journal of the American Chemical Society","2019","141","42","16961","16970","10.1021/jacs.9b09303","","x-ray","1.54184","CuKα","","0.0328","0.0311","","","0.0862","0.0877","","","","","","1.051","","","","has coordinates","221121","2020-10-21","18:00:00",""
"4127980","5.477","0.0002","17.2742","0.0005","22.007","0.0006","90","","90","","90","","2082.1","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br N O3 S -","- C24 H18 Br N O3 S -","- C96 H72 Br4 N4 O12 S4 -","4","1","","Hong, Feng-Lin; Wang, Ze-Shu; Wei, Dong-Dong; Zhai, Tong-Yi; Deng, Guo-Cheng; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Generation of Donor/Donor Copper Carbenes through Copper-Catalyzed Diyne Cyclization: Enantioselective and Divergent Synthesis of Chiral Polycyclic Pyrroles.","Journal of the American Chemical Society","2019","141","42","16961","16970","10.1021/jacs.9b09303","","x-ray","1.54184","CuKα","","0.0448","0.042","","","0.1114","0.1163","","","","","","1.051","","","","has coordinates","221122","2020-10-21","18:00:00",""
"4127995","6.8171","0.0005","13.2954","0.0009","18.339","0.0015","90","","90","","90","","1662.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N4 O2 S -","- C17 H20 N4 O2 S -","- C68 H80 N16 O8 S4 -","4","1","","Wang, Zhaofeng; Jiang, Liyin; Sarró, Pau; Suero, Marcos G.","Catalytic Cleavage of C(<i>sp</i><sup>2</sup>)-C(<i>sp</i><sup>2</sup>) Bonds with Rh-Carbynoids.","Journal of the American Chemical Society","2019","141","39","15509","15514","10.1021/jacs.9b08632","","","0.71073","MoKα","","0.055","0.0428","","","0.0945","0.1007","","","","","","1.014","","","","has coordinates","221133","2020-10-21","18:00:00",""
"4128024","9.804","0.003","13.105","0.003","16.366","0.005","90","","90","","90","","2102.7","1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 Pd2 -","- C22 H24 O4 Pd2 -","- C88 H96 O16 Pd8 -","4","1","","Jaworski, Jonathan N.; Kozack, Caitlin V.; Tereniak, Stephen J.; Knapp, Spring Melody M.; Landis, Clark R.; Miller, Jeffrey T.; Stahl, Shannon S.","Operando Spectroscopic and Kinetic Characterization of Aerobic Allylic C-H Acetoxylation Catalyzed by Pd(OAc)<sub>2</sub>/4,5-Diazafluoren-9-one.","Journal of the American Chemical Society","2019","141","26","10462","10474","10.1021/jacs.9b04699","","x-ray","0.71073","MoKα","","0.0307","0.027","","","0.0636","0.0646","","","","","","1.036","","","","has coordinates,has disorder","221162","2020-10-21","18:00:00",""
"4128050","4.9489","0.0002","12.6503","0.0004","23.4534","0.0008","90","","90","","90","","1468.3","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C84 H56 N8 -","4","1","","Yen-Pon, Expédite; Champagne, Pier Alexandre; Plougastel, Lucie; Gabillet, Sandra; Thuéry, Pierre; Johnson, Mizuki; Muller, Gilles; Pieters, Grégory; Taran, Frédéric; Houk, K. N.; Audisio, Davide","Sydnone-Based Approach to Heterohelicenes through 1,3-Dipolar-Cycloadditions.","Journal of the American Chemical Society","2019","141","4","1435","1440","10.1021/jacs.8b11465","","","0.71073","MoKα","","0.0433","0.0362","","","0.0934","0.0969","","","","","","1.064","","","","has coordinates,has disorder","221181","2020-10-21","18:00:00",""
"4128079","5.9401","0.0001","10.656","0.0001","23.6934","0.0002","90","","90","","90","","1499.74","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Kang, Zhenghui; Wang, Yongheng; Zhang, Dan; Wu, Ruibo; Xu, Xinfang; Hu, Wenhao","Asymmetric Counter-Anion-Directed Aminomethylation: Synthesis of Chiral β-Amino Acids via Trapping of an Enol Intermediate.","Journal of the American Chemical Society","2019","141","4","1473","1478","10.1021/jacs.8b12832","","","1.54184","CuKα","","0.0321","0.0318","","","0.0858","0.086","","","","","","1.089","","","","has coordinates","221210","2020-10-21","18:00:00",""
"4128098","6.6127","0.0005","8.2896","0.0005","24.1826","0.0016","90","","90","","90","","1325.61","0.16","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br O4 -","- C14 H11 Br O4 -","- C56 H44 Br4 O16 -","4","1","","Trost, Barry M.; Gnanamani, Elumalai; Kalnmals, Christopher A.; Hung, Chao-I Joey; Tracy, Jacob S.","Direct Enantio- and Diastereoselective Vinylogous Addition of Butenolides to Chromones Catalyzed by Zn-ProPhenol.","Journal of the American Chemical Society","2019","141","4","1489","1493","10.1021/jacs.8b13367","","x-ray","0.71073","MoKα","","0.0325","0.0302","","","0.0617","0.0627","","","","","","1.168","","","","has coordinates","221229","2020-10-21","18:00:00",""
"4128109","4.6221","0.0009","7.3099","0.0015","29.54","0.006","90","","90","","90","","998.1","0.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 I N O -","- C10 H10 I N O -","- C40 H40 I4 N4 O4 -","4","1","","Wang, Hao; Park, Yoonsu; Bai, Ziqian; Chang, Sukbok; He, Gang; Chen, Gong","Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Amidation Controlled by Attractive Noncovalent Interactions.","Journal of the American Chemical Society","2019","141","17","7194","7201","10.1021/jacs.9b02811","","","0.71073","MoKα","","0.0255","0.0241","","","0.0532","0.0541","","","","","","1.034","","","","has coordinates","221239","2020-10-21","18:00:00",""
"4128110","14.374","0.003","20.416","0.004","20.775","0.004","90","","90","","90","","6097","2","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H35 Cl Ir N3 O3 -","- C33 H35 Cl Ir N3 O3 -","- C264 H280 Cl8 Ir8 N24 O24 -","8","2","","Wang, Hao; Park, Yoonsu; Bai, Ziqian; Chang, Sukbok; He, Gang; Chen, Gong","Iridium-Catalyzed Enantioselective C(sp<sup>3</sup>)-H Amidation Controlled by Attractive Noncovalent Interactions.","Journal of the American Chemical Society","2019","141","17","7194","7201","10.1021/jacs.9b02811","","","0.71073","MoKα","","0.0564","0.0507","","","0.0968","0.0996","","","","","","1.109","","","","has coordinates","221240","2020-10-21","18:00:00",""
"4128120","4.9802","0.0006","22.13","0.003","28.504","0.003","90","","90","","90","","3141.5","0.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 Br N O5 -","- C31 H48 Br N O5 -","- C124 H192 Br4 N4 O20 -","4","1","","Liu, Cui-Ping; Xie, Cheng-Ying; Zhao, Jin-Xin; Ji, Kai-Long; Lei, Xin-Xiang; Sun, Han; Lou, Li-Guang; Yue, Jian-Min","Dysoxylactam A: A Macrocyclolipopeptide Reverses P-Glycoprotein-Mediated Multidrug Resistance in Cancer Cells.","Journal of the American Chemical Society","2019","141","17","6812","6816","10.1021/jacs.9b02259","","","0.71073","MoKα","","0.0987","0.0465","","","0.0553","0.0648","","","","","","0.996","","","","has coordinates","221250","2020-10-21","18:00:00",""
"4128122","10.779","0.003","14.999","0.004","25.118","0.006","90","","90","","90","","4060.9","1.8","360","2","360","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-anthracenyl-1,2,3,5-dithiadiazolyl","","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C180 H108 N24 S24 -","12","3","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1719","0.0852","","","0.1532","0.1999","","","","","","1.063","","","","has coordinates","221252","2020-10-21","18:00:00",""
"4128126","10.7397","0.0013","14.859","0.002","24.974","0.003","90","","90","","90","","3985.4","0.9","310","2","310","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Anthracenyl-1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C180 H108 N24 S24 -","12","3","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1522","0.09","","","0.207","0.253","","","","","","1.057","","","","has coordinates","221256","2020-10-21","18:00:00",""
"4128127","10.7459","0.0011","14.8885","0.0018","25.019","0.003","90","","90","","90","","4002.8","0.8","330","2","330","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9-Anthracenyl 1,2,3,5-dithiadiazolyl","","- C15 H9 N2 S2 -","- C15 H9 N2 S2 -","- C180 H108 N24 S24 -","12","3","","Beldjoudi, Yassine; Arauzo, Ana; Campo, Javier; Gavey, Emma L.; Pilkington, Melanie; Nascimento, Mitchell A.; Rawson, Jeremy M.","Structural, Magnetic, and Optical Studies of the Polymorphic 9'-Anthracenyl Dithiadiazolyl Radical.","Journal of the American Chemical Society","2019","141","17","6875","6889","10.1021/jacs.8b11528","","","0.71073","MoKα","","0.1534","0.0869","","","0.2114","0.2636","","","","","","1.073","","","","has coordinates","221257","2020-10-21","18:00:00",""
"4128136","14.9811","0.0002","16.4506","0.0003","17.9869","0.0003","90","","90","","90","","4432.84","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H74 Al2 P4 Si4 -","- C34 H74 Al2 P4 Si4 -","- C136 H296 Al8 P16 Si16 -","4","1","","Du, Shanshan; Yang, Jimin; Hu, Jingyuan; Chai, Zhengqi; Luo, Gen; Luo, Yi; Zhang, Wen-Xiong; Xi, Zhenfeng","Direct Functionalization of White Phosphorus to Cyclotetraphosphanes: Selective Formation of Four P-C Bonds.","Journal of the American Chemical Society","2019","141","17","6843","6847","10.1021/jacs.9b02628","","x-ray","0.71073","MoKα","","0.0831","0.0779","","","0.2042","0.2104","","","","","","1.061","","","","has coordinates,has disorder","221264","2020-10-21","18:00:00",""
"4128141","9.2434","0.0014","9.3503","0.0013","15.9876","0.0018","90","","90","","90","","1381.8","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Fe N4 -","- C16 H14 Fe N4 -","- C64 H56 Fe4 N16 -","4","1","","López-Cabrelles, Javier; Romero, Jorge; Abellán, Gonzalo; Giménez-Marqués, Mónica; Palomino, Miguel; Valencia, Susana; Rey, Fernando; Mínguez Espallargas, Guillermo","Solvent-Free Synthesis of ZIFs: A Route toward the Elusive Fe(II) Analogue of ZIF-8.","Journal of the American Chemical Society","2019","141","17","7173","7180","10.1021/jacs.9b02686","","x-ray","0.71073","MoKα","","0.0574","0.0554","","","0.1323","0.1368","","","","","","1.065","","","","has coordinates","221267","2020-10-21","18:00:00",""
"4128159","9.217","0.0003","12.9842","0.0004","17.6732","0.0006","90","","90","","90","","2115.05","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MLH-B1-115","sarpong135","","- C26 H28 N2 O -","- C26 H28 N2 O -","- C104 H112 N8 O4 -","4","1","","Johnson, Rebecca E.; Ree, Hwisoo; Hartmann, Marco; Lang, Laura; Sawano, Shota; Sarpong, Richmond","Total Synthesis of Pentacyclic (-)-Ambiguine P Using Sequential Indole Functionalizations.","Journal of the American Chemical Society","2019","141","6","2233","2237","10.1021/jacs.8b13388","","","1.54178","CuKα","","0.046","0.0402","","","0.1002","0.1044","","","","","","1.027","","","","has coordinates","221290","2020-10-21","18:00:00",""
"4128169","7.7102","0.0002","12.109","0.0004","15.8056","0.0005","90","","90","","90","","1475.66","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","McLaughlin, Michael F.; Massolo, Elisabetta; Liu, Shubin; Johnson, Jeffrey S.","Enantioselective Phenolic α-Oxidation Using H<sub>2</sub>O<sub>2</sub> via an Unusual Double Dearomatization Mechanism.","Journal of the American Chemical Society","2019","141","6","2645","2651","10.1021/jacs.8b13006","","","1.54178","CuKα","","0.0284","0.0283","","","0.0933","0.0935","","","","","","0.932","","","","has coordinates","221307","2020-10-21","18:00:00",""
"4128180","15.605","0.002","16.467","0.002","25.342","0.004","90","","90","","90","","6512.1","1.5","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Cl F5 N2 O2 Ru S -","- C30 H28 Cl F5 N2 O2 Ru S -","- C240 H224 Cl8 F40 N16 O16 Ru8 S8 -","8","2","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.0296","0.0282","","","0.0594","0.0602","","","","","","1.095","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128182","15.499","0.003","16.632","0.004","25.507","0.005","90","","90","","90","","6575","2","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl F4 N3 O2 Ru S -","- C30 H30 Cl F4 N3 O2 Ru S -","- C240 H240 Cl8 F32 N24 O16 Ru8 S8 -","8","2","","Dub, Pavel A.; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Cleavage of N-H Bond of Ammonia via Metal-Ligand Cooperation Enables Rational Design of a Conceptually New Noyori-Ikariya Catalyst.","Journal of the American Chemical Society","2019","141","6","2661","2677","10.1021/jacs.8b12961","","","0.71075","MoKα","","0.1383","0.0996","","","0.2","0.2259","","","","","","1.05","","","","has coordinates","221316","2020-10-21","18:00:00",""
"4128244","10.5145","0.0002","12.1928","0.0003","29.5112","0.0007","90","","90","","90","","3783.37","0.15","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F3 N2 -","- C22 H19 F3 N2 -","- C176 H152 F24 N16 -","8","2","","Kwon, Yongseok; Li, Junqi; Reid, Jolene P.; Crawford, Jennifer M.; Jacob, Roxane; Sigman, Matthew S.; Toste, F. Dean; Miller, Scott J.","Disparate Catalytic Scaffolds for Atroposelective Cyclodehydration.","Journal of the American Chemical Society","2019","141","16","6698","6705","10.1021/jacs.9b01911","","","1.54184","CuKα","","0.037","0.0323","","","0.0769","0.0798","","","","","","1.052","","","","has coordinates","221369","2020-10-21","18:00:00",""
"4128260","7.937","0.002","12.188","0.004","26.58","0.008","90","","90","","90","","2571.2","1.3","110","2","110","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Br F6 Mn N4 O3 P -","- C22 H23 Br F6 Mn N4 O3 P -","- C88 H92 Br4 F24 Mn4 N16 O12 P4 -","4","1","","Sung, Siyoung; Li, Xiaohui; Wolf, Lucienna M.; Meeder, Jeremy R.; Bhuvanesh, Nattamai S.; Grice, Kyle A.; Panetier, Julien A.; Nippe, Michael","Synergistic Effects of Imidazolium-Functionalization on fac-Mn(CO)<sub>3</sub> Bipyridine Catalyst Platforms for Electrocatalytic Carbon Dioxide Reduction.","Journal of the American Chemical Society","2019","141","16","6569","6582","10.1021/jacs.8b13657","","","0.71073","MoKα","","0.0506","0.0377","","","0.0758","0.0804","","","","","","1.021","","","","has coordinates,has disorder","221382","2020-10-21","18:00:00",""
"4128271","9.7647","0.0018","10.1799","0.0019","18.091","0.003","90","","90","","90","","1798.3","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O S -","- C19 H28 O S -","- C76 H112 O4 S4 -","4","1","","Liu, Zong-Ying; Hu, Jiun-Wei; Huang, Chun-Hao; Huang, Teng-Hsing; Chen, Deng-Gao; Ho, Ssu-Yu; Chen, Kew-Yu; Li, Elise Y.; Chou, Pi-Tai","Sulfur-Based Intramolecular Hydrogen-Bond: Excited-State Hydrogen-Bond On/Off Switch with Dual Room-Temperature Phosphorescence.","Journal of the American Chemical Society","2019","141","25","9885","9894","10.1021/jacs.9b02765","","x-ray","0.71073","MoKα","","0.109","0.0916","","","0.2462","0.2727","","","","","","1.084","","","","has coordinates","221393","2020-10-21","18:00:00",""
"4128283","9.3291","0.0003","18.9635","0.0005","23.1474","0.0006","90","","90","","90","","4095.1","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C51 H65 N3 -","- C51 H65 N3 -","- C204 H260 N12 -","4","1","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0649","0.0481","","","0.1146","0.1233","","","","","","1.014","","","","has coordinates","221405","2020-10-21","18:00:00",""
"4128285","18.3658","0.0004","18.8888","0.0004","19.5947","0.0005","90","","90","","90","","6797.6","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H54 N P -","- C39 H54 N P -","- C312 H432 N8 P8 -","8","2","","Tolentino, Daniel R.; Neale, Samuel E.; Isaac, Connie J.; Macgregor, Stuart A.; Whittlesey, Michael K.; Jazzar, Rodolphe; Bertrand, Guy","Reductive Elimination at Carbon under Steric Control.","Journal of the American Chemical Society","2019","141","25","9823","9826","10.1021/jacs.9b04957","","x-ray","1.54178","CuKα","","0.0546","0.0459","","","0.1133","0.1188","","","","","","0.998","","","","has coordinates","221407","2020-10-21","18:00:00",""
"4128296","4.8537","0.0009","7.4768","0.0015","50.879","0.011","90","","90","","90","","1846.4","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O5 -","- C23 H23 N O5 -","- C92 H92 N4 O20 -","4","1","","Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli","Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.","Journal of the American Chemical Society","2019","141","25","9946","9954","10.1021/jacs.9b03502","","","0.71073","MoKα","","0.1775","0.0947","","","0.2033","0.2466","","","","","","1.061","","","","has coordinates","221418","2020-10-21","18:00:00",""
"4128305","7.8236","0.0002","14.7618","0.0004","24.4735","0.0007","90","","90","","90","","2826.45","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Cl4 N Ru -","- C30 H31 Cl4 N Ru -","- C120 H124 Cl16 N4 Ru4 -","4","1","","Li, Zhong-Yuan; Lakmal, Hetti Handi Chaminda; Qian, Xiaolin; Zhu, Zhenyu; Donnadieu, Bruno; McClain, Sarah J.; Xu, Xue; Cui, Xin","Ruthenium-Catalyzed Enantioselective C-H Functionalization: A Practical Access to Optically Active Indoline Derivatives.","Journal of the American Chemical Society","2019","141","40","15730","15736","10.1021/jacs.9b07251","","","1.54178","CuKα","","0.0374","0.0309","","","0.0607","0.0625","","","","","","1.019","","","","has coordinates","221428","2020-10-21","18:00:00",""
"4128313","9.1575","0.0004","9.248","0.0004","19.2789","0.0008","90","","90","","90","","1632.7","0.12","120","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Min, Long; Lin, Xiaohong; Li, Chuang-Chuang","Asymmetric Total Synthesis of (-)-Vinigrol.","Journal of the American Chemical Society","2019","141","40","15773","15778","10.1021/jacs.9b08983","","x-ray","1.54178","CuKα","","0.0302","0.0298","","","0.0737","0.0741","","","","","","1.139","","","","has coordinates","221436","2020-10-21","18:00:00",""
"4128339","7.9241","0.0007","9.4871","0.0009","16.0357","0.0014","90","","90","","90","","1205.51","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl2 N O3 -","- C11 H11 Cl2 N O3 -","- C44 H44 Cl8 N4 O12 -","4","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0219","0.0218","","","0.0561","0.0562","","","","","","1.068","","","","has coordinates","221462","2020-10-21","18:00:00",""
"4128340","5.7046","0.0003","7.4441","0.0004","35.724","0.002","90","","90","","90","","1517.04","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br F O3 -","- C17 H16 Br F O3 -","- C68 H64 Br4 F4 O12 -","4","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0445","0.0444","","","0.1143","0.1144","","","","","","1.3","","","","has coordinates","221463","2020-10-21","18:00:00",""
"4128341","5.3574","0.0002","9.2902","0.0004","28.0903","0.001","90","","90","","90","","1398.09","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 F4 N3 O -","- C14 H13 F4 N3 O -","- C56 H52 F16 N12 O4 -","4","1","","Fager, Diana C.; Lee, KyungA; Hoveyda, Amir H.","Catalytic Enantioselective Addition of an Allyl Group to Ketones Containing a Tri-, a Di-, or a Monohalomethyl Moiety. Stereochemical Control Based on Distinctive Electronic and Steric Attributes of C-Cl, C-Br, and C-F Bonds.","Journal of the American Chemical Society","2019","141","40","16125","16138","10.1021/jacs.9b08443","","","1.54178","CuKα","","0.0285","0.0278","","","0.075","0.0755","","","","","","1.053","","","","has coordinates","221464","2020-10-21","18:00:00",""
"4128367","12.233","0.0001","18.2364","0.0001","19.0123","0.0001","90","","90","","90","","4241.38","0.05","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H45 B Cl Ir N2 O Si -","- C38 H45 B Cl Ir N2 O Si -","- C152 H180 B4 Cl4 Ir4 N8 O4 Si4 -","4","1","","Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ?","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp<sup>2</sup>)-H Borylation of Diarylmethylamines.","Journal of the American Chemical Society","2019","141","13","5334","5342","10.1021/jacs.8b13756","","x-ray","1.54184","CuKα","","0.0449","0.0444","","","0.1111","0.1115","","","","","","1.004","","","","has coordinates","221490","2020-10-21","18:00:00",""
"4128368","7.4113","0.0002","9.563","0.0002","18.357","0.0005","90","","90","","90","","1301.04","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Zou, Xiaoliang; Zhao, Haonan; Li, Yinwu; Gao, Qian; Ke, Zhuofeng; Senmiao Xu, ?","Chiral Bidentate Boryl Ligand Enabled Iridium-Catalyzed Asymmetric C(sp<sup>2</sup>)-H Borylation of Diarylmethylamines.","Journal of the American Chemical Society","2019","141","13","5334","5342","10.1021/jacs.8b13756","","x-ray","1.54184","CuKα","","0.0383","0.0337","","","0.0867","0.0894","","","","","","1.001","","","","has coordinates","221491","2020-10-21","18:00:00",""
"4128371","9.2478","0.0001","9.9984","0.0001","17.5641","0.0001","90","","90","","90","","1624.03","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Holt, Connor; Alachouzos, Georgios; Frontier, Alison J.","Leveraging the Halo-Nazarov Cyclization for the Chemodivergent Assembly of Functionalized Haloindenes and Indanones.","Journal of the American Chemical Society","2019","141","13","5461","5469","10.1021/jacs.9b00198","","x-ray","1.54184","CuKα","","0.0294","0.0291","","","0.0744","0.075","","","","","","1.05","","","","has coordinates","221494","2020-10-21","18:00:00",""
"4128372","13.8662","0.0003","17.1025","0.0003","19.5603","0.0004","90","","90","","90","","4638.66","0.16","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","LCuOArH","LCuOArH","","- C45 H62 Cu N4 O3 -","- C45 H62 Cu N4 O3 -","- C180 H248 Cu4 N16 O12 -","4","1","","Bailey, Wilson D.; Dhar, Debanjan; Cramblitt, Anna C.; Tolman, William B.","Mechanistic Dichotomy in Proton-Coupled Electron-Transfer Reactions of Phenols with a Copper Superoxide Complex.","Journal of the American Chemical Society","2019","141","13","5470","5480","10.1021/jacs.9b00466","","","1.54178","CuKα","","0.0259","0.0258","","","0.0685","0.0687","","","","","","1.204","","","","has coordinates","221495","2020-10-21","18:00:00",""
"4128383","5.4657","0.0002","13.2961","0.0005","25.2012","0.0011","90","","90","","90","","1831.43","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N3 O -","- C21 H20 Br N3 O -","- C84 H80 Br4 N12 O4 -","4","1","","Liu, En-Chih; Topczewski, Joseph J.","Enantioselective Copper Catalyzed Alkyne-Azide Cycloaddition by Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2019","141","13","5135","5138","10.1021/jacs.9b01091","","","0.71073","MoKα","","0.0342","0.0286","","","0.0589","0.0607","","","","","","1.023","","","","has coordinates","221504","2020-10-21","18:00:00",""
"4128384","18.6122","0.0004","22.6992","0.0004","27.114","0.0005","90","","90","","90","","11455.2","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O7 S Si -","- C25 H38 O7 S Si -","- C400 H608 O112 S16 Si16 -","16","4","","Dimakos, Victoria; Su, Hsin Y.; Garrett, Graham E.; Taylor, Mark S.","Site-Selective and Stereoselective C-H Alkylations of Carbohydrates via Combined Diarylborinic Acid and Photoredox Catalysis.","Journal of the American Chemical Society","2019","141","13","5149","5153","10.1021/jacs.9b01531","","","1.54178","CuKα","","0.0779","0.0674","","","0.1855","0.199","","","","","","1.007","","","","has coordinates,has disorder","221505","2020-10-21","18:00:00",""
"4128394","9.5175","0.0001","10.2604","0.0001","22.887","0.0003","90","","90","","90","","2234.99","0.04","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl N O4 -","- C23 H24 Cl N O4 -","- C92 H96 Cl4 N4 O16 -","4","1","","Lin, Hua-Chen; Xie, Pei-Pei; Dai, Zhen-Yao; Zhang, Shuo-Qing; Wang, Pu-Sheng; Chen, Yu-Gen; Wang, Tian-Ci; Hong, Xin; Gong, Liu-Zhu","Nucleophile-Dependent Z/ E- and Regioselectivity in the Palladium-Catalyzed Asymmetric Allylic C-H Alkylation of 1,4-Dienes.","Journal of the American Chemical Society","2019","141","14","5824","5834","10.1021/jacs.8b13582","","","1.54184","CuKα","","0.0339","0.0327","","","0.0896","0.0911","","","","","","1.035","","","","has coordinates","221515","2020-10-21","18:00:00",""
"4128395","5.4588","0.00013","10.6465","0.0003","21.7635","0.0006","90","","90","","90","","1264.83","0.06","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","1.54184","CuKα","","0.0368","0.0331","","","0.0829","0.086","","","","","","1.074","","","","has coordinates","221516","2020-10-21","18:00:00",""
"4128402","9.9249","0.0002","12.0314","0.0003","25.6817","0.0006","90","","90","","90","","3066.66","0.12","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Co I2 O3 -","- C34 H31 Co I2 O3 -","- C136 H124 Co4 I8 O12 -","4","1","","Ozols, Kristers; Jang, Yun-Suk; Cramer, Nicolai","Chiral Cyclopentadienyl Cobalt(III) Complexes Enable Highly Enantioselective 3d-Metal-Catalyzed C-H Functionalizations.","Journal of the American Chemical Society","2019","141","14","5675","5680","10.1021/jacs.9b02569","","x-ray","0.71073","MoKα","","0.0438","0.0345","","","0.069","0.0733","","","","","","1.06","","","","has coordinates","221524","2020-10-21","18:00:00",""
"4128404","7.5991","0.0015","9.5866","0.0019","20.193","0.004","90","","90","","90","","1471.1","0.5","100","2","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Mn N9 -","- C10 H20 Mn N9 -","- C40 H80 Mn4 N36 -","4","1","","Vaddypally, Shivaiah; Tomlinson, Warren; O'Sullivan, Owen T; Ding, Ran; Van Vliet, Megan M.; Wayland, Bradford B.; Hooper, Joseph P.; Zdilla, Michael J.","Activation of C-H, N-H, and O-H Bonds via Proton-Coupled Electron Transfer to a Mn(III) Complex of Redox-Noninnocent Octaazacyclotetradecadiene, a Catenated-Nitrogen Macrocyclic Ligand.","Journal of the American Chemical Society","2019","141","14","5699","5709","10.1021/jacs.8b10250","","","0.71073","MoKα","","0.0455","0.0418","","","0.1078","0.1099","","","","","","1.088","","","","has coordinates","221526","2020-10-21","18:00:00",""
"4128412","6.606","0.0001","12.0607","0.0002","31.8122","0.0008","90","","90","","90","","2534.57","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35.5 Br N3 O3.75 -","- C23 H35.5 Br N3 O3.75 -","- C92 H142 Br4 N12 O15 -","4","1","","Combes, Sébastien; Tran, Khoa Truong; Ayhan, Mehmet Menaf; Karoui, Hakim; Rockenbauer, Antal; Tonetto, Alain; Monnier, Valérie; Charles, Laurence; Rosas, Roselyne; Viel, Stéphane; Siri, Didier; Tordo, Paul; Clair, Sylvain; Wang, Ruibing; Bardelang, David; Ouari, Olivier","Triangular Regulation of Cucurbit[8]uril 1:1 Complexes.","Journal of the American Chemical Society","2019","141","14","5897","5907","10.1021/jacs.9b00150","","","0.71073","MoKα","","0.0842","0.0525","","","0.1176","0.1481","","","","","","1.154","","","","has coordinates","221532","2020-10-21","18:00:00",""
"4128437","9.8763","0.0017","15.381","0.003","15.448","0.003","90","","90","","90","","2346.7","0.8","115","","115","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 O2 -","- C27 H42 O2 -","- C108 H168 O8 -","4","1","","Liu, Xin; Liu, Junyang; Wu, Jianlei; Huang, Guocheng; Liang, Rong; Chung, Lung Wa; Li, Chuang-Chuang","Asymmetric Total Synthesis of Cerorubenic Acid-III.","Journal of the American Chemical Society","2019","141","7","2872","2877","10.1021/jacs.8b12647","","","0.71073","MoKα","","0.0431","0.039","","","0.0878","0.0897","","","","","","1.087","","","","has coordinates","221541","2020-10-21","18:00:00",""
"4128459","6.4263","0.0003","12.1889","0.0006","24.4609","0.0013","90","","90","","90","","1916.01","0.17","100","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O2 S -","- C25 H19 N O2 S -","- C100 H76 N4 O8 S4 -","4","1","","Bertuzzi, Giulio; Thøgersen, Mathias Kirk; Giardinetti, Maxime; Vidal-Albalat, Andreu; Simon, Adam; Houk, K. N.; Jørgensen, Karl Anker","Catalytic Enantioselective Hetero-[6+4] and -[6+2] Cycloadditions for the Construction of Condensed Polycyclic Pyrroles, Imidazoles, and Pyrazoles.","Journal of the American Chemical Society","2019","141","7","3288","3297","10.1021/jacs.8b13659","","","0.56086","AgKα","","0.0606","0.046","","","0.0895","0.0973","","","","","","1.0516","","","","has coordinates","221563","2020-10-21","18:00:00",""
"4128460","7.5553","0.0002","13.0406","0.0003","14.8215","0.0003","90","","90","","90","","1460.3","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_4_100","maimone68","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.03","0.0293","","","0.0765","0.0774","","","","","","1.042","","","","has coordinates","221564","2020-10-21","18:00:00",""
"4128461","6.7812","0.0003","11.9069","0.0005","16.4542","0.0007","90","","90","","90","","1328.56","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_4_145_2","maimone69","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0308","0.0292","","","0.0767","0.0779","","","","","","1.067","","","","has coordinates","221565","2020-10-21","18:00:00",""
"4128462","6.83561","0.00004","15.11333","0.00009","30.94568","0.00018","90","","90","","90","","3196.96","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 Cl3 O5 -","- C33 H47 Cl3 O5 -","- C132 H188 Cl12 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54184","CuKα","","0.0488","0.0483","","","0.1394","0.1398","","","","","","1.056","","","","has coordinates","221566","2020-10-21","18:00:00",""
"4128464","7.42853","0.00007","12.26292","0.00011","16.19471","0.00013","90","","90","","90","","1475.26","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O4 S -","- C15 H23 N O4 S -","- C60 H92 N4 O16 S4 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","x-ray","1.54184","CuKα","","0.0264","0.0263","","","0.07","0.07","","","","","","1.02","","","","has coordinates","221568","2020-10-21","18:00:00",""
"4128468","7.7264","0.0003","11.6672","0.0005","15.5282","0.0006","90","","90","","90","","1399.8","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","KH_2_Cl","maimone46","","- C15 H21 Cl O4 -","- C15 H21 Cl O4 -","- C60 H84 Cl4 O16 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","0.71073","MoKα","","0.0273","0.0256","","","0.0628","0.0639","","","","","","1.064","","","","has coordinates","221572","2020-10-21","18:00:00",""
"4128469","7.0086","0.0006","13.265","0.0014","14.9026","0.0014","90","","90","","90","","1385.5","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","KH_4_256","maimone71","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54178","CuKα","","0.0392","0.0358","","","0.0871","0.0903","","","","","","1.064","","","","has coordinates","221573","2020-10-21","18:00:00",""
"4128471","11.9151","0.0001","11.956","0.0001","12.2289","0.0001","90","","90","","90","","1742.09","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O8 -","- C18 H20 O8 -","- C72 H80 O32 -","4","1","","Hung, Kevin; Condakes, Matthew L.; Novaes, Luiz F. T.; Harwood, Stephen J.; Morikawa, Takahiro; Yang, Zhi; Maimone, Thomas J.","Development of a Terpene Feedstock-Based Oxidative Synthetic Approach to the Illicium Sesquiterpenes.","Journal of the American Chemical Society","2019","141","7","3083","3099","10.1021/jacs.8b12247","","","1.54184","CuKα","","0.0291","0.029","","","0.0766","0.0767","","","","","","1.048","","","","has coordinates","221575","2020-10-21","18:00:00",""
"4128515","5.41264","0.00014","5.942","0.00014","26.9046","0.0006","90","","90","","90","","865.3","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Xing, Qi; Chan, Chun-Ming; Yeung, Yiu-Wai; Yu, Wing-Yiu","Ruthenium(II)-Catalyzed Enantioselective γ-Lactams Formation by Intramolecular C-H Amidation of 1,4,2-Dioxazol-5-ones.","Journal of the American Chemical Society","2019","141","9","3849","3853","10.1021/jacs.9b00535","","x-ray","1.54184","CuKα","","0.036","0.0358","","","0.0928","0.093","","","","","","1.068","","","","has coordinates","221597","2020-10-21","18:00:00",""
"4128516","8.3615","0.0002","19.6695","0.0005","21.2939","0.0005","90","","90","","90","","3502.13","0.15","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","2","","Dong, Liao-Bin; Zhang, Xiao; Rudolf, Jeffrey D.; Deng, Ming-Rong; Kalkreuter, Edward; Cepeda, Alexis J.; Renata, Hans; Shen, Ben","Cryptic and Stereospecific Hydroxylation, Oxidation, and Reduction in Platensimycin and Platencin Biosynthesis.","Journal of the American Chemical Society","2019","141","9","4043","4050","10.1021/jacs.8b13452","","","0.71073","MoKα","","0.0449","0.0391","","","0.1001","0.1054","","","","","","1.051","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4128541","9.093","0.002","19.7","0.005","21.859","0.005","90","","90","","90","","3915.6","1.6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H28 Cl6 O6 -","- C45 H28 Cl6 O6 -","- C180 H112 Cl24 O24 -","4","1","","Takaishi, Kazuto; Hinoide, Sakiko; Matsumoto, Tomoki; Ema, Tadashi","Axially Chiral <i>peri</i>-Xanthenoxanthenes as a Circularly Polarized Luminophore.","Journal of the American Chemical Society","2019","141","30","11852","11857","10.1021/jacs.9b06240","","","0.71075","MoKα","","0.07","0.0597","","","0.148","0.1568","","","","","","1.04","","","","has coordinates","221622","2020-10-21","18:00:00",""
"4128559","8.3359","0.0004","11.5375","0.0005","11.8279","0.0005","90","","90","","90","","1137.55","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 N4 O4 -","- C9 H16 N4 O4 -","- C36 H64 N16 O16 -","4","1","","Zhang, Weicheng; Pal, Ayan; Ricardo, Alonso; Szostak, Jack W.","Template-Directed Nonenzymatic Primer Extension Using 2-Methylimidazole-Activated Morpholino Derivatives of Guanosine and Cytidine.","Journal of the American Chemical Society","2019","141","30","12159","12166","10.1021/jacs.9b06453","","","1.54178","CuKα","","0.0234","0.0233","","","0.0612","0.0613","","","","","","1.073","","","","has coordinates","221639","2020-10-21","18:00:00",""
"4128596","10.449","0.0004","19.9438","0.001","23.4389","0.0012","90","","90","","90","","4884.5","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C192 H216 N24 O84 -","12","3","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0279","0.0256","","","0.0652","0.0663","","","","","","1.029","","","","has coordinates","221676","2020-10-21","18:00:00",""
"4128597","7.9095","0.0003","12.5033","0.0005","16.0063","0.0006","90","","90","","90","","1582.94","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O5 -","- C16 H18 Cl N O5 -","- C64 H72 Cl4 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0434","0.0329","","","0.0729","0.0768","","","","","","1.015","","","","has coordinates","221677","2020-10-21","18:00:00",""
"4128598","8.4176","0.0004","16.5025","0.0009","25.2215","0.0014","90","","90","","90","","3503.6","0.3","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","2","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0509","0.0454","","","0.106","0.109","","","","","","1.038","","","","has coordinates,has disorder","221678","2020-10-21","18:00:00",""
"4128599","7.7728","0.0004","10.0844","0.0004","19.1537","0.0009","90","","90","","90","","1501.34","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0259","0.0242","","","0.0633","0.0642","","","","","","1.028","","","","has coordinates","221679","2020-10-21","18:00:00",""
"4128600","7.9491","0.0005","12.798","0.0008","15.8009","0.0011","90","","90","","90","","1607.47","0.18","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O5 -","- C16 H18 Br N O5 -","- C64 H72 Br4 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.027","0.02","","","0.0487","0.0503","","","","","","1.026","","","","has coordinates","221681","2020-10-21","18:00:00",""
"4128605","8.0194","0.0004","12.4357","0.0007","16.2639","0.0009","90","","90","","90","","1621.95","0.15","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0247","0.0243","","","0.0642","0.0646","","","","","","1.038","","","","has coordinates,has disorder","221686","2020-10-21","18:00:00",""
"4128606","10.1253","0.0004","16.2847","0.0007","34.7577","0.0014","90","","90","","90","","5731.1","0.4","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H73 Cu F3 N2 O10 S -","- C59 H73 Cu F3 N2 O10 S -","- C236 H292 Cu4 F12 N8 O40 S4 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","0.71073","MoKα","","0.0887","0.0537","","","0.1069","0.1157","","","","","","1.039","","","","has coordinates,has disorder","221687","2020-10-21","18:00:00",""
"4128608","9.4138","0.0003","9.5283","0.0003","18.5945","0.0005","90","","90","","90","","1667.88","0.09","135","2","135","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Willig, Felix; Lang, Johannes; Hans, Andreas C.; Ringenberg, Mark R.; Pfeffer, Daniel; Frey, Wolfgang; Peters, René","Polyfunctional Imidazolium Aryloxide Betaine/Lewis Acid Catalysts as Tools for the Asymmetric Synthesis of Disfavored Diastereomers.","Journal of the American Chemical Society","2019","141","30","12029","12043","10.1021/jacs.9b04902","","","1.54178","CuKα","","0.0278","0.0263","","","0.0668","0.0679","","","","","","1.035","","","","has coordinates","221689","2020-10-21","18:00:00",""
"4128614","10.3435","0.0003","16.9247","0.0006","18.366","0.0007","90","","90","","90","","3215.16","0.19","200","2","200.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cl14 Mn N4 Pb4 -","- C10 H28 Cl14 Mn N4 Pb4 -","- C40 H112 Cl56 Mn4 N16 Pb16 -","4","1","","Peng, Yu; Li, Lina; Ji, Chengmin; Wu, Zhenyue; Wang, Sasa; Liu, Xitao; Yao, Yunpeng; Luo, Junhua","Tailored Synthesis of an Unprecedented Pb-Mn Heterometallic Halide Hybrid with Enhanced Emission.","Journal of the American Chemical Society","2019","141","31","12197","12201","10.1021/jacs.9b04829","","","0.71073","MoKα","","0.0576","0.0475","","","0.1145","0.1255","","","","","","1.014","","","","has coordinates","221695","2020-10-21","18:00:00",""
"4128622","6.9593","0.0001","7.4662","0.0001","24.7555","0.0002","90","","90","","90","","1286.28","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl N -","- C14 H16 Cl N -","- C56 H64 Cl4 N4 -","4","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0254","0.0249","","","0.0658","0.0661","","","","","","1.079","","","","has coordinates","221703","2020-10-21","18:00:00",""
"4128626","6.2187","0.0002","7.2638","0.0002","27.5254","0.0007","90","","90","","90","","1243.36","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C52 H56 Cl4 N4 O4 -","4","1","","Sandmeier, Tobias; Goetzke, F. Wieland; Krautwald, Simon; Carreira, Erick M.","Iridium-Catalyzed Enantioselective Allylic Substitution with Aqueous Solutions of Nucleophiles.","Journal of the American Chemical Society","2019","141","31","12212","12218","10.1021/jacs.9b05830","","x-ray","1.54184","CuKα","","0.0729","0.0667","","","0.201","0.2104","","","","","","1.09","","","","has coordinates,has disorder","221707","2020-10-21","18:00:00",""
"4128687","7.3844","0.0001","11.767","0.0003","24.0742","0.0005","90","","90","","90","","2091.86","0.07","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 F Ge N -","- C23 H30 F Ge N -","- C92 H120 F4 Ge4 N4 -","4","1","","Xu, Meng-Yu; Jiang, Wei-Tao; Li, Ying; Xu, Qing-Hao; Zhou, Qiao-Lan; Yang, Shuo; Xiao, Bin","Alkyl Carbagermatranes Enable Practical Palladium-Catalyzed sp<sup>2</sup>-sp<sup>3</sup> Cross-Coupling.","Journal of the American Chemical Society","2019","141","18","7582","7588","10.1021/jacs.9b02776","","","1.54184","CuKα","","0.0444","0.0398","","","0.0976","0.1015","","","","","","1.053","","","","has coordinates","221768","2020-10-21","18:00:00",""
"4128688","8.5255","0.0006","10.9187","0.0009","26.122","0.003","90","","90","","90","","2431.6","0.4","295.6","0.2","295.6","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N O3 S -","- C28 H29 N O3 S -","- C112 H116 N4 O12 S4 -","4","1","","Tian, Zhi-Xiong; Qiao, Jin-Bao; Xu, Guang-Li; Pang, Xiaobo; Qi, Liangliang; Ma, Wei-Yuan; Zhao, Zhen-Zhen; Duan, Jicheng; Du, Yun-Fei; Su, Peifeng; Liu, Xue-Yuan; Shu, Xing-Zhong","Highly Enantioselective Cross-Electrophile Aryl-Alkenylation of Unactivated Alkenes.","Journal of the American Chemical Society","2019","141","18","7637","7643","10.1021/jacs.9b03863","","","1.54184","CuKα","","0.1101","0.073","","","0.1894","0.2606","","","","","","1.121","","","","has coordinates","221769","2020-10-21","18:00:00",""
"4128752","9.1874","0.0002","13.9904","0.0002","20.1638","0.0003","90","","90","","90","","2591.76","0.08","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11.5 H15.5 Cl1.5 O4.5 -","- C11.5 H15.5 Cl1.5 O4.5 -","- C92 H124 Cl12 O36 -","8","2","","Schuppe, Alexander W.; Zhao, Yizhou; Liu, Yannan; Newhouse, Timothy R.","Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion.","Journal of the American Chemical Society","2019","141","23","9191","9196","10.1021/jacs.9b04508","","","1.54184","CuKα","","0.0353","0.0329","","","0.0827","0.0842","","","","","","1.053","","","","has coordinates","221822","2020-10-21","18:00:00",""
"4128754","6.0064","0.0001","12.4392","0.0002","16.1835","0.0003","90","","90","","90","","1209.15","0.04","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Schuppe, Alexander W.; Zhao, Yizhou; Liu, Yannan; Newhouse, Timothy R.","Total Synthesis of (+)-Granatumine A and Related Bislactone Limonoid Alkaloids via a Pyran to Pyridine Interconversion.","Journal of the American Chemical Society","2019","141","23","9191","9196","10.1021/jacs.9b04508","","","1.54184","CuKα","","0.0241","0.0241","","","0.0634","0.0634","","","","","","1.047","","","","has coordinates","221824","2020-10-21","18:00:00",""
"4128756","6.2765","0.0001","11.7617","0.0002","28.306","0.0004","90","","90","","90","","2089.61","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 Si -","- C20 H35 N O3 Si -","- C80 H140 N4 O12 Si4 -","4","1","","Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond","Calyciphylline B-Type Alkaloids: Total Syntheses of (-)-Daphlongamine H and (-)-Isodaphlongamine H.","Journal of the American Chemical Society","2019","141","21","8431","8435","10.1021/jacs.9b03576","","","1.54184","CuKα","","0.0373","0.0354","","","0.0933","0.0948","","","","","","1.095","","","","has coordinates","221826","2020-10-21","18:00:00",""
"4128758","5.89374","0.00002","26.1462","0.00008","26.91187","0.00008","90","","90","","90","","4147.09","0.02","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H50 N2 O13 S -","- C43 H50 N2 O13 S -","- C172 H200 N8 O52 S4 -","4","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","x-ray","1.54184","CuKα","","0.0254","0.0251","","","0.0641","0.0643","","","","","","1.044","","","","has coordinates","221828","2020-10-21","18:00:00",""
"4128759","7.62899","0.00005","8.62984","0.00004","47.2575","0.0002","90","","90","","90","","3111.29","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N4 O13 S2 -","- C27 H36 N4 O13 S2 -","- C108 H144 N16 O52 S8 -","4","1","","Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian","Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars.","Journal of the American Chemical Society","2019","141","21","8509","8515","10.1021/jacs.9b01862","","x-ray","1.54184","CuKα","","0.0218","0.0217","","","0.0563","0.0564","","","","","","1.054","","","","has coordinates","221829","2020-10-21","18:00:00",""
"4128777","7.2319","0.0006","16.6606","0.0015","19.395","0.0017","90","","90","","90","","2336.9","0.4","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F3 N2 O3 P S -","- C23 H24 F3 N2 O3 P S -","- C92 H96 F12 N8 O12 P4 S4 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0427","0.0339","","","0.0754","0.0796","","","","","","1.015","","","","has coordinates","221841","2020-10-21","18:00:00",""
"4128778","8.7349","0.0007","15.7636","0.0012","19.3258","0.0015","90","","90","","90","","2661","0.4","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N2 O3 P S -","- C27 H24 F3 N2 O3 P S -","- C108 H96 F12 N8 O12 P4 S4 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0262","0.0243","","","0.0613","0.0625","","","","","","1.04","","","","has coordinates,has disorder","221842","2020-10-21","18:00:00",""
"4128779","6.4655","0.001","11.5138","0.0018","23.247","0.004","90","","90","","90","","1730.6","0.5","125","2","125","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F2 N O2 S -","- C20 H17 F2 N O2 S -","- C80 H68 F8 N4 O8 S4 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0484","0.0357","","","0.0711","0.0752","","","","","","1.018","","","","has coordinates","221843","2020-10-21","18:00:00",""
"4128780","7.8209","0.0012","14.103","0.002","22.253","0.003","90","","90","","90","","2454.5","0.6","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 F3 N2 O3 P S3 -","- C23 H20 F3 N2 O3 P S3 -","- C92 H80 F12 N8 O12 P4 S12 -","4","1","","Lundrigan, Travis; Welsh, Erin N.; Hynes, Toren; Tien, Chieh-Hung; Adams, Matt R.; Roy, Kayelani R.; Robertson, Katherine N.; Speed, Alexander W. H.","Enantioselective Imine Reduction Catalyzed by Phosphenium Ions.","Journal of the American Chemical Society","2019","141","36","14083","14088","10.1021/jacs.9b07293","","","0.71073","MoKα","","0.0348","0.03","","","0.0707","0.0731","","","","","","1.024","","","","has coordinates","221844","2020-10-21","18:00:00",""
"4128788","13.826","0.0005","20.1133","0.0008","20.2739","0.0009","90","","90","","90","","5637.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H96 Cr Li2 O13 Si4 -","- C44 H96 Cr Li2 O13 Si4 -","- C176 H384 Cr4 Li8 O52 Si16 -","4","1","","Wind, Marie-Louise; Hoof, Santina; Braun-Cula, Beatrice; Herwig, Christian; Limberg, Christian","Switching from a Chromium(IV) Peroxide to a Chromium(III) Superoxide upon Coordination of a Donor in the trans Position.","Journal of the American Chemical Society","2019","141","36","14068","14072","10.1021/jacs.9b06826","","","0.71073","MoKα","","0.0526","0.0454","","","0.1162","0.1216","","","","","","1.012","","","","has coordinates,has disorder","221852","2020-10-21","18:00:00",""
"4128793","7.8618","0.0001","17.7249","0.0003","27.6554","0.0005","90","","90","","90","","3853.77","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 N4 O4 S Si -","- C37 H48 N4 O4 S Si -","- C148 H192 N16 O16 S4 Si4 -","4","1","","Pompeo, Matthew M.; Cheah, Jaime H.; Movassaghi, Mohammad","Total Synthesis and Anti-Cancer Activity of All Known Communesin Alkaloids and Related Derivatives.","Journal of the American Chemical Society","2019","141","36","14411","14420","10.1021/jacs.9b07397","","","1.54178","CuKα","","0.0332","0.0312","","","0.0827","0.0843","","","","","","1.061","","","","has coordinates,has disorder","221857","2020-10-21","18:00:00",""
"4128794","8.1852","0.0002","30.4869","0.0007","31.5036","0.0008","90","","90","","90","","7861.5","0.3","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H45 N3 O8 -","- C39 H45 N3 O8 -","- C312 H360 N24 O64 -","8","2","","Boon, Byron A.; Boger, Dale L.","Triarylaminium Radical Cation Promoted Coupling of Catharanthine with Vindoline: Diastereospecific Synthesis of Anhydrovinblastine and Reaction Scope.","Journal of the American Chemical Society","2019","141","36","14349","14355","10.1021/jacs.9b06968","","x-ray","1.54178","CuKα","","0.0813","0.0506","","","0.1043","0.1161","","","","","","0.963","","","","has coordinates","221858","2020-10-21","18:00:00",""
"4128809","14.339","0.002","17.764","0.002","18.92","0.003","90","","90","","90","","4819.3","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H55 Ir N2 O7 P2 -","- C58 H55 Ir N2 O7 P2 -","- C232 H220 Ir4 N8 O28 P8 -","4","1","","Spielmann, Kim; Xiang, Ming; Schwartz, Leyah A.; Krische, Michael J.","Direct Conversion of Primary Alcohols to 1,2-Amino Alcohols: Enantioselective Iridium-Catalyzed Carbonyl Reductive Coupling of Phthalimido-Allene via Hydrogen Auto-Transfer.","Journal of the American Chemical Society","2019","141","36","14136","14141","10.1021/jacs.9b08715","","","0.71073","MoKα","","0.0489","0.0377","","","0.0773","0.0806","","","","","","1.024","","","","has coordinates","221874","2020-10-21","18:00:00",""
"4128870","7.2979","0.0002","12.0524","0.0004","23.9963","0.0008","90","","90","","90","","2110.65","0.11","170","2","169.94","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O3 -","- C25 H35 N O3 -","- C100 H140 N4 O12 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.0605","0.0532","","","0.1465","0.1535","","","","","","1.069","","","","has coordinates","221905","2020-10-21","18:00:00",""
"4128871","11.5553","0.0005","21.4201","0.0009","26.2735","0.0012","90","","90","","90","","6503.1","0.5","170","2","169.96","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O3 -","- C25 H35 N O3 -","- C300 H420 N12 O36 -","12","3","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.1252","0.1","","","0.2648","0.2954","","","","","","1.13","","","","has coordinates,has disorder","221906","2020-10-21","18:00:00",""
"4128872","7.1018","0.0002","13.3284","0.0003","17.4801","0.0004","90","","90","","90","","1654.59","0.07","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C76 H112 O16 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.0284","0.0276","","","0.0702","0.0708","","","","","","1.084","","","","has coordinates","221907","2020-10-21","18:00:00",""
"4128873","7.3364","0.0001","11.6884","0.0002","23.7649","0.0004","90","","90","","90","","2037.86","0.06","170","2","170.04","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O3 -","- C24 H33 N O3 -","- C96 H132 N4 O12 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.34139","GaKα","","0.0509","0.0382","","","0.078","0.0846","","","","","","1.091","","","","has coordinates","221908","2020-10-21","18:00:00",""
"4128874","7.644","0.0001","13.4193","0.0003","14.4712","0.0003","90","","90","","90","","1484.41","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Zhou, Shupeng; Xia, Kaifu; Leng, Xuebing; Li, Ang","Asymmetric Total Synthesis of Arcutinidine, Arcutinine, and Arcutine.","Journal of the American Chemical Society","2019","141","35","13718","13723","10.1021/jacs.9b05818","","","1.54178","CuKα","","0.0375","0.0356","","","0.092","0.094","","","","","","1.044","","","","has coordinates","221909","2020-10-21","18:00:00",""
"4128880","14.335","0.002","16.914","0.003","54.801","0.008","90","","90","","90","","13287","4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H39 Al2 Sc -","- C18 H39 Al2 Sc -","- C432 H936 Al48 Sc24 -","24","6","","Barisic, Damir; Diether, Dominic; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Trimethylscandium.","Journal of the American Chemical Society","2019","141","35","13931","13940","10.1021/jacs.9b06879","","","0.71073","MoKα","","0.1479","0.1006","","","0.2019","0.2232","","","","","","1.098","","","","has coordinates","221915","2020-10-21","18:00:00",""
"4128882","7.43535","0.00011","12.70493","0.00017","15.2334","0.0002","90","","90","","90","","1439.03","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Ma, Dengke; Miao, Chun-Bao; Sun, Jianwei","Catalytic Enantioselective House-Meinwald Rearrangement: Efficient Construction of All-Carbon Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","35","13783","13787","10.1021/jacs.9b07514","","x-ray","1.54184","CuKα","","0.0247","0.0243","","","0.0614","0.0617","","","","","","1.049","","","","has coordinates","221917","2020-10-21","18:00:00",""
"4128883","9.81945","0.0001","10.42071","0.00011","15.41623","0.00015","90","","90","","90","","1577.48","0.03","100.2","0.4","100.2","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 F3 O2 -","- C19 H17 F3 O2 -","- C76 H68 F12 O8 -","4","1","","Ma, Dengke; Miao, Chun-Bao; Sun, Jianwei","Catalytic Enantioselective House-Meinwald Rearrangement: Efficient Construction of All-Carbon Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","35","13783","13787","10.1021/jacs.9b07514","","x-ray","1.54184","CuKα","","0.022","0.0219","","","0.0572","0.0573","","","","","","1.019","","","","has coordinates","221918","2020-10-21","18:00:00",""
"4128905","8.605","0.004","19.697","0.007","30.793","0.012","90","","90","","90","","5219","4","100","","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C216 H252 N12 O72 -","12","3","","Zheng, Jian; Swords, Wesley B.; Jung, Hoimin; Skubi, Kazimer L.; Kidd, Jesse B.; Meyer, Gerald J.; Baik, Mu-Hyun; Yoon, Tehshik P.","Enantioselective Intermolecular Excited-State Photoreactions Using a Chiral Ir Triplet Sensitizer: Separating Association from Energy Transfer in Asymmetric Photocatalysis.","Journal of the American Chemical Society","2019","141","34","13625","13634","10.1021/jacs.9b06244","","x-ray","0.71073","MoKα","","0.0588","0.0467","","","0.1095","0.1161","","","","","","1.024","","","","has coordinates,has disorder","221941","2020-10-21","18:00:00",""
"4128917","5.843","0.0004","10.9977","0.0008","17.5865","0.0012","90","","90","","90","","1130.1","0.14","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O S -","- C12 H18 O S -","- C48 H72 O4 S4 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0251","0.0225","","","0.0569","0.058","","","","","","1.066","","","","has coordinates","221953","2020-10-21","18:00:00",""
"4128919","8.6617","0.0004","9.6496","0.0004","22.5991","0.0009","90","","90","","90","","1888.88","0.14","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Haut, Franz-Lucas; Habiger, Christoph; Speck, Klaus; Wurst, Klaus; Mayer, Peter; Korber, Johannes Nepomuk; Müller, Thomas; Magauer, Thomas","Synthetic Entry to Polyfunctionalized Molecules through the [3+2]-Cycloaddition of Thiocarbonyl Ylides.","Journal of the American Chemical Society","2019","141","34","13352","13357","10.1021/jacs.9b07729","","","0.71073","MoKα","","0.0334","0.0308","","","0.079","0.0809","","","","","","1.034","","","","has coordinates","221955","2020-10-21","18:00:00",""
"4128954","12.8763","0.0001","15.3531","0.0002","24.2529","0.0004","90","","90","","90","","4794.58","0.11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43.5 H44.75 F18 Fe N8.25 O0.75 P2 -","- C43.5 H44.75 F18 Fe N8.25 O0.75 P2 -","- C174 H179 F72 Fe4 N33 O3 P8 -","4","1","","Hong, Yubiao; Jarrige, Lucie; Harms, Klaus; Meggers, Eric","Chiral-at-Iron Catalyst: Expanding the Chemical Space for Asymmetric Earth-Abundant Metal Catalysis.","Journal of the American Chemical Society","2019","141","11","4569","4572","10.1021/jacs.9b01352","","","1.54186","CuKα","","0.0455","0.0381","","","0.0888","0.0913","","","","","","0.96","","","","has coordinates,has disorder","221986","2020-10-21","18:00:00",""
"4128964","11.7237","0.001","13.3153","0.0013","13.7472","0.0013","90","","90","","90","","2146","0.3","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F6 N4 O2 P Ru -","- C19 H15 F6 N4 O2 P Ru -","- C76 H60 F24 N16 O8 P4 Ru4 -","4","1","","Jung, Hoimin; Schrader, Malte; Kim, Dongwook; Baik, Mu-Hyun; Park, Yoonsu; Chang, Sukbok","Harnessing Secondary Coordination Sphere Interactions That Enable the Selective Amidation of Benzylic C-H Bonds.","Journal of the American Chemical Society","2019","141","38","15356","15366","10.1021/jacs.9b07795","","","0.71073","MoKα","","0.06","0.0381","","","0.0781","0.0851","","","","","","1.051","","","","has coordinates,has disorder","221996","2020-10-21","18:00:00",""
"4128987","8.9454","0.0009","11.7746","0.0013","20.35","0.003","90","","90","","90","","2143.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br2 N2 Ni O2 -","- C21 H22 Br2 N2 Ni O2 -","- C84 H88 Br8 N8 Ni4 O8 -","4","1","","Yin, Haolin; Fu, Gregory C.","Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex.","Journal of the American Chemical Society","2019","141","38","15433","15440","10.1021/jacs.9b08185","","","0.71073","MoKα","","0.0214","0.0184","","","0.0419","0.0425","","","","","","1.043","","","","has coordinates","222006","2020-10-21","18:00:00",""
"4128988","9.457","0.002","13.597","0.003","15.622","0.004","90","","90","","90","","2008.8","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","((R,R)-Ph-BOX)NiBr","","","- C21 H22 Br N2 Ni O2 -","- C21 H22 Br N2 Ni O2 -","- C84 H88 Br4 N8 Ni4 O8 -","4","1","","Yin, Haolin; Fu, Gregory C.","Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex.","Journal of the American Chemical Society","2019","141","38","15433","15440","10.1021/jacs.9b08185","","","0.71073","MoKα","","0.0612","0.0335","","","0.0511","0.0566","","","","","","0.988","","","","has coordinates,has disorder","222006","2020-10-21","18:00:00",""
"4128989","9.754","0.0005","17.1117","0.0016","26.83","0.003","90","","90","","90","","4478.1","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H51 Br N2 Ni O3 -","- C55 H51 Br N2 Ni O3 -","- C220 H204 Br4 N8 Ni4 O12 -","4","1","","Yin, Haolin; Fu, Gregory C.","Mechanistic Investigation of Enantioconvergent Kumada Reactions of Racemic α-Bromoketones Catalyzed by a Nickel/Bis(oxazoline) Complex.","Journal of the American Chemical Society","2019","141","38","15433","15440","10.1021/jacs.9b08185","","","1.54184","CuKα","","0.0501","0.0452","","","0.1112","0.1144","","","","","","1.029","","","","has coordinates","222006","2020-10-21","18:00:00",""
"4128993","13.173","0.005","15.284","0.006","20.312","0.007","90","","90","","90","","4090","3","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","SiP3FeCCH3OTf","","- C39 H57 F3 Fe O3 P3 S Si -","- C39 H57 F3 Fe O3 P3 S Si -","- C156 H228 F12 Fe4 O12 P12 S4 Si4 -","4","1","","Citek, Cooper; Oyala, Paul H.; Peters, Jonas C.","Mononuclear Fe(I) and Fe(II) Acetylene Adducts and Their Reductive Protonation to Terminal Fe(IV) and Fe(V) Carbynes.","Journal of the American Chemical Society","2019","141","38","15211","15221","10.1021/jacs.9b06987","","","0.71073","MoKα","","0.0733","0.0457","","","0.0881","0.0987","","","","","","1.025","","","","has coordinates,has disorder","222007","2020-10-21","18:00:00",""
"4128998","10.77","0.006","10.98","0.006","28.973","0.017","90","","90","","90","","3426","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H53 Li2 N6 O P -","- C30 H53 Li2 N6 O P -","- C120 H212 Li8 N24 O4 P4 -","4","1","","Gladfelder, Joshua J.; Ghosh, Santanu; Podunavac, Maša; Cook, Andrew W.; Ma, Yun; Woltornist, Ryan A.; Keresztes, Ivan; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen","Enantioselective Alkylation of 2-Alkylpyridines Controlled by Organolithium Aggregation.","Journal of the American Chemical Society","2019","141","38","15024","15028","10.1021/jacs.9b08659","","","0.71073","MoKα","","0.2208","0.0886","","","0.1411","0.1725","","","","","","1.095","","","","has coordinates","222012","2020-10-21","18:00:00",""
"4128999","14.958","0.006","15.579","0.007","30.593","0.01","90","","90","","90","","7129","5","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H57 Li2 N6 O2 P -","- C32 H57 Li2 N6 O2 P -","- C256 H456 Li16 N48 O16 P8 -","8","2","","Gladfelder, Joshua J.; Ghosh, Santanu; Podunavac, Maša; Cook, Andrew W.; Ma, Yun; Woltornist, Ryan A.; Keresztes, Ivan; Hayton, Trevor W.; Collum, David B.; Zakarian, Armen","Enantioselective Alkylation of 2-Alkylpyridines Controlled by Organolithium Aggregation.","Journal of the American Chemical Society","2019","141","38","15024","15028","10.1021/jacs.9b08659","","","0.71073","MoKα","","0.1483","0.0863","","","0.1422","0.1561","","","","","","1.452","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4129001","6.2514","0.0019","7.289","0.002","29.77","0.009","90","","90","","90","","1356.5","0.7","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N3 -","- C16 H19 N3 -","- C64 H76 N12 -","4","1","","Halabi, Jad Mahmoud; Ahmed, Ejaz; Catalano, Luca; Karothu, Durga Prasad; Rezgui, Rachid; Naumov, Panče","Spatial Photocontrol of the Optical Output from an Organic Crystal Waveguide.","Journal of the American Chemical Society","2019","141","38","14966","14970","10.1021/jacs.9b07645","","x-ray","0.71073","MoKα","","0.059","0.0497","","","0.1013","0.1041","","","","","","1.062","","","","has coordinates","222015","2020-10-21","18:00:00",""
"4129023","6.3267","0.0002","8.6439","0.0003","29.68","0.002","90","","90","","90","","1623.12","0.13","95","","95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O5 -","- C19 H26 O5 -","- C76 H104 O20 -","4","1","","Khatri, Hem Raj; Bhattarai, Bijay; Kaplan, Will; Li, Zhongzheng; Curtis Long, Marcus John; Aye, Yimon; Nagorny, Pavel","Modular Total Synthesis and Cell-Based Anticancer Activity Evaluation of Ouabagenin and Other Cardiotonic Steroids with Varying Degrees of Oxygenation.","Journal of the American Chemical Society","2019","141","12","4849","4860","10.1021/jacs.8b12870","","x-ray","1.54178","CuKα","","0.0435","0.0415","","","0.1017","0.1111","","","","","","1.145","","","","has coordinates","222030","2020-10-21","18:00:00",""
"4129031","6.7003","0.0001","14.5512","0.0003","20.4826","0.0004","90","","90","","90","","1997","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan","Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols.","Journal of the American Chemical Society","2019","141","12","5021","5033","10.1021/jacs.9b00925","","","1.54178","CuKα","","0.0382","0.0374","","","0.1049","0.1059","","","","","","1.051","","","","has coordinates","222038","2020-10-21","18:00:00",""
"4129032","5.0118","0.0008","9.3269","0.0017","32.56","0.005","90","","90","","90","","1522","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O -","- C19 H22 O -","- C76 H88 O4 -","4","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Sun, Suyun; Li, Xinghui; Tian, Weisheng; Gui, Jinghan","Facile Access to Bridged Ring Systems via Point-to-Planar Chirality Transfer: Unified Synthesis of Ten Cyclocitrinols.","Journal of the American Chemical Society","2019","141","12","5021","5033","10.1021/jacs.9b00925","","","0.71073","MoKα","","0.1","0.0529","","","0.1131","0.1395","","","","","","1.064","","","","has coordinates","222039","2020-10-21","18:00:00",""
"4129043","7.7891","0.0004","22.175","0.0011","28.51","0.0014","90","","90","","90","","4924.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 I N2 Ni -","- C24 H40 I N2 Ni -","- C192 H320 I8 N16 Ni8 -","8","2","","Zarate, Cayetana; Yang, Haifeng; Bezdek, Máté J; Hesk, David; Chirik, Paul J.","Ni(I)-X Complexes Bearing a Bulky α-Diimine Ligand: Synthesis, Structure, and Superior Catalytic Performance in the Hydrogen Isotope Exchange in Pharmaceuticals.","Journal of the American Chemical Society","2019","141","12","5034","5044","10.1021/jacs.9b00939","","","1.54178","CuKα","","0.0442","0.0412","","","0.0944","0.0962","","","","","","1.207","","","","has coordinates","222048","2020-10-21","18:00:00",""
"4129052","6.3001","0.0002","15.0343","0.0004","31.3137","0.0009","90","","90","","90","","2965.96","0.15","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 O5 -","- C32 H46 O5 -","- C128 H184 O20 -","4","1","","Heinze, Robert C.; Heretsch, Philipp","Translation of a Polar Biogenesis Proposal into a Radical Synthetic Approach: Synthesis of Pleurocin A/Matsutakone and Pleurocin B.","Journal of the American Chemical Society","2019","141","3","1222","1226","10.1021/jacs.8b13356","","","1.54178","CuKα","","0.035","0.0327","","","0.0802","0.0818","","","","","","1.067","","","","has coordinates","222055","2020-10-21","18:00:00",""
"4129069","10.557","0.002","13.324","0.003","32.734","0.007","90","","90","","90","","4604.4","1.7","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H72 Al Li N4 O5 -","- C48 H72 Al Li N4 O5 -","- C192 H288 Al4 Li4 N16 O20 -","4","1","","Ebner, Fabian; Wadepohl, Hubert; Greb, Lutz","Calix[4]pyrrole aluminate: a planar tetracoordinate aluminum(III) anion and its unusual Lewis acidity.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10628","","x-ray","0.71073","MoKα","","0.1404","0.0666","","","0.1434","0.1769","","","","","","1.008","","","","has coordinates,has disorder","223260","2020-10-21","18:00:00",""
"4129083","5.3944","0.00006","18.0328","0.0002","29.9372","0.0004","90","","90","","90","","2912.18","0.06","298.43","0.11","298.43","0.11","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O5 -","- C17 H14 O5 -","- C136 H112 O40 -","8","2","","Pyser, Joshua B.; Baker Dockrey, Summer A.; Benítez, Attabey Rodríguez; Joyce, Leo A.; Wiscons, Ren A.; Smith, Janet L.; Narayan, Alison R. H.","Stereodivergent, Chemoenzymatic Synthesis of Azaphilone Natural Products.","Journal of the American Chemical Society","2019","141","46","18551","18559","10.1021/jacs.9b09385","","x-ray","1.54184","CuKα","","0.0332","0.03","","","0.0784","0.0846","","","","","","1.052","","","","has coordinates","246557","2020-10-21","18:00:00",""
"4129088","6.3111","0.0004","9.3707","0.0005","30.764","0.003","90","","90","","90","","1819.4","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(Methylamino)-2-(4-nitrophenyl)-3-phenyl-1-(pyrrolidin-1-yl)propan-1-one","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","Gonçalves, Carlos R; Lemmerer, Miran; Teskey, Christopher J.; Adler, Pauline; Kaiser, Daniel; Maryasin, Boris; González, Leticia; Maulide, Nuno","Unified Approach to the Chemoselective α-Functionalization of Amides with Heteroatom Nucleophiles.","Journal of the American Chemical Society","2019","141","46","18437","18443","10.1021/jacs.9b06956","","","0.71073","MoKα","","0.057","0.0457","","","0.1019","0.1096","","","","","","1.06","","","","has coordinates","246554","2020-10-21","18:00:00",""
"4129109","11.90631","0.00013","16.82151","0.00016","21.0724","0.0002","90","","90","","90","","4220.42","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H46 B F2 N5 -","- C50 H46 B F2 N5 -","- C200 H184 B4 F8 N20 -","4","1","","Rao, Yutao; Zhou, Wenjing; Xu, Ling; Zhou, Mingbo; Yin, Bangshao; Tanaka, Takayuki; Osuka, Atsuhiro; Song, Jianxin","Singly and Doubly Neo-Confused Smaragdyrins.","Journal of the American Chemical Society","2019","141","47","18836","18844","10.1021/jacs.9b10270","","x-ray","1.54184","CuKα","","0.0408","0.039","","","0.1039","0.1054","","","","","","1.062","","","","has coordinates","246559","2020-10-21","18:00:00",""
"4129237","10.3161","0.0004","14.4678","0.0006","29.963","0.0013","90","","90","","90","","4472","0.3","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[PhBPiPr3]CoSSiPh3","","","- C45 H68 B Co P3 S Si -","- C45 H68 B Co P3 S Si -","- C180 H272 B4 Co4 P12 S4 Si4 -","4","1","","Jenkins, David M.; Peters, Jonas C.","Spin-state tuning at pseudotetrahedral d(7) ions: examining the structural and magnetic phenomena of four-coordinate [BP3]CoII-X systems.","Journal of the American Chemical Society","2005","127","19","7148","7165","10.1021/ja045310m","","","0.71073","MoKα","","0.0587","0.0431","","","0.0606","0.0622","","","","","","1.37","","","","has coordinates","240010","2020-10-21","18:00:00",""
"4129262","6.2426","0.0004","7.7345","0.0005","25.5322","0.0016","90","","90","","90","","1232.78","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 S -","- C13 H15 N O2 S -","- C52 H60 N4 O8 S4 -","4","1","","Hartung, John; Dornan, Peter K.; Grubbs, Robert H.","Enantioselective olefin metathesis with cyclometalated ruthenium complexes.","Journal of the American Chemical Society","2014","136","37","13029","13037","10.1021/ja506611k","","","0.71073","MoKα","","0.0314","0.0284","","","0.0729","0.0737","","","","","","1.528","","","","has coordinates","240025","2020-10-21","18:00:00",""
"4129275","15.7607","0.0008","16.9627","0.0009","18.2945","0.001","90","","90","","90","","4890.9","0.4","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H39 Cu2 F6 N6 O10.5 S2 -","- C48 H38 Cu2 F6 N6 O10.5 S2 -","- C192 H152 Cu8 F24 N24 O42 S8 -","4","1","","Nakajima, Kazunari; Shibata, Masashi; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic etherification of propargylic esters with alcohols.","Journal of the American Chemical Society","2015","137","7","2472","2475","10.1021/jacs.5b00004","","","0.71075","MoKα","","","0.1089","","","","0.1899","","","","","","1","","","","has coordinates","240030","2020-10-21","18:00:00",""
"4129276","4.608","0.012","10.41","0.03","27.47","0.07","90","","90","","90","","1318","6","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O -","- C16 H13 Br O -","- C64 H52 Br4 O4 -","4","1","","Nakajima, Kazunari; Shibata, Masashi; Nishibayashi, Yoshiaki","Copper-catalyzed enantioselective propargylic etherification of propargylic esters with alcohols.","Journal of the American Chemical Society","2015","137","7","2472","2475","10.1021/jacs.5b00004","","","0.71075","MoKα","","","0.0289","","","","0.0669","","","","","","1","","","","has coordinates","240031","2020-10-21","18:00:00",""
"4129278","5.4421","0.0007","9.7834","0.0013","26.672","0.003","90","","90","","90","","1420.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 F2 O5 P -","- C12 H17 F2 O5 P -","- C48 H68 F8 O20 P4 -","4","1","","Panigrahi, Kaushik; Applegate, Gregory A.; Malik, Guillaume; Berkowitz, David B.","Combining a Clostridial enzyme exhibiting unusual active site plasticity with a remarkably facile sigmatropic rearrangement: rapid, stereocontrolled entry into densely functionalized fluorinated phosphonates for chemical biology.","Journal of the American Chemical Society","2015","137","10","3600","3609","10.1021/jacs.5b00022","","","0.71073","MoKα","","0.0261","0.0254","","","0.0682","0.0688","","","","","","0.991","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4129324","8.964","0.001","9.347","0.001","19.713","0.002","90","","90","","90","","1651.7","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O5 S -","- C15 H23 N O5 S -","- C60 H92 N4 O20 S4 -","4","1","","Matthies, Stefan; Stallforth, Pierre; Seeberger, Peter H.","Total synthesis of legionaminic acid as basis for serological studies.","Journal of the American Chemical Society","2015","137","8","2848","2851","10.1021/jacs.5b00455","","","0.71069","MoKα","","0.1071","0.0566","","","0.1317","0.1501","","","","","","0.805","","","","has coordinates","240059","2020-10-21","18:00:00",""
"4129326","11.3535","0.0004","15.0535","0.0005","16.8302","0.0006","90","","90","","90","","2876.45","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H16 F12 N4 O4 Pd -","- C27 H16 F12 N4 O4 Pd -","- C108 H64 F48 N16 O16 Pd4 -","4","1","","Zhao, Yanchuan; Swager, Timothy M.","Simultaneous chirality sensing of multiple amines by (19)F NMR.","Journal of the American Chemical Society","2015","137","9","3221","3224","10.1021/jacs.5b00556","","","0.71073","MoKα","","0.0168","0.0165","","","0.0427","0.0429","","","","","","1.067","","","","has coordinates,has disorder","240061","2020-10-21","18:00:00",""
"4129327","10.082","0.0002","14.0144","0.0003","20.7098","0.0005","90","","90","","90","","2926.15","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 F6 N4 O2 Pd -","- C31 H26 F6 N4 O2 Pd -","- C124 H104 F24 N16 O8 Pd4 -","4","1","","Zhao, Yanchuan; Swager, Timothy M.","Simultaneous chirality sensing of multiple amines by (19)F NMR.","Journal of the American Chemical Society","2015","137","9","3221","3224","10.1021/jacs.5b00556","","","0.71073","MoKα","","0.0187","0.018","","","0.0426","0.0429","","","","","","1.049","","","","has coordinates","240062","2020-10-21","18:00:00",""
"4129345","14.2611","0.0006","17.3092","0.0005","18.8689","0.0007","90","","90","","90","","4657.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H84 Li2 N2 O4 Si4 -","- C39 H84 Li2 N2 O4 Si4 -","- C156 H336 Li8 N8 O16 Si16 -","4","1","","Bauer, Jonathan O.; Strohmann, Carsten","Stereocontrol in nucleophilic substitution reactions at silicon: the role of permutation in generating silicon-centered chirality.","Journal of the American Chemical Society","2015","137","13","4304","4307","10.1021/jacs.5b00861","","","0.71073","MoKα","","0.0404","0.0364","","","0.0999","0.1033","","","","","","1","","","","has coordinates","240080","2020-10-21","18:00:00",""
"4129347","10.7398","0.0008","12.4581","0.0009","14.3472","0.0013","90","","90","","90","","1919.6","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","20120034","","","- C17 H27 B Br N O2 -","- C17 H27 B Br N O2 -","- C68 H108 B4 Br4 N4 O8 -","4","1","","Chen, Diao; Zhang, Xu; Qi, Wei-Yi; Xu, Bin; Xu, Ming-Hua","Rhodium(I)-catalyzed asymmetric carbene insertion into B-H bonds: highly enantioselective access to functionalized organoboranes.","Journal of the American Chemical Society","2015","137","16","5268","5271","10.1021/jacs.5b00892","","","0.71073","MoKα","","0.1904","0.0658","","","0.1508","0.2006","","","","","","0.985","","","","has coordinates","240082","2020-10-21","18:00:00",""
"4129349","9.5503","0.0005","9.8672","0.0006","19.9286","0.0014","90","","90","","90","","1878","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 B Br N O -","- C19 H25 B Br N O -","- C76 H100 B4 Br4 N4 O4 -","4","1","","Chen, Diao; Zhang, Xu; Qi, Wei-Yi; Xu, Bin; Xu, Ming-Hua","Rhodium(I)-catalyzed asymmetric carbene insertion into B-H bonds: highly enantioselective access to functionalized organoboranes.","Journal of the American Chemical Society","2015","137","16","5268","5271","10.1021/jacs.5b00892","","","0.71073","MoKα","","0.1456","0.0587","","","0.1384","0.1751","","","","","","0.957","","","","has coordinates","240084","2020-10-21","18:00:00",""
"4129368","9.0153","0.0009","10.5421","0.001","21.135","0.002","90","","90","","90","","2008.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H16 O S2 -","- C26 H16 O S2 -","- C104 H64 O4 S8 -","4","1","","Yang, Liu; Zheng, Huayu; Luo, Lei; Nan, Jiang; Liu, Jingjing; Wang, Yaoyu; Luan, Xinjun","Palladium-Catalyzed Dynamic Kinetic Asymmetric Transformation of Racemic Biaryls: Axial-to-Central Chirality Transfer.","Journal of the American Chemical Society","2015","137","15","4876","4879","10.1021/jacs.5b01285","","","0.71073","MoKα","","0.0586","0.0448","","","0.1215","0.1349","","","","","","0.816","","","","has coordinates","240095","2020-10-21","18:00:00",""
"4129369","8.4926","0.0004","15.1772","0.0008","21.5393","0.0011","90","","90","","90","","2776.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N2 O4 S2 -","- C23 H26 N2 O4 S2 -","- C92 H104 N8 O16 S8 -","4","1","","Feng, Jian-Jun; Lin, Tao-Yan; Wu, Hai-Hong; Zhang, Junliang","Transfer of chirality in the rhodium-catalyzed intramolecular formal hetero-[5 + 2] cycloaddition of vinyl aziridines and alkynes: stereoselective synthesis of fused azepine derivatives.","Journal of the American Chemical Society","2015","137","11","3787","3790","10.1021/jacs.5b01305","","","0.71073","MoKα","","0.1086","0.0584","","","0.1533","0.1694","","","","","","0.955","","","","has coordinates","240096","2020-10-21","18:00:00",""
"4129374","6.1762","0.0007","6.3096","0.0008","23.492","0.003","90","","90","","90","","915.47","0.19","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 Br Cl O2 -","- C7 H12 Br Cl O2 -","- C28 H48 Br4 Cl4 O8 -","4","1","","Hu, Dennis X.; Seidl, Frederick J.; Bucher, Cyril; Burns, Noah Z.","Catalytic chemo-, regio-, and enantioselective bromochlorination of allylic alcohols.","Journal of the American Chemical Society","2015","137","11","3795","3798","10.1021/jacs.5b01384","","","0.71073","MoKα","","0.0169","0.0159","","","0.0384","0.0386","","","","","","1.06","","","","has coordinates","240101","2020-10-21","18:00:00",""
"4129381","7.2122","0.0003","13.7043","0.0005","27.1641","0.0011","90","","90","","90","","2684.85","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N O -","- C16 H12 Br N O -","- C128 H96 Br8 N8 O8 -","8","2","","Shen, Chong; Liu, Ren-Rong; Fan, Ren-Jie; Li, Ying-Long; Xu, Teng-Fei; Gao, Jian-Rong; Jia, Yi-Xia","Enantioselective Arylative Dearomatization of Indoles via Pd-Catalyzed Intramolecular Reductive Heck Reactions.","Journal of the American Chemical Society","2015","137","15","4936","4939","10.1021/jacs.5b01705","","","0.71073","MoKα","","0.0882","0.0457","","","0.1138","0.1413","","","","","","0.839","","","","has coordinates","240106","2020-10-21","18:00:00",""
"4129399","6.4155","0.0008","15.9951","0.0019","19.986","0.002","90","","90","","90","","2050.9","0.4","100","0.5","100","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","weixyz03","","","- C24 H30 O4 -","- C24 H30 O4 -","- C96 H120 O16 -","4","1","","Zhao, Yang; Weix, Daniel J.","Enantioselective cross-coupling of meso-epoxides with aryl halides.","Journal of the American Chemical Society","2015","137","9","3237","3240","10.1021/jacs.5b01909","","","0.71073","MoKα","","0.0704","0.0482","","","0.0983","0.1079","","","","","","1.034","","","","has coordinates","240113","2020-10-21","18:00:00",""
"4129402","7.62594","0.00009","13.76475","0.00018","15.17422","0.00018","90","","90","","90","","1592.83","0.03","293.8","0.2","293.8","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O -","- C19 H26 N2 O -","- C76 H104 N8 O4 -","4","1","","Du, Ji-Yuan; Zeng, Chao; Han, Xiao-Jie; Qu, Hu; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Asymmetric total synthesis of Apocynaceae hydrocarbazole alkaloids (+)-deethylibophyllidine and (+)-limaspermidine.","Journal of the American Chemical Society","2015","137","12","4267","4273","10.1021/jacs.5b01926","","","1.5418","CuKα","","0.0346","0.0334","","","0.0903","0.0918","","","","","","1.03","","","","has coordinates","240117","2020-10-21","18:00:00",""
"4129403","8.13784","0.00015","10.2608","0.0002","15.6066","0.0003","90","","90","","90","","1303.16","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","Du, Ji-Yuan; Zeng, Chao; Han, Xiao-Jie; Qu, Hu; Zhao, Xian-He; An, Xian-Tao; Fan, Chun-An","Asymmetric total synthesis of Apocynaceae hydrocarbazole alkaloids (+)-deethylibophyllidine and (+)-limaspermidine.","Journal of the American Chemical Society","2015","137","12","4267","4273","10.1021/jacs.5b01926","","","1.54184","CuKα","","0.0355","0.0351","","","0.0945","0.095","","","","","","1.003","","","","has coordinates","240118","2020-10-21","18:00:00",""
"4129404","5.0858","0.0005","8.4697","0.0009","29.59","0.003","90","","90","","90","","1274.6","0.2","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2,2-trifluoro-N-((2R,3R)-3-phenylpent-4-en-2-yl)acetamide","","- C13 H14 F3 N O -","- C13 H14 F2.997 N O -","- C52 H56 F11.988 N4 O4 -","4","1","","Breitler, Simon; Carreira, Erick M.","Formaldehyde N,N-dialkylhydrazones as neutral formyl anion equivalents in iridium-catalyzed asymmetric allylic substitution.","Journal of the American Chemical Society","2015","137","16","5296","5299","10.1021/jacs.5b01951","","x-ray","0.71073","MoKα","","0.0413","0.0364","","","0.088","0.0911","","","","","","1.067","","","","has coordinates,has disorder","240119","2020-10-21","18:00:00",""
"4129405","5.5932","0.0001","11.272","0.0002","22.6456","0.0004","90","","90","","90","","1427.73","0.04","223.2","0.2","223.2","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-2-(-(naphtalen-2-yl)allyl)-1,3-dithiolane","","- C16 H16 S2 -","- C16 H16 S2 -","- C64 H64 S8 -","4","1","","Breitler, Simon; Carreira, Erick M.","Formaldehyde N,N-dialkylhydrazones as neutral formyl anion equivalents in iridium-catalyzed asymmetric allylic substitution.","Journal of the American Chemical Society","2015","137","16","5296","5299","10.1021/jacs.5b01951","","x-ray","1.54178","CuKα","","0.0337","0.0313","","","0.0781","0.0804","","","","","","1.045","","","","has coordinates,has disorder","240120","2020-10-21","18:00:00",""
"4129406","8.2312","0.0005","12.0232","0.0007","18.8874","0.0012","90","","90","","90","","1869.2","0.2","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2,2-trifluoro-N-((S)-2-(methoxymethyl)pyrrolidin-1-yl)-N-((2R,3R)-3-phenylpent-4-en-2-yl)acetamide","","- C19 H25 F3 N2 O2 -","- C19 H25 F3 N2 O2 -","- C76 H100 F12 N8 O8 -","4","1","","Breitler, Simon; Carreira, Erick M.","Formaldehyde N,N-dialkylhydrazones as neutral formyl anion equivalents in iridium-catalyzed asymmetric allylic substitution.","Journal of the American Chemical Society","2015","137","16","5296","5299","10.1021/jacs.5b01951","","x-ray","0.71073","MoKα","","0.0287","0.0261","","","0.0646","0.0661","","","","","","1.034","","","","has coordinates","240121","2020-10-21","18:00:00",""
"4129408","5.7562","0.0012","10.199","0.002","19.546","0.004","90","","90","","90","","1147.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 F N O2 S -","- C12 H10 F N O2 S -","- C48 H40 F4 N4 O8 S4 -","4","1","","Zhao, Yanchuan; Jiang, Fanzhou; Hu, Jinbo","Spontaneous resolution of Julia-Kocienski intermediates facilitates phase separation to produce Z- and E-monofluoroalkenes.","Journal of the American Chemical Society","2015","137","15","5199","5203","10.1021/jacs.5b02112","","","1.54178","CuKα","","0.0387","0.0387","","","0.0903","0.0903","","","","","","1.119","","","","has coordinates","240123","2020-10-21","18:00:00",""
"4129410","6.7245","0.0002","8.541","0.0003","29.6456","0.0011","90","","90","","90","","1702.66","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N -","- C22 H24 N -","- C88 H96 N4 -","4","1","","Rong, Zi-Qiang; Zhang, Yao; Chua, Raymond Hong Bing; Pan, Hui-Jie; Zhao, Yu","Dynamic Kinetic Asymmetric Amination of Alcohols: From A Mixture of Four Isomers to Diastereo- and Enantiopure α-Branched Amines.","Journal of the American Chemical Society","2015","137","15","4944","4947","10.1021/jacs.5b02212","","","1.54178","CuKα","","0.0539","0.0523","","","0.1337","0.1419","","","","","","1.139","","","","has coordinates","240125","2020-10-21","18:00:00",""
"4129423","10.6682","0.0004","18.2369","0.0007","24.0876","0.001","90","","90","","90","","4686.4","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O2 -","- C28 H39 N O2 -","- C224 H312 N8 O16 -","8","2","","Sharpe, Robert J.; Johnson, Jeffrey S.","A global and local desymmetrization approach to the synthesis of steroidal alkaloids: stereocontrolled total synthesis of paspaline.","Journal of the American Chemical Society","2015","137","15","4968","4971","10.1021/jacs.5b02631","","","1.54178","CuKα","","0.0402","0.0384","","","0.1028","0.1044","","","","","","1.039","","","","has coordinates","240138","2020-10-21","18:00:00",""
"4129459","6.2235","0.0006","16.6092","0.0017","16.7213","0.0017","90","","90","","90","","1728.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl N2 O3 -","- C19 H15 Cl N2 O3 -","- C76 H60 Cl4 N8 O12 -","4","1","","Li, Jun; Huang, Rong; Xing, Yi-Kang; Qiu, Guofu; Tao, Hai-Yan; Wang, Chun-Jiang","Catalytic Asymmetric Cascade Vinylogous Mukaiyama 1,6-Michael/Michael Addition of 2-Silyloxyfurans with Azoalkenes: Direct Approach to Fused Butyrolactones.","Journal of the American Chemical Society","2015","137","32","10124","10127","10.1021/jacs.5b06509","","","0.71073","MoKα","","0.0424","0.0318","","","0.0632","0.0685","","","","","","1.017","","","","has coordinates","240174","2020-10-21","18:00:00",""
"4129496","9.1843","0.0003","10.2725","0.0003","18.8705","0.0006","90","","90","","90","","1780.35","0.1","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N O2 P -","- C22 H18 N O2 P -","- C88 H72 N4 O8 P4 -","4","1","","Lee, Ansoo; Kim, Hyunwoo","Rhodium-Catalyzed Asymmetric 1,4-Addition of α,β-Unsaturated Imino Esters Using Chiral Bicyclic Bridgehead Phosphoramidite Ligands.","Journal of the American Chemical Society","2015","137","35","11250","11253","10.1021/jacs.5b07034","","","1.54178","CuKα","","0.0267","0.0261","","","0.07","0.0703","","","","","","1.09","","","","has coordinates","240203","2020-10-21","18:00:00",""
"4129503","8.8603","0.0007","11.6145","0.0009","18.4379","0.0014","90","","90","","90","","1897.4","0.3","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-benzyl-2-ethyl-1-((4-nitrophenyl)sulfonyl)piperidine","","- C20 H24 N2 O4 S -","- C20 H24 N2 O4 S -","- C80 H96 N8 O16 S4 -","4","1","","Wanner, Benedikt; Kreituss, Imants; Gutierrez, Osvaldo; Kozlowski, Marisa C.; Bode, Jeffrey W.","Catalytic Kinetic Resolution of Disubstituted Piperidines by Enantioselective Acylation: Synthetic Utility and Mechanistic Insights.","Journal of the American Chemical Society","2015","137","35","11491","11497","10.1021/jacs.5b07201","","x-ray","0.71073","MoKα","","0.0241","0.0232","","","0.0601","0.0607","","","","","","1.058","","","","has coordinates","240211","2020-10-21","18:00:00",""
"4129557","5.98941","0.00015","10.8833","0.0004","14.8019","0.0011","90","","90","","90","","964.86","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.12209","","0.76","","","","","","","has coordinates","240254","2020-10-21","18:00:00",""
"4129558","6.40525","0.00033","11.3663","0.0006","15.5172","0.0016","90","","90","","90","","1129.71","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.08838","","0.97","","","","","","","has coordinates","240255","2020-10-21","18:00:00",""
"4129559","5.71784","0.00018","10.6889","0.0006","14.4886","0.0014","90","","90","","90","","885.51","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.12976","","0.78","","","","","","","has coordinates","240256","2020-10-21","18:00:00",""
"4129560","5.82889","0.00018","10.7665","0.0005","14.6183","0.0014","90","","90","","90","","917.4","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PhBBO","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Tian, Di; Winter, Stephen M.; Mailman, Aaron; Wong, Joanne W. L.; Yong, Wenjun; Yamaguchi, Hiroshi; Jia, Yating; Tse, John S.; Desgreniers, Serge; Secco, Richard A.; Julian, Stephen R.; Jin, Changqing; Mito, Masaki; Ohishi, Yasuo; Oakley, Richard T.","The metallic state in neutral radical conductors: dimensionality, pressure and multiple orbital effects.","Journal of the American Chemical Society","2015","137","44","14136","14148","10.1021/jacs.5b08254","powder diffraction","x-ray","0.41244","","","","","","","","","0.12764","","0.85","","","","","","","has coordinates","240257","2020-10-21","18:00:00",""
"4129579","8.0242","0.0006","15.8775","0.0011","17.8568","0.0013","90","","90","","90","","2275","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O7 -","- C22 H23 N3 O7 -","- C88 H92 N12 O28 -","4","1","","Pous, Jonathan; Courant, Thibaut; Bernadat, Guillaume; Iorga, Bogdan I.; Blanchard, Florent; Masson, Géraldine","Regio-, Diastereo-, and Enantioselective Nitroso-Diels-Alder Reaction of 1,3-Diene-1-carbamates Catalyzed by Chiral Phosphoric Acids.","Journal of the American Chemical Society","2015","137","37","11950","11953","10.1021/jacs.5b08515","","","1.54187","CuKα","","0.1163","0.0597","","","0.1342","0.1824","","","","","","1.046","","","","has coordinates","240276","2020-10-21","18:00:00",""
"4129580","6.1072","0.0001","13.8815","0.0003","21.5452","0.0015","90","","90","","90","","1826.54","0.14","85","2","85","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","1","","Cichowicz, Nathan R.; Kaplan, Will; Khomutnyk, Yaroslav; Bhattarai, Bijay; Sun, Zhankui; Nagorny, Pavel","Concise Enantioselective Synthesis of Oxygenated Steroids via Sequential Copper(II)-Catalyzed Michael Addition/Intramolecular Aldol Cyclization Reactions.","Journal of the American Chemical Society","2015","137","45","14341","14348","10.1021/jacs.5b08528","","","1.54178","CuKα","","0.0279","0.0278","","","0.0702","0.0702","","","","","","1.079","","","","has coordinates","240277","2020-10-21","18:00:00",""
"4129583","8.1977","0.0019","12.821","0.003","17.153","0.004","90","","90","","90","","1802.8","0.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br O5 -","- C20 H21 Br O5 -","- C80 H84 Br4 O20 -","4","1","","Hong, Benke; Li, Chao; Wang, Zhen; Chen, Jie; Li, Houhua; Lei, Xiaoguang","Enantioselective Total Synthesis of (-)-Incarviatone A.","Journal of the American Chemical Society","2015","137","37","11946","11949","10.1021/jacs.5b08551","","","0.71073","MoKα","","0.0565","0.0382","","","0.0617","0.0678","","","","","","1","","","","has coordinates","240280","2020-10-21","18:00:00",""
"4129597","12.797","0.0006","17.3364","0.0008","17.6536","0.001","90","","90","","90","","3916.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H50 N Ni O P -","- C47 H50 N Ni O P -","- C188 H200 N4 Ni4 O4 P4 -","4","1","","Ölscher, Franz; Göttker-Schnetmann, Inigo; Monteil, Vincent; Mecking, Stefan","Role of Radical Species in Salicylaldiminato Ni(II) Mediated Polymer Chain Growth: A Case Study for the Migratory Insertion Polymerization of Ethylene in the Presence of Methyl Methacrylate.","Journal of the American Chemical Society","2015","137","46","14819","14828","10.1021/jacs.5b08612","","","0.71073","MoKα","","0.0546","0.0408","","","0.074","0.0774","","","","","","0.989","","","","has coordinates","240288","2020-10-21","18:00:00",""
"4129605","6.365","0.002","12.061","0.004","12.52","0.004","90","","90","","90","","961.1","0.5","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3S,3aS,5R,6R,6aR)-6-Bromo-3-(trifluoromethyl)hexahydro -2H-3,5-methanocyclopenta[b]furan-2-one","","","- C9 H8 Br F3 O2 -","- C9 H8 Br F3 O2 -","- C36 H32 Br4 F12 O8 -","4","1","","Hatano, Manabu; Goto, Yuta; Izumiseki, Atsuto; Akakura, Matsujiro; Ishihara, Kazuaki","Boron Tribromide-Assisted Chiral Phosphoric Acid Catalyst for a Highly Enantioselective Diels-Alder Reaction of 1,2-Dihydropyridines.","Journal of the American Chemical Society","2015","137","42","13472","13475","10.1021/jacs.5b08693","","","0.71075","MoKα","","0.0192","0.0173","","","0.036","0.0362","","","","","","0.862","","","","has coordinates","240297","2020-10-21","18:00:00",""
"4129635","7.3753","0.0004","13.5428","0.0007","19.1838","0.001","90","","90","","90","","1916.12","0.17","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O6 -","- C21 H34 O6 -","- C84 H136 O24 -","4","1","","Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song","Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.","Journal of the American Chemical Society","2015","137","42","13706","13714","10.1021/jacs.5b08958","","x-ray","0.71073","MoKα","","0.063","0.0428","","","0.0873","0.0946","","","","","","0.964","","","","has coordinates","240315","2020-10-21","18:00:00",""
"4129643","11.2823","0.0002","22.5577","0.0004","28.63","0.002","90","","90","","90","","7286.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 Br2 N O3 -","- C22.6667 H28 Br2 N O3 -","- C272 H336 Br24 N12 O36 -","12","3","","Zhang, Jian; Lin, Shao-Xia; Cheng, Dao-Juan; Liu, Xin-Yuan; Tan, Bin","Phosphoric acid-catalyzed asymmetric classic Passerini reaction.","Journal of the American Chemical Society","2015","137","44","14039","14042","10.1021/jacs.5b09117","","","1.54187","CuKα","","0.0893","0.0724","","","0.2024","0.2209","","","","","","1.123","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4129647","9.0368","0.0002","11.3775","0.0003","22.1398","0.0005","90","","90","","90","","2276.33","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 N O -","- C28 H35 N O -","- C112 H140 N4 O4 -","4","1","","Lu, Zhaohong; Li, Hailong; Bian, Ming; Li, Ang","Total Synthesis of Epoxyeujindole A.","Journal of the American Chemical Society","2015","137","43","13764","13767","10.1021/jacs.5b09198","","","1.54178","CuKα","","0.0429","0.0422","","","0.1154","0.1164","","","","","","1.045","","","","has coordinates","240326","2020-10-21","18:00:00",""
"4129685","8.582","0.003","15.89","0.006","28.65","0.01","90","","90","","90","","3907","2","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H42 Al N3 O4 -","- C40 H42 Al N3 O4 -","- C160 H168 Al4 N12 O16 -","4","1","","Seo, Min-Seob; Kim, Hyunwoo","(1)H NMR chiral analysis of charged molecules via ion pairing with aluminum complexes.","Journal of the American Chemical Society","2015","137","44","14190","14195","10.1021/jacs.5b09555","","","0.71073","MoKα","","0.0454","0.0412","","","0.1058","0.1086","","","","","","1.026","","","","has coordinates","240359","2020-10-21","18:00:00",""
"4129700","6.3463","0.0004","14.4931","0.0009","16.2263","0.0009","90","","90","","90","","1492.46","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DCM1","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Miller, David C.; Choi, Gilbert J.; Orbe, Hudson S.; Knowles, Robert R.","Catalytic Olefin Hydroamidation Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2015","137","42","13492","13495","10.1021/jacs.5b09671","","","1.54178","CuKα","","0.0282","0.027","","","0.0712","0.0719","","","","","","1.086","","","","has coordinates","240370","2020-10-21","18:00:00",""
"4129701","8.6338","0.0006","40.258","0.004","9.8293","0.0006","90","","90","","90","","3416.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H53 N O3 Si2 -","- C32 H53 N O3 Si2 -","- C128 H212 N4 O12 Si8 -","4","1","","Liu, Zengjin; Lin, Xinglong; Yang, Na; Su, Zhishan; Hu, Changwei; Xiao, Peihong; He, Yanyang; Song, Zhenlei","Unique Steric Effect of Geminal Bis(silane) To Control the High Exo-selectivity in Intermolecular Diels-Alder Reaction.","Journal of the American Chemical Society","2016","138","6","1877","1883","10.1021/jacs.5b09689","","","0.7107","MoKα","","0.1475","0.0744","","","0.1691","0.2154","","","","","","0.917","","","","has coordinates","240371","2020-10-21","18:00:00",""
"4129703","8.0634","0.0007","12.7239","0.0012","22.679","0.002","90","","90","","90","","2326.8","0.4","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 B N3 O S -","- C26 H26 B N3 O S -","- C104 H104 B4 N12 O4 S4 -","4","1","","Nishikawa, Daiki; Hirano, Koji; Miura, Masahiro","Asymmetric Synthesis of α-Aminoboronic Acid Derivatives by Copper-Catalyzed Enantioselective Hydroamination.","Journal of the American Chemical Society","2015","137","50","15620","15623","10.1021/jacs.5b09773","","","0.71075","MoKα","","","0.0561","","","","0.1103","","","","","","1.085","","","","has coordinates","240373","2020-10-21","18:00:00",""
"4129708","10.935","0.002","11.745","0.002","13.03","0.002","90","","90","","90","","1673.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","0.71073","MoKα","","0.0404","0.0344","","","0.0818","0.0847","","","","","","1.02","","","","has coordinates","240378","2020-10-21","18:00:00",""
"4129709","10.9297","0.0002","11.738","0.0002","13.0327","0.0003","90","","90","","90","","1672","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O3 S -","- C18 H23 N O3 S -","- C72 H92 N4 O12 S4 -","4","1","","Zhou, Xuan; Dong, Guangbin","(4+1) vs (4+2): Catalytic Intramolecular Coupling between Cyclobutanones and Trisubstituted Allenes via C-C Activation.","Journal of the American Chemical Society","2015","137","42","13715","13721","10.1021/jacs.5b09799","","","1.54184","CuKα","","0.0304","0.0303","","","0.0821","0.0824","","","","","","1.05","","","","has coordinates","240379","2020-10-21","18:00:00",""
"4129734","5.3549","0.0004","14.4147","0.0013","17.117","0.0016","90","","90","","90","","1321.2","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","compound4f","","- C14 H15 Br O2 -","- C14 H15 Br O2 -","- C56 H60 Br4 O8 -","4","1","","Chen, Ming; Hartwig, John F.","Iridium-Catalyzed Enantioselective Allylic Substitution of Enol Silanes from Vinylogous Esters and Amides.","Journal of the American Chemical Society","2015","137","43","13972","13979","10.1021/jacs.5b09980","","","0.71073","MoKα","","0.0326","0.029","","","0.0712","0.073","","","","","","1.042","","","","has coordinates","240402","2020-10-21","18:00:00",""
"4129744","9.024","0.0007","13.945","0.0012","21.3226","0.0018","90","","90","","90","","2683.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42 Co N3 -","- C29 H42 Co N3 -","- C116 H168 Co4 N12 -","4","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","0.71073","MoKα","","0.0263","0.0244","","","0.0663","0.0671","","","","","","1.071","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129746","6.0914","0.0002","7.6445","0.0002","28.3648","0.0009","90","","90","","90","","1320.83","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N -","- C17 H19 N -","- C68 H76 N4 -","4","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0274","0.0269","","","0.0671","0.0675","","","","","","1.057","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129747","11.6801","0.0004","16.8701","0.0006","18.0924","0.0006","90","","90","","90","","3565","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl -","- C15 H13 Cl -","- C180 H156 Cl12 -","12","3","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0269","0.0264","","","0.0688","0.0699","","","","","","1.042","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129748","5.4967","0.0001","8.2618","0.0002","28.2779","0.0007","90","","90","","90","","1284.17","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O -","- C17 H18 O -","- C68 H72 O4 -","4","1","","Friedfeld, Max R.; Shevlin, Michael; Margulieux, Grant W.; Campeau, Louis-Charles; Chirik, Paul J.","Cobalt-Catalyzed Enantioselective Hydrogenation of Minimally Functionalized Alkenes: Isotopic Labeling Provides Insight into the Origin of Stereoselectivity and Alkene Insertion Preferences.","Journal of the American Chemical Society","2016","138","10","3314","3324","10.1021/jacs.5b10148","","","1.54178","CuKα","","0.0254","0.0245","","","0.0634","0.0639","","","","","","1.066","","","","has coordinates","240410","2020-10-21","18:00:00",""
"4129772","6.383","0.0002","8.0212","0.0002","22.0071","0.0005","90","","90","","90","","1126.75","0.05","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N3 O6 S -","- C10 H11 N3 O6 S -","- C40 H44 N12 O24 S4 -","4","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","0.71073","MoKα","","0.0246","0.0235","","","0.0587","0.0597","","","","","","1.084","","","","has coordinates","240429","2020-10-21","18:00:00",""
"4129774","6.9429","0.0003","11.0987","0.0004","16.3128","0.0006","90","","90","","90","","1257.02","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N4 O6 S -","- C10 H14 N4 O6 S -","- C40 H56 N16 O24 S4 -","4","1","","Rovira, Alexander R.; Fin, Andrea; Tor, Yitzhak","Chemical Mutagenesis of an Emissive RNA Alphabet.","Journal of the American Chemical Society","2015","137","46","14602","14605","10.1021/jacs.5b10420","","x-ray","0.71073","MoKα","","0.0464","0.0378","","","0.0829","0.0888","","","","","","1.019","","","","has coordinates","240431","2020-10-21","18:00:00",""
"4129848","5.7701","0.0006","13.3976","0.0012","22.752","0.002","90","","90","","90","","1758.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Tallmadge, Evan H.; Jermaks, Janis; Collum, David B.","Structure-Reactivity Relationships in Lithiated Evans Enolates: Influence of Aggregation and Solvation on the Stereochemistry and Mechanism of Aldol Additions.","Journal of the American Chemical Society","2016","138","1","345","355","10.1021/jacs.5b10980","","","0.71073","MoKα","","0.0812","0.0356","","","0.0662","0.0808","","","","","","1.06","","","","has coordinates","240500","2020-10-21","18:00:00",""
"4129853","4.9505","0.00011","9.1116","0.0002","22.1601","0.0005","90","","90","","90","","999.58","0.04","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 F4 N2 O -","- C10 H8 F4 N2 O -","- C40 H32 F16 N8 O4 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.064","0.0509","","","0.0979","0.1027","","","","","","0.968","","","","has coordinates","240505","2020-10-21","18:00:00",""
"4129855","10.1405","0.00018","11.5825","0.0002","18.6098","0.0004","90","","90","","90","","2185.76","0.07","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 F3 N3 O3 -","- C22 H24 F3 N3 O3 -","- C88 H96 F12 N12 O12 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","","0.028","","","","0.0597","","","","","","1.051","","","","has coordinates","240507","2020-10-21","18:00:00",""
"4129857","11.4578","","11.6088","","18.7145","","90","","90","","90","","2489.24","","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F5 N3 O3 -","- C23 H24 F5 N3 O3 -","- C92 H96 F20 N12 O12 -","4","1","","Brewitz, Lennart; Arteaga, Fernando Arteaga; Yin, Liang; Alagiri, Kaliyamoorthy; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α- and β-Fluorinated Amides.","Journal of the American Chemical Society","2015","137","50","15929","15939","10.1021/jacs.5b11064","","","1.54187","CuKα","","0.0696","0.0549","","","0.1607","0.1742","","","","","","1.03","","","","has coordinates","240509","2020-10-21","18:00:00",""
"4129862","8.2495","0.0003","12.0484","0.0003","14.9606","0.0007","90","","90","","90","","1486.98","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2.2 -","- C19 H18.83 N O2.17 -","- C76 H75.32 N4 O8.68 -","4","1","","Deng, Lin; Xu, Tao; Li, Hongbo; Dong, Guangbin","Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C-C Activation of Benzocyclobutenones.","Journal of the American Chemical Society","2016","138","1","369","374","10.1021/jacs.5b11120","","","1.54184","CuKα","","0.0434","0.041","","","0.103","0.1049","","","","","","1.05","","","","has coordinates","240514","2020-10-21","18:00:00",""
"4129885","11.0264","0.0013","12.7962","0.0015","13.7945","0.0016","90","","90","","90","","1946.3","0.4","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl Co N2 P -","- C19 H27 Cl Co N2 P -","- C76 H108 Cl4 Co4 N8 P4 -","4","1","","Zhang, Lei; Huang, Zheng","Synthesis of 1,1,1-Tris(boronates) from Vinylarenes by Co-Catalyzed Dehydrogenative Borylations-Hydroboration.","Journal of the American Chemical Society","2015","137","50","15600","15603","10.1021/jacs.5b11366","","","0.71073","MoKα","","0.0457","0.0348","","","0.0813","0.0875","","","","","","1.038","","","","has coordinates","240533","2020-10-21","18:00:00",""
"4129888","5.9186","0.0003","7.6659","0.0004","41.4766","0.0019","90","","90","","90","","1881.85","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N O3 S -","- C19 H20 Br N O3 S -","- C76 H80 Br4 N4 O12 S4 -","4","1","","Zeng, Xing-Ping; Cao, Zhong-Yan; Wang, Xin; Chen, Long; Zhou, Feng; Zhu, Feng; Wang, Cui-Hong; Zhou, Jian","Activation of Chiral (Salen)AlCl Complex by Phosphorane for Highly Enantioselective Cyanosilylation of Ketones and Enones.","Journal of the American Chemical Society","2016","138","1","416","425","10.1021/jacs.5b11476","","","0.71073","MoKα","","0.0331","0.0308","","","0.0711","0.0721","","","","","","1.08","","","","has coordinates","240536","2020-10-21","18:00:00",""
"4129894","13.657","0.0012","18.8676","0.0018","45.656","0.004","90","","90","","90","","11764.4","1.8","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C201 H280 F24 Mn4 N16 O27 S8 -","- C201 H280 F24 Mn4 N16 O27 S8 -","- C402 H560 F48 Mn8 N32 O54 S16 -","2","0.5","","Miao, Chengxia; Wang, Bin; Wang, Yong; Xia, Chungu; Lee, Yong-Min; Nam, Wonwoo; Sun, Wei","Proton-Promoted and Anion-Enhanced Epoxidation of Olefins by Hydrogen Peroxide in the Presence of Nonheme Manganese Catalysts.","Journal of the American Chemical Society","2016","138","3","936","943","10.1021/jacs.5b11579","","","0.71073","MoKα","","0.1487","0.0946","","","0.2337","0.2578","","","","","","1.007","","","","has coordinates,has disorder","240542","2020-10-21","18:00:00",""
"4129947","9.9016","0.0016","11.7995","0.001","21.0437","0.0013","90","","90","","90","","2458.6","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 Fe I N2 O3 P2 -","- C20 H35 Fe I N2 O3 P2 -","- C80 H140 Fe4 I4 N8 O12 P8 -","4","1","","Xu, Tao; Yin, Chih-Juo Madeline; Wodrich, Matthew D.; Mazza, Simona; Schultz, Katherine M.; Scopelliti, Rosario; Hu, Xile","A Functional Model of [Fe]-Hydrogenase.","Journal of the American Chemical Society","2016","138","10","3270","3273","10.1021/jacs.5b12095","","","0.71073","MoKα","","0.0324","0.0274","","","0.0594","0.0617","","","","","","1.206","","","","has coordinates","240567","2020-10-21","18:00:00",""
"4129956","13.449","0.003","19.29","0.005","25.532","0.006","90","","90","","90","","6624","3","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H102 Fe3 K N8 O6 Si3 -","- C60 H102 Fe3 K N8 O6 Si3 -","- C240 H408 Fe12 K4 N32 O24 Si12 -","4","1","","Hernández Sánchez, Raúl; Bartholomew, Amymarie K.; Powers, Tamara M.; Ménard, Gabriel; Betley, Theodore A.","Maximizing Electron Exchange in a [Fe3] Cluster.","Journal of the American Chemical Society","2016","138","7","2235","2243","10.1021/jacs.5b12181","","","0.71073","MoKα","","0.0645","0.047","","","0.1013","0.1088","","","","","","1.02","","","","has coordinates","240572","2020-10-21","18:00:00",""
"4129967","7.232","0.0007","10.7011","0.001","14.8484","0.0013","90","","90","","90","","1149.12","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C56 H36 N4 O8 S4 -","4","1","","Colletto, Chiara; Islam, Saidul; Juliá-Hernández, Francisco; Larrosa, Igor","Room-Temperature Direct β-Arylation of Thiophenes and Benzo[b]thiophenes and Kinetic Evidence for a Heck-type Pathway.","Journal of the American Chemical Society","2016","138","5","1677","1683","10.1021/jacs.5b12242","","","1.54178","CuKα","","0.0251","0.0243","","","0.0638","0.0643","","","","","","1.059","","","","has coordinates","240579","2020-10-21","18:00:00",""
"4129972","10.8115","0.0011","15.2429","0.0014","16.7747","0.0016","90","","90","","90","","2764.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 B3 O6 -","- C25 H41 B3 O6 -","- C100 H164 B12 O24 -","4","1","","Palmer, W. Neil; Obligacion, Jennifer V.; Pappas, Iraklis; Chirik, Paul J.","Cobalt-Catalyzed Benzylic Borylation: Enabling Polyborylation and Functionalization of Remote, Unactivated C(sp(3))-H Bonds.","Journal of the American Chemical Society","2016","138","3","766","769","10.1021/jacs.5b12249","","","0.71073","MoKα","","0.0609","0.0442","","","0.0965","0.1064","","","","","","1.021","","","","has coordinates","240580","2020-10-21","18:00:00",""
"4129974","4.21","0.0004","13.2907","0.001","14.1228","0.0011","90","","90","","90","","790.22","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 Br I2 N S -","- C3 Br I2 N S -","- C12 Br4 I8 N4 S4 -","4","1","","Shi, Qinqin; Zhang, Siyuan; Zhang, Junxiang; Oswald, Victoria F.; Amassian, Aram; Marder, Seth R.; Blakey, Simon B.","KO(t)Bu-Initiated Aryl C-H Iodination: A Powerful Tool for the Synthesis of High Electron Affinity Compounds.","Journal of the American Chemical Society","2016","138","12","3946","3949","10.1021/jacs.5b12259","","","0.71073","MoKα","","0.0472","0.0393","","","0.0757","0.0793","","","","","","0.995","","","","has coordinates","240582","2020-10-21","18:00:00",""
"4130028","8.7745","0.0002","10.2125","0.0003","17.6501","0.0005","90","","90","","90","","1581.62","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C64 H64 N8 O20 S4 -","4","1","","Moreno, Jesus; Picazo, Elias; Morrill, Lucas A.; Smith, Joel M.; Garg, Neil K.","Enantioselective Total Syntheses of Akuammiline Alkaloids (+)-Strictamine, (-)-2(S)-Cathafoline, and (-)-Aspidophylline A.","Journal of the American Chemical Society","2016","138","4","1162","1165","10.1021/jacs.5b12880","","","1.54178","CuKα","","0.0234","0.0232","","","0.0577","0.0578","","","","","","1.071","","","","has coordinates","240620","2020-10-21","18:00:00",""
"4130066","18.3091","0.0005","21.6571","0.0004","27.5325","0.0006","90","","90","","90","","10917.2","0.4","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C126 H130 N2 O10 Rh2 -","- C126 H130 N2 O10 Rh2 -","- C504 H520 N8 O40 Rh8 -","4","1","","Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko","Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.","Journal of the American Chemical Society","2016","138","9","2945","2948","10.1021/jacs.5b13515","","","0.71075","MoKα","","0.1388","0.0735","","","0.1442","0.1808","","","","","","1.059","","","","has coordinates","240653","2020-10-21","18:00:00",""
"4130069","11.819","0.002","14.961","0.003","15.364","0.003","90","","90","","90","","2716.7","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H44 Mn N O2 P2 -","- C25 H44 Mn N O2 P2 -","- C100 H176 Mn4 N4 O8 P8 -","4","1","","Mukherjee, Arup; Nerush, Alexander; Leitus, Gregory; Shimon, Linda J. W.; Ben David, Yehoshoa; Espinosa Jalapa, Noel Angel; Milstein, David","Manganese-Catalyzed Environmentally Benign Dehydrogenative Coupling of Alcohols and Amines to Form Aldimines and H2: A Catalytic and Mechanistic Study.","Journal of the American Chemical Society","2016","138","13","4298","4301","10.1021/jacs.5b13519","","","0.71073","MoKα","","0.07","0.0552","","","0.1281","0.1354","","","","","","1.022","","","","has coordinates,has disorder","240654","2020-10-21","18:00:00",""
"4130072","11.8285","0.0019","11.8866","0.0019","22.494","0.004","90","","90","","90","","3162.7","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 B N4 O0.58 P -","- C34 H50 B N4 O0.582 P -","- C136 H200 B4 N16 O2.328 P4 -","4","1","","Mummadi, Suresh; Unruh, Daniel K.; Zhao, Jiyang; Li, Shuhua; Krempner, Clemens","""Inverse"" Frustrated Lewis Pairs‒Activation of Dihydrogen with Organosuperbases and Moderate to Weak Lewis Acids.","Journal of the American Chemical Society","2016","138","10","3286","3289","10.1021/jacs.5b13545","","","0.71073","MoKα","","0.0707","0.0465","","","0.0903","0.1004","","","","","","1.013","","","","has coordinates,has disorder","240658","2020-10-21","18:00:00",""
"4130095","8.4957","0.0007","13.2816","0.001","14.4218","0.0011","90","","90","","90","","1627.3","0.2","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Fe N2 O -","- C19 H22 Fe N2 O -","- C76 H88 Fe4 N8 O4 -","4","1","","Gao, De-Wei; Gu, Qing; You, Shu-Li","An Enantioselective Oxidative C-H/C-H Cross-Coupling Reaction: Highly Efficient Method To Prepare Planar Chiral Ferrocenes.","Journal of the American Chemical Society","2016","138","8","2544","2547","10.1021/jacs.6b00127","","","0.71073","MoKα","","0.0311","0.0269","","","0.0629","0.0646","","","","","","0.999","","","","has coordinates","240670","2020-10-21","18:00:00",""
"4130097","9.3232","0.0004","9.8579","0.0005","43.235","0.002","90","","90","","90","","3973.6","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H56 B2 F8 N6 -","- C36 H56 B2 F8 N6 -","- C144 H224 B8 F32 N24 -","4","1","","Dong, Shunxi; Frings, Marcus; Cheng, Hanchao; Wen, Jian; Zhang, Duo; Raabe, Gerhard; Bolm, Carsten","Organocatalytic Kinetic Resolution of Sulfoximines.","Journal of the American Chemical Society","2016","138","7","2166","2169","10.1021/jacs.6b00143","","","1.54178","CuKα","","0.044","0.044","","0.053","","0.053","","","1.004","","","1.007","","","","has coordinates","240672","2020-10-21","18:00:00",""
"4130099","12.2328","0.0003","15.8577","0.0004","16.0723","0.0004","90","","90","","90","","3117.77","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H50 Ir N O5 P2 -","- C28 H50 Ir N O5 P2 -","- C112 H200 Ir4 N4 O20 P8 -","4","1","","Feller, Moran; Gellrich, Urs; Anaby, Aviel; Diskin-Posner, Yael; Milstein, David","Reductive Cleavage of CO2 by Metal-Ligand-Cooperation Mediated by an Iridium Pincer Complex.","Journal of the American Chemical Society","2016","138","20","6445","6454","10.1021/jacs.6b00202","","","0.71073","MoKα","","0.0296","0.0252","","","0.0478","0.0491","","","","","","0.949","","","","has coordinates","240674","2020-10-21","18:00:00",""
"4130111","12.153","0.003","13.653","0.003","18.121","0.004","90","","90","","90","","3006.7","1.2","93.15","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 B F N2 O -","- C33 H42 B F N2 O -","- C132 H168 B4 F4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.0586","0.0507","","","0.1186","0.1255","","","","","","1.034","","","","has coordinates,has disorder","240677","2020-10-21","18:00:00",""
"4130113","11.941","0.005","13.3","0.005","18.914","0.008","90","","90","","90","","3004","2","93.15","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 B F N2 O -","- C33 H42 B F N2 O -","- C132 H168 B4 F4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.1074","0.0796","","","0.17","0.1899","","","","","","1.076","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4130119","14.283","0.005","14.834","0.005","16.192","0.005","90","0.005","90","0.005","90","0.005","3431","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 F2 Ni O4 P2 -","- C34 H44 F2 Ni O4 P2 -","- C136 H176 F8 Ni4 O16 P8 -","4","1","","Shevlin, Michael; Friedfeld, Max R.; Sheng, Huaming; Pierson, Nicholas A.; Hoyt, Jordan M.; Campeau, Louis-Charles; Chirik, Paul J.","Nickel-Catalyzed Asymmetric Alkene Hydrogenation of α,β-Unsaturated Esters: High-Throughput Experimentation-Enabled Reaction Discovery, Optimization, and Mechanistic Elucidation.","Journal of the American Chemical Society","2016","138","10","3562","3569","10.1021/jacs.6b00519","","","0.71073","MoKα","","0.0678","0.046","","","0.1101","0.1207","","","","","","1.034","","","","has coordinates","240683","2020-10-21","18:00:00",""
"4130128","10.28646","0.00011","13.11062","0.00016","18.6124","0.0002","90","","90","","90","","2510.1","0.05","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 O S -","- C17 H12 O S -","- C136 H96 O8 S8 -","8","2","","Kathayat, Rahul S.; Yang, Lijun; Sattasathuchana, Tosaporn; Zoppi, Laura; Baldridge, Kim K.; Linden, Anthony; Finney, Nathaniel S.","On the Origins of Nonradiative Excited State Relaxation in Aryl Sulfoxides Relevant to Fluorescent Chemosensing.","Journal of the American Chemical Society","2016","138","49","15889","15895","10.1021/jacs.6b00572","","","0.71073","MoKα","","0.0346","0.0315","","","0.0804","0.0832","","","","","","1.036","","","","has coordinates","240692","2020-10-21","18:00:00",""
"4130133","7.8819","0.0008","12.8093","0.0013","14.6769","0.0015","90","","90","","90","","1481.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Liang, Xiao; Jiang, Shi-Zhi; Wei, Kun; Yang, Yu-Rong","Enantioselective Total Synthesis of (-)-Alstoscholarisine A.","Journal of the American Chemical Society","2016","138","8","2560","2562","10.1021/jacs.6b00625","","","0.71073","MoKα","","0.0402","0.035","","","0.0855","0.0884","","","","","","1.054","","","","has coordinates","240695","2020-10-21","18:00:00",""
"4130149","8.3517","0.0001","14.6007","0.0002","18.7457","0.0002","90","","90","","90","","2285.86","0.05","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4,4-dimethyl-3-oxo-1-(perfluorophenyl)-1,2-diphenyl-1,2,3,4- tetrahydrobenzo[c][1,5,2]diazaborinin-4-ium-1-uide","","- C27 H20 B F5 N2 O -","- C27 H20 B F5 N2 O -","- C108 H80 B4 F20 N8 O4 -","4","1","","Chernichenko, Konstantin; Lindqvist, Markus; Kótai, Bianka; Nieger, Martin; Sorochkina, Kristina; Pápai, Imre; Repo, Timo","Metal-Free sp(2)-C-H Borylation as a Common Reactivity Pattern of Frustrated 2-Aminophenylboranes.","Journal of the American Chemical Society","2016","138","14","4860","4868","10.1021/jacs.6b00819","","","1.54178","CuKα","","0.0389","0.037","","","0.0983","0.1001","","","","","","1.041","","","","has coordinates","240704","2020-10-21","18:00:00",""
"4130162","14.0399","0.001","18.7329","0.0014","25.5734","0.0018","90","","90","","90","","6726","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C74 H70 Cl4 O2 P2 -","- C74 H70 Cl4 O2 P2 -","- C296 H280 Cl16 O8 P8 -","4","1","","Liu, Yang; Xie, Yinjun; Wang, Hongli; Huang, Hanmin","Enantioselective Aminomethylamination of Conjugated Dienes with Aminals Enabled by Chiral Palladium Complex-Catalyzed C-N Bond Activation.","Journal of the American Chemical Society","2016","138","13","4314","4317","10.1021/jacs.6b00976","","","0.71073","MoKα","","0.1023","0.0643","","","0.1665","0.1919","","","","","","1.017","","","","has coordinates","240715","2020-10-21","18:00:00",""
"4130187","6.5466","0.0003","14.9516","0.0006","50.431","0.002","90","","90","","90","","4936.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 F N2 O6 S -","- C25 H25 F N2 O6 S -","- C200 H200 F8 N16 O48 S8 -","8","2","","Trost, Barry M.; Saget, Tanguy; Hung, Chao-I Joey","Direct Catalytic Asymmetric Mannich Reactions for the Construction of Quaternary Carbon Stereocenters.","Journal of the American Chemical Society","2016","138","11","3659","3662","10.1021/jacs.6b01187","","","1.54178","CuKα","","0.0434","0.0421","","","0.1081","0.1093","","","","","","1.033","","","","has coordinates,has disorder","240725","2020-10-21","18:00:00",""
"4130201","8.8403","0.0007","9.8113","0.0007","18.8722","0.0014","90","","90","","90","","1636.9","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O -","- C19 H18 Br N O -","- C76 H72 Br4 N4 O4 -","4","1","","Liu, Ren-Rong; Li, Bao-Le; Lu, Jun; Shen, Chong; Gao, Jian-Rong; Jia, Yi-Xia","Palladium/l-Proline-Catalyzed Enantioselective α-Arylative Desymmetrization of Cyclohexanones.","Journal of the American Chemical Society","2016","138","16","5198","5201","10.1021/jacs.6b01214","","","0.71073","MoKα","","0.0879","0.0396","","","0.0757","0.0909","","","","","","1.018","","","","has coordinates","240731","2020-10-21","18:00:00",""
"4130246","5.8695","0.0003","9.7673","0.0005","33.518","0.0018","90","","90","","90","","1921.56","0.17","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C84 H80 N8 O24 -","4","1","","Park, Jung-Woo; Chen, Zhiwei; Dong, Vy M.","Rhodium-Catalyzed Enantioselective Cycloisomerization to Cyclohexenes Bearing Quaternary Carbon Centers.","Journal of the American Chemical Society","2016","138","10","3310","3313","10.1021/jacs.6b01445","","","0.71073","MoKα","","0.0334","0.0304","","","0.0742","0.076","","","","","","1.032","","","","has coordinates","240748","2020-10-21","18:00:00",""
"4130256","8.665","0.002","18.938","0.004","21.097","0.005","90","","90","","90","","3462","1.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 N2 O8 S2 -","- C34 H38 N2 O8 S2 -","- C136 H152 N8 O32 S8 -","4","1","","Hatano, Miyuki; Ebe, Yusuke; Nishimura, Takahiro; Yorimitsu, Hideki","Asymmetric Alkylation of N-Sulfonylbenzamides with Vinyl Ethers via C-H Bond Activation Catalyzed by Hydroxoiridium/Chiral Diene Complexes.","Journal of the American Chemical Society","2016","138","12","4010","4013","10.1021/jacs.6b01591","","","1.54187","CuKα","","0.0416","0.0355","","","0.0857","0.0872","","","","","","1.022","","","","has coordinates","240758","2020-10-21","18:00:00",""
"4130266","16.145","0.003","17.072","0.003","41.943","0.008","90","","90","","90","","11561","4","173.15","","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C114 H100 Au6 B2 F8 N2 P6 -","- C114 H100 Au6 B2 F8 N2 P6 -","- C456 H400 Au24 B8 F32 N8 P24 -","4","1","","He, Xin; Wang, Yuechao; Jiang, Hong; Zhao, Liang","Structurally Well-Defined Sigmoidal Gold Clusters: Probing the Correlation between Metal Atom Arrangement and Chiroptical Response.","Journal of the American Chemical Society","2016","138","17","5634","5643","10.1021/jacs.6b01658","","","0.71073","MoKα","","0.0915","0.0762","","","0.2","0.2188","","","","","","1.053","","","","has coordinates","240767","2020-10-21","18:00:00",""
"4130308","7.7585","0.0006","9.1039","0.0007","26.2256","0.0017","90","","90","","90","","1852.4","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Liu, Wen-Bo; Okamoto, Noriko; Alexy, Eric J.; Hong, Allen Y.; Tran, Kristy; Stoltz, Brian M.","Enantioselective γ-Alkylation of α,β-Unsaturated Malonates and Ketoesters by a Sequential Ir-Catalyzed Asymmetric Allylic Alkylation/Cope Rearrangement.","Journal of the American Chemical Society","2016","138","16","5234","5237","10.1021/jacs.6b02153","","","1.54178","CuKα","","0.0418","0.0402","","","0.1023","0.1032","","","","","","1.078","","","","has coordinates","240789","2020-10-21","18:00:00",""
"4130309","6.1787","0.0008","9.0018","0.0011","29.47","0.003","90","","90","","90","","1639.1","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Liu, Wen-Bo; Okamoto, Noriko; Alexy, Eric J.; Hong, Allen Y.; Tran, Kristy; Stoltz, Brian M.","Enantioselective γ-Alkylation of α,β-Unsaturated Malonates and Ketoesters by a Sequential Ir-Catalyzed Asymmetric Allylic Alkylation/Cope Rearrangement.","Journal of the American Chemical Society","2016","138","16","5234","5237","10.1021/jacs.6b02153","","","1.54178","CuKα","","0.0276","0.0269","","","0.0674","0.068","","","","","","1.065","","","","has coordinates,has disorder","240790","2020-10-21","18:00:00",""
"4130315","4.7621","0.0002","8.4156","0.0004","22.4052","0.0012","90","","90","","90","","897.91","0.07","181","2","181","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","","Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément","Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans.","Journal of the American Chemical Society","2016","138","12","4014","4017","10.1021/jacs.6b02158","","x-ray","1.5418","CuKα","","0.0454","0.0425","","","0.1172","0.12","","","","","","1.069","","","","has coordinates","240793","2020-10-21","18:00:00",""
"4130316","7.43203","0.00005","8.92309","0.00005","21.25373","0.00013","90","","90","","90","","1409.48","0.015","180","0.14","180","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément","Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans.","Journal of the American Chemical Society","2016","138","12","4014","4017","10.1021/jacs.6b02158","","x-ray","1.54184","CuKα","","0.0263","0.0254","","","0.0639","0.0646","","","","","","1.079","","","","has coordinates","240794","2020-10-21","18:00:00",""
"4130321","10.2511","0.0014","12.0614","0.0017","16.84","0.002","90","","90","","90","","2082.1","0.5","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Rh -","- C28 H29 Rh -","- C112 H116 Rh4 -","4","1","","Zheng, Jun; Cui, Wen-Jun; Zheng, Chao; You, Shu-Li","Synthesis and Application of Chiral Spiro Cp Ligands in Rhodium-Catalyzed Asymmetric Oxidative Coupling of Biaryl Compounds with Alkenes.","Journal of the American Chemical Society","2016","138","16","5242","5245","10.1021/jacs.6b02302","","","0.71073","MoKα","","0.0666","0.0452","","","0.0877","0.096","","","","","","1.025","","","","has coordinates","240799","2020-10-21","18:00:00",""
"4130322","7.156","0.003","14.439","0.006","23.483","0.009","90","","90","","90","","2426.4","1.7","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 O2 Rh -","- C30 H33 O2 Rh -","- C120 H132 O8 Rh4 -","4","1","","Zheng, Jun; Cui, Wen-Jun; Zheng, Chao; You, Shu-Li","Synthesis and Application of Chiral Spiro Cp Ligands in Rhodium-Catalyzed Asymmetric Oxidative Coupling of Biaryl Compounds with Alkenes.","Journal of the American Chemical Society","2016","138","16","5242","5245","10.1021/jacs.6b02302","","","0.71073","MoKα","","0.0999","0.0463","","","0.0838","0.0996","","","","","","0.982","","","","has coordinates","240800","2020-10-21","18:00:00",""
"4130328","13.6225","0.001","16.3106","0.0008","19.6114","0.0011","90","","90","","90","","4357.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H65 B2 K O2 -","- C48 H65 B2 K O2 -","- C192 H260 B8 K4 O8 -","4","1","","Kaese, Thomas; Hübner, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Forming B-B Bonds by the Controlled Reduction of a Tetraaryl-diborane(6).","Journal of the American Chemical Society","2016","138","19","6224","6233","10.1021/jacs.6b02303","","","0.71073","MoKα","","0.078","0.0668","","","0.182","0.1907","","","","","","1.038","","","","has coordinates,has disorder","265214","2021-05-14","09:19:08",""
"4130401","10.5376","0.0008","13.4923","0.001","13.7084","0.0011","90","","90","","90","","1949","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C96 H76 Cl4 O16 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.0394","0.0345","","","0.0815","0.0855","","","","","","1.036","","","","has coordinates","240842","2020-10-21","18:00:00",""
"4130402","6.2378","0.0012","11.146","0.002","23.681","0.005","90","","90","","90","","1646.5","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl O4 -","- C19 H17 Cl O4 -","- C76 H68 Cl4 O16 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.0455","0.0403","","","0.0982","0.1014","","","","","","1.052","","","","has coordinates","240843","2020-10-21","18:00:00",""
"4130403","6.0467","0.0004","9.9294","0.0008","27.622","0.002","90","","90","","90","","1658.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.052","0.0324","","","0.0698","0.077","","","","","","0.884","","","","has coordinates","240844","2020-10-21","18:00:00",""
"4130404","6.6769","0.0005","12.7034","0.0012","23.779","0.002","90","","90","","90","","2016.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C96 H76 Cl4 O16 -","4","1","","Zhang, Guoxiang; Yang, Shuang; Zhang, Xiaoyan; Lin, Qiqiao; Das, Deb K.; Liu, Jian; Fang, Xinqiang","Dynamic Kinetic Resolution Enabled by Intramolecular Benzoin Reaction: Synthetic Applications and Mechanistic Insights.","Journal of the American Chemical Society","2016","138","25","7932","7938","10.1021/jacs.6b02929","","","0.71073","MoKα","","0.0878","0.0789","","","0.23","0.2413","","","","","","1.091","","","","has coordinates","240845","2020-10-21","18:00:00",""
"4130418","8.0463","0.0004","16.1268","0.0007","22.1134","0.001","90","","90","","90","","2869.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","LC3","","","- C31 H47 Au Cl3 P -","- C31 H47 Au Cl3 P -","- C124 H188 Au4 Cl12 P4 -","4","1","","Chen, Liye; Ren, Peng; Carrow, Brad P.","Tri(1-adamantyl)phosphine: Expanding the Boundary of Electron-Releasing Character Available to Organophosphorus Compounds.","Journal of the American Chemical Society","2016","138","20","6392","6395","10.1021/jacs.6b03215","","","0.71073","MoKα","","0.0345","0.0311","","","0.0669","0.0677","","","","","","1.105","","","","has coordinates","240857","2020-10-21","18:00:00",""
"4130475","5.1684","0.0001","17.27","0.0004","36.9053","0.0008","90","","90","","90","","3294.1","0.12","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O2 -","- C19 H30 O2 -","- C152 H240 O16 -","8","2","","Lu, Hai-Hua; Pronin, Sergey V.; Antonova-Koch, Yevgeniya; Meister, Stephan; Winzeler, Elizabeth A.; Shenvi, Ryan A.","Synthesis of (+)-7,20-Diisocyanoadociane and Liver-Stage Antiplasmodial Activity of the Isocyanoterpene Class.","Journal of the American Chemical Society","2016","138","23","7268","7271","10.1021/jacs.6b03899","","x-ray","1.54178","CuKα","","0.0334","0.0323","","","0.0884","0.0892","","","","","","1.051","","","","has coordinates","240899","2020-10-21","18:00:00",""
"4130495","12.4064","0.0006","13.3489","0.0007","20.4516","0.001","90","","90","","90","","3387","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Cl10 N3 O2 S -","- C23 H33 Cl10 N3 O2 S -","- C92 H132 Cl40 N12 O8 S4 -","4","1","","Lathrop, Stephen P.; Pompeo, Matthew; Chang, Wen-Tau T; Movassaghi, Mohammad","Convergent and Biomimetic Enantioselective Total Synthesis of (-)-Communesin F.","Journal of the American Chemical Society","2016","138","24","7763","7769","10.1021/jacs.6b04072","","","0.71073","MoKα","","0.0325","0.027","","","0.0594","0.0617","","","","","","1.041","","","","has coordinates","240912","2020-10-21","18:00:00",""
"4130496","14.5823","0.001","16.3674","0.0012","17.4983","0.0012","90","","90","","90","","4176.4","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br F3 N2 O -","- C21 H22 Br F3 N2 O -","- C168 H176 Br8 F24 N16 O8 -","8","2","","Lin, Jin-Shun; Dong, Xiao-Yang; Li, Tao-Tao; Jiang, Na-Chuan; Tan, Bin; Liu, Xin-Yuan","A Dual-Catalytic Strategy To Direct Asymmetric Radical Aminotrifluoromethylation of Alkenes.","Journal of the American Chemical Society","2016","138","30","9357","9360","10.1021/jacs.6b04077","","","1.54178","CuKα","","0.0221","0.022","","","0.0583","0.0585","","","","","","1.063","","","","has coordinates","240913","2020-10-21","18:00:00",""
"4130501","7.5167","0.0017","11.505","0.003","26.098","0.007","90","","90","","90","","2256.9","1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O2 -","- C11 H20 O2 -","- C88 H160 O16 -","8","2","","Börjesson, Marino; Moragas, Toni; Martin, Ruben","Ni-Catalyzed Carboxylation of Unactivated Alkyl Chlorides with CO2.","Journal of the American Chemical Society","2016","138","24","7504","7507","10.1021/jacs.6b04088","","","0.71073","MoKα","","0.1221","0.0964","","","0.2468","0.2614","","","","","","1.138","","","","has coordinates","240916","2020-10-21","18:00:00",""
"4130515","5.8337","0.0004","14.6798","0.001","20.8894","0.0015","90","","90","","90","","1788.9","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.0342","0.033","","","0.084","0.0846","","","","","","1.11","","","","has coordinates","240922","2020-10-21","18:00:00",""
"4130516","6.0546","0.0006","15.0183","0.0016","18.7832","0.0019","90","","90","","90","","1708","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Cl O2 -","- C21 H19 Cl O2 -","- C84 H76 Cl4 O8 -","4","1","","Clarke, Christopher; Incerti-Pradillos, Celia A; Lam, Hon Wai","Enantioselective Nickel-Catalyzed anti-Carbometallative Cyclizations of Alkynyl Electrophiles Enabled by Reversible Alkenylnickel E/Z Isomerization.","Journal of the American Chemical Society","2016","138","26","8068","8071","10.1021/jacs.6b04206","","x-ray","1.54184","CuKα","","0.0357","0.0315","","","0.0761","0.0795","","","","","","1.047","","","","has coordinates","240923","2020-10-21","18:00:00",""
"4130529","9.7547","0.0003","12.6902","0.0003","17.196","0.0004","90","","90","","90","","2128.68","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C100 H92 N4 O12 S4 -","4","1","","Guo, Chang; Fleige, Mirco; Janssen-Müller, Daniel; Daniliuc, Constantin G.; Glorius, Frank","Cooperative N-Heterocyclic Carbene/Palladium-Catalyzed Enantioselective Umpolung Annulations.","Journal of the American Chemical Society","2016","138","25","7840","7843","10.1021/jacs.6b04364","","","1.54178","CuKα","","0.0357","0.032","","","0.074","0.0761","","","","","","1.079","","","","has coordinates","240936","2020-10-21","18:00:00",""
"4130551","9.0142","0.00014","10.94112","0.00014","38.4416","0.0006","90","","90","","90","","3791.32","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-(/aMe)Val(-OtBu)-FUM-(Aib)4-Gly-NH2","","","- C32 H55 N7 O9 -","- C32 H55 N7 O9 -","- C128 H220 N28 O36 -","4","1","","Mazzier, Daniela; Crisma, Marco; De Poli, Matteo; Marafon, Giulia; Peggion, Cristina; Clayden, Jonathan; Moretto, Alessandro","Helical Foldamers Incorporating Photoswitchable Residues for Light-Mediated Modulation of Conformational Preference.","Journal of the American Chemical Society","2016","138","25","8007","8018","10.1021/jacs.6b04435","","","1.54178","CuKα","","0.0438","0.0406","","","0.1098","0.1126","","","","","","1.031","","","","has coordinates","240959","2020-10-21","18:00:00",""
"4130552","12.78876","0.00014","21.3074","0.0002","42.2055","0.0006","90","","90","","90","","11500.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-(/aMe)Val(-OtBu)-MAL-Aib-OMe","","","- C19 H32 N2 O6 -","- C19 H32 N2 O6 -","- C380 H640 N40 O120 -","20","5","","Mazzier, Daniela; Crisma, Marco; De Poli, Matteo; Marafon, Giulia; Peggion, Cristina; Clayden, Jonathan; Moretto, Alessandro","Helical Foldamers Incorporating Photoswitchable Residues for Light-Mediated Modulation of Conformational Preference.","Journal of the American Chemical Society","2016","138","25","8007","8018","10.1021/jacs.6b04435","","","1.54178","CuKα","","0.0601","0.0525","","","0.1481","0.1558","","","","","","1.044","","","","has coordinates","240960","2020-10-21","18:00:00",""
"4130575","7.9663","0.0005","12.2238","0.0006","16.0261","0.001","90","","90","","90","","1560.6","0.16","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 Br O3 -","- C16 H23 Br O3 -","- C64 H92 Br4 O12 -","4","1","","Martinez, Luisruben P.; Umemiya, Shigenobu; Wengryniuk, Sarah E.; Baran, Phil S.","11-Step Total Synthesis of Pallambins C and D.","Journal of the American Chemical Society","2016","138","24","7536","7539","10.1021/jacs.6b04816","","x-ray","0.71073","MoKα","","0.0456","0.0342","","","0.0611","0.0644","","","","","","1.017","","","","has coordinates","240975","2020-10-21","18:00:00",""
"4130586","8.572","0.0001","11.0335","0.0001","17.8845","0.0002","90","","90","","90","","1691.5","0.03","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Ni, Chunjie; Tong, Xiaofeng","Amine-Catalyzed Asymmetric (3 + 3) Annulations of β'-Acetoxy Allenoates: Enantioselective Synthesis of 4H-Pyrans.","Journal of the American Chemical Society","2016","138","25","7872","7875","10.1021/jacs.6b04935","","","1.54178","CuKα","","0.0282","0.028","","","0.0738","0.074","","","","","","1.072","","","","has coordinates","240986","2020-10-21","18:00:00",""
"4130638","12.4162","0.0005","14.0091","0.0006","19.4439","0.0008","90","","90","","90","","3382.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 I2 P2 Pt -","- C8 H24 I2 P2 Pt -","- C64 H192 I16 P16 Pt8 -","8","2","","Levin, Mark D.; Kaphan, David M.; Hong, Cynthia M.; Bergman, Robert G.; Raymond, Kenneth N.; Toste, F. Dean","Scope and Mechanism of Cooperativity at the Intersection of Organometallic and Supramolecular Catalysis.","Journal of the American Chemical Society","2016","138","30","9682","9693","10.1021/jacs.6b05442","","","0.71073","MoKα","","0.0703","0.0655","","","0.1604","0.1632","","","","","","1.012","","","","has coordinates","241031","2020-10-21","18:00:00",""
"4130681","7.0524","0.001","15.8433","0.0022","25.4267","0.0031","90","0","90","0","90","0","2841","0.7","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl2 N2 O7 S2 -","- C28 H25 Cl2 N2 O7 S2.375 -","- C112 H100 Cl8 N8 O28 S9.5 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0416","","","","0.0989","","","","","","1","","","","has coordinates","241071","2020-10-21","18:00:00",""
"4130682","7.2097","0.0016","15.714","0.004","15.938","0.004","90","","90","","90","","1805.7","0.8","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 Cl N2 O6 -","- C20 H13 Cl N2 O6 -","- C80 H52 Cl4 N8 O24 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0393","","","","0.0883","","","","","","1","","","","has coordinates","241072","2020-10-21","18:00:00",""
"4130685","10.5269","0.0013","11.2332","0.0014","26.231","0.003","90","","90","","90","","3101.8","0.6","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 Cl2 N O5 S -","- C34 H35 Cl2 N O5 S -","- C136 H140 Cl8 N4 O20 S4 -","4","1","","Touge, Taichiro; Nara, Hideki; Fujiwhara, Mitsuhiko; Kayaki, Yoshihito; Ikariya, Takao","Efficient Access to Chiral Benzhydrols via Asymmetric Transfer Hydrogenation of Unsymmetrical Benzophenones with Bifunctional Oxo-Tethered Ruthenium Catalysts.","Journal of the American Chemical Society","2016","138","32","10084","10087","10.1021/jacs.6b05738","","","0.71075","MoKα","","","0.0467","","","","0.1116","","","","","","1","","","","has coordinates","241075","2020-10-21","18:00:00",""
"4130692","8.2713","0.0001","17.2458","0.0002","18.0598","0.0002","90","","90","","90","","2576.14","0.05","289","2","289","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O3 -","- C30 H36 N2 O3 -","- C120 H144 N8 O12 -","4","1","","Liu, Zhao-Jing; Lu, Xi; Wang, Guan; Li, Lei; Jiang, Wei-Tao; Wang, Yu-Dong; Xiao, Bin; Fu, Yao","Directing Group in Decarboxylative Cross-Coupling: Copper-Catalyzed Site-Selective C-N Bond Formation from Nonactivated Aliphatic Carboxylic Acids.","Journal of the American Chemical Society","2016","138","30","9714","9719","10.1021/jacs.6b05788","","","1.54184","CuKα","","0.0396","0.0357","","","0.1045","0.1128","","","","","","1.081","","","","has coordinates","241080","2020-10-21","18:00:00",""
"4130732","6.6302","0.0002","7.9041","0.0002","26.5947","0.0008","90","","90","","90","","1393.72","0.07","125","2","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aR,7aS)-3a-(3,4-Dimethoxyphenyl)hexahydrobenzofuran-2,4-dione","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","","Wu, Xuesong; Chen, Zhiwei; Bai, Yu-Bin; Dong, Vy M.","Diastereodivergent Construction of Bicyclic γ-Lactones via Enantioselective Ketone Hydroacylation.","Journal of the American Chemical Society","2016","138","37","12013","12016","10.1021/jacs.6b06227","","x-ray","1.54178","CuKα","","0.0284","0.0281","","","0.0721","0.0725","","","","","","1.084","","","","has coordinates","241112","2020-10-21","18:00:00",""
"4130734","5.8192","0.0001","8.5684","0.0002","29.2539","0.0005","90","","90","","90","","1458.64","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3aS,7aS)-3a-Benzyl-6,6-dimethylhexahydrobenzofuran-2,4-dione","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Wu, Xuesong; Chen, Zhiwei; Bai, Yu-Bin; Dong, Vy M.","Diastereodivergent Construction of Bicyclic γ-Lactones via Enantioselective Ketone Hydroacylation.","Journal of the American Chemical Society","2016","138","37","12013","12016","10.1021/jacs.6b06227","","","1.54178","CuKα","","0.0337","0.0327","","","0.0837","0.0844","","","","","","1.1","","","","has coordinates","241114","2020-10-21","18:00:00",""
"4130760","4.0008","0.0015","17.707","0.007","24.219","0.011","90","","90","","90","","1715.7","1.2","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br S -","- C22 H19 Br S -","- C88 H76 Br4 S4 -","4","1","","Meng, Lingkui; Fujikawa, Takao; Kuwayama, Motonobu; Segawa, Yasutomo; Itami, Kenichiro","Thiophene-Fused π-Systems from Diarylacetylenes and Elemental Sulfur.","Journal of the American Chemical Society","2016","138","32","10351","10355","10.1021/jacs.6b06486","","","0.71075","MoKα","","0.0389","0.0326","","","0.0674","0.069","","","","","","0.948","","","","has coordinates","241128","2020-10-21","18:00:00",""
"4130820","6.7967","0.0014","15.8","0.004","23.896","0.005","90","","90","","90","","2566.1","1","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br F3 N4 O4 -","- C26 H22 Br F3 N4 O4 -","- C104 H88 Br4 F12 N16 O16 -","4","1","","Momiyama, Norie; Tabuse, Hideaki; Noda, Hirofumi; Yamanaka, Masahiro; Fujinami, Takeshi; Yamanishi, Katsunori; Izumiseki, Atsuto; Funayama, Kosuke; Egawa, Fuyuki; Okada, Shino; Adachi, Hiroaki; Terada, Masahiro","Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels-Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid-Monophosphoric Acid.","Journal of the American Chemical Society","2016","138","35","11353","11359","10.1021/jacs.6b07150","","","0.71075","MoKα","","0.1145","0.0929","","","0.147","0.1556","","","","","","1.21","","","","has coordinates","241180","2020-10-21","18:00:00",""
"4130821","9.777","0.0018","14.488","0.003","38.079","0.007","90","","90","","90","","5393.9","1.8","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H63 O8 P Si -","- C65 H63 O8 P Si -","- C260 H252 O32 P4 Si4 -","4","1","","Momiyama, Norie; Tabuse, Hideaki; Noda, Hirofumi; Yamanaka, Masahiro; Fujinami, Takeshi; Yamanishi, Katsunori; Izumiseki, Atsuto; Funayama, Kosuke; Egawa, Fuyuki; Okada, Shino; Adachi, Hiroaki; Terada, Masahiro","Molecular Design of a Chiral Brønsted Acid with Two Different Acidic Sites: Regio-, Diastereo-, and Enantioselective Hetero-Diels-Alder Reaction of Azopyridinecarboxylate with Amidodienes Catalyzed by Chiral Carboxylic Acid-Monophosphoric Acid.","Journal of the American Chemical Society","2016","138","35","11353","11359","10.1021/jacs.6b07150","","","0.71075","MoKα","","0.0734","0.0584","","","0.1092","0.1171","","","","","","1.007","","","","has coordinates,has disorder","241181","2020-10-21","18:00:00",""
"4130834","7.9066","0.0005","17.551","0.0013","22.4279","0.0018","90","","90","","90","","3112.3","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cl3 Mg N3 O -","- C30 H44 Cl3 Mg N3 O -","- C120 H176 Cl12 Mg4 N12 O4 -","4","1","","Rosen, Tomer; Goldberg, Israel; Venditto, Vincenzo; Kol, Moshe","Tailor-Made Stereoblock Copolymers of Poly(lactic acid) by a Truly Living Polymerization Catalyst.","Journal of the American Chemical Society","2016","138","37","12041","12044","10.1021/jacs.6b07287","","","0.71073","MoKα","","0.0733","0.0634","","","0.1638","0.1718","","","","","","1.045","","","","has coordinates","241194","2020-10-21","18:00:00",""
"4130836","8.0406","0.0004","15.0059","0.0007","33.2314","0.0016","90","","90","","90","","4009.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H58 Hf O Si2 Sn -","- C42 H58 Hf O Si2 Sn -","- C168 H232 Hf4 O4 Si8 Sn4 -","4","1","","Kuwabara, Takuya; Nakada, Marisa; Hamada, Jumpei; Guo, Jing Dong; Nagase, Shigeru; Saito, Masaichi","(η(4)-Butadiene)Sn(0) Complexes: A New Approach for Zero-Valent p-Block Elements Utilizing a Butadiene as a 4π-Electron Donor.","Journal of the American Chemical Society","2016","138","35","11378","11382","10.1021/jacs.6b07304","","","0.71073","MoKα","","0.037","0.0331","","","0.0623","0.0637","","","","","","1.001","","","","has coordinates","241195","2020-10-21","18:00:00",""
"4130860","5.355","0.0003","8.9629","0.0005","28.7336","0.0016","90","","90","","90","","1379.11","0.13","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O4 S -","- C14 H18 O4 S -","- C56 H72 O16 S4 -","4","1","","Erickson, Lucas W.; Lucas, Erika L.; Tollefson, Emily J.; Jarvo, Elizabeth R.","Nickel-Catalyzed Cross-Electrophile Coupling of Alkyl Fluorides: Stereospecific Synthesis of Vinylcyclopropanes.","Journal of the American Chemical Society","2016","138","42","14006","14011","10.1021/jacs.6b07567","","","0.71073","MoKα","","0.0288","0.0274","","","0.0697","0.0708","","","","","","1.054","","","","has coordinates","241218","2020-10-21","18:00:00",""
"4130868","16.931","0.003","18.21","0.004","25.511","0.004","90","","90","","90","","7865","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cucurbituril+Nandrolone","","- C60 H68 N28 O34 -","- C60 H68 N28 O34 -","- C240 H272 N112 O136 -","4","1","","Lazar, Alexandra I.; Biedermann, Frank; Mustafina, Kamila R.; Assaf, Khaleel I.; Hennig, Andreas; Nau, Werner M.","Nanomolar Binding of Steroids to Cucurbit[n]urils: Selectivity and Applications.","Journal of the American Chemical Society","2016","138","39","13022","13029","10.1021/jacs.6b07655","","","0.71073","MoKα","","0.1642","0.1091","","","0.2671","0.3273","","","","","","1.102","","","","has coordinates","241226","2020-10-21","18:00:00",""
"4130874","9.8543","0.0004","13.1873","0.0006","15.4684","0.0007","90","","90","","90","","2010.14","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Br N2 O3 -","- C22 H21 Br N2 O3 -","- C88 H84 Br4 N8 O12 -","4","1","","Huang, Xiaoqiang; Webster, Richard D.; Harms, Klaus; Meggers, Eric","Asymmetric Catalysis with Organic Azides and Diazo Compounds Initiated by Photoinduced Electron Transfer.","Journal of the American Chemical Society","2016","138","38","12636","12642","10.1021/jacs.6b07692","","","0.71073","MoKα","","0.0394","0.0376","","","0.0778","0.0787","","","","","","1.152","","","","has coordinates,has disorder","241232","2020-10-21","18:00:00",""
"4130937","12.5207","0.0005","18.3664","0.0009","20.2423","0.001","90","","90","","90","","4654.9","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H34 F3 N2 O3 P Pd S -","- C51 H34 F3 N2 O3 P Pd S -","- C204 H136 F12 N8 O12 P4 Pd4 S4 -","4","1","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","0.56085","AgKα","","0.0523","0.0438","","","0.1185","0.1259","","","","","","0.958","","","","has coordinates","241269","2020-10-21","18:00:00",""
"4130940","13.455","0.0005","14.1052","0.0006","23.7803","0.0009","90","","90","","90","","4513.2","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H38 Cl2 Cu F6 N4 P -","- C51 H38 Cl2 Cu F6 N4 P -","- C204 H152 Cl8 Cu4 F24 N16 P4 -","4","1","","Ramírez-López, Pedro; Ros, Abel; Romero-Arenas, Antonio; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M","Synthesis of IAN-type N,N-Ligands via Dynamic Kinetic Asymmetric Buchwald-Hartwig Amination.","Journal of the American Chemical Society","2016","138","37","12053","12056","10.1021/jacs.6b07972","","","0.56085","AgKα","","0.0777","0.0643","","","0.1826","0.1906","","","","","","1.376","","","","has coordinates","241272","2020-10-21","18:00:00",""
"4130970","9.727","0.002","17.75","0.003","25.98","0.003","90","","90","","90","","4485.6","1.3","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44.5 H76.5 N6 O7 -","- C41 H68 N6 O7 -","- C164 H272 N24 O28 -","4","1","","Shin, Seonho; Lee, Mihye; Guzei, Ilia A.; Kang, Young Kee; Choi, Soo Hyuk","12/10-Helical β-Peptide with Dynamic Folding Propensity: Coexistence of Right- and Left-Handed Helices in an Enantiomeric Foldamer.","Journal of the American Chemical Society","2016","138","40","13390","13395","10.1021/jacs.6b08235","","x-ray","1.54178","CuKα","","0.0458","0.0361","","","0.0782","0.0821","","","","","","1.03","","","","has coordinates","241294","2020-10-21","18:00:00",""
"4131004","13.6583","0.0012","13.9494","0.0013","20.992","0.0016","90","","90","","90","","3999.5","0.6","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H51 B Co F4 N3 O4 -","- C45 H51 B Co F4 N3 O4 -","- C180 H204 B4 Co4 F16 N12 O16 -","4","1","","Wang, Chun-Chieh; Chang, Hao-Ching; Lai, Yei-Chen; Fang, Huayi; Li, Chieh-Chin; Hsu, Hung-Kai; Li, Zong-Yan; Lin, Tien-Sung; Kuo, Ting-Shen; Neese, Frank; Ye, Shengfa; Chiang, Yun-Wei; Tsai, Ming-Li; Liaw, Wen-Feng; Lee, Way-Zen","A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2016","138","43","14186","14189","10.1021/jacs.6b08642","","","0.71073","MoKα","","0.0771","0.0578","","","0.1596","0.1855","","","","","","1.103","","","","has coordinates","241327","2020-10-21","18:00:00",""
"4131005","13.5048","0.0014","13.8737","0.0015","21.217","0.003","90","","90","","90","","3975.2","0.8","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H54 Co N3 O7 -","- C45 H54 Co N3 O7 -","- C180 H216 Co4 N12 O28 -","4","1","","Wang, Chun-Chieh; Chang, Hao-Ching; Lai, Yei-Chen; Fang, Huayi; Li, Chieh-Chin; Hsu, Hung-Kai; Li, Zong-Yan; Lin, Tien-Sung; Kuo, Ting-Shen; Neese, Frank; Ye, Shengfa; Chiang, Yun-Wei; Tsai, Ming-Li; Liaw, Wen-Feng; Lee, Way-Zen","A Structurally Characterized Nonheme Cobalt-Hydroperoxo Complex Derived from Its Superoxo Intermediate via Hydrogen Atom Abstraction.","Journal of the American Chemical Society","2016","138","43","14186","14189","10.1021/jacs.6b08642","","","0.71073","MoKα","","0.0437","0.0381","","","0.0979","0.1015","","","","","","1.035","","","","has coordinates","241327","2020-10-21","18:00:00",""
"4131039","5.78299","0.00006","12.5407","0.00014","17.36504","0.00015","90","","90","","90","","1259.36","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Cai, Aijie; Guo, Wusheng; Martínez-Rodríguez, Luis; Kleij, Arjan W.","Palladium-Catalyzed Regio- and Enantioselective Synthesis of Allylic Amines Featuring Tetrasubstituted Tertiary Carbons.","Journal of the American Chemical Society","2016","138","43","14194","14197","10.1021/jacs.6b08841","","","0.7107","MoKα","","0.0278","0.026","","","0.0787","0.0796","","","","","","1.109","","","","has coordinates,has disorder","241347","2020-10-21","18:00:00",""
"4131067","8.09548","0.00014","19.5379","0.0003","27.0319","0.0004","90","","90","","90","","4275.6","0.12","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Cl4 N7 Pd2 S -","- C40 H41 Cl4 N7 Pd2 S -","- C160 H164 Cl16 N28 Pd8 S4 -","4","1","","Mikherdov, Alexander S.; Kinzhalov, Mikhail A.; Novikov, Alexander S.; Boyarskiy, Vadim P.; Boyarskaya, Irina A.; Dar'in, Dmitry V.; Starova, Galina L.; Kukushkin, Vadim Yu","Difference in Energy between Two Distinct Types of Chalcogen Bonds Drives Regioisomerization of Binuclear (Diaminocarbene)Pd<sup>II</sup> Complexes.","Journal of the American Chemical Society","2016","138","42","14129","14137","10.1021/jacs.6b09133","","","0.71073","MoKα","","0.03","0.0282","","","0.0719","0.073","","","","","","1.077","","","","has coordinates","241370","2020-10-21","18:00:00",""
"4131084","11.0829","0.0002","19.9964","0.0004","25.5461","0.0005","90","","90","","90","","5661.48","0.19","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H58 F12 N6 O2 S2 -","- C58 H58 F12 N6 O2 S2 -","- C232 H232 F48 N24 O8 S8 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","0.71073","MoKα","","0.07","0.0645","","","0.1696","0.1756","","","","","","1.043","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131091","7.4063","0.0002","20.7172","0.0005","24.9402","0.0006","90","","90","","90","","3826.77","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 F12 N6 O4 -","- C34 H42 F12 N6 O4 -","- C136 H168 F48 N24 O16 -","4","1","","Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N.","Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis.","Journal of the American Chemical Society","2016","138","41","13525","13528","10.1021/jacs.6b09205","","","1.54178","CuKα","","0.0308","0.0299","","","0.0799","0.0808","","","","","","1.049","","","","has coordinates,has disorder","241382","2020-10-21","18:00:00",""
"4131120","4.486","0.0002","6.8678","0.0003","27.2439","0.0011","90","","90","","90","","839.36","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 F O2 -","- C10 H9 F O2 -","- C40 H36 F4 O8 -","4","1","","Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N.","Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source.","Journal of the American Chemical Society","2016","138","42","13858","13861","10.1021/jacs.6b09499","","","1.54178","CuKα","","0.0258","0.0245","","","0.0631","0.065","","","","","","1.08","","","","has coordinates","241410","2020-10-21","18:00:00",""
"4131151","12.636","0.003","12.616","0.003","23.911","0.005","90","","90","","90","","3811.8","1.5","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 F3 N2 O3 -","- C21 H15 F3 N2 O3 -","- C168 H120 F24 N16 O24 -","8","2","","Douki, Kazuya; Ono, Hiroyuki; Taniguchi, Tohru; Shimokawa, Jun; Kitamura, Masato; Fukuyama, Tohru","Enantioselective Total Synthesis of (+)-Hinckdentine A via a Catalytic Dearomatization Approach.","Journal of the American Chemical Society","2016","138","44","14578","14581","10.1021/jacs.6b10237","","","0.71075","MoKα","","","0.042","","","","0.1144","","","","","","1.08","","","","has coordinates","241431","2020-10-21","18:00:00",""
"4131155","5.9556","0.0011","14.713","0.003","16.417","0.004","90","","90","","90","","1438.5","0.5","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 B O2 -","- C8 H7 B O2 -","- C64 H56 B8 O16 -","8","2","","Saito, Hayate; Otsuka, Shinya; Nogi, Keisuke; Yorimitsu, Hideki","Nickel-Catalyzed Boron Insertion into the C2-O Bond of Benzofurans.","Journal of the American Chemical Society","2016","138","47","15315","15318","10.1021/jacs.6b10255","","","1.54187","CuKα","","0.0281","0.0273","","","0.0729","0.0734","","","","","","1.005","","","","has coordinates","241435","2020-10-21","18:00:00",""
"4131157","6.828","0.0014","9.559","0.0019","31.669","0.006","90","","90","","90","","2067","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O3 -","- C24 H34 O3 -","- C96 H136 O12 -","4","1","","Ren, Wenlong; Chang, Wenju; Dai, Jie; Shi, Yuan; Li, Jingfu; Shi, Yian","An Effective Pd-Catalyzed Regioselective Hydroformylation of Olefins with Formic Acid.","Journal of the American Chemical Society","2016","138","45","14864","14867","10.1021/jacs.6b10297","","","0.71073","MoKα","","0.1416","0.0688","","","0.0793","0.0953","","","","","","1.003","","","","has coordinates","241437","2020-10-21","18:00:00",""
"4131172","7.0768","0.0006","8.741","0.0006","19.9486","0.0013","90","","90","","90","","1233.99","0.16","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 F3 N2 O -","- C12 H11 F3 N2 O -","- C48 H44 F12 N8 O4 -","4","1","","Wang, Fei; Wang, Dinghai; Wan, Xiaolong; Wu, Lianqian; Chen, Pinhong; Liu, Guosheng","Enantioselective Copper-Catalyzed Intermolecular Cyanotrifluoromethylation of Alkenes via Radical Process.","Journal of the American Chemical Society","2016","138","48","15547","15550","10.1021/jacs.6b10468","","","1.54178","CuKα","","0.0587","0.0483","","","0.1367","0.1395","","","","","","1.068","","","","has coordinates","241449","2020-10-21","18:00:00",""
"4131173","7.2323","0.0004","7.7706","0.0004","20.5683","0.001","90","","90","","90","","1155.92","0.1","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F3 N -","- C12 H12 F3 N -","- C48 H48 F12 N4 -","4","1","","Wang, Fei; Wang, Dinghai; Wan, Xiaolong; Wu, Lianqian; Chen, Pinhong; Liu, Guosheng","Enantioselective Copper-Catalyzed Intermolecular Cyanotrifluoromethylation of Alkenes via Radical Process.","Journal of the American Chemical Society","2016","138","48","15547","15550","10.1021/jacs.6b10468","","","1.54178","CuKα","","0.0486","0.0471","","","0.1279","0.1305","","","","","","1.116","","","","has coordinates","241450","2020-10-21","18:00:00",""
"4131198","6.069","0.0003","16.0832","0.0008","23.2308","0.0013","90","","90","","90","","2267.5","0.2","292","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Br N O5 -","- C22 H30 Br N O5 -","- C88 H120 Br4 N4 O20 -","4","1","","Liu, Yidong; Ao, Jun; Paladhi, Sushovan; Song, Choong Eui; Yan, Hailong","Organocatalytic Asymmetric Synthesis of Chiral Dioxazinanes and Dioxazepanes with in Situ Generated Nitrones via a Tandem Reaction Pathway Using a Cooperative Cation Binding Catalyst.","Journal of the American Chemical Society","2016","138","50","16486","16492","10.1021/jacs.6b10660","","","0.71073","MoKα","","0.0923","0.0466","","","0.0639","0.0779","","","","","","1.045","","","","has coordinates","241461","2020-10-21","18:00:00",""
"4131209","6.8167","0.0003","14.7936","0.0006","15.5874","0.0006","90","","90","","90","","1571.89","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N -","- C21 H19 N -","- C84 H76 N4 -","4","1","","Jiao, Zhiwei; Chee, Kwok Wei; Zhou, Jianrong Steve","Palladium-Catalyzed Asymmetric α-Arylation of Alkylnitriles.","Journal of the American Chemical Society","2016","138","50","16240","16243","10.1021/jacs.6b11610","","","1.54178","CuKα","","0.0534","0.053","","","0.1302","0.1309","","","","","","1.18","","","","has coordinates","241473","2020-10-21","18:00:00",""
"4131217","15.8812","0.0008","19.5634","0.001","22.8793","0.0012","90","","90","","90","","7108.4","0.6","100","0.2","100","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C85.24 H72.7 Cl4.76 Ir N2 O6.74 P2 -","- C85.235 H72.705 Cl4.765 Ir N2 O6.745 P2 -","- C340.94 H290.82 Cl19.06 Ir4 N8 O26.98 P8 -","4","1","","Rössler, Simon L; Krautwald, Simon; Carreira, Erick M.","Study of Intermediates in Iridium-(Phosphoramidite,Olefin)-Catalyzed Enantioselective Allylic Substitution.","Journal of the American Chemical Society","2017","139","10","3603","3606","10.1021/jacs.6b12421","","x-ray","0.71073","MoKα","","0.0292","0.027","","","0.0589","0.0596","","","","","","1.058","","","","has coordinates,has disorder","241477","2020-10-21","18:00:00",""
"4131225","10.938","0.0003","13.7755","0.0004","24.4883","0.0007","90","","90","","90","","3689.81","0.18","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 B F4 N3 O P Pd -","- C42 H41 B F4 N3 O P Pd -","- C168 H164 B4 F16 N12 O4 P4 Pd4 -","4","1","","Guo, Chang; Janssen-Müller, Daniel; Fleige, Mirco; Lerchen, Andreas; Daniliuc, Constantin G.; Glorius, Frank","Mechanistic Studies on a Cooperative NHC Organocatalysis/Palladium Catalysis System: Uncovering Significant Lessons for Mixed Chiral Pd(NHC)(PR<sub>3</sub>) Catalyst Design.","Journal of the American Chemical Society","2017","139","12","4443","4451","10.1021/jacs.7b00462","","","1.54178","CuKα","","0.048","0.0421","","","0.0917","0.0942","","","","","","1.044","","","","has coordinates,has disorder","241480","2020-10-21","18:00:00",""
"4131253","13.1833","0.0005","14.0387","0.0005","18.8114","0.0007","90","","90","","90","","3481.5","0.2","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 Cl5 P2 Pd Sb -","- C36 H28 Cl5 P2 Pd Sb -","- C144 H112 Cl20 P8 Pd4 Sb4 -","4","1","","Sahu, Sumit; Gabbaï, François P","Photoreductive Elimination of Chlorine from Antimony in an [SbPd]<sup>VII</sup> Complex.","Journal of the American Chemical Society","2017","139","14","5035","5038","10.1021/jacs.7b01977","","","0.71073","MoKα","","0.0484","0.0367","","","0.0742","0.0792","","","","","","1.08","","","","has coordinates","241502","2020-10-21","18:00:00",""
"4131292","8.3434","0.001","9.7391","0.0011","24.416","0.002","90","","90","","90","","1984","0.4","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O4 S -","- C24 H19 N O4 S -","- C96 H76 N4 O16 S4 -","4","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","0.71075","MoKα","","0.0384","0.0322","","","0.0746","0.0768","","","","","","1.034","","","","has coordinates","241524","2020-10-21","18:00:00",""
"4131294","7.4908","0.001","16.573","0.0016","20.429","0.002","90","","90","","90","","2536.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O5 S -","- C31 H25 N O5 S -","- C124 H100 N4 O20 S4 -","4","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","","1.54187","CuKα","","0.0412","0.0386","","","0.0886","0.0911","","","","","","1.067","","","","has coordinates","241526","2020-10-21","18:00:00",""
"4131295","7.3516","0.0002","13.8595","0.0003","14.8108","0.0003","90","","90","","90","","1509.07","0.06","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 I N O2 -","- C18 H14 I N O2 -","- C72 H56 I4 N4 O8 -","4","1","","Xu, Huan; Li, Yi-Pan; Cai, Yan; Wang, Guo-Peng; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Copper- and Iron-Catalyzed Intramolecular Cyclopropanation of Indoles.","Journal of the American Chemical Society","2017","139","23","7697","7700","10.1021/jacs.7b03086","","x-ray","0.71073","MoKα","","0.0251","0.0245","","","0.0642","0.0661","","","","","","1.09","","","","has coordinates","241527","2020-10-21","18:00:00",""
"4131300","5.7924","0.0003","8.1095","0.0003","29.6243","0.0013","90","","90","","90","","1391.56","0.11","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O S -","- C16 H18 O S -","- C64 H72 O4 S4 -","4","1","","Jia, Tiezheng; Zhang, Mengnan; McCollom, Samuel P.; Bellomo, Ana; Montel, Sonia; Mao, Jianyou; Dreher, Spencer D.; Welch, Christopher J.; Regalado, Erik L.; Williamson, R. Thomas; Manor, Brian C.; Tomson, Neil C.; Walsh, Patrick J.","Palladium-Catalyzed Enantioselective Arylation of Aryl Sulfenate Anions: A Combined Experimental and Computational Study.","Journal of the American Chemical Society","2017","139","24","8337","8345","10.1021/jacs.7b03623","","","0.71075","MoKα","","0.0267","0.0264","","","0.0702","0.0704","","","","","","1.154","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4131305","7.8203","0.0017","11.336","0.003","19.356","0.004","90","","90","","90","","1715.9","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F O7 -","- C17 H19 F O7 -","- C68 H76 F4 O28 -","4","1","","Adak, Laksmikanta; Kawamura, Shintaro; Toma, Gabriel; Takenaka, Toshio; Isozaki, Katsuhiro; Takaya, Hikaru; Orita, Akihiro; Li, Ho C.; Shing, Tony K. M.; Nakamura, Masaharu","Synthesis of Aryl C-Glycosides via Iron-Catalyzed Cross Coupling of Halosugars: Stereoselective Anomeric Arylation of Glycosyl Radicals.","Journal of the American Chemical Society","2017","139","31","10693","10701","10.1021/jacs.7b03867","","","0.7107","MoKα","","0.0334","0.0327","","","0.0887","0.0896","","","","","","1.042","","","","has coordinates","241538","2020-10-21","18:00:00",""
"4131310","6.0647","0.0003","20.1459","0.0009","25.5946","0.0012","90","","90","","90","","3127.1","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Au N -","- C19 H14 Au N -","- C152 H112 Au8 N8 -","8","2","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Mechano-Responsive Luminescence via Crystal-to-Crystal Phase Transitions between Chiral and Non-Chiral Space Groups.","Journal of the American Chemical Society","2017","139","22","7452","7455","10.1021/jacs.7b04073","","","0.71075","MoKα","","0.0681","0.0506","","","0.1162","0.1264","","","","","","1.085","","","","has coordinates","241543","2020-10-21","18:00:00",""
"4131311","6.0437","0.0006","20.048","0.002","25.411","0.002","90","","90","","90","","3078.9","0.5","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Au N -","- C19 H14 Au N -","- C152 H112 Au8 N8 -","8","2","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Mechano-Responsive Luminescence via Crystal-to-Crystal Phase Transitions between Chiral and Non-Chiral Space Groups.","Journal of the American Chemical Society","2017","139","22","7452","7455","10.1021/jacs.7b04073","","","0.71075","MoKα","","0.2463","0.0859","","","0.1509","0.2139","","","","","","0.839","","","","has coordinates","241543","2020-10-21","18:00:00",""
"4131331","9.3686","0.0002","10.5348","0.0002","13.5886","0.0003","90","","90","","90","","1341.14","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Ohtawa, Masaki; Krambis, Michael J.; Cerne, Rok; Schkeryantz, Jeffrey M.; Witkin, Jeffrey M.; Shenvi, Ryan A.","Synthesis of (-)-11-O-Debenzoyltashironin: Neurotrophic Sesquiterpenes Cause Hyperexcitation.","Journal of the American Chemical Society","2017","139","28","9637","9644","10.1021/jacs.7b04206","","x-ray","1.54178","CuKα","","0.0296","0.0291","","","0.075","0.0754","","","","","","1.065","","","","has coordinates","241554","2020-10-21","18:00:00",""
"4131340","6.2276","0.0006","10.0974","0.0009","33.032","0.003","90","","90","","90","","2077.1","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","hxqG7","","","- C24 H23 Br N2 O -","- C24 H23 Br N2 O -","- C96 H92 Br4 N8 O4 -","4","1","","Huang, Xiaoqiang; Quinn, Taylor R.; Harms, Klaus; Webster, Richard D.; Zhang, Lilu; Wiest, Olaf; Meggers, Eric","Direct Visible-Light-Excited Asymmetric Lewis Acid Catalysis of Intermolecular [2+2] Photocycloadditions.","Journal of the American Chemical Society","2017","139","27","9120","9123","10.1021/jacs.7b04363","","","0.71073","MoKα","","0.0433","0.0397","","","0.096","0.0975","","","","","","1.048","","","","has coordinates,has disorder","241563","2020-10-21","18:00:00",""
"4131348","9.3812","0.0002","12.873","0.0002","29.8093","0.0007","90","","90","","90","","3599.9","0.13","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 I O4 Si -","- C36 H51 I O4 Si -","- C144 H204 I4 O16 Si4 -","4","1","","Hari, Durga Prasad; Waser, Jerome","Enantioselective Copper-Catalyzed Oxy-Alkynylation of Diazo Compounds.","Journal of the American Chemical Society","2017","139","25","8420","8423","10.1021/jacs.7b04756","","x-ray","1.54184","CuKα","","0.0494","0.0491","","","0.1364","0.1368","","","","","","1.073","","","","has coordinates,has disorder","241571","2020-10-21","18:00:00",""
"4131354","11.1208","0.0003","11.3351","0.0003","18.5681","0.0005","90","","90","","90","","2340.61","0.11","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H42 B Fe N3 P2 -","- C19 H42 B Fe N3 P2 -","- C76 H168 B4 Fe4 N12 P8 -","4","1","","Gorgas, Nikolaus; Alves, Luis G.; Stöger, Berthold; Martins, Ana M.; Veiros, Luis F.; Kirchner, Karl","Stable, Yet Highly Reactive Nonclassical Iron(II) Polyhydride Pincer Complexes: Z-Selective Dimerization and Hydroboration of Terminal Alkynes.","Journal of the American Chemical Society","2017","139","24","8130","8133","10.1021/jacs.7b05051","","x-ray","0.71073","MoKα","","0.0354","0.0258","","","0.0273","0.0284","","","","1.09","1.09","1.05","","","","has coordinates","241577","2020-10-21","18:00:00",""
"4131363","5.9623","0.0003","7.832","0.0003","41.1862","0.0018","90","","90","","90","","1923.26","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","71452-53","gene800","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C92 H88 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0427","0.0396","","","0.0881","0.0896","","","","","","1.116","","","","has coordinates,has disorder","241584","2020-10-21","18:00:00",""
"4131364","6.138","0.0003","8.0372","0.0004","40.2939","0.0018","90","","90","","90","","1987.79","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","71462-43","gene775","","- C23 H21 F O3 S -","- C23 H21 F O3 S -","- C92 H84 F4 O12 S4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0321","0.0314","","","0.0883","0.0889","","","","","","1.117","","","","has coordinates","241585","2020-10-21","18:00:00",""
"4131386","31.553","0.003","5.657","0.0004","9.6179","0.0007","90","","90","","90","","1716.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","71452-147","gene917","","- C23 H21 F -","- C23 H21 F -","- C92 H84 F4 -","4","1","","Li, Beryl X.; Le, Diane N.; Mack, Kyle A.; McClory, Andrew; Lim, Ngiap-Kie; Cravillion, Theresa; Savage, Scott; Han, Chong; Collum, David B.; Zhang, Haiming; Gosselin, Francis","Highly Stereoselective Synthesis of Tetrasubstituted Acyclic All-Carbon Olefins via Enol Tosylation and Suzuki-Miyaura Coupling.","Journal of the American Chemical Society","2017","139","31","10777","10783","10.1021/jacs.7b05071","","","0.71073","MoKα","","0.0584","0.0516","","","0.1012","0.1032","","","","","","1.116","","","","has coordinates","241607","2020-10-21","18:00:00",""
"4131440","15.4705","0.0005","18.2238","0.0005","46.4128","0.0014","90","","90","","90","","13085.2","0.7","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 Br N O12 -","- C136 H182 Br N O12 -","- C544 H728 Br4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54178","CuKα","","0.0533","0.0476","","","0.1218","0.126","","","","","","1.068","","","","has coordinates,has disorder","241638","2020-10-21","18:00:00",""
"4131441","15.4726","0.0002","18.2043","0.0003","46.434","0.0007","90","","90","","90","","13079","0.3","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 Cl N O12 -","- C136 H182 Cl N O12 -","- C544 H728 Cl4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54178","CuKα","","0.0624","0.0499","","","0.1201","0.1276","","","","","","1.029","","","","has coordinates,has disorder","241639","2020-10-21","18:00:00",""
"4131442","15.6487","0.0004","18.7136","0.0004","43.2272","0.001","90","","90","","90","","12658.8","0.5","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C130.37 H171.94 Br0.4 F0.4 O12 -","- C130.364 H171.94 Br0.394 F0.394 O12 -","- C521.456 H687.76 Br1.576 F1.576 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0846","0.0572","","","0.1366","0.1499","","","","","","1.027","","","","has coordinates,has disorder","241640","2020-10-21","18:00:00",""
"4131443","46.4365","0.0004","18.25356","0.00012","15.48278","0.0001","90","","90","","90","","13123.7","0.17","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Cl2 N O12 -","- C136 H181 Cl2 N O12 -","- C544 H724 Cl8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0788","0.0729","","","0.216","0.223","","","","","","1.031","","","","has coordinates,has disorder","241641","2020-10-21","18:00:00",""
"4131444","15.6223","0.0002","18.7222","0.0003","43.2981","0.0007","90","","90","","90","","12664","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C130.29 H171.82 Br0.38 F0.38 O12 -","- C130.292 H171.82 Br0.382 F0.382 O12 -","- C521.168 H687.28 Br1.528 F1.528 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.1199","0.0771","","","0.1918","0.2152","","","","","","1.013","","","","has coordinates,has disorder","241642","2020-10-21","18:00:00",""
"4131445","15.4705","0.0003","18.2782","0.0003","46.1154","0.001","90","","90","","90","","13040.2","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 F N O12 -","- C136 H182 F N O12 -","- C544 H728 F4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54178","CuKα","","0.0865","0.0692","","","0.1721","0.1812","","","","","","1.375","","","","has coordinates,has disorder","241643","2020-10-21","18:00:00",""
"4131446","15.4629","0.0001","18.2211","0.0001","46.7056","0.0003","90","","90","","90","","13159.3","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Br2 N O12 -","- C136 H181 Br2 N O12 -","- C544 H724 Br8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0568","0.0489","","","0.1294","0.1361","","","","","","1.042","","","","has coordinates,has disorder","241644","2020-10-21","18:00:00",""
"4131447","15.4654","0.0002","18.2121","0.0002","46.7197","0.0005","90","","90","","90","","13158.9","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Cl2 N O12 -","- C136 H181 Cl2 N O12 -","- C544 H724 Cl8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0787","0.0542","","","0.119","0.1587","","","","","","1.115","","","","has coordinates,has disorder","241645","2020-10-21","18:00:00",""
"4131448","15.4505","0.0001","18.1775","0.0002","46.8762","0.0004","90","","90","","90","","13165.2","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H181 Br2 N O12 -","- C136 H181 Br2 N O12 -","- C544 H724 Br8 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0405","0.0354","","","0.0863","0.0887","","","","","","1.023","","","","has coordinates,has disorder","241646","2020-10-21","18:00:00",""
"4131449","15.4375","0.0001","18.2003","0.0001","46.462","0.0003","90","","90","","90","","13054.3","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136 H182 I N O12 -","- C136 H182 I N O12 -","- C544 H728 I4 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0497","0.0446","","","0.1194","0.1233","","","","","","1.045","","","","has coordinates,has disorder","241647","2020-10-21","18:00:00",""
"4131450","15.4969","0.0001","18.2403","0.0001","46.6272","0.0003","90","","90","","90","","13180","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C138 H187 N O12 -","- C138 H187 N O12 -","- C552 H748 N4 O48 -","4","1","","Gropp, Cornelius; Husch, Tamara; Trapp, Nils; Reiher, Markus; Diederich, François","Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages.","Journal of the American Chemical Society","2017","139","35","12190","12200","10.1021/jacs.7b05461","","x-ray","1.54184","CuKα","","0.0807","0.057","","","0.1351","0.1826","","","","","","1.128","","","","has coordinates,has disorder","241648","2020-10-21","18:00:00",""
"4131489","13.9547","0.0003","16.1574","0.0003","22.4255","0.0016","90","","90","","90","","5056.3","0.4","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H85 N13 O9 -","- C42 H85 N13 O9 -","- C168 H340 N52 O36 -","4","1","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54187","CuKα","","0.0365","0.0343","","","0.0826","0.0844","","","","","","1.074","","","","has coordinates","241679","2020-10-21","18:00:00",""
"4131490","9.799","0.002","21.455","0.004","24.701","0.005","90","","90","","90","","5193.1","1.8","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H64 F6 N12 O8 -","- C37 H64 F6 N12 O8 -","- C148 H256 F24 N48 O32 -","4","1","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.54178","CuKα","","0.0626","0.0455","","","0.1132","0.119","","","","","","1.018","","","","has coordinates,has disorder","241680","2020-10-21","18:00:00",""
"4131491","15.2126","0.0008","15.6715","0.0005","23.6347","0.0008","90","","90","","90","","5634.6","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H78 F6 N14 O6 S -","- C46 H78 F6 N14 O6 S -","- C184 H312 F24 N56 O24 S4 -","4","1","","Bécart, Diane; Diemer, Vincent; Salaün, Arnaud; Oiarbide, Mikel; Nelli, Yella Reddy; Kauffmann, Brice; Fischer, Lucile; Palomo, Claudio; Guichard, Gilles","Helical Oligourea Foldamers as Powerful Hydrogen Bonding Catalysts for Enantioselective C-C Bond-Forming Reactions.","Journal of the American Chemical Society","2017","139","36","12524","12532","10.1021/jacs.7b05802","","","1.5418","CuKα","","0.1131","0.0986","","","0.2249","0.2685","","","","","","1.121","","","","has coordinates","241681","2020-10-21","18:00:00",""
"4131514","9.8811","0.001","14.3028","0.0015","15.0389","0.0016","90","","90","","90","","2125.4","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","H-D-Pro-Pip-Glu-NH2","","- C18 H27 F3 N4 O7 -","- C18 H27 F3 N4 O7 -","- C72 H108 F12 N16 O28 -","4","1","","Schnitzer, Tobias; Wennemers, Helma","Influence of the Trans/Cis Conformer Ratio on the Stereoselectivity of Peptidic Catalysts.","Journal of the American Chemical Society","2017","139","43","15356","15362","10.1021/jacs.7b06194","","x-ray","0.71073","MoKα","","0.0427","0.0339","","","0.0726","0.0783","","","","","","1.039","","","","has coordinates","241704","2020-10-21","18:00:00",""
"4131515","9.7372","0.0011","14.0027","0.0018","14.923","0.0018","90","","90","","90","","2034.7","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 F3 N4 O7 -","- C17 H25 F3 N4 O7 -","- C68 H100 F12 N16 O28 -","4","1","","Schnitzer, Tobias; Wennemers, Helma","Influence of the Trans/Cis Conformer Ratio on the Stereoselectivity of Peptidic Catalysts.","Journal of the American Chemical Society","2017","139","43","15356","15362","10.1021/jacs.7b06194","","x-ray","0.71073","MoKα","","0.0351","0.0293","","","0.0667","0.0704","","","","","","1.077","","","","has coordinates,has disorder","241705","2020-10-21","18:00:00",""
"4131526","6.9504","0.0001","16.7652","0.0003","43.917","0.003","90","","90","","90","","5117.4","0.4","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C200 H280 N8 O56 -","8","2","","Koch, Aaron A.; Hansen, Douglas A.; Shende, Vikram V.; Furan, Lawrence R.; Houk, K. N.; Jiménez-Osés, Gonzalo; Sherman, David H.","A Single Active Site Mutation in the Pikromycin Thioesterase Generates a More Effective Macrocyclization Catalyst.","Journal of the American Chemical Society","2017","139","38","13456","13465","10.1021/jacs.7b06436","","","1.54178","CuKα","","0.0591","0.0518","","","0.1275","0.1328","","","","","","1.092","","","","has coordinates","241716","2020-10-21","18:00:00",""
"4131537","10.439","0.002","16.789","0.004","19.1","0.005","90","","90","","90","","3347.5","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 B2 Br2 P2 Zn -","- C34 H36 B2 Br2 P2 Zn -","- C136 H144 B8 Br8 P8 Zn4 -","4","1","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0433","0.0317","","","0.0676","0.0717","","","","","","1.052","","","","has coordinates","241727","2020-10-21","18:00:00",""
"4131538","9.5859","0.0009","12.2845","0.001","24.092","0.003","90","","90","","90","","2837","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 B2 Cl4 N4 S2 Zn -","- C19 H24 B2 Cl4 N4 S2 Zn -","- C76 H96 B8 Cl16 N16 S8 Zn4 -","4","1","","Wang, Sunewang R.; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian D.; Dömling, Michael; Mattock, James D.; Pranckevicius, Conor; Vargas, Alfredo","Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II).","Journal of the American Chemical Society","2017","139","31","10661","10664","10.1021/jacs.7b06644","","","0.71073","MoKα","","0.0593","0.0447","","","0.1049","0.1112","","","","","","1.064","","","","has coordinates,has disorder","241728","2020-10-21","18:00:00",""
"4131551","12.2145","0.0007","19.8453","0.0011","23.3976","0.0013","90","","90","","90","","5671.6","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H80 B2 N4 -","- C66 H80 B2 N4 -","- C264 H320 B8 N16 -","4","1","","Taylor, Jordan W.; McSkimming, Alex; Guzman, Camilo F.; Harman, W. Hill","N-Heterocyclic Carbene-Stabilized Boranthrene as a Metal-Free Platform for the Activation of Small Molecules.","Journal of the American Chemical Society","2017","139","32","11032","11035","10.1021/jacs.7b06772","","","0.71073","MoKα","","0.0424","0.0369","","","0.0956","0.0999","","","","","","1.047","","","","has coordinates","241737","2020-10-21","18:00:00",""
"4131566","11.2752","0.0012","11.761","0.0012","12.3224","0.0013","90","","90","","90","","1634","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","pf262a","","","- C20 H26 O3 -","- C20 H26 O3 -","- C80 H104 O12 -","4","1","","Finkbeiner, Peter; Murai, Kenichi; Röpke, Michael; Sarpong, Richmond","Total Synthesis of Terpenoids Employing a ""Benzannulation of Carvone"" Strategy: Synthesis of (-)-Crotogoudin.","Journal of the American Chemical Society","2017","139","33","11349","11352","10.1021/jacs.7b06823","","","1.54178","CuKα","","0.0277","0.0277","","","0.0734","0.0735","","","","","","1.063","","","","has coordinates","241745","2020-10-21","18:00:00",""
"4131575","8.071","0.002","10.749","0.003","19.914","0.005","90","","90","","90","","1727.6","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 Br Cl2 N2 O -","- C15 H19 Br Cl2 N2 O -","- C60 H76 Br4 Cl8 N8 O4 -","4","1","","Maetani, Micah; Zoller, Jochen; Melillo, Bruno; Verho, Oscar; Kato, Nobutaka; Pu, Jun; Comer, Eamon; Schreiber, Stuart L.","Synthesis of a Bicyclic Azetidine with In Vivo Antimalarial Activity Enabled by Stereospecific, Directed C(sp<sup>3</sup>)-H Arylation.","Journal of the American Chemical Society","2017","139","32","11300","11306","10.1021/jacs.7b06994","","","0.71073","MoKα","","0.0447","0.0321","","","0.0748","0.0808","","","","","","1.025","","","","has coordinates,has disorder","241753","2020-10-21","18:00:00",""
"4131579","7.967","0.001","8.4581","0.0011","30.254","0.004","90","","90","","90","","2038.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 I O8 -","- C18 H21 I O8 -","- C72 H84 I4 O32 -","4","1","","Hu, Yang; Yu, Ke; Shi, Li-Li; Liu, Lei; Sui, Jing-Jing; Liu, De-Yong; Xiong, Bin; Sun, Jian-Song","o-(p-Methoxyphenylethynyl)phenyl Glycosides: Versatile New Glycosylation Donors for the Highly Efficient Construction of Glycosidic Linkages.","Journal of the American Chemical Society","2017","139","36","12736","12744","10.1021/jacs.7b07020","","","0.71073","MoKα","","0.0369","0.0345","","","0.0774","0.0787","","","","","","1.088","","","","has coordinates","241756","2020-10-21","18:00:00",""
"4131585","19.7038","0.0015","26.008","0.002","35.273","0.003","90","","90","","90","","18076","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","7","","","- C81 H121 Cu O9 P2 Si2 -","- C81 H121 Cu O9 P2 Si2 -","- C648 H968 Cu8 O72 P16 Si16 -","8","2","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","0.71073","MoKα","","0.0969","0.0678","","","0.1711","0.1908","","","","","","1.023","","","","has coordinates,has disorder","241762","2020-10-21","18:00:00",""
"4131586","13.8472","0.0011","23.0453","0.0015","29.284","0.002","90","","90","","90","","9344.9","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","YX3-287","6","","- C74 H100 Cl Cu O8 P2 -","- C74 H100 Cl Cu O8 P2 -","- C296 H400 Cl4 Cu4 O32 P8 -","4","1","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","0.71073","MoKα","","0.0971","0.0718","","","0.1748","0.185","","","","","","1.061","","","","has coordinates","241763","2020-10-21","18:00:00",""
"4131587","19.5026","0.0011","26.0918","0.0016","35.42","0.002","90","","90","","90","","18023.7","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","16","","- C74 H104 B Cu O8 P2 -","- C74 H104 B Cu O8 P2 -","- C592 H832 B8 Cu8 O64 P16 -","8","2","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","1.54178","CuKα","","0.0547","0.0458","","","0.1175","0.1229","","","","","","1.065","","","","has coordinates","241764","2020-10-21","18:00:00",""
"4131589","14.0112","0.0009","23.8266","0.0017","28.7899","0.0019","90","","90","","90","","9611.2","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","12","","- C102 H142 Cu F O9 P2 Si2 -","- C102 H142 Cu F O9 P2 Si2 -","- C408 H568 Cu4 F4 O36 P8 Si8 -","4","1","","Xi, Yumeng; Hartwig, John F.","Mechanistic Studies of Copper-Catalyzed Asymmetric Hydroboration of Alkenes.","Journal of the American Chemical Society","2017","139","36","12758","12772","10.1021/jacs.7b07124","","","1.54178","CuKα","","0.1089","0.1031","","","0.2649","0.2704","","","","","","1.09","","","","has coordinates","241766","2020-10-21","18:00:00",""
"4131596","5.7214","0.0003","9.7243","0.0006","31.378","0.002","90","","90","","90","","1745.77","0.18","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Br N O S -","- C17 H24 Br N O S -","- C68 H96 Br4 N4 O4 S4 -","4","1","","Chogii, Isaac; Das, Pradipta; Fell, Jason S.; Scott, Kevin A.; Crawford, Mark N.; Houk, K. N.; Njardarson, Jon T.","New Class of Anion-Accelerated Amino-Cope Rearrangements as Gateway to Diverse Chiral Structures.","Journal of the American Chemical Society","2017","139","37","13141","13146","10.1021/jacs.7b07319","","","0.71073","MoKα","","0.0557","0.05","","","0.1117","0.1137","","","","","","1.147","","","","has coordinates","241773","2020-10-21","18:00:00",""
"4131597","5.6544","0.0002","10.156","0.0005","34.5988","0.0015","90","","90","","90","","1986.87","0.15","100","2","100.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Chogii, Isaac; Das, Pradipta; Fell, Jason S.; Scott, Kevin A.; Crawford, Mark N.; Houk, K. N.; Njardarson, Jon T.","New Class of Anion-Accelerated Amino-Cope Rearrangements as Gateway to Diverse Chiral Structures.","Journal of the American Chemical Society","2017","139","37","13141","13146","10.1021/jacs.7b07319","","","0.71073","MoKα","","0.0375","0.0324","","","0.0927","0.0986","","","","","","0.772","","","","has coordinates","241774","2020-10-21","18:00:00",""
"4131605","12.501","0.0012","17.5618","0.0016","24.024","0.002","90","","90","","90","","5274.2","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H87 N5 O7 -","- C46 H87 N5 O7 -","- C184 H348 N20 O28 -","4","1","","Roy, Olivier; Dumonteil, Geoffrey; Faure, Sophie; Jouffret, Laurent; Kriznik, Alexandre; Taillefumier, Claude","Homogeneous and Robust Polyproline Type I Helices from Peptoids with Nonaromatic α-Chiral Side Chains.","Journal of the American Chemical Society","2017","139","38","13533","13540","10.1021/jacs.7b07475","","","0.71073","MoKα","","0.0619","0.0401","","","0.0909","0.1005","","","","","","1.031","","","","has coordinates","241783","2020-10-21","18:00:00",""
"4131606","17.686","0.004","19.331","0.004","23.621","0.005","90","0.03","90","0.03","90","0.03","8076","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C269.5 H521.4 N32 O47.17 -","- C269.516 H521.376 N32 O47.172 -","- C269.516 H521.376 N32 O47.172 -","1","0.25","","Roy, Olivier; Dumonteil, Geoffrey; Faure, Sophie; Jouffret, Laurent; Kriznik, Alexandre; Taillefumier, Claude","Homogeneous and Robust Polyproline Type I Helices from Peptoids with Nonaromatic α-Chiral Side Chains.","Journal of the American Chemical Society","2017","139","38","13533","13540","10.1021/jacs.7b07475","","","0.71073","MoKα","","0.1004","0.0787","","","0.2156","0.2352","","","","","","1.05","","","","has coordinates,has disorder","241784","2020-10-21","18:00:00",""
"4131616","7.8713","0.0001","12.6867","0.0002","21.0416","0.0004","90","","90","","90","","2101.23","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O6 -","- C25 H22 N2 O6 -","- C100 H88 N8 O24 -","4","1","","Kuznetsov, Dmitry M.; Kutateladze, Andrei G.","Step-Economical Photoassisted Diversity-Oriented Synthesis: Sustaining Cascade Photoreactions in Oxalyl Anilides to Access Complex Polyheterocyclic Molecular Architectures.","Journal of the American Chemical Society","2017","139","46","16584","16590","10.1021/jacs.7b07598","","","0.71073","MoKα","","0.0658","0.0476","","","0.088","0.0961","","","","","","0.98","","","","has coordinates","241792","2020-10-21","18:00:00",""
"4131658","6.2723","0.0001","16.0553","0.0003","16.2734","0.0003","90","","90","","90","","1638.79","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 O2 -","- C19 H21 O2 -","- C76 H84 O8 -","4","1","","Zhang, Kai; Lu, Liang-Qiu; Yao, Sheng; Chen, Jia-Rong; Shi, De-Qing; Xiao, Wen-Jing","Enantioconvergent Copper Catalysis: In Situ Generation of the Chiral Phosphorus Ylide and Its Wittig Reactions.","Journal of the American Chemical Society","2017","139","36","12847","12854","10.1021/jacs.7b08207","","","1.54178","CuKα","","0.0371","0.036","","","0.1038","0.105","","","","","","1.054","","","","has coordinates","241832","2020-10-21","18:00:00",""
"4131674","6.7578","0.0015","7.6767","0.0018","26.524","0.006","90","","90","","90","","1376","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Zheng, Kuan; Shen, Defeng; Hong, Ran","Biomimetic Synthesis of Lankacidin Antibiotics.","Journal of the American Chemical Society","2017","139","37","12939","12942","10.1021/jacs.7b08500","","","0.71073","MoKα","","0.1244","0.0742","","","0.1521","0.1764","","","","","","1.03","","","","has coordinates","241847","2020-10-21","18:00:00",""
"4131704","14.9225","0.0011","22.1262","0.0018","34.994","0.003","90","","90","","90","","11554.3","1.6","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C112 H152 Au8 N8 O Te4 -","- C112 H152 Au8 N8 O Te4 -","- C448 H608 Au32 N32 O4 Te16 -","4","1","","Polgar, Alexander M.; Weigend, Florian; Zhang, Angel; Stillman, Martin J.; Corrigan, John F.","A N-Heterocyclic Carbene-Stabilized Coinage Metal-Chalcogenide Framework with Tunable Optical Properties.","Journal of the American Chemical Society","2017","139","40","14045","14048","10.1021/jacs.7b09025","","","0.71073","MoKα","","0.0635","0.0379","","","0.0693","0.0784","","","","","","1.049","","","","has coordinates","241873","2020-10-21","18:00:00",""
"4131708","12.8614","0.0001","17.9146","0.0002","18.8871","0.0002","90","","90","","90","","4351.72","0.08","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C49 H41 Br2 F N3 O2 Rh S2 -","- C49 H41 Br2 F N3 O2 Rh S2 -","- C196 H164 Br8 F4 N12 O8 Rh4 S8 -","4","1","","Ma, Jiajia; Rosales, Anthony R.; Huang, Xiaoqiang; Harms, Klaus; Riedel, Radostan; Wiest, Olaf; Meggers, Eric","Visible-Light-Activated Asymmetric β-C-H Functionalization of Acceptor-Substituted Ketones with 1,2-Dicarbonyl Compounds.","Journal of the American Chemical Society","2017","139","48","17245","17248","10.1021/jacs.7b09152","","","1.54178","CuKα","","0.0279","0.0265","","","0.0678","0.0687","","","","","","1.063","","","","has coordinates,has disorder","241877","2020-10-21","18:00:00",""
"4131714","7.1734","0.0004","14.6205","0.0009","15.2005","0.0009","90","","90","","90","","1594.21","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Li, Jian; Zhang, Wenhao; Zhang, Fei; Chen, Yu; Li, Ang","Total Synthesis of Longeracinphyllin A.","Journal of the American Chemical Society","2017","139","42","14893","14896","10.1021/jacs.7b09186","","","1.54178","CuKα","","0.0307","0.0305","","","0.0781","0.0782","","","","","","1.061","","","","has coordinates","241883","2020-10-21","18:00:00",""
"4131724","11.263","0.0006","11.6823","0.0004","20.3071","0.0007","90","","90","","90","","2671.96","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C96 H116 N4 O24 -","4","1","","Dhanjee, Heemal H.; Kobayashi, Yutaka; Buergler, Jonas F.; McMahon, Travis C.; Haley, Matthew W.; Howell, Jennifer M.; Fujiwara, Koichi; Wood, John L.","Total Syntheses of (+)- and (-)-Tetrapetalones A and C.","Journal of the American Chemical Society","2017","139","42","14901","14904","10.1021/jacs.7b09358","","","0.71073","MoKα","","0.0534","0.044","","","0.119","0.1234","","","","","","1.066","","","","has coordinates","241893","2020-10-21","18:00:00",""
"4131743","7.557","0.0005","11.6693","0.0008","21.4501","0.0015","90","","90","","90","","1891.6","0.2","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54178","CuKα","","0.0245","0.024","","","0.0606","0.0609","","","","","","1.053","","","","has coordinates","241912","2020-10-21","18:00:00",""
"4131744","17.4551","0.0002","25.0058","0.0003","33.3734","0.0003","90","","90","","90","","14566.8","0.3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O3 Si -","- C26 H42 O3 Si -","- C624 H1008 O72 Si24 -","24","6","","Zeng, Mingshuo; Murphy, Stephen K.; Herzon, Seth B.","Development of a Modular Synthetic Route to (+)-Pleuromutilin, (+)-12-epi-Mutilins, and Related Structures.","Journal of the American Chemical Society","2017","139","45","16377","16388","10.1021/jacs.7b09869","","","1.54184","CuKα","","0.0389","0.0364","","","0.0894","0.0912","","","","","","1.016","","","","has coordinates,has disorder","241913","2020-10-21","18:00:00",""
"4131751","4.3181","0.001","22.051","0.006","25.387","0.006","90","","90","","90","","2417.3","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl6 N2 O5 Pb3 -","- C16 H18 Cl6 N2 O5 Pb3 -","- C64 H72 Cl24 N8 O20 Pb12 -","4","1","","Sun, Cai; Xu, Gang; Jiang, Xiao-Ming; Wang, Guan-E; Guo, Pei-Yu; Wang, Ming-Sheng; Guo, Guo-Cong","Design Strategy for Improving Optical and Electrical Properties and Stability of Lead-Halide Semiconductors.","Journal of the American Chemical Society","2018","140","8","2805","2811","10.1021/jacs.7b10101","","","0.71073","MoKα","","0.0451","0.0374","","","0.0962","0.1004","","","","","","0.925","","","","has coordinates","241919","2020-10-21","18:00:00",""
"4131752","9.9474","0.0002","10.9082","0.0002","15.4415","0.0003","90","","90","","90","","1675.53","0.06","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C64 H88 O36 -","4","1","","Zhao, Jin-Xin; Yu, Yan-Yan; Wang, Sha-Sha; Huang, Su-Ling; Shen, Yu; Gao, Xin-Hua; Sheng, Li; Li, Jing-Ya; Leng, Ying; Li, Jia; Yue, Jian-Min","Structural Elucidation and Bioinspired Total Syntheses of Ascorbylated Diterpenoid Hongkonoids A-D.","Journal of the American Chemical Society","2018","140","7","2485","2492","10.1021/jacs.7b10135","","","1.54178","CuKα","","0.0332","0.0328","","","0.1011","0.102","","","","","","0.987","","","","has coordinates","241920","2020-10-21","18:00:00",""
"4131757","22.2348","0.0015","12.2611","0.0007","15.1377","0.0009","90","","90","","90","","4126.9","0.4","100","2","99.98","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 F3 N2 O3 Os P3 S Si -","- C37 H56 F3 N2 O3 Os P3 S Si -","- C148 H224 F12 N8 O12 Os4 P12 S4 Si4 -","4","1","","Fajardo, Jr, Javier; Peters, Jonas C.","Catalytic Nitrogen-to-Ammonia Conversion by Osmium and Ruthenium Complexes.","Journal of the American Chemical Society","2017","139","45","16105","16108","10.1021/jacs.7b10204","","","0.71073","MoKα","","0.0367","0.0291","","","0.0479","0.0497","","","","","","0.998","","","","has coordinates","241925","2020-10-21","18:00:00",""
"4131771","18.0673","0.0003","19.7078","0.0003","24.446","0.0004","90","","90","","90","","8704.4","0.2","120","0.1","120","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C104 H110 Bi Cl N2 O Si2 -","- C104 H110 Bi Cl N2 O Si2 -","- C416 H440 Bi4 Cl4 N8 O4 Si8 -","4","1","","Schwamm, Ryan J.; Lein, Matthias; Coles, Martyn P.; Fitchett, Christopher M.","Bismuth(III) Complex of the [S<sub>4</sub>]<sup>•-</sup> Radical Anion: Dimer Formation via Pancake Bonds.","Journal of the American Chemical Society","2017","139","46","16490","16493","10.1021/jacs.7b10454","","x-ray","0.71073","MoKα","","0.0307","0.026","","","0.0527","0.0547","","","","","","1.036","","","","has coordinates","241933","2020-10-21","18:00:00",""
"4131825","7.0224","0.0002","11.4699","0.0004","24.6868","0.0008","90","","90","","90","","1988.43","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N O4 -","- C23 H22 F N O4 -","- C92 H88 F4 N4 O16 -","4","1","","Trost, Barry M.; Gnanamani, Elumalai; Tracy, Jacob S.; Kalnmals, Christopher A.","Zn-ProPhenol Catalyzed Enantio- and Diastereoselective Direct Vinylogous Mannich Reactions between α,β- and β,γ-Butenolides and Aldimines.","Journal of the American Chemical Society","2017","139","50","18198","18201","10.1021/jacs.7b11361","","","1.54184","CuKα","","0.0258","0.0254","","","0.0679","0.0681","","","","","","1.039","","","","has coordinates","241960","2020-10-21","18:00:00",""
"4131942","8.998","0.0002","11.5663","0.0002","17.6674","0.0005","90","","90","","90","","1838.71","0.07","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl F3 N2 O -","- C20 H22 Cl F3 N2 O -","- C80 H88 Cl4 F12 N8 O4 -","4","1","","Ye, Ke-Yin; Pombar, Gisselle; Fu, Niankai; Sauer, Gregory S.; Keresztes, Ivan; Lin, Song","Anodically Coupled Electrolysis for the Heterodifunctionalization of Alkenes.","Journal of the American Chemical Society","2018","140","7","2438","2441","10.1021/jacs.7b13387","","x-ray","1.54184","CuKα","","0.0482","0.0446","","","0.1151","0.1209","","","","","","1.035","","","","has coordinates","242012","2020-10-21","18:00:00",""
"4131943","9.64769","0.00005","11.43518","0.00007","15.03401","0.00009","90","","90","","90","","1658.6","0.017","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.0294","0.0258","","","0.0691","0.0705","","","","","","1.044","","","","has coordinates","242013","2020-10-21","18:00:00",""
"4131954","7.84898","0.00008","14.47011","0.00018","15.52093","0.00016","90","","90","","90","","1762.8","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20.18 N2 O5.09 -","- C21 H20.182 N2 O5.091 -","- C84 H80.728 N8 O20.364 -","4","1","","Miloserdov, Fedor M.; Kirillova, Mariia S.; Muratore, Michael E.; Echavarren, Antonio M.","Unified Total Synthesis of Pyrroloazocine Indole Alkaloids Sheds Light on Their Biosynthetic Relationship.","Journal of the American Chemical Society","2018","140","16","5393","5400","10.1021/jacs.7b13484","","","0.7107","MoKα","","0.033","0.0296","","","0.0798","0.0815","","","","","","1.071","","","","has coordinates,has disorder","242024","2020-10-21","18:00:00",""
"4131958","6.5343","0.0003","17.9861","0.0007","32.523","0.0014","90","","90","","90","","3822.3","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H40 O4 -","- C52 H40 O4 -","- C208 H160 O16 -","4","1","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.0396","0.0351","","","0.0967","0.1031","","","","","","1.059","","","","has coordinates","242028","2020-10-21","18:00:00",""
"4131959","5.146","","18.162","","20.254","","90","","90","","90","","1892.97","","173","2","173","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C30 H16 -","- C30 H16 -","- C120 H64 -","4","1","","Malik, Abaid Ullah; Gan, Fuwei; Shen, Chengshuo; Yu, Na; Wang, Ruibin; Crassous, Jeanne; Shu, Mouhai; Qiu, Huibin","Chiral Organic Cages with a Triple-Stranded Helical Structure Derived from Helicene.","Journal of the American Chemical Society","2018","140","8","2769","2772","10.1021/jacs.7b13512","","","1.54178","CuKα","","0.0314","0.0282","","","0.065","0.0668","","","","","","1.072","","","","has coordinates","242029","2020-10-21","18:00:00",""
"4132060","11.672","0.0004","18.1421","0.0005","18.3663","0.0005","90","","90","","90","","3889.1","0.2","140.01","0.1","140.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 N2 -","- C49 H48 N2 -","- C196 H192 N8 -","4","1","","Diesel, Johannes; Finogenova, Anastasiia M.; Cramer, Nicolai","Nickel-Catalyzed Enantioselective Pyridone C-H Functionalizations Enabled by a Bulky N-Heterocyclic Carbene Ligand.","Journal of the American Chemical Society","2018","140","13","4489","4493","10.1021/jacs.8b01181","","x-ray","1.54184","CuKα","","0.0846","0.0515","","","0.1073","0.1166","","","","","","0.896","","","","has coordinates","242102","2020-10-21","18:00:00",""
"4132079","5.1673","0.0001","8.8734","0.0001","46.1987","0.0004","90","","90","","90","","2118.28","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br N O2 -","- C25 H24 Br N O2 -","- C100 H96 Br4 N4 O8 -","4","1","","Petrone, David A.; Isomura, Mayuko; Franzoni, Ivan; Rössler, Simon L; Carreira, Erick M.","Allenylic Carbonates in Enantioselective Iridium-Catalyzed Alkylations.","Journal of the American Chemical Society","2018","140","13","4697","4704","10.1021/jacs.8b01416","","x-ray","1.54184","CuKα","","0.0519","0.0514","","","0.129","0.1293","","","","","","1.221","","","","has coordinates,has disorder","242121","2020-10-21","18:00:00",""
"4132093","5.6971","0.0002","7.5256","0.0002","37.5923","0.0009","90","","90","","90","","1611.74","0.08","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F4 S -","- C18 H18 F4 S -","- C72 H72 F16 S4 -","4","1","","Liu, Xiang; Liang, Yaoyu; Ji, Jieying; Luo, Jie; Zhao, Xiaodan","Chiral Selenide-Catalyzed Enantioselective Allylic Reaction and Intermolecular Difunctionalization of Alkenes: Efficient Construction of C-SCF<sub>3</sub> Stereogenic Molecules.","Journal of the American Chemical Society","2018","140","14","4782","4786","10.1021/jacs.8b01513","","","1.54178","CuKα","","0.0415","0.0407","","","0.1094","0.11","","","","","","1.093","","","","has coordinates","242130","2020-10-21","18:00:00",""
"4132109","10.363","0.0004","19.5669","0.0007","20.1438","0.0007","90","","90","","90","","4084.6","0.3","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H43 Cl2 Fe N3 O2 -","- C46 H43 Cl2 Fe N3 O2 -","- C184 H172 Cl8 Fe4 N12 O8 -","4","1","","Cheng, Biao; Liu, Wenbo; Lu, Zhan","Iron-Catalyzed Highly Enantioselective Hydrosilylation of Unactivated Terminal Alkenes.","Journal of the American Chemical Society","2018","140","15","5014","5017","10.1021/jacs.8b01638","","","0.71073","MoKα","","0.0486","0.0377","","","0.086","0.0943","","","","","","1.029","","","","has coordinates","242152","2020-10-21","18:00:00",""
"4132116","6.4315","0.0002","10.2343","0.0003","22.1045","0.0006","90","","90","","90","","1454.96","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Wang, Yong; Wen, Xin; Cui, Xin; Zhang, X. Peter","Enantioselective Radical Cyclization for Construction of 5-Membered Ring Structures by Metalloradical C-H Alkylation.","Journal of the American Chemical Society","2018","140","14","4792","4796","10.1021/jacs.8b01662","","","1.54178","CuKα","","0.0268","0.0258","","","0.0648","0.0655","","","","","","1.049","","","","has coordinates","242159","2020-10-21","18:00:00",""
"4132124","5.9911","0.0004","14.3103","0.0011","18.8938","0.0013","90","","90","","90","","1619.8","0.2","100","","99.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","lwh-4-1178","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","","Hernandez, Lucas W.; Klöckner, Ulrich; Pospech, Jola; Hauss, Lilian; Sarlah, David","Nickel-Catalyzed Dearomative trans-1,2-Carboamination.","Journal of the American Chemical Society","2018","140","13","4503","4507","10.1021/jacs.8b01726","","x-ray","1.54178","CuKα","","0.0631","0.0618","","","0.1469","0.1478","","","","","","1.052","","","","has coordinates","242170","2020-10-21","18:00:00",""
"4132145","7.5143","0.0003","12.9125","0.0004","13.961","0.0005","90","","90","","90","","1354.61","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N4 O7 -","- C13 H10 N4 O7 -","- C52 H40 N16 O28 -","4","1","","Gu, Ruirui; Flidrova, Karolina; Lehn, Jean-Marie","Dynamic Covalent Metathesis in the C═C/C═N Exchange between Knoevenagel Compounds and Imines.","Journal of the American Chemical Society","2018","140","16","5560","5568","10.1021/jacs.8b01849","","","0.71073","MoKα","","0.0362","0.0336","","","0.0926","0.0961","","","","","","1.059","","","","has coordinates","242185","2020-10-21","18:00:00",""
"4132147","7.241","0.004","16.788","0.009","30.202","0.015","90","","90","","90","","3671","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H12 Cl4 Cu F15 N4 -","- C39 H12 Cl4 Cu F15 N4 -","- C156 H48 Cl16 Cu4 F60 N16 -","4","1","","Maurya, Yogesh Kumar; Noda, Katsuya; Yamasumi, Kazuhisa; Mori, Shigeki; Uchiyama, Tomoki; Kamitani, Kazutaka; Hirai, Tomoyasu; Ninomiya, Kakeru; Nishibori, Maiko; Hori, Yuta; Shiota, Yoshihito; Yoshizawa, Kazunari; Ishida, Masatoshi; Furuta, Hiroyuki","Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity.","Journal of the American Chemical Society","2018","140","22","6883","6892","10.1021/jacs.8b01876","","","0.71075","MoKα","","0.0998","0.0828","","","0.2006","0.2174","","","","","","1.077","","","","has coordinates,has disorder","242189","2020-10-21","18:00:00",""
"4132155","7.6671","0.0006","8.3382","0.0006","23.4368","0.0018","90","","90","","90","","1498.3","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0383","0.0326","","","0.0789","0.0825","","","","","","1.05","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132162","7.6599","0.0002","8.342","0.0002","23.4353","0.0007","90","","90","","90","","1497.49","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nv236-E1","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0459","0.0425","","","0.1106","0.1126","","","","","","1.131","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132163","7.661","0.0002","8.3423","0.0002","23.444","0.0005","90","","90","","90","","1498.31","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nv237-e2","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Hartrampf, Nina; Winter, Nils; Pupo, Gabriele; Stoltz, Brian M.; Trauner, Dirk","Total Synthesis of the Norhasubanan Alkaloid Stephadiamine.","Journal of the American Chemical Society","2018","140","28","8675","8680","10.1021/jacs.8b01918","","","0.71073","MoKα","","0.0415","0.0388","","","0.1058","0.1071","","","","","","1.095","","","","has coordinates","242196","2020-10-21","18:00:00",""
"4132176","7.4092","0.0007","10.2119","0.0009","22.525","0.002","90","","90","","90","","1704.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F N2 O4 S -","- C18 H19 F N2 O4 S -","- C72 H76 F4 N8 O16 S4 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0323","0.0309","","","0.0759","0.0767","","","","","","1.099","","","","has coordinates","242204","2020-10-21","18:00:00",""
"4132177","5.2733","0.0003","10.7709","0.0006","37.817","0.002","90","","90","","90","","2147.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 F O6 S -","- C24 H21 F O6 S -","- C96 H84 F4 O24 S4 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0749","0.0516","","","0.0858","0.0931","","","","","","1.082","","","","has coordinates,has disorder","242205","2020-10-21","18:00:00",""
"4132179","5.527","0.0004","8.6617","0.0006","36.032","0.003","90","","90","","90","","1725","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F N O4 S2 -","- C17 H18 F N O4 S2 -","- C68 H72 F4 N4 O16 S8 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0903","0.0682","","","0.1219","0.1288","","","","","","1.171","","","","has coordinates","242207","2020-10-21","18:00:00",""
"4132180","7.5617","0.0003","9.7752","0.0005","23.9131","0.001","90","","90","","90","","1767.59","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 F2 N2 O4 S -","- C17 H18 F2 N2 O4 S -","- C68 H72 F8 N8 O16 S4 -","4","1","","Mennie, Katrina M.; Banik, Steven M.; Reichert, Elaine C.; Jacobsen, Eric N.","Catalytic Diastereo- and Enantioselective Fluoroamination of Alkenes.","Journal of the American Chemical Society","2018","140","14","4797","4802","10.1021/jacs.8b02143","","","0.71073","MoKα","","0.0369","0.0316","","","0.0731","0.0754","","","","","","1.057","","","","has coordinates","242208","2020-10-21","18:00:00",""
"4132189","7.1329","0.0002","17.6817","0.0004","35.8965","0.0008","90","","90","","90","","4527.33","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 N2 O11 -","- C36 H40 N2 O11 -","- C144 H160 N8 O44 -","4","1","","Mandler, Michael D.; Baidin, Vadim; Lee, James; Pahil, Karanbir S.; Owens, Tristan W.; Kahne, Daniel","Novobiocin Enhances Polymyxin Activity by Stimulating Lipopolysaccharide Transport.","Journal of the American Chemical Society","2018","140","22","6749","6753","10.1021/jacs.8b02283","","","1.54178","CuKα","","0.0801","0.0757","","","0.2141","0.219","","","","","","1.084","","","","has coordinates","242215","2020-10-21","18:00:00",""
"4132196","9.62577","0.00003","14.4848","0.00007","18.2568","0.00007","90","","90","","90","","2545.5","0.018","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O3 S -","- C31 H25 N O3 S -","- C124 H100 N4 O12 S4 -","4","1","","Jin, Jianwen; Zhao, Yichao; Gouranourimi, Ali; Ariafard, Alireza; Hong Chan, Philip Wai","Chiral Brønsted Acid Catalyzed Enantioselective Dehydrative Nazarov-Type Electrocyclization of Aryl and 2-Thienyl Vinyl Alcohols.","Journal of the American Chemical Society","2018","140","17","5834","5841","10.1021/jacs.8b02339","","x-ray","1.54184","CuKα","","0.0251","0.025","","","0.0698","0.0699","","","","","","1.066","","","","has coordinates","242222","2020-10-21","18:00:00",""
"4132237","5.6776","0.0002","14.2324","0.0005","19.406","0.0007","90","","90","","90","","1568.12","0.1","100","2","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O7 -","- C16 H15 Br O7 -","- C64 H60 Br4 O28 -","4","1","","Wu, Xiaowei; Iwata, Takayuki; Scharf, Adam; Qin, Tian; Reichl, Kyle D.; Porco, Jr, John A","Asymmetric Synthesis of Gonytolide A: Strategic Use of an Aryl Halide Blocking Group for Oxidative Coupling.","Journal of the American Chemical Society","2018","140","18","5969","5975","10.1021/jacs.8b02535","","","1.54178","CuKα","","0.0253","0.0236","","","0.0547","0.0553","","","","","","1.061","","","","has coordinates","242238","2020-10-21","18:00:00",""
"4132240","7.7684","0.0002","10.9017","0.0003","21.8627","0.0006","90","","90","","90","","1851.53","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","","Zhang, Xingjie; Xie, Xin; Liu, Yuanhong","Nickel-Catalyzed Highly Regioselective Hydrocyanation of Terminal Alkynes with Zn(CN)<sub>2</sub> Using Water as the Hydrogen Source.","Journal of the American Chemical Society","2018","140","24","7385","7389","10.1021/jacs.8b02542","","","1.54178","CuKα","","0.0376","0.0368","","","0.0951","0.0959","","","","","","1.072","","","","has coordinates","242241","2020-10-21","18:00:00",""
"4132249","6.1297","0.0018","12.781","0.004","14.79","0.005","90","","90","","90","","1158.7","0.6","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl I O -","- C11 H12 Cl I O -","- C44 H48 Cl4 I4 O4 -","4","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0155","0.0145","","","0.0343","0.0345","","","","","","1.011","","","","has coordinates","242245","2020-10-21","18:00:00",""
"4132250","11.5142","0.0017","13.629","0.002","33.558","0.005","90","","90","","90","","5266.2","1.3","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H50 I2 N O3 P Si2 -","- C64 H50 I2 N O3 P Si2 -","- C256 H200 I8 N4 O12 P4 Si8 -","4","1","","Lu, Yanhui; Nakatsuji, Hidefumi; Okumura, Yukimasa; Yao, Lu; Ishihara, Kazuaki","Enantioselective Halo-oxy- and Halo-azacyclizations Induced by Chiral Amidophosphate Catalysts and Halo-Lewis Acids.","Journal of the American Chemical Society","2018","140","19","6039","6043","10.1021/jacs.8b02607","","","0.71075","MoKα","","0.0938","0.0672","","","0.162","0.1899","","","","","","1.069","","","","has coordinates","242246","2020-10-21","18:00:00",""
"4132291","11.557","0.004","12.498","0.004","14.777","0.004","90","","90","","90","","2134.4","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C96 H96 N8 O8 S4 -","4","1","","Kou, Xuezhen; Shao, Qihang; Ye, Chenghao; Yang, Guoqiang; Zhang, Wanbin","Asymmetric Aza-Wacker-Type Cyclization of N-Ts Hydrazine-Tethered Tetrasubstituted Olefins: Synthesis of Pyrazolines Bearing One Quaternary or Two Vicinal Stereocenters.","Journal of the American Chemical Society","2018","140","24","7587","7597","10.1021/jacs.8b02865","","","1.54178","CuKα","","0.0344","0.0321","","","0.0897","0.0914","","","","","","1.012","","","","has coordinates","242288","2020-10-21","18:00:00",""
"4132305","9.1114","0.0002","9.3977","0.0002","21.5596","0.0005","90","","90","","90","","1846.07","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O S -","- C21 H25 N O S -","- C84 H100 N4 O4 S4 -","4","1","","Picazo, Elias; Anthony, Sarah M.; Giroud, Maude; Simon, Adam; Miller, Margeaux A.; Houk, K. N.; Garg, Neil K.","Arynes and Cyclic Alkynes as Synthetic Building Blocks for Stereodefined Quaternary Centers.","Journal of the American Chemical Society","2018","140","24","7605","7610","10.1021/jacs.8b02875","","","1.54178","CuKα","","0.0228","0.0219","","","0.058","0.0582","","","","","","1.085","","","","has coordinates","242303","2020-10-21","18:00:00",""
"4132324","9.1557","0.0014","11.8598","0.0019","21.294","0.003","90","","90","","90","","2312.2","0.6","123","","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 O3 Si -","- C23 H40 O3 Si -","- C92 H160 O12 Si4 -","4","1","","Iwasawa, Nobuharu; Watanabe, Shoya; Ario, Akane; Sogo, Hideyuki","Re(I)-Catalyzed Hydropropargylation of Silyl Enol Ethers Utilizing Dynamic Interconversion of Vinylidene-Alkenylmetal Intermediates via 1,5-Hydride Transfer.","Journal of the American Chemical Society","2018","140","25","7769","7772","10.1021/jacs.8b02903","","","0.71075","MoKα","","0.0612","0.0526","","","0.1453","0.1591","","","","","","1.077","","","","has coordinates","242310","2020-10-21","18:00:00",""
"4132353","7.5257","0.001","13.677","0.0017","17.867","0.002","90","","90","","90","","1839","0.4","153","","153.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 I O3 -","- C19 H25 I O3 -","- C76 H100 I4 O12 -","4","1","","Xu, Lun; Wang, Chao; Gao, Ziwei; Zhao, Yu-Ming","Total Synthesis of (±)-Cephanolides B and C via a Palladium-Catalyzed Cascade Cyclization and Late-Stage sp<sup>3</sup> C-H Bond Oxidation.","Journal of the American Chemical Society","2018","140","16","5653","5658","10.1021/jacs.8b03015","","","1.54178","CuKα","","0.0589","0.0587","","","0.1518","0.1522","","","","","","1.076","","","","has coordinates","242337","2020-10-21","18:00:00",""
"4132365","9.5667","0.0013","9.7395","0.0011","23.46","0.003","90","","90","","90","","2185.9","0.5","99","2","99.51","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 F6 O2 -","- C24 H23 F6 O2 -","- C96 H92 F24 O8 -","4","1","","Basnet, Prakash; Dhungana, Roshan K.; Thapa, Surendra; Shrestha, Bijay; Kc, Shekhar; Sears, Jeremiah M.; Giri, Ramesh","Ni-Catalyzed Regioselective β,δ-Diarylation of Unactivated Olefins in Ketimines via Ligand-Enabled Contraction of Transient Nickellacycles: Rapid Access to Remotely Diarylated Ketones.","Journal of the American Chemical Society","2018","140","25","7782","7786","10.1021/jacs.8b03163","","","0.71073","MoKα","","0.2225","0.0892","","","0.1357","0.1751","","","","","","0.977","","","","has coordinates","242349","2020-10-21","18:00:00",""
"4132366","10.0521","0.0004","12.6929","0.0008","15.0985","0.0008","90","","90","","90","","1926.42","0.18","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O3 S -","- C24 H18 O3 S -","- C96 H72 O12 S4 -","4","1","","Jia, Shiqi; Chen, Zhili; Zhang, Nan; Tan, Yu; Liu, Yidong; Deng, Jun; Yan, Hailong","Organocatalytic Enantioselective Construction of Axially Chiral Sulfone-Containing Styrenes.","Journal of the American Chemical Society","2018","140","23","7056","7060","10.1021/jacs.8b03211","","","0.71073","MoKα","","0.0546","0.0411","","","0.081","0.0899","","","","","","1.032","","","","has coordinates","242350","2020-10-21","18:00:00",""
"4132390","7.082","0.0006","10.1905","0.0008","22.8339","0.0018","90","","90","","90","","1647.9","0.2","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Chen, Gen-Qiang; Lin, Bi-Jin; Huang, Jia-Ming; Zhao, Ling-Yu; Chen, Qi-Shu; Jia, Shi-Peng; Yin, Qin; Zhang, Xumu","Design and Synthesis of Chiral oxa-Spirocyclic Ligands for Ir-Catalyzed Direct Asymmetric Reduction of Bringmann's Lactones with Molecular H<sub>2</sub>.","Journal of the American Chemical Society","2018","140","26","8064","8068","10.1021/jacs.8b03642","","x-ray","1.54178","CuKα","","0.0264","0.025","","","0.0627","0.0636","","","","","","1.043","","","","has coordinates","242369","2020-10-21","18:00:00",""
"4132417","5.6586","0.0001","12.5761","0.0003","25.22","0.0005","90","","90","","90","","1794.73","0.06","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O5 S -","- C17 H23 N O5 S -","- C68 H92 N4 O20 S4 -","4","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.0426","0.0371","","","0.0921","0.0958","","","","","","1.058","","","","has coordinates","242405","2020-10-21","18:00:00",""
"4132418","8.385","0.002","12.444","0.003","16.636","0.004","90","","90","","90","","1735.8","0.7","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","1","","Qi, Xiaoxu; Chen, Chaohuang; Hou, Chuanqi; Fu, Liang; Chen, Pinhong; Liu, Guosheng","Enantioselective Pd(II)-Catalyzed Intramolecular Oxidative 6- endo Aminoacetoxylation of Unactivated Alkenes.","Journal of the American Chemical Society","2018","140","24","7415","7419","10.1021/jacs.8b03767","","","0.71073","MoKα","","0.0509","0.0427","","","0.1151","0.1234","","","","","","1.086","","","","has coordinates","242406","2020-10-21","18:00:00",""
"4132435","8.943","0.005","10.923","0.006","11.682","0.006","90","","90","","90","","1141.1","1.1","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl Fe N2 -","- C11 H13 Cl Fe N2 -","- C44 H52 Cl4 Fe4 N8 -","4","1","","Drolen, Claire; Conklin, Eric; Hetterich, Stephen J.; Krishnamurthy, Aditi; Andrade, Gabriel A.; Dimeglio, John L.; Martin, Maxwell I.; Tran, Linh K.; Yap, Glenn P. A.; Rosenthal, Joel; Young, Elizabeth R.","pH-Driven Mechanistic Switching from Electron Transfer to Energy Transfer between [Ru(bpy)<sub>3</sub>]<sup>2+</sup> and Ferrocene Derivatives.","Journal of the American Chemical Society","2018","140","32","10169","10178","10.1021/jacs.8b03933","","","0.71073","MoKα","","0.0237","0.0231","","","0.0603","0.0612","","","","","","1.02","","","","has coordinates","242419","2020-10-21","18:00:00",""
"4132443","14.6844","0.0014","16.2869","0.0016","17.6979","0.0016","90","","90","","90","","4232.7","0.7","113","","113","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H61 Lu N2 O2 Si -","- C44 H61 Lu N2 O2 Si -","- C176 H244 Lu4 N8 O8 Si4 -","4","1","","Kundu, Abhinanda; Inoue, Mariko; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi","Direct ortho-C-H Aminoalkylation of 2-Substituted Pyridine Derivatives Catalyzed by Yttrium Complexes with N,N'-Diarylethylenediamido Ligands.","Journal of the American Chemical Society","2018","140","23","7332","7342","10.1021/jacs.8b03998","","","0.71075","MoKα","","0.0251","0.0207","","","0.0431","0.0439","","","","","","0.975","","","","has coordinates","242425","2020-10-21","18:00:00",""
"4132451","9.3356","0.0003","10.3523","0.0003","27.244","0.0009","90","","90","","90","","2632.99","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Cl N O5 -","- C26 H36 Cl N O5 -","- C104 H144 Cl4 N4 O20 -","4","1","","Zou, Yike; Li, Xiangqin; Yang, Yun; Berritt, Simon; Melvin, Jason; Gonzales, Stephen; Spafford, Matthew; Smith, 3rd, Amos B","Total Synthesis of (-)-Nodulisporic Acids D, C, and B: Evolution of a Unified Synthetic Strategy.","Journal of the American Chemical Society","2018","140","30","9502","9511","10.1021/jacs.8b04053","","","0.71073","MoKα","","0.0315","0.0307","","","0.0772","0.0779","","","","","","1.02","","","","has coordinates,has disorder","242433","2020-10-21","18:00:00",""
"4132477","8.954","0.003","13.437","0.004","24.882","0.008","90","","90","","90","","2993.7","1.7","110","","110","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cu Fe2 N5 O5 S2 -","- C27 H24 Cu Fe2 N5 O5 S2 -","- C108 H96 Cu4 Fe8 N20 O20 S8 -","4","1","","Sil, Debangsu; Martinez, Zachary; Ding, Shengda; Bhuvanesh, Nattamai; Darensbourg, Donald J.; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide Docking and Linkage Isomerism in Models for the Artificial [FeFe]-Hydrogenase Maturation Process.","Journal of the American Chemical Society","2018","140","31","9904","9911","10.1021/jacs.8b04189","","","0.71073","MoKα","","0.0725","0.0634","","","0.1261","0.13","","","","","","1.126","","","","has coordinates","242450","2020-10-21","18:00:00",""
"4132507","11.4235","0.0005","20.7153","0.0009","39.4855","0.0017","90","","90","","90","","9343.9","0.7","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H32 Cl F8 N4 O1.5 Ru -","- C50 H32 Cl F8 N4 O1.5 Ru -","- C400 H256 Cl8 F64 N32 O12 Ru8 -","8","2","","Shing, Ka-Pan; Cao, Bei; Liu, Yungen; Lee, Hung Kay; Li, Ming-De; Phillips, David Lee; Chang, Xiao-Yong; Che, Chi-Ming","Arylruthenium(III) Porphyrin-Catalyzed C-H Oxidation and Epoxidation at Room Temperature and [Ru<sup>V</sup>(Por)(O)(Ph)] Intermediate by Spectroscopic Analysis and Density Functional Theory Calculations.","Journal of the American Chemical Society","2018","140","22","7032","7042","10.1021/jacs.8b04470","","","1.54178","CuKα","","0.0674","0.0565","","","0.1668","0.1774","","","","","","1.126","","","","has coordinates,has disorder","242481","2020-10-21","18:00:00",""
"4132512","10.3057","0.0001","14.2256","0.0001","19.7173","0.0002","90","","90","","90","","2890.65","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 Au O4 P -","- C29 H40 Au O4 P -","- C116 H160 Au4 O16 P4 -","4","1","","Rocchigiani, Luca; Fernandez-Cestau, Julio; Chambrier, Isabelle; Hrobárik, Peter; Bochmann, Manfred","Unlocking Structural Diversity in Gold(III) Hydrides: Unexpected Interplay of cis/ trans-Influence on Stability, Insertion Chemistry, and NMR Chemical Shifts.","Journal of the American Chemical Society","2018","140","26","8287","8302","10.1021/jacs.8b04478","","x-ray","0.71073","MoKα","","0.0276","0.0271","","","0.0636","0.0639","","","","","","1.046","","","","has coordinates","242485","2020-10-21","18:00:00",""
"4132523","5.0523","0.0002","16.423","0.0005","17.2698","0.0005","90","","90","","90","","1432.94","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O S -","- C16 H19 N O S -","- C64 H76 N4 O4 S4 -","4","1","","Grélaud, Simon; Cooper, Phillippa; Feron, Lyman J.; Bower, John F.","Branch-Selective and Enantioselective Iridium-Catalyzed Alkene Hydroarylation via Anilide-Directed C-H Oxidative Addition.","Journal of the American Chemical Society","2018","140","30","9351","9356","10.1021/jacs.8b04627","","","0.71073","MoKα","","0.0356","0.0322","","","0.0762","0.0782","","","","","","1.05","","","","has coordinates","242493","2020-10-21","18:00:00",""
"4132524","5.0568","0.0001","16.3847","0.0004","17.2832","0.0004","90","","90","","90","","1431.98","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O S -","- C16 H19 N O S -","- C64 H76 N4 O4 S4 -","4","1","","Grélaud, Simon; Cooper, Phillippa; Feron, Lyman J.; Bower, John F.","Branch-Selective and Enantioselective Iridium-Catalyzed Alkene Hydroarylation via Anilide-Directed C-H Oxidative Addition.","Journal of the American Chemical Society","2018","140","30","9351","9356","10.1021/jacs.8b04627","","","0.71073","MoKα","","0.0322","0.0284","","","0.0683","0.07","","","","","","1.036","","","","has coordinates","242494","2020-10-21","18:00:00",""
"4132534","8.3584","0.0004","14.816","0.0005","18.9753","0.0006","90","","90","","90","","2349.86","0.16","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C104 H116 N4 O16 S4 -","4","1","","Li, Ke; Li, Mao-Lin; Zhang, Qi; Zhu, Shou-Fei; Zhou, Qi-Lin","Highly Enantioselective Nickel-Catalyzed Intramolecular Hydroalkenylation of N- and O-Tethered 1,6-Dienes To Form Six-Membered Heterocycles.","Journal of the American Chemical Society","2018","140","24","7458","7461","10.1021/jacs.8b04703","","x-ray","0.71073","MoKα","","0.0563","0.0469","","","0.1096","0.117","","","","","","1.084","","","","has coordinates","242504","2020-10-21","18:00:00",""
"4132539","10.2642","0.0003","15.4645","0.0005","18.4446","0.0007","90","","90","","90","","2927.72","0.17","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl O3 P2 Pd -","- C29 H39 Cl O3 P2 Pd -","- C116 H156 Cl4 O12 P8 Pd4 -","4","1","","Zhang, Wei; Waddell, Peter M.; Tiedemann, Margaret A.; Padilla, Christian E.; Mei, Jiajun; Chen, Liye; Carrow, Brad P.","Electron-Rich Metal Cations Enable Synthesis of High Molecular Weight, Linear Functional Polyethylenes.","Journal of the American Chemical Society","2018","140","28","8841","8850","10.1021/jacs.8b04712","","","0.71073","MoKα","","0.0387","0.0338","","","0.0718","0.0741","","","","","","1.031","","","","has coordinates","242507","2020-10-21","18:00:00",""
"4132547","14.4874","0.0002","19.8805","0.0003","20.6103","0.0003","90","","90","","90","","5936.11","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Shaoxx-2-214","","","- C34 H30 Br N2 O P -","- C34 H30 Br N2 O P -","- C272 H240 Br8 N16 O8 P8 -","8","2","","Shao, Xinxin; Li, Kangnan; Malcolmson, Steven J.","Enantioselective Synthesis of anti-1,2-Diamines by Cu-Catalyzed Reductive Couplings of Azadienes with Aldimines and Ketimines.","Journal of the American Chemical Society","2018","140","23","7083","7087","10.1021/jacs.8b04750","","","0.71073","MoKα","","0.0353","0.028","","","0.0568","0.0589","","","","","","1.024","","","","has coordinates","242513","2020-10-21","18:00:00",""
"4132550","15.4","0.0005","15.3943","0.0005","19.6252","0.0013","90","","90","","90","","4652.6","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H78 Cl3 Dy O4 P2 -","- C40 H78 Cl3 Dy O4 P2 -","- C160 H312 Cl12 Dy4 O16 P8 -","4","1","","Wang, Yu-Xia; Ma, Yinina; Chai, Yisheng; Shi, Wei; Sun, Young; Cheng, Peng","Observation of Magnetodielectric Effect in a Dysprosium-Based Single-Molecule Magnet.","Journal of the American Chemical Society","2018","140","25","7795","7798","10.1021/jacs.8b04818","","","0.71073","MoKα","","0.08","0.0612","","","0.1259","0.1451","","","","","","1.027","","","","has coordinates,has disorder","242516","2020-10-21","18:00:00",""
"4132561","9.8933","0.0015","17.768","0.003","19.173","0.003","90","","90","","90","","3370.3","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 Cr N2 -","- C38 H47 Cr N2 -","- C152 H188 Cr4 N8 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.0845","0.0515","","","0.1059","0.1214","","","","","","1.01","","","","has coordinates,has disorder","242521","2020-10-21","18:00:00",""
"4132562","12.4593","0.0004","12.8057","0.0004","30.868","0.001","90","","90","","90","","4925","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H71 Cr N2 P -","- C47 H59 Cr N2 P -","- C188 H236 Cr4 N8 P4 -","4","1","","Wu, Pengcheng; Yap, Glenn P. A.; Theopold, Klaus H.","Structure and Reactivity of Chromium(VI) Alkylidenes.","Journal of the American Chemical Society","2018","140","23","7088","7091","10.1021/jacs.8b04882","","","0.71073","MoKα","","0.1055","0.0642","","","0.1181","0.1339","","","","","","0.969","","","","has coordinates","242522","2020-10-21","18:00:00",""
"4132595","10.7865","0.0002","12.1566","0.0002","14.757","0.0003","90","","90","","90","","1935.04","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Cl3 N O2 -","- C20 H26 Cl3 N O2 -","- C80 H104 Cl12 N4 O8 -","4","1","","Kou, Kevin G. M.; Pflueger, Jason J.; Kiho, Toshihiro; Morrill, Louis C.; Fisher, Ethan L.; Clagg, Kyle; Lebold, Terry P.; Kisunzu, Jessica K.; Sarpong, Richmond","A Benzyne Insertion Approach to Hetisine-Type Diterpenoid Alkaloids: Synthesis of Cossonidine (Davisine).","Journal of the American Chemical Society","2018","140","26","8105","8109","10.1021/jacs.8b05043","","","1.54184","CuKα","","0.0479","0.0452","","","0.1213","0.1228","","","","","","1.072","","","","has coordinates","242540","2020-10-21","18:00:00",""
"4132596","15.6465","0.0004","16.924","0.0004","19.6011","0.0005","90","","90","","90","","5190.4","0.2","100","2","100.04","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H48 Cl7 Cu Fe N2 O2 -","- C57 H48 Cl7 Cu Fe N2 O2 -","- C228 H192 Cl28 Cu4 Fe4 N8 O8 -","4","1","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","0.71073","MoKα","","0.0574","0.0479","","","0.1319","0.1371","","","","","","1.071","","","","has coordinates","242542","2020-10-21","18:00:00",""
"4132598","11.4799","0.001","15.0428","0.0013","15.3127","0.0013","90","","90","","90","","2644.3","0.4","99.98","","99.98","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Cl Cu Fe N2 O2 -","- C29 H32 Cl Cu Fe N2 O2 -","- C116 H128 Cl4 Cu4 Fe4 N8 O8 -","4","1","","Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.","Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.","Journal of the American Chemical Society","2018","140","34","10644","10648","10.1021/jacs.8b05045","","","1.54178","CuKα","","0.0211","0.0211","","","0.0558","0.0558","","","","","","1.058","","","","has coordinates","242544","2020-10-21","18:00:00",""
"4132608","6.9433","0.0003","11.2978","0.0011","22.534","0.003","90","","90","","90","","1767.7","0.3","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Title","","- C18 H14 Fe O7 -","- C18 H14 Fe O7 -","- C72 H56 Fe4 O28 -","4","1","","Zhuo, Chun-Xiang; Fürstner, Alois","Catalysis-Based Total Syntheses of Pateamine A and DMDA-Pat A.","Journal of the American Chemical Society","2018","140","33","10514","10523","10.1021/jacs.8b05094","","","","","","","","","","","","","","","","","","","","","has coordinates","242555","2020-10-21","18:00:00",""
"4132611","22.291","0.011","5.553","0.003","6.631","0.003","90","","90","","90","","820.8","0.7","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 Ag2 N4 -","- C6 H6 Ag2 N4 -","- C24 H24 Ag8 N16 -","4","1","","Yang, Chen; Zhang, Chong; Zheng, Zhansheng; Jiang, Chao; Luo, Jun; Du, Yang; Hu, Bingcheng; Sun, Chengguo; Christe, Karl O.","Synthesis and Characterization of cyclo-Pentazolate Salts of NH<sub>4</sub><sup>+</sup>, NH<sub>3</sub>OH<sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup>, C(NH<sub>2</sub>)<sub>3</sub><sup>+</sup>, and N(CH<sub>3</sub>)<sub>4</sub><sup/>.","Journal of the American Chemical Society","2018","140","48","16488","16494","10.1021/jacs.8b05106","","","0.71073","MoKα","","0.1137","0.0903","","","0.2028","0.2186","","","","","","1.186","","","","has coordinates","242558","2020-10-21","18:00:00",""
"4132682","10.6312","0.0009","13.2056","0.001","17.7225","0.0015","90","","90","","90","","2488.1","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 Au Cl N -","- C28 H41 Au Cl N -","- C112 H164 Au4 Cl4 N4 -","4","1","","Weinstein, Cory M.; Junor, Glen P.; Tolentino, Daniel R.; Jazzar, Rodolphe; Melaimi, Mohand; Bertrand, Guy","Highly Ambiphilic Room Temperature Stable Six-Membered Cyclic (Alkyl)(amino)carbenes.","Journal of the American Chemical Society","2018","140","29","9255","9260","10.1021/jacs.8b05518","","x-ray","0.71073","MoKα","","0.0201","0.019","","","0.0406","0.041","","","","","","0.77","","","","has coordinates","242609","2020-10-21","18:00:00",""
"4132689","9.2522","0.0008","10.3247","0.0009","19.5321","0.0016","90","","90","","90","","1865.8","0.3","100","","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl N O3 -","- C20 H24 Cl N O3 -","- C80 H96 Cl4 N4 O12 -","4","1","","Deng, Lin; Chen, Mengqing; Dong, Guangbin","Concise Synthesis of (-)-Cycloclavine and (-)-5- epi-Cycloclavine via Asymmetric C-C Activation.","Journal of the American Chemical Society","2018","140","30","9652","9658","10.1021/jacs.8b05549","","","0.71073","MoKα","","0.0689","0.0485","","","0.1097","0.1175","","","","","","1.041","","","","has coordinates","242612","2020-10-21","18:00:00",""
"4132691","12.941","0.0003","13.1806","0.0003","18.8817","0.0004","90","","90","","90","","3220.65","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 O7 -","- C36 H42 O7 -","- C144 H168 O28 -","4","1","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","1.54178","CuKα","","0.0427","0.0391","","","0.0943","0.0971","","","","","","1.165","","","","has coordinates,has disorder","242614","2020-10-21","18:00:00",""
"4132694","7.2794","0.0002","7.976","0.0002","28.9295","0.0008","90","","90","","90","","1679.66","0.08","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Liu, Wei; Ali, Siraj Z.; Ammann, Stephen E.; White, M. Christina","Asymmetric Allylic C-H Alkylation via Palladium(II)/ cis-ArSOX Catalysis.","Journal of the American Chemical Society","2018","140","34","10658","10662","10.1021/jacs.8b05668","","","1.54178","CuKα","","0.0316","0.0293","","","0.0695","0.0709","","","","","","1.071","","","","has coordinates","242617","2020-10-21","18:00:00",""
"4132705","12.5757","0.0002","18.6738","0.0002","41.8847","0.0006","90","","90","","90","","9836","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H64 O12 S2 -","- C53 H64 O12 S2 -","- C424 H512 O96 S16 -","8","2","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.0713","0.0485","","","0.1139","0.1291","","","","","","1.05","","","","has coordinates","242628","2020-10-21","18:00:00",""
"4132706","12.5633","0.0002","18.6928","0.0003","41.9876","0.0007","90","","90","","90","","9860.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H64 O12 S2 -","- C53 H64 O12 S2 -","- C424 H512 O96 S16 -","8","2","","Lee, Eunji; Ju, Huiyeong; Park, In-Hyeok; Jung, Jong Hwa; Ikeda, Mari; Kuwahara, Shunsuke; Habata, Yoichi; Lee, Shim Sung","pseudo[1]Catenane-Type Pillar[5]thiacrown Whose Planar Chiral Inversion is Triggered by Metal Cation and Controlled by Anion.","Journal of the American Chemical Society","2018","140","30","9669","9677","10.1021/jacs.8b05751","","","0.71073","MoKα","","0.1154","0.0552","","","0.1135","0.1306","","","","","","1.002","","","","has coordinates","242628","2020-10-21","18:00:00",""
"4132709","6.3698","0.0005","13.228","0.0012","34.571","0.002","90","","90","","90","","2912.9","0.4","120","0.1","120","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O4 -","- C35 H44 O4 -","- C140 H176 O16 -","4","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.0806","0.057","","","0.0933","0.1045","","","","","","1.034","","","","has coordinates","242629","2020-10-21","18:00:00",""
"4132710","11.1414","0.0003","12.4672","0.0004","21.0621","0.0005","90","","90","","90","","2925.57","0.14","120","0.1","120","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O4 -","- C35 H44 O4 -","- C140 H176 O16 -","4","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.0577","0.0451","","","0.0862","0.093","","","","","","1.052","","","","has coordinates","242630","2020-10-21","18:00:00",""
"4132711","7.7029","0.0004","14.6019","0.0006","21.1006","0.0009","90","","90","","90","","2373.33","0.19","120","10","120","10","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O4 -","- C28 H38 O4 -","- C112 H152 O16 -","4","1","","Wang, Yaxin; Hu, Xiafei; Morales-Rivera, Cristian A; Li, Guo-Xing; Huang, Xin; He, Gang; Liu, Peng; Chen, Gong","Epimerization of Tertiary Carbon Centers via Reversible Radical Cleavage of Unactivated C(sp<sup>3</sup>)-H Bonds.","Journal of the American Chemical Society","2018","140","30","9678","9684","10.1021/jacs.8b05753","","x-ray","0.71073","MoKα","","0.05","0.0398","","","0.0825","0.0896","","","","","","1.037","","","","has coordinates","242631","2020-10-21","18:00:00",""
"4132720","7.6488","0.0001","14.2419","0.0001","28.2187","0.0002","90","","90","","90","","3073.96","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 F O2 -","- C18 H21 F O2 -","- C144 H168 F8 O16 -","8","2","","Blümel, Marcus; Nagasawa, Shota; Blackford, Katherine; Hare, Stephanie R.; Tantillo, Dean J.; Sarpong, Richmond","Rearrangement of Hydroxylated Pinene Derivatives to Fenchone-Type Frameworks: Computational Evidence for Dynamically-Controlled Selectivity.","Journal of the American Chemical Society","2018","140","29","9291","9298","10.1021/jacs.8b05804","","","1.54184","CuKα","","0.0305","0.0296","","","0.0754","0.076","","","","","","1.076","","","","has coordinates","242641","2020-10-21","18:00:00",""
"4132722","8.10217","0.00006","12.10152","0.0001","17.38923","0.00014","90","","90","","90","","1704.99","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 F N O5 -","- C17 H22 F N O5 -","- C68 H88 F4 N4 O20 -","4","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","1.54184","CuKα","","0.023","0.0227","","","0.0568","0.057","","","","","","1.04","","","","has coordinates","242643","2020-10-21","18:00:00",""
"4132724","6.05736","0.00004","8.48378","0.00006","34.6061","0.0003","90","","90","","90","","1778.38","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 F N O6 -","- C17 H24 F N O6 -","- C68 H96 F4 N4 O24 -","4","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","1.54184","CuKα","","0.0221","0.022","","","0.0535","0.0535","","","","","","1.067","","","","has coordinates","242645","2020-10-21","18:00:00",""
"4132725","8.61245","0.00005","10.21862","0.00006","18.99958","0.00012","90","","90","","90","","1672.1","0.017","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 F N O5 -","- C17 H22 F N O5 -","- C68 H88 F4 N4 O20 -","4","1","","Testa, Andrea; Lucas, Xavier; Castro, Guilherme V.; Chan, Kwok-Ho; Wright, Jane E.; Runcie, Andrew C.; Gadd, Morgan S.; Harrison, William T. A.; Ko, Eun-Jung; Fletcher, Daniel; Ciulli, Alessio","3-Fluoro-4-hydroxyprolines: Synthesis, Conformational Analysis, and Stereoselective Recognition by the VHL E3 Ubiquitin Ligase for Targeted Protein Degradation.","Journal of the American Chemical Society","2018","140","29","9299","9313","10.1021/jacs.8b05807","","","1.54184","CuKα","","0.0237","0.0237","","","0.0573","0.0573","","","","","","1.059","","","","has coordinates","242646","2020-10-21","18:00:00",""
"4132726","8.2353","0.0003","13.2333","0.0005","15.1468","0.0005","90","","90","","90","","1650.7","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","1.54178","CuKα","","0.0294","0.0291","","","0.0977","0.0983","","","","","","0.945","","","","has coordinates","242647","2020-10-21","18:00:00",""
"4132727","9.3299","0.0004","11.8388","0.0005","20.3171","0.0009","90","","90","","90","","2244.12","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C112 H104 N8 O8 -","- C112 H104 N8 O8 -","- C112 H104 N8 O8 -","1","0.25","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","1.54178","CuKα","","0.0353","0.0351","","","0.1082","0.1086","","","","","","0.867","","","","has coordinates","242648","2020-10-21","18:00:00",""
"4132728","11.48","0.0007","12.905","0.0008","28.8426","0.0017","90","","90","","90","","4273","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Cl N O0.5 -","- C26 H23 Cl N O0.5 -","- C208 H184 Cl8 N8 O4 -","8","2","","Carmona, José A; Hornillos, Valentín; Ramírez-López, Pedro; Ros, Abel; Iglesias-Sigüenza, Javier; Gómez-Bengoa, Enrique; Fernández, Rosario; Lassaletta, José M","Dynamic Kinetic Asymmetric Heck Reaction for the Simultaneous Generation of Central and Axial Chirality.","Journal of the American Chemical Society","2018","140","35","11067","11075","10.1021/jacs.8b05819","","","1.54175","CuKα","","0.0393","0.039","","","0.1223","0.1229","","","","","","1.117","","","","has coordinates","242649","2020-10-21","18:00:00",""
"4132786","6.7003","0.0001","14.5512","0.0003","20.4826","0.0004","90","","90","","90","","1997","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Wang, Yu; Ju, Wei; Tian, Hailong; Tian, Weisheng; Gui, Jinghan","Scalable Synthesis of Cyclocitrinol.","Journal of the American Chemical Society","2018","140","30","9413","9416","10.1021/jacs.8b06444","","","1.54178","CuKα","","0.0382","0.0374","","","0.1049","0.1059","","","","","","1.051","","","","has coordinates","242684","2020-10-21","18:00:00",""
"4132796","9.2547","0.0001","14.4223","0.0003","16.4644","0.0002","90","","90","","90","","2197.57","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 B N O2 -","- C25 H32 B N O2 -","- C100 H128 B4 N4 O8 -","4","1","","Panda, Santanu; Ready, Joseph M.","Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters.","Journal of the American Chemical Society","2018","140","41","13242","13252","10.1021/jacs.8b06629","","","1.54184","CuKα","","0.0345","0.0343","","","0.0866","0.0868","","","","","","1.019","","","","has coordinates","242696","2020-10-21","18:00:00",""
"4132804","7.8167","0.0003","15.1723","0.0005","20.1325","0.0007","90","","90","","90","","2387.66","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N2 O4 -","- C25 H36 N2 O4 -","- C100 H144 N8 O16 -","4","1","","Shang, Ming; Chan, Jessica Z.; Cao, Min; Chang, Yejin; Wang, Qifan; Cook, Brennan; Torker, Sebastian; Wasa, Masayuki","C-H Functionalization of Amines via Alkene-Derived Nucleophiles through Cooperative Action of Chiral and Achiral Lewis Acid Catalysts: Applications in Enantioselective Synthesis.","Journal of the American Chemical Society","2018","140","33","10593","10601","10.1021/jacs.8b06699","","","1.54178","CuKα","","0.0574","0.0461","","","0.1154","0.1232","","","","","","1.026","","","","has coordinates","242705","2020-10-21","18:00:00",""
"4132827","8.2246","0.0004","11.1146","0.0005","13.3192","0.0006","90","","90","","90","","1217.55","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Wang, Chao; Ge, Shaozhong","Versatile Cobalt-Catalyzed Enantioselective Entry to Boryl-Functionalized All-Carbon Quaternary Stereogenic Centers.","Journal of the American Chemical Society","2018","140","34","10687","10690","10.1021/jacs.8b06814","","","1.54178","CuKα","","0.0258","0.0256","","","0.0672","0.0675","","","","","","1.061","","","","has coordinates","242725","2020-10-21","18:00:00",""
"4132828","9.6162","0.0003","11.1763","0.0004","19.1286","0.0007","90","","90","","90","","2055.82","0.12","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H32 O4 Si -","- C17 H32 O4 Si -","- C68 H128 O16 Si4 -","4","1","","Shim, Su Yong; Choi, Yuna; Ryu, Do Hyun","Asymmetric Synthesis of Cyclobutanone via Lewis Acid Catalyzed Tandem Cyclopropanation/Semipinacol Rearrangement.","Journal of the American Chemical Society","2018","140","36","11184","11188","10.1021/jacs.8b06835","","","0.71073","MoKα","","0.0813","0.0511","","","0.1123","0.1283","","","","","","1.035","","","","has coordinates","242726","2020-10-21","18:00:00",""
"4132847","12.5497","0.0017","16.7205","0.0017","49.892","0.007","90","","90","","90","","10469","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H83 Cl17 N4 O S6 -","- C94 H83 Cl17 N4 O S6 -","- C376 H332 Cl68 N16 O4 S24 -","4","1","","Sarma, Tridib; Kim, Gakhyun; Sen, Sajal; Cha, Won-Young; Duan, Zhiming; Moore, Matthew D.; Lynch, Vincent M.; Zhang, Zhan; Kim, Dongho; Sessler, Jonathan L.","Proton-Coupled Redox Switching in an Annulated π-Extended Core-Modified Octaphyrin.","Journal of the American Chemical Society","2018","140","38","12111","12119","10.1021/jacs.8b06938","","","1.54184","CuKα","","0.2229","0.1417","","","0.2946","0.3695","","","","","","1.116","","","","has coordinates,has disorder","242739","2020-10-21","18:00:00",""
"4132852","8.4494","0.0006","12.7483","0.0008","25.855","0.002","90","","90","","90","","2785","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 I N O -","- C16 H14 I N O -","- C128 H112 I8 N8 O8 -","8","2","","Yoon, Hyung; Marchese, Austin D.; Lautens, Mark","Carboiodination Catalyzed by Nickel.","Journal of the American Chemical Society","2018","140","35","10950","10954","10.1021/jacs.8b06966","","","0.71073","MoKα","","0.052","0.0392","","","0.0859","0.0908","","","","","","1.045","","","","has coordinates,has disorder","242744","2020-10-21","18:00:00",""
"4132859","5.7976","0.0004","9.0018","0.0007","32.4827","0.0018","90","","90","","90","","1695.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O -","- C23 H22 O -","- C92 H88 O4 -","4","1","","Huang, Rui-Zhi; Lau, Kai Kiat; Li, Zhaofeng; Liu, Tang-Lin; Zhao, Yu","Rhodium-Catalyzed Enantioconvergent Isomerization of Homoallylic and Bishomoallylic Secondary Alcohols.","Journal of the American Chemical Society","2018","140","44","14647","14654","10.1021/jacs.8b07007","","","1.54178","CuKα","","0.0289","0.0288","","","0.0771","0.0771","","","","","","0.999","","","","has coordinates","242747","2020-10-21","18:00:00",""
"4132885","8.1187","0.0005","17.3795","0.0011","26.7272","0.0017","90","","90","","90","","3771.2","0.4","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H55 N O4 -","- C46 H55 N O4 -","- C184 H220 N4 O16 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0589","0.0455","","","0.1053","0.1125","","","","","","1.031","","","","has coordinates","242758","2020-10-21","18:00:00",""
"4132886","11.4166","0.0014","11.8782","0.0015","13.8141","0.0017","90","","90","","90","","1873.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N O2 P -","- C22 H24 N O2 P -","- C88 H96 N4 O8 P4 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0481","0.0437","","","0.1037","0.1069","","","","","","1.053","","","","has coordinates","242759","2020-10-21","18:00:00",""
"4132888","11.5285","0.0015","14.1892","0.0018","18.146","0.002","90","","90","","90","","2968.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 N O2 P -","- C36 H36 N O2 P -","- C144 H144 N4 O8 P4 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.064","0.0506","","","0.1218","0.1306","","","","","","1.023","","","","has coordinates","242761","2020-10-21","18:00:00",""
"4132891","9.9333","0.0009","11.0826","0.001","17.7523","0.0017","90","","90","","90","","1954.3","0.3","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 -","- C28 H24 -","- C112 H96 -","4","1","","Zheng, Zhiyao; Cao, Yuxi; Chong, Qinglei; Han, Zhaobin; Ding, Jiaming; Luo, Chenguang; Wang, Zheng; Zhu, Dongsheng; Zhou, Qi-Lin; Ding, Kuiling","Chiral Cyclohexyl-Fused Spirobiindanes: Practical Synthesis, Ligand Development, and Asymmetric Catalysis.","Journal of the American Chemical Society","2018","140","32","10374","10381","10.1021/jacs.8b07125","","","0.71073","MoKα","","0.0568","0.0419","","","0.0949","0.1024","","","","","","1.021","","","","has coordinates","242764","2020-10-21","18:00:00",""
"4132895","10.2985","0.0004","22.9298","0.0009","25.5072","0.0009","90","","90","","90","","6023.3","0.4","100","2","100.29","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55.8 H43.2 Cl2 F9 N6 O12.8 S2 Zn2 -","- C55.8 H43.2 Cl2 F9 N6 O12.8 S2 Zn2 -","- C223.2 H172.8 Cl8 F36 N24 O51.2 S8 Zn8 -","4","1","","Zhang, Shi-Yuan; Jensen, Stephanie; Tan, Kui; Wojtas, Lukasz; Roveto, Matthew; Cure, Jeremy; Thonhauser, Timo; Chabal, Yves J.; Zaworotko, Michael J.","Modulation of Water Vapor Sorption by a Fourth-Generation Metal-Organic Material with a Rigid Framework and Self-Switching Pores.","Journal of the American Chemical Society","2018","140","39","12545","12552","10.1021/jacs.8b07290","","","1.54178","CuKα","","0.0681","0.0657","","","0.1934","0.1953","","","","","","1.101","","","","has coordinates,has disorder","242769","2020-10-21","18:00:00",""
"4132906","6.4918","0.0002","15.5506","0.0004","15.7687","0.0005","90","","90","","90","","1591.87","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Yang, Qi-Liang; Wang, Xiang-Yang; Lu, Jia-Yan; Zhang, Li-Pu; Fang, Ping; Mei, Tian-Sheng","Copper-Catalyzed Electrochemical C-H Amination of Arenes with Secondary Amines.","Journal of the American Chemical Society","2018","140","36","11487","11494","10.1021/jacs.8b07380","","","0.71073","MoKα","","0.0388","0.0342","","","0.0826","0.0861","","","","","","1.042","","","","has coordinates","242781","2020-10-21","18:00:00",""
"4132910","7.4513","0.0006","12.5611","0.0011","18.4953","0.0015","90","","90","","90","","1731.1","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl O4 -","- C21 H17 Cl O4 -","- C84 H68 Cl4 O16 -","4","1","","Leth, Lars A.; Næsborg, Line; Reyes-Rodríguez, Gabriel J; Tobiesen, Henriette N.; Iversen, Marc V.; Jørgensen, Karl Anker","Enantioselective Oxidative Coupling of Carboxylic Acids to α-Branched Aldehydes.","Journal of the American Chemical Society","2018","140","40","12687","12690","10.1021/jacs.8b07394","","","0.56086","AgKα","","0.0301","0.0286","","","0.0949","0.0976","","","","","","0.8658","","","","has coordinates","242785","2020-10-21","18:00:00",""
"4132931","5.5448","0.0011","10.37","0.002","37.244","0.008","90","","90","","90","","2141.5","0.8","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br F3 N4 O3 S -","- C19 H16 Br F3 N4 O3 S -","- C76 H64 Br4 F12 N16 O12 S4 -","4","1","","Fu, Liang; Zhou, Song; Wan, Xiaolong; Chen, Pinhong; Liu, Guosheng","Enantioselective Trifluoromethylalkynylation of Alkenes via Copper-Catalyzed Radical Relay.","Journal of the American Chemical Society","2018","140","35","10965","10969","10.1021/jacs.8b07436","","","0.71073","MoKα","","0.112","0.0586","","","0.1472","0.1749","","","","","","1.014","","","","has coordinates","242792","2020-10-21","18:00:00",""
"4132933","13.3863","0.0003","17.7438","0.0004","40.7345","0.0013","90","","90","","90","","9675.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Fe(SBPy3)Zn(tpena)](ClO4)6(H2O)3","","","- C42 H45 Cl3 Fe N10 O15.5 Zn -","- C42 H45 Cl3 Fe N10 O15.5 Zn -","- C336 H360 Cl24 Fe8 N80 O124 Zn8 -","8","2","","Wegeberg, Christina; Fernández-Alvarez, Víctor M; de Aguirre, Adiran; Frandsen, Cathrine; Browne, Wesley R.; Maseras, Feliu; McKenzie, Christine J.","Photoinduced O<sub>2</sub>-Dependent Stepwise Oxidative Deglycination of a Nonheme Iron(III) Complex.","Journal of the American Chemical Society","2018","140","43","14150","14160","10.1021/jacs.8b07455","","","1.54184","CuKα","","0.0819","0.0765","","","0.184","0.1885","","","","","","1.059","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4132934","9.9843","0.0007","12.6207","0.0007","16.1903","0.0017","90","","90","","90","","2040.1","0.3","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C4 H18 Ga2 N2 O S7 Sb2 -","- C4 H18 Ga2 N2 O S7 Sb2 -","- C16 H72 Ga8 N8 O4 S28 Sb8 -","4","1","","Feng, Mei-Ling; Sarma, Debajit; Gao, Yu-Jie; Qi, Xing-Hui; Li, Wei-An; Huang, Xiao-Ying; Kanatzidis, Mercouri G.","Efficient Removal of [UO<sub>2</sub>]<sup>2+</sup>, Cs<sup>+</sup>, and Sr<sup>2+</sup> Ions by Radiation-Resistant Gallium Thioantimonates.","Journal of the American Chemical Society","2018","140","35","11133","11140","10.1021/jacs.8b07457","","","0.71073","MoKα","","0.0652","0.0527","","","0.112","0.1182","","","","","","1.007","","","","has coordinates","242795","2020-10-21","18:00:00",""
"4132938","8.2945","0.0017","16.449","0.004","18.288","0.004","90","","90","","90","","2495.1","1","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 B N3 O3 S -","- C24 H34 B N3 O3 S -","- C96 H136 B4 N12 O12 S4 -","4","1","","Hayama, Noboru; Kuramoto, Ryuta; Földes, Tamás; Nishibayashi, Kazuya; Kobayashi, Yusuke; Pápai, Imre; Takemoto, Yoshiji","Mechanistic Insight into Asymmetric Hetero-Michael Addition of α,β-Unsaturated Carboxylic Acids Catalyzed by Multifunctional Thioureas.","Journal of the American Chemical Society","2018","140","38","12216","12225","10.1021/jacs.8b07511","","","1.54187","CuKα","","","0.0431","","","","0.1051","","","","","","2.021","","","","has coordinates","242801","2020-10-21","18:00:00",""
"4132942","8.9198","0.0001","14.4186","0.0001","29.7333","0.0002","90","","90","","90","","3824.03","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S)-1-(5-bromo-2-chlorophenyl)-2,2-diphenylcyclopropanecarboxylic acid","","- C22 H16 Br Cl O2 -","- C22 H16 Br Cl O2 -","- C176 H128 Br8 Cl8 O16 -","8","2","","Liu, Wenbin; Ren, Zhi; Bosse, Aaron T.; Liao, Kuangbiao; Goldstein, Elizabeth L.; Bacsa, John; Musaev, Djamaladdin G.; Stoltz, Brian M.; Davies, Huw M. L.","Catalyst-Controlled Selective Functionalization of Unactivated C-H Bonds in the Presence of Electronically Activated C-H Bonds.","Journal of the American Chemical Society","2018","140","38","12247","12255","10.1021/jacs.8b07534","","x-ray","1.54184","CuKα","","0.0253","0.0242","","","0.0618","0.0621","","","","","","1.057","","","","has coordinates,has disorder","242805","2020-10-21","18:00:00",""
"4132994","10.049","0.004","15.976","0.007","18.86","0.008","90","","90","","90","","3028","2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F6 Mn N5 O8 S2 -","- C25 H22 F6 Mn N5 O8 S2 -","- C100 H88 F24 Mn4 N20 O32 S8 -","4","1","","Sankaralingam, Muniyandi; Lee, Yong-Min; Karmalkar, Deepika G.; Nam, Wonwoo; Fukuzumi, Shunichi","A Mononuclear Non-heme Manganese(III)-Aqua Complex as a New Active Oxidant in Hydrogen Atom Transfer Reactions.","Journal of the American Chemical Society","2018","140","40","12695","12699","10.1021/jacs.8b07772","","","0.71073","MoKα","","0.0366","0.032","","","0.0697","0.0716","","","","","","1.027","","","","has coordinates","242846","2020-10-21","18:00:00",""
"4133009","14.629","0.0005","14.9866","0.0005","22.4078","0.0007","90","","90","","90","","4912.7","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C79 H86 B22 Cl22 N2 -","- C79 H86 B22 Cl22 N2 -","- C158 H172 B44 Cl44 N4 -","2","0.5","","Lin, Furong; Yu, Jing-Lu; Shen, Yunjun; Zhang, Shuo-Qing; Spingler, Bernhard; Liu, Jiyong; Hong, Xin; Duttwyler, Simon","Palladium-Catalyzed Selective Five-Fold Cascade Arylation of the 12-Vertex Monocarborane Anion by B-H Activation.","Journal of the American Chemical Society","2018","140","42","13798","13807","10.1021/jacs.8b07872","","","0.71073","MoKα","","0.0712","0.0609","","","0.16","0.1712","","","","","","1.062","","","","has coordinates,has disorder","242862","2020-10-21","18:00:00",""
"4133035","10.827","0.0003","11.5685","0.0003","21.0508","0.0005","90","","90","","90","","2636.66","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C120 H136 N8 O16 -","8","2","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0272","0.0261","","","0.0653","0.0661","","","","","","1.057","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133036","7.6815","0.0002","10.626","0.0003","22.9383","0.0006","90","","90","","90","","1872.31","0.09","100","2","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0316","0.0291","","","0.0712","0.0734","","","","","","1.086","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133037","7.6714","0.0003","10.6397","0.0004","22.9376","0.0008","90","","90","","90","","1872.2","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0284","0.0273","","","0.0679","0.0692","","","","","","1.086","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133038","7.8914","0.0001","14.9048","0.0003","16.1601","0.0003","90","","90","","90","","1900.75","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","","1.54178","CuKα","","0.0331","0.0301","","","0.0729","0.0749","","","","","","1.054","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133039","7.8906","0.0003","14.9107","0.0004","16.1614","0.0005","90","","90","","90","","1901.46","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Ahuja, Sapna; Raghunathan, Ramya; Kumarasamy, Elango; Jockusch, Steffen; Sivaguru, Jayaraman","Realizing the Photoene Reaction with Alkenes under Visible Light Irradiation and Bypassing the Favored [2 + 2]-Photocycloaddition.","Journal of the American Chemical Society","2018","140","41","13185","13189","10.1021/jacs.8b08100","","x-ray","1.54178","CuKα","K-L~3~","0.0289","0.0278","","","0.0692","0.0701","","","","","","1.07","","","","has coordinates","242888","2020-10-21","18:00:00",""
"4133205","8.6308","0.0007","13.3546","0.0012","15.575","0.0014","90","","90","","90","","1795.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F3 N O4 S -","- C16 H16 F3 N O4 S -","- C64 H64 F12 N4 O16 S4 -","4","1","","Qiu, Dachuan; Shi, Jiarong; Guo, Qianyu; Xu, Qiuxia; Li, Baosheng; Li, Yang","Cyclohexenynone Precursors: Preparation via Oxidative Dearomatization Strategy and Reactivity.","Journal of the American Chemical Society","2018","140","41","13214","13218","10.1021/jacs.8b08915","","","0.71073","MoKα","","0.1074","0.0699","","","0.1695","0.2003","","","","","","1.036","","","","has coordinates","243042","2020-10-21","18:00:00",""
"4133213","7.4084","0.0002","13.4101","0.0005","20.1483","0.0006","90","","90","","90","","2001.68","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 F3 N4 O3 -","- C20 H19 F3 N4 O3 -","- C80 H76 F12 N16 O12 -","4","1","","Hu, Bin; Bezpalko, Mark W.; Fei, Chao; Dickie, Diane A.; Foxman, Bruce M.; Deng, Li","Origin of and a Solution for Uneven Efficiency by Cinchona Alkaloid-Derived, Pseudoenantiomeric Catalysts for Asymmetric Reactions.","Journal of the American Chemical Society","2018","140","42","13913","13920","10.1021/jacs.8b09010","","","1.54178","CuKα","","0.0271","0.0262","","0.0685","0.0677","0.0685","","","","","","0.9959","","","","has coordinates","243050","2020-10-21","18:00:00",""
"4133235","5.551","0.0003","10.2724","0.0005","27.7122","0.0013","90","","90","","90","","1580.21","0.14","146","2","146","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","C12H13N2O4S","","","- C13 H16 Cl2 N2 O4 S -","- C13 H16 Cl2 N2 O4 S -","- C52 H64 Cl8 N8 O16 S4 -","4","1","","Mavila, Sudheendran; Worrell, Brady T.; Culver, Heidi R.; Goldman, Trevor M.; Wang, Chen; Lim, Chern-Hooi; Domaille, Dylan W.; Pattanayak, Sankha; McBride, Matthew K.; Musgrave, Charles B.; Bowman, Christopher N.","Dynamic and Responsive DNA-like Polymers.","Journal of the American Chemical Society","2018","140","42","13594","13598","10.1021/jacs.8b09105","","","0.71073","MoKα","","0.0423","0.0365","","","0.0913","0.0958","","","","","","1.044","","","","has coordinates","243067","2020-10-21","18:00:00",""
"4133273","8.9313","0.0003","12.0973","0.0005","12.7783","0.0005","90","","90","","90","","1380.63","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Li, Xiang; Zhou, Bo; Yang, Run-Ze; Yang, Fu-Ming; Liang, Ren-Xiao; Liu, Ren-Rong; Jia, Yi-Xia","Palladium-Catalyzed Enantioselective Intramolecular Dearomative Heck Reaction.","Journal of the American Chemical Society","2018","140","42","13945","13951","10.1021/jacs.8b09186","","","1.54178","CuKα","","0.0308","0.0281","","","0.0765","0.0793","","","","","","1.003","","","","has coordinates","243105","2020-10-21","18:00:00",""
"4133282","8.3958","0.0004","9.7344","0.0005","18.4678","0.0009","90","","90","","90","","1509.34","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 S -","- C17 H15 N O4 S -","- C68 H60 N4 O16 S4 -","4","1","","Li, Yanjun; Zhou, Kexu; Wen, Zhaorui; Cao, Shi; Shen, Xiang; Lei, Meng; Gong, Lei","Copper(II)-Catalyzed Asymmetric Photoredox Reactions: Enantioselective Alkylation of Imines Driven by Visible Light.","Journal of the American Chemical Society","2018","140","46","15850","15858","10.1021/jacs.8b09251","","","0.71073","MoKα","","0.0464","0.0399","","","0.0936","0.1009","","","","","","1.026","","","","has coordinates","243114","2020-10-21","18:00:00",""
"4133283","14.1079","0.0008","20.7305","0.0013","32.5579","0.0019","90","","90","","90","","9522","1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C86 H99 B2 Cl12 Cu2 F8 N4 O9 -","- C86 H99 B2 Cl12 Cu2 F8 N4 O9 -","- C344 H396 B8 Cl48 Cu8 F32 N16 O36 -","4","1","","Li, Yanjun; Zhou, Kexu; Wen, Zhaorui; Cao, Shi; Shen, Xiang; Lei, Meng; Gong, Lei","Copper(II)-Catalyzed Asymmetric Photoredox Reactions: Enantioselective Alkylation of Imines Driven by Visible Light.","Journal of the American Chemical Society","2018","140","46","15850","15858","10.1021/jacs.8b09251","","","1.54184","CuKα","","0.0991","0.0766","","","0.201","0.2353","","","","","","1.038","","","","has coordinates,has disorder","243115","2020-10-21","18:00:00",""
"4133309","5.5125","0.0001","13.5718","0.0003","14.9","0.0003","90","","90","","90","","1114.74","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","1.54178","CuKα","","0.0341","0.0334","","","0.0887","0.0898","","","","","","1.102","","","","has coordinates","243130","2020-10-21","18:00:00",""
"4133310","5.3565","0.0005","22.187","0.002","23.89","0.002","90","","90","","90","","2839.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 F N3 O4 -","- C32 H32 F N3 O4 -","- C128 H128 F4 N12 O16 -","4","1","","Zhong, Feng; Yue, Wen-Jun; Zhang, Hai-Jun; Zhang, Cheng-Yuan; Yin, Liang","Catalytic Asymmetric Construction of Halogenated Stereogenic Carbon Centers by Direct Vinylogous Mannich-Type Reaction.","Journal of the American Chemical Society","2018","140","45","15170","15175","10.1021/jacs.8b09484","","","0.71073","MoKα","","0.0635","0.0436","","","0.0917","0.0996","","","","","","1.006","","","","has coordinates","243131","2020-10-21","18:00:00",""
"4133319","6.261","0.0007","7.4076","0.0008","24.242","0.002","90","","90","","90","","1124.3","0.2","175","","175","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C52 H56 O12 -","4","1","","Chen, Kai; Zhang, Shuo-Qing; Brandenberg, Oliver F.; Hong, Xin; Arnold, Frances H.","Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions.","Journal of the American Chemical Society","2018","140","48","16402","16407","10.1021/jacs.8b09613","","","1.54178","CuKα","","0.0261","0.0261","","","0.0678","0.0679","","","","","","1.092","","","","has coordinates","243140","2020-10-21","18:00:00",""
"4133320","6.3854","0.0018","6.702","0.002","25.222","0.005","90","","90","","90","","1079.4","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Chen, Kai; Zhang, Shuo-Qing; Brandenberg, Oliver F.; Hong, Xin; Arnold, Frances H.","Alternate Heme Ligation Steers Activity and Selectivity in Engineered Cytochrome P450-Catalyzed Carbene-Transfer Reactions.","Journal of the American Chemical Society","2018","140","48","16402","16407","10.1021/jacs.8b09613","","","0.71073","MoKα","","0.0262","0.021","","","0.0533","0.0542","","","","","","1.025","","","","has coordinates","243141","2020-10-21","18:00:00",""
"4133334","7.75079","0.00004","17.50986","0.00009","18.79506","0.00009","90","","90","","90","","2550.78","0.02","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 N O3 Si -","- C26 H43 N O3 Si -","- C104 H172 N4 O12 Si4 -","4","1","","Richter, Matthieu J. R.; Schneider, Michael; Brandstätter, Marco; Krautwald, Simon; Carreira, Erick M.","Total Synthesis of (-)-Mitrephorone A.","Journal of the American Chemical Society","2018","140","48","16704","16710","10.1021/jacs.8b09685","","x-ray","1.54184","CuKα","","0.0274","0.0271","","","0.0707","0.071","","","","","","1.042","","","","has coordinates","243155","2020-10-21","18:00:00",""
"4133398","13.4291","0.0006","17.2102","0.0008","23.7226","0.0012","90","","90","","90","","5482.7","0.4","200","1","200","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H56 Cl4 Ge2 N2 O4 Zn -","- C54 H56 Cl4 Ge2 N2 O4 Zn -","- C216 H224 Cl16 Ge8 N8 O16 Zn4 -","4","1","","de la Vega-Hernández, Karen; Romain, Elise; Coffinet, Anais; Bijouard, Kajetan; Gontard, Geoffrey; Chemla, Fabrice; Ferreira, Franck; Jackowski, Olivier; Perez-Luna, Alejandro","Radical Germylzincation of α-Heteroatom-Substituted Alkynes.","Journal of the American Chemical Society","2018","140","50","17632","17642","10.1021/jacs.8b09851","","","1.54178","CuKα","","0.0776","0.0628","","","0.1609","0.1732","","","","","","1.04","","","","has coordinates,has disorder","243195","2020-10-21","18:00:00",""
"4133407","7.6112","0.0002","9.4733","0.0002","32.0728","0.0009","90","","90","","90","","2312.55","0.1","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Br2 I O3 S -","- C24 H15 Br2 I O3 S -","- C96 H60 Br8 I4 O12 S4 -","4","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0443","0.0338","","","0.0583","0.0621","","","","","","1.04","","","","has coordinates","243204","2020-10-21","18:00:00",""
"4133408","9.5781","0.0003","12.2304","0.0004","23.1878","0.0008","90","","90","","90","","2716.31","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Br2 I O3 S -","- C24 H15 Br2 I O3 S -","- C96 H60 Br8 I4 O12 S4 -","4","1","","Tan, Yu; Jia, Shiqi; Hu, Fangli; Liu, Yidong; Peng, Lei; Li, Dongmei; Yan, Hailong","Enantioselective Construction of Vicinal Diaxial Styrenes and Multiaxis System via Organocatalysis.","Journal of the American Chemical Society","2018","140","49","16893","16898","10.1021/jacs.8b09893","","","0.71073","MoKα","","0.0688","0.0462","","","0.0915","0.1002","","","","","","0.996","","","","has coordinates","243205","2020-10-21","18:00:00",""
"4133425","7.9555","0.0007","16.5243","0.0015","21.253","0.002","90","","90","","90","","2793.9","0.4","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Br Cl N O4 Si -","- C25 H37 Br Cl N O4 Si -","- C100 H148 Br4 Cl4 N4 O16 Si4 -","4","1","","Godfrey, Nicole A.; Schatz, Devon J.; Pronin, Sergey V.","Twelve-Step Asymmetric Synthesis of (-)-Nodulisporic Acid C.","Journal of the American Chemical Society","2018","140","40","12770","12774","10.1021/jacs.8b09965","","","0.71073","MoKα","","0.0799","0.0734","","","0.1781","0.1815","","","","","","1.076","","","","has coordinates","243218","2020-10-21","18:00:00",""
"4133432","6.3241","0.0004","8.6365","0.0005","41.542","0.002","90","","90","","90","","2268.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br5 O2 -","- C22 H17 Br5 O2 -","- C88 H68 Br20 O8 -","4","1","","Wiest, Johannes M.; Conner, Michael L.; Brown, M. Kevin","Allenoates in Enantioselective [2+2] Cycloadditions: From a Mechanistic Curiosity to a Stereospecific Transformation.","Journal of the American Chemical Society","2018","140","46","15943","15949","10.1021/jacs.8b10008","","","0.71073","MoKα","","0.0467","0.0338","","","0.0612","0.0643","","","","","","0.999","","","","has coordinates","243222","2020-10-21","18:00:00",""
"4133433","5.766","0.0005","17.9957","0.0014","21.5234","0.0015","90","","90","","90","","2233.3","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C104 H112 O16 -","8","2","","Wiest, Johannes M.; Conner, Michael L.; Brown, M. Kevin","Allenoates in Enantioselective [2+2] Cycloadditions: From a Mechanistic Curiosity to a Stereospecific Transformation.","Journal of the American Chemical Society","2018","140","46","15943","15949","10.1021/jacs.8b10008","","","1.54178","CuKα","","0.0411","0.0368","","","0.0908","0.0936","","","","","","1.068","","","","has coordinates","243223","2020-10-21","18:00:00",""
"4133467","9.559","0.0004","16.4554","0.0009","20.1613","0.001","90","","90","","90","","3171.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","KRA-05-1-5","","","- C16 H20 Cl O2 P -","- C16 H20 Cl O2 P -","- C128 H160 Cl8 O16 P8 -","8","2","","Siebert, Max; Seibicke, Max; Siegle, Alexander F.; Kräh, Sabrina; Trapp, Oliver","Selective Ruthenium-Catalyzed Transformation of Carbon Dioxide: An Alternative Approach toward Formaldehyde.","Journal of the American Chemical Society","2019","141","1","334","341","10.1021/jacs.8b10233","","","0.71073","MoKα","","0.0543","0.0432","","","0.1003","0.1072","","","","","","1.059","","","","has coordinates,has disorder","243239","2020-10-21","18:00:00",""
"4133484","9.52","0.0002","13.4283","0.0004","20.6016","0.0006","90","","90","","90","","2633.66","0.12","100","","99.98","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-((1S,2S)-1-(2,6-dimethylphenyl)-4-phenyl-2-(phenylthio)butyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane","","- C30 H37 B O2 S -","- C30 H37 B O2 S -","- C120 H148 B4 O8 S4 -","4","1","","Tao, Zhonglin; Robb, Kevin A.; Panger, Jesse L.; Denmark, Scott E.","Enantioselective, Lewis Base-Catalyzed Carbosulfenylation of Alkenylboronates by 1,2-Boronate Migration.","Journal of the American Chemical Society","2018","140","46","15621","15625","10.1021/jacs.8b10288","","","0.71073","MoKα","","0.0337","0.0306","","","0.0715","0.0733","","","","","","1.0408","","","","has coordinates","243253","2020-10-21","18:00:00",""
"4133507","5.7714","0.0002","7.3205","0.0002","22.5971","0.0007","90","","90","","90","","954.72","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl N -","- C11 H12 Cl N -","- C44 H48 Cl4 N4 -","4","1","","Farndon, Joshua J.; Young, Tom A.; Bower, John F.","Stereospecific Alkene Aziridination Using a Bifunctional Amino-Reagent: An Aza-Prilezhaev Reaction.","Journal of the American Chemical Society","2018","140","51","17846","17850","10.1021/jacs.8b10485","","","0.71073","MoKα","","0.0338","0.0287","","","0.0633","0.0653","","","","","","1.053","","","","has coordinates,has disorder","243277","2020-10-21","18:00:00",""
"4133521","10.3115","0.0003","12.0645","0.0003","13.9574","0.0003","90","","90","","90","","1736.34","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","175-B-F2","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","1","","Gerwien, Aaron; Mayer, Peter; Dube, Henry","Photon-Only Molecular Motor with Reverse Temperature-Dependent Efficiency.","Journal of the American Chemical Society","2018","140","48","16442","16445","10.1021/jacs.8b10660","","","0.71073","MoKα","","0.0297","0.0271","","","0.0627","0.0644","","","","","","1.08","","","","has coordinates","243288","2020-10-21","18:00:00",""
"4133525","9.6036","0.0005","47.197","0.002","7.3012","0.0004","90","","90","","90","","3309.4","0.3","170","2","170.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 N2 O4 -","- C38 H42 N2 O4 -","- C152 H168 N8 O16 -","4","1","","Zhang, Hong-Hao; Zhao, Jia-Jia; Yu, Shouyun","Enantioselective Allylic Alkylation with 4-Alkyl-1,4-dihydro-pyridines Enabled by Photoredox/Palladium Cocatalysis.","Journal of the American Chemical Society","2018","140","49","16914","16919","10.1021/jacs.8b10766","","","1.34139","GaKα","","0.1524","0.1359","","","0.3285","0.344","","","","","","1.077","","","","has coordinates,has disorder","243290","2020-10-21","18:00:00",""
"4133531","9.323","0.0004","15.2792","0.0006","15.3454","0.0006","90","","90","","90","","2185.92","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Pizzolato, Stefano F.; Štacko, Peter; Kistemaker, Jos C. M.; van Leeuwen, Thomas; Otten, Edwin; Feringa, Ben L.","Central-to-Helical-to-Axial-to-Central Transfer of Chirality with a Photoresponsive Catalyst.","Journal of the American Chemical Society","2018","140","49","17278","17289","10.1021/jacs.8b10816","","","1.54178","CuKα","","0.0319","0.0299","","","0.071","0.0728","","","","","","1.094","","","","has coordinates","243296","2020-10-21","18:00:00",""
"4133532","15.49","0.005","16.481","0.005","21.309","0.005","90","","90","","90","","5440","3","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H66.5 N8 O35 S6 V5 W -","- C14 H54.5 N7 O39 S7 V5 W -","- C56 H218 N28 O156 S28 V20 W4 -","4","1","","Zhang, Yuteng; Gan, Hongmei; Qin, Chao; Wang, Xinlong; Su, Zhongmin; Zaworotko, Michael J.","Self-Assembly of Goldberg Polyhedra from a Concave [WV<sub>5</sub>O<sub>11</sub>(RCO<sub>2</sub>)<sub>5</sub>(SO<sub>4</sub>)]<sup>3-</sup> Building Block with 5-Fold Symmetry.","Journal of the American Chemical Society","2018","140","50","17365","17368","10.1021/jacs.8b10866","","","0.71069","MoKα","","0.0405","0.0379","","","0.102","0.1037","","","","","","1.122","","","","has coordinates,has disorder","243297","2020-10-21","18:00:00",""
"4133543","6.608","0.0003","9.8783","0.0004","38.8492","0.0014","90","","90","","90","","2535.91","0.18","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 O6 Si -","- C25 H38 O6 Si -","- C100 H152 O24 Si4 -","4","1","","Economou, Christos; Tomanik, Martin; Herzon, Seth B.","Synthesis of Myrocin G, the Putative Active Form of the Myrocin Antitumor Antibiotics.","Journal of the American Chemical Society","2018","140","47","16058","16061","10.1021/jacs.8b10891","","","1.54184","CuKα","","0.0629","0.0499","","","0.1041","0.1108","","","","","","1.088","","","","has coordinates","243300","2020-10-21","18:00:00",""
"4133547","10.3858","0.0004","11.1289","0.0005","17.4363","0.0008","90","","90","","90","","2015.33","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br Cl N2 O3 -","- C20 H16 Br Cl N2 O3 -","- C80 H64 Br4 Cl4 N8 O12 -","4","1","","Xiong, Yang; Du, Zhuanzhuan; Chen, Haohua; Yang, Zhao; Tan, Qiuyuan; Zhang, Changhui; Zhu, Lei; Lan, Yu; Zhang, Min","Well-Designed Phosphine-Urea Ligand for Highly Diastereo- and Enantioselective 1,3-Dipolar Cycloaddition of Methacrylonitrile: A Combined Experimental and Theoretical Study.","Journal of the American Chemical Society","2019","141","2","961","971","10.1021/jacs.8b10939","","","0.71073","MoKα","","0.0832","0.0501","","","0.1056","0.1272","","","","","","1.025","","","","has coordinates","243304","2020-10-21","18:00:00",""
"4133558","5.9083","0.0009","13.523","0.002","21.616","0.003","90","","90","","90","","1727.1","0.4","88","2","88","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 O P -","- C20 H25 O P -","- C80 H100 O4 P4 -","4","1","","Nie, Shao-Zhen; Davison, Ryan T.; Dong, Vy M.","Enantioselective Coupling of Dienes and Phosphine Oxides.","Journal of the American Chemical Society","2018","140","48","16450","16454","10.1021/jacs.8b11150","","","0.71073","MoKα","","0.0253","0.0246","","","0.0671","0.0678","","","","","","1.034","","","","has coordinates","243315","2020-10-21","18:00:00",""
"4133618","14.55","0.0003","24.8696","0.0005","25.0479","0.0005","90","","90","","90","","9063.6","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H50 Cl6 N6 O2 -","- C45 H50 Cl6 N6 O2 -","- C360 H400 Cl48 N48 O16 -","8","2","","Yousefi, Roozbeh; Struble, Thomas J.; Payne, Jenna L.; Vishe, Mahesh; Schley, Nathan D.; Johnston, Jeffrey N.","Catalytic, Enantioselective Synthesis of Cyclic Carbamates from Dialkyl Amines by CO<sub>2</sub>-Capture: Discovery, Development, and Mechanism.","Journal of the American Chemical Society","2019","141","1","618","625","10.1021/jacs.8b11793","","x-ray","1.54184","CuKα","","0.0969","0.0908","","","0.248","0.257","","","","","","1.066","","","","has coordinates","243366","2020-10-21","18:00:00",""
"4133619","7.8606","0.0004","9.1352","0.0004","25.0134","0.0012","90","","90","","90","","1796.17","0.15","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 F3 I N O2 -","- C19 H17 F3 I N O2 -","- C76 H68 F12 I4 N4 O8 -","4","1","","Yousefi, Roozbeh; Struble, Thomas J.; Payne, Jenna L.; Vishe, Mahesh; Schley, Nathan D.; Johnston, Jeffrey N.","Catalytic, Enantioselective Synthesis of Cyclic Carbamates from Dialkyl Amines by CO<sub>2</sub>-Capture: Discovery, Development, and Mechanism.","Journal of the American Chemical Society","2019","141","1","618","625","10.1021/jacs.8b11793","","","0.71073","MoKα","","0.0171","0.017","","","0.0467","0.0468","","","","","","1.19","","","","has coordinates","243367","2020-10-21","18:00:00",""
"4133625","15.6523","0.0002","17.3543","0.0003","18.3413","0.0002","90","","90","","90","","4982.13","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H68 N4 O4 Si2 -","- C51 H68 N4 O4 Si2 -","- C204 H272 N16 O16 Si8 -","4","1","","Wang, Yuwen; Kostenko, Arseni; Hadlington, Terrance J.; Luecke, Marcel-Philip; Yao, Shenglai; Driess, Matthias","Silicon-Mediated Selective Homo- and Heterocoupling of Carbon Monoxide.","Journal of the American Chemical Society","2019","141","1","626","634","10.1021/jacs.8b11899","","","1.54184","CuKα","","0.0606","0.0479","","","0.1167","0.1277","","","","","","1.029","","","","has coordinates,has disorder","243369","2020-10-21","18:00:00",""
"4133641","6.2545","0.0002","13.5393","0.0003","19.2401","0.0005","90","","90","","90","","1629.28","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Wei, Yi; Liu, Song; Li, Miao-Miao; Li, Yi; Lan, Yu; Lu, Liang-Qiu; Xiao, Wen-Jing","Enantioselective Trapping of Pd-Containing 1,5-Dipoles by Photogenerated Ketenes: Access to 7-Membered Lactones Bearing Chiral Quaternary Stereocenters.","Journal of the American Chemical Society","2019","141","1","133","137","10.1021/jacs.8b12095","","","1.54178","CuKα","","0.0324","0.0314","","","0.0821","0.0829","","","","","","1.048","","","","has coordinates","243380","2020-10-21","18:00:00",""
"4133682","9.4966","0.0003","13.7852","0.0005","24.0165","0.0009","90","","90","","90","","3144.06","0.19","100","","100","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H56 Si6 -","- C21 H56 Si6 -","- C84 H224 Si24 -","4","1","","Reiter, Dominik; Holzner, Richard; Porzelt, Amelie; Altmann, Philipp J.; Frisch, Philipp; Inoue, Shigeyoshi","Disilene-Silylene Interconversion: A Synthetically Accessible Acyclic Bis(silyl)silylene.","Journal of the American Chemical Society","2019","141","34","13536","13546","10.1021/jacs.9b05318","","x-ray","0.71073","MoKα","","0.0259","0.0236","","","0.0572","0.0581","","","","","","1.046","","","","has coordinates","243418","2020-10-21","18:00:00",""
"4133739","13.6082","0.0002","15.8839","0.0003","35.5338","0.0006","90","","90","","90","","7680.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C79 H50 Al2 F24 O4 -","- C79 H50 Al2 F24 O4 -","- C316 H200 Al8 F96 O16 -","4","1","","Lebedev, Yury N.; Polishchuk, Iuliia; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus","Asymmetric Hydroboration of Heteroaryl Ketones by Aluminum Catalysis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10364","","","0.71073","MoKα","","0.0889","0.0712","","","0.1918","0.2033","","","","","","1.098","","","","has coordinates,has disorder","243799","2020-10-21","18:00:00",""
"4133740","8.2054","0.0005","22.5851","0.0016","26.1244","0.0015","90","","90","","90","","4841.4","0.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54.5 H39 Al Cl F12 N O4 -","- C54.5 H39 Al Cl F12 N O4 -","- C218 H156 Al4 Cl4 F48 N4 O16 -","4","1","","Lebedev, Yury N.; Polishchuk, Iuliia; Maity, Bholanath; Cavallo, Luigi; Rueping, Magnus","Asymmetric Hydroboration of Heteroaryl Ketones by Aluminum Catalysis.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10364","","","0.71073","MoKα","","0.1562","0.0985","","","0.2511","0.2991","","","","","","1.036","","","","has coordinates,has disorder","243800","2020-10-21","18:00:00",""
"4133748","10.4083","0.0001","11.2812","0.0001","33.5735","0.0002","90","","90","","90","","3942.14","0.06","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 N O P S -","- C48 H54 N O P S -","- C192 H216 N4 O4 P4 S4 -","4","1","","Zhu, Chenghao; Chu, Haoke; Li, Gen; Ma, Shengming; Zhang, Junliang","Pd-Catalyzed Enantioselective Heck Reaction of Aryl Triflates and Alkynes.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b10883","","x-ray","1.54184","CuKα","","0.0258","0.0253","","","0.0622","0.0625","","","","","","1.03","","","","has coordinates","244868","2020-10-21","18:00:00",""
"4133749","6.3651","0.0002","18.5633","0.0007","19.196","0.0008","90","","90","","90","","2268.15","0.15","179.99","0.17","179.99","0.17","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O3 -","- C27 H32 O3 -","- C108 H128 O12 -","4","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.0851","0.0623","","","0.1457","0.1571","","","","","","1.032","","","","has coordinates,has disorder","246546","2020-10-21","18:00:00",""
"4133750","9.9501","0.0001","16.1588","0.0002","17.0386","0.0002","90","","90","","90","","2739.49","0.05","180","0.1","180","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O3 -","- C33 H40 O3 -","- C132 H160 O12 -","4","1","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","1.54184","CuKα","","0.0343","0.0327","","","0.0879","0.0899","","","","","","1.049","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133753","10.7367","0.0004","22.948","0.0006","34.1561","0.001","90","","90","","90","","8415.6","0.5","180","0.1","180","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 O3 -","- C34 H42 O3 -","- C408 H504 O36 -","12","3","","Kong, Lingran; Su, Fan; Yu, Hang; Jiang, Zhe; Lu, Yandong; Luo, Tuoping","Total Synthesis of (-)-Oridonin: An Interrupted Nazarov Approach.","Journal of the American Chemical Society","2019","141","51","20048","20052","10.1021/jacs.9b12034","","x-ray","0.71073","MoKα","","0.0711","0.0476","","","0.1143","0.1252","","","","","","1.012","","","","has coordinates","246546","2020-10-21","18:00:00",""
"4133787","10.8626","0.0002","16.8834","0.0004","33.3909","0.0007","90","","90","","90","","6123.8","0.2","180","0.1","180","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H93 K N5 O7 Sc Si -","- C57 H93 K N5 O7 Sc Si -","- C228 H372 K4 N20 O28 Sc4 Si4 -","4","1","","Lv, Ze-Jie; Huang, Zhe; Shen, Jinghang; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-Defined Scandacyclopropenes: Synthesis, Structure, and Reactivity.","Journal of the American Chemical Society","2019","141","51","20547","20555","10.1021/jacs.9b11631","","x-ray","0.71073","MoKα","","0.0403","0.0348","","","0.0812","0.0835","","","","","","1.018","","","","has coordinates","246547","2020-10-21","18:00:00",""
"4133797","10.791","0.0003","20.3109","0.0008","26.9659","0.0009","90","","90","","90","","5910.2","0.3","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 F O5 -","- C29 H39 F O5 -","- C232 H312 F8 O40 -","8","2","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","","0.71073","MoKα","","0.1077","0.0771","","","0.2062","0.2259","","","","","","1.032","","","","has coordinates","245280","2020-10-21","18:00:00",""
"4133799","9.3439","0.0002","11.9039","0.0003","23.5267","0.0006","90","","90","","90","","2616.85","0.11","179.97","0.14","179.97","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 O9 -","- C29 H40 O9 -","- C116 H160 O36 -","4","1","","Jiang, Yan-Long; Yu, Hai-Xin; Li, Yong; Qu, Pei; Han, Yi-Xin; Chen, Jia-Hua; Yang, Zhen","Asymmetric Total Synthesis of Pre-schisanartanin C.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b11872","","","0.71073","MoKα","","0.046","0.0389","","","0.0983","0.1016","","","","","","1.036","","","","has coordinates","245282","2020-10-21","18:00:00",""
"4133871","11.238","","11.741","","18.649","","90","","90","","90","","2460.65","","100","2","100.04","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 O3 -","- C28 H42 O3 -","- C112 H168 O12 -","4","1","","Duecker, Fenja L.; Heinze, Robert C.; Heretsch, Philipp","Synthesis of Swinhoeisterol A, Dankasterone A and B, and Periconiastone A by Radical Framework Reconstruction.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b12899","","","0.71073","MoKα","","0.0563","0.0537","","","0.1233","0.1244","","","","","","1.14","","","","has coordinates","246274","2020-10-21","18:00:00",""
"4133895","9.1845","0.0002","11.3146","0.0002","12.5358","0.0003","90","","90","","90","","1302.71","0.05","100","2","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Yee, Danielle A.; Kakule, Thomas B.; Cheng, Wei; Chen, Mengbin; Chong, Christine T. Y.; Hai, Yang; Hang, Leibniz F.; Hung, Yiu-Sun; Liu, Nicholas; Ohashi, Masao; Okorafor, Ikechukwu C.; Song, Yongxiang; Tang, ManCheng; Zhang, Zhuan; Tang, Yi","Genome Mining of Alkaloidal Terpenoids from a Hybrid Terpene and Nonribosomal Peptide Biosynthetic Pathway.","Journal of the American Chemical Society","2019","","","","","10.1021/jacs.9b13046","","","1.54178","CuKα","","0.0297","0.0291","","","0.0743","0.0748","","","","","","1.051","","","","has coordinates","246482","2020-10-21","18:00:00",""
"4133903","6.6591","0.0003","7.0377","0.0003","41.661","0.0016","90","","90","","90","","1952.43","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F2 N O4 Si -","- C19 H19 F2 N O4 Si -","- C76 H76 F8 N4 O16 Si4 -","4","1","","Paioti, Paulo H. S.; Del Pozo, Juan; Mikus, Malte S.; Lee, Jaehee; Koh, Ming Joo; Romiti, Filippo; Torker, Sebastian; Hoveyda, Amir H.","Catalytic Enantioselective Boryl and Silyl Substitution with Trifluoromethyl Alkenes: Scope, Utility, and Mechanistic Nuances of Cu-F β-Elimination.","Journal of the American Chemical Society","2019","141","50","19917","19934","10.1021/jacs.9b11382","","","1.54178","CuKα","","0.0422","0.0388","","","0.1","0.1025","","","","","","1.047","","","","has coordinates","246499","2020-10-21","18:00:00",""
"4133926","10.1479","0.0002","10.5387","0.0003","31.4024","0.0007","90","","90","","90","","3358.35","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 B O2 -","- C20 H21 B O2 -","- C160 H168 B8 O16 -","8","2","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0667","0.0644","","","0.1352","0.1366","","","","","","1.086","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133929","9.4792","0.0002","11.0501","0.0002","13.2369","0.0003","90","","90","","90","","1386.51","0.05","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 B O2 S -","- C13 H19 B O2 S -","- C52 H76 B4 O8 S4 -","4","1","","Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.","Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.","Journal of the American Chemical Society","2020","142","3","1603","1613","10.1021/jacs.9b12519","","x-ray","0.71073","MoKα","","0.0254","0.0252","","","0.0665","0.0667","","","","","","1.015","","","","has coordinates","247535","2020-10-21","18:00:00",""
"4133986","8.8504","0.0009","15.0485","0.0013","15.7936","0.0014","90","","90","","90","","2103.5","0.3","100","2","100.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl N2 O4 -","- C22 H31 Cl N2 O4 -","- C88 H124 Cl4 N8 O16 -","4","1","","Miller, Eric R.; Hovey, M. Todd; Scheidt, Karl A.","A Concise, Enantioselective Approach for the Synthesis of Yohimbine Alkaloids.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12319","","","0.71073","MoKα","","0.0817","0.0513","","","0.1132","0.1268","","","","","","1.038","","","","has coordinates","247122","2020-10-21","18:00:00",""
"4133998","8.2839","0.0012","15.462","0.002","17.793","0.003","90","","90","","90","","2279","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O2 -","- C28 H29 N O2 -","- C112 H116 N4 O8 -","4","1","","Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M","Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12858","","","1.54178","CuKα","","0.0328","0.0323","","","0.1126","0.1131","","","","","","0.934","","","","has coordinates","247134","2020-10-21","18:00:00",""
"4133999","9.6828","0.0004","11.6682","0.0005","16.747","0.0007","90","","90","","90","","1892.09","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Romero-Arenas, Antonio; Hornillos, Valentín; Iglesias-Sigüenza, Javier; Fernández, Rosario; López-Serrano, Joaquín; Ros, Abel; Lassaletta, José M","Ir-Catalyzed Atroposelective Desymmetrization of Heterobiaryls: Hydroarylation of Vinyl Ethers and Bicycloalkenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12858","","","1.54178","CuKα","","0.0394","0.0379","","","0.1099","0.1124","","","","","","0.855","","","","has coordinates","247135","2020-10-21","18:00:00",""
"4134002","5.8422","0.0001","9.8585","0.0002","31.3192","0.0006","90","","90","","90","","1803.84","0.06","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O -","- C20 H24 Br N O -","- C80 H96 Br4 N4 O4 -","4","1","","Green, Jacob C.; Zanghi, Joseph M.; Meek, Simon J.","Diastereo- and Enantioselective Synthesis of Homoallylic Amines Bearing Quaternary Carbon Centers.","Journal of the American Chemical Society","2020","142","4","1704","1709","10.1021/jacs.9b11529","","","1.54178","CuKα","","0.0209","0.0201","","0.047","0.0467","0.047","","","","","","1.0015","","","","has coordinates","247526","2020-10-21","18:00:00",""
"4134040","6.3624","0.0003","10.6132","0.0004","25.6176","0.0011","90","","90","","90","","1729.84","0.13","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 F3 N O -","- C18 H26 F3 N O -","- C72 H104 F12 N4 O4 -","4","1","","Yao, Chengbo; Wang, Shuai; Norton, Jack R.; Hammond, Matthew","Catalyzing the Hydrodefluorination of CF3-substituted Alkenes by PhSiH3. H• Transfer from a Nickel Hydride.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13757","","","0.71073","MoKα","","0.0541","0.0414","","","0.0981","0.1069","","","","","","1.029","","","","has coordinates","247227","2020-10-21","18:00:00",""
"4134057","7.41462","0.00009","10.40955","0.00011","20.8084","0.0002","90","","90","","90","","1606.05","0.03","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N3 O -","- C20 H17 N3 O -","- C80 H68 N12 O4 -","4","1","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0272","0.0272","","","0.0781","0.0782","","","","","","1.094","","","","has coordinates","247291","2020-10-21","18:00:00",""
"4134058","7.90611","0.00007","11.94278","0.0001","20.962","0.0002","90","","90","","90","","1979.25","0.03","139.99","0.1","139.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O -","- C26 H21 N3 O -","- C104 H84 N12 O4 -","4","1","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0294","0.029","","","0.0751","0.0756","","","","","","1.065","","","","has coordinates","247292","2020-10-21","18:00:00",""
"4134059","9.6294","0.00004","16.20428","0.00008","16.44875","0.00009","90","","90","","90","","2566.62","0.02","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 N6 O2 -","- C30 H26 N6 O2 -","- C120 H104 N24 O8 -","4","1","","Nguyen, Qui-Hien; Guo, Shu-Min; Royal, Titouan; Baudoin, Olivier; Cramer, Nicolai","Intermolecular Palladium(0)-Catalyzed Atropo-enantioselective C-H Arylation of Heteroarenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b12299","","x-ray","1.54184","CuKα","","0.0247","0.0245","","","0.0658","0.0659","","","","","","1.038","","","","has coordinates","247293","2020-10-21","18:00:00",""
"4134075","8.8797","0.0003","11.8527","0.0004","14.9997","0.0005","90","","90","","90","","1578.69","0.09","179.99","0.1","179.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Wang, Jin; Hong, Benke; Hu, Dachao; Kadonaga, Yuichiro; Tang, Ruyao; Lei, Xiaoguang","Protecting-Group-Free Syntheses of <i>ent</i>-Kaurane Diterpenoids: [3+2+1] Cycloaddition/Cycloalkenylation Approach.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13722","","x-ray","0.71073","MoKα","","0.0392","0.0352","","","0.0939","0.096","","","","","","1.033","","","","has coordinates","247309","2020-10-21","18:00:00",""
"4134084","11.8509","0.0003","12.0635","0.0004","17.8749","0.0005","90","","90","","90","","2555.46","0.13","200","2","199.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N3 O8 U -","- C25 H31 N3 O8 U -","- C100 H124 N12 O32 U4 -","4","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0322","0.0298","","","0.07","0.0711","","","","","","1.043","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134085","12.9299","0.0006","13.2222","0.0006","18.4887","0.0009","90","","90","","90","","3160.9","0.3","200","2","199.99","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 F3 K N3 O11 S U -","- C26 H31 F3 K N3 O11 S U -","- C104 H124 F12 K4 N12 O44 S4 U4 -","4","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.04","0.0357","","","0.0953","0.099","","","","","","1.088","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134086","12.9352","0.0002","13.2651","0.0002","18.4739","0.0003","90","","90","","90","","3169.88","0.09","200","2","199.99","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 F3 N3 Na O11 S U -","- C26 H31 F3 N3 Na O11 S U -","- C104 H124 F12 N12 Na4 O44 S4 U4 -","4","1","","Kumar, Amit; Lionetti, Davide; Day, Victor; Blakemore, James D.","Redox-Inactive Metal Cations Modulate the Reduction Potential of the Uranyl Ion in Macrocyclic Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11903","","","1.54178","CuKα","","0.0296","0.0272","","","0.0643","0.0658","","","","","","1.095","","","","has coordinates,has disorder","247350","2020-10-21","18:00:00",""
"4134113","12.1203","0.0004","20.8051","0.0008","21.0967","0.0007","90","","90","","90","","5319.8","0.3","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C73 H58 Cl2 -","- C73 H58 Cl2 -","- C292 H232 Cl8 -","4","1","","Li, Yuanming; Yagi, Akiko; Itami, Kenichiro","Synthesis of Highly Twisted, Nonplanar Aromatic Macrocycles Enabled by Axially Chiral 4,5-Diphenylphenanthrene Building Block.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13549","","","0.71073","MoKα","","0.0821","0.0727","","","0.1937","0.1991","","","","","","1.036","","","","has coordinates,has disorder","247491","2020-10-21","18:00:00",""
"4134146","9.7818","0.0003","13.9735","0.0004","33.9579","0.0009","90","","90","","90","","4641.6","0.2","169.98","0.1","169.98","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","(4-F-C6H4)Pd(PCy3)2(SO2C6H4Me)","","","- C47.95 H75.95 Br0.15 F O1.7 P2 Pd S0.85 -","- C47.95 H75.95 Br0.15 F O1.7 P2 Pd S0.85 -","- C191.8 H303.8 Br0.6 F4 O6.8 P8 Pd4 S3.4 -","4","1","","de Gombert, Antoine; McKay, Alasdair I.; Davis, Christopher J.; Wheelhouse, Katherine M.; Willis, Michael C.","Mechanistic Studies of the Palladium-Catalyzed Desulfinative Cross-Coupling of Aryl Bromides and (Hetero)Aryl Sulfinate Salts.","Journal of the American Chemical Society","2020","142","7","3564","3576","10.1021/jacs.9b13260","","x-ray","0.71073","MoKα","","0.055","0.0468","","","0.0989","0.102","","","","","","1.108","","","","has coordinates,has disorder","248712","2020-10-21","18:00:00",""
"4134182","10.8015","0.0002","17.679","0.0003","19.6851","0.0014","90","","90","","90","","3759.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H34 Au Cl O5 P2 -","- C41 H34 Au Cl O5 P2 -","- C164 H136 Au4 Cl4 O20 P8 -","4","1","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","","1.54187","CuKα","","0.0386","0.0362","","","0.0839","0.0869","","","","","","1.082","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134183","11.26267","0.00018","19.0781","0.0004","31.7278","0.0006","90","","90","","90","","6817.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H25 Au Cl2 O3 P2 -","- C38 H25 Au Cl2 O3 P2 -","- C304 H200 Au8 Cl16 O24 P16 -","8","2","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","x-ray","0.71073","MoKα","","0.0661","0.0437","","","0.0874","0.0927","","","","","","1.045","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134184","6.6896","0.0003","8.6995","0.0003","28.863","0.002","90","","90","","90","","1679.72","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier","Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.","Journal of the American Chemical Society","2020","142","8","3797","3805","10.1021/jacs.9b11154","","","1.54187","CuKα","","0.0326","0.0297","","","0.0747","0.0789","","","","","","1.075","","","","has coordinates","248702","2020-10-21","18:00:00",""
"4134185","8.2617","0.0002","10.119","0.0003","19.4887","0.0005","90","","90","","90","","1629.26","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.0404","0.0372","","","0.0967","0.1003","","","","","","1.026","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134187","10.2109","0.0002","13.271","0.0002","14.7561","0.0002","90","","90","","90","","1999.58","0.06","180","0.2","180","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Br O5 -","- C22 H27 Br O5 -","- C88 H108 Br4 O20 -","4","1","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","0.71073","MoKα","","0.0294","0.0266","","","0.0682","0.0696","","","","","","1.05","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134189","7.2201","0.0003","16.362","0.0009","34.0093","0.0018","90","","90","","90","","4017.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O5 -","- C22 H28 O5 -","- C176 H224 O40 -","8","2","","Guo, Yinliang; Guo, Zhixian; Lu, Jia-Tian; Fang, Runting; Chen, Si-Cong; Luo, Tuoping","Total Synthesis of (-)-Batrachotoxinin A: A Local-Desymmetrization Approach.","Journal of the American Chemical Society","2020","142","8","3675","3679","10.1021/jacs.9b12882","","x-ray","1.54184","CuKα","","0.072","0.0421","","","0.0857","0.093","","","","","","1.052","","","","has coordinates","248704","2020-10-21","18:00:00",""
"4134194","8.4588","0.0011","14.545","0.002","20.429","0.003","90","","90","","90","","2513.4","0.6","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O2 S -","- C30 H27 N O2 S -","- C120 H108 N4 O8 S4 -","4","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0492","0.0405","","","0.0918","0.0967","","","","","","1.046","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134195","8.6108","0.0009","16.6846","0.0017","17.8727","0.0019","90","","90","","90","","2567.7","0.5","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O3 S -","- C27 H30 N2 O3 S -","- C108 H120 N8 O12 S4 -","4","1","","Kondoh, Azusa; Ishikawa, Sho; Terada, Masahiro","Development of Chiral Ureates as Chiral Strong Brønsted Base Catalysts.","Journal of the American Chemical Society","2020","142","8","3724","3728","10.1021/jacs.9b13922","","","0.71075","MoKα","","0.0449","0.0388","","","0.0886","0.0914","","","","","","1.07","","","","has coordinates","248707","2020-10-21","18:00:00",""
"4134218","8.6617","0.0001","21.2088","0.0001","22.7976","0.0001","90","","90","","90","","4188.02","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H59 Fe N4 O2 Y -","- C43 H59 Fe N4 O2 Y -","- C172 H236 Fe4 N16 O8 Y4 -","4","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","1.54184","CuKα","","0.0269","0.026","","","0.0669","0.0677","","","","","","0.998","","","","has coordinates,has disorder","248339","2020-10-21","18:00:00",""
"4134221","8.6849","0.0002","21.2561","0.0003","22.8285","0.0004","90","","90","","90","","4214.3","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H59 Fe Gd N4 O2 -","- C43 H59 Fe Gd N4 O2 -","- C172 H236 Fe4 Gd4 N16 O8 -","4","1","","Bar, Arun K.; Heras Ojea, María José; Tang, Jinkui; Layfield, Richard A.","Coupling of Nitric Oxide and Release of Nitrous Oxide from Rare-Earth-Dinitrosyliron Complexes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13571","","","1.54184","CuKα","","0.0427","0.0381","","","0.1151","0.1216","","","","","","0.932","","","","has coordinates,has disorder","248342","2020-10-21","18:00:00",""
"4134261","7.9993","0.0012","12.0989","0.0017","16.417","0.002","90","","90","","90","","1588.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 O2 -","- C18 H28 O2 -","- C72 H112 O8 -","4","1","","Deng, Jiachen; Ning, Yuhan; Tian, Hailong; Gui, Jinghan","Divergent Synthesis of Antiviral Diterpenes Wickerols A and B.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b11838","","","0.71073","MoKα","","0.0689","0.0511","","","0.1093","0.1228","","","","","","1.031","","","","has coordinates","248498","2020-10-21","18:00:00",""
"4134283","15.5578","0.0001","18.7553","0.0001","43.8495","0.0003","90","","90","","90","","12794.9","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132.001 H176.002 Br2.0004 O13.0002 -","- C528.003 H704.006 Br8.0016 O52.0008 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0601","0.0536","","","0.1493","0.1554","","","","","","1.034","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134284","15.5918","0.0001","18.7392","0.0001","43.8114","0.0002","90","","90","","90","","12800.7","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Cl2 O13 -","- C132 H176 Cl2 O13 -","- C528 H704 Cl8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0542","0.0506","","","0.1463","0.1504","","","","","","1.028","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134285","15.5129","0.0004","18.7006","0.0006","44.5116","0.0019","90","","90","","90","","12912.8","0.8","100","0.01","100","0.01","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C135 H184 O13 -","- C135 H184 O13 -","- C540 H736 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.1758","0.127","","","0.3005","0.3375","","","","","","1.068","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134286","15.6034","0.0001","18.747","0.0002","43.6221","0.0004","90","","90","","90","","12760.2","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C129.98 H171.96 Cl0.99 O12.5 -","- C129.98 H171.96 Cl0.99 O12.495 -","- C519.92 H687.84 Cl3.96 O49.98 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0837","0.0713","","","0.1983","0.2112","","","","","","1.036","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134287","15.6135","0.0001","18.7515","0.0001","43.6512","0.0002","90","","90","","90","","12780","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Cl2 O13 -","- C132 H176 Cl2 O13 -","- C528 H704 Cl8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0757","0.0718","","","0.2119","0.2171","","","","","","1.028","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134288","43.9914","0.0003","18.7402","0.0001","15.6122","0.0001","90","","90","","90","","12870.8","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0933","0.0902","","","0.2706","0.2754","","","","","","1.286","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134289","43.9781","0.0005","18.7317","0.0002","15.60869","0.00016","90","","90","","90","","12858.2","0.2","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132 H176 Br2 O13 -","- C528 H704 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.089","0.0819","","","0.2392","0.2469","","","","","","1.022","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134290","15.5569","0.0001","18.739","0.0001","43.9862","0.0003","90","","90","","90","","12822.9","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.76 H173.51 Cl1.38 O12.69 -","- C130.756 H173.512 Cl1.378 O12.689 -","- C523.024 H694.048 Cl5.512 O50.756 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0686","0.0625","","","0.1783","0.1853","","","","","","1.031","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134291","15.6058","0.0001","18.7366","0.0001","43.8709","0.0003","90","","90","","90","","12827.8","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C132 H176 Br2 O13 -","- C132 H176 Br2 O13 -","- C528 H704 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0865","0.0821","","","0.2409","0.2481","","","","","","1.036","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134292","15.6092","0.0001","18.736","0.0001","44.0628","0.0003","90","","90","","90","","12886.3","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0679","0.0653","","","0.1875","0.1912","","","","","","1.024","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134293","15.5652","0.0001","18.7578","0.0001","43.9214","0.0003","90","","90","","90","","12823.7","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.65 H173.29 Br1.32 O12.66 -","- C130.644 H173.288 Br1.322 O12.661 -","- C522.576 H693.152 Br5.288 O50.644 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0963","0.089","","","0.256","0.2664","","","","","","1.022","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134294","44.1945","0.0002","18.7815","0.0001","15.5563","0.0001","90","","90","","90","","12912.3","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.057","0.0528","","","0.1485","0.1522","","","","","","1.024","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134295","15.4103","0.0001","18.6023","0.0001","44.9029","0.0002","90","","90","","90","","12872.2","0.12","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C134 H182 O13 -","- C134 H182 O13 -","- C536 H728 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0381","0.0366","","","0.0997","0.1011","","","","","","1.065","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134296","15.5483","0.0001","18.7836","0.0001","44.2547","0.0003","90","","90","","90","","12924.7","0.14","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133 H178 Br2 O13 -","- C133 H178 Br2 O13 -","- C532 H712 Br8 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0647","0.0515","","","0.1339","0.1432","","","","","","1.027","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134297","15.6234","0.0001","18.7658","0.0001","43.5913","0.0002","90","","90","","90","","12780.3","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C130.13 H172.26 Br1.07 O12.53 -","- C130.128 H172.256 Br1.064 O12.532 -","- C520.512 H689.024 Br4.256 O50.128 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.077","0.0733","","","0.2104","0.2149","","","","","","1.025","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134298","15.5193","0.0001","18.6716","0.0001","44.6387","0.0006","90","","90","","90","","12935","0.2","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C135 H184 O13 -","- C135 H184 O13 -","- C540 H736 O52 -","4","1","","Gropp, Cornelius; Fischer, Stefan; Husch, Tamara; Trapp, Nils; Carreira, Erick M.; Diederich, François","Molecular Recognition and Cocrystallization of Methylated and Halogenated Fragments of Danicalipin A by Enantiopure Alleno-Acetylenic Cage Receptors.","Journal of the American Chemical Society","2020","142","10","4749","4755","10.1021/jacs.9b13217","","x-ray","1.54184","CuKα","","0.0668","0.0525","","","0.1366","0.1473","","","","","","1.032","","","","has coordinates,has disorder","250050","2020-10-21","18:00:00",""
"4134310","10.173","0.0005","17.9914","0.0009","20.5132","0.0011","90","","90","","90","","3754.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H62 Co O4 P2 -","- C36 H62 Co O4 P2 -","- C144 H248 Co4 O16 P8 -","4","1","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.0728","0.0444","","","0.0804","0.0891","","","","","","1.05","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134311","10.4017","0.0004","16.9632","0.0005","33.2921","0.001","90","","90","","90","","5874.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 Co O4 P2 -","- C26 H46 Co O4 P2 -","- C208 H368 Co8 O32 P16 -","8","2","","Zhong, Hongyu; Shevlin, Michael; Chirik, Paul J.","Cobalt-Catalyzed Asymmetric Hydrogenation of α, β-Unsaturated Carboxylic Acids by Homolytic H2 Cleavage.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13876","","","0.71073","MoKα","","0.0563","0.0416","","","0.0813","0.0958","","","","","","1.128","","","","has coordinates","248657","2020-10-21","18:00:00",""
"4134348","8.0722","0.0004","11.6849","0.0005","19.3159","0.0009","90","","90","","90","","1821.93","0.15","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","KMK-20190730","","","- C23 H21 B N2 O -","- C23 H21 B N2 O -","- C92 H84 B4 N8 O4 -","4","1","","Shirbhate, Mukesh Eknath; Kwon, Seongyeon; Song, Ayoung; Kim, Seungha; Kim, Dayeh; Huang, Haofei; Kim, Youngmee; Lee, Hanna; Kim, Sung-Jin; Baik, Mu-Hyun; Yoon, Juyoung; Kim, Kwan Mook","Optical and Fluorescent Dual Sensing of Aminoalcohols by in situ Generation of BODIPY-like Chromophore.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13232","","","0.71073","MoKα","","0.0643","0.041","","","0.0849","0.0958","","","","","","1.039","","","","has coordinates","249090","2020-10-21","18:00:00",""
"4134365","5.7822","0.0005","14.207","0.0011","26.733","0.002","90","","90","","90","","2196.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O6 -","- C24 H34 O6 -","- C96 H136 O24 -","4","1","","Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan","Bioinspired Synthesis of Nortriterpenoid Propindilactone G.","Journal of the American Chemical Society","2020","142","11","5007","5012","10.1021/jacs.0c00363","","","1.54178","CuKα","","0.093","0.0805","","","0.2093","0.227","","","","","","1.037","","","","has coordinates","250072","2020-10-21","18:00:00",""
"4134366","6.221","0.0004","18.4005","0.0011","20.3992","0.0015","90","","90","","90","","2335.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O7 -","- C24 H38 O7 -","- C96 H152 O28 -","4","1","","Wang, Yu; Chen, Bo; He, Xubiao; Gui, Jinghan","Bioinspired Synthesis of Nortriterpenoid Propindilactone G.","Journal of the American Chemical Society","2020","142","11","5007","5012","10.1021/jacs.0c00363","","","1.54178","CuKα","","0.1384","0.0667","","","0.1709","0.2302","","","","","","1.044","","","","has coordinates","250072","2020-10-21","18:00:00",""
"4134414","9.8755","0.0007","11.4069","0.0005","16.8121","0.001","90","","90","","90","","1893.86","0.19","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 F5 O P S3 -","- C16 H16 F5 O P S3 -","- C64 H64 F20 O4 P4 S12 -","4","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","0.71073","MoKα","","0.028","0.0247","","","0.0576","0.0594","","","","","","1.039","","","","has coordinates","249399","2020-10-21","18:00:00",""
"4134417","8.3898","0.0001","11.6997","0.0001","14.1048","0.0002","90","","90","","90","","1384.5","0.03","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 O2 P S -","- C14 H15 O2 P S -","- C56 H60 O8 P4 S4 -","4","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","1.54178","CuKα","","0.0212","0.021","","","0.0584","0.0586","","","","","","1.108","","","","has coordinates","249402","2020-10-21","18:00:00",""
"4134418","10.5002","0.0001","10.5759","0.0001","15.1419","0.0002","90","","90","","90","","1681.49","0.03","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 O P S2 -","- C16 H21 O P S2 -","- C64 H84 O4 P4 S8 -","4","1","","Xu, Dongmin; Rivas-Bascón, Nazaret; M Padial, Natalia; Knouse, Kyle W.; Zheng, Bin; Vantourout, Julien C.; Schmidt, Michael A.; Eastgate, Martin D.; Baran, Phil S.","Enantiodivergent Formation of C-P Bonds: Synthesis of P-Chiral Phosphines and Methyl-phosphonate Oligonucleotides.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13898","","x-ray","1.54178","CuKα","","0.02","0.0199","","","0.0531","0.0532","","","","","","1.073","","","","has coordinates","249403","2020-10-21","18:00:00",""
"4134424","8.465","0.0019","11.3157","0.0018","23.879","0.005","90","","90","","90","","2287.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 B F6 N2 O2 -","- C23 H23 B F6 N2 O2 -","- C92 H92 B4 F24 N8 O8 -","4","1","","Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger","Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.","Journal of the American Chemical Society","2020","142","12","5562","5567","10.1021/jacs.0c02306","","","0.71073","MoKα","","0.0302","0.0257","","","0.0638","0.0651","","","","","","1.034","","","","has coordinates,has disorder","250077","2020-10-21","18:00:00",""
"4134441","7.78","0.0001","8.1061","0.0001","29.6389","0.0005","90","","90","","90","","1869.19","0.05","173","2","172.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N6 O10 -","- C14 H24 N6 O10 -","- C56 H96 N24 O40 -","4","1","","Wang, Fei; Zhang, Wen-He; Zhao, Juan; Kang, Wen-Jia; Wang, Shengyang; Yu, Biao; Pan, Hai-Xue; Tang, Gong-Li","Characterization of Miharamycin Biosynthesis Reveals a Hybrid NRPS-PKS to Synthesize High-Carbon Sugar from a Complex Nucleoside.","Journal of the American Chemical Society","2020","142","13","5996","6000","10.1021/jacs.0c01778","","","1.34139","GaKα","","0.0288","0.0283","","","0.0747","0.0752","","","","","","1.063","","","","has coordinates","250057","2020-10-21","18:00:00",""
"4134446","9.74368","0.00015","18.5497","0.0003","26.3997","0.0005","90","","90","","90","","4771.54","0.14","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H56 B3 N3 O5 -","- C55 H56 B3 N3 O5 -","- C220 H224 B12 N12 O20 -","4","1","","Suresh, Subeesh Madayanad; Duda, Eimantas; Hall, David; Yao, Zhen; Bagnich, Sergey; Slawin, Alexandra M. Z.; Bässler, Heinz; Beljonne, David; Buck, Manfred; Olivier, Yoann; Köhler, Anna; Zysman-Colman, Eli","A Deep Blue B,N-Doped Heptacene Emitter That Shows Both Thermally Activated Delayed Fluorescence and Delayed Fluores-cence by Triplet Triplet Annihilation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13704","","","1.54184","CuKα","","0.0455","0.0391","","","0.1019","0.106","","","","","","1.024","","","","has coordinates","249501","2020-10-21","18:00:00",""
"4134459","9.6828","0.0008","18.9012","0.0019","20.5148","0.0015","90","","90","","90","","3754.5","0.6","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18.5 Br I N O -","- C18 H19 Br I N O -","- C144 H152 Br8 I8 N8 O8 -","8","2","","Tian, Junsong; Luo, Fan; Zhang, Qifeng; Liang, Yuchen; Li, Dongyang; Zhan, Yaling; Kong, Lichun; Wang, Zhi-Xiang; Peng, Bo","Asymmetric Iodonio-[3,3]-Sigmatropic Rearrangement to Access Chiral α-Aryl Carbonyl Compounds.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00783","","","0.71073","MoKα","","0.1067","0.0403","","","0.071","0.0886","","","","","","0.99","","","","has coordinates","249530","2020-10-21","18:00:00",""
"4134508","11.3793","0.0001","11.8884","0.0002","12.7447","0.0002","90","","90","","90","","1724.12","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F3 K Mo O2 -","- F3 K Mo O2 -","- F48 K16 Mo16 O32 -","16","4","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","x-ray","0.71073","MoKα","","0.0235","0.022","","","0.0457","0.0463","","","","","","1.045","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134509","11.3563","0.0005","11.8657","0.0005","12.7391","0.0006","90","","90","","90","","1716.6","0.13","100","","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F3 K Mo O2 -","- F3 K Mo O2 -","- F48 K16 Mo16 O32 -","16","4","","Hancock, Justin C.; Nisbet, Matthew L.; Zhang, Weiguo; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R.","Periodic Tendril Perversion and Helices in the AMoO<sub>2</sub>F<sub>3</sub> (A = K, Rb, NH<sub>4</sub>, Tl) Family.","Journal of the American Chemical Society","2020","142","13","6375","6380","10.1021/jacs.0c01218","","","0.71073","MoKα","","0.013","0.0129","","","0.0314","0.0314","","","","","","1.192","","","","has coordinates","250056","2020-10-21","18:00:00",""
"4134513","7.4499","0.0002","10.1587","0.0003","19.0266","0.0005","90","","90","","90","","1439.96","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CR-172","","","- C12 H20 N2 O2 S2 -","- C12 H20 N2 O2 S2 -","- C48 H80 N8 O8 S8 -","4","1","","Roos, Casey B.; Demaerel, Joachim; Graff, David E.; Knowles, Robert R.","Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2020","142","13","5974","5979","10.1021/jacs.0c01332","","","1.54178","CuKα","","0.0243","0.0231","","","0.0595","0.0601","","","","","","1.09","","","","has coordinates","250067","2020-10-21","18:00:00",""
"4134514","7.5385","0.0003","11.336","0.0004","17.2319","0.0006","90","","90","","90","","1472.58","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CR-173","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Roos, Casey B.; Demaerel, Joachim; Graff, David E.; Knowles, Robert R.","Enantioselective Hydroamination of Alkenes with Sulfonamides Enabled by Proton-Coupled Electron Transfer.","Journal of the American Chemical Society","2020","142","13","5974","5979","10.1021/jacs.0c01332","","","1.54178","CuKα","","0.0227","0.0224","","","0.0582","0.0583","","","","","","1.096","","","","has coordinates","250067","2020-10-21","18:00:00",""
"4134524","8.2143","0.0006","11.985","0.0007","13.161","0.001","90","","90","","90","","1295.68","0.16","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 B N4 -","- C13 H15 B N4 -","- C52 H60 B4 N16 -","4","1","","Dai, Wen; Geib, Steven J.; Curran, Dennis P.","1,4-Hydroboration Reactions of Electron-Poor Aromatic Rings by N-Heterocyclic Carbene Boranes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00490","","","1.54184","CuKα","","0.0725","0.0657","","","0.1514","0.1576","","","","","","1.125","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4134536","8.7338","0.0001","13.7551","0.0002","14.4231","0.0002","90","","90","","90","","1732.71","0.04","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B F4 N -","- C17 H24 B F4 N -","- C68 H96 B4 F16 N4 -","4","1","","Miró, Javier; Gensch, Tobias; Ellwart, Mario; Han, Seo-Jung; Lin, Hsin-Hui; Sigman, Matthew S.; Toste, F. Dean","Enantioselective Allenoate-Claisen Rearrangement Using Chiral Phosphate Catalysts.","Journal of the American Chemical Society","2020","142","13","6390","6399","10.1021/jacs.0c01637","","","1.54184","CuKα","","0.0419","0.0401","","","0.1056","0.1069","","","","","","1.042","","","","has coordinates,has disorder","250061","2020-10-21","18:00:00",""
"4134552","7.3618","0.0001","12.5083","0.0002","27.8448","0.0004","90","","90","","90","","2564.05","0.07","108","12","108","12","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C128 H160 O16 -","8","2","","Qu, Yongzheng; Wang, Zheyuan; Zhang, Zhongchao; Zhang, Wendou; Huang, Jun; Yang, Zhen","Asymmetric Total Synthesis of (+)-Waihoensene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02143","","x-ray","1.54184","CuKα","","0.0453","0.044","","","0.1161","0.1173","","","","","","1.073","","","","has coordinates","249742","2020-10-21","18:00:00",""
"4134589","6.2622","0.0001","10.0039","0.0001","31.7656","0.0005","90","","90","","90","","1990","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C88 H88 N16 O16 -","4","1","","Smith, Kendrick L.; Padgett, Cody L.; Mackay, William D.; Johnson, Jeffrey S.","Catalytic, Asymmetric Dearomative Synthesis of Complex Cyclohexanes via a Highly Regio- and Stereoselective Arene Cyclopropanation Using α-Cyanodiazoacetates","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.9b13080","","","1.54178","CuKα","","0.0289","0.0286","","","0.0981","0.0988","","","","","","0.96","","","","has coordinates","249880","2020-10-21","18:00:00",""
"4134604","13.4811","0.0003","19.2956","0.0004","26.5465","0.0005","90","","90","","90","","6905.4","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H71.5 Cl7.5 N6 O9 -","- C68 H71.5 Cl7.5 N6 O9 -","- C272 H286 Cl30 N24 O36 -","4","1","","Yousefi, Roozbeh; Sarkar, Aritra; Ashtekar, Kumar; Whitehead, Daniel C.; Kakeshpour, Tayeb; Holmes, Daniel; Reed, Paul; Jackson, James E.; Borhan, Babak","Mechanistic Insights into the Origin of Stereoselectivity in an Asymmetric Chlorolactonization Catalyzed by (DHQD)<sub>2</sub>PHAL.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01830","","","1.54178","CuKα","","0.109","0.0713","","","0.1911","0.2225","","","","","","1.029","","","","has coordinates,has disorder","249974","2020-10-21","18:00:00",""
"4134612","21.493","0.006","29.212","0.008","36.334","0.011","90","","90","","90","","22812","11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C178 H179 F72 N24 O0.5 S6 Se6 -","- C178 H179 F72 N24 O0.5 S6 Se6 -","- C712 H716 F288 N96 O2 S24 Se24 -","4","1","","Lin, Yingfu; Hirschi, William J.; Kunadia, Anuj; Paul, Anirudra; Ghiviriga, Ion; Abboud, Khalil A.; Karugu, Rachael W.; Vetticatt, Mathew J.; Hirschi, Jennifer S.; Seidel, Daniel","A Selenourea-Thiourea Brønsted Acid Catalyst Facilitates Asymmetric Conjugate Additions of Amines to α,β-Unsaturated Esters.","Journal of the American Chemical Society","2020","142","12","5627","5635","10.1021/jacs.9b12457","","","0.71073","MoKα","","0.1539","0.0719","","","0.1654","0.1846","","","","","","1.003","","","","has coordinates,has disorder","250027","2020-10-21","18:00:00",""
"4134669","8.9286","0.0002","16.9996","0.0004","22.4884","0.0005","90","","90","","90","","3413.35","0.13","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Br Fe N5 O -","- C36 H46 Br Fe N5 O -","- C144 H184 Br4 Fe4 N20 O4 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0241","0.0218","","","0.0488","0.0498","","","","","","1.072","","","","has coordinates","251450","2020-10-21","18:00:00",""
"4134670","8.77732","0.00019","17.1427","0.0003","22.6633","0.0005","90","","90","","90","","3410.08","0.12","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Cl Fe N5 O -","- C36 H46 Cl Fe N5 O -","- C144 H184 Cl4 Fe4 N20 O4 -","4","1","","Yadav, Vishal; Rodriguez, Rodolfo J.; Siegler, Maxime A.; Goldberg, David P.","Determining the Inherent Selectivity for Carbon Radical Hydroxylation versus Halogenation with Fe<sup>III</sup>(OH)(X) Complexes: Relevance to the Rebound Step in Non-heme Iron Halogenases.","Journal of the American Chemical Society","2020","142","16","7259","7264","10.1021/jacs.0c00493","","","0.71073","MoKα","","0.0257","0.0238","","","0.0541","0.055","","","","","","1.055","","","","has coordinates","251450","2020-10-21","18:00:00",""
"4134683","9.609","0.004","15.344","0.006","21.494","0.009","90","","90","","90","","3169","2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 F4 O5 -","- C36 H38 F4 O5 -","- C144 H152 F16 O20 -","4","1","","Xie, Weilong; Heo, Joon; Kim, Dongwook; Chang, Sukbok","Copper-Catalyzed Direct C-H Alkylation of Polyfluoroarenes by Using Hydrocarbons as an Alkylating Source.","Journal of the American Chemical Society","2020","142","16","7487","7496","10.1021/jacs.0c00169","","","0.71073","MoKα","","0.1517","0.1053","","","0.1829","0.2036","","","","","","1.192","","","","has coordinates,has disorder","251457","2020-10-21","18:00:00",""
"4134715","8.4534","0.0002","8.7745","0.0002","26.1457","0.0006","90","","90","","90","","1939.34","0.08","302","2","301.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O5 -","- C23 H20 O5 -","- C92 H80 O20 -","4","1","","Yang, He; Sun, Jiawei; Gu, Wei; Tang, Wenjun","Enantioselective Cross-Coupling for Axially Chiral Tetra-ortho-Substituted Biaryls and Asymmetric Synthesis of Gossypol.","Journal of the American Chemical Society","2020","142","17","8036","8043","10.1021/jacs.0c02686","","","1.34139","GaKα","","0.0472","0.0417","","","0.0959","0.0999","","","","","","1.052","","","","has coordinates","251442","2020-10-21","18:00:00",""
"4134716","9.9875","0.0001","11.3241","0.0001","46.9874","0.0003","90","","90","","90","","5314.25","0.08","100","0.3","100","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 N O3 S -","- C32 H31 N O3 S -","- C256 H248 N8 O24 S8 -","8","2","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0356","0.0348","","","0.0871","0.0876","","","","","","1.049","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134718","8.5056","0.0001","13.3487","0.0003","25.1954","0.0005","90","","90","","90","","2860.65","0.09","99.9","0.9","99.9","0.9","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O3 S -","- C35 H33 N O3 S -","- C140 H132 N4 O12 S4 -","4","1","","Hong, Feng-Lin; Chen, Yang-Bo; Ye, Si-Han; Zhu, Guang-Yu; Zhu, Xin-Qi; Lu, Xin; Liu, Rai-Shung; Ye, Long-Wu","Copper-Catalyzed Asymmetric Reaction of Alkenyl Diynes with Styrenes by Formal [3 + 2] Cycloaddition via Cu-Containing All-Carbon 1,3-Dipoles: Access to Chiral Pyrrole-Fused Bridged [2.2.1] Skeletons.","Journal of the American Chemical Society","2020","142","16","7618","7626","10.1021/jacs.0c01918","","x-ray","1.54184","CuKα","","0.0665","0.0619","","","0.1546","0.1688","","","","","","1.136","","","","has coordinates","251455","2020-10-21","18:00:00",""
"4134757","15.6733","0.0003","23.5355","0.0004","26.0438","0.0004","90","","90","","90","","9607","0.3","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C94 H124 Al2 Cl4 Mn2 N4 O21 -","- C94 H124 Al2 Cl4 Mn2 N4 O21 -","- C376 H496 Al8 Cl16 Mn8 N16 O84 -","4","1","","Lamb, Jessica R.; Hubbell, Aran K.; MacMillan, Samantha N.; Coates, Geoffrey W.","Carbonylative, Catalytic Deoxygenation of 2,3-Disubstituted Epoxides with Inversion of Stereochemistry: An Alternative Alkene Isomerization Method.","Journal of the American Chemical Society","2020","142","17","8029","8035","10.1021/jacs.0c02653","","x-ray","0.71073","MoKα","","0.045","0.0404","","","0.1021","0.1044","","","","","","1.021","","","","has coordinates,has disorder","251443","2020-10-21","18:00:00",""
"4134781","15.0248","0.0016","17.643","0.002","30.044","0.003","90","","90","","90","","7964.1","1.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(triphenylphosphoranylidene)ammonium [N,N'-Bis(2,6-diisopropylphenyl)- 2,6-pyridinedicarboxamido] copper fluoride tetrahydrofuran solvate","","- C87 H107 Cu F N4 O7 P2 -","- C87 H107 Cu F N4 O7 P2 -","- C348 H428 Cu4 F4 N16 O28 P8 -","4","1","","Bower, Jamey K.; Cypcar, Andrew D.; Henriquez, Brenda; Stieber, S Chantal E; Zhang, Shiyu","C(sp<sup>3</sup>)-H Fluorination with a Copper(II)/(III) Redox Couple.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02583","","x-ray","0.71073","MoKα","","0.0491","0.0396","","","0.0989","0.103","","","","","","1.031","","","","has coordinates,has disorder","251087","2020-10-21","18:00:00",""
"4134794","6.367","0.0003","17.479","0.0008","19.6003","0.0009","90","","90","","90","","2181.29","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O3 -","- C21 H33 N O3 -","- C84 H132 N4 O12 -","4","1","","He, Rui; Huo, Xiaohong; Zhao, Ling; Wang, Feijun; Jiang, Liyin; Liao, Jian; Zhang, Wanbin","Stereodivergent Pd/Cu Catalysis for the Dynamic Kinetic Asymmetric Transformation of Racemic Unsymmetrical 1,3-Disubstituted Allyl Acetates.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02150","","","1.54178","CuKα","","0.0479","0.0405","","","0.1081","0.1159","","","","","","1.03","","","","has coordinates","251145","2020-10-21","18:00:00",""
"4134811","11.7975","0.001","11.833","0.0012","43.114","0.004","90","","90","","90","","6018.7","1","169.99","0.1","169.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C68 H56 O8 -","- C68 H56 O8 -","- C272 H224 O32 -","4","1","","Han, Xiao-Ni; Han, Ying; Chen, Chuan-Feng","Pagoda[4]arene and <i>i</i>-Pagoda[4]arene.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00624","","x-ray","1.54184","CuKα","","0.2096","0.1407","","","0.3333","0.3811","","","","","","1.06","","","","has coordinates","251228","2020-10-21","18:00:00",""
"4134845","6.1878","0.0004","14.9676","0.0014","17.511","0.002","90","","90","","90","","1621.8","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C76 H88 O20 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","1.54178","CuKα","","0.0369","0.0353","","","0.0889","0.0906","","","","","","1.048","","","","has coordinates","251312","2020-10-21","18:00:00",""
"4134846","9.0245","0.0013","13.383","0.002","16.329","0.003","90","","90","","90","","1972.1","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O9 -","- C19 H32 O9 -","- C76 H128 O36 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","1.54178","CuKα","","0.0315","0.0314","","","0.0874","0.0875","","","","","","1.087","","","","has coordinates","251313","2020-10-21","18:00:00",""
"4134848","10.221","0.003","12.581","0.003","13.333","0.004","90","","90","","90","","1714.5","0.8","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Hafeman, Nicholas J.; Loskot, Steven A.; Reimann, Christopher E.; Pritchett, Beau P.; Virgil, Scott C.; Stoltz, Brian M.","The Total Synthesis of (-)-Scabrolide A.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02513","","","0.71073","MoKα","","0.0592","0.0424","","","0.0942","0.1007","","","","","","1.069","","","","has coordinates","251315","2020-10-21","18:00:00",""
"4134854","24.943","0.005","25.029","0.005","48.678","0.01","90","","90","","90","","30390","11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C168 H277 N72 Pd12 -","- C168 H277 N72 Pd12 -","- C672 H1108 N288 Pd48 -","4","1","","Howlader, Prodip; Zangrando, Ennio; Mukherjee, Partha Sarathi","Self-Assembly of Enantiopure Pd12 Tetrahedral Homochiral Nano-Cages with Tetrazole Linkers and Chiral Recognition.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03551","","","0.7","synchrotron","","0.0732","0.0456","","","0.1106","0.1196","","","","","","0.928","","","","has coordinates","251364","2020-10-21","18:00:00",""
"4134867","7.571","0.0015","14.723","0.003","23.143","0.005","90","","90","","90","","2579.7","0.9","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 Cl I2 Ir N O -","- C24 H29 Cl I2 Ir N O -","- C96 H116 Cl4 I8 Ir4 N4 O4 -","4","1","","Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok","Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c02079","","","0.65","synchrotron","","0.0233","0.0214","","","0.0509","0.0514","","","","","","1.006","","","","has coordinates","251377","2020-10-21","18:00:00",""
"4134886","15.8845","0.0006","19.0232","0.0007","28.713","0.0012","90","","90","","90","","8676.3","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H70 Al K N2 O8 Si2 -","- C35 H70 Al K N2 O8 Si2 -","- C280 H560 Al8 K8 N16 O64 Si16 -","8","2","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.098","0.0691","","","0.1712","0.1875","","","","","","1.043","","","","has coordinates,has disorder","251757","2020-10-21","18:00:00",""
"4134887","12.363","0.008","17.201","0.011","21.419","0.011","90","","90","","90","","4555","5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H73 Al B2 K N O8 Si2 -","- C35 H73 Al B2 K N O8 Si2 -","- C140 H292 Al4 B8 K4 N4 O32 Si8 -","4","1","","Koshino, Kota; Kinjo, Rei","Construction of σ-aromatic AlB2 ring via A Borane Coupling with A Dicoordinate Cyclic (Alkyl)(Amino)Aluminyl Anion.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03179","","","0.71073","MoKα","","0.0904","0.0537","","","0.0983","0.1109","","","","","","1.002","","","","has coordinates,has disorder","251758","2020-10-21","18:00:00",""
"4134911","5.8373","0.0003","8.5386","0.0005","47.775","0.003","90","","90","","90","","2381.2","0.2","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 -","- C29 H32 O3 -","- C116 H128 O12 -","4","1","","Dong, Xiao-Yang; Cheng, Jiang-Tao; Zhang, Yu-Feng; Li, Zhong-Liang; Zhan, Tian-Ya; Chen, Ji-Jun; Wang, Fu-Li; Yang, Ning-Yuan; Ye, Liu; Gu, Qiang-Shuai; Liu, Xin-Yuan","Copper-Catalyzed Asymmetric Radical 1,2-Carboalkynylation of Alkenes with Alkyl Halides and Terminal Alkynes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03130","","x-ray","1.54178","CuKα","","0.0254","0.0253","","","0.0639","0.064","","","","","","1.067","","","","has coordinates","251854","2020-10-21","18:00:00",""
"4134912","8.983","0.0005","12.8241","0.0007","24.4677","0.0016","90","","90","","90","","2818.7","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Cl N3 O2 S -","- C32 H28 Cl N3 O2 S -","- C128 H112 Cl4 N12 O8 S4 -","4","1","","Whyte, Andrew; Torelli, Alexa; Mirabi, Bijan; Prieto, Liher; Rodríguez, José F; Lautens, Mark","Cobalt-Catalyzed Enantioselective Hydroarylation of 1,6-Enynes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03246","","","0.71073","MoKα","","0.0578","0.0359","","","0.0758","0.0849","","","","","","1.023","","","","has coordinates","251855","2020-10-21","18:00:00",""
"4134915","6.9388","0.0002","15.0508","0.0003","32.586","0.0008","90","","90","","90","","3403.1","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br Cl N3 O -","- C17 H17 Br Cl N3 O -","- C136 H136 Br8 Cl8 N24 O8 -","8","2","","Strassfeld, Daniel A.; Wickens, Zachary K.; Picazo, Elias; Jacobsen, Eric N.","Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes.","Journal of the American Chemical Society","2020","142","20","9175","9180","10.1021/jacs.0c03991","","","1.54178","CuKα","","0.0585","0.0459","","","0.0949","0.0996","","","","","","1.047","","","","has coordinates","252610","2020-10-21","18:00:00",""
"4134949","5.9297","0.0004","9.0915","0.0006","19.9795","0.0014","90","","90","","90","","1077.09","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","YCL2-14","","","- C10 H16 Br N O2 -","- C10 H16 Br N O2 -","- C40 H64 Br4 N4 O8 -","4","1","","Lin, You-Chen; Ribaucourt, Aubert; Moazami, Yasamin; Pierce, Joshua G.","Concise Synthesis and Antimicrobial Evaluation of the Guanidinium Alkaloid Batzelladine D: Development of a Stereodivergent Strategy.","Journal of the American Chemical Society","2020","142","21","9850","9857","10.1021/jacs.0c04091","","","0.71073","MoKα","","0.0342","0.0247","","","0.0521","0.0547","","","","","","1.031","","","","has coordinates","252613","2020-10-21","18:00:00",""
"4135008","10.3192","0.0004","13.6281","0.0006","25.6934","0.0014","90","","90","","90","","3613.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 N10 O10 -","- C39 H34 N10 O10 -","- C156 H136 N40 O40 -","4","1","","Shen, Jie; Ye, Ruijuan; Romanies, Alyssa; Roy, Arundhati; Chen, Feng; Ren, Changliang; Liu, Zhiwei; Zeng, Huaqiang","Aquafoldmer-Based Aquaporin-like Synthetic Water Channel.","Journal of the American Chemical Society","2020","142","22","10050","10058","10.1021/jacs.0c02013","","","0.71073","MoKα","","0.1397","0.0706","","","0.1228","0.153","","","","","","1.065","","","","has coordinates","257107","2020-10-21","18:00:00",""
"4135012","9.3332","0.0014","12.1683","0.0018","14.396","0.002","90","","90","","90","","1634.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Br2 N2 Ni O2 -","- C12 H18 Br2 N2 Ni O2 -","- C48 H72 Br8 N8 Ni4 O8 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.0418","0.0319","","","0.0619","0.0643","","","","","","0.965","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135013","14.2816","0.0013","14.9089","0.0012","26.853","0.002","90","","90","","90","","5717.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H45 Cl9 O2 -","- C61 H45 Cl9 O2 -","- C244 H180 Cl36 O8 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","0.71073","MoKα","","0.1534","0.0803","","","0.2087","0.2688","","","","","","1.008","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135015","6.7225","0.0001","8.4948","0.0002","29.8034","0.0005","90","","90","","90","","1701.96","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","1","","Qiu, Hui; Shuai, Bin; Wang, Yun-Zhao; Liu, Dong; Chen, Yue-Gang; Gao, Pei-Sen; Ma, Hong-Xing; Chen, Song; Mei, Tian-Sheng","Enantioselective Ni-Catalyzed Electrochemical Synthesis of Biaryl Atropisomers.","Journal of the American Chemical Society","2020","142","22","9872","9878","10.1021/jacs.9b13117","","","1.54178","CuKα","","0.062","0.0597","","","0.1563","0.1608","","","","","","1.047","","","","has coordinates","257112","2020-10-21","18:00:00",""
"4135019","13.4699","0.0005","13.6164","0.0006","20.1702","0.0009","90","","90","","90","","3699.4","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H32 Cl2 O4 -","- C51 H32 Cl2 O4 -","- C204 H128 Cl8 O16 -","4","1","","Yubuta, Ayaka; Hosokawa, Tomoka; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki; Tsurusaki, Akihiro; Kamikawa, Ken","Enantioselective Synthesis of Triple Helicenes by Cross-Cyclotrimerization of a Helicenyl Aryne and Alkynes via Dynamic Kinetic Resolution.","Journal of the American Chemical Society","2020","142","22","10025","10033","10.1021/jacs.0c01723","","","0.71075","MoKα","","0.0581","0.0561","","","0.1554","0.158","","","","","","1.025","","","","has coordinates","257109","2020-10-21","18:00:00",""
"4135028","5.9827","0.0008","15.686","0.002","34.121","0.005","90","","90","","90","","3202.1","0.8","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H32 P2 -","- C43 H32 P2 -","- C172 H128 P8 -","4","1","","Mackenzie, Harvey K.; Rawe, Benjamin W.; Samedov, Kerim; Walsgrove, Henry T. G.; Uva, Azalea; Han, Zeyu; Gates, Derek P.","A Smart Phosphine-Diyne Polymer Displays ""Turn-on"" Emission with a High Selectivity for Gold(I/III) Ions.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04330","","","0.71073","MoKα","","0.0518","0.0461","","","0.106","0.1087","","","","","","1.081","","","","has coordinates","252359","2020-10-21","18:00:00",""
"4135036","7.6731","0.0002","14.8909","0.0004","15.3716","0.0005","90","","90","","90","","1756.35","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cl3 N2 -","- C16 H19 Cl3 N2 -","- C64 H76 Cl12 N8 -","4","1","","Zhou, Mingkang; Li, Kaidi; Chen, Dongping; Xu, Ronghua; Xu, Guangqing; Tang, Wenjun","Enantioselective Reductive Coupling of Imines Templated by Chiral Diboron.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04558","","","0.71073","MoKα","","0.0483","0.0414","","","0.1084","0.1157","","","","","","1.067","","","","has coordinates","252500","2020-10-21","18:00:00",""
"4135075","13.7589","0.0007","14.0096","0.0009","20.7132","0.001","90","","90","","90","","3992.6","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H19 B2 N -","- C29 H19 B2 N -","- C232 H152 B16 N8 -","8","2","","Scholz, Alexander Stefan; Massoth, Julian; Bursch, Markus; Mewes, Jan; Hetzke, Thilo; Wolf, Bernd; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","BNB-Doped Phenalenyls: Modular Synthesis, Optoelectronic Properties, and One-Electron Reduction.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c03118","","","0.71073","MoKα","","0.131","0.0884","","","0.1786","0.1999","","","","","","1.108","","","","has coordinates","253180","2020-10-21","18:00:00",""
"4135096","9.7177","0.0004","10.0431","0.0005","22.0386","0.001","90","","90","","90","","2150.88","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N4 O3 S -","- C22 H20 N4 O3 S -","- C88 H80 N16 O12 S4 -","4","1","","Fu, Liang; Zhang, Zhihan; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05373","","","0.71073","MoKα","","0.0559","0.0431","","","0.1017","0.1118","","","","","","1.059","","","","has coordinates","253635","2020-10-21","18:00:00",""
"4135097","9.5614","0.0002","26.9394","0.0005","7.325","0.0001","90","","90","","90","","1886.76","0.06","170","2","169.97","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N S Si -","- C20 H21 N S Si -","- C80 H84 N4 S4 Si4 -","4","1","","Fu, Liang; Zhang, Zhihan; Chen, Pinhong; Lin, Zhenyang; Liu, Guosheng","Enantioselective Copper-Catalyzed Alkynylation of Benzylic C-H Bonds via Radical Relay.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05373","","","1.34139","GaKα","","0.0472","0.0391","","","0.0798","0.0833","","","","","","1.092","","","","has coordinates","253636","2020-10-21","18:00:00",""
"4135101","14.423","0.003","28.903","0.006","31.726","0.006","90","","90","","90","","13226","5","127.15","","127.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C134 H128 O18 P4 Rh2 -","- C134 H128 O18 P4 Rh2 -","- C536 H512 O72 P16 Rh8 -","4","1","","Yang, Liang-Liang; Evans, Declan; Xu, Bin; Li, Wen-Tao; Li, Mao-Lin; Zhu, Shou-Fei; Houk, K. N.; Zhou, Qi-Lin","Enantioselective Diarylcarbene Insertion into Si-H Bonds Induced by Electronic Properties of the Carbenes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c04725","","","0.71073","MoKα","","0.1192","0.1017","","","0.2024","0.2163","","","","","","1.125","","","","has coordinates","253669","2020-10-21","18:00:00",""
"4135144","9.9504","0.0001","10.5265","0.0001","23.7547","0.0004","90","","90","","90","","2488.14","0.05","300","","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 Cl F N -","- C11 H17 Cl F N -","- C88 H136 Cl8 F8 N8 -","8","2","","Roagna, Giulia; Ascough, David M. H.; Ibba, Francesco; Vicini, Anna Chiara; Fontana, Alberto; Christensen, Kirsten E.; Peschiulli, Aldo; Oehlrich, Daniel; Misale, Antonio; Trabanco, Andrés A; Paton, Robert S.; Pupo, Gabriele; Gouverneur, Veronique","Hydrogen Bonding Phase-Transfer Catalysis with Ionic Reactants: Enantioselective Synthesis of γ-Fluoroamines.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05131","","","1.54184","CuKα","","0.0382","0.0343","","0.0997","0.0944","0.0997","","","","","","1.0011","","","","has coordinates,has disorder","254839","2020-10-21","18:00:00",""
"4135221","30.2999","0.0014","32.5605","0.0013","34.8099","0.0018","90","","90","","90","","34343","3","150","0.1","150","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C224 H388 Cr15 F17 N4 Ni4 O77 S2 -","- C224 H388 Cr15 F17 N4 Ni4 O77 S2 -","- C896 H1552 Cr60 F68 N16 Ni16 O308 S8 -","4","1","","Lockyer, Selena J.; Nawaz, Selina; Brookfield, Adam; Fielding, Alistair J.; Vitorica-Yrezabal, Inigo J; Timco, Grigore A.; Burton, Neil A.; Bowen, Alice M.; Winpenny, Richard E. P.; McInnes, Eric J. L.","Conformational flexibility of hybrid [3]- and [4]-rotaxanes.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c06547","","","1.54184","CuKα","","0.1921","0.1808","","","0.4311","0.4414","","","","","","1.888","","","","has coordinates","255839","2020-10-21","18:00:00",""
"4135234","5.5291","0.0002","9.2918","0.0004","31.0756","0.0012","90","","90","","90","","1596.52","0.11","123","2","123.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl O2 S -","- C17 H17 Cl O2 S -","- C68 H68 Cl4 O8 S4 -","4","1","","Zhang, Qinglong; Dong, Dongfang; Zi, Weiwei","Palladium-Catalyzed Regio- and Enantioselective Hydrosulfonylation of 1,3-Dienes with Sulfinic Acids: Scope, Mechanism, and Origin of Selectivity.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c05976","","x-ray","0.71073","MoKα","","0.0403","0.0354","","","0.083","0.087","","","","","","1.01","","","","has coordinates","255901","2020-10-21","18:00:00",""
"4135258","5.7066","0.0004","8.4577","0.0006","30.146","0.002","90","","90","","90","","1454.99","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Wang, Jian-Cheng; Kan, Xuan; Shang, Jin-Yan; Qiao, Hua; Dong, Yu-Bin","Catalytic Asymmetric Synthesis of Chiral Covalent Organic Frameworks from Prochiral Monomers for Heterogeneous Asymmetric Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07461","","x-ray","1.54178","CuKα","","0.055","0.0432","","","0.104","0.1175","","","","","","1.061","","","","has coordinates","256674","2020-10-21","18:00:00",""
"4135259","5.71444","0.00017","8.4542","0.0003","30.1647","0.0009","90","","90","","90","","1457.29","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Wang, Jian-Cheng; Kan, Xuan; Shang, Jin-Yan; Qiao, Hua; Dong, Yu-Bin","Catalytic Asymmetric Synthesis of Chiral Covalent Organic Frameworks from Prochiral Monomers for Heterogeneous Asymmetric Catalysis.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c07461","","","1.54184","CuKα","","0.0418","0.0381","","","0.0976","0.0995","","","","","","1.07","","","","has coordinates","256675","2020-10-21","18:00:00",""
"4135300","8.0553","0.0005","10.2611","0.0006","10.6161","0.0007","90","","90","","90","","877.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-(S,S,S)-1-methyl-1-ethynyl-1- (5-methyl-tetrahydrofuran-2-yl)-methanol","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois","Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.","Journal of the American Chemical Society","2020","142","43","18541","18553","10.1021/jacs.0c07808","","","0.71073","Mo-Kα","","0.0521","0.0384","","","0.0918","0.0988","","","","","","1.037","","","","has coordinates","258710","2020-11-04","01:23:31",""
"4135315","40.7287","0.0011","5.4786","0.0001","14.2667","0.0004","90","","90","","90","","3183.42","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 S -","- C18 H17 N O2 S -","- C144 H136 N8 O16 S8 -","8","2","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","0.71073","MoKα","","0.122","0.0673","","","0.1234","0.1454","","","","","","1.048","","","","has coordinates,has disorder","258630","2020-10-29","23:46:56",""
"4135317","6.1262","0.0004","7.1062","0.0005","31.219","0.002","90","","90","","90","","1359.09","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 F N O2 -","- C17 H12 F N O2 -","- C68 H48 F4 N4 O8 -","4","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","1.54178","CuKα","","0.0345","0.0333","","","0.0825","0.0837","","","","","","1.057","","","","has coordinates","258632","2020-10-29","23:47:40",""
"4135318","5.8908","0.0003","7.3386","0.0004","33.7998","0.0017","90","","90","","90","","1461.17","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br N O2 -","- C17 H12 Br N O2 -","- C68 H48 Br4 N4 O8 -","4","1","","Chen, Wenchao; Ang, Esther Cai Xia; Tan, Siu Min; Chua, Zhijie; Ren, Jingyun; Yang, Ziqi; Teng, Bo; Lee, Richmond; Lu, Haihua; Tan, Choon-Hong","Enantioselective Addition-Alkylation of α,β-Unsaturated Carbonyls via Bisguanidinium Silicate Ion Pair Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00183","","","0.71073","MoKα","","0.0766","0.0375","","","0.0733","0.0866","","","","","","0.934","","","","has coordinates","258633","2020-10-29","23:48:04",""
"4135324","16.2461","0.0002","16.402","0.0002","19.8014","0.0002","90","","90","","90","","5276.45","0.11","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H77 Cl N8 O6 -","- C52 H77 Cl N8 O6 -","- C208 H308 Cl4 N32 O24 -","4","1","","Xie, Ming-Sheng; Huang, Bin; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Rational Design of 2-Substituted DMAP-<i>N</i>-oxides as Acyl Transfer Catalysts: Dynamic Kinetic Resolution of Azlactones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09075","","x-ray","1.54184","CuKα","","0.0564","0.0485","","","0.1235","0.1305","","","","","","1.042","","","","has coordinates,has disorder","258652","2020-10-30","23:47:49",""
"4135325","5.49233","0.00005","12.68068","0.00013","30.6855","0.0003","90","","90","","90","","2137.14","0.04","290.8","0.8","290.8","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O4 -","- C22 H28 N4 O4 -","- C88 H112 N16 O16 -","4","1","","Xie, Ming-Sheng; Huang, Bin; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Rational Design of 2-Substituted DMAP-<i>N</i>-oxides as Acyl Transfer Catalysts: Dynamic Kinetic Resolution of Azlactones.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c09075","","x-ray","1.54184","CuKα","","0.0449","0.0418","","","0.111","0.112","","","","","","1.067","","","","has coordinates","258653","2020-10-30","23:48:13",""
"4135337","12.0165","0.0005","18.208","0.0008","25.1259","0.0011","90","","90","","90","","5497.5","0.4","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H76 N4 O15 -","- C56 H76 N4 O15 -","- C224 H304 N16 O60 -","4","1","","Liang, Haozhong; Hua, Bin; Xu, Fan; Gan, Li-She; Shao, Li; Huang, Feihe","Acid/Base-Tunable Unimolecular Chirality Switching of a Pillar[5]azacrown <i>Pseudo</i>[1]Catenane.","Journal of the American Chemical Society","2020","142","46","19772","19778","10.1021/jacs.0c10570","","","1.54178","CuKα","","0.0591","0.0564","","","0.1599","0.1631","","","","","","1.062","","","","has coordinates,has disorder","259515","2020-12-04","02:18:55",""
"4135355","7.19727","0.00016","10.5288","0.0002","24.3626","0.0006","90","","90","","90","","1846.16","0.07","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl2 Fe N2 -","- C14 H28 Cl2 Fe N2 -","- C56 H112 Cl8 Fe4 N8 -","4","1","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","0.71073","MoKα","","0.0442","0.0365","","","0.0782","0.0821","","","","","","1.062","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135357","7.33605","0.00014","11.0844","0.0002","26.8365","0.0005","90","","90","","90","","2182.23","0.07","140","0.1","140","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl2 Fe N2 -","- C18 H36 Cl2 Fe N2 -","- C72 H144 Cl8 Fe4 N8 -","4","1","","Braconi, Elena; Götzinger, Alissa C; Cramer, Nicolai","Enantioselective Iron-Catalyzed Cross-[4+4]-Cycloaddition of 1,3-Dienes Provides Chiral Cyclooctadienes.","Journal of the American Chemical Society","2020","142","47","19819","19824","10.1021/jacs.0c09486","","x-ray","1.54184","CuKα","","0.0236","0.0231","","","0.0607","0.0612","","","","","","1.036","","","","has coordinates","259517","2020-12-04","02:20:16",""
"4135364","7.9196","0.0003","8.505","0.0004","27.304","0.0012","90","","90","","90","","1839.09","0.14","170","2","169.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O2 P -","- C20 H26 N O2 P -","- C80 H104 N4 O8 P4 -","4","1","","Li, Yan-Bo; Tian, Hu; Yin, Liang","Copper(I)-Catalyzed Asymmetric 1,4-Conjugate Hydrophosphination of α,β-Unsaturated Amides.","Journal of the American Chemical Society","2020","142","47","20098","20106","10.1021/jacs.0c09654","","","1.34139","GaKα","","0.0613","0.0479","","","0.1076","0.117","","","","","","1.039","","","","has coordinates","259521","2020-12-04","02:21:26",""
"4135386","8.70779","0.00014","9.8648","0.0002","18.3289","0.0003","90","","90","","90","","1574.46","0.05","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Luan, Zi-Hong; Qu, Jian-Ping; Kang, Yan-Biao","Discovery of Oxygen α-Nucleophilic Addition to α,β-Unsaturated Amides Catalyzed by Redox-Neutral Organic Photoreductant.","Journal of the American Chemical Society","2020","142","50","20942","20947","10.1021/jacs.0c10707","","","1.54184","CuKα","","0.0363","0.0351","","","0.0951","0.0966","","","","","","1.055","","","","has coordinates","260430","2021-01-04","03:14:56",""
"4135426","7.6626","0.0003","15.2264","0.0005","21.4966","0.0007","90","","90","","90","","2508.09","0.15","173","2","172.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H23 N O -","- C36 H23 N O -","- C144 H92 N4 O4 -","4","1","","Wang, Qiang; Zhang, Wen-Wen; Zheng, Chao; Gu, Qing; You, Shu-Li","Enantioselective Synthesis of Azoniahelicenes by Rh-Catalyzed C‒H Annulation with Alkynes","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11735","","","1.34139","GaKα","","0.0432","0.0394","","","0.0947","0.0981","","","","","","1.13","","","","has coordinates","260153","2020-12-25","23:34:08",""
"4135427","7.304","0.007","14.694","0.016","25.32","0.03","90","","90","","90","","2717","5","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 N2 O2 -","- C37 H26 N2 O2 -","- C148 H104 N8 O8 -","4","1","","Shi, Zhao-Tao; Hu, Yi-Xiong; Hu, Zhubin; Zhang, Qi; Chen, Shao-Yu; Chen, Meng; Yu, Jing-Jing; Yin, Guang-Qiang; Sun, Haitao; Xu, Lin; Li, Xiaopeng; Feringa, Ben L.; Yang, Hai-Bo; Tian, He; Qu, Da-Hui","Visible-Light-Driven Rotation of Molecular Motors in Discrete Supramolecular Metallacycles","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11752","","","1.34139","GaKα","","0.2512","0.1094","","","0.2146","0.318","","","","","","0.747","","","","has coordinates","260206","2020-12-30","00:01:51",""
"4135428","7.2586","0.0002","14.8057","0.0004","25.2215","0.0007","90","","90","","90","","2710.52","0.13","170","2","169.98","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 N2 O2 -","- C37 H26 N2 O2 -","- C148 H104 N8 O8 -","4","1","","Shi, Zhao-Tao; Hu, Yi-Xiong; Hu, Zhubin; Zhang, Qi; Chen, Shao-Yu; Chen, Meng; Yu, Jing-Jing; Yin, Guang-Qiang; Sun, Haitao; Xu, Lin; Li, Xiaopeng; Feringa, Ben L.; Yang, Hai-Bo; Tian, He; Qu, Da-Hui","Visible-Light-Driven Rotation of Molecular Motors in Discrete Supramolecular Metallacycles","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11752","","","1.34139","GaKα","","0.0578","0.0517","","","0.1418","0.1472","","","","","","1.091","","","","has coordinates","260207","2020-12-30","00:02:09",""
"4135457","8.377","0.0006","11.524","0.0008","22.2398","0.0012","90","","90","","90","","2147","0.2","113","2","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 I N2 O -","- C26 H21 I N2 O -","- C104 H84 I4 N8 O4 -","4","1","","Bai, Zibo; Zhang, Heng; Wang, Hao; Yu, Hanrui; Chen, Gong; He, Gang","Enantioselective Alkylamination of Unactivated Alkenes under Copper Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c12333","","x-ray","0.71073","MoKα","","0.0452","0.0399","","","0.0927","0.096","","","","","","1.089","","","","has coordinates","260304","2021-01-01","00:07:31",""
"4135475","6.75499","0.00015","10.0036","0.0002","28.9","0.0007","90","","90","","90","","1952.89","0.08","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br2 N O3 S -","- C21 H15 Br2 N O3 S -","- C84 H60 Br8 N4 O12 S4 -","4","1","","Ito, Tsubasa; Harada, Shingo; Homma, Haruka; Takenaka, Hiroki; Hirose, Shumpei; Nemoto, Tetsuhiro","Asymmetric Intramolecular Dearomatization of Nonactivated Arenes with Ynamides for Rapid Assembly of Fused Ring System under Silver Catalysis","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c10682","","","1.54187","CuKα","","0.0246","0.0237","","","0.0575","0.0579","","","","","","1.065","","","","has coordinates","260316","2021-01-01","00:17:08",""
"4135482","13.99063","0.00013","23.4405","0.0002","51.2967","0.0004","90","","90","","90","","16822.6","0.2","100.02","0.1","100.02","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H74 Au K N2 O37 -","- C38 H74 Au K N2 O37 -","- C456 H888 Au12 K12 N24 O444 -","12","3","","Liu, Wenqi; Jones, Leighton O.; Wu, Huang; Stern, Charlotte L.; Sponenburg, Rebecca A.; Schatz, George C.; Stoddart, J. Fraser","Supramolecular Gold Stripping from Activated Carbon Using α-Cyclodextrin.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c11769","","x-ray","1.54184","CuKα","","0.0652","0.0588","","","0.1425","0.1474","","","","","","1.022","","","","has coordinates","260323","2021-01-01","00:20:23",""
"4135501","10.06432","0.00011","13.6461","0.0002","35.016","0.0004","90","","90","","90","","4809.05","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54.5 H48.5 N3.5 Ni O2.5 -","- C54.5 H48.5 N3.5 Ni O2.5 -","- C218 H194 N14 Ni4 O10 -","4","1","","Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A.","Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands.","Journal of the American Chemical Society","2021","143","2","817","829","10.1021/jacs.0c09839","","","1.54184","CuKα","","0.0746","0.0635","","","0.1678","0.1794","","","","","","1.048","","","","has coordinates,has disorder","261500","2021-02-04","03:30:42",""
"4135503","9.6441","0.0008","28.862","0.002","42.241","0.002","90","","90","","90","","11757.7","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H52 N3 Ni O2 -","- C55 H52 N3 Ni O2 -","- C440 H416 N24 Ni8 O16 -","8","2","","Dong, Yuyang; Lund, Colton J.; Porter, Gerard J.; Clarke, Ryan M.; Zheng, Shao-Liang; Cundari, Thomas R.; Betley, Theodore A.","Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands.","Journal of the American Chemical Society","2021","143","2","817","829","10.1021/jacs.0c09839","","","0.71073","MoKα","","0.1962","0.082","","","0.1623","0.2031","","","","","","0.961","","","","has coordinates,has disorder","261500","2021-02-04","03:30:42",""
"4135551","5.8732","0.0002","7.3387","0.0003","32.129","0.0014","90","","90","","90","","1384.81","0.1","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O -","- C17 H15 Br O -","- C68 H60 Br4 O4 -","4","1","","Nam, Donggeon; Steck, Viktoria; Potenzino, Robert J.; Fasan, Rudi","A Diverse Library of Chiral Cyclopropane Scaffolds via Chemoenzymatic Assembly and Diversification of Cyclopropyl Ketones.","Journal of the American Chemical Society","2021","","","","","10.1021/jacs.0c09504","","x-ray","1.54184","CuKα","","0.0364","0.0307","","","0.083","0.0836","","","","","","1.101","","","","has coordinates","261275","2021-01-27","23:49:48",""
"4135553","7.1245","0.0001","10.7356","0.0001","19.3304","0.0001","90","","90","","90","","1478.5","0.03","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Zheng, Yin; Qin, Tianzhu; Zi, Weiwei","Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand.","Journal of the American Chemical Society","2021","143","2","1038","1045","10.1021/jacs.0c11504","","x-ray","1.54184","CuKα","","0.0312","0.0305","","","0.0854","0.0859","","","","","","1.049","","","","has coordinates","261432","2021-02-04","00:27:20",""
"4135554","6.9529","0.0001","11.3947","0.0001","15.9363","0.0001","90","","90","","90","","1262.57","0.02","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Zheng, Yin; Qin, Tianzhu; Zi, Weiwei","Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand.","Journal of the American Chemical Society","2021","143","2","1038","1045","10.1021/jacs.0c11504","","x-ray","1.54184","CuKα","","0.0403","0.0399","","","0.1217","0.1223","","","","","","1.048","","","","has coordinates,has disorder","261433","2021-02-04","00:27:46",""
"4135555","6.43106","0.00006","6.6975","0.00004","28.04143","0.00019","90","","90","","90","","1207.8","0.016","291.15","","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Zheng, Yin; Qin, Tianzhu; Zi, Weiwei","Enantioselective Inverse Electron Demand (3 + 2) Cycloaddition of Palladium-Oxyallyl Enabled by a Hydrogen-Bond-Donating Ligand.","Journal of the American Chemical Society","2021","143","2","1038","1045","10.1021/jacs.0c11504","","x-ray","1.54184","CuKα","","0.0375","0.037","","","0.0994","0.0998","","","","","","1.079","","","","has coordinates,has disorder","261434","2021-02-04","00:28:11",""
"4135560","8.0048","0.0003","9.3168","0.0003","25.9145","0.0009","90","","90","","90","","1932.68","0.12","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 B N O2 -","- C21 H30 B N O2 -","- C84 H120 B4 N4 O8 -","4","1","","Zhang, Pinglu; Tsuji, Nobuya; Ouyang, Jie; List, Benjamin","Strong and Confined Acids Catalyze Asymmetric Intramolecular Hydroarylations of Unactivated Olefins with Indoles.","Journal of the American Chemical Society","2021","143","2","675","680","10.1021/jacs.0c12042","","","","","","","","","","","","","","","","","","","","","has coordinates","276363","2022-06-28","17:41:05",""
"4135561","14.3036","0.0007","23.2545","0.0012","28.5467","0.0015","90","","90","","90","","9495.3","0.8","","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C110 H61 Cl4 F14 N3 O8 P2 S2 -","- C110 H61 Cl4 F14 N3 O8 P2 S2 -","- C440 H244 Cl16 F56 N12 O32 P8 S8 -","4","1","","Zhang, Pinglu; Tsuji, Nobuya; Ouyang, Jie; List, Benjamin","Strong and Confined Acids Catalyze Asymmetric Intramolecular Hydroarylations of Unactivated Olefins with Indoles.","Journal of the American Chemical Society","2021","143","2","675","680","10.1021/jacs.0c12042","","","","","","","","","","","","","","","","","","","","","has coordinates","276363","2022-06-28","17:41:05",""
"4135563","8.1694","0.0003","16.0398","0.0004","17.6507","0.0005","90","","90","","90","","2312.87","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br N5 O5 -","- C25 H24 Br N5 O5 -","- C100 H96 Br4 N20 O20 -","4","1","","Chen, Xiangyang; Thøgersen, Mathias Kirk; Yang, Limin; Lauridsen, Rune F.; Xue, Xiao-Song; Jørgensen, Karl Anker; Houk, K. N.","[8+2] vs [4+2] Cycloadditions of Cyclohexadienamines to Tropone and Heptafulvenes-Mechanisms and Selectivities.","Journal of the American Chemical Society","2021","143","2","934","944","10.1021/jacs.0c10966","","x-ray","0.71073","MoKα","","0.0518","0.0405","","","0.0906","0.0977","","","","","","1.022","","","","has coordinates","261442","2021-02-04","00:32:17",""
"4135588","11.489","0.002","13.075","0.003","16.437","0.003","90","","90","","90","","2469.1","0.8","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 I4 Mn2 O6 -","- C12 H24 I4 Mn2 O6 -","- C48 H96 I16 Mn8 O24 -","4","1","","Merzlyakova, Elena; Wolf, Silke; Lebedkin, Sergei; Bayarjargal, Lkhamsuren; Neumeier, B. Lilli; Bartenbach, Daniel; Holzer, Christof; Klopper, Wim; Winkler, Bjoern; Kappes, Manfred; Feldmann, Claus","18-Crown-6 Coordinated Metal Halides with Bright Luminescence and Nonlinear Optical Effects.","Journal of the American Chemical Society","2021","143","2","798","804","10.1021/jacs.0c09454","","","0.71073","MoKα","","0.0823","0.0306","","","0.0614","0.067","","","","","","0.686","","","","has coordinates","261462","2021-02-04","00:45:03",""
"4135589","6.0541","0.0001","14.1336","0.0003","21.0131","0.0003","90","","90","","90","","1798.01","0.05","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H112 O16 Si4 -","- C68 H112 O16 Si4 -","- C68 H112 O16 Si4 -","1","0.25","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0336","0.0298","","","0.0694","0.0711","","","","","","1.04","","","","has coordinates","261463","2021-02-04","00:45:43",""
"4135590","10.13664","0.00018","12.97562","0.00019","19.3014","0.0003","90","","90","","90","","2538.7","0.07","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 O10 Si -","- C23 H33 O10 Si -","- C92 H132 O40 Si4 -","4","1","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0285","0.0278","","","0.0745","0.0751","","","","","","1.037","","","","has coordinates","261464","2021-02-04","00:46:06",""
"4135593","11.95","0.0001","16.7458","0.0001","31.7086","0.0002","90","","90","","90","","6345.28","0.08","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O11 Si -","- C30 H50 O11 Si -","- C240 H400 O88 Si8 -","8","2","","Tomanik, Martin; Xu, Zhi; Herzon, Seth B.","Enantioselective Synthesis of Euonyminol.","Journal of the American Chemical Society","2021","143","2","699","704","10.1021/jacs.0c12998","","","1.54184","CuKα","","0.0355","0.0329","","","0.0859","0.0878","","","","","","1.014","","","","has coordinates","261467","2021-02-04","00:47:26",""
"4135594","12.902","0.001","18.4951","0.0014","19.1223","0.0013","90","","90","","90","","4563","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H51 F6 Fe N10 P -","- C45 H51 F6 Fe N10 P -","- C180 H204 F24 Fe4 N40 P4 -","4","1","","Keilwerth, Martin; Grunwald, Liam; Mao, Weiqing; Heinemann, Frank W.; Sutter, Jörg; Bill, Eckhard; Meyer, Karsten","Ligand Tailoring Toward an Air-Stable Iron(V) Nitrido Complex.","Journal of the American Chemical Society","2021","143","3","1458","1465","10.1021/jacs.0c11141","","","0.71073","MoKα","","0.0614","0.0429","","","0.0818","0.088","","","","","","1.037","","","","has coordinates,has disorder","261468","2021-02-04","00:49:21",""
"4300001","9.4405","0.0001","13.3617","0.0001","16.71","0.0002","90","","90","","90","","2107.82","0.04","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl N5 O -","- C21 H32 Cl N5 O -","- C84 H128 Cl4 N20 O4 -","4","1","","Simon Collinson; Nathaniel W. Alcock; Ahasuya Raghunathan; Pawan K. Kahol; Daryle H. Busch","Synthesis and Properties of Iron(II) and Manganese(II) Complexes Derived from a Topologically Constrained Pentadentate Ligand","Inorganic Chemistry","2000","39","","757","764","10.1021/ic981410f","","","0.71073","MoKα","","0.0479","0.0374","","0.0832","0.0778","","","","1.085","1.084","1.084","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4300003","7.959","0.007","12.3","0.01","21.72","0.02","90","","90","","90","","2126","3","173.2","","173.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl2 Mn N5 O4 -","- C18 H25 Cl2 Mn N5 O4 -","- C72 H100 Cl8 Mn4 N20 O16 -","4","1","","Suzanne J. Brudenell; Leone Spiccia; Alan M. Bond; Gary D. Fallon; David C. R. Hockless; George Lazarev; Peter J. Mahon; Edward R. T. Tiekink","Structural, Spectroscopic, and Electrochemical Studies of Binuclear Manganese(II) Complexes of Bis(pentadentate) Ligands Derived from Bis(1,4,7-triazacyclononane) Macrocycles","Inorganic Chemistry","2000","39","","881","892","10.1021/ic9814470","","","0.7107","MoKalpha","","","0.0354","","","0.0304","","","","","2.207","2.207","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300082","15.393","0.005","18.126","0.006","12.421","0.004","90","","90","","90","","3466","2","298.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H45 O9 P3 Ru S5 -","- C18 O9 P3 Ru S5 -","- C72 O36 P12 Ru4 S20 -","4","1","","Md. Munkir Hossain; Kazuko Matsumoto","Pentasulfide S52- as the First Tridentate Chelating Ligand in Ru(P(OE)3)3S5 (E = Me and Et)","Inorganic Chemistry","2000","39","","247","250","10.1021/ic990764j","","","0.7107","MoKα","","","0.0479","","","","0.0528","","","","","","2.685","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4300353","10.234","0.002","14.522","0.003","18.984","0.004","90","","90","","90","","2821.4","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 N7 Nd O13 -","- C20 H32 N7 Nd O13 -","- C80 H128 N28 Nd4 O52 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300355","10.243","0.002","14.424","0.003","18.92","0.004","90","","90","","90","","2795.4","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 Eu N7 O13 -","- C20 H32 Eu N7 O13 -","- C80 H128 Eu4 N28 O52 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300357","10.1554","0.0004","14.368","0.0006","18.8152","0.0008","90","","90","","90","","2745.4","0.2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 Gd N7 O13 -","- C20 H32 Gd N7 O13 -","- C80 H128 Gd4 N28 O52 -","4","1","","","","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300391","8.658","0.006","8.699","0.006","8.916","0.006","90","","90","","90","","671.5","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- As F7 O2 Xe -","- As F7 O2 Xe -","- As4 F28 O8 Xe4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0510260","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300405","15.09","0.006","15.121","0.006","11.663","0.005","90","","90","","90","","2661.2","1.9","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 Cl2 N S2 Zn -","- C9 H13 Cl2 N S2 Zn -","- C72 H104 Cl16 N8 S16 Zn8 -","8","2","","Wei Lai; Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher","Investigation of Group 12 Metal Complexes with a Tridentate SNS Ligand by X-ray Crystallography and 1H NMR Spectroscopy","Inorganic Chemistry","2006","45","","571","581","10.1021/ic051091+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300407","10.6602","0.001","11.9053","0.0013","22.724","0.002","90","","90","","90","","2884","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 Cu Fe N9 O6 -","- C27 H20 Cu Fe N9 O6 -","- C108 H80 Cu4 Fe4 N36 O24 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0511468","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300415","8.7253","0.0018","11.071","0.002","13.609","0.003","90","","90","","90","","1314.6","0.5","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tl[(C~4~H~9~N~4~)Pt(mnt)]","","","- C8 H9 N6 Pt S2 Tl -","- C8 H9 N6 Pt S2 Tl -","- C32 H36 N24 Pt4 S8 Tl4 -","4","1","","Jay R. Stork; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Metal-Metal Interactions in Thallium(I)/Platinum(II) Compounds Involving a Chelating Dicarbene and Various Auxiliary Ligands","Inorganic Chemistry","2006","45","","849","857","10.1021/ic051252+","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300432","10.3431","0.0004","17.0246","0.0005","23.3149","0.0008","90","","90","","90","","4105.5","0.2","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 Ag4 F12 N8 O8 -","- C32 H32 Ag4 F12 N8 O8 -","- C128 H128 Ag16 F48 N32 O32 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051284x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300435","7.5817","0.0008","10.4787","0.0013","21.663","0.002","90","","90","","90","","1721.1","0.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Ag F3 N4 O3 S -","- C13 H16 Ag F3 N4 O3 S -","- C52 H64 Ag4 F12 N16 O12 S4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic051284x","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300481","23.5","0.005","23.828","0.005","26.897","0.005","90","","90","","90","","15061","5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C159 H144 Ag4 F12 N16 O26 -","- C159 H144 Ag4 F12 N16 O26 -","- C636 H576 Ag16 F48 N64 O104 -","4","1","","Burchell, Tara J.; Puddephatt, Richard J.","Self-Assembly of Homochiral and Heterochiral Silver(I) Coordination Polymers and Networks","Inorganic Chemistry","2006","45","2","650","659","10.1021/ic051365t","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133682","2020-10-21","18:00:00",""
"4300548","5.0448","0.0011","6.4597","0.0014","15.589","0.003","90","","90","","90","","508.01","0.19","125","2","125","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C2 N2 Se2 -","- C2 N2 Se2 -","- C8 N8 Se8 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0515103","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4300567","6.9","0.0018","7.404","0.003","19.116","0.005","90","","90","","90","","976.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H4 Cd2 O7 -","- C9 H3 Cd2 O7 -","- C36 H12 Cd8 O28 -","4","1","","Wang, Lei; Shi, Zhan,; Yang, Ming; Li, Guanghua; Feng, Shouhua","A highly Stable Chiral Cadmium 1,2,4-benzenetricarboxylate: Synthesis, Structure, NLO and Fluorescence Properties","Inorganic Chemistry","2006","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300581","11.71","0.004","13.453","0.004","17.967","0.006","90","","90","","90","","2830.3","1.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N O P Y -","- C32 H35 N O P Y -","- C128 H140 N4 O4 P4 Y4 -","4","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203900","2020-10-21","18:00:00",""
"4300582","11.714","0.003","13.445","0.003","17.967","0.004","90","","90","","90","","2829.9","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N O P Y -","- C32 H35 N O P Y -","- C128 H140 N4 O4 P4 Y4 -","4","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203900","2020-10-21","18:00:00",""
"4300583","11.6787","0.0018","13.3947","0.0019","17.92","0.003","90","","90","","90","","2803.3","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Er N O P -","- C32 H35 Er N O P -","- C128 H140 Er4 N4 O4 P4 -","4","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","203900","2020-10-21","18:00:00",""
"4300584","11.7275","0.0018","13.378","0.002","17.88","0.003","90","","90","","90","","2805.1","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N O P Yb -","- C32 H35 N O P Yb -","- C128 H140 N4 O4 P4 Yb4 -","4","1","","Panda, Tarun K.; Gamer, Michael T.; Roesky, Peter W.","Yttrium and Lanthanide Complexes Having a Chiral Phosphanylamide in the Coordination Sphere","Inorganic Chemistry","2006","45","2","910","916","10.1021/ic051584e","","","","","","","","","","","","","","","","","","","","","has coordinates","277859","2022-09-15","00:05:25",""
"4300675","10.802","0.004","14.284","0.004","20.904","0.005","90","","90","","90","","3225.3","1.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 Cl2 O2 P2 Ti -","- C36 H28 Cl2 O2 P2 Ti -","- C144 H112 Cl8 O8 P8 Ti4 -","4","1","","","","Inorganic Chemistry","2006","","","","","10.1021/ic0517927","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4300772","5.2488","0.0005","9.6411","0.0008","14.5214","0.0013","90","","90","","90","","734.84","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H7 N2 O3 P Zn -","- C4 H7 N2 O3 P Zn -","- C16 H28 N8 O12 P4 Zn4 -","4","1","","Fan, Jian; Slebodnick, Carla; Troya, Diego; Angel, Ross; Hanson, Brian E.","Five New Zinc Phosphite Structures: Tertiary Building Blocks in the Construction of Hybrid Materials","Inorganic Chemistry","2005","44","8","2719","2727","10.1021/ic048204u","","x-ray","0.71073","MoKα","","0.029","0.0282","","","0.0667","0.0672","","","","","","1.045","","","","has coordinates","210165","2020-10-21","18:00:00",""
"4300780","9.614","0.002","13.825","0.003","18.667","0.003","90","","90","","90","","2481.1","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Cl2 N2 O Zn -","- C25 H26 Cl2 N2 O Zn -","- C100 H104 Cl8 N8 O4 Zn4 -","4","1","","Prabhakar, Maddela; Zacharias, Panthapally S.; Das, Samar K.","Self-Assembly of a Fluorescent Chiral Zinc(II) Complex That Leads to Supramolecular Helices","Inorganic Chemistry","2005","44","8","2585","2587","10.1021/ic048236h","","","0.71073","MoKα","","0.058","0.0352","","","0.0743","0.0907","","","","","","1.065","","","","has coordinates","210171","2020-10-21","18:00:00",""
"4300842","11.6109","0.0018","23.191","0.004","32.917","0.005","90","","90","","90","","8864","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C83 H77 Cu3 I3 N P6 S -","- C83 H77 Cu3 I3 N P6 S -","- C332 H308 Cu12 I12 N4 P24 S4 -","4","1","","Tarlok S. Lobana; Ritu Sharma; Renu Sharma; Sheetal Mehra; Alfonso Castineiras; Peter Turner","Versatility of Heterocyclic Thioamides in the Construction of a Trinuclear Cluster [Cu3I3(dppe)3(SC5H4NH)] and CuILinear Polymers {Cu6(SC5H4NH)6I6}n.2nCH3CN and {CuI6(SC3H6N2)6X6}n (X = Br, I)","Inorganic Chemistry","2005","44","","1914","1921","10.1021/ic0484809","","","0.71073","MoKα","","0.1814","0.0724","","","0.1635","0.2126","","","","","","0.822","","","","has coordinates","179046","2020-10-21","18:00:00",""
"4300870","13.9124","0.0013","25.076","0.002","6.444","0.0009","90","","90","","90","","2248.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Ni(L)(MePhCHNH2)]","","","- C23 H26 N6 Ni O -","- C23 H26 N6 Ni O -","- C92 H104 N24 Ni4 O4 -","4","1","","Costes, Jean-Pierre; Lamére, Jean-François; Lepetit, Christine; Lacroix, Pascal G.; Dahan, Françoise; Nakatani, Keitaro","Synthesis, Crystal Structures, and Nonlinear Optical (NLO) Properties of New Schiff-Base Nickel(II) Complexes. Toward a New Type of Molecular Switch?","Inorganic Chemistry","2005","44","6","1973","1982","10.1021/ic048578n","","","","","","","","","","","","","","","","","","","","","has coordinates","210149","2020-10-21","18:00:00",""
"4301064","16.183","0.003","17.695","0.004","18.374","0.004","90","","90","","90","","5261.5","1.9","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H37 F3 N4 O3 S Te2 -","- C17 H37 F3 N4 O3 S Te2 -","- C136 H296 F24 N32 O24 S8 Te16 -","8","2","","Konu, Jari; Chivers, Tristram; Schatte, Gabriele; Parvez, Masood; Laitinen, Risto S.","Formation of N‒I Charge-Transfer Bonds and Ion Pairs in Polyiodides with Imidotellurium Cations","Inorganic Chemistry","2005","44","8","2973","2982","10.1021/ic050058k","","","0.71073","MoKα","","0.0655","0.0404","","","0.0634","0.071","","","","","","0.997","","","","has coordinates","210211","2020-10-21","18:00:00",""
"4301081","13.5908","0.0003","14.5658","0.0005","25.4526","0.0006","90","","90","","90","","5038.6","0.2","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H78 N2 S2 Zn -","- C52 H78 N2 S2 Zn -","- C208 H312 N8 S8 Zn4 -","4","1","","Joachim Ballmann; Michael G. G. Fuchs; Sebastian Dechert; Michael John; Franc Meyer","Synthesis and Coordination Properties of Chelating Dithiophenolate Ligands","Inorganic Chemistry","2009","48","","90","99","10.1021/ic801285u","","","0.71073","MoKα","","0.0617","0.0483","","","0.1051","0.1098","","","","","","1.024","","","","has coordinates,has disorder","179048","2020-10-21","18:00:00",""
"4301126","7.6498","0.0007","14.5434","0.0013","14.9575","0.0013","90","","90","","90","","1664.1","0.3","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cr Mn N8 O2 -","- C9 H12 Cr Mn N8 O2 -","- C36 H48 Cr4 Mn4 N32 O8 -","4","1","","Yusuke Yoshida; Katsuya Inoue; Mohamedally Kurmoo","On the Nature of the Reversibility of Hydration-Dehydration on the Crystal Structure and Magnetism of the Ferrimagnet [MnII(enH)(H2O)][CrIII(CN)6].H2O","Inorganic Chemistry","2009","48","","267","276","10.1021/ic801734x","","","0.71073","MoKα","","0.0335","0.0311","","","0.0833","0.0851","","","","","","1.058","","","","has coordinates","179049","2020-10-21","18:00:00",""
"4301151","13.0476","0.0003","14.8263","0.0003","31.6952","0.0005","90","","90","","90","","6131.4","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 Ca N2 O3 -","- C30 H48 Ca N2 O3 -","- C240 H384 Ca8 N16 O24 -","8","2","","Matthias Westerhausen; Carsten Glock; Helmar Görls","Alkyl-Substituted Amides as Ligands in Homometallic and Heterobimetallic Calcium Complexes","Inorganic Chemistry","2009","48","","394","399","10.1021/ic801857m","","","0.71073","MoKα","","0.0965","0.0548","","","0.1078","0.1251","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4301197","9.834","0.0003","32.8133","0.001","38.8071","0.0014","90","","90","","90","","12522.5","0.7","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 B2 F8 Fe N4 P2 -","- C44 H40 B2 F8 Fe N4 P2 -","- C528 H480 B24 F96 Fe12 N48 P24 -","12","3","","Christine Sui-Seng; F. Nipa Haque; Alen Hadzovic; Anna-Maria Pütz; Valerie Reuss; Nils Meyer; Alan J. Lough; Marco Zimmer-De Iuliis; Robert H. Morris","Synthesis and Characterization of Iron(II) Complexes with Tetradentate Diiminodiphosphine or Diaminodiphosphine Ligands as Precatalysts for the Hydrogenation of Acetophenone","Inorganic Chemistry","2009","48","","735","743","10.1021/ic801518h","","","0.71073","MoKα","","0.1588","0.0807","","","0.1686","0.2116","","","","","","1.005","","","","has coordinates","179049","2020-10-21","18:00:00",""
"4301234","7.422","0.001","13.233","0.001","18.83","0.003","90","","90","","90","","1849.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 B N6 Sm -","- C17 H18 B N6 Sm -","- C68 H72 B4 N24 Sm4 -","4","1","","Hanns-Dieter Amberger; Frank T. Edelmann; Jochen Gottfriedsen; Regine Herbst-Irmer; Stefan Jank; Ulrike Kilimann; Mathias Noltemeyer; Hauke Reddmann; Martina Schäfer","Synthesis, Molecular, and Electronic Structure of (η8-C8H8)Ln(scorpionate) Half-Sandwich Complexes: An Experimental Key to a Better Understanding of f-Element-Cyclooctatetraenyl Bonding","Inorganic Chemistry","2009","48","","760","772","10.1021/ic801765n","","","0.71073","MoKα","","0.0494","0.0487","","","0.122","0.1234","","","","","","1.059","","","","has coordinates,has disorder","179050","2020-10-21","18:00:00",""
"4301256","16.215","0.003","17.174","0.003","18.104","0.004","90","","90","","90","","5041.5","1.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H55 N5 O19 Zn4 -","- C37.5 H42.5 N3.5 O17 Zn4 -","- C150 H170 N14 O68 Zn16 -","4","1","","Hyungphil Chun; Heejin Jung","Targeted Synthesis of a Prototype MOF Based on Zn4(O)(O2C)6 Units and a Nonlinear Dicarboxylate Ligand","Inorganic Chemistry","2009","48","","417","419","10.1021/ic801906e","","","0.71073","MoKα","","0.0596","0.0568","","","0.1627","0.1642","","","","","","1.145","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4301274","7.1733","0.0005","9.8385","0.0006","18.2882","0.0012","90","","90","","90","","1290.68","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 O11.5 P2 V2 -","- C6 H4 O11.5 P2 V2 -","- C24 H16 O46 P8 V8 -","4","1","","Wayne Ouellette; Guangbin Wang; Hongxue Liu; Gordon T. Yee; Charles J. O'Connor; Jon Zubieta","The Hydrothermal and Structural Chemistry of Oxovanadium-Arylphosphonate Networks and Frameworks","Inorganic Chemistry","2009","48","","953","963","10.1021/ic801450m","","x-ray","0.71073","MoKα","","0.0405","0.0354","","","0.0901","0.0932","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4301311","17.351","0.002","17.582","0.004","20.461","0.003","90","","90","","90","","6241.9","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{1,9-bis(2'-pyridyl)-5-[(ethoxy-2""-pyridyl)methyl]-2,5,8-triazanon- 1-ene}-iron(ii)","","- C72 H70 B2 Fe N6 O -","- C72 H70 B2 Fe N6 O -","- C288 H280 B8 Fe4 N24 O4 -","4","1","","Juan Pablo Saucedo-Vázquez; Víctor Manuel Ugalde-Saldívar; Alfredo Rubén Toscano; Peter M. H. Kroneck; Martha Elena Sosa-Torres","On the Mechanism of Iron(III)-Dependent Oxidative Dehydrogenation of Amines","Inorganic Chemistry","2009","48","","1214","1222","10.1021/ic8016968","","","0.71073","MoKα","","0.1743","0.0796","","","0.1937","0.2603","","","","","","1.054","","","","has coordinates","179051","2020-10-21","18:00:00",""
"4301328","8.5334","0.0002","12.7319","0.001","16.195","0.002","90","","90","","90","","1759.5","0.3","293","2","253","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H13 Bi I5 N S -","- C4 H13 Bi I5 N S -","- C16 H52 Bi4 I20 N4 S4 -","4","1","","Nicolas Louvain; Nicolas Mercier; Florent Boucher","α- to β-(dmes)BiI5 (dmes = Dimethyl(2-ethylammonium)sulfonium Dication): Umbrella Reversal of Sulfonium in the Solid State and Short I...I Interchain Contacts-Crystal Structures, Optical Properties, and Theoretical Investigations of 1D Iodobismuthates","Inorganic Chemistry","2009","48","","879","888","10.1021/ic801900r","","x-ray","0.71073","MoKα","","","0.031","","","","0.0446","","","","","","1.051","","","","has coordinates","179051","2020-10-21","18:00:00",""
"4301329","8.4951","0.001","12.8193","0.0015","15.694","0.002","90","","90","","90","","1709.1","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H13 I5 N S Sb -","- C4 H13 I5 N S Sb -","- C16 H52 I20 N4 S4 Sb4 -","4","1","","Nicolas Louvain; Nicolas Mercier; Florent Boucher","α- to β-(dmes)BiI5 (dmes = Dimethyl(2-ethylammonium)sulfonium Dication): Umbrella Reversal of Sulfonium in the Solid State and Short I...I Interchain Contacts-Crystal Structures, Optical Properties, and Theoretical Investigations of 1D Iodobismuthates","Inorganic Chemistry","2009","48","","879","888","10.1021/ic801900r","","x-ray","0.71073","MoKα","","","0.0315","","","","0.0578","","","","","","1.028","","","","has coordinates","179051","2020-10-21","18:00:00",""
"4301336","8.2589","0.0003","17.8918","0.001","22.0679","0.0009","90","","90","","90","","3260.9","0.3","200","2","200","2","","","100","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 Cl3 Lu N6 O9 -","- C26 H35 Cl3 Lu N6 O9 -","- C104 H140 Cl12 Lu4 N24 O36 -","4","1","","Aude Escande; Laure Guénée; Kerry-Lee Buchwalder; Claude Piguet","Complexation of Trivalent Lanthanides with Planar Tridentate Aromatic Ligands Tuned by Counteranions and Steric Constraints","Inorganic Chemistry","2009","48","","1132","1147","10.1021/ic801908c","","x-ray","0.71073","MoKα","","0.0228","0.0188","","","0.0386","0.0392","","","","","","0.984","","","","has coordinates,has disorder","179051","2020-10-21","18:00:00",""
"4301396","7.5362","0.0006","18.4379","0.0014","35.228","0.003","90","","90","","90","","4895","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Cu(l-tyr)(5,6-dmp)](ClO4)","tris diimine copper(II)","","- C2.56 H2.44 Cl0.22 Cu0.11 F0 N0.33 O1.22 -","- C19.1111 H15.5556 Cl1.33333 Cu0.888889 N2.66667 O9.33333 -","- C172 H140 Cl12 Cu8 N24 O84 -","9","2.25","","Sethu Ramakrishnan; Venugopal Rajendiran; Mallayan Palaniandavar; Vaiyapuri Subbarayan Periasamy; Bangalore Suresh Srinag; Hanumanthappa Krishnamurthy; Mohammad Abdulkader Akbarsha","Induction of Cell Death by Ternary Copper(II) Complexes of l-Tyrosine and Diimines: Role of Coligands on DNA Binding and Cleavage and Anticancer Activity","Inorganic Chemistry","2009","48","","1309","1322","10.1021/ic801144x","","","0.71073","MoKα","","0.0893","0.0683","","","0.1666","0.1796","","","","","","1.031","","","","has coordinates","179051","2020-10-21","18:00:00",""
"4301496","10.057","0.016","16.81","0.03","18.39","0.03","90","","90","","90","","3109","9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 B Cl Er N6 O2 -","- C28 H43 B Cl Er N6 O2 -","- C112 H172 B4 Cl4 Er4 N24 O8 -","4","1","","Fuyan Han; Jie Zhang; Yanan Han; Zhengxing Zhang; Zhenxia Chen; Linhong Weng; Xigeng Zhou","Synthesis of Mixed Cp/TpMe2 Lanthanide Complexes from Lanthanocene Precursors and their Structures and Reactivities","Inorganic Chemistry","2009","48","","1774","1781","10.1021/ic802094q","","","0.71073","MoKα","","0.0527","0.0459","","","0.0969","0.0996","","","","","","1.093","","","","has coordinates","179052","2020-10-21","18:00:00",""
"4301593","11.9601","0.0014","14.2707","0.0017","24.803","0.003","90","","90","","90","","4233.4","0.9","120","1","120","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H64 Cl3 N O3 P2 U -","- C30 H48 Cl3 N O P2 U -","- C120 H192 Cl12 N4 O4 P8 U4 -","4","1","","Thibault Cantat; Brian L. Scott; David E. Morris; Jaqueline L. Kiplinger","What a Difference a 5f Element Makes: Trivalent and Tetravalent Uranium Halide Complexes Supported by One and Two Bis[2-(diisopropylphosphino)-4-methylphenyl]amido (PNP) Ligands","Inorganic Chemistry","2009","48","","2114","2127","10.1021/ic802061x","","","0.71073","MoKα","","0.0526","0.0441","","","0.0956","0.0978","","","","","","1.231","","","","has coordinates","179053","2020-10-21","18:00:00",""
"4301615","8.646","0.004","10.852","0.005","14.704","0.007","90","","90","","90","","1379.6","1.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H18 N6 Ni S2 -","- C8 H18 N6 Ni S2 -","- C32 H72 N24 Ni4 S8 -","4","1","","A. Srinivasa Rao; Abhijit Pal; Rajarshi Ghosh; Samar K. Das","Chiral Synthesis of a Mononuclear Nickel(II) Complex Formed from an Achiral Tripodal Amine Ligand: Spontaneous Resolution","Inorganic Chemistry","2009","48","","1802","1804","10.1021/ic802171b","","","0.71073","MoKα","","0.0694","0.025","","","0.0613","0.1101","","","","","","0.956","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301685","10.8159","0.001","14.3316","0.0013","28.152","0.003","90","","90","","90","","4363.8","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","{[SiPiPr3]Co(OTf)}{OTf}","","","- C38 H54 Co F6 O6 P3 S2 Si -","- C38 H54 Co F6 O6 P3 S2 Si -","- C152 H216 Co4 F24 O24 P12 S8 Si4 -","4","1","","Matthew T. Whited; Neal P. Mankad; Yunho Lee; Paul F. Oblad; Jonas C. Peters","Dinitrogen Complexes Supported by Tris(phosphino)silyl Ligands","Inorganic Chemistry","2009","48","","2507","2517","10.1021/ic801855y","","","0.71073","MoKα","","0.1379","0.0783","","","0.1895","0.2174","","","","","","1.007","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4301701","8.5007","0.0005","17.2608","0.0008","30.8408","0.0017","90","","90","","90","","4525.2","0.4","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H68 Ir2 Zr2 -","- C52 H58 Ir2 Zr2 -","- C208 H232 Ir8 Zr8 -","4","1","","Masataka Oishi; Hiroharu Suzuki","Zirconocene-Iridium Hydrido Complexes: Arene Carbon-Hydrogen Bond Activation and Formation of a Planar Square Zr2Ir2 Complex","Inorganic Chemistry","2009","48","","2349","2351","10.1021/ic8020113","","","0.71069","MoKα","","0.0489","0.0418","","","0.1045","0.1111","","","","","","1.052","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301703","5.7087","0.0008","14.096","0.002","15.39","0.003","90","","90","","90","","1238.4","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","1","","Pierre Braunstein; Denis Bubrin; Biprajit Sarkar","Synthesis of Bis(phosphinoferrocenyl) Copper Complexes from Zwitterionic Quinonoid Ligands and Their Structural and Redox Properties","Inorganic Chemistry","2009","48","","2534","2540","10.1021/ic802042w","","","0.71073","MoKα","","0.0446","0.0378","","","0.0968","0.099","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4301709","4.959","0.001","6.4582","0.0013","27.249","0.005","90","","90","","90","","872.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 Cu N3 O2 -","- C8 H7 Cu N3 O2 -","- C32 H28 Cu4 N12 O8 -","4","1","","Jiong-Peng Zhao; Bo-Wen Hu; E. C. Sañudo; Qian Yang; Yong-Fei Zeng; Xian-He Bu","Tuning the Structure and Magnetism of Azido-Mediated CuII Systems by Coligand Modifications","Inorganic Chemistry","2009","48","","2482","2489","10.1021/ic802066a","","","0.71073","MoKα","","0.0543","0.0481","","","0.0951","0.0985","","","","","","1.081","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301714","14.7536","0.0009","17.7288","0.0011","38.311","0.002","90","","90","","90","","10020.8","1","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C107 H146 N4 O6 Sc2 -","- C107 H146 N4 O6 Sc2 -","- C428 H584 N16 O24 Sc8 -","4","1","","Christian Meermann; Karl W. Törnroos; Reiner Anwander","Scandium SALEN Complexes Bearing Chloro, Aryloxo, and Hydroxo Ligands","Inorganic Chemistry","2009","48","","2561","2570","10.1021/ic802082b","","","0.71073","MoKα","","0.0748","0.0501","","","0.1259","0.1434","","","","","","1.058","","","","has coordinates,has disorder","179055","2020-10-21","18:00:00",""
"4301715","10.9304","0.0003","17.4215","0.0005","25.1227","0.0007","90","","90","","90","","4784","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H73 N2 O3 Sc -","- C50 H73 N2 O3 Sc -","- C200 H292 N8 O12 Sc4 -","4","1","","Christian Meermann; Karl W. Törnroos; Reiner Anwander","Scandium SALEN Complexes Bearing Chloro, Aryloxo, and Hydroxo Ligands","Inorganic Chemistry","2009","48","","2561","2570","10.1021/ic802082b","","","0.71073","MoKα","","0.0505","0.034","","","0.0753","0.083","","","","","","1.027","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301797","14.9154","0.0001","20.18","0.0001","30.0374","0.0002","90","","90","","90","","9041.04","0.1","293","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","C48 H32 N16 Cu2 W1 1+, C28 H16 N12 Cu1 W1 1-, 4.5(H2 O1)","","- C76 H58 Cu3 N28 O5 W2 -","- C76 H48 Cu3 N28 O5.15 W2 -","- C304 H192 Cu12 N112 O20.6 W8 -","4","1","","Tomasz Korzeniak; Cédric Desplanches; Robert Podgajny; Carlos Giménez-Saiz; Katarzyna Stadnicka; Michał Rams; Barbara Sieklucka","Magnetostructural Correlations in CuII-NC-WVLinkage: The Case of [CuII(diimine)]2±[WV(CN)8]3-0D Assemblies","Inorganic Chemistry","2009","48","","2865","2872","10.1021/ic801989b","","","0.71073","MoKα","","0.0993","0.0519","","","0.1034","0.1206","","","","","","1.029","","","","has coordinates","179055","2020-10-21","18:00:00",""
"4301807","13.0638","0.0004","13.5574","0.0003","20.3649","0.0005","90","","90","","90","","3606.85","0.16","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 Fe Mn N9 O3 -","- C40 H29 Fe Mn N9 O3 -","- C160 H116 Fe4 Mn4 N36 O12 -","4","1","","Jae Il Kim; Hyun Young Kwak; Jung Hee Yoon; Dae Won Ryu; In Young Yoo; Namgeun Yang; Beong Ki Cho; Je-Geun Park; Hyosug Lee; Chang Seop Hong","Cyanide-Bridged FeIII-MnIII Bimetallic Complexes with Dimeric and Chain Structures Constructed from a Newly Mademer-Fe Tricyanide: Structures and Magnetic Properties","Inorganic Chemistry","2009","48","","2956","2966","10.1021/ic802033q","","","0.71073","MoKα","","0.0977","0.0783","","","0.2121","0.2382","","","","","","1.049","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4301846","11.409","0.004","15.44","0.005","16.068","0.006","90","","90","","90","","2830.5","1.7","168","2","168","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H51 Co N2 O P2 Si -","- C23 H51 Co N2 O P2 Si -","- C92 H204 Co4 N8 O4 P8 Si4 -","4","1","","Wayne A. Chomitz; John Arnold","Substitution and Reaction Chemistry of Cobalt Complexes Supported by [N2P2] Ligands","Inorganic Chemistry","2009","48","","3274","3286","10.1021/ic802337t","","","0.71073","MoKα","","0.0869","0.0632","","","0.1459","0.156","","","","","","1.084","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4301875","10.1697","0.0004","18.9472","0.0007","21.0152","0.0008","90","","90","","90","","4049.4","0.3","225","2","225","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H23 F12 N4 Nd O12 P2 -","- C35 H23 F12 N4 Nd O12 P2 -","- C140 H92 F48 N16 Nd4 O48 P8 -","4","1","","Sylvie Pailloux; Cornel Edicome Shirima; Alisha D. Ray; Eileen N. Duesler; Robert T. Paine; John R. Klaehn; Michael E. McIlwain; Benjamin P. Hay","Synthesis and Coordination Properties of Trifluoromethyl Decorated Derivatives of 2,6-Bis[(diphenylphosphinoyl)methyl]pyridine N-Oxide Ligands with Lanthanide Ions","Inorganic Chemistry","2009","48","","3104","3113","10.1021/ic802390c","","","0.71073","MoKα","","0.0534","0.0369","","","0.0805","0.0873","","","","","","1.01","","","","has coordinates,has disorder","179056","2020-10-21","18:00:00",""
"4301882","10.1129","0.0005","18.8663","0.001","21.1388","0.001","90","","90","","90","","4033.1","0.3","228","2","228","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H23 Eu F12 N4 O12 P2 -","- C35 H23 Eu F12 N4 O12 P2 -","- C140 H92 Eu4 F48 N16 O48 P8 -","4","1","","Sylvie Pailloux; Cornel Edicome Shirima; Alisha D. Ray; Eileen N. Duesler; Robert T. Paine; John R. Klaehn; Michael E. McIlwain; Benjamin P. Hay","Synthesis and Coordination Properties of Trifluoromethyl Decorated Derivatives of 2,6-Bis[(diphenylphosphinoyl)methyl]pyridine N-Oxide Ligands with Lanthanide Ions","Inorganic Chemistry","2009","48","","3104","3113","10.1021/ic802390c","","","0.71073","MoKα","","0.0649","0.041","","","0.0819","0.0898","","","","","","0.999","","","","has coordinates","179056","2020-10-21","18:00:00",""
"4301930","9.3699","0.0007","9.4651","0.0008","25.339","0.002","90","","90","","90","","2247.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C112 H104 N8 O8 -","4","1","","Pedro Adão; João Costa Pessoa; Rui T. Henriques; Maxim L. Kuznetsov; Fernando Avecilla; Mannar R. Maurya; Umesh Kumar; Isabel Correia","Synthesis, Characterization, and Application of Vanadium-Salan Complexes in Oxygen Transfer Reactions","Inorganic Chemistry","2009","48","","3542","3561","10.1021/ic8017985","","","0.71073","MoKα","","0.0498","0.0362","","","0.0887","0.1108","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4301947","10.3931","0.0002","13.1499","0.0003","44.9701","0.0011","90","","90","","90","","6146","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 F15 Nd O7 -","- C26 H20 F15 Nd O7 -","- C208 H160 F120 Nd8 O56 -","8","2","","Norton, Kieran; Kumar, G. A.; Dilks, Jennifer L.; Emge, Thomas J.; Riman, Richard E.; Brik, Mikhail G.; Brennan, John G.","Lanthanide Compounds with Fluorinated Aryloxide Ligands: Near-Infrared Emission from Nd, Tm, and Er","Inorganic Chemistry","2009","48","8","3573","3580","10.1021/ic8020639","","","0.71073","MoKα","","0.0368","0.0353","","","0.0765","0.0772","","","","","","1.005","","","","has coordinates","210350","2020-10-21","18:00:00",""
"4302034","8.2865","0.0001","15.7349","0.0003","18.954","0.0003","90","","90","","90","","2471.36","0.07","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Fe I N O3 P -","- C26 H21 Fe I N O3 P -","- C104 H84 Fe4 I4 N4 O12 P4 -","4","1","","Blaise V. Obrist; Dafa Chen; Anne Ahrens; Volker Schünemann; Rosario Scopelliti; Xile Hu","An Iron Carbonyl Pyridonate Complex Related to the Active Site of the [Fe]-Hydrogenase (Hmd)","Inorganic Chemistry","2009","48","","3514","3516","10.1021/ic900281g","","","0.71073","MoKα","","0.0253","0.0197","","","0.0419","0.0442","","","","","","1.049","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302041","7.6823","0.0011","11.6397","0.0016","19.385","0.003","90","","90","","90","","1733.4","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 I2 N2 Zn -","- C14 H20 I2 N2 Zn -","- C56 H80 I8 N8 Zn4 -","4","1","","Sibaprasad Bhattacharyya; Aurora E. Clark; Maren Pink; Jeffrey M. Zaleski","Structure Modulated Electronic Contributions to Metalloenediyne Reactivity: Synthesis and Thermal Bergman Cyclization of MLX2 Compounds","Inorganic Chemistry","2009","48","","3916","3925","10.1021/ic801116q","","","0.71073","MoKα","","0.0514","0.0442","","","0.1054","0.1093","","","","","","1.073","","","","has coordinates","179058","2020-10-21","18:00:00",""
"4302118","16.902","0.003","18.351","0.002","18.787","0.003","90","","90","","90","","5827.1","1.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H64 Cd2 N12 O14 -","- C56 H64 Cd2 N12 O14 -","- C224 H256 Cd8 N48 O56 -","4","1","","Li Wang; Wei You; Wei Huang; Cheng Wang; Xiao-Zeng You","Alteration of Molecular Conformations, Coordination Modes, and Architectures for a Novel 3,8-Diimidazol-1,10-phenanthroline Compound in the Construction of Cadmium(II) and Zinc(II) Homochiral Coordination Polymers Involving an Auxiliary Chiral Camphorate Ligand","Inorganic Chemistry","2009","48","","4295","4305","10.1021/ic802445q","","","0.71073","MoKα","","0.0611","0.0489","","","0.0721","0.0751","","","","","","1.072","","","","has coordinates","179059","2020-10-21","18:00:00",""
"4302231","7.789","0.002","17.352","0.003","31.176","0.006","90","","90","","90","","4213.6","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Br3 Mn3 N6 O10 -","- C37 H42 Br3 Mn3 N6 O10 -","- C148 H168 Br12 Mn12 N24 O40 -","4","1","","Cai-Ming Liu; De-Qing Zhang; Dao-Ben Zhu","1D Coordination Polymers Constructed from anti-anti Carboxylato-Bridged MnIII3O(Brppz)3 Units: From Long-Range Magnetic Ordering to Single-Chain Magnet Behaviors","Inorganic Chemistry","2009","48","","4980","4987","10.1021/ic900345s","","","0.71073","MoKα","","0.0859","0.0776","","","0.1739","0.178","","","","","","1.123","","","","has coordinates","179060","2020-10-21","18:00:00",""
"4302474","13.2593","0.0004","15.4882","0.0005","19.6143","0.0006","90","","90","","90","","4028","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cl6 I4 N4 O3 Zn -","- C29 H30 Cl6 I4 N4 O3 Zn -","- C116 H120 Cl24 I16 N16 O12 Zn4 -","4","1","","Michael Frezza; Sarmad Sahiel Hindo; Dajena Tomco; Marco M. Allard; Qiuzhi Cindy Cui; Mary Jane Heeg; Di Chen; Cláudio N. Verani; Q. Ping Dou","Comparative Activities of Nickel(II) and Zinc(II) Complexes of Asymmetric [NN'O] Ligands as 26S Proteasome Inhibitors","Inorganic Chemistry","2009","48","","5928","5937","10.1021/ic900276g","","","0.71073","MoKα","","0.1187","0.0633","","","0.1318","0.1454","","","","","","1.005","","","","has coordinates","179062","2020-10-21","18:00:00",""
"4302480","7.1416","","17.1463","","25.7194","","90","","90","","90","","3149.39","","","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- In2 Sb6 Zn9 -","- In2 Sb6 Zn9 -","- In16 Sb48 Zn72 -","8","2","","Yang Wu; Sven Lidin; Thomas L. Groy; Nathan Newman; Ulrich Häussermann","Zn5Sb4In2-δ- a Ternary Derivative of Thermoelectric Zinc Antimonides","Inorganic Chemistry","2009","48","","5996","6003","10.1021/ic900302a","","","0.71069","MoKα","","0.2067","0.0554","","","0.105","0.124","","","","1.9","1.9","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4302588","13.3036","0.0007","16.3418","0.0008","16.7272","0.0008","90","","90","","90","","3636.6","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","TpiPr2ZnSCy","","","- C33 H57 B N6 S Zn -","- C33 H57 B N6 S Zn -","- C132 H228 B4 N24 S4 Zn4 -","4","1","","Matthew S. Varonka; Timothy H. Warren","S-Nitrosothiol and Nitric Oxide Reactivity at Zinc Thiolates","Inorganic Chemistry","2009","48","","5605","5607","10.1021/ic900664r","","","0.71073","MoKα","","0.1088","0.0495","","","0.1014","0.1148","","","","","","0.96","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4302598","13.562","0.005","18.321","0.005","20.33","0.005","90","","90","","90","","5051","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H74 Cl6 Co N5 -","- C51 H74 Cl6 Co N5 -","- C204 H296 Cl24 Co4 N20 -","4","1","","Dibyendu Bhattacharya; Suman Maji; Kuntal Pal; Sabyasachi Sarkar","Oxygen-Cobalt Chemistry Using a Porphyrinogen Platform","Inorganic Chemistry","2009","48","","6362","6370","10.1021/ic802102k","","x-ray","0.71073","MoKα","","0.0522","0.0445","","","0.0925","0.0957","","","","","","1.039","","","","has coordinates","179063","2020-10-21","18:00:00",""
"4302663","9.842","0.006","16.558","0.009","21.262","0.011","90","","90","","90","","3465","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 B2 Cu F8 N6 O -","- C33 H48 B2 Cu F8 N6 O -","- C132 H192 B8 Cu4 F32 N24 O4 -","4","1","","Peter Comba; Christina Haaf; Hubert Wadepohl","Novel Bispidine Ligands and Their First-Row Transition Metal Complexes: Trigonal Bipyramidal and Trigonal Prismatic Geometries","Inorganic Chemistry","2009","48","","6604","6614","10.1021/ic900571v","","x-ray","0.71073","MoKα","","0.0874","0.0462","","","0.1023","0.13","","","","","","1.095","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302664","9.944","0.005","16.743","0.008","21.294","0.011","90","","90","","90","","3545","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 Cl2 N6 Ni O9 -","- C33 H48 Cl2 N6 Ni O9 -","- C132 H192 Cl8 N24 Ni4 O36 -","4","1","","Peter Comba; Christina Haaf; Hubert Wadepohl","Novel Bispidine Ligands and Their First-Row Transition Metal Complexes: Trigonal Bipyramidal and Trigonal Prismatic Geometries","Inorganic Chemistry","2009","48","","6604","6614","10.1021/ic900571v","","x-ray","0.71073","MoKα","","0.0905","0.0459","","","0.1004","0.1315","","","","","","1.128","","","","has coordinates,has disorder","179064","2020-10-21","18:00:00",""
"4302672","16","0.001","21.02","0.001","24.54","0.001","90","","90","","90","","8253.3","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H95 Co N14 O14 P -","- C64 H91 Co N13 O31 P -","- C256 H364 Co4 N52 O124 P4 -","4","1","","Luciana Hannibal; Clyde A. Smith; Jessica A. Smith; Armend Axhemi; Abby Miller; Sihe Wang; Nicola E. Brasch; Donald W. Jacobsen","High Resolution Crystal Structure of the Methylcobalamin Analogues Ethylcobalamin and Butylcobalamin by X-ray Synchrotron Diffraction","Inorganic Chemistry","2009","48","","6615","6622","10.1021/ic900590p","","","0.78468","","","0.0462","0.0462","","","0.1323","0.1324","","","","","","0.865","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302673","16.03","0.001","20.73","0.001","24.62","0.001","90","","90","","90","","8181.3","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H99 Co N14 O14 P -","- C66 H93 Co N13 O29.284 P -","- C264 H372 Co4 N52 O117.136 P4 -","4","1","","Luciana Hannibal; Clyde A. Smith; Jessica A. Smith; Armend Axhemi; Abby Miller; Sihe Wang; Nicola E. Brasch; Donald W. Jacobsen","High Resolution Crystal Structure of the Methylcobalamin Analogues Ethylcobalamin and Butylcobalamin by X-ray Synchrotron Diffraction","Inorganic Chemistry","2009","48","","6615","6622","10.1021/ic900590p","","","0.78468","","","0.0474","0.0469","","","0.1321","0.1327","","","","","","0.817","","","","has coordinates,has disorder","179064","2020-10-21","18:00:00",""
"4302676","16","0.001","21.02","0.001","24.54","0.001","90","","90","","90","","8253.3","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H91 Co N13 O31 P -","- C64 H91 Co N13 O31 P -","- C256 H364 Co4 N52 O124 P4 -","4","1","","Luciana Hannibal; Clyde A. Smith; Jessica A. Smith; Armend Axhemi; Abby Miller; Sihe Wang; Nicola E. Brasch; Donald W. Jacobsen","High Resolution Crystal Structure of the Methylcobalamin Analogues Ethylcobalamin and Butylcobalamin by X-ray Synchrotron Diffraction","Inorganic Chemistry","2009","48","","6615","6622","10.1021/ic900590p","","","0.78468","","","0.0469","0.0468","","","0.1308","0.1308","","","","","","1.046","","","","has coordinates","179064","2020-10-21","18:00:00",""
"4302677","16.03","0.001","20.73","0.001","24.62","0.001","90","","90","","90","","8181.3","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H101 Co N13 O35 P -","- C66 H99 Co N13 O27.796 P -","- C264 H396 Co4 N52 O111.184 P4 -","4","1","","Luciana Hannibal; Clyde A. Smith; Jessica A. Smith; Armend Axhemi; Abby Miller; Sihe Wang; Nicola E. Brasch; Donald W. Jacobsen","High Resolution Crystal Structure of the Methylcobalamin Analogues Ethylcobalamin and Butylcobalamin by X-ray Synchrotron Diffraction","Inorganic Chemistry","2009","48","","6615","6622","10.1021/ic900590p","","","0.78468","","","0.0443","0.0438","","","0.1244","0.1249","","","","","","0.769","","","","has coordinates,has disorder","179064","2020-10-21","18:00:00",""
"4302724","13.2178","0.0004","23.9498","0.0008","45.21","0.002","90","","90","","90","","14311.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H42 Cl3 Eu N10 O21 -","- C18 H36 Cl3 Eu N10 O21 -","- C288 H576 Cl48 Eu16 N160 O336 -","16","4","","Dirk Burdinski; Jeroen A. Pikkemaat; Johan Lub; Peter de Peinder; Lidia Nieto Garrido; Thomas Weyhermüller","Lanthanide Complexes of Triethylenetetramine Tetra-, Penta-, and Hexaacetamide Ligands as Paramagnetic Chemical Exchange-Dependent Saturation Transfer Contrast Agents for Magnetic Resonance Imaging: Nona- versus Decadentate Coordination","Inorganic Chemistry","2009","48","","6692","6712","10.1021/ic900652y","","","0.71073","MoKα","","0.0964","0.0656","","","0.1343","0.1504","","","","","","1.054","","","","has coordinates,has disorder","179065","2020-10-21","18:00:00",""
"4302782","12.1362","0.0011","12.2752","0.0016","12.7945","0.0014","90","","90","","90","","1906.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O7 Zn2 -","- C16 H27 N O7 Zn2 -","- C64 H108 N4 O28 Zn8 -","4","1","","Shumei Chen; Jian Zhang; Xianhui Bu","Spontaneous Resolution of Racemic Camphorates in the Formation of Three-Dimensional Metal-Organic Frameworks","Inorganic Chemistry","2009","48","","6356","6358","10.1021/ic900918z","","","0.71073","MoKα","","0.1312","0.0768","","","0.1782","0.2078","","","","","","1.07","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4302783","12.154","0.0005","12.3292","0.0007","12.81","0.0008","90","","90","","90","","1919.57","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O7 Zn2 -","- C16 H27 N O7 Zn2 -","- C64 H108 N4 O28 Zn8 -","4","1","","Shumei Chen; Jian Zhang; Xianhui Bu","Spontaneous Resolution of Racemic Camphorates in the Formation of Three-Dimensional Metal-Organic Frameworks","Inorganic Chemistry","2009","48","","6356","6358","10.1021/ic900918z","","","0.71073","MoKα","","0.1189","0.0665","","","0.1652","0.1807","","","","","","0.957","","","","has coordinates","179065","2020-10-21","18:00:00",""
"4302829","9.13","0.002","16.536","0.004","19.866","0.004","90","","90","","90","","2999.2","1.2","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 Cl2 Fe N10 O1.5 -","- C23 H33 Cl2 Fe N10 O1.5 -","- C92 H132 Cl8 Fe4 N40 O6 -","4","1","","Tetsuya Sato; Koshiro Nishi; Seiichiro Iijima; Masaaki Kojima; Naohide Matsumoto","One-Step and Two-Step Spin-Crossover Iron(II) Complexes of ((2-Methylimidazol-4-yl)methylidene)histamine","Inorganic Chemistry","2009","48","","7211","7229","10.1021/ic9006197","","","0.71075","MoKα","","","0.0439","","","","0.0595","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302852","13.9541","0.0002","16.591","0.0001","18.8238","0.0002","90","","90","","90","","4357.94","0.08","200","","200","","","","","","","","local","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 As2 F6 O6 P2 Pt S2 -","- C38 H40 As2 F6 O6 P2 Pt S2 -","- C152 H160 As8 F24 O24 P8 Pt4 S8 -","4","1","","Michelle L. Weir; Ian A. Cade; Nathan L. Kilah; Xiangting Zhou; S. Bruce Wild","Asymmetric Synthesis of Bis(tertiary arsines): Highly Stereoselective Alkylations of Diastereomers of a Chiral Phosphine-Stabilized Bis(arsenium triflate)","Inorganic Chemistry","2009","48","","7482","7490","10.1021/ic900797y","","","0.71073","MoKα","","0.0286","0.0241","","0.0534","0.0524","0.0534","","","","","","0.8661","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4302948","11.8293","0.0004","14.0455","0.0004","21.2863","0.0007","90","","90","","90","","3536.69","0.19","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H57 N O3 P2 W -","- C32 H57 N O3 P2 W -","- C128 H228 N4 O12 P8 W4 -","4","1","","Patrick Achord; Etsuko Fujita; James T. Muckerman; Brian Scott; George C. Fortman; Manuel Temprado; Xiaochen Cai; Burjor Captain; Derek Isrow; John J. Weir; James Eric McDonough; Carl D. Hoff","Experimental and Computational Studies of Binding of Dinitrogen, Nitriles, Azides, Diazoalkanes, Pyridine, and Pyrazines to M(PR3)2(CO)3 (M = Mo, W; R = Me,iPr).","Inorganic Chemistry","2009","48","","7891","7904","10.1021/ic900764e","","","0.71073","MoKα","","0.039","0.0345","","","0.0906","0.0935","","","","","","1.02","","","","has coordinates","179067","2020-10-21","18:00:00",""
"4302989","10.652","0.002","15.056","0.003","24.167","0.003","90","","90","","90","","3875.8","1.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H56 Al3 Cl5 O5 -","- C30 H56 Al3 Cl5 O5 -","- C120 H224 Al12 Cl20 O20 -","4","1","","Zdenek Moravec; Radek Sluka; Marek Necas; Vojtech Jancik; Jiri Pinkas","A Structurally Diverse Series of Aluminum Chloride Alkoxides [ClxAl(μ-OR)y]n (R =nBu,cHex, Ph, 2,4-tBu2C6H3)","Inorganic Chemistry","2009","48","","8106","8114","10.1021/ic802251g","","","0.71073","MoKα","","0.0463","0.0302","","","0.0548","0.0578","","","","","","0.935","","","","has coordinates,has disorder","179067","2020-10-21","18:00:00",""
"4303037","6.9699","0.0002","9.3455","0.0002","19.0541","0.0005","90","","90","","90","","1241.13","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K(C2N2H8)(C10H8N2)","","- C12 H16 K N4 -","- C12 H16 K N4 -","- C48 H64 K4 N16 -","4","1","","Edward Gore-Randall; Mark Irwin; Mark S. Denning; Jose M. Goicoechea","Synthesis and Characterization of Alkali-Metal Salts of 2,2'- and 2,4'-Bipyridyl Radicals and Dianions","Inorganic Chemistry","2009","48","","8304","8316","10.1021/ic9009459","","","0.71073","MoKα","","0.047","0.04","","","0.097","0.1025","","","","","","1.098","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4303052","10.177","0.0009","26.269","0.003","26.925","0.003","90","","90","","90","","7198.1","1.3","133.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 N2 O2 Pd -","- C36 H52 N2 O2 Pd -","- C288 H416 N16 O16 Pd8 -","8","2","","Yuichi Shimazaki; T. Daniel P. Stack; Tim Storr","Detailed Evaluation of the Geometric and Electronic Structures of One-Electron Oxidized Group 10 (Ni, Pd, and Pt) Metal(II)-(Disalicylidene)diamine Complexes","Inorganic Chemistry","2009","48","","8383","8392","10.1021/ic901003q","","","0.7107","MoKα","","","0.0531","","","","0.168","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303086","14.48","","19.449","","25.316","","90","","90","","90","","7129.53","","101","2","101","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(Et2O)Ag(CNArMes2)3]OTf","","","- C80 H83 Ag F3 N3 O4 S -","- C80 H83 Ag F3 N3 O4 S -","- C320 H332 Ag4 F12 N12 O16 S4 -","4","1","","Treffly B. Ditri; Brian J. Fox; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Effective Control of Ligation and Geometric Isomerism: Direct Comparison of Steric Properties Associated with Bis-mesityl and Bis-diisopropylphenyl m-Terphenyl Isocyanides","Inorganic Chemistry","2009","48","","8362","8375","10.1021/ic9010828","","","0.71073","MoKα","","0.0957","0.0583","","","0.0996","0.1157","","","","","","1.004","","","","has coordinates","179068","2020-10-21","18:00:00",""
"4303092","16.6415","0.0011","17.4785","0.0012","24.6126","0.0017","90","","90","","90","","7159","0.8","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Mo(py)(CO)3(CNArDipp2)2","","","- C76 H100 Mo N3 O4.5 -","- C76 H100 Mo N3 O4.5 -","- C304 H400 Mo4 N12 O18 -","4","1","","Treffly B. Ditri; Brian J. Fox; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Effective Control of Ligation and Geometric Isomerism: Direct Comparison of Steric Properties Associated with Bis-mesityl and Bis-diisopropylphenyl m-Terphenyl Isocyanides","Inorganic Chemistry","2009","48","","8362","8375","10.1021/ic9010828","","","0.71073","MoKα","","0.185","0.1094","","","0.2237","0.2581","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4303108","7.9913","0.0012","11.5149","0.0018","20.426","0.003","90","","90","","90","","1879.6","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N3 O3 Rh -","- C19 H26 N3 O3 Rh -","- C76 H104 N12 O12 Rh4 -","4","1","","Felix Konrad; Julio Lloret Fillol; Hubert Wadepohl; Lutz H. Gade","Bis(oxazolinylmethyl)pyrrole Derivatives and Their Coordination as Chiral ""Pincer"" Ligands to Rhodium","Inorganic Chemistry","2009","48","","8523","8535","10.1021/ic901189k","","x-ray","0.71073","MoKα","","0.0547","0.0385","","","0.0848","0.0915","","","","","","1.05","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303109","8.4471","0.0005","12.167","0.0007","22.0014","0.0012","90","","90","","90","","2261.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N3 O3 Rh -","- C27 H26 N3 O3 Rh -","- C108 H104 N12 O12 Rh4 -","4","1","","Felix Konrad; Julio Lloret Fillol; Hubert Wadepohl; Lutz H. Gade","Bis(oxazolinylmethyl)pyrrole Derivatives and Their Coordination as Chiral ""Pincer"" Ligands to Rhodium","Inorganic Chemistry","2009","48","","8523","8535","10.1021/ic901189k","","x-ray","0.71073","MoKα","","0.0508","0.0343","","","0.0778","0.0843","","","","","","1.093","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303110","12.5265","0.0008","13.0043","0.0008","16.1916","0.001","90","","90","","90","","2637.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Cl2 N3 O3 Rh -","- C28 H24 Cl2 N3 O3 Rh -","- C112 H96 Cl8 N12 O12 Rh4 -","4","1","","Felix Konrad; Julio Lloret Fillol; Hubert Wadepohl; Lutz H. Gade","Bis(oxazolinylmethyl)pyrrole Derivatives and Their Coordination as Chiral ""Pincer"" Ligands to Rhodium","Inorganic Chemistry","2009","48","","8523","8535","10.1021/ic901189k","","x-ray","0.71073","MoKα","","0.0418","0.0316","","","0.0632","0.0673","","","","","","1.096","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303111","7.9423","0.0009","12.9449","0.0015","18.998","0.002","90","","90","","90","","1953.2","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N3 O3 Rh -","- C19 H26 N3 O3 Rh -","- C76 H104 N12 O12 Rh4 -","4","1","","Felix Konrad; Julio Lloret Fillol; Hubert Wadepohl; Lutz H. Gade","Bis(oxazolinylmethyl)pyrrole Derivatives and Their Coordination as Chiral ""Pincer"" Ligands to Rhodium","Inorganic Chemistry","2009","48","","8523","8535","10.1021/ic901189k","","x-ray","0.71073","MoKα","","0.0519","0.039","","","0.0788","0.0849","","","","","","1.107","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303112","6.9492","0.0008","11.7795","0.0013","25.417","0.003","90","","90","","90","","2080.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N3 O3 Rh -","- C21 H30 N3 O3 Rh -","- C84 H120 N12 O12 Rh4 -","4","1","","Felix Konrad; Julio Lloret Fillol; Hubert Wadepohl; Lutz H. Gade","Bis(oxazolinylmethyl)pyrrole Derivatives and Their Coordination as Chiral ""Pincer"" Ligands to Rhodium","Inorganic Chemistry","2009","48","","8523","8535","10.1021/ic901189k","","x-ray","0.71073","MoKα","","0.0294","0.0259","","","0.0568","0.0581","","","","","","1.141","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303121","9.9164","0.0002","16.7575","0.0003","18.6842","0.0004","90","","90","","90","","3104.83","0.11","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 F12 N2 O4 Zr -","- C24 H36 F12 N2 O4 Zr -","- C96 H144 F48 N8 O16 Zr4 -","4","1","","Ekaterina Sergeeva; Jacob Kopilov; Israel Goldberg; Moshe Kol","2,2'-Bipyrrolidine versus 1,2-Diaminocyclohexane as Chiral Cores for Helically Wrapping Diamine-Diolate Ligands","Inorganic Chemistry","2009","48","","8075","8077","10.1021/ic901367k","","","0.71073","MoKα","","0.0653","0.0441","","","0.0959","0.1054","","","","","","1.007","","","","has coordinates","179069","2020-10-21","18:00:00",""
"4303201","13.099","0.003","20.34","0.003","24.528","0.004","90","","90","","90","","6535","2","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C50 H64 Ag F12 N11 O13 P2 Ru2 S2 -","- C50 H52 Ag F12 N11 O13 P2 Ru2 S2 -","- C200 H208 Ag4 F48 N44 O52 P8 Ru8 S8 -","4","1","","Motoshi Tamura; Masakazu Yamagishi; Tatsuya Kawamoto; Asako Igashira-Kamiyama; Kiyoshi Tsuge; Takumi Konno","Synthesis and Linkage Isomerization of Thiolato-Bridged RuIIAgIRuII Trinuclear Complex withd-Penicillaminate","Inorganic Chemistry","2009","48","","8998","9004","10.1021/ic901181x","","","0.71075","MoKα","","0.0775","0.0349","","","0.0424","0.0456","","","","","","0.723","","","","has coordinates,has disorder","179070","2020-10-21","18:00:00",""
"4303207","6.3226","0.0004","6.806","0.0003","18.0909","0.001","90","","90","","90","","778.48","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Cs P Pb S3.46 Se0.54 -","- Cs P Pb S3.446 Se0.554 -","- Cs4 P4 Pb4 S13.784 Se2.216 -","4","1","","Alexander Rothenberger; Collin Morris; Hsien-Hau Wang; Duck Young Chung; Mercouri G. Kanatzidis","Soft-Hard Acid-Base Interactions: Probing Coordination Preferences of Sulfur and Selenium in Mixed Chalcophosphates in the Family APbPS4-xSex (A = K, Rb, Cs; x= 0-4)","Inorganic Chemistry","2009","48","","9036","9040","10.1021/ic901283k","","","0.71073","MoKα","","0.027","0.0247","","","0.0544","0.055","","","","","","1.068","","","","has coordinates,has disorder","179070","2020-10-21","18:00:00",""
"4303209","6.604","0.0013","6.856","0.0014","17.594","0.004","90","","90","","90","","796.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- P Pb Rb S1.56 Se2.43 -","- P Pb Rb S1.62 Se2.38 -","- P4 Pb4 Rb4 S6.48 Se9.52 -","4","1","","Alexander Rothenberger; Collin Morris; Hsien-Hau Wang; Duck Young Chung; Mercouri G. Kanatzidis","Soft-Hard Acid-Base Interactions: Probing Coordination Preferences of Sulfur and Selenium in Mixed Chalcophosphates in the Family APbPS4-xSex (A = K, Rb, Cs; x= 0-4)","Inorganic Chemistry","2009","48","","9036","9040","10.1021/ic901283k","","","0.71073","MoKα","","0.0449","0.0403","","","0.0726","0.0737","","","","","","1.144","","","","has coordinates","179070","2020-10-21","18:00:00",""
"4303224","9.8007","0.0003","12.0225","0.0005","21.8908","0.0008","90","","90","","90","","2579.37","0.16","193.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N O4 Ti -","- C28 H33 N O4 Ti -","- C112 H132 N4 O16 Ti4 -","4","1","","Prabhuodeyara M. Gurubasavaraj; Kotohiro Nomura","Synthesis and Structural Analysis of Titanatranes Bearing Terminal Substituted Aryloxo Ligands of the type [Ti(OAr){(O-2,4-Me2C6H2-6-CH2)2(OCH2CH2)N}]n (n= 1, 2): Effect of Aryloxo Substituents in the Ethylene Polymerization","Inorganic Chemistry","2009","48","","9491","9500","10.1021/ic9008398","","","0.71075","MoKα","","","0.0338","","","","0.0912","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303351","10.8251","0.0012","17.1407","0.0018","20.615","0.002","90","","90","","90","","3825.1","0.7","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H31 Mn N11 O3 W -","- C42 H29 Mn N11 O3 W -","- C168 H116 Mn4 N44 O12 W4 -","4","1","","Seok Woo Choi; Dae Won Ryu; Jin Wuk Lee; Jung Hee Yoon; Hyoung Chan Kim; Hyosug Lee; Beong Ki Cho; Chang Seop Hong","One-Dimensional Cyanide-Bridged MnIIIWV Bimetallic Complexes: Metamagnetism, Spontaneous Resolution, and Slow Magnetic Relaxation","Inorganic Chemistry","2009","48","","9066","9068","10.1021/ic901610j","","","0.71073","MoKα","","0.0956","0.0513","","","0.1","0.1265","","","","","","1.013","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4303396","7.8487","0.0003","10.415","0.0003","20.1837","0.0006","90","","90","","90","","1649.9","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 B11 N -","- C8 H26 B11 N -","- C32 H104 B44 N4 -","4","1","","Jian Zhang; Fangrui Zheng; Hoi-Shan Chan; Zuowei Xie","Reaction of a 14-Vertex Carborane with Nucleophiles: Formation of nido-C2B12, nido-C2B11, and closo-CB11 Carborane Anions","Inorganic Chemistry","2009","48","","9786","9791","10.1021/ic901335w","","","1.54178","CuKα","","0.1139","0.0991","","","0.2731","0.2898","","","","","","1.054","","","","has coordinates","179071","2020-10-21","18:00:00",""
"4303422","13.804","0.001","14.843","0.001","18.306","0.001","90","","90","","90","","3750.8","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 N4 Ni2 O11 -","- C34 H52 N4 Ni2 O11 -","- C136 H208 N16 Ni8 O44 -","4","1","","Matilde Fondo; Noelia Ocampo; Ana M. García-Deibe; Eliseo Ruíz; Javier Tercero; Jesús Sanmartín","Discovering the Complex Chemistry of a Simple NiII/H3L System: Magnetostructural Characterization and DFT Calculations of Di- and Polynuclear Nickel(II) Compounds","Inorganic Chemistry","2009","48","","9861","9873","10.1021/ic9014916","","","1.54178","CuKα","","0.0629","0.0582","","","0.1532","0.1577","","","","","","1.069","","","","has coordinates","179072","2020-10-21","18:00:00",""
"4303477","6.0103","0.0009","10.1562","0.0015","23.342","0.004","90","","90","","90","","1424.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(N-{2-[(2-sulfinyl-2-methylpropyl)amino]ethyl}-1- methylimidazole-2-carboxamido)nickel(II)","(N-{2-[(2-sulfinyl-2-methylpropyl)amino]ethyl}-1- methylimidazole-2-carboxamido)nickel(II)","","- C11 H18 N4 Ni O3 S -","- C11 H18 N4 Ni O3 S -","- C44 H72 N16 Ni4 O12 S4 -","4","1","","Christopher S. Mullins; Craig A. Grapperhaus; Brian C. Frye; Larry H. Wood; Amy J. Hay; Robert M. Buchanan; Mark S. Mashuta","Synthesis and Sulfur Oxygenation of a (N3S)Ni Complex Related to Nickel-Containing Superoxide Dismutase","Inorganic Chemistry","2009","48","","9974","9976","10.1021/ic901246w","","","0.71073","MoKα","","0.0459","0.0412","","","0.0962","0.0977","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4303505","10.4465","0.0012","11.7859","0.0013","14.6048","0.0016","90","","90","","90","","1798.2","0.3","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N3 O6 Zn -","- C15 H21 N3 O6 Zn -","- C60 H84 N12 O24 Zn4 -","4","1","","Hyungphil Chun; Jinwoo Seo","Discrimination of Small Gas Molecules through Adsorption: Reverse Selectivity for Hydrogen in a Flexible Metal-Organic Framework","Inorganic Chemistry","2009","48","","9980","9982","10.1021/ic901456k","","","0.71073","MoKα","","0.0278","0.0264","","","0.0707","0.0716","","","","","","1.051","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4303506","11.2076","0.0007","24.643","0.002","36.939","0.003","90","","90","","90","","10202.1","1.3","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H71 Cl4 Cu2 N10 O21.5 -","- C36 H62 Cl4 Cu2 N10 O21.5 -","- C288 H496 Cl32 Cu16 N80 O172 -","8","2","","Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","Polynuclear Complexes: Two Amino‒Phenol Macrocycles Spaced by Several Linear Polyamines; Synthesis, Binding Properties, and Crystal Structure","Inorganic Chemistry","2009","48","21","10424","10434","10.1021/ic901459b","","","1.5418","CuKα","","0.0821","0.0592","","","0.1507","0.1635","","","","","","0.995","","","","has coordinates","210351","2020-10-21","18:00:00",""
"4303514","7.3454","0.0001","13.0298","0.0001","24.3794","0.0003","90","","90","","90","","2333.33","0.05","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","H2L_OMe","","- C21 H31 N3 O5 S2 -","- C21 H31 N3 O5 S2 -","- C84 H124 N12 O20 S8 -","4","1","","Andrew D. Schwarz; Amber L. Thompson; Philip Mountford","Sulfonamide-Supported Group 4 Catalysts for the Ring-Opening Polymerization of ε-Caprolactone and rac-Lactide","Inorganic Chemistry","2009","48","","10442","10454","10.1021/ic901524s","","","0.71073","MoKα","","0.0604","0.0298","","0.0526","0.0341","0.0341","","","","","","1.1038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4303563","8.2755","0.0003","10.7053","0.0004","20.7099","0.0007","90","","90","","90","","1834.73","0.11","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[C12H12N2O5ReS][C2F3O2]","","","- C14 H12 F3 N2 O7 Re S -","- C14 H12 F3 N2 O7 Re S -","- C56 H48 F12 N8 O28 Re4 S4 -","4","1","","Haiyang He; Jennifer E. Morley; Brendan Twamley; Ryan H. Groeneman; Dejan-Krešimir Bučǎr; Leonard R. MacGillivray; Paul D. Benny","Investigation of the Coordination Interactions of S-(Pyridin-2-ylmethyl)-l-Cysteine Ligands with M(CO)3+ (M = Re, 99mTc)","Inorganic Chemistry","2009","48","","10625","10634","10.1021/ic901159r","","x-ray","0.71073","MoKα","","0.0177","0.0162","","","0.0365","0.0371","","","","","","1.034","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4303565","10.7633","0.0012","16.2152","0.0017","33.494","0.004","90","","90","","90","","5845.7","1.1","190","1","190","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 F3 N2 O7 Re S -","- C15 H14 F3 N2 O7 Re S -","- C180 H168 F36 N24 O84 Re12 S12 -","12","3","","Haiyang He; Jennifer E. Morley; Brendan Twamley; Ryan H. Groeneman; Dejan-Krešimir Bučǎr; Leonard R. MacGillivray; Paul D. Benny","Investigation of the Coordination Interactions of S-(Pyridin-2-ylmethyl)-l-Cysteine Ligands with M(CO)3+ (M = Re, 99mTc)","Inorganic Chemistry","2009","48","","10625","10634","10.1021/ic901159r","","","0.71073","MoKα","","0.0309","0.0246","","","0.0509","0.0531","","","","","","1.06","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4303567","11.155","0.003","12.849","0.003","21.133","0.005","90","","90","","90","","3029","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 Ni O P2 S4 -","- C33 H26 Ni O P2 S4 -","- C132 H104 Ni4 O4 P8 S16 -","4","1","","Kuppuswamy Arumugam; Mohamed C. Shaw; P. Chandrasekaran; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue","Synthesis, Structures, and Properties of 1,2,4,5-Benzenetetrathiolate Linked Group 10 Metal Complexes","Inorganic Chemistry","2009","48","","10591","10607","10.1021/ic901257s","","","0.71073","MoKα","","0.0852","0.0686","","","0.1616","0.1695","","","","","","1.107","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4303569","9.872","0.002","15.547","0.003","19.629","0.004","90","","90","","90","","3012.7","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H24 Ni O P2 S4 -","- C33 H24 Ni O P2 S4 -","- C132 H96 Ni4 O4 P8 S16 -","4","1","","Kuppuswamy Arumugam; Mohamed C. Shaw; P. Chandrasekaran; Dino Villagrán; Thomas G. Gray; Joel T. Mague; James P. Donahue","Synthesis, Structures, and Properties of 1,2,4,5-Benzenetetrathiolate Linked Group 10 Metal Complexes","Inorganic Chemistry","2009","48","","10591","10607","10.1021/ic901257s","","","0.71073","MoKα","","0.0283","0.0267","","","0.0628","0.0635","","","","","","1.027","","","","has coordinates","179073","2020-10-21","18:00:00",""
"4303623","6.31","0.002","14.144","0.003","29.431","0.005","90","","90","","90","","2626.7","1.1","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","hydrocortisone, calcium complex","","","- C21 H38 Ca Cl2 O9 -","- C21 H38 Ca Cl2 O9 -","- C84 H152 Ca4 Cl8 O36 -","4","1","","Melanie R. Hauser; Kenneth M. Doxsee; Håkon Hope","Calcium Complexation by Corticosteroids","Inorganic Chemistry","2009","48","","10780","10788","10.1021/ic901670r","","","0.71073","MoKα","","0.046","0.064","","0.052","","0.099","","","2.21","","","2.32","","","","has coordinates","179074","2020-10-21","18:00:00",""
"4303696","10.0786","0.0017","10.2927","0.0015","42.255","0.007","90","","90","","90","","4383.4","1.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H44 Cl3 N O5 P2 Pt -","- C45 H44 Cl3 N O5 P2 Pt -","- C180 H176 Cl12 N4 O20 P8 Pt4 -","4","1","","Fengli Liu; Sumod A. Pullarkat; Kien-Wee Tan; Yongxin Li; Pak-Hing Leung","Organoplatinum Complex Promoted the Asymmetric Endo Stereochemically Controlled Diels-Alder Reaction between 3-Diphenylphosphinofuran and Diphenylvinylphosphine","Inorganic Chemistry","2009","48","","11394","11398","10.1021/ic9014543","","","0.71073","MoKα","","0.0606","0.0441","","","0.0996","0.1324","","","","","","1.153","","","","has coordinates","179074","2020-10-21","18:00:00",""
"4303728","13.873","0.0006","18.0002","0.0008","27.818","0.0014","90","","90","","90","","6946.6","0.6","193.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H74 Eu F9 O9 P2 -","- C72 H74 Eu F9 O9 P2 -","- C288 H296 Eu4 F36 O36 P8 -","4","1","","Takashi Harada; Yoko Nakano; Michiya Fujiki; Masanobu Naito; Tsuyoshi Kawai; Yasuchika Hasegawa","Circularly Polarized Luminescence of Eu(III) Complexes with Point- and Axis-Chiral Ligands Dependent on Coordination Structures","Inorganic Chemistry","2009","48","","11242","11250","10.1021/ic901663w","","","0.71075","MoKα","","","0.0455","","","","0.0496","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4303760","9.9974","0.0019","12.934","0.002","18.465","0.004","90","","90","","90","","2387.6","0.8","110","2","110","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Fe I N O2 P S -","- C25 H19 Fe I N O2 P S -","- C100 H76 Fe4 I4 N4 O8 P4 S4 -","4","1","","Bin Li; Tianbiao Liu; Codrina V. Popescu; Andrey Bilko; Marcetta Y. Darensbourg","Synthesis and Mössbauer Characterization of Octahedral Iron(II) Carbonyl Complexes FeI2(CO)3L and FeI2(CO)2L2: Developing Models of the [Fe]-H2ase Active Site","Inorganic Chemistry","2009","48","","11283","11289","10.1021/ic9017882","","","0.71073","MoKα","","0.0242","0.0232","","","0.0521","0.0525","","","","","","1.078","","","","has coordinates","179075","2020-10-21","18:00:00",""
"4303877","9.9316","0.0018","29.776","0.006","31.998","0.006","90","","90","","90","","9463","3","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Mo2(DAniF)2]2(OCN)4PF6","","","- C64 H60 F6 Mo4 N12 O12 P -","- C64 H60 F6 Mo4 N12 O12 P -","- C256 H240 F24 Mo16 N48 O48 P4 -","4","1","","F. Albert Cotton; Carlos A. Murillo; Qinliang Zhao","Influence of Bonding Mode of the Linkers in the Electronic Communication of Molecular Pairs Having Dimolybdenum Units Linked by Pseudohalides","Inorganic Chemistry","2009","48","","11755","11766","10.1021/ic901826y","","","0.71073","MoKα","","0.154","0.1229","","","0.2546","0.2674","","","","","","1.116","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303896","4.9475","0.0002","10.1781","0.0005","17.5579","0.001","90","","90","","90","","884.15","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Mo Ni3 O10 Te2 -","- Mo Ni3 O10 Te2 -","- Mo4 Ni12 O40 Te8 -","4","1","","Su-Yun Zhang; Hai-Long Jiang; Chuan-Fu Sun; Jiang-Gao Mao","Syntheses, Crystal Structures, and Properties of Five New Transition Metal Molybdenum(VI) Selenites and Tellurites","Inorganic Chemistry","2009","48","","11809","11820","10.1021/ic901855x","","","0.71073","MoKα","","0.018","0.0169","","","0.0383","0.0388","","","","","","1.058","","","","has coordinates","179076","2020-10-21","18:00:00",""
"4303918","13.13","0.008","17.425","0.009","23.345","0.011","90","","90","","90","","5341","5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H75 N3 O3 Ru -","- C60 H75 N3 O3 Ru -","- C240 H300 N12 O12 Ru4 -","4","1","","Dipanwita Das; Atanu Kumar Das; Biprajit Sarkar; Tapan Kumar Mondal; Shaikh M. Mobin; Jan Fiedler; Stanislav Záliš; Francisco A. Urbanos; Reyes Jiménez-Aparicio; Wolfgang Kaim; Goutam Kumar Lahiri","The Semiquinone-Ruthenium Combination as a Remarkably Invariant Feature in the Redox and Substitution Series [Ru(Q)n(acac)3-n]m, n= 1-3; m= (-2), -1, 0, +1, (+2); Q = 4,6-Di-tert-butyl-N-phenyl-o-iminobenzoquinone","Inorganic Chemistry","2009","48","","11853","11864","10.1021/ic901900g","","","0.71073","MoKα","","0.1724","0.0465","","","0.0425","0.0608","","","","","","0.507","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4303922","10.5851","0.0003","15.0369","0.0005","16.5503","0.0004","90","","90","","90","","2634.26","0.13","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 Cl N O2 Pd -","- C27 H40 Cl N O2 Pd -","- C108 H160 Cl4 N4 O8 Pd4 -","4","1","","Sonia Nieto; Palmira Arnau; Elena Serrano; Rafael Navarro; Tatiana Soler; Carlos Cativiela; Esteban P. Urriolabeitia","Functionalization of Methyl (R)-Phenylglycinate Through Orthopalladation: C-Hal, C-O, C-N, and C-C Bond Coupling","Inorganic Chemistry","2009","48","","11963","11975","10.1021/ic901941s","","","0.71073","MoKα","","0.0481","0.0325","","","0.0468","0.0485","","","","","","0.859","","","","has coordinates","179077","2020-10-21","18:00:00",""
"4303923","4.9702","0.0001","15.6329","0.0003","26.4781","0.0005","90","","90","","90","","2057.31","0.07","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl2 N2 O4 Pd2 -","- C18 H20 Cl2 N2 O4 Pd2 -","- C72 H80 Cl8 N8 O16 Pd8 -","4","1","","Sonia Nieto; Palmira Arnau; Elena Serrano; Rafael Navarro; Tatiana Soler; Carlos Cativiela; Esteban P. Urriolabeitia","Functionalization of Methyl (R)-Phenylglycinate Through Orthopalladation: C-Hal, C-O, C-N, and C-C Bond Coupling","Inorganic Chemistry","2009","48","","11963","11975","10.1021/ic901941s","","","0.71073","MoKα","","0.0288","0.0235","","","0.0459","0.0467","","","","","","1.022","","","","has coordinates","179077","2020-10-21","18:00:00",""
"4303926","8.9959","0.0004","17.6807","0.0006","21.2851","0.0007","90","","90","","90","","3385.5","0.2","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Cl N O15 Pd -","- C30 H34 Cl N O15 Pd -","- C120 H136 Cl4 N4 O60 Pd4 -","4","1","","Sonia Nieto; Palmira Arnau; Elena Serrano; Rafael Navarro; Tatiana Soler; Carlos Cativiela; Esteban P. Urriolabeitia","Functionalization of Methyl (R)-Phenylglycinate Through Orthopalladation: C-Hal, C-O, C-N, and C-C Bond Coupling","Inorganic Chemistry","2009","48","","11963","11975","10.1021/ic901941s","","","0.71073","MoKα","","0.0422","0.0279","","","0.0482","0.0499","","","","","","0.951","","","","has coordinates","179077","2020-10-21","18:00:00",""
"4303927","8.1909","0.0002","12.6345","0.0004","20.3294","0.0006","90","","90","","90","","2103.85","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl N O2 Pd -","- C21 H30 Cl N O2 Pd -","- C84 H120 Cl4 N4 O8 Pd4 -","4","1","","Sonia Nieto; Palmira Arnau; Elena Serrano; Rafael Navarro; Tatiana Soler; Carlos Cativiela; Esteban P. Urriolabeitia","Functionalization of Methyl (R)-Phenylglycinate Through Orthopalladation: C-Hal, C-O, C-N, and C-C Bond Coupling","Inorganic Chemistry","2009","48","","11963","11975","10.1021/ic901941s","","","0.71073","MoKα","","0.0265","0.0211","","","0.0396","0.0403","","","","","","0.942","","","","has coordinates","179077","2020-10-21","18:00:00",""
"4303969","8.1353","0.0009","13.5274","0.0014","13.6835","0.0014","90","","90","","90","","1505.9","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Co S2 -","- C16 H19 Co S2 -","- C64 H76 Co4 S8 -","4","1","","Mitsushiro Nomura; Marc Fourmigué","Dinuclear Cp* Cobalt Complexes of the 1,2,4,5-Benzenetetrathiolate Bischelating Ligand","Inorganic Chemistry","2008","47","","1301","1312","10.1021/ic700778b","","x-ray","0.71073","MoKα","","0.0221","0.0206","","","0.0485","0.0494","","","","","","1.028","","","","has coordinates","179077","2020-10-21","18:00:00",""
"4303971","11.5602","0.0001","15.0512","0.0002","18.6825","0.0002","90","","90","","90","","3250.66","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Cp*Co(P(OMe)3)(btt)CoCp*","","","- C29 H41 Co2 O3 P S4 -","- C29 H41 Co2 O3 P S4 -","- C116 H164 Co8 O12 P4 S16 -","4","1","","Mitsushiro Nomura; Marc Fourmigué","Dinuclear Cp* Cobalt Complexes of the 1,2,4,5-Benzenetetrathiolate Bischelating Ligand","Inorganic Chemistry","2008","47","","1301","1312","10.1021/ic700778b","","","0.71073","MoKα","","0.0457","0.0422","","","0.111","0.1165","","","","","","1.156","","","","has coordinates","179077","2020-10-21","18:00:00",""
"4303987","8.9183","0.0007","10.5142","0.0008","22.1978","0.0018","90","","90","","90","","2081.5","0.3","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-(-)-1-bromopropan-2-beta-D-galactose tetraacetate","S-(-)-1-bromopropan-2-beta-D-galactose tetraacetate","","- C17 H26.32 Br O10.66 -","- C17 H25 Br O10.659 -","- C68 H100 Br4 O42.636 -","4","1","","Lauren M. Urbanczyk-Pearson; Frank J. Femia; Jeffrey Smith; Giacomo Parigi; Joseph A. Duimstra; Amanda L. Eckermann; Claudio Luchinat; Thomas J. Meade","Mechanistic Investigation of β-Galactosidase-Activated MR Contrast Agents","Inorganic Chemistry","2008","47","","56","68","10.1021/ic700888w","","","0.71073","MoKα","","0.0335","0.0277","","","0.0663","0.0684","","","","","","1.031","","","","has coordinates","179077","2020-10-21","18:00:00",""
"4303992","11.323","0.002","18.487","0.004","20.297","0.004","90","","90","","90","","4248.7","1.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 Ge O10 P2 Si4 W2 -","- C28 H44 Ge O10 P2 Si4 W2 -","- C112 H176 Ge4 O40 P8 Si16 W8 -","4","1","","Cameron Jones; Christian Schulten; Andreas Stasch","Unusual Reactivity of Methylphosphaalkyne (P\τbCMe) toward Digermenes and Distannenes: Stepwise Formations of Bridged 2,3,5,6-Tetraphospha-1,4-dimethylidenecyclohexanes","Inorganic Chemistry","2008","47","","1273","1278","10.1021/ic700926u","","","0.71073","MoKα","","0.0264","0.0246","","","0.0533","0.0538","","","","","","1.048","","","","has coordinates","179077","2020-10-21","18:00:00",""
"4304010","12.2174","0.0009","15.6645","0.0012","27.527","0.002","90","","90","","90","","5268.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H52 Hg N6 O -","- C68 H52 Hg N6 O -","- C272 H208 Hg4 N24 O4 -","4","1","","Thomas S. Teets; David V. Partyka; James B. Updegraff; Thomas G. Gray","Homoleptic, Four-Coordinate Azadipyrromethene Complexes of d10 Zinc and Mercury","Inorganic Chemistry","2008","47","","2338","2346","10.1021/ic701190g","","","0.71073","MoKα","","0.0225","0.0187","","","0.042","0.043","","","","","","1","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304068","6.6408","0.0007","10.4782","0.0009","18.6166","0.0018","90","","90","","90","","1295.4","0.2","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H17 N6 O5 -","- C7 H17 N6 O5 -","- C28 H68 N24 O20 -","4","1","","Lucie Norel; Fabrice Pointillart; Cyrille Train; Lise-Marie Chamoreau; Kamal Boubekeur; Yves Journaux; Aaron Brieger; David J. R. Brook","Imidazole-Substituted Oxoverdazyl Radical As a Mediator of Intramolecular and Intermolecular Exchange Interaction","Inorganic Chemistry","2008","47","","2396","2403","10.1021/ic701400b","","","0.71073","MoKα","","0.1276","0.0565","","","0.126","0.1472","","","","","","1.024","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304095","9.067","0.0003","10.0542","0.0003","22.8151","0.0009","90","","90","","90","","2079.86","0.12","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","sa0607","","","- C20 H25 B2 F4 Fe O2 -","- C20 H25 B2 F4 Fe O2 -","- C80 H100 B8 F16 Fe4 O8 -","4","1","","Joanna K. Day; Christopher Bresner; Natalie D. Coombs; Ian A. Fallis; Li-Ling Ooi; Simon Aldridge","Colorimetric Fluoride Ion Sensing by Polyborylated Ferrocenes: Structural Influences on Thermodynamics and Kinetics","Inorganic Chemistry","2008","47","","793","804","10.1021/ic701494p","","","0.71073","MoKα","","0.1149","0.092","","","0.24","0.2586","","","","","","1.041","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304097","9.2674","0.0001","15.9758","0.0002","30.0231","0.0004","90","","90","","90","","4445.04","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","sa0603","","","- C54 H47 B3 Fe O6 -","- C54 H47 B3 Fe O6 -","- C216 H188 B12 Fe4 O24 -","4","1","","Joanna K. Day; Christopher Bresner; Natalie D. Coombs; Ian A. Fallis; Li-Ling Ooi; Simon Aldridge","Colorimetric Fluoride Ion Sensing by Polyborylated Ferrocenes: Structural Influences on Thermodynamics and Kinetics","Inorganic Chemistry","2008","47","","793","804","10.1021/ic701494p","","","0.71073","MoKα","","0.111","0.0713","","","0.1594","0.1792","","","","","","1.054","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304099","11.969","0.002","11.964","0.002","32.749","0.007","90","","90","","90","","4689.6","1.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","sa0520","","","- C50 H70 B4 Fe O8 -","- C50 H70 B4 Fe O8 -","- C200 H280 B16 Fe4 O32 -","4","1","","Joanna K. Day; Christopher Bresner; Natalie D. Coombs; Ian A. Fallis; Li-Ling Ooi; Simon Aldridge","Colorimetric Fluoride Ion Sensing by Polyborylated Ferrocenes: Structural Influences on Thermodynamics and Kinetics","Inorganic Chemistry","2008","47","","793","804","10.1021/ic701494p","","","0.71073","MoKα","","0.1236","0.1035","","","0.2451","0.2624","","","","","","1.034","","","","has coordinates","179078","2020-10-21","18:00:00",""
"4304101","11.243","0.003","13.871","0.004","19.773","0.005","90","","90","","90","","3083.6","1.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 B3 F4 Fe O4 -","- C30 H40 B3 F4 Fe O4 -","- C120 H160 B12 F16 Fe4 O16 -","4","1","","Joanna K. Day; Christopher Bresner; Natalie D. Coombs; Ian A. Fallis; Li-Ling Ooi; Simon Aldridge","Colorimetric Fluoride Ion Sensing by Polyborylated Ferrocenes: Structural Influences on Thermodynamics and Kinetics","Inorganic Chemistry","2008","47","","793","804","10.1021/ic701494p","","","0.7848","synchrotron","","0.1086","0.0688","","","0.1351","0.1562","","","","","","0.976","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304187","12.6462","0.0015","13.2223","0.0015","24.765","0.003","90","","90","","90","","4141","0.8","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 Fe N5 Na2 O2 -","- C41 H59 Fe N5 Na2 O2 -","- C164 H236 Fe4 N20 Na8 O8 -","4","1","","Jennifer Scott; Indu Vidyaratne; Ilia Korobkov; Sandro Gambarotta; Peter H. M. Budzelaar","Multiple Pathways for Dinitrogen Activation during the Reduction of an Fe Bis(iminepyridine) Complex","Inorganic Chemistry","2008","47","","896","911","10.1021/ic701643d","","","0.71073","MoKα","","0.0768","0.0492","","","0.1044","0.1166","","","","","","1.051","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304188","8.497","0.004","17.87","0.009","20.213","0.011","90","","90","","90","","3069","3","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Fe N5 -","- C33 H43 Fe N5 -","- C132 H172 Fe4 N20 -","4","1","","Jennifer Scott; Indu Vidyaratne; Ilia Korobkov; Sandro Gambarotta; Peter H. M. Budzelaar","Multiple Pathways for Dinitrogen Activation during the Reduction of an Fe Bis(iminepyridine) Complex","Inorganic Chemistry","2008","47","","896","911","10.1021/ic701643d","","","0.71073","MoKα","","0.1179","0.0589","","","0.0977","0.1126","","","","","","1.039","","","","has coordinates","179079","2020-10-21","18:00:00",""
"4304215","8.373","0.005","10.529","0.006","36.1","0.02","90","","90","","90","","3183","3","208","2","208","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","AW-165","","","- C36 H35 Ge N O2 Si2 -","- C36 H35 Ge N O2 Si2 -","- C144 H140 Ge4 N4 O8 Si8 -","4","1","","Anthony E. Wetherby; Lindy R. Goeller; Antonio G. DiPasquale; Arnold L. Rheingold; Charles S. Weinert","Metal-Dependent Reactions of Bulky Metal(II) Amides M[N(SiMe3)2]2 with 3,3'-Disubstituted Binaphthols (HO)2C20H10(SiR3)2-3,3': Selective Conversion of One Equivalent -OH Group to a Silyl Ether -OSiMe3","Inorganic Chemistry","2008","47","","2162","2170","10.1021/ic7016984","","","0.71073","MoKα","","0.061","0.049","","","0.1069","0.1218","","","","","","0.98","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4304253","9.317","0.002","17.258","0.003","26.922","0.005","90","","90","","90","","4328.9","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H68 Al2 Ni O8 -","- C30 H68 Al2 Ni O8 -","- C120 H272 Al8 Ni4 O32 -","4","1","","Michael Veith; Kroum Valtchev; Volker Huch","Tetraalkoxyaluminates of Nickel(II), Copper(II), and Copper(I)","Inorganic Chemistry","2008","47","","1204","1217","10.1021/ic701729y","","","0.71073","MoKα","","0.1381","0.0764","","","0.1641","0.2106","","","","","","1.123","","","","has coordinates,has disorder","179080","2020-10-21","18:00:00",""
"4304284","5.067","0.0006","9.1795","0.001","18.293","0.002","90","","90","","90","","850.85","0.17","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Cl N O Zn -","- C7 H8 Cl N O Zn -","- C28 H32 Cl4 N4 O4 Zn4 -","4","1","","Shane G. Telfer; Nyree D. Parker; Reiko Kuroda; Takunori Harada; Julie Lefebvre; Daniel B. Leznoff","Helicates, Boxes, and Polymers from Simple Pyridine-Alcohol Ligands: the Impact of the Identity of the Transition Metal Ion","Inorganic Chemistry","2008","47","","209","218","10.1021/ic701757e","","","0.71073","MoKα","","0.0325","0.031","","","0.074","0.0744","","","","","","1.039","","","","has coordinates","179080","2020-10-21","18:00:00",""
"4304303","17.353","0.004","18.353","0.004","27.782","0.006","90","","90","","90","","8848","3","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C85.25 H93.75 Cu4 N6.25 O26.75 -","- C85.25 H93.75 Cu4 N6.25 O26.75 -","- C341 H375 Cu16 N25 O107 -","4","1","","Anja Burkhardt; Eike T. Spielberg; Helmar Görls; Winfried Plass","Chiral Tetranuclear μ3-Alkoxo-Bridged Copper(II) Complex with 2 + 4 Cubane-Like Cu4O4 Core Framework and Ferromagnetic Ground State","Inorganic Chemistry","2008","47","","2485","2493","10.1021/ic701777t","","","0.71073","MoKα","","0.1069","0.0509","","","0.1031","0.1198","","","","","","0.996","","","","has coordinates,has disorder","179081","2020-10-21","18:00:00",""
"4304406","10.6124","0.0009","11.7917","0.0013","30.138","0.003","90","","90","","90","","3771.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H39 Fe N P2 Pt -","- C46 H39 Fe N P2 Pt -","- C184 H156 Fe4 N4 P8 Pt4 -","4","1","","Sirous Jamali; S. Masoud Nabavizadeh; Mehdi Rashidi","Binuclear Cyclometalated Organoplatinum Complexes Containing 1,1'-Bis(diphenylphosphino)ferrocene as Spacer Ligand: Kinetics and Mechanism of MeI Oxidative Addition","Inorganic Chemistry","2008","47","","5441","5452","10.1021/ic701910d","","","0.71073","MoKα","","0.0265","0.0231","","","0.0442","0.0452","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4304460","8.4448","0.0017","13.954","0.003","14.415","0.003","90","","90","","90","","1698.6","0.6","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","99051Z","","","- C9 H22 F6 Mn N3 O4 P -","- C9 H22 F6 Mn N3 O4 P -","- C36 H88 F24 Mn4 N12 O16 P4 -","4","1","","Marciela Scarpellini; Jessica Gätjens; Ola J. Martin; Jeff W. Kampf; Suzanne E. Sherman; Vincent L. Pecoraro","Modeling the Resting State of Oxalate Oxidase and Oxalate Decarboxylase Enzymes","Inorganic Chemistry","2008","47","","3584","3593","10.1021/ic701953g","","","0.71073","MoKα","","0.0417","0.0394","","","0.1046","0.1063","","","","","","1.039","","","","has coordinates","179082","2020-10-21","18:00:00",""
"4304504","8.8695","0.0003","18.2743","0.0006","20.1496","0.0007","90","","90","","90","","3265.93","0.19","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H44 Fe N4 Na O9 S -","- C23 H44 Fe N4 Na O9 S -","- C92 H176 Fe4 N16 Na4 O36 S4 -","4","1","","Hsiao-Wen Huang; Chih-Chin Tsou; Ting-Shen Kuo; Wen-Feng Liaw","New Members of a Class of Dinitrosyliron Complexes (DNICs): Interconversion and Spectroscopic Discrimination of the Anionic {Fe(NO)2}9[(NO)2Fe(C3H3N2)2]- and [(NO)2Fe(C3H3N2)(SR)]- (C3H3N2= Deprotonated Imidazole; R =tBu, Et, Ph)","Inorganic Chemistry","2008","47","","2196","2204","10.1021/ic702000y","","","0.71073","MoKα","","0.1286","0.0905","","","0.231","0.2699","","","","","","1.077","","","","has coordinates,has disorder","179083","2020-10-21","18:00:00",""
"4304506","9.4277","0.0003","15.2021","0.0005","22.2729","0.0007","90","","90","","90","","3192.17","0.18","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 Fe N4 Na O9 S -","- C25 H40 Fe N4 Na O9 S -","- C100 H160 Fe4 N16 Na4 O36 S4 -","4","1","","Hsiao-Wen Huang; Chih-Chin Tsou; Ting-Shen Kuo; Wen-Feng Liaw","New Members of a Class of Dinitrosyliron Complexes (DNICs): Interconversion and Spectroscopic Discrimination of the Anionic {Fe(NO)2}9[(NO)2Fe(C3H3N2)2]- and [(NO)2Fe(C3H3N2)(SR)]- (C3H3N2= Deprotonated Imidazole; R =tBu, Et, Ph)","Inorganic Chemistry","2008","47","","2196","2204","10.1021/ic702000y","","","0.71073","MoKα","","0.1271","0.0761","","","0.1752","0.207","","","","","","1.04","","","","has coordinates,has disorder","179083","2020-10-21","18:00:00",""
"4304511","6.1675","0.0008","11.9167","0.0015","18.033","0.002","90","","90","","90","","1325.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","trans-1,2-diaminocylohexane monoimine","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","","Azadeh Lalehzari; John Desper; Christopher J. Levy","Double-Stranded Monohelical Complexes from an Unsymmetrical Chiral Schiff-Base Ligand","Inorganic Chemistry","2008","47","","1120","1126","10.1021/ic702015u","","","0.71073","MoKα","","0.0567","0.0479","","","0.1163","0.1214","","","","","","1.095","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4304545","14.7471","0.0017","18","0.002","25.977","0.003","90","","90","","90","","6895.5","1.4","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H68 Au2 N4 O12 P4 -","- C75 H68 Au2 N4 O12 P4 -","- C300 H272 Au8 N16 O48 P16 -","4","1","","Tünde Tunyogi; Andrea Deák; Gábor Tárkányi; Péter Király; Gábor Pálinkás","Solvent-Assisted Spontaneous Resolution of a 16-Membered Ring Containing Gold(I) Showing Short Au...Au Aurophilic Interaction and a Figure-Eight Conformation","Inorganic Chemistry","2008","47","","2049","2055","10.1021/ic702059v","","","0.71073","","","0.0453","0.0403","","","0.0877","0.0904","","","","","","1.028","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304580","11.147","0.0004","14.0317","0.0007","18.9209","0.0009","90","","90","","90","","2959.4","0.2","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H37 Cl2 N5 O2 S2 Zn2 -","- C18 H37 Cl2 N5 O2 S2 Zn2 -","- C72 H148 Cl8 N20 O8 S8 Zn8 -","4","1","","Bijay Sarkar; Ben-Jie Liaw; Ching-Shiang Fang; C. W. Liu","Phosphonate- and Ester-Substituted 2-Cyanoethylene-1,1-Dithiolate Clusters of Zinc: Aerial CO2 Fixation and Unusual Binding Patterns","Inorganic Chemistry","2008","47","","2777","2785","10.1021/ic702126k","","","0.71073","MoKα","","0.1513","0.0614","","","0.1398","0.1741","","","","","","0.939","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304589","10.8561","0.0006","17.839","0.001","23.689","0.001","90","","90","","90","","4587.7","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","μ-Bis(trifluoromethanesulfonato-1κO:2κO')-μ-(bis(bis (o-methoxyphenoxy)phosphino-1κP:2κP')phenylamine)( tetrahydrofuran-κO)disilver","","- C40 H41 Ag2 F6 N O15 P2 S2 -","- C40 H41 Ag2 F6 N O15 P2 S2 -","- C160 H164 Ag8 F24 N4 O60 P8 S8 -","4","1","","Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Joel T. Mague; Heikki M. Tuononen","Bi-, Tetra-, and Hexanuclear AuI and Binuclear AgI Complexes and AgI Coordination Polymers Containing Phenylaminobis(phosphonite), PhN{P(OC6H4OMe-o)2}2, and Pyridyl Ligands","Inorganic Chemistry","2008","47","","2764","2776","10.1021/ic702133f","","","0.71073","MoKα","","0.0273","0.0247","","","0.0558","0.0569","","","","","","1.036","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304596","14.993","0.003","18.324","0.004","30.432","0.006","90","","90","","90","","8361","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H130 Cl4 N14 Ni3 O21 -","- C66 H128 Cl4 N14 Ni3 O21 -","- C264 H512 Cl16 N56 Ni12 O84 -","4","1","","Guang-Chuan Ou; Long Jiang; Xiao-Long Feng; Tong-Bu Lu","Spontaneous Resolution of a Racemic Nickel(II) Complex and Helicity Induction via Hydrogen Bonding: The Effect of Chiral Building Blocks on the Helicity of One-Dimensional Chains","Inorganic Chemistry","2008","47","","2710","2718","10.1021/ic7021424","","","0.71073","MoKα","","0.1252","0.059","","","0.1164","0.1387","","","","","","0.959","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304597","15.0034","0.0019","18.362","0.002","30.475","0.004","90","","90","","90","","8395.6","1.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H130 Cl4 N14 Ni3 O21 -","- C66 H128 Cl4 N14 Ni3 O21 -","- C264 H512 Cl16 N56 Ni12 O84 -","4","1","","Guang-Chuan Ou; Long Jiang; Xiao-Long Feng; Tong-Bu Lu","Spontaneous Resolution of a Racemic Nickel(II) Complex and Helicity Induction via Hydrogen Bonding: The Effect of Chiral Building Blocks on the Helicity of One-Dimensional Chains","Inorganic Chemistry","2008","47","","2710","2718","10.1021/ic7021424","","","0.71073","MoKα","","0.1423","0.0695","","","0.1403","0.1716","","","","","","1.033","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304598","9.2987","0.0011","14.2949","0.0018","23.931","0.003","90","","90","","90","","3181","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H45 Cl2 N7 Ni O8 -","- C22 H45 Cl2 N7 Ni O8 -","- C88 H180 Cl8 N28 Ni4 O32 -","4","1","","Guang-Chuan Ou; Long Jiang; Xiao-Long Feng; Tong-Bu Lu","Spontaneous Resolution of a Racemic Nickel(II) Complex and Helicity Induction via Hydrogen Bonding: The Effect of Chiral Building Blocks on the Helicity of One-Dimensional Chains","Inorganic Chemistry","2008","47","","2710","2718","10.1021/ic7021424","","","0.71073","MoKα","","0.0881","0.0461","","","0.0858","0.0995","","","","","","1.008","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304599","9.293","0.002","14.314","0.004","23.964","0.007","90","","90","","90","","3187.7","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H45 Cl2 N7 Ni O8 -","- C22 H45 Cl2 N7 Ni O8 -","- C88 H180 Cl8 N28 Ni4 O32 -","4","1","","Guang-Chuan Ou; Long Jiang; Xiao-Long Feng; Tong-Bu Lu","Spontaneous Resolution of a Racemic Nickel(II) Complex and Helicity Induction via Hydrogen Bonding: The Effect of Chiral Building Blocks on the Helicity of One-Dimensional Chains","Inorganic Chemistry","2008","47","","2710","2718","10.1021/ic7021424","","","0.71073","MoKα","","0.0745","0.0439","","","0.0873","0.1003","","","","","","1.045","","","","has coordinates","179083","2020-10-21","18:00:00",""
"4304600","9.3344","0.0016","14.565","0.003","23.97","0.004","90","","90","","90","","3258.9","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H45 Cl2 N7 Ni O8 -","- C22 H45 Cl2 N7 Ni O8 -","- C88 H180 Cl8 N28 Ni4 O32 -","4","1","","Guang-Chuan Ou; Long Jiang; Xiao-Long Feng; Tong-Bu Lu","Spontaneous Resolution of a Racemic Nickel(II) Complex and Helicity Induction via Hydrogen Bonding: The Effect of Chiral Building Blocks on the Helicity of One-Dimensional Chains","Inorganic Chemistry","2008","47","","2710","2718","10.1021/ic7021424","","","0.71073","MoKα","","0.151","0.0578","","","0.1199","0.155","","","","","","0.935","","","","has coordinates,has disorder","179084","2020-10-21","18:00:00",""
"4304625","10.483","0.004","17.586","0.006","29.606","0.01","90","","90","","90","","5458","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H81 Cl Fe N5 O -","- C60 H81 Cl Fe N5 O -","- C240 H324 Cl4 Fe4 N20 O4 -","4","1","","Remle Çelenligil-Çetin; Patrina Paraskevopoulou; Rupam Dinda; Richard J. Staples; Ekkehard Sinn; Nigam P. Rath; Pericles Stavropoulos","Synthesis, Characterization, and Reactivity of Iron Trisamidoamine Complexes That Undergo Both Metal- and Ligand-Centered Oxidative Transformations","Inorganic Chemistry","2008","47","","1165","1172","10.1021/ic702154z","","","0.71073","MoKα","","0.1706","0.0575","","","0.0801","0.1047","","","","","","0.674","","","","has coordinates","179084","2020-10-21","18:00:00",""
"4304714","9.8807","0.0009","14.111","0.0013","15.774","0.0014","90","","90","","90","","2199.3","0.3","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","compound 4","","- C19 H35 N P2 Pt S -","- C19 H35 N P2 Pt S -","- C76 H140 N4 P8 Pt4 S4 -","4","1","","Tülay A. Ateşin; Abdurrahman Ç. Ateşin; Karlyn Skugrud; William D. Jones","Understanding Selectivity in the Oxidative Addition of the Carbon-Sulfur Bonds of 2-Cyanothiophene to Pt(0)","Inorganic Chemistry","2008","47","","4596","4604","10.1021/ic702273a","","","0.71073","MoKα","","0.0285","0.0245","","","0.0578","0.061","","","","","","0.511","","","","has coordinates","179085","2020-10-21","18:00:00",""
"4304754","12.227","0.001","20.482","0.001","26.183","0.001","90","","90","","90","","6557.1","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(5,6-diphenyl-1,2,4-triazine-3-ketonato)bis(triphenylphosphine)- nitridorhenium(V) ethanol/water solvate","","- C68 H56 N7 O4 P2 Re -","- C68 H56 N7 O4 P2 Re -","- C272 H224 N28 O16 P8 Re4 -","4","1","","Elena López-Torres; Ulrich Abram","Rhenium Complexes with Triazine Derivatives Formed from Semicarbazones and Thiosemicarbazones","Inorganic Chemistry","2008","47","","2890","2896","10.1021/ic702326v","","","0.71073","MoKα","","0.067","0.0485","","","0.1168","0.1343","","","","","","0.905","","","","has coordinates,has disorder","179085","2020-10-21","18:00:00",""
"4304863","7.8585","0.0015","12.133","0.002","16.954","0.003","90","","90","","90","","1616.5","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Qiuwen Wang; Li Xiang; Haibin Song; Guofu Zi","Synthesis of Amidolanthanides with New Chiral Biaryl-Based NNO Ligands and Their Use as Catalysts for Enantioselective Hydroamination/Cyclization","Inorganic Chemistry","2008","47","","4319","4328","10.1021/ic702461f","","","0.71073","MoKα","","0.0507","0.0343","","","0.0831","0.0931","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4304865","12.5736","0.0007","19.1832","0.001","45.84","0.003","90","","90","","90","","11056.7","1.1","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C100 H136 N12 O4 Si8 Y4 -","- C100 H136 N12 O4 Si8 Y4 -","- C400 H544 N48 O16 Si32 Y16 -","4","1","","Qiuwen Wang; Li Xiang; Haibin Song; Guofu Zi","Synthesis of Amidolanthanides with New Chiral Biaryl-Based NNO Ligands and Their Use as Catalysts for Enantioselective Hydroamination/Cyclization","Inorganic Chemistry","2008","47","","4319","4328","10.1021/ic702461f","","","0.7107","MoKα","","0.0809","0.0606","","","0.1151","0.1238","","","","","","1.063","","","","has coordinates","179086","2020-10-21","18:00:00",""
"4304906","16.2302","0.0006","18.4725","0.0007","18.7583","0.0007","90","","90","","90","","5624","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H88 Al2 O4 Sm -","- C56 H88 Al2 O4 Sm -","- C224 H352 Al8 O16 Sm4 -","4","1","","Hanne-Marthe Sommerfeldt; Christian Meermann; Karl W. Törnroos; Reiner Anwander","Distinct Reaction Pathways of Peralkylated LnIIAlIII Heterobimetallic Complexes with Substituted Phenols","Inorganic Chemistry","2008","47","","4696","4705","10.1021/ic702517s","","","0.71073","MoKα","","0.0433","0.037","","","0.0935","0.0994","","","","","","1.088","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304929","11.0395","0.0002","13.4369","0.0002","22.4426","0.0004","90","","90","","90","","3329.06","0.1","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((1-(2',4',6'-trimethylbiphenyl-2)) (3-(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2')) (triazenido-N,N'))potassium","","- C39 H40 K N3 -","- C39 H40 K N3 -","- C156 H160 K4 N12 -","4","1","","Hyui Sul Lee; Sven-Oliver Hauber; Denis Vinduš; Mark Niemeyer","Isostructural Potassium and Thallium Salts of Sterically Crowded Triazenes: A Structural and Computational Study","Inorganic Chemistry","2008","47","","4401","4412","10.1021/ic800029z","","","0.71073","MoKα","","0.0562","0.035","","","0.0772","0.0833","","","","","","0.942","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4304934","10.9803","0.0019","13.5172","0.0015","22.695","0.003","90","","90","","90","","3368.5","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((1-(2',4',6'-trimethylbiphenyl-2)) (3-(2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl-2')) (triazenido-N,N'))thallium","","- C39 H40 N3 Tl -","- C39 H40 N3 Tl -","- C156 H160 N12 Tl4 -","4","1","","Hyui Sul Lee; Sven-Oliver Hauber; Denis Vinduš; Mark Niemeyer","Isostructural Potassium and Thallium Salts of Sterically Crowded Triazenes: A Structural and Computational Study","Inorganic Chemistry","2008","47","","4401","4412","10.1021/ic800029z","","","0.71073","MoKα","","0.0469","0.0352","","","0.0758","0.0804","","","","","","1.147","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4305012","9.6171","0.0002","14.5971","0.0005","16.3977","0.0004","90","","90","","90","","2301.94","0.11","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 Co N2 O6 -","- C23 H28 Co N2 O6 -","- C92 H112 Co4 N8 O24 -","4","1","","Jian Zhang; Emily Chew; Shumei Chen; Jimmy T. H. Pham; Xianhui Bu","Three-Dimensional Homochiral Transition-Metal Camphorate Architectures Directed by a Flexible Auxiliary Ligand","Inorganic Chemistry","2008","47","","3495","3497","10.1021/ic800195u","","","0.71073","MoKα","","0.058","0.0413","","","0.0845","0.1172","","","","","","0.992","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305039","6.2168","0.0007","16.4734","0.0018","21.668","0.002","90","","90","","90","","2219.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 Cu N O3 -","- C42 H62 Cu2 N2 O6 -","- C84 H124 Cu4 N4 O12 -","2","0.5","","Suribabu Jammi; Laxmidhar Rout; Prasenjit Saha; Vijay K. Akkilagunta; Sridhar Sanyasi; Tharmalingam Punniyamurthy","Synthesis, Structure and Application of Chiral Copper(II) Coordination Polymers for Asymmetric Acylation","Inorganic Chemistry","2008","47","","5093","5098","10.1021/ic800228c","","","0.71073","MoKα","","0.0489","0.036","","","0.0785","0.0848","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305073","13.619","0.005","18.299","0.005","20.249","0.005","90","","90","","90","","5046","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tetraethylammoniumtetrakis(cyclohexyl)Copper(III)porphyrinogen DCM solvated","","- C51 H74 Cl6 Cu N5 -","- C51 H74 Cl6 Cu N5 -","- C204 H296 Cl24 Cu4 N20 -","4","1","","Dibyendu Bhattacharya; Suman Maji; Kuntal Pal; Sabyasachi Sarkar","Formation of Superoxide Anion on Aerial Oxidation of Cu(II)-Porphyrinogen in the Synthesis of Tetrakis(cyclohexyl)porphyrinogenCu(III) Anion","Inorganic Chemistry","2008","47","","5036","5038","10.1021/ic800282j","","x-ray","0.71069","MoKα","","0.0569","0.0449","","","0.0903","0.0952","","","","","","0.992","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305132","11.037","0.008","21.149","0.014","36.69","0.02","90","","90","","90","","8564","10","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H68 N3 O Si3 Yb -","- C37 H68 N3 O Si3 Yb -","- C296 H544 N24 O8 Si24 Yb8 -","8","2","","Yunjun Wu; Shaowu Wang; Xiancui Zhu; Gaosheng Yang; Yun Wei; Lijun Zhang; Hai-bin Song","Synthesis, Characterization, and Catalytic Activity of Rare Earth Metal Amides Supported by a Diamido Ligand with a CH2SiMe2 Link","Inorganic Chemistry","2008","47","","5503","5511","10.1021/ic800496d","","","0.7107","MoKα","","0.0474","0.0425","","","0.0743","0.0765","","","","","","1.067","","","","has coordinates","179089","2020-10-21","18:00:00",""
"4305133","11.029","0.002","21.2","0.004","36.909","0.007","90","","90","","90","","8630","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H68 N3 O Si3 Y -","- C37 H68 N3 O Si3 Y -","- C296 H544 N24 O8 Si24 Y8 -","8","2","","Yunjun Wu; Shaowu Wang; Xiancui Zhu; Gaosheng Yang; Yun Wei; Lijun Zhang; Hai-bin Song","Synthesis, Characterization, and Catalytic Activity of Rare Earth Metal Amides Supported by a Diamido Ligand with a CH2SiMe2 Link","Inorganic Chemistry","2008","47","","5503","5511","10.1021/ic800496d","","","0.71073","MoKα","","0.0933","0.0857","","","0.2206","0.2304","","","","","","1.102","","","","has coordinates","179089","2020-10-21","18:00:00",""
"4305134","11.2552","0.0009","21.0568","0.0016","37.425","0.003","90","","90","","90","","8869.7","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H66 Dy N3 O Si3 -","- C37 H66 Dy N3 O Si3 -","- C296 H528 Dy8 N24 O8 Si24 -","8","2","","Yunjun Wu; Shaowu Wang; Xiancui Zhu; Gaosheng Yang; Yun Wei; Lijun Zhang; Hai-bin Song","Synthesis, Characterization, and Catalytic Activity of Rare Earth Metal Amides Supported by a Diamido Ligand with a CH2SiMe2 Link","Inorganic Chemistry","2008","47","","5503","5511","10.1021/ic800496d","","","0.71073","MoKα","","0.0349","0.0296","","","0.0716","0.0738","","","","","","1.057","","","","has coordinates","179089","2020-10-21","18:00:00",""
"4305135","11.2846","0.0014","21.076","0.003","37.567","0.005","90","","90","","90","","8935","2","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H68 N3 O Si3 Sm -","- C37 H68 N3 O Si3 Sm -","- C296 H544 N24 O8 Si24 Sm8 -","8","2","","Yunjun Wu; Shaowu Wang; Xiancui Zhu; Gaosheng Yang; Yun Wei; Lijun Zhang; Hai-bin Song","Synthesis, Characterization, and Catalytic Activity of Rare Earth Metal Amides Supported by a Diamido Ligand with a CH2SiMe2 Link","Inorganic Chemistry","2008","47","","5503","5511","10.1021/ic800496d","","","0.71073","MoKα","","0.0667","0.0406","","","0.0823","0.0935","","","","","","1.028","","","","has coordinates","179089","2020-10-21","18:00:00",""
"4305136","11.3055","0.0016","21.11","0.003","37.69","0.005","90","","90","","90","","8995","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H66 N3 Nd O Si3 -","- C37 H66.5 N3 Nd O Si3 -","- C296 H532 N24 Nd8 O8 Si24 -","8","2","","Yunjun Wu; Shaowu Wang; Xiancui Zhu; Gaosheng Yang; Yun Wei; Lijun Zhang; Hai-bin Song","Synthesis, Characterization, and Catalytic Activity of Rare Earth Metal Amides Supported by a Diamido Ligand with a CH2SiMe2 Link","Inorganic Chemistry","2008","47","","5503","5511","10.1021/ic800496d","","","0.71073","MoKα","","0.0906","0.0508","","","0.088","0.1009","","","","","","1.063","","","","has coordinates","179089","2020-10-21","18:00:00",""
"4305144","9.4352","0.0004","10.2972","0.0002","13.7511","0.0005","90","","90","","90","","1336","0.08","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H14 Al B5 N2 O10 -","- C4 H14 Al B5 N2 O10 -","- C16 H56 Al4 B20 N8 O40 -","4","1","","Guo-Ming Wang; Jin-Hua Li; Hai-Lan Huang; Hui Li; Jing Zhang","QD-2: A Novel Open-Framework Aluminoborate with Intersecting Three-Dimensional Helical Channels","Inorganic Chemistry","2008","47","","5039","5041","10.1021/ic800593q","","","0.71073","MoKα","","0.033","0.0319","","","0.0881","0.0895","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4305185","5.8483","0.0014","14.582","0.004","15.155","0.004","90","","90","","90","","1292.4","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N3 O -","- C14 H17 N3 O -","- C56 H68 N12 O4 -","4","1","","Christopher W. Belock; Anil Çetin; Natalie V. Barone; Christopher J. Ziegler","Transition Metal Coordination Chemistry of N,N-Bis(2-{pyrid-2-ylethyl})hydroxylamine","Inorganic Chemistry","2008","47","","7114","7120","10.1021/ic702406n","","","0.71073","MoKα","","0.0481","0.0413","","","0.0923","0.0959","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4305264","8.772","0.003","25.076","0.006","43.581","0.011","90","","90","","90","","9586","5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1-W","","","- C36 H81 Cl2 O3 Si3 W -","- C36 H81 Cl2 O3 Si3 W -","- C288 H648 Cl16 O24 Si24 W8 -","8","2","","David S. Kuiper; Richard E. Douthwaite; Ana-Rita Mayol; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari; Oanh P. Lam; Karsten Meyer","Molybdenum and Tungsten Structural Differences are Dependent on ndz2/(n+1)s Mixing: Comparisons of (silox)3MX/R (M = Mo, W; silox =tBu3SiO)","Inorganic Chemistry","2008","47","","7139","7153","10.1021/ic800139c","","","0.71073","MoKα","","0.1102","0.0655","","","0.1397","0.1576","","","","","","1.048","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305277","7.9109","0.0001","10.4906","0.0002","18.9281","0.0003","90","","90","","90","","1570.84","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Cu4 N9 O2 -","- C5 H16 Cu4 N9 O2 -","- C20 H64 Cu16 N36 O8 -","4","1","","Hong Deng; Yongcai Qiu; Carole Daiguebonne; Nicolas Kerbellec; Olivier Guillou; Matthias Zeller; Stuart R. Batten","Synthesis of New Copper Cyanide complexes via the Transformation of Organonitrile to Inorganic Cyanide","Inorganic Chemistry","2008","47","","5866","5872","10.1021/ic800164b","","","0.71073","MoKα","","0.0663","0.0391","","","0.0658","0.0741","","","","","","0.988","","","","has coordinates","179090","2020-10-21","18:00:00",""
"4305367","9.8091","0.0002","11.292","0.0001","20.0011","0.0004","90","","90","","90","","2215.41","0.07","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Ir(BTSE)(2-isopropoxy-pyridine)(H)(Cl)]","[Ir(BTSE)(2-isopropoxy-pyridine)(H)(Cl)] 7","","- C18 H33 Cl Ir N O3 S2 -","- C18 H33 Cl Ir N O3 S2 -","- C72 H132 Cl4 Ir4 N4 O12 S8 -","4","1","","Thomas Schaub; Yael Diskin-Posner; Udo Radius; David Milstein","Synthesis, Structure, and Reactivity of Rhodium and Iridium Complexes of the Chelating Bis-Sulfoxide tBuSOC2H4SOtBu. Selective O-H Activation of 2-Hydroxy-isopropyl-pyridine","Inorganic Chemistry","2008","47","","6502","6512","10.1021/ic800354q","","","0.71073","MoKα","","0.027","0.0232","","","0.044","0.0453","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4305378","10.9198","0.0005","12.8986","0.0006","14.6494","0.0007","90","","90","","90","","2063.37","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 B F4 N3 Pd -","- C20 H24 B F4 N3 Pd -","- C80 H96 B4 F16 N12 Pd4 -","4","1","","Hong Mei Peng; Guoyong Song; Yongxin Li; Xingwei Li","Synthesis, Structures, and Solution Dynamics of Palladium Complexes of Quinoline-Functionalized N-Heterocyclic Carbenes","Inorganic Chemistry","2008","47","","8031","8043","10.1021/ic800361v","","","0.71073","MoKα","","0.0797","0.0739","","","0.2123","0.2245","","","","","","1.088","","","","has coordinates,has disorder","179091","2020-10-21","18:00:00",""
"4305381","9.0602","0.0004","17.4247","0.0017","7.7457","0.0016","90","","90","","90","","1222.8","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 H10 B10 I2 -","- C2 H10 B10 I2 -","- C8 H40 B40 I8 -","4","1","","Gemma Barberà; Albert Vaca; Francesc Teixidor; Reijo Sillanpää; Raikko Kivekäs; Clara Viñas","Designed Synthesis of New ortho-Carborane Derivatives: from Mono- to Polysubstituted Frameworks","Inorganic Chemistry","2008","47","","7309","7316","10.1021/ic800362z","","","0.71069","MoKα","","0.0387","0.0332","","","0.0847","0.0876","","","","","","1.071","","","","has coordinates","179091","2020-10-21","18:00:00",""
"4305499","9.8878","0.0002","20.1939","0.0003","21.1225","0.0004","90","","90","","90","","4217.6","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H28 Mn3 N12 O10 -","- C44 H24 Mn3 N12 O10 -","- C176 H96 Mn12 N48 O40 -","4","1","","Yan-Feng Yue; Jue Liang; En-Qing Gao; Chen-Jie Fang; Zheng-Guang Yan; Chun-Hua Yan","Supramolecular Engineering of a 2D Kagomé Lattice: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2008","47","","6115","6117","10.1021/ic800497n","","","0.71073","MoKα","","0.0804","0.0379","","","0.0778","0.0861","","","","","","0.92","","","","has coordinates,has disorder","179092","2020-10-21","18:00:00",""
"4305514","7.4212","0.0003","8.8688","0.0003","31.3964","0.0012","90","","90","","90","","2066.42","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","6","[(1,3,9-trimethylxanthine-/KN^7^)(NH~3~)~5~Ru]^.^[ZnCl~4~]^.^Cl","","- C8 H25 Cl5 N9 O2 Ru Zn -","- C8 H25 Cl5 N9 O2 Ru Zn -","- C32 H100 Cl20 N36 O8 Ru4 Zn4 -","4","1","","Karsten Krogh-Jespersen; Robert T. Stibrany; Elizabeth John; John D. Westbrook; Thomas J. Emge; Michael J. Clarke; Joseph A. Potenza; Harvey J. Schugar","Solid-State Changes in Ligand-to-Metal Charge-Transfer Spectra of (NH3)5RuIII(2,4-dihydroxybenzoate) and (NH3)5RuIII(xanthine) Chromophores","Inorganic Chemistry","2008","47","","9813","9827","10.1021/ic800511g","","","1.54178","CuKα","","0.0793","0.0787","","","0.1846","0.1849","","","","","","1","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305570","16.6295","0.0003","17.0758","0.0004","18.9529","0.0004","90","","90","","90","","5381.9","0.2","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[N-methyl-N,N',N'-tris(2-pyridylmethylpropane-1,3-diamine) Mn Cl] (PF6)2","","- C46 H57 Cl2 F12 Mn2 N11 P2 -","- C46 H57 Cl2 F12 Mn2 N11 P2 -","- C184 H228 Cl8 F48 Mn8 N44 P8 -","4","1","","Christelle Hureau; Sihem Groni; Régis Guillot; Geneviève Blondin; Carole Duboc; Elodie Anxolabéhère-Mallart","Syntheses, X-ray Structures, Solid State High-Field Electron Paramagnetic Resonance, and Density-Functional Theory Investigations on Chloro and Aqua MnII Mononuclear Complexes with Amino-Pyridine Pentadentate Ligands","Inorganic Chemistry","2008","47","","9238","9247","10.1021/ic800551u","","x-ray","0.71073","MoKα","","0.0468","0.0351","","","0.0849","0.0923","","","","","","1.018","","","","has coordinates","179093","2020-10-21","18:00:00",""
"4305675","8.9792","0.0006","10.0002","0.0007","26.8402","0.0018","90","","90","","90","","2410.1","0.3","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N2 O6 P2 Zn2 -","- C18 H25 Cl N2 O6 P2 Zn2 -","- C72 H100 Cl4 N8 O24 P8 Zn8 -","4","1","","Xun-Gao Liu; Song-Song Bao; Yi-Zhi Li; Li-Min Zheng","Polymorphism in Homochiral Zinc Phosphonates","Inorganic Chemistry","2008","47","","5525","5527","10.1021/ic800663t","","","0.71073","MoKα","","0.0551","0.0367","","","0.0488","0.0524","","","","","","0.904","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4305676","8.9611","0.001","9.9772","0.0012","26.791","0.003","90","","90","","90","","2395.3","0.5","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N2 O6 P2 Zn2 -","- C18 H25 Cl N2 O6 P2 Zn2 -","- C72 H100 Cl4 N8 O24 P8 Zn8 -","4","1","","Xun-Gao Liu; Song-Song Bao; Yi-Zhi Li; Li-Min Zheng","Polymorphism in Homochiral Zinc Phosphonates","Inorganic Chemistry","2008","47","","5525","5527","10.1021/ic800663t","","","0.71073","MoKα","","0.0882","0.0589","","","0.1088","0.115","","","","","","1.02","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4305692","9.1855","0.0018","10.272","0.002","28.47","0.006","90","","90","","90","","2686.2","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Fe2 N O8 S2 -","- C25 H17 Fe2 N O8 S2 -","- C100 H68 Fe8 N4 O32 S8 -","4","1","","Gang Si; Wen-Guang Wang; Hong-Yan Wang; Chen-Ho Tung; Li-Zhu Wu","Facile Synthesis and Functionality-Dependent Electrochemistry of Fe-Only Hydrogenase Mimics","Inorganic Chemistry","2008","47","","8101","8111","10.1021/ic800676y","","","0.71073","MoKα","","0.0383","0.0344","","","0.0813","0.0838","","","","","","1.055","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4305831","6.407","0.005","14.418","0.005","26.265","0.005","90","0.005","90","0.005","90","0.005","2426","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N3 O6 Re -","- C19 H21 Cl N3 O6 Re -","- C76 H84 Cl4 N12 O24 Re4 -","4","1","","Sucharita Basak; Kajal Krishna Rajak","Synthesis, Structure, and Spectroscopic Properties of Chiral Oxorhenium(V) Complexes Incorporating Polydentate Ligands Derived froml-Amino Acids: A Density Functional Theory/Time-Dependent Density Functional Theory Investigation","Inorganic Chemistry","2008","47","","8813","8822","10.1021/ic800764n","","","0.71073","MoKα","","0.058","0.0513","","","0.1298","0.1333","","","","","","1.095","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305843","13.3346","0.001","13.4613","0.0009","17.5115","0.001","90","","90","","90","","3143.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 Co2 N2 O10 -","- C28 H42 Co2 N2 O10 -","- C112 H168 Co8 N8 O40 -","4","1","","Shumei Chen; Jian Zhang; Xianhui Bu","Ionothermal Synthesis of Homochiral Framework with Acetate-Pillared Cobalt-Camphorate Architecture","Inorganic Chemistry","2008","47","","5567","5569","10.1021/ic8007798","","","0.71073","MoKα","","0.0836","0.0628","","","0.1655","0.1766","","","","","","1.076","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305867","14.2503","0.0005","17.8678","0.0007","19.015","0.0009","90","","90","","90","","4841.6","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H76 N4 O3 Si2 Sr -","- C42 H76 N4 O3 Si2 Sr -","- C168 H304 N16 O12 Si8 Sr4 -","4","1","","Anthony G. M. Barrett; Mark R. Crimmin; Michael S. Hill; Peter B. Hitchcock; Gabriele Kociok-Köhn; Panayiotis A. Procopiou","Triazenide Complexes of the Heavier Alkaline Earths: Synthesis, Characterization, And Suitability for Hydroamination Catalysis","Inorganic Chemistry","2008","47","","7366","7376","10.1021/ic800789x","","","0.71073","MoKα","","0.113","0.06","","","0.1068","0.1247","","","","","","1.026","","","","has coordinates","179096","2020-10-21","18:00:00",""
"4305929","11.6618","0.0001","14.5179","0.0002","22.3442","0.0003","90","","90","","90","","3782.98","0.08","173","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H42 N2 Pt -","- C48 H42 N2 Pt -","- C192 H168 N8 Pt4 -","4","1","","Christopher J. Adams; Natalie Fey; Zoë A. Harrison; Igor V. Sazanovich; Michael Towrie; Julia A. Weinstein","Photophysical Properties of Platinum(II)-Acetylide Complexes: the Effect of a Strongly Electron-Accepting Diimine Ligand on Excited-State Structure","Inorganic Chemistry","2008","47","","8242","8257","10.1021/ic800850h","","","0.71073","MoKα","","0.0399","0.0265","","","0.0418","0.0435","","","","","","0.915","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306053","16.546","0.004","19.76","0.005","39.363","0.006","90","","90","","90","","12870","5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","tetra[(fac-tricarbonyl-(2,2'bipyridine)-rhenium(I)]- -(5-10-15-20-tetra(4'pyridyl)porphyrine) tetratriflate","","- C96 H58 F12 N16 O24 Re4 S4 -","- C96 H58 F12 N16 O24 Re4 S4 -","- C384 H232 F48 N64 O96 Re16 S16 -","4","1","","Massimo Casanova; Ennio Zangrando; Elisabetta Iengo; Enzo Alessio; Maria Teresa Indelli; Franco Scandola; Michele Orlandi","Structural and Photophysical Characterization of Multichromophoric Pyridylporphyrin-Rhenium(I) Conjugates","Inorganic Chemistry","2008","47","","10407","10418","10.1021/ic800971e","","","1.54178","CuKα","","0.1217","0.0858","","","0.2245","0.2641","","","","","","1.006","","","","has coordinates","179098","2020-10-21","18:00:00",""
"4306079","11.1371","0.0007","17.0011","0.001","25.8204","0.0016","90","","90","","90","","4888.9","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[MeSi(NPtBu2)3Li3(Et2O)3]","","","- C37 H87 Li3 N3 O3 P3 Si -","- C37 H87 Li3 N3 O3 P3 Si -","- C148 H348 Li12 N12 O12 P12 Si4 -","4","1","","Anukul Jana; Gerald Schwab; Herbert W. Roesky; Dietmar Stalke","Functionalization of Aminophosphanes: Synthesis and X-Ray Crystal Structure of Novel Dilithium and Trilithium Complexes Containing Silicon-Fused Heteronuclear SiN2PLi Five-Membered Rings","Inorganic Chemistry","2008","47","","8990","8994","10.1021/ic800995h","","","0.71073","MoKα","","0.0621","0.0492","","","0.1382","0.1573","","","","","","1.088","","","","has coordinates,has disorder","179098","2020-10-21","18:00:00",""
"4306131","5.0972","0.0005","11.46","0.0011","18.1004","0.0013","90","","90","","90","","1057.32","0.16","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Co O9 -","- C5 H16 Co O9 -","- C20 H64 Co4 O36 -","4","1","","Yue-Qing Zheng; Jian-Li Lin; Wei Xu; Hong-Zhen Xie; Jie Sun; Xian-Wen Wang","A Family of New Glutarate Compounds: Synthesis, Crystal Structures of: Co(H2O)5L(1), Na2[CoL2] (2), Na2[L(H2L)4/2] (3), {[Co3(H2O)6L2](HL)2}.4H2O (4), {[Co3(H2O)6L2](HL)2}.10H2O (5), {[Co3(H2O)6L2]L2/2}.4H2O (6), and Na2{[Co3(H2O)2]L8/2].6H2O (7), and Magnetic Properties of 1 and 2 with H2L = HOOC-(CH2)3-COOH","Inorganic Chemistry","2008","47","","10280","10287","10.1021/ic801053p","","","0.71073","MoKα","","0.0319","0.0244","","","0.0571","0.06","","","","","","1.039","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4306176","6.025","0.003","8.838","0.005","9.402","0.005","90","","90","","90","","500.6","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H5 N O2 S Zn -","- C3 H5 N O2 S Zn -","- C12 H20 N4 O8 S4 Zn4 -","4","1","","Jean-Noël Rebilly; Paul W. Gardner; George R. Darling; John Bacsa; Matthew J. Rosseinsky","Chiral II-VI Semiconductor Nanostructure Superlattices Based on an Amino Acid Ligand","Inorganic Chemistry","2008","47","","9390","9399","10.1021/ic801097w","","","0.671","synchrotron","","0.1414","0.065","","","0.1292","0.1611","","","","","","0.915","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4306177","5.6307","0.0011","9.4827","0.0019","9.5418","0.0019","90","","90","","90","","509.48","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H5 Cd N O2 S -","- C3 H5 Cd N O2 S -","- C12 H20 Cd4 N4 O8 S4 -","4","1","","Jean-Noël Rebilly; Paul W. Gardner; George R. Darling; John Bacsa; Matthew J. Rosseinsky","Chiral II-VI Semiconductor Nanostructure Superlattices Based on an Amino Acid Ligand","Inorganic Chemistry","2008","47","","9390","9399","10.1021/ic801097w","","","0.691","synchrotron","","0.0197","0.0183","","","0.0411","0.0415","","","","","","1.054","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4306184","13.649","0.003","20.164","0.004","25.5","0.005","90","","90","","90","","7018","2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(C6H6)Cu(CNArMes2)3]OTf","","","- C82 H81 Cu F3 N3 O3 S -","- C82 H81 Cu F3 N3 O3 S -","- C328 H324 Cu4 F12 N12 O12 S4 -","4","1","","Brian J. Fox; Queena Y. Sun; Antonio G. DiPasquale; Alexander R. Fox; Arnold L. Rheingold; Joshua S. Figueroa","Solution Behavior and Structural Properties of Cu(I) Complexes Featuringm-Terphenyl Isocyanides","Inorganic Chemistry","2008","47","","9010","9020","10.1021/ic8010986","","","0.71073","MoKα","","0.0831","0.0576","","","0.1322","0.1467","","","","","","1.008","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4306195","10.972","0.003","11.466","0.003","13.842","0.004","90","","90","","90","","1741.4","0.8","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cu N4 O6 V2 -","- C12 H16 Cu N4 O6 V2 -","- C48 H64 Cu4 N16 O24 V8 -","4","1","","Thushitha Mahenthirarajah; Yang Li; Philip Lightfoot","Hydrothermal Synthesis of Vanadium Oxyfluoride Chains Incorporating Covalently Bound Copper Coordination Complexes","Inorganic Chemistry","2008","47","","9097","9102","10.1021/ic801106h","","","0.71073","MoKα","","0.0894","0.0658","","","0.1329","0.1424","","","","","","1.028","","","","has coordinates","179099","2020-10-21","18:00:00",""
"4306318","9.7337","0.0007","11.8884","0.0009","23.3608","0.0017","90","","90","","90","","2703.3","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 Cl2 Ir N7 -","- C29 H22 Cl2 Ir N7 -","- C116 H88 Cl8 Ir4 N28 -","4","1","","Stefano Stagni; Silvia Colella; Antonio Palazzi; Giovanni Valenti; Stefano Zacchini; Francesco Paolucci; Massimo Marcaccio; Rodrigo Q. Albuquerque; Luisa De Cola","Essential Role of the Ancillary Ligand in the Color Tuning of Iridium Tetrazolate Complexes","Inorganic Chemistry","2008","47","","10509","10521","10.1021/ic801157k","","","0.71073","MoKα","","0.0534","0.0403","","","0.0714","0.0754","","","","","","1.081","","","","has coordinates","179101","2020-10-21","18:00:00",""
"4306338","11.85","0.004","16.419","0.005","25.676","0.008","90","","90","","90","","4996","3","208","2","208","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(ipapdpm)CuCl","","","- C24 H30 Cl Cu N4 O3.5 -","- C24 H30 Cl Cu N4 O3.5 -","- C192 H240 Cl8 Cu8 N32 O28 -","8","2","","Van S. Thoi; Jay R. Stork; Edwards T. Niles; Ezra C. Depperman; David L. Tierney; Seth M. Cohen","Diamidodipyrrins: Versatile Bipyrrolic Ligands with Multiple Metal Binding Modes","Inorganic Chemistry","2008","47","","10533","10541","10.1021/ic8011876","","","0.71073","MoKα","","0.0605","0.0445","","","0.0985","0.1078","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306412","7.912","0.004","13.222","0.006","22.398","0.011","90","","90","","90","","2343","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","AQHNH(CH2CH3)CO.H2O-(5)","","","- C25 H31 N O8 -","- C25 H31 N O8 -","- C100 H124 N4 O32 -","4","1","","Mariappan Kadarkaraisamy; Gerald Caple; Andrea R. Gorden; Marie A. Squire; Andrew G. Sykes","Large Amplitude, Proton- and Cation-Activated Latch-Type Mechanical Switches: O-Protonated Amides Stabilized by Intramolecular, Low-Barrier Hydrogen Bonds within Macrocycles","Inorganic Chemistry","2008","47","","11644","11655","10.1021/ic801238a","","","0.71073","MoKα","","0.0271","0.0261","","","0.0667","0.0675","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4306505","8.904","0.004","13.909","0.006","17.082","0.008","90","","90","","90","","2115.5","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Cl2 N2 O3 Zn -","- C16 H26 Cl2 N2 O3 Zn -","- C64 H104 Cl8 N8 O12 Zn4 -","4","1","","Bi-Xue Zhu; Qi-Long Zhang; Yun-Qian Zhang; Tao Zhu; Jack K. Clegg; Leonard F. Lindoy; Gang Wei","Four Zinc(II) Helical Coordination Polymers and 78-Membered Six-Node Zinc Metallacycle Assembled from Diastereopure N,N'-Bis(acetylacetone)cyclohexanediimine","Inorganic Chemistry","2008","47","","10053","10061","10.1021/ic801329g","","","0.71073","MoKα","","0.0857","0.0541","","","0.1504","0.1648","","","","","","1.082","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4306506","8.8874","0.0005","13.7594","0.0007","17.0043","0.0009","90","","90","","90","","2079.38","0.19","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Cl2 N2 O3 Zn -","- C16 H26 Cl2 N2 O3 Zn -","- C64 H104 Cl8 N8 O12 Zn4 -","4","1","","Bi-Xue Zhu; Qi-Long Zhang; Yun-Qian Zhang; Tao Zhu; Jack K. Clegg; Leonard F. Lindoy; Gang Wei","Four Zinc(II) Helical Coordination Polymers and 78-Membered Six-Node Zinc Metallacycle Assembled from Diastereopure N,N'-Bis(acetylacetone)cyclohexanediimine","Inorganic Chemistry","2008","47","","10053","10061","10.1021/ic801329g","","","0.71073","MoKα","","0.0467","0.0429","","","0.1081","0.1107","","","","","","1.02","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4306549","8.6904","0.0004","9.6874","0.0005","14.6214","0.0007","90","","90","","90","","1230.94","0.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Cl4 Ga N S2 -","- C6 H4 Cl4 Ga N S2 -","- C24 H16 Cl16 Ga4 N4 S8 -","4","1","","Maarit Risto; Abdeljalil Assoud; Stephen M. Winter; Raija Oilunkaniemi; Risto S. Laitinen; Richard T. Oakley","Heavy Atom Analogues of 1,2,3-Dithiazolylium Salts: Preparation, Structures and Redox Chemistry","Inorganic Chemistry","2008","47","","10100","10109","10.1021/ic8013738","","","0.71073","MoKα","","0.0339","0.027","","","0.06","0.0642","","","","","","1.028","","","","has coordinates","179103","2020-10-21","18:00:00",""
"4306665","9.521","0.003","19.556","0.002","8.6254","0.0016","90","","90","","90","","1606","0.6","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C7 H22 Cl3 Co Cu N5 O2 S -","- C7 H22 Cl3 Co Cu N5 O2 S -","- C28 H88 Cl12 Co4 Cu4 N20 O8 S4 -","4","1","","Takashi Aridomi; Asako Igashira-Kamiyama; Takumi Konno","Control of 1D Wave versus 2D Honeycomb CoIIICdIICuI Heterotrimetallic Architectures by ΔL-ΛL Diastereoisomerism of l-Cysteinatocobalt(III) Building Units","Inorganic Chemistry","2008","47","","10202","10204","10.1021/ic801495h","","","0.71069","MoKα","","0.0811","0.0376","","","0.071","0.0809","","","","","","0.976","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306666","10.634","0.003","18.781","0.003","8.897","0.003","90","","90","","90","","1776.9","0.8","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C7 H22 Cl3 Co Cu N5 O2 S -","- C7 H22 Cl3 Co Cu N5 O2 S -","- C28 H88 Cl12 Co4 Cu4 N20 O8 S4 -","4","1","","Takashi Aridomi; Asako Igashira-Kamiyama; Takumi Konno","Control of 1D Wave versus 2D Honeycomb CoIIICdIICuI Heterotrimetallic Architectures by ΔL-ΛL Diastereoisomerism of l-Cysteinatocobalt(III) Building Units","Inorganic Chemistry","2008","47","","10202","10204","10.1021/ic801495h","","","0.71069","MoKα","","0.0537","0.0367","","","0.0978","0.106","","","","","","1.091","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306684","11.5356","0.0015","12.1675","0.0016","13.2211","0.0017","90","","90","","90","","1855.7","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H26 Cl2 P2 Ta -","- C13 H26 Cl2 P2 Ta -","- C52 H104 Cl8 P8 Ta4 -","4","1","","Wontae Noh; Gregory S. Girolami","Mono(cycloheptatrienyl) Tantalum Chemistry: Synthesis and Characterization of New Tantalum Halide, Hydride, and Alkyl Species","Inorganic Chemistry","2008","47","","10682","10691","10.1021/ic8015035","","","0.71073","MoKα","","0.045","0.0324","","","0.0629","0.0654","","","","","","1.013","","","","has coordinates","179104","2020-10-21","18:00:00",""
"4306794","5.107","0.0012","10.461","0.003","18.714","0.005","90","","90","","90","","999.8","0.5","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 Cd N2 O4 P -","- C7 H11 Cd N2 O4 P -","- C28 H44 Cd4 N8 O16 P4 -","4","1","","Shou-Zeng Hou; Deng-Ke Cao; Yi-Zhi Li; Li-Min Zheng","Chiral-Layered Metal Phosphonate Formed via Spontaneous Resolution Showing Dehydration-Induced Antiferromagnetic to Ferromagnetic Transformation","Inorganic Chemistry","2008","47","","10211","10213","10.1021/ic801655a","","","0.71073","MoKα","","0.0283","0.0278","","","0.0745","0.0749","","","","","","1.056","","","","has coordinates","179105","2020-10-21","18:00:00",""
"4306823","11.1981","0.0004","19.2273","0.0005","24.783","0.0008","90","","90","","90","","5336","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H62 Cl2 Cu N12 O33 -","- C36 H52 Cl2 Cu N12 O33 -","- C144 H208 Cl8 Cu4 N48 O132 -","4","1","","Donatella Armentano; Nadia Marino; Teresa F. Mastropietro; José Martínez-Lillo; Joan Cano; Miguel Julve; Francesc Lloret; Giovanni De Munno","Self-Assembly of a Chiral Carbonate- and Cytidine-Containing Dodecanuclear Copper(II) Complex: a Multiarm-Supplied Globular Capsule","Inorganic Chemistry","2008","47","","10229","10231","10.1021/ic801815s","","","0.71073","MoKα","","0.0688","0.0554","","","0.1652","0.1777","","","","","","1.048","","","","has coordinates","179106","2020-10-21","18:00:00",""
"4306843","17.289","0.002","22.316","0.004","8.866","0.001","90","","90","","90","","3420.7","0.8","173.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 Cl5 Cu N6 O6 -","- C25 H38 Cl5 Cu N6 O6 -","- C100 H152 Cl20 Cu4 N24 O24 -","4","1","","Masato Kujime; Takuya Kurahashi; Masaaki Tomura; Hiroshi Fujii","63Cu NMR Spectroscopy of Copper(I) Complexes with Various Tridentate Ligands: CO as a Useful 63Cu NMR Probe for Sharpening 63Cu NMR Signals and Analyzing the Electronic Donor Effect of a Ligand","Inorganic Chemistry","2007","46","","541","551","10.1021/ic060745r","","","0.7107","MoKα","","","0.0429","","","","0.1109","","","","","","1.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4306955","7.999","0.0003","23.0146","0.0008","8.709","0.0003","90","","90","","90","","1603.27","0.1","120","0.2","120","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(dimethylsilyl)(dimethylfluorosilyl)niobocene hydrid","bis(cyclopentadienyl)(dimethylsilyl) (dimethylfluorosilyl)(hydrido) niobium (V)","","- C14 H23 F Nb Si2 -","- C14 H23 F Nb Si2 -","- C56 H92 F4 Nb4 Si8 -","4","1","","Konstantin Yu. Dorogov; Muhammed Yousufuddin; Nam-Nhat Ho; Andrei V. Churakov; Lyudmila G. Kuzmina; Arthur J. Schultz; Sax A. Mason; Judith A. K. Howard; Dmitry A. Lemenovskii; Robert Bau; Georgii I. Nikonov","Syntheses and Structures of Asymmetric Bis(silyl) Niobocene Hydrides","Inorganic Chemistry","2007","46","","147","160","10.1021/ic061314b","","","0.71073","MoKα","","0.0278","0.0262","","","0.0643","0.0653","","","","","","1.053","","","","has coordinates","179107","2020-10-21","18:00:00",""
"4306993","8.467","0.005","11.6","0.007","27.87","0.016","90","","90","","90","","2737","3","110","2","110","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 Br Cu N4 Ni2 O4 S4 -","- C20 H40 Br Cu N4 Ni2 O4 S4 -","- C80 H160 Br4 Cu4 N16 Ni8 O16 S16 -","4","1","","Stephen P. Jeffery; Michael L. Singleton; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Control of S-Based Aggregation: Designed Synthesis of NiM2 and Ni2M Trinuclear Complexes","Inorganic Chemistry","2007","46","","179","185","10.1021/ic061475f","","","0.71073","MoKα","","0.1353","0.077","","","0.1451","0.1682","","","","","","1.019","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4307132","8.0868","0.0005","9.2038","0.0005","27.511","0.002","90","","90","","90","","2047.6","0.2","298.1","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Cl2 F3 N4 O4 Ru S -","- C16 H11 Cl2 F3 N4 O4 Ru S -","- C64 H44 Cl8 F12 N16 O16 Ru4 S4 -","4","1","","Hirotaka Nagao; Keiji Enomoto; Yuuki Wakabayashi; Gen Komiya; Toshiyuki Hirano; Takao Oi","Synthesis of Nitrosylruthenium Complexes Containing 2,2':6',2''-Terpyridine by Reactions of Alkoxo Complexes with Acids","Inorganic Chemistry","2007","46","","1431","1439","10.1021/ic061644w","","","0.7107","MoKα","","","0.043","","","","0.116","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4307245","8.6825","0.0005","11.6053","0.0007","17.119","0.001","90","","90","","90","","1724.96","0.18","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 Cl2 N Ru S2 -","- C13 H21 Cl2 N Ru S2 -","- C52 H84 Cl8 N4 Ru4 S8 -","4","1","","Elaine Phuay Leng Tay; Seah Ling Kuan; Weng Kee Leong; Lai Yoong Goh","Synthetic and X-ray Structural and Reactivity Studies of Cp*RuIV Complexes Containing Bidentate Dithiocarbonate, Xanthate, Carbonate, and Phosphinate Ligands (Cp* = η5-C5Me5)","Inorganic Chemistry","2007","46","","1440","1450","10.1021/ic061781t","","","0.71073","MoKα","","0.0631","0.0444","","","0.0688","0.0734","","","","","","0.869","","","","has coordinates","179110","2020-10-21","18:00:00",""
"4307278","9.646","0.001","9.656","0.002","16.592","0.003","90","","90","","90","","1545.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl2 S Sn -","- C14 H14 Cl2 S Sn -","- C56 H56 Cl8 S4 Sn4 -","4","1","","Teresita Munguia; Marcela López-Cardoso; Francisco Cervantes-Lee; Keith H. Pannell","Intramolecular Chalcogen-Tin Interactions in (o-MeE-C6H4)CH2SnPh3-nCln (E = S, O; n= 0, 1, 2), Characterized by X-ray Diffraction and 119Sn Solution and Solid-State NMR","Inorganic Chemistry","2007","46","","1305","1314","10.1021/ic061811s","","","0.71073","MoKα","","0.0381","0.0376","","","0.0997","0.1005","","","","","","0.986","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4307330","13.2328","0.0018","13.365","0.002","12.723","0.002","90","","90","","90","","2250.1","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 Cd Co N8 O4 S4 -","- C10 H21 Cd Co N8 O4 S4 -","- C40 H84 Cd4 Co4 N32 O16 S16 -","4","1","","Takashi Aridomi; Tatsuya Kawamoto; Takumi Konno","Controlled Binding of al-Cysteinato Cobalt(III) Octahedron to a Cadmium(II) Center","Inorganic Chemistry","2007","46","","1343","1353","10.1021/ic061868e","","","0.71069","MoKα","","0.1555","0.0461","","","0.0894","0.1119","","","","","","1.003","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307379","11.7794","0.0008","18.399","0.001","22.135","0.002","90","","90","","90","","4797.3","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Bromo-1κ-μ-bromo-μ(bis(bis-o-methoxyphenoxy)phosphino) phenylamine-1κP:2κP')(2,2'-bipyridyl-2κ^2^N,N') dicopper(I) Chloroform solvate","","- C45 H42 Br2 Cl3 Cu2 N3 O8 P2 -","- C45 H42 Br2 Cl3 Cu2 N3 O8 P2 -","- C180 H168 Br8 Cl12 Cu8 N12 O32 P8 -","4","1","","Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Paulose P. George; Joel T. Mague","Di- and Tetranuclear Copper(I) Complexes Containing Phenylaminobis(phosphonite), PhN{P(OC6H4OMe-o)2}2, and Their Reactivity toward Bipyridyl Ligands","Inorganic Chemistry","2007","46","","848","858","10.1021/ic061883j","","","0.71073","MoKα","","0.0486","0.0391","","","0.09","0.0945","","","","","","1.036","","","","has coordinates,has disorder","179111","2020-10-21","18:00:00",""
"4307395","13.2461","0.0003","13.5048","0.0003","17.459","0.0005","90","","90","","90","","3123.17","0.13","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 Cu P3 Se -","- C30 H46 Cu P3 Se -","- C120 H184 Cu4 P12 Se4 -","4","1","","Aneta Borecki; John F. Corrigan","New Copper and Silver Trimethylsilylchalcogenolates","Inorganic Chemistry","2007","46","","2478","2484","10.1021/ic0618910","","","0.71073","MoKα","","0.0748","0.0431","","","0.0836","0.0933","","","","","","1.063","","","","has coordinates","179111","2020-10-21","18:00:00",""
"4307467","9.2513","0.0005","11.0612","0.0006","16.2289","0.0009","90","","90","","90","","1660.71","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 N2 O10 Re S -","- C10 H19 N2 O10 Re S -","- C40 H76 N8 O40 Re4 S4 -","4","1","","Haiyang He; Malgorzata Lipowska; Xiaolong Xu; Andrew T. Taylor; Luigi G. Marzilli","Rhenium Analogues of Promising Renal Imaging Agents with a {99mTc(CO)3}+ Core Bound to Cysteine-Derived Dipeptides, Including Lanthionine","Inorganic Chemistry","2007","46","","3385","3394","10.1021/ic0619299","","","0.71073","MoKα","","0.0261","0.0254","","","0.0646","0.0651","","","","","","1.029","","","","has coordinates","179112","2020-10-21","18:00:00",""
"4307506","7.4733","0.0002","12.9538","0.0004","18.9587","0.0004","90","","90","","90","","1835.35","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 Fe N6 O4 -","- C17 H23 Fe N6 O4 -","- C68 H92 Fe4 N24 O16 -","4","1","","Yu-Fei Song; John F. Berry; Eckhard Bill; Eberhard Bothe; Thomas Weyhermüller; Karl Wieghardt","Iron Complexes of New Pentadentate Ligands Containing the 1,4,7-Triazacyclononane-1,4-diacetate Motif. Spectroscopic, Electro-, and Photochemical Studies","Inorganic Chemistry","2007","46","","2208","2219","10.1021/ic062001j","","","0.71073","MoKα","","0.0287","0.0251","","","0.055","0.0565","","","","","","1.039","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4307516","18.0875","0.0008","18.3897","0.0008","19.77","0.0008","90","","90","","90","","6576","0.5","293","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H56 I8 N8 Zn4 -","- C52 H56 I8 N8 Zn4 -","- C208 H224 I32 N32 Zn16 -","4","1","","Lei Han; Henry Valle; Xianhui Bu","Homochiral Coordination Polymer with Infinite Double-Stranded Helices","Inorganic Chemistry","2007","46","","1511","1513","10.1021/ic062015p","","","0.71073","MoKα","","0.0711","0.0339","","","0.0568","0.0696","","","","","","1.006","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4307543","12.8681","0.0005","21.9498","0.0009","23.1456","0.001","90","","90","","90","","6537.5","0.5","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H40 Ge5 O9 Ru4 -","- C57 H40 Ge5 O9 Ru4 -","- C228 H160 Ge20 O36 Ru16 -","4","1","","Richard D. Adams; Erin M. Boswell; Burjor Captain; Mitul A. Patel","Multiple Additions of Phenylgermanium Ligands to Tetraruthenium and Tetraosmium Carbonyl Cluster Complexes","Inorganic Chemistry","2007","46","","533","540","10.1021/ic062039w","","","0.71073","MoKα","","0.0468","0.0352","","","0.1002","0.1075","","","","","","1.106","","","","has coordinates","179113","2020-10-21","18:00:00",""
"4307649","15.873","0.0001","16.9061","0.0001","22.8297","0.0002","90","","90","","90","","6126.36","0.08","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H80 Ag3 Cu3 N9 O31 S6 -","- C30 H80 Ag3 Cu3 N9 O31 S6 -","- C120 H320 Ag12 Cu12 N36 O124 S24 -","4","1","","Tzuoo-Tsair Luo; Liang-Yu Hsu; Chan-Cheng Su; Chuen-Her Ueng; Tseng-Chang Tsai; Kuang-Lieh Lu","Deliberate Design of a 3D Homochiral CuII/l-met/AgI Coordination Network Based on the Distinct Soft-Hard Recognition Principle","Inorganic Chemistry","2007","46","","1532","1534","10.1021/ic062132k","","x-ray","0.71073","MoKα","","0.0498","0.0363","","","0.0786","0.0831","","","","","","1.053","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307681","14.431","0.017","15.904","0.019","21.68","0.03","90","","90","","90","","4976","11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H60 Cl2 Mo N5 O4 -","- C48 H60 Cl2 Mo N5 O4 -","- C192 H240 Cl8 Mo4 N20 O16 -","4","1","","Laura Ion; Dolores Morales; Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel; Richard A. Kowenicki; Mary McPartlin","Biimidazole and Bis(amide)bipyridine Molybdenum Carbonyl Complexes as Anions Receptors","Inorganic Chemistry","2007","46","","2846","2853","10.1021/ic0621650","","","0.71073","MoKα","","0.0755","0.0497","","","0.1067","0.1245","","","","","","1.076","","","","has coordinates","179114","2020-10-21","18:00:00",""
"4307781","10.026","0.002","15.02","0.004","18.179","0.005","90","","90","","90","","2737.6","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H39 N9 Ni2 -","- C22 H39 N9 Ni2 -","- C88 H156 N36 Ni8 -","4","1","","Long Jiang; Xiao-Long Feng; Cheng-Yong Su; Xiao-Ming Chen; Tong-Bu Lu","Interchain-Solvent-Induced Chirality Change of 1D Helical Chains: From Achiral to Chiral Crystallization","Inorganic Chemistry","2007","46","","2637","2644","10.1021/ic062272u","","","0.71073","MoKα","","0.1413","0.0748","","","0.1689","0.199","","","","","","1.046","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4307782","10.066","0.003","13.747","0.004","17.948","0.006","90","","90","","90","","2483.6","1.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 N8 Ni2 -","- C20 H36 N8 Ni2 -","- C80 H144 N32 Ni8 -","4","1","","Long Jiang; Xiao-Long Feng; Cheng-Yong Su; Xiao-Ming Chen; Tong-Bu Lu","Interchain-Solvent-Induced Chirality Change of 1D Helical Chains: From Achiral to Chiral Crystallization","Inorganic Chemistry","2007","46","","2637","2644","10.1021/ic062272u","","","0.71073","MoKα","","0.0861","0.0636","","","0.1484","0.1603","","","","","","1.096","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4307853","14.6496","0.0011","18.66","0.0015","34.069","0.003","90","","90","","90","","9313.2","1.3","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C77 H111 Fe3 N3 Ni O S15 -","- C77 H111 Fe3 N3 Ni O S15 -","- C308 H444 Fe12 N12 Ni4 O4 S60 -","4","1","","Jibin Sun; Christian Tessier; R. H. Holm","Sulfur Ligand Substitution at the Nickel(II) Sites of Cubane-Type and Cubanoid NiFe3S4 Clusters Relevant to the C-Clusters of Carbon Monoxide Dehydrogenase","Inorganic Chemistry","2007","46","","2691","2699","10.1021/ic062362z","","","0.71073","MoKα","","0.1625","0.0545","","","0.1217","0.1453","","","","","","0.78","","","","has coordinates,has disorder","179116","2020-10-21","18:00:00",""
"4307861","10.5541","0.0016","13.335","0.002","21.004","0.003","90","","90","","90","","2956.1","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","samarium(tris(3,5-dimethylpyrazolyl)methanetrichloride tetrahydrofuranate","","","- C24 H38 Cl3 N6 O2 Sm -","- C24 H38 Cl3 N6 O2 Sm -","- C96 H152 Cl12 N24 O8 Sm4 -","4","1","","Andrea Sella; Sarah E. Brown; Jonathan W. Steed; Derek A. Tocher","Synthesis and Solid-State Structures of Pyrazolylmethane Complexes of the Rare Earths","Inorganic Chemistry","2007","46","","1856","1864","10.1021/ic062370f","","","0.71073","MoKα","","0.0316","0.0308","","","0.076","0.0765","","","","","","0.978","","","","has coordinates","179116","2020-10-21","18:00:00",""
"4307876","6.2772","0.0007","13.8384","0.0009","17.4663","0.0009","90","","90","","90","","1517.2","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Li2Ce5Sn7","","","- Ce5 Li2 Sn7 -","- Ce5 Li2 Sn7 -","- Ce20 Li8 Sn28 -","4","1","","Iliya Todorov; Slavi C. Sevov","In Search of Cyclohexane-like Sn612-: Synthesis of Li2Ln5Sn7 (Ln = Ce, Pr, Sm, Eu) with an Open-Chain Heptane-like Sn716- Instead","Inorganic Chemistry","2007","46","","4044","4048","10.1021/ic062390h","","","0.71073","MoKα","","0.0289","0.0276","","","0.0671","0.0676","","","","","","1.229","","","","has coordinates","179116","2020-10-21","18:00:00",""
"4307888","12.5326","0.0013","13.7091","0.0015","13.9894","0.0015","90","","90","","90","","2403.5","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H23 Mn N5 Se7 Sn3 -","- C8 H23 Mn N5 Se7 Sn3 -","- C32 H92 Mn4 N20 Se28 Sn12 -","4","1","","Jian Zhou; Guo-Qing Bian; Jie Dai; Yong Zhang; Ai-bin Tang; Qin-Yu Zhu","Synthesis of a Selenidostannate(IV), [Mn(tepa).Sn3Se7]n, Demonstrating the Transformation from Achiral to Chiral and Dimeric to Polymeric Structure","Inorganic Chemistry","2007","46","","1541","1543","10.1021/ic062403r","","","0.7107","MoKα","","0.0265","0.0249","","","0.0432","0.0437","","","","","","1.064","","","","has coordinates","179116","2020-10-21","18:00:00",""
"4307899","8.7252","0.0013","11.5021","0.0017","13.944","0.002","90","","90","","90","","1399.4","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","06123","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Aramice Y. S. Malkhasian; Maila E. Finch; Borislava Nikolovski; Adarsh Menon; Benjamin E. Kucera; Ferman A. Chavez","N,N'-Dimethylformamide-Derived Products from Catalytic Oxidation of 3-Hydroxyflavone","Inorganic Chemistry","2007","46","","2950","2952","10.1021/ic062408o","","","0.71073","MoKα","","0.0575","0.0482","","","0.1138","0.1185","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4307960","16.8431","0.0017","17.2353","0.0019","31.392","0.004","90","","90","","90","","9113","1.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H116 Cl4 Cu2 N20 Ni4 O34 -","- C60 H88 Cl4 Cu2 N20 Ni4 O34 -","- C240 H352 Cl16 Cu8 N80 Ni16 O136 -","4","1","","Emilio Pardo; Rafael Ruiz-García; Francesc Lloret; Miguel Julve; Joan Cano; Jorge Pasán; Catalina Ruiz-Pérez; Yasmine Filali; Lise-Marie Chamoreau; Yves Journaux","Molecular-Programmed Self-Assembly of Homo- and Heterometallic Penta- and Hexanuclear Coordination Compounds: Synthesis, Crystal Structures, and Magnetic Properties of Ladder-Type CuII2MIIx (M = Cu, Ni;x= 3, 4) Oxamato Complexes with CuII2 Metallacyclophane Cores","Inorganic Chemistry","2007","46","","4504","4514","10.1021/ic062453w","","x-ray","0.71073","Mokα","","0.1743","0.0752","","","0.1413","0.1772","","","","","","0.986","","","","has coordinates","179117","2020-10-21","18:00:00",""
"4308016","5.9188","0.0012","15.599","0.003","20.123","0.004","90","","90","","90","","1857.9","0.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 Cl Te -","- C18 H29 Cl Te -","- C72 H116 Cl4 Te4 -","4","1","","Jens Beckmann; Stephan Heitz; Malte Hesse","Four Distinctively Different Decomposition Pathways of Metastable Supermesityltellurium(IV) Trichloride","Inorganic Chemistry","2007","46","","3275","3282","10.1021/ic062469m","","","0.71073","MoKα","","0.05","0.0324","","","0.0724","0.0778","","","","","","1.081","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4308044","10.7796","0.0008","12.6297","0.001","19.6399","0.0015","90","","90","","90","","2673.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Cl N6 O7 Re -","- C24 H18 Cl N6 O7 Re -","- C96 H72 Cl4 N24 O28 Re4 -","4","1","","Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel; James A. Golen; Arnold L. Rheingold","Pyrazole Complexes as Anion Receptors: Effects of Changing the Metal, the Pyrazole Substitution Pattern, and the Number of Pyrazole Ligands","Inorganic Chemistry","2007","46","","3407","3418","10.1021/ic0700046","","","0.71073","MoKα","","0.0244","0.0232","","","0.0611","0.0615","","","","","","1.062","","","","has coordinates","179118","2020-10-21","18:00:00",""
"4308057","9.476","0.003","10.329","0.003","25.685","0.007","90","","90","","90","","2514","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","tetra(p-anisyl)thiophene","","","- C32 H28 O4 S -","- C32 H28 O4 S -","- C128 H112 O16 S4 -","4","1","","Kuppuswamy Arumugam; James E. Bollinger; Mark Fink; James P. Donahue","Preparation and Isolation of Dithiolene Thiophosphoryl Molecules as Stable, Protected Forms of Dithiolene Ligands","Inorganic Chemistry","2007","46","","3283","3288","10.1021/ic0700203","","","0.71073","MoKα","","0.0803","0.0703","","","0.1752","0.1817","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4308088","9.5484","0.0003","13.5201","0.0004","21.4401","0.0007","90","","90","","90","","2767.82","0.15","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 F6 Fe N4 O6 S2 -","- C24 H22 F6 Fe N4 O6 S2 -","- C96 H88 F24 Fe4 N16 O24 S8 -","4","1","","Jason England; George J. P. Britovsek; Nitin Rabadia; Andrew J. P. White","Ligand Topology Variations and the Importance of Ligand Field Strength in Non-Heme Iron Catalyzed Oxidations of Alkanes","Inorganic Chemistry","2007","46","","3752","3767","10.1021/ic070062r","","","0.71073","MoKα","","0.0399","0.0386","","","0.084","0.0849","","","","","","1.087","","","","has coordinates","179118","2020-10-21","18:00:00",""
"4308196","9.9659","0.0015","15.391","0.002","16.128","0.002","90","","90","","90","","2473.8","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 O2 P Pd -","- C26 H35 O2 P Pd -","- C104 H140 O8 P4 Pd4 -","4","1","","Joseph Kok-Peng Ng; Shuli Chen; Yongxin Li; Geok-Kheng Tan; Lip-Lin Koh; Pak-Hing Leung","Cyclopalladation of the Prochiral (Di-tert-butyl)(diphenylmethyl)phosphine: Kinetic Lability of the Corresponding (+)-Phosphapalladacyclic Pd-C Bond and the Reluctance of the Phosphine to Bind in a Monodentate Fashion","Inorganic Chemistry","2007","46","","5100","5109","10.1021/ic0702320","","","0.71073","MoKα","","0.0528","0.0434","","","0.0801","0.0838","","","","","","1.009","","","","has coordinates","179119","2020-10-21","18:00:00",""
"4308361","13.788","0.002","17.9638","0.0018","25.485","0.002","90","","90","","90","","6312.2","1.2","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H82 Au Cl Ga2 N4 -","- C58 H82 Au Cl Ga2 N4 -","- C232 H328 Au4 Cl4 Ga8 N16 -","4","1","","Kempter, Andreas; Gemel, Christian; Fischer, Roland A.","Insertion of Ga(DDP) into the Au‒Cl Bond of (PPh3)AuCl: A First Structurally Characterized Au‒Ga Bond","Inorganic Chemistry","2005","44","2","163","165","10.1021/ic048524d","","","0.71073","MoKα","","0.0439","0.0362","","","0.076","0.0781","","","","","","0.984","","","","has coordinates","210154","2020-10-21","18:00:00",""
"4308405","11.565","0.0002","15.082","0.0002","18.861","0.0003","90","","90","","90","","3289.8","0.09","90","0.2","90","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H46 Mn2 N18 O3 W -","- C18 H46 Mn2 N18 O3 W -","- C72 H184 Mn8 N72 O12 W4 -","4","1","","Withers, Jeffrey R.; Ruschmann, Chad; Bojang, Pasano; Parkin, Sean; Holmes, Stephen M.","Synthesis and Structural Characterization of Bi- and Trimetallic Octacyanometalate(IV) Complexes: [Δ,Λ-MII(en)3][cis-MII(en)2(OH2)][MIV(CN)8]·2H2O and [cis-MII(en)2(OH2)]2[(μ-NC)2MIV(CN)6]·4H2O (MII= Mn, Co, Ni; MIV= Mo, W)","Inorganic Chemistry","2005","44","2","352","358","10.1021/ic048936m","","","0.71073","MoKα","","0.0299","0.0245","","","0.0426","0.0439","","","","","","1.031","","","","has coordinates","210264","2020-10-21","18:00:00",""
"4308407","11.5576","0.0004","14.9065","0.0006","18.7669","0.0008","90","","90","","90","","3233.2","0.2","90","0.2","90","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H46 Mo N18 Ni2 O3 -","- C18 H46 Mo N18 Ni2 O3 -","- C72 H184 Mo4 N72 Ni8 O12 -","4","1","","Withers, Jeffrey R.; Ruschmann, Chad; Bojang, Pasano; Parkin, Sean; Holmes, Stephen M.","Synthesis and Structural Characterization of Bi- and Trimetallic Octacyanometalate(IV) Complexes: [Δ,Λ-MII(en)3][cis-MII(en)2(OH2)][MIV(CN)8]·2H2O and [cis-MII(en)2(OH2)]2[(μ-NC)2MIV(CN)6]·4H2O (MII= Mn, Co, Ni; MIV= Mo, W)","Inorganic Chemistry","2005","44","2","352","358","10.1021/ic048936m","","","0.71073","MoKα","","0.0673","0.0402","","","0.0564","0.062","","","","","","0.982","","","","has coordinates","210264","2020-10-21","18:00:00",""
"4308408","11.5576","0.0004","14.9065","0.0006","18.7669","0.0008","90","","90","","90","","3233.2","0.2","90","0.2","90","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H46 N18 Ni2 O3 W -","- C18 H44 N18 Ni2 O3 W -","- C72 H176 N72 Ni8 O12 W4 -","4","1","","Withers, Jeffrey R.; Ruschmann, Chad; Bojang, Pasano; Parkin, Sean; Holmes, Stephen M.","Synthesis and Structural Characterization of Bi- and Trimetallic Octacyanometalate(IV) Complexes: [Δ,Λ-MII(en)3][cis-MII(en)2(OH2)][MIV(CN)8]·2H2O and [cis-MII(en)2(OH2)]2[(μ-NC)2MIV(CN)6]·4H2O (MII= Mn, Co, Ni; MIV= Mo, W)","Inorganic Chemistry","2005","44","2","352","358","10.1021/ic048936m","","","0.71073","MoKα","","0.0553","0.0388","","","0.0696","0.0748","","","","","","0.974","","","","has coordinates","210264","2020-10-21","18:00:00",""
"4308424","9.6972","0.0008","10.4822","0.0008","45.648","0.003","90","","90","","90","","4640","0.6","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","am169","","","- C50 H44 Cl2 Cu2 N6 O10 -","- C50 H44 Cl2 Cu2 N6 O10 -","- C200 H176 Cl8 Cu8 N24 O40 -","4","1","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","1.54178","CuKα","","0.0398","0.0354","","","0.0841","0.0857","","","","","","1.026","","","","has coordinates","210267","2020-10-21","18:00:00",""
"4308425","16.97","0.005","19.821","0.005","23.093","0.005","90","0.005","90","0.005","90","0.005","7768","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H91 Cl4 Co4 N8 O30 -","- C68 H91 Cl4 Co4 N8 O30 -","- C272 H364 Cl16 Co16 N32 O120 -","4","1","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.3157","0.0887","","","0.1694","0.235","","","","","","1.064","","","","has coordinates","210267","2020-10-21","18:00:00",""
"4308428","12.011","0.004","18.521","0.007","22.708","0.008","90","","90","","90","","5052","3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H24 N2 O2 -","- C34 H24 N2 O2 -","- C272 H192 N16 O16 -","8","2","","Gao, Jian; Reibenspies, Joseph H.; Zingaro, Ralph A.; Woolley, F. Ross; Martell, Arthur E.; Clearfield, Abraham","Novel Chiral ""Calixsalen"" Macrocycle and Chiral Robson-type Macrocyclic Complexes","Inorganic Chemistry","2005","44","2","232","241","10.1021/ic049181m","","","0.71073","MoKα","","0.069","0.0491","","","0.1093","0.12","","","","","","0.945","","","","has coordinates","210267","2020-10-21","18:00:00",""
"4308515","10.2054","0.0005","12.5317","0.0006","13.9781","0.0007","90","","90","","90","","1787.67","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tetraethylammonium dibromo nitrato tricarbonyl rhenate","","- C10 H20 Br2 N3 O6 Re -","- C10 H20 Br2 N3 O6 Re -","- C40 H80 Br8 N12 O24 Re4 -","4","1","","Roger Schibli; Niklaus Marti; Patrick Maurer; Bernhard Spingler; Marie-Line Lehaire; Volker Gramlich; Charles L. Barnes","Syntheses and Characterization of Dicarbonyl-Nitrosyl Complexes of Technetium(I) and Rhenium(I) in Aqueous Media: Spectroscopic, Structural, and DFT Analyses","Inorganic Chemistry","2005","44","","683","690","10.1021/ic049599k","","","0.7107","MoKα","","0.0327","0.0267","","","0.0505","0.0522","","","","","","0.995","","","","has coordinates","179123","2020-10-21","18:00:00",""
"4308557","15.565","0.002","20.999","0.003","28.131","0.004","90","","90","","90","","9195","2","110","2","110","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C80 H80 Ag4 B4 F16 N12 O8 P4 -","- C80 H80 Ag4 B4 F16 N12 O8 P4 -","- C320 H320 Ag16 B16 F64 N48 O32 P16 -","4","1","","Rodney P. Feazell; Cody E. Carson; Kevin K. Klausmeyer","Anion-Dependent Silver(I) Coordination Polymers of the Tridentate Pyridylphosphonite: PPh(3-OCH2C5H4N)2","Inorganic Chemistry","2005","44","","996","1005","10.1021/ic0486365","","","0.71073","MoKα","","0.0542","0.0463","","","0.1123","0.1174","","","","","","1.112","","","","has coordinates,has disorder","179123","2020-10-21","18:00:00",""
"4308678","16.026","0.005","16.579","0.005","20.494","0.006","90","","90","","90","","5445","3","168","2","168","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(6) (Cd(DIP)2(THF))2","","","- C56 H84 Cd2 O6 -","- C56 H84 Cd2 O6 -","- C224 H336 Cd8 O24 -","4","1","","Timothy J. Boyle; Scott D. Bunge; Todd M. Alam; Gregory P. Holland; Thomas J. Headley; Gabriel Avilucea","Cadmium Amido Alkoxide and Alkoxide Precursors for the Synthesis of Nanocrystalline CdE (E = S, Se, Te)","Inorganic Chemistry","2005","44","","1309","1318","10.1021/ic0485155","","","0.71073","MoKα","","0.0871","0.0501","","","0.0949","0.1088","","","","","","0.991","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308687","12.946","0.005","19.674","0.007","33.694","0.012","90","","90","","90","","8582","5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Hafnium","Hafnium Trimethylsilylamide lithium THF","","- C26 H71 Hf Li N4 O2 Si6 -","- C26 H71 Hf Li N4 O2 Si6 -","- C208 H568 Hf8 Li8 N32 O16 Si48 -","8","2","","Xianghua Yu; Zi-Ling Xue","Deprotonation Reactions of Zirconium and Hafnium Amide Complexes H2N-M[N(SiMe3)2]3 and Subsequent Silyl Migration from Amide -N(SiMe3)2 to Imide NH Ligands","Inorganic Chemistry","2005","44","","1505","1510","10.1021/ic0485413","","","0.71073","MoKα","","0.0452","0.034","","","0.0892","0.1115","","","","","","0.978","","","","has coordinates","179124","2020-10-21","18:00:00",""
"4308707","11.898","0.0003","13.311","0.0003","16.585","0.0004","90","","90","","90","","2626.64","0.11","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Cl O4 P2 Pt -","- C25 H29 Cl O4 P2 Pt -","- C100 H116 Cl4 O16 P8 Pt4 -","4","1","","Nicola Oberbeckmann-Winter; Xavier Morise; Pierre Braunstein; Richard Welter","Synthesis and Structure of Pt(II) Phosphonato-Phosphine Complexes and of a P,O-Stabilized Metal-Metal-Bonded Pt2Ag2 Complex","Inorganic Chemistry","2005","44","","1391","1403","10.1021/ic0485559","","","0.71069","MoKα","","0.0423","0.0347","","","0.078","0.0815","","","","","","0.871","","","","has coordinates","179125","2020-10-21","18:00:00",""
"4308760","9.943","0.002","14.62","0.002","15.259","0.003","90","","90","","90","","2218.1","0.7","301.2","","301.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 Ag2 N2 P -","- C20 H33 Ag2 N2 P -","- C80 H132 Ag8 N8 P4 -","4","1","","Yong-Yue Lin; Siu-Wai Lai; Chi-Ming Che; Wen-Fu Fu; Zhong-Yuan Zhou; Nianyong Zhu","Structural Variations and Spectroscopic Properties of Luminescent Mono- and Multinuclear Silver(I) and Copper(I) Complexes Bearing Phosphine and Cyanide Ligands","Inorganic Chemistry","2005","44","","1511","1524","10.1021/ic048876k","","","0.7107","MoKalpha","","","0.0282","","","0.0384","","","","","1.811","1.811","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4308864","12.9219","0.0016","17.563","0.002","18.195","0.002","90","","90","","90","","4129.3","0.8","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 Br4 N6 O2 Os -","- C36 H26 Br4 N7 O2 Os -","- C144 H104 Br16 N28 O8 Os4 -","4","1","","Jing Zhang; Jiang-Lin Liang; Xian-Ru Sun; Hai-Bing Zhou; Nian-Yong Zhu; Zhong-Yuan Zhou; Philip Wai Hong Chan; Chi-Ming Che","Chiral Osmium Complexes with Sterically Bulky Schiff-Base Ligands. Crystal Structures of Os(IV) Derivatives and the Reactivity and Catalytic Cyclopropanation of Alkenes with EDA","Inorganic Chemistry","2005","44","","3942","3954","10.1021/ic0481935","","","0.71073","MoKα","","0.0632","0.0387","","","0.0767","0.0804","","","","","","1.008","","","","has coordinates","179126","2020-10-21","18:00:00",""
"4308909","16.8565","0.0006","17.3548","0.0009","24.6059","0.0011","90","","90","","90","","7198.2","0.6","200","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H60 Cl2 Cu4 N18 O26 -","- C64 H48 Cl2 Cu4 N18 O26 -","- C256 H192 Cl8 Cu16 N72 O104 -","4","1","","Katharina Isele; Patrick Franz; Christina Ambrus; Gérald Bernardinelli; Silvio Decurtins; Alan F. Williams","Self-Assembly and Interconversion of Tetranuclear Copper(II) Complexes","Inorganic Chemistry","2005","44","","3896","3906","10.1021/ic0500762","","","0.71073","MoKα","","","0.032","","","","0.032","","","","","","1.24","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4308910","15.4291","0.001","16.9541","0.0008","25.2232","0.0009","90","","90","","90","","6598","0.6","200","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H60 Cl4 Cu4 N12 O17 -","- C56 H49 Cl4 Cu4 N12 O17 -","- C224 H196 Cl16 Cu16 N48 O68 -","4","1","","Katharina Isele; Patrick Franz; Christina Ambrus; Gérald Bernardinelli; Silvio Decurtins; Alan F. Williams","Self-Assembly and Interconversion of Tetranuclear Copper(II) Complexes","Inorganic Chemistry","2005","44","","3896","3906","10.1021/ic0500762","","","0.71073","MoKα","","","0.043","","","","0.048","","","","","","1.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309024","9.8852","0.001","16.3564","0.0002","22.3784","0.0004","90","","90","","90","","3618.3","0.4","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 N2 P2 Ru -","- C42 H40 N2 P2 Ru -","- C168 H160 N8 P8 Ru4 -","4","1","","Kamaluddin Abdur-Rashid; Robert Abbel; Alen Hadzovic; Alan J. Lough; Robert H. Morris","Chemistry of Ruthenium(II) Monohydride and Dihydride Complexes Containing Pyridyl Donor Ligands Including Catalytic Ketone H2-Hydrogenation1","Inorganic Chemistry","2005","44","","2483","2492","10.1021/ic0489387","","","0.71073","MoKα","","0.0329","0.029","","","0.0616","0.0631","","","","","","1.034","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309067","8.2616","0.0007","14.0004","0.001","30.79","0.002","90","","90","","90","","3561.3","0.5","173","","173","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Cl2 Fe N3 O15 -","- C31 H39 Cl2 Fe N3 O15 -","- C124 H156 Cl8 Fe4 N12 O60 -","4","1","","Michael Seitz; Anja Kaiser; Sabine Stempfhuber; Manfred Zabel; Oliver Reiser","Enantiomerically Pure Pentagonal-Bipyramidal Metal Complexes with Predetermined Helicity in the Solid and Solution States","Inorganic Chemistry","2005","44","","4630","4636","10.1021/ic050014b","","","0.71073","MoKα","","0.0723","0.0443","","","0.0884","0.0963","","","","","","0.883","","","","has coordinates","179128","2020-10-21","18:00:00",""
"4309104","12.041","0.002","18.151","0.004","22.217","0.004","90","","90","","90","","4855.7","1.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H45 I3 La N11 -","- C42 H45 I3 La N11 -","- C168 H180 I12 La4 N44 -","4","1","","Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun","Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation","Inorganic Chemistry","2005","44","","4756","4765","10.1021/ic0502224","","","0.71073","MoKα","","0.0809","0.0638","","","0.1466","0.1544","","","","","","1.052","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309105","12.004","0.002","18.072","0.004","22.267","0.005","90","","90","","90","","4830.5","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H45 Ce I3 N11 -","- C42 H45 Ce I3 N11 -","- C168 H180 Ce4 I12 N44 -","4","1","","Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun","Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation","Inorganic Chemistry","2005","44","","4756","4765","10.1021/ic0502224","","","0.71073","MoKα","","0.0341","0.0308","","","0.0587","0.0595","","","","","","1.142","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309106","11.945","0.002","17.952","0.004","22.335","0.005","90","","90","","90","","4789.4","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H45 I3 N11 Nd -","- C42 H45 I3 N11 Nd -","- C168 H180 I12 N44 Nd4 -","4","1","","Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun","Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation","Inorganic Chemistry","2005","44","","4756","4765","10.1021/ic0502224","","","0.71073","MoKα","","0.0508","0.0461","","","0.0934","0.0949","","","","","","1.15","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309107","11.909","0.002","17.745","0.004","22.51","0.005","90","","90","","90","","4756.9","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H45 I3 Lu N11 -","- C42 H45 I3 Lu N11 -","- C168 H180 I12 Lu4 N44 -","4","1","","Louise Natrajan; Jacques Pécaut; Marinella Mazzanti; Colette LeBrun","Controlled Hydrolysis of Lanthanide Complexes of the N-Donor Tripod Tris(2-pyridylmethyl)amine versus Bisligand Complex Formation","Inorganic Chemistry","2005","44","","4756","4765","10.1021/ic0502224","","","0.71073","MoKα","","0.0292","0.0259","","","0.0577","0.0589","","","","","","1.069","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309112","9.646","0.003","9.685","0.003","15.689","0.005","90","","90","","90","","1465.7","0.8","238","2","238","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 Sn -","- C16 H20 N2 Sn -","- C64 H80 N8 Sn4 -","4","1","","Patrick Bazinet; Glenn P. A. Yap; Gino A. DiLabio; Darrin S. Richeson","Synthesis and Molecular and Extended Structures for a Diaminonaphthalene-Derived Bis(amido)stannylene","Inorganic Chemistry","2005","44","","4616","4621","10.1021/ic050238u","","","0.71073","MoKα","","0.1798","0.0596","","","0.1088","0.1293","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4309174","8.5893","0.0004","15.7662","0.0008","17.5041","0.0009","90","","90","","90","","2370.4","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Cu N4 O8 -","- C22 H20 Cu N4 O8 -","- C88 H80 Cu4 N16 O32 -","4","1","","Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye","Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4)","Inorganic Chemistry","2005","44","","5047","5059","10.1021/ic050080d","","","0.7107","MoKα","","0.028","0.0239","","","0.0601","0.0619","","","","","","1.022","","","","has coordinates","179129","2020-10-21","18:00:00",""
"4309244","12.2524","0.0011","16.6145","0.0015","20.1234","0.0019","90","","90","","90","","4096.5","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H53 Cl4 N9 Ni2 O7 -","- C29 H53 Cl4 N9 Ni2 O7 -","- C116 H212 Cl16 N36 Ni8 O28 -","4","1","","Elizabeth A. Deters; Michael J. Goldcamp; Jeanette A. Krause Bauer; Michael J. Baldwin","Anion-Controlled Nuclearity in Nickel Complexes with Potentially Dinucleating, Poly(oxime) Amine Ligands","Inorganic Chemistry","2005","44","","5222","5228","10.1021/ic048355x","","","0.71073","MoKα","","0.0461","0.0334","","","0.0768","0.0811","","","","","","1.005","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4309311","11.9773","0.0011","18.527","0.003","33.662","0.004","90","","90","","90","","7469.7","1.6","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C63 H126 Al9 N3 -","- C63 H126 Al9 N3 -","- C252 H504 Al36 N12 -","4","1","","Andreas Stasch; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt","Aluminum Hydride Cations Stabilized by Weakly Coordinating Carbaalanates","Inorganic Chemistry","2005","44","","5854","5857","10.1021/ic048594k","","","0.71073","MoKα","","0.0484","0.0404","","","0.0996","0.1033","","","","","","1.026","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309323","15.188","0.005","17.395","0.005","20.561","0.005","90","","90","","90","","5432","3","153","2","153","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","FeC60Ph5Cp","","- C96 H30 Fe S2 -","- C96 H30 Fe S2 -","- C384 H120 Fe4 S8 -","4","1","","Rolfe H. Herber; Israel Nowik; Yutaka Matsuo; Motoki Toganoh; Yoichiro Kuninobu; Eiichi Nakamura","Mössbauer Spectroscopy of Bucky Ferrocenes: Lattice Dynamics and Motional Anisotropy of the Metal Atom","Inorganic Chemistry","2005","44","","5629","5635","10.1021/ic050251e","","x-ray","0.71069","MoKα","","0.0619","0.0525","","","0.1367","0.1436","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309340","14.5896","0.0016","16.749","0.0015","20.599","0.003","90","","90","","90","","5033.6","1","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C60 H46 N8 Os2 -","- C60 H46 N8 Os2 -","- C240 H184 N32 Os8 -","4","1","","Yan-Hui Shi; Wei-Zhong Chen; Kevin D. John; Ryan E. Da Re; Joshua L. Cohn; Guo-Lin Xu; Judith L. Eglin; Alfred P. Sattelberger; Curtis R. Hare; Tong Ren","Diosmium(III) Compounds Supported by 2-Anilinopyridinate and Novel Alkynyl Derivatives","Inorganic Chemistry","2005","44","","5719","5727","10.1021/ic050496r","","","0.71073","MoKα","","0.0911","0.0459","","","0.0746","0.0837","","","","","","1.018","","","","has coordinates","179131","2020-10-21","18:00:00",""
"4309383","12.402","0.003","14.274","0.004","25.362","0.003","90","","90","","90","","4489.7","1.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H71 Al N4 O S2 -","- C44 H71 Al N4 O S2 -","- C176 H284 Al4 N16 O4 S8 -","4","1","","Vojtech Jancik; Herbert W. Roesky","Unusual Anions [LAl(SH)(S)]- and [LAl(S)2]2- Stabilized by Weakly Coordinating Imidazolium Cations. Synthesis of LAl(SSiMe2)2O (L = HC[C(Me)N(Ar)]2, Ar = 2,6-iPr2C6H3)","Inorganic Chemistry","2005","44","","5556","5558","10.1021/ic050693q","","","1.54178","CuKα","","0.0447","0.035","","","0.0821","0.0867","","","","","","1.03","","","","has coordinates,has disorder","179131","2020-10-21","18:00:00",""
"4309460","6.6289","0.0013","14.266","0.003","19.151","0.004","90","","90","","90","","1811.1","0.6","293","2","566","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 Co N2 O11 -","- C14 H22 Co N2 O11 -","- C56 H88 Co4 N8 O44 -","4","1","","Jing Lu; Jie-Hui Yu; Xiao-Yan Chen; Peng Cheng; Xiao Zhang; Ji-Qing Xu","Novel Self-Assembled Chain of Water Molecules in a Metal-Organic Framework Structure of Co(II) with Tartrate Acid","Inorganic Chemistry","2005","44","","5978","5980","10.1021/ic0507621","","","0.71073","MoKα","","0.0569","0.0531","","","0.1255","0.13","","","","","","1.088","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309467","11.527","0.004","22.807","0.007","58.396","0.019","90","","90","","90","","15352","9","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Pd2(DPhBz)3(OAc), 0.67(CH3COCH3)","","","- C61 H52 N6 O2.67 Pd2 -","- C61 H52 N6 O2.66667 Pd2 -","- C732 H624 N72 O32 Pd24 -","12","3","","John F. Berry; F. Albert Cotton; Sergey A. Ibragimov; Carlos A. Murillo; Xiaoping Wang","Searching for Precursors to Metal-Metal Bonded Dipalladium Species: A Study of Pd24+ Complexes","Inorganic Chemistry","2005","44","","6129","6137","10.1021/ic050876c","","","0.71073","MoKα","","0.06","0.0486","","","0.1069","0.1134","","","","","","1.109","","","","has coordinates","179132","2020-10-21","18:00:00",""
"4309513","13.7327","0.0014","16.4189","0.0016","16.5975","0.0016","90","","90","","90","","3742.3","0.6","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Cl Cu N8 O7 -","- C24 H18 Cl Cu N8 O7 -","- C96 H72 Cl4 Cu4 N32 O28 -","4","1","","Jian-Ping Ma; Yu-Bin Dong; Ru-Qi Huang; Mark D. Smith; Cheng-Yong Su","Spontaneously Resolved Chiral Three-Fold Interpenetrating Diamondoidlike Cu(II) Coordination Polymers with Temperature-Driven Crystal-to-Crystal Transformation","Inorganic Chemistry","2005","44","","6143","6145","10.1021/ic0505504","","","0.71073","MoKα","","0.0706","0.0633","","","0.1625","0.1683","","","","","","0.992","","","","has coordinates,has disorder","179133","2020-10-21","18:00:00",""
"4309564","9.5562","0.0001","16.7249","0.0002","19.2269","0.0003","90","","90","","90","","3072.97","0.07","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl4 Fe N4 O S4 -","- C22 H31 Cl4 Fe N4 O S4 -","- C88 H124 Cl16 Fe4 N16 O4 S16 -","4","1","","Chien-Ming Lee; Chien-Hong Chen; Hao-Wen Chen; Jo-Lu Hsu; Gene-Hsiang Lee; Wen-Feng Liaw","Nitrosylated Iron-Thiolate-Sulfinate Complexes with {Fe(NO)}6/7 Electronic Cores: Relevance to the Transformation between the Active and Inactive NO-Bound Forms of Iron-Containing Nitrile Hydratases","Inorganic Chemistry","2005","44","","6670","6679","10.1021/ic050108l","","","0.71073","MoKα","","0.0968","0.0574","","","0.1276","0.1537","","","","","","1.024","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309567","11.313","0.002","11.546","0.002","13.456","0.003","90","","90","","90","","1757.6","0.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mer-trichlorotripyrazoloruthenium(III)","","- C12 H18 Cl3 N6 Ru -","- C12 H18 Cl3 N6 Ru -","- C48 H72 Cl12 N24 Ru4 -","4","1","","Erwin Reisner; Vladimir B. Arion; Anna Eichinger; Norbert Kandler; Gerald Giester; Armando J.L. Pombeiro; Bernhard K. Keppler","Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs: Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [RuIII/IICl6-n(Azole)n]z (n= 3, 4, 6) Complexes","Inorganic Chemistry","2005","44","","6704","6716","10.1021/ic0503737","","","0.71073","MoKα","","0.0223","0.02","","","0.0443","0.0451","","","","","","1.068","","","","has coordinates","179133","2020-10-21","18:00:00",""
"4309648","8.636","0.003","13.335","0.004","19.179","0.006","90","","90","","90","","2208.7","1.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H40 N6 Ni O2 -","- C18 H40 N6 Ni O2 -","- C72 H160 N24 Ni4 O8 -","4","1","","Long Jiang; Tong-Bu Lu; Xiao-Long Feng","Two Supramolecular Isomers of Molecular Squares and 1D Helical Chains with Alternating Right- and Left-Handed Chirality","Inorganic Chemistry","2005","44","","7056","7062","10.1021/ic050626w","","","0.71073","MoKα","","0.0625","0.0402","","","0.0981","0.1082","","","","","","1.085","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309662","13.126","0.0008","14.7812","0.0008","24.6345","0.0014","90","","90","","90","","4779.5","0.5","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 P2 Pt S2 -","- C58 H54 P2 Pt S2 -","- C232 H216 P8 Pt4 S8 -","4","1","","José Vicente; Pablo González-Herrero; María Pérez-Cadenas; Peter G. Jones; Delia Bautista","(Fluoren-9-ylidene)methanedithiolato Complexes of Platinum: Synthesis, Reactivity, and Luminescence1","Inorganic Chemistry","2005","44","","7200","7213","10.1021/ic050748o","","","0.71073","MoKα","","0.0256","0.0193","","","0.039","0.0405","","","","","","0.994","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309663","8.1462","0.0004","17.0641","0.0009","24.0539","0.0013","90","","90","","90","","3343.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 Cl2 N2 O2 Pt S2 -","- C35 H35 Cl2 N2 O2 Pt S2 -","- C140 H140 Cl8 N8 O8 Pt4 S8 -","4","1","","José Vicente; Pablo González-Herrero; María Pérez-Cadenas; Peter G. Jones; Delia Bautista","(Fluoren-9-ylidene)methanedithiolato Complexes of Platinum: Synthesis, Reactivity, and Luminescence1","Inorganic Chemistry","2005","44","","7200","7213","10.1021/ic050748o","","","0.71073","MoKα","","0.0283","0.0279","","","0.0668","0.067","","","","","","1.177","","","","has coordinates,has disorder","179134","2020-10-21","18:00:00",""
"4309671","8.8303","0.0003","8.9151","0.0003","32.2025","0.0008","90","","90","","90","","2535.08","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Fe I N4 O -","- C28 H28 Fe I N4 O -","- C112 H112 Fe4 I4 N16 O4 -","4","1","","Krzysztof Chłopek; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Five-Coordinate Complexes of Iron(II/III) Containingo-Diiminobenzosemiquinonate(1-) π Radical Ligands","Inorganic Chemistry","2005","44","","7087","7098","10.1021/ic050829k","","","0.71073","MoKα","","0.0332","0.0286","","","0.0599","0.0617","","","","","","1.042","","","","has coordinates","179134","2020-10-21","18:00:00",""
"4309722","14.5032","0.0003","14.5032","0.0003","25.2982","0.0013","90","","90","","90","","5321.3","0.3","176","2","176","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","{[bis(N,N,N',N'-tetramethyl-(1R,2R)-trans-cyclohexanediamine- κ^2^N,N')copper(I)][bis(N,N,N',N'-tetramethyl-(1S,2S)-trans- cyclohexanediamine-κ^2^N,N')copper(I)]} bis(trifluoromethanesulfonate)","","- C21 H44 Cu F3 N4 O3 S -","- C21 H44 Cu F3 N4 O3 S -","- C168 H352 Cu8 F24 N32 O24 S8 -","8","2","","Adam P. Cole; Viswanath Mahadevan; Liviu M. Mirica; Xavier Ottenwaelder; T. Daniel P. Stack","Bis(μ-oxo)dicopper(III) Complexes of a Homologous Series of Simple Peralkylated 1,2-Diamines: Steric Modulation of Structure, Stability, and Reactivity","Inorganic Chemistry","2005","44","","7345","7364","10.1021/ic050331i","","","0.71069","MoKα","","0.071","0.0523","","","0.1056","0.112","","","","","","0.975","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309763","8.8751","0.0006","9.7031","0.0007","14.2263","0.0012","90","","90","","90","","1225.11","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N O3 Si -","- C10 H21 N O3 Si -","- C40 H84 N4 O12 Si4 -","4","1","","Evgenios M. Evgeniou; Spyros A. Pergantis; Epameinondas Leontidis; Anastasios D. Keramidas","NMR Investigation of the Interaction of Vanadate with Carbasilatranes in Aqueous Solutions","Inorganic Chemistry","2005","44","","7511","7522","10.1021/ic050929q","","","0.71073","MoKα","","0.0297","0.0286","","","0.0782","0.0794","","","","","","1.118","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4309863","13.64","0.005","18.548","0.005","20.75","0.005","90","","90","","90","","5250","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H74 Cl6 Fe N5 -","- C51 H74 Cl6 Fe N5 -","- C204 H296 Cl24 Fe4 N20 -","4","1","","Dibyendu Bhattacharya; Soumen Dey; Suman Maji; Kuntal Pal; Sabyasachi Sarkar","Direct Incorporation of a Ferric Ion in the Porphyrinogen Core: Tetrakis(cyclohexyl)iron Porphyrinogen Anion with Different Conformers and Its Reaction with Iodine","Inorganic Chemistry","2005","44","","7699","7701","10.1021/ic050890p","","","0.71069","MoKα","","0.1038","0.065","","","0.1496","0.1704","","","","","","1.012","","","","has coordinates","179136","2020-10-21","18:00:00",""
"4309918","8.008","0.0016","13.371","0.003","18.151","0.004","90","","90","","90","","1943.5","0.7","298","1","298","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N,N'-bis(1-carboxy-2-mercaptoethyl)-1,2-diaminoethanenickel(II) N,N'-1,3-diammoniumpropane 3 water solvate","","- C11 H24 N4 Ni O7 S2 -","- C11 H24 N4 Ni O7 S2 -","- C44 H96 N16 Ni4 O28 S8 -","4","1","","Robert T. Stibrany; Stephen Fox; Parimal K. Bharadwaj; Harvey J. Schugar; Joseph A. Potenza","Structural and Spectroscopic Features of Mono- and Binuclear Nickel(II) Complexes with Tetradentate N(amine)2S(thiolate)2 Ligation","Inorganic Chemistry","2005","44","","8234","8242","10.1021/ic050114h","","","0.71073","MoKα","","0.0495","0.0388","","","0.1003","0.1071","","","","","","1","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309923","8.4315","0.0006","11.0777","0.0008","24.0524","0.0018","90","","90","","90","","2246.5","0.3","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Mn(PaPy3)(OCH3)](ClO4)","","","- C21 H23 Cl Mn N5 O6 -","- C21 H23 Cl Mn N5 O6 -","- C84 H92 Cl4 Mn4 N20 O24 -","4","1","","Kaushik Ghosh; Aura A. Eroy-Reveles; Marilyn M. Olmstead; Pradip K. Mascharak","Reductive Nitrosylation and Proton-Assisted Bridge Splitting of a (μ-Oxo)dimanganese(III) Complex Derived from a Polypyridine Ligand with One Carboxamide Group","Inorganic Chemistry","2005","44","","8469","8475","10.1021/ic0503535","","","0.71073","MoKα","","0.0432","0.0314","","","0.0697","0.0757","","","","","","1.021","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309926","8.5126","0.0006","11.253","0.0007","26.6159","0.0017","90","","90","","90","","2549.6","0.3","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Mn(PaPy3)(OC6H5)]ClO4","","","- C26 H25 Cl Mn N5 O6 -","- C26 H25 Cl Mn N5 O6 -","- C104 H100 Cl4 Mn4 N20 O24 -","4","1","","Kaushik Ghosh; Aura A. Eroy-Reveles; Marilyn M. Olmstead; Pradip K. Mascharak","Reductive Nitrosylation and Proton-Assisted Bridge Splitting of a (μ-Oxo)dimanganese(III) Complex Derived from a Polypyridine Ligand with One Carboxamide Group","Inorganic Chemistry","2005","44","","8469","8475","10.1021/ic0503535","","","0.71073","MoKα","","0.0336","0.0284","","","0.0684","0.0714","","","","","","1.026","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309945","8.0453","0.0007","18.6762","0.0016","24.489","0.002","90","","90","","90","","3679.6","0.5","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 Cl Cu2 La N10 O17 -","- C20 H34 Cl Cu2 La N10 O17 -","- C80 H136 Cl4 Cu8 La4 N40 O68 -","4","1","","Feng He; Ming-Liang Tong; Xiao-Ming Chen","Synthesis, Structures, and Magnetic Properties of Heteronuclear Cu(II)-Ln(III) (Ln = La, Gd, or Tb) Complexes","Inorganic Chemistry","2005","44","","8285","8292","10.1021/ic0507159","","","0.71073","MoKα","","0.1241","0.0776","","","0.162","0.1848","","","","","","1.076","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4309962","10.731","0.003","11.493","0.003","28.971","0.007","90","","90","","90","","3573","1.6","243","2","243","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 B N6 O S4 Zn -","- C34 H39 B N6 O S4 Zn -","- C136 H156 B4 N24 O4 S16 Zn4 -","4","1","","Mohamed M. Ibrahim; Jan Seebacher; Gunther Steinfeld; Heinrich Vahrenkamp","Tris(thioimidazolyl)borate-Zinc-Thiolate Complexes for the Modeling of Biological Thiolate Alkylations","Inorganic Chemistry","2005","44","","8531","8538","10.1021/ic0508270","","","0.71073","MoKα","","0.0689","0.0458","","","0.1304","0.1514","","","","","","1.043","","","","has coordinates","179137","2020-10-21","18:00:00",""
"4310005","10.667","0.003","15.152","0.004","25.053","0.006","90","","90","","90","","4049.2","1.8","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H42 O8 P2 Rh2 -","- C44 H42 O8 P2 Rh2 -","- C176 H168 O32 P8 Rh8 -","4","1","","F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu","Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials","Inorganic Chemistry","2005","44","","8223","8233","10.1021/ic051282c","","","0.71073","MoKα","","0.0198","0.0184","","","0.0456","0.0466","","","","","","1.073","","","","has coordinates","179139","2020-10-21","18:00:00",""
"4310136","11.915","0.002","12.453","0.002","20.742","0.004","90","","90","","90","","3077.6","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(IPr)Cu(NHPh)","","- C33 H42 Cu N3 -","- C33 H42 Cu N3 -","- C132 H168 Cu4 N12 -","4","1","","Laurel A. Goj; Elizabeth D. Blue; Colleen Munro-Leighton; T. Brent Gunnoe; Jeffrey L. Petersen","Cleavage of X-H Bonds (X = N, O, or C) by Copper(I) Alkyl Complexes To Form Monomeric Two-Coordinate Copper(I) Systems","Inorganic Chemistry","2005","44","","8647","8649","10.1021/ic0517624","","","0.71073","MoKα","","0.0616","0.0422","","","0.1011","0.1127","","","","","","1.024","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310173","11.2381","0.001","17.736","0.002","24.809","0.003","90","","90","","90","","4944.9","0.9","150","","150","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Mn N3 O8 -","- C24 H26 Mn N3 O8 -","- C192 H208 Mn8 N24 O64 -","8","2","","Meenal D. Godbole; Anna C. G. Hotze; Ronald Hage; Allison M. Mills; Huub Kooijman; Anthony L. Spek; Elisabeth Bouwman","Stereochemical Influence of the Ligand on the Structure of Manganese Complexes: Implications for Catalytic Epoxidations","Inorganic Chemistry","2005","44","","9253","9266","10.1021/ic051223z","","x-ray","0.71073","MoKα","","0.0538","0.0392","","","0.0863","0.0917","","","","","","1.034","","","","has coordinates","179140","2020-10-21","18:00:00",""
"4310221","14.178","0.003","14.442","0.004","11.4","0.002","90","0","90","0","90","0","2334.2","0.9","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 N6 O3 S -","- C24 H18 N6 O3 S -","- C96 H72 N24 O12 S4 -","4","1","","Costanza Bergami; Maria Pia Donzello; Claudio Ercolani; Fabrizio Monicelli; Karl M. Kadish; Corrado Rizzoli","Tetra-2,3-pyrazinoporphyrazines with Externally Appended Pyridine Rings. 3. A New Highly Electron-Deficient Octacationic Macrocycle: Tetrakis-2,3-[5,6-di{2-(N-methyl)pyridiniumyl}pyrazino]porphyrazine, [(2-Mepy)8TPyzPzH2]8+","Inorganic Chemistry","2005","44","","9852","9861","10.1021/ic051084l","","","1.54178","CuKα","","0.0474","0.0422","","0.1334","","0.1138","","","1.062","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4310303","6.7347","0.0008","7.0185","0.0009","17.723","0.002","90","","90","","90","","837.72","0.17","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Rubidium Samarium Tetraselenogermanate","Rubidium Samarium Tetraselenogermanate","","- Ge Rb Se4 Sm -","- Ge Rb Se4 Sm -","- Ge4 Rb4 Se16 Sm4 -","4","1","","Benjamin R. Martin; Peter K. Dorhout","Molten Flux Synthesis of an Analogous Series of Layered Alkali Samarium Selenogermanate Compounds","Inorganic Chemistry","2004","43","","385","391","10.1021/ic034724y","","","0.71073","MoKα","","0.0482","0.0336","","","0.0608","0.0635","","","","","","0.886","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310304","6.707","0.002","7.067","0.002","18.334","0.006","90","","90","","90","","869","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cesium Samarium Tetraselenogermanate","Cesium Samarium Tetraselenogermanate","","- Cs Ge Se4 Sm -","- Cs Ge Se4 Sm -","- Cs4 Ge4 Se16 Sm4 -","4","1","","Benjamin R. Martin; Peter K. Dorhout","Molten Flux Synthesis of an Analogous Series of Layered Alkali Samarium Selenogermanate Compounds","Inorganic Chemistry","2004","43","","385","391","10.1021/ic034724y","","","0.71073","MoKα","","0.0421","0.0335","","","0.0584","0.0601","","","","","","0.938","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310324","9.886","0.005","11.468","0.005","32.221","0.005","90","","90","","90","","3653","3","173","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Co3 N O10 Ru Si2 -","- C28 H38 Co3 N O10 Ru Si2 -","- C112 H152 Co12 N4 O40 Ru4 Si8 -","4","1","","Aldjia Choualeb; Pierre Braunstein; Jacky Rosé; Richard Welter","Reactions of the Tetrahedral Clusters [MCo3(CO)12]- (M = Ru, Fe) with Functional Mono- and Diynes","Inorganic Chemistry","2004","43","","57","71","10.1021/ic034832k","","","0.71069","MoKα","","0.1506","0.0834","","","0.1551","0.1749","","","","","","1.087","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310325","12.531","0.002","13.382","0.002","29.276","0.003","90","","90","","90","","4909.3","1.2","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H53 Co3 N O9 P Ru Si2 -","- C45 H53 Co3 N O9 P Ru Si2 -","- C180 H212 Co12 N4 O36 P4 Ru4 Si8 -","4","1","","Aldjia Choualeb; Pierre Braunstein; Jacky Rosé; Richard Welter","Reactions of the Tetrahedral Clusters [MCo3(CO)12]- (M = Ru, Fe) with Functional Mono- and Diynes","Inorganic Chemistry","2004","43","","57","71","10.1021/ic034832k","","","0.71073","MoKα","","0.0526","0.0368","","","0.077","0.0833","","","","","","0.86","","","","has coordinates","179142","2020-10-21","18:00:00",""
"4310390","8.1587","0.0016","12.675","0.003","18.046","0.004","90","","90","","90","","1866.2","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H26 Co N6 O10 V3 -","- C6 H24 Co N6 O10 V3 -","- C24 H96 Co4 N24 O40 V12 -","4","1","","Yu Wang; Jihong Yu; Qinhe Pan; Yu Du; Yongchun Zou; Ruren Xu","Synthesis and Structural Characterization of 0D Vanadium Borophosphate [Co(en)3]2[V3P3BO19][H2PO4].4H2O and 1D Vanadium Oxides [Co(en)3][V3O9].H2O and [Co(dien)2][V3O9].H2O Templated by Cobalt Complexes: Cooperative Organization of the Complexes and the Inorganic Networks","Inorganic Chemistry","2004","43","","559","565","10.1021/ic034241u","","","0.71073","MoKα","","0.0363","0.0264","","","0.0503","0.0644","","","","","","0.891","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310409","8.698","0.015","14.517","0.015","15.344","0.016","90","","90","","90","","1937","4","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- As2 F20 Mg Xe4 -","- As2 F20 Mg Xe4 -","- As8 F80 Mg4 Xe16 -","4","1","","Melita Tramšek; Primož Benkič; Boris Žemva","[Mg(XeF~2~)~n~](AsF~6~)~2~ (n = 4, 2): the first compounds of magnesium with XeF~2~","Inorganic Chemistry","2004","43","","699","703","10.1021/ic034826o","","","0.71069","MoKα","","0.0557","0.0508","","","0.1098","0.1124","","","","","","1.162","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310470","7.2651","0.0008","10.4394","0.0012","20.293","0.002","90","","90","","90","","1539.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Br Co N4 O4 -","- C11 H20 Br Co N4 O4 -","- C44 H80 Br4 Co4 N16 O16 -","4","1","","Kaian Yao; Xin Zhang; Huilan Chen; Yuhua Mei; Yizhi Li","Synthesis and Crystal Structures of A New Series of Intramolecular Bridged Alkylcobaloxime Complexes","Inorganic Chemistry","2004","43","","577","583","10.1021/ic035147g","","","0.71073","MoKα","","0.0463","0.0356","","","0.0595","0.0613","","","","","","0.902","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310487","10.282","0.0007","20.2872","0.0014","20.5518","0.0014","90","","90","","90","","4287","0.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H43 Ag2 B2 F8 N13 O3 -","- C36 H43 Ag2 B2 F8 N13 O3 -","- C144 H172 Ag8 B8 F32 N52 O12 -","4","1","","Daniel L. Reger; Radu F. Semeniuc; Vitaly Rassolov; Mark D. Smith","Supramolecular Structural Variations with Changes in Anion and Solvent in Silver(I) Complexes of a Semirigid, Bitopic Tris(pyrazolyl)methane Ligand","Inorganic Chemistry","2004","43","","537","554","10.1021/ic035207i","","","0.71073","MoKα","","0.0435","0.0388","","","0.0913","0.0933","","","","","","1.01","","","","has coordinates","179143","2020-10-21","18:00:00",""
"4310541","5.509","0.002","10.545","0.004","29.399","0.011","90","","90","","90","","1707.9","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cu N4 O7 S2 -","- C12 H8 Cu N4 O7 S2 -","- C48 H32 Cu4 N16 O28 S8 -","4","1","","Zheng Huang; Hai-Bin Song; Miao Du; Shen-Tan Chen; Xian-He Bu; Joan Ribas","Coordination Polymers Assembled from Angular Dipyridyl Ligands and CuII, CdII, CoII Salts: Crystal Structures and Properties","Inorganic Chemistry","2004","43","","931","944","10.1021/ic034999d","","","0.71073","MoKα","","0.0429","0.0374","","","0.1088","0.1172","","","","","","1.256","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310559","16.993","0.009","13.044","0.007","14.664","0.011","90","","90","","90","","3250","3","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 I2 Lu N5 O -","- C28 H32 I2 Lu N5 O -","- C112 H128 I8 Lu4 N20 O4 -","4","1","","Garth R. Giesbrecht; John C. Gordon; David L. Clark; Brian L. Scott","Auto-ionization in Lutetium Iodide Complexes: Effect of the Ionic Radius on Lanthanide-Iodide Binding","Inorganic Chemistry","2004","43","","1065","1070","10.1021/ic035090y","","","0.71073","MoKα","","0.0397","0.0373","","","0.0901","0.0908","","","","","","1.876","","","","has coordinates","179144","2020-10-21","18:00:00",""
"4310569","21.9055","0.0018","23.9529","0.0019","25.759","0.002","90","","90","","90","","13515.8","1.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C75 H105 N3 O3 U -","- C75 H105 N3 O3 U -","- C600 H840 N24 O24 U8 -","8","2","","Hidetaka Nakai; Xile Hu; Lev N. Zakharov; Arnold L. Rheingold; Karsten Meyer","Synthesis and Characterization of N-Heterocyclic Carbene Complexes of Uranium(III)","Inorganic Chemistry","2004","43","","855","857","10.1021/ic035142j","","","0.71073","MoKα","","0.0857","0.0717","","","0.1597","0.1735","","","","","","1.271","","","","has coordinates,has disorder","179144","2020-10-21","18:00:00",""
"4310602","15.194","0.015","21.32","0.02","27.55","0.03","90","","90","","90","","8924","16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75.75 H124 Co N18 O26.5 P -","- C75.75 H100.5 Co N18 O26.5 P -","- C303 H402 Co4 N72 O106 P4 -","4","1","","Lizhi Ouyang; Paul Rulis; W. Y. Ching; Giorgio Nardin; Lucio Randaccio","Accurate Redetermination of the X-ray Structure and Electronic Bonding in Adenosylcobalamin","Inorganic Chemistry","2004","43","","1235","1241","10.1021/ic0348446","","","0.73733","synchrotron","","0.0667","0.0661","","","0.1869","0.1877","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310610","5.5102","0.0019","10.576","0.004","28.344","0.01","90","","90","","90","","1651.8","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cu N4 O8 S -","- C12 H8 Cu N4 O8 S -","- C48 H32 Cu4 N16 O32 S4 -","4","1","","Miao Du; Ya-Mei Guo; Shen-Tan Chen; Xian-He Bu; Stuart R. Batten; Joan Ribas; Susumu Kitagawa","Preparation of Acentric Porous Coordination Frameworks from an Interpenetrated Diamondoid Array through Anion-Exchange Procedures: Crystal Structures and Properties","Inorganic Chemistry","2004","43","","1287","1293","10.1021/ic0351242","","","0.71073","MoKα","","0.06","0.0406","","","0.0703","0.0754","","","","","","0.995","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310617","8.6482","0.0006","13.5555","0.0011","16.6312","0.0014","90","","90","","90","","1949.7","0.3","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- As2 Cd F20 Xe4 -","- As2 Cd F20 Xe4 -","- As8 Cd4 F80 Xe16 -","4","1","","Gašper Tavčar; Primož Benkič; Boris Žemva","New coordination compounds of Cd(AsF~6~)~2~ with HF and XeF~2~","Inorganic Chemistry","2004","43","","1452","1457","10.1021/ic035166q","","","0.71069","MoKα","","0.0431","0.0366","","","0.076","0.0812","","","","","","1.079","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310632","9.4788","0.0006","9.9354","0.0006","35.677","0.002","90","","90","","90","","3359.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cu N3 O2 -","- C19 H17 Cu N3 O2 -","- C152 H136 Cu8 N24 O16 -","8","2","","Sara R. Halper; Mitchell R. Malachowski; Heather M. Delaney; Seth M. Cohen","Heteroleptic Copper Dipyrromethene Complexes: Synthesis, Structure, and Coordination Polymers","Inorganic Chemistry","2004","43","","1242","1249","10.1021/ic0352295","","","0.71073","MoKα","","0.0359","0.033","","","0.0727","0.0738","","","","","","1.044","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310649","8.9797","0.0005","12.4108","0.0004","15.5528","0.0009","90","","90","","90","","1733.29","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H29 Cl3 Co N5 O2 -","- C11 H29 Cl3 Co N5 O2 -","- C44 H116 Cl12 Co4 N20 O8 -","4","1","","Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation","Inorganic Chemistry","2004","43","","1689","1696","10.1021/ic034912o","","","0.71073","MoKα","","0.0373","0.0323","","","0.071","0.0735","","","","","","1.071","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4310656","7.13","0.0003","9.3351","0.0005","25.8486","0.0013","90","","90","","90","","1720.46","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H22 Cl2 Cu N4 O8 -","- C9 H22 Cl2 Cu N4 O8 -","- C36 H88 Cl8 Cu4 N16 O32 -","4","1","","Paul V. Bernhardt; Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry","Functionalized Macrocycles from Functionalized Tetra-Amines: Pendent-Arm Macrocycles Derived from Dichloropivalic Acid","Inorganic Chemistry","2004","43","","1681","1688","10.1021/ic034913g","","","0.71073","MoKα","","0.063","0.05","","","0.117","0.1244","","","","","","1.048","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310697","5.0349","0.0002","9.4539","0.0004","18.6092","0.0008","90","","90","","90","","885.79","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N2 O6 P Zn -","- C4 H9 N2 O6 P Zn -","- C16 H36 N8 O24 P4 Zn4 -","4","1","","Laura E. Gordon; William T. A. Harrison","Amino Acid Templating of Inorganic Networks: Synthesis and Structure of l-Asparagine Zinc Phosphite, C4N2O3H8.ZnHPO3","Inorganic Chemistry","2004","43","","1808","1809","10.1021/ic0346127","","","0.71073","MoKα","","0.0281","0.0237","","","0.0535","0.0547","","","","","","0.966","","","","has coordinates","179145","2020-10-21","18:00:00",""
"4310716","11.8498","0.0005","12.236","0.0006","24.4645","0.0011","90","","90","","90","","3547.2","0.3","110","2","110","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C13 H4 K7 Mo4 N12 Na O6 Se4 -","- C13 K7 Mo4 N12 Na O5.99 Se4 -","- C52 K28 Mo16 N48 Na4 O23.96 Se16 -","4","1","","Carmela Magliocchi; Xiaobing Xie; Timothy Hughbanks","Cyanide-Melt Synthesis of Reduced Molybdenum Selenide Clusters","Inorganic Chemistry","2004","43","","1902","1911","10.1021/ic035050u","","","0.71073","MoKα","","0.0217","0.0203","","","0.0492","0.0495","","","","","","1.043","","","","has coordinates,has disorder","179146","2020-10-21","18:00:00",""
"4310728","12.192","0.001","12.428","0.001","19.396","0.001","90","","90","","90","","2938.9","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ammonium Dicalcium Hexathiotriarsenate(III)-Ammonia(1/13)","","- As3 Ca H43 N14 S6 -","- As3 Ca H43 N14 S6 -","- As12 Ca4 H172 N56 S24 -","4","1","","Thomas Rossmeier; Markus Reil; Nikolaus Korber","First Characterization of the Ammine-Ammonium Complex [{NH4(NH3)4}2(μ-NH3)2]2+ in the Crystal Structure of [NH4(NH3)4][B(C6H5)4].NH3 and the [NH4(NH3)4]+ Complex in [NH4(NH3)4][Ca(NH3)7]As3S6.2NH3 and [NH4(NH3)4][Ba(NH3)8]As3S6.NH3","Inorganic Chemistry","2004","43","","2206","2212","10.1021/ic035175z","","","0.71073","MoKα","","0.0527","0.0332","","","0.0511","0.0544","","","","","","0.773","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310729","12.393","","12.63","","19.382","","90","","90","","90","","3033.74","","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ammonium Dibarium Hexathiotriarsenate(III)-Ammonia(1/13)","","- As3 Ba H43 N14 S6 -","- As3 Ba H43 N14 S6 -","- As12 Ba4 H172 N56 S24 -","4","1","","Thomas Rossmeier; Markus Reil; Nikolaus Korber","First Characterization of the Ammine-Ammonium Complex [{NH4(NH3)4}2(μ-NH3)2]2+ in the Crystal Structure of [NH4(NH3)4][B(C6H5)4].NH3 and the [NH4(NH3)4]+ Complex in [NH4(NH3)4][Ca(NH3)7]As3S6.2NH3 and [NH4(NH3)4][Ba(NH3)8]As3S6.NH3","Inorganic Chemistry","2004","43","","2206","2212","10.1021/ic035175z","","","0.71073","MoKα","","0.037","0.0326","","","0.0765","0.0777","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4310797","4.8848","0.0003","8.0205","0.0007","19.5581","0.0013","90","","90","","90","","766.26","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 N O5 P -","- C6 H8 N O5 P -","- C24 H32 N4 O20 P4 -","4","1","","Xin-min Gan; Iris Binyamin; Brian M. Rapko; Jesse Fox; Eileen N. Duesler; Robert T. Paine","Hydrogen Bonded Framework Structures Constructed from 2-(Pyridyl N-oxide) Methylphosphonic Acid Ligands and Erbium(III)","Inorganic Chemistry","2004","43","","2443","2448","10.1021/ic0351850","","","0.71073","MoKα","","0.0237","0.0224","","0.0671","0.0661","","","","1.054","1.065","1.065","","","","","has coordinates","179146","2020-10-21","18:00:00",""
"4310819","10.7893","0.0005","17.5542","0.0009","18.2354","0.0009","90","","90","","90","","3453.7","0.3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-[Mo2(DAniF)2(OAc)2]","","","- C34 H36 Mo2 N4 O8 -","- C34 H36 Mo2 N4 O8 -","- C136 H144 Mo8 N16 O32 -","4","1","","F. Albert Cotton; Chun Y. Liu; Carlos A. Murillo","Systematic Preparation of Mo24+ Building Blocks for Supramolecular Assemblies","Inorganic Chemistry","2004","43","","2267","2276","10.1021/ic035433s","","","0.71073","MoKα","","0.0245","0.0223","","","0.0568","0.0586","","","","","","1.076","","","","has coordinates,has disorder","179147","2020-10-21","18:00:00",""
"4310834","7.654","0.002","13.368","0.002","14.662","0.002","90","","90","","90","","1500.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H22 Cl4 Co N5 Zn -","- C5 H22 Cl4 Co N5 Zn -","- C20 H88 Cl16 Co4 N20 Zn4 -","4","1","","Pauli Kofod; Pernille Harris","NMR Spectroscopic and X-ray Crystallographic Study of Methylcobalt(III) Compounds with Saturated Amine Ligands","Inorganic Chemistry","2004","43","","2680","2688","10.1021/ic0302682","","","0.7107","MoKα","","0.0405","0.0306","","","0.1253","0.1506","","","","","","1.304","","","","has coordinates","179147","2020-10-21","18:00:00",""
"4310910","17.082","0.005","13.275","0.002","10.479","0.002","90","","90","","90","","2376.3","0.9","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl2 N5 O5 Ru -","- C21 H17 Cl2 N5 O5 Ru -","- C84 H68 Cl8 N20 O20 Ru4 -","4","1","","Christopher M. Kepert; Glen B. Deacon; Norma Sahely; Leone Spiccia; Gary D. Fallon; Brian W. Skelton; Allan H. White","Synthesis of Heteroleptic Bis(diimine)carbonylchlororuthenium(II) Complexes from Photodecarbonylated Precursors","Inorganic Chemistry","2004","43","","2818","2827","10.1021/ic0351895","","","0.71073","MoKα","","0.089","0.052","","0.071","","0.06","","","1.13","","","1.202","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4310939","12.694","0.003","13.083","0.002","19.418","0.004","90","","90","","90","","3224.9","1.1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H48 Ag Cl N9 O4 P3 -","- C24 H48 Ag Cl N9 O4 P3 -","- C96 H192 Ag4 Cl4 N36 O16 P12 -","4","1","","Philip I. Richards; Alexander Steiner","Cyclophosphazenes as Nodal Ligands in Coordination Polymers","Inorganic Chemistry","2004","43","","2810","2817","10.1021/ic035455e","","","0.71073","MoKα","","0.0421","0.032","","","0.0578","0.0596","","","","","","0.901","","","","has coordinates,has disorder","179148","2020-10-21","18:00:00",""
"4311017","9.836","0.003","13.185","0.0016","13.262","0.003","90","","90","","90","","1719.9","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H26 B9 Ni O P -","- C9 H26 B9 Ni O P -","- C36 H104 B36 Ni4 O4 P4 -","4","1","","Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone","Synthesis, Structure and Dynamics of Nickelacarboranes Incorporating the [nido-7,9-C~2~B~9~H~11~]^2-^ Ligand","Inorganic Chemistry","2004","43","","3090","3097","10.1021/ic035458r","","","0.71073","MoKα","","0.0557","0.0395","","","0.0737","0.0789","","","","","","1.024","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311032","13.5816","0.0008","15.0241","0.0009","21.6332","0.0013","90","","90","","90","","4414.3","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","holne24","","","- C47 H71 Fe N3 -","- C47 H71 Fe N3 -","- C188 H284 Fe4 N12 -","4","1","","Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland","Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity","Inorganic Chemistry","2004","43","","3306","3321","10.1021/ic035483x","","","0.71073","MoKα","","0.0496","0.044","","","0.1049","0.1075","","","","","","1.063","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311045","8.177","0.004","18.907","0.007","19.642","0.008","90","","90","","90","","3037","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Co N3 O7 -","- C31 H40 Co N3 O7 -","- C124 H160 Co4 N12 O28 -","4","1","","Renata Dreos; Giorgio Nardin; Lucio Randaccio; Patrizia Siega; Giovanni Tauzher","Synthesis, Characterization, and Solution Behavior of Optically Active cisβ Organocobalt Salen Complexes with l-Amino Acids","Inorganic Chemistry","2004","43","","3433","3440","10.1021/ic035059w","","","0.71069","MoKα","","0.0796","0.0554","","","0.1352","0.1561","","","","","","1.02","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311046","8.17","0.03","19","0.04","19.86","0.04","90","","90","","90","","3083","14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Co N3 O7 -","- C31 H40 Co N3 O7 -","- C124 H160 Co4 N12 O28 -","4","1","","Renata Dreos; Giorgio Nardin; Lucio Randaccio; Patrizia Siega; Giovanni Tauzher","Synthesis, Characterization, and Solution Behavior of Optically Active cisβ Organocobalt Salen Complexes with l-Amino Acids","Inorganic Chemistry","2004","43","","3433","3440","10.1021/ic035059w","","","0.71069","MoKα","","0.3267","0.1235","","","0.2842","0.4134","","","","","","0.913","","","","has coordinates","179149","2020-10-21","18:00:00",""
"4311050","13.4399","0.0003","15.7195","0.0005","20.3644","0.0005","90","","90","","90","","4302.4","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H76 Li2 N8 P2 Si2 -","- C30 H76 Li2 N8 P2 Si2 -","- C120 H304 Li8 N32 P8 Si8 -","4","1","","Andrea Armstrong; Tristram Chivers; Masood Parvez; Gabriele Schatte; René T. Boeré","Lithiation of (tBuNH)3PNSiMe3 and Formation of Tetraimidophosphate Complexes Containing M3O3 Rings (M = Li, K): X-ray Structure of the Stable Radical {(Me3SiN)P(μ3-NtBu)3[μ3-Li(THF)]3(OtBu)}","Inorganic Chemistry","2004","43","","3453","3460","10.1021/ic035377v","","","0.71073","MoKα","","0.0774","0.0506","","","0.1148","0.1293","","","","","","1.033","","","","has coordinates,has disorder","179149","2020-10-21","18:00:00",""
"4311122","10.0144","0.0001","10.126","0.0001","20.4363","0.0003","90","","90","","90","","2072.36","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","silver bis(malonitrile) tetrafluoroborate","","","- C12 H8 Ag2 B2 F8 N8 -","- C12 H8 Ag2 B2 F8 N8 -","- C48 H32 Ag8 B8 F32 N32 -","4","1","","Aleema Westcott; Nina Whitford; Michaele J. Hardie","Coordination Polymers with Carborane Anions: Silver Dinitrile Complexes","Inorganic Chemistry","2004","43","","3663","3672","10.1021/ic049849x","","","0.71073","MoKα","","0.0688","0.0637","","","0.19","0.1976","","","","","","1.272","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311190","10.2237","0.0002","19.79","0.0004","21.1923","0.0004","90","","90","","90","","4287.77","0.15","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 Cl3 Mn2 N6 O16 -","- C36 H45 Cl3 Mn2 N6 O16 -","- C144 H180 Cl12 Mn8 N24 O64 -","4","1","","Kenneth Bendix Jensen; Edel Johansen; Frank Bartnik Larsen; Christine J. McKenzie","Mixed Carboxylate-Bridged Dimanganese(II/III) Compounds Prepared by an O~2~-dependent oxidative cleavage of ketones","Inorganic Chemistry","2004","43","","3801","3803","10.1021/ic0498135","","","0.71073","MoKα","","0.0336","0.0316","","","0.0774","0.0794","","","","","","1.107","","","","has coordinates","179150","2020-10-21","18:00:00",""
"4311203","14.963","0.002","16.662","0.002","13.979","0.001","90","","90","","90","","3485.2","0.7","293.2","","293.2","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C14 H37 Cl3 Co2 N8 O13 Pt S5 -","- C14 H35 Cl3 Co2 N8 O13 Pt S5 -","- C56 H140 Cl12 Co8 N32 O52 Pt4 S20 -","4","1","","Masakazu Hirotsu; Ryota Endo; Takashi Yoshimura; Takumi Konno","Sulfur-Bridged CoIIIPtIICoIII Trinuclear Complexes with Mixed Aliphatic and Aromatic Thiolate Ligands: Effect of Nonbridging Ligands on the Homochiral Linkage of Cobalt(III) Octahedrons by Platinum(II)","Inorganic Chemistry","2004","43","","4406","4414","10.1021/ic0303338","","","0.7107","MoKα","","","0.0382","","","0.0278","","","","","1.655","1.655","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311208","10.744","0.001","23.4428","0.001","26.698","0.004","90","","90","","90","","6724.4","1.2","153.2","","153.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 N2 O2 Sn -","- C34.59 N2 O2 Sn -","- C276.72 N16 O16 Sn8 -","8","2","","Huanwang Jing; Smita K. Edulji; Julianne M. Gibbs; Charlotte L. Stern; Hongying Zhou; Sonbinh T. Nguyen","(Salen)Tin Complexes: Syntheses, Characterization, Crystal Structures, and Catalytic Activity in the Formation of Propylene Carbonate from CO2 and Propylene Oxide","Inorganic Chemistry","2004","43","","4315","4327","10.1021/ic034855z","","","0.7107","MoKα","","0.1319","0.05","","0.109","","0.046","","","2.334","","","2.4","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311209","9.9933","0.0007","12.6633","0.0009","29.922","0.002","90","","90","","90","","3786.6","0.5","153.2","","153.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 Cl5 N2 O2 Sn -","- C33 H47 Cl5 N2 O2 Sn -","- C132 H188 Cl20 N8 O8 Sn4 -","4","1","","Huanwang Jing; Smita K. Edulji; Julianne M. Gibbs; Charlotte L. Stern; Hongying Zhou; Sonbinh T. Nguyen","(Salen)Tin Complexes: Syntheses, Characterization, Crystal Structures, and Catalytic Activity in the Formation of Propylene Carbonate from CO2 and Propylene Oxide","Inorganic Chemistry","2004","43","","4315","4327","10.1021/ic034855z","","","0.7107","MoKα","","0.042","0.039","","0.0859","","0.0604","","","12.262","","","2.8","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311230","10.2153","0.0006","12.3643","0.0007","13.8577","0.0009","90","","90","","90","","1750.3","0.18","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(bpb)Ru(NO)(Cl)]","","","- C18 H12 Cl N5 O3 Ru -","- C18 H12 Cl N5 O3 Ru -","- C72 H48 Cl4 N20 O12 Ru4 -","4","1","","Apurba K. Patra; Michael J. Rose; Karen A. Murphy; Marilyn M. Olmstead; Pradip K. Mascharak","Photolabile Ruthenium Nitrosyls with Planar Dicarboxamide Tetradentate N4 Ligands: Effects of In-Plane and Axial Ligand Strength on NO Release","Inorganic Chemistry","2004","43","","4487","4495","10.1021/ic040030t","","","0.71073","MoKα","","0.0218","0.0196","","","0.0507","0.0524","","","","","","1.052","","","","has coordinates","179151","2020-10-21","18:00:00",""
"4311373","9.4015","0.0008","11.5998","0.001","29.392","0.003","90","","90","","90","","3205.4","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H53 B Cl Ni P3 -","- C27 H53 B Cl Ni P3 -","- C108 H212 B4 Cl4 Ni4 P12 -","4","1","","Cora E. MacBeth; J. Christopher Thomas; Theodore A. Betley; Jonas C. Peters","The Coordination Chemistry of ""[BP3]NiX"" Platforms: Targeting Low-Valent Nickel Sources as Promising Candidates to L3NiE and L3Ni\τbE Linkages","Inorganic Chemistry","2004","43","","4645","4662","10.1021/ic049936p","","","0.71073","MoKα","","0.0526","0.0392","","","0.0717","0.0751","","","","","","1.133","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311448","10.298","0.002","11.961","0.002","46.69","0.009","90","","90","","90","","5751","1.8","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H76 Cu N2 O4 P4 Pd2 S4 -","- C50 H74 Cu N2 O4 P4 Pd2 S4 -","- C200 H296 Cu4 N8 O16 P16 Pd8 S16 -","4","1","","Eddie Y. Y. Chan; Qian-Feng Zhang; Yiu-Keung Sau; Samuel M. F. Lo; Herman H. Y. Sung; Ian D. Williams; Richard K. Haynes; Wa-Hung Leung","Chiral Bisphosphinite Metalloligands Derived from a P-Chiral Secondary Phosphine Oxide","Inorganic Chemistry","2004","43","","4921","4926","10.1021/ic049744u","","","0.71073","MoKα","","0.0562","0.048","","","0.08","0.0827","","","","","","1.059","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311451","9.5361","0.0008","15.3206","0.0012","20.0421","0.0016","90","","90","","90","","2928.1","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 N O2 P2 Pd S2 -","- C25 H39 N O2 P2 Pd S2 -","- C100 H156 N4 O8 P8 Pd4 S8 -","4","1","","Eddie Y. Y. Chan; Qian-Feng Zhang; Yiu-Keung Sau; Samuel M. F. Lo; Herman H. Y. Sung; Ian D. Williams; Richard K. Haynes; Wa-Hung Leung","Chiral Bisphosphinite Metalloligands Derived from a P-Chiral Secondary Phosphine Oxide","Inorganic Chemistry","2004","43","","4921","4926","10.1021/ic049744u","","","0.71073","MoKα","","0.0564","0.0397","","","0.0868","0.0942","","","","","","1.012","","","","has coordinates","179153","2020-10-21","18:00:00",""
"4311469","8.8894","0.0006","11.7764","0.0009","18.1078","0.0014","90","","90","","90","","1895.6","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O5 V -","- C20 H20 N2 O5 V -","- C80 H80 N8 O20 V4 -","4","1","","Karuppasamy Kandasamy; Harkesh B. Singh; Ray J. Butcher; Jerry P. Jasinski","Synthesis, Structure, and Catalytic Properties of VIV, MnIII, MoVI, and UVI Complexes Containing Bidentate (N, O) Oxazine and Oxazoline Ligands","Inorganic Chemistry","2004","43","","5704","5713","10.1021/ic0352093","","","0.71073","MoKα","","0.1781","0.047","","","0.0504","0.0624","","","","","","0.81","","","","has coordinates,has disorder","179153","2020-10-21","18:00:00",""
"4311500","8.015","0.0003","13.612","0.0005","18.662","0.0006","90","","90","","90","","2036.03","0.13","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 Cl Cu N5 O7 -","- C17 H26 Cl Cu N5 O7 -","- C68 H104 Cl4 Cu4 N20 O28 -","4","1","","Michel Meyer; Laurent Frémond; Enrique Espinosa; Roger Guilard; Zhongping Ou; Karl M. Kadish","Synthesis, Characterization, and X-ray Crystal Structures of Cyclam Derivatives. 5. Copper(II) Binding Studies of a Pyridine-Strapped 5,12-Dioxocyclam-Based Macrobicycle1","Inorganic Chemistry","2004","43","","5572","5587","10.1021/ic049518k","","","0.7107","MoKα","","0.0543","0.0413","","","0.0927","0.0992","","","","","","1.023","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311505","12.5824","0.0009","13.0371","0.0009","20.4108","0.0014","90","","90","","90","","3348.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 Hg I5 Nd O5 -","- C20 H40 Hg I5 Nd O5 -","- C80 H160 Hg4 I20 Nd4 O20 -","4","1","","Louise Huebner; Anna Kornienko; Thomas J. Emge; John G. Brennan","Heterometallic Lanthanide Group 12 Metal Iodides","Inorganic Chemistry","2004","43","","5659","5664","10.1021/ic049560f","","","0.71073","MoKα","","0.0384","0.0323","","","0.0635","0.0655","","","","","","0.966","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311584","12.104","0.005","14.875","0.006","22.512","0.008","90","","90","","90","","4053","3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 Cl Cr N2 O2 -","- C40 H62 Cl Cr N2 O2 -","- C160 H248 Cl4 Cr4 N8 O8 -","4","1","","Donald J. Darensbourg; Ryan M. Mackiewicz; Jody L. Rodgers; Cindy C. Fang; Damon R. Billodeaux; Joseph H. Reibenspies","Cyclohexene Oxide/CO2 Copolymerization Catalyzed by Chromium(III) Salen Complexes and N-Methylimidazole: Effects of Varying Salen Ligand Substituents and Relative Cocatalyst Loading","Inorganic Chemistry","2004","43","","6024","6034","10.1021/ic049182e","","","0.71073","MoKα","","0.3237","0.0602","","","0.116","0.2052","","","","","","0.675","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311590","12.0042","0.0016","18.811","0.003","49.657","0.007","90","","90","","90","","11213","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[N{(C3F7)C(Dipp)N}2]CuNCCH3","","","- C34 H37 Cu F14 N4 -","- C34 H37 Cu F14 N4 -","- C408 H444 Cu12 F168 N48 -","12","3","","H. V. Rasika Dias; Shreeyukta Singh","Copper(I) Complexes of Fluorinated Triazapentadienyl Ligands: Synthesis and Characterization of [N{(C3F7)C(Dipp)N}2]CuL (Where L = NCCH3, CNBut, CO; Dipp = 2,6-Diisopropylphenyl)","Inorganic Chemistry","2004","43","","5786","5788","10.1021/ic049229w","","","0.71073","MoKα","","0.0493","0.0438","","","0.0953","0.0973","","","","","","1.132","","","","has coordinates","179154","2020-10-21","18:00:00",""
"4311601","15.709","0.003","16.58","0.004","17.556","0.004","90","","90","","90","","4572.6","1.8","168","2","168","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(4) Rb4(DMP)4(THF)2*(THF)solv","","","- C44 H60 O7 Rb4 -","- C40 O6 Rb4 -","- C160 O24 Rb16 -","4","1","","Scott D. Bunge; Timothy J. Boyle; Harry D. Pratt; Todd M. Alam; Mark A. Rodriguez","Synthesis and Characterization of a Series of Rubidium Alkoxides and Rubidium-Titanium Double Alkoxides","Inorganic Chemistry","2004","43","","6035","6041","10.1021/ic049325x","","","0.71073","MoKα","","0.14","0.0766","","","0.1583","0.1784","","","","","","0.96","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311641","13.887","0.002","15.501","0.003","9.288","0.003","90","","90","","90","","1999.4","0.8","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","trans-(7H-Adeninato-κN^9^)aquobis(ethane-1,2-diamine)cobalt(III) Hydrogenphosphate Trihydrate","","- C9 H29 Co N9 O8 P -","- C9 H27 Co N9 O8 P -","- C36 H108 Co4 N36 O32 P4 -","4","1","","Takayoshi Suzuki; Yoko Hirai; Hideaki Monjushiro; Sumio Kaizaki","Cobalt(III) Complexes of Monodentate N(9)-Bound Adeninate (ade-), [Co(ade-κN9)Cl(en)2]+ (en = 1,2-Diaminoethane): Syntheses, Crystal Structures, and Protonation Behaviors of the Geometrical Isomers","Inorganic Chemistry","2004","43","","6435","6444","10.1021/ic035336z","","","0.71069","MoKα","","0.0852","0.0478","","","0.1223","0.1388","","","","","","1.055","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311682","14.0191","0.0003","15.4816","0.0002","18.299","0.0005","90","","90","","90","","3971.58","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","cis-dichloro(methylamino-N,N-bis(2-methylene-4,6-di- methylphenolato)oxotungsten(VI)","","- C19 H23 Cl2 N O3 W -","- C19 H23 Cl2 N O3 W -","- C152 H184 Cl16 N8 O24 W8 -","8","2","","Ari Lehtonen; Reijo Sillanpää","Tungsten(VI) Complexes with Aminobis(phenolato) [O,N,O] Donor Ligands","Inorganic Chemistry","2004","43","","6501","6506","10.1021/ic049448h","","x-ray","0.71073","MoKα","","0.0522","0.0336","","","0.0582","0.0624","","","","","","1.016","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4311749","8.5388","0.0006","10.7467","0.0007","18.1127","0.0011","90","","90","","90","","1662.09","0.19","153","2","153","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Mo3 N2 O14 S -","- C5 Mo3 N2 O14 S -","- C20 Mo12 N8 O56 S4 -","4","1","","Jesse R. Gutnick; Eric A. Muller; Amy Narducci Sarjeant; Alexander J. Norquist","[C~5~N~2~H~14~][(MoO~3~)~3~(SO~4~)].H~2~O: Sulfated a-Molybdena Chains","Inorganic Chemistry","2004","43","","6528","6530","10.1021/ic049192f","","","0.7107","MoKα","","0.0499","0.0243","","0.0779","0.0585","0.0585","","","","","","0.889","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311762","12.0421","0.0003","12.8448","0.0003","33.9332","0.0009","90","","90","","90","","5248.7","0.2","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(tris-(2-methylammoniumethyl)amine)","","- C27 H69 Cl3 Cu2 N12 O18 S4 -","- C27 H69 Cl3 Cu2 N12 O18 S4 -","- C108 H276 Cl12 Cu8 N48 O72 S16 -","4","1","","Adam J. Fischmann; Andrew C. Warden; Jay Black; Leone Spiccia","Synthesis, Characterization, and Structures of Copper(II)-Thiosulfate Complexes Incorporating Tripodal Tetraamine Ligands","Inorganic Chemistry","2004","43","","6568","6578","10.1021/ic0492800","","","0.71073","MoKα","","0.1524","0.094","","","0.2045","0.2321","","","","","","1.088","","","","has coordinates","179156","2020-10-21","18:00:00",""
"4311919","8.5346","0.0005","14.941","0.0009","17.9284","0.001","90","","90","","90","","2286.1","0.2","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 Bi Br3.3 I1.7 N2 -","- C13 H28 Bi Br3.304 I1.696 N2 -","- C52 H112 Bi4 Br13.216 I6.784 N8 -","4","1","","Goforth, Andrea M.; Smith, Mark D.; Peterson, Jr, LeRoy; zur Loye, Hans-Conrad","Preparation and Characterization of Novel Inorganic-Organic Hybrid Materials Containing Rare, Mixed-Halide Anions of Bismuth(III)","Inorganic Chemistry","2004","43","22","7042","7049","10.1021/ic049212d","","","0.71073","MoKα","","0.0377","0.0328","","","0.0731","0.075","","","","","","1.031","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4311920","8.5189","0.0005","14.8988","0.0009","17.9984","0.0011","90","","90","","90","","2284.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 Bi Br4.01 I0.99 N2 -","- C13 H28 Bi Br4.01 I0.99 N2 -","- C52 H112 Bi4 Br16.04 I3.96 N8 -","4","1","","Goforth, Andrea M.; Smith, Mark D.; Peterson, Jr, LeRoy; zur Loye, Hans-Conrad","Preparation and Characterization of Novel Inorganic-Organic Hybrid Materials Containing Rare, Mixed-Halide Anions of Bismuth(III)","Inorganic Chemistry","2004","43","22","7042","7049","10.1021/ic049212d","","","0.71073","MoKα","","0.027","0.0248","","","0.0577","0.0587","","","","","","1.023","","","","has coordinates","133739","2020-10-21","18:00:00",""
"4311925","12.859","0.001","10.529","0.001","24.102","0.002","90","","90","","90","","3263.2","0.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 Cl N2 O2 P Pd -","- C34 H40 Cl N2 O2 P Pd -","- C136 H160 Cl4 N8 O8 P4 Pd4 -","4","1","","Jean-Philippe Taquet; Olivier Siri; Pierre Braunstein; Richard Welter","Stepwise Synthesis, Structures, and Reactivity of Mono-, Di-, and Trimetallic Metal Complexes with a 6π + 6π Quinonoid Zwitterion","Inorganic Chemistry","2004","43","","6944","6953","10.1021/ic049263a","","","0.71069","MoKα","","0.0775","0.0476","","","0.0872","0.1136","","","","","","1.047","","","","has coordinates","179158","2020-10-21","18:00:00",""
"4311941","12.952","0.0011","16.2382","0.0015","20.5194","0.0019","90","","90","","90","","4315.6","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 Cl3 Fe2 N10 O15 -","- C33 H49 Cl3 Fe2 N10 O15 -","- C132 H196 Cl12 Fe8 N40 O60 -","4","1","","Sonia Taktak; Sergey V. Kryatov; Elena V. Rybak-Akimova","Reactivity of a (μ-Oxo)(μ-hydroxo)diiron(III) Diamond Core with Water, Urea, Substituted Ureas, and Acetamide","Inorganic Chemistry","2004","43","","7196","7209","10.1021/ic049371x","","","0.71073","MoKα","","0.2101","0.0878","","","0.2","0.2399","","","","","","0.936","","","","has coordinates,has disorder","179158","2020-10-21","18:00:00",""
"4311976","11.0459","0.0003","18.73","0.0006","22.9226","0.0007","90","","90","","90","","4742.4","0.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 Br6 N12 O9 Re2 -","- C26 H42 Br6 N12 O9 Re2 -","- C104 H168 Br24 N48 O36 Re8 -","4","1","","Christian Tessier; Fernande D. Rochon; André L. Beauchamp","Binding of the Oxo-Rhenium(V) Core to Methionine and to N-Terminal Histidine Dipeptides","Inorganic Chemistry","2004","43","","7463","7473","10.1021/ic048776e","","","1.54178","CuKα","","0.1016","0.0541","","","0.0758","0.086","","","","","","0.877","","","","has coordinates,has disorder","288183","2023-12-08","14:42:58",""
"4312011","8.0902","0.0004","12.3661","0.0007","13.6035","0.0007","90","","90","","90","","1360.95","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H23 Br N5 P -","- C9 H23 Br N5 P -","- C36 H92 Br4 N20 P4 -","4","1","","Xiaodong Liu; Natesan Thirupathi; Ilia A. Guzei; John G. Verkade","An Investigation of Staudinger Reactions Involving cis-1,3,5-Triazidocyclohexane and Tri(alkylamino)phosphines","Inorganic Chemistry","2004","43","","7431","7440","10.1021/ic0492845","","","0.71073","MoKα","","0.0253","0.024","","","0.0629","0.0634","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312055","11.131","0.003","13.696","0.002","22.431","0.005","90","","90","","90","","3419.6","1.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 Cl3 Ge N2 -","- C36 H42 Cl3 Ge N2 -","- C144 H168 Cl12 Ge4 N8 -","4","1","","Igor L. Fedushkin; Natalie M. Khvoinova; Andrey Yu. Baurin; Georgii K. Fukin; Vladimir K. Cherkasov; Mikhail P. Bubnov","Divalent Germanium Compound with a Radical-Anionic Ligand: Molecular Structures of (dpp-BIAN).-GeCl and Its Hydrochloration Products [(dpp-BIAN)(H)2].+[GeCl3]- and [{(dpp-BIAN)(H)2.+}2(Cl-)]+[GeCl3]- (dpp-BIAN = 1,2-Bis{(2,6-diisopropylphenyl)imino}acenaphthene)","Inorganic Chemistry","2004","43","","7807","7815","10.1021/ic048801g","","","0.71073","MoKα","","0.0392","0.0321","","","0.0694","0.0722","","","","","","0.948","","","","has coordinates","179159","2020-10-21","18:00:00",""
"4312113","10.8148","0.0002","11.7393","0.0002","14.0895","0.0003","90","","90","","90","","1788.78","0.06","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl2 N6 Pd -","- C15 H26 Cl2 N6 Pd -","- C60 H104 Cl8 N24 Pd4 -","4","1","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Multiple Coordination Geometries Supported by Methylene-Linked Guanidines","Inorganic Chemistry","2004","43","","7564","7566","10.1021/ic0495416","","x-ray","0.71073","MoKα","","0.0201","0.0192","","","0.0465","0.0469","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312115","9.3182","0.0005","12.1779","0.0004","15.3485","0.0009","90","","90","","90","","1741.69","0.15","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","[PdCl2(hppH)2] orthorhombic","","","- C14 H26 Cl2 N6 Pd -","- C14 H26 Cl2 N6 Pd -","- C56 H104 Cl8 N24 Pd4 -","4","1","","Sarah H. Oakley; Martyn P. Coles; Peter B. Hitchcock","Multiple Coordination Geometries Supported by Methylene-Linked Guanidines","Inorganic Chemistry","2004","43","","7564","7566","10.1021/ic0495416","","x-ray","0.7107","MoKα","","0.0273","0.0253","","","0.0623","0.0639","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312116","7.457","0.0009","10.7509","0.0012","16.7389","0.0019","90","","90","","90","","1341.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","fac-[tricarbonyl(ethylendiamine-N-acetato-N'-aceticacid)rhenium(I)] monohydrate Isomer A","","- C9 H13 N2 O8 Re -","- C9 H13 N2 O8 Re -","- C36 H52 N8 O32 Re4 -","4","1","","Malgorzata Lipowska; Renzo Cini; Gabriella Tamasi; Xiaolong Xu; Andrew T. Taylor; Luigi G. Marzilli","Complexes Having the fac-{M(CO)3}+ Core (M = Tc, Re) Useful in Radiopharmaceuticals: X-ray and NMR Structural Characterization and Density Functional Calculations of Species Containing Two sp3 N Donors and One sp3 O Donor","Inorganic Chemistry","2004","43","","7774","7783","10.1021/ic049544i","","","0.71073","MoKα","","0.0216","0.0211","","","0.0509","0.051","","","","","","1.048","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312153","6.7172","0.0006","7.8064","0.0007","14.6333","0.0014","90","","90","","90","","767.33","0.12","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Me2-NH2-tetrazole][NO3]","","","- C3 H8 N6 O3 -","- C3 H8 N6 O3 -","- C12 H32 N24 O12 -","4","1","","Hong Xue; Sean W. Arritt; Brendan Twamley; Jean'ne M. Shreeve","Energetic Salts from N-Aminoazoles","Inorganic Chemistry","2004","43","","7972","7977","10.1021/ic048890x","","","0.71073","MoKα","","0.0524","0.0411","","","0.0883","0.0924","","","","","","1.058","","","","has coordinates","179160","2020-10-21","18:00:00",""
"4312177","11.145","0.002","12.848","0.002","40.159","0.003","90","","90","","90","","5750.4","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 N O12 S24 Sb2 -","- C40 H31 N O12 S24 Sb2 -","- C160 H124 N4 O48 S96 Sb8 -","4","1","","Eugenio Coronado; José R. Galán-Mascarós; Carlos J. Gómez-García; Ana Murcia-Martínez; Enric Canadell","A Chiral Molecular Conductor: Synthesis, Structure, and Physical Properties of [ET]3[Sb2(l-tart)2].CH3CN (ET = Bis(ethylendithio)tetrathiafulvalene; l-tart = (2R,3R)-(+)-Tartrate)","Inorganic Chemistry","2004","43","","8072","8077","10.1021/ic049257e","","","0.71069","MoKα","","0.0662","0.04","","","0.0736","0.0793","","","","","","0.969","","","","has coordinates,has disorder","179160","2020-10-21","18:00:00",""
"4312189","16.1399","0.0006","19.5241","0.0007","33.5507","0.001","90","","90","","90","","10572.4","0.6","153","2","153","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C96.5 H101 Cl17 Cu2 F12 Fe2 N8 P2 -","- C88 H84 Cu2 F12 Fe2 N8 P2 -","- C352 H336 Cu8 F48 Fe8 N32 P8 -","4","1","","Boris Quinodoz; Gaël Labat; Helen Stoeckli-Evans; Alex von Zelewsky","Chiral Induction in Self-Assembled Helicates: CHIRAGEN Type Ligands with Ferrocene Bridging Units","Inorganic Chemistry","2004","43","","7994","8004","10.1021/ic049913a","","","0.71073","MoKα","","0.1053","0.0846","","","0.2192","0.2324","","","","","","0.991","","","","has coordinates","288183","2023-12-08","14:42:58",""
"4312216","9.9136","0.0012","10.1719","0.0012","23.553","0.003","90","","90","","90","","2375.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 B3 N3 O6 -","- C25 H26 B3 N3 O6 -","- C100 H104 B12 N12 O24 -","4","1","","Gabriela Vargas; Irán Hernández; Herbert Höpfl; María-Eugenia Ochoa; Dolores Castillo; Norberto Farfán; Rosa Santillan; Elizabeth Gómez","Preparation and Structural Characterization of Three Types of Homo- and Heterotrinuclear Boron Complexes: Salen{[B-O-B][O2BOH]}, Salen{[B-O-B][O2BPh]}, and Salen{[B-O-B][O2P(O)Ph]}","Inorganic Chemistry","2004","43","","8490","8500","10.1021/ic048862e","","","0.71073","MoKα","","0.0422","0.04","","","0.0837","0.0846","","","","","","1.178","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312259","14.81","0.002","14.894","0.002","22.232","0.003","90","","90","","90","","4903.9","1.1","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","{tris-[mu-(acetato)]-[mu-(di(2,6-xylyl)formamidinato)]-diruthenium(II,III)} -[di(2,6-xylyl)formamidine)] chloride toluene solvate","","- C47 H55 Cl N4 O6 Ru2 -","- C47 H55 Cl N4 O6 Ru2 -","- C188 H220 Cl4 N16 O24 Ru8 -","4","1","","Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang","Paramagnetic Precursors for Supramolecular Assemblies: Selective Syntheses, Crystal Structures, and Electrochemical and Magnetic Properties of Ru2(O2CMe)4-n(formamidinate)nCl Complexes,n= 1-4","Inorganic Chemistry","2004","43","","8290","8300","10.1021/ic049108w","","","0.71073","MoKα","","0.067","0.0557","","","0.1366","0.1471","","","","","","1.119","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312269","12.777","0.003","18.352","0.004","24.604","0.005","90","","90","","90","","5769","2","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","p-tert.Butylcalix[4]arene tri(methyl)phosphine molybdenum(IV)","","","- C58 H73 Mo N O4 P -","- C58 H73 Mo N O4 P -","- C232 H292 Mo4 N4 O16 P4 -","4","1","","Udo Radius; J. Attner","The (Calix[4]arene)chloromolybdate(IV) Anion [MoCl(Calix)]-: A Convenient Entry into Molybdenum Calix[4]arene Chemistry","Inorganic Chemistry","2004","43","","8587","8599","10.1021/ic049155o","","","0.71073","MoKα","","0.0848","0.0634","","","0.1666","0.1782","","","","","","0.985","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312294","12.0887","0.0002","13.0935","0.0002","17.6673","0.0003","90","","90","","90","","2796.44","0.08","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H12 B Cu F16 N4 -","- C28 H12 B Cu F16 N4 -","- C112 H48 B4 Cu4 F64 N16 -","4","1","","Andrey Yu. Kovalevsky; Milan Gembicky; Philip Coppens","Cu(I)(2,9-Bis(trifluoromethyl)-1,10-phenanthroline)2+ Complexes: Correlation between Solid-State Structure and Photoluminescent Properties","Inorganic Chemistry","2004","43","","8282","8289","10.1021/ic049638s","","","0.71073","MoKα","","0.042","0.0345","","","0.087","0.0927","","","","","","1.08","","","","has coordinates","179161","2020-10-21","18:00:00",""
"4312295","12.3673","0.0002","13.4042","0.0002","17.7511","0.0003","90","","90","","90","","2942.67","0.08","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H12 Cu F18 N4 P -","- C28 H12 Cu F18 N4 P -","- C112 H48 Cu4 F72 N16 P4 -","4","1","","Andrey Yu. Kovalevsky; Milan Gembicky; Philip Coppens","Cu(I)(2,9-Bis(trifluoromethyl)-1,10-phenanthroline)2+ Complexes: Correlation between Solid-State Structure and Photoluminescent Properties","Inorganic Chemistry","2004","43","","8282","8289","10.1021/ic049638s","","","0.71073","MoKα","","0.0643","0.0448","","","0.1088","0.1244","","","","","","1.072","","","","has coordinates,has disorder","179161","2020-10-21","18:00:00",""
"4312415","9.3322","0.0001","9.7743","0.0002","13.8897","0.0003","90","","90","","90","","1266.96","0.04","150","","150","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H28 N4 O20 S4 U2 -","- C8 H28 N4 O20 S4 U2 -","- C16 H56 N8 O40 S8 U4 -","2","0.5","","Michael B. Doran; Alexander J. Norquist; Dermot O'Hare","Exploration of Composition Space in Templated Uranium Sulfates","Inorganic Chemistry","2003","42","","6989","6995","10.1021/ic034540j","","","0.71073","MoKα","","0.0227","0.0218","","0.056","0.0551","0.0551","","","","","","0.8932","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312424","13.0526","0.0014","20.666","0.002","22.719","0.002","90","","90","","90","","6128.3","1","158","2","158","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C54 H72 Ge N2 P2 Pd S2 Si4 -","- C54 H72 Ge N2 P2 Pd S2 Si4 -","- C216 H288 Ge4 N8 P8 Pd4 S8 Si16 -","4","1","","Zuzanna T. Cygan; Jeff W. Kampf; Mark M. Banaszak Holl","Reactions of Palladium Germylene Complexes: Formation of Sulfide Bridges","Inorganic Chemistry","2003","42","","7219","7226","10.1021/ic034613z","","","0.71073","MoKα","","0.0432","0.0352","","","0.077","0.0799","","","","","","1.049","","","","has coordinates","179163","2020-10-21","18:00:00",""
"4312509","9.2538","0.0003","11.017","0.0003","13.1671","0.0003","90","","90","","90","","1342.37","0.06","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","PtCl4(NHCN(Me)2)2O","","","- C6 H14 Cl4 N4 O Pt -","- C6 H14 Cl4 N4 O Pt -","- C24 H56 Cl16 N16 O4 Pt4 -","4","1","","Nadezhda A. Bokach; Tatyana B. Pakhomova; Vadim Yu. Kukushkin; Matti Haukka; Armando J. L. Pombeiro","Hydrolytic Metal-Mediated Coupling of Dialkylcyanamides at a Pt(IV) Center Giving a New Family of Diimino Ligands","Inorganic Chemistry","2003","42","","7560","7568","10.1021/ic034800x","","","0.71073","MoKα","","0.0293","0.0255","","","0.0543","0.0556","","","","","","1.087","","","","has coordinates","179164","2020-10-21","18:00:00",""
"4312604","9.9723","0.0013","10.4851","0.0013","10.5565","0.0014","90","","90","","90","","1103.8","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N5 O2 Zn -","- C10 H9 N5 O2 Zn -","- C40 H36 N20 O8 Zn4 -","4","1","","Zhi-Rong Qu; Hong Zhao; Xi-Sen Wang; Yong-Hua Li; Yu-Mei Song; Yu-juan Liu; Qiong Ye; Ren-Gen Xiong; Brendan F. Abrahams; Zi-Ling Xue; Xiao-Zeng You","Homochiral Zn and Cd Coordination Polymers Containing Amino Acid-Tetrazole Ligands","Inorganic Chemistry","2003","42","","7710","7712","10.1021/ic034685q","","","0.71073","MoKα","","0.0305","0.029","","","0.085","0.0864","","","","","","0.716","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4312605","9.9969","0.0009","10.8731","0.001","10.873","","90","","90","","90","","1181.87","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Cd N5 O3 -","- C10 H9 Cd N5 O3 -","- C40 H36 Cd4 N20 O12 -","4","1","","Zhi-Rong Qu; Hong Zhao; Xi-Sen Wang; Yong-Hua Li; Yu-Mei Song; Yu-juan Liu; Qiong Ye; Ren-Gen Xiong; Brendan F. Abrahams; Zi-Ling Xue; Xiao-Zeng You","Homochiral Zn and Cd Coordination Polymers Containing Amino Acid-Tetrazole Ligands","Inorganic Chemistry","2003","42","","7710","7712","10.1021/ic034685q","","","0.71073","MoKα","","0.0317","0.0306","","","0.0886","0.0895","","","","","","0.761","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4312618","11.6109","0.0018","23.191","0.004","32.917","0.005","90","","90","","90","","8864","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C83 H77 Cu3 I3 N P6 S -","- C83 H77 Cu3 I3 N P6 S -","- C332 H308 Cu12 I12 N4 P24 S4 -","4","1","","Tarlok S. Lobana; Ritu Sharma; Elena Bermejo; Alfonso Castineiras","Construction of a Novel Copper(I) Chain Polymer of Hexanuclear Cu6(2-SC5H4NH)6I6 Cores with A New (μ3-S) Mode of Bonding of Pyridine-2-thione and of an Unusual Triangular Cu3I3(dppe)3(2-SC5H4NH) Cluster","Inorganic Chemistry","2003","42","","7728","7730","10.1021/ic034770y","","","0.71073","MoKα","","0.1814","0.0724","","","0.1635","0.2126","","","","","","0.822","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4312650","9.8042","0.0013","12.3697","0.0017","13.267","0.002","90","","90","","90","","1609","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2","","","- C16 H15 Au Cl N2 P -","- C16 H15 Au Cl N2 P -","- C64 H60 Au4 Cl4 N8 P4 -","4","1","","Vincent J. Catalano; Stephen J. Horner","Luminescent Gold(I) and Silver(I) Complexes of 2-(Diphenylphosphino)-1-methylimidazole (dpim): Characterization of a Three-Coordinate Au(I)-Ag(I) Dimer with a Short Metal-Metal Separation","Inorganic Chemistry","2003","42","","8430","8438","10.1021/ic030200m","","","0.71073","MoKα","","0.0711","0.0575","","","0.1353","0.1439","","","","","","1.04","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4312761","12.969","0.005","15.359","0.004","25.553","0.008","90","","90","","90","","5090","3","288","2","288","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25.5 H54 Cl3 N10 Nd2 O26 -","- C25.5 H52 Cl1.5 N10 Nd2 O26 -","- C102 H208 Cl6 N40 Nd8 O104 -","4","1","","Xiaofeng Li; Weisheng Liu; Zhijun Guo; Minyu Tan","Trinuclear to Dinuclear: A Radii Dependence Lanthanide(III) Self-Assembly Coordination Behavior of an Amide-Type Tripodal Ligand","Inorganic Chemistry","2003","42","","8735","8738","10.1021/ic034268d","","","0.71073","MoKα","","0.064","0.0432","","","0.0979","0.1042","","","","","","0.892","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4312770","12.929","0.009","18.67","0.01","5.497","0.004","90","","90","","90","","1326.9","1.5","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 N4 Pt S2 -","- C12 H8 N4 Pt S2 -","- C48 H32 N16 Pt4 S8 -","4","1","","Shinobu Kishi; Masako Kato","Thermal and Photo Control of the Linkage Isomerism of Bis(thiocyanato)(2,2'-bipyridine)platinum(II)","Inorganic Chemistry","2003","42","","8728","8734","10.1021/ic034524m","","","0.7107","MoKα","","","0.061","","","","0.1487","","","","","","1.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312783","8.8424","0.0005","15.5308","0.0009","16.6883","0.001","90","","90","","90","","2291.8","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[H2B(3,5-(CF3)2Pz)2]Cu(collidine)","","","- C18 H15 B Cu F12 N5 -","- C18 H15 B Cu F12 N5 -","- C72 H60 B4 Cu4 F48 N20 -","4","1","","Mohammad A. Omary; Manal A. Rawashdeh-Omary; Himashinie V. K. Diyabalanage; H. V. Rasika Dias","Blue Phosphors of Dinuclear and Mononuclear Copper(I) and Silver(I) Complexes of 3,5-Bis(trifluoromethyl)pyrazolate and the Related Bis(pyrazolyl)borate","Inorganic Chemistry","2003","42","","8612","8614","10.1021/ic0347586","","","0.71073","MoKα","","0.0241","0.0235","","","0.06","0.0604","","","","","","1.032","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4312794","11.7315","0.0002","12.099","0.0002","18.0211","0.0002","90","","90","","90","","2557.9","0.07","90","1","90","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Cu(I)(dmp)2]BF4","bis-(2,9-dimethyl-1,10-phenanthroline)copper(I) tetrafluoroborate","","- C28 H24 B Cu F4 N4 -","- C28 H24 B Cu F4 N4 -","- C112 H96 B4 Cu4 F16 N16 -","4","1","","Andrey Yu. Kovalevsky; Milan Gembicky; Irina V. Novozhilova; Philip Coppens","Solid-State Structure Dependence of the Molecular Distortion and Spectroscopic Properties of the Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Ion","Inorganic Chemistry","2003","42","","8794","8802","10.1021/ic0348805","","","0.71073","MoKα","","0.0328","0.0269","","","0.0666","0.0701","","","","","","1.111","","","","has coordinates","179166","2020-10-21","18:00:00",""
"4312835","10.4974","0.0014","14.713","0.002","23.296","0.003","90","","90","","90","","3598","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 B F6 N8 P Ru -","- C33 H46 B F6 N8 P Ru -","- C132 H184 B4 F24 N32 P4 Ru4 -","4","1","","Philip J. Bailey; Pedro Pinho; Simon Parsons","A Chiral Alkyltris(pyrazolyl)borate Ligand: Synthesis of [(Ipc)B(pz)3Mn(CO)3] and [(Ipc)B(pz)3Ru(p-cymene)]PF6 (Ipc = Isopinocampheyl)","Inorganic Chemistry","2003","42","","8872","8877","10.1021/ic035061n","","","0.71073","MoKα","","0.0439","0.0408","","","0.0959","0.0975","","","","","","1.102","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4312902","10.685","0.001","11.821","0.001","36.625","0.004","90","","90","","90","","4626","0.8","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Ag3 F9 N25 O9 S3 -","- C25 H27 Ag3 F9 N25 O9 S3 -","- C100 H108 Ag12 F36 N100 O36 S12 -","4","1","","Effendy; Fabio Marchetti; Claudio Pettinari; Riccardo Pettinari; Brian W. Skelton; Allan H. White","Synthesis and Spectroscopic Characterization of Silver(I) Complexes with the Bis(1,2,4-triazol-1-yl)alkane Ligand tz2(CH2). X-ray Structures of Two- and Three-Dimensional Coordination Polymers","Inorganic Chemistry","2003","42","","112","117","10.1021/ic025981q","","","0.71073","MoKα","","0.085","0.05","","0.058","","0.051","","","1.398","","","1.49","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4312987","9.7799","0.0006","17.6968","0.001","18.076","0.001","90","","90","","90","","3128.5","0.3","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","mono phe-tridentate ligand","","","- C41 H33 N3 O -","- C41 H33 N3 O -","- C164 H132 N12 O4 -","4","1","","Robin Polt; Brian D. Kelly; Brian D. Dangel; Udaya Bhaskar Tadikonda; Regina E. Ross; Arnold M. Raitsimring; Andrei V. Astashkin","Optically Active 4- and 5-Coordinate Transition Metal Complexes of Bifurcated Dipeptide Schiff Bases","Inorganic Chemistry","2003","42","","566","574","10.1021/ic025996o","","","0.71073","MoKα","","0.1171","0.0432","","","0.0728","0.092","","","","","","0.881","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4312988","9.3318","0.0007","15.6129","0.0012","23.324","0.0018","90","","90","","90","","3398.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H34 N4 Ni O2 -","- C43 H34 N4 Ni O2 -","- C172 H136 N16 Ni4 O8 -","4","1","","Robin Polt; Brian D. Kelly; Brian D. Dangel; Udaya Bhaskar Tadikonda; Regina E. Ross; Arnold M. Raitsimring; Andrei V. Astashkin","Optically Active 4- and 5-Coordinate Transition Metal Complexes of Bifurcated Dipeptide Schiff Bases","Inorganic Chemistry","2003","42","","566","574","10.1021/ic025996o","","","0.71073","MoKα","","0.1002","0.0457","","","0.0654","0.0758","","","","","","0.808","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4312989","17.259","0.004","14.29","0.003","34.939","0.007","90","","90","","90","","8617","3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H88 N8 Ni2 O6 -","- C104 H88 N8 Ni2 O6 -","- C416 H352 N32 Ni8 O24 -","4","1","","Robin Polt; Brian D. Kelly; Brian D. Dangel; Udaya Bhaskar Tadikonda; Regina E. Ross; Arnold M. Raitsimring; Andrei V. Astashkin","Optically Active 4- and 5-Coordinate Transition Metal Complexes of Bifurcated Dipeptide Schiff Bases","Inorganic Chemistry","2003","42","","566","574","10.1021/ic025996o","","","0.71073","MoKα","","0.1422","0.0688","","","0.0933","0.1115","","","","","","0.994","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4312991","12.4041","0.0008","13.5171","0.0009","26.1586","0.0017","90","","90","","90","","4385.9","0.5","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H48 N4 Ni O6 -","- C54 H48 N4 Ni O6 -","- C216 H192 N16 Ni4 O24 -","4","1","","Robin Polt; Brian D. Kelly; Brian D. Dangel; Udaya Bhaskar Tadikonda; Regina E. Ross; Arnold M. Raitsimring; Andrei V. Astashkin","Optically Active 4- and 5-Coordinate Transition Metal Complexes of Bifurcated Dipeptide Schiff Bases","Inorganic Chemistry","2003","42","","566","574","10.1021/ic025996o","","","0.71073","MoKα","","0.0622","0.0351","","","0.0675","0.0746","","","","","","0.881","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4313047","12.727","0.002","12.97","0.002","16.683","0.002","90","","90","","90","","2753.8","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ni(PAMBOH~3~)(NO~3~)~2~","Nickel(II) (N,N-bis(1-propan-2-onyl oxime)-L-phenylalanine N'-methylamide) nitrate ethyl acetate solvate","","- C18 H28 N6 Ni O10 -","- C18 H28 N6 Ni O10 -","- C72 H112 N24 Ni4 O40 -","4","1","","Michael J. Goldcamp; Sara E. Edison; Leah N. Squires; Dell T. Rosa; Neil K. Vowels; Nathan L. Coker; Jeanette A. Krause Bauer; Michael J. Baldwin","Structural and Spectroscopic Studies of Nickel(II) Complexes with a Library of Bis(oxime)amine-Containing Ligands","Inorganic Chemistry","2003","42","","717","728","10.1021/ic025860q","","","0.71073","MoKα","","0.1559","0.0637","","","0.1479","0.2048","","","","","","0.993","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313048","8.0043","0.0002","14.7734","0.0003","14.9036","0.0003","90","","90","","90","","1762.36","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Ni(PYRABOH~2~)Cl~2~","Nickel(II) (N-methyl-2-pyridyl-N,N-bis(1-propan-2-onyl oxime)amine) chloride dihydrate","","- C12 H22 Cl2 N4 Ni O4 -","- C12 H22 Cl2 N4 Ni O4 -","- C48 H88 Cl8 N16 Ni4 O16 -","4","1","","Michael J. Goldcamp; Sara E. Edison; Leah N. Squires; Dell T. Rosa; Neil K. Vowels; Nathan L. Coker; Jeanette A. Krause Bauer; Michael J. Baldwin","Structural and Spectroscopic Studies of Nickel(II) Complexes with a Library of Bis(oxime)amine-Containing Ligands","Inorganic Chemistry","2003","42","","717","728","10.1021/ic025860q","","","0.71073","MoKα","","0.0362","0.0337","","","0.0691","0.0699","","","","","","1.101","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313055","10.741","0.002","13.818","0.003","25.741","0.005","90","","90","","90","","3820.5","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H47 Mn N3 O9 -","- C40 H46 Mn N3 O9 -","- C160 H184 Mn4 N12 O36 -","4","1","","Yong Cui; Helen L. Ngo; Peter S. White; Wenbin Lin","Hierarchical Assembly of Homochiral Porous Solids Using Coordination and Hydrogen Bonds","Inorganic Chemistry","2003","42","","652","654","10.1021/ic025932d","","","0.71073","MoKα","","0.1308","0.0652","","","0.1506","0.1901","","","","","","1.038","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313056","9.937","0.002","14.482","0.003","26.758","0.005","90","","90","","90","","3850.7","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H45 Co N3 O9 -","- C39 H38 Co N3 O9 -","- C156 H152 Co4 N12 O36 -","4","1","","Yong Cui; Helen L. Ngo; Peter S. White; Wenbin Lin","Hierarchical Assembly of Homochiral Porous Solids Using Coordination and Hydrogen Bonds","Inorganic Chemistry","2003","42","","652","654","10.1021/ic025932d","","","0.71073","MoKα","","0.2068","0.0907","","","0.2057","0.2563","","","","","","1.093","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313069","9.9423","0.0013","13.81","0.0016","30.703","0.004","90","","90","","90","","4215.6","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cs2Cu7(P2O7)4*6CsCl","","- Cl6 Cs8 Cu7 O28 P8 -","- Cl6 Cs8 Cu7 O28 P8 -","- Cl24 Cs32 Cu28 O112 P32 -","4","1","","Qun Huang; Shiou-Jyh Hwu","The Fascinating Noncentrosymmetric Copper(II) Phosphates Synthesized via CsCl Salt-Inclusion","Inorganic Chemistry","2003","42","","655","657","10.1021/ic026060i","","","0.71073","MoKα","","0.0665","0.0599","","","0.0991","0.1022","","","","","","1.145","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313093","9.7196","0.001","18.642","0.0019","20.499","0.002","90","","90","","90","","3714.3","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H38 Cl N3 O10 P2 Pd -","- C33 H38 Cl N3 O10 P2 Pd -","- C132 H152 Cl4 N12 O40 P8 Pd4 -","4","1","","Judith Bravo; Carlos Cativiela; Julio E. Chaves; Rafael Navarro; Esteban P. Urriolabeitia","31P NMR Spectroscopy as a Powerful Tool for the Determination of Enantiomeric Excess and Absolute Configurations of α-Amino Acids","Inorganic Chemistry","2003","42","","1006","1013","10.1021/ic0204878","","","0.71073","MoKα","","0.0682","0.0491","","","0.0754","0.0797","","","","","","0.896","","","","has coordinates","179183","2020-10-21","18:00:00",""
"4313170","10.6742","0.0001","16.6059","0.0001","27.3209","0.0002","90","","90","","90","","4842.76","0.06","150","","150","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H39 Cl9 N3 P2 Re -","- C46 H39 Cl9 N3 P2 Re -","- C184 H156 Cl36 N12 P8 Re4 -","4","1","","Andrew R. Cowley; Jonathan R. Dilworth; Paul S. Donnelly","A Mono-Diazenide Complex from Perrhenate: Toward a New Core for Rhenium Radiopharmaceuticals","Inorganic Chemistry","2003","42","","929","931","10.1021/ic025995w","","","0.71073","MoKα","","","0.0261","","","","0.0259","","","","","","1.0409","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313184","10.826","0.003","23.633","0.004","8.41","0.003","90","","90","","90","","2151.7","1","238","","238","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 F3 N2 O3 P S -","- C20 H20 F3 N2 O3 P S -","- C80 H80 F12 N8 O12 P4 S4 -","4","1","","Neil Burford; Pierre Losier; Andrew D. Phillips; Paul J. Ragogna; T. Stanley Cameron","Nitrogen Ligands on Phosphorus(III) Lewis Acceptors: A Versatile New Synthetic Approach to Unusual N-P Structural Arrangements","Inorganic Chemistry","2003","42","","1087","1091","10.1021/ic026090l","","","0.7107","MoKα","","0.0679","0.068","","0.07","","0.07","","","1.948","","","1.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4313267","11.015","0.002","12.6134","0.0014","13.7652","0.0009","90","","90","","90","","1912.5","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Mn N9 O2 S -","- C14 H14 Mn N9 O2 S -","- C56 H56 Mn4 N36 O8 S4 -","4","1","","Hsin-Huang Lin; Sasankasekhar Mohanta; Chin-Jhan Lee; Ho-Hsiang Wei","Syntheses, Crystal Engineering, and Magnetic Property of a Dicyanamide Bridged Three-Dimensional Manganese(II)-Nitronyl Nitroxide Coordination Polymer Derived from a New Radical","Inorganic Chemistry","2003","42","","1584","1589","10.1021/ic025768u","","","0.71073","MoKα","","0.0486","0.0386","","0.1046","0.0962","","","","1.064","1.062","1.062","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4313344","4.8037","0.0003","10.2063","0.0007","10.7402","0.0001","90","","90","","90","","526.57","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","FJ-9","","","- B Ge2 K O6 -","- B1.33333 Ge2.66667 K1.33333 O8 -","- B4 Ge8 K4 O24 -","3","0.75","","Zhi-En Lin; Jie Zhang; Guo-Yu Yang","Synthesis and Structure of KBGe2O6: The First Chiral Zeotype Borogermanate with 7-Ring Channels","Inorganic Chemistry","2003","42","","1797","1799","10.1021/ic020511h","","","0.71073","MoKα","","0.0865","0.0642","","","0.1429","0.1646","","","","","","1.102","","","","has coordinates","179191","2020-10-21","18:00:00",""
"4313429","4.183","0.0006","10.8138","0.0008","17.961","0.004","90","","90","","90","","812.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Catena[CuI(-2-Iodopyrazine-N)] (yellow modification)","","- C4 H3 Cu I2 N2 -","- C4 H3 Cu I2 N2 -","- C16 H12 Cu4 I8 N8 -","4","1","","Christian Näther; Mario Wriedt; Inke Jess","Dimorphism of a New CuI Coordination Polymer: Synthesis, Crystal Structures and Properties of Catena[CuI(2-Iodopyrazine-N)] and Poly[CuI(μ2-2-Iodopyrazine-N,N')]","Inorganic Chemistry","2003","42","","2391","2397","10.1021/ic026007u","","","0.71073","MoKα","","0.0258","0.0214","","","0.0463","0.0477","","","","","","1.068","","","","has coordinates","179193","2020-10-21","18:00:00",""
"4313521","8.892","0.0001","11.0774","0.0002","22.7956","0.0003","90","","90","","90","","2245.37","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","trans-[Z-PtCl4{NHC(Et)NHCH(CH2CH2CH3)CH2OH}2]","","","- C14 H32 Cl4 N4 O2 Pt -","- C14 H32 Cl4 N4 O2 Pt -","- C56 H128 Cl16 N16 O8 Pt4 -","4","1","","Anastassiya V. Makarycheva-Mikhailova; Vadim Yu. Kukushkin; Alexey A. Nazarov; Dmitrii A. Garnovskii; Armando J. L. Pombeiro; Matti Haukka; Bernhard K. Keppler; Markus Galanski","Amidines Derived from Pt(IV)-Mediated Nitrile-Amino Alcohol Coupling and Their Zn(II)-Catalyzed Conversion into Oxazolines","Inorganic Chemistry","2003","42","","2805","2813","10.1021/ic034070t","","","0.71073","MoKα","","0.0188","0.0175","","","0.0406","0.041","","","","","","1.065","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4313523","13.957","0.009","17.14","0.01","7.768","0.006","90","","90","","90","","1858","2","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N4 O6 Tc -","- C15 H20 Cl N4 O6 Tc -","- C60 H80 Cl4 N16 O24 Tc4 -","4","1","","Laszlo Kurti; Dioni Papagiannopoulou; Minas Papadopoulos; Ioannis Pirmettis; Catherine P. Raptopoulou; Aris Terzis; Efstratios Chiotellis; Michael Harmata; Robert R. Kuntz; Raghoottama S. Pandurangi","Synthesis and Characterization of Novel 99gTc(V) and Re(V) Complexes with Water-Soluble Tetraaza Diamido Dipyridino Ligands: Single-Crystal X-ray Structural Investigations of Mono- and Dinuclear Complexes","Inorganic Chemistry","2003","42","","2960","2967","10.1021/ic020434q","","","0.71073","MoKα","","0.0335","0.0304","","","0.0774","0.0799","","","","","","1.032","","","","has coordinates","179196","2020-10-21","18:00:00",""
"4313581","9.599","0.003","9.6994","0.0016","19.07","0.006","90","","90","","90","","1775.5","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H20 B12 Br2 S2 -","- C4 H20 B12 Br2 S2 -","- C16 H80 B48 Br8 S8 -","4","1","","Roman G. Kultyshev; Shengming Liu; Hoitung T. Leung; Jianping Liu; Sheldon G. Shore","Synthesis of Mono- and Dihalogenated Derivatives of (Me2S)2B12H10 and Palladium-Catalyzed Boron-Carbon Cross-Coupling Reactions of the Iodides with Grignard Reagents","Inorganic Chemistry","2003","42","","3199","3207","10.1021/ic020600u","","","0.71073","MoKα","","0.1006","0.0629","","","0.148","0.1654","","","","","","1.063","","","","has coordinates","179196","2020-10-21","18:00:00",""
"4313588","12.5998","0.0004","19.5165","0.0008","23.3203","0.0011","90","","90","","90","","5734.6","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H57 Br Fe N3 P2 S3 -","- C66 H56 Br2 Fe N3 P2 S3 -","- C264 H224 Br8 Fe4 N12 P8 S12 -","4","1","","Prasanta Ghosh; Ameerunisha Begum; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structures of Iron(II)/(III) Complexes Containing N,S-Coordinated, Closed-Shello-Aminothiophenolato(1-) and o-Iminothiophenolato(2-) Ligands","Inorganic Chemistry","2003","42","","3208","3215","10.1021/ic020617c","","","0.71073","MoKα","","0.0757","0.06","","0.1577","0.1465","","","","1.037","1.056","1.056","","","","","has coordinates","179196","2020-10-21","18:00:00",""
"4313606","7.2495","0.0004","12.0763","0.0007","19.2196","0.0013","90","","90","","90","","1682.62","0.18","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[Ag(4)]ClO4","","- C15 H12 Ag Cl N6 O4 -","- C15 H12 Ag Cl N6 O4 -","- C60 H48 Ag4 Cl4 N24 O16 -","4","1","","Jian Fan; Wei-Yin Sun; Taka-aki Okamura; Wen-Xia Tang; Norikazu Ueyama","Novel Metal-Organic Frameworks with Specific Topology from New Tripodal Ligands: 1,3,5-Tris(1-imidazolyl)benzene and 1,3-Bis(1-imidazolyl)-5-(imidazol-1-ylmethyl)benzene","Inorganic Chemistry","2003","42","","3168","3175","10.1021/ic0206847","","","0.71069","MoKα","","0.0434","0.0394","","","0.0999","0.1007","","","","","","1.08","","","","has coordinates","179198","2020-10-21","18:00:00",""
"4313645","11.5788","0.0007","15.6471","0.0009","16.0232","0.0009","90","","90","","90","","2903","0.3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 N2 O4 P Pd -","- C29 H39 N2 O4 P Pd -","- C116 H156 N8 O16 P4 Pd4 -","4","1","","Yongxin Li; S. Selvaratnam; Jagadese J. Vittal; Pak-Hing Leung","A Rational Approach to the Design and Synthesis of Chiral Organopalladium-Amine Complexes","Inorganic Chemistry","2003","42","","3229","3236","10.1021/ic030018l","","","0.71073","MoKα","","0.0595","0.046","","","0.0471","0.0485","","","","","","1.064","","","","has coordinates","179198","2020-10-21","18:00:00",""
"4313647","8.074","0.0015","8.6042","0.0016","24.7412","0.0045","90","","90","","90","","1718.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O2 Pd -","- C17 H26 N2 O2 Pd -","- C68 H104 N8 O8 Pd4 -","4","1","","Yongxin Li; S. Selvaratnam; Jagadese J. Vittal; Pak-Hing Leung","A Rational Approach to the Design and Synthesis of Chiral Organopalladium-Amine Complexes","Inorganic Chemistry","2003","42","","3229","3236","10.1021/ic030018l","","","0.71073","MoKα","","0.0254","0.0232","","","0.0542","0.0548","","","","","","1.015","","","","has coordinates","179198","2020-10-21","18:00:00",""
"4313649","8.8274","0.0001","12.5733","0.0002","21.7013","0.0002","90","","90","","90","","2408.62","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Cl N P Pd -","- C24 H31 Cl N P Pd -","- C96 H124 Cl4 N4 P4 Pd4 -","4","1","","Yongxin Li; S. Selvaratnam; Jagadese J. Vittal; Pak-Hing Leung","A Rational Approach to the Design and Synthesis of Chiral Organopalladium-Amine Complexes","Inorganic Chemistry","2003","42","","3229","3236","10.1021/ic030018l","","","0.71073","MoKα","","0.025","0.0219","","0.0572","0.0556","","","","1.07","1.073","1.073","","","","","has coordinates","179198","2020-10-21","18:00:00",""
"4313703","11.4697","0.0001","16.2521","0.0001","28.0955","0.0001","90","","90","","90","","5237.19","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H43 Cl3 Cu3 N12 O20 -","- C36 H39 Cl3 Cu3 N12 O20 -","- C144 H156 Cl12 Cu12 N48 O80 -","4","1","","Jagadese J. Vittal; Xiaobai Wang; John D. Ranford","Influence of the Li+ on the Structure of the [Cu3(phis)3]3+ Cation","Inorganic Chemistry","2003","42","","3390","3392","10.1021/ic026311n","","","0.71073","MoKα","","0.1335","0.106","","","0.2755","0.2985","","","","","","1.226","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313704","12.062","0.0006","12.8198","0.0007","34.3128","0.0018","90","","90","","90","","5305.9","0.5","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 Cl4 Cu3 Li N12 O25 -","- C36 H39 Cl4 Cu3 Li N12 O25 -","- C144 H156 Cl16 Cu12 Li4 N48 O100 -","4","1","","Jagadese J. Vittal; Xiaobai Wang; John D. Ranford","Influence of the Li+ on the Structure of the [Cu3(phis)3]3+ Cation","Inorganic Chemistry","2003","42","","3390","3392","10.1021/ic026311n","","","0.71073","MoKα","","0.0707","0.0562","","","0.1413","0.1518","","","","","","1.008","","","","has coordinates,has disorder","179202","2020-10-21","18:00:00",""
"4313705","9.2741","0.0003","11.697","0.0003","17.8322","0.0004","90","","90","","90","","1934.42","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cl2 Cu N4 O11 -","- C12 H16 Cl2 Cu N4 O11 -","- C48 H64 Cl8 Cu4 N16 O44 -","4","1","","Jagadese J. Vittal; Xiaobai Wang; John D. Ranford","Influence of the Li+ on the Structure of the [Cu3(phis)3]3+ Cation","Inorganic Chemistry","2003","42","","3390","3392","10.1021/ic026311n","","","0.71073","MoKα","","0.0657","0.0477","","","0.1023","0.1107","","","","","","1.024","","","","has coordinates","179202","2020-10-21","18:00:00",""
"4313833","13.267","0.002","16.472","0.002","17.285","0.004","90","","90","","90","","3777.4","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Cl N6 Si3 U -","- C34 H45 Cl N6 O Si3 U -","- C136 H180 Cl4 N24 O4 Si12 U4 -","4","1","","Bernardo Monteiro; Dmitrii Roitershtein; Humberto Ferreira; José R. Ascenso; Ana M. Martins; Ângela Domingos; Noémia Marques","Triamidotriazacyclononane Complexes of Group 3 Metals. Synthesis and Crystal Structures","Inorganic Chemistry","2003","42","","4223","4231","10.1021/ic034090v","","","0.71073","MoKα","","0.117","0.0671","","","0.1184","0.1374","","","","","","1.063","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313865","10.1211","0.0015","20.06","0.003","22.383","0.003","90","","90","","90","","4544.4","1.1","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dilithio-tris(bis(tert-butylamido)phenylborane)-zirconium","","- C42 H69 B3 Li2 N6 Zr -","- C42 H69 B3 Li2 N6 Zr -","- C168 H276 B12 Li8 N24 Zr4 -","4","1","","David R. Manke; Daniel G. Nocera","Bis(alkylamido)phenylborane Complexes of Zirconium, Hafnium, and Vanadium","Inorganic Chemistry","2003","42","","4431","4436","10.1021/ic0340478","","","0.71073","MoKα","","0.0499","0.043","","","0.0924","0.0971","","","","","","1.031","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313866","10.1198","0.0006","19.8226","0.0012","22.2641","0.0013","90","","90","","90","","4466.2","0.5","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dilithio-tris(bis(tert-butylamido)phenylborane)-hafnium","","- C42 H69 B3 Hf Li2 N6 -","- C42 H69 B3 Hf Li2 N6 -","- C168 H276 B12 Hf4 Li8 N24 -","4","1","","David R. Manke; Daniel G. Nocera","Bis(alkylamido)phenylborane Complexes of Zirconium, Hafnium, and Vanadium","Inorganic Chemistry","2003","42","","4431","4436","10.1021/ic0340478","","","0.71073","MoKα","","0.0686","0.0488","","","0.0682","0.0719","","","","","","0.992","","","","has coordinates","179204","2020-10-21","18:00:00",""
"4313998","11.7908","0.0002","20.4453","0.0002","39.9423","0.0003","90","","90","","90","","9628.7","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H52 F8 Fe N4 O5 -","- C49 H28 F8 Fe N4 O2 -","- C392 H224 F64 Fe8 N32 O16 -","8","2","","David W. Thompson; Ryan M. Kretzer; Estelle L. Lebeau; Donald V. Scaltrito; Reza A. Ghiladi; Kin-Chung Lam; Arnold L. Rheingold; Kenneth D. Karlin; Gerald J. Meyer","Synthesis, Characterization, and Laser Flash Photolysis Reactivity of a Carbonmonoxy Heme Complex","Inorganic Chemistry","2003","42","","5211","5218","10.1021/ic026307b","","","0.71073","MoKα","","0.1177","0.0898","","","0.2356","0.255","","","","","","1.457","","","","has coordinates","179207","2020-10-21","18:00:00",""
"4314047","16.348","0.008","17.5","0.008","17.999","0.009","90","","90","","90","","5149","4","168","2","168","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","K4(OIP)4(Py)3","","","- C51 H59 K4 N3 O4 -","- C51 H59 K4 N3 O4 -","- C204 H236 K16 N12 O16 -","4","1","","Timothy J. Boyle; Nicholas L. Andrews; Mark A. Rodriguez; Charles Campana; Timothy Yiu","Structural Variations of Potassium Aryloxides","Inorganic Chemistry","2003","42","","5357","5366","10.1021/ic034222k","","","0.71073","MoKα","","0.0801","0.0487","","","0.0846","0.0945","","","","","","1.021","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314053","6.8444","0.0018","12.333","0.003","16.208","0.004","90","","90","","90","","1368.1","0.6","168","2","168","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[K(DBP)]infinite","","","- C14 H21 K O -","- C14 H21 K O -","- C56 H84 K4 O4 -","4","1","","Timothy J. Boyle; Nicholas L. Andrews; Mark A. Rodriguez; Charles Campana; Timothy Yiu","Structural Variations of Potassium Aryloxides","Inorganic Chemistry","2003","42","","5357","5366","10.1021/ic034222k","","","0.71073","MoKα","","0.0814","0.0576","","","0.0809","0.0868","","","","","","1.077","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314058","8.4564","0.0006","21.368","0.002","30.747","0.002","90","","90","","90","","5555.9","0.7","293","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 Bi2 I9 N3 S9 -","- C30 H36 Bi2 I9 N3 S9 -","- C120 H144 Bi8 I36 N12 S36 -","4","1","","Xu-Hui Zhu; Nicolas Mercier; Pierre Frère; Philippe Blanchard; Jean Roncali; Magali Allain; Claude Pasquier; Amédée Riou","Effect of Mono- versus Di-ammonium Cation of 2,2'-Bithiophene Derivatives on the Structure of Organic-Inorganic Hybrid Materials Based on Iodo Metallates","Inorganic Chemistry","2003","42","","5330","5339","10.1021/ic034235y","","x-ray","0.71073","MoKα","","0.0531","0.0447","","","0.1143","0.1184","","","","","","0.962","","","","has coordinates","179209","2020-10-21","18:00:00",""
"4314075","9.4852","0.0008","11.6854","0.001","32.866","0.003","90","","90","","90","","3642.8","0.5","96","2","96","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H59 B Cl Fe P3 -","- C33 H59 B Cl Fe P3 -","- C132 H236 B4 Cl4 Fe4 P12 -","4","1","","Theodore A. Betley; Jonas C. Peters","The Strong-Field Tripodal Phosphine Donor, [PhB(CH2PiPr2)3]-, Provides Access to Electronically and Coordinatively Unsaturated Transition Metal Complexes","Inorganic Chemistry","2003","42","","5074","5084","10.1021/ic0343096","","","0.71073","MoKα","","0.0731","0.0492","","","0.0844","0.0901","","","","","","1.261","","","","has coordinates,has disorder","179209","2020-10-21","18:00:00",""
"4314110","20.9192","0.0003","27.4692","0.0002","7.2465","0.0001","90","","90","","90","","4164.08","0.09","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 Cl4 Cu3 K N6 O22 -","- C27 H33 Cl4 Cu3 K N6 O22 -","- C108 H132 Cl16 Cu12 K4 N24 O88 -","4","1","","Xiaobai Wang; Jagadese J. Vittal","Nature of the Reactants and Influence of Water on the Supramolecular Assembly","Inorganic Chemistry","2003","42","","5135","5142","10.1021/ic0344970","","","0.71073","MoKα","","0.0637","0.0542","","","0.1375","0.1453","","","","","","1.119","","","","has coordinates,has disorder","179211","2020-10-21","18:00:00",""
"4314113","8.85","0.0007","11.2033","0.0008","13.7538","0.0011","90","","90","","90","","1363.68","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 Cl Cu N2 O7 -","- C9 H13 Cl Cu N2 O7 -","- C36 H52 Cl4 Cu4 N8 O28 -","4","1","","Xiaobai Wang; Jagadese J. Vittal","Nature of the Reactants and Influence of Water on the Supramolecular Assembly","Inorganic Chemistry","2003","42","","5135","5142","10.1021/ic0344970","","","0.71073","MoKα","","0.0694","0.0475","","","0.0958","0.1012","","","","","","0.916","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314150","14.218","0.003","18.236","0.004","18.38","0.004","90","","90","","90","","4765.6","1.8","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cu F24 N12 Ni O2 P4 -","- C30 H44 Cu F24 N12 Ni O2 P4 -","- C120 H176 Cu4 F96 N48 Ni4 O8 P16 -","4","1","","Agnieszka Więckowska; Renata Bilewicz; Sławomir Domagała; Krzysztof Woźniak; Bohdan Korybut-Daszkiewicz; Alina Tomkiewicz; Jerzy Mroziński","Intermetallic Interactions in Face-to-Face Homo- and Heterodinuclear Bismacrocyclic Complexes of Copper(II) and Nickel(II)","Inorganic Chemistry","2003","42","","5513","5522","10.1021/ic034127b","","","0.71073","MoKα","","0.1851","0.0858","","","0.1474","0.2033","","","","","","0.9","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314151","14.216","0.003","18.233","0.004","18.363","0.004","90","","90","","90","","4759.7","1.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cu2 F24 N12 O2 P4 -","- C30 H44 Cu2 F24 N12 O2 P4 -","- C120 H176 Cu8 F96 N48 O8 P16 -","4","1","","Agnieszka Więckowska; Renata Bilewicz; Sławomir Domagała; Krzysztof Woźniak; Bohdan Korybut-Daszkiewicz; Alina Tomkiewicz; Jerzy Mroziński","Intermetallic Interactions in Face-to-Face Homo- and Heterodinuclear Bismacrocyclic Complexes of Copper(II) and Nickel(II)","Inorganic Chemistry","2003","42","","5513","5522","10.1021/ic034127b","","","0.71073","MoKα","","0.2224","0.1052","","","0.1583","0.2311","","","","","","0.868","","","","has coordinates","179211","2020-10-21","18:00:00",""
"4314184","9.379","0.0006","9.5923","0.0006","21.8575","0.0013","90","","90","","90","","1966.4","0.2","150","0.2","150","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N4 -","- C25 H24 N4 -","- C100 H96 N16 -","4","1","","Cheng-Yong Su; Andrea M. Goforth; Mark D. Smith; Hans-Conrad zur Loye","Formation of Dinuclear, Macrocyclic, and Chain Structures from HgI2 and a Semirigid Benzimidazole-Based Bridging Ligand: An Example of Ring-Opening Supramolecular Isomerism","Inorganic Chemistry","2003","42","","5685","5692","10.1021/ic034388l","","","0.71073","MoKα","","0.0478","0.039","","","0.0699","0.0721","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4314192","17.5274","0.0008","25.2009","0.0011","9.6227","0.0004","90","","90","","90","","4250.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Fe(TPP)(NO)(1-MeIm)].CHCl3","","","- C49 H35 Cl3 Fe N7 O -","- C49 H35 Cl3 Fe N7 O -","- C196 H140 Cl12 Fe4 N28 O4 -","4","1","","Graeme R. A. Wyllie; Charles E. Schulz; W. Robert Scheidt","Five- to Six-Coordination in (Nitrosyl)iron(II) Porphyrinates: Effects of Binding the Sixth Ligand","Inorganic Chemistry","2003","42","","5722","5734","10.1021/ic034473t","","","0.71073","MoKα","","0.0637","0.0518","","","0.1092","0.1155","","","","","","1.07","","","","has coordinates,has disorder","179211","2020-10-21","18:00:00",""
"4314193","17.6359","0.0007","25.2877","0.001","9.967","0.0004","90","","90","","90","","4445","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Fe(TPP)(NO)(4-MePip)].CHCl3","","","- C50 H40 Cl3 Fe N7 O -","- C50 H40 Cl3 Fe N7 O -","- C200 H160 Cl12 Fe4 N28 O4 -","4","1","","Graeme R. A. Wyllie; Charles E. Schulz; W. Robert Scheidt","Five- to Six-Coordination in (Nitrosyl)iron(II) Porphyrinates: Effects of Binding the Sixth Ligand","Inorganic Chemistry","2003","42","","5722","5734","10.1021/ic034473t","","","0.71073","MoKα","","0.0433","0.0411","","","0.1085","0.1105","","","","","","1.046","","","","has coordinates,has disorder","179211","2020-10-21","18:00:00",""
"4314200","9.9962","0.0011","17.432","0.002","20.285","0.002","90","","90","","90","","3534.7","0.7","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H45 Cl4 Cu2 N9 O17 -","- C19 H45 Cl4 Cu2 N9 O17 -","- C76 H180 Cl16 Cu8 N36 O68 -","4","1","","Arunendu Mondal; Eric L. Klein; Masood A. Khan; Robert P. Houser","TACN-Amino Acid Conjugates and Their Copper(II) Complexes","Inorganic Chemistry","2003","42","","5462","5464","10.1021/ic034598y","","","0.71073","MoKα","","0.0535","0.0505","","","0.1334","0.1353","","","","","","1.051","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314215","10.4988","0.0007","13.9676","0.001","15.1984","0.001","90","","90","","90","","2228.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cl2 N2 O2 Ru S2 -","- C22 H26 Cl2 N2 O2 Ru S2 -","- C88 H104 Cl8 N8 O8 Ru4 S8 -","4","1","","Chui-Ying Lai; Wing-Leung Mak; Eddie Y. Y. Chan; Yiu-Keung Sau; Qian-Feng Zhang; Samuel M. F. Lo; Ian D. Williams; Wa-Hung Leung","Ruthenium Complexes with Chiral Tetradentate Imino-Sulfoxide Ligands","Inorganic Chemistry","2003","42","","5863","5870","10.1021/ic030075e","","","0.71073","MoKα","","0.0361","0.0311","","","0.0637","0.0653","","","","","","1.035","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314232","13.6432","0.0006","7.42556","0.00028","10.3973","0.0004","90","","90","","90","","1053.33","0.07","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ge3 K2 O10 Zr -","- Ge3 K2 O10 Zr -","- Ge12 K8 O40 Zr4 -","4","1","","Jacques Plévert; Rebeca Sanchez-Smith; Travis M. Gentz; Hailian Li; Thomas L. Groy; Omar M. Yaghi; Michael O'Keeffe","Synthesis and Characterization of Zirconogermanates","Inorganic Chemistry","2003","42","","5954","5959","10.1021/ic034298g","","","","","","","","","","","","","","","","","","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314233","11.9513","0.0007","18.0311","0.0011","22.2178","0.0014","90","","90","","90","","4787.8","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H45 I3 N11 U -","- C42 H36 I3 N11 U -","- C168 H144 I12 N44 U4 -","4","1","","Lydia Karmazin; Marinella Mazzanti; Jacques Pécaut","Oxidation Chemistry of Uranium(III) Complexes of Tpa: Synthesis and Structural Studies of Oxo, Hydroxo, and Alkoxo Complexes of Uranium(IV)","Inorganic Chemistry","2003","42","","5900","5908","10.1021/ic0343004","","","0.71073","MoKα","","0.0434","0.0337","","","0.0746","0.078","","","","","","1.024","","","","has coordinates","179214","2020-10-21","18:00:00",""
"4314305","6.905","0.0005","14.6015","0.0009","23.5023","0.0015","90","","90","","90","","2369.6","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H10 Mn2 Mo2 O7 Se4 -","- C17 H10 Mn2 Mo2 O7 Se4 -","- C68 H40 Mn8 Mo8 O28 Se16 -","4","1","","Richard D. Adams; O-Sung Kwon","Syntheses and Reactivity of the Diselenido Molybdenum-Manganese Complex CpMoMn(CO)5(μ-Se2)","Inorganic Chemistry","2003","42","","6175","6182","10.1021/ic030077z","","","0.71073","MoKα","","0.0547","0.0452","","","0.1027","0.1074","","","","","","1.045","","","","has coordinates","179216","2020-10-21","18:00:00",""
"4314405","10.1657","0.0006","17.6477","0.001","18.5574","0.001","90","","90","","90","","3329.2","0.3","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H33 Cl O2 P2 Pt -","- C38 H33 Cl O2 P2 Pt -","- C152 H132 Cl4 O8 P8 Pt4 -","4","1","","Luca Rigamonti; Alessandra Forni; Mario Manassero; Carlo Manassero; Alessandro Pasini","Cooperation between Cis and Trans Influences in cis-PtII(PPh3)2 Complexes: Structural, Spectroscopic, and Computational Studies","Inorganic Chemistry","2010","49","","123","135","10.1021/ic901510m","","","0.71073","Mo-Kα","","0.028","0.028","","","0.043","","","","0.988","0.988","0.988","","","","","has coordinates","179218","2020-10-21","18:00:00",""
"4314406","10.4372","0.0007","18.6546","0.0012","34.9948","0.0022","90","","90","","90","","6813.6","0.8","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C160 H146 O17 P8 Pt4 -","- C160 H146 O17 P8 Pt4 -","- C320 H292 O34 P16 Pt8 -","2","0.5","","Luca Rigamonti; Alessandra Forni; Mario Manassero; Carlo Manassero; Alessandro Pasini","Cooperation between Cis and Trans Influences in cis-PtII(PPh3)2 Complexes: Structural, Spectroscopic, and Computational Studies","Inorganic Chemistry","2010","49","","123","135","10.1021/ic901510m","","","0.71073","Mo-Kα","","0.044","0.044","","","0.063","","","","1.007","1.007","1.007","","","","","has coordinates","179218","2020-10-21","18:00:00",""
"4314432","9.216","0.002","15.926","0.004","20.36","0.005","90","","90","","90","","2988.3","1.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 N4 O3 -","- C33 H42 N4 O3 -","- C132 H168 N16 O12 -","4","1","","Patrina Paraskevopoulou; Lin Ai; Qiuwen Wang; Devender Pinnapareddy; Rama Acharyya; Rupam Dinda; Purak Das; Remle Çelenligil-Çetin; Georgios Floros; Yiannis Sanakis; Amitava Choudhury; Nigam P. Rath; Pericles Stavropoulos","Synthesis and Characterization of a Series of Structurally and Electronically Diverse Fe(II) Complexes Featuring a Family of Triphenylamido-Amine Ligands","Inorganic Chemistry","2010","49","","108","122","10.1021/ic9015838","","","0.71073","MoKα","","0.0524","0.0446","","","0.1151","0.1221","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4314445","7.9136","0.0001","10.5933","0.0002","25.2332","0.0005","90","","90","","90","","2115.33","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 B F2 Fe -","- C26 H25 B F2 Fe -","- C104 H100 B4 F8 Fe4 -","4","1","","Alexander E. J. Broomsgrove; David A. Addy; Angela Di Paolo; Ian R. Morgan; Christopher Bresner; Victoria Chislett; Ian A. Fallis; Amber L. Thompson; Dragoslav Vidovic; Simon Aldridge","Evaluation of Electronics, Electrostatics and Hydrogen Bond Cooperativity in the Binding of Cyanide and Fluoride by Lewis Acidic Ferrocenylboranes","Inorganic Chemistry","2010","49","","157","173","10.1021/ic901673u","","","0.71073","MoKα","","0.0479","0.0349","","0.0808","0.076","0.0808","","","","","","0.9785","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314463","10.7804","0.0007","15.5317","0.0011","17.9557","0.0012","90","","90","","90","","3006.5","0.4","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H51 N4 Si U -","- C30 H51 N4 Si U -","- C120 H204 N16 Si4 U4 -","4","1","","William J. Evans; Elizabeth Montalvo; Joseph W. Ziller; Antonio G. DiPasquale; Arnold L. Rheingold","Uranium Metallocene Complexes of the 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidinato Ligand, (hpp)-","Inorganic Chemistry","2010","49","","222","228","10.1021/ic901790t","","","0.71073","MoKα","","0.0185","0.0174","","","0.042","0.0423","","","","","","1.07","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4314464","15.2203","0.0006","16.9397","0.0007","19.8735","0.0008","90","","90","","90","","5123.9","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H84 N6 Se U2 -","- C54 H84 N6 Se U2 -","- C216 H336 N24 Se4 U8 -","4","1","","William J. Evans; Elizabeth Montalvo; Joseph W. Ziller; Antonio G. DiPasquale; Arnold L. Rheingold","Uranium Metallocene Complexes of the 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidinato Ligand, (hpp)-","Inorganic Chemistry","2010","49","","222","228","10.1021/ic901790t","","","0.71073","MoKα","","0.0226","0.0199","","","0.0464","0.047","","","","","","1.016","","","","has coordinates","179218","2020-10-21","18:00:00",""
"4314500","10.5951","0.0002","18.1438","0.0004","24.2262","0.0005","90","","90","","90","","4657.13","0.17","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H81 In O5 P2 -","- C42 H81 In O5 P2 -","- C168 H324 In4 O20 P8 -","4","1","","Jean-Charles Buffet; Jun Okuda; Polly L. Arnold","Chiral Indium Alkoxide Complexes as Initiators for the Stereoselective Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2010","49","","419","426","10.1021/ic900740n","","","0.71073","MoKα","","0.0557","0.0501","","","0.1091","0.1128","","","","","","1.167","","","","has coordinates","179221","2020-10-21","18:00:00",""
"4314545","14.4386","0.0007","21.9512","0.0008","35.3158","0.0016","90","","90","","90","","11193.2","0.8","150","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C79 H132 Cl6 Eu2 N16 O45 -","- C79 H88 Cl6 Eu2 N16 O45 -","- C316 H352 Cl24 Eu8 N64 O180 -","4","1","","Badr El Aroussi; Nathalie Dupont; Gérald Bernardinelli; Josef Hamacek","Unsymmetrical Tripodal Ligand for Lanthanide Complexation: Structural, Thermodynamic, and Photophysical Studies","Inorganic Chemistry","2010","49","","606","615","10.1021/ic901757u","","","0.71073","MoKα","","","0.056","","","","0.055","","","","","","1.85","","","","has coordinates","179221","2020-10-21","18:00:00",""
"4314596","10.438","0.003","14.335","0.004","18.996","0.005","90","","90","","90","","2842.3","1.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichlorido(1,2-bis(diphenylphosphino)benzene)germanium(II)","","- C30 H24 Cl2 Ge P2 -","- C30 H24 Cl2 Ge P2 -","- C120 H96 Cl8 Ge4 P8 -","4","1","","Fei Cheng; Andrew L. Hector; William Levason; Gillian Reid; Michael Webster; Wenjian Zhang","Diphosphine and Diarsine Complexes of Germanium(II) Halides-Preparation, Spectroscopic, and Structural Studies","Inorganic Chemistry","2010","49","","752","760","10.1021/ic902068z","","","0.71073","MoKα","","0.1158","0.0523","","","0.0914","0.1092","","","","","","0.996","","","","has coordinates","179221","2020-10-21","18:00:00",""
"4314672","12.8806","0.0003","20.8835","0.0004","30.1708","0.0007","90","","90","","90","","8115.7","0.3","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C90 H116 B2 Fe N4 O P2 -","- C90 H116 B2 Fe N4 O P2 -","- C360 H464 B8 Fe4 N16 O4 P8 -","4","1","","Paraskevi O. Lagaditis; Alexandre A. Mikhailine; Alan J. Lough; Robert H. Morris","Template Synthesis of Iron(II) Complexes Containing Tridentate P-N-S, P-N-P, P-N-N, and Tetradentate P-N-N-P Ligands","Inorganic Chemistry","2010","49","","1094","1102","10.1021/ic901945c","","","0.71073","MoKα","","0.1181","0.0654","","","0.1468","0.1754","","","","","","1.021","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314673","13.3549","0.0019","24.72","0.004","25.529","0.003","90","","90","","90","","8428","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","bis(bis((8-benzyloxyquinolin-2-yl)methylene)-R,R-1,2-cyclohexanediamine) -di-copper(II) tetratriflate","","","- C84 H72 Cu2 F12 N8 O16 S4 -","- C84 H72 Cu2 F12 N8 O16 S4 -","- C336 H288 Cu8 F48 N32 O64 S16 -","4","1","","Valeria Amendola; Massimo Boiocchi; Valentina Brega; Luigi Fabbrizzi; Lorenzo Mosca","Octahedral Copper(II) and Tetrahedral Copper(I) Double-Strand Helicates: Chiral Self-Recognition and Redox Behavior","Inorganic Chemistry","2010","49","","997","1007","10.1021/ic9019684","","","0.71073","MoKα","","0.1127","0.0593","","","0.1196","0.1434","","","","","","1.015","","","","has coordinates","179224","2020-10-21","18:00:00",""
"4314757","13.785","0.005","16.968","0.006","19.525","0.007","90","","90","","90","","4567","3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 Cl8 Cu N2 -","- C42 H54 Cl8 Cu N2 -","- C168 H216 Cl32 Cu4 N8 -","4","1","","Eric E. Benson; Arnold L. Rheingold; Clifford P. Kubiak","Synthesis and Characterization of 6,6'-(2,4,6-Triisopropylphenyl)-2,2'-bipyridine (tripbipy) and Its Complexes of the Late First Row Transition Metals","Inorganic Chemistry","2010","49","","1458","1464","10.1021/ic9016382","","","0.71073","MoKα","","0.0345","0.0317","","","0.0732","0.0753","","","","","","0.955","","","","has coordinates","179227","2020-10-21","18:00:00",""
"4314812","15.733","0.003","16.348","0.003","19.759","0.004","90","","90","","90","","5082.1","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28.5 H69.25 Cl8 P8 W2 -","- C28.61 H69.22 Cl8 P8 W2 -","- C114.44 H276.88 Cl32 P32 W8 -","4","1","","Jibin Sun; Sarah E. Shaner; Marya K. Jones; Daniel C. O'Hanlon; Jeffrey S. Mugridge; Michael D. Hopkins","Synthesis, Structures, Bonding, and Redox Chemistry of Ditungsten Butadiyne Complexes with W\τbC-C\τbW Backbones","Inorganic Chemistry","2010","49","","1687","1698","10.1021/ic902088x","","","0.71073","MoKα","","0.0404","0.0376","","","0.0862","0.0878","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4314822","8.6523","0.00016","10.83956","0.00017","14.0402","0.0003","90","","90","","90","","1316.79","0.04","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(phd)ReO3Cl]","","","- C12 H6 Cl N2 O5 Re -","- C11.28 H5.64 Cl0.94 N1.88 O4.7 Re -","- C45.12 H22.56 Cl3.76 N7.52 O18.8 Re4 -","4","1","","Henrik Braband; Sebastian Imstepf; Michael Felber; Bernhard Spingler; Roger Alberto","Triazacyclohexane (tach) Complexes of High-Valent Rhenium: Syntheses of [(R3tach)ReO3]+ (R = -CH3, -CH2C6H5) and Its Substitution Reactions","Inorganic Chemistry","2010","49","","1283","1285","10.1021/ic902114p","","","0.71073","MoKα","","0.0247","0.0238","","","0.0595","0.0598","","","","","","1.105","","","","has coordinates,has disorder","179228","2020-10-21","18:00:00",""
"4314844","13.11504","0.00016","13.99608","0.00018","24.7953","0.0003","90","","90","","90","","4551.4","0.1","173","2","173","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C42.35 H44.6 Au Cl1.1 F6 N2 O0.45 P2 S2 -","- C42.35 H44.6 Au Cl1.1 F6 N2 O0.45 P2 S2 -","- C169.4 H178.4 Au4 Cl4.4 F24 N8 O1.8 P8 S8 -","4","1","","Saira Naeem; Lionel Delaude; Andrew J. P. White; James D. E. T. Wilton-Ely","The Use of Imidazolium-2-dithiocarboxylates in the Formation of Gold(I) Complexes and Gold Nanoparticles","Inorganic Chemistry","2010","49","4","1784","1793","10.1021/ic9021504","","","0.71073","MoKα","","0.0393","0.0271","","","0.0539","0.0551","","","","","","0.95","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4314848","18.5622","0.0005","15.5319","0.0005","18.0697","0.0006","90","","90","","90","","5209.6","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H66 N6 O3 Ru -","- C47 H66 N6 O3 Ru -","- C188 H264 N24 O12 Ru4 -","4","1","","Taichi Abe; Takayoshi Suzuki; Kazuteru Shinozaki","Luminescence Change by the Solvent of Crystallization, Solvent Reorganization, and Vapochromism of Neutral Dicyanoruthenium(II) Complex in the Solid State","Inorganic Chemistry","2010","49","","1794","1800","10.1021/ic9021596","","","0.71075","MoKα","","0.0509","0.0462","","","0.1167","0.119","","","","","","1.151","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4314880","7.1272","0.0012","17.269","0.003","18.462","0.003","90","","90","","90","","2272.3","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H11 Cl3 N2 S6 -","- C19 H11 Cl3 N2 S6 -","- C76 H44 Cl12 N8 S24 -","4","1","","Lawrence K. Keniley; Lipika Ray; Kirill Kovnir; Logan A. Dellinger; Jordan M. Hoyt; Michael Shatruk","TTF-Annulated Phenanthroline and Unexpected Oxidative Cleavage of the C=C Bond in Its Ruthenium(II) Complex","Inorganic Chemistry","2010","49","","1307","1309","10.1021/ic902230f","","","0.71073","MoKα","","0.1359","0.0509","","","0.0748","0.0975","","","","","","0.952","","","","has coordinates,has disorder","179228","2020-10-21","18:00:00",""
"4314889","12.5364","0.0007","17.3928","0.0008","29.3337","0.0014","90","","90","","90","","6396","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C289 H248 N20 O32 Sn4 -","- C289 H232 N20 O32 Sn4 -","- C289 H232 N20 O32 Sn4 -","1","0.25","","Aurélie Guenet; Ernest Graf; Nathalie Kyritsakas; Mir Wais Hosseini","Design and Synthesis of Sn-Porphyrin Based Molecular Gates","Inorganic Chemistry","2010","49","","1872","1883","10.1021/ic902265e","","","0.71073","MoKα","","0.0925","0.0553","","","0.1352","0.1494","","","","","","1.002","","","","has coordinates","179228","2020-10-21","18:00:00",""
"4314927","16.8994","0.0017","18.7407","0.0019","33.271","0.003","90","","90","","90","","10537.1","1.8","141","2","141","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C114 H142 N8 O Sm2 Th -","- C114 H142 N8 O Sm2 Th -","- C456 H568 N32 O4 Sm8 Th4 -","4","1","","Eric J. Schelter; Ruilian Wu; Jacqueline M. Veauthier; Eric D. Bauer; Corwin H. Booth; Robert K. Thomson; Christopher R. Graves; Kevin D. John; Brian L. Scott; Joe D. Thompson; David E. Morris; Jaqueline L. Kiplinger","Comparative Study of f-Element Electronic Structure across a Series of Multimetallic Actinide and Lanthanoid-Actinide Complexes Possessing Redox-Active Bridging Ligands","Inorganic Chemistry","2010","49","","1995","2007","10.1021/ic9024475","","","0.71073","MoKα","","0.1247","0.0671","","","0.1283","0.1556","","","","","","0.92","","","","has coordinates","179229","2020-10-21","18:00:00",""
"4314961","9.2782","0.0009","17.4312","0.0017","18.1017","0.0018","90","","90","","90","","2927.6","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H43 F3 O8 S Zr -","- C21 H43 F3 O8 S Zr -","- C84 H172 F12 O32 S4 Zr4 -","4","1","","Edmond Y. Njua; Alexander Steiner; Lothar Stahl","Syntheses and Structures of Cationic and Neutral, Homo- and Heteroleptic tert-Butoxides of the Group 4 Metals","Inorganic Chemistry","2010","49","","2163","2172","10.1021/ic9019537","","","0.71073","MoKα","","0.0324","0.0306","","","0.0848","0.0867","","","","","","1.046","","","","has coordinates,has disorder","179229","2020-10-21","18:00:00",""
"4314993","13.4996","0.0008","13.5632","0.0008","19.4555","0.0012","90","","90","","90","","3562.3","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H43 Ce Co N3 O19 P3 -","- C21 H43 Ce Co N3 O19 P3 -","- C84 H172 Ce4 Co4 N12 O76 P12 -","4","1","","Xiao-Yi Yi; Tony C. H. Lam; Ian D. Williams; Wa-Hung Leung","Hydrolysis of Bis(p-nitrophenyl)phosphate by Tetravalent Metal Complexes with Kläui's Oxygen Tripodal Ligand","Inorganic Chemistry","2010","49","","2232","2238","10.1021/ic902018u","","","0.71073","MoKα","","0.0293","0.0246","","","0.0464","0.0475","","","","","","0.965","","","","has coordinates","179229","2020-10-21","18:00:00",""
"4315001","13.1697","0.0009","29.501","0.002","44.867","0.003","90","","90","","90","","17432","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C156 H154 N24 Ni12 O53 -","- C156 H144 N24 Ni12 O53 -","- C624 H576 N96 Ni48 O212 -","4","1","","Albert Escuer; Jordi Esteban; Núria Aliaga-Alcalde; Mercé Font-Bardia; Teresa Calvet; Olivier Roubeau; Simon J. Teat","First Structural and Magnetic Studies of Ni Clusters Containing 2,6-Diacetylpyridine-dioxime as a Ligand","Inorganic Chemistry","2010","49","","2259","2266","10.1021/ic9020965","","","0.7749","synchrotron","","0.0725","0.0661","","","0.1507","0.1537","","","","","","1.112","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315038","8.719","0.004","16.535","0.008","24.901","0.012","90","","90","","90","","3590","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H55 N3 O Si2 Zn -","- C32 H55 N3 O Si2 Zn -","- C128 H220 N12 O4 Si8 Zn4 -","4","1","","Donald J. Darensbourg; Osit Karroonnirun","Ring-Opening Polymerization of Lactides Catalyzed by Natural Amino-Acid Based Zinc Catalysts","Inorganic Chemistry","2010","49","","2360","2371","10.1021/ic902271x","","","0.71073","MoKα","","0.0779","0.0539","","","0.119","0.1299","","","","","","1.014","","","","has coordinates,has disorder","179230","2020-10-21","18:00:00",""
"4315085","12.6293","0.001","14.5373","0.0018","25.4917","0.0014","90","","90","","90","","4680.2","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H74 N3 O2 Si2 Y -","- C43 H74 N3 O2 Si2 Y -","- C172 H296 N12 O8 Si8 Y4 -","4","1","","Alexandra G. Trambitas; Tarun K. Panda; Jelena Jenter; Peter W. Roesky; Constantin Daniliuc; Cristian G. Hrib; Peter G. Jones; Matthias Tamm","Rare-Earth Metal Alkyl, Amido, and Cyclopentadienyl Complexes Supported by Imidazolin-2-iminato Ligands: Synthesis, Structural Characterization, and Catalytic Application","Inorganic Chemistry","2010","49","","2435","2446","10.1021/ic9024052","","","0.71073","MoKα","","0.0598","0.0316","","","0.0492","0.0513","","","","","","0.885","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315086","12.5828","0.0016","14.5515","0.001","25.417","0.006","90","","90","","90","","4653.8","1.3","100","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H74 Lu N3 O2 Si2 -","- C43 H74 Lu N3 O2 Si2 -","- C172 H296 Lu4 N12 O8 Si8 -","4","1","","Alexandra G. Trambitas; Tarun K. Panda; Jelena Jenter; Peter W. Roesky; Constantin Daniliuc; Cristian G. Hrib; Peter G. Jones; Matthias Tamm","Rare-Earth Metal Alkyl, Amido, and Cyclopentadienyl Complexes Supported by Imidazolin-2-iminato Ligands: Synthesis, Structural Characterization, and Catalytic Application","Inorganic Chemistry","2010","49","","2435","2446","10.1021/ic9024052","","","0.71073","MoKα","","0.0321","0.0274","","","0.0511","0.0517","","","","","","0.973","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315089","17.6583","0.0016","17.7745","0.0016","32.43","0.003","90","","90","","90","","10178.7","1.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H80 Gd N5 O Si4 -","- C43 H80 Gd N5 O Si4 -","- C344 H640 Gd8 N40 O8 Si32 -","8","2","","Alexandra G. Trambitas; Tarun K. Panda; Jelena Jenter; Peter W. Roesky; Constantin Daniliuc; Cristian G. Hrib; Peter G. Jones; Matthias Tamm","Rare-Earth Metal Alkyl, Amido, and Cyclopentadienyl Complexes Supported by Imidazolin-2-iminato Ligands: Synthesis, Structural Characterization, and Catalytic Application","Inorganic Chemistry","2010","49","","2435","2446","10.1021/ic9024052","","","0.71073","MoKα","","0.078","0.0467","","","0.0872","0.0995","","","","","","1.029","","","","has coordinates","179230","2020-10-21","18:00:00",""
"4315110","11.495","0.002","14.426","0.003","28.924","0.006","90","","90","","90","","4796.4","1.6","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 N12 Ni4 O24 -","- C40 H32 N12 Ni4 O24 -","- C160 H128 N48 Ni16 O96 -","4","1","","Xia Li; Benlai Wu; Ruiying Wang; Hongyun Zhang; Caoyuan Niu; Yunyin Niu; Hongwei Hou","Hierarchical Assembly of Extended Coordination Networks Constructed by Novel Metallacalix[4]arenes Building Blocks","Inorganic Chemistry","2010","49","","2600","2613","10.1021/ic901113p","","","0.71073","MoKα","","0.0346","0.033","","","0.0683","0.0713","","","","","","1.081","","","","has coordinates","179231","2020-10-21","18:00:00",""
"4315175","11.516","0.005","17.618","0.005","21.407","0.005","90","","90","","90","","4343","2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H56 I2 N2 O2 Sm -","- C44 H56 I2 N2 O2 Sm -","- C176 H224 I8 N8 O8 Sm4 -","4","1","","Igor L. Fedushkin; Olga V. Maslova; Markus Hummert; Herbert Schumann","One- and Two-Electron-Transfer Reactions of (dpp-Bian)Sm(dme)3","Inorganic Chemistry","2010","49","","2901","2910","10.1021/ic902439x","","","0.71069","MoKα","","0.1043","0.0777","","","0.1473","0.1562","","","","","","1.185","","","","has coordinates,has disorder","179231","2020-10-21","18:00:00",""
"4315274","11.5396","0.0003","14.5424","0.0004","19.7738","0.0005","90","","90","","90","","3318.31","0.15","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H46 Cl4 Co N7 O15 S -","- C20 H44 Cl4 Co N7 O15 S -","- C80 H176 Cl16 Co4 N28 O60 S4 -","4","1","","Jack M. Harrowfield; George A. Koutsantonis; Nigel A. Lengkeek; Brian W. Skelton; Allan H. White","Structural and Electrochemical Studies of Co(III) Cage Amine Complexes with Pendent Thienylmethylamino Groups","Inorganic Chemistry","2010","49","","3152","3161","10.1021/ic9019603","","","0.71073","MoKα","","0.056","0.0387","","","0.0904","0.0958","","","","","","0.999","","","","has coordinates","179232","2020-10-21","18:00:00",""
"4315286","9.0448","0.0002","11.021","0.0003","15.736","0.0004","90","","90","","90","","1568.61","0.07","150","","150","","","","","","","","Anna Pizarro","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl2 N3 Ru -","- C14 H19 Cl2 N3 Ru -","- C56 H76 Cl8 N12 Ru4 -","4","1","","Ana M. Pizarro; Michael Melchart; Abraha Habtemariam; Luca Salassa; Francesca P. A. Fabbiani; Simon Parsons; Peter J. Sadler","Controlling the Reactivity of Ruthenium(II) Arene Complexes by Tether Ring-Opening","Inorganic Chemistry","2010","49","","3310","3319","10.1021/ic902243q","","","0.71073","MoKα","","0.0195","0.0186","","0.0485","0.0482","0.0485","","","","","","0.7529","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315322","11.251","0.002","19.868","0.004","29.263","0.006","90","","90","","90","","6541","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H58 N7 O6 P3 -","- C24 H58 N7 O6 P3 -","- C192 H464 N56 O48 P24 -","8","2","","Joanne Ledger; Ramamoorthy Boomishankar; Alexander Steiner","Aqueous Chemistry of Chlorocyclophosphazenes: Phosphates {PO2}, Phosphamides {P(O)NHR}, and the first Phosphites {PHO} and Pyrophosphates {(PO)2O} of These Heterocycles","Inorganic Chemistry","2010","49","","3896","3904","10.1021/ic100076t","","","0.71073","MoKα","","0.0682","0.0465","","","0.0766","0.0816","","","","","","1.02","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4315332","7.9575","0.0008","15.6813","0.0014","22.837","0.002","90","","90","","90","","2849.7","0.5","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 B10 Co O2 S2 -","- C25 H27 B10 Co O2 S2 -","- C100 H108 B40 Co4 O8 S8 -","4","1","","Yuguang Li; Qibai Jiang; Xiaolei Zhang; Yizhi Li; Hong Yan; Vladimir I. Bregadze","Stepwise and Selective Carborane Substitution in the B(3,6) Positions of a 16e CpCo Half-Sandwich Complex Containing a Chelatingortho-Carborane-1,2-dithiolate Ligand","Inorganic Chemistry","2010","49","","3911","3917","10.1021/ic1001804","","","0.71073","MoKα","","0.0585","0.042","","","0.0865","0.0934","","","","","","0.992","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4315346","12.058","0.002","12.668","0.002","29.658","0.006","90","","90","","90","","4530.3","1.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","tSiP3(dmpm)FeCl+ BPh4-","","","- C42 H67 B Cl Fe P5 Si -","- C42 H67 B Cl Fe P5 Si -","- C168 H268 B4 Cl4 Fe4 P20 Si4 -","4","1","","Kristen A. Thoreson; Angela D. Follett; Kristopher McNeill","Synthesis and Characterization of Pentaphosphino Zero-Valent Iron Complexes and Their Corresponding Iron(II)-Chloride and -Hydride Complexes","Inorganic Chemistry","2010","49","","3942","3949","10.1021/ic1003325","","","0.71073","MoKα","","0.0537","0.0426","","","0.089","0.0927","","","","","","1.054","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4315390","5.4363","0.0011","5.7546","0.0012","19.143","0.004","90","","90","","90","","598.9","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","sodium_tetrafluoromolybdate","Disodium_dioxotetrafluoro_molybdate_hydrate","","- F4 H2 Mo Na2 O3 -","- F4 H2 Mo Na2 O3 -","- F16 H8 Mo4 Na8 O12 -","4","1","","Hashem Shorafa; Halil Ficicioglu; Farhad Tamadon; Frank Girgsdies; Konrad Seppelt","Molybdenum Difluoride Dioxide, MoO2F2","Inorganic Chemistry","2010","49","","4263","4267","10.1021/ic1000864","","","0.71073","MoKα","","0.0507","0.0471","","","0.1187","0.1199","","","","","","1.264","","","","has coordinates","179233","2020-10-21","18:00:00",""
"4315413","12.2235","0.0015","14.4669","0.0018","26.899","0.003","90","","90","","90","","4756.7","1","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","4b","","","- C51 H47 Cl2 I2 Ir O2 P2 -","- C51 H47 Cl2 I2 Ir O2 P2 -","- C204 H188 Cl8 I8 Ir4 O8 P8 -","4","1","","Abdurrahman C. Atesin; Jing Zhang; Tulaza Vaidya; William W. Brennessel; Alison J. Frontier; Richard Eisenberg","Synthesis, Characterization, and Catalytic Properties of New Electrophilic Iridium(III) Complexes Containing the (R)-(+)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl Ligand","Inorganic Chemistry","2010","49","","4331","4342","10.1021/ic100300y","","","0.71073","MoKα","","0.0383","0.0326","","","0.0784","0.08","","","","","","1.045","","","","has coordinates","179234","2020-10-21","18:00:00",""
"4315523","8.9631","0.0004","16.7443","0.0006","26.472","0.001","90","","90","","90","","3972.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[N(CH2C6H2-3-tBu-5-OMe-2-O)3]TiCl . C6H6","[Nitrilotris(4-methoxy-6-tert-butyl-o-cresolato)] chlorotitanium(IV) benzene solvate","","- C42 H54 Cl N O6 Ti -","- C42 H54 Cl N O6 Ti -","- C168 H216 Cl4 N4 O24 Ti4 -","4","1","","Davide Lionetti; Andrew J. Medvecz; Vesela Ugrinova; Mauricio Quiroz-Guzman; Bruce C. Noll; Seth N. Brown","Redox-Active Tripodal Aminetris(aryloxide) Complexes of Titanium(IV)","Inorganic Chemistry","2010","49","","4687","4697","10.1021/ic100347h","","","0.71073","MoKα","","0.0307","0.0272","","","0.0666","0.0683","","","","","","1.022","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4315528","21.4695","0.0013","22.5652","0.0013","29.9365","0.0018","90","","90","","90","","14503.1","1.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H106 Ge2 O P4 Si8 -","- C56 H106 Ge2 O P4 Si8 -","- C448 H848 Ge16 O8 P32 Si64 -","8","2","","Keith Izod; John Stewart; Ewan R. Clark; William Clegg; Ross W. Harrington","Germanium(II) and Tin(II) Complexes of a Sterically Demanding Phosphanide Ligand","Inorganic Chemistry","2010","49","","4698","4707","10.1021/ic1003534","","","0.71073","MoKα","","0.0931","0.0507","","","0.1014","0.1208","","","","","","1.14","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4315542","8.365","0.0017","13.832","0.003","18.646","0.004","90","","90","","90","","2157.4","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 I N P2 Se -","- C16 H36 I N P2 Se -","- C64 H144 I4 N4 P8 Se4 -","4","1","","Jamie S. Ritch; Stuart D. Robertson; Maarit Risto; Tristram Chivers","Synthesis, Multinuclear NMR Spectra, and X-ray Structures of tBu2PNP(I)tBu2 and EPR2NP(I)R2 (E = Se, Te; R =iPr,tBu)","Inorganic Chemistry","2010","49","","4681","4686","10.1021/ic1005055","","","0.71073","MoKα","","0.05","0.0422","","","0.083","0.0871","","","","","","1.151","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4315544","8.1071","0.0016","14.262","0.003","18.862","0.004","90","","90","","90","","2180.9","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 I N P2 Te -","- C16 H36 I N P2 Te -","- C64 H144 I4 N4 P8 Te4 -","4","1","","Jamie S. Ritch; Stuart D. Robertson; Maarit Risto; Tristram Chivers","Synthesis, Multinuclear NMR Spectra, and X-ray Structures of tBu2PNP(I)tBu2 and EPR2NP(I)R2 (E = Se, Te; R =iPr,tBu)","Inorganic Chemistry","2010","49","","4681","4686","10.1021/ic1005055","","","0.71073","MoKα","","0.0303","0.0302","","","0.0818","0.0819","","","","","","1.162","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4315546","6.3884","0.0001","8.2129","0.0002","10.721","0.0002","90","","90","","90","","562.502","0.019","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Hannah Sayre; Kyle Milos; Michael J. Goldcamp; Cynthia A. Schroll; Jeanette A. Krause; Michael J. Baldwin","Mixed-Donor, α-Hydroxy Acid-Containing Chelates for Binding and Light-Triggered Release of Iron","Inorganic Chemistry","2010","49","","4433","4439","10.1021/ic9018629","","","1.54178","CuKα","","0.027","0.0267","","","0.0651","0.0653","","","","","","1.158","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4315548","7.9092","0.0013","17.075","0.003","28.341","0.005","90","","90","","90","","3827.4","1.1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H33 F6 N6 O3 P Ru S -","- C40 H33 F6 N6 O3 P Ru S -","- C160 H132 F24 N24 O12 P4 Ru4 S4 -","4","1","","Tod A. Grusenmeyer; Beth Anne McClure; Christopher J. Ziegler; Jeffrey J. Rack","Solvent Effects on Isomerization in a Ruthenium Sulfoxide Complex","Inorganic Chemistry","2010","49","","4466","4470","10.1021/ic902047f","","","0.71073","MoKα","","0.0402","0.032","","","0.0638","0.0741","","","","","","0.954","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4315672","8.8633","0.0018","12.378","0.003","31.719","0.006","90","","90","","90","","3479.9","1.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H50 N12 O15 Zn2 -","- C23 H50 N12 O15 Zn2 -","- C92 H200 N48 O60 Zn8 -","4","1","","Masanori Kitamura; Hiroyuki Nishimoto; Keita Aoki; Masato Tsukamoto; Shin Aoki","Molecular Recognition of Inositol 1,4,5-Trisphosphate and Model Compounds in Aqueous Solution by Ditopic Zn2+ Complexes Containing Chiral Linkers","Inorganic Chemistry","2010","49","","5316","5327","10.1021/ic1004038","","","0.7107","MoKα","","0.0978","0.0854","","","0.2036","0.2195","","","","","","1.153","","","","has coordinates","179236","2020-10-21","18:00:00",""
"4315727","7.2983","0.0001","10.8015","0.0002","15.1294","0.0002","90","","90","","90","","1192.69","0.03","100","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2Se-BF2","Difluoroboryl-(2-selenyl)dipyrrin","","- C13 H9 B F2 N2 Se -","- C13 B F2 N2 Se -","- C52 B4 F8 N8 Se4 -","4","1","","Kibong Kim; Changbum Jo; Shanmugam Easwaramoorthi; Jooyoung Sung; Dong Ho Kim; David G. Churchill","Crystallographic, Photophysical, NMR Spectroscopic and Reactivity Manifestations of the ""8-Heteroaryl Effect"" in 4,4-Difluoro-8-(C4H3X)-4-bora-3a,4a-diaza-s-indacene (X= O, S, Se) (BODIPY) Systems","Inorganic Chemistry","2010","49","","4881","4894","10.1021/ic902467h","","","0.71073","MoKα","","0.0423","0.0379","","","0.1026","0.105","","","","","","1.037","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4315752","11.845","0.006","11.854","0.006","12.943","0.006","90","","90","","90","","1817.3","1.6","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Sb -","- C21 H21 Sb -","- C84 H84 Sb4 -","4","1","","Vilma R. Bojan; Eduardo J. Fernández; Antonio Laguna; José M. López-de-Luzuriaga; Miguel Monge; M. Elena Olmos; Raquel C. Puelles; Cristian Silvestru","Study of the Coordination Abilities of Stibine Ligands to Gold(I)","Inorganic Chemistry","2010","49","","5530","5541","10.1021/ic1003484","","","0.71073","MoKα","","0.0606","0.0538","","","0.1216","0.1252","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4315766","15.632","0.003","17.187","0.003","22.73","0.005","90","","90","","90","","6107","2","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H96 N4 Pb -","- C64 H96 N4 Pb -","- C256 H384 N16 Pb4 -","4","1","","Anukul Jana; Herbert W. Roesky; Carola Schulzke; Prinson P. Samuel; Alexander Döring","Synthesis and Reaction of Monomeric Germanium(II) and Lead(II) Dimethylamide and the Synthesis of Germanium(II) Hydrazide by Clevage of one N-H bond of Hydrazine","Inorganic Chemistry","2010","49","","5554","5559","10.1021/ic1003808","","","0.71073","MoKα","","0.0643","0.0475","","","0.0768","0.0809","","","","","","1.03","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4315798","8.7744","0.001","12.1686","0.0014","13.4618","0.0016","90","","90","","90","","1437.3","0.3","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N O7 V -","- C15 H12 N O7 V -","- C60 H48 N4 O28 V4 -","4","1","","Susan K. Hanson; R. Tom Baker; John C. Gordon; Brian L. Scott; David L. Thorn","Aerobic Oxidation of Lignin Models Using a Base Metal Vanadium Catalyst","Inorganic Chemistry","2010","49","","5611","5618","10.1021/ic100528n","","","0.71073","MoKα","","0.0507","0.037","","","0.0711","0.0766","","","","","","0.984","","","","has coordinates","179237","2020-10-21","18:00:00",""
"4315805","9.0055","0.0004","9.0841","0.0003","16.5477","0.0007","90","","90","","90","","1353.72","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(SP-4-1)-Bis(acetone oxime-kappaN)diiodidoplatinum(II)","","- C6 H14 I2 N2 O2 Pt -","- C6 H14 I2 N2 O2 Pt -","- C24 H56 I8 N8 O8 Pt4 -","4","1","","Yulia Yu. Scaffidi-Domianello; Kristof Meelich; Michael A. Jakupec; Vladimir B. Arion; Vadim Yu. Kukushkin; Markus Galanski; Bernhard K. Keppler","Novel Cis- and Trans-Configured Bis(oxime)platinum(II) Complexes: Synthesis, Characterization, and Cytotoxic Activity","Inorganic Chemistry","2010","49","","5669","5678","10.1021/ic100584b","","","0.71073","MoKα","","0.0158","0.0144","","","0.0305","0.0309","","","","","","0.99","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315861","10.4641","0.0016","18.324","0.003","22.244","0.004","90","","90","","90","","4265.2","1.2","100.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 Mo N O9 S4 Si -","- C36 H48 Mo N O9 S4 Si -","- C144 H192 Mo4 N4 O36 S16 Si4 -","4","1","","Hideki Sugimoto; Susumu Tatemoto; Koichiro Suyama; Hiroyuki Miyake; Regina P. Mtei; Shinobu Itoh; Martin L. Kirk","Monooxomolybdenum(VI) Complexes Possessing Olefinic Dithiolene Ligands: Probing Mo-S Covalency Contributions to Electron Transfer in Dimethyl Sulfoxide Reductase Family Molybdoenzymes","Inorganic Chemistry","2010","49","","5368","5370","10.1021/ic100825x","","","0.7107","MoKα","","","0.0316","","","","0.0871","","","","","","0.864","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4315869","8.1017","0.0001","21.4564","0.0002","25.156","0.0002","90","","90","","90","","4372.95","0.08","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H64 Cl6 N2 P2 Pt -","- C40 H64 Cl6 N2 P2 Pt -","- C160 H256 Cl24 N8 P8 Pt4 -","4","1","","Svetlana N. Ignatieva; Anna S. Balueva; Andrey A. Karasik; Shamil K. Latypov; Anna G. Nikonova; Olga E. Naumova; Peter Lönnecke; Evamarie Hey-Hawkins; Oleg G. Sinyashin","First Representative of Optically Active P-l-Menthyl-Substituted (Aminomethyl)phosphine and Its Borane and Metal Complexes","Inorganic Chemistry","2010","49","","5407","5412","10.1021/ic902564n","","","0.71073","MoKα","","0.0199","0.0176","","","0.0367","0.038","","","","","","1.107","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315897","11.2423","0.0011","15.7444","0.0016","20.618","0.002","90","","90","","90","","3649.5","0.6","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 Cl4 N5 O2 Zn2 -","- C34 H39 Cl4 N5 O2 Zn2 -","- C136 H156 Cl16 N20 O8 Zn8 -","4","1","","Jue-Chao Jiang; Zhao-Lian Chu; Wei Huang; Gang Wang; Xiao-Zeng You","Dinuclear Cadmium(II), Zinc(II), and Manganese(II), Trinuclear Nickel(II), and Pentanuclear Copper(II) Complexes with Novel Macrocyclic and Acyclic Schiff-Base Ligands Having Enantiopure or Racemic Camphoric Diamine Components","Inorganic Chemistry","2010","49","","5897","5911","10.1021/ic100349d","","","0.71073","MoKα","","0.0739","0.0405","","","0.0649","0.0729","","","","","","0.793","","","","has coordinates","179238","2020-10-21","18:00:00",""
"4315955","7.7384","0.0003","11.3479","0.0005","18.1263","0.0009","90","","90","","90","","1591.75","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Cl Co N3 -","- C15 H23 Cl Co N3 -","- C60 H92 Cl4 Co4 N12 -","4","1","","Amanda C. Bowman; Carsten Milsmann; Eckhard Bill; Emil Lobkovsky; Thomas Weyhermüller; Karl Wieghardt; Paul J. Chirik","Reduced N-Alkyl Substituted Bis(imino)pyridine Cobalt Complexes: Molecular and Electronic Structures for Compounds Varying by Three Oxidation States","Inorganic Chemistry","2010","49","","6110","6123","10.1021/ic100717w","","","0.71073","MoKα","","0.0623","0.0422","","","0.063","0.0686","","","","","","0.945","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4315967","13.9644","0.0001","14.5989","0.0001","22.6777","0.0002","90","","90","","90","","4623.19","0.06","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[K(2,2,2-crypt)][Fe(2,2'bipy)(C9H11)2]","","- C46 H66 Fe K N4 O6 -","- C46 H66 Fe K N4 O6 -","- C184 H264 Fe4 K4 N16 O24 -","4","1","","Mark Irwin; Rhiannon K. Jenkins; Mark S. Denning; Tobias Krämer; Fernande Grandjean; Gary J. Long; Radovan Herchel; John E. McGrady; Jose M. Goicoechea","Experimental and Computational Study of the Structural and Electronic Properties of FeII(2,2'-bipyridine)(mes)2 and [FeII(2,2'-bipyridine)(mes)2]-, a Complex Containing a 2,2'-Bipyridyl Radical Anion","Inorganic Chemistry","2010","49","","6160","6171","10.1021/ic100817s","","","0.71073","MoKα","","0.0377","0.03","","","0.0667","0.0703","","","","","","1.043","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4315977","13.2975","0.0016","16.2231","0.0016","24.402","0.003","90","","90","","90","","5264.2","1","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H52 O7 P Pt Re2 Sb3 -","- C49 H52 O7 P Pt Re2 Sb3 -","- C196 H208 O28 P4 Pt4 Re8 Sb12 -","4","1","","Richard D. Adams; William C. Pearl","Reactions of the Platinum (Tri-tert-butylphosphine) Group with Bridging SbPh2 Ligands in Rhenium-Antimony Carbonyl Complexes","Inorganic Chemistry","2010","49","","6188","6195","10.1021/ic1008335","","","0.71073","MoKα","","0.051","0.0349","","","0.0635","0.071","","","","","","1.024","","","","has coordinates","179239","2020-10-21","18:00:00",""
"4316106","9.9237","0.0003","11.3495","0.0003","56.9097","0.0018","90","","90","","90","","6409.7","0.3","293.1","","293.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H73 Ir P2 Re2 S7 Si4 -","- C51 H64 Ir P2 Re2 S7 Si4 -","- C204 H256 Ir4 P8 Re8 S28 Si16 -","4","1","","Rie Shibata; Hidetake Seino; Shunpei Fujii; Yasushi Mizobe","Core Conversion Reactions of the Cubane-Type Metal-Sulfido Clusters: Shape Shift, Contraction, and Expansion of the MM'Re2S4 Cubanes (M = Ir, Rh, Ru; M' = Pt, Pd)","Inorganic Chemistry","2010","49","","6889","6896","10.1021/ic100339f","","","0.7107","MoKα","","","0.0346","","","","0.1015","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316159","8.475","0.005","13.102","0.005","27.343","0.005","90","0.005","90","0.005","90","0.005","3036","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N4 Ni O2 S2 -","- C29 H38 N4 Ni O2 S2 -","- C116 H152 N16 Ni4 O8 S8 -","4","1","","Eric M. Gale; Beulah S. Narendrapurapu; Andrew C. Simmonett; Henry F. Schaefer; Todd C. Harrop","Exploring the Effects of H-Bonding in Synthetic Analogues of Nickel Superoxide Dismutase (Ni-SOD): Experimental and Theoretical Implications for Protection of the Ni-SCys Bond","Inorganic Chemistry","2010","49","","7080","7096","10.1021/ic1009187","","","0.71073","MoKα","","0.0861","0.046","","","0.0942","0.1101","","","","","","1.003","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316160","11.087","0.005","13.944","0.005","17.948","0.005","90","0.005","90","0.005","90","0.005","2774.7","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 N4 Ni O2 S2 -","- C25 H38 N4 Ni O2 S2 -","- C100 H152 N16 Ni4 O8 S8 -","4","1","","Eric M. Gale; Beulah S. Narendrapurapu; Andrew C. Simmonett; Henry F. Schaefer; Todd C. Harrop","Exploring the Effects of H-Bonding in Synthetic Analogues of Nickel Superoxide Dismutase (Ni-SOD): Experimental and Theoretical Implications for Protection of the Ni-SCys Bond","Inorganic Chemistry","2010","49","","7080","7096","10.1021/ic1009187","","","0.71073","MoKα","","0.2465","0.068","","","0.1378","0.2036","","","","","","0.94","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316176","7.7405","0.0003","12.6633","0.0005","15.6545","0.0006","90","","90","","90","","1534.46","0.1","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 O4 Os -","- C16 H10 O4 Os -","- C64 H40 O16 Os4 -","4","1","","Richard D. Adams; William C. Pearl","Osmium-Bismuth Complexes from the Reaction of Os3(CO)11(NCMe) with BiPh3","Inorganic Chemistry","2010","49","","7170","7175","10.1021/ic100994t","","","0.71073","MoKα","","0.0339","0.0265","","","0.0513","0.0536","","","","","","1.018","","","","has coordinates","179241","2020-10-21","18:00:00",""
"4316260","8.484","0.0012","14.384","0.003","19.216","0.002","90","","90","","90","","2345","0.6","165","2","165","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 N4 O4 -","- C23 H32 N4 O4 -","- C92 H128 N16 O16 -","4","1","","Florian Blasberg; Jan W. Bats; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Para-Quinone-Containing Bis(pyrazol-1-yl)methane Ligands: Coordination Behavior Toward CoII and a C-H Activation Reaction with CeIV","Inorganic Chemistry","2010","49","","7435","7445","10.1021/ic100754k","","","0.71073","MoKα","","0.0627","0.0386","","","0.0783","0.0862","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4316270","16.963","0.003","18.283","0.003","18.373","0.003","90","","90","","90","","5698.1","1.7","203","2","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","catena-{bis(tetraphenylphosphonium)[μ3-chloro-tris-μ3-mesoxalato- -κO:O',O'':O'',O''':O''''-triscuprate(II)-manganate(II)} monohydrate (Ph4P)2[MnCu3(mesox)3Cl].H2o with H2 on crystal water included for calculation: C57 H45 Cl Cu3 Mn O19 P2, M = 1376.88 Z = 4, F(000) = 2792, Dx = 1.605 g/cm-3","","- C57 H43 Cl Cu3 Mn O19 P2 -","- C57 H43 Cl Cu3 Mn O19 P2 -","- C228 H172 Cl4 Cu12 Mn4 O76 P8 -","4","1","","Beatriz Gil-Hernández; Pedro Gili; Jana K. Vieth; Christoph Janiak; Joaquín Sanchiz","Magnetic Ordering in Two Molecule-Based (10,3)-a Nets Prepared from a Copper(II) Trinuclear Secondary Building Unit","Inorganic Chemistry","2010","49","","7478","7490","10.1021/ic100796e","","","0.71073","MoKα","","0.0866","0.0598","","","0.1473","0.1643","","","","","","1.022","","","","has coordinates","179242","2020-10-21","18:00:00",""
"4316380","17.709","0.006","17.992","0.012","18.445","0.011","90","","90","","90","","5877","6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H43 Cl Co Cu3 O18 P2 -","- C57 H40 Cl Co Cu3 O18 P2 -","- C228 H160 Cl4 Co4 Cu12 O72 P8 -","4","1","","Joaquín Sanchiz; Jorge Pasán; Oscar Fabelo; Francesc Lloret; Miguel Julve; Catalina Ruiz-Pérez","[Cu3(Hmesox)3]3-: a Precursor for the Rational Design of Chiral Molecule-Based Magnets (H4mesox = 2-dihydroxymalonic acid)","Inorganic Chemistry","2010","49","","7880","7889","10.1021/ic100786j","","x-ray","0.71073","MoKα","","0.1316","0.087","","","0.2243","0.2568","","","","","","1.063","","","","has coordinates","179243","2020-10-21","18:00:00",""
"4316422","7.3023","0.0001","16.4433","0.0002","45.2477","0.0006","90","","90","","90","","5433.07","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N9 -","- C19 H17 N9 -","- C228 H204 N108 -","12","3","","Tyler J. Morin; Andrew Merkel; Sergey V. Lindeman; James R. Gardinier","Breaking the Cycle: Impact of Sterically-Tailored Tetra(pyrazolyl)lutidines on the Self-Assembly of Silver(I) Complexes","Inorganic Chemistry","2010","49","","7992","8002","10.1021/ic1010538","","","1.54178","CuKα","","0.04","0.0343","","","0.0809","0.0833","","","","","","1.022","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4316458","12.0093","0.0005","18.4274","0.0013","20.8751","0.0017","90","","90","","90","","4619.7","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H72 N3 Na O5 Si6 U -","- C28 H72 N3 Na O5 Si6 U -","- C112 H288 N12 Na4 O20 Si24 U4 -","4","1","","Olivier Bénaud; Jean-Claude Berthet; Pierre Thuéry; Michel Ephritikhine","The Bis Metallacyclic Anion [U(N{SiMe3}2)(CH2SiMe2N{SiMe3})2]-","Inorganic Chemistry","2010","49","","8117","8130","10.1021/ic1012044","","","0.71073","MoKα","","0.0611","0.0441","","","0.063","0.0668","","","","","","1.065","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4316459","11.8047","0.0005","14.0356","0.0005","23.6273","0.0008","90","","90","","90","","3914.7","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H60 K N3 O Si6 U -","- C22 H60 K N3 O Si6 U -","- C88 H240 K4 N12 O4 Si24 U4 -","4","1","","Olivier Bénaud; Jean-Claude Berthet; Pierre Thuéry; Michel Ephritikhine","The Bis Metallacyclic Anion [U(N{SiMe3}2)(CH2SiMe2N{SiMe3})2]-","Inorganic Chemistry","2010","49","","8117","8130","10.1021/ic1012044","","","0.71073","MoKα","","0.0364","0.029","","","0.0657","0.0672","","","","","","1.036","","","","has coordinates","179244","2020-10-21","18:00:00",""
"4316515","11.2916","0.0005","16.2609","0.0008","18.6217","0.0009","90","","90","","90","","3419.2","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 N2 P2 Pt2 -","- C37 H40 N2 P2 Pt2 -","- C148 H160 N8 P8 Pt8 -","4","1","","Mehdi Rashidi; S. Masoud Nabavizadeh; Ahad Zare; Sirous Jamali; Richard J. Puddephatt","Associative and Dissociative Mechanisms in the Formation of Phthalazine Bridged Organodiplatinum(II) Complexes","Inorganic Chemistry","2010","49","","8435","8443","10.1021/ic1010067","","","0.71073","MoKα","","0.0271","0.0222","","","0.0365","0.0378","","","","","","0.986","","","","has coordinates","179245","2020-10-21","18:00:00",""
"4316545","7.8615","0.0011","9.5683","0.0013","13.89","0.0017","90","","90","","90","","1044.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Bi2 F12 Xe -","- Bi2 F12 Xe -","- Bi8 F48 Xe4 -","4","1","","Hugh St. A. Elliott; John F. Lehmann; Hélène P.A. Mercier; H. Donald Brooke Jenkins; Gary J. Schrobilgen","X-ray Crystal Structures of [XeF][MF6] (M = As, Sb, Bi), [XeF][M2F11] (M = Sb, Bi) and Estimated Thermochemical Data and Predicted Stabilities for Noble-Gas Fluorocation Salts using Volume-Based Thermodynamics","Inorganic Chemistry","2010","49","","8504","8523","10.1021/ic101152x","","","0.71073","MoKα","","0.0573","0.0395","","","0.0714","0.0759","","","","","","1.009","","","","has coordinates","179245","2020-10-21","18:00:00",""
"4316616","6.5836","0.0004","10.1932","0.0007","18.1889","0.0012","90","","90","","90","","1220.62","0.14","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 Cr N O7 -","- C9 H9 Cr N O7 -","- C36 H36 Cr4 N4 O28 -","4","1","","Wei-Qiang Zhang; Adrian C. Whitwood; Ian J. S. Fairlamb; Jason M. Lynam","Group 6 Carbon Monoxide-Releasing Metal Complexes with Biologically-Compatible Leaving Groups","Inorganic Chemistry","2010","49","","8941","8952","10.1021/ic101230j","","","0.71073","MoKα","","0.0239","0.0224","","","0.057","0.0579","","","","","","1.066","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4316617","6.5865","0.0003","10.1935","0.0005","18.2009","0.0009","90","","90","","90","","1222","0.1","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 Cr N O7 -","- C9 H9 Cr N O7 -","- C36 H36 Cr4 N4 O28 -","4","1","","Wei-Qiang Zhang; Adrian C. Whitwood; Ian J. S. Fairlamb; Jason M. Lynam","Group 6 Carbon Monoxide-Releasing Metal Complexes with Biologically-Compatible Leaving Groups","Inorganic Chemistry","2010","49","","8941","8952","10.1021/ic101230j","","","0.71073","MoKα","","0.019","0.0183","","","0.0496","0.0499","","","","","","1.051","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4316619","6.6638","0.0004","10.1858","0.0006","18.5634","0.0011","90","","90","","90","","1260.01","0.13","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N O7 W -","- C9 H9 N O7 W -","- C36 H36 N4 O28 W4 -","4","1","","Wei-Qiang Zhang; Adrian C. Whitwood; Ian J. S. Fairlamb; Jason M. Lynam","Group 6 Carbon Monoxide-Releasing Metal Complexes with Biologically-Compatible Leaving Groups","Inorganic Chemistry","2010","49","","8941","8952","10.1021/ic101230j","","","0.71073","MoKα","","0.0114","0.0113","","","0.0261","0.0262","","","","","","1.049","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4316621","9.5709","0.0015","17.391","0.003","20.501","0.003","90","","90","","90","","3412.3","0.9","173.5","","173.5","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H51 Mo N2 O3 P -","- C34 H51 Mo N2 O3 P -","- C136 H204 Mo4 N8 O12 P4 -","4","1","","María Alonso; M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Miguel A. Ruiz","Chemistry of the Oxophosphinidene Ligand. 1. Electronic Structure of the Anionic Complexes [MCp{P(O)R*}(CO)2]- (M = Mo, W; R* = 2,4,6-C6H2tBu3) and Their Reactions with H+ and C-Based Electrophiles.","Inorganic Chemistry","2010","49","","8962","8976","10.1021/ic101261f","","","0.71073","MoKα","","0.0904","0.0442","","","0.0735","0.0846","","","","","","0.933","","","","has coordinates,has disorder","179246","2020-10-21","18:00:00",""
"4316644","12.26","0.005","16.142","0.005","17.471","0.005","90","0.005","90","0.005","90","0.005","3458","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H39 Cl3 N14 Ni2 O13 -","- C17 H39 Cl3 N14 Ni2 O13 -","- C68 H156 Cl12 N56 Ni8 O52 -","4","1","","Antonio J. Mota; Antonio Rodríguez-Diéguez; M. Ángeles Palacios; Juan M. Herrera; Dominique Luneau; Enrique Colacio","Theoretical and Experimental Study of the Effectiveness of the 5-Pyrimidyl-tetrazolate Bridging Ligand in Mediating Magnetic Exchange Interactions","Inorganic Chemistry","2010","49","","8986","8996","10.1021/ic101322s","","","0.71069","MoKα","","0.0789","0.0661","","","0.1672","0.1778","","","","","","1.045","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4316697","15.6543","0.0007","15.9364","0.0008","24.087","0.0011","90","","90","","90","","6009.1","0.5","180","","180","","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H64 Cl Dy Fe2 N6 O17 -","- C59 H64 Cl Dy Fe2 N6 O17 -","- C236 H256 Cl4 Dy4 Fe8 N24 O68 -","4","1","","Tomoka Yamaguchi; Jean-Pierre Costes; Yukana Kishima; Masaaki Kojima; Yukinari Sunatsuki; Nicolas Bréfuel; Jean-Pierre Tuchagues; Laure Vendier; Wolfgang Wernsdorfer","Face-Sharing Heterotrinuclear MII-LnIII-MII (M = Mn, Fe, Co, Zn; Ln = La, Gd, Tb, Dy) Complexes: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","9125","9135","10.1021/ic100460w","","","","MoKα","","0.0518","0.0401","","","0.1099","0.1163","","","","","","1.051","","","","has coordinates","179246","2020-10-21","18:00:00",""
"4316700","15.7227","0.001","15.8241","0.001","24.3813","0.0015","90","","90","","90","","6066","0.7","180","","180","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H64 Co2 Dy N7 O16 -","- C59 H64 Co2 Dy N7 O16 -","- C236 H256 Co8 Dy4 N28 O64 -","4","1","","Tomoka Yamaguchi; Jean-Pierre Costes; Yukana Kishima; Masaaki Kojima; Yukinari Sunatsuki; Nicolas Bréfuel; Jean-Pierre Tuchagues; Laure Vendier; Wolfgang Wernsdorfer","Face-Sharing Heterotrinuclear MII-LnIII-MII (M = Mn, Fe, Co, Zn; Ln = La, Gd, Tb, Dy) Complexes: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","9125","9135","10.1021/ic100460w","","","","MoKα","","0.0485","0.0384","","","0.0914","0.0945","","","","","","0.964","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316701","15.672","0.0007","15.9438","0.0007","24.5234","0.0011","90","","90","","90","","6127.7","0.5","180","","180","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H60 Gd Mn2 N7 O15 -","- C58 H60 Gd Mn2 N7 O15 -","- C232 H240 Gd4 Mn8 N28 O60 -","4","1","","Tomoka Yamaguchi; Jean-Pierre Costes; Yukana Kishima; Masaaki Kojima; Yukinari Sunatsuki; Nicolas Bréfuel; Jean-Pierre Tuchagues; Laure Vendier; Wolfgang Wernsdorfer","Face-Sharing Heterotrinuclear MII-LnIII-MII (M = Mn, Fe, Co, Zn; Ln = La, Gd, Tb, Dy) Complexes: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","9125","9135","10.1021/ic100460w","","","","MoKα","","0.0411","0.0363","","","0.0968","0.0997","","","","","","1.065","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316702","15.6736","0.001","24.5055","0.0019","15.921","0.0011","90","","90","","90","","6115.1","0.7","150","","150","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H60 Mn2 N7 O15 Tb -","- C58 H60 Mn2 N7 O15 Tb -","- C232 H240 Mn8 N28 O60 Tb4 -","4","1","","Tomoka Yamaguchi; Jean-Pierre Costes; Yukana Kishima; Masaaki Kojima; Yukinari Sunatsuki; Nicolas Bréfuel; Jean-Pierre Tuchagues; Laure Vendier; Wolfgang Wernsdorfer","Face-Sharing Heterotrinuclear MII-LnIII-MII (M = Mn, Fe, Co, Zn; Ln = La, Gd, Tb, Dy) Complexes: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","9125","9135","10.1021/ic100460w","","","0.71073","MoKα","","0.0509","0.0444","","","0.1084","0.1142","","","","","","1.089","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316703","15.6534","0.0007","15.9509","0.0008","24.489","0.0013","90","","90","","90","","6114.6","0.5","180","","180","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H64 Dy Mn2 N7 O16 -","- C59 H64 Dy Mn2 N7 O16 -","- C236 H256 Dy4 Mn8 N28 O64 -","4","1","","Tomoka Yamaguchi; Jean-Pierre Costes; Yukana Kishima; Masaaki Kojima; Yukinari Sunatsuki; Nicolas Bréfuel; Jean-Pierre Tuchagues; Laure Vendier; Wolfgang Wernsdorfer","Face-Sharing Heterotrinuclear MII-LnIII-MII (M = Mn, Fe, Co, Zn; Ln = La, Gd, Tb, Dy) Complexes: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","9125","9135","10.1021/ic100460w","","","","MoKα","","0.0391","0.0358","","","0.0931","0.0957","","","","","","1.06","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316704","15.779","0.003","15.973","0.003","24.064","0.005","90","","90","","90","","6065","2","150","","150","","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H60 Cl Fe2 Gd N6 O16 -","- C58 H60 Cl Fe2 Gd N6 O16 -","- C232 H240 Cl4 Fe8 Gd4 N24 O64 -","4","1","","Tomoka Yamaguchi; Jean-Pierre Costes; Yukana Kishima; Masaaki Kojima; Yukinari Sunatsuki; Nicolas Bréfuel; Jean-Pierre Tuchagues; Laure Vendier; Wolfgang Wernsdorfer","Face-Sharing Heterotrinuclear MII-LnIII-MII (M = Mn, Fe, Co, Zn; Ln = La, Gd, Tb, Dy) Complexes: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","9125","9135","10.1021/ic100460w","","","0.71073","MoKα","","0.0477","0.0388","","","0.0887","0.0932","","","","","","0.994","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316705","15.6954","0.0012","24.0336","0.0019","15.9343","0.0012","90","","90","","90","","6010.7","0.8","150","","150","","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H64 Cl Fe2 N6 O17 Tb -","- C59 H64 Cl Fe2 N6 O17 Tb -","- C236 H256 Cl4 Fe8 N24 O68 Tb4 -","4","1","","Tomoka Yamaguchi; Jean-Pierre Costes; Yukana Kishima; Masaaki Kojima; Yukinari Sunatsuki; Nicolas Bréfuel; Jean-Pierre Tuchagues; Laure Vendier; Wolfgang Wernsdorfer","Face-Sharing Heterotrinuclear MII-LnIII-MII (M = Mn, Fe, Co, Zn; Ln = La, Gd, Tb, Dy) Complexes: Synthesis, Structures, and Magnetic Properties","Inorganic Chemistry","2010","49","","9125","9135","10.1021/ic100460w","","","0.71073","MoKα","","0.0763","0.05","","","0.1143","0.1278","","","","","","1.003","","","","has coordinates,has disorder","179247","2020-10-21","18:00:00",""
"4316715","9.7241","0.0019","11.335","0.002","18.262","0.004","90","","90","","90","","2012.9","0.7","158.2","","158.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 B Cu F4 N8 S -","- C15 H18 B Cu F4 N8 S -","- C60 H72 B4 Cu4 F16 N32 S4 -","4","1","","Martin M. Kimani; Julia L. Brumaghim; Don VanDerveer","Probing the Antioxidant Action of Selenium and Sulfur Using Cu(I)-Chalcogenone Tris(pyrazolyl)methane and -borate Complexes","Inorganic Chemistry","2010","49","","9200","9211","10.1021/ic100668b","","x-ray","0.71073","MoKα","","0.0388","0.0354","","","0.0845","0.0872","","","","","","1.137","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316723","12.9454","0.0007","14.2341","0.0008","19.0465","0.001","90","","90","","90","","3509.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 N O15 Sm2 -","- C31 H43 N O15 Sm2 -","- C124 H172 N4 O60 Sm8 -","4","1","","Ming-Ling Sun; Jian Zhang; Qi-Pu Lin; Pei-Xiu Yin; Yuan-Gen Yao","Multifunctional Homochiral Lanthanide Camphorates with Mixed Achiral Terephthalate Ligands","Inorganic Chemistry","2010","49","","9257","9264","10.1021/ic1007445","","","0.71073","MoKα","","0.0685","0.0592","","","0.1178","0.1251","","","","","","1.097","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316724","12.957","0.004","14.192","0.004","19.006","0.005","90","","90","","90","","3494.9","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 Eu2 N O15 -","- C31 H43 Eu2 N O15 -","- C124 H172 Eu8 N4 O60 -","4","1","","Ming-Ling Sun; Jian Zhang; Qi-Pu Lin; Pei-Xiu Yin; Yuan-Gen Yao","Multifunctional Homochiral Lanthanide Camphorates with Mixed Achiral Terephthalate Ligands","Inorganic Chemistry","2010","49","","9257","9264","10.1021/ic1007445","","","0.71073","MoKα","","0.0384","0.0354","","","0.0665","0.068","","","","","","1.037","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316725","12.927","0.005","14.084","0.006","18.882","0.008","90","","90","","90","","3438","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 Gd2 N O15 -","- C31 H43 Gd2 N O15 -","- C124 H172 Gd8 N4 O60 -","4","1","","Ming-Ling Sun; Jian Zhang; Qi-Pu Lin; Pei-Xiu Yin; Yuan-Gen Yao","Multifunctional Homochiral Lanthanide Camphorates with Mixed Achiral Terephthalate Ligands","Inorganic Chemistry","2010","49","","9257","9264","10.1021/ic1007445","","","0.71073","MoKα","","0.0602","0.049","","","0.0982","0.1049","","","","","","1.055","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316726","12.932","0.008","14.067","0.008","18.928","0.012","90","","90","","90","","3443","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 N O15 Tb2 -","- C31 H43 N O15 Tb2 -","- C124 H172 N4 O60 Tb8 -","4","1","","Ming-Ling Sun; Jian Zhang; Qi-Pu Lin; Pei-Xiu Yin; Yuan-Gen Yao","Multifunctional Homochiral Lanthanide Camphorates with Mixed Achiral Terephthalate Ligands","Inorganic Chemistry","2010","49","","9257","9264","10.1021/ic1007445","","","0.71073","MoKα","","0.0809","0.072","","","0.1918","0.2009","","","","","","1.016","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316727","12.939","0.003","14.111","0.003","18.91","0.004","90","","90","","90","","3452.6","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 Dy2 N O15 -","- C31 H43 Dy2 N O15 -","- C124 H172 Dy8 N4 O60 -","4","1","","Ming-Ling Sun; Jian Zhang; Qi-Pu Lin; Pei-Xiu Yin; Yuan-Gen Yao","Multifunctional Homochiral Lanthanide Camphorates with Mixed Achiral Terephthalate Ligands","Inorganic Chemistry","2010","49","","9257","9264","10.1021/ic1007445","","","0.71073","MoKα","","0.0416","0.0384","","","0.083","0.0853","","","","","","1.139","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316728","12.9406","0.0006","14.1007","0.0006","18.8914","0.0008","90","","90","","90","","3447.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 Ho2 N O15 -","- C31 H43 Ho2 N O15 -","- C124 H172 Ho8 N4 O60 -","4","1","","Ming-Ling Sun; Jian Zhang; Qi-Pu Lin; Pei-Xiu Yin; Yuan-Gen Yao","Multifunctional Homochiral Lanthanide Camphorates with Mixed Achiral Terephthalate Ligands","Inorganic Chemistry","2010","49","","9257","9264","10.1021/ic1007445","","","0.71073","MoKα","","0.0575","0.0514","","","0.1247","0.1316","","","","","","1.057","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316729","12.888","0.004","14.048","0.004","18.836","0.006","90","","90","","90","","3410.3","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 Er2 N O15 -","- C31 H43 Er2 N O15 -","- C124 H172 Er8 N4 O60 -","4","1","","Ming-Ling Sun; Jian Zhang; Qi-Pu Lin; Pei-Xiu Yin; Yuan-Gen Yao","Multifunctional Homochiral Lanthanide Camphorates with Mixed Achiral Terephthalate Ligands","Inorganic Chemistry","2010","49","","9257","9264","10.1021/ic1007445","","","0.71073","MoKα","","0.0763","0.0691","","","0.1709","0.1777","","","","","","1.085","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316730","12.967","0.005","14.162","0.005","18.984","0.006","90","","90","","90","","3486","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 Eu2 N O15 -","- C31 H43 Eu2 N O15 -","- C124 H172 Eu8 N4 O60 -","4","1","","Ming-Ling Sun; Jian Zhang; Qi-Pu Lin; Pei-Xiu Yin; Yuan-Gen Yao","Multifunctional Homochiral Lanthanide Camphorates with Mixed Achiral Terephthalate Ligands","Inorganic Chemistry","2010","49","","9257","9264","10.1021/ic1007445","","","0.71073","MoKα","","0.0437","0.0389","","","0.0692","0.0715","","","","","","1.001","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316755","6.5616","0.0003","7.2376","0.0004","30.4423","0.0016","90","","90","","90","","1445.71","0.13","100","2","100","2","","","","","","","Synthetical product","5","P 21 21 21","P 2ac 2ab","19","","Ammonium 2,3,5,6-tetrafluoro benzoate . 2,3,5,6-tetrafluoro benzoic acid","","- C14 H7 F8 N O4 -","- C14 H7 F8 N O4 -","- C56 H28 F32 N4 O16 -","4","1","","Andreas Orthaber; Christiane Seidel; Ferdinand Belaj; Jörg H. Albering; Rudolf Pietschnig; Uwe Ruschewitz","Optimized Synthesis of Tetrafluoroterephthalic Acid: A Versatile Linking Ligand for the Construction of New Coordination Polymers and Metal-Organic Frameworks","Inorganic Chemistry","2010","49","","9350","9357","10.1021/ic1009829","","","0.71073","MoKα","","0.0482","0.0309","","","0.0715","0.0808","","","","","","1.039","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316766","10.6307","0.0002","15.363","0.0003","18.6298","0.0003","90","","90","","90","","3042.61","0.1","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 F6 Fe N9 O P4 -","- C23 H41 F6 Fe N9 O P4 -","- C92 H164 F24 Fe4 N36 O4 P16 -","4","1","","Jinzhu Chen; David J. Szalda; Etsuko Fujita; Carol Creutz","Iron(II) and Ruthenium(II) Complexes Containing P, N, and H Ligands: Structure, Spectroscopy, Electrochemistry, and Reactivity","Inorganic Chemistry","2010","49","","9380","9391","10.1021/ic101077t","","","0.71073","MoKα","","0.0567","0.0435","","","0.1219","0.1312","","","","","","1.035","","","","has coordinates","179247","2020-10-21","18:00:00",""
"4316825","5.0833","0.001","14.957","0.003","16.451","0.003","90","","90","","90","","1250.8","0.4","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Dimethylpyrazolbipyridine","","","- C15 H14 N4 -","- C15 H14 N4 -","- C60 H56 N16 -","4","1","","Denise Girnt; Peter W. Roesky; Andreas Geist; Christian M. Ruff; Petra J. Panak; Melissa A. Denecke","6-(3,5-Dimethyl-1H-pyrazol-1-yl)-2,2'-bipyridine as Ligand for Actinide(III)/Lanthanide(III) Separation","Inorganic Chemistry","2010","49","","9627","9635","10.1021/ic101309j","","","0.71073","MoKα","","0.0427","0.0383","","","0.097","0.0994","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4316835","8.8874","0.0015","9.1081","0.0016","42.151","0.007","90","","90","","90","","3412","1","296","2","293","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22 Au Br2 Cl Fe N8 O4 -","- C32 H22 Au Br2 Cl Fe N8 O4 -","- C128 H88 Au4 Br8 Cl4 Fe4 N32 O16 -","4","1","","Jeffrey S. Ovens; Andrew R. Geisheimer; Alexei A. Bokov; Zuo-Guang Ye; Daniel B. Leznoff","The Use of Polarizable [AuX2(CN)2]- (X = Br, I) Building Blocks Toward the Formation of Birefringent Coordination Polymers","Inorganic Chemistry","2010","49","","9609","9616","10.1021/ic101357y","","","0.71073","MoKα","","0.0749","0.0466","","0.0795","0.0447","0.0431","","","","","","1.1758","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4316871","10.4455","0.0014","13.0522","0.0015","17.448","0.002","90","","90","","90","","2378.8","0.5","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl2 Fe P2 Pt -","- C22 H32 Cl2 Fe P2 Pt -","- C88 H128 Cl8 Fe4 P8 Pt4 -","4","1","","Chelsea L. Mandell; Shannon S. Kleinbach; William G. Dougherty; W. Scott Kassel; Chip Nataro","Electrochemistry of 1,1'-Bis(2,4-dialkylphosphetanyl)ferrocene and 1,1'-Bis(2,5-dialkylphospholanyl)ferrocene Ligands: Free Phosphines, Metal Complexes, and Chalcogenides","Inorganic Chemistry","2010","49","","9718","9727","10.1021/ic1016164","","","0.71073","MoKα","","0.0296","0.0256","","","0.0494","0.0509","","","","","","1.043","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316873","11.2156","0.0014","13.7145","0.0017","16.728","0.002","90","","90","","90","","2573","0.5","135","2","135","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl2 Fe P2 Pt -","- C24 H36 Cl2 Fe P2 Pt -","- C96 H144 Cl8 Fe4 P8 Pt4 -","4","1","","Chelsea L. Mandell; Shannon S. Kleinbach; William G. Dougherty; W. Scott Kassel; Chip Nataro","Electrochemistry of 1,1'-Bis(2,4-dialkylphosphetanyl)ferrocene and 1,1'-Bis(2,5-dialkylphospholanyl)ferrocene Ligands: Free Phosphines, Metal Complexes, and Chalcogenides","Inorganic Chemistry","2010","49","","9718","9727","10.1021/ic1016164","","","0.71073","MoKα","","0.0205","0.0189","","","0.0408","0.0412","","","","","","1.027","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316876","10.5047","0.0016","13.033","0.002","17.41","0.003","90","","90","","90","","2383.6","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl2 Fe P2 Pd -","- C22 H32 Cl2 Fe P2 Pd -","- C88 H128 Cl8 Fe4 P8 Pd4 -","4","1","","Chelsea L. Mandell; Shannon S. Kleinbach; William G. Dougherty; W. Scott Kassel; Chip Nataro","Electrochemistry of 1,1'-Bis(2,4-dialkylphosphetanyl)ferrocene and 1,1'-Bis(2,5-dialkylphospholanyl)ferrocene Ligands: Free Phosphines, Metal Complexes, and Chalcogenides","Inorganic Chemistry","2010","49","","9718","9727","10.1021/ic1016164","","","0.71073","MoKα","","0.0388","0.0303","","","0.0545","0.0578","","","","","","1.013","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316878","10.536","0.002","13.019","0.003","17.51","0.004","90","","90","","90","","2401.8","0.9","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl2 Fe P2 Pt -","- C22 H32 Cl2 Fe P2 Pt -","- C88 H128 Cl8 Fe4 P8 Pt4 -","4","1","","Chelsea L. Mandell; Shannon S. Kleinbach; William G. Dougherty; W. Scott Kassel; Chip Nataro","Electrochemistry of 1,1'-Bis(2,4-dialkylphosphetanyl)ferrocene and 1,1'-Bis(2,5-dialkylphospholanyl)ferrocene Ligands: Free Phosphines, Metal Complexes, and Chalcogenides","Inorganic Chemistry","2010","49","","9718","9727","10.1021/ic1016164","","","0.71073","MoKα","","0.0321","0.0275","","","0.048","0.0494","","","","","","1.018","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316880","11.2265","0.0004","13.7375","0.0005","16.7269","0.0006","90","","90","","90","","2579.69","0.16","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl2 Fe P2 Pt -","- C24 H36 Cl2 Fe P2 Pt -","- C96 H144 Cl8 Fe4 P8 Pt4 -","4","1","","Chelsea L. Mandell; Shannon S. Kleinbach; William G. Dougherty; W. Scott Kassel; Chip Nataro","Electrochemistry of 1,1'-Bis(2,4-dialkylphosphetanyl)ferrocene and 1,1'-Bis(2,5-dialkylphospholanyl)ferrocene Ligands: Free Phosphines, Metal Complexes, and Chalcogenides","Inorganic Chemistry","2010","49","","9718","9727","10.1021/ic1016164","","","0.71073","MoKα","","0.0244","0.0215","","","0.0405","0.0412","","","","","","1.038","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316885","12.4827","0.0012","17.3115","0.0014","18.5392","0.0021","90","","90","","90","","4006.2","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H45 Ge11 N3 O28 -","- C12 H45 Ge11 N3 O28 -","- C48 H180 Ge44 N12 O112 -","4","1","","Jie Su; Yingxia Wang; Zheming Wang; Fuhui Liao; Jianhua Lin","PKU-10: A New 3D Open-Framework Germanate with 13-Ring Channels","Inorganic Chemistry","2010","49","","9765","9769","10.1021/ic100195r","","","0.71073","MoKα","","0.0578","0.0455","","","0.1014","0.1067","","","","","","1.028","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316890","3.634","0.0002","14.5915","0.0008","16.0754","0.0009","90","","90","","90","","852.41","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 Ag N3 O4 -","- C6 H6 Ag N3 O4 -","- C24 H24 Ag4 N12 O16 -","4","1","","Morsy A. M. Abu-Youssef; Saied M. Soliman; Vratislav Langer; Yousry M. Gohar; Ahmed A. Hasanen; Mohamed A. Makhyoun; Amira H. Zaky; Lars R. Öhrström","Synthesis, Crystal Structure, Quantum Chemical Calculations, DNA Interactions, and Antimicrobial Activity of [Ag(2-amino-3-methylpyridine)2]NO3 and [Ag(pyridine-2-carboxaldoxime)NO3]","Inorganic Chemistry","2010","49","","9788","9797","10.1021/ic100581k","","","0.71073","MoKα","","0.0271","0.0259","","","0.0748","0.0754","","","","","","1.007","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316897","7.582","0.0005","16.438","0.003","30.473","0.004","90","","90","","90","","3797.9","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 Au2 N4 O S10 W2 -","- C30 H20 Au2 N4 O S10 W2 -","- C120 H80 Au8 N16 O4 S40 W8 -","4","1","","Eric W. Reinheimer; Iwona Olejniczak; Andrzej Łapiński; Roman Świetlik; Olivier Jeannin; Marc Fourmigué","Structural Distortions upon Oxidation in Heteroleptic [Cp2W(dmit)] Tungsten Dithiolene Complex: Combined Structural, Spectroscopic, and Magnetic Studies","Inorganic Chemistry","2010","49","","9777","9787","10.1021/ic1006296","","","0.71073","MoKα","","0.0788","0.0416","","","0.0621","0.069","","","","","","1.043","","","","has coordinates","179248","2020-10-21","18:00:00",""
"4316918","9.6832","0.0002","16.2667","0.0003","19.8061","0.0004","90","","90","","90","","3119.73","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Au Cl N3 -","- C14 H15 Au Cl N3 -","- C112 H120 Au8 Cl8 N24 -","8","2","","Camino Bartolomé; Domingo García-Cuadrado; Zoraida Ramiro; Pablo Espinet","Synthesis and Catalytic Activity of Gold Chiral Nitrogen Acyclic Carbenes and Gold Hydrogen Bonded Heterocyclic Carbenes in Cyclopropanation of Vinyl Arenes and in Intramolecular Hydroalkoxylation of Allenes","Inorganic Chemistry","2010","49","","9758","9764","10.1021/ic101059c","","","0.71073","MoKα","","0.043","0.0352","","","0.0817","0.0838","","","","","","1.04","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4316919","7.372","0.005","16.075","0.012","23.682","0.018","90","","90","","90","","2806","4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Au2 Cl2 N4 -","- C26 H26 Au2 Cl2 N4 -","- C104 H104 Au8 Cl8 N16 -","4","1","","Camino Bartolomé; Domingo García-Cuadrado; Zoraida Ramiro; Pablo Espinet","Synthesis and Catalytic Activity of Gold Chiral Nitrogen Acyclic Carbenes and Gold Hydrogen Bonded Heterocyclic Carbenes in Cyclopropanation of Vinyl Arenes and in Intramolecular Hydroalkoxylation of Allenes","Inorganic Chemistry","2010","49","","9758","9764","10.1021/ic101059c","","","0.71073","MoKα","","0.1916","0.0495","","","0.106","0.1659","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4316921","16.23","0.001","21.08","0.001","25.78","0.001","90","","90","","90","","8820.1","0.8","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C76 H115 Co Cs N17 O20 P S -","- C72 H83 Co Cs0.1439 N16.371 O33.23 P S0.913 -","- C288 H332 Co4 Cs0.5756 N65.484 O132.92 P4 S3.652 -","4","1","","Luciana Hannibal; Clyde A. Smith; Donald W. Jacobsen","The X-Ray Crystal Structure of Glutathionylcobalamin Revealed","Inorganic Chemistry","2010","49","","9921","9927","10.1021/ic101173b","","","0.78468","","","0.0709","0.0683","","","0.1784","0.1824","","","","","","1.106","","","","has coordinates,has disorder","179249","2020-10-21","18:00:00",""
"4316954","12.8978","0.0003","16.6086","0.0003","23.5406","0.0005","90","","90","","90","","5042.74","0.18","150","1","150","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55 H66 B Br Fe N2 O P2 -","- C55 H66 B Br Fe N2 O P2 -","- C220 H264 B4 Br4 Fe4 N8 O4 P8 -","4","1","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Iron Complexes for the Catalytic Transfer Hydrogenation of Acetophenone: Steric and Electronic Effects Imposed by Alkyl Substituents at Phosphorus","Inorganic Chemistry","2010","49","","10057","10066","10.1021/ic101366z","","","0.71073","MoKα","","0.1111","0.0553","","","0.1022","0.1183","","","","","","1.022","","","","has coordinates","179249","2020-10-21","18:00:00",""
"4316956","12.4275","0.0003","15.489","0.0005","24.0452","0.0007","90","","90","","90","","4628.4","0.2","150","1","150","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H58 B Br Fe N2 O P2 -","- C51 H58 B Br Fe N2 O P2 -","- C204 H232 B4 Br4 Fe4 N8 O4 P8 -","4","1","","Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Iron Complexes for the Catalytic Transfer Hydrogenation of Acetophenone: Steric and Electronic Effects Imposed by Alkyl Substituents at Phosphorus","Inorganic Chemistry","2010","49","","10057","10066","10.1021/ic101366z","","","0.71073","MoKα","","0.1025","0.0556","","","0.1067","0.1203","","","","","","1.036","","","","has coordinates,has disorder","179249","2020-10-21","18:00:00",""
"4316984","11.256","0.005","16.039","0.012","18.49","0.008","90","","90","","90","","3338","3","94","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 B2 Cu F8 N4 O4 -","- C30 H38 B2 Cu F8 N4 O4 -","- C120 H152 B8 Cu4 F32 N16 O16 -","4","1","","Atsushi Okazawa; Takayuki Ishida","Spin-Transition-Like Behavior on One Side in a Nitroxide-Copper(II)-Nitroxide Triad System","Inorganic Chemistry","2010","49","","10144","10147","10.1021/ic101536q","","","0.7107","MoKα","","","0.0524","","","","0.0619","","","","","","0.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317013","8.7061","0.0004","16.0693","0.0008","23.5679","0.0012","90","","90","","90","","3297.2","0.3","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","mu-oxo-bis(chloro(4-((1-methyl-1H-imidazol-2-yl)methyl)- 1-thia-4,7-diazacyclononane)iron(III)) hexafluorophosphate","mu-oxo-bis(chloro(4-((1-methyl-1H-imidazol-2-yl)methyl)- 1-thia-4,7-diazacyclononane)iron(III)) hexafluorophosphate","","- C22 H40 Cl3 F6 Fe2 N8 O P S2 -","- C22 H40 Cl3 F6 Fe2 N8 O P S2 -","- C88 H160 Cl12 F24 Fe8 N32 O4 P4 S8 -","4","1","","Jinlan Cui; Mark S. Mashuta; Robert M. Buchanan; Craig A. Grapperhaus","Synthesis, Structure, and Solution Properties of [(mim-TASN)FeCl2]+ and Its μ-Oxo Derivative","Inorganic Chemistry","2010","49","","10427","10435","10.1021/ic1012999","","","0.71073","MoKα","","0.0324","0.0312","","","0.0764","0.0772","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4317061","15.6376","0.0012","16.1576","0.0012","17.4289","0.0013","90","","90","","90","","4403.7","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(1,7-Dicarba-closo-dodecaboran-9-yl)benzamide","","- C9 H17 B10 N O -","- C9 H17 B10 N O -","- C108 H204 B120 N12 O12 -","12","3","","Yulia Sevryugina; Richard L. Julius; M. Frederick Hawthorne","Novel Approach to Aminocarboranes by Mild Amidation of Selected Iodo-carboranes","Inorganic Chemistry","2010","49","","10627","10634","10.1021/ic101620h","","","0.71073","MoKα","","0.1141","0.0456","","","0.0904","0.1194","","","","","","1.078","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317065","8.7129","0.0006","10.5873","0.0007","12.8104","0.0009","90","","90","","90","","1181.71","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(1,2-Dicarba-closo-dodecaboran-9-yl)acetamide","","- C4 H15 B10 N O -","- C4 H15 B10 N O -","- C16 H60 B40 N4 O4 -","4","1","","Yulia Sevryugina; Richard L. Julius; M. Frederick Hawthorne","Novel Approach to Aminocarboranes by Mild Amidation of Selected Iodo-carboranes","Inorganic Chemistry","2010","49","","10627","10634","10.1021/ic101620h","","","0.71073","MoKα","","0.0332","0.0327","","","0.0867","0.0873","","","","","","1.244","","","","has coordinates","179250","2020-10-21","18:00:00",""
"4317149","14.6868","0.0015","16.0815","0.0016","32.54","0.003","90","","90","","90","","7685.5","1.3","100","0.1","100","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","holssr21","","","- C39 H40 Cl2 F3 Fe N3 O4.5 S -","- C39 H40 Cl2 F3 Fe N3 O4.5 S -","- C312 H320 Cl16 F24 Fe8 N24 O36 S8 -","8","2","","Sara S. Rocks; William W. Brennessel; Timothy E. Machonkin; Patrick L. Holland","Solution and Structural Characterization of Iron(II) Complexes with Ortho-Halogenated Phenolates: Insights Into Potential Substrate Binding Modes in Hydroquinone Dioxygenases","Inorganic Chemistry","2010","49","","10914","10929","10.1021/ic101377u","","","0.71073","MoKα","","0.1228","0.0586","","","0.0787","0.0979","","","","","","0.995","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4317233","8.788","0.003","11.111","0.004","20.156","0.005","90","","90","","90","","1968.1","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H10 In K5 O5 Te4 -","- In K5 O5 Te4 -","- In4 K20 O20 Te16 -","4","1","","Johanna Heine; Stefanie Dehnen","Aqueous Telluridoindate Chemistry: Water-Soluble Salts of Monomeric, Dimeric, and Trimeric In/Te Anions [InTe4]5-, [In2Te6]6-, and [In3Te10]11-","Inorganic Chemistry","2010","49","","11216","11222","10.1021/ic101881j","","","0.71073","MoKα","","0.0523","0.0418","","","0.1131","0.1736","","","","","","1.046","","","","has coordinates","179252","2020-10-21","18:00:00",""
"4317298","7.7751","0.0017","11.519","0.002","16.058","0.004","90","","90","","90","","1438.2","0.5","100","2","100","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","1,4,7,10,13-Pentaoxacyclopentadecanesodium tetrahydroborate","","- C10 H24 B Na O5 -","- C10 H24 B Na O5 -","- C40 H96 B4 Na4 O20 -","4","1","","Peter Sirsch; Natascha L. N. Clark; Lenuţa Onuţ; Richard P. L. Burchell; Andreas Decken; G. Sean McGrady; Aziz Daoud-Aladine; Matthias J. Gutmann","Insights into Metal Borohydride and Aluminohydride Bonding: X-Ray and Neutron Diffraction Structures and a DFT and Charge Density Study of [Na(15-crown-5)][EH4] (E = B, Al)","Inorganic Chemistry","2010","49","","11395","11402","10.1021/ic1014187","","neutron","","neutron","","0.0758","0.0758","","","0.1895","0.1895","","","","","","1.039","","","","has coordinates","179252","2020-10-21","18:00:00",""
"4317339","12.6419","0.0008","18.0672","0.0011","24.7646","0.0016","90","","90","","90","","5656.3","0.6","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H58 Ir O2 P4 Rh Si -","- C64 H58 Ir O2 P4 Rh Si -","- C256 H232 Ir4 O8 P16 Rh4 Si4 -","4","1","","Md Hosnay Mobarok; Okemona Oke; Michael J. Ferguson; Robert McDonald; Martin Cowie","Multiple Silicon-Hydrogen Bond Activations at Adjacent Rhodium and Iridium Centers","Inorganic Chemistry","2010","49","","11556","11572","10.1021/ic1017196","","","0.71073","MoKα","","0.0215","0.0202","","","0.0459","0.0463","","","","","","1.095","","","","has coordinates,has disorder","179253","2020-10-21","18:00:00",""
"4317461","12.7371","0.0003","14.5258","0.0004","22.745","0.0004","90","","90","","90","","4208.2","0.17","149","","149","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H34 Cl4 N O3 P2 Re2 -","- C46 H34 Cl4 N O3 P2 Re2 -","- C184 H136 Cl16 N4 O12 P8 Re8 -","4","1","","Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton","Unsymmetrical Dirhenium Complexes That Contain [Re2]6+ and [Re2]5+ Cores Complexed by Tridentate Ligands with P2O and P2N Donor Sets","Inorganic Chemistry","2002","41","","405","412","10.1021/ic010983g","","","0.71073","MO-Kα","","","0.039","","","","0.077","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317511","9.3708","0.0005","17.3605","0.0005","20.246","0.001","90","","90","","90","","3293.7","0.3","173.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 Cl2 Fe P2 S4 W -","- C28 H30 Cl2 Fe P2 S4 W -","- C112 H120 Cl8 Fe4 P8 S16 W4 -","4","1","","Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi","Trithiotungsten(VI) Complexes Having Phosphine-Thiolate Hybrid Ligands: Synthesis and Cluster Forming Reactions with CuBr, FeCl2, and [Fe(CH3CN)6](ClO4)2","Inorganic Chemistry","2002","41","","513","520","10.1021/ic010921q","","","0.7107","MoKα","","","0.0637","","","","0.0754","","","","","","1.531","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317526","9.475","0.003","11.331","0.002","4.2964","0.0008","90","","90","","90","","461.27","0.19","221","3","","","","","","","","","Sigma-Aldrich Company","2","P 21 21 21","P 2ac 2ab","19","arsenic trichloride","","","- As Cl3 -","- As Cl3 -","- As4 Cl12 -","4","1","","Jean Galy; Renée Enjalbert; Pierre Lecante; Andrzej Burian","AsCl3: From the Crystalline to the Liquid State. XRD (176 < T(K) < 250) and WAXS (295 K) Studies","Inorganic Chemistry","2002","41","","693","698","10.1021/ic0102788","","","0.71073","MoKα","","0.0397","0.0379","","0.0933","0.0925","","","","1.082","1.097","1.097","","","","","has coordinates,has Fobs","211332","2020-10-21","18:00:00",""
"4317542","21.11","0.003","22.183","0.003","15.958","0.002","90","","90","","90","","7472.9","1.7","105","","105","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C67 H74 Cl8 Mn4 N O18 -","- C64.7359 H56 Cl2.7882 Mn4 N O18 -","- C258.944 H224 Cl11.1528 Mn16 N4 O72 -","4","1","","Guillem Aromí; Sumit Bhaduri; Pau Artús; Kirsten Folting; George Christou","Bridging Nitrate Groups in [Mn4O3(NO3)(O2CMe)3(R2dbm)3] (R = H, Et) and [Mn4O2(NO3)(O2CEt)6(bpy)2](ClO4): Acidolysis Routes to Tetranuclear Manganese Carboxylate Complexes","Inorganic Chemistry","2002","41","","805","817","10.1021/ic0105617","","","0.71069","MoKα","","","0.0748","","","","0.0735","","","","","","1.7778","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4317570","12.9544","0.0008","17.5606","0.0012","23.183","0.002","90","","90","","90","","5273.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H76 Mn N3 O3 -","- C60 H76 Mn N3 O3 -","- C240 H304 Mn4 N12 O12 -","4","1","","Hyungphil Chun; Phalguni Chaudhuri; Thomas Weyhermüller; Karl Wieghardt","o-Iminobenzosemiquinonato Complexes of Mn(III) and Mn(IV). Synthesis and Characterization of [MnIII(LISQ)2(LAP)] (St= 1) and [MnIV(LISQ)2(LAP-H)] (St=1/2)","Inorganic Chemistry","2002","41","","790","795","10.1021/ic010860w","","","0.71073","MoKα","","0.069","0.0474","","0.1168","0.0959","","","","1.04","1.074","1.074","","","","","has coordinates","179255","2020-10-21","18:00:00",""
"4317605","9.1692","0.0018","15.161","0.003","24.777","0.005","90","","90","","90","","3444.4","1.2","213","2","213","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 Cl3 Fe3 N8 O3 S5 V -","- C18 H33 Cl3 Fe3 N8 O3 S5 V -","- C72 H132 Cl12 Fe12 N32 O12 S20 V4 -","4","1","","Dmitry V. Fomitchev; Craig C. McLauchlan; R. H. Holm","Heterometal Cubane-Type MFe3S4 Clusters (M = Mo, V) Trigonally Symmetrized with Hydrotris(pyrazolyl)borate(1-) and Tris(pyrazolyl)methanesulfonate(1-) Capping Ligands","Inorganic Chemistry","2002","41","","958","966","10.1021/ic011106d","","","0.71073","MoKα","","0.0426","0.0328","","","0.0634","0.066","","","","","","0.927","","","","has coordinates,has disorder","179256","2020-10-21","18:00:00",""
"4317654","14.5015","0.0005","17.5833","0.0004","18.1465","0.0005","90","","90","","90","","4627.1","0.2","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H38 F12 N6 P2 Ru -","- C50 H38 F12 N6 P2 Ru -","- C200 H152 F48 N24 P8 Ru4 -","4","1","","Etienne Baranoff; Jean-Paul Collin; Junko Furusho; Yoshio Furusho; Anne-Chantal Laemmel; Jean-Pierre Sauvage","Photochemical or Thermal Chelate Exchange in the Ruthenium Coordination Sphere of Complexes of the Ru(phen)2L Family (L = Diimine or Dinitrile Ligands)","Inorganic Chemistry","2002","41","","1215","1222","10.1021/ic011014o","","","0.71073","Mo-Kα","","0.059","0.037","","0.847","","0.047","","","21.966","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4317708","9.0299","0.0002","13.4992","0.0002","23.3524","0.0002","90","","90","","90","","2846.57","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N6 S3 -","- C27 H39 N6 S3 -","- C108 H156 N24 S12 -","4","1","","Pinghua Ge; Arnold L. Rheingold; Charles G. Riordan","Nickel Complexes of Bidentate [S2] and [SN] Borato Ligands","Inorganic Chemistry","2002","41","","1383","1390","10.1021/ic010966r","","","0.71073","MoKα","","0.0691","0.0501","","","0.1431","0.1685","","","","","","1.231","","","","has coordinates","179257","2020-10-21","18:00:00",""
"4317781","16.084","0.003","18.376","0.003","29.149","0.006","90","","90","","90","","8615","3","296.2","","296.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84 H84 As4 Cu2 F12 P6 -","- C83.996 H79 As4 Cu2 F12 P6 -","- C335.984 H316 As16 Cu8 F48 P24 -","4","1","","Vernon C. Cook; Anthony C. Willis; Johann Zank; S. Bruce Wild","Synthesis and Resolution of (R*,R*)-(\±)-1,1,4,7,10,10-Hexaphenyl-1,10-diarsa-4,7-diphosphadecane: New Ligand for the Stereoselective Self-Assembly of Dicopper(I), Disilver(I), and Digold(I) Helicates","Inorganic Chemistry","2002","41","","1897","1906","10.1021/ic010988d","","","1.5418","CuKα","","0.0829","0.0446","","0.0593","","0.0536","","","1.485","","","1.659","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317782","16.199","0.004","18.373","0.004","29.347","0.002","90","","90","","90","","8734","3","296.2","","296.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84 H84 As4 Au2 F12 P6 -","- C83.998 H79 As4 Au2 F12 P6 -","- C335.992 H316 As16 Au8 F48 P24 -","4","1","","Vernon C. Cook; Anthony C. Willis; Johann Zank; S. Bruce Wild","Synthesis and Resolution of (R*,R*)-(\±)-1,1,4,7,10,10-Hexaphenyl-1,10-diarsa-4,7-diphosphadecane: New Ligand for the Stereoselective Self-Assembly of Dicopper(I), Disilver(I), and Digold(I) Helicates","Inorganic Chemistry","2002","41","","1897","1906","10.1021/ic010988d","","","1.5418","CuKα","","0.043","0.0346","","0.0426","","0.0413","","","1.6","","","1.666","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317790","8.585","0.002","13.791","0.002","21.196","0.002","90","","90","","90","","2509.5","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu Gd N5 O13 -","- C20 H22 Cu Gd N5 O13 -","- C80 H88 Cu4 Gd4 N20 O52 -","4","1","","Shu-An Li; Jiang Xia; De-Xi Yang; Yan Xu; Dong-Feng Li; Mei-Fang Wu; Wen-Xia Tang","Carboxyester Hydrolysis Catalyzed by a Novel Dicopper(II) Complex with an Alcohol-Pendant Macrocycle","Inorganic Chemistry","2002","41","","1807","1815","10.1021/ic011019l","","","0.71073","MoKα","","0.0524","0.0408","","0.19","0.1004","","","","1.148","1.086","1.086","","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4317791","8.601","0.003","13.786","0.002","21.148","0.002","90","","90","","90","","2507.6","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu Eu N5 O13 -","- C20 H22 Cu Eu N5 O13 -","- C80 H88 Cu4 Eu4 N20 O52 -","4","1","","Shu-An Li; Jiang Xia; De-Xi Yang; Yan Xu; Dong-Feng Li; Mei-Fang Wu; Wen-Xia Tang","Carboxyester Hydrolysis Catalyzed by a Novel Dicopper(II) Complex with an Alcohol-Pendant Macrocycle","Inorganic Chemistry","2002","41","","1807","1815","10.1021/ic011019l","","","0.71073","MoKα","","0.037","0.0302","","0.0823","0.0775","","","","1.097","1.105","1.105","","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4317792","8.619","0.005","13.8698","0.001","21.1269","0.0015","90","","90","","90","","2525.6","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu N5 O13 Pr -","- C20 H22 Cu N5 O13 Pr -","- C80 H88 Cu4 N20 O52 Pr4 -","4","1","","Shu-An Li; Jiang Xia; De-Xi Yang; Yan Xu; Dong-Feng Li; Mei-Fang Wu; Wen-Xia Tang","Carboxyester Hydrolysis Catalyzed by a Novel Dicopper(II) Complex with an Alcohol-Pendant Macrocycle","Inorganic Chemistry","2002","41","","1807","1815","10.1021/ic011019l","","","0.71073","MoKα","","0.0327","0.0266","","0.1366","0.0718","","","","1.156","1.102","1.102","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317793","8.697","0.006","13.905","0.006","21.176","0.008","90","","90","","90","","2561","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Ce Cu N5 O13 -","- C20 H22 Ce Cu N5 O13 -","- C80 H88 Ce4 Cu4 N20 O52 -","4","1","","Shu-An Li; Jiang Xia; De-Xi Yang; Yan Xu; Dong-Feng Li; Mei-Fang Wu; Wen-Xia Tang","Carboxyester Hydrolysis Catalyzed by a Novel Dicopper(II) Complex with an Alcohol-Pendant Macrocycle","Inorganic Chemistry","2002","41","","1807","1815","10.1021/ic011019l","","","0.71073","MoKα","","0.0568","0.0347","","0.1091","0.0734","","","","1.127","1.041","1.041","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317794","8.617","0.004","13.754","0.003","21.215","0.003","90","","90","","90","","2514.4","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Eu N5 Ni O13 -","- C20 H22 Eu N5 Ni O13 -","- C80 H88 Eu4 N20 Ni4 O52 -","4","1","","Shu-An Li; Jiang Xia; De-Xi Yang; Yan Xu; Dong-Feng Li; Mei-Fang Wu; Wen-Xia Tang","Carboxyester Hydrolysis Catalyzed by a Novel Dicopper(II) Complex with an Alcohol-Pendant Macrocycle","Inorganic Chemistry","2002","41","","1807","1815","10.1021/ic011019l","","","0.71073","MoKα","","0.0328","0.0277","","0.0872","0.0756","","","","1.146","1.114","1.114","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317795","8.6323","0.0012","13.822","0.002","21.176","0.003","90","","90","","90","","2526.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Ce N5 Ni O13 -","- C20 H22 Ce N5 Ni O13 -","- C80 H88 Ce4 N20 Ni4 O52 -","4","1","","Shu-An Li; Jiang Xia; De-Xi Yang; Yan Xu; Dong-Feng Li; Mei-Fang Wu; Wen-Xia Tang","Carboxyester Hydrolysis Catalyzed by a Novel Dicopper(II) Complex with an Alcohol-Pendant Macrocycle","Inorganic Chemistry","2002","41","","1807","1815","10.1021/ic011019l","","","0.71073","MoKα","","0.0292","0.025","","0.0761","0.0658","","","","1.165","1.123","1.123","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4317797","8.5602","0.0009","16.1203","0.0018","21.792","0.0019","90","","90","","90","","3007.1","0.5","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Au B Cl4 N9 O4 -","- C22 H25 Au B Cl4 N9 O4 -","- C88 H100 Au4 B4 Cl16 N36 O16 -","4","1","","José Vicente; María Teresa Chicote; Rita Guerrero; Ulrich Herber; Delia Bautista","Synthesis of Tris- and Tetrakis(pyrazol-1-yl)borate Gold(III) Complexes. Crystal Structures of [Au{κ2-N,N'-BH(Pz)3}Cl2] (pz = Pyrazol-1-yl) and [Au{κ2-N,N'-B(Pz)4}(κ2-C,N-C6H4CH2NMe2-2)]ClO4.CHCl3","Inorganic Chemistry","2002","41","","1870","1875","10.1021/ic011031d","","","0.71073","MoKα","","0.0738","0.0469","","","0.1022","0.114","","","","","","1.02","","","","has coordinates,has disorder","179257","2020-10-21","18:00:00",""
"4317864","8.839","0.002","11.655","0.002","15.626","0.003","90","","90","","90","","1609.8","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H18 Cl4 N2 O2 Pt -","- C8 H18 Cl4 N2 O2 Pt -","- C32 H72 Cl16 N8 O8 Pt4 -","4","1","","Nadezhda A. Bokach; Vadim Yu. Kukushkin; Maxim L. Kuznetsov; Dmitrii A. Garnovskii; Giovanni Natile; Armando J. L. Pombeiro","Direct Addition of Alcohols to Organonitriles Activated by Ligation to a Platinum(IV) Center","Inorganic Chemistry","2002","41","","2041","2053","10.1021/ic011025h","","","0.71073","MoKα","","0.0184","0.0184","","","0.0444","0.0444","","","","","","1.057","","","","has coordinates","179258","2020-10-21","18:00:00",""
"4318020","9.6374","0.0019","11.5216","0.0016","13.917","0.002","90","","90","","90","","1545.3","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Dimethylaminoethylselenolato-chloro-(triethylphophine)platinum(II)","","","- C10 H25 Cl N P Pt Se -","- C10 H25 Cl N P Pt Se -","- C40 H100 Cl4 N4 P4 Pt4 Se4 -","4","1","","Sandip Dey; Vimal K. Jain; Axel Knödler; Axel Klein; Wolfgang Kaim; Stanislav Záliš","Structural Basis for Unusually Long Wavelength Charge Transfer Transitions in Complexes [MCl(ECH2CH2NMe2)(PR3)] (E = Te, Se; M = Pt, Pd): Experimental Results and TD-DFT Calculations","Inorganic Chemistry","2002","41","","2864","2870","10.1021/ic011210v","","","0.71073","MoKα","","0.0557","0.0424","","","0.0986","0.1064","","","","","","0.971","","","","has coordinates","192782","2020-10-21","18:00:00",""
"4318066","6.3656","0.0002","11.6782","0.0003","16.919","0.0005","90","","90","","90","","1257.74","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O7 S Zn -","- C9 H13 N O7 S Zn -","- C36 H52 N4 O28 S4 Zn4 -","4","1","","Yong-Rong Xie; Ren-Gen Xiong; Xiang Xue; Xue-Tai Chen; Ziling Xue; Xiao-Zeng You","Two Chiral Coordination Polymers: Preparation and X-ray Structures of Mono(4-sulfo-l-phenylalanine)(diaqua) Zinc(II) and Copper(II) Complexes","Inorganic Chemistry","2002","41","","3323","3326","10.1021/ic010862g","","","0.71073","MoKα","","0.0544","0.0396","","","0.0831","0.088","","","","","","0.967","","","","has coordinates","179260","2020-10-21","18:00:00",""
"4318067","6.2058","0.0008","11.4263","0.0015","17.959","0.002","90","","90","","90","","1273.5","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 Cu N O7 S -","- C9 H9 Cu N O7 S -","- C36 H36 Cu4 N4 O28 S4 -","4","1","","Yong-Rong Xie; Ren-Gen Xiong; Xiang Xue; Xue-Tai Chen; Ziling Xue; Xiao-Zeng You","Two Chiral Coordination Polymers: Preparation and X-ray Structures of Mono(4-sulfo-l-phenylalanine)(diaqua) Zinc(II) and Copper(II) Complexes","Inorganic Chemistry","2002","41","","3323","3326","10.1021/ic010862g","","","0.71073","MoKα","","0.0443","0.0375","","","0.0831","0.0853","","","","","","0.919","","","","has coordinates","179260","2020-10-21","18:00:00",""
"4318089","11.5396","0.0001","20.2593","0.0001","20.4265","0.0001","90","","90","","90","","4775.39","0.05","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 F6 O11 P2 Ru S5 -","- C38 H48 F6 O11 P2 Ru S5 -","- C152 H192 F24 O44 P8 Ru4 S20 -","4","1","","Matthew D. Hargreaves; Mary F. Mahon; Michael K. Whittlesey","Substitution Reactions of [Ru(dppe)(CO)(H2O)3][OTf]2","Inorganic Chemistry","2002","41","","3137","3145","10.1021/ic020029z","","","0.7107","MoKα","","0.035","0.0339","","","0.0739","0.0743","","","","","","1.105","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59",""
"4318131","10.935","0.002","15.883","0.001","25.52","0.003","90","0.006","90","0.009","90","0.008","4432.3","1","168","2","168","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[FeCl(depe)2]BPh4","","","- C44 H68 B Cl Fe P4 -","- C44 H68 B Cl Fe P4 -","- C176 H272 B4 Cl4 Fe4 P16 -","4","1","","Oliver Franke; Beatrix E. Wiesler; Nicolai Lehnert; Christian Näther; Vadim Ksenofontov; Jörg Neuhausen; Felix Tuczek","Five-Coordinate Complexes [FeX(depe)2]BPh4, X = Cl, Br: Electronic Structure and Spin-Forbidden Reaction with N2","Inorganic Chemistry","2002","41","","3491","3499","10.1021/ic0111987","","","0.71073","MoKα","","0.0388","0.0309","","0.0716","0.07","","","","0.94","1.006","1.006","","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4318138","13.376","0.003","14.877","0.006","8.5667","0.0017","90","","90","","90","","1704.7","0.9","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 B9 Co N S -","- C10 H23 B9 Co N S -","- C40 H92 B36 Co4 N4 S4 -","4","1","","Jordi Llop; Clara Viñas; Francesc Teixidor; Lluís Victori; Raikko Kivekäs; Reijo Sillanpää","Redox Potential Modulation in Mixed Sandwich Pyrrolyl/ Dicarbollide Complexes","Inorganic Chemistry","2002","41","","3347","3352","10.1021/ic011285z","","","0.71069","MoKα","","0.0796","0.0476","","","0.0991","0.1147","","","","","","1.088","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4318165","8.207","0.0002","17.2306","0.0003","20.811","0.0005","90","","90","","90","","2942.92","0.11","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","[{Zr(PhBO2)(C5H5)2}2]","","","- C32 H30 B2 O4 Zr2 -","- C32 H30 B2 O4 Zr2 -","- C128 H120 B8 O16 Zr8 -","4","1","","Jessica E. Balkwill; Sarah C. Cole; Martyn P. Coles; Peter B. Hitchcock","Bimetallic Zirconium Heterocycles Supported by Boron-Oxygen Ligands","Inorganic Chemistry","2002","41","","3548","3552","10.1021/ic0200848","","x-ray","0.71073","MoKα","","0.0351","0.0325","","","0.0849","0.0867","","","","","","1.08","","","","has coordinates,has disorder","179261","2020-10-21","18:00:00",""
"4318174","12.661","0.005","16.017","0.004","20.078","0.007","90","","90","","90","","4072","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","(Dipyridophenazine)(tris(3-phenylpyrazolyl)borate)copper(II) perchlorate","","","- C45 H32 B Cl Cu N10 O4 -","- C45 H32 B Cl Cu N10 O4 -","- C180 H128 B4 Cl4 Cu4 N40 O16 -","4","1","","Shanta Dhar; Pattubala A. N. Reddy; Munirathinam Nethaji; Subramony Mahadevan; Manas K. Saha; Akhil R. Chakravarty","Effect of Steric Encumbrance of Tris(3-phenylpyrazolyl)borate on the Structure and Properties of Ternary Copper(II) Complexes Having N,N-Donor Heterocyclic Bases","Inorganic Chemistry","2002","41","","3469","3476","10.1021/ic0201396","","","0.71073","MoKα","","0.062","0.0402","","","0.0962","0.1071","","","","","","1.036","","","","has coordinates","179261","2020-10-21","18:00:00",""
"4318254","11.413","0.003","12.072","0.003","32.62","0.011","90","","90","","90","","4494","2","160","2","160","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H70 Mg N2 O P2 Si4 -","- C36 H70 Mg N2 O P2 Si4 -","- C144 H280 Mg4 N8 O4 P8 Si16 -","4","1","","Stuart Blair; Keith Izod; William Clegg","A Homologous Series of Alkaline Earth Phosphanides: Syntheses, Crystal Structures, and Unusual Dynamic Behavior of (THF)nM[P{CH(SiMe3)2}(C6H4-2-CH2NMe2)]2 (M = Mg, Ca, Sr, Ba)","Inorganic Chemistry","2002","41","","3886","3893","10.1021/ic0201194","","","0.71073","MoKα","","0.0629","0.0411","","","0.0903","0.0988","","","","","","1.04","","","","has coordinates","179262","2020-10-21","18:00:00",""
"4318304","14.76","0.0005","17.1675","0.0005","19.8654","0.0005","90","","90","","90","","5033.7","0.3","213.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H64 B5 O10 P4 Rh -","- C40 H64 B5 O10 P4 Rh -","- C160 H256 B20 O40 P16 Rh4 -","4","1","","Yasushi Nishihara; Kyoko Nara; Kohtaro Osakada","Tetraarylpentaborates, [B5O6Ar4]- (Ar = C6H4OMe-4, C6H3Me2-2,6): Their Formation from the Reaction of Arylboronic Acids with an Aryloxorhodium Complex, Structure, and Chemical Properties","Inorganic Chemistry","2002","41","","4090","4092","10.1021/ic015630w","","","0.7107","MoK?a","","","0.0559","","","","0.0753","","","","","","1.691","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318314","9.9732","0.0005","17.1315","0.0002","37.4953","0.0005","90","","90","","90","","6406.3","0.3","293.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H65 Cl11 N6 O14 Zn3 -","- C50 Cl11 N6 O14 Zn3 -","- C200 Cl44 N24 O56 Zn12 -","4","1","","Srinivas R. Korupoju; Nagarathinam Mangayarkarasi; Panthapally S. Zacharias; Jun Mizuthani; Hiroshi Nishihara","Synthesis, Structure, and DNA Cleavage Activity of New Trinuclear Zn3 and Zn2Cu Complexes of a Chiral Macrocycle: Structural Correlation with the Active Center of P1 Nuclease","Inorganic Chemistry","2002","41","","4099","4101","10.1021/ic0201102","","","0.7107","MoKα","","","0.059","","","","0.16","","","","","","1.577","","","","has coordinates","179263","2020-10-21","18:00:00",""
"4318316","9.9294","0.0002","17.1354","0.0006","37.6763","0.0011","90","","90","","90","","6410.4","0.3","173.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H65 Cl11 Cu N6 O14 Zn2 -","- C50 Cl11 Cu N6 O14 Zn2 -","- C200 Cl44 Cu4 N24 O56 Zn8 -","4","1","","Srinivas R. Korupoju; Nagarathinam Mangayarkarasi; Panthapally S. Zacharias; Jun Mizuthani; Hiroshi Nishihara","Synthesis, Structure, and DNA Cleavage Activity of New Trinuclear Zn3 and Zn2Cu Complexes of a Chiral Macrocycle: Structural Correlation with the Active Center of P1 Nuclease","Inorganic Chemistry","2002","41","","4099","4101","10.1021/ic0201102","","","0.7107","MoKα","","","0.086","","","","0.206","","","","","","1.854","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318323","6.3632","0.0002","12.4155","0.0005","14.2292","0.0006","90","0.005","90","0.005","90","0.005","1124.14","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H2 Hg3.87 O10.77 P2 V -","- Hg3.8681 O10.773 P2 V -","- Hg15.4724 O43.092 P8 V4 -","4","1","","E. Le Fur; R. Gautier; E. Furet; J. Y. Pivan","New Mercury Vanadium Phosphate Hydrate Hg4-xO1-y(VO)(PO4)2.H2O with Unprecedented Tetrahedral Oxo-Cluster [Hg~4O~5]","Inorganic Chemistry","2002","41","","4227","4231","10.1021/ic020229a","","","0.71073","MoKα","","0.0607","0.0398","","","0.0561","0.0587","","","","","","1.298","","","","has coordinates","179263","2020-10-21","18:00:00",""
"4318376","8.3198","0.0001","13.3224","0.0002","18.0415","0.0002","90","","90","","90","","1999.71","0.04","173","1","173","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl2 N2 O2 W -","- C18 H24 Cl2 N2 O2 W -","- C72 H96 Cl8 N8 O8 W4 -","4","1","","Fritz E. Kühn; Wen-Mei Xue; Ahmad Al-Ajlouni; Ana M. Santos; Shuliang Zang; Carlos C. Romão; Georg Eickerling; Eberhardt Herdtweck","Synthesis and Catalytic Application of Octahedral Lewis Base Adducts of Dichloro and Dialkyl Dioxotungsten(VI)","Inorganic Chemistry","2002","41","","4468","4477","10.1021/ic0200085","","","0.71073","MoKα","","0.0268","0.0265","","","0.0598","0.06","","","","","","1.069","","","","has coordinates","179263","2020-10-21","18:00:00",""
"4318383","12.445","0.004","20.437","0.005","11.144","0.003","90","","90","","90","","2834.3","1.4","296.2","","296.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O4 P Rh S2 Ti -","- C23 H38 O4 P Rh S2 Ti -","- C92 H152 O16 P4 Rh4 S8 Ti4 -","4","1","","Shigeki Kuwata; Tatsuya Nagano; Akihiro Matsubayashi; Youichi Ishii; Masanobu Hidai","Sulfur-Bridged Early-Late Heterobimetallics Synthesized by Incorporation of Titanium, Vanadium, and Molybdenum into Bis(hydrosulfido) Templates of Group 9 Metals","Inorganic Chemistry","2002","41","","4324","4330","10.1021/ic020105y","","","0.7107","MoKα","","0.0476","0.0476","","","0.0467","0.0467","","","","","","1.665","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318413","11.43","0.004","11.71","0.004","19.882","0.006","90","","90","","90","","2661.1","1.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 Cl Co N6 O6 -","- C23 H34 Cl Co N6 O6 -","- C92 H136 Cl4 Co4 N24 O24 -","4","1","","Renata Dreos; Alessandro Felluga; Giorgio Nardin; Lucio Randaccio; Mauro Sandri; Giovanni Tauzher","New Alkyl-Cobalt(III) Complexes Containing Chiral Centers in the Chelating System","Inorganic Chemistry","2002","41","","4548","4554","10.1021/ic025534a","","","0.71073","MoKα","","0.095","0.0757","","","0.1907","0.217","","","","","","1.035","","","","has coordinates","179264","2020-10-21","18:00:00",""
"4318550","13.911","0.001","18.1","0.002","9.7552","0.0009","90","","90","","90","","2456.3","0.4","298.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 I N5 O -","- C25 H27 I N5 O -","- C100 H108 I4 N20 O4 -","4","1","","K. Mukai; T. Hatanaka; N. Senba; T. Nakayashiki; Y. Misaki; K. Tanaka; K. Ueda; T. Sugimoto; N. Azuma","Magnetic Semiconductor: Structural, Magnetic, and Conducting Properties of the Salts of the 6-Oxoverdazyl Radical Cation with M(dmit)2 Anions (M = Ni, Zn, Pd, and Pt, dmit = 1,3-dithiol-2-thione-4,5-dithiolate)","Inorganic Chemistry","2002","41","","5066","5074","10.1021/ic020212s","","","1.5418","CuKα","","","0.0403","","","","0.1193","","","","","","0.901","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318752","11.222","0.002","15.089","0.003","18.763","0.004","90","","90","","90","","3177.1","1.1","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl3 N2 P2 Tc -","- C34 H28 Cl3 N2 P2 Tc -","- C136 H112 Cl12 N8 P8 Tc4 -","4","1","","Evan Freiberg; William M. Davis; Terrence Nicholson; Alan Davison; Alun G. Jones","Reduction of the Pertechnetate Anion with Bidentate Phosphine Ligands","Inorganic Chemistry","2002","41","","5667","5674","10.1021/ic020032i","","","0.71073","MoKα","","0.0412","0.0397","","","0.0792","0.0797","","","","","","1.264","","","","has coordinates","179267","2020-10-21","18:00:00",""
"4318768","8.4891","0.0005","15.2677","0.0009","19.067","0.001","90","","90","","90","","2471.3","0.2","173.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 Cl5 Cr N3 O9 -","- C15 H21 Cl5 Cr N3 O9 -","- C60 H84 Cl20 Cr4 N12 O36 -","4","1","","Kazushi Shiren; Koji Tanaka","Acid-Base Equilibrium of Aqua-Chromium-Dioxolene Complexes Aimed at Formation of Oxo-Chromium Complexes","Inorganic Chemistry","2002","41","","5912","5919","10.1021/ic020308m","","","0.7107","MoKα","","","0.0311","","","","0.0802","","","","","","1.623","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318809","12.6947","0.0002","17.2161","0.0003","37.8877","0.0005","90","0.0001","90","0.0001","90","0.0001","8280.5","0.2","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C88 H112 Li2 N4 O12 P4 Pt -","- C88 H112 Li2 N4 O12 P4 Pt -","- C352 H448 Li8 N16 O48 P16 Pt4 -","4","1","","Cornelia Tirla; Nicolas Mézailles; Louis Ricard; François Mathey; Pascal Le Floch","Dianionic Platinadiphospholene Complexes","Inorganic Chemistry","2002","41","","6032","6037","10.1021/ic020103d","","","0.71069","MoKα","","0.055","0.0431","","","0.0829","0.0866","","","","","","1.01","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4318832","7.382","0.005","7.44","0.006","30.75","0.02","90","","90","","90","","1689","2","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H9 N O6 P2 Pb -","- C3 H9 N O6 P2 Pb -","- C24 H72 N8 O48 P16 Pb8 -","8","2","","Jiang-Gao Mao; Zhike Wang; Abraham Clearfield","New Lead Inorganic-Organic Hybrid Microporous and Layered Materials: Synthesis, Properties, and Crystal Structures","Inorganic Chemistry","2002","41","","6106","6111","10.1021/ic020396a","","","0.71073","MoKα","","0.0328","0.0298","","","0.0638","0.0646","","","","","","1.049","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4318894","6.8528","0.0006","10.0584","0.0009","17.3064","0.0015","90","","90","","90","","1192.9","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 Mn2 O7 S2 -","- C7 Mn2 O7 S2 -","- C28 Mn8 O28 S8 -","4","1","","Richard D. Adams; O-Sung Kwon; Mark D. Smith","Disulfides of Manganese Carbonyl. Synthesis of Mn2(CO)7(μ-S2) and Its Reactions with Tertiary Phosphines and Arsines","Inorganic Chemistry","2002","41","","6281","6290","10.1021/ic0203670","","","0.71073","MoKα","","0.027","0.0257","","","0.0601","0.0606","","","","","","1.002","","","","has coordinates","179268","2020-10-21","18:00:00",""
"4319193","10.043","0.002","20.633","0.002","9.73","0.002","90","","90","","90","","2016.2","0.6","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N2 O4 S -","- C17 H30 N2 O4 S -","- C68 H120 N8 O16 S4 -","4","1","","Akira Onoda; Yusuke Yamada; Mototsugu Doi; Taka-aki Okamura; Norikazu Ueyama","Dinuclear Calcium Complex with Weakly NH...O Hydrogen-Bonded Sulfonate Ligands","Inorganic Chemistry","2001","40","","516","521","10.1021/ic0003067","","","0.7107","MoKα","","","0.0671","","","","0.0714","","","","","","2.462","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4319280","7.541","0.003","9.58","0.004","23.817","0.009","90","","90","","90","","1720.6","1.2","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O -","- C20 H25 N O -","- C80 H100 N4 O4 -","4","1","","Donald J. Darensbourg; Patrick Rainey; Jason Yarbrough","Bis-Salicylaldiminato Complexes of Zinc. Examination of the Catalyzed Epoxide/CO2 Copolymerization","Inorganic Chemistry","2001","40","","986","993","10.1021/ic0006403","","","0.71073","MoKα","","0.0513","0.0491","","","0.1297","0.1331","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4319281","5.0563","0.0006","12.8168","0.0015","22.753","0.003","90","","90","","90","","1474.5","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 F6 N O -","- C16 H11 F6 N O -","- C64 H44 F24 N4 O4 -","4","1","","Donald J. Darensbourg; Patrick Rainey; Jason Yarbrough","Bis-Salicylaldiminato Complexes of Zinc. Examination of the Catalyzed Epoxide/CO2 Copolymerization","Inorganic Chemistry","2001","40","","986","993","10.1021/ic0006403","","","0.71073","MoKα","","0.072","0.0357","","","0.0908","0.103","","","","","","0.84","","","","has coordinates,has disorder","179272","2020-10-21","18:00:00",""
"4319432","7.5214","0.0001","12.0922","0.0003","14.346","0.0004","90","","90","","90","","1304.77","0.05","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H21 Mo N3 O4 -","- C9 H21 Mo N3 O4 -","- C36 H84 Mo4 N12 O16 -","4","1","","Patrick C. McGowan; Thomas J. Podesta; Mark Thornton-Pett","N-Monofunctionalized 1,4,7-Triazacyclononane Macrocycles as Building Blocks in Inorganic Crystal Engineering","Inorganic Chemistry","2001","40","","1445","1453","10.1021/ic0006854","","","0.71073","MoKα","","0.0209","0.0207","","","0.0557","0.0559","","","","","","1.055","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319434","7.4714","0.0002","12.5388","0.0003","13.0858","0.0003","90","","90","","90","","1225.91","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H21 Mo N3 O5 -","- C8 H21 Mo N3 O5 -","- C32 H84 Mo4 N12 O20 -","4","1","","Patrick C. McGowan; Thomas J. Podesta; Mark Thornton-Pett","N-Monofunctionalized 1,4,7-Triazacyclononane Macrocycles as Building Blocks in Inorganic Crystal Engineering","Inorganic Chemistry","2001","40","","1445","1453","10.1021/ic0006854","","","0.71073","MoKα","","0.0259","0.0258","","","0.07","0.0701","","","","","","1.119","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319435","7.5207","0.0002","11.2913","0.0002","17.2166","0.0005","90","","90","","90","","1462.01","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 Mo N3 O5 -","- C10 H21 Mo N3 O5 -","- C40 H84 Mo4 N12 O20 -","4","1","","Patrick C. McGowan; Thomas J. Podesta; Mark Thornton-Pett","N-Monofunctionalized 1,4,7-Triazacyclononane Macrocycles as Building Blocks in Inorganic Crystal Engineering","Inorganic Chemistry","2001","40","","1445","1453","10.1021/ic0006854","","","0.71069","MoKα","","0.0331","0.0323","","","0.0855","0.0864","","","","","","1.023","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319458","8.6833","0.0002","10.4612","0.0002","21.0386","0.0003","90","","90","","90","","1911.1","0.06","294","2","294","2","","","","","","","see text","7","P 21 21 21","P 2ac 2ab","19","","dichloro[N,N-bis(1-propan-2-only oxime)-L-methionine N'-methylamide] zinc(II)","","- C12 H24 Cl2 N4 O3 S Zn -","- C12 H24 Cl2 N4 O3 S Zn -","- C48 H96 Cl8 N16 O12 S4 Zn4 -","4","1","","Dell T. Rosa; Jeanette A. Krause Bauer; Michael J. Baldwin","Structural and Spectroscopic Studies of the Versatile Coordination Chemistry of the Chiral Ligand N,N-Bis(1-propan-2-onyl oxime)-l-methionine N'-Methylamide with Ni^II^ and Zn^II^","Inorganic Chemistry","2001","40","","1606","1613","10.1021/ic000971f","","","0.71073","MoKα","","0.0402","0.0314","","","0.0676","0.0711","","","","","","1.049","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319461","10.249","0.0003","21.7275","0.0005","24.6524","0.0007","90","","90","","90","","5489.7","0.3","188","2","188","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Fe2(OH)(BPMAN)(PhCyCOO)](OTf)2","","","- C50 H50 Cl2 F6 Fe2 N8 O9 S2 -","- C50 H47 Cl2 F6 Fe2 N8 O9 S2 -","- C200 H188 Cl8 F24 Fe8 N32 O36 S8 -","4","1","","Chuan He; Stephen J. Lippard","Synthesis and Electrochemical Studies of Diiron Complexes of 1,8-Naphthyridine-Based Dinucleating Ligands to Model Features of the Active Sites of Non-Heme Diiron Enzymes","Inorganic Chemistry","2001","40","","1414","1420","10.1021/ic000975k","","","0.71073","MoKα","","0.0942","0.0769","","","0.2038","0.2123","","","","","","1.538","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319467","13.9593","0.0003","17.2","0.0002","20.8587","0.0005","90","","90","","90","","5008.17","0.17","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(MePh3P)(Mn(dca)3)","methyltriphenylphosphonium manganese(II) tris(dicyanamide)","","- C25 H18 Mn N9 P -","- C25 H18 Mn N9 P -","- C200 H144 Mn8 N72 P8 -","8","2","","Patricia M. van der Werff; Stuart R. Batten; Paul Jensen; Boujemaa Moubaraki; Keith S. Murray","Cation Templation of Anionic Metal Dicyanamide Networks","Inorganic Chemistry","2001","40","","1718","1722","10.1021/ic000978x","","","0.71073","MoKα","","0.102","0.0509","","","0.0759","0.0866","","","","","","1.018","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319478","14.181","0.002","18.883","0.004","19.008","0.004","90","","90","","90","","5090","1.7","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Fe(II)Fe(III)(BMDP)(O2CPh)3](BF4)","","","- C52 H50 B F4 Fe2 N8 O7 -","- C52 H50 B F4 Fe2 N8 O7 -","- C208 H200 B4 F16 Fe8 N32 O28 -","4","1","","Joe H. Satcher,; Michael W. Droege; Marilyn M. Olmstead; Alan L. Balch","A Mixed Oxidation State, Binuclear Iron Complex Containing an Unsymmetrically Coordinating Ligand. A Ligand-Induced Switch in Redox Behavior","Inorganic Chemistry","2001","40","","1454","1458","10.1021/ic9913177","","","1.54178","CuKα","","0.1515","0.0913","","","0.2221","0.2699","","","","","","1.032","","","","has coordinates","179274","2020-10-21","18:00:00",""
"4319530","9.866","0.002","15.962","0.003","16.223","0.003","90","","90","","90","","2554.8","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 N2 O4 Ti -","- C30 H23 N2 O4 Ti -","- C120 H92 N8 O16 Ti4 -","4","1","","Joseph M. Tanski; Peter T. Wolczanski","Covalent Titanium Aryldioxy One-, Two-, and Three-Dimensional Networks and Their Examination as Ziegler-Natta Catalysts","Inorganic Chemistry","2001","40","","2026","2033","10.1021/ic000763n","","","0.71073","MoKα","","0.2363","0.093","","0.3071","0.18","","","","1.167","1.236","1.236","","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319532","19.0881","0.0003","21.4435","0.0003","26.0799","0.0001","90","","90","","90","","10674.9","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H144 N4 O40 Si W12 -","- C62 N4 O40 Si W12 -","- C248 N16 O160 Si4 W48 -","4","1","","André Tézé; Emmanuel Cadot; Virginie Béreau; Gilbert Hervé","About the Keggin Isomers: Crystal Structure of [N(C4H9)4]4-γ-[SiW12O40], the γ-Isomer of the Keggin Ion. Synthesis and 183W NMR Characterization of the Mixed γ-[SiMo2W10O40]n- (n = 4 or 6)","Inorganic Chemistry","2001","40","","2000","2004","10.1021/ic000864l","","","0.71073","MoKα","","0.1293","0.0591","","0.1449","0.1162","","","","0.974","1.033","1.033","","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319560","9.832","0.002","11.565","0.002","15.177","0.003","90","","90","","90","","1725.7","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[di(pyrrolyl-alpha-methyl)methylamine]Bis(dimethylamido)titanium(IV)","","- C15 H25 N5 Ti -","- C15 H25 N5 Ti -","- C60 H100 N20 Ti4 -","4","1","","Shannon A. Harris; James T. Ciszewski; Aaron L. Odom","Titanium η1-Pyrrolyl Complexes: Electronic and Structural Characteristics Imposed by the N,N-Di(pyrrolyl-α-methyl)-N-methylamine (dpma) Ligand","Inorganic Chemistry","2001","40","","1987","1988","10.1021/ic001238r","","","0.71073","MoKα","","0.092","0.0524","","","0.1297","0.1465","","","","","","1.016","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4319577","8.7099","0.0002","10.9708","0.0002","22.1656","0.0003","90","","90","","90","","2118.02","0.07","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cu N6 O3 S2 -","- C21 H17 Cu N6 O3 S2 -","- C84 H68 Cu4 N24 O12 S8 -","4","1","","Ramalingam Balamurugan; Mallayan Palaniandavar; R. Srinivasa Gopalan","Trigonal Planar Copper(I) Complex: Synthesis, Structure, and Spectra of a Redox Pair of Novel Copper(II/I) Complexes of Tridentate Bis(benzimidazol-2'-yl) Ligand Framework as Models for Electron-Transfer Copper Proteins","Inorganic Chemistry","2001","40","","2246","2255","10.1021/ic0003372","","","0.71073","MoKα","","0.0321","0.0289","","0.085","0.0833","","","","1.081","1.098","1.098","","","","","has coordinates","179275","2020-10-21","18:00:00",""
"4319601","10.1453","0.0004","13.9663","0.0006","14.5922","0.0006","90","","90","","90","","2067.6","0.15","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H32 Cl2 N4 Ni O8 -","- C15 H32 Cl2 N4 Ni O8 -","- C60 H128 Cl8 N16 Ni4 O32 -","4","1","","Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg","Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane","Inorganic Chemistry","2001","40","","2323","2334","10.1021/ic0011157","","","0.71073","MoKα","","0.0546","0.0362","","0.0698","0.0648","","","","1.015","1.048","1.048","","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4319619","9.8136","0.0009","14.2241","0.0012","21.7074","0.0019","90","","90","","90","","3030.1","0.5","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-","Di(2-picolyl)(2-hydroxylato-3,5-di-tert-butyl-","","- C33 H38 N4 O4 Zn -","- C33 H38 N4 O4 Zn -","- C132 H152 N16 O16 Zn4 -","4","1","","Alexander Trösch; Heinrich Vahrenkamp","A Sterically Hindered N,N,O Tripod Ligand and Its Zinc Complex Chemistry","Inorganic Chemistry","2001","40","","2305","2311","10.1021/ic001204j","","","0.71073","MoKα","","0.0393","0.0292","","","0.0508","0.0523","","","","","","0.803","","","","has coordinates","179276","2020-10-21","18:00:00",""
"4319649","13.884","0.007","21.485","0.004","13.404","0.007","90","","90","","90","","3998","3","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H61 B9 N O P -","- C36 H61 B9 N O P -","- C144 H244 B36 N4 O4 P4 -","4","1","","Francesc Teixidor; Rosario Núñez; Clara Viñas; Reijo Sillanpää; Raikko Kivekäs","Contribution of the nido-[7,8-C~2~B~9~H~10~]^-^ Anion to the Chemical Stability, Basicity, and ^31^P NMR Chemical Shift in nido-o-Carboranylmonophosphines","Inorganic Chemistry","2001","40","","2587","2594","10.1021/ic000858p","","","0.71069","MoKα","","0.2505","0.0752","","","0.1478","0.1987","","","","","","0.967","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00",""
"4319651","18.5409","0.0004","28.0697","0.0006","30.2282","0.0007","90","","90","","90","","15731.9","0.6","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C154.78 H124.85 N2 Ni4 O24.28 P6 Pd16 -","- C154.85 H125 N2 Ni4 O24.3 P6 Pd16 -","- C619.4 H500 N8 Ni16 O97.2 P24 Pd64 -","4","1","","Masaki Kawano; Jeffrey W. Bacon; Charles F. Campana; Brian E. Winger; James D. Dudek; Scott A. Sirchio; Sabrina L. Scruggs; Urs Geiser; Lawrence F. Dahl","High-Nuclearity Close-Packed Palladium-Nickel Carbonyl Phosphine Clusters: Heteropalladium [Pd16Ni4(CO)22(PPh3)4]2- and [Pd33Ni9(CO)41(PPh3)6]4- Containing Pseudo-Tdccp Pd16Ni4 and Pseudo-D3 hhcp Pd33Ni9 Cores","Inorganic Chemistry","2001","40","","2554","2569","10.1021/ic000979p","","","0.71073","MoKα","","0.0742","0.0632","","0.1498","0.1406","","","","1.102","1.103","1.103","","","","","has coordinates,has disorder","179276","2020-10-21","18:00:00",""
"4319675","14.206","0.001","22.69","0.003","12.168","0.002","90","","90","","90","","3922.2","0.9","293.2","","293.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Mn N12 O7 -","- C37 H40 Mn N12 O7 -","- C148 H160 Mn4 N48 O28 -","4","1","","Shigeyuki Nagasato; Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Masaaki Kojima","Correlation among Crystal Shape, Absolute Configuration, and Circular Dichroism Spectrum of Enantiomorphs of Tris[2-(((2-phenylimidazol-4-yl)methylidene)amino)ethyl]- aminemetal(II) Nitrate-Methanol (1/1)","Inorganic Chemistry","2001","40","","2534","2540","10.1021/ic001254o","","","0.7107","MoKα","","0.0467","0.047","","0.03","","0.03","","","2.853","","","2.85","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4319676","14.221","0.002","22.553","0.002","12.064","0.002","90","","90","","90","","3869.2","0.9","293.2","","293.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Fe N12 O7 -","- C37 H40 Fe N12 O7 -","- C148 H160 Fe4 N48 O28 -","4","1","","Shigeyuki Nagasato; Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Masaaki Kojima","Correlation among Crystal Shape, Absolute Configuration, and Circular Dichroism Spectrum of Enantiomorphs of Tris[2-(((2-phenylimidazol-4-yl)methylidene)amino)ethyl]- aminemetal(II) Nitrate-Methanol (1/1)","Inorganic Chemistry","2001","40","","2534","2540","10.1021/ic001254o","","","0.7107","MoKα","","0.0818","0.082","","0.062","","0.062","","","5.5","","","5.5","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4319677","14.228","0.006","22.514","0.006","12.015","0.009","90","","90","","90","","3849","3","293.2","","293.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Co N12 O7 -","- C37 H40 Co N12 O7 -","- C148 H160 Co4 N48 O28 -","4","1","","Shigeyuki Nagasato; Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Masaaki Kojima","Correlation among Crystal Shape, Absolute Configuration, and Circular Dichroism Spectrum of Enantiomorphs of Tris[2-(((2-phenylimidazol-4-yl)methylidene)amino)ethyl]- aminemetal(II) Nitrate-Methanol (1/1)","Inorganic Chemistry","2001","40","","2534","2540","10.1021/ic001254o","","","0.7107","MoKα","","0.0408","0.041","","0.026","","0.026","","","1.846","","","1.85","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4319679","14.233","0.002","22.512","0.003","12.049","0.004","90","","90","","90","","3860.7","1.5","293.2","","293.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 N12 O7 Zn -","- C37 H40 N12 O7 Zn -","- C148 H160 N48 O28 Zn4 -","4","1","","Shigeyuki Nagasato; Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Masaaki Kojima","Correlation among Crystal Shape, Absolute Configuration, and Circular Dichroism Spectrum of Enantiomorphs of Tris[2-(((2-phenylimidazol-4-yl)methylidene)amino)ethyl]- aminemetal(II) Nitrate-Methanol (1/1)","Inorganic Chemistry","2001","40","","2534","2540","10.1021/ic001254o","","","0.7107","MoKα","","0.0482","0.048","","0.054","","0.054","","","1.143","","","1.14","","","","has coordinates","193981","2020-10-21","18:00:00",""
"4319969","9.589","0.004","16.99","0.006","19.844","0.009","90","","90","","90","","3233","2","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 Cl Li N2 O S Ti -","- C32 H40 Cl Li N2 O S Ti -","- C128 H160 Cl4 Li4 N8 O4 S4 Ti4 -","4","1","","Eva Witt; Douglas W. Stephan","Synthesis and Characterization of Cyclopentadienyl Titanium(Aryloxide)Sulfide Complexes","Inorganic Chemistry","2001","40","","3824","3826","10.1021/ic001139d","","","0.71073","MoKα","","0.1509","0.0645","","0.1731","0.134","","","","0.81","0.905","0.905","","","","","has coordinates","179279","2020-10-21","18:00:00",""
"4320000","12.072","0.003","25.292","0.005","7.377","0.005","90","","90","","90","","2252.4","1.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 O6 S2 -","- C23 H20 N2 O6 S2 -","- C92 H80 N8 O24 S8 -","4","1","","Francesc Teixidor; Pilar Anglès; Clara Viñas; Raikko Kivekäs; Reijo Sillanpää","Comparative Study of NS~2~(S-aryl) Pyridine-Based Dithia-Containing Ligands with Different Substituent Groups. Reactivity toward Cu(II) and Ru(II)","Inorganic Chemistry","2001","40","","4010","4015","10.1021/ic000903t","","","0.71069","MoKα","","0.0641","0.037","","","0.0796","0.0881","","","","","","1.021","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4320005","10.7075","0.0002","15.1073","0.0004","23.9746","0.0008","90","","90","","90","","3878.17","0.18","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H100 Mo4 N4 O3 S13 -","- C60 H100 Mo4 N4 O3 S13 -","- C120 H200 Mo8 N8 O6 S26 -","2","0.5","","Rémi Dessapt; Corine Simonnet-Jégat; Jérôme Marrot; Francis Sécheresse","Addition of Diphenylacetylene to [Mo(O~2~)(S~2~)]^2-^ in NH~3~-CH~3~OH Medium","Inorganic Chemistry","2001","40","","4072","4074","10.1021/ic001150d","","","0.71073","MoKα","","0.1835","0.0849","","","0.1473","0.1824","","","","","","1.021","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4320006","10.66","0.005","14.99","0.004","18.662","0.003","90","","90","","90","","2982.1","1.7","298","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 Cl N5 O5 Os -","- C33 H25 Cl N5 O5 Os -","- C132 H100 Cl4 N20 O20 Os4 -","4","1","","Anindya Das; Falguni Basuli; Larry R. Falvello; Samaresh Bhattacharya","Unusual Transformation of N-Arylbenzohydroxamic Acids Mediated by Osmium. Formation of Organometallic Complexes of Osmium(III)","Inorganic Chemistry","2001","40","","4085","4088","10.1021/ic0012569","","","0.71073","MoKα","","0.0922","0.0558","","","0.1253","0.1426","","","","","","1.032","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4320008","6.203","0.0005","10.2329","0.0008","12.2885","0.0009","90","","90","","90","","780.01","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cl2 N2 -","- C4 H12 Cl2 N2 -","- C16 H48 Cl8 N8 -","4","1","","Aibing Xia; Paul R. Sharp","Platinum(II) Hydrazido Complexes","Inorganic Chemistry","2001","40","","4016","4021","10.1021/ic001432d","","","0.71073","MoKα","","0.0583","0.0472","","","0.1186","0.1249","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320058","12.9544","0.0008","17.7004","0.0012","23.295","0.002","90","","90","","90","","5341.5","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H75 Cr N3 O3 -","- C60 H75 Cr N3 O3 -","- C240 H300 Cr4 N12 O12 -","4","1","","Hyungphil Chun; Claudio Nazari Verani; Phalguni Chaudhuri; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Octahedral o-Aminophenolato and o-Iminobenzosemiquinonato Complexes of V(V), Cr(III), Fe(III), and Co(III). Experimental Determination of Oxidation Levels of Ligands and Metal Ions","Inorganic Chemistry","2001","40","","4157","4166","10.1021/ic010106a","","","0.71073","MoKα","","0.0621","0.0472","","0.1136","0.1035","","","","1.044","1.072","1.072","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320059","12.9898","0.0014","17.483","0.002","23.634","0.003","90","","90","","90","","5367.3","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H75 Fe N3 O3 -","- C60 H75 Fe N3 O3 -","- C240 H300 Fe4 N12 O12 -","4","1","","Hyungphil Chun; Claudio Nazari Verani; Phalguni Chaudhuri; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Octahedral o-Aminophenolato and o-Iminobenzosemiquinonato Complexes of V(V), Cr(III), Fe(III), and Co(III). Experimental Determination of Oxidation Levels of Ligands and Metal Ions","Inorganic Chemistry","2001","40","","4157","4166","10.1021/ic010106a","","","0.71073","MoKα","","0.0981","0.0518","","0.0963","0.0844","","","","0.988","1.085","1.085","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320060","12.9697","0.0009","17.748","0.002","23.101","0.002","90","","90","","90","","5317.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H75 N3 O3 V -","- C60 H75 N3 O3 V -","- C240 H300 N12 O12 V4 -","4","1","","Hyungphil Chun; Claudio Nazari Verani; Phalguni Chaudhuri; Eberhard Bothe; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt","Molecular and Electronic Structure of Octahedral o-Aminophenolato and o-Iminobenzosemiquinonato Complexes of V(V), Cr(III), Fe(III), and Co(III). Experimental Determination of Oxidation Levels of Ligands and Metal Ions","Inorganic Chemistry","2001","40","","4157","4166","10.1021/ic010106a","","","0.71073","MoKα","","0.0916","0.0699","","0.159","0.1467","","","","1.037","1.078","1.078","","","","","has coordinates,has disorder","179303","2020-10-21","18:00:00",""
"4320104","12.9902","0.0002","14.8748","0.0003","21.4937","0.0004","90","","90","","90","","4153.16","0.13","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 B Cu P2 S2 -","- C44 H48 B Cu P2 S2 -","- C176 H192 B4 Cu4 P8 S8 -","4","1","","Carl Ohrenberg; Louise M. Liable-Sands; Arnold L. Rheingold; Charles G. Riordan","Structural Diversity in a Family of Copper(I) Thioether Complexes","Inorganic Chemistry","2001","40","","4276","4283","10.1021/ic010273a","","","0.71073","MoKα","","0.0837","0.0496","","0.1334","0.0996","","","","1.032","1.046","1.046","","","","","has coordinates,has disorder","179304","2020-10-21","18:00:00",""
"4320120","11.755","0.001","21.87","0.002","5.919","0.001","90","","90","","90","","1521.7","0.3","293.2","","293.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 N2 O5 Re S2 -","- C10 H18 N2 O5 Re S2 -","- C40 H72 N8 O20 Re4 S8 -","4","1","","Takumi Konno; Yuichi Shimazaki; Masayuki Kawai; Masakazu Hirotsu","Synthesis, Characterization, and Stereochemistry of Oxorhenium(V) Complexes with 2-Aminoethanethiolate","Inorganic Chemistry","2001","40","","4250","4256","10.1021/ic010326o","","","0.7107","MoKα","","","0.0268","","","0.0221","","","","","1.819","1.819","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320149","14.531","0.006","10.772","0.004","6.888","0.002","90","","90","","90","","1078.2","0.7","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C2 H12 Cl5 Fe N2 O -","- C2 H12 Cl5 Fe N2 O -","- C8 H48 Cl20 Fe4 N8 O4 -","4","1","","Bruce D. James; Margarita Bakalova; John Liesegang; William Michael Reiff; Brian W. Skelton; Allan H. White","Isolation and Detailed Characterization of the trans-[(H2O)2FeCl4]- Anion: Stabilization of Novel Iron(III) Species by Large Organic Cations","Inorganic Chemistry","2001","40","","4617","4622","10.1021/ic001264p","","","0.71073","MoKα","","0.054","0.033","","0.037","","0.032","","","1.338","","","1.388","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4320158","15.3011","0.0014","36.415","0.003","7.8341","0.0005","90","","90","","90","","4365.1","0.6","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis[cinchoninium tetrachlorocuprate(II)]trihydrate","bis[cinchoninium tetrachlorocuprate(II)]trihydrate","","- C19 H27 Cl4 Cu N2 O2.5 -","- C19 H27 Cl4 Cu N2 O2.5 -","- C152 H216 Cl32 Cu8 N16 O20 -","8","2","","A. Wesełucha-Birczyńska; B. J. Oleksyn; S. K. Hoffmann; J. Śliwiński; B. Borzęcka-Prokop; J. Goslar; W. Hilczer","Flexibility of CuCl4-tetrahedra in Bis[Cinchoninium Tetrachlorocuprate(II)]trihydrate Single Crystals. X-ray Diffraction and EPR Studies","Inorganic Chemistry","2001","40","","4526","4533","10.1021/ic001402a","","","1.5418","CuKα","","0.0482","0.0479","","","0.1234","0.1237","","","","","","1.108","","","","has coordinates","179304","2020-10-21","18:00:00",""
"4320159","15.3948","0.0016","36.695","0.007","7.9806","0.0007","90","","90","","90","","4508.3","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis[cinchoninium tetrachlorocuprate(II)]trihydrate","bis[cinchoninium tetrachlorocuprate(II)]trihydrate","","- C19 H27 Cl4 Cu N2 O2.5 -","- C19 H27 Cl4 Cu N2 O2.5 -","- C152 H216 Cl32 Cu8 N16 O20 -","8","2","","A. Wesełucha-Birczyńska; B. J. Oleksyn; S. K. Hoffmann; J. Śliwiński; B. Borzęcka-Prokop; J. Goslar; W. Hilczer","Flexibility of CuCl4-tetrahedra in Bis[Cinchoninium Tetrachlorocuprate(II)]trihydrate Single Crystals. X-ray Diffraction and EPR Studies","Inorganic Chemistry","2001","40","","4526","4533","10.1021/ic001402a","","","1.5418","CuKα","","0.0713","0.0696","","","0.1892","0.1918","","","","","","1.102","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4320193","13.717","0.003","14.054","0.003","24.374","0.005","90","","90","","90","","4698.8","1.7","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34.8 H68.2 Cl2 N11.4 Ni2 O8 -","- C34.8 H68.2 Cl2 N11.4 Ni2 O8 -","- C139.2 H272.8 Cl8 N45.6 Ni8 O32 -","4","1","","Franc Meyer; Rainer F. Winter; Elisabeth Kaifer","Extremely Bent Cyanide Coordination at a Preorganized Dinickel Site and Assembly of a Starlike Nonanuclear Complex from the Constrained Dinickel Building Blocks","Inorganic Chemistry","2001","40","","4597","4603","10.1021/ic010249x","","","0.71073","MoKα","","0.0573","0.0438","","","0.1156","0.1223","","","","","","1.005","","","","has coordinates,has disorder","288183","2023-12-08","14:42:59",""
"4320231","7.9347","0.0005","7.9781","0.0005","17.921","0.0011","90","","90","","90","","1134.47","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","phosphatri(pyrrolyl)methane","P(C4H3N)3CH","","- C13 H10 N3 P -","- C13 H10 N3 P -","- C52 H40 N12 P4 -","4","1","","Thomas S. Barnard; Mark R. Mason","Hindered Axial-Equatorial Carbonyl Exchange in an Fe(CO)4(PR3) Complex of a Rigid Bicyclic Phosphine","Inorganic Chemistry","2001","40","","5001","5009","10.1021/ic001372b","","","0.71073","MoKα","","0.0339","0.0307","","","0.081","0.0831","","","","","","1.04","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320270","10.8679","0.0001","18.0093","0.0001","19.5705","0.0001","90","","90","","90","","3830.4","0.05","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 N O2 Zn -","- C41 H59 N O2 Zn -","- C164 H236 N4 O8 Zn4 -","4","1","","Malcolm H. Chisholm; Judith C. Gallucci; Hongshi Zhen; John C. Huffman","Three-Coordinate Zinc Amide and Phenoxide Complexes Supported by a Bulky Schiff Base Ligand","Inorganic Chemistry","2001","40","","5051","5054","10.1021/ic010560e","","","0.71073","MoKα","","0.0405","0.0339","","0.0807","0.0778","","","","1.032","1.048","1.048","","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320274","8.767","0.003","13.443","0.005","15.447","0.004","90","","90","","90","","1820.5","1","293","2","293","2","","","","","","","synthesized by the authors, see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 Ir P S4 -","- C13 H24 Ir P S4 -","- C52 H96 Ir4 P4 S16 -","4","1","","Bouchra El Mouatassim; Céline Pearson; Alan Shaver","The Preparation of (η5-C5Me5)Ir(PMe3)S4 from (η5-C5Me5)Ir(PMe3)(SH)2 and SO2","Inorganic Chemistry","2001","40","","5290","5291","10.1021/ic001385p","","","0.7093","MoKå","","0.0638","0.0531","","0.1331","","0.1261","","","1.017","","","1.029","","","","has coordinates,has Fobs","179305","2020-10-21","18:00:00",""
"4320280","10.709","0.002","14.263","0.003","25.065","0.005","90","","90","","90","","3828.5","1.3","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27.13 H42 B Cl6.88 F4 P2 Rh -","- C27.127 H42 B Cl6 F4 P4 Rh -","- C108.508 H168 B4 Cl24 F16 P16 Rh4 -","4","1","","Clinton Hunt; Frank R. Fronczek; Damon R. Billodeaux; George G. Stanley","A Monometallic Rh(III) Tetraphosphine Complex: Reductive Activation of CH2Cl2 and Selective Meso to Racemic Tetraphosphine Ligand Isomerization","Inorganic Chemistry","2001","40","","5192","5198","10.1021/ic010003s","","","0.71073","MoKα","","0.049","0.036","","","0.089","0.097","","","","","","0.861","","","","has coordinates","179305","2020-10-21","18:00:00",""
"4320292","11.8196","0.0002","13.4161","0.0004","15.8619","0.0005","90","","90","","90","","2515.27","0.12","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 F6 N P2 Ru -","- C24 H31 F6 N P2 Ru -","- C96 H124 F24 N4 P8 Ru4 -","4","1","","Vincent Ritleng; Philippe Bertani; Michel Pfeffer; Claude Sirlin; Jérôme Hirschinger","Optically Active Ortho-Metalated Half-Sandwich Ruthenium Complexes: Solid-State NMR as a Convenient Tool To Analyze Mixtures of Diastereomers","Inorganic Chemistry","2001","40","","5117","5122","10.1021/ic010204w","","","0.71073","Mo-Kα","","0.04","0.032","","0.672","","0.05","","","14.81","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4320306","12.226","0.0011","17.875","0.0012","19.1095","0.0017","90","","90","","90","","4176.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Tri-(3-methoxysalicylaldehydato)-di-m3-hydroxo-tetraaquo-1kO,2kO,3k2O=20 -di-(h2-nitrato)-trigadolinium(3+)]dinitrato-tetrahydrate.","","","- C24 H39 Gd3 N4 O31 -","- C24 H39 Gd3 N4 O31 -","- C96 H156 Gd12 N16 O124 -","4","1","","Jean-Pierre Costes; Françoise Dahan; Franck Nicodème","A Trinuclear Gadolinium Complex: Structure and Magnetic Properties","Inorganic Chemistry","2001","40","","5285","5287","10.1021/ic0103704","","","0.71073","MoKα","","0.0407","0.0265","","","0.052","0.0552","","","","","","0.945","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4320315","9.7213","0.0001","10.9246","0.0002","19.3747","0.0004","90","","90","","90","","2057.62","0.06","174.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N2 O2 Rh S2 -","- C18 H33 N2 O2 Rh S2 -","- C72 H132 N8 O8 Rh4 S8 -","4","1","","Andrew J. Souers; Timothy D. Owens; Allen G. Oliver; Frederick J. Hollander; Jonathan A. Ellman","Synthesis and Crystal Structure of a Unique and Homochiral N,S-Bonded N,N'-Bis(tert-butanesulfinyl)amidinate Rhodium(I) Complex","Inorganic Chemistry","2001","40","","5299","5301","10.1021/ic0104205","","","0.7107","MoKα","","","0.0195","","","","0.0212","","","","","","0.782","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320359","6.8528","0.0006","10.0584","0.0009","17.3064","0.0015","90","","90","","90","","1192.9","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 Mn2 O7 S2 -","- C7 Mn2 O7 S2 -","- C28 Mn8 O28 S8 -","4","1","","Richard D. Adams; O-Sung Kwon; Mark D. Smith","Mn2(CO)6(μ-CO)(μ-S2): The Simplest Disulfide of Manganese Carbonyl","Inorganic Chemistry","2001","40","","5322","5323","10.1021/ic010619h","","","0.71073","MoKα","","0.027","0.0257","","","0.0601","0.0606","","","","","","1.002","","","","has coordinates","179306","2020-10-21","18:00:00",""
"4320391","6.722","0.004","13.05","0.006","26.141","0.013","90","","90","","90","","2293","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(-)-Isopropyl-di-pinene-[5,6]-bipyridine","","","- C27 H34 N2 -","- C27 H34 N2 -","- C108 H136 N8 -","4","1","","Didier Lötscher; Stefan Rupprecht; Philippe Collomb; Peter Belser; Heiko Viebrock; Alex von Zelewsky; Peter Burger","Stereoselective Synthesis of Chiral Pinene[5,6]bipyridine Ligands and Their Coordination Chemistry","Inorganic Chemistry","2001","40","","5675","5681","10.1021/ic010411w","","","0.71073","MoKα","","0.1155","0.0833","","0.2009","0.1773","","","","1.077","1.162","1.162","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320407","12.8865","0.0001","19.4144","0.0004","24.9646","0.0004","90","","90","","90","","6245.74","0.17","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H57 Cl5 N4 O P4 Re2 -","- C66 H57 Cl5 N4 O P4 Re2 -","- C264 H228 Cl20 N16 O4 P16 Re8 -","4","1","","Shan-Ming Kuang; Phillip E. Fanwick; Richard A. Walton","Mixed-Metal Assemblies Containing Multiply Bonded Dirhenium Species Linked through Thiocyanate- and Cyanide-Containing Bridging Units","Inorganic Chemistry","2001","40","","5682","5690","10.1021/ic010442r","","","0.71073","MO-Kα","","","0.038","","","","0.084","","","","","","1.037","","","","has coordinates","179307","2020-10-21","18:00:00",""
"4320420","9.8883","0.0004","13.9564","0.0007","14.3346","0.0007","90","","90","","90","","1978.25","0.16","233","2","233","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl Ir P -","- C20 H29 Cl Ir P -","- C80 H116 Cl4 Ir4 P4 -","4","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0241","0.0225","","","0.0538","0.0545","","","","","","1.044","","","","has coordinates","179307","2020-10-21","18:00:00",""
"4320421","9.2614","0.0018","11.872","0.002","20.943","0.004","90","","90","","90","","2302.7","0.7","233","2","233","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl N P Pd -","- C22 H31 Cl N P Pd -","- C88 H124 Cl4 N4 P4 Pd4 -","4","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0169","0.0165","","","0.0438","0.0442","","","","","","1.039","","","","has coordinates","179307","2020-10-21","18:00:00",""
"4320422","6.515","0.003","11.386","0.005","11.817","0.004","90","","90","","90","","876.6","0.6","238","2","238","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O4 S -","- C6 H12 O4 S -","- C24 H48 O16 S4 -","4","1","","Jun Ho Shin; Brian M. Bridgewater; David G. Churchill; Gerard Parkin","Synthesis and Structural Characterization of PhP[(C5Me4)2], a Monodentate Chiral Phosphine Derived from Intramolecular C-C Coupling of Tetramethylcyclopentadienyl Groups: An Evaluation of Steric and Electronic Properties","Inorganic Chemistry","2001","40","","5626","5635","10.1021/ic010443j","","","0.71073","MoKα","","0.0494","0.0346","","","0.0736","0.0778","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4320443","14.942","0.004","26.923","0.008","9.976","0.003","90","","90","","90","","4013","2","298","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H49 Cl2 F7 N4 P2 -","- C38 H42 Cl2 F7 N4 P2 -","- C152 H168 Cl8 F28 N16 P8 -","4","1","","Kin-ya Akiba; Ryo Nadano; Wataru Satoh; Yohsuke Yamamoto; Shigeru Nagase; Zhongping Ou; Xiaoyu Tan; Karl M. Kadish","Synthesis, Structure, Electrochemistry, and Spectroelectrochemistry of Hypervalent Phosphorus(V) Octaethylporphyrins and Theoretical Analysis of the Nature of the PO Bond in P(OEP)(CH2CH3)(O)","Inorganic Chemistry","2001","40","","5553","5567","10.1021/ic010595e","","","1.5418","CuKα","","","0.0959","","","","0.1386","","","","","","1.286","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320456","9.324","0.002","13.329","0.0009","23.337","0.001","90","","90","","90","","2900.3","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 Cl2 Cu N6 O8 -","- C23 H36 Cl2 Cu N6 O8 -","- C92 H144 Cl8 Cu4 N24 O32 -","4","1","","Paul V. Bernhardt; Evan G. Moore; Mark J. Riley","Photoinduced Electron Transfer and Electronic Energy Transfer in Naphthyl-Appended Cyclams","Inorganic Chemistry","2001","40","","5799","5805","10.1021/ic0102586","","","0.71073","MoKα","","0.0886","0.0482","","","0.1198","0.1413","","","","","","0.981","","","","has coordinates","179307","2020-10-21","18:00:00",""
"4320644","5.442","0.001","5.667","0.001","7.69","0.001","90","","90","","90","","237.16","0.07","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","iodylfluoride","iodylfluoride","","- F I O2 -","- F I O2 -","- F4 I4 O8 -","4","1","","Rolf Minkwitz; Michael Berkei; Ralf Ludwig","Crystal Structure of IO2F","Inorganic Chemistry","2001","40","","6493","6495","10.1021/ic0105462","","","0.71069","MoKα","","0.0285","0.0267","","0.0578","0.0573","","","","1.102","1.117","1.117","","","","","has coordinates","179309","2020-10-21","18:00:00",""
"4320666","5.8658","0.0011","10.519","0.002","12.847","0.002","90","","90","","90","","792.7","0.2","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H5 Fe N O2 -","- C8 H5 Fe N O2 -","- C32 H20 Fe4 N4 O8 -","4","1","","Donald J. Darensbourg; Way-Zen Lee; Jason C. Yarbrough","Synthesis and Characterization of a Monocyanide-Bridged Bimetallic Iron(II) and Copper(I) Complex","Inorganic Chemistry","2001","40","","6533","6536","10.1021/ic010683z","","","0.71073","MoKα","","0.0453","0.0431","","","0.1086","0.1098","","","","","","1.051","","","","has coordinates","179309","2020-10-21","18:00:00",""
"4320683","11.29","0.002","11.942","0.002","15.458","0.002","90","","90","","90","","2084.1","0.6","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","rac-[ethylenebis(4,7-dimethyl-η^5^-1-indenyl)]dimethylzirconium","","- C26 H30 Zr -","- C26 H30 Zr -","- C104 H120 Zr4 -","4","1","","Davide Balboni; Isabella Camurati; Giansiro Prini; Luigi Resconi; Simona Galli; Pierluigi Mercandelli; Angelo Sironi","Group 4 Dimethylmetallocenes: Improved Synthesis and Reactivity Studies","Inorganic Chemistry","2001","40","","6588","6597","10.1021/ic010018q","","","0.71073","MoKα","","","0.0293","","","","0.0664","","","","","","1.08","","","","has coordinates,has disorder","179309","2020-10-21","18:00:00",""
"4320705","8.8259","0.0009","14.5443","0.0012","22.162","0.002","90","","90","","90","","2844.9","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 Cl2 N5 O Os -","- C33 H23 Cl2 N5 O Os -","- C132 H92 Cl8 N20 O4 Os4 -","4","1","","Michael T. Ashby; Susan S. Alguindigue; Justin D. Schwane; Tad A. Daniel","Regular and Inverse Secondary Kinetic Enthalpy Effects (KHE) for the Rate of Inversion of Thioether and 1,1'-Biisoquinoline Complexes of Ruthenium and Osmium","Inorganic Chemistry","2001","40","","6643","6650","10.1021/ic0105720","","","0.71073","MoKα","","0.0274","0.0249","","","0.0571","0.0581","","","","","","1.046","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4320728","8.3436","0.0008","9.4433","0.001","22.347","0.002","90","","90","","90","","1760.7","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cu N5 O S2 -","- C14 H16 Cu N5 O S2 -","- C56 H64 Cu4 N20 O4 S8 -","4","1","","Sean B. Seymore; Seth N. Brown","Synthesis and Cleavage Reactions of Metal-Metal-Bonded [Mo2(S2CNR2)6](OTf)2, a Source of the Tris(dithiocarbamato)molybdenum(IV) Fragment","Inorganic Chemistry","2001","40","","6676","6683","10.1021/ic010673y","","","0.71073","MoKα","","0.0364","0.0293","","","0.0674","0.0704","","","","","","1.022","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4320738","10.9002","0.0005","15.1173","0.0008","31.5919","0.0015","90","","90","","90","","5205.8","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H78 Al N3 O2 Si2 -","- C49 H76 Al N3 O2 Si2 -","- C196 H304 Al4 N12 O8 Si8 -","4","1","","Miguel-Angel Munoz-Hernandez; Timothy S. Keizer; Pingrong Wei; Sean Parkin; David A. Atwood","Reactivity and Derivatization of Five-Coordinate, Chelated Aluminum","Inorganic Chemistry","2001","40","","6782","6787","10.1021/ic010759r","","","0.71073","MoKα","","0.1295","0.0737","","0.1807","0.136","","","","1.071","1.077","1.077","","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4320739","9.5599","0.0016","9.9579","0.0016","31.712","0.005","90","","90","","90","","3018.9","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Cl2 N2 O5 Re -","- C33 H29 Cl2 N2 O5 Re -","- C132 H116 Cl8 N8 O20 Re4 -","4","1","","Virginie M. Béreau; Saeed I. Khan; Mahdi M. Abu-Omar","Synthesis of Enantiopure Oxorhenium(V) and Arylimidorhenium(V) ""3 + 2"" Schiff Base Complexes. X-ray Diffraction, Cyclic Voltammetry, UV-Vis, and Circular Dichroism Characterizations","Inorganic Chemistry","2001","40","","6767","6773","10.1021/ic0108033","","","0.71073","MoKα","","0.0292","0.0277","","","0.0618","0.0623","","","","","","1.081","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4320770","8.5485","0.0014","12.781","0.002","13.333","0.002","90","","90","","90","","1456.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Ag N5 O3 -","- C12 H14 Ag N5 O3 -","- C48 H56 Ag4 N20 O12 -","4","1","","Youngjin Kang; Shim Sung Lee; Ki-Min Park; Seung Hee Lee; Sang Ook Kang; Jaejung Ko","Self-Assembly of One-Dimensional Coordination Polymers from AgX (X = CF3SO3-, ClO4-, and NO3-) and 2-Aminomethylpyridinedipropionitrile (2-AMPDPN)","Inorganic Chemistry","2001","40","","7027","7031","10.1021/ic0105765","","","0.71073","MoKα","","0.0655","0.0548","","","0.2128","0.2194","","","","","","1.26","","","","has coordinates","179310","2020-10-21","18:00:00",""
"4320817","9.3542","0.0001","18.1148","0.0002","19.7675","0.0002","90","","90","","90","","3349.59","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H44 N7 O13 Yb -","- C22 H44 N7 O13 Yb -","- C88 H176 N28 O52 Yb4 -","4","1","","C. Den Auwer; M. C. Charbonnel; M. G. B. Drew; M. Grigoriev; M. J. Hudson; P. B. Iveson; C. Madic; M. Nierlich; M. T. Presson; R. Revel; M. L. Russell; P. Thuéry","Crystallographic, X-ray Absorption, and IR Studies of Solid- and Solution-State Structures of Tris(nitrato)N,N,N',N'-Tetraethylmalonamide Complexes of Lanthanides. Comparison with the Americium Complex","Inorganic Chemistry","2000","39","","1487","1495","10.1021/ic990817x","","","0.71073","MoKα","","0.0187","0.0176","","0.0422","","0.0411","","","1.056","","","1.061","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4320840","10.2768","0.0005","10.3016","0.0005","18.8364","0.001","90","","90","","90","","1994.16","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H22 Co4 N4 O17 P4 -","- C5.33333 H29.3333 Co5.33333 N5.33333 O22.6667 P5.33333 -","- C16 H88 Co16 N16 O68 P16 -","3","0.75","","Srinivasan Natarajan; S. Neeraj; Amitava Choudhury; C. N. R. Rao","Three-Dimensional Open-Framework Cobalt(II) Phosphates by Novel Routes","Inorganic Chemistry","2000","39","","1426","1433","10.1021/ic991223x","","","0.71073","MoKα","","0.0204","0.0201","","0.0486","0.0485","","","","1.069","1.071","1.071","","","","","has coordinates","179311","2020-10-21","18:00:00",""
"4320963","9.483","0.001","14.762","0.003","8.077","0.005","90","","90","","90","","1130.7","0.7","173","1","173","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[Cd0.21Zn0.79(CH2(COO)2)(SC(NH2)2]n","","- C5 H10 Cd0.21 N4 O4 S2 Zn0.79 -","- C5 H10 N4 O4 S2 Zn -","- C20 H40 N16 O16 S8 Zn4 -","4","1","","Yugen Zhang; Jianmin Li; Jinhua Chen; Qibin Su; Wei Deng; Masayoshi Nishiura; Tsuneo Imamoto; Xintao Wu; Quanming Wang","A Novel α-Helix-Liked Metallohelicate Series and Their Structural Adjustments for the Isomorphous Substitution","Inorganic Chemistry","2000","39","","2330","2336","10.1021/ic990911d","","","0.7107","MoKα","","","0.059","","","","0.081","","","","","","1.87","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320964","8.1405","0.0001","9.6384","0.0002","14.8755","0.0004","90","","90","","90","","1167.15","0.04","293","1","293","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[Cd(CH2(COO)2)(SC(NH2)2]n","","- C5 H10 Cd N4 O4 S2 -","- C5 H10 Cd N4 O4 S2 -","- C20 H40 Cd4 N16 O16 S8 -","4","1","","Yugen Zhang; Jianmin Li; Jinhua Chen; Qibin Su; Wei Deng; Masayoshi Nishiura; Tsuneo Imamoto; Xintao Wu; Quanming Wang","A Novel α-Helix-Liked Metallohelicate Series and Their Structural Adjustments for the Isomorphous Substitution","Inorganic Chemistry","2000","39","","2330","2336","10.1021/ic990911d","","","0.7107","MoKα","","0.0154","0.0146","","0.0336","0.0333","","","","","1.05","1.05","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320966","9.629","0.004","14.851","0.003","8.123","0.004","90","","90","","90","","1161.6","0.8","173","1","173","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[Cd0.77Zn0.23(CH2(COO)2)(SC(NH2)2]n","","- C5 H10 Cd0.77 N4 O4 S2 Zn0.23 -","- C5 H10 Cd N4 O4 S2 -","- C20 H40 Cd4 N16 O16 S8 -","4","1","","Yugen Zhang; Jianmin Li; Jinhua Chen; Qibin Su; Wei Deng; Masayoshi Nishiura; Tsuneo Imamoto; Xintao Wu; Quanming Wang","A Novel α-Helix-Liked Metallohelicate Series and Their Structural Adjustments for the Isomorphous Substitution","Inorganic Chemistry","2000","39","","2330","2336","10.1021/ic990911d","","","0.7107","MoKα","","","0.073","","","","0.1","","","","","","1.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4320967","9.481","0.002","14.71","0.008","8.076","0.001","90","","90","","90","","1126.3","0.7","173","1","173","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[Cd0.50Zn0.50(CH2(COO)2)(SC(NH2)2]n","","- C5 H10 Cd0.5 N4 O4 S2 Zn0.5 -","- C5 H10 N4 O4 S2 Zn -","- C20 H40 N16 O16 S8 Zn4 -","4","1","","Yugen Zhang; Jianmin Li; Jinhua Chen; Qibin Su; Wei Deng; Masayoshi Nishiura; Tsuneo Imamoto; Xintao Wu; Quanming Wang","A Novel α-Helix-Liked Metallohelicate Series and Their Structural Adjustments for the Isomorphous Substitution","Inorganic Chemistry","2000","39","","2330","2336","10.1021/ic990911d","","","0.7107","MoKα","","","0.082","","","","0.113","","","","","","2.57","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321025","19.531","0.002","22.819","0.003","13.373","0.001","90","","90","","90","","5960.1","1.1","299.2","","299.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60.7 H83.4 Cl1.4 N5 Ni2 O4 -","- C60.7 H83.4 Cl1.4 N5 Ni2 O4 -","- C242.8 H333.6 Cl5.6 N20 Ni8 O16 -","4","1","","Zengmin Li; Chet Jablonski","Synthesis, Characterization, and Structure of Macrocyclic Mono- and C2-Symmetric, Binuclear Nickel Calixsalen Complexes","Inorganic Chemistry","2000","39","","2456","2461","10.1021/ic990935k","","","1.5418","CuKα","","0.108","0.067","","0.067","","0.065","","","3.144","","","3.6","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321144","17.28","0.005","17.74","0.005","32.37","0.005","90","","90","","90","","9923","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","methylcobalamin solvated","","- C63 H127.2 Co N13 O32.1 P -","- C63 H109 Co N13 O32.1 P -","- C252 H436 Co4 N52 O128.4 P4 -","4","1","","Lucio Randaccio; Michela Furlan; Silvano Geremia; Miroslav Šlouf; Ivana Srnova; Daniele Toffoli","Similarities and Differences between Cobalamins and Cobaloximes. Accurate Structural Determination of Methylcobalamin and of LiCl- and KCl-Containing Cyanocobalamins by Synchrotron Radiation","Inorganic Chemistry","2000","39","","3403","3413","10.1021/ic0001199","","","0.8","synchrotron","","0.0898","0.0834","","","0.2312","0.2398","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321145","15.36","0.001","22.493","0.001","23.83","0.001","90","","90","","90","","8233.1","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","cyanocobalamin bis(lithiumchloride) solvated","","- C63 H108.4 Cl2 Co Li2 N14 O24.2 P -","- C63 H98 Cl2 Co Li2 N14 O24.2 P -","- C252 H392 Cl8 Co4 Li8 N56 O96.8 P4 -","4","1","","Lucio Randaccio; Michela Furlan; Silvano Geremia; Miroslav Šlouf; Ivana Srnova; Daniele Toffoli","Similarities and Differences between Cobalamins and Cobaloximes. Accurate Structural Determination of Methylcobalamin and of LiCl- and KCl-Containing Cyanocobalamins by Synchrotron Radiation","Inorganic Chemistry","2000","39","","3403","3413","10.1021/ic0001199","","","0.8","synchrotron","","0.0438","0.0435","","","0.1244","0.1247","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321146","16.015","0.005","21.146","0.005","23.843","0.005","90","","90","","90","","8075","4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","cyanocobalamin (potassiumchloride) solvated","","- C63 H109.2 Cl Co K N14 O24.6 P -","- C63 H95.2 Cl Co K N14 O24.6 P -","- C252 H380.8 Cl4 Co4 K4 N56 O98.4 P4 -","4","1","","Lucio Randaccio; Michela Furlan; Silvano Geremia; Miroslav Šlouf; Ivana Srnova; Daniele Toffoli","Similarities and Differences between Cobalamins and Cobaloximes. Accurate Structural Determination of Methylcobalamin and of LiCl- and KCl-Containing Cyanocobalamins by Synchrotron Radiation","Inorganic Chemistry","2000","39","","3403","3413","10.1021/ic0001199","","","0.8","synchrotron","","0.0951","0.0733","","","0.1973","0.2111","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4321170","14.198","0.002","22.422","0.002","12.019","0.002","90","","90","","90","","3826.2","0.9","293.2","","293.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 N12 Ni O7 -","- C37 H40 N12 Ni O7 -","- C148 H160 N48 Ni4 O28 -","4","1","","Ikuko Katsuki; Naohide Matsumoto; Masaaki Kojima","Synthesis, Characterization, and Spontaneous Resolution of Chiral Nickel(II) Complexes with the Tripod Ligand Tris[2-(((2-phenylimidazol-4-yl)methylidene)amino)ethyl]amine","Inorganic Chemistry","2000","39","","3350","3354","10.1021/ic9909025","","","0.7107","MoKα","","0.0452","0.0452","","","0.0455","0.0429","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321171","14.206","0.002","22.735","0.003","12.696","0.003","90","","90","","90","","4100.5","1.3","293.2","","293.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Cl2 N10 Ni O9 -","- C37 H40 Cl2 N10 Ni O9 -","- C148 H160 Cl8 N40 Ni4 O36 -","4","1","","Ikuko Katsuki; Naohide Matsumoto; Masaaki Kojima","Synthesis, Characterization, and Spontaneous Resolution of Chiral Nickel(II) Complexes with the Tripod Ligand Tris[2-(((2-phenylimidazol-4-yl)methylidene)amino)ethyl]amine","Inorganic Chemistry","2000","39","","3350","3354","10.1021/ic9909025","","","0.7107","MoKα","","0.0697","0.0697","","","0.0435","0.0435","","","","","","2.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321219","8.823","0.006","10.209","0.002","10.362","0.002","90","","90","","90","","933.3","0.7","297","2","297","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","","silver(I) cyanide tetramethylthiourea complex 1/1","","- C6 H12 Ag N3 S -","- C6 H12 Ag N3 S -","- C24 H48 Ag4 N12 S4 -","4","1","","Fred B. Stocker; Doyle Britton; Victor G. Young","Crystal Structures of a Family of Silver Cyanide Complexes of Thiourea and Substituted Thioureas","Inorganic Chemistry","2000","39","","3479","3484","10.1021/ic990859l","","","0.71073","MoKα","","0.052","0.038","","0.089","0.081","","","","1.082","1.1","1.1","","","","","has coordinates","179315","2020-10-21","18:00:00",""
"4321224","8.0612","0.0006","16.6065","0.0013","8.5004","0.0012","90","","90","","90","","1137.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 6","","","- C6 H15 N2 S3 V -","- C6 H15 N2 S3 V -","- C24 H60 N8 S12 V4 -","4","1","","Sian C. Davies; David L. Hughes; Zofia Janas; Lucjan B. Jerzykiewicz; Raymond L. Richards; J. Roger Sanders; James E. Silverston; Piotr Sobota","Vanadium Complexes of the N(CH2CH2S)33- and O(CH2CH2S)22- Ligands with Coligands Relevant to Nitrogen Fixation Processes","Inorganic Chemistry","2000","39","","3485","3498","10.1021/ic9909476","","","0.71069","MoKα","","0.085","0.0492","","0.0932","0.0724","","","","1.058","1.095","1.095","","","","","has coordinates,has disorder","179315","2020-10-21","18:00:00",""
"4321251","15.423","0.005","14.034","0.005","10.97","0.005","90","0.005","90","0.005","90","0.005","2374.4","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 N6 O6 Ru -","- C22 H18 N8 O6 Ru -","- C88 H72 N32 O24 Ru4 -","4","1","","Anna C. G. Hotze; Aldrik H. Velders; Franco Ugozzoli; Marina Biagini-Cingi; Anna M. Manotti-Lanfredi; Jaap G. Haasnoot; Jan Reedijk","Synthesis, Characterization, and Crystal Structure of α-[Ru(azpy)2(NO3)2] (azpy = 2-(Phenylazo)pyridine) and the Products of Its Reactions with Guanine Derivatives","Inorganic Chemistry","2000","39","","3838","3844","10.1021/ic000066v","","","0.71069","MoKα","","0.0797","0.042","","0.118","0.1083","","","","0.89","1.085","1.085","","","","","has coordinates","179315","2020-10-21","18:00:00",""
"4321322","9.9638","0.0004","13.3049","0.0006","19.5424","0.0009","90","","90","","90","","2590.7","0.2","293","2","293","2","","","","","","","B. Lam/ Prof. W. Tolman","6","P 21 21 21","P 2ac 2ab","19","97011","","","- C18 H38 Cu F6 N4 Sb -","- C18 H38 Cu F6 N4 Sb -","- C72 H152 Cu4 F24 N16 Sb4 -","4","1","","Bernice M. T. Lam; Jason A. Halfen; Victor G. Young,; John R. Hagadorn; Patrick L. Holland; Agustí Lledós; Lourdes Cucurull-Sánchez; Juan J. Novoa; Santiago Alvarez; William B. Tolman","Ligand Macrocycle Structural Effects on Copper-Dioxygen Reactivity","Inorganic Chemistry","2000","39","","4059","4072","10.1021/ic000248p","","","0.71073","MoKα","","0.0612","0.0461","","0.119","0.1094","","","","1.04","1.093","1.093","","","","","has coordinates","179316","2020-10-21","18:00:00",""
"4321389","13.146","0.001","17.691","0.002","17.962","0.003","90","","90","","90","","4177.3","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 La N4 O13 P2 -","- C38 H39 La N4 O13 P2 -","- C152 H156 La4 N16 O52 P8 -","4","1","","Gan, Xin-Min; Parveen, Sahrah; Smith, Wayne L.; Duesler, Eileen N.; Paine, Robert T.","Synthesis, Characterization, and Coordination Chemistry of a New Geometrically Hindered Trifunctional Ligand, 4,5-Bis(diphenylphosphino)-sym-octahydroacridine N,P,P'-Trioxide","Inorganic Chemistry","2000","39","20","4591","4598","10.1021/ic000153n","","","0.71073","MoKα","","0.0785","0.0432","","","0.0805","0.0889","","","","","","1.053","","","","has coordinates","209507","2020-10-21","18:00:00",""
"4321390","13.131","0.002","17.579","0.008","17.853","0.007","90","","90","","90","","4121","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H39 N4 Nd O13 P2 -","- C38 H39 N4 Nd O13 P2 -","- C152 H156 N16 Nd4 O52 P8 -","4","1","","Gan, Xin-Min; Parveen, Sahrah; Smith, Wayne L.; Duesler, Eileen N.; Paine, Robert T.","Synthesis, Characterization, and Coordination Chemistry of a New Geometrically Hindered Trifunctional Ligand, 4,5-Bis(diphenylphosphino)-sym-octahydroacridine N,P,P'-Trioxide","Inorganic Chemistry","2000","39","20","4591","4598","10.1021/ic000153n","","","0.71073","MoKα","","0.0853","0.0386","","","0.075","0.0917","","","","","","1.039","","","","has coordinates","209507","2020-10-21","18:00:00",""
"4321431","7.8669","0.001","14.358","0.002","21.503","0.003","90","","90","","90","","2428.8","0.6","160","2","160","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N Na O5 S2 Zn -","- C22 H30 N Na O5 S2 Zn -","- C88 H120 N4 Na4 O20 S8 Zn4 -","4","1","","Núria Duran; William Clegg; Lourdes Cucurull-Sánchez; Robert A. Coxall; Hermas R. Jiménez; José-María Moratal; Francesc Lloret; Pilar González-Duarte","Unprecedented Stabilization of Cobalt(II) in a Tetrahedral S2O2 Environment: The Use of a Redox-Noninnocent Ligand","Inorganic Chemistry","2000","39","","4821","4832","10.1021/ic000223q","","","0.71073","MoKα","","0.037","0.0335","","0.0752","0.0733","","","","1.101","1.106","1.106","","","","","has coordinates","179317","2020-10-21","18:00:00",""
"4321618","6.972","0.001","15.678","0.002","19.032","0.002","90","","90","","90","","2080.3","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Mn N2 O4 Sn -","- C23 H19 Mn N2 O4 Sn -","- C92 H76 Mn4 N8 O16 Sn4 -","4","1","","Dominique Agustin; Ghassoub Rima; Heinz Gornitzka; Jacques Barrau","(Schiff Base) Divalent Group 14 Element Species: Manganese and Iron Complexes (Salen)MMn(CO)2(η5-C5H5) (M14= Ge, Sn, Pb) and (Salen)SnFe(CO)4","Inorganic Chemistry","2000","39","","5492","5495","10.1021/ic9915045","","","0.71073","MoKα","","0.03","0.0288","","","0.0733","0.0738","","","","","","1.037","","","","has coordinates","179319","2020-10-21","18:00:00",""
"4321620","9.75","0.001","11.413","0.002","15.657","0.003","90","","90","","90","","1742.3","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N2 O6 Re S2 -","- C12 H23 N2 O6 Re S2 -","- C48 H92 N8 O24 Re4 S8 -","4","1","","Lory Hansen; Shun Hirota; Xiaolong Xu; Andrew T. Taylor; Luigi G. Marzilli","Nature of Cysteine-Based Re(V)O(N2S2) Radiopharmaceuticals at Physiological pH Ascertained by Investigation of a New Complex with a MesoN2S2 Ligand Having Carboxyl Groups Anti to the Oxo Group","Inorganic Chemistry","2000","39","","5731","5740","10.1021/ic000183q","","","0.71073","MoKα","","0.0369","0.0365","","0.0956","0.0951","","","","1.112","1.119","1.119","","","","","has coordinates","179319","2020-10-21","18:00:00",""
"4321678","5.826","0.003","10.691","0.004","15.854","0.005","90","","90","","90","","987.5","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","beta-Tricalcium nitrido dialuminate","","","- Al2 Ca3 N4 -","- Al2 Ca3 N4 -","- Al16 Ca24 N32 -","8","2","","M. Ludwig; J. Jäger; R. Niewa; R. Kniep","Crystal Structures of Two Polymorphs of Ca3[Al2N4]","Inorganic Chemistry","2000","39","","5909","5911","10.1021/ic0002869","","","0.71073","MoKα","","0.1412","0.0783","","","0.1677","0.221","","","","","","1.228","","","","has coordinates","179319","2020-10-21","18:00:00",""
"4321738","9.8297","0.0001","11.1519","0.0001","16.1352","0.0002","90","","90","","90","","1768.74","0.03","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-methylimidazole-cyanomethylcobaloxime","trans-bis(Dimethylglyoximato)-cyanomethyl-1-methylimidazole-cobalt(iii)","","- C14 H22 Co N7 O4 -","- C14 H22 Co N7 O4 -","- C56 H88 Co4 N28 O16 -","4","1","","Scott J. Moore; Rene J. Lachicotte; Sharon T. Sullivan; Luigi G. Marzilli","Use of 13C-1H NMR Coupling Constants To Assess the Binding of Imidazole Ring Ligands to Metals","Inorganic Chemistry","1999","38","","383","390","10.1021/ic980519k","","","0.71073","MoKα","","0.0304","0.0272","","0.0724","0.071","","","","0.86","0.879","0.879","","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4321761","10.481","0.002","18.243","0.002","7.474","0.002","90","","90","","90","","1429.1","0.5","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O S2 -","- C12 H19 N O S2 -","- C48 H76 N4 O4 S8 -","4","1","","Shinzi Kato; Nobuyuki Kitaoka; Osamu Niyomura; Yuka Kitoh; Takahiro Kanda; Masahiro Ebihara","Heavy Alkali Metal Arenedithiocarboxylates: A Facile Synthesis, Dimeric Structure, and Nonbonding Interaction between the Metals and Aromatic Ring Carbons","Inorganic Chemistry","1999","38","","496","506","10.1021/ic9808089","","","0.7107","MoKα","","0","0","","","0","0.0365","","","","","","1.339","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321766","11.3264","0.0009","13.671","0.001","8.371","0.001","90","","90","","90","","1296.2","0.2","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O2 S -","- C12 H19 N O2 S -","- C48 H76 N4 O8 S4 -","4","1","","Osamu Niyomura; Shinzi Kato; Takahiro Kanda","Facile Synthesis and Structure of Heavy Alkali Metal Thiocarboxylates: Structural Comparison with the Selenium and Tellurium Isologues","Inorganic Chemistry","1999","38","","507","518","10.1021/ic9808091","","","0.7107","MoKα","","0.0352","0.0352","","","0.0358","0.0358","","","","","","1.643","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321790","9.172","0.002","10.844","0.002","11.648","0.002","90","","90","","90","","1158.5","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","anti-ReO(CACAH2)","","","- C7 H11 N2 O4 Re S2 -","- C7 H11 N2 O4 Re S2 -","- C28 H44 N8 O16 Re4 S8 -","4","1","","Hing C. Wong; Raymond Coogan; Francesco P. Intini; Giovanni Natile; Luigi G. Marzilli","New Steric Hindrance Approach Employing the Hybrid Ligand 2-Aminomethylpiperidine for Diminishing Dynamic Motion Problems of Platinum Anticancer Drug Adducts Containing Guanine Derivatives","Inorganic Chemistry","1999","38","","777","787","10.1021/ic980987u","","","0.71073","MoKα","","0.0151","0.0147","","0.0358","0.0353","","","","0.36","0.359","0.359","","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4321791","10.6811","0.0002","10.9709","0.0002","37.5134","0.0005","90","","90","","90","","4395.87","0.13","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","syn-ReO(PACAH2) 0.67H2O","","","- C9 H16.33 N2 O4.67 Re S2 -","- C9 H16.3333 N2 O4.66667 Re S2 -","- C108 H196 N24 O56 Re12 S24 -","12","3","","Hing C. Wong; Raymond Coogan; Francesco P. Intini; Giovanni Natile; Luigi G. Marzilli","New Steric Hindrance Approach Employing the Hybrid Ligand 2-Aminomethylpiperidine for Diminishing Dynamic Motion Problems of Platinum Anticancer Drug Adducts Containing Guanine Derivatives","Inorganic Chemistry","1999","38","","777","787","10.1021/ic980987u","","","0.71073","MoKα","","0.029","0.0248","","0.0453","0.0443","","","","0.992","1.004","1.004","","","","","has coordinates","179320","2020-10-21","18:00:00",""
"4321798","13.5266","0.0008","14.9709","0.0009","21.9952","0.0013","90","","90","","90","","4454.1","0.5","293","","293","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","2a","","- C43 H38 Cl2 F6 N2 O4 P2 Pt S2 -","- C43 H38 Cl2 F6 N2 O4 P2 Pt S2 -","- C172 H152 Cl8 F24 N8 O16 P8 Pt4 S8 -","4","1","","Jennifer J. Becker; Peter S. White; Michel R. Gagné","Synthesis and Characterization of Chiral Platinum(II) Sulfonamides: (dppe)Pt(NN) and (dppe)Pt(NO) Complexes","Inorganic Chemistry","1999","38","","798","801","10.1021/ic981287s","","","0.7093","MolybdenumKα","","0.032","0.029","","0.025","0.025","","","","","1.66","1.66","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4321806","11.723","0.0004","16.5951","0.0006","27.8526","0.001","90","","90","","90","","5418.6","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H56 Cl8 Fe2 N2 P2 Ru -","- C54 H56 Cl8 Fe2 N2 P2 Ru -","- C216 H224 Cl32 Fe8 N8 P8 Ru4 -","4","1","","Jeong-Ho Song; Dong-Jei Cho; Sang-Jin Jeon; Yong-Hoon Kim; Tae-Jeong Kim; Jong Hwa Jeong","Synthesis of Chiral C2-Symmetric Bisferrocenyldiamines. X-ray Crystal Structure of Ru(2)Cl2.2CHCl3 (2 = N1,N2-Bis{(R)-1-[(S)-2-(diphenylphosphino)]ferrocenylethyl}- N1,N2-dimethyl-1,2-ethanediamine)","Inorganic Chemistry","1999","38","","893","896","10.1021/ic980433r","","","0.71073","MoKα","","0.059","0.0548","","","0.1233","0.1257","","","","","","1.089","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4321825","11.8522","0.0005","13.4689","0.0006","25.3911","0.0011","90","","90","","90","","4053.3","0.3","160","2","160","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(mu!2$-iodo)-bis(mu!2$-pyrazolate-N,N')-bis(carbonyl-iodo-dimethyl phenylphosphine-rhodium(iii)) pentaiodide","","- C24 H28 I8 N4 O2 P2 Rh2 -","- C24 H28 I8 N4 O2 P2 Rh2 -","- C96 H112 I32 N16 O8 P8 Rh8 -","4","1","","Cristina Tejel; Marta Bordonaba; Miguel A. Ciriano; Andrew J. Edwards; William Clegg; Fernando J. Lahoz; Luis A. Oro","Oxidative-Addition Reactions of Diiodine to Dinuclear Rhodium Pyrazolate Complexes","Inorganic Chemistry","1999","38","","1108","1117","10.1021/ic980650s","","","0.71073","MoKα","","0.0437","0.0359","","","0.0856","0.0896","","","","","","1.047","","","","has coordinates","179321","2020-10-21","18:00:00",""
"4321902","24.075","0.01","21.143","0.003","15.981","0.003","90","","90","","90","","8135","4","120","2","120","2","","","","","","","see paper","7","P 21 21 21","P 2ac 2ab","19","difluoromethylcobalamin","","","- C63 H123 Co F2 N13 O31 P -","- C63 H121 Co F2 N13 O30 P -","- C252 H484 Co4 F8 N52 O120 P4 -","4","1","","Trixie Wagner; Carol E. Afshar; H. L. Carrell; Jenny P. Glusker; Ulli Englert; Harry P. C. Hogenkamp","Difluoromethylcobalamin: Structural Aspects of an Old Tree with a New Branch","Inorganic Chemistry","1999","38","","1785","1794","10.1021/ic980751q","","","0.71073","MoKα","","0.1519","0.0716","","","0.1509","0.1944","","","","","","0.904","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4321966","9.269","0.001","12.773","0.002","13.142","0.001","90","","90","","90","","1555.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2a","","","- C16 H20 N4 Ru -","- C16 H20 N4 Ru -","- C64 H80 N16 Ru4 -","4","1","","Heather D. Hansen; Kalyani Maitra; John H. Nelson","Chloride Substitution Reactions of Cycloruthenated (R)C-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry","Inorganic Chemistry","1999","38","","2150","2156","10.1021/ic981304d","","","0.71073","MoKα","","0.0381","0.029","","0.0551","0.0521","","","","1.039","1.044","1.044","","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4321969","8.9342","0.0013","13.0426","0.0014","13.386","0.002","90","","90","","90","","1559.8","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5a","","","- C17 H20 N2 O Ru -","- C17 H20 N2 O Ru -","- C68 H80 N8 O4 Ru4 -","4","1","","Heather D. Hansen; Kalyani Maitra; John H. Nelson","Chloride Substitution Reactions of Cycloruthenated (R)C-(+)-N,N-Dimethyl(1-phenylethyl)amine with Pseudohalides: Ruthenium Atom Stereochemistry","Inorganic Chemistry","1999","38","","2150","2156","10.1021/ic981304d","","","0.71073","MoKα","","0.0678","0.0408","","0.0692","0.0604","","","","1.02","1.051","1.051","","","","","has coordinates","179322","2020-10-21","18:00:00",""
"4322077","12.772","0.006","15.208","0.005","19.601","0.007","90","","90","","90","","3807","3","293","2","293","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 Cl5 N3 O2 P Ru -","- C36 H39 Cl5 N3 O2 P Ru -","- C144 H156 Cl20 N12 O8 P4 Ru4 -","4","1","","Victorio Cadierno; M. Pilar Gamasa; José Gimeno; Luis Iglesias; Santiago García-Granda","Stereochemically Controlled Synthesis of Ruthenium(II) Complexes Containing Bis(oxazolin-2'-yl)pyridine Ligands. X-ray Crystal Structures of trans-[RuCl2(PPh3){κ3-N,N,N-(S,S)-iPr-pybox}] and [RuCl(CCCPh2)(PPh3){κ3-N,N,N-(S,S)-iPr-pybox}][PF6] ((S,S)-iPr-pybox= 2,6-Bis[4'-(S)-isopropyloxazolin-2'-yl]pyridine)","Inorganic Chemistry","1999","38","","2874","2879","10.1021/ic9813258","","","0.71073","MoKα","","0.0805","0.0565","","","0.0944","0.1086","","","","","","1.049","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322078","14.79","0.03","16.254","0.008","22.917","0.018","90","","90","","90","","5509","12","293","2","293","2","","","","","","","synthesis","8","P 21 21 21","P 2ac 2ab","19","","","","- C54 H56 Cl F6 N3 O3 P2 Ru -","- C54 H56 Cl F6 N3 O3 P2 Ru -","- C216 H224 Cl4 F24 N12 O12 P8 Ru4 -","4","1","","Victorio Cadierno; M. Pilar Gamasa; José Gimeno; Luis Iglesias; Santiago García-Granda","Stereochemically Controlled Synthesis of Ruthenium(II) Complexes Containing Bis(oxazolin-2'-yl)pyridine Ligands. X-ray Crystal Structures of trans-[RuCl2(PPh3){κ3-N,N,N-(S,S)-iPr-pybox}] and [RuCl(CCCPh2)(PPh3){κ3-N,N,N-(S,S)-iPr-pybox}][PF6] ((S,S)-iPr-pybox= 2,6-Bis[4'-(S)-isopropyloxazolin-2'-yl]pyridine)","Inorganic Chemistry","1999","38","","2874","2879","10.1021/ic9813258","","","0.71073","MoKα","","0.1403","0.0545","","","0.1381","0.1679","","","","","","1.03","","","","has coordinates","179323","2020-10-21","18:00:00",""
"4322114","7.9578","0.0002","8.1505","0.0002","19.5206","0.0006","90","","90","","90","","1266.11","0.06","173","2","173","2","","","","","","","synthesis","6","P 21 21 21","P 2ac 2ab","19","","copper(II)(2-amino-1,3-thiazoline-4-carboxylate) monohydrate'","","- C8 H12 Cu N4 O5 S2 -","- C8 H12 Cu N4 O5 S2 -","- C32 H48 Cu4 N16 O20 S8 -","4","1","","Fred B. Stocker; Paul Fadden; Spencer Dreher; Doyle Britton","Copper(II) Complexes of Histamine and Cysteine Produced by Thiosulfate-Assisted Synthesis Using Copper(I) Cyanide. The in Situ Formation of the Thiocyanate Anion and the 2-Amino-2-thiazoline-4-carboxylic Acid Ligand","Inorganic Chemistry","1999","38","","3251","3253","10.1021/ic9814118","","","0.71073","MoKα","","0.021","0.0201","","0.0488","0.0485","","","","1.09","1.096","1.096","","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4322123","13.146","0.007","15.142","0.005","25.631","0.009","90","","90","","90","","5102","4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N O11 V -","- C21 H32 N O11 V -","- C168 H256 N8 O88 V8 -","8","2","","Kajal Krishna Rajak; Sankar Prasad Rath; Sujit Mondal; Animesh Chakravorty","Carbohydrate Binding to VO3+. Sugar Vanadate Esters Incorporating l-Amino Acid Schiff Bases as Coligands","Inorganic Chemistry","1999","38","","3283","3289","10.1021/ic981344h","","","0.71073","MoKα","","0.1589","0.0806","","0.2522","0.1681","","","","1.024","1.011","1.011","","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4322143","12.214","0.002","15.296","0.002","20.945","0.006","90","","90","","90","","3913.1","1.4","153","2","153","2","","","","","","","synthesized","5","P 21 21 21","P 2ac 2ab","19","","Pentachloro-tris(tripropylphosphine)-di-rhenium (II,III), 1,3,6-isomer","","- C27 H63 Cl5 P3 Re2 -","- C27 H63 Cl5 P3 Re2 -","- C108 H252 Cl20 P12 Re8 -","4","1","","F. Albert Cotton; Evgeny V. Dikarev; Marina A. Petrukhina","Mixed Chloride/Phosphine Complexes of the Dirhenium Core. 5. Reduction or Disproportionation at the Re26+ Unit in Reactions with Tertiary Phosphines in Different Solvents","Inorganic Chemistry","1999","38","","3384","3389","10.1021/ic990114f","","","0.71073","MoKα","","0.0661","0.0526","","0.1313","0.1231","","","","1.091","1.086","1.086","","","","","has coordinates,has disorder","179324","2020-10-21","18:00:00",""
"4322188","10.649","0.002","11.737","0.003","13.364","0.004","90","","90","","90","","1670.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N4 P -","- C18 H17 N4 P -","- C72 H68 N16 P4 -","4","1","","Robert T. Paine; Wolfgang Koestle; Theodore T. Borek; Gary L. Wood; Eugene A. Pruss; Eileen N. Duesler; Michael A. Hiskey","Synthesis, Characterization, and Explosive Properties of the Nitrogen-Rich Borazine [H3N3B3(N3)3]","Inorganic Chemistry","1999","38","","3738","3743","10.1021/ic990316b","","","0.71073","MoKα","","0.0521","0.0334","","0.0532","","0.0509","","","0.888","","","1.016","","","","has coordinates","179324","2020-10-21","18:00:00",""
"4322210","9.588","0.001","17.364","0.003","24.378","0.003","90","","90","","90","","4058.6","1","293","2","293","2","","","","","","","G.Speier (Univ. of Veszpr\'em)","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H39 Cu O3 P2 -","- C51 H39 Cu O3 P2 -","- C204 H156 Cu4 O12 P8 -","4","1","","Éva Balogh-Hergovich; József Kaizer; Gábor Speier; Vilmos Fülöp; László Párkányi","Quercetin 2,3-Dioxygenase Mimicking Ring Cleavage of the Flavonolate Ligand Assisted by Copper. Synthesis and Characterization of Copper(I) Complexes [Cu(PPh~3~)~2~(fla)] (fla = Flavonolate) and [Cu(PPh~3~)~2~(O-bs)] (O-bs = O-Benzoylsalicylate)","Inorganic Chemistry","1999","38","","3787","3795","10.1021/ic990175d","","","1.54184","CuKa","","0.1038","0.0496","","0.1419","0.1238","","","","1.007","1.142","1.142","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4322240","16.005","0.005","20.859","0.008","24.328","0.004","90","","90","","90","","8122","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H119.3 Co N14 O30.65 P S -","- C62 H104 Co N14 O30.65 P S -","- C248 H416 Co4 N56 O122.6 P4 S4 -","4","1","","Lucio Randaccio; Silvano Geremia; Giorgio Nardin; Miroslav Šlouf; Ivana Srnova","Crystal Chemistry of Cobalamins. Structural Characterization of the Co-S Bond in Cobalamins","Inorganic Chemistry","1999","38","","4087","4092","10.1021/ic9903376","","","0.8","","","0.0581","0.0535","","0.1535","0.1498","","","","1.052","1.079","1.079","","","","","has coordinates","179325","2020-10-21","18:00:00",""
"4322241","15.699","0.014","22.32","0.02","24.8","0.07","90","","90","","90","","8690","3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C63 H112.8 Cl Co N15 O24.4 P S -","- C63 H77 Cl Co N15 O24.4 P S -","- C252 H308 Cl4 Co4 N60 O97.6 P4 S4 -","4","1","","Lucio Randaccio; Silvano Geremia; Giorgio Nardin; Miroslav Šlouf; Ivana Srnova","Crystal Chemistry of Cobalamins. Structural Characterization of the Co-S Bond in Cobalamins","Inorganic Chemistry","1999","38","","4087","4092","10.1021/ic9903376","","","1","","","0.1156","0.1129","","","0.3183","0.3265","","","","","","1.58","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4322376","12.173","0.002","13.319","0.003","20.512","0.004","90","","90","","90","","3325.7","1.1","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","compound 2","","- C26 H44 Al2 F2 O14 -","- C26 H44 Al2 F2 O14 -","- C104 H176 Al8 F8 O56 -","4","1","","Carsten Rennekamp; Helge Wessel; Herbert W. Roesky; Peter Müller; Hans-Georg Schmidt; Mathias Noltemeyer; Isabel Usón; Andrew R. Barron","An Alternative Approach to Al202 Ring Systems by Unexpected Cleavage of Stable Al-F- and Si-O- Bonds","Inorganic Chemistry","1999","38","","5235","5240","10.1021/ic990185e","","","0.71073","MoKα","","0.0839","0.0657","","0.1807","0.1623","","","","1.076","1.104","1.104","","","","","has coordinates","179326","2020-10-21","18:00:00",""
"4322458","14.683","0.012","11.83","0.007","16.96","0.008","90","","90","","90","","2946","3","223","","223","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","LiBH4*PMDTA","","- C9 H27 B Li N3 -","- C9 H27 B Li N3 -","- C72 H216 B8 Li8 N24 -","8","2","","Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold","Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate","Inorganic Chemistry","1999","38","","4188","4196","10.1021/ic990205c","","","0.71073","MoKα","","0.1896","0.0855","","0.2948","0.203","","","","1.023","1.107","1.107","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4322463","13.8223","0.0002","14.6926","0.0002","18.6259","0.0002","90","","90","","90","","3782.65","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 Cs O6 P -","- C36 H50 Cs O6 P -","- C144 H200 Cs4 O24 P4 -","4","1","","Gerd W. Rabe; Louise M. Liable-Sands; Christopher D. Incarvito; Kin-Chung Lam; Arnold L. Rheingold","Highly Restricted Dimensionality in Cesium Aryl Phosphides","Inorganic Chemistry","1999","38","","4342","4346","10.1021/ic9902119","","","0.71073","MoKα","","0.0478","0.0397","","","0.1006","0.1063","","","","","","1.697","","","","has coordinates","179327","2020-10-21","18:00:00",""
"4322496","11.469","0.002","13.933","0.002","16.778","0.003","90","","90","","90","","2681.1","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","μ~4~oxo-hexaμ~2~chloro tetrakisimidazole tetracopper(II) methanol = solvate","","- C9.83 H19.32 Cl Cu4 N6 O1.83 -","- C12.83 H19.32 Cl6 Cu4 N8 O1.83 -","- C51.32 H77.28 Cl24 Cu16 N32 O7.32 -","4","1","","Ana María Atria; Andrés Vega; Martín Contreras; Jorge Valenzuela; Evgenia Spodine","Magnetostructural Characterization of μ4-Oxohexa-μ2-chlorotetrakis(imidazole)copper(II)","Inorganic Chemistry","1999","38","","5681","5685","10.1021/ic990389v","","","0.71073","MoKα","","0.0458","0.0322","","","0.0695","0.0734","","","","","","0.933","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322519","9.222","0.002","10.177","0.002","27.976","0.006","90","","90","","90","","2625.6","1","198","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H41 O8 Pt3 Re -","- C16 H41 O8 Pt3 Re -","- C64 H164 O32 Pt12 Re4 -","4","1","","Udo Brand; Chris A. Wright; John R. Shapley","Synthesis and Characterization of {Re(CO)3}4-n{PtMe3}n(OH)4, (n= 1-3). A Set of Heterobimetallic Hydroxy Cubane Complexes","Inorganic Chemistry","1999","38","","5910","5912","10.1021/ic9906914","","","0.71073","MoKα","","0.0579","0.051","","0.1198","0.1186","","","","1.103","1.197","1.197","","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322541","7.158","0.001","7.235","0.001","17.532","0.004","90","","90","","90","","907.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H7 O8 P3 U -","- O8 P3 U -","- O32 P12 U4 -","4","1","","Peter A. Tanner; Thomas C. W. Mak","Synthesis, Structure, and Spectroscopy of Rare Earth Hypophosphites. 2. Uranyl Hypophosphite Monohydrate and Uranyl Hypophosphite-Hypophosphorous Acid (1/1)","Inorganic Chemistry","1999","38","","6024","6031","10.1021/ic990188r","","","0.71073","MoKα","","0.3207","0.0737","","0.1907","0.1409","","","","1.001","1.382","1.382","","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322591","10.3077","0.0006","17.1974","0.0006","17.8241","0.0013","90","","90","","90","","3159.6","0.3","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H48 F3 N4 O3 S Zn -","- C25 H48 F3 N4 O4 S Zn -","- C100 H192 F12 N16 O16 S4 Zn4 -","4","1","","Evelien Rijnberg; Bodo Richter; Karl-H. Thiele; Jaap Boersma; Nora Veldman; Anthony L. Spek; Gerard van Koten","A Homologous Series of Homoleptic Zinc Bis(1,4-di-tert-butyl-1,4-diaza-1,3-butadiene) Complexes: Kx[Zn(t-BuNCHCHN-t-Bu)2], Zn(t-BuNCHCHN-t-Bu)2, and [Zn(t-BuNCHCHN-t-Bu)2](OTf)x (x = 1, 2)","Inorganic Chemistry","1998","37","","56","63","10.1021/ic970698q","","","0.71073","MoKα","","0.0694","0.0483","","0.1063","0.0981","","","","1.04","1.073","1.073","","","","","has coordinates","179328","2020-10-21","18:00:00",""
"4322606","7.659","0.003","22.366","0.003","23.688","0.002","90","0","90","0","90","0","4057.8","1.7","290","","290","","","","","","","","synthesis","6","P 21 21 21","P 2ac 2ab","19","","(mu-oxo)bis(mu-acetato)hexa(1-methylimidazole) diruthenium(III) diperchlorate","","- C28 H42 Cl2 N12 O13 Ru2 -","- C28 H42 Cl2 N12 O13 Ru2 -","- C112 H168 Cl8 N48 O52 Ru8 -","4","1","","Chellamma Sudha; Sisir K. Mandal; Akhil R. Chakravarty","Synthesis, X-ray Structures, and Spectroscopic and Electrochemical Properties of (μ-Oxo)bis(μ-carboxylato)diruthenium Complexes Having Six Imidazole Bases as Terminal Ligands","Inorganic Chemistry","1998","37","","270","278","10.1021/ic970390z","","","0.7107","MoKα","","","0.0475","","","","0.0467","","","","","","","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4322638","12.606","0.001","12.618","0.001","24.221","0.003","90","","90","","90","","3852.7","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H66 B2 N2 P4 Pd -","- C30 H66 B2 N2 P4 Pd -","- C120 H264 B8 N8 P16 Pd4 -","4","1","","Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth","Formation of Cage Compounds Containing Boron, Phosphorus, and Transition Metal Atoms","Inorganic Chemistry","1998","37","","490","495","10.1021/ic970965s","","","0.71073","MoKα","","0.0947","0.0396","","0.0792","0.0658","","","","1.022","1.224","1.224","","","","","has coordinates,has Fobs","179329","2020-10-21","18:00:00",""
"4322747","15.814","0.002","17.855","0.003","17.997","0.005","90","","90","","90","","5081.6","1.8","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 B N7 O6 S Tc -","- C20 H27 B N7 O6 S Tc -","- C160 H216 B8 N56 O48 S8 Tc8 -","8","2","","S. Jurisson; M.M. Halihan; J.D. Lydon; C.L. Barnes; D.P. Nowotnik; A.D. Nunn","Linkage Isomerization of MSCN(CDOH)2(CDO)BMe to MNCS(CDOH)2(CDO)BMe (M = Tc, Re). Crystal Structures of TcNCS(CDOH)2(CDO)BMe, ReNCS(CDOH)2(CDO)BMe, and ReSCN(CDOH)2(CDO)BMe","Inorganic Chemistry","1998","37","","1922","1928","10.1021/ic971145i","","","1.54056","CopperKα","","0.054","0.054","","0.057","0.057","","","","","1.55","1.55","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322748","15.7952","0.001","17.843","0.002","18.014","0.003","90","","90","","90","","5077","1.1","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 B N7 O6 Re S -","- C20 H27 B N7 O6 Re S -","- C160 H216 B8 N56 O48 Re8 S8 -","8","2","","S. Jurisson; M.M. Halihan; J.D. Lydon; C.L. Barnes; D.P. Nowotnik; A.D. Nunn","Linkage Isomerization of MSCN(CDOH)2(CDO)BMe to MNCS(CDOH)2(CDO)BMe (M = Tc, Re). Crystal Structures of TcNCS(CDOH)2(CDO)BMe, ReNCS(CDOH)2(CDO)BMe, and ReSCN(CDOH)2(CDO)BMe","Inorganic Chemistry","1998","37","","1922","1928","10.1021/ic971145i","","","1.54056","CopperKα","","0.054","0.054","","0.073","0.073","","","","","2.46","2.46","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322761","7.233","0.001","15.159","0.002","25.591","0.002","90","0.001","90","0.001","90","0.001","2805.9","0.6","293","2","293","2","","","","","","","Synthetic route","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Cl Mn N4 O2 -","- C28 H38 Cl Mn N4 O2 -","- C112 H152 Cl4 Mn4 N16 O8 -","4","1","","Géraldine Lenoble; Pascal G. Lacroix; Jean-Claude Daran; Santo Di Bella; Keitaro Nakatani","Syntheses, Crystal Structures, and NLO Properties of New Chiral Inorganic Chromophores for Second-Harmonic Generation","Inorganic Chemistry","1998","37","","2158","2165","10.1021/ic970481w","","","0.71073","MoKα","","","0.0462","","","0.0558","","","","","0.9812","0.9812","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4322779","9.032","0.008","11.29","0.008","17.329","0.01","90","","90","","90","","1767","2","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H20 As In N6 Se4 -","- C6 H20 As In N6 Se4 -","- C24 H80 As4 In4 N24 Se16 -","4","1","","Donna M. Smith; Michael A. Pell; James A. Ibers","Se22-, Se52-, and Se72- Ligands in [NEt4]2[As2Se6], [enH][AsSe6].2.2.2-cryptand, [NEt4][AsSe8], and [(en)2In(SeAs(Se)Se2)].en","Inorganic Chemistry","1998","37","","2340","2343","10.1021/ic971181h","","","0.7093","","","0.1253","0.0712","","0.147","0.1313","","","","1.101","","","","","","","has coordinates","179330","2020-10-21","18:00:00",""
"4322800","13.488","0.002","13.7357","0.0011","35.913","0.003","90","","90","","90","","6653.5","1.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H45 N5 O8.5 W -","- C27 H45 N5 O8.5 W -","- C216 H360 N40 O68 W8 -","8","2","","Donald J. Darensbourg; Jennifer D. Draper; David L. Larkins; Brian J. Frost; Joseph H. Reibenspies","Organometallic Derivatives of Orotic Acid. CO-Labilizing Ability of the Amido Group in Chromium and Tungsten Carbonyl Complexes","Inorganic Chemistry","1998","37","","2538","2546","10.1021/ic980233f","","","0.71073","MoKα","","0.1148","0.0535","","0.2443","0.1207","","","","1.01","0.882","0.882","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4322863","13.283","0.005","16.05","0.009","20.996","0.01","90","","90","","90","","4476","4","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","{[(BispicMe2en)Fe]2(OH)(mu-O)(H2O),(ClO4)3,(H2O)","","","- C32 H49 Cl3 Fe2 N8 O16 -","- C32 H48 Cl3 Fe2 N8 O16 -","- C128 H192 Cl12 Fe8 N32 O64 -","4","1","","Sandrine Poussereau; Geneviève Blondin; Michèle Cesario; Jean Guilhem; Geneviève Chottard; Florence Gonnet; Jean-Jacques Girerd","Synthesis, Structure, and Characterization of the New [L(OH)Fe(μ-O)Fe(OH2)L]3+ Complex (L = N,N'-Dimethyl-N,N'-bis(2-pyridylmethyl)ethane-1,2-diamine). Detection of an Equilibrium with the Protonated Diamond Form [LFe(μ-O)(μ-OH)FeL]3+ in Acetonitrile","Inorganic Chemistry","1998","37","","3127","3132","10.1021/ic971589e","","","0.7107","MoKα","","0.1375","0.0566","","0.1842","0.1414","","","","1.008","1.104","1.104","","","","","has coordinates","179331","2020-10-21","18:00:00",""
"4322899","6.4261","0.0002","12.4119","0.0002","21.5447","0.0004","90","","90","","90","","1718.41","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H26 K O P Si2 -","- C10 H26 K O P Si2 -","- C40 H104 K4 O4 P4 Si8 -","4","1","","Ulrich Englich; Karl Hassler; Karin Ruhlandt-Senge; Frank Uhlig","A Convenient Synthetic Strategy toward Heavy Alkali Metal Bis(trimethylsilyl)phosphides: Crystal Structures of the Ladder-Type Polymers [A(thf)P(SiMe3)2]∞(A = K, Rb, Cs)","Inorganic Chemistry","1998","37","","3532","3537","10.1021/ic9801950","","","0.71073","MoKα","","0.0351","0.0302","","0.0676","0.066","","","","1.012","1.04","1.04","","","","","has coordinates","179331","2020-10-21","18:00:00",""
"4322900","6.5338","0.0002","12.5664","0.0003","21.5537","0.0005","90","","90","","90","","1769.7","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H26 O P Rb Si2 -","- C10 H26 O P Rb Si2 -","- C40 H104 O4 P4 Rb4 Si8 -","4","1","","Ulrich Englich; Karl Hassler; Karin Ruhlandt-Senge; Frank Uhlig","A Convenient Synthetic Strategy toward Heavy Alkali Metal Bis(trimethylsilyl)phosphides: Crystal Structures of the Ladder-Type Polymers [A(thf)P(SiMe3)2]∞(A = K, Rb, Cs)","Inorganic Chemistry","1998","37","","3532","3537","10.1021/ic9801950","","","0.71073","MoKα","","0.0776","0.0554","","0.1309","0.1223","","","","0.975","1.052","1.052","","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4322955","10.6222","0.0015","12.442","0.003","16.354","0.003","90","","90","","90","","2161.4","0.7","150","","150","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N2 O5 Re -","- C24 H23 N2 O5 Re -","- C96 H92 N8 O20 Re4 -","4","1","","Kjeld J. C. van Bommel; Willem Verboom; Huub Kooijman; Anthony L. Spek; David N. Reinhoudt","Rhenium(V)-Salen Complexes: Configurational Control and Ligand Exchange","Inorganic Chemistry","1998","37","","4197","4203","10.1021/ic980125t","","","0.71073","MoKα","","0.0497","0.0371","","","0.07","0.0746","","","","","","1.041","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4322994","6.4035","0.001","8.636","0.002","27.161","0.005","90","","90","","90","","1502","0.5","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H19 B F4 O5 Pt -","- C9 H19 B F4 O5 Pt -","- C36 H76 B4 F16 O20 Pt4 -","4","1","","Henrik Junicke; Clemens Bruhn; Dieter Ströhl; Ralph Kluge; Dirk Steinborn","The First Platinum(IV) Complexes with Glucopyranoside Ligands. A New Coordination Mode of Carbohydrates","Inorganic Chemistry","1998","37","","4603","4606","10.1021/ic9801692","","","0.71073","MoKα","","0.0342","0.0307","","0.0792","0.0776","","","","1.008","1.036","1.036","","","","","has coordinates","179332","2020-10-21","18:00:00",""
"4323049","15.468","0.005","22.588","0.008","23.561","0.004","90","","90","","90","","8232","4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","Chlorocobalamine","","","- C62 H103 Cl3 Co Li2 N13 O21.5 P -","- C62 H94.866 Cl3 Co Li2 N13 O21.5 P -","- C248 H379.464 Cl12 Co4 Li8 N52 O86 P4 -","4","1","","Lucio Randaccio; Michela Furlan; Silvano Geremia; Miroslav Slouf","Preparation and X-ray Analysis of Crystals of Azido- and Chlorocobalamin Containing LiCl: A Structural Model for the Interactions of the Corrin Ring with Ionic Species","Inorganic Chemistry","1998","37","","5390","5393","10.1021/ic980181u","","","0.8","synchrotron","","0.0489","0.0486","","","0.1462","0.1467","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4323050","15.434","0.001","22.679","0.001","23.45","0.001","90","","90","","90","","8208.1","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","Azidocobalamine","","","- C62 H106.6 Cl2 Co Li2 N16 O23.3 P -","- C62 H98.662 Cl2 Co Li2 N16 O23.3 P -","- C248 H394.648 Cl8 Co4 Li8 N64 O93.2 P4 -","4","1","","Lucio Randaccio; Michela Furlan; Silvano Geremia; Miroslav Slouf","Preparation and X-ray Analysis of Crystals of Azido- and Chlorocobalamin Containing LiCl: A Structural Model for the Interactions of the Corrin Ring with Ionic Species","Inorganic Chemistry","1998","37","","5390","5393","10.1021/ic980181u","","","0.8","synchrotron","","0.0519","0.0513","","","0.145","0.1457","","","","","","1.098","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4323054","16.623","0.002","16.808","0.002","38.103","0.006","90","","90","","90","","10646","2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C100 H160 Eu4 O20 -","- C97 H122 Eu4 O20 -","- C388 H488 Eu16 O80 -","4","1","","William J. Evans; Michael A. Greci; Joseph W. Ziller","Utility of 2-Methoxyethanol in the Synthesis of Polyeuropium Complexes: {[Eu(OCH2CH2OMe)2(OC6H3R2-2,6)-][H+]}4 (R = Me,iPr) and [EuAl2(OCH2CH2OMe)3Me5]2","Inorganic Chemistry","1998","37","","5221","5226","10.1021/ic9803311","","","0.71073","MoKα","","0.1559","0.1043","","0.3038","0.2624","","","","1.083","1.154","1.154","","","","","has coordinates","179333","2020-10-21","18:00:00",""
"4323089","9.7","0.002","12.836","0.003","36.228","0.003","90","","90","","90","","4510.7","1.5","293","2","293","2","","","","","","","Compound has been synthesised, purified and crystallized in the laboratory.","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 N4 O14 P Re2 S4 -","- C36 H40 N4 O14 P Re2 S4 -","- C144 H160 N16 O56 P4 Re8 S16 -","4","1","","Mita Chatterjee; Basudeb Achari; Satyabrata Das; Rahul Banerjee; Chandana Chakrabarti; Jiban K. Dattagupta; Somenath Banerjee","Oxorhenium(V) and Oxotechnetium(V) Complexes of Cysteine","Inorganic Chemistry","1998","37","","5424","5430","10.1021/ic970577q","","","1.5418","CuKa","","0.0652","0.0638","","0.1694","0.1679","","","","0.775","0.782","0.782","","","","","has coordinates","179333","2020-10-21","18:00:00",""
"4323161","19.247","0.005","19.521","0.004","19.757","0.004","90","","90","","90","","7423","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C79 H66 Cl6 O10 P4 Pd2 -","- C79 H64 Cl6 O10 P4 Pd2 -","- C316 H256 Cl24 O40 P16 Pd8 -","4","1","","Larry R. Falvello; Susana Fernández; Rafael Navarro; Angel Rueda; Esteban P. Urriolabeitia","Synthesis and Structure of PdII Complexes Containing the C,C-Chelating Bis-Ylide Ligand [Ph3PC(H)]2CO. X-ray Crystal Structure of {Pd(μ-Cl){[C(H)PPh3]2CO}}2(ClO4)2.CH2Cl2","Inorganic Chemistry","1998","37","","6007","6013","10.1021/ic980392z","","","0.71073","MoKα","","0.105","0.0579","","","0.1223","0.1413","","","","","","1.036","","","","has coordinates,has disorder","179334","2020-10-21","18:00:00",""
"4323166","16.32","0.005","20.671","0.006","15.276","0.004","90","0","90","0","90","0","5153","3","25","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H81 Co Li N4 O4 -","- C62 H44 Co Li N4 O5 -","- C248 H176 Co4 Li4 N16 O20 -","4","1","","Raffaella Crescenzi; Euro Solari; Carlo Floriani; Angiola Chiesi-Villa; Corrado Rizzoli","The Intra- and Intermolecular Oxidative Coupling of Ni(II)-meso-Octaethyl Mono(pyridine)-Tris(pyrrole) Complex Leading to CC Bonds: Pathways to Oligomeric Porphyrinogens","Inorganic Chemistry","1998","37","","6044","6051","10.1021/ic9806378","","","0.71069","MoKa","","0.2428","0.0634","","0.3154","0.1561","","","","0.925","1.176","1.176","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323189","13.615","0.002","13.623","0.002","36.042","0.005","90","","90","","90","","6685","1.7","183","","183","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H94 Cl3 N O4 Zr2 -","- C66 H78 Cl3 N O4 Zr2 -","- C264 H312 Cl12 N4 O16 Zr8 -","4","1","","David L. Clark; Damon R. Click; Steven K. Grumbine; Brian L. Scott; John G. Watkin","Mono(pentamethylcyclopentadienyl)titanium and -zirconium Complexes Supported by Chiral Diolate Ligands. X-ray Crystal Structures of [(η-C5Me5)TiCl(μ-η1,η1-2-CF3-dpbd)]2 and [HNEt3][(η-C5Me5)2Zr2Cl2(μ-Cl)(μ-η1,η2-3,5-Me2-dpbd)2]","Inorganic Chemistry","1998","37","","6237","6243","10.1021/ic980645o","","","0.71073","MoKα","","0.1313","0.0679","","0.1997","0.1542","","","","0.949","0.978","0.978","","","","","has coordinates","256254","2020-10-21","18:00:00",""
"4323209","13.761","0.006","27.019","0.006","9.475","0.006","90","","90","","90","","3523","3","23","","23","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H34 Cl2 Fe Ni P2 S2 -","- C148 H136 Cl8 Fe4 P8 Pd4 S8 -","- C148 H136 Cl8 Fe4 P8 Pd4 S8 -","","","","Shin Takemoto; Shigeki Kuwata; Yoshiaki Nishibayashi; Masanobu Hidai","Synthesis of Heterobimetallic Fe-M (M = Ni, Pd, Pt) Complexes Containing the 1,1'-Ferrocenedithiolato Ligand and Their Conversion to Trinuclear Complexes","Inorganic Chemistry","1998","37","","6428","6434","10.1021/ic9806129","","","0.7107","MoKalpha","","","0.03","","","0.022","","","","","1.92","1.92","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323297","7.28","0.001","20.642","0.004","22.365","0.004","90","","90","","90","","3360.9","1","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 Bi2 Fe3 N2 O9 -","- C25 H40 Bi2 Fe3 N2 O9 -","- C100 H160 Bi8 Fe12 N8 O36 -","4","1","","Jeffrey R. Eveland; Jean-Yves Saillard; Kenton H. Whitmire","Effect of Hybridization on Structure and Bonding of Cluster Compounds Possessing a Square-Pyramidal Fe3(CO)9E2 Core (E = Element of Group 15 or 16)","Inorganic Chemistry","1997","36","","330","334","10.1021/ic960243l","","","0.71069","MoKα","","0.1222","0.068","","0.2205","0.1744","","","","1.012","1.008","1.008","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323299","9.462","0.002","11.13","0.003","30.228","0.006","90","","90","","90","","3183.4","1.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H32 I8 P2 -","- C14 H32 I8 P2 -","- C56 H128 I32 P8 -","4","1","","Volkmar Stenzel; Jörg Jeske; Wolf-Walther du Mont; Peter G. Jones","Supramolecular Soft-Soft Interactions of Diiodo(tert-butyl)(isopropyl)phosphonium Cations with μ~2~- to μ~5~-Bridging Iodide Anions. Formation of Chains, Helices, and Columnar Structures","Inorganic Chemistry","1997","36","","443","448","10.1021/ic9603058","","","0.71073","MoKα","","0.0597","0.0418","","0.109","0.0995","","","","0.989","1.01","1.01","","","","","has coordinates","179335","2020-10-21","18:00:00",""
"4323344","12.229","0.001","12.79","0.001","20.215","0.001","90","","90","","90","","3161.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Chiragen[3]","1,3-Bis([4,5]-pinenyl-2,2'-bipyridine)-propane","","- C37 H40 N4 O -","- C37 H40 N4 O -","- C148 H160 N16 O4 -","4","1","","Nicholas C. Fletcher; F. Richard Keene; Heiko Viebrock; Alex von Zelewsky","Molecular Architecture of Polynuclear Ruthenium Bipyridyl Complexes with Controlled Metal Helicity","Inorganic Chemistry","1997","36","","1113","1121","10.1021/ic960948n","","","0.71073","MoKα","","0.1187","0.0554","","0.1344","0.113","","","","0.937","1.111","1.111","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323355","15.083","0.005","16.391","0.005","6.351","0.004","90","","90","","90","","1570.1","1.2","20","","20","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Co Cr O5 -","- C64 H36 Co4 Cr4 O20 -","- C64 H36 Co4 Cr4 O20 -","","","","Changtao Qian; Jianhua Guo; Jie Sun; Jian Chen; Peiju Zheng","Heterobimetallic Complexes with Phenylcyclopentadienyl Ligand: Syntheses and Structures of Tricarbonylchromium-η6,η5-Phenylcyclopentadienyl-Transition Metal Complexes1","Inorganic Chemistry","1997","36","","1286","1295","10.1021/ic951630i","","","0.7107","MoKalpha","","","0.036","","","0.039","","","","","1.49","1.49","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323360","12.449","0.002","17.583","0.003","23.111","0.003","90","","90","","90","","5058.8","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H42 Cl5 Hg2 N2 O5 P3 -","- C46 H42 Cl5 Hg2 N2 O5 P3 -","- C184 H168 Cl20 Hg8 N8 O20 P12 -","4","1","","Dietrich Gudat; Martin Nieger; Martin Schrott","Reactions of Bis(triphenylphosphonio)isophosphindolide Salts with Mercury(II) Compounds: Coordination Induced Addition and Oxidation Reactions and Synthesis of a Monomeric 1:1 Complex of the Type [R2(R'O)P]HgBr2","Inorganic Chemistry","1997","36","","1476","1481","10.1021/ic960883o","","","0.71073","MoKα","","0.0764","0.045","","0.1028","0.097","","","","0.889","0.993","0.993","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323367","8.552","0.001","10.772","0.002","19.716","0.003","90","","90","","90","","1816.3","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Cl2 N Os S4 -","- C14 H13 Cl2 N Os S4 -","- C56 H52 Cl8 N4 Os4 S16 -","4","1","","Dieter Sellmann; Michael W. Wemple; Wolfgang Donaubauer; Frank W. Heinemann","Synthesis, Structure, and Reactivity of Ruthenium and Osmium Nitrido Complexes with 1,2-Benzenedithiolate Ligands: N- versus S-Alkylation","Inorganic Chemistry","1997","36","","1397","1402","10.1021/ic961240b","","","0.71073","MoKα","","0.0396","0.0362","","0.0848","0.0843","","","","0.962","1.02","1.02","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323375","15.924","0.005","18.392","0.007","29.384","0.007","90","","90","","90","","8606","5","293.2","","293.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[T-4-[(R-(R~*~,R~*~)]]-Λ-(‒)-bis(1,1,4,7,10,10-hexaphenyl-1,4,7,10- tetraphosphadecane)digold(I) hexafluorophosphate dichloromethane-solvate","","- C85 H86 Au2 Cl2 F12 P10 -","- C85 H86 Au2 Cl2 F12 P10 -","- C340 H344 Au8 Cl8 F48 P40 -","4","1","","Anthea L. Airey; Gerhard F. Swiegers; Anthony C. Willis; S. Bruce Wild","Self-Assembly of Homochiral Double Helix and Side-by-Side Helix Conformers of Double-Stranded Disilver(I)- and Digold(I)-Tetra(tertiary phosphine) Helicates","Inorganic Chemistry","1997","36","","1588","1597","10.1021/ic9610344","","","0.7107","MoKα","","","0.035","","","0.022","","","","","1.22","1.22","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323381","16.56","0.005","17.063","0.005","24.428","0.005","90","","90","","90","","6902","3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C64 H70 N8 O11 P4 Pd Pt S2 -","- C64 H56 N8 O11 P4 Pd Pt S2 -","- C256 H224 N32 O44 P16 Pd4 Pt4 S8 -","4","1","","Enrique Colacio; Rafael Cuesta; Mustapha Ghazi; M. Angeles Huertas; Jose M. Moreno; Antonio Navarrete","Metal-Purine Interactions: Homo- and Heterodinuclear Platinum(II) and/or Palladium(II) Complexes of 8-Thiotheophylline. Crystal Structures of [Pt(μ-TT)(dppm)]2.2DMSO and [(dppm)Pt(μ-TT)2Pd(dppm)].7H2O","Inorganic Chemistry","1997","36","","1652","1656","10.1021/ic961288p","","","0.71069","MoKα","","0.0531","0.042","","0.1557","0.1071","","","","0.883","0.851","0.851","","","","","has coordinates","179336","2020-10-21","18:00:00",""
"4323394","16.041","0.011","21.936","0.015","25.43","0.016","90","","90","","90","","8948","10","295","2","295","2","","","","","","","Brown (Ohio University)","6","P 21 21 21","P 2ac 2ab","19","Cyanocobalamin 8-butanamide","Cyanocobalamin 8-butanamide hydrate","","- C64 H127 Co N12 O31 P -","- C65 H87 Co N13 O38 P -","- C260 H348 Co4 N52 O152 P4 -","4","1","","Kenneth L. Brown; Shifa Cheng; Jeffrey D. Zubkowski; Edward J. Valente","Side Chain Entropy and the Activation of Organocobalamins for Carbon-Cobalt Bond Homolysis: Synthesis, Characterization, and Thermolysis of the Neopentyl Derivative of a Unique Cobalamin Analog Lacking a c Side Chain","Inorganic Chemistry","1997","36","","1772","1781","10.1021/ic961378u","","","0.71073","MoKα","","0.1147","0.0554","","0.1207","0.1083","","","","0.713","1.137","1.137","","","","","has coordinates,has disorder","179336","2020-10-21","18:00:00",""
"4323445","11.269","0.003","15.104","0.002","23.177","0.004","90","","90","","90","","3944.9","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[2(S),3(S)-Bis(diphenylphosphino)butane-(eta-5-cyclopentadienyl)-(methyl-ph= enyl-sulfide)-ruthenium]hexafluorophosphate","","- C40 H41 F6 P3 Ru S -","- C40 H41 F6 P3 Ru S -","- C160 H164 F24 P12 Ru4 S4 -","4","1","","Wolfdieter A. Schenk; Jürgen Frisch; Michael Dürr; Nicolai Burzlaff; Dietmar Stalke; Roland Fleischer; Waldemar Adam; Frank Prechtl; Alexander K. Smerz","Oxidation of Thioether Ligands in Pseudotetrahedral Cyclopentadienylruthenium Complexes: Toward a New Stereoselective Synthesis of Chiral Sulfoxides1","Inorganic Chemistry","1997","36","","2372","2378","10.1021/ic961280f","","","0.7093","MoKα","","0.2626","0.0713","","0.1421","0.0974","","","","1.037","1.137","1.137","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323446","14.1664","0.0013","15.792","0.002","17.641","0.002","90","","90","","90","","3946.6","0.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[2(S),3(S)-Bis(diphenylphosphino)butane-(eta-5-cyclopentadienyl)-(methyl-ph= enyl-sulfoxide)-ruthenium]hexafluorophosphate","","- C40 H41 F6 O P3 Ru S -","- C40 H41 F6 O P3 Ru S -","- C160 H164 F24 O4 P12 Ru4 S4 -","4","1","","Wolfdieter A. Schenk; Jürgen Frisch; Michael Dürr; Nicolai Burzlaff; Dietmar Stalke; Roland Fleischer; Waldemar Adam; Frank Prechtl; Alexander K. Smerz","Oxidation of Thioether Ligands in Pseudotetrahedral Cyclopentadienylruthenium Complexes: Toward a New Stereoselective Synthesis of Chiral Sulfoxides1","Inorganic Chemistry","1997","36","","2372","2378","10.1021/ic961280f","","","0.7093","MoKα","","0.0792","0.05","","0.1449","0.1281","","","","1.058","1.056","1.056","","","","","has coordinates,has disorder","179337","2020-10-21","18:00:00",""
"4323447","12.069","0.002","17.379","0.002","19.76","0.005","90","","90","","90","","4144.6","1.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","[2(S),3(S)-Bis(diphenylphosphino)butane-(eta-5-cyclopentadienyl)- (methyl-isopropyl-sulfoxide)-ruthenium]hexafluorophosphate","","- C37.93 H44.86 Cl2.86 F6 O P3 Ru S -","- C37.93 H44.86 Cl1.86 F6 O P3 Ru S -","- C151.72 H179.44 Cl7.44 F24 O4 P12 Ru4 S4 -","4","1","","Wolfdieter A. Schenk; Jürgen Frisch; Michael Dürr; Nicolai Burzlaff; Dietmar Stalke; Roland Fleischer; Waldemar Adam; Frank Prechtl; Alexander K. Smerz","Oxidation of Thioether Ligands in Pseudotetrahedral Cyclopentadienylruthenium Complexes: Toward a New Stereoselective Synthesis of Chiral Sulfoxides1","Inorganic Chemistry","1997","36","","2372","2378","10.1021/ic961280f","","","0.7093","MoKα","","0.0894","0.0476","","0.1802","0.1365","","","","1.095","0.991","0.991","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323478","9.713","0.003","9.8535","0.0014","13.31","0.003","90","","90","","90","","1273.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 8","","","- C12 H12 As Cl2 N -","- C12 H12 As Cl2 N -","- C48 H48 As4 Cl8 N4 -","4","1","","Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Smuruthi Kamepalli; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Group 15 Aryl Halides","Inorganic Chemistry","1997","36","","2770","2776","10.1021/ic9701165","","","0.71073","MoKα","","0.0957","0.0695","","0.1819","0.1588","","","","1.013","1.045","1.045","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323479","9.714","0.0013","10.0196","0.0011","13.444","0.003","90","","90","","90","","1308.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 9","","","- C12 H12 Cl2 N Sb -","- C12 H12 Cl2 N Sb -","- C48 H48 Cl8 N4 Sb4 -","4","1","","Claire J. Carmalt; Alan H. Cowley; Robert D. Culp; Richard A. Jones; Smuruthi Kamepalli; Nicholas C. Norman","Synthesis and Structures of Intramolecularly Base-Coordinated Group 15 Aryl Halides","Inorganic Chemistry","1997","36","","2770","2776","10.1021/ic9701165","","","0.71073","MoKα","","0.0835","0.032","","0.0745","0.0588","","","","1.074","1.068","1.068","","","","","has coordinates","179337","2020-10-21","18:00:00",""
"4323507","15.346","0.002","18.188","0.003","12.072","0.002","90","0","90","0","90","0","3369.5","0.9","25","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H32 Cl2 N P2 Rh -","- C39 H32 Cl2 N P2 Rh -","- C156 H128 Cl8 N4 P8 Rh4 -","4","1","","William Lesueur; Euro Solari; Carlo Floriani; Angiola Chiesi-Villa; Corrado Rizzoli","A Bidentate Bisphosphine Functioning in Intramolecular Aliphatic Metalation and as an NMR Spectroscopic Probe for the Metal Coordination Environment","Inorganic Chemistry","1997","36","","3354","3362","10.1021/ic9700819","","","0.71069","MoKα","","0.1009","0.0419","","0.1665","0.1139","","","","0.852","0.938","0.938","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323526","16.235","0.033","21.853","0.046","26.755","0.081","90","","90","","90","","9492","4","294","2","294","2","","","","","","","Brown synthesis","7","P 21 21 21","P 2ac 2ab","19","10-chloro cyanocobalamin solvate","10-Chloro cyanocobalamin solvate","","- C66 H135 Cl Co N14 O39 P -","- C66 H87 Cl Co N14 O39.1 P -","- C264 H348 Cl4 Co4 N56 O156.4 P4 -","4","1","","Kenneth L. Brown; Shifa Cheng; Xiang Zou; Jeffrey D. Zubkowski; Edward J. Valente; Leanne Knapton; Helder M. Marques","Cis Effects in the Cobalt Corrins. 1. Crystal Structures of 10-Chloroaquacobalamin Perchlorate, 10-Chlorocyanocobalamin, and 10-Chloromethylcobalamin","Inorganic Chemistry","1997","36","","3666","3675","10.1021/ic9615077","","","0.71073","MoKα","","0.1966","0.0698","","0.0732","0.0504","","","","0.894","1.128","1.128","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323527","16.041","0.014","22.132","0.021","26.75","0.035","90","","90","","90","","9497","17","294","2","294","2","","","","","","","Brown synthesis","7","P 21 21 21","P 2ac 2ab","19","Methyl 10-chlorocobalamin acetone 20hydrate","Methyl 10-chlorocobalamin acetone 20hydrate","","- C63 H134 Cl Co N11 O34 P -","- C66 H101 Cl Co N13 O35 P -","- C264 H404 Cl4 Co4 N52 O140 P4 -","4","1","","Kenneth L. Brown; Shifa Cheng; Xiang Zou; Jeffrey D. Zubkowski; Edward J. Valente; Leanne Knapton; Helder M. Marques","Cis Effects in the Cobalt Corrins. 1. Crystal Structures of 10-Chloroaquacobalamin Perchlorate, 10-Chlorocyanocobalamin, and 10-Chloromethylcobalamin","Inorganic Chemistry","1997","36","","3666","3675","10.1021/ic9615077","","","0.71073","MoKα","","0.1466","0.0554","","0.1347","0.1072","","","","0.661","1.277","1.277","","","","","has coordinates,has disorder","179338","2020-10-21","18:00:00",""
"4323540","11.622","0.002","13.283","0.005","20.666","0.007","90","","90","","90","","3190.3","1.7","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl3 N Nb O2 -","- C29 H39 Cl3 N Nb O2 -","- C116 H156 Cl12 N4 Nb4 O8 -","4","1","","Janet R. Clark; April L. Pulvirenti; Phillip E. Fanwick; Michaelis Sigalas; Odile Eisenstein; Ian P. Rothwell","Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V)","Inorganic Chemistry","1997","36","","3623","3631","10.1021/ic970331l","","","0.71073","Mo-Kα","","0.071","0.031","","","0.036","","","","","1.062","1.062","","","","","has coordinates","189827","2020-10-21","18:00:00",""
"4323541","11.648","0.002","13.273","0.003","20.624","0.006","90","","90","","90","","3188.6","1.3","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl3 N O2 Ta -","- C29 H39 Cl3 N O2 Ta -","- C116 H156 Cl12 N4 O8 Ta4 -","4","1","","Janet R. Clark; April L. Pulvirenti; Phillip E. Fanwick; Michaelis Sigalas; Odile Eisenstein; Ian P. Rothwell","Structural Distortions in Six-Coordinate Adducts of Niobium(V) and Tantalum(V)","Inorganic Chemistry","1997","36","","3623","3631","10.1021/ic970331l","","","0.71073","Mo-Kα","","0.046","0.029","","","0.036","","","","","1.114","1.114","","","","","has coordinates","189827","2020-10-21","18:00:00",""
"4323584","9.0066","0.0005","11.104","0.0006","16.0091","0.0015","90","","90","","90","","1601.06","0.19","163","","163","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl Cu N2 O7 -","- C13 H19 Cl Cu N2 O7 -","- C52 H76 Cl4 Cu4 N8 O28 -","4","1","","Nydia D. Villanueva; Jeffrey R. Bocarsly; Joseph W. Ziller","A Trapped Intermediate in the Copper(II)-Mediated Template Synthesis of an Amino Acid-Containing Ligand","Inorganic Chemistry","1997","36","","4585","4592","10.1021/ic961409l","","","0.71073","MoKα","","0.0325","0.0265","","0.0637","0.0612","","","","1.054","1.08","1.08","","","","","has coordinates","179338","2020-10-21","18:00:00",""
"4323624","13.199","0.002","25.264","0.001","31.072","0.004","90","","90","","90","","10361","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[3]-pseudorotaxane complex","","","- C102 H94 Cu2 F12 N9 O14 P2 -","- C102 H94 Cu2 F12 N9 O14 P2 -","- C408 H376 Cu8 F48 N36 O56 P8 -","4","1","","Hanadi Sleiman; Paul N. W. Baxter; Jean-Marie Lehn; Karri Airola; Kari Rissanen","Multicomponent Self-Assembly: Generation of Rigid-Rack Multimetallic Pseudorotaxanes","Inorganic Chemistry","1997","36","","4734","4742","10.1021/ic9702227","","","0.71073","MoKα","","0.1527","0.0964","","0.278","0.2422","","","","1.759","1.982","1.982","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323691","9.4635","0.0002","23.8909","0.0004","39.7436","0.0004","90","","90","","90","","8985.7","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H55 B Fe N4 O4 -","- C49 H55 B Fe N4 O4 -","- C392 H440 B8 Fe8 N32 O32 -","8","2","","Sanjay K. Mandal; Lawrence Que","Models for Amide Ligation in Nonheme Iron Enzymes","Inorganic Chemistry","1997","36","","5424","5425","10.1021/ic970541y","","","0.71073","MoKα","","0.1327","0.0634","","0.1569","0.1278","","","","0.991","1.109","1.109","","","","","has coordinates","179339","2020-10-21","18:00:00",""
"4323701","8.368","0.001","15.357","0.001","19.446","0.001","90","","90","","90","","2499","0.4","205","2","205","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Br Hg In O2 -","- C28 H28 Br Hg In O2 -","- C112 H112 Br4 Hg4 In4 O8 -","4","1","","François P. Gabbaï; Annette Schier; Jürgen Riede; Alexander Sladek; Hans W. Görlitzer","Unusual Ring Systems Containing Indium. Synthesis and Structure of the First Mercuraindacycles","Inorganic Chemistry","1997","36","","5694","5698","10.1021/ic970241g","","","0.71073","MoKα","","0.0235","0.0202","","0.048","0.0462","","","","1.068","1.07","1.07","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323714","10.812","0.004","18.567","0.005","19.316","0.007","90","","90","","90","","3878","2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H61 Li N4 O3 Si3 U -","- C29 H61 Li N4 O3 Si3 U -","- C116 H244 Li4 N16 O12 Si12 U4 -","4","1","","Paul Roussel; Peter B. Hitchcock; Nigel D. Tinker; Peter Scott","Alkoxide and Aryloxide Derivatives of a (Triamidoamine)uranium Complex","Inorganic Chemistry","1997","36","","5716","5721","10.1021/ic970856d","","","0.71073","MoKα","","0.0807","0.0478","","0.1032","0.0908","","","","1.059","1.108","1.108","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323767","8.2544","0.001","15.077","0.002","19.906","0.002","90","","90","","90","","2477.3","0.5","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H8 Ag B F18 N6 -","- C17 H8 Ag B F18 N6 -","- C68 H32 Ag4 B4 F72 N24 -","4","1","","H. V. Rasika Dias; Ziyun Wang; Wiechang Jin","Synthesis and Chemistry of [Hydrotris(3,5-bis(trifluoromethyl)pyrazolyl)borato]silver(I) Complexes","Inorganic Chemistry","1997","36","","6205","6215","10.1021/ic9712028","","","0.71073","MoKα","","0.0353","0.0298","","0.0717","0.0683","","","","1.041","1.059","1.059","","","","","has coordinates","179340","2020-10-21","18:00:00",""
"4323783","9.967","0.002","10.998","0.004","21.324","0.003","90","","90","","90","","2337.5","1","298.2","","298.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 Cl F N P Pd -","- C23 H28 Cl F N P Pd -","- C92 H112 Cl4 F4 N4 P4 Pd4 -","4","1","","Michael Pabel; Anthony C. Willis; S. Bruce Wild","First Resolution of a Free Fluorophosphine Chiral at Phosphorus. Resolution and Reactions of Free and Coordinated (\±)-Fluorophenylisopropylphosphine","Inorganic Chemistry","1996","35","","1244","1249","10.1021/ic950897e","","","0.7107","MoKalpha","","","0.031","","","0.02","","","","","2.09","2.09","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4323784","10.444","0.003","12.146","0.003","19.047","0.004","90","","90","","90","","2416.2","1","296.2","","296.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Cl N O P Pd -","- C24 H31 Cl N O P Pd -","- C96 H124 Cl4 N4 O4 P4 Pd4 -","4","1","","Michael Pabel; Anthony C. Willis; S. Bruce Wild","First Resolution of a Free Fluorophosphine Chiral at Phosphorus. Resolution and Reactions of Free and Coordinated (\±)-Fluorophenylisopropylphosphine","Inorganic Chemistry","1996","35","","1244","1249","10.1021/ic950897e","","","0.7107","MoKalpha","","","0.026","","","0.029","","","","","1.54","1.54","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4323807","16.924","0.002","17.483","0.006","20.572","0.003","90","","90","","90","","6087","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H60 Al2 B2 Cl4 N12 O2 -","- C62 H62 Al2 B2 Cl4 N12 O2 -","- C248 H248 Al8 B8 Cl16 N48 O8 -","4","1","","Donald J. Darensbourg; Ernest L. Maynard; Matthew W. Holtcamp; Kevin K. Klausmeyer; Joseph H. Reibenspies","Synthesis and X-ray Structure of the Novel Aluminum Complex [{η3-HB(3-Phpz)2(5-Phpz)}2Al][AlCl4]. Catalysis of CO2/Propylene Oxide to Propylene Carbonate by the AlCl4-Anion","Inorganic Chemistry","1996","35","","2682","2684","10.1021/ic951018r","","","0.71073","MoKα","","0.1664","0.084","","0.2585","0.2093","","","","1.042","1.135","1.135","","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4323829","11.891","0.001","12.857","0.001","14.187","0.002","90","","90","","90","","2168.9","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 N O10 Ru3 S -","- C16 H9 N O10 Ru3 S -","- C64 H36 N4 O40 Ru12 S4 -","4","1","","Georg Süss-Fink; Gerd Rheinwald; Helen Stoeckli-Evans; Carsten Bolm; Daniel Kaufmann","[(μ2-H)Ru3(CO)9{μ3-NS(O)MePh}]: An Electron-Deficient Trinuclear Cluster Containing a Chiral Sulfoximido Cap","Inorganic Chemistry","1996","35","","3081","3082","10.1021/ic960006i","","","0.71073","MoKα","","0.061","0.046","","0.0957","0.0873","","","","1.072","1.06","1.06","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323833","11.037","0.003","11.649","0.004","31.431","0.008","90","","90","","90","","4041","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 Cl2 Hg N15 P3 -","- C30 Cl2 Hg N15 P3 -","- C120 Cl8 Hg4 N60 P12 -","4","1","","Younghun Byun; Dongwon Min; Junghwan Do; Hoseop Yun; Youngkyu Do","Mono- and Dinuclear d10 Metal Complexes of Hexakis(3,5-dimethylpyrazolyl)cyclotriphosphazene. Synthesis, Structures, and Unusual Solution Dynamic Behavior","Inorganic Chemistry","1996","35","","3981","3989","10.1021/ic950907b","","","0.71073","MoKa","","0.1347","0.1162","","0.3277","0.3093","","","","1.105","1.142","1.142","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323896","6.7366","0.0005","7.4286","0.0006","21.603","0.002","90","","90","","90","","1081.09","0.16","298","2","298","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","potassium yttrium selenodiphosphate (IV)","","","- K P2 Se6 Y -","- K P2 Se6 Y -","- K4 P8 Se24 Y4 -","4","1","","John H. Chen; Peter K. Dorhout; J. E. Ostenson","A Comparative Study of Two New Structure Types. Synthesis and Structural and Electronic Characterization of K(RE)P2Se6 (RE = Y, La, Ce, Pr, Gd)","Inorganic Chemistry","1996","35","","5627","5633","10.1021/ic9516121","","","0.71073","MoKα","","0.0509","0.0402","","0.0874","0.0838","","","","1.039","1.071","1.071","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323898","5.439","0.001","8.878","0.002","13.762","0.004","90","","90","","90","","664.5","0.3","293","2","293","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","cesium copper diselenodisulfide","","","- Cs Cu S2 Se2 -","- Cs Cu S2.01 Se1.99 -","- Cs4 Cu4 S8.04 Se7.96 -","4","1","","Casey C. Raymond; Peter K. Dorhout","Synthesis, Characterization, and Bonding of Two New Heteropolychalcogenides: α-CsCu(SxSe4-x) and CsCu(SxSe6-x)","Inorganic Chemistry","1996","35","","5634","5641","10.1021/ic9516370","","","0.71073","MoKα","","0.0472","0.0395","","0.0958","0.0919","","","","1.07","1.094","1.094","","","","","has coordinates","179341","2020-10-21","18:00:00",""
"4323922","11.568","0.001","19.344","0.001","19.551","0.002","90","","90","","90","","4375","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H45 N11 O16 Rh2 -","- C34 H45 N11 O16 Rh2 -","- C136 H180 N44 O64 Rh8 -","4","1","","Michael P. Doyle; Qi-Lin Zhou; Conrad E. Raab; Gregory H. P. Roos; Stanley H. Simonsen; Vincent Lynch","Synthesis and Structures of (2,2-cis)-Dirhodium(II) Tetrakis[methyl 1-acyl-2-oxoimidazolidine-4(S)-carboxylates]. Chiral Catalysts for Highly Stereoselective Metal Carbene Transformations","Inorganic Chemistry","1996","35","","6064","6073","10.1021/ic960249a","","","0.71073","MoKα","","0.0853","0.0459","","0.079","0.0684","","","","1.005","1.053","1.053","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323931","12.839","0.001","12.843","0.002","23.545","0.002","90","","90","","90","","3882.4","0.8","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Fe((DMG)BF2)2(4-t-BuPY)2].2CH2Cl2","bis(4-tertbutylpyridine)bis(dimethylglyoximato(difluoroborato))iron(II)","","- C28 H42 B2 Cl4 F4 Fe N6 O4 -","- C28 H42 B2 Cl4 F4 Fe N6 O4 -","- C112 H168 B8 Cl16 F16 Fe4 N24 O16 -","4","1","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.0848","0.0585","","0.1994","0.153","","","","0.98","1.052","1.052","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323941","10.225","0.004","14.208","0.006","21.771","0.009","90","","90","","90","","3163","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 Cl O3 P2 Re -","- C36 Cl O3 P2 Re -","- C144 Cl4 O12 P8 Re4 -","4","1","","Cristina Bolzati; Francesco Tisato; Fiorenzo Refosco; Giuliano Bandoli; Alessandro Dolmella","Uncommon Anionic Dioxorhenium(V) and Neutral Monooxorhenium(V) Mixed-Ligand Complexes Containing Heterofunctionalized Phosphine Ligands: Syntheses and Structural Characterization","Inorganic Chemistry","1996","35","","6221","6229","10.1021/ic960404l","","","0.71073","MoKα","","0.0668","0.0435","","0.0915","0.0839","","","","0.862","0.949","0.949","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323942","10.199","0.002","14.147","0.004","21.772","0.006","90","","90","","90","","3141.4","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Cl N O2 P2 Re -","- C36 Cl N O2 P2 Re -","- C144 Cl4 N4 O8 P8 Re4 -","4","1","","Cristina Bolzati; Francesco Tisato; Fiorenzo Refosco; Giuliano Bandoli; Alessandro Dolmella","Uncommon Anionic Dioxorhenium(V) and Neutral Monooxorhenium(V) Mixed-Ligand Complexes Containing Heterofunctionalized Phosphine Ligands: Syntheses and Structural Characterization","Inorganic Chemistry","1996","35","","6221","6229","10.1021/ic960404l","","","0.71073","MoKα","","0.0467","0.0391","","0.3335","0.1039","","","","0.832","0.858","0.858","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323948","10.533","0.005","13.171","0.004","17.059","0.006","90","","90","","90","","2366.6","1.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Fe((DMG)BF2)2(PY)2]","bis(pyridine)bis(dimethylglyoximato(difluoroborato))iron(II)","","- C18 H22 B2 F4 Fe N6 O4 -","- C18 H22 B2 F4 Fe N6 O4 -","- C72 H88 B8 F16 Fe4 N24 O16 -","4","1","","Isak Vernik; Dennis V. Stynes","Stereochemistry of Boron-Functionalized (Dioximato)iron(II) Complexes. Control of Nonbonded Interactions on Soft Conformational Surfaces","Inorganic Chemistry","1996","35","","6210","6220","10.1021/ic9602761","","","0.71073","MoKα","","0.1126","0.0558","","0.1009","0.0827","","","","1.063","1.131","1.131","","","","","has coordinates","179342","2020-10-21","18:00:00",""
"4323973","14.228","0.003","18.386","0.004","13.085","0.002","90","","90","","90","","3423","1.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 Cl4 Fe2 N7 O2 -","- C27 H28 Cl4 Fe2 N7 O5 -","- C108 H112 Cl16 Fe8 N28 O20 -","4","1","","Jianping Wang; Mark S. Mashuta; Ziming Sun; John F. Richardson; David N. Hendrickson; Robert M. Buchanan","Syntheses, Crystal Structures, and Properties of Unsymmetrical (μ-Oxo)diiron(III) Complexes Containing Polyimidazole Ligands","Inorganic Chemistry","1996","35","","6642","6643","10.1021/ic9607494","","","0.7107","MoKα","","","0.049","","","0.056","","","","","2.67","2.67","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323974","21.581","0.006","24.03","0.007","10.137","0.003","90","","90","","90","","5257","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H57 Cl3 Fe2 N14 O15 -","- C38 H57 Cl3 Fe2 N14 O15 -","- C152 H228 Cl12 Fe8 N56 O60 -","4","1","","Jianping Wang; Mark S. Mashuta; Ziming Sun; John F. Richardson; David N. Hendrickson; Robert M. Buchanan","Syntheses, Crystal Structures, and Properties of Unsymmetrical (μ-Oxo)diiron(III) Complexes Containing Polyimidazole Ligands","Inorganic Chemistry","1996","35","","6642","6643","10.1021/ic9607494","","","0.7107","MoKα","","","0.057","","","0.06","","","","","1.792","1.792","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4323999","13.764","0.004","21.544","0.004","7.682","0.005","90","0","90","0","90","0","2278","1.7","299","","299","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","{N,N'-di-3-ethoxysalicylidene-(R,R)-2,4-pentanediamine}oxovanadium(IV)","","- C23 H30 N2 O6 V -","- C23 H28 N2 O6 V -","- C92 H112 N8 O24 V4 -","4","1","","Ryuichi Kasahara; Masanobu Tsuchimoto; Shigeru Ohba; Kiyohiko Nakajima; Hiroyuki Ishida; Masaaki Kojima","Interconversion between Polymeric and Monomeric Forms of Oxovanadium(IV) Complexes with Tetradentate Schiff Base Ligands Derived from (R,R)-2,4-Pentanediamine","Inorganic Chemistry","1996","35","","7661","7665","10.1021/ic960531h","","","0.71073","MoKα","","","0.0643","","","0.0535","","","","","1.37","1.37","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324000","10.393","0.002","22.278","0.002","9.886","0.002","90","0","90","0","90","0","2289","0.7","299","","299","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","{N,N'-di-3-ethoxysalicylidene-(R,R)-2,4-pentanediamine}oxovanadium(IV)","","- C23 H28 N2 O5 V -","- C23 H28 N2 O5 V -","- C92 H112 N8 O20 V4 -","4","1","","Ryuichi Kasahara; Masanobu Tsuchimoto; Shigeru Ohba; Kiyohiko Nakajima; Hiroyuki Ishida; Masaaki Kojima","Interconversion between Polymeric and Monomeric Forms of Oxovanadium(IV) Complexes with Tetradentate Schiff Base Ligands Derived from (R,R)-2,4-Pentanediamine","Inorganic Chemistry","1996","35","","7661","7665","10.1021/ic960531h","","","0.71073","MoKα","","","0.0551","","","0.0558","","","","","1.41","1.41","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324052","8.604","0.001","12.049","0.001","17.02","0.002","90","","90","","90","","1764.5","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 Cl2 Mo N -","- C14 H24 Cl2 Mo N -","- C56 H96 Cl8 Mo4 N4 -","4","1","","Katrin Köhler; Herbert W. Roesky; Axel Herzog; Heinz Gornitzka; Alexander Steiner; Isabel Usón","Syntheses, Structures, and Reactivity of a Series of (Pentamethylcyclopentadienyl)molybdenum(V) and -tungsten(V) Imido Complexes","Inorganic Chemistry","1996","35","","1773","1777","10.1021/ic950919x","","","0.71073","MoKα","","0.0217","0.0213","","0.057","0.0561","","","","1.057","1.055","1.055","","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324091","8.0438","0.0004","10.2298","0.0005","27.4376","0.0014","90","","90","","90","","2257.7","0.2","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Zirconium (N2N2) Dichloride complex","","","- C18 H32 Cl2 N4 O2 Zr -","- C18 H32 Cl2 N4 O2 Zr -","- C72 H128 Cl8 N16 O8 Zr4 -","4","1","","Géza Szigethy; Alan F. Heyduk","Steric and Electronic Consequences of Flexibility in a Tetradentate Redox-Active Ligand: Ti(IV) and Zr(IV) Complexes","Inorganic Chemistry","2011","50","","125","135","10.1021/ic101468p","","","0.71073","MoKα","","0.0169","0.0166","","","0.0437","0.0439","","","","","","1.077","","","","has coordinates","179343","2020-10-21","18:00:00",""
"4324113","12.5938","0.0006","12.8664","0.0008","19.0257","0.001","90","","90","","90","","3082.9","0.3","93.1","","93.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 Br0.12 Cl1.88 Co N5 O10.52 -","- C24 H44 Br0.12 Cl1.88 Co N5 O10.52 -","- C96 H176 Br0.48 Cl7.52 Co4 N20 O42.08 -","4","1","","Shohei Tashiro; Yasuyo Ogura; Sei Tsuboyama; Kaoru Tsuboyama; Mitsuhiko Shionoya","Chiral Recognition of α-Amino Acids by an Optically Active (2S,5S,8S,11S)-2,5,8,11-Tetraethyl Cyclen Cobalt(III) Complex","Inorganic Chemistry","2011","50","","4","6","10.1021/ic101760k","","","0.71075","MoKα","","","0.0484","","","","0.099","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324114","12.5046","0.0012","12.9421","0.0012","19.3464","0.0018","90","","90","","90","","3130.9","0.5","93.1","","93.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 Cl2 Co N5 O11 -","- C24 H44 Cl2 Co N5 O11 -","- C96 H176 Cl8 Co4 N20 O44 -","4","1","","Shohei Tashiro; Yasuyo Ogura; Sei Tsuboyama; Kaoru Tsuboyama; Mitsuhiko Shionoya","Chiral Recognition of α-Amino Acids by an Optically Active (2S,5S,8S,11S)-2,5,8,11-Tetraethyl Cyclen Cobalt(III) Complex","Inorganic Chemistry","2011","50","","4","6","10.1021/ic101760k","","","0.71075","MoKα","","","0.0667","","","","0.1677","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324116","16.0692","0.0015","20.818","0.002","24.081","0.002","90","","90","","90","","8055.8","1.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","hydrogenocyanocobalamin tetrafluoroacetate tetradecahydrate","","","- C65 H117 Co F3 N14 O30 P -","- C65 H117 Co F3 N14 O30 P -","- C260 H468 Co4 F12 N56 O120 P4 -","4","1","","Nadia Marino; Amy E. Rabideau; Robert P. Doyle","Trifluoracetic Acid-Assisted Crystallization of Vitamin B12 Results in Protonation of the Phosphate Group of the Nucleotide Loop: Insight into the Influence of Crystal Packing Forces on Vitamin B12 Structures","Inorganic Chemistry","2011","50","","220","230","10.1021/ic101810v","","","0.71073","MoKα","","0.0444","0.0409","","","0.104","0.1084","","","","","","1.105","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324199","12.4421","0.0003","15.0196","0.0003","15.1013","0.0003","90","","90","","90","","2822.06","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N2 Ni O8 -","- C27 H39 N2 Ni O8 -","- C108 H156 N8 Ni4 O32 -","4","1","","Prakash Kanoo; R. Sambhu; Tapas Kumar Maji","Guest-Specific Double- or Single-Step Adsorption in a Flexible Porous Framework Based on a Mixed-Ligand System","Inorganic Chemistry","2011","50","","400","402","10.1021/ic101232u","","","0.71073","MoKα","","0.0395","0.0339","","","0.083","0.0878","","","","","","0.729","","","","has coordinates","179344","2020-10-21","18:00:00",""
"4324322","8.114","0.0001","11.1","0.0002","21.976","0.0004","90","","90","","90","","1979.28","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3","","","- C23 H22 Cu N3 -","- C23 H22 Cu N3 -","- C92 H88 Cu4 N12 -","4","1","","Alexander M. Willcocks; Alexander Gilbank; Stephen P. Richards; Simon K. Brayshaw; Andrew J. Kingsley; Raj Odedra; Andrew L. Johnson","Synthesis and Structure of 6-Aminofulvene-2-aldiminate Complexes","Inorganic Chemistry","2011","50","","937","948","10.1021/ic101524b","","","0.71073","MoKα","","0.0435","0.0314","","","0.0755","0.0813","","","","","","1.059","","","","has coordinates,has disorder","179346","2020-10-21","18:00:00",""
"4324324","11.489","0.0002","14.427","0.0002","18.419","0.0004","90","","90","","90","","3052.98","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6","","","- C33 H45 Al N2 -","- C33 H45 Al N2 -","- C132 H180 Al4 N8 -","4","1","","Alexander M. Willcocks; Alexander Gilbank; Stephen P. Richards; Simon K. Brayshaw; Andrew J. Kingsley; Raj Odedra; Andrew L. Johnson","Synthesis and Structure of 6-Aminofulvene-2-aldiminate Complexes","Inorganic Chemistry","2011","50","","937","948","10.1021/ic101524b","","","0.71073","MoKα","","0.0882","0.0435","","","0.0844","0.096","","","","","","0.975","","","","has coordinates","179346","2020-10-21","18:00:00",""
"4324409","7.4044","0.0001","18.9411","0.0003","21.4134","0.0003","90","","90","","90","","3003.18","0.08","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 Au3 Co N18 O4 -","- C12 H25 Au3 Co N18 O4 -","- C48 H100 Au12 Co4 N72 O16 -","4","1","","Andrew R. Geisheimer; John E. C. Wren; Vladimir K. Michaelis; Masayuki Kobayashi; Ken Sakai; Scott Kroeker; Daniel B. Leznoff","Aggregation of [Au(CN)4]- Anions: Examination by Crystallography and 15N CP-MAS NMR and the Structural Factors Influencing Intermolecular Au...N Interactions","Inorganic Chemistry","2011","50","","1265","1274","10.1021/ic101782v","","","0.71073","MoKα","","0.0318","0.022","","0.0449","0.029","0.0283","","","","","","0.5187","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324462","10.7842","0.0005","15.395","0.0006","17.7979","0.0008","90","","90","","90","","2954.9","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 B P -","- C33 H46 B P -","- C132 H184 B4 P4 -","4","1","","Zachariah M. Heiden; Michael Schedler; Douglas W. Stephan","Synthesis and Reactivity of o-Benzylphosphino- and o-α-Methylbenzyl(N,N-dimethyl)amine-Boranes","Inorganic Chemistry","2011","50","","1470","1479","10.1021/ic102044z","","","0.71073","MoKα","","0.0806","0.0512","","","0.1442","0.1823","","","","","","0.694","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324518","13.097","0.008","10.595","0.006","25.587","0.005","90","","90","","90","","3551","3","250","2","250","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H51 F N8 Zr -","- C33 H51 F N8 Zr -","- C132 H204 F4 N32 Zr4 -","4","1","","Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba","Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines","Inorganic Chemistry","2011","50","","1826","1839","10.1021/ic102242x","","","0.71073","MoKα","","0.1263","0.0629","","","0.1138","0.1445","","","","","","0.996","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324528","7.2514","0.0018","9.816","0.002","16.378","0.005","90","","90","","90","","1165.8","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 N2 O S2 V -","- C9 H18 N2 O S2 V -","- C36 H72 N8 O4 S8 V4 -","4","1","","Roxanne M. Jenkins; Tiffany A. Pinder; Michelle L. Hatley; Joseph H. Reibenspies; Marcetta Y. Darensbourg","Tetradentate N2S2 Vanadyl(IV) Coordination Complexes: Synthesis, Characterization, and Reactivity Studies","Inorganic Chemistry","2011","50","","1849","1855","10.1021/ic1022533","","","0.71073","MoKα","","0.0476","0.0363","","","0.0582","0.0619","","","","","","1.004","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4324573","6.805","0.0003","13.9793","0.0007","15.9447","0.0008","90","","90","","90","","1516.81","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O5 V -","- C14 H12 O5 V -","- C56 H48 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.0304","0.0284","","","0.0765","0.0778","","","","","","1.057","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324574","6.8023","0.0014","13.912","0.003","16.052","0.003","90","","90","","90","","1519.1","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12.55 H10.07 O5 V -","- C12.554 H10.072 O5 V -","- C50.216 H40.288 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.0425","0.0371","","","0.0992","0.102","","","","","","1.069","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324575","6.7884","0.0007","13.2305","0.0013","16.6357","0.0016","90","","90","","90","","1494.1","0.3","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12.76 H8.76 O5 V -","- C12.764 H8.764 O5 V -","- C51.056 H35.056 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.0368","0.0326","","","0.0872","0.0896","","","","","","1.034","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324576","6.8018","0.0004","13.5344","0.0009","16.4156","0.001","90","","90","","90","","1511.19","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 O5 V -","- C14 H10 O5 V -","- C56 H40 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.0301","0.0282","","","0.081","0.0824","","","","","","1.057","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324577","6.8127","0.0003","13.7142","0.0007","16.0701","0.0008","90","","90","","90","","1501.44","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13.54 H15.09 O5 V -","- C13.544 H15.088 O5 V -","- C54.176 H60.352 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.0298","0.0283","","","0.0765","0.0772","","","","","","1.046","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324578","6.827","0.008","13.965","0.016","16.073","0.018","90","","90","","90","","1532","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12.85 H12.08 O5 V -","- C12.848 H12.08 O5 V -","- C51.392 H48.32 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.0913","0.0535","","","0.1236","0.1381","","","","","","1.07","","","","has coordinates","179348","2020-10-21","18:00:00",""
"4324579","6.827","0.003","13.965","0.006","16.074","0.006","90","","90","","90","","1532.5","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12.9 H12.16 O5 V -","- C12.902 H12.17 O5 V -","- C51.608 H48.68 O20 V4 -","4","1","","Xiqu Wang; Juergen Eckert; Lumei Liu; Allan J. Jacobson","Breathing and Twisting: An Investigation of Framework Deformation and Guest Packing in Single Crystals of a Microporous Vanadium Benzenedicarboxylate","Inorganic Chemistry","2011","50","","2028","2036","10.1021/ic1025087","","","0.71073","MoKα","","0.1328","0.0839","","","0.1895","0.2105","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324593","13.5518","0.0013","16.3837","0.0015","33.135","0.003","90","","90","","90","","7356.9","1.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H98 Cl3 Co N12 O34 Pd6 S6 -","- C36 H78 Cl3 Co N12 O34 Pd6 S6 -","- C144 H312 Cl12 Co4 N48 O136 Pd24 S24 -","4","1","","Yusuke Hirai; Yoshinori Nagao; Asako Igashira-Kamiyama; Takumi Konno","Enantioselective/Anion-Selective Incorporation of Tris(ethylenediamine) Complexes into 2D Coordination Spaces between Tripalladium(II) Supramolecular Layers withd-Penicillaminate","Inorganic Chemistry","2011","50","","2040","2042","10.1021/ic1018983","","","0.71073","MoKα","","0.0384","0.03","","","0.0599","0.0612","","","","","","0.911","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324594","13.586","0.01","32.547","0.016","34.92","0.03","90","","90","","90","","15441","19","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H103 Cl3 Co N12 O36.5 Pd6 S6 -","- C36 H78 Cl3 Co N12 O35.75 Pd6 S6 -","- C288 H624 Cl24 Co8 N96 O286 Pd48 S48 -","8","2","","Yusuke Hirai; Yoshinori Nagao; Asako Igashira-Kamiyama; Takumi Konno","Enantioselective/Anion-Selective Incorporation of Tris(ethylenediamine) Complexes into 2D Coordination Spaces between Tripalladium(II) Supramolecular Layers withd-Penicillaminate","Inorganic Chemistry","2011","50","","2040","2042","10.1021/ic1018983","","","0.71075","MoKα","","0.0645","0.0379","","","0.0628","0.0663","","","","","","0.737","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4324595","13.6618","0.001","16.4672","0.0013","33.215","0.003","90","","90","","90","","7472.4","1.1","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H98 Cl3 N12 O34 Pd6 Rh S6 -","- C36 H78 Cl3 N12 O34 Pd6 Rh S6 -","- C144 H312 Cl12 N48 O136 Pd24 Rh4 S24 -","4","1","","Yusuke Hirai; Yoshinori Nagao; Asako Igashira-Kamiyama; Takumi Konno","Enantioselective/Anion-Selective Incorporation of Tris(ethylenediamine) Complexes into 2D Coordination Spaces between Tripalladium(II) Supramolecular Layers withd-Penicillaminate","Inorganic Chemistry","2011","50","","2040","2042","10.1021/ic1018983","","","0.71075","MoKα","","0.0363","0.0319","","","0.0811","0.0833","","","","","","1.079","","","","has coordinates,has disorder","179348","2020-10-21","18:00:00",""
"4324676","14.3658","0.0007","14.5103","0.0007","23.9483","0.0008","90","","90","","90","","4992.1","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H81 Ce N3 O12 P3 -","- C36 H81 Ce N3 O12 P3 -","- C144 H324 Ce4 N12 O48 P12 -","4","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.1026","0.083","","","0.1465","0.1528","","","","","","1.197","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324677","14.3481","0.0009","14.4845","0.0009","23.9651","0.0015","90","","90","","90","","4980.5","0.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H81 N3 O12 P3 Pr -","- C36 H81 N3 O12 P3 Pr -","- C144 H324 N12 O48 P12 Pr4 -","4","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.0789","0.0781","","","0.1908","0.1911","","","","","","1.28","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324678","14.3298","0.0005","14.476","0.0005","23.9774","0.0009","90","","90","","90","","4973.8","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H81 N3 Nd O12 P3 -","- C36 H81 N3 Nd O12 P3 -","- C144 H324 N12 Nd4 O48 P12 -","4","1","","Allen Bowden; Peter N. Horton; Andrew W. G. Platt","Lanthanide Nitrate Complexes of Tri-Isobutylphosphine Oxide: Solid State and CD2Cl2 Solution Structures","Inorganic Chemistry","2011","50","","2553","2561","10.1021/ic102385p","","","0.71073","MoKα","","0.0798","0.0789","","","0.1833","0.1838","","","","","","1.127","","","","has coordinates,has disorder","179349","2020-10-21","18:00:00",""
"4324720","13.3661","0.0005","17.9742","0.0008","22.069","0.0009","90","","90","","90","","5302","0.4","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H78 N3 O2 Si2 Yb -","- C52 H78 N3 O2 Si2 Yb -","- C208 H312 N12 O8 Si8 Yb4 -","4","1","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71075","MoKα","","0.0422","0.0392","","","0.0652","0.0666","","","","","","1.049","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324721","13.3775","0.0011","18.0251","0.0016","22.185","0.002","90","","90","","90","","5349.5","0.8","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H78 N3 O2 Si2 Y -","- C52 H78 N3 O2 Si2 Y -","- C208 H312 N12 O8 Si8 Y4 -","4","1","","Fubin Han; Qiaoqiao Teng; Yong Zhang; Yaorong Wang; Qi Shen","Influence of Schiff Base and Lanthanide Metals on the Synthesis, Stability, and Reactivity of Monoamido Lanthanide Complexes Bearing Two Schiff Bases","Inorganic Chemistry","2011","50","","2634","2643","10.1021/ic102529d","","","0.71075","MoKα","","0.0922","0.0693","","","0.1188","0.129","","","","","","1.052","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324747","5.4331","0.0005","13.5936","0.0013","30.12","0.003","90","","90","","90","","2224.5","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H30 N4 O12 Pb -","- C12 H30 N4 O12 Pb -","- C48 H120 N16 O48 Pb4 -","4","1","","Cheryl D. L. Saunders; Lauren E. Longobardi; Neil Burford; Michael D. Lumsden; Ulrike Werner-Zwanziger; Banghao Chen; Robert McDonald","Comprehensive Chemical Characterization of Complexes Involving Lead-Amino Acid Interactions","Inorganic Chemistry","2011","50","","2799","2810","10.1021/ic101892x","","","0.71073","MoKα","","0.0241","0.0217","","","0.05","0.0513","","","","","","1.096","","","","has coordinates,has disorder","179350","2020-10-21","18:00:00",""
"4324748","5.3525","0.0004","13.4886","0.001","33.906","0.003","90","","90","","90","","2447.9","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N4 O12 Pb -","- C18 H26 N4 O12 Pb -","- C72 H104 N16 O48 Pb4 -","4","1","","Cheryl D. L. Saunders; Lauren E. Longobardi; Neil Burford; Michael D. Lumsden; Ulrike Werner-Zwanziger; Banghao Chen; Robert McDonald","Comprehensive Chemical Characterization of Complexes Involving Lead-Amino Acid Interactions","Inorganic Chemistry","2011","50","","2799","2810","10.1021/ic101892x","","","0.71073","MoKα","","0.0261","0.0254","","","0.0585","0.0588","","","","","","1.14","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324749","5.6093","0.0005","13.7434","0.0013","32.965","0.003","90","","90","","90","","2541.3","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N4 O13 Pb -","- C18 H28 N4 O13 Pb -","- C72 H112 N16 O52 Pb4 -","4","1","","Cheryl D. L. Saunders; Lauren E. Longobardi; Neil Burford; Michael D. Lumsden; Ulrike Werner-Zwanziger; Banghao Chen; Robert McDonald","Comprehensive Chemical Characterization of Complexes Involving Lead-Amino Acid Interactions","Inorganic Chemistry","2011","50","","2799","2810","10.1021/ic101892x","","","0.71073","MoKα","","0.0535","0.0479","","","0.1107","0.1125","","","","","","1.289","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324750","5.4526","0.0004","13.5911","0.0011","28.742","0.002","90","","90","","90","","2130","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H28 N4 O12 Pb -","- C11 H28 N4 O12 Pb -","- C44 H112 N16 O48 Pb4 -","4","1","","Cheryl D. L. Saunders; Lauren E. Longobardi; Neil Burford; Michael D. Lumsden; Ulrike Werner-Zwanziger; Banghao Chen; Robert McDonald","Comprehensive Chemical Characterization of Complexes Involving Lead-Amino Acid Interactions","Inorganic Chemistry","2011","50","","2799","2810","10.1021/ic101892x","","","0.71073","MoKα","","0.0266","0.0253","","","0.0586","0.0589","","","","","","1.15","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324751","5.4125","0.0006","13.6907","0.0014","26.708","0.003","90","","90","","90","","1979.1","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H26 N4 O12 Pb -","- C10 H26 N4 O12 Pb -","- C40 H104 N16 O48 Pb4 -","4","1","","Cheryl D. L. Saunders; Lauren E. Longobardi; Neil Burford; Michael D. Lumsden; Ulrike Werner-Zwanziger; Banghao Chen; Robert McDonald","Comprehensive Chemical Characterization of Complexes Involving Lead-Amino Acid Interactions","Inorganic Chemistry","2011","50","","2799","2810","10.1021/ic101892x","","","0.71073","MoKα","","0.0228","0.0181","","","0.0394","0.0406","","","","","","1.047","","","","has coordinates","179350","2020-10-21","18:00:00",""
"4324829","7.0939","0.0014","12.542","0.003","21.535","0.004","90","","90","","90","","1916","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Rampal Pandey; Prashant Kumar; Ashish Kumar Singh; Mohammad Shahid; Pei-zhou Li; Sanjay Kumar Singh; Qiang Xu; Arvind Misra; Daya Shankar Pandey","Fluorescent Zinc(II) Complex Exhibiting ""On-Off-On"" Switching Toward Cu2+ and Ag+ Ions","Inorganic Chemistry","2011","50","","3189","3197","10.1021/ic1018086","","","0.71073","MoKα","","0.1102","0.0478","","","0.0875","0.1094","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4324885","10.6668","0.0008","13.5821","0.0011","7.3946","0.0006","90","","90","","90","","1071.31","0.15","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Cs1.37 K0.45 O9.98 Si3 Zr -","- Cs1.37236 K0.45068 O9.98085 Si3 Zr -","- Cs5.48944 K1.80272 O39.9234 Si12 Zr4 -","4","1","","Christopher S. Fewox; Abraham Clearfield; Aaron J. Celestian","In Situ X-ray Diffraction Study of Cesium Exchange in Synthetic Umbite","Inorganic Chemistry","2011","50","","3596","3604","10.1021/ic102546w","powder diffraction","x-ray","0.9221","Kα~1~","","","","","","","","0.07031","","1.3","","","","","","","has coordinates,has Fobs","179351","2020-10-21","18:00:00",""
"4324983","11.0392","0.0005","15.5736","0.0008","31.0265","0.0015","90","","90","","90","","5334.1","0.4","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H74 B N2 O2 Y -","- C64 H74 B N2 O2 Y -","- C256 H296 B4 N8 O8 Y4 -","4","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]","Inorganic Chemistry","2011","50","","4092","4106","10.1021/ic2000409","","","0.71073","MoKα","","0.0524","0.04","","","0.094","0.098","","","","","","1.024","","","","has coordinates,has disorder","179352","2020-10-21","18:00:00",""
"4324985","13.6157","0.0005","18.4964","0.0007","27.1343","0.001","90","","90","","90","","6833.5","0.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C82 H94 B N2 Y2 -","- C82 H94 B N2 Y2 -","- C328 H376 B4 N8 Y8 -","4","1","","Matthew R. MacDonald; Joseph W. Ziller; William J. Evans","Coordination and Reductive Chemistry of Tetraphenylborate Complexes of Trivalent Rare Earth Metallocene Cations, [(C5Me5)2Ln][(μ-Ph)2BPh2]","Inorganic Chemistry","2011","50","","4092","4106","10.1021/ic2000409","","","0.71073","MoKα","","0.0456","0.0335","","","0.0689","0.0729","","","","","","1.024","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4325003","6.7826","0.001","17.136","0.003","21.403","0.003","90","","90","","90","","2487.6","0.7","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H38 B10 N2 O4 -","- C15 H38 B10 N2 O5 -","- C60 H152 B40 N8 O20 -","4","1","","Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura","m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis","Inorganic Chemistry","2011","50","","4149","4161","10.1021/ic2002095","","","0.71073","MoKα","","0.09","0.0787","","","0.2159","0.2239","","","","","","1.155","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325004","6.6356","0.0008","15.8615","0.0019","19.74","0.002","90","","90","","90","","2077.6","0.4","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 B10 N2 O2 -","- C14 H30 B10 N2 O2 -","- C56 H120 B40 N8 O8 -","4","1","","Mohamed E. El-Zaria; Hidekazu Arii; Hiroyuki Nakamura","m-Carborane-Based Chiral NBN Pincer-Metal Complexes: Synthesis, Structure, and Application in Asymmetric Catalysis","Inorganic Chemistry","2011","50","","4149","4161","10.1021/ic2002095","","","0.71073","MoKα","","0.0484","0.0398","","","0.0926","0.0966","","","","","","1.04","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325032","6.282","0.009","11.751","0.016","15.48","0.02","90","","90","","90","","1143","3","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N4 O -","- C11 H17 N4 O -","- C44 H68 N16 O4 -","4","1","","Victor I. Ovcharenko; Sergei V. Fokin; Elena Yu. Fursova; Olga V. Kuznetsova; Eugene V. Tretyakov; Galina V. Romanenko; Artem S. Bogomyakov","""Jumping Crystals"": Oxygen-Evolving Metal-Nitroxide Complexes","Inorganic Chemistry","2011","50","","4307","4312","10.1021/ic1022483","","","0.71073","MoKα","","0.0743","0.0555","","","0.1196","0.1259","","","","","","0.947","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325052","8.5221","0.0004","10.7421","0.0005","11.6515","0.0006","90","","90","","90","","1066.64","0.09","150","2","150","2","","","","","","","Ross Forgan","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C44 H60 N4 O8 -","4","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.0524","0.0405","","","0.0974","0.1018","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325058","9.6192","0.0004","10.6124","0.0004","11.8069","0.0005","90","","90","","90","","1205.28","0.08","150","2","150","2","","","","","","","Ross Forgan","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Ross S. Forgan; Benjamin D. Roach; Peter A. Wood; Fraser J. White; John Campbell; David K. Henderson; Eduardo Kamenetzky; Fiona E. McAllister; Simon Parsons; Elna Pidcock; Patricia Richardson; Ronald M. Swart; Peter A. Tasker","Using the Outer Coordination Sphere to Tune the Strength of Metal Extractants","Inorganic Chemistry","2011","50","","4515","4522","10.1021/ic200154y","","","0.71073","MoKα","","0.0456","0.0399","","","0.1044","0.1074","","","","","","1.137","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325089","5.961","0.004","15.134","0.011","23.569","0.017","90","","90","","90","","2126","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N4 -","- C26 H24 N4 -","- C104 H96 N16 -","4","1","","I. Ravikumar; Pradyut Ghosh","Zinc(II) and PPi Selective Fluorescence OFF-ON-OFF Functionality of a Chemosensor in Physiological Conditions","Inorganic Chemistry","2011","50","","4229","4231","10.1021/ic200314t","","","0.71073","MoKα","","0.0406","0.0333","","","0.0704","0.0747","","","","","","1.033","","","","has coordinates","179353","2020-10-21","18:00:00",""
"4325104","8.995","0.002","12.433","0.003","21.698","0.005","90","","90","","90","","2426.6","1","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Br3 La N7 -","- C14 H21 Br3 La N7 -","- C56 H84 Br12 La4 N28 -","4","1","","Kalyan V. Vasudevan; Nickolaus A. Smith; Brian L. Scott; Edward A. McKigney; Michael W. Blair; John C. Gordon; Ross E. Muenchausen","An Ionic Liquid-Mediated Route to Cerium(III) Bromide Solvates","Inorganic Chemistry","2011","50","","4627","4631","10.1021/ic200353s","","","0.71073","MoKα","","0.0812","0.051","","","0.1086","0.1216","","","","","","1.119","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325129","13.1221","0.0006","15.7684","0.0007","18.738","0.0007","90","","90","","90","","3877.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H39 B Cl2 Mn N O3 -","- C46 H39 B Cl2 Mn N O3 -","- C184 H156 B4 Cl8 Mn4 N4 O12 -","4","1","","Holger Braunschweig; Alexander Damme; Daniela Gamon; Thomas Kupfer; Krzysztof Radacki","Synthesis and Coordination Chemistry of 1-Cymantrenyl-2,3,4,5-tetraphenylborole","Inorganic Chemistry","2011","50","","4250","4252","10.1021/ic200559d","","","0.71073","MoKα","","0.0313","0.0289","","","0.0761","0.0823","","","","","","1.105","","","","has coordinates,has disorder","179354","2020-10-21","18:00:00",""
"4325131","12.3555","0.0007","15.2816","0.0009","15.354","0.0009","90","","90","","90","","2899","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(Mes3P)Au(CO)][SbF6]","","","- C28 H33 Au F6 O P Sb -","- C28 H33 Au F6 O P Sb -","- C112 H132 Au4 F24 O4 P4 Sb4 -","4","1","","H. V. Rasika Dias; Chandrakanta Dash; Muhammed Yousufuddin; Mehmet Ali Celik; Gernot Frenking","Cationic Gold Carbonyl Complex on a Phosphine Support","Inorganic Chemistry","2011","50","","4253","4255","10.1021/ic200757j","","","0.71073","MoKα","","0.0319","0.0297","","","0.0757","0.0765","","","","","","1.036","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325154","10.8035","0.0005","16.1997","0.0008","22.5376","0.0008","90","","90","","90","","3944.4","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(tritertbutylphosphino-copper-phenylselenolate)","bis(μ~2~-phenylselenido)-bis(tritertbutylphosphine)-di-copper","","- C36 H64 Cu2 P2 Se2 -","- C36 H64 Cu2 P2 Se2 -","- C144 H256 Cu8 P8 Se8 -","4","1","","Oliver Kluge; Katharina Grummt; Ralf Biedermann; Harald Krautscheid","Trialkylphosphine-Stabilized Copper(I) Phenylchalcogenolate Complexes - Crystal Structures and Copper-Chalcogenolate Bonding","Inorganic Chemistry","2011","50","","4742","4752","10.1021/ic102249g","","","0.71073","MoKα","","0.0489","0.0358","","","0.0643","0.0672","","","","","","0.95","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325178","15.092","0.003","16.734","0.003","28.419","0.005","90","","90","","90","","7177","2","118","2","118","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H79 Cu5 Gd N14 O30 -","- C54 H65 Cu5 Gd N14 O29 -","- C216 H260 Cu20 Gd4 N56 O116 -","4","1","","Choong-Sun Lim; Joseph Jankolovits; Peng Zhao; Jeff W. Kampf; Vincent L. Pecoraro","Gd(III)[15-Metallacrown-5] Recognition of Chiral α-Amino Acid Analogues","Inorganic Chemistry","2011","50","","4832","4841","10.1021/ic102579t","","","0.71073","MoKα","","0.0627","0.0471","","","0.1065","0.1116","","","","","","1.058","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325179","14.887","0.002","16.78","0.003","28.611","0.004","90","","90","","90","","7147.1","1.9","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H79 Cu5 Gd N14 O30 -","- C54 H61 Cu5 Gd N14 O30 -","- C216 H244 Cu20 Gd4 N56 O120 -","4","1","","Choong-Sun Lim; Joseph Jankolovits; Peng Zhao; Jeff W. Kampf; Vincent L. Pecoraro","Gd(III)[15-Metallacrown-5] Recognition of Chiral α-Amino Acid Analogues","Inorganic Chemistry","2011","50","","4832","4841","10.1021/ic102579t","","","0.71073","MoKα","","0.0323","0.0297","","","0.075","0.0763","","","","","","1.083","","","","has coordinates","179354","2020-10-21","18:00:00",""
"4325259","10.1405","0.0002","11.8097","0.0002","19.7182","0.0004","90","","90","","90","","2361.38","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 F6 Mo N5 O2 P -","- C21 H26 F6 Mo N5 O2 P -","- C84 H104 F24 Mo4 N20 O8 P4 -","4","1","","Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane","Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents","Inorganic Chemistry","2011","50","","4677","4679","10.1021/ic200403t","","","1.54178","CuKα","","0.0253","0.0242","","","0.0577","0.0581","","","","","","1.085","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325260","8.8118","0.0002","13.4003","0.0004","23.2216","0.0006","90","","90","","90","","2742.02","0.12","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cu F6 N4 O6 S2 -","- C22 H26 Cu F6 N4 O6 S2 -","- C88 H104 Cu4 F24 N16 O24 S8 -","4","1","","Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane","Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents","Inorganic Chemistry","2011","50","","4677","4679","10.1021/ic200403t","","","1.54178","CuKα","","0.075","0.0738","","","0.2018","0.2036","","","","","","1.028","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325261","8.4034","0.0001","12.4355","0.0002","24.5737","0.0003","90","","90","","90","","2567.96","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 B2 Cu F8 N5 -","- C22 H29 B2 Cu F8 N5 -","- C88 H116 B8 Cu4 F32 N20 -","4","1","","Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane","Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents","Inorganic Chemistry","2011","50","","4677","4679","10.1021/ic200403t","","","1.54178","CuKα","","0.0304","0.0287","","","0.0728","0.0737","","","","","","1.039","","","","has coordinates","179355","2020-10-21","18:00:00",""
"4325298","13.4826","0.0016","18.813","0.002","23.724","0.003","90","","90","","90","","6017.5","1.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Ir2(dppm)(PPh(o-C6H4)CH2PPh2)(CNtBu)2Cl2H","","","- C64 H70 Cl2 Ir2 N2 O P4 -","- C64 H70 Cl2 Ir2 N2 O P4 -","- C256 H280 Cl8 Ir8 N8 O4 P16 -","4","1","","Thomas S. Teets; Timothy R. Cook; Brian D. McCarthy; Daniel G. Nocera","Redox Chemistry, Acid Reactivity, and Hydrogenation Reactions of Two-Electron Mixed Valence Diiridium and Dirhodium Complexes","Inorganic Chemistry","2011","50","","5223","5233","10.1021/ic2005248","","","0.71073","MoKα","","0.0297","0.0252","","","0.0528","0.0546","","","","","","1.039","","","","has coordinates","208202","2020-10-21","18:00:00",""
"4325366","14.4151","0.0005","15.3563","0.0005","22.503","0.0008","90","","90","","90","","4981.3","0.3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H60 B2 Cl2 F8 P2 Rh2 n4 -","- C48 H60 B2 Cl2 F8 N4 P2 Rh2 -","- C192 H240 B8 Cl8 F32 N16 P8 Rh8 -","4","1","","Lindsay J. Hounjet; Robert McDonald; Michael J. Ferguson; Martin Cowie","Comparison of Structure and Reactivity of Phosphine-Amido and Hemilabile Phosphine-Amine Chelates of Rhodium","Inorganic Chemistry","2011","50","","5361","5378","10.1021/ic101883u","","","0.71073","MoKα","","0.0262","0.0249","","","0.0625","0.0632","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4325508","12.5639","0.0005","14.7667","0.0006","19.3364","0.0009","90","","90","","90","","3587.4","0.3","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N8 Ni O14 Sm -","- C25 H29 N8 Ni O14 Sm -","- C100 H116 N32 Ni4 O56 Sm4 -","4","1","","Traian D. Pasatoiu; Jean-Pascal Sutter; Augustin M. Madalan; Fatima Zohra Chiboub Fellah; Carine Duhayon; Marius Andruh","Preparation, Crystal Structures, and Magnetic Features for a Series of Dinuclear [NiIILnIII] Schiff-Base Complexes: Evidence for Slow Relaxation of the Magnetization for the DyIII Derivative","Inorganic Chemistry","2011","50","","5890","5898","10.1021/ic2004276","","","0.71073","MoKα","","0.0502","0.0355","","0.0391","0.0357","0.0357","","","","","","1.0203","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4325573","10.3815","0.0009","21.1122","0.0019","23.366","0.002","90","","90","","90","","5121.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78 H114 Cl8 Co6 N18 O49 -","- C78 H114 Cl8 Co6 N18 O49 -","- C156 H228 Cl16 Co12 N36 O98 -","2","0.5","","Jia Luo; Nigam P. Rath; Liviu M. Mirica","Dinuclear Co(II)Co(III) Mixed-Valence and Co(III)Co(III) Complexes with N- and O-Donor Ligands: Characterization and Water Oxidation Studies","Inorganic Chemistry","2011","50","","6152","6157","10.1021/ic201031s","","","0.71073","MoKα","","0.0542","0.0395","","","0.0897","0.0976","","","","","","1.044","","","","has coordinates,has disorder","179358","2020-10-21","18:00:00",""
"4325580","10.5465","0.0006","18.4379","0.0011","22.7463","0.0013","90","","90","","90","","4423.1","0.4","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 B Cl N8 P2 Si2 Th -","- C40 H48 B Cl N8 P2 Si2 Th -","- C160 H192 B4 Cl4 N32 P8 Si8 Th4 -","4","1","","Guibin Ma; Michael J. Ferguson; Robert McDonald; Ronald G. Cavell","Actinide Metals with Multiple Bonds to Carbon: Synthesis, Characterization, and Reactivity of U(IV) and Th(IV) Bis(iminophosphorano)methandiide Pincer Carbene Complexes","Inorganic Chemistry","2011","50","","6500","6508","10.1021/ic102537q","","","0.71073","MoKα","","0.0251","0.0222","","","0.0518","0.0578","","","","","","1.09","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325581","10.5116","0.0009","18.3976","0.0015","22.7622","0.0019","90","","90","","90","","4401.9","0.6","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 B Cl N8 P2 Si2 U -","- C40 H48 B Cl N8 P2 Si2 U -","- C160 H192 B4 Cl4 N32 P8 Si8 U4 -","4","1","","Guibin Ma; Michael J. Ferguson; Robert McDonald; Ronald G. Cavell","Actinide Metals with Multiple Bonds to Carbon: Synthesis, Characterization, and Reactivity of U(IV) and Th(IV) Bis(iminophosphorano)methandiide Pincer Carbene Complexes","Inorganic Chemistry","2011","50","","6500","6508","10.1021/ic102537q","","","0.71073","MoKα","","0.0216","0.0196","","","0.0433","0.0437","","","","","","1.02","","","","has coordinates","179358","2020-10-21","18:00:00",""
"4325680","10.17","0.002","20.44","0.004","22.5","0.005","90","","90","","90","","4677.2","1.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C184 H196 Cl8 Fe8 N24 O56 -","- C184 H188 Cl8 Fe8 N24 O56 -","- C184 H188 Cl8 Fe8 N24 O56 -","1","0.25","","Eric Gouré; Grégory Thiabaud; Michaël Carboni; Nathalie Gon; Patrick Dubourdeaux; Ricardo Garcia-Serres; Martin Clémancey; Jean-Louis Oddou; Adeline Y. Robin; Lilian Jacquamet; Lionel Dubois; Geneviève Blondin; Jean-Marc Latour","Reversible (De)protonation-Induced Valence Inversion in Mixed-Valent Diiron(II,III) Complexes","Inorganic Chemistry","2011","50","","6408","6410","10.1021/ic2007414","","","0.97959","","","0.082","0.0726","","","0.1653","0.1755","","","","","","1.071","","","","has coordinates","179359","2020-10-21","18:00:00",""
"4325711","7.0706","0.0003","10.6491","0.0005","14.1876","0.0004","90","","90","","90","","1068.26","0.07","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","sd102","2-Bromo-3-(2-bromophenyl)pyridine","","- C11 H7 Br2 N -","- C11 H7 Br2 N -","- C44 H28 Br8 N4 -","4","1","","Stefan Durben; Thomas Baumgartner","Azadibenzophospholes: Functional Building Blocks with Pronounced Electron-Acceptor Character","Inorganic Chemistry","2011","50","","6823","6836","10.1021/ic200951x","","","0.7107","MoKα","","0.0487","0.0389","","","0.0775","0.0866","","","","","","1.144","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4325771","12.0254","0.0014","15.2317","0.0013","20.5384","0.0019","90","","90","","90","","3762","0.6","150","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H43 N7 O Os -","- C42 H43 N7 O Os -","- C168 H172 N28 O4 Os4 -","4","1","","Dipanwita Das; Biprajit Sarkar; Tapan Kumar Mondal; Shaikh M. Mobin; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri","Oxidation State Analysis of a Four-Component Redox Series [Os(pap)2(Q)]n Involving Two Different Non-Innocent Ligands on a Redox-Active Transition Metal","Inorganic Chemistry","2011","50","","7090","7098","10.1021/ic200615s","","","0.71073","MoKα","","0.0458","0.0313","","","0.0442","0.0457","","","","","","0.787","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325772","12.5063","0.0013","15.3816","0.0014","20.364","0.002","90","","90","","90","","3917.4","0.7","150","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 Cl2 N7 O Os -","- C42 H41 Cl2 N7 O Os -","- C168 H164 Cl8 N28 O4 Os4 -","4","1","","Dipanwita Das; Biprajit Sarkar; Tapan Kumar Mondal; Shaikh M. Mobin; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri","Oxidation State Analysis of a Four-Component Redox Series [Os(pap)2(Q)]n Involving Two Different Non-Innocent Ligands on a Redox-Active Transition Metal","Inorganic Chemistry","2011","50","","7090","7098","10.1021/ic200615s","","","0.71073","MoKα","","0.0699","0.038","","","0.043","0.0466","","","","","","0.608","","","","has coordinates","179360","2020-10-21","18:00:00",""
"4325846","12.3088","0.0008","15.1451","0.001","20.514","0.0014","90","","90","","90","","3824.2","0.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5","","","- C40 H28 Au2 Cl2 P2 -","- C40 H28 Au2 Cl2 P2 -","- C160 H112 Au8 Cl8 P8 -","4","1","","Jian Hu; Minh-Hai Nguyen; John H. K. Yip","Metallacyclophanes of 1,6-Bis(diphenylphosphino)pyrene: Excimeric Emission and Effect of Oxygen on Stability of the Rings","Inorganic Chemistry","2011","50","","7429","7439","10.1021/ic102441b","","","0.71073","MoKα","","0.0666","0.0593","","","0.1498","0.1527","","","","","","1.15","","","","has coordinates","179361","2020-10-21","18:00:00",""
"4325908","24.591","0.004","29.558","0.005","34.929","0.006","90","","90","","90","","25389","7","108","2","108","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C180 H264 Cu20 Er4 N52 O108 -","- C180 H200 Cu20 Er4 N51.54 O107.52 -","- C720 H800 Cu80 Er16 N206.16 O430.08 -","4","1","","Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro","Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure","Inorganic Chemistry","2011","50","","7707","7717","10.1021/ic200740h","","","0.71073","MoKα","","0.0753","0.0506","","","0.12","0.132","","","","","","1.04","","","","has coordinates,has disorder","179362","2020-10-21","18:00:00",""
"4326013","10.9707","0.0011","12.3132","0.0003","15.2999","0.0002","90","","90","","90","","2066.8","0.2","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cl2 P4 Pd2 S -","- C10 H28 Cl2 P4 Pd2 S -","- C40 H112 Cl8 P16 Pd8 S4 -","4","1","","Craig B. Pamplin; Steven J. Rettig; Brian O. Patrick; Brian R. James","Reactions of the Bis(dialkylphosphino)methane Complexes Pd2X2(μ-R2PCH2PR2)2 (X = halogen, R = Me or Et) with H2S, S8, COS, and CS2; Detection of Reaction Intermediates","Inorganic Chemistry","2011","50","","8094","8105","10.1021/ic200503d","","","0.7107","MoKα","","0.0193","0.0175","","","0.0435","0.0439","","","","","","1.085","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4326100","9.665","0.003","14.257","0.004","22.127","0.006","90","","90","","90","","3049","1.5","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Cl Cu Fe N4 O7 -","- C32 H31 Cl Cu Fe N4 O7 -","- C128 H124 Cl4 Cu4 Fe4 N16 O28 -","4","1","","Tridib K. Goswami; Balabhadrapatruni V. S. K. Chakravarthi; Mithun Roy; Anjali A. Karande; Akhil R. Chakravarty","Ferrocene-Conjugated l-Tryptophan Copper(II) Complexes of Phenanthroline Bases Showing DNA Photocleavage Activity and Cytotoxicity","Inorganic Chemistry","2011","50","","8452","8464","10.1021/ic201028e","","","0.71073","MoKα","","0.045","0.032","","","0.0683","0.072","","","","","","0.996","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326101","10.9338","0.0006","12.0549","0.0006","22.5692","0.0012","90","","90","","90","","2974.8","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Cl Cu N4 O7 -","- C30 H25 Cl Cu N4 O7 -","- C120 H100 Cl4 Cu4 N16 O28 -","4","1","","Tridib K. Goswami; Balabhadrapatruni V. S. K. Chakravarthi; Mithun Roy; Anjali A. Karande; Akhil R. Chakravarty","Ferrocene-Conjugated l-Tryptophan Copper(II) Complexes of Phenanthroline Bases Showing DNA Photocleavage Activity and Cytotoxicity","Inorganic Chemistry","2011","50","","8452","8464","10.1021/ic201028e","","","0.71073","MoKα","","0.0962","0.0381","","","0.092","0.1202","","","","","","0.993","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326147","11.6555","0.0017","13.0431","0.0019","15.381","0.002","90","","90","","90","","2338.3","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Fe N7 S2 -","- C22 H21 Fe N7 S2 -","- C88 H84 Fe4 N28 S8 -","4","1","","Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds","Inorganic Chemistry","2011","50","","8553","8564","10.1021/ic201142t","","","0.71073","MoKα","","0.0501","0.0384","","","0.0679","0.0703","","","","","","0.908","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326170","9.4752","0.0009","21.582","0.002","23.529","0.002","90","","90","","90","","4811.5","0.8","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 Pd S2 -","- C30 H20 N2 Pd S2 -","- C240 H160 N16 Pd8 S16 -","8","2","","Luciano Cuesta; Dune Prat; Tatiana Soler; Rafael Navarro; Esteban P. Urriolabeitia","Novel Cyclopalladated Imino-thiophenes: Synthesis and Reactivity Toward Alkynes and Carbon Monoxide","Inorganic Chemistry","2011","50","","8598","8607","10.1021/ic201158v","","","0.71073","MoKα","","0.1288","0.0665","","","0.1036","0.1235","","","","","","0.97","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326183","7.0717","0.0002","13.6182","0.0004","21.1941","0.0007","90","","90","","90","","2041.07","0.11","173","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N,N'-ethylenebis-(1R,2S)-ephedrine","","","- C22 H32 N2 O2 -","- C22 H32 N2 O2 -","- C88 H128 N8 O8 -","4","1","","Thomas Zöller; Ljuba Iovkova-Berends; Thorsten Berends; Christina Dietz; Gerrit Bradtmöller; Klaus Jurkschat","Intramolecular N\ρightarrowSn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives","Inorganic Chemistry","2011","50","","8645","8653","10.1021/ic201203u","","","","MoKα","","0.0404","0.0297","","","0.0607","0.0623","","","","","","0.91","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326186","7.0554","0.0004","16.7756","0.0019","25.249","0.006","90","","90","","90","","2988.4","0.8","173","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Pentacarbonyl{(3R,4S,5R,8S,9S,10R)-3,10-diphenyl-4,5,8,9-tetramethyl- (5,8-diaza-2,11-dioxa-1-stanna(II)tricyclo[3.2.3.0^1,5^.0^1,8^]undecane)} tungsten(0)","","","- C27 H30 N2 O7 Sn W -","- C27 H30 N2 O7 Sn W -","- C108 H120 N8 O28 Sn4 W4 -","4","1","","Thomas Zöller; Ljuba Iovkova-Berends; Thorsten Berends; Christina Dietz; Gerrit Bradtmöller; Klaus Jurkschat","Intramolecular N\ρightarrowSn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives","Inorganic Chemistry","2011","50","","8645","8653","10.1021/ic201203u","","","","MoKα","","0.0537","0.0352","","","0.0508","0.0525","","","","","","0.803","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326187","7.0618","0.0004","16.7376","0.0012","25.3834","0.0017","90","","90","","90","","3000.3","0.3","173","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Pentacarbonyl{(3R,4S,5R,8S,9S,10R)-3,10-diphenyl-4,5,8,9-tetramethyl- (5,8-diaza-2,11-dioxa-1-stanna(II)tricyclo[3.2.3.0^1,5^.0^1,8^]undecane)} chromium(0)","","","- C27 H30 Cr N2 O7 Sn -","- C27 H30 Cr N2 O7 Sn -","- C108 H120 Cr4 N8 O28 Sn4 -","4","1","","Thomas Zöller; Ljuba Iovkova-Berends; Thorsten Berends; Christina Dietz; Gerrit Bradtmöller; Klaus Jurkschat","Intramolecular N\ρightarrowSn Coordination in Tin(II) and Tin(IV) Compounds Based on Enantiopure Ephedrine Derivatives","Inorganic Chemistry","2011","50","","8645","8653","10.1021/ic201203u","","","","MoKα","","0.0578","0.032","","","0.0375","0.0393","","","","","","0.7","","","","has coordinates","179364","2020-10-21","18:00:00",""
"4326198","9.5934","0.0007","15.8093","0.0012","18.7282","0.0014","90","","90","","90","","2840.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","08081","","","- C20 H44 Cl2 N4 O11 -","- C20 H44 Cl2 N4 O11 -","- C80 H176 Cl8 N16 O44 -","4","1","","Gyula Tircso; Benjamin C. Webber; Benjamin E. Kucera; Victor G. Young; Mark Woods","Analysis of the Conformational Behavior and Stability of the SAP and TSAP Isomers of Lanthanide(III) NB-DOTA-Type Chelates","Inorganic Chemistry","2011","50","","7966","7979","10.1021/ic2012843","","","0.71073","MoKα","","0.0607","0.0441","","","0.0976","0.1085","","","","","","1.011","","","","has coordinates,has disorder","179364","2020-10-21","18:00:00",""
"4326204","9.4852","0.0004","18.9342","0.0008","31.3583","0.0013","90","","90","","90","","5631.8","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H77 Co N6 O17 -","- C54 H77 Co N6 O17 -","- C216 H308 Co4 N24 O68 -","4","1","","Susan M. Chemaly; Kenneth L. Brown; Manuel A. Fernandes; Orde Q. Munro; Craig Grimmer; Helder M. Marques","Probing the Nature of the CoIII Ion in Corrins: The Structural and Electronic Properties of Dicyano- and Aquacyanocobyrinic Acid Heptamethyl Ester and a Stable Yellow Dicyano- and Aquacyanocobyrinic Acid Heptamethyl Ester","Inorganic Chemistry","2011","50","","8700","8718","10.1021/ic200285k","","","0.71073","MoKα","","0.129","0.0608","","","0.1218","0.1474","","","","","","0.997","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326259","10.3132","0.0003","11.3906","0.0004","17.1833","0.0006","90","","90","","90","","2018.58","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 La N O21 Sb2 -","- C8 H4 La N O21 Sb2 -","- C32 H16 La4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0301","0.0259","","","0.0518","0.053","","","","","","0.97","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326260","10.3057","0.0003","11.3715","0.0004","17.1293","0.0006","90","","90","","90","","2007.4","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Ce N O21 Sb2 -","- C8 H4 Ce N O21 Sb2 -","- C32 H16 Ce4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.017","0.0169","","","0.0472","0.0473","","","","","","1.137","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326261","10.3041","0.0005","11.3683","0.0005","17.0918","0.0008","90","","90","","90","","2002.14","0.16","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N O21 Pr Sb2 -","- C8 H4 N O21 Pr Sb2 -","- C32 H16 N4 O84 Pr4 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0204","0.0189","","","0.0495","0.0501","","","","","","1.076","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326262","10.2946","0.0006","11.3515","0.0007","17.0396","0.001","90","","90","","90","","1991.2","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N Nd O21 Sb2 -","- C8 H4 N Nd O21 Sb2 -","- C32 H16 N4 Nd4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0285","0.0261","","","0.0578","0.0586","","","","","","1.002","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326263","10.2895","0.0003","11.3299","0.0004","16.9699","0.0006","90","","90","","90","","1978.33","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N O21 Sb2 Sm -","- C8 H4 N O21 Sb2 Sm -","- C32 H16 N4 O84 Sb8 Sm4 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0212","0.0205","","","0.054","0.0543","","","","","","1.052","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326264","10.2745","0.0003","11.3155","0.0004","16.9122","0.0006","90","","90","","90","","1966.23","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Eu N O21 Sb2 -","- C8 H4 Eu N O21 Sb2 -","- C32 H16 Eu4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0265","0.0263","","","0.0685","0.0687","","","","","","1.07","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326265","10.2741","0.0004","11.3121","0.0004","16.8856","0.0006","90","","90","","90","","1962.47","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Gd N O21 Sb2 -","- C8 H4 Gd N O21 Sb2 -","- C32 H16 Gd4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0194","0.0183","","","0.0461","0.0464","","","","","","0.969","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326266","10.2675","0.0003","11.2978","0.0004","16.8401","0.0006","90","","90","","90","","1953.45","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N O21 Sb2 Tb -","- C8 H4 N O21 Sb2 Tb -","- C32 H16 N4 O84 Sb8 Tb4 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0211","0.0211","","","0.0563","0.0563","","","","","","1.105","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326267","10.2594","0.0004","11.2855","0.0004","16.7969","0.0007","90","","90","","90","","1944.79","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Dy N O21 Sb2 -","- C8 H4 Dy N O21 Sb2 -","- C32 H16 Dy4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0218","0.0215","","","0.0558","0.0559","","","","","","1.088","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326268","10.2606","0.0003","11.2852","0.0004","16.7766","0.0005","90","","90","","90","","1942.61","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Ho N O21 Sb2 -","- C8 H4 Ho N O21 Sb2 -","- C32 H16 Ho4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0202","0.02","","","0.0524","0.0526","","","","","","1.081","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326269","10.2617","0.001","11.2688","0.0011","16.7347","0.0016","90","","90","","90","","1935.2","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Er N O21 Sb2 -","- C8 H4 Er N O21 Sb2 -","- C32 H16 Er4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0297","0.0295","","","0.0785","0.0787","","","","","","1.119","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326270","10.259","0.0005","11.2557","0.0006","16.692","0.0009","90","","90","","90","","1927.46","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N O21 Sb2 Tm -","- C8 H4 N O21 Sb2 Tm -","- C32 H16 N4 O84 Sb8 Tm4 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0191","0.0185","","","0.0496","0.0498","","","","","","1.114","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326271","10.2511","0.0003","11.2635","0.0004","16.6615","0.0006","90","","90","","90","","1923.79","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N O21 Sb2 Yb -","- C8 H4 N O21 Sb2 Yb -","- C32 H16 N4 O84 Sb8 Yb4 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0295","0.0265","","","0.0555","0.0562","","","","","","0.967","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326272","10.26","0.003","11.279","0.003","16.619","0.004","90","","90","","90","","1923.2","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Lu N O21 Sb2 -","- C8 H4 Lu N O21 Sb2 -","- C32 H16 Lu4 N4 O84 Sb8 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0535","0.036","","","0.0573","0.0633","","","","","","0.924","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326273","10.2648","0.0007","11.2869","0.0008","16.7783","0.0012","90","","90","","90","","1943.9","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N O21 Sb2 Y -","- C8 H4 N O21 Sb2 Y -","- C32 H16 N4 O84 Sb8 Y4 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","Homochiral Frameworks Formed by Reactions of Lanthanide Ions with a Chiral Antimony Tartrate Secondary Building Unit","Inorganic Chemistry","2011","50","","9073","9082","10.1021/ic201274c","","","0.71073","MoKα","","0.0308","0.0252","","","0.0519","0.053","","","","","","0.935","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326288","13.9216","0.0011","15.4812","0.0014","15.545","0.0013","90","0.005","90","0.005","90","0.005","3350.3","0.5","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 Cr In Mn N4 O14 -","- C26 H22 Cl2 Cr In Mn N4 O14 -","- C104 H88 Cl8 Cr4 In4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh","Multifunctional Magnetic Materials Obtained by Insertion of Spin-Crossover FeIII Complexes into Chiral 3D Bimetallic Oxalate-Based Ferromagnets","Inorganic Chemistry","2011","50","","9122","9130","10.1021/ic201293f","","","0.71073","MoKα","","0.1437","0.073","","","0.0997","0.1224","","","","","","1.006","","","","has coordinates","179365","2020-10-21","18:00:00",""
"4326289","13.6797","0.0011","15.2785","0.0009","16.0478","0.0013","90","","90","","90","","3354.1","0.4","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br2 Cr Fe Mn N4 O14 -","- C26 H22 Br2 Cr Fe Mn N4 O14 -","- C104 H88 Br8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh","Multifunctional Magnetic Materials Obtained by Insertion of Spin-Crossover FeIII Complexes into Chiral 3D Bimetallic Oxalate-Based Ferromagnets","Inorganic Chemistry","2011","50","","9122","9130","10.1021/ic201293f","","","0.71073","MoKα","","0.0942","0.056","","","0.0941","0.1076","","","","","","1.032","","","","has coordinates,has disorder","179365","2020-10-21","18:00:00",""
"4326290","13.3082","0.0003","15.6219","0.0004","16.4727","0.0005","90","","90","","90","","3424.66","0.16","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26.5 H23.5 Cl2 Cr Fe Mn N4.5 O15 -","- C26.5 H23.5 Cl2 Cr Fe Mn N4.5 O15 -","- C106 H94 Cl8 Cr4 Fe4 Mn4 N18 O60 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh","Multifunctional Magnetic Materials Obtained by Insertion of Spin-Crossover FeIII Complexes into Chiral 3D Bimetallic Oxalate-Based Ferromagnets","Inorganic Chemistry","2011","50","","9122","9130","10.1021/ic201293f","","","0.71073","MoKα","","0.0992","0.0494","","","0.1038","0.1107","","","","","","0.921","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326312","7.4816","0.0006","8.1746","0.0007","22.8228","0.0018","90","","90","","90","","1395.8","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Ag N7 O3 -","- C12 H10 Ag N7 O3 -","- C48 H40 Ag4 N28 O12 -","4","1","","Cheng-Peng Li; Jing-Min Wu; Miao Du","Inducing Effect of Additive Agents on Coordination Assembly of Silver(I) Nitrate with 3,5-Bis(2-pyridyl)-4-amino-1,2,4-triazole: Supramolecular Isomerism and Interconversion","Inorganic Chemistry","2011","50","","9284","9289","10.1021/ic200540c","","","0.71073","MoKα","","0.0236","0.0228","","","0.0574","0.0579","","","","","","1.081","","","","has coordinates","179366","2020-10-21","18:00:00",""
"4326417","10.335","0.002","16.368","0.003","27.235","0.005","90","","90","","90","","4607.2","1.5","191","2","191","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Dy2 N9 O24 -","- C30 H23 Dy2 N9 O24 -","- C120 H92 Dy8 N36 O96 -","4","1","","Yun-Nan Guo; Xiao-Hua Chen; Shufang Xue; Jinkui Tang","Modulating Magnetic Dynamics of Three Dy2 Complexes through Keto-Enol Tautomerism of the o-Vanillin Picolinoylhydrazone Ligand","Inorganic Chemistry","2011","50","","9705","9713","10.1021/ic2014978","","","0.71073","MoKα","","0.0567","0.0443","","","0.0972","0.1038","","","","","","1.011","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326430","8.5334","0.0011","17.997","0.002","20.321","0.003","90","","90","","90","","3120.8","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 N5 Ni -","- C33 H43 N5 Ni -","- C132 H172 N20 Ni4 -","4","1","","Di Zhu; Indira Thapa; Ilia Korobkov; Sandro Gambarotta; Peter H. M. Budzelaar","Redox-Active Ligands and Organic Radical Chemistry","Inorganic Chemistry","2011","50","","9879","9887","10.1021/ic2002145","","","0.71073","MoKα","","0.1243","0.0553","","","0.1082","0.1361","","","","","","0.991","","","","has coordinates","179367","2020-10-21","18:00:00",""
"4326463","14.5421","0.0014","16.0857","0.0016","17.073","0.0017","90","","90","","90","","3993.7","0.7","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H60 Cl2 N O4 Ta -","- C36 H60 Cl2 N O4 Ta -","- C144 H240 Cl8 N4 O16 Ta4 -","4","1","","Alan F. Heyduk; Ryan A. Zarkesh; Andy I. Nguyen","Designing Catalysts for Nitrene Transfer Using Early Transition Metals and Redox-Active Ligands","Inorganic Chemistry","2011","50","","9849","9863","10.1021/ic200911b","","","0.71073","MoKα","","0.0705","0.061","","","0.1511","0.1588","","","","","","1.108","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326480","15.7551","0.0006","16.234","0.0006","17.6627","0.0007","90","","90","","90","","4517.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Ni(pyN2iBu)(OH)] (Et4N) Et2O","","","- C43 H68 N4 Ni O4 -","- C43 H54.35 N4 Ni O4 -","- C172 H217.4 N16 Ni4 O16 -","4","1","","Deguang Huang; Olga V. Makhlynets; Lay Ling Tan; Sonny C. Lee; Elena V. Rybak-Akimova; R. H. Holm","Fast Carbon Dioxide Fixation by 2,6-Pyridinedicarboxamidato-nickel(II)-hydroxide Complexes: Influence of Changes in Reactive Site Environment on Reaction Rates","Inorganic Chemistry","2011","50","","10070","10081","10.1021/ic200942u","","","0.71073","MoKα","","0.0837","0.0688","","","0.1922","0.2083","","","","","","1.062","","","","has coordinates,has disorder","179367","2020-10-21","18:00:00",""
"4326491","14.221","0.001","20.226","0.001","27.156","0.002","90","","90","","90","","7811","0.9","170.2","","170.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H117 Cl5 N4 Re6 S8 -","- C59 H117 Cl5 N4 Re6 S8 -","- C236 H468 Cl20 N16 Re24 S32 -","4","1","","Takashi Yoshimura; Shoji Ishizaka; Tatsuya Kashiwa; Akitaka Ito; Eri Sakuda; Atsushi Shinohara; Noboru Kitamura","direct Observation of a {Re6(μ3-S)8} Core-to-Ligand Charge-Transfer Excited State in an Octahedral Hexarhenium Complex","Inorganic Chemistry","2011","50","","9918","9920","10.1021/ic2010858","","","0.7107","MoKα","","","0.0295","","","","0.0665","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326507","11.7095","0.0006","14.259","0.0007","19.391","0.0011","90","","90","","90","","3237.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Co I2 N P2 -","- C34 H33 Co I2 N P2 -","- C136 H132 Co4 I8 N4 P8 -","4","1","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.0306","0.0224","","","0.0316","0.0326","","","","","","1.268","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4326509","9.288","0.0004","13.5281","0.0005","27.2546","0.0011","90","","90","","90","","3424.5","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H37 Co I2 N O P2 -","- C36 H37 Co I2 N O P2 -","- C144 H148 Co4 I8 N4 O4 P8 -","4","1","","Qingchen Dong; Michael J. Rose; Wai-Yeung Wong; Harry B. Gray","Dual Coordination Modes of Ethylene-Linked NP2 Ligands in Cobalt(II) and Nickel(II) Iodides","Inorganic Chemistry","2011","50","","10213","10224","10.1021/ic201213c","","","0.71073","MoKα","","0.0283","0.0241","","","0.0376","0.0381","","","","","","1.548","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4326511","15.631","0.001","16.2439","0.0011","32.635","0.002","90","","90","","90","","8286.3","0.9","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80.02 H51 Cl10.03 Cu2 N5 O20.73 -","- C80.016 H51 Cl10.032 Cu2 N5 O20.73 -","- C320.064 H204 Cl40.128 Cu8 N20 O82.92 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.1205","0.0719","","","0.1714","0.1912","","","","","","0.954","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326512","17.7756","0.0012","18.5085","0.0013","22.727","0.0016","90","","90","","90","","7477.2","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C82 H80 Cu2 N5 O19.5 -","- C82 H80 Cu2 N5 O19.5 -","- C328 H320 Cu8 N20 O78 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.081","0.0695","","","0.189","0.1949","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4326514","15.3235","0.0005","21.9549","0.0008","50.9472","0.0018","90","","90","","90","","17140","1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C143 H121 Cl6 Cu4 N17 O44 -","- C143 H121 Cl6 Cu4 N17 O44 -","- C572 H484 Cl24 Cu16 N68 O176 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.051","0.0433","","","0.1007","0.1038","","","","","","1.041","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326515","15.1091","0.0008","21.4458","0.0012","52.381","0.003","90","","90","","90","","16972.8","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C153 H133 Cu4 N17 O52 -","- C153 H129 Cu4 N17 O52 -","- C612 H516 Cu16 N68 O208 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.1534","0.0866","","","0.194","0.222","","","","","","0.846","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326516","15.25","0.002","21.548","0.003","52.359","0.007","90","","90","","90","","17206","4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C136.32 H100.48 Cu4 N17 O42.16 -","- C136.32 H99.48 Cu4 N17 O42.16 -","- C545.28 H397.92 Cu16 N68 O168.64 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.0979","0.08","","","0.2106","0.2215","","","","","","1.044","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326517","15.1728","0.0015","21.67","0.002","52.697","0.005","90","","90","","90","","17326","3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C138 H103 Cu4 N17 O43 -","- C138 H102 Cu4 N17 O43 -","- C552 H408 Cu16 N68 O172 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.1232","0.0782","","","0.166","0.1814","","","","","","0.879","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4326518","15.2568","0.0011","21.8967","0.0016","52.72","0.004","90","","90","","90","","17612","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C143 H113 Cu4 N17 O46 -","- C143 H111 Cu4 N17 O46 -","- C572 H444 Cu16 N68 O184 -","4","1","","Daniel L. Reger; Jacob J. Horger; Agota Debreczeni; Mark D. Smith","Syntheses and Characterization of Copper(II) Carboxylate Dimers Formed from Enantiopure Ligands Containing a Strong π...π Stacking Synthon: Enantioselective Single-Crystal to Single-Crystal Gas/Solid-Mediated Transformations","Inorganic Chemistry","2011","50","","10225","10240","10.1021/ic201238n","","","0.71073","MoKα","","0.0884","0.0796","","","0.2061","0.2128","","","","","","1.021","","","","has coordinates,has disorder","179368","2020-10-21","18:00:00",""
"4326542","8.624","0.0017","11.687","0.002","20.052","0.004","90","","90","","90","","2021","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cs O3 -","- C21 H21 Cs O3 -","- C84 H84 Cs4 O12 -","4","1","","Timothy J. Boyle; Leigh Anna M. Steele; Alia M. Saad; Mark A. Rodriguez; Todd M. Alam; Sarah K. McIntyre","Structural Diversity in a Series of Alkyl-Substituted Cesium Aryloxides","Inorganic Chemistry","2011","50","","10363","10370","10.1021/ic201438s","","","0.71073","MoKα","","0.063","0.0474","","","0.084","0.0901","","","","","","1.092","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326580","15.733","0.003","16.348","0.003","19.759","0.004","90","","90","","90","","5082.1","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28.5 H69.25 Cl8 P8 W2 -","- C28.61 H69.22 Cl8 P8 W2 -","- C114.44 H276.88 Cl32 P32 W8 -","4","1","","Jibin Sun; Sarah E. Shaner; Marya K. Jones; Daniel C. O'Hanlon; Jeffrey S. Mugridge; Michael D. Hopkins","Correction to Synthesis, Structures, Bonding, and Redox Chemistry of Ditungsten Butadiyne Complexes with W\τbC-C\τbW Backbones","Inorganic Chemistry","2011","50","","10516","10516","10.1021/ic201710s","","","0.71073","MoKα","","0.0404","0.0376","","","0.0862","0.0878","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326596","7.3783","0.0015","8.3748","0.0019","22.125","0.005","90","","90","","90","","1367.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(SP-4-3)-{(1R,2R)-cyclohexane-1,2-diamine}(3-hydroxy-2- (oxidoimino)propan-1-olato-kappa^2^N,O)platinum(II)","","- C9 H23 N3 O5 Pt -","- C9 H23 N3 O5 Pt -","- C36 H92 N12 O20 Pt4 -","4","1","","Yulia Yu. Scaffidi-Domianello; Anton A. Legin; Michael A. Jakupec; Vladimir B. Arion; Vadim Yu. Kukushkin; Markus Galanski; Bernhard K. Keppler","Synthesis, Characterization, and Cytotoxic Activity of Novel Potentially pH-Sensitive Nonclassical Platinum(II) Complexes Featuring 1,3-Dihydroxyacetone Oxime Ligands","Inorganic Chemistry","2011","50","","10673","10681","10.1021/ic2010612","","","0.71073","MoKα","","0.0794","0.0556","","","0.1071","0.1145","","","","","","1.009","","","","has coordinates","179368","2020-10-21","18:00:00",""
"4326670","14.4859","0.0019","14.583","0.002","18.137","0.003","90","","90","","90","","3831.4","1","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 In2 N6 Ni O Se5 -","- C36 H24 In2 N6 Ni O Se5 -","- C144 H96 In8 N24 Ni4 O4 Se20 -","4","1","","Xu Zhang; Zhi-Xin Lei; Wen Luo; Wen-Qin Mu; Xiang Zhang; Qin-Yu Zhu; Jie Dai","1-D Selenidoindates {[In2Se5]}∞directed by Chiral Metal Complex Cations of 1,10-Phenanthroline","Inorganic Chemistry","2011","50","","10872","10877","10.1021/ic201404t","","","0.71075","MoKα","","0.0909","0.0768","","","0.1407","0.1473","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326671","14.501","0.003","14.584","0.003","18.146","0.004","90","","90","","90","","3837.6","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 In2 N6 Ni O Se5 -","- C36 H24 In2 N6 Ni O Se5 -","- C144 H96 In8 N24 Ni4 O4 Se20 -","4","1","","Xu Zhang; Zhi-Xin Lei; Wen Luo; Wen-Qin Mu; Xiang Zhang; Qin-Yu Zhu; Jie Dai","1-D Selenidoindates {[In2Se5]}∞directed by Chiral Metal Complex Cations of 1,10-Phenanthroline","Inorganic Chemistry","2011","50","","10872","10877","10.1021/ic201404t","","","0.71073","MoKα","","0.1137","0.0719","","","0.1205","0.1429","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326672","14.498","0.004","14.654","0.004","17.852","0.005","90","","90","","90","","3792.7","1.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Fe In2 N6 O Se5 -","- C36 H24 Fe In2 N6 O Se5 -","- C144 H96 Fe4 In8 N24 O4 Se20 -","4","1","","Xu Zhang; Zhi-Xin Lei; Wen Luo; Wen-Qin Mu; Xiang Zhang; Qin-Yu Zhu; Jie Dai","1-D Selenidoindates {[In2Se5]}∞directed by Chiral Metal Complex Cations of 1,10-Phenanthroline","Inorganic Chemistry","2011","50","","10872","10877","10.1021/ic201404t","","","0.71075","MoKα","","0.124","0.0801","","","0.0999","0.1165","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4326704","8.0503","0.0016","8.8185","0.0018","22.972","0.005","90","","90","","90","","1630.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H8 N12 O0 Zn -","- C16 H8 N12 Zn -","- C64 H32 N48 Zn4 -","4","1","","Tong-Liang Hu; Ying Tao; Ze Chang; Xian-He Bu","Zinc(II) Complexes with a Versatile Multitopic Tetrazolate-Based Ligand Showing Various Structures: Impact of Reaction Conditions on the Final Product Structures","Inorganic Chemistry","2011","50","","10994","11003","10.1021/ic2015463","","","0.71073","MoKα","","0.0329","0.0301","","","0.0727","0.074","","","","","","1.074","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326731","13.0005","0.0005","21.2408","0.001","21.7244","0.0009","90","","90","","90","","5999","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C57 H49 Ag2 Cl3 N12 O6 P2 S2 -","- C57 H49 Ag2 Cl3 N12 O6 P2 S2 -","- C228 H196 Ag8 Cl12 N48 O24 P8 S8 -","4","1","","Claudio Pettinari; Fabio Marchetti; Giulio Lupidi; Luana Quassinti; Massimo Bramucci; Dezemona Petrelli; Luca A. Vitali; M. Fátima C. Guedes da Silva; Luísa M. D. R. S. Martins; Piotr Smoleński; Armando J. L. Pombeiro","Synthesis, Antimicrobial and Antiproliferative Activity of Novel Silver(I) Tris(pyrazolyl)methanesulfonate and 1,3,5-Triaza-7-phosphadamantane Complexes","Inorganic Chemistry","2011","50","","11173","11183","10.1021/ic201714c","","","0.71069","MoKα","","0.0829","0.0451","","","0.07","0.0778","","","","","","1","","","","has coordinates","179370","2020-10-21","18:00:00",""
"4326830","10.064","0.002","10.522","0.002","26.34","0.005","90","","90","","90","","2789.2","0.9","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Λ-Bis{(R)-N-(1-(4-bromophenyl)ethyl)salicylaldiminato- κ^2^N,O}zinc(II)","","- C30 H26 Br2 N2 O2 Zn -","- C30 H26 Br2 N2 O2 Zn -","- C120 H104 Br8 N8 O8 Zn4 -","4","1","","Anne-Christine Chamayou; Steffen Lüdeke; Volker Brecht; Teresa B. Freedman; Laurence A. Nafie; Christoph Janiak","Chirality and Diastereoselection of Δ/Λ-Configured Tetrahedral Zinc Complexes through Enantiopure Schiff Base Complexes: Combined Vibrational Circular Dichroism, Density Functional Theory, 1H NMR, and X-ray Structural Studies","Inorganic Chemistry","2011","50","","11363","11374","10.1021/ic2009557","","","0.71073","MoKα","","0.0676","0.0396","","","0.0646","0.0705","","","","","","1.001","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326833","9.859","0.002","10.464","0.002","26.47","0.005","90","","90","","90","","2730.8","0.9","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Δ-Bis{(S)-N-(1-(4-chlorophenyl)ethyl)salicylaldiminato- κ^2^N,O}zinc(II)","","- C30 H26 Cl2 N2 O2 Zn -","- C30 H26 Cl2 N2 O2 Zn -","- C120 H104 Cl8 N8 O8 Zn4 -","4","1","","Anne-Christine Chamayou; Steffen Lüdeke; Volker Brecht; Teresa B. Freedman; Laurence A. Nafie; Christoph Janiak","Chirality and Diastereoselection of Δ/Λ-Configured Tetrahedral Zinc Complexes through Enantiopure Schiff Base Complexes: Combined Vibrational Circular Dichroism, Density Functional Theory, 1H NMR, and X-ray Structural Studies","Inorganic Chemistry","2011","50","","11363","11374","10.1021/ic2009557","","","0.71073","MoKα","","0.081","0.0492","","","0.0851","0.0952","","","","","","0.973","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326834","9.8239","0.0014","10.4309","0.0016","26.433","0.004","90","","90","","90","","2708.6","0.7","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Λ-Bis{(R)-N-(1-(4-chlorophenyl)ethyl)salicylaldiminato- κ^2^N,O}zinc(II)","","- C30 H26 Cl2 N2 O2 Zn -","- C30 H26 Cl2 N2 O2 Zn -","- C120 H104 Cl8 N8 O8 Zn4 -","4","1","","Anne-Christine Chamayou; Steffen Lüdeke; Volker Brecht; Teresa B. Freedman; Laurence A. Nafie; Christoph Janiak","Chirality and Diastereoselection of Δ/Λ-Configured Tetrahedral Zinc Complexes through Enantiopure Schiff Base Complexes: Combined Vibrational Circular Dichroism, Density Functional Theory, 1H NMR, and X-ray Structural Studies","Inorganic Chemistry","2011","50","","11363","11374","10.1021/ic2009557","","","0.71073","MoKα","","0.051","0.0383","","","0.0719","0.0754","","","","","","1.027","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4326879","12.597","0.002","13.704","0.003","23.683","0.005","90","","90","","90","","4088.4","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H66 Cu N3 O4.5 -","- C41 H65 Cu N3 O4.5 -","- C164 H260 Cu4 N12 O18 -","4","1","","Rajendra Shakya; Zhaodong Wang; Douglas R. Powell; Robert P. Houser","Tetradentate vs Pentadentate Coordination in Copper(II) Complexes of Pyridylbis(aminophenol) Ligands Depends on Nucleophilicity of Phenol Donors","Inorganic Chemistry","2011","50","","11581","11591","10.1021/ic201536c","","","0.71073","MoKα","","0.0285","0.0273","","","0.0757","0.0769","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4326886","12.6108","0.0003","12.7982","0.0003","14.974","0.0003","90","","90","","90","","2416.74","0.09","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl N O4 Ru S4 -","- C21 H28 Cl N O4 Ru S4 -","- C84 H112 Cl4 N4 O16 Ru4 S16 -","4","1","","Siu-Chung Chan; Ho-Yuen Cheung; Chun-Yuen Wong","Ruthenium Complexes Containing 2-(2-Nitrosoaryl)pyridine: Structural, Spectroscopic, and Theoretical Studies","Inorganic Chemistry","2011","50","","11636","11643","10.1021/ic201570d","","","1.54178","CuKα","","0.0565","0.0559","","","0.1327","0.1332","","","","","","1.085","","","","has coordinates","179371","2020-10-21","18:00:00",""
"4327014","9.2997","0.0002","14.4254","0.0004","18.5866","0.0005","90","","90","","90","","2493.43","0.11","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Cl4 N2 P2 U -","- C18 H28 Cl4 N2 P2 U -","- C72 H112 Cl16 N8 P8 U4 -","4","1","","Brian S. Newell; Trevor C. Schwaab; Matthew P. Shores","Synthesis and Characterization of a Novel Tetranuclear 5f Compound: A New Synthon for Exploring U(IV) Chemistry","Inorganic Chemistry","2011","50","","12108","12115","10.1021/ic201670z","","","0.71073","MoKα","","0.0323","0.0243","","","0.0426","0.0447","","","","","","1.033","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327015","12.6594","0.0005","14.0045","0.0006","41.7425","0.0019","90","","90","","90","","7400.5","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H32 Cl4 P4 U -","- C12 H32 Cl4 P4 U -","- C144 H384 Cl48 P48 U12 -","12","3","","Brian S. Newell; Trevor C. Schwaab; Matthew P. Shores","Synthesis and Characterization of a Novel Tetranuclear 5f Compound: A New Synthon for Exploring U(IV) Chemistry","Inorganic Chemistry","2011","50","","12108","12115","10.1021/ic201670z","","","0.71073","MoKα","","0.0429","0.0309","","","0.0517","0.0551","","","","","","1.02","","","","has coordinates","179373","2020-10-21","18:00:00",""
"4327035","9.4842","0.0001","14.1967","0.0002","16.5538","0.0002","90","","90","","90","","2228.88","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ti(Me3[9]ane)(NOtBu)Cl2","","- C14 H32 Cl4 N4 O Ti -","- C14 H32 Cl4 N4 O Ti -","- C56 H128 Cl16 N16 O4 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium tert-Butoxyimido Compounds","Inorganic Chemistry","2011","50","","12155","12171","10.1021/ic201896q","","","0.71073","MoKα","","0.0576","0.04","","0.0621","0.0391","0.0368","","","","","","1.1168","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327037","7.0669","0.0002","12.7144","0.0003","18.4571","0.0005","90","","90","","90","","1658.4","0.08","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ti(NOtBu)(Me3[6]aneN3)Cl2","","- C10 H24 Cl2 N4 O Ti -","- C10 H24 Cl2 N4 O Ti -","- C40 H96 Cl8 N16 O4 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium tert-Butoxyimido Compounds","Inorganic Chemistry","2011","50","","12155","12171","10.1021/ic201896q","","","0.71073","MoKα","","0.0466","0.036","","0.045","0.0388","0.0378","","","","","","1.0571","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327040","10.055","0.0002","15.5409","0.0003","17.4207","0.0004","90","","90","","90","","2722.22","0.1","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ti(N2NMe)(NOtBu)(py)","","- C20 H43 N5 O Si2 Ti -","- C20 H43 N5 O Si2 Ti -","- C80 H172 N20 O4 Si8 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium tert-Butoxyimido Compounds","Inorganic Chemistry","2011","50","","12155","12171","10.1021/ic201896q","","","0.71073","MoKα","","0.0696","0.0457","","0.079","0.0513","0.0457","","","","","","0.9268","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327132","10.3334","0.0006","16.4848","0.0009","18.6221","0.001","90","","90","","90","","3172.2","0.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 Cl2 Mn N5 -","- C34 H39 Cl2 Mn N5 -","- C136 H156 Cl8 Mn4 N20 -","4","1","","Yu He; John D. Gorden; Christian R. Goldsmith","Steric Modifications Tune the Regioselectivity of the Alkane Oxidation Catalyzed by Non-Heme Iron Complexes","Inorganic Chemistry","2011","50","","12651","12660","10.1021/ic201695a","","","0.71073","MoKα","","0.0935","0.0391","","","0.0588","0.07","","","","","","0.67","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327133","10.3299","0.001","16.3604","0.0016","18.4921","0.0018","90","","90","","90","","3125.2","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 Cl2 Fe N5 -","- C34 H39 Cl2 Fe N5 -","- C136 H156 Cl8 Fe4 N20 -","4","1","","Yu He; John D. Gorden; Christian R. Goldsmith","Steric Modifications Tune the Regioselectivity of the Alkane Oxidation Catalyzed by Non-Heme Iron Complexes","Inorganic Chemistry","2011","50","","12651","12660","10.1021/ic201695a","","","0.71073","MoKα","","0.0634","0.0509","","","0.0961","0.1018","","","","","","1.065","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327134","14.9875","0.0007","16.5523","0.0008","19.8461","0.001","90","","90","","90","","4923.4","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 F12 Fe N6 Sb2 -","- C36 H42 F12 Fe N6 Sb2 -","- C144 H168 F48 Fe4 N24 Sb8 -","4","1","","Yu He; John D. Gorden; Christian R. Goldsmith","Steric Modifications Tune the Regioselectivity of the Alkane Oxidation Catalyzed by Non-Heme Iron Complexes","Inorganic Chemistry","2011","50","","12651","12660","10.1021/ic201695a","","","0.71073","MoKα","","0.0644","0.048","","","0.1088","0.1155","","","","","","0.975","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327171","5.6639","0.0004","18.2454","0.0012","19.7061","0.0013","90","","90","","90","","2036.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 S2 -","- C24 H20 N2 O2 S2 -","- C96 H80 N8 O8 S8 -","4","1","","Jacquelyn T. Price; Melanie Lui; Nathan D. Jones; Paul J. Ragogna","Group 15 Pnictenium Cations Supported by a Conjugated Bithiophene Backbone","Inorganic Chemistry","2011","50","","12810","12817","10.1021/ic201983n","","","0.71073","MoKα","","0.0451","0.0351","","","0.0836","0.0884","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327180","5.6831","0.0011","12.394","0.003","16.849","0.003","90","","90","","90","","1186.8","0.4","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Bi2 I4 O13 -","- Bi2 I4 O13 -","- Bi8 I16 O52 -","4","1","","Zhenbo Cao; Yinchao Yue; Jiyong Yao; Zheshuai Lin; Ran He; Zhanggui Hu","Bi2(IO4)(IO3)3: A New Potential Infrared Nonlinear Optical Material Containing [IO4]3- Anion","Inorganic Chemistry","2011","50","","12818","12822","10.1021/ic201991m","","x-ray","0.71073","MoKα","","0.0304","0.0258","","","0.0529","0.0546","","","","","","0.567","","","","has coordinates","179374","2020-10-21","18:00:00",""
"4327268","6.4406","0.0002","14.9072","0.0005","42.412","0.001","90","","90","","90","","4072","0.2","153.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H56 Cu3 N2 O14 -","- C40 H56 Cu3 N2 O14 -","- C160 H224 Cu12 N8 O56 -","4","1","","Ajay K. Sah; Tomoaki Tanase; Masahiro Mikuriya","Tri- and Tetranuclear Copper(II) Complexes Consisting of Mononuclear Cu(II) Chiral Building Blocks with a Sugar-Derived Schiff's Base Ligand","Inorganic Chemistry","2006","45","","2083","2092","10.1021/ic051862+","","","0.7107","MoKα","","","0.04","","","","0.05","","","","","","0.409","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327307","9.149","0.0001","16.139","0.0001","29.014","0.0003","90","","90","","90","","4284.08","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H68 O16 Ti3 -","- C32 H68 O16 Ti3 -","- C128 H272 O64 Ti12 -","4","1","","Christopher J. Chuck; Matthew G. Davidson; Matthew D. Jones; Gabriele Kociok-Köhn; Matthew D. Lunn; Stephen Wu","Air-Stable Titanium Alkoxide Based Metal-Organic Framework as an Initiator for Ring-Opening Polymerization of Cyclic Esters","Inorganic Chemistry","2006","45","","6595","6597","10.1021/ic060969+","","","0.71073","MoKα","","0.0481","0.0347","","","0.078","0.0842","","","","","","1.054","","","","has coordinates","179376","2020-10-21","18:00:00",""
"4327473","10.727","0.002","11.636","0.002","14.411","0.003","90","","90","","90","","1798.8","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","N-Isopropanoldithiazinane","O-Dimethylchloroaluminum-O-dimethylaluminum-1-methyl- -2-(1,3,5-dithiazinan-5-yl)-ethanolate","","- C10 H24 Al2 Cl N O S2 -","- C10 H24 Al2 Cl N O S2 -","- C40 H96 Al8 Cl4 N4 O4 S8 -","4","1","","Juan Carlos Gálvez-Ruiz; Henrich Nöth; Angelina Flores-Parra","Organometallic Aluminum Compounds Derived from 2-(1,3,5-Dithiazinan-5-yl)ethanol Ligands1","Inorganic Chemistry","2003","42","","7569","7578","10.1021/ic034642+","","","0.71073","MoKα","","0.062","0.0408","","","0.0869","0.0968","","","","","","1.032","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4327501","6.9085","0.0002","11.9893","0.0003","15.6103","0.0004","90","","90","","90","","1292.97","0.06","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cu N2 O8 -","- C10 H14 Cu N2 O8 -","- C40 H56 Cu4 N8 O32 -","4","1","","Chih-Chieh Wang; Cheng-Han Yang; Chia-Hwa Lee; Gene-Hsiang Lee","Hydrothermal Synthesis and Structural Characterization of a Two-Dimensional Polymeric Copper(II) Complex Containing an Unusual Bridged H2edta2-Ligand","Inorganic Chemistry","2002","41","","429","432","10.1021/ic010873+","","","0.71073","MoKα","","0.0496","0.036","","","0.0869","0.0921","","","","","","1.024","","","","has coordinates","179378","2020-10-21","18:00:00",""
"4327640","12.3856","0.0006","12.8029","0.0007","16.4921","0.0009","90","","90","","90","","2615.2","0.2","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 Cl2 Ni O8 S4 -","- C18 H32 Cl2 Ni O8 S4 -","- C72 H128 Cl8 Ni4 O32 S16 -","4","1","","Chandrika P. Kulatilleke; Scott N. Goldie; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Formation and Dissociation Kinetics and Crystal Structures of Nickel(II)-Macrocyclic Tetrathiaether Complexes in Acetonitrile. Comparison to Nickel(II)-Macrocyclic Tetramines","Inorganic Chemistry","2000","39","","1444","1453","10.1021/ic991019+","","","0.71073","MoKα","","0.0794","0.0476","","0.1265","0.1132","","","","0.945","1.057","1.057","","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327643","9.5786","0.0005","14.179","0.0007","19.0814","0.001","90","","90","","90","","2591.5","0.2","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 Cl2 Ni O8 S4 -","- C18 H32 Cl2 Ni O8 S4 -","- C72 H128 Cl8 Ni4 O32 S16 -","4","1","","Chandrika P. Kulatilleke; Scott N. Goldie; Mary Jane Heeg; L. A. Ochrymowycz; D. B. Rorabacher","Formation and Dissociation Kinetics and Crystal Structures of Nickel(II)-Macrocyclic Tetrathiaether Complexes in Acetonitrile. Comparison to Nickel(II)-Macrocyclic Tetramines","Inorganic Chemistry","2000","39","","1444","1453","10.1021/ic991019+","","","0.71073","MoKα","","0.0846","0.0554","","0.1453","0.1313","","","","0.971","1.123","1.123","","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327658","12.819","0.001","21.056","0.002","22.638","0.002","90","","90","","90","","6110.4","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H58 Cl3 Eu N15 O12.5 -","- C56 H57 Cl3 Eu N15 O12.5 -","- C224 H228 Cl12 Eu4 N60 O50 -","4","1","","Cheng-Yong Su; Bei-Sheng Kang; Han-Qin Liu; Qi-Guang Wang; Zhong-Ning Chen; Zhong-Ling Lu; Ye-Xiang Tong; Thomas C. W. Mak","Luminescent Lanthanide Complexes with Encapsulating Polybenzimidazole Tripodal Ligands","Inorganic Chemistry","1999","38","","1374","1375","10.1021/ic980899+","","","0.71073","MoKα","","0.0956","0.0884","","0.2508","0.234","","","","1.071","1.086","1.086","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4327662","9.247","0.003","17.956","0.009","19.869","0.009","90","","90","","90","","3299","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Chloro[2-(diphenylphosphino)ethanethiolato-P,S]-triphenylphospinepalladium(II)","","- C33 H31 Cl3 P2 Pd S -","- C33 H31 Cl3 P2 Pd S -","- C132 H124 Cl12 P8 Pd4 S4 -","4","1","","Nuria Brugat; Alfonso Polo; Ángel Álvarez-Larena; J. Francesc Piniella; Julio Real","Palladium Phosphinothiolato Complexes. Syntheses and Crystal Structures of Mononuclear [PdCl(SC2H4PPh2)PPh3] and Binuclear [Pd2Cl2(μ-SC3H6PPh2)2] and Their Performance in Catalytic Carbonylation","Inorganic Chemistry","1999","38","","4829","4837","10.1021/ic981224+","","","0.71069","MoKα","","0.0701","0.0435","","0.1023","0.0985","","","","0.934","1.082","1.082","","","","","has coordinates,has disorder","179379","2020-10-21","18:00:00",""
"4327666","6.788","0.001","12.799","0.001","16.999","0.002","90","","90","","90","","1476.9","0.3","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H18 Cl Co N2 O5 S2 -","- C8 H16 Cl Co N2 O5 S2 -","- C32 H64 Cl4 Co4 N8 O20 S8 -","4","1","","Toshiaki Yonemura; Kimi Shibuya; Tomoharu Ama; Hiroshi Kawaguchi; Ken-ichi Okamoto; Jinsai Hidaka; Takaji Yasui","Three-Membered -SCoCH2 Chelate Ring Complex Formed by Photodecarboxylation Reaction of Optically Active trans(O)-[Co(edtda)(en)]Cl (edtda = Ethylenedithiodiacetate)","Inorganic Chemistry","1999","38","","3244","3247","10.1021/ic981391+","","","0.7107","MoKα","","","0.035","","","0.05","","","","","","","","","","","has coordinates","198748","2020-10-21","18:00:00",""
"4327668","12.147","0.003","20.32","0.004","26.646","0.005","90","","90","","90","","6577","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O3 -","- C21 H30 N2 O3 -","- C252 H360 N24 O36 -","12","3","","Oliver Brosch; Thomas Weyhermüller; Nils Metzler-Nolte","Synthesis of Alkynyl Amino Acids and Peptides and Their Palladium-Catalyzed Coupling to Ferrocene","Inorganic Chemistry","1999","38","","5308","5313","10.1021/ic990256+","","","0.71073","MoKα","","0.0887","0.0598","","0.1391","0.1281","","","","0.933","1.042","1.042","","","","","has coordinates","179379","2020-10-21","18:00:00",""
"4327678","12.3349","0.0007","21.523","0.002","27.393","0.002","90","","90","","90","","7272.4","1","150","2","150","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C32.25 H36.5 Cl3.5 F3 N3 O4 P Ru S -","- C30.5 H34 Cl F1.5 N3 O2.5 P Ru S0.5 -","- C244 H272 Cl8 F12 N24 O20 P8 Ru8 S4 -","8","2","","Rob A. T. M. Abbenhuis; Ignacio del Río; Michel M. Bergshoef; Jaap Boersma; Nora Veldman; Anthony L. Spek; Gerard van Koten","16- and 18-Electron Ruthenium(II) Complexes of the Neutral, Potentially Tridentate Triamine Ligand 2,6-[Bis(dimethylamino)methyl]pyridine (NN'N)","Inorganic Chemistry","1998","37","","1749","1758","10.1021/ic971061+","","","0.71073","MoKα","","0.0876","0.0589","","0.1263","0.117","","","","0.949","1.081","1.081","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327717","19.654","0.002","19.865","0.002","14.792","0.001","90","","90","","90","","5775.2","0.9","293","2","293","2","","","","","","","synthesized","7","P 21 21 21","P 2ac 2ab","19","","Bis[dibromo(μ-bis(diphenylphosphino)amine)molybdenum(II)]","","- C56 H58 Br4 Mo2 N2 O2 P4 -","- C56 H42 Br4 Mo2 N2 O2 P4 -","- C224 H168 Br16 Mo8 N8 O8 P16 -","4","1","","Deirdre I. Arnold; F. Albert Cotton; Fritz E. Kühn","Preparation and Characterization of Bis[dihalo(μ-bis(diphenylphosphino)amine)molybdenum(II)] Complexes","Inorganic Chemistry","1996","35","","5764","5769","10.1021/ic960325+","","","1.54184","CuKα","","0.1043","0.0451","","0.1124","0.0932","","","","1.069","1.086","1.086","","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327741","8.39499","0.00019","13.1183","0.0003","26.1858","0.0008","90","","90","","90","","2883.79","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 N6 Ru -","- C32 H36 N6 Ru -","- C128 H144 N24 Ru4 -","4","1","","Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi","Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N""-Triarylguanidinate Complexes","Inorganic Chemistry","2012","51","","157","169","10.1021/ic201343w","","","0.71073","MoKα","","0.0454","0.0357","","","0.0803","0.0831","","","","","","0.974","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327742","9.1199","0.0002","17.675","0.0006","18.9166","0.0005","90","","90","","90","","3049.25","0.15","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 N6 O3 Ru -","- C32 H36 N6 O3 Ru -","- C128 H144 N24 O12 Ru4 -","4","1","","Taruna Singh; Ram Kishan; Munirathinam Nethaji; Natesan Thirupathi","Synthesis, Reactivity Studies, Structural Aspects, and Solution Behavior of Half Sandwich Ruthenium(II) N,N',N""-Triarylguanidinate Complexes","Inorganic Chemistry","2012","51","","157","169","10.1021/ic201343w","","","0.71073","MoKα","","0.0453","0.0331","","","0.0532","0.0554","","","","","","0.865","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327836","9.8366","0.0003","14.4429","0.0006","25.2233","0.0011","90","","90","","90","","3583.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H30 As Mn N7 S4 -","- C37 H30 As Mn N7 S4 -","- C148 H120 As4 Mn4 N28 S16 -","4","1","","Guang-Ning Liu; Guo-Cong Guo; Feng Chen; Shuai-Hua Wang; Jing Sun; Jin-Shun Huang","Structural Diversity, Optical and Magnetic Properties of a Series of Manganese Thioarsenates with 1,10-Phenanthroline or 2,2'-Bipyridine Ligands: Using Monodentate Methylamine as an Alkalinity Regulator","Inorganic Chemistry","2012","51","","472","482","10.1021/ic201932z","","","0.71073","MoKα","","0.0384","0.0368","","","0.0799","0.081","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327837","9.8324","0.0003","14.4376","0.0005","25.1974","0.0008","90","","90","","90","","3576.9","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H30 As Mn N7 S4 -","- C37 H30 As Mn N7 S4 -","- C148 H120 As4 Mn4 N28 S16 -","4","1","","Guang-Ning Liu; Guo-Cong Guo; Feng Chen; Shuai-Hua Wang; Jing Sun; Jin-Shun Huang","Structural Diversity, Optical and Magnetic Properties of a Series of Manganese Thioarsenates with 1,10-Phenanthroline or 2,2'-Bipyridine Ligands: Using Monodentate Methylamine as an Alkalinity Regulator","Inorganic Chemistry","2012","51","","472","482","10.1021/ic201932z","","","0.71073","MoKα","","0.026","0.0238","","","0.049","0.0498","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4327845","7.8595","0.0016","13.291","0.003","13.327","0.003","90","","90","","90","","1392.1","0.5","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H14 N3 O15 Pr -","- C4 H14 N3 O15 Pr -","- C16 H56 N12 O60 Pr4 -","4","1","","Limin Yang; Xiaohui Hua; Junhui Xue; Qinghua Pan; Lei Yu; Weihong Li; Yizhuang Xu; Guozhong Zhao; Liming Liu; Kexin Liu; Jia'er Chen; Jinguang Wu","Interactions between Metal Ions and Carbohydrates. Spectroscopic Characterization and the Topology Coordination Behavior of Erythritol with Trivalent Lanthanide Ions","Inorganic Chemistry","2012","51","","499","510","10.1021/ic2019605","","","0.71073","MoKα","","0.0332","0.0325","","","0.0713","0.0729","","","","","","1.08","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327847","7.8685","0.0016","13.304","0.003","13.323","0.003","90","","90","","90","","1394.7","0.5","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H14 Ce N3 O15 -","- C4 H14 Ce N3 O15 -","- C16 H56 Ce4 N12 O60 -","4","1","","Limin Yang; Xiaohui Hua; Junhui Xue; Qinghua Pan; Lei Yu; Weihong Li; Yizhuang Xu; Guozhong Zhao; Liming Liu; Kexin Liu; Jia'er Chen; Jinguang Wu","Interactions between Metal Ions and Carbohydrates. Spectroscopic Characterization and the Topology Coordination Behavior of Erythritol with Trivalent Lanthanide Ions","Inorganic Chemistry","2012","51","","499","510","10.1021/ic2019605","","","0.71073","MoKα","","0.02","0.0199","","","0.0472","0.0473","","","","","","1.083","","","","has coordinates","179381","2020-10-21","18:00:00",""
"4327873","10.053","0.004","10.513","0.004","37.598","0.016","90","","90","","90","","3974","3","149","2","149","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C184 H184 N24 O16 -","8","2","","KimNgan T. Hua; Jide Xu; Eliseo E. Quiroz; Sabrina Lopez; Andrew J. Ingram; Victoria Anne Johnson; Angela R. Tisch; Ana de Bettencourt-Dias; Daniel A. Straus; Gilles Muller","Structural and Photophysical Properties of Visible- and Near-IR-Emitting Tris Lanthanide(III) Complexes Formed with the Enantiomers of N,N'-Bis(1-phenylethyl)-2,6-pyridinedicarboxamide","Inorganic Chemistry","2012","51","","647","660","10.1021/ic202094p","","","0.71073","MoKα","","0.0591","0.035","","","0.0594","0.0622","","","","","","0.982","","","","has coordinates,has disorder","179381","2020-10-21","18:00:00",""
"4327935","18.9043","0.0018","19.277","0.002","45.563","0.004","90","","90","","90","","16604","3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C100 N14 Nd2 O54 V18 -","- C100 N14 Nd2 O54 V18 -","- C400 N56 Nd8 O216 V72 -","4","1","","Masaki Nishio; Shinnosuke Inami; Misaki Katayama; Kazuhiko Ozutsumi; Yoshihito Hayashi","Lanthanide Complexes of Macrocyclic Polyoxovanadates by VO4 Units: Synthesis, Characterization, and Structure Elucidation by X-ray Crystallography and EXAFS Spectroscopy","Inorganic Chemistry","2012","51","","784","793","10.1021/ic200638f","","","0.7107","MoKα","","0.1058","0.0749","","","0.1897","0.2064","","","","","","1.01","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327936","18.925","0.003","19.256","0.003","45.494","0.006","90","","90","","90","","16579","4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C100 N14 O54 Sm2 V18 -","- C100 N14 O54 Sm2 V18 -","- C400 N56 O216 Sm8 V72 -","4","1","","Masaki Nishio; Shinnosuke Inami; Misaki Katayama; Kazuhiko Ozutsumi; Yoshihito Hayashi","Lanthanide Complexes of Macrocyclic Polyoxovanadates by VO4 Units: Synthesis, Characterization, and Structure Elucidation by X-ray Crystallography and EXAFS Spectroscopy","Inorganic Chemistry","2012","51","","784","793","10.1021/ic200638f","","","0.7107","MoKα","","0.0759","0.0725","","","0.1962","0.199","","","","","","1.048","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327937","18.88","0.002","19.3","0.002","45.31","0.005","90","","90","","90","","16510","3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C100 N14 O54 Tb2 V18 -","- C100 N14 O54 Tb2 V18 -","- C400 N56 O216 Tb8 V72 -","4","1","","Masaki Nishio; Shinnosuke Inami; Misaki Katayama; Kazuhiko Ozutsumi; Yoshihito Hayashi","Lanthanide Complexes of Macrocyclic Polyoxovanadates by VO4 Units: Synthesis, Characterization, and Structure Elucidation by X-ray Crystallography and EXAFS Spectroscopy","Inorganic Chemistry","2012","51","","784","793","10.1021/ic200638f","","","0.7107","MoKα","","0.0846","0.0764","","","0.2017","0.2064","","","","","","1.045","","","","has coordinates,has disorder","179382","2020-10-21","18:00:00",""
"4327987","5.56","0.002","9.074","0.004","33.529","0.014","90","","90","","90","","1691.6","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O4 S4 -","- C15 H11 N O4 S4 -","- C60 H44 N4 O16 S16 -","4","1","","Fabrice Pointillart; Adrien Bourdolle; Thomas Cauchy; Olivier Maury; Yann Le Gal; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","In Solution Sensitization of Er(III) Luminescence by the 4-Tetrathiafulvalene-2,6-pyridinedicarboxylic Acid Dimethyl Antenna Ligand","Inorganic Chemistry","2012","51","","978","984","10.1021/ic202045a","","","0.71069","MoKα","","0.0721","0.0418","","","0.0951","0.1216","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328007","12.8404","0.0008","13.2495","0.0012","13.7056","0.001","90","","90","","90","","2331.7","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-tert-Butylphenolato)-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C22 H37 N O4 Sn -","- C22 H37 N O4 Sn -","- C88 H148 N4 O16 Sn4 -","4","1","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0529","0.0304","","","0.0309","0.0325","","","","","","0.644","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328013","13.3262","0.0005","13.6034","0.0004","27.0601","0.0012","90","","90","","90","","4905.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-tert-Butylbenzoic)-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecane","","- C23 H37 N O5 Sn -","- C23 H37 N O5 Sn -","- C184 H296 N8 O40 Sn8 -","8","2","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0455","0.0303","","","0.0456","0.0468","","","","","","0.853","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328016","8.7756","0.001","14.519","0.002","17.485","0.004","90","","90","","90","","2227.8","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-Iodido-(2,8,9-trioxa-5-aza-3,3,7,7,10,10-hexamethyl- stannatricyclo[3.3.3.01.5]undecan","","- C19 H32 I N O3 Sn -","- C12 H24 I N O3 Sn -","- C48 H96 I4 N4 O12 Sn4 -","4","1","","Thomas Zöller; Christina Dietz; Ljuba Iovkova-Berends; Olga Karsten; Gerrit Bradtmöller; Ann-Kristin Wiegand; Yu Wang; Viatcheslav Jouikov; Klaus Jurkschat","Novel Stannatranes of the Type N(CH2CMe2O)3SnX (X = OR, SR, OC(O)R, SP(S)Ph2, Halogen). Synthesis, Molecular Structures, and Electrochemical Properties","Inorganic Chemistry","2012","51","","1041","1056","10.1021/ic202179e","","","0.71073","MoKα","","0.0713","0.0348","","","0.0494","0.0518","","","","","","0.756","","","","has coordinates","179383","2020-10-21","18:00:00",""
"4328060","11.8848","0.0005","18.5826","0.0009","20.5032","0.0009","90","","90","","90","","4528.1","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H78 Mg2 N3 P3 Si3 -","- C31 H78 Mg2 N3 P3 Si3 -","- C124 H312 Mg8 N12 P12 Si12 -","4","1","","Diane A. Dickie; Kevin B. Gislason; Richard A. Kemp","Formation of Phosphino-Substituted Isocyanate by Reaction of CO2 with Group 2 Complexes Based on the (Me3Si)(i-Pr2P)NH Ligand","Inorganic Chemistry","2012","51","","1162","1169","10.1021/ic202399z","","","0.71073","MoKα","","0.0437","0.0347","","","0.0844","0.09","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4328076","7.5386","0.0005","13.6533","0.0009","16.25","0.001","90","","90","","90","","1672.56","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NCr(NiPr2)2Cl","","","- C12 H28 Cl Cr N3 -","- C12 H28 Cl Cr N3 -","- C48 H112 Cl4 Cr4 N12 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0284","0.0257","","","0.0628","0.0639","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328081","7.3242","0.0018","13.727","0.003","18.375","0.005","90","","90","","90","","1847.4","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NCr(NiPr2)2(NCS)","","","- C13 H28 Cr N4 S -","- C13 H28 Cr N4 S -","- C52 H112 Cr4 N16 S4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0459","0.0333","","","0.0713","0.0767","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328088","7.8856","0.001","13.0511","0.0016","21.72","0.003","90","","90","","90","","2235.3","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 Cr F3 N3 O -","- C19 H32 Cr F3 N3 O -","- C76 H128 Cr4 F12 N12 O4 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0567","0.0519","","","0.1224","0.1241","","","","","","1.151","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4328098","8.482","0.0003","13.6447","0.0007","23.4931","0.0008","90","","90","","90","","2718.96","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NCr(NiPr2)2(Pyr-Ar(CF3)2)","","","- C24 H34 Cr F6 N4 -","- C24 H34 Cr F6 N4 -","- C96 H136 Cr4 F24 N16 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","1.54178","CuKα","","0.104","0.0709","","","0.172","0.198","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328101","7.5316","0.0005","13.677","0.0009","16.5211","0.0011","90","","90","","90","","1701.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NCr(NiPr2)2Br","","","- C12 H28 Br Cr N3 -","- C12 H28 Br Cr N3 -","- C48 H112 Br4 Cr4 N12 -","4","1","","Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom","Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals","Inorganic Chemistry","2012","51","","1187","1200","10.1021/ic202524r","","x-ray","0.71073","MoKα","","0.0279","0.0228","","","0.0488","0.0504","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4328163","10.3997","0.0009","19.858","0.002","20.508","0.002","90","","90","","90","","4235.3","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 Al F9 Fe3 O6 -","- C42 H30 Al F9 Fe3 O6 -","- C168 H120 Al4 F36 Fe12 O24 -","4","1","","Henno J. Gericke; Alfred J. Muller; Jannie C. Swarts","Electrochemical Illumination of Intramolecular Communication in Ferrocene-Containing tris-β-Diketonato Aluminum(III) Complexes; Cytotoxicity of Al(FcCOCHCOCF3)3","Inorganic Chemistry","2012","51","","1552","1561","10.1021/ic201849u","","","0.71073","MoKα","","","0.0587","","","","0.1501","","","","","","0.983","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328181","5.0463","0.0004","5.6304","0.0005","23.2902","0.0019","90","","90","","90","","661.74","0.1","90","","90","","","","","","","","local laboratory","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 Ag N O2 S -","- C4 H8 Ag N O2 S -","- C16 H32 Ag4 N4 O8 S4 -","4","1","","Noriko Chikaraishi Kasuga; Rie Yoshikawa; Yoshitaka Sakai; Kenji Nomiya","Syntheses, Structures, and Antimicrobial Activities of Remarkably Light-Stable and Water-Soluble Silver Complexes with Amino Acid Derivatives, Silver(I) N-Acetylmethioninates","Inorganic Chemistry","2012","51","","1640","1647","10.1021/ic201950p","","","0.71073","MoKα","","0.0192","0.019","","","0.0446","0.0447","","","","","","1.227","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328189","11.761","0.002","12.061","0.002","21.084","0.004","90","","90","","90","","2990.8","0.9","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H36 B10 Cl2 P2 Pt S -","- C17 H36 B10 Cl2 P2 Pt S -","- C68 H144 B40 Cl8 P8 Pt4 S4 -","4","1","","Jonathan Bould; Jan Macháček; Michael G. S. Londesborough; Ramón Macías; John D. Kennedy; Zdeněk Bastl; Patrick Rupper; Tomáš Baše","Decaborane Thiols as Building Blocks for Self-Assembled Monolayers on Metal Surfaces","Inorganic Chemistry","2012","51","","1685","1694","10.1021/ic202000b","","","0.71073","MoKα","","0.0266","0.0252","","","0.0614","0.0619","","","","","","1.082","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328190","7.1271","0.0014","11.684","0.002","11.88","0.002","90","","90","","90","","989.3","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- B10 H14 S -","- B10 H14 S -","- B40 H56 S4 -","4","1","","Jonathan Bould; Jan Macháček; Michael G. S. Londesborough; Ramón Macías; John D. Kennedy; Zdeněk Bastl; Patrick Rupper; Tomáš Baše","Decaborane Thiols as Building Blocks for Self-Assembled Monolayers on Metal Surfaces","Inorganic Chemistry","2012","51","","1685","1694","10.1021/ic202000b","","","0.71073","MoKα","","0.0298","0.0266","","","0.072","0.0757","","","","","","0.832","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328191","7.1496","0.0001","10.7261","0.0002","12.7584","0.0003","90","","90","","90","","978.41","0.03","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- B10 H14 S -","- B10 H14 S -","- B40 H56 S4 -","4","1","","Jonathan Bould; Jan Macháček; Michael G. S. Londesborough; Ramón Macías; John D. Kennedy; Zdeněk Bastl; Patrick Rupper; Tomáš Baše","Decaborane Thiols as Building Blocks for Self-Assembled Monolayers on Metal Surfaces","Inorganic Chemistry","2012","51","","1685","1694","10.1021/ic202000b","","","0.71073","MoKα","","0.0279","0.0247","","","0.0618","0.063","","","","","","1.082","","","","has coordinates","179384","2020-10-21","18:00:00",""
"4328212","12.5121","0.0003","14.5305","0.0004","21.4119","0.0006","90","","90","","90","","3892.83","0.18","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H39 Cl4 Ir N2 O2 Ru -","- C40 H39 Cl4 Ir N2 O2 Ru -","- C160 H156 Cl16 Ir4 N8 O8 Ru4 -","4","1","","Aurélie Damas; Barbara Ventura; Jamal Moussa; Alessandra Degli Esposti; Lise-Marie Chamoreau; Andrea Barbieri; Hani Amouri","Turning on Red and Near-Infrared Phosphorescence in Octahedral Complexes with Metalated Quinones","Inorganic Chemistry","2012","51","","1739","1750","10.1021/ic202021w","","","0.71073","MoKα","","0.0287","0.0232","","","0.0582","0.06","","","","","","1.013","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328288","15.2724","0.0019","16.107","0.002","18.664","0.003","90","","90","","90","","4591.2","1.1","173","","173","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H47 Cl2 Cu F6 N3 P Sb -","- C46 H47 Cl2 Cu F6 N3 P Sb -","- C184 H188 Cl8 Cu4 F24 N12 P4 Sb4 -","4","1","","Jun Matsumoto; Yuji Kajita; Hideki Masuda","Synthesis, Characterization, and Reactivity of a Novel μ-η2:η2-Diselenidodicopper(II) Complex","Inorganic Chemistry","2012","51","","1236","1238","10.1021/ic202690e","","","0.7107","MoKα","","","0.0582","","","","0.1675","","","","","","1.015","","","","has coordinates","179385","2020-10-21","18:00:00",""
"4328495","11.2787","0.0009","14.5337","0.0012","28.312","0.002","90","","90","","90","","4640.9","0.6","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H68 N3 U -","- C50 H68 N3 U -","- C200 H272 N12 U4 -","4","1","","Paula L. Diaconescu; Christopher C. Cummins","μ-η6,η6-Arene-Bridged Diuranium Hexakisketimide Complexes Isolable in Two States of Charge","Inorganic Chemistry","2012","51","","2902","2916","10.1021/ic202163m","","","0.71073","MoKα","","0.0394","0.0379","","","0.0884","0.0892","","","","","","1.059","","","","has coordinates,has disorder","179387","2020-10-21","18:00:00",""
"4328517","9.561","0.004","11.781","0.005","24.017","0.009","90","","90","","90","","2705.2","1.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 Cl Mo N3 O6 -","- C23 H32 Cl Mo N3 O6 -","- C92 H128 Cl4 Mo4 N12 O24 -","4","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.0293","0.0242","","","0.0589","0.062","","","","","","0.923","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328518","9.609","0.006","12.09","0.007","24.349","0.015","90","","90","","90","","2829","3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 Br Mo N3 O6 -","- C23 H32 Br Mo N3 O6 -","- C92 H128 Br4 Mo4 N12 O24 -","4","1","","Celedonio M. Álvarez; Raúl García-Rodríguez; Daniel Miguel","Iminopyridine Complexes of Manganese, Rhenium, and Molybdenum Derived from Amino Ester Methylserine and Peptides Gly-Gly, Gly-Val, and Gly-Gly-Gly: Self-Assembly of the Peptide Chains","Inorganic Chemistry","2012","51","","2984","2996","10.1021/ic2022984","","","0.71073","MoKα","","0.0518","0.0342","","","0.0707","0.0751","","","","","","0.947","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328580","12.462","0.002","14.307","0.003","21.914","0.004","90","","90","","90","","3907.1","1.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H72 Cl2 P4 Ru -","- C33 H72 Cl2 P4 Ru -","- C132 H288 Cl8 P16 Ru4 -","4","1","","Ryan Gilbert-Wilson; Leslie D. Field; Mohan M. Bhadbhade","New Superhindered Polydentate Polyphosphine Ligands P(CH2CH2PtBu2)3, PhP(CH2CH2PtBu2)2, P(CH2CH2CH2PtBu2)3, and their Ruthenium(II) Chloride Complexes","Inorganic Chemistry","2012","51","","3239","3246","10.1021/ic2027169","","","0.71073","MoKα","","0.1939","0.084","","","0.1695","0.2326","","","","","","0.908","","","","has coordinates","179388","2020-10-21","18:00:00",""
"4328609","6.3462","0.0004","9.2206","0.0006","22.3949","0.0014","90","","90","","90","","1310.45","0.14","153","2","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C H3 Cl5 Ga P5 -","- C H3 Cl5 Ga P5 -","- C4 H12 Cl20 Ga4 P20 -","4","1","","Michael H. Holthausen; Kai-Oliver Feldmann; Stephen Schulz; Alexander Hepp; Jan J. Weigand","Formation of Cationic [RP5Cl]±Cages via Insertion of [RPCl]±Cations into a P-P Bond of the P4 Tetrahedron","Inorganic Chemistry","2012","51","","3374","3387","10.1021/ic2013304","","","0.71073","MoKα","","0.0317","0.0265","","","0.0508","0.0529","","","","","","1.047","","","","has coordinates,has disorder","179389","2020-10-21","18:00:00",""
"4328631","8.8637","0.0005","12.7775","0.0007","21.2307","0.0012","90","","90","","90","","2404.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 Cu N9 O6 -","- C23 H19 Cu N9 O6 -","- C92 H76 Cu4 N36 O24 -","4","1","","Pampa M. Guha; Hoa Phan; Jared S. Kinyon; Wendy S. Brotherton; Kesavapillai Sreenath; J. Tyler Simmons; Zhenxing Wang; Ronald J. Clark; Naresh S. Dalal; Michael Shatruk; Lei Zhu","Structurally Diverse Copper(II) Complexes of Polyaza Ligands Containing 1,2,3-Triazoles: Site Selectivity and Magnetic Properties","Inorganic Chemistry","2012","51","","3465","3477","10.1021/ic2021319","","","0.71073","MoKα","","0.0496","0.0393","","","0.0792","0.0846","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4328660","10.8256","0.0002","13.4721","0.0003","16.4802","0.0003","90","","90","","90","","2403.53","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 B N7 S3 -","- C21 H24 B N7 S3 -","- C84 H96 B4 N28 S12 -","4","1","","Philip J. Bailey; Nicola L. Bell; Gary S. Nichol; Simon Parsons; Fraser White","Insertion and Substitution Chemistry at the Boron Fourth Position in Charge-Neutral Zwitterionic Tripodal Tris(methimazolyl)borate Ligands","Inorganic Chemistry","2012","51","","3677","3689","10.1021/ic202618p","","","1.54178","CuKα","","0.0448","0.0394","","","0.0968","0.1019","","","","","","1.038","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328687","13.5246","0.0006","13.754","0.0006","24.558","0.0011","90","","90","","90","","4568.2","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2536LHL","","","- C13 H38 Cl2 N2 P4 Ru -","- C13 H38 Cl2 N2 P4 Ru -","- C104 H304 Cl16 N16 P32 Ru8 -","8","2","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Side-on Bound Complexes of Phenyl- and Methyl-diazene","Inorganic Chemistry","2012","51","","3733","3742","10.1021/ic2027225","","","0.71073","MoKα","","0.0268","0.0226","","","0.0452","0.0467","","","","","","1.029","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328695","10.467","0.005","12.78","0.005","24.077","0.005","90","","90","","90","","3221","2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 Fe Mn N8 O4 -","- C35 H30 Fe Mn N8 O4 -","- C140 H120 Fe4 Mn4 N32 O16 -","4","1","","Tapas Senapati; Céline Pichon; Rodica Ababei; Corine Mathonière; Rodolphe Clérac","Cyanido-Bridged Fe(III)-Mn(III) Heterobimetallic Materials Built From Mn(III) Schiff Base Complexes and Di- or Tri-Cyanido Fe(III) Precursors","Inorganic Chemistry","2012","51","","3796","3812","10.1021/ic2027708","","","0.71069","MoKα","","0.1661","0.067","","","0.145","0.2269","","","","","","1.014","","","","has coordinates","179389","2020-10-21","18:00:00",""
"4328738","12.6582","0.0005","18.0565","0.0007","24.8261","0.001","90","","90","","90","","5674.3","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H58 Ge Ir O2 P4 Rh -","- C64 H58 Ge Ir O2 P4 Rh -","- C256 H232 Ge4 Ir4 O8 P16 Rh4 -","4","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry of a Bridging Germylene Group","Inorganic Chemistry","2012","51","","4020","4034","10.1021/ic2021269","","","0.71073","MoKα","","0.0211","0.02","","","0.0454","0.0456","","","","","","1.154","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328739","12.3318","0.0007","17.7653","0.001","25.2646","0.0015","90","","90","","90","","5534.9","0.6","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C57 H58 Cl2 Ge Ir O2 P4 Rh -","- C57 H58 Cl2 Ge Ir O2 P4 Rh -","- C228 H232 Cl8 Ge4 Ir4 O8 P16 Rh4 -","4","1","","Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie","Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry of a Bridging Germylene Group","Inorganic Chemistry","2012","51","","4020","4034","10.1021/ic2021269","","","0.71073","MoKα","","0.0192","0.0188","","","0.0524","0.0526","","","","","","1.074","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328780","13.592","0.003","13.945","0.003","23.985","0.005","90","","90","","90","","4546.1","1.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 F6 Ir N4 O8 S2 -","- C42 H33 F6 Ir N4 O8 S2 -","- C168 H132 F24 Ir4 N16 O32 S8 -","4","1","","Yong-Jun Yuan; Ji-Yuan Zhang; Zhen-Tao Yu; Jian-Yong Feng; Wen-Jun Luo; Jin-Hua Ye; Zhi-Gang Zou","Impact of Ligand Modification on Hydrogen Photogeneration and Light-Harvesting Applications Using Cyclometalated Iridium Complexes","Inorganic Chemistry","2012","51","","4123","4133","10.1021/ic202423y","","","0.71073","MoKα","","0.1022","0.0745","","","0.1901","0.2487","","","","","","1.035","","","","has coordinates","179390","2020-10-21","18:00:00",""
"4328792","12.8252","0.0013","20.067","0.002","20.247","0.002","90","","90","","90","","5210.8","0.9","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H74 N6 Si2 Yb -","- C51 H74 N6 Si2 Yb -","- C204 H296 N24 Si8 Yb4 -","4","1","","Lijuan Yan; Haidong Liu; Junfeng Wang; Yong Zhang; Qi Shen","Divalent Lanthanide Complexes Supported by the Bridged Bis(amidinates) L [L = Me3SiN(Ph)CN(CH2)3NC(Ph)NSiMe3]: Synthesis, Molecular Structures and One-Electron-Transfer Reactions","Inorganic Chemistry","2012","51","","4151","4160","10.1021/ic202505d","","","0.71075","MoKα","","0.1104","0.0904","","","0.1435","0.1583","","","","","","1.135","","","","has coordinates,has disorder","179390","2020-10-21","18:00:00",""
"4328886","14.552","0.0014","15.9499","0.0015","31.34","0.003","90","","90","","90","","7274.1","1.2","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Gd[15-MC Cu(II), L-phenylglycineHA-5](terephthalate)","","- C56 H87 Cu5 Gd N10 O37 -","- C56 H50 Cu5 Gd N10 O36 -","- C224 H200 Cu20 Gd4 N40 O144 -","4","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.054","0.0435","","","0.1263","0.139","","","","","","1.123","","","","has coordinates","179391","2020-10-21","18:00:00",""
"4328891","16.966","0.003","27.984","0.004","32.407","0.005","90","","90","","90","","15386","4","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","La[15-MC Cu(II), L-phenylglycineHA-5](isonicotinate)","","- C110 H184.8 Cu10 La2 N25 O53.58 -","- C110 H100 Cu10 La2 N25 O55.49 -","- C440 H400 Cu40 La8 N100 O221.96 -","4","1","","Joseph Jankolovits; Choong-Sun Lim; Gellert Mezei; Jeff W. Kampf; Vincent L. Pecoraro","Influencing the Size and Anion Selectivity of Dimeric Ln3+[15-Metallacrown-5] Compartments through Systematic Variation of the Host Side Chains and Central Metal","Inorganic Chemistry","2012","51","","4527","4538","10.1021/ic202347j","","","0.71073","MoKα","","0.0421","0.0379","","","0.111","0.1152","","","","","","1.085","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4328972","5.8243","0.0012","11.735","0.002","14.72","0.003","90","","90","","90","","1006.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 N Ni O7 S -","- C5 H11 N Ni O7 S -","- C20 H44 N4 Ni4 O28 S4 -","4","1","","Yan-Yan Yin; Jian-Gong Ma; Zheng Niu; Xiao-Chang Cao; Wei Shi; Peng Cheng","Chiral Ni(II) Coordination Polymers: Structure-Driven Effects of Temperature and Polyvinylpyrrolidone","Inorganic Chemistry","2012","51","","4784","4790","10.1021/ic300106k","","","0.71073","MoKα","","0.0383","0.0333","","","0.0617","0.0637","","","","","","1.064","","","","has coordinates","179392","2020-10-21","18:00:00",""
"4329026","7.9199","0.0009","10.5011","0.0011","10.6624","0.0011","90","","90","","90","","886.77","0.16","146.1","","146.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N3 O -","- C10 H8 N3 O -","- C40 H32 N12 O4 -","4","1","","Kensuke Murashima; Takeaki Watanabe; Shinji Kanegawa; Daisuke Yoshihara; Yuji Inagaki; Satoru Karasawa; Noboru Koga","Preparations, Crystal Structures, and Magnetic Properties of N,N-Dipyridylaminoxyl as a New Magnetic Coupler and Its One-Dimensional Cobalt(II) Chains","Inorganic Chemistry","2012","51","","4982","4993","10.1021/ic202397m","","","0.71075","MoKα","","","0.0715","","","","0.1463","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329108","6.725","0.0012","4.1479","0.0012","7.2945","0.0011","90","","90","","90","","203.48","0.08","293","","293","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","Silver sulfide","","","- Ag2 S -","- Ag2 S -","- Ag8 S4 -","4","1","","David Santamaría-Pérez; Miriam Marqués; Raquel Chuliá-Jordán; José Manuel Menendez; Oscar Gomis; Javier Ruiz-Fuertes; Juan Antonio Sans; Daniel Errandonea; José Manuel Recio","Compression of Silver Sulfide: X-ray Diffraction Measurements and Total-Energy Calculations","Inorganic Chemistry","2012","51","","5289","5298","10.1021/ic300236p","powder diffraction","","0.7107","MoKα","","","","","","","","","0.025906","","","","","","","","has coordinates","179394","2020-10-21","18:00:00",""
"4329305","11.0603","0.0015","16.493","0.002","17.632","0.002","90","","90","","90","","3216.4","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H56 N2 O5 Os P2 -","- C27 H56 N2 O5 Os P2 -","- C108 H224 N8 O20 Os4 P8 -","4","1","","Miguel A. Esteruelas; Jorge García-Raboso; Montserrat Oliván; Enrique Oñate","N-H and N-C Bond Activation of Pyrimidinic Nucleobases and Nucleosides Promoted by an Osmium Polyhydride","Inorganic Chemistry","2012","51","","5975","5984","10.1021/ic300639j","","","0.71073","MoKα","","0.0218","0.02","","","0.0441","0.0447","","","","","","1.009","","","","has coordinates","179396","2020-10-21","18:00:00",""
"4329415","20.0635","0.0004","23.0466","0.0004","36.3584","0.0007","90","","90","","90","","16812","0.5","103.1","","103.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H65 Eu F9 N3 O8 -","- C53 H65 Eu F9 N3 O8 -","- C636 H780 Eu12 F108 N36 O96 -","12","3","","Takashi Harada; Hiroyuki Tsumatori; Katsura Nishiyama; Junpei Yuasa; Yasuchika Hasegawa; Tsuyoshi Kawai","Nona-Coordinated Chiral Eu(III) Complexes with Stereoselective Ligand-Ligand Noncovalent Interactions for Enhanced Circularly Polarized Luminescence","Inorganic Chemistry","2012","51","","6476","6485","10.1021/ic202467f","","","0.71075","MoKα","","","0.0255","","","","0.0632","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329440","13.8394","0.0007","15.6605","0.0008","16.5178","0.0009","90","","90","","90","","3579.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Triptycyl(t-butyl)sulfide","","- C24 H22 S -","- C24 H22 S -","- C192 H176 S8 -","8","2","","Skylar J. Ferrara; Joel T. Mague; James P. Donahue","Synthesis and Structures of Cuprous Triptycylthiolate Complexes","Inorganic Chemistry","2012","51","","6567","6576","10.1021/ic300124n","","","0.71073","MoKα","","0.0443","0.0374","","","0.0893","0.0943","","","","","","1.027","","","","has coordinates","179397","2020-10-21","18:00:00",""
"4329508","10.1722","0.0009","16.9303","0.0012","18.0365","0.0013","90","","90","","90","","3106.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyltin acetate","","- C24 H42 O8 P2 Sn -","- C24 H42 O8 P2 Sn -","- C96 H168 O32 P8 Sn4 -","4","1","","Michael Wagner; Christina Dietz; Stefan Krabbe; Stephan G. Koller; Carsten Strohmann; Klaus Jurkschat","{4-t-Bu-2,6-[P(O)(O-i-Pr)2]2C6H2Sn}2: An Intramolecularly Coordinated Organotin(I) Compound with a Sn-Sn Single Bond, Its Disproportionation toward a Diorganostannylene and Elemental Tin, and Its Oxidation with PhI(OAc)2","Inorganic Chemistry","2012","51","","6851","6859","10.1021/ic3005954","","","0.71073","MoKα","","0.0854","0.037","","","0.0454","0.0495","","","","","","0.687","","","","has coordinates,has disorder","179398","2020-10-21","18:00:00",""
"4329597","11.181","0.0007","11.2057","0.0008","41.036","0.002","90","","90","","90","","5141.4","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[(R)-Ph(Me)HCNMe3][Ni(dmit)2]3","","","- C29 H18 N Ni3 S30 -","- C29 H18 N Ni3 S30 -","- C116 H72 N4 Ni12 S120 -","4","1","","Julien Lieffrig; Olivier Jeannin; Pascale Auban-Senzier; Marc Fourmigué","Chiral Conducting Salts of Nickel Dithiolene Complexes","Inorganic Chemistry","2012","51","","7144","7152","10.1021/ic300146s","","","0.71073","MoKα","","0.0671","0.0384","","","0.0907","0.1239","","","","","","1.027","","","","has coordinates","179398","2020-10-21","18:00:00",""
"4329598","11.2264","0.0009","11.5591","0.0009","43.063","0.003","90","","90","","90","","5588.2","0.7","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[(S)-tBu(Me)HCNMe3][Ni(dmit)2]3,(CH3CN)2","","","- C31 H28 N3 Ni3 S30 -","- C31 H28 N3 Ni3 S30 -","- C124 H112 N12 Ni12 S120 -","4","1","","Julien Lieffrig; Olivier Jeannin; Pascale Auban-Senzier; Marc Fourmigué","Chiral Conducting Salts of Nickel Dithiolene Complexes","Inorganic Chemistry","2012","51","","7144","7152","10.1021/ic300146s","","","0.71073","MoKα","","0.0408","0.0293","","","0.0738","0.0927","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329662","10.4012","0.0004","17.5199","0.0007","26.3854","0.001","90","","90","","90","","4808.2","0.3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H46 Cl6 Hg3 N6 -","- C48 H46 Cl6 Hg3 N6 -","- C192 H184 Cl24 Hg12 N24 -","4","1","","Mari Ikeda; Shunsuke Kuwahara; Shim Sung Lee; Yoichi Habata","Anion-Controlled Circular Dichroism Spectral Changes in Hg2+ Complexes with a Chiral Bidentate Ligand","Inorganic Chemistry","2012","51","","7022","7024","10.1021/ic301140z","","","0.71073","MoKα","","0.0661","0.0475","","","0.0858","0.0905","","","","","","1.202","","","","has coordinates","179399","2020-10-21","18:00:00",""
"4329670","21.883","0.002","21.883","0.002","40.184","0.0017","90","","90","","90","","19243","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H80 N2 O53 Zn10 -","- C84 H40 N2 O53 Zn10 -","- C336 H160 N8 O212 Zn40 -","4","1","","Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu","Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks","Inorganic Chemistry","2012","51","","7484","7491","10.1021/ic202635a","","","0.71069","MoKα","","0.0812","0.0487","","","0.0896","0.0949","","","","","","0.964","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4329728","11.302","0.0001","17.7376","0.0002","29.4278","0.0003","90","","90","","90","","5899.4","0.1","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 Mo2 O2 P Se -","- C30 H41 Mo2 O2 P Se -","- C240 H328 Mo16 O16 P8 Se8 -","8","2","","Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Daniel García-Vivó; Jaime Suárez; Miguel A. Ruiz","Dimolybdenum Cyclopentadienyl Complexes with Bridging Chalcogenophosphinidene Ligands","Inorganic Chemistry","2012","51","","7810","7824","10.1021/ic300869z","","x-ray","1.54184","CuKα","","0.0549","0.0378","","","0.0752","0.0823","","","","","","0.954","","","","has coordinates,has disorder","179400","2020-10-21","18:00:00",""
"4329770","15.6504","0.0007","20.8102","0.001","23.9756","0.0013","90","","90","","90","","7808.6","0.7","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C16 H80 N4 Na6 O60 P8 Rb2 V6 -","- C16 H36 N4 Na3.25 O52.25 P8 Rb2 V6 -","- C64 H144 N16 Na13 O209 P32 Rb8 V24 -","4","1","","Hani El Moll; Wei Zhu; Eric Oldfield; L. Marleny Rodriguez-Albelo; Pierre Mialane; Jérôme Marrot; Neus Vila; Israel Martyr Mbomekallé; Eric Rivière; Carole Duboc; Anne Dolbecq","Polyoxometalates Functionalized by Bisphosphonate Ligands: Synthesis, Structural, Magnetic, and Spectroscopic Characterizations and Activity on Tumor Cell Lines","Inorganic Chemistry","2012","51","","7921","7931","10.1021/ic3010079","","","0.71073","MoKα","","0.1253","0.0902","","","0.2598","0.2814","","","","","","1.071","","","","has coordinates","179400","2020-10-21","18:00:00",""
"4329901","8.2372","0.0007","17.1313","0.0015","17.2431","0.0015","90","","90","","90","","2433.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 Au N P -","- C26 H39 Au N P -","- C104 H156 Au4 N4 P4 -","4","1","","David V. Partyka; Matthias Zeller; Allen D. Hunter; Thomas G. Gray","Arylgold(I) Complexes from Base-Assisted Transmetalation: Structures, NMR Properties, and Density-Functional Theory Calculations","Inorganic Chemistry","2012","51","","8394","8401","10.1021/ic3009464","","","0.71073","MoKα","","0.022","0.02","","","0.0426","0.0436","","","","","","1.02","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329907","6.6369","0.0002","6.9771","0.0002","16.3921","0.0004","90","","90","","90","","759.06","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Samarium phosphite","","","- H4 O8 P2 Sm -","- H6 O8 P2 Sm -","- H24 O32 P8 Sm4 -","4","1","","Justin N. Cross; Eric M. Villa; Shuao Wang; Juan Diwu; Matthew J. Polinski; Thomas E. Albrecht-Schmitt","Syntheses, Structures, and Spectroscopic Properties of Plutonium and Americium Phosphites and the Redetermination of the Ionic Radii of Pu(III) and Am(III)","Inorganic Chemistry","2012","51","","8419","8424","10.1021/ic300958z","","","0.71073","MoKα","","0.0218","0.0194","","","0.0379","0.0386","","","","","","1.034","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329908","6.6138","0.0002","6.962","0.0002","16.4075","0.0004","90","","90","","90","","755.49","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Europium phosphite","","","- Eu H4 O8 P2 -","- Eu H6 O8 P2 -","- Eu4 H24 O32 P8 -","4","1","","Justin N. Cross; Eric M. Villa; Shuao Wang; Juan Diwu; Matthew J. Polinski; Thomas E. Albrecht-Schmitt","Syntheses, Structures, and Spectroscopic Properties of Plutonium and Americium Phosphites and the Redetermination of the Ionic Radii of Pu(III) and Am(III)","Inorganic Chemistry","2012","51","","8419","8424","10.1021/ic300958z","","","0.71073","MoKα","","0.0409","0.0333","","","0.064","0.0669","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329933","8.2007","0.0009","13.2412","0.0014","14.1628","0.0015","90","","90","","90","","1537.9","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 Br2 N2 Zn -","- C11 H24 Br2 N2 Zn -","- C44 H96 Br8 N8 Zn4 -","4","1","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.025","0.0229","","","0.0557","0.0568","","","","","","1.067","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329934","7.8253","0.0004","12.4256","0.0006","16.7554","0.0008","90","","90","","90","","1629.2","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Br2 N2 Zn -","- C12 H26 Br2 N2 Zn -","- C48 H104 Br8 N8 Zn4 -","4","1","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0356","0.026","","","0.0329","0.0335","","","","","","0.961","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329936","9.9604","0.0015","12.2299","0.0018","13.61","0.002","90","","90","","90","","1657.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Br2 N2 Zn -","- C12 H26 Br2 N2 Zn -","- C48 H104 Br8 N8 Zn4 -","4","1","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0595","0.0482","","","0.0898","0.0925","","","","","","1.019","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329937","10.2752","0.0011","14.4299","0.0016","21.668","0.003","90","","90","","90","","3212.7","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Cl2 N2 Zn -","- C12 H26 Cl2 N2 Zn -","- C96 H208 Cl16 N16 Zn8 -","8","2","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.031","0.0272","","","0.0504","0.0513","","","","","","1.041","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329938","9.9374","0.0006","11.5949","0.0006","12.8313","0.0006","90","","90","","90","","1478.46","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H22 Br2 Hg N2 -","- C10 H22 Br2 Hg N2 -","- C40 H88 Br8 Hg4 N8 -","4","1","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0706","0.0644","","","0.1522","0.154","","","","","","1.027","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329939","8.6139","0.0004","13.1839","0.0007","14.3439","0.0008","90","","90","","90","","1628.96","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Br2 Hg N2 -","- C12 H26 Br2 Hg N2 -","- C48 H104 Br8 Hg4 N8 -","4","1","","Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann","Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury","Inorganic Chemistry","2012","51","","8516","8523","10.1021/ic301089h","","","0.71073","MoKα","","0.0779","0.0676","","","0.1551","0.1576","","","","","","1.057","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4329992","11.6127","0.0004","14.5454","0.0006","17.8962","0.0009","90","","90","","90","","3022.9","0.2","133","2","133","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl2 F6 N6 O Os P -","- C28 H23 Cl2 F6 N6 O Os P -","- C112 H92 Cl8 F24 N24 O4 Os4 P4 -","4","1","","Lai-Hon Chung; Siu-Chung Chan; Wing-Chun Lee; Chun-Yuen Wong","Emissive Osmium(II) Complexes Supported by N-Heterocyclic Carbene-based C^C^C-Pincer Ligands and Aromatic Diimines","Inorganic Chemistry","2012","51","","8693","8703","10.1021/ic202726g","","","1.54178","CuKα","","0.0349","0.033","","","0.0989","0.1127","","","","","","1.098","","","","has coordinates","179402","2020-10-21","18:00:00",""
"4330009","10.977","0.003","18.852","0.005","24.156","0.005","90","","90","","90","","4999","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 Cl3 N4 O Zn2 -","- C21 H31 Cl3 N4 O Zn2 -","- C168 H248 Cl24 N32 O8 Zn16 -","8","2","","Averi Guha; Tanmay Chattopadhyay; Nanda Dulal Paul; Madhuparna Mukherjee; Somen Goswami; Tapan Kumar Mondal; Ennio Zangrando; Debasis Das","Radical Pathway in Catecholase Activity with Zinc-Based Model Complexes of Compartmental Ligands","Inorganic Chemistry","2012","51","","8750","8759","10.1021/ic300400v","","","0.71073","MoKα","","0.1074","0.0479","","","0.1094","0.1268","","","","","","0.844","","","","has coordinates","179403","2020-10-21","18:00:00",""
"4330057","16.1449","0.0013","24.1265","0.0018","30.798","0.002","90","","90","","90","","11996.4","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H56 N2 O6.67 Zn -","- C36 H56 N2 O6.66667 Zn -","- C432 H672 N24 O80 Zn12 -","12","3","","Helmut Degenbeck; Anne-Sophie Felten; Eduardo C. Escudero-Adán; Jordi Benet-Buchholz; Lorenzo Di Bari; Gennaro Pescitelli; Anton Vidal-Ferran","New Chiral Zinc Complexes: Synthesis, Structure, and Induction of Axial Chirality","Inorganic Chemistry","2012","51","","8643","8645","10.1021/ic300915p","","","0.71073","MoKα","","0.1668","0.0782","","","0.1715","0.2106","","","","","","1.03","","","","has coordinates,has disorder","179403","2020-10-21","18:00:00",""
"4330119","8.284","0.0012","15.01","0.002","19.406","0.003","90","","90","","90","","2413","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Me2NN]CuOtBu","","","- C25 H34 Cu N2 O -","- C25 H34 Cu N2 O -","- C100 H136 Cu4 N8 O4 -","4","1","","Marie M. Melzer; Susanne Mossin; Allan Jay P. Cardenas; Kamille D. Williams; Shiyu Zhang; Karsten Meyer; Timothy H. Warren","A Copper(II) Thiolate from Reductive Cleavage of an S-Nitrosothiol","Inorganic Chemistry","2012","51","","8658","8660","10.1021/ic301356h","","","0.71073","MoKα","","0.0413","0.0319","","","0.0719","0.0751","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4330127","13.4167","0.0003","15.539","0.0003","52.5389","0.0012","90","","90","","90","","10953.4","0.4","180.1","","180.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C105.45 H103.8 Cl Co4 N16 O21.77 P3 -","- C105.45 H103.8 Cl Co4 N16 O21.77 P3 -","- C421.8 H415.2 Cl4 Co16 N64 O87.08 P12 -","4","1","","Claire Deville; Alexandra Spyratou; Paulina Aguirre-Etcheverry; Céline Besnard; Alan F. Williams","Enantioselective Synthesis of Tetranuclear Quadruple Helicates","Inorganic Chemistry","2012","51","","8667","8669","10.1021/ic3014943","","","1.5418","CuKα","","0.056","0.0499","","","0.1317","0.1354","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4330128","13.4175","0.0003","15.4982","0.0006","52.7507","0.0017","90","","90","","90","","10969.4","0.6","180","","180","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C105 H102 Cl Co4 N16 O22.72 P3 -","- C105 H102 Cl Co4 N16 O22.715 P3 -","- C420 H408 Cl4 Co16 N64 O90.86 P12 -","4","1","","Claire Deville; Alexandra Spyratou; Paulina Aguirre-Etcheverry; Céline Besnard; Alan F. Williams","Enantioselective Synthesis of Tetranuclear Quadruple Helicates","Inorganic Chemistry","2012","51","","8667","8669","10.1021/ic3014943","","","1.5418","CuKα","","0.0804","0.0634","","","0.1628","0.1749","","","","","","1.071","","","","has coordinates,has disorder","179404","2020-10-21","18:00:00",""
"4330219","8.8757","0.0005","15.288","0.0007","21.2854","0.001","90","","90","","90","","2888.3","0.2","240","2","240","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cu F12 N2 O5 -","- C21 H20 Cu F12 N2 O5 -","- C84 H80 Cu4 F48 N8 O20 -","4","1","","Evgeny V. Tretyakov; Svyatoslav E. Tolstikov; Anastasiya O. Suvorova; Aleksey V. Polushkin; Galina V. Romanenko; Artem S. Bogomyakov; Sergey L. Veber; Matvey V. Fedin; Dmitry V. Stass; Edward Reijerse; Wolfgang Lubitz; Ekaterina M. Zueva; Victor I. Ovcharenko","Crucial Role of Paramagnetic Ligands for Magnetostructural Anomalies in ""Breathing Crystals""","Inorganic Chemistry","2012","51","","9385","9394","10.1021/ic301149e","","","0.71073","MoKα","","0.092","0.0354","","","0.0727","0.0851","","","","","","0.81","","","","has coordinates","179405","2020-10-21","18:00:00",""
"4330350","9.2003","0.0002","15.0373","0.0004","20.8396","0.0005","90","","90","","90","","2883.11","0.12","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[(HPNPRu(NH3)(H2NNH2)]Cl(BF4) (5)","","","- C17 H46 B Cl3 F4 N4 P2 Ru -","- C17 H46 B Cl3 F4 N4 P2 Ru -","- C68 H184 B4 Cl12 F16 N16 P8 Ru4 -","4","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.02","0.0199","","","0.0466","0.0466","","","","","","1.204","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330352","16.2143","0.0006","16.7728","0.0007","18.0133","0.0007","90","","90","","90","","4898.9","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[(HPNP)Ru(H2)]2(BF4)2 (7)","","","- C33 H80 B2 Cl4 F8 N2 P4 Ru2 -","- C33 H80 B2 Cl4 F8 N2 P4 Ru2 -","- C132 H320 B8 Cl16 F32 N8 P16 Ru8 -","4","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.0437","0.0405","","","0.1058","0.1085","","","","","","1.103","","","","has coordinates,has disorder","179406","2020-10-21","18:00:00",""
"4330353","11.7009","0.0005","12.2407","0.0005","17.5457","0.0007","90","","90","","90","","2513.02","0.18","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","[HPNPRuCl(CO)2](BF4) (8)","","","- C18 H37 B Cl F4 N O2 P2 Ru -","- C18 H37 B Cl F4 N O2 P2 Ru -","- C72 H148 B4 Cl4 F16 N4 O8 P8 Ru4 -","4","1","","Sergio S. Rozenel; John Arnold","Bimetallic Ruthenium PNP Pincer Complex As a Platform to Model Proposed Intermediates in Dinitrogen Reduction to Ammonia","Inorganic Chemistry","2012","51","","9730","9739","10.1021/ic3010322","","","0.71073","MoKα","","0.0175","0.0164","","","0.037","0.0377","","","","","","1.08","","","","has coordinates","179406","2020-10-21","18:00:00",""
"4330411","13.8864","0.0007","18.823","0.0009","23.693","0.0016","90","","90","","90","","6193","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N6 O11.5 Ru -","- C25 H37 N6 O11.5 Ru -","- C200 H296 N48 O92 Ru8 -","8","2","","Chen Fu; Marianne Wenzel; Elisabeth Treutlein; Klaus Harms; Eric Meggers","Proline as Chiral Auxiliary for the Economical Asymmetric Synthesis of Ruthenium(II) Polypyridyl Complexes","Inorganic Chemistry","2012","51","","10004","10011","10.1021/ic3015157","","","0.71073","MoKα","","0.1396","0.0555","","","0.0972","0.1173","","","","","","0.78","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330430","14.2347","0.0004","14.869","0.0004","49.9305","0.0015","90","","90","","90","","10568.1","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C127 H115 B Fe N O6 P3 -","- C127.004 H115.01 B Fe N O6.002 P3 -","- C508.016 H460.04 B4 Fe4 N4 O24.008 P12 -","4","1","","Caroline T. Saouma; Connie C. Lu; Jonas C. Peters","Mononuclear Five- and Six-Coordinate Iron Hydrazido and Hydrazine Species","Inorganic Chemistry","2012","51","","10043","10054","10.1021/ic301704f","","","1.54178","CuKα","","0.0612","0.0542","","","0.139","0.143","","","","","","1.147","","","","has coordinates,has disorder","179407","2020-10-21","18:00:00",""
"4330449","5.9045","0.0007","12.7669","0.0016","15.3114","0.0018","90","","90","","90","","1154.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,5-dipyridylpyrrole","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","1","","Gregory H. Imler; Zhi Lu; Kurt A. Kistler; Patrick J. Carroll; Bradford B. Wayland; Michael J. Zdilla","Complexes of 2,5-Bis(α-pyridyl)pyrrolate with Pd(II) and Pt(II): A Monoanionic Iso-π-Electron Ligand Analog of Terpyridine","Inorganic Chemistry","2012","51","","10122","10128","10.1021/ic300435t","","","0.71073","MoKα","","0.0405","0.0344","","","0.0775","0.0807","","","","","","1.027","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330482","10.432","0.002","15.746","0.003","31.076","0.006","90","","90","","90","","5104.6","1.7","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 Co F18 N7 P3 S2 -","- C44 H45 Co F18 N7 P3 S2 -","- C176 H180 Co4 F72 N28 P12 S8 -","4","1","","Ai-Xia Zheng; Jing Si; Xiao-Yan Tang; Li-Li Miao; Miao Yu; Kai-Peng Hou; Fan Wang; Hong-Xi Li; Jian-Ping Lang","Reactions of the Cationic Zinc Thiolate Model Complex [Zn(Tab)4](PF6)2 with N-Donor Ligands and Cobalt Dichloride","Inorganic Chemistry","2012","51","","10262","10273","10.1021/ic301191n","","","0.71073","MoKα","","0.091","0.0671","","","0.1313","0.1459","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4330486","6.8979","0.0005","14.3515","0.001","14.5164","0.001","90","","90","","90","","1437.05","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 K N O5 -","- C16 H14 K N O5 -","- C64 H56 K4 N4 O20 -","4","1","","Daniel L. Reger; Andrew P. Leitner; Mark D. Smith","Homochiral Helical Metal-Organic Frameworks of Potassium","Inorganic Chemistry","2012","51","","10071","10073","10.1021/ic301228j","","","0.71073","MoKα","","0.029","0.0277","","","0.0721","0.0727","","","","","","1.07","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330492","12.62432","0.00013","16.70885","0.00018","13.70225","0.00015","90","","90","","90","","2890.32","0.05","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 B Fe N8 O4 -","- C24 H35 B Fe N8 O4 -","- C96 H140 B4 Fe4 N32 O16 -","4","1","","Heaweon Park; Michael M. Bittner; Jacob S. Baus; Sergey V. Lindeman; Adam T. Fiedler","Fe(II) Complexes That Mimic the Active Site Structure of Acetylacetone Dioxygenase: O2 and NO Reactivity","Inorganic Chemistry","2012","51","","10279","10289","10.1021/ic3012712","","","0.7107","MoKα","","0.0251","0.0226","","","0.0608","0.0615","","","","","","1.057","","","","has coordinates","179407","2020-10-21","18:00:00",""
"4330523","6.2891","0.0002","15.0951","0.0005","23.4063","0.0005","90","","90","","90","","2222.07","0.11","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Mo N2 O6 P -","- C22 H17 Mo N2 O6 P -","- C88 H68 Mo4 N8 O24 P4 -","4","1","","Paresh Kumar Majhi; Susanne Sauerbrey; Gregor Schnakenburg; Anthony J. Arduengo; Rainer Streubel","Synthesis of Backbone P-Functionalized Imidazol-2-ylidene Complexes: En Route to Novel Functional Ionic Liquids","Inorganic Chemistry","2012","51","","10408","10416","10.1021/ic301641z","","","0.71073","MoKα","","0.065","0.0367","","","0.0651","0.0726","","","","","","0.953","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330550","9.571","0.005","10.49","0.005","27.375","0.005","90","0.005","90","0.005","90","0.005","2748","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 Ir N4 O -","- C32 H27 Ir N4 O -","- C128 H108 Ir4 N16 O4 -","4","1","","Vadapalli Chandrasekhar; Bani Mahanti; Priyanka Bandipalli; Kotamarthi Bhanuprakash","Cyclometalated Iridium(III) Complexes Containing Hydroxide/Chloride Ligands: Isolation of Heterobridged Dinuclear Iridium(III) Compounds Containing μ-OH and μ-Pyrazole Ligands","Inorganic Chemistry","2012","51","","10536","10547","10.1021/ic300694m","","","0.71069","MoKα","","0.0488","0.0471","","","0.1156","0.1168","","","","","","1.088","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330555","9.2065","0.0018","19.005","0.005","22.744","0.007","90","","90","","90","","3979.5","1.8","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 Cl Co N6 O8 -","- C38 H52 Cl Co N6 O8 -","- C152 H208 Cl4 Co4 N24 O32 -","4","1","","Amélie Kochem; Hussein Kanso; Benoit Baptiste; Himanshu Arora; Christian Philouze; Olivier Jarjayes; Hervé Vezin; Dominique Luneau; Maylis Orio; Fabrice Thomas","Ligand Contributions to the Electronic Structures of the Oxidized Cobalt(II) salen Complexes","Inorganic Chemistry","2012","51","","10557","10571","10.1021/ic300763t","","x-ray","0.71073","MoKα","","0.0602","0.0438","","","0.1018","0.1081","","","","","","1.087","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330571","5.9007","0.0003","9.062","0.0003","23.458","0.0008","90","","90","","90","","1254.35","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 N3 Pd Tl -","- C13 H8 N3 Pd Tl -","- C52 H32 N12 Pd4 Tl4 -","4","1","","Violeta Sicilia; Juan Forniés; Sara Fuertes; Antonio Martín","New Dicyano Cyclometalated Compounds Containing Pd(II)-Tl(I) Bonds as Building Blocks in 2D Extended Structures: Synthesis, Structure, and Luminescence Studies","Inorganic Chemistry","2012","51","","10581","10589","10.1021/ic300808z","","","0.71073","MoKα","","0.0343","0.034","","","0.086","0.0863","","","","","","1.013","","","","has coordinates","179408","2020-10-21","18:00:00",""
"4330633","7.3744","0.0001","13.4167","0.0002","13.9213","0.0002","90","","90","","90","","1377.37","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 Br Cu N3 -","- C11 H17 Br Cu N3 -","- C44 H68 Br4 Cu4 N12 -","4","1","","Sara A. Turner; Zachary D. Remillard; Desire T. Gijima; Emily Gao; Robert D. Pike; Christopher Goh","Syntheses and Structures of Closely Related Copper(I) Complexes of Tridentate (2-Pyridylmethyl)imine and (2-Pyridylmethyl)amine Ligands and Their Use in Mediating Atom Transfer Radical Polymerizations","Inorganic Chemistry","2012","51","","10762","10773","10.1021/ic3011585","","","1.54178","CuKα","","0.0175","0.0173","","","0.0441","0.0442","","","","","","1.089","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330653","10.2885","0.0002","18.762","0.0005","20.8913","0.0005","90","","90","","90","","4032.71","0.16","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","tt3299","tt3299","","- C37 H58 F6 N3 O P3 Ru -","- C37 H58 F6 N3 O P3 Ru -","- C148 H232 F24 N12 O4 P12 Ru4 -","4","1","","Tristan A. Tronic; Werner Kaminsky; Michael K. Coggins; James M. Mayer","Synthesis, Protonation, and Reduction of Ruthenium-Peroxo Complexes with Pendent Nitrogen Bases","Inorganic Chemistry","2012","51","","10916","10928","10.1021/ic3013987","","","0.71073","MoKα","","0.021","0.0188","","","0.0466","0.0476","","","","","","1.067","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330691","12.2953","0.001","12.6618","0.001","26.974","0.002","90","","90","","90","","4199.3","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Me4N)[Ni(OiBu)-OH] toluene","","","- C43 H61 N7 Ni O4 -","- C43 H61 N7 Ni O4 -","- C172 H244 N28 Ni4 O16 -","4","1","","Xiaofeng Zhang; Deguang Huang; Yu-Sheng Chen; R. H. Holm","Synthesis of Binucleating Macrocycles and Their Nickel(II) Hydroxo- and Cyano-Bridged Complexes with Divalent Ions: Anatomical Variation of Ligand Features","Inorganic Chemistry","2012","51","","11017","11029","10.1021/ic301506x","","","0.71073","MoKα","","0.0459","0.0403","","","0.1022","0.1053","","","","","","1.032","","","","has coordinates","179409","2020-10-21","18:00:00",""
"4330739","13.0187","0.0014","17.8209","0.0018","19.477","0.002","90","","90","","90","","4518.8","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H69 N2 O4 Y -","- C45 H69 N2 O4 Y -","- C180 H276 N8 O16 Y4 -","4","1","","Kun Nie; Lei Fang; Yingming Yao; Yong Zhang; Qi Shen; Yaorong Wang","Synthesis and Characterization of Amine-Bridged Bis(phenolate)lanthanide Alkoxides and Their Application in the Controlled Polymerization of rac-Lactide and rac-β-Butyrolactone","Inorganic Chemistry","2012","51","","11133","11143","10.1021/ic301746c","","","0.7107","MoKα","","0.0827","0.0712","","","0.1545","0.16","","","","","","1.112","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330741","17.9555","0.001","21.0348","0.0012","21.4682","0.0013","90","","90","","90","","8108.3","0.8","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C77 H130 N4 O6 Y2 -","- C77 H116 N4 O6 Y2 -","- C308 H464 N16 O24 Y8 -","4","1","","Kun Nie; Lei Fang; Yingming Yao; Yong Zhang; Qi Shen; Yaorong Wang","Synthesis and Characterization of Amine-Bridged Bis(phenolate)lanthanide Alkoxides and Their Application in the Controlled Polymerization of rac-Lactide and rac-β-Butyrolactone","Inorganic Chemistry","2012","51","","11133","11143","10.1021/ic301746c","","","0.71075","MoKα","","0.108","0.0833","","","0.1471","0.1588","","","","","","1.125","","","","has coordinates,has disorder","179410","2020-10-21","18:00:00",""
"4330885","8.8717","0.0017","16.213","0.004","30.046","0.005","90","","90","","90","","4321.7","1.5","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(NEt4)2[MoO(S2C6H3CONH-t-Bu)2]","","- C38 H66 Mo N4 O3 S4 -","- C38 H66 Mo N4 O3 S4 -","- C152 H264 Mo4 N16 O12 S16 -","4","1","","Taka-aki Okamura; Miki Tatsumi; Yui Omi; Hitoshi Yamamoto; Kiyotaka Onitsuka","Selective and Effective Stabilization of MoVI=O Bonds by NH...S Hydrogen Bonds via Trans Influence","Inorganic Chemistry","2012","51","","11688","11697","10.1021/ic301597d","","","0.71075","MoKα","","0.0757","0.0693","","","0.1661","0.1696","","","","","","1.1","","","","has coordinates","179411","2020-10-21","18:00:00",""
"4331081","19.6632","0.0007","19.7358","0.0007","24.5563","0.0009","90","","90","","90","","9529.5","0.6","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(Klaui)2Yb][CoCl3.THF] + 2C6H6","","","- C98 H90 Cl3 Co3 O19 P6 Yb -","- C98 H90 Cl3 Co3 O19 P6 Yb -","- C392 H360 Cl12 Co12 O76 P24 Yb4 -","4","1","","Kevin J. H. Allen; Emma C. Nicholls-Allison; Kevin R. D. Johnson; Rajinder S. Nirwan; David J. Berg; Dennis Wester; Brendan Twamley","Lanthanide Complexes of the Kläui Metalloligand, CpCo(P=O(OR)2)3: An Examination of Ligand Exchange Kinetics between Isotopomers by Electrospray Mass Spectrometry","Inorganic Chemistry","2012","51","","12436","12443","10.1021/ic301830u","","","0.71073","MoKα","","0.0659","0.0484","","","0.1001","0.1087","","","","","","1.023","","","","has coordinates,has disorder","179413","2020-10-21","18:00:00",""
"4331159","9.9387","0.0003","11.7933","0.0003","20.7778","0.0006","90","","90","","90","","2435.37","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl4 N6 O2 P4 -","- C17 H18 Cl4 N6 O2 P4 -","- C68 H72 Cl16 N24 O8 P16 -","4","1","","Gamze Elmas; Aytuğ Okumuş; Zeynel Kiliç; Tuncer Hökelek; Leyla Açik; Hakan Dal; Nagehan Ramazanoğlu; L.Yasemin Koç","Phosphorus-Nitrogen Compounds. Part 24. Syntheses, Crystal Structures, Spectroscopic and Stereogenic Properties, Biological Activities, and DNA Interactions of Novel Spiro-ansa-spiro- and Ansa-spiro-ansa-cyclotetraphosphazenes","Inorganic Chemistry","2012","51","","12841","12856","10.1021/ic3017134","","","0.71073","MoKα","","0.0217","0.021","","","0.0555","0.0558","","","","","","1.087","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331180","11.5384","0.0012","14.1705","0.0015","21.395","0.002","90","","90","","90","","3498.2","0.6","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Et4N)2[Fe4(mu3-NtBu)(mu3-Se)3Cl4]","(Et4N)2[Fe4(mu3-NtBu)(mu3-Se)3Cl4]","","- C20 H49 Cl4 Fe4 N3 Se3 -","- C20 H49 Cl4 Fe4 N3 Se3 -","- C80 H196 Cl16 Fe16 N12 Se12 -","4","1","","Xu-Dong Chen; Wei Zhang; Jeremiah S. Duncan; Sonny C. Lee","Iron-Amide-Sulfide and Iron-Imide-Sulfide Clusters: Heteroligated Core Environments Relevant to the Nitrogenase FeMo Cofactor","Inorganic Chemistry","2012","51","","12891","12904","10.1021/ic301868m","","","0.71073","MoKα","","0.0462","0.0336","","","0.0686","0.0752","","","","","","0.986","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331184","8.4065","0.0006","10.0395","0.0008","14.3963","0.0011","90","","90","","90","","1215.01","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","7","","","- C9 H21 B2 N3 -","- C9 H21 B2 N3 -","- C36 H84 B8 N12 -","4","1","","Adam C. Malcolm; Kyle J. Sabourin; Robert McDonald; Michael J. Ferguson; Eric Rivard","Donor-Acceptor Complexation and Dehydrogenation Chemistry of Aminoboranes","Inorganic Chemistry","2012","51","","12905","12916","10.1021/ic3018997","","","0.71073","MoKα","","0.0442","0.0359","","","0.0834","0.0886","","","","","","1.057","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331193","6.799","0.004","8.888","0.004","15.767","0.008","90","","90","","90","","952.8","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C40 H48 N16 O4 -","4","1","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","0.71073","MoKα","","0.0418","0.0384","","","0.1045","0.1072","","","","","","1.099","","","","has coordinates","179414","2020-10-21","18:00:00",""
"4331201","9.75358","0.0001","17.8086","0.0002","17.8545","0.00017","90","","90","","90","","3101.28","0.06","114.96","0.14","114.96","0.14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 N5 O2 -","- C34 H41 N5 O2 -","- C136 H164 N20 O8 -","4","1","","Désirée C. Sauer; Hubert Wadepohl; Lutz H. Gade","Cobalt Alkyl Complexes of a New Family of Chiral 1,3-Bis(2-pyridylimino)isoindolates and Their Application in Asymmetric Hydrosilylation","Inorganic Chemistry","2012","51","","12948","12958","10.1021/ic3020749","","x-ray","1.5418","CuKα","","0.0262","0.0253","","","0.0647","0.0652","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4331277","12.6091","0.0009","15.1813","0.0008","18.9516","0.0008","90","","90","","90","","3627.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 D20 Mo2 N12 O20 -","- C18 H28 D4 Mo2 N12 O20 -","- C72 H112 D16 Mo8 N48 O80 -","4","1","","Marios Stylianou; Vladimiros A. Nikolakis; George I. Chilas; Tamas Jakusch; Tiverios Vaimakis; Tamas Kiss; Michael P. Sigalas; Anastasios D. Keramidas; Themistoklis A. Kabanos","Molybdenum(VI) Coordination Chemistry of the N,N-Disubstituted Bis(hydroxylamido)-1,3,5-triazine Ligand, H2bihyat. Water-Assisted Activation of the MoVI=O Bond and Reversible Dimerization of cis-[MoVIO2(bihyat)] to [MoVI2O4(bihyat)2(H2O)2]","Inorganic Chemistry","2012","51","","13138","13147","10.1021/ic301282q","","","0.71073","MoKα","","0.1473","0.0759","","","0.1385","0.1679","","","","","","1.039","","","","has coordinates","179415","2020-10-21","18:00:00",""
"4331342","11.8394","0.0002","20.0693","0.0003","56.7184","0.0013","90","","90","","90","","13476.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N6 Ni P5 S17 -","- C18 H33 N6 Ni P5 S17 -","- C216 H396 N72 Ni12 P60 S204 -","12","3","","Jason A. Cody; Kenneth B. Finch; Gilbert J. Reynders; Grant C. B. Alexander; Hyung G. Lim; Christian Näther; Wolfgang Bensch","Ionothermal Synthesis of Four New Nickel Thiophosphate Anions: [Ni(P2S8)2]2-, [Ni(P3S9)(P2S8)]3-, [Ni(P3S9)2]4-, and [(NiP3S8)4(PS4)]7-","Inorganic Chemistry","2012","51","","13357","13362","10.1021/ic302112g","","","0.71073","MoKα","","0.0487","0.0444","","","0.1196","0.1222","","","","","","1.049","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4331345","7.8121","0.0002","7.9612","0.0003","13.1728","0.0007","90","","90","","90","","819.27","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 Mn N O7 -","- C3 H7 Mn N O7 -","- C12 H28 Mn4 N4 O28 -","4","1","","Bin Liu; Ran Shang; Ke-Li Hu; Zhe-Ming Wang; Song Gao","A New Series of Chiral Metal Formate Frameworks of [HONH3][MII(HCOO)3] (M = Mn, Co, Ni, Zn, and Mg): Synthesis, Structures, and Properties","Inorganic Chemistry","2012","51","","13363","13372","10.1021/ic302129m","","","0.71073","MoKα","","0.047","0.0267","","","0.0487","0.0513","","","","","","0.919","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4331346","7.6839","0.0003","7.7555","0.0003","13.0195","0.0006","90","","90","","90","","775.86","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 Co N O7 -","- C3 H7 Co N O7 -","- C12 H28 Co4 N4 O28 -","4","1","","Bin Liu; Ran Shang; Ke-Li Hu; Zhe-Ming Wang; Song Gao","A New Series of Chiral Metal Formate Frameworks of [HONH3][MII(HCOO)3] (M = Mn, Co, Ni, Zn, and Mg): Synthesis, Structures, and Properties","Inorganic Chemistry","2012","51","","13363","13372","10.1021/ic302129m","","","0.71073","MoKα","","0.0561","0.0301","","","0.0543","0.058","","","","","","0.947","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4331347","7.6225","0.0002","7.7814","0.0002","12.728","0.0004","90","","90","","90","","754.95","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N Ni O7 -","- C3 H7 N Ni O7 -","- C12 H28 N4 Ni4 O28 -","4","1","","Bin Liu; Ran Shang; Ke-Li Hu; Zhe-Ming Wang; Song Gao","A New Series of Chiral Metal Formate Frameworks of [HONH3][MII(HCOO)3] (M = Mn, Co, Ni, Zn, and Mg): Synthesis, Structures, and Properties","Inorganic Chemistry","2012","51","","13363","13372","10.1021/ic302129m","","","0.71073","MoKα","","0.0435","0.0302","","","0.0597","0.0623","","","","","","0.987","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4331348","7.6892","0.0002","7.7385","0.0002","13.0205","0.0004","90","","90","","90","","774.76","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O7 Zn -","- C3 H7 N O7 Zn -","- C12 H28 N4 O28 Zn4 -","4","1","","Bin Liu; Ran Shang; Ke-Li Hu; Zhe-Ming Wang; Song Gao","A New Series of Chiral Metal Formate Frameworks of [HONH3][MII(HCOO)3] (M = Mn, Co, Ni, Zn, and Mg): Synthesis, Structures, and Properties","Inorganic Chemistry","2012","51","","13363","13372","10.1021/ic302129m","","","0.71073","MoKα","","0.0233","0.019","","","0.0445","0.0454","","","","","","0.991","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4331349","7.6883","0.0002","7.7875","0.0002","12.8558","0.0004","90","","90","","90","","769.71","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 Mg N O7 -","- C3 H7 Mg N O7 -","- C12 H28 Mg4 N4 O28 -","4","1","","Bin Liu; Ran Shang; Ke-Li Hu; Zhe-Ming Wang; Song Gao","A New Series of Chiral Metal Formate Frameworks of [HONH3][MII(HCOO)3] (M = Mn, Co, Ni, Zn, and Mg): Synthesis, Structures, and Properties","Inorganic Chemistry","2012","51","","13363","13372","10.1021/ic302129m","","","0.71073","MoKα","","0.0314","0.0263","","","0.0722","0.0741","","","","","","1.137","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4331375","8.8001","0.0002","17.9041","0.0005","20.3625","0.0006","90","","90","","90","","3208.27","0.15","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H46 Be N2 O -","- C35 H46 Be N2 O -","- C140 H184 Be4 N8 O4 -","4","1","","Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Köhn; Dugald J. MacDougall; Mary F. Mahon; Ian Mallov","Three-Coordinate Beryllium β-Diketiminates: Synthesis and Reduction Chemistry","Inorganic Chemistry","2012","51","","13408","13418","10.1021/ic3022968","","","0.71073","MoKα","","0.1058","0.0508","","","0.1024","0.1226","","","","","","1.014","","","","has coordinates,has disorder","179416","2020-10-21","18:00:00",""
"4331473","7.58","0.02","17.64","0.05","20.7","0.06","90","","90","","90","","2768","13","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl4 Co N4 O6 Zn -","- C21 H23 Cl4 Co N4 O6 Zn -","- C84 H92 Cl16 Co4 N16 O24 Zn4 -","4","1","","Jaffray, Paul M.; McClintock, Lisa F.; Baxter, Kay E.; Blackman, Allan G.","Cobalt(III) Carbonate and Bicarbonate Chelate Complexes of Tripodal Tetraamine Ligands Containing Pyridyl Donors: The Steric Basis for the Stability of Chelated Bicarbonate Complexes","Inorganic Chemistry","2005","44","12","4215","4225","10.1021/ic0482537","","","0.71073","MoKα","","0.1926","0.0878","","","0.1867","0.2272","","","","","","1.055","","","","has coordinates","179417","2020-10-21","18:00:00",""
"4331479","18.816","0.004","22.695","0.006","23.105","0.008","90","","90","","90","","9867","5","180","","180","","","","","","","","?","8","P 21 21 21","P 2ac 2ab","19","","","","- C85 H82 Cl17 Li N3 O14.5 P Rh3 -","- C85 H77 Cl17 Li N3 O14.5 P Rh3 -","- C340 H308 Cl68 Li4 N12 O58 P4 Rh12 -","4","1","","Mimassi, Lamia; Guyard-Duhayon, Carine; Rager, Marie Noelle; Amouri, Hani","Chiral Recognition and Resolution of the Enantiomers of Supramolecular Triangular Hosts: Synthesis, Circular Dichroism, NMR, and X-ray Molecular Structure of [Li⊂(R,R,R)-{Cp*Rh(5-chloro-2,3-dioxopyridine)}3][Δ-Trisphat]","Inorganic Chemistry","2004","43","21","6644","6649","10.1021/ic049361w","","","0.71073","MoKα","","0.146","0.0809","","0.1623","0.085","0.085","","","","","","1.1145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331547","12.39","0.012","19.773","0.004","26.411","0.004","90","","90","","90","","6470","6","198","2","198","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H62 B2 F8 N2 P4 Pd2 -","- C60 H62 B2 F8 N2 P4 Pd2 -","- C240 H248 B8 F32 N8 P16 Pd8 -","4","1","","Bérubé, Jean-François; Gagnon, Karl; Fortin, Daniel; Decken, Andreas; Harvey, Pierre D.","Solution and Solid-State Properties of Luminescent M−M Bond-Containing Coordination/Organometallic Polymers Using the RNC-M2(dppm)2-CNR Building Blocks (M = Pd, Pt; R = Aryl, Alkyl)","Inorganic Chemistry","2006","45","7","2812","2823","10.1021/ic0509480","","","1.54056","","","0.1234","0.085","","","0.2393","0.2687","","","","","","1.086","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331549","12.536","0.008","19.93","0.006","26.506","0.005","90","","90","","90","","6622","5","293","","293","","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H62 B2 F8 N2 P4 Pt2 -","- C60 H62 B2 F8 N2 P4 Pt2 -","- C240 H248 B8 F32 N8 P16 Pt8 -","4","1","","Bérubé, Jean-François; Gagnon, Karl; Fortin, Daniel; Decken, Andreas; Harvey, Pierre D.","Solution and Solid-State Properties of Luminescent M−M Bond-Containing Coordination/Organometallic Polymers Using the RNC-M2(dppm)2-CNR Building Blocks (M = Pd, Pt; R = Aryl, Alkyl)","Inorganic Chemistry","2006","45","7","2812","2823","10.1021/ic0509480","","x-ray","1.54175","CuKα","","0.0799","0.0595","","","0.1635","0.1772","","","","","","1.083","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331641","3.8912","0.0004","12.3171","0.0013","32.947","0.004","90","","90","","90","","1579.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Dominik Lieb; Felix C. Friedel; Mirza Yawer; Achim Zahl; Marat M. Khusniyarov; Frank W. Heinemann; Ivana Ivanović-Burmazović","Dinuclear Seven-Coordinate Mn(II) Complexes: Effect of Manganese(II)-Hydroxo Species on Water Exchange and Superoxide Dismutase Activity","Inorganic Chemistry","2013","52","","222","236","10.1021/ic301714d","","","0.71073","MoKα","","0.0652","0.0563","","","0.1436","0.1475","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331660","16.1644","0.0012","20.9967","0.0015","30.44","0.002","90","","90","","90","","10331.3","1.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55 H114 Co3 F12 O46 P9 S4 Zr3 -","- C55 H89 Co3 F12 O46 P9 S4 Zr3 -","- C220 H356 Co12 F48 O184 P36 S16 Zr12 -","4","1","","Yi,; Zhang, Qian-Feng; Lam, Tony C. H.; Chan, Eddie Y. Y.; Williams, Ian D.; Leung, Wa-Hung","Phosphato, Chromato, and Perrhenato Complexes of Titanium(IV) and Zirconium(IV) Containing Kläui's Tripodal Ligand","Inorganic Chemistry","2006","45","1","328","335","10.1021/ic051329u","","","0.71073","MoKα","","0.0729","0.0539","","","0.1357","0.1457","","","","","","1.055","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331705","11.0841","0.0008","14.9184","0.0012","18.5128","0.0014","90","","90","","90","","3061.2","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl3 N2 P2 Rh -","- C34 H28 Cl3 N2 P2 Rh -","- C136 H112 Cl12 N8 P8 Rh4 -","4","1","","Wajda-Hermanowicz, Katarzyna; Ciunik, Zbigniew; Kochel, Andrzej","Syntheses and Molecular Structure of Some Rh and Ru Complexes with the Chelating Diphenyl (2-Pyridyl)phosphine Ligand","Inorganic Chemistry","2006","45","8","3369","3377","10.1021/ic051442k","","","0.71073","MoKα","","0.0677","0.0475","","","0.0484","0.0523","","","","","","0.92","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331735","13.0755","0.0006","15.5264","0.0006","21.387","0.0011","90","","90","","90","","4341.9","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H67 Cr N O2 Si2 -","- C42 H67 Cr N O2 Si2 -","- C168 H268 Cr4 N4 O8 Si8 -","4","1","","Sydora, Orson L.; Kuiper, David S.; Wolczanski, Peter T.; Lobkovsky, Emil B.; Dinescu, Adriana; Cundari, Thomas R.","The Butterfly Dimer [(tBu3SiO)Cr]2(μ-OSitBu3)2and Its Oxidative Cleavage to (tBu3SiO)2Cr(N−NCPh2)2and (tBu3SiO)2CrN(2,6-Ph2-C6H3)","Inorganic Chemistry","2006","45","5","2008","2021","10.1021/ic051481w","","","0.71073","MoKα","","0.0565","0.0413","","","0.1071","0.1153","","","","","","0.96","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331763","11.5165","0.0001","18.0618","0.0002","19.6211","0.0002","90","","90","","90","","4081.36","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","h03prr6","","","- C52 H36 Au2 O P2 -","- C52 H36 Au2 O P2 -","- C208 H144 Au8 O4 P8 -","4","1","","de la Riva, Héctor; Nieuwhuyzen, Mark; Mendicute Fierro, Claudio; Raithby, Paul R.; Male, Louise; Lagunas, M. Cristina","A New Type of Luminescent Alkynyl Au4Cu2Cluster†","Inorganic Chemistry","2006","45","4","1418","1420","10.1021/ic051503e","","","0.71073","MoKα","","0.0402","0.031","","","0.0757","0.0971","","","","","","1.133","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331776","17.1157","0.0007","19.5781","0.0008","19.9696","0.0008","90","","90","","90","","6691.7","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H60 Fe N7 O13 P4 -","- C72 H60 Fe N7 O13 P4 -","- C288 H240 Fe4 N28 O52 P16 -","4","1","","Fu-Te Tsai; Yu-Ching Lee; Ming-Hsi Chiang; Wen-Feng Liaw","Nitrate-to-Nitrite-to-Nitric Oxide Conversion Modulated by Nitrate-Containing {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC)","Inorganic Chemistry","2013","52","","464","473","10.1021/ic3023437","","","0.71073","MoKα","","0.0565","0.0465","","","0.1239","0.14","","","","","","1.091","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331781","17.1087","0.0014","19.2498","0.0018","19.8943","0.0018","90","","90","","90","","6552","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H60 Fe N7 O11 P4 -","- C72 H60 Fe N7 O11 P4 -","- C288 H240 Fe4 N28 O44 P16 -","4","1","","Fu-Te Tsai; Yu-Ching Lee; Ming-Hsi Chiang; Wen-Feng Liaw","Nitrate-to-Nitrite-to-Nitric Oxide Conversion Modulated by Nitrate-Containing {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC)","Inorganic Chemistry","2013","52","","464","473","10.1021/ic3023437","","","0.71073","MoKα","","0.0716","0.0532","","","0.1235","0.161","","","","","","1.14","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331798","9.5949","0.0004","11.7875","0.0004","15.4661","0.0006","90","","90","","90","","1749.21","0.12","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Ga I3 N2 O2 -","- C11 H16 Ga I3 N2 O2 -","- C44 H64 Ga4 I12 N8 O8 -","4","1","","Ahmad El-Hellani; Julien Monot; Régis Guillot; Christophe Bour; Vincent Gandon","Molecular versus Ionic Structures in Adducts of GaX3 with Monodentate Carbon-Based Ligands","Inorganic Chemistry","2013","52","","506","514","10.1021/ic302440g","","x-ray","0.71073","MoKα","","0.0259","0.0202","","","0.036","0.0377","","","","","","1.019","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331805","9.4112","0.0004","11.2663","0.0004","15.299","0.0006","90","","90","","90","","1622.14","0.11","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Br3 Ga N2 O2 -","- C11 H16 Br3 Ga N2 O2 -","- C44 H64 Br12 Ga4 N8 O8 -","4","1","","Ahmad El-Hellani; Julien Monot; Régis Guillot; Christophe Bour; Vincent Gandon","Molecular versus Ionic Structures in Adducts of GaX3 with Monodentate Carbon-Based Ligands","Inorganic Chemistry","2013","52","","506","514","10.1021/ic302440g","","x-ray","0.71073","MoKα","","0.0371","0.0251","","","0.0366","0.0381","","","","","","0.964","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331870","10.7753","0.0006","11.9414","0.0006","12.6635","0.0007","90","","90","","90","","1629.44","0.15","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Ag F6 O P S2 -","- C12 H16 Ag F6 O P S2 -","- C48 H64 Ag4 F24 O4 P4 S8 -","4","1","","Seo, Joobeom; Song, Mi Ryoung; Lee, Ji-Eun; Lee, So Young; Yoon, Il; Park, Ki-Min; Kim, Jineun; Jung, Jong Hwa; Park, Sung Bae; Lee, Shim Sung","Exo-Coordination-Based Supramolecular Silver(I) Complexes of S2O Macrocycles: Effect of Ligand Isomerism on the Structural Diversity","Inorganic Chemistry","2006","45","3","952","954","10.1021/ic051764o","","","0.71073","MoKα","","0.0437","0.0338","","","0.076","0.0809","","","","","","1.032","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331898","12.906","0.004","9.528","0.002","6.438","0.002","90","","90","","90","","791.7","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H11 F3 Fe N2 O3 P -","- C2 H11 F3 Fe N2 O3 P -","- C8 H44 F12 Fe4 N8 O12 P4 -","4","1","","Fernández-Armas, Sergio; Mesa, José L.; Pizarro, José L.; Clemente-Juan, Juan Modesto; Coronado, Eugenio; Arriortua, María I.; Rojo, Teófilo","Parametrization of the Magnetic Behavior of the Triangular Spin Ladder Chains Organically Templated: (C2N2H10)[M(HPO3)F3] (MIII= Fe, Cr, and V). Crystal Structure and Thermal and Spectroscopic Properties of the Iron(III) Phase","Inorganic Chemistry","2006","45","8","3240","3248","10.1021/ic051804o","","","0.71073","MoKα","","0.0686","0.0361","","","0.0624","0.0682","","","","","","0.822","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331916","13.271","0.003","13.47","0.003","31.17","0.006","90","","90","","90","","5572","2","153","1","153","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H60 Cl3 N4 Nd O18 Zn2 -","- C46 H60 Cl3 N4 Nd O18 Zn2 -","- C184 H240 Cl12 N16 Nd4 O72 Zn8 -","4","1","","Wong, Wai-Kwok; Yang, Xiaoping; Jones, Richard A.; Rivers, Joseph H.; Lynch, Vince; Lo, Wing-Kit; Xiao, Dang; Oye, Michael M.; Holmes, Archie L.","Multinuclear Luminescent Schiff-Base Zn−Nd Sandwich Complexes","Inorganic Chemistry","2006","45","11","4340","4345","10.1021/ic051866e","","","0.71073","MoKα","","0.0936","0.0729","","","0.1762","0.1874","","","","","","1.062","","","","has coordinates","179422","2020-10-21","18:00:00",""
"4332017","8.7159","0.0018","11.833","0.002","31.627","0.007","90","","90","","90","","3261.9","1.1","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","eisaa02","","","- C28 H44 F6 Ir O2 P2 Sb -","- C28 H44 F6 Ir O2 P2 Sb -","- C112 H176 F24 Ir4 O8 P8 Sb4 -","4","1","","Janka, Mesfin; Atesin, Abdurrahman Ç.; Fox, Daniel J.; Flaschenriem, Christine; Brennessel, William W.; Eisenberg, Richard","Highly Diastereoselective Oxidative Addition of Methyl Iodide to a Chiral Square-Planar Complex","Inorganic Chemistry","2006","45","17","6559","6561","10.1021/ic052027v","","","0.71073","MoKα","","0.0361","0.0342","","","0.0805","0.0816","","","","","","1.082","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332018","10.978","0.002","14.296","0.003","18.263","0.004","90","","90","","90","","2866.2","1","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","eisdf02","","","- C27 H44 I Ir O P2 -","- C27 H44 I Ir O P2 -","- C108 H176 I4 Ir4 O4 P8 -","4","1","","Janka, Mesfin; Atesin, Abdurrahman Ç.; Fox, Daniel J.; Flaschenriem, Christine; Brennessel, William W.; Eisenberg, Richard","Highly Diastereoselective Oxidative Addition of Methyl Iodide to a Chiral Square-Planar Complex","Inorganic Chemistry","2006","45","17","6559","6561","10.1021/ic052027v","","","0.71073","MoKα","","0.0635","0.0348","","","0.0644","0.071","","","","","","1.026","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332019","10.6355","0.0004","11.1126","0.0004","26.7012","0.0009","90","","90","","90","","3155.8","0.2","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","EISMJ02","","","- C28 H47 I2 Ir O P2 -","- C27.9664 H46.8992 I2 Ir O P2 -","- C111.866 H187.597 I8 Ir4 O4 P8 -","4","1","","Janka, Mesfin; Atesin, Abdurrahman Ç.; Fox, Daniel J.; Flaschenriem, Christine; Brennessel, William W.; Eisenberg, Richard","Highly Diastereoselective Oxidative Addition of Methyl Iodide to a Chiral Square-Planar Complex","Inorganic Chemistry","2006","45","17","6559","6561","10.1021/ic052027v","","","0.71073","MoKα","","0.0146","0.0137","","","0.0308","0.031","","","","","","0.881","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332039","11.685","0.0002","26.184","0.0005","28.1148","0.0005","90","","90","","90","","8602","0.3","90","0.2","90","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H60 Al N2 O5 P -","- C45 H60 Al N2 O5 P -","- C360 H480 Al8 N16 O40 P8 -","8","2","","Mitra, Amitabha; Parkin, Sean; Atwood, David A.","Aluminum Phosphinate and Phosphates of Salen Ligands","Inorganic Chemistry","2006","45","10","3970","3975","10.1021/ic052090k","","","1.54178","CuKα","","0.0457","0.0408","","","0.0996","0.103","","","","","","1.05","","","","has coordinates,has disorder","179423","2020-10-21","18:00:00",""
"4332061","9.8938","0.0001","10.2598","0.0001","44.2594","0.0006","90","","90","","90","","4492.7","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 Cl3 F O9 P -","- C41 H50 Cl3 F O9 P -","- C164 H200 Cl12 F4 O36 P4 -","4","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically Relevant Phosphoranes: Structural Characterization of Glucofuranose- and Xylofuranose-Based Phosphoranes1","Inorganic Chemistry","2006","45","7","3113","3123","10.1021/ic052105e","","","0.71073","MoKα","","0.0615","0.0503","","","0.1251","0.1327","","","","","","1.052","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332062","9.8877","0.0001","10.1558","0.0002","37.7904","0.0008","90","","90","","90","","3794.82","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H56 F O7 P -","- C38 H45 F O7 P -","- C152 H180 F4 O28 P4 -","4","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically Relevant Phosphoranes: Structural Characterization of Glucofuranose- and Xylofuranose-Based Phosphoranes1","Inorganic Chemistry","2006","45","7","3113","3123","10.1021/ic052105e","","","0.71073","MoKα","","0.1102","0.0733","","","0.1649","0.1837","","","","","","1.033","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332113","7.0316","0.0007","9.4201","0.0009","19.0925","0.0018","90","","90","","90","","1264.7","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N4 O2 -","- C11 H17 N4 O2 -","- C44 H68 N16 O8 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.0518","0.0488","","","0.1348","0.1383","","","","","","0.907","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332121","15.0141","0.0011","26.636","0.002","26.912","0.002","90","","90","","90","","10762.5","1.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H140 Ni7 O34.5 -","- C68 H119 Ni7 O34.5 -","- C272 H476 Ni28 O138 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.0586","0.0491","","","0.1293","0.1343","","","","","","0.919","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332122","15.1272","0.0008","26.934","0.0015","27.2743","0.0016","90","","90","","90","","11112.5","1.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H140 Ni7 O34.5 -","- C68 H119 Ni7 O34.5 -","- C272 H476 Ni28 O138 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Romanenko, Galina; Eremenko, Igor; Tretyakov, Evgeny; Ikorskii, Vladimir","Synthesis, Structure, and Magnetic Properties of (6−9)-Nuclear Ni(II) Trimethylacetates and Their Heterospin Complexes with Nitroxides","Inorganic Chemistry","2006","45","14","5338","5350","10.1021/ic0522028","","","0.71073","MoKα","","0.0691","0.0543","","","0.1417","0.1486","","","","","","0.937","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4332138","5.041","0.003","16.805","0.008","21.958","0.011","90","","90","","90","","1860.2","1.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O2 S3 -","- C19 H22 O2 S3 -","- C76 H88 O8 S12 -","4","1","","Yoon, Il; Seo, Joobeom; Lee, Ji-Eun; Park, Ki-Min; Kim, Jae Sang; Lah, Myoung Soo; Lee, Shim Sung","Assembly of a Heterobinuclear 2-D Network: A Rare Example of Endo- and Exocyclic Coordination of PdII/AgIin a Single Macrocycle","Inorganic Chemistry","2006","45","9","3487","3489","10.1021/ic060005i","","","0.71073","MoKα","","0.1739","0.0656","","","0.1284","0.1759","","","","","","1.024","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332174","9.1967","0.0006","10.3605","0.0007","39.933","0.004","90","","90","","90","","3804.9","0.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl2 Mn N2 O S14 -","- C29 H26 Cl2 Mn N2 O S14 -","- C116 H104 Cl8 Mn4 N8 O4 S56 -","4","1","","Jia, Chunyang; Liu, Shi-Xia; Ambrus, Christina; Neels, Antonia; Labat, Gaël; Decurtins, Silvio","One-Dimensionalμ-Chloromanganese(II)−Tetrathiafulvalene (TTF) Coordination Compound","Inorganic Chemistry","2006","45","8","3152","3154","10.1021/ic060056f","","","0.71073","MoKα","","0.0728","0.038","","","0.0605","0.0665","","","","","","0.753","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332196","8.7069","0.0008","15.6615","0.0017","16.1002","0.0017","90","","90","","90","","2195.5","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cu3 N3 S3 W -","- C17 H20 Cu3 N3 S3 W -","- C68 H80 Cu12 N12 S12 W4 -","4","1","","Xu, Qing-Feng; Chen, Jin-Xiang; Zhang, Wen-Hua; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Construction of [(η5-C5Me5)WS3Cu3]-Based Supramolecular Compounds from Preformed Incomplete Cubane-Like Clusters [PPh4][(η5-C5Me5)WS3(CuX)3] (X = CN, Br)","Inorganic Chemistry","2006","45","10","4055","4064","10.1021/ic060115p","","","0.7107","MoKα","","0.0365","0.0356","","","0.0693","0.0696","","","","","","1.174","","","","has coordinates","179424","2020-10-21","18:00:00",""
"4332227","11.9312","0.0001","13.6044","0.0001","14.1521","0.0001","90","","90","","90","","2297.12","0.03","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl2 Fe N3 O4 -","- C19 H27 Cl2 Fe N3 O4 -","- C76 H108 Cl8 Fe4 N12 O16 -","4","1","","Gosiewska, Silvia; Cornelissen, Jeroen J. L. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Diastereopure Fe(II) and Zn(II) Complexes Derived from a TridentateN,N‘,N-Bis(methyl-l-prolinate)-Substituted Pyridine Ligand","Inorganic Chemistry","2006","45","10","4214","4227","10.1021/ic060134z","","","0.71073","MoKα","","0.0266","0.0231","","","0.0537","0.0554","","","","","","1.025","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332228","11.805","0.005","13.723","0.003","14.181","0.007","90","","90","","90","","2297.3","1.6","210","2","210","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl2 N3 O4 Zn -","- C19 H27 Cl2 N3 O4 Zn -","- C76 H108 Cl8 N12 O16 Zn4 -","4","1","","Gosiewska, Silvia; Cornelissen, Jeroen J. L. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Diastereopure Fe(II) and Zn(II) Complexes Derived from a TridentateN,N‘,N-Bis(methyl-l-prolinate)-Substituted Pyridine Ligand","Inorganic Chemistry","2006","45","10","4214","4227","10.1021/ic060134z","","","0.71073","MoKα","","0.036","0.0286","","","0.0609","0.0646","","","","","","1.061","","","","has coordinates,has disorder","179425","2020-10-21","18:00:00",""
"4332229","9.0393","0.0006","13.0683","0.0013","24.218","0.003","90","","90","","90","","2860.8","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 F6 Fe N3 O10 S2 -","- C21 H27 F6 Fe N3 O10 S2 -","- C84 H108 F24 Fe4 N12 O40 S8 -","4","1","","Gosiewska, Silvia; Cornelissen, Jeroen J. L. M.; Lutz, Martin; Spek, Anthony L.; van Koten, Gerard; Klein Gebbink, Robertus J. M.","Diastereopure Fe(II) and Zn(II) Complexes Derived from a TridentateN,N‘,N-Bis(methyl-l-prolinate)-Substituted Pyridine Ligand","Inorganic Chemistry","2006","45","10","4214","4227","10.1021/ic060134z","","","0.71073","MoKα","","0.0577","0.0342","","","0.0657","0.0732","","","","","","1.044","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332232","18.143","0.004","18.443","0.004","18.906","0.004","90","","90","","90","","6326","2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H96 Ga2 Mg N4 O3 -","- C64 H96 Ga2 Mg N4 O3 -","- C256 H384 Ga8 Mg4 N16 O12 -","4","1","","Jones, Cameron; Mills, David P.; Platts, Jamie A.; Rose, Richard P.","Synthesis, Structural Characterization, and Theoretical Studies of Complexes of Magnesium and Calcium with Gallium Heterocycles","Inorganic Chemistry","2006","45","8","3146","3148","10.1021/ic060136j","","","0.71073","MoKα","","0.0814","0.0533","","","0.1036","0.1146","","","","","","1.019","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332236","9.7009","0.0006","14.5954","0.001","24.0063","0.0016","90","","90","","90","","3399","0.4","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C80 H62 Ag2 Cl2 N2 O8 P4 -","- C80 H62 Ag2 Cl2 N2 O8 P4 -","- C160 H124 Ag4 Cl4 N4 O16 P8 -","2","0.5","","Lin, Ronger; Yip, John H. K.","Self-Assembly, Structures, and Solution Dynamics of Emissive Silver Metallacycles and Helices","Inorganic Chemistry","2006","45","11","4423","4430","10.1021/ic060140v","","","0.71073","MoKα","","0.0772","0.0708","","","0.1853","0.192","","","","","","1.054","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332238","9.7572","0.0005","14.8314","0.0008","24.1685","0.0014","90","","90","","90","","3497.5","0.3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H62 Ag2 F12 N2 P6 -","- C80 H62 Ag2 F12 N2 P6 -","- C160 H124 Ag4 F24 N4 P12 -","2","0.5","","Lin, Ronger; Yip, John H. K.","Self-Assembly, Structures, and Solution Dynamics of Emissive Silver Metallacycles and Helices","Inorganic Chemistry","2006","45","11","4423","4430","10.1021/ic060140v","","","0.71073","MoKα","","0.0558","0.052","","","0.1233","0.1256","","","","","","1.148","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332241","10.7096","0.0011","16.0538","0.0017","17.4258","0.0019","90","","90","","90","","2996","0.5","203","2","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Cl2 F5 N3 O Ti -","- C25 H36 Cl2 F5 N3 O Ti -","- C100 H144 Cl8 F20 N12 O4 Ti4 -","4","1","","Oakes, Daniel C. H.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J.","Highly Active Titanium-Based Olefin Polymerization Catalysts Supported by Bidentate Phenoxyamide Ligands","Inorganic Chemistry","2006","45","9","3476","3477","10.1021/ic060146k","","","0.71073","MoKα","","0.0667","0.047","","","0.1005","0.1083","","","","","","1.021","","","","has coordinates","179425","2020-10-21","18:00:00",""
"4332330","13.705","0.0018","14.721","0.002","16.22","0.002","90","","90","","90","","3272.4","0.7","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Cl N4 O8 Pb -","- C31 H39 Cl N4 O8 Pb -","- C124 H156 Cl4 N16 O32 Pb4 -","4","1","","Esteban-Gómez, David; Platas-Iglesias, Carlos; Enríquez-Pérez, Teresa; Avecilla, Fernando; de Blas, Andrés; Rodríguez-Blas, Teresa","Lone-Pair Activity in Lead(II) Complexes with Unsymmetrical Lariat Ethers","Inorganic Chemistry","2006","45","14","5407","5416","10.1021/ic060252m","","","0.71073","MoKα","","0.2302","0.0613","","","0.0961","0.1387","","","","","","0.934","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4332335","9.6939","0.0002","10.2598","0.0003","34.0818","0.0009","90","","90","","90","","3389.69","0.15","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 F12 N6 O P2 Ru -","- C26 H46 F12 N6 O P2 Ru -","- C104 H184 F48 N24 O4 P8 Ru4 -","4","1","","Chen, Yuan-Jang; Xie, Puhui; Heeg, Mary Jane; Endicott, John F.","Influence of the “Innocent” Ligands on the MLCT Excited-State Behavior of Mono(bipyridine)ruthenium(II) Complexes: A Comparison of X-ray Structures and 77 K Luminescence Properties","Inorganic Chemistry","2006","45","16","6282","6297","10.1021/ic0602547","","","0.71073","MoKα","","0.0427","0.0339","","","0.0641","0.0669","","","","","","1.03","","","","has coordinates","179426","2020-10-21","18:00:00",""
"4332434","10.244","0.002","10.743","0.002","29.639","0.007","90","","90","","90","","3261.8","1.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 N3 O6 V -","- C32 H47 N3 O6 V -","- C128 H188 N12 O24 V4 -","4","1","","Milsmann, Carsten; Levina, Aviva; Harris, Hugh H.; Foran, Garry J.; Turner, Peter; Lay, Peter A.","Charge Distribution in Chromium and Vanadium Catecholato Complexes: X-ray Absorption Spectroscopic and Computational Studies","Inorganic Chemistry","2006","45","12","4743","4754","10.1021/ic0603611","","","0.71073","MoKα","","0.0611","0.0521","","","0.1355","0.1395","","","","","","1.295","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332435","9.545","0.003","10.663","0.003","29.819","0.009","90","","90","","90","","3034.9","1.6","25","2","25","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N2 O6 V -","- C30 H44 N2 O6 V -","- C120 H176 N8 O24 V4 -","4","1","","Milsmann, Carsten; Levina, Aviva; Harris, Hugh H.; Foran, Garry J.; Turner, Peter; Lay, Peter A.","Charge Distribution in Chromium and Vanadium Catecholato Complexes: X-ray Absorption Spectroscopic and Computational Studies","Inorganic Chemistry","2006","45","12","4743","4754","10.1021/ic0603611","","","0.71073","MoKα","","0.1084","0.0577","","","0.0828","0.0904","","","","","","1.093","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4332503","15.279","0.004","20.027","0.005","24.285","0.006","90","","90","","90","","7431","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H68 Fe Mn3 N12 O10 -","- C66 H68 Fe Mn3 N12 O10 -","- C264 H272 Fe4 Mn12 N48 O40 -","4","1","","Wen, He-Rui; Wang, Cai-Feng; Li, Yi-Zhi; Zuo, Jing-Lin; Song, You; You, Xiao-Zeng","Chiral Molecule-Based Ferrimagnets with Helical Structures","Inorganic Chemistry","2006","45","18","7032","7034","10.1021/ic060462z","","","0.71073","MoKα","","0.0842","0.0625","","","0.1247","0.1303","","","","","","1.004","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332519","13.6569","0.0009","19.451","0.0013","29.4656","0.0018","90","","90","","90","","7827.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C76 H121 Li5 O8 -","- C76 H121 Li5 O8 -","- C304 H484 Li20 O32 -","4","1","","Huang, Bor-Hunn; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh","Synthesis, Characterization, and Structural Determination of Polynuclear Lithium Aggregates and Factors Affecting Their Aggregation","Inorganic Chemistry","2006","45","18","7348","7356","10.1021/ic060467w","","","0.71073","MoKα","","0.149","0.0588","","","0.1355","0.1606","","","","","","1.245","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332554","8.0599","0.0006","13.3528","0.0009","14.5948","0.001","90","","90","","90","","1570.72","0.19","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Fe N4 O2 -","- C15 H26 Fe N4 O2 -","- C60 H104 Fe4 N16 O8 -","4","1","","Hung, Mu-Cheng; Tsai, Ming-Che; Lee, Gene-Hsiang; Liaw, Wen-Feng","Transformation and Structural Discrimination between the Neutral {Fe(NO)2}10Dinitrosyliron Complexes (DNICs) and the Anionic/Cationic {Fe(NO)2}9DNICs","Inorganic Chemistry","2006","45","15","6041","6047","10.1021/ic0605120","","","0.71073","MoKα","","0.0352","0.0332","","","0.0781","0.0792","","","","","","1.142","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332577","6.8359","0.0012","7.2076","0.0012","8.7367","0.0014","90","","90","","90","","430.46","0.12","100","2","100","2","","","","","","","Synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 H2 O4 Sr -","- C2 H2 O4 Sr -","- C8 H8 O16 Sr4 -","4","1","","Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.","Synthesis, Structural Characterization, Gas Sorption and Guest-Exchange Studies of the Lightweight, Porous Metal−Organic Framework α-[Mg3(O2CH)6]","Inorganic Chemistry","2006","45","14","5521","5528","10.1021/ic060543v","","x-ray","0.71073","MoKα","","0.0185","0.0166","","","0.0379","0.0386","","","","","","0.893","","","","has coordinates","179428","2020-10-21","18:00:00",""
"4332697","11.3101","0.0008","15.7573","0.0012","24.744","0.0018","90","","90","","90","","4409.8","0.6","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl10 P2 Pd2 -","- C40 H38 Cl10 P2 Pd2 -","- C160 H152 Cl40 P8 Pd8 -","4","1","","Azerraf, Clarite; Cohen, Shmuel; Gelman, Dmitri","Roof-Shaped Halide-Bridged Bimetallic Complexes via Ring Expansion Reaction","Inorganic Chemistry","2006","45","17","7010","7017","10.1021/ic060700q","","","0.71073","MoKα","","0.0307","0.0281","","","0.0519","0.0526","","","","","","0.977","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332698","11.3039","0.0014","15.7518","0.0019","24.733","0.003","90","","90","","90","","4403.9","0.9","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl10 P2 Pd2 -","- C40 H38 Cl10 P2 Pd2 -","- C160 H152 Cl40 P8 Pd8 -","4","1","","Azerraf, Clarite; Cohen, Shmuel; Gelman, Dmitri","Roof-Shaped Halide-Bridged Bimetallic Complexes via Ring Expansion Reaction","Inorganic Chemistry","2006","45","17","7010","7017","10.1021/ic060700q","","","0.71073","MoKα","","0.0239","0.0221","","","0.0475","0.0479","","","","","","0.977","","","","has coordinates","179429","2020-10-21","18:00:00",""
"4332746","12.9606","0.0002","19.6141","0.0003","51.9064","0.0007","90","","90","","90","","13195.2","0.3","90","0.2","90","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H54 B2 Cl4 N2 O5 -","- C44 H54 B2 Cl4 N2 O5 -","- C528 H648 B24 Cl48 N24 O60 -","12","3","","Mitra, Amitabha; DePue, Lauren J.; Struss, Jeffrey E.; Patel, Bijal P.; Parkin, Sean; Atwood, David A.","Mononuclear Schiff Base Boron Halides: Synthesis, Characterization, and Dealkylation of Trimethyl Phosphate","Inorganic Chemistry","2006","45","23","9213","9224","10.1021/ic0607890","","","1.54178","CuKα","","0.1066","0.0718","","","0.173","0.1947","","","","","","1.072","","","","has coordinates,has disorder","179430","2020-10-21","18:00:00",""
"4332845","10.0929","0.0011","19.017","0.002","22.489","0.002","90","","90","","90","","4316.5","0.8","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H46 Cl3 N O5 P2 Pd -","- C43 H46 Cl3 N O5 P2 Pd -","- C172 H184 Cl12 N4 O20 P8 Pd4 -","4","1","","Pullarkat, Sumod A.; Yi, Ding; Li, Yongxin; Tan, Geok-Kheng; Leung, Pak-Hing","A Novel Approach toward Asymmetric Synthesis of Alcohol Functionalized C-Chiral Diphosphines via Two-Stage Hydrophosphination of Terminal Alkynols","Inorganic Chemistry","2006","45","18","7455","7463","10.1021/ic060937m","","","0.71073","MoKα","","0.0537","0.0487","","","0.1235","0.1269","","","","","","1.077","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332877","11.2523","0.0005","11.2529","0.0005","15.8614","0.0008","90","","90","","90","","2008.39","0.16","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N3 O4 P Ru -","- C18 H26 N3 O4 P Ru -","- C72 H104 N12 O16 P4 Ru4 -","4","1","","Ang, Wee Han; Daldini, Elisa; Scolaro, Claudine; Scopelliti, Rosario; Juillerat-Jeannerat, Lucienne; Dyson, Paul J.","Development of Organometallic Ruthenium−Arene Anticancer Drugs That Resist Hydrolysis","Inorganic Chemistry","2006","45","22","9006","9013","10.1021/ic061008y","","","0.71073","MoKα","","0.0217","0.0195","","","0.0422","0.0427","","","","","","0.997","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332881","5.6113","0.0005","12.6077","0.0012","19.3108","0.0017","90","","90","","90","","1366.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 Cu N2 -","- C13 H23 Cu N2 -","- C52 H92 Cu4 N8 -","4","1","","Park, Kyung-Ho; Bradley, Alexander Z.; Thompson, Jeffery S.; Marshall, Will J.","Nonfluorinated Volatile Copper(I) 1,3-Diketiminates as Precursors for Cu Metal Deposition via Atomic Layer Deposition","Inorganic Chemistry","2006","45","21","8480","8482","10.1021/ic061016e","","","0.71073","MoKα","","0.0686","0.0389","","","0.0687","0.0739","","","","","","0.85","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4332882","13.7989","0.0009","14.1239","0.0009","14.3394","0.0009","90","","90","","90","","2794.7","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 La N5 O15 Zn -","- C22 H18 La N5 O15 Zn -","- C88 H72 La4 N20 O60 Zn4 -","4","1","","Lo, Wing-Kit; Wong, Wai-Kwok; Wong, Wai-Yeung; Guo, Jianping; Yeung, Kai-Tai; Cheng, Yuen-Kit; Yang, Xiaoping; Jones, Richard A.","Heterobimetallic Zn(II)−Ln(III) Phenylene-Bridged Schiff Base Complexes, Computational Studies, and Evidence for Singlet Energy Transfer as the Main Pathway in the Sensitization of Near-Infrared Nd3+Luminescence","Inorganic Chemistry","2006","45","23","9315","9325","10.1021/ic0610177","","","0.71073","MoKα","","0.0225","0.0201","","","0.0524","0.0535","","","","","","1.051","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4333004","8.5957","0.0014","9.8637","0.0015","12.232","0.002","90","","90","","90","","1037.1","0.3","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 I N2 -","- C8 H13 I N2 -","- C32 H52 I4 N8 -","4","1","","Fei, Zhaofu; Kuang, Daibin; Zhao, Dongbin; Klein, Cedric; Ang, Wee Han; Zakeeruddin, Shaik M.; Grätzel, Michael; Dyson, Paul J.","A Supercooled Imidazolium Iodide Ionic Liquid as a Low-Viscosity Electrolyte for Dye-Sensitized Solar Cells","Inorganic Chemistry","2006","45","26","10407","10409","10.1021/ic061232n","","","0.71073","MoKα","","0.0589","0.0517","","","0.1121","0.1151","","","","","","1.031","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333013","10.5452","0.0002","12.9788","0.0002","13.8939","0.0002","90","","90","","90","","1901.58","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Sp)-2-(diphenylphosphino)-1-vinylferrocene","","- C24 H21 Fe P -","- C24 H21 Fe P -","- C96 H84 Fe4 P4 -","4","1","","Štěpnička, Petr; Císařová, Ivana","Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines","Inorganic Chemistry","2006","45","21","8785","8798","10.1021/ic061278g","","","0.71073","MoKα","","0.0238","0.0222","","","0.0532","0.0541","","","","","","1.06","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333015","10.017","0.0001","11.4879","0.0002","21.2688","0.0004","90","","90","","90","","2447.49","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Fe O4 P W -","- C28 H21 Fe O4 P W -","- C112 H84 Fe4 O16 P4 W4 -","4","1","","Štěpnička, Petr; Císařová, Ivana","Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines","Inorganic Chemistry","2006","45","21","8785","8798","10.1021/ic061278g","","","0.71073","MoKα","","0.0258","0.0227","","","0.0481","0.0495","","","","","","1.085","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333016","12.915","0.001","13.742","0.002","34.841","0.001","90","","90","","90","","6183.5","1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H25 Fe O5 P W -","- C35 H25 Fe O5 P W -","- C280 H200 Fe8 O40 P8 W8 -","8","2","","Štěpnička, Petr; Císařová, Ivana","Synthesis and Coordination Behavior of Planar-Chiral Ferrocene Alkenylphosphines","Inorganic Chemistry","2006","45","21","8785","8798","10.1021/ic061278g","","","0.71073","MoKα","","0.0399","0.0265","","","0.0462","0.0476","","","","","","0.988","","","","has coordinates,has disorder","179433","2020-10-21","18:00:00",""
"4333022","4.8153","0.0004","13.7892","0.0011","14.0641","0.0011","90","","90","","90","","933.84","0.13","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 Cl Cu N2 O -","- C8 H10 Cl Cu N2 O -","- C32 H40 Cl4 Cu4 N8 O4 -","4","1","","Yang, Lei; Houser, Robert P.","Copper(I) Coordination Chemistry of (Pyridylmethyl)amide Ligands","Inorganic Chemistry","2006","45","23","9416","9422","10.1021/ic0612810","","","0.71073","MoKα","","0.018","0.0179","","","0.0474","0.0475","","","","","","0.972","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333097","7.7937","0.0004","18.9861","0.001","31.4245","0.0017","90","","90","","90","","4649.9","0.4","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 B N6 O3 Re -","- C12 H16 B N6 O3 Re -","- C144 H192 B12 N72 O36 Re12 -","12","3","","Lassen, Peter R.; Guy, Laure; Karame, Iyad; Roisnel, Thierry; Vanthuyne, Nicolas; Roussel, Christian; Cao, Xiaolin; Lombardi, Rosina; Crassous, Jeanne; Freedman, Teresa B.; Nafie, Laurence A.","Synthesis and Vibrational Circular Dichroism of Enantiopure Chiral Oxorhenium(V) Complexes Containing the Hydrotris(1-pyrazolyl)borate Ligand","Inorganic Chemistry","2006","45","25","10230","10239","10.1021/ic061418m","","x-ray","0.71073","MoKα","","0.0261","0.0207","","","0.034","0.0349","","","","","","0.995","","","","has coordinates","179433","2020-10-21","18:00:00",""
"4333117","9.7853","0.0002","29.5192","0.0006","34.7622","0.0007","90","","90","","90","","10041.2","0.4","100","2","100","2","","","","","","","synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H53 Cu4 I4 N6 O4 -","- C37 H53 Cu4 I4 N6 O4 -","- C296 H424 Cu32 I32 N48 O32 -","8","2","","Díez, Josefina; Gamasa, M. Pilar; Panera, María","Tetra-, Di-, and Mononuclear Copper(I) Complexes Containing (S,S)-iPr-pybox and (R,R)-Ph-pybox Ligands","Inorganic Chemistry","2006","45","25","10043","10045","10.1021/ic061453t","","","1.5418","CuKα","","0.0527","0.0424","","","0.1021","0.1078","","","","","","1.016","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333147","11.8398","0.001","11.8284","0.0007","31.099","0.003","90","","90","","90","","4355.3","0.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H52 Mn2 N12 Sb4 Se9 -","- C16 H52 Mn2 N12 Sb4 Se9 -","- C64 H208 Mn8 N48 Sb16 Se36 -","4","1","","Jia, Dingxian; Zhang, Yong; Zhao, Qianxin; Deng, Jie","Mixed-Valent Selenidoantimonates(III,V) with Transition-Metal Complexes as Counterions: Solvothermal Syntheses and Characterization of [M(dien)2]2Sb4Se9(M = Mn, Fe), [Co(dien)2]2Sb2Se6, and [Ni(dien)2]2Sb2Se5","Inorganic Chemistry","2006","45","24","9812","9817","10.1021/ic061520j","","","0.71073","MoKα","","0.0442","0.0406","","","0.0896","0.0915","","","","","","1.116","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333193","7.3269","0.0001","8.2922","0.0001","12.1221","0.0002","90","","90","","90","","736.492","0.018","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 N2 O3 S Zn -","- C4 H10 N2 O3 S Zn -","- C16 H40 N8 O12 S4 Zn4 -","4","1","","Nguyen, Dan-Tam; Chew, Emily; Zhang, Qichun; Choi, Alice; Bu, Xianhui","Metal−Organic Frameworks from Zinc Sulfite Clusters, Chains, and Sheets: 4-Connected, (3,4)-Connected 3-D Frameworks and 2-D Arrays of Catenane-Like Interlocking Rings","Inorganic Chemistry","2006","45","26","10722","10727","10.1021/ic061677b","","","0.71073","MoKα","","0.0255","0.0253","","","0.0667","0.0667","","","","","","1.039","","","","has coordinates","179434","2020-10-21","18:00:00",""
"4333225","8.8731","0.0001","11.4664","0.0002","21.2205","0.0003","90","","90","","90","","2159.03","0.05","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N5 O6 S Tc -","- C18 H26 N5 O6 S Tc -","- C72 H104 N20 O24 S4 Tc4 -","4","1","","Cantorias, Melchor V.; Howell, Robertha C.; Todaro, Louis; Cyr, John E.; Berndorff, Dietmar; Rogers, Robin D.; Francesconi, Lynn C.","MO tripeptide diastereomers (M=99/99mTc, Re): models to identify the structure of 99mTc peptide targeted radiopharmaceuticals.","Inorganic chemistry","2007","46","18","7326","7340","10.1021/ic070077p","","","0.71073","MoKα","","0.0668","0.0507","","0.0905","0.0829","","","","1.193","1.19","1.19","","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333226","6.634","0.0013","14.722","0.003","18.159","0.004","90","","90","","90","","1773.5","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N4 O5 Re S -","- C14 H19 N4 O5 Re S -","- C56 H76 N16 O20 Re4 S4 -","4","1","","Cantorias, Melchor V.; Howell, Robertha C.; Todaro, Louis; Cyr, John E.; Berndorff, Dietmar; Rogers, Robin D.; Francesconi, Lynn C.","MO tripeptide diastereomers (M=99/99mTc, Re): models to identify the structure of 99mTc peptide targeted radiopharmaceuticals.","Inorganic chemistry","2007","46","18","7326","7340","10.1021/ic070077p","","","0.71073","MoKα","","0.0542","0.0495","","","0.1105","0.1134","","","","","","1.037","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333230","6.634","0.0013","14.613","0.003","18.22","0.004","90","","90","","90","","1766.3","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N4 O5 S Tc -","- C14 H19 N4 O5 S Tc -","- C56 H76 N16 O20 S4 Tc4 -","4","1","","Cantorias, Melchor V.; Howell, Robertha C.; Todaro, Louis; Cyr, John E.; Berndorff, Dietmar; Rogers, Robin D.; Francesconi, Lynn C.","MO tripeptide diastereomers (M=99/99mTc, Re): models to identify the structure of 99mTc peptide targeted radiopharmaceuticals.","Inorganic chemistry","2007","46","18","7326","7340","10.1021/ic070077p","","","0.71073","MoKα","","0.0431","0.0343","","","0.0659","0.0693","","","","","","1.027","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333231","10.704","0.002","20.966","0.004","30.939","0.006","90","","90","","90","","6943","2","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H88 N15 O20 S3 Tc3 -","- C54 H78 N15 O20 S3 Tc3 -","- C216 H312 N60 O80 S12 Tc12 -","4","1","","Cantorias, Melchor V.; Howell, Robertha C.; Todaro, Louis; Cyr, John E.; Berndorff, Dietmar; Rogers, Robin D.; Francesconi, Lynn C.","MO tripeptide diastereomers (M=99/99mTc, Re): models to identify the structure of 99mTc peptide targeted radiopharmaceuticals.","Inorganic chemistry","2007","46","18","7326","7340","10.1021/ic070077p","","","0.71073","MoKα","","0.0703","0.0445","","","0.0971","0.105","","","","","","1.011","","","","has coordinates,has disorder","179435","2020-10-21","18:00:00",""
"4333263","10.0173","0.0005","17.6957","0.0009","18.322","0.001","90","","90","","90","","3247.8","0.3","141","2","141","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 F2 N2 U -","- C36 H44 F2 N2 U -","- C144 H176 F8 N8 U4 -","4","1","","Schelter, Eric J.; Yang, Ping; Scott, Brian L.; Thompson, J. D.; Martin, Richard L.; Hay, P. Jeffrey; Morris, David E.; Kiplinger, Jaqueline L.","Systematic Studies of Early Actinide Complexes: Uranium(IV) Fluoroketimides","Inorganic Chemistry","2007","46","18","7477","7488","10.1021/ic700455b","","","0.71073","MoKα","","0.0346","0.0321","","","0.0823","0.0826","","","","","","1.775","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333286","8.7234","0.0006","14.5024","0.0011","20.6747","0.0016","90","","90","","90","","2615.6","0.3","90","","90","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Ag F6 N2 O P S3 -","- C18 H28 Ag F6 N2 O P S3 -","- C72 H112 Ag4 F24 N8 O4 P4 S12 -","4","1","","Habata, Yoichi; Noto, Kanae; Osaka, Futoshi","Substituent Effects on the Structures of Silver Complexes with Monoazatrithia-12-Crown-4 Ethers Bearing Substituted Aromatic Rings","Inorganic Chemistry","2007","46","16","6529","6534","10.1021/ic700538f","","","0.71073","MoKα","","0.0361","0.0332","","","0.0882","0.0896","","","","","","1.185","","","","has coordinates","179435","2020-10-21","18:00:00",""
"4333289","9.5868","0.0006","11.6802","0.0007","22.3982","0.0014","90","","90","","90","","2508.1","0.3","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Ag F5 N O4 S4 -","- C19 H27 Ag F5 N O4 S4 -","- C76 H108 Ag4 F20 N4 O16 S16 -","4","1","","Habata, Yoichi; Noto, Kanae; Osaka, Futoshi","Substituent Effects on the Structures of Silver Complexes with Monoazatrithia-12-Crown-4 Ethers Bearing Substituted Aromatic Rings","Inorganic Chemistry","2007","46","16","6529","6534","10.1021/ic700538f","","","0.71073","MoKα","","0.0322","0.0312","","","0.0737","0.0744","","","","","","1.042","","","","has coordinates,has disorder","179435","2020-10-21","18:00:00",""
"4333296","6.0283","0.0012","9.938","0.002","20.078","0.004","90","","90","","90","","1202.9","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Fe I N -","- C13 H10 Fe I N -","- C52 H40 Fe4 I4 N4 -","4","1","","Nemykin, Victor N.; Makarova, Elena A.; Grosland, Jeffrey O.; Hadt, Ryan G.; Koposov, Alexey Y.","Preparation, characterization, molecular and electronic structures, TDDFT, and TDDFT/PCM study of the solvatochromism in cyanovinylferrocenes.","Inorganic chemistry","2007","46","23","9591","9601","10.1021/ic700558v","","","0.71073","MoKα","","0.0432","0.0329","","0.0767","0.0714","0.0714","","","","","","0.9984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333297","7.7228","0.0013","11.8209","0.0017","13.2023","0.0019","90","","90","","90","","1205.2","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Fe I N -","- C13 H10 Fe I N -","- C52 H40 Fe4 I4 N4 -","4","1","","Nemykin, Victor N.; Makarova, Elena A.; Grosland, Jeffrey O.; Hadt, Ryan G.; Koposov, Alexey Y.","Preparation, characterization, molecular and electronic structures, TDDFT, and TDDFT/PCM study of the solvatochromism in cyanovinylferrocenes.","Inorganic chemistry","2007","46","23","9591","9601","10.1021/ic700558v","","","0.71073","MoKα","","0.0541","0.0439","","0.1147","0.1048","0.1048","","","","","","0.988","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333343","8.2309","0.001","10.8644","0.0012","14.0116","0.0016","90","","90","","90","","1253","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","05336m","","","- C10 H22 Cl Cu N2 -","- C10 H22 Cl Cu N2 -","- C40 H88 Cl4 Cu4 N8 -","4","1","","York, John T.; Bar-Nahum, Itsik; Tolman, William B.","Structural Diversity in Copper−Sulfur Chemistry: Synthesis of Novel Cu/S Clusters through Metathesis Reactions","Inorganic Chemistry","2007","46","20","8105","8107","10.1021/ic700760p","","","0.71073","MoKα","","0.0565","0.0323","","","0.0562","0.0608","","","","","","1.005","","","","has coordinates","179436","2020-10-21","18:00:00",""
"4333434","10","0.003","15.541","0.004","15.83","0.004","90","","90","","90","","2460.1","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O6 S V -","- C24 H21 N3 O6 S V -","- C96 H84 N12 O24 S4 V4 -","4","1","","Sasmal, Pijus K.; Patra, Ashis K.; Nethaji, Munirathinam; Chakravarty, Akhil R.","DNA Cleavage by New Oxovanadium(IV) Complexes ofN-Salicylidene α-Amino Acids and Phenanthroline Bases in the Photodynamic Therapy Window","Inorganic Chemistry","2007","46","26","11112","11121","10.1021/ic7011793","","","0.71073","MoKα","","0.1503","0.078","","","0.1176","0.1375","","","","","","1.028","","","","has coordinates","179437","2020-10-21","18:00:00",""
"4333435","9.429","0.008","14.957","0.012","17.702","0.016","90","","90","","90","","2497","4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N5 O4 S V -","- C26 H21 N5 O4 S V -","- C104 H84 N20 O16 S4 V4 -","4","1","","Sasmal, Pijus K.; Patra, Ashis K.; Nethaji, Munirathinam; Chakravarty, Akhil R.","DNA Cleavage by New Oxovanadium(IV) Complexes ofN-Salicylidene α-Amino Acids and Phenanthroline Bases in the Photodynamic Therapy Window","Inorganic Chemistry","2007","46","26","11112","11121","10.1021/ic7011793","","","0.71073","MoKα","","0.1235","0.0759","","","0.1042","0.1175","","","","","","1.05","","","","has coordinates","179437","2020-10-21","18:00:00",""
"4333436","10.42","0.007","16.214","0.01","31.66","0.02","90","","90","","90","","5349","6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30.5 H24 N4 O4.5 V -","- C30.5 H22 N4 O4.5 V -","- C244 H176 N32 O36 V8 -","8","2","","Sasmal, Pijus K.; Patra, Ashis K.; Nethaji, Munirathinam; Chakravarty, Akhil R.","DNA Cleavage by New Oxovanadium(IV) Complexes ofN-Salicylidene α-Amino Acids and Phenanthroline Bases in the Photodynamic Therapy Window","Inorganic Chemistry","2007","46","26","11112","11121","10.1021/ic7011793","","","0.71073","MoKα","","0.2031","0.0959","","","0.1444","0.1819","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333547","13.2372","0.0004","14.9013","0.0004","18.0213","0.0006","90","","90","","90","","3554.73","0.19","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","C31 H34 Fe N8 O, 2(F6 P)","","","- C31 H34 F12 Fe N8 O P2 -","- C31 H34 F12 Fe N8 O P2 -","- C124 H136 F48 Fe4 N32 O4 P8 -","4","1","","Nathalie Ségaud; Jean-Noël Rebilly; Katell Sénéchal-David; Régis Guillot; Laurianne Billon; Jean-Pierre Baltaze; Jonathan Farjon; Olivia Reinaud; Frédéric Banse","Iron Coordination Chemistry with New Ligands Containing Triazole and Pyridine Moieties. Comparison of the Coordination Ability of the N-Donors","Inorganic Chemistry","2013","52","","691","700","10.1021/ic301834x","","","0.71073","MoKα","","0.0677","0.0524","","","0.1218","0.132","","","","","","1.028","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333687","11.5029","0.0013","16.3892","0.0014","18.99","0.0013","90","","90","","90","","3580.1","0.6","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 B2 Fe2 N2 O3 Sn -","- C38 H42 B2 Fe2 N2 O3 Sn -","- C152 H168 B8 Fe8 N8 O12 Sn4 -","4","1","","Barbora Mairychová; Tomáš Svoboda; Petr Štěpnička; Aleš Růžička; Remco W. A. Havenith; Mercedes Alonso; Frank De Proft; Roman Jambor; Libor Dostál","Synthesis and Structural Characterization of Heteroboroxines with MB2O3 Core (M = Sb, Bi, Sn)","Inorganic Chemistry","2013","52","","1424","1431","10.1021/ic302153s","","","0.71073","MoKα","","0.0417","0.0315","","","0.0583","0.0639","","","","","","1.13","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333697","12.7705","0.0006","12.8827","0.0007","14.5232","0.0007","90","","90","","90","","2389.3","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl2 N2 O2 Ru S2 -","- C22 H32 Cl2 N2 O2 Ru S2 -","- C88 H128 Cl8 N8 O8 Ru4 S8 -","4","1","","Peter O. Atolagbe; Krista N. Taylor; Samantha E. Wood; Arnold L. Rheingold; Lenora K. Harper; Craig A. Bayse; Tim J. Brunker","Ruthenium(II) Dichloride Complexes of Chiral, Tetradentate Aminosulfoxide Ligands: Stereoisomerism and Redox-Induced Linkage Isomerism","Inorganic Chemistry","2013","52","","1170","1172","10.1021/ic302188y","","","0.71073","MoKα","","0.0388","0.0357","","","0.0796","0.0811","","","","","","1.107","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333699","9.783","0.0002","15.0674","0.0002","21.6014","0.0015","90","","90","","90","","3184.1","0.2","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H37 N2 Ni O P -","- C38 H37 N2 Ni O P -","- C152 H148 N8 Ni4 O4 P4 -","4","1","","Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du","Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies","Inorganic Chemistry","2013","52","","1454","1465","10.1021/ic3021904","","","0.71075","MoKα","","0.0271","0.0246","","0.0458","0.0438","0.0458","","","","","","0.9425","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333700","9.7903","0.0002","15.3617","0.0004","21.5085","0.0015","90","","90","","90","","3234.8","0.2","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H39 N2 Ni O P -","- C39 H39 N2 Ni O P -","- C156 H156 N8 Ni4 O4 P4 -","4","1","","Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du","Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies","Inorganic Chemistry","2013","52","","1454","1465","10.1021/ic3021904","","","0.71075","MoKα","","0.0778","0.0456","","0.1004","0.0748","0.1004","","","","","","0.9724","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333701","9.8428","0.0001","15.0952","0.0003","21.8779","0.0015","90","","90","","90","","3250.6","0.2","123","","123","","","","101","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H39 N2 Ni O P -","- C39 H39 N2 Ni O P -","- C156 H156 N8 Ni4 O4 P4 -","4","1","","Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du","Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies","Inorganic Chemistry","2013","52","","1454","1465","10.1021/ic3021904","","","0.71075","MoKα","","0.0301","0.0276","","0.0574","0.0553","0.0574","","","","","","0.9765","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333703","11.4071","0.0003","20.7893","0.0007","33.113","0.002","90","","90","","90","","7852.6","0.6","123","","123","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C93 H84 Cl Li N2 Ni O5 P4 -","- C93 H84 Cl Li N2 Ni O5 P4 -","- C372 H336 Cl4 Li4 N8 Ni4 O20 P16 -","4","1","","Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du","Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies","Inorganic Chemistry","2013","52","","1454","1465","10.1021/ic3021904","","","0.71075","MoKα","","0.1049","0.0598","","0.0951","0.0818","0.0951","","","","","","0.9568","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333704","10.7615","0.0011","10.8922","0.0011","15.777","0.0016","90","","90","","90","","1849.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du","Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies","Inorganic Chemistry","2013","52","","1454","1465","10.1021/ic3021904","","","0.71073","MoKα","","0.0407","0.0381","","","0.1014","0.1039","","","","","","1.038","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333790","8.333","0.003","9.134","0.004","14.611","0.007","90","","90","","90","","1112.1","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Cl3 N2 Sn -","- C6 H11 Cl3 N2 Sn -","- C24 H44 Cl12 N8 Sn4 -","4","1","","Matthew Currie; Julien Estager; Peter Licence; Shuang Men; Peter Nockemann; Kenneth R. Seddon; Małgorzata Swadźba-Kwaśny; Cécile Terrade","Chlorostannate(II) Ionic Liquids: Speciation, Lewis Acidity, and Oxidative Stability","Inorganic Chemistry","2013","52","","1710","1721","10.1021/ic300241p","","","0.71075","MOKα","","0.0314","0.0274","","","0.0424","0.044","","","","","","0.996","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333858","5.8858","0.001","15.404","0.003","36.234","0.006","90","","90","","90","","3285.2","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 Cu N6 O -","- C39 H34 Cu N6 O -","- C156 H136 Cu4 N24 O4 -","4","1","","Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas","Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII","Inorganic Chemistry","2013","52","","1926","1941","10.1021/ic302150j","","","0.7749","synchrotron","","0.0656","0.0544","","","0.1398","0.147","","","","","","1.049","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333881","13.495","0.006","14.299","0.007","24.239","0.01","90","","90","","90","","4677","4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H65 B2 N P2 -","- C54 H65 B2 N P2 -","- C216 H260 B8 N4 P8 -","4","1","","Nora Grüger; Lara-Isabel Rodríguez; Hubert Wadepohl; Lutz H. Gade","Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals","Inorganic Chemistry","2013","52","","2050","2059","10.1021/ic302454n","","x-ray","0.71073","MoKα","","0.0711","0.0471","","","0.097","0.1081","","","","","","1.011","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333887","10.0831","0.0007","20.009","0.0011","25.1315","0.0011","90","","90","","90","","5070.3","0.5","120.01","0.1","120.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H70 Br N Ni P2 -","- C59 H70 Br N Ni P2 -","- C236 H280 Br4 N4 Ni4 P8 -","4","1","","Nora Grüger; Lara-Isabel Rodríguez; Hubert Wadepohl; Lutz H. Gade","Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals","Inorganic Chemistry","2013","52","","2050","2059","10.1021/ic302454n","","x-ray","1.5418","CuKα","","0.0463","0.0426","","","0.1108","0.1153","","","","","","1.029","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4334011","9.2895","0.0004","13.2922","0.0006","30.4225","0.0014","90","","90","","90","","3756.5","0.3","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 Cu F6 N4 O8 S2 -","- C36 H40 Cu F6 N4 O8 S2 -","- C144 H160 Cu4 F24 N16 O32 S8 -","4","1","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.0472","0.045","","","0.1135","0.1149","","","","","","1.035","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334043","9.679","0.0006","16.069","0.0008","36.652","0.0018","90","","90","","90","","5700.6","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N6 Ru Si3 -","- C24 H40 N6 Ru Si3 -","- C192 H320 N48 Ru8 Si24 -","8","2","","Katharine A. Smart; Mary Grellier; Laure Vendier; Sax A. Mason; Silvia C. Capelli; Alberto Albinati; Sylviane Sabo-Etienne","Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru-H-Si Bond Activation","Inorganic Chemistry","2013","52","","2654","2661","10.1021/ic302682f","","","0.71073","MoKα","","0.0169","0.0161","","","0.0393","0.0398","","","","","","1.11","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334119","14.3103","0.0009","15.7458","0.0012","16.8983","0.0011","90","","90","","90","","3807.6","0.5","89","2","89","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H40 B Cu F4 N4 -","- C46 H40 B Cu F4 N4 -","- C184 H160 B4 Cu4 F16 N16 -","4","1","","Michael G. Fraser; Holly van der Salm; Scott A. Cameron; Allan G. Blackman; Keith C. Gordon","Heteroleptic Cu(I) Bis-diimine Complexes of 6,6'-Dimesityl-2,2'-bipyridine: A Structural, Theoretical and Spectroscopic Study","Inorganic Chemistry","2013","52","","2980","2992","10.1021/ic302393p","","","0.71073","MoKα","","0.0758","0.0553","","","0.1324","0.1471","","","","","","1.043","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334121","13.823","0.005","15.613","0.005","21.15","0.005","90","0.005","90","0.005","90","0.005","4565","2","89","2","89","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H54 B Br2 Cu F4 N4 O2 -","- C46 H54 B Br2 Cu F4 N4 O2 -","- C184 H216 B4 Br8 Cu4 F16 N16 O8 -","4","1","","Michael G. Fraser; Holly van der Salm; Scott A. Cameron; Allan G. Blackman; Keith C. Gordon","Heteroleptic Cu(I) Bis-diimine Complexes of 6,6'-Dimesityl-2,2'-bipyridine: A Structural, Theoretical and Spectroscopic Study","Inorganic Chemistry","2013","52","","2980","2992","10.1021/ic302393p","","","0.71069","MoKα","","0.0662","0.0427","","","0.0843","0.0952","","","","","","0.892","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334246","10.396","0.0004","16.7648","0.0007","54.2778","0.0018","90","","90","","90","","9459.9","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H87 Li O4 Th -","- C41 H87 Li O4 Th -","- C328 H696 Li8 O32 Th8 -","8","2","","Lani A. Seaman; Justin R. Walensky; Guang Wu; Trevor W. Hayton","In Pursuit of Homoleptic Actinide Alkyl Complexes","Inorganic Chemistry","2013","52","","3556","3564","10.1021/ic300867m","","","1.54178","CuKα","","0.0851","0.083","","","0.2306","0.2337","","","","","","1.162","","","","has coordinates","189304","2020-10-21","18:00:00",""
"4334298","6.4778","0.0007","22.184","0.002","22.348","0.002","90","","90","","90","","3211.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 N4 O8 Sn4 -","- C22 H40 N4 O8 Sn4 -","- C88 H160 N16 O32 Sn16 -","4","1","","Vadapalli Chandrasekhar; Chandrajeet Mohapatra; Rahul Banerjee; Arijit Mallick","Synthesis, Structure, and H2/CO2 Adsorption in a Three-Dimensional 4-Connected Triorganotin Coordination Polymer with a sqc Topology","Inorganic Chemistry","2013","52","","3579","3581","10.1021/ic302528b","","","0.71073","MoKα","","0.0369","0.0329","","","0.0695","0.0721","","","","","","1.033","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334316","13.385","0.003","14.712","0.003","15.573","0.003","90","","90","","90","","3066.6","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 N O15 Zn2 -","- C21 H36 N O15 Zn2 -","- C84 H144 N4 O60 Zn8 -","4","1","","Minhak Oh; Lalit Rajput; Dongwook Kim; Dohyun Moon; Myoung Soo Lah","Crystal-to-Crystal Transformations of a Series of Isostructural Metal-Organic Frameworks with Different Sizes of Ligated Solvent Molecules","Inorganic Chemistry","2013","52","","3891","3899","10.1021/ic302641v","","","0.71073","MoKα","","0.1192","0.0973","","","0.2329","0.2588","","","","","","1.074","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334318","12.662","0.003","14.662","0.003","15.434","0.003","90","","90","","90","","2865.3","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N4 O12 Zn2 -","- C21 H30 N4 O12 Zn2 -","- C84 H120 N16 O48 Zn8 -","4","1","","Minhak Oh; Lalit Rajput; Dongwook Kim; Dohyun Moon; Myoung Soo Lah","Crystal-to-Crystal Transformations of a Series of Isostructural Metal-Organic Frameworks with Different Sizes of Ligated Solvent Molecules","Inorganic Chemistry","2013","52","","3891","3899","10.1021/ic302641v","","","0.71073","MoKα","","0.0436","0.0371","","","0.0794","0.0822","","","","","","1.056","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334319","13.798","0.003","14.375","0.003","15.228","0.003","90","","90","","90","","3020.4","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 N4 O12 Zn2 -","- C24 H25 N4 O12 Zn2 -","- C96 H100 N16 O48 Zn8 -","4","1","","Minhak Oh; Lalit Rajput; Dongwook Kim; Dohyun Moon; Myoung Soo Lah","Crystal-to-Crystal Transformations of a Series of Isostructural Metal-Organic Frameworks with Different Sizes of Ligated Solvent Molecules","Inorganic Chemistry","2013","52","","3891","3899","10.1021/ic302641v","","","0.71073","MoKα","","0.1479","0.114","","","0.2835","0.3178","","","","","","1.053","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334333","5.7404","0.001","7.7327","0.0014","17.87","0.003","90","","90","","90","","793.2","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 Cu N O5 S -","- C5 H7 Cu N O5 S -","- C20 H28 Cu4 N4 O20 S4 -","4","1","","Yan-Yan Yin; Yan-Li Zhao; Jian-Gong Ma; Xiao-Chang Cao; Peng Cheng","Synthesis and Chirality Control of Bulk Crystals and Nanocrystals: From a Right-Handed Nonpolar Chain to a Left-Handed Polar Chain","Inorganic Chemistry","2013","52","","3738","3743","10.1021/ic302711b","","","0.71075","MoKα","","0.0956","0.0732","","","0.1276","0.1353","","","","","","1.101","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334411","11.23","0.003","12.833","0.003","16.167","0.004","90","","90","","90","","2329.9","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Br N P2 Pt -","- C18 H36 Br N P2 Pt -","- C72 H144 Br4 N4 P8 Pt4 -","4","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0284","0.0276","","","0.0658","0.0663","","","","","","1.059","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334525","8.6895","0.0003","13.7221","0.0005","26.1281","0.0009","90","","90","","90","","3115.47","0.19","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Cl Li Mo2 N6 O4 S4 -","- C26 H26 Cl Li Mo2 N6 O4 S4 -","- C104 H104 Cl4 Li4 Mo8 N24 O16 S16 -","4","1","","Brian S. Dolinar; John F. Berry","Lewis Acid Enhanced Axial Ligation of [Mo2]4+ Complexes","Inorganic Chemistry","2013","52","","4658","4667","10.1021/ic400275x","","x-ray","0.71073","MoKα","K-L~3~","0.0204","0.0186","","","0.0381","0.0387","","","","","","1.106","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334675","10.1628","0.0002","11.9467","0.0003","15.8593","0.0004","90","","90","","90","","1925.51","0.08","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","N,N-bis(trimethylsilyl)amino(isocyanato)phosphenium tetrachlorogallate","","- C7 H18 Cl4 Ga N2 O P Si2 -","- C7 H18 Cl4 Ga N2 O P Si2 -","- C28 H72 Cl16 Ga4 N8 O4 P4 Si8 -","4","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0253","0.0212","","","0.05","0.0511","","","","","","1.012","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334716","6.1819","0.0006","21.5755","0.0019","29.5","0.003","90","","90","","90","","3934.6","0.7","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N6 Ni O18 Pt S2 -","- C32 H38 N6 Ni O18 Pt S2 -","- C128 H152 N24 Ni4 O72 Pt4 S8 -","4","1","","Takaaki Tsuji; Naoto Kuwamura; Nobuto Yoshinari; Takumi Konno","Synthesis and Coordination Behavior of a Bipyridine Platinum(II) Complex with Thioglucose","Inorganic Chemistry","2013","52","","5350","5358","10.1021/ic400287g","","","0.71075","MoKα","","0.041","0.0361","","","0.0586","0.0597","","","","","","1.101","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334723","11.0676","0.0008","11.0757","0.0007","18.9461","0.0014","90","","90","","90","","2322.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H37 Co N4 O2 -","- C20 H38 Co N4 O2 -","- C80 H152 Co4 N16 O8 -","4","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Synthesis, Structure, and Solution Reduction Reactions of Volatile and Thermally Stable Mid to Late First Row Transition Metal Complexes Containing Hydrazonate Ligands","Inorganic Chemistry","2013","52","","5385","5394","10.1021/ic400337m","","","0.71073","MoKα","","0.0401","0.0386","","","0.1335","0.1352","","","","","","1.237","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334735","8.427","0.005","17.874","0.005","20.132","0.005","90","","90","","90","","3032","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 Co N5 -","- C33 H42 Co N5 -","- C132 H168 Co4 N20 -","4","1","","Crisita Carmen Hojilla Atienza; Carsten Milsmann; Scott P. Semproni; Zoë R. Turner; Paul J. Chirik","Reversible Carbon-Carbon Bond Formation Induced by Oxidation and Reduction at a Redox-Active Cobalt Complex","Inorganic Chemistry","2013","52","","5403","5417","10.1021/ic400352r","","","0.71073","MoKα","","0.0313","0.0269","","","0.0622","0.0705","","","","","","1","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334740","8.457","0.005","17.761","0.005","20.141","0.005","90","","90","","90","","3025","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Co N4 O -","- C33 H43 Co N4 O -","- C132 H172 Co4 N16 O4 -","4","1","","Crisita Carmen Hojilla Atienza; Carsten Milsmann; Scott P. Semproni; Zoë R. Turner; Paul J. Chirik","Reversible Carbon-Carbon Bond Formation Induced by Oxidation and Reduction at a Redox-Active Cobalt Complex","Inorganic Chemistry","2013","52","","5403","5417","10.1021/ic400352r","","","0.71073","MoKα","","0.0731","0.0463","","","0.0799","0.0869","","","","","","0.999","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334817","10.5443","0.0016","14.235","0.002","31.75","0.005","90","","90","","90","","4765.6","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Fe Se4 -","- C26 H26 Fe Se4 -","- C208 H208 Fe8 Se32 -","8","2","","Wei Ji; Su Jing; Zeyu Liu; Jing Shen; Jing Ma; Dunru Zhu; Dengke Cao; Limin Zheng; Minxia Yao","Synthesis and Study of Three Novel Macrocyclic Selena[n]ferrocenophanes Containing a Naphthalene Unit","Inorganic Chemistry","2013","52","","5786","5793","10.1021/ic302628y","","","0.71073","MoKα","","0.0656","0.0407","","","0.0717","0.0762","","","","","","1.016","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334828","11.2805","0.0008","13.893","0.0009","17.6101","0.0012","90","","90","","90","","2759.9","0.3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Cl2 N7 O9 Zn -","- C23 H25 Cl2 N7 O9 Zn -","- C92 H100 Cl8 N28 O36 Zn4 -","4","1","","J. Tyler Simmons; John R. Allen; Deborah R. Morris; Ronald J. Clark; Cathy W. Levenson; Michael W. Davidson; Lei Zhu","Integrated and Passive 1,2,3-Triazolyl Groups in Fluorescent Indicators for Zinc(II) Ions: Thermodynamic and Kinetic Evaluations","Inorganic Chemistry","2013","52","","5838","5850","10.1021/ic302798u","","","0.71073","MoKα","","0.0238","0.0231","","","0.0609","0.0612","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334831","4.433","0.002","20.9","0.011","30.555","0.016","90","","90","","90","","2831","2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N6 O8 S -","- C23 H16 N6 O8 S -","- C92 H64 N24 O32 S4 -","4","1","","Rui Li; Yanxia Zhao; Shaoguang Li; Peiju Yang; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands","Inorganic Chemistry","2013","52","","5851","5860","10.1021/ic3028012","","","0.71073","MoKα","","0.101","0.0699","","","0.2065","0.2186","","","","","","1.018","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334866","7.1294","0.0003","11.9506","0.0004","15.2184","0.0005","90","","90","","90","","1296.62","0.08","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Ag N4 O3 -","- C11 H11 Ag N4 O3 -","- C44 H44 Ag4 N16 O12 -","4","1","","Zhu-Yan Zhang; Zhao-Peng Deng; Li-Hua Huo; Hui Zhao; Shan Gao","Well-Designed Strategy To Construct Helical Silver(I) Coordination Polymers from Flexible Unsymmetrical Bis(pyridyl) Ligands: Syntheses, Structures, and Properties","Inorganic Chemistry","2013","52","","5914","5923","10.1021/ic400055t","","","0.71073","MoKα","","0.0589","0.0449","","","0.0745","0.0818","","","","","","1.033","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4335041","6.4132","0.0011","26.71","0.005","30.792","0.005","90","","90","","90","","5274.6","1.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C60 H47.64 N13 O6.32 -","- C60 H47.64 N13 O6.32 -","- C240 H190.56 N52 O25.28 -","4","1","","Shivaiah Vaddypally; Chongsong Xu; Senzhi Zhao; Yanfeng Fan; Christian E. Schafmeister; Michael J. Zdilla","Architectural Spiroligomers Designed for Binuclear Metal Complex Templating","Inorganic Chemistry","2013","52","","6457","6463","10.1021/ic4003498","","","0.71073","MoKα","","0.0453","0.0364","","","0.0796","0.087","","","","","","1.053","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335047","12.9541","0.0002","14.5853","0.0003","15.0967","0.0003","90","","90","","90","","2852.36","0.09","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Au N2 O3 P S -","- C30 H30 Au N2 O3 P S -","- C120 H120 Au4 N8 O12 P4 S4 -","4","1","","Alejandro Gutiérrez; Javier Bernal; M. Dolores Villacampa; Carlos Cativiela; Antonio Laguna; M. Concepción Gimeno","Synthesis of New Gold(I) Thiolates Containing Amino Acid Moieties with Potential Biological Interest","Inorganic Chemistry","2013","52","","6473","6480","10.1021/ic4003803","","","0.71073","MoKα","","0.0166","0.0162","","","0.0357","0.0359","","","","","","1.06","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335072","11.138","0.004","11.75","0.005","18.692","0.008","90","","90","","90","","2446.3","1.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N4 O7 -","- C25 H32 N4 O7 -","- C100 H128 N16 O28 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0461","0.0379","","","0.0917","0.0974","","","","","","1.042","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335100","7.0814","0.0004","15.7409","0.0008","16.9995","0.0009","90","","90","","90","","1894.89","0.18","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Benzimidazolium cis-tetrachlorido-benzimidazole-nitrosyl-ruthenate(III)","","- C14 H13 Cl4 N5 O Ru -","- C14 H13 Cl4 N5 O Ru -","- C56 H52 Cl16 N20 O4 Ru4 -","4","1","","Gabriel E. Büchel; Anatolie Gavriluta; Maria Nowak; Samuel M. Meier; Michael A. Jakupec; Olesea Cuzan; Constantin Turta; Jean-Bernard Tommasino; Erwann Jeanneau; Ghenadie Novitchi; Dominique Luneau; Vladimir B. Arion","Striking Difference in Antiproliferative Activity of Ruthenium- and Osmium-Nitrosyl Complexes with Azole Heterocycles","Inorganic Chemistry","2013","52","","6273","6285","10.1021/ic400555k","","","0.71073","MoKα","","0.0423","0.0363","","","0.0866","0.0897","","","","","","1.018","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335110","9.7788","0.0004","15.2048","0.0006","21.1848","0.0008","90","","90","","90","","3149.9","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Br2 N4 Ni2 S2 -","- C32 H30 Br2 N4 Ni2 S2 -","- C128 H120 Br8 N16 Ni8 S8 -","4","1","","Dan Yuan; Han Vinh Huynh","A Comparative Study on Dinuclear and Multinuclear Ni(II), Pd(II), and Pt(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand","Inorganic Chemistry","2013","52","","6627","6634","10.1021/ic400672z","","","0.71073","MoKα","","0.0828","0.0508","","","0.1051","0.1156","","","","","","0.989","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335131","18.446","0.003","32.29","0.005","35.952","0.006","90","","90","","90","","21414","6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C120 As24 O99 U10 -","- C120 As24 O99 U10 -","- C480 As96 O396 U40 -","4","1","","Pius O. Adelani; Ginger E. Sigmon; Peter C. Burns","Hybrid Uranyl Arsonate Coordination Nanocages","Inorganic Chemistry","2013","52","","6245","6247","10.1021/ic400827h","","","0.71073","MoKα","","0.1062","0.0585","","","0.1446","0.1653","","","","","","1.162","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335150","18.6454","0.0008","18.645","","20.4827","0.0009","90","","90","","90","","7120.7","0.4","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H12 Fe4 Mn5 O68.5 Sb6 -","- C24 H12 Fe4 Mn5 O68.5 Sb6 -","- C96 H48 Fe16 Mn20 O274 Sb24 -","4","1","","Qiang Gao; Xiqu Wang; Joshua Tapp; Angela Moeller; Allan J. Jacobson","Antimony Tartrate Transition-Metal-Oxo Chiral Clusters","Inorganic Chemistry","2013","52","","6610","6616","10.1021/ic4006345","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335261","7.6843","0.0002","12.1514","0.0003","19.8358","0.0004","90","","90","","90","","1852.17","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CuTNTz","copper bis(5-trinitromethyltetrazolate) amine","","- C4 H9 Cu N17 O12 -","- C4 H9 Cu N17 O12 -","- C16 H36 Cu4 N68 O48 -","4","1","","Ralf Haiges; Karl O. Christe","Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles","Inorganic Chemistry","2013","52","","7249","7260","10.1021/ic400919n","","","0.71073","MoKα","","0.0478","0.031","","","0.0526","0.0559","","","","","","1.022","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335274","11.709","0.0002","20.1929","0.0003","26.3218","0.0006","90","","90","","90","","6223.5","0.2","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H63 B F4 N10 O17 Pd -","- C57 H63 B F4 N10 O17 Pd -","- C228 H252 B4 F16 N40 O68 Pd4 -","4","1","","Yulia Visitaev; Israel Goldberg; Arkadi Vigalok","Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold","Inorganic Chemistry","2013","52","","6779","6781","10.1021/ic400925y","","","0.71073","MoKα","","0.095","0.0605","","","0.1338","0.152","","","","","","1.017","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335278","10.9539","0.0003","16.4987","0.0005","37.4642","0.0015","90","","90","","90","","6770.7","0.4","110","2","110","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C59 H50 B F4 N8 O14 P Pd -","- C59 H50 B F4 N8 O14 P Pd -","- C236 H200 B4 F16 N32 O56 P4 Pd4 -","4","1","","Yulia Visitaev; Israel Goldberg; Arkadi Vigalok","Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold","Inorganic Chemistry","2013","52","","6779","6781","10.1021/ic400925y","","","0.71073","MoKα","","0.1182","0.0937","","","0.2153","0.2232","","","","","","1.069","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335295","13.966","0.002","17.174","0.002","19.935","0.003","90","","90","","90","","4781.5","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 Ga N2 -","- C25 H35 Ga N2 -","- C200 H280 Ga8 N16 -","8","2","","Erandi Bernabé-Pablo; Vojtech Jancik; Mónica Moya-Cabrera","A Synthetic Route to a Molecular Galloxane Dihydroxide and Its Group 4 Heterobimetallic Compounds","Inorganic Chemistry","2013","52","","6944","6950","10.1021/ic4010054","","","0.71073","MoKα","","0.0684","0.0548","","","0.1055","0.11","","","","","","1.123","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335339","11.0318","0.0012","12.4097","0.0014","19.319","0.002","90","","90","","90","","2644.8","0.5","294","2","294","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cu N5 O10 U -","- C21 H23 Cu N5 O10 U -","- C84 H92 Cu4 N20 O40 U4 -","4","1","","Soumavo Ghosh; Saptarshi Biswas; Antonio Bauzá; Miquel Barceló-Oliver; Antonio Frontera; Ashutosh Ghosh","Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations","Inorganic Chemistry","2013","52","","7508","7523","10.1021/ic400422d","","x-ray","0.71073","MoKα","","0.0314","0.0279","","","0.0595","0.0607","","","","","","1.011","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335340","11.155","0.004","12.61","0.005","18.864","0.007","90","","90","","90","","2653.5","1.7","294","2","294","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cu N4 O11 U -","- C22 H26 Cu N4 O11 U -","- C88 H104 Cu4 N16 O44 U4 -","4","1","","Soumavo Ghosh; Saptarshi Biswas; Antonio Bauzá; Miquel Barceló-Oliver; Antonio Frontera; Ashutosh Ghosh","Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations","Inorganic Chemistry","2013","52","","7508","7523","10.1021/ic400422d","","x-ray","0.71073","MoKα","","0.0773","0.0568","","","0.1296","0.1421","","","","","","1.003","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335374","6.1748","0.0002","14.5389","0.0004","32.5649","0.0009","90","","90","","90","","2923.51","0.15","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H61.6 F20 N4 O16.4 S2 -","- C44 H61.6 F20 N4 O16.4 S2 -","- C88 H123.2 F40 N8 O32.8 S4 -","2","0.5","","Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen","Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions","Inorganic Chemistry","2013","52","","7666","7672","10.1021/ic4008087","","","0.71073","MoKα","","0.0584","0.0463","","","0.108","0.1136","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335461","7.1272","0.0012","17.269","0.003","18.462","0.003","90","","90","","90","","2272.3","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H11 Cl3 N2 S6 -","- C19 H11 Cl3 N2 S6 -","- C76 H44 Cl12 N8 S24 -","4","1","","Lawrence K. Keniley Jr.; Nathalie Dupont; Lipika Ray; Jie Ding; Kirill Kovnir; Jordan M. Hoyt; Andreas Hauser; Michael Shatruk","Complexes with Redox-Active Ligands: Synthesis, Structure, and Electrochemical and Photophysical Behavior of the Ru(II) Complex with TTF-Annulated Phenanthroline","Inorganic Chemistry","2013","52","","8040","8052","10.1021/ic4006949","","","0.71073","MoKα","","0.1359","0.0509","","","0.0748","0.0975","","","","","","0.952","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335492","10.162","0.0006","14.7652","0.0009","28.6116","0.0018","90","","90","","90","","4293","0.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(ONO)ReO(PPh3)","Oxo(triphenylphosphine)(bis(3,5-di-tert-butyl-2-phenoxo)amido)rhenium(V)","","- C46 H55 N O3 P Re -","- C46 H55 N O3 P Re -","- C184 H220 N4 O12 P4 Re4 -","4","1","","Daniel D. Wright; Seth N. Brown","Nonclassical Oxygen Atom Transfer as a Synthetic Strategy: Preparation of an Oxorhenium(V) Complex of the Bis(3,5-di-tert-butyl-2-phenoxo)amide Ligand","Inorganic Chemistry","2013","52","","7831","7833","10.1021/ic4010592","","","0.71073","MoKα","","0.024","0.0204","","","0.0381","0.0387","","","","","","1.017","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335593","9.5206","0.0007","16.9847","0.0014","23.9758","0.0019","90","","90","","90","","3877","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H58 Cl2 N2 Ni O2 P2 -","- C38 H58 Cl2 N2 Ni O2 P2 -","- C152 H232 Cl8 N8 Ni4 O8 P8 -","4","1","","Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins","Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework","Inorganic Chemistry","2013","52","","8851","8864","10.1021/ic401052a","","","0.71073","MoKα","","0.0591","0.0453","","","0.1081","0.118","","","","","","1.073","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335602","7.49","0.0001","10.0006","0.0001","21.5284","0.0003","90","","90","","90","","1612.57","0.04","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cu N5 O4 S -","- C13 H19 Cu N5 O4 S -","- C52 H76 Cu4 N20 O16 S4 -","4","1","","Felix Bacher; Éva A. Enyedy; Nóra V. Nagy; Antal Rockenbauer; Gabriella M. Bognár; Robert Trondl; Maria S. Novak; Erik Klapproth; Tamás Kiss; Vladimir B. Arion","Copper(II) Complexes with Highly Water-Soluble l- and d-Proline-Thiosemicarbazone Conjugates as Potential Inhibitors of Topoisomerase IIα","Inorganic Chemistry","2013","52","","8895","8908","10.1021/ic401079w","","","0.71073","MoKα","","0.0334","0.0271","","","0.0657","0.0687","","","","","","1.032","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335610","10.903","0.002","15.216","0.003","29.672","0.006","90","","90","","90","","4922.6","1.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 Dy F9 N2 O8 -","- C48 H54 Dy F9 N2 O8 -","- C192 H216 Dy4 F36 N8 O32 -","4","1","","Cai-Ming Liu; De-Qing Zhang; Dao-Ben Zhu","Field-Induced Single-Ion Magnets Based on Enantiopure Chiral β-Diketonate Ligands","Inorganic Chemistry","2013","52","","8933","8940","10.1021/ic4011218","","","0.71073","MoKα","","0.0671","0.0642","","","0.1584","0.161","","","","","","1.078","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335611","11.081","0.002","14.459","0.003","29.774","0.006","90","","90","","90","","4770.4","1.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H50 Dy F9 N2 O6 -","- C48 H50 Dy F9 N2 O6 -","- C192 H200 Dy4 F36 N8 O24 -","4","1","","Cai-Ming Liu; De-Qing Zhang; Dao-Ben Zhu","Field-Induced Single-Ion Magnets Based on Enantiopure Chiral β-Diketonate Ligands","Inorganic Chemistry","2013","52","","8933","8940","10.1021/ic4011218","","","0.71073","MoKα","","0.0695","0.0595","","","0.1352","0.1451","","","","","","1.133","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335701","8.55","0.003","13.577","0.005","21.298","0.008","90","","90","","90","","2472.3","1.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 F6 Fe N4 O6 S2 -","- C17 H26 F6 Fe N4 O6 S2 -","- C68 H104 F24 Fe4 N16 O24 S8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.0299","0.0257","","","0.0582","0.0593","","","","","","1.077","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335706","8.738","0.002","16.228","0.004","20.412","0.006","90","","90","","90","","2894.4","1.3","298","2","298","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl3 F6 Fe N4 O6 S2 -","- C16 H23 Cl F6 Fe N4 O6 S2 -","- C64 H92 Cl4 F24 Fe4 N16 O24 S8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.0605","0.046","","","0.1127","0.1197","","","","","","0.993","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335707","8.8046","0.0014","13.591","0.002","21.92","0.003","90","","90","","90","","2623","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 F6 Fe N4 O6 S2 -","- C18 H28 F6 Fe N4 O6 S2 -","- C72 H112 F24 Fe4 N16 O24 S8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.0254","0.0226","","","0.0554","0.0565","","","","","","1.034","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335769","13.2864","0.0009","24.412","0.0015","24.7493","0.0017","90","","90","","90","","8027.4","0.9","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H82 Cl2 N4 P6 Pd3 -","- C94 H82 Cl2 N4 P6 Pd3 -","- C376 H328 Cl8 N16 P24 Pd12 -","4","1","","Baofei Pan; Deirdra A. Evers-McGregor; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Multimetallic Complexes Featuring a Bridging N-heterocyclic Phosphido/Phosphenium Ligand: Synthesis, Structure, and Theoretical Investigation","Inorganic Chemistry","2013","52","","9583","9589","10.1021/ic4012873","","","0.71073","MoKα","","0.0297","0.026","","0.056","0.0543","0.056","","","","","","0.9899","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335870","6.5962","0.0005","7.1987","0.0007","32.446","0.002","90","","90","","90","","1540.7","0.2","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H6 Mn O6 S3 -","- C14 H6 Mn O6 S3 -","- C56 H24 Mn4 O24 S12 -","4","1","","Lyndsey D. Earl; Brian O. Patrick; Michael O. Wolf","Synthesis, Structure, and Magnetic Properties of Bithiophene- and Terthiophene-Linked Manganese Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","10021","10030","10.1021/ic401305c","","","1.54178","CuKα","","0.0844","0.0775","","","0.2063","0.2115","","","","","","1.096","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335874","6.8979","0.0005","14.3515","0.001","14.5164","0.001","90","","90","","90","","1437.05","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 K N O5 -","- C16 H14 K N O5 -","- C64 H56 K4 N4 O20 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.029","0.0277","","","0.0721","0.0727","","","","","","1.07","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335875","6.952","0.0007","13.2676","0.0013","14.9719","0.0015","90","","90","","90","","1381","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 K N O5 -","- C15 H12 K N O5 -","- C60 H48 K4 N4 O20 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0321","0.0296","","","0.0748","0.0766","","","","","","1.056","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335876","6.874","0.002","12.842","0.004","15.052","0.004","90","","90","","90","","1328.7","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10.58 K N O4.29 -","- C15 H10 K N O4.291 -","- C60 H40 K4 N4 O17.164 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0489","0.0439","","","0.1085","0.111","","","","","","1.088","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335877","6.9573","0.0008","13.2547","0.0016","14.9774","0.0018","90","","90","","90","","1381.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 K N O5 -","- C15 H12 K N O5 -","- C60 H48 K4 N4 O20 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0287","0.0279","","","0.0739","0.0744","","","","","","1.077","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335878","6.9818","0.0007","11.8361","0.0013","15.5125","0.0017","90","","90","","90","","1281.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N Na O5 -","- C15 H12 N Na O5 -","- C60 H48 N4 Na4 O20 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0332","0.0322","","","0.083","0.0841","","","","","","1.06","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335879","6.9329","0.0013","12.061","0.002","14.777","0.003","90","","90","","90","","1235.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 N Na O4 -","- C15 H10 N Na O4 -","- C60 H40 N4 Na4 O16 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0566","0.0522","","","0.1306","0.1331","","","","","","1.119","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335880","6.958","0.003","11.856","0.005","15.433","0.007","90","","90","","90","","1273.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N Na O5 -","- C15 H10 N Na O5 -","- C60 H40 N4 Na4 O20 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0768","0.0704","","","0.178","0.1816","","","","","","1.174","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335892","7.125","0.004","8.357","0.005","26.601","0.016","90","","90","","90","","1583.9","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Zn(L-tzet)]n","","","- C14 H14 N6 O2 Zn -","- C14 H14 N6 O2 Zn -","- C56 H56 N24 O8 Zn4 -","4","1","","Shuai-Hua Wang; Fa-Kun Zheng; Ming-Jian Zhang; Zhi-Fa Liu; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang","Homochiral Zinc(II) Coordination Compounds Based on In-Situ-Generated Chiral Amino Acid-Tetrazole Ligands: Circular Dichroism, Excitation Light-Induced Tunable Photoluminescence, and Energetic Performance","Inorganic Chemistry","2013","52","","10096","10104","10.1021/ic401409b","","","0.71073","MoKα","","0.0527","0.0418","","","0.0733","0.0783","","","","","","1.078","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335893","7.107","0.002","8.357","0.003","26.572","0.009","90","","90","","90","","1578.2","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Zn(R-tzet)]n","[Zn(R-tzet)]n","","- C14 H14 N6 O2 Zn -","- C14 H14 N6 O2 Zn -","- C56 H56 N24 O8 Zn4 -","4","1","","Shuai-Hua Wang; Fa-Kun Zheng; Ming-Jian Zhang; Zhi-Fa Liu; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang","Homochiral Zinc(II) Coordination Compounds Based on In-Situ-Generated Chiral Amino Acid-Tetrazole Ligands: Circular Dichroism, Excitation Light-Induced Tunable Photoluminescence, and Energetic Performance","Inorganic Chemistry","2013","52","","10096","10104","10.1021/ic401409b","","","0.71073","MoKα","","0.0526","0.0409","","","0.0783","0.0833","","","","","","0.982","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4336041","12.3327","0.0004","12.735","0.0004","31.5659","0.0009","90","","90","","90","","4957.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H40 Cl2 Ir N9 O3 -","- C51 H40 Cl2 Ir N9 O3 -","- C204 H160 Cl8 Ir4 N36 O12 -","4","1","","Daniel Sykes; Simon C. Parker; Igor V. Sazanovich; Andrew Stephenson; Julia A. Weinstein; Michael D. Ward","d\ρightarrowf Energy Transfer in Ir(III)/Eu(III) Dyads: Use of a Naphthyl Spacer as a Spatial and Energetic ""Stepping Stone""","Inorganic Chemistry","2013","52","","10500","10511","10.1021/ic401410g","","","0.71073","MoKα","","0.0678","0.0553","","","0.1303","0.1361","","","","","","1.032","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336042","12.7674","0.0005","12.8208","0.0005","31.9764","0.0015","90","","90","","90","","5234.2","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H40 Cl6 F4 Ir N9 O3 -","- C53 H40 Cl6 F4 Ir N9 O3 -","- C212 H160 Cl24 F16 Ir4 N36 O12 -","4","1","","Daniel Sykes; Simon C. Parker; Igor V. Sazanovich; Andrew Stephenson; Julia A. Weinstein; Michael D. Ward","d\ρightarrowf Energy Transfer in Ir(III)/Eu(III) Dyads: Use of a Naphthyl Spacer as a Spatial and Energetic ""Stepping Stone""","Inorganic Chemistry","2013","52","","10500","10511","10.1021/ic401410g","","","0.71073","MoKα","","0.0713","0.0606","","","0.1362","0.1407","","","","","","1.1","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336057","9.08966","0.00013","9.16685","0.00011","12.6894","0.0002","90","","90","","90","","1057.33","0.03","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 Cr N4 S2 -","- C6 H6 Cr N4 S2 -","- C24 H24 Cr4 N16 S8 -","4","1","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller","First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition","Inorganic Chemistry","2013","52","","10583","10594","10.1021/ic401558f","powder diffraction","","0.699768","synchrotron","","","","","","","","","","1.301","","","","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336095","7.8579","0.0016","11.655","0.002","17.506","0.004","90","","90","","90","","1603.3","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 F N2 S2 Si -","- C16 H13 F N2 S2 Si -","- C64 H52 F4 N8 S8 Si4 -","4","1","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.0666","0.0431","","","0.1064","0.1168","","","","","","0.973","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336096","9.1575","0.0018","12.208","0.002","15.523","0.003","90","","90","","90","","1735.4","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N5 S2 Si -","- C16 H13 N5 S2 Si -","- C64 H52 N20 S8 Si4 -","4","1","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.038","0.0331","","","0.0809","0.0874","","","","","","1.06","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336097","8.7177","0.0017","12.644","0.003","15.729","0.003","90","","90","","90","","1733.8","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N3 O S2 Si -","- C17 H13 N3 O S2 Si -","- C68 H52 N12 O4 S8 Si4 -","4","1","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.0497","0.0366","","","0.0797","0.0842","","","","","","0.988","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336098","8.6826","0.0017","13.283","0.003","15.773","0.003","90","","90","","90","","1819.1","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N3 S3 Si -","- C17 H13 N3 S3 Si -","- C68 H52 N12 S12 Si4 -","4","1","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.0468","0.0324","","","0.0654","0.0694","","","","","","0.914","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336148","11.082","0.002","14.679","0.003","16.523","0.003","90","","90","","90","","2687.8","0.9","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As6 Co2 N6 S6 -","- C8 H26 As6 Co2 N6 S6 -","- C32 H104 As24 Co8 N24 S24 -","4","1","","Chunying Tang; Fang Wang; Wenqing Jiang; Yong Zhang; Dingxian Jia","Clusters [Co(As3S3)2]2-, [Ni(As3S3)2]2-, and [{Co(en)}6(μ3-S)4(AsS3)4]2- with Co-As or Ni-As Bonds: Solvothermal Syntheses and Characterizations of Thioarsenates Containing Transition-Metal Complexes","Inorganic Chemistry","2013","52","","10860","10868","10.1021/ic4007982","","","0.71073","MoKα","","0.0396","0.0341","","","0.0727","0.0751","","","","","","0.913","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336149","11.0037","0.0011","14.7916","0.0019","16.6696","0.0017","90","","90","","90","","2713.2","0.5","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As6 N6 Ni2 S6 -","- C8 H26 As6 N6 Ni2 S6 -","- C32 H104 As24 N24 Ni8 S24 -","4","1","","Chunying Tang; Fang Wang; Wenqing Jiang; Yong Zhang; Dingxian Jia","Clusters [Co(As3S3)2]2-, [Ni(As3S3)2]2-, and [{Co(en)}6(μ3-S)4(AsS3)4]2- with Co-As or Ni-As Bonds: Solvothermal Syntheses and Characterizations of Thioarsenates Containing Transition-Metal Complexes","Inorganic Chemistry","2013","52","","10860","10868","10.1021/ic4007982","","","0.71073","MoKα","","0.0456","0.0417","","","0.0866","0.0893","","","","","","1.044","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336223","10.645","0.0002","12.4173","0.0002","26.4766","0.0004","90","","90","","90","","3499.73","0.1","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cl3 Ir3 Mo2 O9 -","- C30 H26 Cl3 Ir3 Mo2 O9 -","- C120 H104 Cl12 Ir12 Mo8 O36 -","4","1","","Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey","Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)","Inorganic Chemistry","2013","52","","11256","11268","10.1021/ic401502f","","","0.71073","MoKα","","0.0423","0.0337","","0.0745","0.0708","0.0745","","","","","","0.9848","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336242","9.824","0.002","15.179","0.003","23.333","0.006","90","","90","","90","","3479.4","1.3","90","2","90","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C36 H31 B Cl F4 N2 O2 P Ru S -","- C36 H31 B Cl F4 N2 O2 P Ru S -","- C144 H124 B4 Cl4 F16 N8 O8 P4 Ru4 S4 -","4","1","","Margarita A. Gonzalez; Samantha J. Carrington; Indranil Chakraborty; Marilyn M. Olmstead; Pradip K. Mascharak","Photoactivity of Mono- and Dicarbonyl Complexes of Ruthenium(II) Bearing an N,N,S-Donor Ligand: Role of Ancillary Ligands on the Capacity of CO Photorelease","Inorganic Chemistry","2013","52","","11320","11331","10.1021/ic4016004","","","0.71073","MoKα","","0.0321","0.0291","","","0.0689","0.0711","","","","","","1.149","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336304","9.0024","0.001","16.1231","0.0017","18.953","0.002","90","","90","","90","","2751","0.5","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 Cl3 Ga N -","- C27 H43 Cl3 Ga N -","- C108 H172 Cl12 Ga4 N4 -","4","1","","Ahmad El-Hellani; Julien Monot; Shun Tang; Régis Guillot; Christophe Bour; Vincent Gandon","Relationship between Gallium Pyramidalization in L.GaCl3 Complexes and the Electronic Ligand Properties","Inorganic Chemistry","2013","52","","11493","11502","10.1021/ic401817g","","x-ray","0.71073","MoKα","","0.0852","0.051","","","0.1048","0.119","","","","","","0.965","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336308","9.2801","0.0003","9.5188","0.0003","25.2707","0.0009","90","","90","","90","","2232.3","0.13","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl3 Ga N -","- C20 H31 Cl3 Ga N -","- C80 H124 Cl12 Ga4 N4 -","4","1","","Ahmad El-Hellani; Julien Monot; Shun Tang; Régis Guillot; Christophe Bour; Vincent Gandon","Relationship between Gallium Pyramidalization in L.GaCl3 Complexes and the Electronic Ligand Properties","Inorganic Chemistry","2013","52","","11493","11502","10.1021/ic401817g","","x-ray","0.71073","MoKα","","0.0523","0.0456","","","0.1212","0.1234","","","","","","1.075","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336336","13.319","0.003","13.324","0.003","23.314","0.006","90","","90","","90","","4137.4","1.7","104","2","104","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Cl Co N P2 -","- C16 H36 Cl Co N P2 -","- C128 H288 Cl8 Co8 N8 P16 -","8","2","","Sergio S. Rozenel; Rosa Padilla; John Arnold","Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand","Inorganic Chemistry","2013","52","","11544","11550","10.1021/ic4018882","","","0.71073","MoKα","","0.0515","0.043","","","0.0743","0.0763","","","","","","1.112","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336464","8.545","0.0009","18.3095","0.0019","22.353","0.002","90","","90","","90","","3497.2","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H55 O P2 Rh Si -","- C33 H55 O P2 Rh Si -","- C132 H220 O4 P8 Rh4 Si4 -","4","1","","Miguel A. Esteruelas; Montserrat Oliván; Andrea Vélez","POP-Pincer Silyl Complexes of Group 9: Rhodium versus Iridium","Inorganic Chemistry","2013","52","","12108","12119","10.1021/ic401931y","","","0.71073","MoKα","","0.0524","0.0337","","","0.0626","0.0665","","","","","","0.955","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336519","12.6435","0.0006","12.6465","0.0006","13.044","0.0006","90","","90","","90","","2085.68","0.17","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O2 Pt -","- C24 H27 N O2 Pt -","- C96 H108 N4 O8 Pt4 -","4","1","","Alberto Bossi; Andreas F. Rausch; Markus J. Leitl; Rafał Czerwieniec; Matthew T. Whited; Peter I. Djurovich; Hartmut Yersin; Mark E. Thompson","Photophysical Properties of Cyclometalated Pt(II) Complexes: Counterintuitive Blue Shift in Emission with an Expanded Ligand π System","Inorganic Chemistry","2013","52","","12403","12415","10.1021/ic4011532","","","0.71073","MoKα","","0.0288","0.0245","","","0.0464","0.0477","","","","","","1.004","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336550","10.696","0.003","15.383","0.004","18.385","0.007","90","","90","","90","","3025","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40.8 Ho N9 O10.4 -","- C26 H40 Ho N9 O10.354 -","- C104 H160 Ho4 N36 O41.416 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0351","0.0283","","","0.0485","0.0496","","","","","","1.004","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336551","10.673","0.003","15.323","0.006","18.406","0.006","90","","90","","90","","3010.2","1.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40.6 Er N9 O10.3 -","- C26 H40 Er N9 O10.257 -","- C104 H160 Er4 N36 O41.028 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0325","0.0262","","","0.0489","0.0499","","","","","","1.004","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336552","10.692","0.003","12.469","0.003","24.045","0.006","90","","90","","90","","3205.6","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 N9 O12 Tm -","- C26 H44 N9 O12 Tm -","- C104 H176 N36 O48 Tm4 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0171","0.0157","","","0.0357","0.036","","","","","","1.014","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336553","10.69","0.003","12.451","0.003","24.008","0.004","90","","90","","90","","3195.5","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 Lu N9 O12 -","- C26 H44 Lu N9 O12 -","- C104 H176 Lu4 N36 O48 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0163","0.0152","","","0.0357","0.0359","","","","","","1.026","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336554","8.138","0.002","16.612","0.003","23.266","0.005","90","","90","","90","","3145.3","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 Cl3 N6 O4 Y -","- C27 H48 Cl3 N6 O4 Y -","- C108 H192 Cl12 N24 O16 Y4 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0495","0.0311","","","0.0528","0.0546","","","","","","1.007","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336555","7.969","0.002","18.679","0.005","20.558","0.005","90","","90","","90","","3060.1","1.3","102","2","102","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Cl3 N7 O Yb -","- C28 H43 Cl3 N7 O Yb -","- C112 H172 Cl12 N28 O4 Yb4 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0282","0.0252","","","0.056","0.0566","","","","","","1.006","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336705","14.39","0.0008","16.143","0.0009","23.611","0.003","90","","90","","90","","5484.8","0.8","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H55 Cd4 N7 O14 -","- C53 H53 Cd4 N7 O14 -","- C212 H212 Cd16 N28 O56 -","4","1","","Femke F. B. J. Janssen; Laurens C. J. M. Peters; Paul P. J. Schlebos; Jan M. M. Smits; René de Gelder; Alan E. Rowan","Uncorrelated Dynamical Processes in Tetranuclear Carboxylate Clusters Studied by Variable-Temperature 1H NMR Spectroscopy.","Inorganic Chemistry","2013","52","","13004","13013","10.1021/ic401522v","","","0.71073","MoKα","","0.1","0.0504","","0.0809","0.0706","0.0809","","","1.092","","","1.092","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336726","13.0205","0.0005","22.8391","0.0009","26.1866","0.001","90","","90","","90","","7787.3","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C78 H92 Cl Dy3 N8 Ni2 O18 -","- C78 H92 Cl Dy3 N8 Ni2 O18 -","- C312 H368 Cl4 Dy12 N32 Ni8 O72 -","4","1","","Vadapalli Chandrasekhar; Prasenjit Bag; Wolfgang Kroener; Klaus Gieb; Paul Müller","Pentanuclear Heterometallic {Ni2Ln3} (Ln = Gd, Dy, Tb, Ho) Assemblies. Single-Molecule Magnet Behavior and Multistep Relaxation in the Dysprosium Derivative","Inorganic Chemistry","2013","52","","13078","13086","10.1021/ic4019025","","","0.71073","MoKα","","0.0685","0.0505","","","0.1212","0.1364","","","","","","1.055","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336727","13.0447","0.0009","26.2289","0.0019","22.8835","0.0017","90","","90","","90","","7829.5","1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C79 H98 Cl Gd3 N8 Ni2 O20 -","- C79 H98 Cl Gd3 N8 Ni2 O20 -","- C316 H392 Cl4 Gd12 N32 Ni8 O80 -","4","1","","Vadapalli Chandrasekhar; Prasenjit Bag; Wolfgang Kroener; Klaus Gieb; Paul Müller","Pentanuclear Heterometallic {Ni2Ln3} (Ln = Gd, Dy, Tb, Ho) Assemblies. Single-Molecule Magnet Behavior and Multistep Relaxation in the Dysprosium Derivative","Inorganic Chemistry","2013","52","","13078","13086","10.1021/ic4019025","","","0.71073","MoKα","","0.0966","0.0586","","","0.1244","0.1526","","","","","","0.996","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336736","6.7596","0.0014","8.8699","0.0018","15.191","0.003","90","","90","","90","","910.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 Cl Cs O5 -","- C5 H10 Cl Cs O5 -","- C20 H40 Cl4 Cs4 O20 -","4","1","","Haijian Hu; Junhui Xue; Xiaodong Wen; Weihong Li; Chao Zhang; Limin Yang; Yizhuang Xu; Guozhong Zhao; Xiaoxia Bu; Kexin Liu; Jia'er Chen; Jinguang Wu","Sugar-Metal Ion Interactions: The Complicated Coordination Structures of Cesium Ion with d-Ribose and myo-Inositol","Inorganic Chemistry","2013","52","","13132","13145","10.1021/ic402027j","","","0.71073","MoKα","","0.0253","0.025","","","0.0644","0.0645","","","","","","1.129","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336806","15.704","0.002","22.666","0.003","24.826","0.004","90","","90","","90","","8837","2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","difluoromethylcobalamin","","- C72.5 H121.25 Co F2 N13 O25.5 P -","- C72.6 H121.2 Co F2 N13 O25.4 P -","- C290.4 H484.8 Co4 F8 N52 O101.6 P4 -","4","1","","Lucio Randaccio; Giovanna Brancatelli; Nicola Demitri; Renata Dreos; Neal Hickey; Patrizia Siega; Silvano Geremia","Trans and Cis Effects of Axial Fluoroalkyl Ligands in Vitamin B12 Analogues: Relationship between Alkyl- and Fluoroalkyl-Cobalamins","Inorganic Chemistry","2013","52","","13392","13401","10.1021/ic401715e","","","0.6","","","0.067","0.0615","","","0.1735","0.1784","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336807","15.56","0.0003","22.59","0.0008","24.97","0.0007","90","","90","","90","","8777","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","trifluoromethyl-cobalamine","","- C67.46 H97 Co F2.79 I0.07 N13 O23.85 P -","- C67.43 H95 Co F2.79 I0.07 N13 O23.85 P -","- C269.72 H380 Co4 F11.16 I0.28 N52 O95.4 P4 -","4","1","","Lucio Randaccio; Giovanna Brancatelli; Nicola Demitri; Renata Dreos; Neal Hickey; Patrizia Siega; Silvano Geremia","Trans and Cis Effects of Axial Fluoroalkyl Ligands in Vitamin B12 Analogues: Relationship between Alkyl- and Fluoroalkyl-Cobalamins","Inorganic Chemistry","2013","52","","13392","13401","10.1021/ic401715e","","","0.7","","","0.0761","0.0702","","","0.1823","0.1876","","","","","","1.033","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336808","15.75","0.01","22.26","0.01","25.99","0.02","90","","90","","90","","9112","10","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","trifluoroethylcobalamin","","- C65 H94 Co F3 N13 O28 P -","- C65 H94 Co F3 N13 O27.9 P -","- C260 H376 Co4 F12 N52 O111.6 P4 -","4","1","","Lucio Randaccio; Giovanna Brancatelli; Nicola Demitri; Renata Dreos; Neal Hickey; Patrizia Siega; Silvano Geremia","Trans and Cis Effects of Axial Fluoroalkyl Ligands in Vitamin B12 Analogues: Relationship between Alkyl- and Fluoroalkyl-Cobalamins","Inorganic Chemistry","2013","52","","13392","13401","10.1021/ic401715e","","","0.77491","","","0.096","0.0935","","","0.25","0.2563","","","","","","1.152","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336810","10.922","0.004","13.899","0.005","21.348","0.008","90","","90","","90","","3241","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 Ge2 N4 O -","- C30 H46 Ge2 N4 O -","- C120 H184 Ge8 N16 O4 -","4","1","","Rahul Kumar Siwatch; Dhirendra Yadav; Goutam Mukherjee; Gopalan Rajaraman; Selvarajan Nagendran","Digermylene Oxide Complexes: Facile Synthesis and Reactivity","Inorganic Chemistry","2013","52","","13384","13391","10.1021/ic401720e","","","0.71073","MoKα","","0.133","0.0656","","","0.1217","0.1418","","","","","","0.938","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336890","6.9375","0.0014","16.215","0.003","18.765","0.004","90","","90","","90","","2110.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ce2 Na10 O24 P6 -","- Ce2 Na10 O24 P6 -","- Ce8 Na40 O96 P24 -","4","1","","Yu-Hsien Lai; Yu-Chih Chang; Tsz-Fung Wong; Wan-Ju Tai; Wen-Jung Chang; Kwang-Hwa Lii","High-Temperature, High-Pressure Hydrothermal Synthesis, Crystal Structures, and Spectroscopic Studies of a Uranium(IV) Phosphate (Na10U2P6O24) and the Isotypic Cerium(IV) Phosphate (Na10Ce2P6O24)","Inorganic Chemistry","2013","52","","13639","13643","10.1021/ic402208s","","","0.71073","MoKα","","0.0209","0.0202","","","0.0507","0.0529","","","","","","1.072","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336943","11.1003","0.0002","21.0919","0.0005","40.3401","0.0008","90","0.003","90","0.004","90","0.004","9444.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H104 Fe7 O62.5 -","- C42 H63 Fe7 O62.5 -","- C168 H252 Fe28 O250 -","4","1","","M. Menelaou; E. Vournari; V. Psycharis; C. P. Raptopoulou; A. Terzis; V. Tangoulis; Y. Sanakis; C. Mateescu; A. Salifoglou","Heptanuclear Antiferromagnetic Fe(III)-d-(-)-Quinato Assemblies with an S= 3/2 Ground State-pH-Specific Synthetic Chemistry, Spectroscopic, Structural, and Magnetic Susceptibility Studies","Inorganic Chemistry","2013","52","","13849","13860","10.1021/ic401036e","","","0.71073","MoKα","","0.0548","0.049","","","0.1435","0.1491","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337091","11.9104","0.0006","12.1992","0.0006","13.8206","0.0006","90","","90","","90","","2008.1","0.17","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 Pt -","- C24 H20 N2 O2 Pt -","- C96 H80 N8 O8 Pt4 -","4","1","","Li, Hui; Li, Jing; Ding, Junqiao; Yuan, Wei; Zhang, Zilong; Zou, Luyi; Wang, Xingdong; Zhan, Hongmei; Xie, Zhiyuan; Cheng, Yanxiang; Wang, Lixiang","Design, Synthesis, and Optoelectronic Properties of Dendrimeric Pt(II) Complexes and Their Ability to Inhibit Intermolecular Interaction.","Inorganic chemistry","2014","53","2","810","821","10.1021/ic402099x","","","0.71073","MoKα","","0.0474","0.0467","","","0.1138","0.1145","","","","","","1.014","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337151","8.525","0.0006","13.383","0.0012","20.7498","0.0017","90","","90","","90","","2367.3","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Cl3 N2 O2 Ru -","- C23 H25 Cl3 N2 O2 Ru -","- C92 H100 Cl12 N8 O8 Ru4 -","4","1","","Almodares, Zahra; Lucas, Stephanie J.; Crossley, Benjamin D.; Basri, Aida M.; Pask, Christopher M.; Hebden, Andrew J.; Phillips, Roger M.; McGowan, Patrick C.","Rhodium, iridium, and ruthenium half-sandwich picolinamide complexes as anticancer agents.","Inorganic chemistry","2014","53","2","727","736","10.1021/ic401529u","","","0.71073","MoKα","","0.0236","0.0213","","","0.044","0.045","","","","","","1.041","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337182","10.652","0.003","12.276","0.004","23.675","0.007","90","","90","","90","","3095.8","1.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H47 Cl O2 P2 Ru S -","- C29 H47 Cl O2 P2 Ru S -","- C116 H188 Cl4 O8 P8 Ru4 S4 -","4","1","","Alós, Joaquín; Bolaño, Tamara; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","POP-Pincer Ruthenium Complexes: d(6) Counterparts of Osmium d(4) Species.","Inorganic chemistry","2014","53","2","1195","1209","10.1021/ic402795g","","","0.71073","MoKα","","0.0636","0.0447","","","0.0807","0.0857","","","","","","0.988","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337183","11.3942","0.0008","12.0436","0.0009","22.0937","0.0016","90","","90","","90","","3031.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H48 O2 P2 Ru S -","- C29 H48 O2 P2 Ru S -","- C116 H192 O8 P8 Ru4 S4 -","4","1","","Alós, Joaquín; Bolaño, Tamara; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","POP-Pincer Ruthenium Complexes: d(6) Counterparts of Osmium d(4) Species.","Inorganic chemistry","2014","53","2","1195","1209","10.1021/ic402795g","","","0.71073","MoKα","","0.0475","0.0371","","","0.0792","0.0847","","","","","","1.074","","","","has coordinates","179474","2020-10-21","18:00:00",""
"4337300","10.7276","0.0005","15.8243","0.0007","17.8958","0.0008","90","","90","","90","","3037.9","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Er N6 O13 Zn -","- C25 H37 Er N6 O13 Zn -","- C100 H148 Er4 N24 O52 Zn4 -","4","1","","Palacios, María A; Titos-Padilla, Silvia; Ruiz, José; Herrera, Juan Manuel; Pope, Simon J. A.; Brechin, Euan K.; Colacio, Enrique","Bifunctional Zn(II)Ln(III) Dinuclear Complexes Combining Field Induced SMM Behavior and Luminescence: Enhanced NIR Lanthanide Emission by 9-Anthracene Carboxylate Bridging Ligands.","Inorganic chemistry","2014","53","3","1465","1474","10.1021/ic402597s","","","0.71073","MoKα","","0.0272","0.0253","","","0.0609","0.0627","","","","","","0.823","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337351","6.5802","0.0003","14.2081","0.0014","16.4891","0.0008","90","","90","","90","","1541.6","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cl3 N2 O2 Os -","- C12 H16 Cl3 N2 O2 Os -","- C48 H64 Cl12 N8 O8 Os4 -","4","1","","Tory, Joanne; King, Lisa; Maroulis, Antonios; Haukka, Matti; Calhorda, Maria José; Hartl, František","Solvent-Dependent Formation of Os(0) Complexes by Electrochemical Reduction of [Os(CO)(2,2'-bipyridine)(L)Cl2]; L = Cl(-), PrCN.","Inorganic chemistry","2014","53","3","1382","1396","10.1021/ic402146t","","","0.71073","MoKα","","0.0205","0.0168","","","0.0284","0.0292","","","","","","1.007","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337395","9.3435","0.0009","13.9117","0.0019","25.887","0.003","90","","90","","90","","3364.9","0.7","213","2","213","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","tetrakis(trimethylphosphine)-copper(+1)-1,2-dithiolatoethane -di(propan-2-ido)-aluminate(+3)","","- C20 H54 Al Cu P4 S2 -","- C20 H54 Al Cu P4 S2 -","- C80 H216 Al4 Cu4 P16 S8 -","4","1","","Kischel, Marcus; Dornberg, Gregor; Krautscheid, Harald","Trialkylphosphine-Stabilized Copper(I) Dialkylaluminum(III) Ethanedithiolate Complexes: Single-Source Precursors and a Novel Modification of Copper Aluminum Disulfide.","Inorganic chemistry","2014","53","3","1614","1623","10.1021/ic402675w","","","0.71073","MoKα","","0.1178","0.0803","","","0.1901","0.2035","","","","","","0.872","","","","has coordinates","179476","2020-10-21","18:00:00",""
"4337409","9.383","0.0003","12.5151","0.0005","34.5743","0.0013","90","","90","","90","","4060","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H66 N2 O Si2 Yb -","- C38 H66 N2 O Si2 Yb -","- C152 H264 N8 O4 Si8 Yb4 -","4","1","","Basalov, Ivan V.; Roşca, Sorin Claudiu; Lyubov, Dmitry M.; Selikhov, Alexander N.; Fukin, Georgy K.; Sarazin, Yann; Carpentier, Jean-François; Trifonov, Alexander A.","Divalent heteroleptic ytterbium complexes - effective catalysts for intermolecular styrene hydrophosphination and hydroamination.","Inorganic chemistry","2014","53","3","1654","1661","10.1021/ic4027859","","","0.71073","MoKα","","0.0448","0.0356","","","0.0725","0.0749","","","","","","1.039","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337429","15.4041","0.0004","26.9046","0.0007","32.7428","0.0008","90","","90","","90","","13570","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 N4 O Yb -","- C36 H48 N4 O Yb -","- C576 H768 N64 O16 Yb16 -","16","4","","Tolpygin, Aleksei O.; Cherkasov, Anton V.; Fukin, Georgii K.; Trifonov, Alexander A.","Reversible Switching of Coordination Mode of ansa bis(Amidinate) Ligand in Ytterbium Complexes Driven by Oxidation State of the Metal Atom.","Inorganic chemistry","2014","53","3","1537","1543","10.1021/ic402530w","","","0.71073","MoKα","","0.0606","0.046","","","0.0939","0.099","","","","","","1.021","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337448","7.9385","0.0002","11.0586","0.0002","29.8637","0.0007","90","","90","","90","","2621.7","0.1","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 F N2 P Pd -","- C30 H34 F N2 P Pd -","- C120 H136 F4 N8 P4 Pd4 -","4","1","","Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi","Room temperature rapid functionalization of E-H bonds (E = O, N, S) via the metal-ligand cooperation mechanism.","Inorganic chemistry","2014","53","1","12","14","10.1021/ic402315a","","","0.71073","MoKα","","0.0235","0.0219","","","0.0508","0.0513","","","","","","1.004","","","","has coordinates","179477","2020-10-21","18:00:00",""
"4337535","15.387","0.002","16.533","0.002","18.915","0.003","90","","90","","90","","4811.8","1.1","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H76 N O5 Yb -","- C49 H76 N O5 Yb -","- C196 H304 N4 O20 Yb4 -","4","1","","Yang, Sheng; Nie, Kun; Zhang, Yong; Xue, Mingqiang; Yao, Yingming; Shen, Qi","New [ONOO]-type amine bis(phenolate) ytterbium(II) and -(III) complexes: synthesis, structure, and catalysis for highly heteroselective polymerization of rac-lactide.","Inorganic chemistry","2014","53","1","105","115","10.1021/ic401747n","","","0.71075","MoKα","","0.0483","0.0427","","","0.0815","0.0843","","","","","","1.077","","","","has coordinates","179478","2020-10-21","18:00:00",""
"4337565","20.3501","0.001","26.4964","0.0015","26.964","0.0019","90","","90","","90","","14539.1","1.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","8","P 21 21 21","P 2ac 2ab","19","","tetra(N""-(2,2'-bipyridinetricarbony-rhenium(I))-N,N'-diphenyl- isonicotamidate)(acetonitrile)dirhodium(II) tetrakis(hexafluorophospate), acetonitrile disolvate","","- C130 H97 F24 N23 O12 P4 Re4 Rh2 -","- C130 H97 F24 N23 O12 P4 Re4 Rh2 -","- C520 H388 F96 N92 O48 P16 Re16 Rh8 -","4","1","","Chartrand, Daniel; Hanan, Garry S.","Rhodium amidinate dimers as structural and functional hubs for multimetallic assemblies.","Inorganic chemistry","2014","53","1","624","636","10.1021/ic4024585","","","1.54178","CuKα","","0.1374","0.1087","","","0.2779","0.303","","","","","","1.126","","","","has coordinates,has disorder","179478","2020-10-21","18:00:00",""
"4337732","9.7911","0.0003","11.4573","0.0007","40.34","0.003","90","","90","","90","","4525.3","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H59 Cl Co N6 O -","- C48 H59 Cl Co N6 O -","- C192 H236 Cl4 Co4 N24 O4 -","4","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.0446","0.0341","","","0.0745","0.078","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337738","11.0606","0.0008","26.262","0.002","28.395","0.002","90","","90","","90","","8248","1","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C90 H96 Mn N2 O3 P2 -","- C90 H96 Mn N2 O3 P2 -","- C360 H384 Mn4 N8 O12 P8 -","4","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.1033","0.0963","","","0.2314","0.2357","","","","","","1.142","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337739","11.0427","0.0008","26.2778","0.0019","28.351","0.002","90","","90","","90","","8226.8","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C100 H112 Fe N2 O5 P2 -","- C100 H112 Fe N2 O5 P2 -","- C400 H448 Fe4 N8 O20 P8 -","4","1","","Käß, Martina; Hohenberger, Johannes; Adelhardt, Mario; Zolnhofer, Eva M.; Mossin, Susanne; Heinemann, Frank W.; Sutter, Jörg; Meyer, Karsten","Synthesis and characterization of divalent manganese, iron, and cobalt complexes in tripodal phenolate/n-heterocyclic carbene ligand environments.","Inorganic chemistry","2014","53","5","2460","2470","10.1021/ic4024053","","","0.71073","MoKα","","0.057","0.0467","","","0.1185","0.1258","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337748","8.6937","0.0008","13.8069","0.0012","22.711","0.002","90","","90","","90","","2726.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrabutylammonium trichlorido-L-valinato-nitrosyl-ruthenate(III)","","- C21 H46 Cl3 N3 O3 Ru -","- C21 H46 Cl3 N3 O3 Ru -","- C84 H184 Cl12 N12 O12 Ru4 -","4","1","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0751","0.0634","","","0.1565","0.1656","","","","","","1.092","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337749","10.2263","0.0004","15.6517","0.0006","17.9281","0.0007","90","","90","","90","","2869.55","0.19","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrabutylammonium trichlorido-L-prolinato-nitrosyl-ruthenate(III)","","- C21 H44 Cl3 N3 O3 Ru -","- C21 H44 Cl3 N3 O3 Ru -","- C84 H176 Cl12 N12 O12 Ru4 -","4","1","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0153","0.0147","","","0.0412","0.0418","","","","","","1.025","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337750","10.1919","0.0019","15.628","0.003","17.93","0.004","90","","90","","90","","2855.9","1","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrabutylammonium trichlorido-D-prolinato-nitrosyl-ruthenate(III)","","- C21 H44 Cl3 N3 O3 Ru -","- C21 H44 Cl3 N3 O3 Ru -","- C84 H176 Cl12 N12 O12 Ru4 -","4","1","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0971","0.0539","","","0.1131","0.1326","","","","","","1.01","","","","has coordinates","179480","2020-10-21","18:00:00",""
"4337753","9.9542","0.0003","17.118","0.0006","17.8215","0.0006","90","","90","","90","","3036.71","0.17","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrabutylammonium trichlorido-L-tyrosinato-nitrosyl-ruthenate(III)","","- C25 H46 Cl3 N3 O4 Ru -","- C25 H46 Cl3 N3 O4 Ru -","- C100 H184 Cl12 N12 O16 Ru4 -","4","1","","Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.","Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.","Inorganic chemistry","2014","53","5","2718","2729","10.1021/ic4031359","","","0.71073","MoKα","","0.0362","0.0318","","","0.0786","0.0816","","","","","","1.003","","","","has coordinates,has disorder","179480","2020-10-21","18:00:00",""
"4337810","12.172","0.002","16.5748","0.001","26.694","0.003","90","","90","","90","","5385.5","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H60 La N3 O21 P6 -","- C36 H60 La N3 O21 P6 -","- C144 H240 La4 N12 O84 P24 -","4","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0488","0.0335","","","0.0695","0.0747","","","","","","1.066","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337811","12.1705","0.0008","16.5077","0.0012","26.6601","0.0017","90","","90","","90","","5356.2","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H60 N3 O21 P6 Pr -","- C36 H60 N3 O21 P6 Pr -","- C144 H240 N12 O84 P24 Pr4 -","4","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0295","0.0264","","","0.0653","0.0663","","","","","","1.019","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337812","12.1304","0.0008","16.5237","0.001","26.6343","0.0018","90","","90","","90","","5338.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H60 N3 Nd O21 P6 -","- C36 H60 N3 Nd O21 P6 -","- C144 H240 N12 Nd4 O84 P24 -","4","1","","Maxim, Catalin; Branzea, Diana G.; Tiseanu, Carmen; Rouzières, Mathieu; Clérac, Rodolphe; Andruh, Marius; Avarvari, Narcis","Cyanomethylene-bis(phosphonate)-Based Lanthanide Complexes: Structural, Photophysical, and Magnetic Investigations.","Inorganic chemistry","2014","53","5","2708","2717","10.1021/ic403104y","","","0.71073","MoKα","","0.0352","0.0321","","","0.0797","0.0809","","","","","","1.013","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337839","8.2009","0.0006","10.6215","0.0007","12.1355","0.0009","90","","90","","90","","1057.07","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Au Cl N2 -","- C8 H14 Au Cl N2 -","- C32 H56 Au4 Cl4 N8 -","4","1","","Messori, Luigi; Marchetti, Lorella; Massai, Lara; Scaletti, Federica; Guerri, Annalisa; Landini, Ida; Nobili, Stefania; Perrone, Gabriele; Mini, Enrico; Leoni, Piero; Pasquali, Marco; Gabbiani, Chiara","Chemistry and biology of two novel gold(i) carbene complexes as prospective anticancer agents.","Inorganic chemistry","2014","53","5","2396","2403","10.1021/ic401731a","","x-ray","0.71073","MoKα","","0.0776","0.0709","","","0.1793","0.1863","","","","","","1.105","","","","has coordinates","179481","2020-10-21","18:00:00",""
"4337936","24.0164","0.0003","30.9323","0.0005","14.7456","0.0002","90","","90","","90","","10954.2","0.3","123","2","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C65 H0 N4 O40 Si V2 W10 -","- C65 N4 O40 Si V2 W10 -","- C260 N16 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Nakajima, Takahito; Mizuno, Noritaka","Effects of Heteroatoms on Electronic States of Divanadium-Substituted γ-Keggin-type Polyoxometalates.","Inorganic chemistry","2014","53","7","3907","","10.1021/ic5005209","","x-ray","0.71069","MoKα","","","0.0813","","","","0.2053","","","","","","1.079","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337956","10.6943","0.0017","11.6521","0.0019","12.834","0.002","90","","90","","90","","1599.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cu N6 O6 V2 -","- C8 H16 Cu N6 O6 V2 -","- C32 H64 Cu4 N24 O24 V8 -","4","1","","Dong, Huan; Hu, Hailiang; Liu, Yang; Zhong, Jun; Zhang, Guangju; Zhao, Fangfang; Sun, Xuhui; Li, Youyong; Kang, Zhenhui","Obtaining Chiral Metal-Organic Frameworks via a Prochirality Synthetic Strategy with Achiral Ligands Step-by-Step.","Inorganic chemistry","2014","53","7","3434","","10.1021/ic402867x","","","0.71073","MoKα","","0.0288","0.0241","","","0.0486","0.0501","","","","","","0.967","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337957","10.682","0.0007","11.6044","0.0007","12.6888","0.0008","90","","90","","90","","1572.88","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cu N6 O6 V2 -","- C8 H16 Cu N6 O6 V2 -","- C32 H64 Cu4 N24 O24 V8 -","4","1","","Dong, Huan; Hu, Hailiang; Liu, Yang; Zhong, Jun; Zhang, Guangju; Zhao, Fangfang; Sun, Xuhui; Li, Youyong; Kang, Zhenhui","Obtaining Chiral Metal-Organic Frameworks via a Prochirality Synthetic Strategy with Achiral Ligands Step-by-Step.","Inorganic chemistry","2014","53","7","3434","","10.1021/ic402867x","","","0.71073","MoKα","","0.0173","0.0161","","","0.0396","0.0399","","","","","","1.011","","","","has coordinates","179482","2020-10-21","18:00:00",""
"4337986","15.0299","0.0004","21.7036","0.0007","24.4704","0.0006","90","","90","","90","","7982.3","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C65 H97 F N2 O19 P4 S3 Zn4 -","- C65 H97 F N2 O19 P4 S3 Zn4 -","- C260 H388 F4 N8 O76 P16 S12 Zn16 -","4","1","","Kalita, Alok Ch; Murugavel, Ramaswamy","Fluoride Ion Sensing and Caging by a Preformed Molecular D4R Zinc Phosphate Heterocubane.","Inorganic chemistry","2014","53","7","3345","","10.1021/ic500193n","","","0.71073","MoKα","","0.0835","0.0423","","","0.0789","0.0842","","","","","","0.822","","","","has coordinates,has disorder","179482","2020-10-21","18:00:00",""
"4338041","10.7318","0.0001","15.8327","0.0001","17.8712","0.0001","90","","90","","90","","3036.56","0.04","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N6 O13 Yb Zn -","- C25 H37 N6 O13 Yb Zn -","- C100 H148 N24 O52 Yb4 Zn4 -","4","1","","Ruiz, José; Lorusso, Giulia; Evangelisti, Marco; Brechin, Euan K.; Pope, Simon J. A.; Colacio, Enrique","Closely-Related Zn(II)2Ln(III)2 Complexes (Ln(III) = Gd, Yb) with Either Magnetic Refrigerant or Luminescent Single-Molecule Magnet Properties.","Inorganic chemistry","2014","53","7","3586","","10.1021/ic403097s","","","0.71073","MoKα","","0.0177","0.017","","","0.0364","0.0367","","","","","","1.035","","","","has coordinates","179483","2020-10-21","18:00:00",""
"4338128","12.2583","0.0003","13.5867","0.0003","16.9143","0.0004","90","","90","","90","","2817.07","0.11","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Cl2 Hg N O10 S3 -","- C25 H27 Cl2 Hg N O10 S3 -","- C100 H108 Cl8 Hg4 N4 O40 S12 -","4","1","","Lee, Hyeong-Hwan; Park, In-Hyeok; Lee, Shim Sung","Cooperative Effect of Anion and Mole Ratio on the Coordination Modes of an NO2S3-Donor Macrocycle.","Inorganic chemistry","2014","53","9","4763","4769","10.1021/ic500594f","","","0.71073","MoKα","","0.0358","0.0307","","","0.0568","0.0585","","","","","","0.825","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338140","11.4391","0.0006","24.1395","0.0011","33.9535","0.0016","90","","90","","90","","9375.7","0.8","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O14 Ru5 Se -","- C22 H21 N O14 Ru5 Se -","- C264 H252 N12 O168 Ru60 Se12 -","12","3","","Shieh, Minghuey; Chu, Yen-Yi; Jang, Li-Fing; Ho, Chia-Hua","CO and CO2 Fixation by Se-Ru-CO Hydride Clusters.","Inorganic chemistry","2014","53","9","4284","4286","10.1021/ic500821z","","","0.71073","MoKα","","0.0531","0.0449","","","0.1125","0.1185","","","","","","1.045","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338175","14.397","0.0008","18.6453","0.0011","27.3658","0.0015","90","","90","","90","","7346","0.7","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C69 H68 Ag2 Au Cl3 N2 O13 P6 -","- C69 H68 Ag2 Au Cl3 N2 O13 P6 -","- C276 H272 Ag8 Au4 Cl12 N8 O52 P24 -","4","1","","Dau, Minh Thuy; Shakirova, Julia R.; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Melnikov, Alexey S.; Pakkanen, Tapani A.; Koshevoy, Igor O.","Coinage metal complexes supported by the tri- and tetraphosphine ligands.","Inorganic chemistry","2014","53","9","4705","4715","10.1021/ic500402m","","","0.71073","MoKα","","0.0528","0.045","","","0.1169","0.1209","","","","","","1.042","","","","has coordinates,has disorder","179484","2020-10-21","18:00:00",""
"4338188","18.537","0.003","28.794","0.004","31.529","0.005","90","","90","","90","","16829","4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C144 H204 B8 Cu4 F32 N32 O26 -","- C144 H184 B8 Cu4 F32 N32 O26 -","- C576 H736 B32 Cu16 F128 N128 O104 -","4","1","","Madalan, Augustin M.; Cao, Xiao-Yu; Rogez, Guillaume; Lehn, Jean-Marie","Ferromagnetic Coupling in Copper(II) [2 ×2] Grid-like Complexes.","Inorganic chemistry","2014","53","9","4275","4277","10.1021/ic500285m","","","0.71073","MoKα","","0.1535","0.0817","","","0.2003","0.2339","","","","","","1.018","","","","has coordinates","179484","2020-10-21","18:00:00",""
"4338200","8.9533","0.0004","16.5012","0.0008","23.485","0.0011","90","","90","","90","","3469.7","0.3","186","2","186","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 Fe K N7 O -","- C36 H49 Fe K N7 O -","- C144 H196 Fe4 K4 N28 O4 -","4","1","","Matson, Ellen M.; Bertke, Jeffrey A.; Fout, Alison R.","Isolation of Iron(II) Aqua and Hydroxyl Complexes Featuring a Tripodal H-bond Donor and Acceptor Ligand.","Inorganic chemistry","2014","53","9","4450","4458","10.1021/ic500102c","","","0.71073","MoKα","","0.0459","0.0374","","","0.0883","0.0937","","","","","","1.044","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338201","10.6938","0.0011","16.2327","0.0016","27.59","0.003","90","","90","","90","","4789.3","0.9","176","2","176","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H59 F6 Fe N7 O7 S2 -","- C42 H59 F6 Fe N7 O7 S2 -","- C168 H236 F24 Fe4 N28 O28 S8 -","4","1","","Matson, Ellen M.; Bertke, Jeffrey A.; Fout, Alison R.","Isolation of Iron(II) Aqua and Hydroxyl Complexes Featuring a Tripodal H-bond Donor and Acceptor Ligand.","Inorganic chemistry","2014","53","9","4450","4458","10.1021/ic500102c","","","0.71073","MoKα","","0.0391","0.0315","","","0.0714","0.075","","","","","","1.025","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338209","11.114","0.003","19.543","0.005","20.77","0.005","90","","90","","90","","4511","2","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H48 F6 N10 O12 Pt2 Rh2 -","- C26 H48 F6 N10 O12 Pt2 Rh2 -","- C104 H192 F24 N40 O48 Pt8 Rh8 -","4","1","","Uemura, Kazuhiro; Kanbara, Toru; Ebihara, Masahiro","Two types of heterometallic one-dimensional alignment composed of acetamidate-bridged dirhodium and pivalamidate-bridged diplatinum complexes.","Inorganic chemistry","2014","53","9","4621","4628","10.1021/ic500305n","","","0.7107","MoKα","","0.0924","0.0725","","","0.1529","0.1668","","","","","","1.071","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338245","10.9776","0.0015","10.9983","0.0015","32.06","0.004","90","","90","","90","","3870.8","0.9","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl8 Mg N6 P2 Sb2 -","- C18 H36 Cl8 Mg N6 P2 Sb2 -","- C72 H144 Cl32 Mg4 N24 P8 Sb8 -","4","1","","Chitnis, Saurabh S.; Burford, Neil; McDonald, Robert; Ferguson, Michael J.","Prototypical Phosphine Complexes of Antimony(III).","Inorganic chemistry","2014","53","10","5359","5372","10.1021/ic500723y","","","0.71073","MoKα","","0.0423","0.0367","","","0.0768","0.0797","","","","","","1.063","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338275","13.014","0.003","14.394","0.003","16.306","0.003","90","","90","","90","","3054.5","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Cu2 N6 O7 -","- C27 H34 Cu2 N6 O7 -","- C108 H136 Cu8 N24 O28 -","4","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.074","0.0641","","","0.1786","0.1936","","","","","","1.019","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338276","13.492","0.002","14.377","0.002","16.191","0.003","90","","90","","90","","3140.6","0.9","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Cu2 N6 O7 -","- C28 H36 Cu2 N6 O7 -","- C112 H144 Cu8 N24 O28 -","4","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0426","0.0363","","","0.0923","0.1","","","","","","1.014","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338277","13.4134","0.0005","14.0452","0.0006","16.3011","0.0008","90","","90","","90","","3071","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cu2 N6 O6 -","- C19 H24 Cu2 N6 O6 -","- C76 H96 Cu8 N24 O24 -","4","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0486","0.0467","","","0.1483","0.1514","","","","","","1.063","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338278","13.0844","0.0002","14.0741","0.0002","16.4507","0.0003","90","","90","","90","","3029.42","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cu2 N6 O6 -","- C19 H24 Cu2 N6 O6 -","- C76 H96 Cu8 N24 O24 -","4","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","1.54184","CuKα","","0.0623","0.0593","","","0.1798","0.1863","","","","","","1.021","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338280","13.041","0.003","14.411","0.004","16.307","0.004","90","","90","","90","","3064.6","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Cu2 N6 O7 -","- C27 H34 Cu2 N6 O7 -","- C108 H136 Cu8 N24 O28 -","4","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0515","0.0398","","","0.1007","0.1232","","","","","","1.035","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338281","13.504","0.004","14.375","0.004","16.193","0.005","90","","90","","90","","3143.4","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Cu2 N6 O7 -","- C28 H35 Cu2 N6 O7 -","- C112 H140 Cu8 N24 O28 -","4","1","","Lin, Lang; Yu, Rongmin; Wu, Xiao-Yuan; Yang, Wen-Bin; Zhang, Jian; Guo, Xiang-Guang; Lin, Zu-Jin; Lu, Can-Zhong","Enantioselective inclusion of alcohols by solvent-controlled assembled flexible metal-organic frameworks.","Inorganic chemistry","2014","53","10","4794","4796","10.1021/ic500436g","","","0.71073","MoKα","","0.0842","0.0754","","","0.2174","0.2261","","","","","","1.056","","","","has coordinates","179485","2020-10-21","18:00:00",""
"4338282","18.3309","0.0004","20.3938","0.0004","30.927","0.003","90","","90","","90","","11561.6","1.2","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H143 N6 O62 S2 V W17 -","- C62 H143 N6 O62 S2 V0.9981 W17.0019 -","- C248 H572 N24 O248 S8 V3.9924 W68.0076 -","4","1","","Ueda, Tadaharu; Ohnishi, Miho; Shiro, Motoo; Nambu, Jun-Ichi; Yonemura, Toshiaki; Boas, John F.; Bond, Alan M.","Synthesis and Characterization of Novel Wells-Dawson-Type Mono Vanadium(V)-Substituted Tungsto-polyoxometalate Isomers: 1- and 4-[S2VW17O62](5-).","Inorganic chemistry","2014","53","10","4891","4898","10.1021/ic402994q","","","0.71075","MoKα","","","0.0236","","","","0.04","","","","","","1.221","","","","has coordinates,has disorder","179485","2020-10-21","18:00:00",""
"4338332","12.1688","0.0004","25.226","0.0009","28.0399","0.001","90","","90","","90","","8607.4","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H42 Cu3 N12 O43 W12 -","- C60 H42 Cu3 N12 O43 W12 -","- C240 H168 Cu12 N48 O172 W48 -","4","1","","Chi, Ying-Nan; Shen, Pan-Pan; Cui, Feng-Yun; Lin, Zheng-Guo; Chen, Shi-Lu; Hu, Chang-Wen","Symmetry Breaking of α-[H2W12O40](6-) Depends on the Transformation of Isopolyoxotungstates.","Inorganic chemistry","2014","53","10","5029","5036","10.1021/ic500062j","","","0.71073","MoKα","","0.0383","0.0313","","","0.0802","0.1096","","","","","","1.158","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338333","12.145","0.002","25.16","0.005","28.001","0.005","90","","90","","90","","8556","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H49 Cu3 N12 O43 W12 -","- C60 H49 Cu3 N12 O43 W12 -","- C240 H196 Cu12 N48 O172 W48 -","4","1","","Chi, Ying-Nan; Shen, Pan-Pan; Cui, Feng-Yun; Lin, Zheng-Guo; Chen, Shi-Lu; Hu, Chang-Wen","Symmetry Breaking of α-[H2W12O40](6-) Depends on the Transformation of Isopolyoxotungstates.","Inorganic chemistry","2014","53","10","5029","5036","10.1021/ic500062j","","","0.71073","MoKα","","0.0504","0.0413","","","0.0933","0.098","","","","","","1.036","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338363","14.8563","0.0001","23.7771","0.0002","31.1135","0.0003","90","","90","","90","","10990.5","0.16","123","2","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C65 H0 N4 O40 Si V2 W10 -","- C65 N4 O40 Si V2 W10 -","- C260 N16 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Mizuno, Noritaka","Amphiprotic Properties of a Bis(μ-hydroxo)divanadium(IV)-Substituted γ-Keggin-Type Silicodecatungstate Containing Two Different Kinds of Hydroxyl Moieties.","Inorganic chemistry","2014","53","10","5341","5347","10.1021/ic500642v","","x-ray","0.71069","MoKα","","","0.0511","","","","0.1317","","","","","","1.052","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338366","14.8389","0.0001","24.4643","0.0002","31.198","0.0002","90","","90","","90","","11325.6","0.14","153","2","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C65 N4 O41 Si V2 W10 -","- C65 N4 O41 Si V2 W10 -","- C260 N16 O164 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Mizuno, Noritaka","Amphiprotic Properties of a Bis(μ-hydroxo)divanadium(IV)-Substituted γ-Keggin-Type Silicodecatungstate Containing Two Different Kinds of Hydroxyl Moieties.","Inorganic chemistry","2014","53","10","5341","5347","10.1021/ic500642v","","x-ray","0.71069","MoKα","","","0.0445","","","","0.1168","","","","","","1.083","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338367","14.5951","0.0002","18.049","0.0004","39.4695","0.0008","90","","90","","90","","10397.3","0.3","153","2","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C69 N5 O40 Si V2 W10 -","- C69 N5 O40 Si V2 W10 -","- C276 N20 O160 Si4 V8 W40 -","4","1","","Uehara, Kazuhiro; Miyachi, Takuya; Mizuno, Noritaka","Amphiprotic Properties of a Bis(μ-hydroxo)divanadium(IV)-Substituted γ-Keggin-Type Silicodecatungstate Containing Two Different Kinds of Hydroxyl Moieties.","Inorganic chemistry","2014","53","10","5341","5347","10.1021/ic500642v","","x-ray","0.71069","MoKα","","","0.0806","","","","0.2117","","","","","","1.105","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338391","12.2668","0.0002","12.9694","0.0002","25.5151","0.0004","90","","90","","90","","4059.27","0.11","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H61 Cl Fe N3 O2 -","- C40 H61 Cl Fe N3 O2 -","- C160 H244 Cl4 Fe4 N12 O8 -","4","1","","Chiang, Linus; Savard, Didier; Shimazaki, Yuichi; Thomas, Fabrice; Storr, Tim","Fe(III) Bipyrrolidine Phenoxide Complexes and Their Oxidized Analogues.","Inorganic chemistry","2014","53","11","5810","5819","10.1021/ic500663x","","","0.71073","MoKα","","0.0536","0.0427","","0.0481","0.0421","0.0416","","","","","","1.9384","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338393","14.399","0.002","24.101","0.004","26.777","0.004","90","","90","","90","","9292","2","90","0.1","90","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cl4 Fe N3 O -","- C30 H44 Cl4 Fe N3 O -","- C360 H528 Cl48 Fe12 N36 O12 -","12","3","","Chiang, Linus; Savard, Didier; Shimazaki, Yuichi; Thomas, Fabrice; Storr, Tim","Fe(III) Bipyrrolidine Phenoxide Complexes and Their Oxidized Analogues.","Inorganic chemistry","2014","53","11","5810","5819","10.1021/ic500663x","","","0.71073","MoKα","","0.1148","0.0514","","","0.1031","0.1269","","","","","","1.011","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338394","9.0064","0.0009","14.6395","0.0015","24.409","0.002","90","","90","","90","","3218.3","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cl4 Fe N3 O -","- C30 H44 Cl4 Fe N3 O -","- C120 H176 Cl16 Fe4 N12 O4 -","4","1","","Chiang, Linus; Savard, Didier; Shimazaki, Yuichi; Thomas, Fabrice; Storr, Tim","Fe(III) Bipyrrolidine Phenoxide Complexes and Their Oxidized Analogues.","Inorganic chemistry","2014","53","11","5810","5819","10.1021/ic500663x","","","0.71073","MoKα","","0.0361","0.0304","","","0.0736","0.0767","","","","","","1.055","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338397","8.8885","0.0014","13.849","0.002","17.692","0.003","90","","90","","90","","2177.8","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","12134","","","- C24 H24 Cl Cu N3 O -","- C24 H24 Cl Cu N3 O -","- C96 H96 Cl4 Cu4 N12 O4 -","4","1","","Boyce, David W.; Salmon, Debra J.; Tolman, William B.","Linkage Isomerism in Transition-Metal Complexes of Mixed (Arylcarboxamido)(arylimino)pyridine Ligands.","Inorganic chemistry","2014","53","11","5788","5796","10.1021/ic500638z","","","0.71073","MoKα","","0.0633","0.0405","","","0.079","0.0875","","","","","","1.025","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338427","12.5983","0.0009","13.494","0.0013","15.2415","0.0014","90","","90","","90","","2591.1","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Cl2 Cu2 N8 O12 -","- C14 H14 Cl2 Cu2 N8 O12 -","- C56 H56 Cl8 Cu8 N32 O48 -","4","1","","Castro, Isabel; Calatayud, M. Luisa; Barros, Wdeson P.; Carranza, José; Julve, Miguel; Lloret, Francesc; Marino, Nadia; De Munno, Giovanni","Ligand Effects on the Structure and Magnetic Properties of Alternating Copper(II) Chains with 2,2'-Bipyrimidine- and Polymethyl-Substituted Pyrazolates as Bridging Ligands.","Inorganic chemistry","2014","53","11","5759","5771","10.1021/ic500544n","","","0.71073","MoKα","","0.0423","0.0388","","","0.1166","0.1192","","","","","","1.052","","","","has coordinates,has disorder","179487","2020-10-21","18:00:00",""
"4338450","11.9681","0.0013","13.6395","0.0015","26.614","0.003","90","","90","","90","","4344.4","0.8","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H63 N O2 P S V -","- C45 H63 N O2 P S V -","- C180 H252 N4 O8 P4 S4 V4 -","4","1","","Taniyama, Nobuhiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Synthesis of V/Fe/S Clusters Using Vanadium(III) Thiolate Complexes Bearing a Phenoxide-Based Tridentate Ligand.","Inorganic chemistry","2014","53","11","5438","5446","10.1021/ic4030603","","","0.7107","MoKα","","","0.0457","","","","0.1056","","","","","","1.071","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338458","5.7594","0.0006","16.772","0.002","31.593","0.004","90","","90","","90","","3051.8","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H30 O2 P2 S -","- C38 H30 O2 P2 S -","- C152 H120 O8 P8 S4 -","4","1","","Rosario-Amorin, Daniel; Ouizem, Sabrina; Dickie, Diane A.; Paine, Robert T.; Cramer, Roger E.; Hay, Benjamin P.; Podair, Julien; Delmau, Lætitia H","Synthesis and lanthanide coordination chemistry of phosphine oxide decorated dibenzothiophene and dibenzothiophene sulfone platforms.","Inorganic chemistry","2014","53","11","5698","5711","10.1021/ic500471w","","","0.71073","MoKα","","0.1012","0.056","","","0.1046","0.1229","","","","","","1.004","","","","has coordinates","179487","2020-10-21","18:00:00",""
"4338540","6.991","0.005","9.738","0.005","32.511","0.005","90","","90","","90","","2213","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Thymidineiminodiacetato-O,O,N)dicarbonylnitrosylrhenium(I)","","- C18 H21 N4 O12 Re -","- C18 H21 N4 O12 Re -","- C72 H84 N16 O48 Re4 -","4","1","","Struthers, Harriet; Hagenbach, Adelheid; Abram, Ulrich; Schibli, Roger","Organometallic [Re(CO)3]+ and [Re(CO)2(NO)]2+ Labeled Substrates for Human Thymidine Kinase 1","Inorganic Chemistry","2009","48","12","5154","5163","10.1021/ic9000126","","","0.71069","MoKα","","0.0804","0.0538","","","0.1214","0.133","","","","","","0.998","","","","has coordinates","210071","2020-10-21","18:00:00",""
"4338578","10.667","0.0016","13.303","0.002","17.08","0.003","90","","90","","90","","2423.7","0.7","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cl3 N4 O Ti -","- C21 H29 Cl3 N4 O Ti -","- C84 H116 Cl12 N16 O4 Ti4 -","4","1","","Otero, Antonio; Fernández-Baeza, Juan; Tejeda, Juan; Lara-Sánchez, Agustín; Sánchez-Molina, Margarita; Franco, Sonia; López-Solera, Isabel; Rodríguez, Ana M; Sánchez-Barba, Luis F; Morante-Zarcero, Sonia; Garcés, Andrés","On the Search for NNO-Donor Enantiopure Scorpionate Ligands and Their Coordination to Group 4 Metals","Inorganic chemistry","2009","48","12","5540","5554","10.1021/ic900352e","","","0.71073","MoKα","","0.0755","0.0474","","","0.097","0.1105","","","","","","1.006","","","","has coordinates","210024","2020-10-21","18:00:00",""
"4338612","10.0117","0.0011","14.6223","0.0017","15.682","0.002","90","","90","","90","","2295.8","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H41 Li N4 -","- C21 H41 Li N4 -","- C84 H164 Li4 N16 -","4","1","","Clegg, William; Graham, David V.; Herd, Emma; Hevia, Eva; Kennedy, Alan R.; McCall, Matthew D.; Russo, Luca","Donor-Dictated Interlocking Co-Complexation Reactions of LiNHDipp with Dimethylzinc: Synthesis and Structures of New Methyl(amido)zincates","Inorganic Chemistry","2009","48","12","5320","5327","10.1021/ic900313b","","","0.71073","MoKα","","0.059","0.0467","","","0.1329","0.1454","","","","","","0.988","","","","has coordinates","210044","2020-10-21","18:00:00",""
"4338617","6.9857","0.0004","11.7814","0.0007","18.9519","0.0011","90","","90","","90","","1559.77","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Cl Mn N6 O3 -","- C13 H16 Cl Mn N6 O3 -","- C52 H64 Cl4 Mn4 N24 O12 -","4","1","","Anwar, Muhammad Usman; Lan, Yanhua; Beltran, Lianne M. C.; Clérac, Rodolphe; Pfirrmann, Sven; Anson, Christopher E.; Powell, Annie K.","In Situ Ligand Transformation in the Synthesis of Manganese Complexes: Mono-, Tri- and a Barrel-shaped Tetradeca-nuclear Mn^II^~14~ Aggregate","Inorganic Chemistry","2009","48","12","5177","5186","10.1021/ic9001048","","","0.71073","MoKα","","0.0301","0.0294","","","0.0713","0.0716","","","","","","1.05","","","","has coordinates","210046","2020-10-21","18:00:00",""
"4338643","10.7373","0.0008","12.3656","0.0009","35.321","0.003","90","","90","","90","","4689.7","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H68 Cl3 Gd Li N3 O4 -","- C43 H68 Cl3 Gd Li N3 O4 -","- C172 H272 Cl12 Gd4 Li4 N12 O16 -","4","1","","Panda, Tarun K.; Trambitas, Alexandra G.; Bannenberg, Thomas; Hrib, Cristian G.; Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Imidazolin-2-iminato Complexes of Rare Earth Metals with Very Short Metal‒Nitrogen Bonds: Experimental and Theoretical Studies","Inorganic chemistry","2009","48","12","5462","5472","10.1021/ic900503q","","","0.71073","MoKα","","0.0551","0.0443","","","0.0911","0.0947","","","","","","1.085","","","","has coordinates,has disorder","209993","2020-10-21","18:00:00",""
"4338651","9.266","0.009","12.332","0.012","12.472","0.012","90","","90","","90","","1425","2","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 N2 O2 S2 Zn -","- C11 H20 N2 O2 S2 Zn -","- C44 H80 N8 O8 S8 Zn4 -","4","1","","Almaraz, Elky; Foley, William S.; Denny, Jason A.; Reibenspies, Joseph H.; Golden, Melissa L.; Darensbourg, Marcetta Y.","Development of Five-Coordinate Zinc Mono- and Dithiolates as S-Donor Metalloligands: Formation of a Zn‒W Coordination Polymer","Inorganic Chemistry","2009","48","12","5288","5295","10.1021/ic900261s","","","0.71073","MoKα","","0.0352","0.0261","","","0.0432","0.0451","","","","","","1.049","","","","has coordinates","210050","2020-10-21","18:00:00",""
"4338719","25.432","0.004","27.707","0.004","34.2","0.005","90","","90","","90","","24099","6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C225 H300 B Co6 F4 Fe4 N50 O29 -","- C225 H269 B Co6 F4 Fe4 N50 O29 -","- C900 H1076 B4 Co24 F16 Fe16 N200 O116 -","4","1","","Shiga, Takuya; Tetsuka, Tamaki; Sakai, Kanae; Sekine, Yoshihiro; Nihei, Masayuki; Newton, Graham N.; Oshio, Hiroki","Cyanide-bridged decanuclear cobalt-iron cage.","Inorganic chemistry","2014","53","12","5899","5901","10.1021/ic500964m","","","0.71073","MoKα","","0.1645","0.0854","","","0.1972","0.2369","","","","","","1.065","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338720","22.959","0.012","29.15","0.015","34.113","0.018","90","","90","","90","","22830","2","291","2","291","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C217 H260 B Co6 F4 Fe4 N50 O17 -","- C217 H208 B Co6 F4 Fe4 N50 O16 -","- C868 H832 B4 Co24 F16 Fe16 N200 O64 -","4","1","","Shiga, Takuya; Tetsuka, Tamaki; Sakai, Kanae; Sekine, Yoshihiro; Nihei, Masayuki; Newton, Graham N.; Oshio, Hiroki","Cyanide-bridged decanuclear cobalt-iron cage.","Inorganic chemistry","2014","53","12","5899","5901","10.1021/ic500964m","","","0.71073","MoKα","","0.3009","0.1352","","","0.2993","0.3468","","","","","","1.243","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338770","12.941","0.004","16.141","0.004","21.948","0.006","90","","90","","90","","4585","2","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H50 Cl4 N2 P4 Zn -","- C40 H50 Cl4 N2 P4 Zn -","- C160 H200 Cl16 N8 P16 Zn4 -","4","1","","Surgenor, Brian A.; Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Bühl, Michael; Kilian, Petr","Reactivity profile of a peri-substitution-stabilized phosphanylidene-phosphorane: synthetic, structural, and computational studies.","Inorganic chemistry","2014","53","13","6856","6866","10.1021/ic500697m","","","0.71075","MoKα","","","0.0863","","","","0.2243","","","","","","0.982","","","","has coordinates","179490","2020-10-21","18:00:00",""
"4338850","9.9195","0.0004","16.3588","0.0007","16.5646","0.0007","90","","90","","90","","2687.96","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PNCu(PMe3)2","","","- C24 H41 Cu N P3 -","- C24 H41 Cu N P3 -","- C96 H164 Cu4 N4 P12 -","4","1","","Miller, Alexander J. M.; Dempsey, Jillian L.; Peters, Jonas C.","Long-lived and efficient emission from mononuclear amidophosphine complexes of copper.","Inorganic chemistry","2007","46","18","7244","7246","10.1021/ic7009513","","","0.71073","MoKα","","0.0734","0.0424","","","0.0615","0.066","","","","","","1.07","","","","has coordinates","179491","2020-10-21","18:00:00",""
"4338913","13.2971","0.0003","19.6681","0.0007","25.3876","0.0008","90","","90","","90","","6639.6","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Na(12c4)][(Ar[Np]N)3Nb=P-W(CO)5]","","","- C60 H92 N3 Na Nb O13 P W -","- C60 H92 N3 Na Nb O13 P W -","- C240 H368 N12 Na4 Nb4 O52 P4 W4 -","4","1","","Piro, Nicholas A.; Cummins, Christopher C.","Ethylenebis(triphenylphosphine)platinum as a probe for niobium-mediated diphosphorus chemistry.","Inorganic chemistry","2007","46","18","7387","7393","10.1021/ic700514u","","","0.71073","MoKα","","0.0304","0.0283","","","0.0668","0.0676","","","","","","1.048","","","","has coordinates,has disorder","179492","2020-10-21","18:00:00",""
"4338926","14.4563","0.0002","14.4726","0.0002","24.0551","0.0004","90","","90","","90","","5032.81","0.13","273","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H58 Mn4 N14 Sn2 Te8 -","- C20 H58 Mn4 N14 Sn2 Te8 -","- C80 H232 Mn16 N56 Sn8 Te32 -","4","1","","Zhang, Qichun; Bu, Xianhui; Lin, Zhien; Biasini, Maurizio; Beyermann, W. P.; Feng, Pingyun","Metal-complex-decorated homochiral heterobimetallic telluride single-stranded helix.","Inorganic chemistry","2007","46","18","7262","7264","10.1021/ic701135h","","","0.71073","MoKα","","0.039","0.0305","","","0.068","0.0712","","","","","","0.95","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4338935","12.5519","0.0005","16.0139","0.0007","30.1852","0.0013","90","","90","","90","","6067.4","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H44 Cu2 F24 N6 O12 -","- C48 H44 Cu2 F24 N6 O12 -","- C192 H176 Cu8 F96 N24 O48 -","4","1","","Hirel, Catherine; Li, Licun; Brough, Peter; Vostrikova, Kira; Pécaut, Jacques; Mehdaoui, Boubker; Bernard, Maxime; Turek, Philippe; Rey, Paul","New spin-transition-like copper(II)-nitroxide species.","Inorganic chemistry","2007","46","18","7545","7552","10.1021/ic700851x","","","0.71073","MoKα","","0.1025","0.0475","","","0.1097","0.1217","","","","","","0.913","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4338966","9.3153","0.0003","17.0471","0.0007","17.1125","0.0007","90","","90","","90","","2717.45","0.18","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 As I2 P Pd -","- C26 H26 As I2 P Pd -","- C104 H104 As4 I8 P4 Pd4 -","4","1","","Ma, Mengtao; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Novel stereochemistry, reactivity, and stability of an arsenic heterocycle in a metal-promoted asymmetric cycloaddition reaction.","Inorganic chemistry","2007","46","22","9488","9494","10.1021/ic701419j","","","0.71073","MoKα","","0.031","0.0261","","","0.0714","0.0846","","","","","","1.159","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4338967","7.6291","0.0003","14.2545","0.0005","17.146","0.0006","90","","90","","90","","1864.61","0.12","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Cl2 P Pd -","- C20 H21 Cl2 P Pd -","- C80 H84 Cl8 P4 Pd4 -","4","1","","Ma, Mengtao; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Novel stereochemistry, reactivity, and stability of an arsenic heterocycle in a metal-promoted asymmetric cycloaddition reaction.","Inorganic chemistry","2007","46","22","9488","9494","10.1021/ic701419j","","","0.71073","MoKα","","0.0333","0.0279","","","0.0511","0.0536","","","","","","1.054","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4338968","8.6453","0.0003","14.7344","0.0006","22.8349","0.0009","90","","90","","90","","2908.79","0.19","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 As Cl5 P Pd -","- C27 H27 As Cl5 P Pd -","- C108 H108 As4 Cl20 P4 Pd4 -","4","1","","Ma, Mengtao; Pullarkat, Sumod A.; Li, Yongxin; Leung, Pak-Hing","Novel stereochemistry, reactivity, and stability of an arsenic heterocycle in a metal-promoted asymmetric cycloaddition reaction.","Inorganic chemistry","2007","46","22","9488","9494","10.1021/ic701419j","","","0.71073","MoKα","","0.041","0.0296","","","0.0613","0.0805","","","","","","1.087","","","","has coordinates","179492","2020-10-21","18:00:00",""
"4339024","7.746","0.004","11.973","0.004","16.742","0.009","90","","90","","90","","1552.7","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 B2 K N4 -","- C14 H17 B2 K N4 -","- C56 H68 B8 K4 N16 -","4","1","","Ly, Hanh V.; Chow, Joanna H.; Parvez, Masood; McDonald, Robert; Roesler, Roland","Revisiting the 1,2,4-triaza-3,5-diborolyl ligand: sigma and pi coordination modes in the alkali metal and rhodium complexes of a planar, 6-pi-electron B2N3- ring.","Inorganic chemistry","2007","46","22","9303","9311","10.1021/ic7013286","","","0.71073","MoKα","","0.0466","0.0379","","","0.0952","0.1014","","","","","","1.056","","","","has coordinates","179493","2020-10-21","18:00:00",""
"4339127","9.0304","0.0006","11.7223","0.0008","22.488","0.002","90","","90","","90","","2380.5","0.3","293.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Li N2 O2 -","- C25 H39 Li N2 O2 -","- C100 H156 Li4 N8 O8 -","4","1","","Cipot-Wechsler, Judy; Ali, Adeeb Al-Sheikh; Chapman, Erin E.; Cameron, T. Stanley; Thompson, Alison","Synthesis and reactivity of a dipyrrinatolithium complex.","Inorganic chemistry","2007","46","26","10947","10949","10.1021/ic701369h","","","0.7107","MoKα","","","0.0689","","","","0.0708","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339151","10.37","0.001","13.399","0.001","48.885","0.001","90","","90","","90","","6792.5","0.8","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H18 Cl2 F9 Ir N6 -","- C36 H18 Cl2 F9 Ir N6 -","- C288 H144 Cl16 F72 Ir8 N48 -","8","2","","Orselli, Enrico; Kottas, Gregg S.; Konradsson, Asgeir E.; Coppo, Paolo; Fröhlich, Roland; de Cola, Luisa; van Dijken, Addy; Büchel, Michael; Börner, Herbert","Blue-emitting iridium complexes with substituted 1,2,4-triazole ligands: synthesis, photophysics, and devices.","Inorganic chemistry","2007","46","26","11082","11093","10.1021/ic701110p","","","0.71073","MoKα","","0.0857","0.0581","","","0.1283","0.145","","","","","","1.042","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4339198","9.863","0.002","12.442","0.003","20.895","0.005","90","","90","","90","","2564.1","1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 B Cu2 N8 S3 W -","- C18 H25 B Cu2 N8 S3 W -","- C72 H100 B4 Cu8 N32 S12 W4 -","4","1","","Wang, Jing; Sun, Zhen-Rong; Deng, Li; Wei, Zheng-Hong; Zhang, Wen-Hua; Zhang, Yong; Lang, Jian-Ping","Reactions of a tungsten trisulfido complex of hydridotris(3,5-dimethylpyrazol-1-yl)borate (Tp*) [Et(4)N][Tp*WS(3)] with CuX (X = Cl, NCS, or CN): isolation, structures, and third-order NLO properties.","Inorganic chemistry","2007","46","26","11381","11389","10.1021/ic701641h","","","0.71073","MoKα","","0.0423","0.0326","","","0.0541","0.0559","","","","","","0.918","","","","has coordinates","179494","2020-10-21","18:00:00",""
"4339480","14.609","0.011","15.421","0.012","15.668","0.012","90","","90","","90","","3530","5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 Co N5 O3 -","- C38 H53 Co N5 O3 -","- C152 H212 Co4 N20 O12 -","4","1","","Jones, Matthew B.; MacBeth, Cora E.","Tripodal phenylamine-based ligands and their CoII complexes.","Inorganic chemistry","2007","46","20","8117","8119","10.1021/ic701289y","","","0.71073","MoKα","","0.1065","0.0673","","","0.1007","0.1137","","","","","","1.01","","","","has coordinates","179497","2020-10-21","18:00:00",""
"4339502","7.1652","0.0014","7.6387","0.0015","29.683","0.006","90","","90","","90","","1624.6","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[(CuCN)~2~(Pdz)]","catena-poly[!mu-pyridazinedi-!mu-cyano-)dicopper(I)]","","- C6 H4 Cu2 N4 -","- C6 H4 Cu2 N4 -","- C48 H32 Cu16 N32 -","8","2","","Tronic, Tristan A.; deKrafft, Kathryn E; Lim, Mi Jung; Ley, Amanda N.; Pike, Robert D.","Copper(I) cyanide networks: synthesis, luminescence behavior and thermal analysis. Part 1. Diimine ligands.","Inorganic chemistry","2007","46","21","8897","8912","10.1021/ic7007057","","","1.54178","CuKα","","0.0442","0.044","","","0.1009","0.101","","","","","","1.253","","","","has coordinates,has disorder","179498","2020-10-21","18:00:00",""
"4339519","10.667","0.0016","13.303","0.002","17.08","0.003","90","","90","","90","","2423.7","0.7","180","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cl3 N4 O Ti -","- C21 H29 Cl3 N4 O Ti -","- C84 H116 Cl12 N16 O4 Ti4 -","4","1","","Otero, Antonio; Fernandez-Baeza, Juan; Antiñolo, Antonio; Tejeda, Juan; Lara-Sanchez, Agustín; Sanchez-Barba, Luis F; Sanchez-Molina, Margarita; Franco, Sonia; López-Solera, Maria I; Rodríguez, Ana M","Highly diastereoselective nucleophilic addition to myrtenal. Straightforward synthesis of an enantiopure scorpionate ligand.","Inorganic chemistry","2007","46","21","8475","8477","10.1021/ic701388w","","","0.71073","MoKα","","0.0755","0.0474","","","0.097","0.1105","","","","","","1.006","","","","has coordinates","179498","2020-10-21","18:00:00",""
"4339642","10.457","0.0006","13.3059","0.0008","18.1144","0.001","90","","90","","90","","2520.4","0.3","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N O2 P S -","- C25 H36 N O2 P S -","- C100 H144 N4 O8 P4 S4 -","4","1","","Chakravarty, Manab; Suresh, R. Rama; Swamy, K. C. Kumara","Molecularly nonstoichiometric crystals in phosphorus compounds.","Inorganic chemistry","2007","46","23","9819","9826","10.1021/ic701173x","","","0.71073","MoKα","","0.0363","0.0326","","","0.0877","0.0901","","","","","","1.07","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4339643","10.612","0.0007","13.3067","0.0009","18.1166","0.0012","90","","90","","90","","2558.3","0.3","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N O2 P Se -","- C25 H36 N O2 P Se -","- C100 H144 N4 O8 P4 Se4 -","4","1","","Chakravarty, Manab; Suresh, R. Rama; Swamy, K. C. Kumara","Molecularly nonstoichiometric crystals in phosphorus compounds.","Inorganic chemistry","2007","46","23","9819","9826","10.1021/ic701173x","","","0.71073","MoKα","","0.0392","0.03","","","0.0611","0.063","","","","","","0.929","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4339644","10.5397","0.0008","13.2992","0.001","18.1165","0.0013","90","","90","","90","","2539.4","0.3","273","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N O2 P S0.56 Se0.44 -","- C25 H36 N O2 P S0.56 Se0.44 -","- C100 H144 N4 O8 P4 S2.24 Se1.76 -","4","1","","Chakravarty, Manab; Suresh, R. Rama; Swamy, K. C. Kumara","Molecularly nonstoichiometric crystals in phosphorus compounds.","Inorganic chemistry","2007","46","23","9819","9826","10.1021/ic701173x","","","0.71073","MoKα","","0.0465","0.0362","","","0.0822","0.0865","","","","","","1.001","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4339659","5.569","0.001","8.119","0.002","23.596","0.005","90","","90","","90","","1066.9","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","diphenyl disulfide","","- C12 H10 S2 -","- C12 H10 S2 -","- C48 H40 S8 -","4","1","","Räisänen, Minna T; Runeberg, Nino; Klinga, Martti; Nieger, Martin; Bolte, Michael; Pyykkö, Pekka; Leskelä, Markku; Repo, Timo","Coordination of pyridinethiols in gold(I) complexes.","Inorganic chemistry","2007","46","23","9954","9960","10.1021/ic700453t","","","0.71073","MoKα","","0.0376","0.0317","","","0.0779","0.0808","","","","","","1.022","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4339683","6.0255","0.0014","16.659","0.004","26.139","0.006","90","","90","","90","","2623.8","1.1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Cu3 N20 -","- C16 H22 Cu3 N20 -","- C64 H88 Cu12 N80 -","4","1","","Gu, Zhi-Guo; Song, You; Zuo, Jing-Lin; You, Xiao-Zeng","Chiral molecular ferromagnets based on copper(II) polymers with end-on azido bridges.","Inorganic chemistry","2007","46","23","9522","9524","10.1021/ic7015325","","","0.71073","MoKα","","0.0873","0.0634","","","0.1288","0.1349","","","","","","1.021","","","","has coordinates","179499","2020-10-21","18:00:00",""
"4339708","12.6189","0.0002","20.3632","0.0003","24.1086","0.0004","90","","90","","90","","6194.97","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H91 Al3 N6 -","- C68 H91 Al3 N6 -","- C272 H364 Al12 N24 -","4","1","","Löbl, Jiri; Timoshkin, Alexey Y.; Cong, Trinh; Necas, Marek; Roesky, Herbert W.; Pinkas, Jiri","Alumazene adducts with pyridines: synthesis, structure, and stability studies.","Inorganic chemistry","2007","46","14","5678","5685","10.1021/ic700488p","","","0.71073","MoKα","","0.0819","0.0471","","","0.1138","0.1243","","","","","","0.988","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339711","13.1941","0.0008","14.9897","0.0009","27.8746","0.0014","90","","90","","90","","5512.9","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30.75 H57.75 Mn6 N15 Na2 O20.25 -","- C30.75 H56.75 Mn6 N15 Na2 O20.25 -","- C123 H227 Mn24 N60 Na8 O81 -","4","1","","Mondal, Kartik Chandra; Drew, Mike G. B.; Mukherjee, Partha Sarathi","Synthesis of a Mn6 cluster and its self-assembly of an azido-bridged polymer.","Inorganic chemistry","2007","46","14","5625","5629","10.1021/ic0702670","","","0.71073","MoKα","","0.1164","0.0598","","","0.1121","0.1241","","","","","","0.957","","","","has coordinates,has disorder","179500","2020-10-21","18:00:00",""
"4339724","8.937","0.0013","16.164","0.0008","18.057","0.0019","90","","90","","90","","2608.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cl N5 O5 -","- C24 H34 Cl N5 O5 -","- C96 H136 Cl4 N20 O20 -","4","1","","Verdejo, Begoña; Ferrer, Armando; Blasco, Salvador; Castillo, Carmen Esther; González, Jorge; Latorre, Julio; Máñez, M Angeles; Basallote, Manuel García; Soriano, Conxa; García-España, Enrique","Hydrogen and copper ion-induced molecular reorganizations in scorpionand-like ligands. A potentiometric, mechanistic, and solid-state study.","Inorganic chemistry","2007","46","14","5707","5719","10.1021/ic700643n","","","0.71073","MoKα","","0.1238","0.065","","","0.1659","0.2065","","","","","","1.115","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339733","9.145","0.0002","19.588","0.0003","21.9762","0.0004","90","","90","","90","","3936.65","0.13","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 Cl3 N6 Ni O6 -","- C36 H47 Cl3 N6 Ni O6 -","- C144 H188 Cl12 N24 Ni4 O24 -","4","1","","Szajna-Fuller, Ewa; Chambers, Bonnie M.; Arif, Atta M.; Berreau, Lisa M.","Carboxylate coordination chemistry of a mononuclear Ni(II) center in a hydrophobic or hydrogen bond donor secondary environment: relevance to acireductone dioxygenase.","Inorganic chemistry","2007","46","14","5486","5498","10.1021/ic061316w","","","0.71073","MoKα","","0.0797","0.0581","","","0.1304","0.1482","","","","","","1.021","","","","has coordinates,has disorder","179500","2020-10-21","18:00:00",""
"4339764","8.0799","0.0017","13.225","0.003","19.27","0.004","90","","90","","90","","2059.1","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Cl2 N O3 Ti -","- C20 H21 Cl2 N O3 Ti -","- C80 H84 Cl8 N4 O12 Ti4 -","4","1","","Lee, Junseong; Kim, Youngjo; Do, Youngkyu","Novel chlorotitanium complexes containing chiral tridentate schiff base ligands for ring-opening polymerization of lactide.","Inorganic chemistry","2007","46","19","7701","7703","10.1021/ic700493p","","","0.71073","MoKα","","0.0673","0.0457","","","0.1084","0.1192","","","","","","1.014","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339765","10.9666","0.0006","12.2922","0.0007","23.8353","0.0013","90","","90","","90","","3213.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 Cl3 N O3 Ti -","- C28 H40 Cl3 N O3 Ti -","- C112 H160 Cl12 N4 O12 Ti4 -","4","1","","Lee, Junseong; Kim, Youngjo; Do, Youngkyu","Novel chlorotitanium complexes containing chiral tridentate schiff base ligands for ring-opening polymerization of lactide.","Inorganic chemistry","2007","46","19","7701","7703","10.1021/ic700493p","","","0.71073","MoKα","","0.0954","0.0366","","","0.0468","0.0528","","","","","","1.003","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339773","10.701","0.003","12.479","0.003","24.07","0.005","90","","90","","90","","3214.3","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 N9 O12 Yb -","- C26 H44 N9 O12 Yb -","- C104 H176 N36 O48 Yb4 -","4","1","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide complexes of the chiral hexaaza macrocycle and its meso-type isomer: solvent-controlled helicity inversion.","Inorganic chemistry","2007","46","19","7923","7934","10.1021/ic700831z","","","0.71073","MoKα","","0.0204","0.0183","","","0.0377","0.038","","","","","","1.01","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339778","6.4068","0.0015","9.701","0.002","12.398","0.003","90","","90","","90","","770.6","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Cu N4 O2 -","- C6 H4 Cu N4 O2 -","- C24 H16 Cu4 N16 O8 -","4","1","","Liu, Fu-Chen; Zeng, Yong-Fei; Zhao, Jiong-Peng; Hu, Bo-Wen; Sañudo, E Carolina; Ribas, Joan; Bu, Xian-He","Two new copper azido polymorphs: structures, magnetic properties, and effects of ""noninnocent"" reagents in hydrothermal methods.","Inorganic chemistry","2007","46","19","7698","7700","10.1021/ic700669c","","","0.71073","MoKα","","0.024","0.0194","","","0.0447","0.0462","","","","","","1.021","","","","has coordinates","179500","2020-10-21","18:00:00",""
"4339829","13.2784","0.0001","19.324","0.0002","37.3338","0.0004","90","","90","","90","","9579.55","0.16","200","","200","","","","","","","","?","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 F6 N Ni O6 P4 S2 -","- C46 H45 F6 N Ni O6 P4 S2 -","- C368 H360 F48 N8 Ni8 O48 P32 S16 -","8","2","","Kitto, Heather J.; Rae, A. David; Webster, Richard D.; Willis, Anthony C.; Wild, S. Bruce","Synthesis, structure, and electrochemistry of di- and zerovalent nickel, palladium, and platinum monomers and dimers derived from an enantiopure (S,S)-tetra(tertiary phosphine).","Inorganic chemistry","2007","46","19","8059","8070","10.1021/ic700912q","","","0.71073","MoKα","","0.0615","0.0404","","0.0567","0.0463","0.0463","","","","","","1.1872","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4339890","16.5652","0.0009","18.8117","0.0011","31.811","0.0018","90","","90","","90","","9912.9","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H53 Br N9 P3 -","- C21 H53 Br N9 P3 -","- C252 H636 Br12 N108 P36 -","12","3","","Benson, Mark A.; Zacchini, Stefano; Boomishankar, Ramamoorthy; Chan, Yuri; Steiner, Alexander","Alkylation and acylation of cyclotriphosphazenes.","Inorganic chemistry","2007","46","17","7097","7108","10.1021/ic7009463","","","0.71073","MoKα","","0.0932","0.0598","","","0.1401","0.1478","","","","","","0.947","","","","has coordinates,has disorder","179501","2020-10-21","18:00:00",""
"4339891","16.745","0.003","18.004","0.005","19.026","0.003","90","","90","","90","","5736","2","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H71 Br N9 O2 P3 -","- C57 H71 Br N9 O2 P3 -","- C228 H284 Br4 N36 O8 P12 -","4","1","","Benson, Mark A.; Zacchini, Stefano; Boomishankar, Ramamoorthy; Chan, Yuri; Steiner, Alexander","Alkylation and acylation of cyclotriphosphazenes.","Inorganic chemistry","2007","46","17","7097","7108","10.1021/ic7009463","","","0.71073","MoKα","","0.0787","0.0357","","","0.0609","0.0682","","","","","","0.779","","","","has coordinates,has disorder","179501","2020-10-21","18:00:00",""
"4339902","6.2573","0.0004","9.6814","0.0006","11.1333","0.0007","90","","90","","90","","674.45","0.07","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Na2 O6 -","- C4 H6 Na2 O6 -","- C16 H24 Na8 O24 -","4","1","","Zhou, Zhao-Hui; Deng, Yuan-Fu; Liu, Qiong-Xin; Zhang, Hua-Lin; Mak, Thomas C. W.; Chow, Yuan L.","Selective ligand conversion of ethylenediamine tetraacetate to its triacetate on peroxotitanate(IV).","Inorganic chemistry","2007","46","17","6846","6848","10.1021/ic701256e","","","0.71073","MoKα","","0.0356","0.0354","","","0.0916","0.0918","","","","","","1.098","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339926","7.0868","0.0003","16.9811","0.0008","30.3358","0.0015","90","","90","","90","","3650.7","0.3","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 N6 Pt -","- C40 H40 N6 Pt -","- C160 H160 N24 Pt4 -","4","1","","Chang, Sheng-Yuan; Kavitha, Jakka; Hung, Jui-Yi; Chi, Yun; Cheng, Yi-Ming; Li, Elise Y.; Chou, Pi-Tai; Lee, Gene-Hsiang; Carty, Arthur J.","Luminescent platinum(II) complexes containing isoquinolinyl indazolate ligands: synthetic reaction pathway and photophysical properties.","Inorganic chemistry","2007","46","17","7064","7074","10.1021/ic700877n","","","0.71073","MoKα","","0.0594","0.0553","","","0.1261","0.128","","","","","","1.295","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4339932","20.73","0.004","8.6418","0.0016","19.063","0.004","90","","90","","90","","3415","1.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 Cr N3 O -","- C37 H50 Cr N3 O -","- C148 H200 Cr4 N12 O4 -","4","1","","Vidyaratne, Indu; Scott, Jennifer; Gambarotta, Sandro; Budzelaar, Peter H. M.","Dinitrogen activation, partial reduction, and formation of coordinated imide promoted by a chromium diiminepyridine complex.","Inorganic chemistry","2007","46","17","7040","7049","10.1021/ic700810f","","","0.71073","MoKα","","0.0499","0.0425","","","0.1102","0.1159","","","","","","1.049","","","","has coordinates","179502","2020-10-21","18:00:00",""
"4340078","9.8584","0.0006","12.6977","0.0007","23.1548","0.0013","90","","90","","90","","2898.5","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Ag F6 P3 -","- C26 H38 Ag F6 P3 -","- C104 H152 Ag4 F24 P12 -","4","1","","Barrett, Brittany J.; Iluc, Vlad M.","Coordination of a Hemilabile Pincer Ligand with an Olefinic Backbone to Mid-to-Late Transition Metals.","Inorganic chemistry","2014","53","14","7248","7259","10.1021/ic500549z","","","0.71073","MoKα","","0.0313","0.0271","","","0.059","0.0611","","","","","","1.04","","","","has coordinates","179503","2020-10-21","18:00:00",""
"4340103","8.3427","0.0005","9.0471","0.0005","38.228","0.002","90","","90","","90","","2885.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Cu N2 O16 -","- C30 H28 Cu N2 O16 -","- C120 H112 Cu4 N8 O64 -","4","1","","Chen, Jin-Xiang; Chen, Ming; Ding, Ni-Ni; Chen, Wen-Hua; Zhang, Wen-Hua; Hor, T. S. Andy; Young, David J.","Transmetalation of a Dodecahedral Na9 Aggregate-Based Polymer: A Facile Route to Water Stable Cu(II) Coordination Networks.","Inorganic chemistry","2014","53","14","7446","7454","10.1021/ic500789w","","","0.71073","MoKα","","0.027","0.0251","","","0.0602","0.0609","","","","","","1.054","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340181","18.622","0.004","21.445","0.006","11.089","0.005","90","","90","","90","","4428","3","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","trans-Bis(O-ethyldithiocarbonato)bis(triphenylphosphine)ruthenium(III) Hexafluorophosphate","","- C42 H40 F6 O2 P3 Ru S4 -","- C42 H40 F6 O2 P3 Ru S4 -","- C168 H160 F24 O8 P12 Ru4 S16 -","4","1","","Noda, Kyoko; Ohuchi, Yuko; Hashimoto, Akira; Fujiki, Masayuki; Itoh, Sumitaka; Iwatsuki, Satoshi; Noda, Toshiaki; Suzuki, Takayoshi; Kashiwabara, Kazuo; Takagi, Hideo D.","Syntheses, structural determinations of [Ru(ROCS2)2(PPh3)2](+/0) pairs, and kinetic analyses of thermal reactions involving transient trans-[Ru(iPrOCS2)2(PPh3)2] species (ROCS2(-) = ethyl- or isopropyldithiocarbonate and PPh3 = triphenylphosphine).","Inorganic chemistry","2006","45","3","1349","1355","10.1021/ic051487l","","","0.71069","MoKα","","0.1964","0.043","","","0.0932","0.1232","","","","","","0.973","","","","has coordinates","179504","2020-10-21","18:00:00",""
"4340218","8.907","0.0004","13.685","0.0006","18.6935","0.0008","90","","90","","90","","2278.59","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H31 Cl2 Fe N4 O2 -","- C15 H31 Cl3 Fe2 N4 O3 -","- C60 H124 Cl12 Fe8 N16 O12 -","4","1","","Berry, John F.; Bill, Eckhard; García-Serres, Ricardo; Neese, Frank; Weyhermüller, Thomas; Wieghardt, Karl","Effect of N-methylation of macrocyclic amine ligands on the spin state of iron(III): a tale of two fluoro complexes.","Inorganic chemistry","2006","45","5","2027","2037","10.1021/ic051823y","","","0.71073","MoKα","","0.0516","0.0407","","","0.0664","0.0691","","","","","","1.12","","","","has coordinates,has disorder","179505","2020-10-21","18:00:00",""
"4340256","10.091","0.005","14.828","0.007","19.711","0.009","90","","90","","90","","2949","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O14 Zn2 -","- C26 H24 N2 O14 Zn2 -","- C104 H96 N8 O56 Zn8 -","4","1","","Zang, Shuangquan; Su, Yang; Li, Yizhi; Ni, Zhaoping; Meng, Qingjin","Assemblies of a new flexible multicarboxylate ligand and d10 metal centers toward the construction of homochiral helical coordination polymers: structures, luminescence, and NLO-active properties.","Inorganic chemistry","2006","45","1","174","180","10.1021/ic051502m","","","0.71073","MoKα","","0.0648","0.0538","","","0.1178","0.121","","","","","","1.072","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340271","8.8155","0.0001","13.1217","0.0002","15.2641","0.0002","90","","90","","90","","1765.66","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H27 B9 N2 O Ru -","- C9 H27 B9 N2 O Ru -","- C36 H108 B36 N8 O4 Ru4 -","4","1","","Jelliss, Paul A.; Mason, Justin; Nazzoli, Jamie M.; Orlando, Justin H.; Vinson, Albert; Rath, Nigam P.; Shaw, Michael J.","Synthesis and characterization of ruthenacarborane complexes incorporating chelating N-donor ligands: unexpected luminescence from the complex [3-CO-3,3-kappa2-Me2N(CH2)2NMe2]-closo-3,1,2-RuC2B9H11].","Inorganic chemistry","2006","45","1","370","385","10.1021/ic051463e","","","0.71073","MoKα","","0.0554","0.053","","","0.0806","0.0812","","","","","","1.288","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340292","9.0638","0.0003","19.2055","0.0007","25.2024","0.0009","90","","90","","90","","4387.1","0.3","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 O10 Os3 P2 Pt2 -","- C34 H54 O10 Os3 P2 Pt2 -","- C136 H216 O40 Os12 P8 Pt8 -","4","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Platinum-osmium cluster complexes from the addition of Pt(PBut3) groups to Os3(CO)12.","Inorganic chemistry","2006","45","1","430","436","10.1021/ic0515507","","","0.71073","MoKα","","0.0664","0.0559","","","0.1125","0.1163","","","","","","1.139","","","","has coordinates","179505","2020-10-21","18:00:00",""
"4340418","13.7747","0.0015","14.319","0.0015","29.377","0.003","90","","90","","90","","5794.3","1.1","290","","290","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H55 F6 O11 P5 Ru S2 -","- C54 H55 F6 O11 P5 Ru S2 -","- C216 H220 F24 O44 P20 Ru4 S8 -","4","1","","Nagaraja, C. M.; Nethaji, Munirathinam; Jagirdar, Balaji R.","Highly electrophilic, 16-electron [Ru(P(OMe)(OH)(2))(dppe)(2)](2+) complex turns H(2)(g) into a strong acid and splits a Si-H bond heterolytically. Synthesis and structure of the novel phosphorous acid complex [Ru(P(OH)(3))(dppe)(2)](2+).","Inorganic chemistry","2005","44","12","4145","4147","10.1021/ic050026x","","","0.71073","MoKα","","0.031","0.0299","","","0.0888","0.0908","","","","","","0.697","","","","has coordinates,has disorder","179507","2020-10-21","18:00:00",""
"4340477","8.197","0.0016","11.374","0.002","19.694","0.004","90","","90","","90","","1836.1","0.6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 N2 O4 P2 S2 -","- C12 H28 N2 O4 P2 S2 -","- C48 H112 N8 O16 P8 S8 -","4","1","","Amir, Aviran; Ezra, Alon; Shimon, Linda J. W.; Fischer, Bilha","Novel Cu(I)-Selective Chelators Based on a Bis(phosphorothioyl)amide Scaffold.","Inorganic chemistry","2014","53","15","7901","","10.1021/ic500465z","","","0.71073","MoKα","","0.0452","0.0418","","","0.1109","0.1139","","","","","","1.085","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340480","13.4912","0.0003","18.9024","0.0005","31.0832","0.0007","90","","90","","90","","7926.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C93 H84 Mn3 N15 O6 -","- C93 H84 Mn3 N15 O6 -","- C372 H336 Mn12 N60 O24 -","4","1","","Song, Jeong Hwa; Lim, Kwang Soo; Ryu, Dae Won; Yoon, Sung Won; Suh, Byoung Jin; Hong, Chang Seop","Synthesis, Structures, and Magnetic Properties of End-to-End Azide-Bridged Manganese(III) Chains: Elucidation of Direct Magnetostructural Correlation.","Inorganic chemistry","2014","53","15","7936","","10.1021/ic500676k","","","0.71073","MoKα","","0.0836","0.0621","","","0.1321","0.1505","","","","","","1.049","","","","has coordinates","179507","2020-10-21","18:00:00",""
"4340565","11.7106","0.0006","16.4966","0.0009","19.9885","0.0011","90","","90","","90","","3861.5","0.4","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H72 N4 O4 Th -","- C36 H72 N4 O4 Th -","- C144 H288 N16 O16 Th4 -","4","1","","Langeslay, Ryan R.; Walensky, Justin R.; Ziller, Joseph W.; Evans, William J.","Reactivity of Organothorium Complexes with TEMPO.","Inorganic chemistry","2014","53","16","8455","8463","10.1021/ic501034b","","","0.71073","MoKα","","0.0208","0.0172","","","0.0373","0.0381","","","","","","1.046","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340570","5.8656","0.0003","9.9311","0.0005","22.5948","0.0012","90","","90","","90","","1316.19","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Fe P -","- C14 H19 Fe P -","- C56 H76 Fe4 P4 -","4","1","","Pandey, Souvik; Lönnecke, Peter; Hey-Hawkins, Evamarie","Cross-dehydrocoupling: A Novel Synthetic Route to P-B-P-B Chains.","Inorganic chemistry","2014","53","16","8242","8249","10.1021/ic500316w","","","0.71073","MoKα","","0.0475","0.0387","","","0.0665","0.0697","","","","","","1.069","","","","has coordinates","179508","2020-10-21","18:00:00",""
"4340628","5.0621","0.0017","6.579","0.002","31.087","0.01","90","","90","","90","","1035.3","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 Cu N3 O2 -","- C11 H7 Cu N3 O2 -","- C44 H28 Cu4 N12 O8 -","4","1","","Liu, Xiangyu; Cen, Peipei; Li, Hui; Ke, Hongshan; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Solvent-Induced Syntheses, Crystal Structures, Magnetic Properties, and Single-Crystal-to-Single-Crystal Transformation of Azido-Cu(II) Coordination Polymers with 2-Naphthoic Acid as Co-ligand.","Inorganic chemistry","2014","53","15","8088","","10.1021/ic5010769","","","0.71073","MoKα","","0.1541","0.0662","","","0.1392","0.1977","","","","","","1","","","","has coordinates","179509","2020-10-21","18:00:00",""
"4340724","7.4195","0.0014","19.498","0.004","24.118","0.005","90","","90","","90","","3489","1.2","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H48 Cd3 Cl10 N4 -","- C20 H48 Cd3 Cl10 N4 -","- C80 H192 Cd12 Cl40 N16 -","4","1","","Liao, Wei-Qiang; Mei, Guang-Quan; Ye, Heng-Yun; Mei, Ying-Xuan; Zhang, Yi","Structural Phase Transitions of a Layered Organic-Inorganic Hybrid Compound: Tetra(cyclopentylammonium) Decachlorotricadmate(II), [C5H9NH3]4Cd3Cl10.","Inorganic chemistry","2014","53","17","8913","8918","10.1021/ic500554z","","","0.71073","MoKα","","0.0421","0.0375","","","0.0847","0.0879","","","","","","1.002","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340737","11.1444","0.0006","17.0144","0.0009","20.6731","0.0008","90","","90","","90","","3919.9","0.3","200","2","200","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H41 F6 N8 O5 P Zn2 -","- C37 H41 F6 N8 O5 P Zn2 -","- C148 H164 F24 N32 O20 P4 Zn8 -","4","1","","Bosch, Simone; Comba, Peter; Gahan, Lawrence R.; Schenk, Gerhard","Dinuclear Zinc(II) Complexes with Hydrogen Bond Donors as Structural and Functional Phosphatase Models.","Inorganic chemistry","2014","53","17","9036","9051","10.1021/ic5009945","","x-ray","0.71073","MoKα","","0.0629","0.0523","","","0.1185","0.1263","","","","","","1.025","","","","has coordinates","179510","2020-10-21","18:00:00",""
"4340952","7.091","0.0009","14.1845","0.0018","26.618","0.003","90","","90","","90","","2677.3","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 N2 O11 Sr -","- C30 H22 N2 O11 Sr -","- C120 H88 N8 O44 Sr4 -","4","1","","Reger, Daniel L.; Leitner, Andrew; Pellechia, Perry J.; Smith, Mark D.","Framework complexes of group 2 metals organized by homochiral rods and π···π stacking forces: a breathing supramolecular MOF.","Inorganic chemistry","2014","53","18","9932","9945","10.1021/ic501581c","","","0.71073","MoKα","","0.035","0.0304","","","0.0646","0.0663","","","","","","1.031","","","","has coordinates","179512","2020-10-21","18:00:00",""
"4340968","9.684","0.009","17.926","0.017","27.04","0.03","90","","90","","90","","4694","8","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","IrSO2SO2","","","- C54.75 H40 Ir N2 O6 P S2 -","- C54.656 H40 Ir N2 O5.896 P S2 -","- C218.624 H160 Ir4 N8 O23.584 P4 S8 -","4","1","","Nguyen, Van Ha; Chew, Hui Qi; Su, Bochao; Yip, John H. K.","Synthesis and spectroscopy of anionic cyclometalated iridium(III)-dithiolate and -sulfinates‒effect of sulfur dioxygenation on electronic structure and luminescence.","Inorganic chemistry","2014","53","18","9739","9750","10.1021/ic501278n","","","0.71073","MoKα","","0.0467","0.0423","","","0.1034","0.1145","","","","","","1.123","","","","has coordinates,has disorder","179512","2020-10-21","18:00:00",""
"4341032","5.9772","0.0003","12.3164","0.0006","14.0486","0.0009","90","","90","","90","","1034.22","0.1","140","","140","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[DBU-H]+[HCO2]-","","","- C10 H18 N2 O2 -","- C10 H18 N2 O2 -","- C40 H72 N8 O8 -","4","1","","Yadav, Mahendra; Linehan, John C.; Karkamkar, Abhijeet J.; van der Eide, Edwin; Heldebrant, David J.","Homogeneous hydrogenation of CO₂ to methyl formate utilizing switchable ionic liquids.","Inorganic chemistry","2014","53","18","9849","9854","10.1021/ic501378w","","","0.71073","MoKα","","0.0433","0.0365","","","0.084","0.0871","","","","","","1.013","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341093","8.7901","0.0018","11.461","0.002","20.172","0.004","90","","90","","90","","2032.2","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Ge N2 S -","- C21 H28 Ge N2 S -","- C84 H112 Ge4 N8 S4 -","4","1","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Use of thio and seleno germanones as ligands: silver(i) halide complexes with ge═e→ag-I (e = s, se) moieties and chalcogen-dependent argentophilic interaction.","Inorganic chemistry","2014","53","19","10054","10059","10.1021/ic5008389","","","0.71073","MoKα","","0.0253","0.0221","","","0.0557","0.0563","","","","","","1.018","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341094","8.8178","0.0011","11.6655","0.0014","20.231","0.003","90","","90","","90","","2081","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Ge N2 Se -","- C21 H28 Ge N2 Se -","- C84 H112 Ge4 N8 Se4 -","4","1","","Yadav, Dhirendra; Siwatch, Rahul Kumar; Mukherjee, Goutam; Rajaraman, Gopalan; Nagendran, Selvarajan","Use of thio and seleno germanones as ligands: silver(i) halide complexes with ge═e→ag-I (e = s, se) moieties and chalcogen-dependent argentophilic interaction.","Inorganic chemistry","2014","53","19","10054","10059","10.1021/ic5008389","","","0.71073","MoKα","","0.0226","0.0212","","","0.0493","0.0499","","","","","","1.039","","","","has coordinates","179513","2020-10-21","18:00:00",""
"4341130","16.7265","0.0008","22.7706","0.0011","26.4205","0.0014","90","","90","","90","","10062.8","0.9","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H28 F30 Ga2 I6 N12 -","- C94 H28 F30 Ga2 I4.68 N12 -","- C376 H112 F120 Ga8 I18.72 N48 -","4","1","","Vestfrid, Jenya; Goldberg, Israel; Gross, Zeev","Tuning the photophysical and redox properties of metallocorroles by iodination.","Inorganic chemistry","2014","53","19","10536","10542","10.1021/ic501585a","","","0.71073","MoKα","","0.0648","0.0522","","","0.1232","0.1281","","","","","","1.02","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341149","11.726","0.0008","13.8766","0.0007","18.0847","0.0011","90","","90","","90","","2942.7","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 B3 Mn O3 Ru2 S2 -","- C24 H38 B3 Mn O3 Ru2 S2 -","- C96 H152 B12 Mn4 O12 Ru8 S8 -","4","1","","Anju, R. S.; Saha, Koushik; Mondal, Bijan; Dorcet, Vincent; Roisnel, Thierry; Halet, Jean-Francois; Ghosh, Sundargopal","Chemistry of diruthenium analogue of pentaborane(9) with heterocumulenes: toward novel trimetallic cubane-type clusters.","Inorganic chemistry","2014","53","19","10527","10535","10.1021/ic501623f","","x-ray","0.71073","MoKα","","0.0217","0.0204","","","0.043","0.0435","","","","","","1.017","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341155","33.329","0.007","15.599","0.003","4.2237","0.0008","90","","90","","90","","2195.9","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Bi Eu Se3 -","- Bi Eu Se3 -","- Bi16 Eu16 Se48 -","16","4","","Forbes, Scott; Tseng, Yu-Chih; Mozharivskyj, Yurij","Crystal Cluster Growth and Physical Properties of the EuSbSe3 and EuBiSe3 Phases.","Inorganic chemistry","2015","54","3","815","820","10.1021/ic501808y","","","0.71073","MoKα","","0.1357","0.0603","","","0.1078","0.1335","","","","","","0.853","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341156","32.922","0.007","15.407","0.003","4.2573","0.0009","90","","90","","90","","2159.4","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Eu Sb Se3 -","- Eu Sb Se3 -","- Eu16 Sb16 Se48 -","16","4","","Forbes, Scott; Tseng, Yu-Chih; Mozharivskyj, Yurij","Crystal Cluster Growth and Physical Properties of the EuSbSe3 and EuBiSe3 Phases.","Inorganic chemistry","2015","54","3","815","820","10.1021/ic501808y","","","0.71073","MoKα","","0.1096","0.0644","","","0.1502","0.1954","","","","","","1.035","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341161","8.3251","0.0003","9.6543","0.0003","12.7544","0.0004","90","","90","","90","","1025.11","0.06","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- B6 Cl Na2 O10 Rb -","- B6 Cl Na2 O10 Rb -","- B24 Cl4 Na8 O40 Rb4 -","4","1","","Bai, Chunyan; Yu, Hongwei; Han, Shujuan; Pan, Shilie; Zhang, Bingbing; Wang, Ying; Wu, Hongping; Yang, Zhihua","Effect of halogen (cl, br) on the symmetry of flexible perovskite-related framework.","Inorganic chemistry","2014","53","20","11213","11220","10.1021/ic501814q","","","0.71073","MoKα","","0.0327","0.0286","","","0.068","0.0698","","","","","","1.065","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341162","7.437","0.008","9.938","0.011","12.804","0.014","90","","90","","90","","946.3","1.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- B6 Cl Na3 O10 -","- B6 Cl Na3 O10 -","- B24 Cl4 Na12 O40 -","4","1","","Bai, Chunyan; Yu, Hongwei; Han, Shujuan; Pan, Shilie; Zhang, Bingbing; Wang, Ying; Wu, Hongping; Yang, Zhihua","Effect of halogen (cl, br) on the symmetry of flexible perovskite-related framework.","Inorganic chemistry","2014","53","20","11213","11220","10.1021/ic501814q","","","0.71073","MoKα","","0.0481","0.0386","","","0.0917","0.0975","","","","","","1.059","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341233","14.963","0.002","16.604","0.002","17.856","0.002","90","","90","","90","","4436.2","0.9","90","0.5","90","0.5","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 B Cl3 Co F4 N10 O7 Re -","- C35 H44 B Cl3 Co F4 N10 O7 Re -","- C140 H176 B4 Cl12 Co4 F16 N40 O28 Re4 -","4","1","","Lewis, Nerissa A.; Marzilli, Patricia A.; Fronczek, Frank R.; Marzilli, Luigi G.","Models for B12-Conjugated Radiopharmaceuticals. Cobaloxime Binding to New fac-[Re(CO)3(Me2Bipyridine)(amidine)]BF4 Complexes Having an Exposed Pyridyl Nitrogen.","Inorganic chemistry","2014","53","20","11096","11107","10.1021/ic5016675","","","0.71073","MoKα","","0.0476","0.0359","","","0.0717","0.0752","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4341253","13.137","0.003","22.186","0.004","24.594","0.005","90","","90","","90","","7168","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C79 H69 Fe N3 P6 -","- C79 H69 Fe N3 P6 -","- C316 H276 Fe4 N12 P24 -","4","1","","Frank, Nicolas; Hanau, Katharina; Langer, Robert","Metal-Ligand Cooperation in H2 Activation with Iron Complexes Bearing Hemilabile Bis(diphenylphosphino)amine Ligands.","Inorganic chemistry","2014","53","20","11335","11343","10.1021/ic5022164","","","0.71073","MoKα","","0.0807","0.0579","","","0.1211","0.1297","","","","","","0.966","","","","has coordinates,has disorder","179515","2020-10-21","18:00:00",""
"4341325","14.559","0.003","20.423","0.004","33.688","0.007","90","","90","","90","","10017","4","143","2","143","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C96 H108 Cl Eu Li4 O15 Si6 -","- C96 H108 Cl Eu Li4 O15 Si6 -","- C384 H432 Cl4 Eu4 Li16 O60 Si24 -","4","1","","Rausch, Janek; Lorenz, Volker; Hrib, Cristian G.; Frettlöh, Vanessa; Adlung, Matthias; Wickleder, Claudia; Hilfert, Liane; Jones, Peter G.; Edelmann, Frank T.","Heterometallic europium disiloxanediolates: synthesis, structural diversity, and photoluminescence properties.","Inorganic chemistry","2014","53","21","11662","11674","10.1021/ic501837x","","","0.71073","MoKα","","0.0765","0.0586","","","0.1369","0.1467","","","","","","0.993","","","","has coordinates","179516","2020-10-21","18:00:00",""
"4341418","23.0661","0.001","11.433","0.0005","11.2237","0.0005","90","","90","","90","","2959.9","0.2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Bi12 Li2 O31 S4 -","- Bi12 Li2 O31 S4 -","- Bi48 Li8 O124 S16 -","4","1","","Lü, Minfeng; Colmont, Marie; Huvé, Marielle; De Waele, Isabelle; Terryn, Christine; Aliev, Almaz; Mentré, Olivier","Investigation of New Alkali Bismuth Oxosulfates and Oxophosphates with Original Topologies of Oxo-Centered Units","Inorganic Chemistry","2014","","","141031160816001","","10.1021/ic501776h","","","0.71073","MoKα","","0.0785","0.0646","","","0.0725","0.0736","","","","2.92","2.92","2.75","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341496","9.356","0.0007","11.5131","0.0007","31.1479","0.0017","90","","90","","90","","3355.1","0.4","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Poly[bis-[1,3-di(1,2,4-triazol-4-yl)adamantane]-dicopper(I) dimolybdate(VI)]","","- C28 H38 Cu2 Mo2 N12 O8 -","- C28 H38 Cu2 Mo2 N12 O8 -","- C112 H152 Cu8 Mo8 N48 O32 -","4","1","","Senchyk, Ganna A.; Lysenko, Andrey B.; Babaryk, Artem A.; Rusanov, Eduard B.; Krautscheid, Harald; Neves, Patrícia; Valente, Anabela A.; Gonçalves, Isabel S; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Domasevitch, Konstantin V.","Triazolyl-based copper-molybdate hybrids: from composition space diagram to magnetism and catalytic performance.","Inorganic chemistry","2014","53","19","10112","10121","10.1021/ic5009736","","","0.71073","MoKα","","0.0453","0.0281","","","0.0459","0.0484","","","","","","0.8","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4341510","14.063","0.003","15.562","0.003","19.314","0.004","90","","90","","90","","4226.8","1.5","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H15 F15 Fe N9 O3 P9 -","- C27 H15 F15 Fe N9 O3 P9 -","- C108 H60 F60 Fe4 N36 O12 P36 -","4","1","","Kumar, Dheeraj; Singh, Nem; Elias, Anil J.; Malik, Pauline; Allen, Christopher W.","Reactions of alkyne- and butadiyne-derived fluorinated cyclophosphazenes with diiron and dimolybdenum carbonyls.","Inorganic chemistry","2014","53","19","10674","10684","10.1021/ic501821v","","","0.71073","MoKα","","0.081","0.0713","","","0.1372","0.1412","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4341620","13.1049","0.0007","15.124","0.0013","18.0808","0.0016","90","","90","","90","","3583.6","0.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29.25 H43.5 N10 Ni2 O7.75 S2 -","- C29.25 H43.5 N10 Ni2 O7.75 S2 -","- C117 H174 N40 Ni8 O31 S8 -","4","1","","Bacher, Felix; Dömötör, Orsolya; Kaltenbrunner, Maria; Mojović, Miloš; Popović-Bijelić, Ana; Gräslund, Astrid; Ozarowski, Andrew; Filipovic, Lana; Radulović, Sinisa; Enyedy, Eva A.; Arion, Vladimir B.","Effects of Terminal Dimethylation and Metal Coordination of Proline-2-formylpyridine Thiosemicarbazone Hybrids on Lipophilicity, Antiproliferative Activity, and hR2 RNR Inhibition.","Inorganic chemistry","2014","","","141112160101001","","10.1021/ic502239u","","","0.71073","MoKα","","0.1119","0.0603","","","0.1162","0.1373","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4341621","13.2489","0.0004","15.2821","0.0005","17.9458","0.0007","90","","90","","90","","3633.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 N10 Ni2 O8 S2 -","- C30 H46 N10 Ni2 O8 S2 -","- C120 H184 N40 Ni8 O32 S8 -","4","1","","Bacher, Felix; Dömötör, Orsolya; Kaltenbrunner, Maria; Mojović, Miloš; Popović-Bijelić, Ana; Gräslund, Astrid; Ozarowski, Andrew; Filipovic, Lana; Radulović, Sinisa; Enyedy, Eva A.; Arion, Vladimir B.","Effects of Terminal Dimethylation and Metal Coordination of Proline-2-formylpyridine Thiosemicarbazone Hybrids on Lipophilicity, Antiproliferative Activity, and hR2 RNR Inhibition.","Inorganic chemistry","2014","","","141112160101001","","10.1021/ic502239u","","","0.71073","MoKα","","0.0402","0.0316","","","0.0637","0.0661","","","","","","1.034","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341622","11.7885","0.0013","11.8487","0.0013","55.473","0.006","90","","90","","90","","7748.4","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32.88 H49.5 N10 Ni2 O6.88 S2 -","- C32.875 H41.5 N10 Ni2 O6.875 S2 -","- C263 H332 N80 Ni16 O55 S16 -","8","2","","Bacher, Felix; Dömötör, Orsolya; Kaltenbrunner, Maria; Mojović, Miloš; Popović-Bijelić, Ana; Gräslund, Astrid; Ozarowski, Andrew; Filipovic, Lana; Radulović, Sinisa; Enyedy, Eva A.; Arion, Vladimir B.","Effects of Terminal Dimethylation and Metal Coordination of Proline-2-formylpyridine Thiosemicarbazone Hybrids on Lipophilicity, Antiproliferative Activity, and hR2 RNR Inhibition.","Inorganic chemistry","2014","","","141112160101001","","10.1021/ic502239u","","","0.71073","MoKα","","0.0459","0.0405","","","0.1058","0.1081","","","","","","1.092","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4341623","6.6987","0.0007","13.3713","0.0018","18.755","0.002","90","","90","","90","","1679.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cu N5 O3 S -","- C15 H21 Cu N5 O3 S -","- C60 H84 Cu4 N20 O12 S4 -","4","1","","Bacher, Felix; Dömötör, Orsolya; Kaltenbrunner, Maria; Mojović, Miloš; Popović-Bijelić, Ana; Gräslund, Astrid; Ozarowski, Andrew; Filipovic, Lana; Radulović, Sinisa; Enyedy, Eva A.; Arion, Vladimir B.","Effects of Terminal Dimethylation and Metal Coordination of Proline-2-formylpyridine Thiosemicarbazone Hybrids on Lipophilicity, Antiproliferative Activity, and hR2 RNR Inhibition.","Inorganic chemistry","2014","","","141112160101001","","10.1021/ic502239u","","","0.71073","MoKα","","0.0196","0.0189","","","0.0518","0.0522","","","","","","1.01","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341643","12.4804","0.0011","16.3805","0.0015","16.9652","0.0018","90","","90","","90","","3468.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H0 La0.17 N1.17 O5.83 Pb1.33 -","- La0.166667 N1.16667 O5.83333 Pb1.33333 -","- La4 N28 O140 Pb32 -","24","6","","Wang, Genxiang; Luo, Min; Lin, Chensheng; Ye, Ning; Zhou, Yuqiao; Cheng, Wendan","Lanthanum Lead Oxide Hydroxide Nitrates with a Nonlinear Optical Effect.","Inorganic chemistry","2014","","","141111081701007","","10.1021/ic502202a","","","0.71073","MoKα","","0.0617","0.0519","","","0.1064","0.1135","","","","","","1.105","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341670","9.4029","0.0003","13.8251","0.0004","16.2702","0.0005","90","","90","","90","","2115.06","0.11","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H34 N P2 Tl -","- C18 H34 N P2 Tl -","- C72 H136 N4 P8 Tl4 -","4","1","","Kessler, Julie A.; Iluc, Vlad M.","Ag(I) and Tl(I) Precursors as Transfer Agents of a Pyrrole-Based Pincer Ligand to Late Transition Metals.","Inorganic chemistry","2014","","","141111134546005","","10.1021/ic501600s","","","0.71073","MoKα","","0.0156","0.0145","","","0.0292","0.0297","","","","","","1.006","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341673","11.6741","0.0008","12.4087","0.0008","28.6835","0.0018","90","","90","","90","","4155.1","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H68 Ag2 N2 P4 -","- C36 H68 Ag2 N2 P4 -","- C144 H272 Ag8 N8 P16 -","4","1","","Kessler, Julie A.; Iluc, Vlad M.","Ag(I) and Tl(I) Precursors as Transfer Agents of a Pyrrole-Based Pincer Ligand to Late Transition Metals.","Inorganic chemistry","2014","","","141111134546005","","10.1021/ic501600s","","","0.71073","MoKα","","0.0487","0.0378","","","0.073","0.0768","","","","","","1.061","","","","has coordinates","179519","2020-10-21","18:00:00",""
"4341750","8.9978","0.0018","9.4638","0.0019","10.433","0.002","90","","90","","90","","888.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Co N2 O5 -","- C7 H4 Co N2 O5 -","- C28 H16 Co4 N8 O20 -","4","1","","Liu, Ting; Gao, Su-Mei; Xu, Long-Yang; Zhao, Jiong-Peng; Liu, Fu-Chen; Hu, Hai-Liang; Kang, Zhen-Hui","Design and Synthesis of Stable Cobalt-Based Weak Ferromagnetic Framework with Large Spin Canting Angle.","Inorganic chemistry","2014","","","141202093155003","","10.1021/ic502177k","","","0.71073","MoKα","","0.0839","0.0746","","","0.1855","0.1902","","","","","","1.254","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341751","8.9199","0.0018","9.4566","0.0019","10.414","0.002","90","","90","","90","","878.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Co N2 O6 -","- C6 H4 Co N2 O6 -","- C24 H16 Co4 N8 O24 -","4","1","","Liu, Ting; Gao, Su-Mei; Xu, Long-Yang; Zhao, Jiong-Peng; Liu, Fu-Chen; Hu, Hai-Liang; Kang, Zhen-Hui","Design and Synthesis of Stable Cobalt-Based Weak Ferromagnetic Framework with Large Spin Canting Angle.","Inorganic chemistry","2014","","","141202093155003","","10.1021/ic502177k","","","0.71073","MoKα","","0.0937","0.0885","","","0.2134","0.2164","","","","","","1.396","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341756","8.5632","0.0006","10.5141","0.0008","25.0136","0.0018","90","","90","","90","","2252.1","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O4 Pt S -","- C24 H21 N O4 Pt S -","- C96 H84 N4 O16 Pt4 S4 -","4","1","","Yang, Xiaolong; Xu, Xianbin; Zhao, Jiang; Dang, Jing-Shuang; Huang, Zuan; Yan, Xiaogang; Zhou, Guijiang; Wang, Dongdong","Phosphorescent Platinum(II) Complexes Bearing 2-Vinylpyridine-type Ligands: Synthesis, Electrochemical and Photophysical Properties, and Tuning of Electrophosphorescent Behavior by Main-Group Moieties.","Inorganic chemistry","2014","","","141204103846004","","10.1021/ic502122t","","","0.71073","MoKα","","0.0919","0.0603","","","0.1516","0.1678","","","","","","1.065","","","","has coordinates","179520","2020-10-21","18:00:00",""
"4341856","5.6373","0.0011","11.483","0.002","12.535","0.003","90","","90","","90","","811.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ba Eu Na O9 Si3 -","- Ba Eu Na O9 Si3 -","- Ba4 Eu4 Na4 O36 Si12 -","4","1","","Heyward, Carla C.; McMillen, Colin D.; Kolis, Joseph W.","Hydrothermal growth of lanthanide borosilicates: a useful approach to new acentric crystals including a derivative of cappelenite.","Inorganic chemistry","2015","54","3","905","913","10.1021/ic502279n","","","0.71073","MoKα","","0.0369","0.032","","","0.0668","0.0696","","","","","","1.199","","","","has coordinates","179521","2020-10-21","18:00:00",""
"4341930","13.734","0.003","16.582","0.003","17.723","0.004","90","","90","","90","","4036.2","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H60 N4 O31 Yb4 -","- C60 H60 N4 O31 Yb4 -","- C120 H120 N8 O62 Yb8 -","2","0.5","","Liu, Tian-Qi; Yan, Peng-Fei; Luan, Fang; Li, Yu-Xin; Sun, Jing-Wen; Chen, Chuan; Yang, Fan; Chen, Han; Zou, Xiao-Yan; Li, Guang-Ming","Near-IR Luminescence and Field-Induced Single Molecule Magnet of Four Salen-type Ytterbium Complexes.","Inorganic chemistry","2015","54","1","221","228","10.1021/ic502194d","","","0.71073","MoKα","","0.0445","0.0338","","","0.0675","0.0697","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342119","5.6983","0.0002","11.4598","0.0005","14.746","0.0006","90","","90","","90","","962.93","0.07","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Fluoro-6-(indazol-2-yl)pyridine - form 3","","- C12 H8 F N3 -","- C12 H8 F N3 -","- C48 H32 F4 N12 -","4","1","","Santoro, Amedeo; Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Cespedes, Oscar; Halcrow, Malcolm A.","Iron(II) Complexes of Tridentate Indazolylpyridine Ligands: Enhanced Spin-Crossover Hysteresis and Ligand-Based Fluorescence.","Inorganic chemistry","2015","54","2","682","693","10.1021/ic502726q","","","1.54184","CuKα","","0.0433","0.0401","","","0.1015","0.1053","","","","","","1.074","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342148","13.58929","0.00015","18.9059","0.0002","20.0649","0.0002","90","","90","","90","","5155.03","0.09","151","","151","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H82 Ga2 N6 -","- C50 H82 Ga2 N6 -","- C200 H328 Ga8 N24 -","4","1","","Maheswari, K.; Rao, A. Ramakrishna; Reddy, N. Dastagiri","Insertion of benzonitrile into Al-N and ga-N bonds: formation of fused carbatriaza-gallanes/alanes and their subsequent synthesis from amidines and trimethyl-gallium/aluminum.","Inorganic chemistry","2015","54","4","2000","2008","10.1021/ic5029096","","","0.7107","MoKα","","0.0434","0.0336","","","0.0757","0.0816","","","","","","1.047","","","","has coordinates","179524","2020-10-21","18:00:00",""
"4342271","8.244","0.003","12.08","0.004","23.431","0.007","90","","90","","90","","2333.4","1.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Ga N4 O9 -","- C24 H26 Ga N4 O9 -","- C96 H104 Ga4 N16 O36 -","4","1","","Ramogida, Caterina F.; Cawthray, Jacqueline F.; Boros, Eszter; Ferreira, Cara L.; Patrick, Brian O.; Adam, Michael J.; Orvig, Chris","H2CHXdedpa and H4CHXoctapa-Chiral Acyclic Chelating Ligands for (67/68)Ga and (111)In Radiopharmaceuticals.","Inorganic chemistry","2015","54","4","2017","2031","10.1021/ic502942a","","x-ray","0.71073","MoKα","","0.0456","0.0413","","","0.0962","0.0983","","","","","","1.074","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4342336","10.9107","0.0016","15.793","0.002","31.758","0.005","90","","90","","90","","5472.3","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H68.5 Cu2 N7 O15.75 -","- C46 H49 Cu2 N7 O15.75 -","- C184 H196 Cu8 N28 O63 -","4","1","","Jany, Thomas; Moreth, Alexander; Gruschka, Claudia; Sischka, Andy; Spiering, Andre; Dieding, Mareike; Wang, Ying; Samo, Susan Haji; Stammler, Anja; Bögge, Hartmut; Fischer von Mollard, Gabriele; Anselmetti, Dario; Glaser, Thorsten","Rational design of a cytotoxic dinuclear cu2 complex that binds by molecular recognition at two neighboring phosphates of the DNA backbone.","Inorganic chemistry","2015","54","6","2679","2690","10.1021/ic5028465","","","0.71073","MoKα","","0.0521","0.0436","","","0.1193","0.1243","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342411","10.9635","0.0003","18.345","0.0005","29.5411","0.0007","90","","90","","90","","5941.5","0.3","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H82 N3 O6 P2 Y -","- C62 H82 N3 O6 P2 Y -","- C248 H328 N12 O24 P8 Y4 -","4","1","","Bakewell, Clare; White, Andrew J. P.; Long, Nicholas J.; Williams, Charlotte K.","Scandium and Yttrium Phosphasalen Complexes as Initiators for Ring-Opening Polymerization of Cyclic Esters.","Inorganic chemistry","2015","54","5","2204","","10.1021/ic5027015","","","0.71073","MoKα","","0.0545","0.0432","","","0.0986","0.1051","","","","","","1.038","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342422","9.2232","0.0005","11.7387","0.0006","22.4883","0.0013","90","","90","","90","","2434.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Ir N2 S2 -","- C29 H23 Ir N2 S2 -","- C116 H92 Ir4 N8 S8 -","4","1","","Nguyen, Van Ha; Khoo, Rebecca Shu Hui; Yip, John H. K.","Ir(2-Phenylpyridine)2(benzene-1,2-dithiolate) Anion as a Diastereoselective Metalloligand and Nucleophile: Stereoelectronic Effect, Spectroscopy, and Computational Study of the Methylated and Aurated Complexes and their Oxygenation Products.","Inorganic chemistry","2015","54","5","2264","","10.1021/ic502875y","","","0.71073","MoKα","","0.0258","0.0201","","","0.0369","0.0381","","","","","","1.027","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342428","5.6062","0.0001","13.071","0.0003","25.3361","0.0005","90","","90","","90","","1856.59","0.07","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N4 S2 -","- C21 H16 N4 S2 -","- C84 H64 N16 S8 -","4","1","","Müller, Christoph; Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Concept for Enhancement of the Stability of Calcium-Bound Pyrazolyl-Substituted Methanides","Inorganic Chemistry","2015","","","150219085646005","","10.1021/acs.inorgchem.5b00064","","","0.71073","MoKα","","0.0385","0.0355","","","0.0968","0.0993","","","","","","1.077","","","","has coordinates,has disorder","179527","2020-10-21","18:00:00",""
"4342448","8.816","0.005","16.253","0.01","17.647","0.01","90","","90","","90","","2529","3","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Δ-Bis{(R)-N-(1-phenylethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C30 H28 Cu N2 O2 -","- C30 H28 Cu N2 O2 -","- C120 H112 Cu4 N8 O8 -","4","1","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.0677","0.0403","","","0.0815","0.0925","","","","","","1.059","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342452","8.8232","0.0018","16.287","0.003","17.655","0.004","90","","90","","90","","2537.1","0.9","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Λ-Bis{(S)-N-(1-phenylethyl)salicylaldiminato- κ^2^N,O}copper(II)","","- C30 H28 Cu N2 O2 -","- C30 H28 Cu N2 O2 -","- C120 H112 Cu4 N8 O8 -","4","1","","Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen","Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.","Inorganic chemistry","2015","54","5","2193","","10.1021/ic502661u","","","0.71073","MoKα","","0.0321","0.0267","","","0.0612","0.0633","","","","","","1.04","","","","has coordinates","179527","2020-10-21","18:00:00",""
"4342557","10.532","0.003","12.899","0.004","19.465","0.004","90","","90","","90","","2644.4","1.2","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H41 As N4 P2 Se2 -","- C18 H41 As N4 P2 Se2 -","- C72 H164 As4 N16 P8 Se8 -","4","1","","Nordheider, Andreas; Hüll, Katharina; Prentis, Joanna K. D.; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Chivers, Tristram","[In Process Citation].","Inorganic chemistry","2015","54","6","3043","3054","10.1021/acs.inorgchem.5b00161","","","0.71075","MoKα","","","0.0602","","","","0.1875","","","","","","1.099","","","","has coordinates","179528","2020-10-21","18:00:00",""
"4342605","9.8055","0.001","12.1666","0.0013","34.318","0.004","90","","90","","90","","4094.1","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H63 B11 Na O8 -","- C32 H63 B11 Na O8 -","- C128 H252 B44 Na4 O32 -","4","1","","Zhang, Jiji; Fu, Xiaodu; Lin, Zhenyang; Xie, Zuowei","Supercarborane radical anions with 2n + 3 electron counts: a combined experimental and theoretical study.","Inorganic chemistry","2015","54","4","1965","1973","10.1021/ic502866h","","","0.71073","MoKα","","0.1104","0.0887","","","0.2382","0.2608","","","","","","1.019","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342627","6.745","0.0002","7.3199","0.0002","23.921","0.0009","90","","90","","90","","1181.04","0.07","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O2 S -","- C13 H12 O2 S -","- C52 H48 O8 S4 -","4","1","","Li, Zheng-Zheng; Wen, A-Hao; Yao, Su-Yang; Ye, Bao-Hui","Enantioselective Syntheses of Sulfoxides in Octahedral Ruthenium(II) Complexes via a Chiral-at-Metal Strategy.","Inorganic chemistry","2015","54","6","2726","2733","10.1021/ic502898e","","","1.54178","CuKα","","0.0363","0.0323","","","0.0733","0.076","","","","","","1.087","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342635","13.5976","0.0002","49.5568","0.0007","25.342","0.0004","90","","90","","90","","17076.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C125 H275 Cr2 Mo12 N11 O51 -","- C125 H270.5 Cr2 Mo12 N11 O51 -","- C500 H1082 Cr8 Mo48 N44 O204 -","4","1","","Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge","Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.","Inorganic chemistry","2015","54","6","2551","2559","10.1021/ic502622k","","","1.54184","CuKα","","0.06","0.0526","","","0.1013","0.1062","","","","","","1.112","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342636","13.7969","0.0002","49.1579","0.0007","25.2437","0.0004","90","","90","","90","","17120.9","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H146 Mn Mo6 N6 O26 -","- C64 H140.5 Mn Mo6 N6 O26 -","- C512 H1124 Mn8 Mo48 N48 O208 -","8","2","","Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge","Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.","Inorganic chemistry","2015","54","6","2551","2559","10.1021/ic502622k","","","1.54184","CuKα","","0.0547","0.0513","","","0.109","0.1012","","","","","","1.051","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4342637","13.6974","0.0002","49.357","0.0007","25.1423","0.0004","90","","90","","90","","16997.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62.5 H137.5 Al Mo6 N5.5 O25.5 -","- C62.5 H137.5 Al Mo6 N5.5 O25.5 -","- C500 H1100 Al8 Mo48 N44 O204 -","8","2","","Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge","Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.","Inorganic chemistry","2015","54","6","2551","2559","10.1021/ic502622k","","","1.54184","CuKα","","0.0525","0.0498","","","0.0974","0.1018","","","","","","1.032","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4342643","14.9869","0.0006","15.7096","0.0007","18.9277","0.0008","90","","90","","90","","4456.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H59 N3 Ni O S2 -","- C42 H59 N3 Ni O S2 -","- C168 H236 N12 Ni4 O4 S8 -","4","1","","Olechnowicz, Frank; Hillhouse, Gregory L.; Jordan, Richard F.","Synthesis and Reactivity of NHC-Supported Ni2(μ(2)-η(2),η(2)-S2)-Bridging Disulfide and Ni2(μ-S)2-Bridging Sulfide Complexes.","Inorganic chemistry","2015","54","6","2705","2712","10.1021/ic502892r","","","0.71073","MoKα","","0.0829","0.061","","","0.1308","0.1402","","","","","","1.052","","","","has coordinates,has disorder","179529","2020-10-21","18:00:00",""
"4342651","6.9474","0.0001","13.2522","0.0002","14.1927","0.0002","90","","90","","90","","1306.7","0.03","150","","150","","","","101","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O -","- C16 H14 Cl N O -","- C64 H56 Cl4 N4 O4 -","4","1","","Routledge, Jack D.; Jones, Michael W.; Faulkner, Stephen; Tropiano, Manuel","Kinetically Stable Lanthanide Complexes Displaying Exceptionally High Quantum Yields upon Long-Wavelength Excitation: Synthesis, Photophysical Properties, and Solution Speciation.","Inorganic chemistry","2015","54","7","3337","3345","10.1021/ic503049m","","","0.71073","MoKα","","0.0461","0.0362","","0.0841","0.0735","0.0841","","","","","","1.0005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342654","10.0899","0.0006","10.6066","0.0008","21.3352","0.0016","90","","90","","90","","2283.3","0.3","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N8 Ni O -","- C22 H32 N8 Ni O -","- C88 H128 N32 Ni4 O4 -","4","1","","Reineke, Mark H.; Sampson, Matthew D.; Rheingold, Arnold L.; Kubiak, Clifford P.","Synthesis and Structural Studies of Nickel(0) Tetracarbene Complexes with the Introduction of a New Four-Coordinate Geometric Index, τδ.","Inorganic chemistry","2015","54","7","3211","3217","10.1021/ic502792q","","","0.71073","MoKα","","0.0612","0.0426","","","0.0798","0.0866","","","","","","0.999","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342673","10.8047","0.0003","14.4714","0.0004","28.0424","0.0008","90","","90","","90","","4384.7","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H66 N2 O Si Sm -","- C45 H66 N2 O Si Sm -","- C180 H264 N8 O4 Si4 Sm4 -","4","1","","Zitz, Rainer; Arp, Henning; Hlina, Johann; Walewska, Małgorzata; Marschner, Christoph; Szilvási, Tibor; Blom, Burgert; Baumgartner, Judith","Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure, and Bonding Analysis.","Inorganic chemistry","2015","54","7","3306","3315","10.1021/ic502991p","","","1.54184","CuKα","","0.0809","0.0693","","","0.1673","0.1778","","","","","","1.039","","","","has coordinates","179529","2020-10-21","18:00:00",""
"4342721","5.9864","0.00001","8.5702","0.00001","27.2074","0.0004","90","","90","","90","","1395.87","0.02","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 F6 N2 O2 P Ru -","- C10 H15 F6 N2 O2 P Ru -","- C40 H60 F24 N8 O8 P4 Ru4 -","4","1","","Scrase, Tom G.; O'Neill, Michael J; Peel, Andrew J.; Senior, Paul W.; Matthews, Peter D.; Shi, Heyao; Boss, Sally R.; Barker, Paul D.","Selective Lability of Ruthenium(II) Arene Amino Acid Complexes.","Inorganic chemistry","2015","54","7","3118","3124","10.1021/ic502051y","","","0.71073","MoKα","","0.0396","0.0337","","","0.072","0.0744","","","","","","1.019","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342722","6.1049","0.0002","9.2278","0.0002","26.4164","0.0008","90","","90","","90","","1488.16","0.07","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 F6 N3 O2 P Ru -","- C12 H14 F6 N3 O2 P Ru -","- C48 H56 F24 N12 O8 P4 Ru4 -","4","1","","Scrase, Tom G.; O'Neill, Michael J; Peel, Andrew J.; Senior, Paul W.; Matthews, Peter D.; Shi, Heyao; Boss, Sally R.; Barker, Paul D.","Selective Lability of Ruthenium(II) Arene Amino Acid Complexes.","Inorganic chemistry","2015","54","7","3118","3124","10.1021/ic502051y","","","0.71073","MoKα","","0.0519","0.0396","","","0.0938","0.0987","","","","","","1.047","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342723","6.028","0.0001","9.2549","0.0002","26.7467","0.0006","90","","90","","90","","1492.16","0.05","180","2","180","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 F6 N O2 P Ru S -","- C11 H16 F6 N O2 P Ru S -","- C44 H64 F24 N4 O8 P4 Ru4 S4 -","4","1","","Scrase, Tom G.; O'Neill, Michael J; Peel, Andrew J.; Senior, Paul W.; Matthews, Peter D.; Shi, Heyao; Boss, Sally R.; Barker, Paul D.","Selective Lability of Ruthenium(II) Arene Amino Acid Complexes.","Inorganic chemistry","2015","54","7","3118","3124","10.1021/ic502051y","","","0.71073","MoKα","","0.0388","0.0314","","","0.0761","0.0774","","","","","","1.037","","","","has coordinates","179530","2020-10-21","18:00:00",""
"4342799","14.6885","0.0008","17.1772","0.0009","18.11","0.001","90","","90","","90","","4569.3","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H66 B Fe N3 O P2 -","- C49 H66 B Fe N3 O P2 -","- C196 H264 B4 Fe4 N12 O4 P8 -","4","1","","Rivada-Wheelaghan, Orestes; Dauth, Alexander; Leitus, Gregory; Diskin-Posner, Yael; Milstein, David","Synthesis and reactivity of iron complexes with a new pyrazine-based pincer ligand, and application in catalytic low-pressure hydrogenation of carbon dioxide.","Inorganic chemistry","2015","54","9","4526","4538","10.1021/acs.inorgchem.5b00366","","","0.71073","MoKα","","0.0387","0.0302","","","0.0641","0.0669","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4342965","8.1018","0.0006","10.666","0.0007","25.284","0.0016","90","","90","","90","","2184.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Cu N4 O5 -","- C20 H26 Cu N4 O5 -","- C80 H104 Cu4 N16 O20 -","4","1","","Gogoi, Kuldeep; Deka, Hemanta; Kumar, Vikash; Mondal, Biplab","Oxo Transfer from Nitrogen Dioxide to Nitrito Group in a Copper(II) Complex.","Inorganic chemistry","2015","54","10","4799","4805","10.1021/acs.inorgchem.5b00242","","","0.71073","MoKα","","0.0434","0.0362","","","0.0739","0.0755","","","","","","1.073","","","","has coordinates","138120","2020-10-21","18:00:00",""
"4342974","8.5927","0.0015","10.561","0.002","30.457","0.006","90","","90","","90","","2763.9","0.9","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl9 Cu N7 O2 Re2 -","- C13 H13 Cl9 Cu N7 O2 Re2 -","- C52 H52 Cl36 Cu4 N28 O8 Re8 -","4","1","","Martínez-Lillo, José; Armentano, Donatella; Fortea-Pérez, Francisco R; Stiriba, Salah-Eddine; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Faus, Juan","A Chiral, Photoluminescent, and Spin-Canted {Cu(I)Re(IV)2}n Branched Chain.","Inorganic chemistry","2015","54","10","4594","4596","10.1021/acs.inorgchem.5b00502","","","0.71073","MoKα","","0.1086","0.0984","","","0.2343","0.2408","","","","","","1.074","","","","has coordinates","138124","2020-10-21","18:00:00",""
"4343018","14.6121","0.0016","25.397","0.003","27.754","0.003","90","","90","","90","","10300","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Co4-DBU(R)","","","- C108 H105.5 Co4 N11 O15.25 -","- C108 H105.5 Co4 N11 O15.25 -","- C432 H422 Co16 N44 O61 -","4","1","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.71073","MoKα","","0.0712","0.0662","","","0.1778","0.1858","","","","","","1.127","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4343020","12.78","0.003","19.188","0.004","47.313","0.01","90","","90","","90","","11602","4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Co4-Br-DBU(R)","","","- C117 H131 Br6 Co4 N14 O18 -","- C117 H131 Br6 Co4 N14 O18 -","- C468 H524 Br24 Co16 N56 O72 -","4","1","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.71073","MoKα","","0.1152","0.0929","","","0.227","0.2514","","","","","","1.189","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343021","12.583","0.003","19.12","0.004","45.556","0.009","90","","90","","90","","10960","4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Co4-NO2-DIPEA(R)","","","- C110 H120 Co4 N17 O28 -","- C110 H120 Co4 N17 O28 -","- C440 H480 Co16 N68 O112 -","4","1","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.7","SynchrotronRadiation","","0.066","0.0528","","","0.1353","0.1459","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343023","19.547","0.004","19.704","0.004","29.635","0.006","90","","90","","90","","11414","4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Co4-NO2-TBAB(R)","","","- C115 H129 Co4 N16 O27 -","- C115 H129 Co4 N16 O27 -","- C460 H516 Co16 N64 O108 -","4","1","","Zhu, Yuan-Yuan; Zhang, Yi-Quan; Yin, Ting-Ting; Gao, Chen; Wang, Bing-Wu; Gao, Song","A Family of Co(II)Co(III)3 Single-Ion Magnets with Zero-Field Slow Magnetic Relaxation: Fine Tuning of Energy Barrier by Remote Substituent and Counter Cation.","Inorganic chemistry","2015","54","11","5475","5486","10.1021/acs.inorgchem.5b00526","","","0.71073","MoKα","","0.0596","0.0529","","","0.1365","0.155","","","","","","1.169","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343079","12.391","0.0008","14.207","0.0009","23.1981","0.0017","90","","90","","90","","4083.8","0.5","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H44 B5 N2 O6 Sb -","- C42 H44 B5 N2 O6 Sb -","- C168 H176 B20 N8 O24 Sb4 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Lyčka, Antonín; Beckmann, Jens; Ketkov, Sergey","From Stiba- and Bismaheteroboroxines to N,C,N-Chelated Diorganoantimony(III) and Bismuth(III) Cations-An Unexpected Case of Aryl Group Migration.","Inorganic chemistry","2015","54","12","6010","6019","10.1021/acs.inorgchem.5b00893","","","0.71073","MoKα","","0.044","0.0334","","","0.0573","0.0618","","","","","","1.154","","","","has coordinates","140091","2020-10-21","18:00:00",""
"4343080","12.571","0.001","14.106","0.001","23.25","0.003","90","","90","","90","","4122.8","0.7","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H45 B5 Bi N2 O6.5 -","- C42 H45 B5 Bi N2 O6.5 -","- C168 H180 B20 Bi4 N8 O26 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Lyčka, Antonín; Beckmann, Jens; Ketkov, Sergey","From Stiba- and Bismaheteroboroxines to N,C,N-Chelated Diorganoantimony(III) and Bismuth(III) Cations-An Unexpected Case of Aryl Group Migration.","Inorganic chemistry","2015","54","12","6010","6019","10.1021/acs.inorgchem.5b00893","","","0.71073","MoKα","","0.0433","0.0328","","","0.0638","0.0695","","","","","","1.123","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343123","13.3655","0.0003","14.7033","0.0003","26.6592","0.0008","90","","90","","90","","5239","0.2","170","2","170.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H63 N9 O4 U -","- C55 H63 N9 O4 U -","- C220 H252 N36 O16 U4 -","4","1","","Arnold, Polly L.; Pécharman, Anne-Frédérique; Lord, Rianne M.; Jones, Guy M.; Hollis, Emmalina; Nichol, Gary S.; Maron, Laurent; Fang, Jian; Davin, Thomas; Love, Jason B.","Control of oxo-group functionalization and reduction of the uranyl ion.","Inorganic chemistry","2015","54","7","3702","3710","10.1021/acs.inorgchem.5b00420","","x-ray","0.71073","MoKα","","0.0709","0.0517","","","0.0733","0.0791","","","","","","1.04","","","","has coordinates","137914","2020-10-21","18:00:00",""
"4343316","10.1792","0.0004","11.1382","0.0005","20.0312","0.001","90","","90","","90","","2271.1","0.18","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N4 O2 P2 -","- C22 H26 N4 O2 P2 -","- C88 H104 N16 O8 P8 -","4","1","","Shi, Yan X.; Liang, Rong Z.; Martin, Katherine A.; Weston, Nicholas; Gonzalez-Calera, Silvia; Ganguly, Rakesh; Li, Yongxin; Lu, Yunpeng; Ribeiro, António J M; Ramos, Maria J.; Fernandes, Pedro A.; García, Felipe","Synthesis and Hydrolytic Studies on the Air-Stable [(4-CN-PhO)(E)P(μ-N(t)Bu)]2 (E = O, S, and Se) Cyclodiphosphazanes.","Inorganic chemistry","2015","54","13","6423","6432","10.1021/acs.inorgchem.5b00735","","","0.71073","MoKα","","0.0346","0.0304","","","0.0714","0.0773","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343533","9.506","0.0003","17.3013","0.0007","19.4327","0.0007","90","","90","","90","","3196","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Cl3 O3 P Re -","- C32 H35 Cl3 O3 P Re -","- C128 H140 Cl12 O12 P4 Re4 -","4","1","","Abramov, Pavel A.; Gritsan, Nina P.; Suturina, Elizaveta A.; Bogomyakov, Artem S.; Sokolov, Maxim N.","Rhenium Complex with Noninnocent Dioxolene Ligand: Combined Experimental and ab Initio Study of [(3,5-di-tert-Bu2C6H2O2)ReCl3(OPPh3)].","Inorganic chemistry","2015","54","14","6727","6735","10.1021/acs.inorgchem.5b00407","","x-ray","0.71073","MoKα","","0.049","0.0362","","","0.0738","0.0803","","","","","","1.038","","","","has coordinates,has disorder","152832","2020-10-21","18:00:00",""
"4343534","9.506","0.0003","17.3013","0.0007","19.4327","0.0007","90","","90","","90","","3196","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Cl3 O3 P Re -","- C32 H35 Cl3 O3 P Re -","- C128 H140 Cl12 O12 P4 Re4 -","4","1","","Abramov, Pavel A.; Gritsan, Nina P.; Suturina, Elizaveta A.; Bogomyakov, Artem S.; Sokolov, Maxim N.","Rhenium Complex with Noninnocent Dioxolene Ligand: Combined Experimental and ab Initio Study of [(3,5-di-tert-Bu2C6H2O2)ReCl3(OPPh3)].","Inorganic chemistry","2015","54","14","6727","6735","10.1021/acs.inorgchem.5b00407","","x-ray","0.71073","MoKα","","0.0467","0.0366","","","0.0727","0.081","","","","","","1.025","","","","has coordinates,has disorder","152832","2020-10-21","18:00:00",""
"4343565","8.2871","","15.352","","22.873","","90","","90","","90","","2909.98","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Sr6 Sb6 S17","","- S17 Sb6 Sr6 -","- S17 Sb6 Sr6 -","- S68 Sb24 Sr24 -","4","1","","Choi, K.-S.; Kanatzidis, M.G.","Sulfosalts with alkaline earth metals. Centrosymmetric vs acentric interplay in Ba3 Sb4.66 S10 and Ba2.62 Pb1.38 Sb4 S10 based on the Ba/Pb/Sb ratio. Phases related to arsenosulfide minerals of the rathite group and novel polysulfide Sr6 Sb6 S17","Inorganic Chemistry","2000","39","","5655","5662","","","","","","","","","","","","","","","","","","","","","","has coordinates","140572","2020-10-21","18:00:00",""
"4343576","10.169","0.0004","11.0255","0.0004","17.282","0.0006","90","","90","","90","","1937.63","0.12","153","2","153","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 Cl2 F3 N2 O3 S Sb -","- C12 H20 Cl2 F3 N2 O3 S Sb -","- C48 H80 Cl8 F12 N8 O12 S4 Sb4 -","4","1","","Henne, F. D.; Dickschat, A. T.; Hennersdorf, F.; Feldmann, K.-O.; Weigand, J. J.","Synthesis of Selected Cationic Pnictanes [LnPnX3-n](n+) (L = Imidazolium-2-yl; Pn = P, As; n = 1-3) and Replacement Reactions with Pseudohalogens.","Inorganic chemistry","2015","54","14","6849","6861","10.1021/acs.inorgchem.5b00765","","","0.71073","MoKα","","0.0255","0.0237","","","0.0537","0.0545","","","","","","1.021","","","","has coordinates","152818","2020-10-21","18:00:00",""
"4343602","10.2866","","8.0689","","15.0146","","90","","90","","90","","1246.23","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Rh H (N H3)5 (Cl O4)2","","- Cl2 H16 N5 O8 Rh -","- Cl2 H16 N5 O8 Rh -","- Cl8 H64 N20 O32 Rh4 -","4","1","","Coyle, B.A.; Ibers, J.A.","The crystal structure of hydridopentaamminerhodium(III) perchlorate","Inorganic Chemistry","1972","11","","1105","1109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343659","12.117","","8.748","","15.772","","90","","90","","90","","1671.82","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Te2 Se4 (Sb F6)2","","- F12 Sb2 Se4 Te2 -","- F12 Sb2 Se4 Te2 -","- F48 Sb8 Se16 Te8 -","4","1","","Gillespie, R.J.; Maharajh, E.; Luk, W.C.; Slim, D.R.","Preparation and crystal structures of Te3 S3 (As F6)2, Te2 Se4 (Sb F6)2 and Te2 Se4 (As F6)2","Inorganic Chemistry","1977","16","","892","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","145175","2020-10-21","18:00:00",""
"4343660","8.64","","12.012","","15.272","","90","","90","","90","","1584.98","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Te2 Se4 (As F6)2","","- As2 F12 Se4 Te2 -","- As2 F12 Se4 Te2 -","- As8 F48 Se16 Te8 -","4","1","","Gillespie, R.J.; Luk, W.C.; Maharajh, E.; Slim, D.R.","Preparation and crystal structures of Te3 S3 (As F6)2, Te2 Se4 (Sb F6)2 and Te2 Se4 (As F6)2","Inorganic Chemistry","1977","16","","892","896","","","","","","","","","","","","","","","","","","","","","","has coordinates","145176","2020-10-21","18:00:00",""
"4343712","4.963","","5.92","","6.857","","90","","90","","90","","201.465","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Hg (O H) F","","- F H Hg O -","- F Hg O -","- F4 Hg4 O4 -","4","1","","Grdenic, D.; Sikirica, M.","Crystal structure of mercury(II) hydroxide fluoride","Inorganic Chemistry","1973","12","","544","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343785","12.508","","15.196","","5.448","","90","","90","","90","","1035.51","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Re2 O7","","- O7 Re2 -","- O7 Re2 -","- O56 Re16 -","8","2","","Krebs, B.; Mueller, A.; Beyer, H.H.","The crystal structure of rhenium(VII) oxide","Inorganic Chemistry","1969","8","","436","443","","","","","","","","","","","","","","","","","","","","","","has coordinates","149375","2020-10-21","18:00:00",""
"4343964","10.676","0.006","14.087","0.008","24.69","0.015","90","","90","","90","","3713","4","100","2","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H53 F3 N4 O3 P2 S -","- C34 H53 F3 N4 O3 P2 S -","- C136 H212 F12 N16 O12 P8 S4 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study.","Inorganic chemistry","2015","54","15","7636","7644","10.1021/acs.inorgchem.5b01292","","x-ray","0.71073","MoKα","","0.0584","0.0432","","","0.096","0.1021","","","","","","1.069","","","","has coordinates","160492","2020-10-21","18:00:00",""
"4343967","10.467","0.006","17.866","0.01","19.99","0.012","90","","90","","90","","3738","4","100","2","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H37 F3 N4 O3 P2 S -","- C40 H37 F3 N4 O3 P2 S -","- C160 H148 F12 N16 O12 P8 S4 -","4","1","","Roth, Torsten; Vasilenko, Vladislav; Wadepohl, Hubert; Wright, Dominic S.; Gade, Lutz H.","Structures, Electronics, and Reactivity of Strained Phosphazane Cages: A Combined Experimental and Computational Study.","Inorganic chemistry","2015","54","15","7636","7644","10.1021/acs.inorgchem.5b01292","","x-ray","0.71073","MoKα","","0.0528","0.0412","","","0.097","0.1044","","","","","","1.046","","","","has coordinates,has disorder","160492","2020-10-21","18:00:00",""
"4344018","10.27","0.005","18.93","0.01","19.31","0.01","90","","90","","90","","3754","3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Ph2PPrPDIMoI2","Ph2PPrPDIMoI2","","- C39 H41 I2 Mo N3 P2 -","- C39 H41 I2 Mo N3 P2 -","- C156 H164 I8 Mo4 N12 P8 -","4","1","","Pal, Raja; Groy, Thomas L.; Trovitch, Ryan J.","Conversion of Carbon Dioxide to Methanol Using a C-H Activated Bis(imino)pyridine Molybdenum Hydroboration Catalyst.","Inorganic chemistry","2015","54","15","7506","7515","10.1021/acs.inorgchem.5b01102","","","0.71073","MoKα","","0.0708","0.0515","","","0.1166","0.1273","","","","","","1.028","","","","has coordinates","152810","2020-10-21","18:00:00",""
"4344050","8.6511","0.0006","13.3092","0.0009","23.6366","0.0014","90","","90","","90","","2721.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Cl3 N5 O4 Rh -","- C29 H23 Cl3 N5 O4 Rh -","- C116 H92 Cl12 N20 O16 Rh4 -","4","1","","Rajaratnam, Rajathees; Martin, Elisabeth K.; Dörr, Markus; Harms, Klaus; Casini, Angela; Meggers, Eric","Correlation between the Stereochemistry and Bioactivity in Octahedral Rhodium Prolinato Complexes.","Inorganic chemistry","2015","54","16","8111","8120","10.1021/acs.inorgchem.5b01349","","","0.71073","MoKα","","0.0508","0.0358","","","0.0646","0.0686","","","","","","1.012","","","","has coordinates","160504","2020-10-21","18:00:00",""
"4344051","8.6398","0.001","13.3545","0.0014","23.619","0.003","90","","90","","90","","2725.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Cl3 N5 O4 Rh -","- C29 H23 Cl3 N5 O4 Rh -","- C116 H92 Cl12 N20 O16 Rh4 -","4","1","","Rajaratnam, Rajathees; Martin, Elisabeth K.; Dörr, Markus; Harms, Klaus; Casini, Angela; Meggers, Eric","Correlation between the Stereochemistry and Bioactivity in Octahedral Rhodium Prolinato Complexes.","Inorganic chemistry","2015","54","16","8111","8120","10.1021/acs.inorgchem.5b01349","","","0.71073","MoKα","","0.0359","0.0286","","","0.0557","0.0579","","","","","","1.035","","","","has coordinates","160504","2020-10-21","18:00:00",""
"4344097","8.4985","0.0001","15.2084","0.0001","18.599","0.0002","90","","90","","90","","2403.89","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 Ge0 N0 O Sr -","- C24 H40 O Sr -","- C96 H160 O4 Sr4 -","4","1","","Blom, Burgert; Said, Amro; Szilvási, Tibor; Menezes, Prashanth W.; Tan, Gengwen; Baumgartner, Judith; Driess, Matthias","Alkaline-Earth-Metal-Induced Liberation of Rare Allotropes of Elemental Silicon and Germanium from N-Heterocyclic Metallylenes.","Inorganic chemistry","2015","54","17","8840","8848","10.1021/acs.inorgchem.5b01643","","","1.54178","CuKα","","0.0217","0.0208","","","0.0561","0.0568","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4344106","27.31","0.006","28.43","0.006","30.556","0.006","90","","90","","90","","23724","9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C200 H274 Cu6 Mn4 N16 O47 S6 -","- C200 H261 Cu6 Mn4 N16 O47 S6 -","- C800 H1044 Cu24 Mn16 N64 O188 S24 -","4","1","","Grancha, Thais; Mon, Marta; Lloret, Francesc; Ferrando-Soria, Jesús; Journaux, Yves; Pasán, Jorge; Pardo, Emilio","Double Interpenetration in a Chiral Three-Dimensional Magnet with a (10,3)-a Structure.","Inorganic chemistry","2015","54","18","8890","8892","10.1021/acs.inorgchem.5b01738","","","0.7389","","","0.1562","0.1503","","","0.3997","0.413","","","","","","1.987","","","","has coordinates","160484","2020-10-21","18:00:00",""
"4344133","10.26","","13.272","","7.174","","90","","90","","90","","976.889","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","K2 (Sn0.25 Zr0.75) (Si3 O9) (H2 O)","","- H2 K2 O10 Si3 Sn0.25 Zr0.75 -","- K2 O10 Si3 Sn0.25 Zr0.75 -","- K8 O40 Si12 Sn Zr3 -","4","1","","Pertierra, P.; Garcia, J.R.; Salvado, M.A.; Garcia-Granda, S.; Bortun, A.I.; Khainakov, S.A.","Hydrothermal synthesis and structural characterization of frameworkmicroporous mixed tin-zirconium silicates with the structure of umbite","Inorganic Chemistry Communications","2002","5","","824","828","","","","","","","","","","","","","","","","","","","","","","has coordinates","157557","2020-10-21","18:00:00",""
"4344134","10.5","","13.354","","7.2731","","90","","90","","90","","1019.81","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Na2 (Sn0.25 Zr0.75) (Si3 O9) (H2 O)","","- H2 Na2 O10 Si3 Sn0.25 Zr0.75 -","- Na2 O10 Si3 Sn0.25 Zr0.75 -","- Na8 O40 Si12 Sn Zr3 -","4","1","","Pertierra, P.; Salvado, M.A.; Garcia-Granda, S.; Garcia, J.R.; Bortun, A.I.; Khainakov, S.A.","Hydrothermal synthesis and structural characterization of frameworkmicroporous mixed tin-zirconium silicates with the structure of umbite","Inorganic Chemistry Communications","2002","5","","824","828","","","","","","","","","","","","","","","","","","","","","","has coordinates","157559","2020-10-21","18:00:00",""
"4344245","6.527","","7.027","","16.191","","90","","90","","90","","742.604","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C2 F2 O3 -","- C2 F2 O3 -","- C16 F16 O24 -","8","2","","Mayer, F.; Oberhammer, H.; Burgos Paci, M.; Berkei, M.; Pernice, H.; Arguello, G.A.; Willner, H.; Bierbrauer, K.","Structural and conformational properties of fluoroformic acid anhydride, FC(O)OC(O)F","Inorganic Chemistry","2004","43","","8162","8168","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344254","11.084","","16.992","","17.387","","90","","90","","90","","3274.66","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bi6 O4 (O H)4 (Cl O4)6 (H2 O)7","","- Bi6 Cl6 H18 O39 -","- Bi6 Cl6 H18 O39 -","- Bi24 Cl24 H72 O156 -","4","1","","Sundvall, B.","Crystal Structure of Tetraoxotetrahydroxohexabismuth(III) Perchlorate Heptahydrate, Bi6 O4 (H O)4 (Cl O4)6 (H2 O)7: An X-ray and Neutron Diffraction Study","Inorganic Chemistry","1983","22","","1906","1912","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344302","13.119","","9.976","","8.963","","90","","90","","90","","1173.03","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- B14 H20 -","- B14 H20 -","- B56 H80 -","4","1","","Huffman, J.C.; Schaeffer, R.; Moody, D.C.","Studies of Borane. 47. Synthesis and X-ray Crystallographic Study of Tetradecaborane(20)","Inorganic Chemistry","1981","20","","741","745","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4344309","10.14","","11.68","","6.82","","90","","90","","90","","807.728","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Co (N O2)3 (N H3)3","","- Co H9 N6 O6 -","- Co H9 N6 O6 -","- Co4 H36 N24 O24 -","4","1","","Laing, M.; Baines, S.; Sommerville, P.","The Crystal Structure of Trinitrotriamminecobalt(III). A Redetermination","Inorganic Chemistry","1971","10","","1057","1061","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344338","11.786","","9.187","","12.4","","90","","90","","90","","1342.65","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","S7 I Sb F6","","- F6 I S7 Sb -","- F6 I S7 Sb -","- F24 I4 S28 Sb4 -","4","1","","Passmore, J.; Sutherland, G.W.; Taylor, P.; Whidden, T.K.; White, P.S.","Preparations and X-ray Crystal Structures of Iodo-cyclo-heptasulfur Hexafluoroantimonate(V) and Hexafluoroarsenate(V), S7 I Sb F6 and S7 I As F6","Inorganic Chemistry","1981","20","","3839","3845","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344358","10.534","","13.441","","6.911","","90","","90","","90","","978.511","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(N H4)2 (Ru (N O) Cl5)","","- Cl5 H8 N3 O Ru -","- Cl5 H8 N3 O Ru -","- Cl20 H32 N12 O4 Ru4 -","4","1","","Veal, J. T.; Hodgson, D. J.","The Crystal and Molecular Structure of Ammonium Pentachloronitrosylruthenate(II), (N H4)2 (Ru (N O) Cl5)","Inorganic Chemistry","1972","11","","1420","1424","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4344363","8.012","","10.588","","6.687","","90","","90","","90","","567.265","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K2 (Ru (O H)2 O3)","","- H2 K2 O5 Ru -","- K2 O5 Ru -","- K8 O20 Ru4 -","4","1","","Elout, M.O.; Haije, W.G.; Maaskant, W.J.A.","Crystal structure determination of dipotassium dihydroxotrioxoruthenate(VI): configuration of the ruthenate ion and its electronic properties","Inorganic Chemistry","1988","27","","610","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344397","14.3305","0.0004","15.8386","0.0005","40.4713","0.0012","90","","90","","90","","9186","0.5","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H69 Co I N3 P3 Ti -","- C42 H69 Co I N3 P3 Ti -","- C336 H552 Co8 I8 N24 P24 Ti8 -","8","2","","Wu, Bing; Gramigna, Kathryn M.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Heterobimetallic Ti/Co Complexes That Promote Catalytic N-N Bond Cleavage.","Inorganic chemistry","2015","54","22","10909","10917","10.1021/acs.inorgchem.5b01962","","","0.71073","MoKα","","0.0582","0.0415","","0.091","0.0862","0.091","","","","","","0.9695","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344420","9.74106","0.00018","14.7395","0.0006","31.8411","0.0006","90","","90","","90","","4571.7","0.2","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H16 Cl Mn N5 S4 Se -","- C27 H16 Cl Mn N5 S4 Se -","- C108 H64 Cl4 Mn4 N20 S16 Se4 -","4","1","","Wang, Hai-Ying; Wu, Yue; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Crystal Structures, Magnetic Properties, and Electrochemical Properties of Coordination Polymers Based on the Tetra(4-pyridyl)-tetrathiafulvalene Ligand.","Inorganic chemistry","2015","54","22","10766","10775","10.1021/acs.inorgchem.5b01803","","x-ray","1.54184","CuKα","","0.1406","0.124","","","0.3181","0.3366","","","","","","1.253","","","","has coordinates","170786","2020-10-21","18:00:00",""
"4344459","9.1872","0.0008","12.9675","0.0011","22.2115","0.0019","90","","90","","90","","2646.2","0.4","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 I3 La N7 -","- C14 H21 I3 La N7 -","- C56 H84 I12 La4 N28 -","4","1","","Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.","Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.","Inorganic chemistry","2015","54","24","11958","11968","10.1021/acs.inorgchem.5b02291","","","0.71073","MoKα","","0.0331","0.0316","","","0.0859","0.0921","","","","","","1.363","","","","has coordinates","173570","2020-10-21","18:00:00",""
"4344460","9.1581","0.0007","12.9344","0.001","22.1512","0.0016","90","","90","","90","","2623.9","0.3","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Ce I3 N7 -","- C14 H21 Ce I3 N7 -","- C56 H84 Ce4 I12 N28 -","4","1","","Brown, Jessie L.; Davis, Benjamin L.; Scott, Brian L.; Gaunt, Andrew J.","Early-Lanthanide(III) Acetonitrile-Solvento Adducts with Iodide and Noncoordinating Anions.","Inorganic chemistry","2015","54","24","11958","11968","10.1021/acs.inorgchem.5b02291","","","0.71073","MoKα","","0.0308","0.0286","","","0.0842","0.0919","","","","","","1.351","","","","has coordinates","173570","2020-10-21","18:00:00",""
"4344506","18.618","","13.528","","9.151","","90","","90","","90","","2304.81","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Co6 (C2) (C O)14 S","","- C16 Co6 O14 S -","- C16 Co6 O14 S -","- C64 Co24 O56 S4 -","4","1","","Gervasio, G.; Rossetti, R.; Stanghellini, P.L.; Bor, G.","Synthesis and Structure of Co6(mue6-C2)(mue-CO)6(CO)8 (mue4-S): First Example of a Peripheral Dicarbide Metal Carbonyl Cluster","Inorganic Chemistry","1984","23","","2073","2079","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344536","11.017","0.004","15.164","0.006","21.072","0.009","90","","90","","90","","3520","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cl Co N5 O8 -","- C32 H52 Cl Co N5 O8 -","- C128 H208 Cl4 Co4 N20 O32 -","4","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0311","0.0299","","","0.0645","0.065","","","","","","1.112","","","","has coordinates,has disorder","175481","2020-10-21","18:00:00",""
"4344539","14.1722","0.0011","14.4565","0.0011","15.2586","0.0013","90","","90","","90","","3126.2","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl4 Co N4 O6 S2 -","- C25 H33 Cl4 Co N4 O6 S2 -","- C100 H132 Cl16 Co4 N16 O24 S8 -","4","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.0397","0.0371","","","0.0942","0.0952","","","","","","1.246","","","","has coordinates","175481","2020-10-21","18:00:00",""
"4344540","11.4522","0.0014","13.7925","0.0018","17.581","0.002","90","","90","","90","","2777","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl Co N6 O7 -","- C28 H32 Cl Co N6 O7 -","- C112 H128 Cl4 Co4 N24 O28 -","4","1","","Gregoliński, Janusz; Hikita, Masahiro; Sakamoto, Tatsuya; Sugimoto, Hideki; Tsukube, Hiroshi; Miyake, Hiroyuki","Redox-Triggered Helicity Inversion in Chiral Cobalt Complexes in Combination with H(+) and NO3(-) Stimuli.","Inorganic chemistry","2016","55","2","633","643","10.1021/acs.inorgchem.5b01902","","","0.7107","MoKα","","0.046","0.0397","","","0.08","0.0817","","","","","","1.064","","","","has coordinates","175481","2020-10-21","18:00:00",""
"4344683","4.3218","0.0005","11.4472","0.0014","22.914","0.003","90","","90","","90","","1133.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N3 S -","- C13 H11 N3 S -","- C52 H44 N12 S4 -","4","1","","Rahaman, Sk Atiur; Roy, Biswajit; Mandal, Soumik; Bandyopadhyay, Subhajit","A Kamikaze Approach for Capturing Hg(2+) Ions through the Formation of a One-Dimensional Metal-Organometallic Polymer.","Inorganic chemistry","2016","55","3","1069","1075","10.1021/acs.inorgchem.5b02104","","","0.71073","MoKα","","0.0607","0.0531","","","0.1414","0.1462","","","","","","1.142","","","","has coordinates","175569","2020-10-21","18:00:00",""
"4344706","10.514","0.003","11.132","0.003","14.619","0.005","90","","90","","90","","1711","0.9","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Fe N2 O5 S -","- C16 H14 Fe N2 O5 S -","- C64 H56 Fe4 N8 O20 S4 -","4","1","","Song, Li-Cheng; Xu, Kai-Kai; Han, Xiao-Feng; Zhang, Ji-Wei","Synthetic and Structural Studies of 2-Acylmethyl-6-R-Difunctionalized Pyridine Ligand-Containing Iron Complexes Related to [Fe]-Hydrogenase.","Inorganic chemistry","2016","55","3","1258","1269","10.1021/acs.inorgchem.5b02490","","","0.71073","MoKα","","0.0221","0.02","","","0.0399","0.0402","","","","","","1.039","","","","has coordinates","175579","2020-10-21","18:00:00",""
"4344713","9.988","0.003","13.495","0.004","21.085","0.007","90","","90","","90","","2842","1.5","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 Al F36 Li O4 -","- C16 Al F36 Li O4 -","- C64 Al4 F144 Li4 O16 -","4","1","","Zheng, Xin; Zhang, Zaichao; Tan, Gengwen; Wang, Xinping","An Aliphatic Solvent-Soluble Lithium Salt of the Perhalogenated Weakly Coordinating Anion [Al(OC(CCl3)(CF3)2)4](.).","Inorganic chemistry","2016","55","3","1008","1010","10.1021/acs.inorgchem.5b02674","","","0.71073","MoKα","","0.1311","0.0757","","","0.1952","0.2225","","","","","","1.055","","","","has coordinates,has disorder","175582","2020-10-21","18:00:00",""
"4344723","11.3225","0.0005","14.4568","0.0007","18.1231","0.0012","90","","90","","90","","2966.5","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H52 N8 Ti -","- C24 H52 N8 Ti -","- C96 H208 N32 Ti4 -","4","1","","Naktode, Kishor; Das, Suman; Bhattacharjee, Jayeeta; Nayek, Hari Pada; Panda, Tarun K.","Imidazolin-2-iminato Ligand-Supported Titanium Complexes as Catalysts for the Synthesis of Urea Derivatives.","Inorganic chemistry","2016","55","3","1142","1153","10.1021/acs.inorgchem.5b02302","","","1.54184","CuKα","","0.0792","0.0567","","","0.145","0.1564","","","","","","1.074","","","","has coordinates","175592","2020-10-21","18:00:00",""
"4344805","8.3836","0.0012","18.751","0.003","23.344","0.003","90","","90","","90","","3669.7","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 N O9 -","- C38 H27 N O9 -","- C152 H108 N4 O36 -","4","1","","Li, Ling; Wang, Chunyan; Wu, Jianjian; Tse, Yu Chung; Cai, Yue-Peng; Wong, Keith Man-Chung","A Molecular Chameleon with Fluorescein and Rhodamine Spectroscopic Behaviors.","Inorganic chemistry","2015","55","1","205","","10.1021/acs.inorgchem.5b02147","","","0.71073","MoKα","","0.1144","0.0504","","","0.1273","0.1681","","","","","","1.089","","","","has coordinates","175640","2020-10-21","18:00:00",""
"4344831","11.9259","0.0005","13.905","0.0006","26.0856","0.001","90","","90","","90","","4325.8","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H74 N2 O Pt Sn2 -","- C36 H74 N2 O Pt Sn2 -","- C144 H296 N8 O4 Pt4 Sn8 -","4","1","","Koppaka, Anjaneyulu; Yempally, Veeranna; Zhu, Lei; Fortman, George C.; Temprado, Manuel; Hoff, Carl D.; Captain, Burjor","Synthesis of [Pt(SnBu(t)3)(IBu(t))(μ-H)]2, a Coordinatively Unsaturated Dinuclear Compound which Fragments upon Addition of Small Molecules to Form Mononuclear Pt-Sn Complexes.","Inorganic chemistry","2015","55","1","307","","10.1021/acs.inorgchem.5b02441","","","0.71073","MoKα","","0.05","0.0325","","","0.0629","0.0685","","","","","","1.005","","","","has coordinates","175660","2020-10-21","18:00:00",""
"4344867","6.3536","0.0004","19.2147","0.0013","27.2831","0.0014","90","","90","","90","","3330.8","0.4","296","2","296","2","","","","","","","synthesise","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 Cu N2 O3 -","- C36 H45 Cu N2 O3 -","- C144 H180 Cu4 N8 O12 -","4","1","","Ghorai, Samir; Sarmah, Amrit; Roy, Ram Kinkar; Tiwari, Archana; Mukherjee, Chandan","Effect of Geometrical Distortion on the Electronic Structure: Synthesis and Characterization of Monoradical-Coordinated Mononuclear Cu(II) Complexes.","Inorganic chemistry","2016","55","4","1370","1380","10.1021/acs.inorgchem.5b01257","","x-ray","0.71073","MoKα","","0.085","0.0654","","","0.124","0.1338","","","","","","1.07","","","","has coordinates","177188","2020-10-21","18:00:00",""
"4344910","9.413","0.0003","10.1905","0.0003","19.5205","0.0006","90","","90","","90","","1872.47","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-tert-Butoxido-(2,8,9-trioxa-5-aza-3,3,7,7,11,11- tetramethyl-1-stannatricyclo[3.3.3.01,5]undecane)","","- C16 H33 N O4 Sn -","- C16 H33 N O4 Sn -","- C64 H132 N4 O16 Sn4 -","4","1","","Glowacki, Britta; Lutter, Michael; Schollmeyer, Dieter; Hiller, Wolf; Jurkschat, Klaus","Novel Stannatrane N(CH2CMe2O)2(CMe2CH2O)SnO-t-Bu and Related Oligonuclear Tin(IV) Oxoclusters. Two Isomers in One Crystal.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b01429","","x-ray","0.71073","MoKα","","0.0189","0.0178","","","0.0585","0.059","","","","","","1.252","","","","has coordinates","186828","2020-10-21","18:00:00",""
"4344912","14.4599","0.0008","18.5397","0.0009","27.7172","0.0016","90","","90","","90","","7430.5","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H116 N4 O22 Sn6 -","- C60 H108 N4 O22 Sn6 -","- C240 H432 N16 O88 Sn24 -","4","1","","Glowacki, Britta; Lutter, Michael; Schollmeyer, Dieter; Hiller, Wolf; Jurkschat, Klaus","Novel Stannatrane N(CH2CMe2O)2(CMe2CH2O)SnO-t-Bu and Related Oligonuclear Tin(IV) Oxoclusters. Two Isomers in One Crystal.","Inorganic chemistry","2016","","","","","10.1021/acs.inorgchem.6b01429","","x-ray","0.71073","MoKα","","0.1207","0.064","","","0.1077","0.1228","","","","","","0.978","","","","has coordinates","186828","2020-10-21","18:00:00",""
"4344914","4.6731","0.0007","10.696","0.002","11.567","0.002","90","","90","","90","","578.16","0.17","","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H2 K O7 S V -","- K O7 S V -","- K4 O28 S4 V4 -","4","1","","Richter, Kurt-Ludvig; Mattes, Rainer","Hydrated phases in the V2O5-K2O-SO3-H2O system. Preparation and structures of K[VO2(SO4)(H2O)] and K[VO2(SO4)(H2O)2].H2O","Inorganic Chemistry","1991","30","","4367","4369","10.1021/ic00023a015","","x-ray","0.71069","MoKα","","","0.027","","","0.042","","","","","","","","","","","has coordinates","188057","2020-10-21","18:00:00",""
"4345000","9.4262","0.0003","15.5922","0.0007","17.577","0.0008","90","","90","","90","","2583.38","0.18","143","","143","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Ir N2 O2 S -","- C31 H27 Ir N2 O2 S -","- C124 H108 Ir4 N8 O8 S4 -","4","1","","Yao, Su-Yang; Chen, Xing-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Chiral Recognition and Dynamic Thermodynamic Resolution of Sulfoxides by Chiral Iridium(III) Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02494","","","1.54178","CuKα","","0.0493","0.0439","","","0.117","0.1236","","","","","","1.114","","","","has coordinates","189905","2020-10-21","18:00:00",""
"4345001","9.41597","0.00013","15.5922","0.0002","17.5922","0.0003","90","","90","","90","","2582.81","0.07","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Ir N2 O2 S -","- C31 H27 Ir N2 O2 S -","- C124 H108 Ir4 N8 O8 S4 -","4","1","","Yao, Su-Yang; Chen, Xing-Yang; Ou, Yan-Ling; Ye, Bao-Hui","Chiral Recognition and Dynamic Thermodynamic Resolution of Sulfoxides by Chiral Iridium(III) Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b02494","","","1.54178","CuKα","","0.0227","0.0222","","","0.0563","0.0567","","","","","","1.073","","","","has coordinates","189905","2020-10-21","18:00:00",""
"4345029","7.953","0.0006","15.1091","0.0012","16.3803","0.0012","90","","90","","90","","1968.3","0.3","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N2 O5 Re -","- C20 H20 Cl N2 O5 Re -","- C80 H80 Cl4 N8 O20 Re4 -","4","1","","Liu, Jinyong; Su, Xiaoge; Han, Mengwei; Wu, Dimao; Gray, Danielle L.; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Ligand Design for Isomer-Selective Oxorhenium(V) Complex Synthesis.","Inorganic chemistry","2017","56","3","1757","1769","10.1021/acs.inorgchem.6b03076","","","0.71073","MoKα","","0.0289","0.0258","","","0.0574","0.0588","","","","","","1.033","","","","has coordinates","193455","2020-10-21","18:00:00",""
"4345045","13.531","0.0004","15.7064","0.0004","15.8985","0.0004","90","","90","","90","","3378.8","0.16","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cu Dy N6 O10 -","- C34 H31 Cu Dy N6 O10 -","- C136 H124 Cu4 Dy4 N24 O40 -","4","1","","Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari","Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2017","56","3","1679","1695","10.1021/acs.inorgchem.6b02668","","","0.71075","MoKα","","","0.0414","","","","0.0813","","","","","","0.913","","","","has coordinates","193437","2020-10-21","18:00:00",""
"4345062","12.0551","0.0007","14.0115","0.0008","23.6059","0.0013","90","","90","","90","","3987.3","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 B2 F11 Fe2 N8 -","- C36 H50 B2 F11 Fe2 N8 -","- C144 H200 B8 F44 Fe8 N32 -","4","1","","Dammers, Susanne; Zimmermann, Thomas Philipp; Walleck, Stephan; Stammler, Anja; Bögge, Hartmut; Bill, Eckhard; Glaser, Thorsten","A Mixed-Valence Fluorido-Bridged Fe(II)Fe(III) Complex.","Inorganic chemistry","2017","56","4","1779","1782","10.1021/acs.inorgchem.6b03093","","","0.71073","MoKα","","0.0292","0.0271","","","0.0686","0.0695","","","","","","1.08","","","","has coordinates","193417","2020-10-21","18:00:00",""
"4345086","11.5921","0.0001","13.8526","0.0001","21.0122","0.0002","90","","90","","90","","3374.15","0.05","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 N5 O2 Os P -","- C40 H28 N5 O2 Os P -","- C160 H112 N20 O8 Os4 P4 -","4","1","","Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Lau, Tai-Chu","Dual Pathways in the Oxidation of an Osmium(III) Guanidine Complex. Formation of Osmium(VI) Nitrido and Osmium Nitrosyl Complex.","Inorganic chemistry","2017","56","4","2022","2028","10.1021/acs.inorgchem.6b02645","","","1.5418","CuKα","","0.0152","0.0148","","","0.037","0.0371","","","","","","1.098","","","","has coordinates","193412","2020-10-21","18:00:00",""
"4345087","11.5597","0.0002","14.1233","0.0002","20.9986","0.0003","90","","90","","90","","3428.25","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 N5 O3 Os P -","- C40 H28 N5 O3 Os P -","- C160 H112 N20 O12 Os4 P4 -","4","1","","Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Lau, Tai-Chu","Dual Pathways in the Oxidation of an Osmium(III) Guanidine Complex. Formation of Osmium(VI) Nitrido and Osmium Nitrosyl Complex.","Inorganic chemistry","2017","56","4","2022","2028","10.1021/acs.inorgchem.6b02645","","","1.54184","CUKα","","0.0209","0.0206","","","0.0537","0.0539","","","","","","1.064","","","","has coordinates","193412","2020-10-21","18:00:00",""
"4345180","4.5663","0.0002","12.8097","0.0007","24.477","0.0011","90","","90","","90","","1431.73","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 Ag2 I3 N2 S -","- C7 H7 Ag2 I3 N2 S -","- C28 H28 Ag8 I12 N8 S4 -","4","1","","Liu, Guang-Ning; Jiang, Xiao-Ming; Fan, Qing-Shun; Hussain, Muhammad Bilal; Li, Ke; Sun, Hui; Li, Xin-Yu; Liu, Wan-Qing; Li, Cuncheng","Water Stability Studies of Hybrid Iodoargentates Containing N-Alkylated or N-Protonated Structure Directing Agents: Exploring Noncentrosymmetric Hybrid Structures.","Inorganic chemistry","2017","56","4","1906","1918","10.1021/acs.inorgchem.6b02478","","","0.71073","MoKα","","0.0464","0.0349","","","0.0835","0.0943","","","","","","1.02","","","","has coordinates","211418","2020-10-21","18:00:00",""
"4345242","15.1399","0.0015","16.345","0.002","23.168","0.003","90","","90","","90","","5733.2","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H87 Cl N4 P2 Pt -","- C58 H87 Cl N4 P2 Pt -","- C232 H348 Cl4 N16 P8 Pt4 -","4","1","","Nickolaus, Jan; Imbrich, Dominik A.; Schlindwein, Simon H.; Geyer, Adrian H.; Nieger, Martin; Gudat, Dietrich","Phosphenium Hydride Reduction of [(cod)MX2] (M = Pd, Pt; X = Cl, Br): Snapshots on the Way to Phosphenium Metal(0) Halides and Synthesis of Metal Nanoparticles.","Inorganic chemistry","2017","56","5","3071","3080","10.1021/acs.inorgchem.7b00022","","","0.71073","MoKα","","0.1028","0.0528","","","0.0869","0.102","","","","","","1.009","","","","has coordinates","194798","2020-10-21","18:00:00",""
"4345283","10.2497","0.0002","14.5802","0.0003","19.211","0.0004","90","","90","","90","","2870.94","0.1","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H33 B12 Br6 N3 -","- C11 H33 B12 Br6 N3 -","- C44 H132 B48 Br24 N12 -","4","1","","Bertocco, Philipp; Derendorf, Janis; Jenne, Carsten; Kirsch, Christoph","Improving the Solubility of Halogenated 1-Ammonio-closo-dodecaborate Anions.","Inorganic chemistry","2017","56","6","3459","3466","10.1021/acs.inorgchem.6b03006","","x-ray","0.71073","MoKα","","0.0351","0.0274","","","0.0433","0.0456","","","","","","0.967","","","","has coordinates","194822","2020-10-21","18:00:00",""
"4345349","4.810648","0.000008","11.91795","0.00003","18.67516","0.00004","90","","90","","90","","1070.7","0.004","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cu2 K2 O12 S3 -","- Cu2 K2 O12 S3 -","- Cu8 K8 O48 S12 -","4","1","","Lander, Laura; Rousse, Gwenaëlle; Batuk, Dmitry; Colin, Claire V.; Dalla Corte, Daniel Alves; Tarascon, Jean-Marie","Synthesis, Structure, and Electrochemical Properties of K-Based Sulfates K2M2(SO4)3 with M = Fe and Cu.","Inorganic chemistry","2017","56","4","2013","2021","10.1021/acs.inorgchem.6b02526","powder diffraction","","0.4142","synchrotron","","","","","","","","","4.8369","","","","","","","","has coordinates","192902","2020-10-21","18:00:00",""
"4345392","10.5113","0.0003","14.3575","0.0004","21.2636","0.0006","90","","90","","90","","3209.02","0.16","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cu N4 Na O4 -","- C34 H31 Cu N4 Na O4 -","- C136 H124 Cu4 N16 Na4 O16 -","4","1","","Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari","Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2017","56","3","1679","1695","10.1021/acs.inorgchem.6b02668","","","0.71075","MoKα","","","0.0325","","","","0.0466","","","","","","1.03","","","","has coordinates","192950","2020-10-21","18:00:00",""
"4345393","13.478","0.004","15.682","0.005","15.861","0.004","90","","90","","90","","3352.4","1.7","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cu N6 O10 Tb -","- C34 H31 Cu N6 O10 Tb -","- C136 H124 Cu4 N24 O40 Tb4 -","4","1","","Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari","Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2017","56","3","1679","1695","10.1021/acs.inorgchem.6b02668","","","0.71075","MoKα","","0.0206","0.0188","","","0.0595","0.0676","","","","","","1.142","","","","has coordinates","192951","2020-10-21","18:00:00",""
"4345394","13.4892","0.0004","15.7803","0.0004","15.8966","0.0005","90","","90","","90","","3383.81","0.17","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cu Gd N6 O10 -","- C34 H31 Cu Gd N6 O10 -","- C136 H124 Cu4 Gd4 N24 O40 -","4","1","","Ueno, Takahiro; Fujinami, Takeshi; Matsumoto, Naohide; Furusawa, Masaki; Irie, Ryo; Re, Nazzareno; Kanetomo, Takuya; Ishida, Takayuki; Sunatsuki, Yukinari","Circular and Chainlike Copper(II)-Lanthanide(III) Complexes Generated by Assembly Reactions of Racemic and Chiral Copper(II) Cross-Linking Ligand Complexes with Ln(III)(NO3)3·6H2O (Ln(III) = Gd(III), Tb(III), Dy(III)).","Inorganic chemistry","2017","56","3","1679","1695","10.1021/acs.inorgchem.6b02668","","","0.71075","MoKα","","","0.0418","","","","0.0809","","","","","","0.952","","","","has coordinates","192952","2020-10-21","18:00:00",""
"4345419","8.8464","0.0003","10.582","0.0002","22.7846","0.001","90","","90","","90","","2132.93","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Cd O13 U -","- C16 H26 Cd O13 U -","- C64 H104 Cd4 O52 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Coordination Polymers and Cage-Containing Frameworks in Uranyl Ion Complexes with rac- and (1R,2R)-trans-1,2-Cyclohexanedicarboxylates: Consequences of Chirality.","Inorganic chemistry","2017","56","3","1455","1469","10.1021/acs.inorgchem.6b02537","","","0.71073","MoKα","","0.0323","0.0268","","","0.0715","0.0735","","","","","","1.027","","","","has coordinates","192966","2020-10-21","18:00:00",""
"4345424","7.6087","0.001","8.7312","0.0012","16.561","0.002","90","","90","","90","","1100.2","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2 MeOH","","","- C9 H10 N O7 V -","- C9 H10 N O7 V -","- C36 H40 N4 O28 V4 -","4","1","","Schmidt, Anna-Corina; Hermsen, Marko; Rominger, Frank; Dehn, Richard; Teles, Joaquim Henrique; Schäfer, Ansgar; Trapp, Oliver; Schaub, Thomas","Synthesis of Mono- and Dinuclear Vanadium Complexes and Their Reactivity toward Dehydroperoxidation of Alkyl Hydroperoxides.","Inorganic chemistry","2017","56","3","1319","1332","10.1021/acs.inorgchem.6b02322","","","0.71073","MoKα","","0.0333","0.029","","","0.0608","0.0643","","","","","","1.111","","","","has coordinates","192967","2020-10-21","18:00:00",""
"4345508","9.0583","0.0005","13.878","0.0008","45.661","0.003","90","","90","","90","","5740.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H8 Mn N2 O8 Re -","- C18 H8 Mn N2 O8 Re -","- C216 H96 Mn12 N24 O96 Re12 -","12","3","","Li, Zhi; Pierri, Agustin E.; Huang, Po-Ju; Wu, Guang; Iretskii, Alexei V.; Ford, Peter C.","Dinuclear PhotoCORMs: Dioxygen-Assisted Carbon Monoxide Uncaging from Long-Wavelength-Absorbing Metal‒Metal-Bonded Carbonyl Complexes","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.6b03138","","","0.71073","MoKα","","0.0795","0.0531","","","0.1118","0.1242","","","","","","0.933","","","","has coordinates","193987","2020-10-21","18:00:00",""
"4345531","10.7364","0.0013","13.0536","0.0015","22.849","0.003","90","","90","","90","","3202.3","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Dy F9 O8 -","- C30 H22 Dy F9 O8 -","- C120 H88 Dy4 F36 O32 -","4","1","","Cen, Pei-Pei; Zhang, Sheng; Liu, Xiang-Yu; Song, Wei-Ming; Zhang, Yi-Quan; Xie, Gang; Chen, San-Ping","Electrostatic Potential Determined Magnetic Dynamics Observed in Two Mononuclear β-Diketone Dysprosium(III) Single-Molecule Magnets.","Inorganic chemistry","2017","56","6","3644","3656","10.1021/acs.inorgchem.7b00057","","","0.71073","MoKα","","0.057","0.0394","","","0.0669","0.0725","","","","","","0.966","","","","has coordinates","194810","2020-10-21","18:00:00",""
"4345571","14.1385","0.0007","16.4928","0.0008","21.4412","0.001","90","","90","","90","","4999.7","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H76 Cl3 N6 O2 P3 Pt3 -","- C38 H76 Cl3 N6 O2 P3 Pt3 -","- C152 H304 Cl12 N24 O8 P12 Pt12 -","4","1","","Nickolaus, Jan; Imbrich, Dominik A.; Schlindwein, Simon H.; Geyer, Adrian H.; Nieger, Martin; Gudat, Dietrich","Phosphenium Hydride Reduction of [(cod)MX2] (M = Pd, Pt; X = Cl, Br): Snapshots on the Way to Phosphenium Metal(0) Halides and Synthesis of Metal Nanoparticles.","Inorganic chemistry","2017","56","5","3071","3080","10.1021/acs.inorgchem.7b00022","","","0.71073","MoKα","","0.0402","0.0297","","","0.0615","0.0644","","","","","","1.034","","","","has coordinates","194701","2020-10-21","18:00:00",""
"4345576","10.596","0.004","10.832","0.005","19.906","0.008","90","","90","","90","","2284.7","1.6","100","2","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl N3 Ni O2 -","- C22 H34 Cl N3 Ni O2 -","- C88 H136 Cl4 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0277","0.0237","","","0.0573","0.0589","","","","","","1.038","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345579","9.772","0.004","11.822","0.005","19.955","0.008","90","","90","","90","","2305.3","1.6","100","2","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Br N3 Ni O2 -","- C22 H34 Br N3 Ni O2 -","- C88 H136 Br4 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0227","0.0192","","","0.043","0.0438","","","","","","1.009","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345580","9.797","0.004","11.919","0.005","20.149","0.008","90","","90","","90","","2352.8","1.7","100","2","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 I N3 Ni O2 -","- C22 H34 I N3 Ni O2 -","- C88 H136 I4 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0165","0.0155","","","0.0356","0.036","","","","","","1.059","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345581","8.936","0.004","13.257","0.006","19.731","0.009","90","","90","","90","","2337.4","1.8","100","2","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 N6 Ni O2 -","- C22 H34 N6 Ni O2 -","- C88 H136 N24 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0326","0.0281","","","0.067","0.0688","","","","","","1.071","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345582","9.44821","0.00009","10.20805","0.00009","25.8807","0.0002","90","","90","","90","","2496.14","0.04","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 N3 Ni O2 -","- C24 H39 N3 Ni O2 -","- C96 H156 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0289","0.0257","","","0.0584","0.0596","","","","","","1.048","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345583","11.44998","0.00017","14.0215","0.0002","17.5861","0.0003","90","","90","","90","","2823.38","0.08","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H45 N3 Ni O2 Si -","- C26 H45 N3 Ni O2 Si -","- C104 H180 N12 Ni4 O8 Si4 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0369","0.0309","","","0.0655","0.0678","","","","","","1.043","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345585","9.068","0.004","13.448","0.007","22.127","0.011","90","","90","","90","","2698","2","100","2","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 N3 Ni O2 -","- C30 H39 N3 Ni O2 -","- C120 H156 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0432","0.0331","","","0.0669","0.0707","","","","","","1.029","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345586","8.92444","0.0001","13.18377","0.00017","19.0512","0.0002","90","","90","","90","","2241.52","0.04","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N3 Ni O2 -","- C22 H35 N3 Ni O2 -","- C88 H140 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0335","0.0312","","","0.0692","0.07","","","","","","1.122","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345588","8.02343","0.00016","12.8832","0.0003","17.6864","0.0003","90","","90","","90","","1828.2","0.06","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl N3 Ni O2 -","- C18 H24 Cl N3 Ni O2 -","- C72 H96 Cl4 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0526","0.0431","","","0.0771","0.08","","","","","","1.116","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345590","8.25806","0.00004","12.98362","0.00008","17.61718","0.00009","90","","90","","90","","1888.91","0.018","110","1","110","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Br N3 Ni O2 -","- C18 H26 Br N3 Ni O2 -","- C72 H104 Br4 N12 Ni4 O8 -","4","1","","Wenz, Jan; Kochan, Alexander; Wadepohl, Hubert; Gade, Lutz H.","A Readily Accessible Chiral NNN Pincer Ligand with a Pyrrole Backbone and Its Ni(II) Chemistry: Syntheses, Structural Chemistry, and Bond Activations.","Inorganic chemistry","2017","56","6","3631","3643","10.1021/acs.inorgchem.7b00077","","x-ray","0.71073","MoKα","","0.0173","0.0162","","","0.0381","0.0384","","","","","","1.094","","","","has coordinates","194705","2020-10-21","18:00:00",""
"4345592","10.9598","0.0003","19.6153","0.0006","22.1528","0.0007","90","","90","","90","","4762.4","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H54 Cl N O P2 Ru S -","- C56 H54 Cl N O P2 Ru S -","- C224 H216 Cl4 N4 O4 P8 Ru4 S4 -","4","1","","Maity, Suvendu; Kundu, Suman; Mondal, Sandip; Bera, Sachinath; Ghosh, Prasanta","Molecular and Electronic Structures of Ruthenium Complexes Containing an ONS-Coordinated Open-Shell π Radical and an Oxidative Aromatic Ring Cleavage Reaction.","Inorganic chemistry","2017","56","6","3363","3376","10.1021/acs.inorgchem.6b02862","","","0.71073","MoKα","","0.0603","0.0481","","","0.1009","0.1101","","","","","","0.894","","","","has coordinates","194707","2020-10-21","18:00:00",""
"4345662","6.4338","0.0004","13.1595","0.0008","14.176","0.0013","90","","90","","90","","1200.22","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2-Dimethyl-2-hydroxypropyl)(1-dimethyl-2-hydroxypropyl) (hydroxyethyl)amine","","- C10 H23 N O3 -","- C10 H23 N O3 -","- C40 H92 N4 O12 -","4","1","","Glowacki, Britta; Lutter, Michael; Alnasr, Hazem; Seymen, Rana; Hiller, Wolf; Jurkschat, Klaus","Introducing Stereogenic Centers to Group XIV Metallatranes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b03126","","","0.71073","MoKα","","0.0351","0.0328","","","0.083","0.0842","","","","","","1.345","","","","has coordinates","195331","2020-10-21","18:00:00",""
"4345664","7.0878","0.0003","15.2637","0.0013","27.1491","0.0013","90","","90","","90","","2937.2","0.3","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 N O7 Sn -","- C29 H45 N O7 Sn -","- C116 H180 N4 O28 Sn4 -","4","1","","Glowacki, Britta; Lutter, Michael; Alnasr, Hazem; Seymen, Rana; Hiller, Wolf; Jurkschat, Klaus","Introducing Stereogenic Centers to Group XIV Metallatranes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b03126","","x-ray","0.71073","MoKα","","0.0681","0.0491","","","0.1098","0.1196","","","","","","1.049","","","","has coordinates","195331","2020-10-21","18:00:00",""
"4345666","9.0471","0.0003","11.6291","0.0004","12.3359","0.0005","90","","90","","90","","1297.86","0.08","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-Bromido-(2,8,9-trioxa-5-aza-3,3,6,6-tetramethyl-1-germatricyclo[3.3.3.01,5]undecane)","","- C10 H20 Br Ge N O3 -","- C10 H20 Br Ge N O3 -","- C40 H80 Br4 Ge4 N4 O12 -","4","1","","Glowacki, Britta; Lutter, Michael; Alnasr, Hazem; Seymen, Rana; Hiller, Wolf; Jurkschat, Klaus","Introducing Stereogenic Centers to Group XIV Metallatranes.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.6b03126","","x-ray","0.71073","MoKα","","0.0602","0.054","","","0.1355","0.1408","","","","","","1.066","","","","has coordinates","195331","2020-10-21","18:00:00",""
"4345734","14.8979","0.0003","19.1466","0.0003","25.3158","0.0003","90","","90","","90","","7221.2","0.2","173","0.14","173.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C69 H85 Cl2 Co N5 O12 P3 Ru2 -","- C69 H83 Cl2 Co N5 O12 P3 Ru2 -","- C276 H332 Cl8 Co4 N20 O48 P12 Ru8 -","4","1","","Cheung, Wai-Man; Chiu, Wai-Hang; de Vere-Tucker, Matthew; Sung, Herman H.-Y.; Williams, Ian D.; Leung, Wa-Hung","Heterobimetallic Nitrido Complexes of Group 8 Metalloporphyrins","Inorganic Chemistry","2017","","","","","10.1021/acs.inorgchem.7b00281","","x-ray","1.54178","CuKα","","0.0329","0.0305","","","0.0706","0.0722","","","","","","1.012","","","","has coordinates","195661","2020-10-21","18:00:00",""
"4345738","12.598","0.003","18.186","0.004","20.913","0.004","90","","90","","90","","4791.3","1.8","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H68 Hf3 N6 O33 -","- C28 H68 Hf3 N6 O33 -","- C112 H272 Hf12 N24 O132 -","4","1","","Berger, Markus; Bauser, Marcus; Frenzel, Thomas; Hilger, Christoph Stephan; Jost, Gregor; Lauria, Silvia; Morgenstern, Bernd; Neis, Christian; Pietsch, Hubertus; Sülzle, Detlev; Hegetschweiler, Kaspar","Hafnium-Based Contrast Agents for X-ray Computed Tomography.","Inorganic chemistry","2017","56","10","5757","5761","10.1021/acs.inorgchem.7b00359","","","0.71073","MoKα","","0.0156","0.0154","","","0.0367","0.0368","","","","","","1.168","","","","has coordinates","197393","2020-10-21","18:00:00",""
"4345743","13.675","0.004","13.785","0.004","23.598","0.006","90","","90","","90","","4448","2","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37.55 Cl N6 O3 Re -","- C32 H37.545 Cl N6 O3 Re -","- C128 H150.18 Cl4 N24 O12 Re4 -","4","1","","Suntrup, Lisa; Klenk, Sinja; Klein, Johannes; Sobottka, Sebastian; Sarkar, Biprajit","Gauging Donor/Acceptor Properties and Redox Stability of Chelating Click-Derived Triazoles and Triazolylidenes: A Case Study with Rhenium(I) Complexes.","Inorganic chemistry","2017","56","10","5771","5783","10.1021/acs.inorgchem.7b00393","","","0.71073","MoKα","","0.0463","0.0333","","","0.0735","0.0792","","","","","","1.032","","","","has coordinates,has disorder","197397","2020-10-21","18:00:00",""
"4345760","15.9175","0.0009","17.1766","0.0009","21.6397","0.0011","90","","90","","90","","5916.5","0.5","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H35 Eu F18 O10 P2 -","- C59 H35 Eu F18 O10 P2 -","- C236 H140 Eu4 F72 O40 P8 -","4","1","","Koiso, Naoyuki; Kitagawa, Yuichi; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","Eu(III) Chiral Coordination Polymer with a Structural Transformation System.","Inorganic chemistry","2017","56","10","5741","5747","10.1021/acs.inorgchem.7b00337","","","0.71075","MoKα","","0.1792","0.068","","","0.0847","0.1075","","","","","","1","","","","has coordinates","197399","2020-10-21","18:00:00",""
"4345801","10.5338","0.0001","14.2032","0.0002","15.2605","0.0002","90","","90","","90","","2283.18","0.05","130","0.1","130","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N4 O3 Re -","- C25 H23 N4 O3 Re -","- C100 H92 N16 O12 Re4 -","4","1","","Arévalo, Rebeca; Riera, Lucía; Pérez, Julio","Interligand C-C Coupling between α-Methyl N-Heterocycles and bipy or phen at Rhenium Tricarbonyl Complexes.","Inorganic chemistry","2017","56","8","4249","4252","10.1021/acs.inorgchem.7b00078","","","1.54184","CuKα","","0.0246","0.0237","","","0.0584","0.0588","","","","","","1.25","","","","has coordinates,has disorder","195976","2020-10-21","18:00:00",""
"4345823","10.69","0.003","16.365","0.004","18.851","0.005","90","","90","","90","","3297.8","1.5","150","","150","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 B Cu F4 N2 O P -","- C35 H39 B Cu F4 N2 O P -","- C140 H156 B4 Cu4 F16 N8 O4 P4 -","4","1","","Hasegawa, Tatsuya; Kobayashi, Atsushi; Ohara, Hiroki; Yoshida, Masaki; Kato, Masako","Emission Tuning of Luminescent Copper(I) Complexes by Vapor-Induced Ligand Exchange Reactions.","Inorganic chemistry","2017","56","9","4928","4936","10.1021/acs.inorgchem.6b03122","","","0.71075","MoKα","","0.0815","0.0618","","","0.1631","0.1806","","","","","","1.04","","","","has coordinates","195991","2020-10-21","18:00:00",""
"4345841","17.5788","0.0006","18.3829","0.0006","22.6662","0.0008","90","","90","","90","","7324.6","0.4","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H37 Cl Ir N3 -","- C36 H37 Cl Ir N3 -","- C288 H296 Cl8 Ir8 N24 -","8","2","","Hierlinger, Claus; Roisnel, Thierry; Cordes, David B.; Slawin, Alexandra M. Z.; Jacquemin, Denis; Guerchais, Véronique; Zysman-Colman, Eli","An Unprecedented Family of Luminescent Iridium(III) Complexes Bearing a Six-Membered Chelated Tridentate C^N^C Ligand.","Inorganic chemistry","2017","56","9","5182","5188","10.1021/acs.inorgchem.7b00328","","x-ray","0.71073","MoKα","","0.0639","0.0541","","","0.1249","0.1329","","","","","","1.182","","","","has coordinates,has disorder","196002","2020-10-21","18:00:00",""
"4345884","13.9994","0.0003","15.4896","0.0003","15.7389","0.0003","90","","90","","90","","3412.9","0.12","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 O4 P2 -","- C44 H32 O4 P2 -","- C176 H128 O16 P8 -","4","1","","Koiso, Naoyuki; Kitagawa, Yuichi; Nakanishi, Takayuki; Fushimi, Koji; Hasegawa, Yasuchika","Eu(III) Chiral Coordination Polymer with a Structural Transformation System.","Inorganic chemistry","2017","56","10","5741","5747","10.1021/acs.inorgchem.7b00337","","","0.71075","MoKα","","0.0314","0.0283","","","0.0728","0.0883","","","","","","1","","","","has coordinates","197231","2020-10-21","18:00:00",""
"4345932","6.1845","0.0003","18.1622","0.0008","20.0419","0.0007","90","","90","","90","","2251.19","0.17","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Cu F10 N2 -","- C24 H15 Cu F10 N2 -","- C96 H60 Cu4 F40 N8 -","4","1","","Hicken, Alexandra; White, Andrew J. P.; Crimmin, Mark R.","Reversible Coordination of Boron-, Aluminum-, Zinc-, Magnesium-, and Calcium-Hydrogen Bonds to Bent {CuL2} Fragments: Heavy σ Complexes of the Lightest Coinage Metal.","Inorganic chemistry","2017","56","15","8669","8682","10.1021/acs.inorgchem.7b00182","","","0.71073","MoKα","","0.0518","0.0368","","","0.0645","0.0701","","","","","","1.047","","","","has coordinates,has disorder","200656","2020-10-21","18:00:00",""
"4345965","10.33101","0.00009","12.83882","0.00012","13.61886","0.00013","90","","90","","90","","1806.38","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 I2 P -","- C18 H15 I2 P -","- C72 H60 I8 P4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.0163","0.0162","","","0.0368","0.0369","","","","","","1.123","","","","has coordinates","204145","2020-10-21","18:00:00",""
"4345973","18.399","0.0002","12.17869","0.00014","9.99371","0.00012","90","","90","","90","","2239.35","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 I3 N P -","- C20 H19 I3 N P -","- C80 H76 I12 N4 P4 -","4","1","","Borys, Andryj M.; Clark, Ewan R.","Adducts of Donor-Functionalized Ar3P with the Soft Lewis Acid I2: Probing Simultaneous Lewis Acidity and Basicity at Internally Solvated P(III) Centers.","Inorganic chemistry","2017","","","","","10.1021/acs.inorgchem.7b00278","","x-ray","0.71073","MoKα","","0.0256","0.0253","","","0.0703","0.0706","","","","","","1.125","","","","has coordinates","204145","2020-10-21","18:00:00",""
"4345978","13.1353","0.0006","14.9499","0.0006","21.8393","0.001","90","","90","","90","","4288.6","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 Cl11 Sb2 -","- C29 H33 Cl11 Sb2 -","- C116 H132 Cl44 Sb8 -","4","1","","Yang, Mengxi; Gabbaï, François P","Synthesis and Properties of Triarylhalostibonium Cations.","Inorganic chemistry","2017","56","15","8644","8650","10.1021/acs.inorgchem.7b00293","","","0.71073","MoKα","","0.0812","0.052","","","0.1239","0.1421","","","","","","1.032","","","","has coordinates","200152","2020-10-21","18:00:00",""
"4345998","9.4765","0.0007","15.3112","0.0012","18.378","0.0014","90","","90","","90","","2666.6","0.4","141","2","141","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N4 O S4 U -","- C24 H24 N4 O S4 U -","- C96 H96 N16 O4 S16 U4 -","4","1","","Andrew J. Gaunt; Brian L. Scott; Mary P. Neu","U(IV) Chalcogenolates Synthesized via Oxidation of Uranium Metal by Dichalcogenides","Inorganic Chemistry","2006","45","","7401","7407","10.1021/ic060560k","","","0.71073","MoKα","","0.0141","0.0136","","","0.0348","0.0349","","","","","","0.845","","","","has coordinates","231085","2020-10-21","18:00:00",""
"4346041","15.6511","0.0002","17.8306","0.0002","26.7297","0.0004","90","","90","","90","","7459.42","0.17","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C67 H92 Ge3 N6 O9 Ru3 -","- C67 H92 Ge3 N6 O9 Ru3 -","- C268 H368 Ge12 N24 O36 Ru12 -","4","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Pérez-Carreño, Enrique; Polo, Diego","Amidinatogermylene derivatives of ruthenium carbonyl: new insights into the reactivity of [Ru3(CO)12] with two-electron-donor reagents of high basicity.","Inorganic chemistry","2015","54","6","2983","2994","10.1021/acs.inorgchem.5b00084","","","1.5418","CuKα","","0.0329","0.0287","","","0.0655","0.0685","","","","","","1.025","","","","has coordinates,has disorder","231590","2020-10-21","18:00:00",""
"4346090","8.032","0.0006","10.4016","0.0008","23.3623","0.0017","90","","90","","90","","1951.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Cs2 O18 V2 -","- C8 H14 Cs2 O18 V2 -","- C32 H56 Cs8 O72 V8 -","4","1","","Cortese, Anthony J.; Wilkins, Branford; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Crystal growth of four oxovanadium(IV) tartrates prepared via a mild two-step hydrothermal method: observation of spin-dimer behavior and second harmonic generation.","Inorganic chemistry","2015","54","8","4011","4020","10.1021/acs.inorgchem.5b00275","","","0.71073","MoKα","","0.0223","0.021","","","0.0478","0.0487","","","","","","1.06","","","","has coordinates","231613","2020-10-21","18:00:00",""
"4346091","7.9061","0.0008","10.2647","0.0011","22.814","0.002","90","","90","","90","","1851.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O18 Rb2 V2 -","- C8 H14 O18 Rb2 V2 -","- C32 H56 O72 Rb8 V8 -","4","1","","Cortese, Anthony J.; Wilkins, Branford; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Crystal growth of four oxovanadium(IV) tartrates prepared via a mild two-step hydrothermal method: observation of spin-dimer behavior and second harmonic generation.","Inorganic chemistry","2015","54","8","4011","4020","10.1021/acs.inorgchem.5b00275","","","0.71073","MoKα","","0.027","0.0238","","","0.0527","0.0543","","","","","","1.05","","","","has coordinates","231613","2020-10-21","18:00:00",""
"4346093","8.5931","0.0005","10.4332","0.0006","24.2289","0.0013","90","","90","","90","","2172.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 Na2 O23 V2 -","- C8 H24 Na2 O23 V2 -","- C32 H96 Na8 O92 V8 -","4","1","","Cortese, Anthony J.; Wilkins, Branford; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; Tran, T. Thao; Halasyamani, P. Shiv; zur Loye, Hans-Conrad","Crystal growth of four oxovanadium(IV) tartrates prepared via a mild two-step hydrothermal method: observation of spin-dimer behavior and second harmonic generation.","Inorganic chemistry","2015","54","8","4011","4020","10.1021/acs.inorgchem.5b00275","","","0.71073","MoKα","","0.0415","0.0398","","","0.0877","0.0883","","","","","","1.173","","","","has coordinates","231613","2020-10-21","18:00:00",""
"4346094","14.7827","0.0006","14.7902","0.0006","29.408","0.0011","90","","90","","90","","6429.7","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H68 Au6 Cl3 N6 O P3 -","- C37 H68 Au6 Cl3 N6 O P3 -","- C148 H272 Au24 Cl12 N24 O4 P12 -","4","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Aurophilicity-triggered assembly of novel cyclic penta- and hexanuclear gold(I) complexes with rigid anionic NHC-type ligands.","Inorganic chemistry","2015","54","8","3722","3724","10.1021/acs.inorgchem.5b00276","","","0.71073","MoKα","","0.0653","0.0491","","","0.1046","0.1095","","","","","","1.039","","","","has coordinates","231614","2020-10-21","18:00:00",""
"4346138","16.382","0.0011","10.5135","0.0007","11.8675","0.0008","90","","90","","90","","2044","0.2","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","in manuscript 1b","","","- C15 H28 F3 N2 O3 P S -","- C15 H28 F3 N2 O3 P S -","- C60 H112 F12 N8 O12 P4 S4 -","4","1","","Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.","Inorganic chemistry","2015","54","21","10126","10140","10.1021/acs.inorgchem.5b00513","","","0.71073","MoKα","","0.0822","0.0654","","","0.1339","0.1414","","","","","","1.086","","","","has coordinates","231629","2020-10-21","18:00:00",""
"4346210","16.004","0.006","32.442","0.013","24.564","0.009","90","","90","","90","","12754","8","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C101.5 H109 Cl11 F12 Ir2 P10 Pd2 -","- C101.5 H109 Cl11 F12 Ir2 P10 Pd2 -","- C406 H436 Cl44 F48 Ir8 P40 Pd8 -","4","1","","Tanase, Tomoaki; Hatada, Satoko; Noda, Sayo; Takenaka, Hiroe; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki","Stepwise Expansion of Pd Chains from Binuclear Palladium(I) Complexes Supported by Tetraphosphine Ligands.","Inorganic chemistry","2015","54","17","8298","8309","10.1021/acs.inorgchem.5b00950","","","0.71075","MoKα","","","0.1043","","","","0.296","","","","","","0.869","","","","has coordinates","231661","2020-10-21","18:00:00",""
"4346229","9.5916","0.0004","19.4968","0.0015","23.8118","0.0014","90","","90","","90","","4452.9","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H50 Cl2 Mn4 N8 Te4 -","- C29 H50 Cl2 Mn4 N8 Te4 -","- C116 H200 Cl8 Mn16 N32 Te16 -","4","1","","Choi, Bonnie; Paley, Daniel W.; Siegrist, Theo; Steigerwald, Michael L.; Roy, Xavier","Ligand Control of Manganese Telluride Molecular Cluster Core Nuclearity.","Inorganic chemistry","2015","54","17","8348","8355","10.1021/acs.inorgchem.5b01020","","x-ray","1.54184","CuKα","","0.0998","0.0854","","","0.2236","0.2403","","","","","","1.065","","","","has coordinates","231669","2020-10-21","18:00:00",""
"4346310","11.0453","0.001","19.3899","0.0017","22.94","0.002","90","","90","","90","","4913","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C60 H51 B3 N12 -","- C60 H51 B3 N12 -","- C240 H204 B12 N48 -","4","1","","Chang, Mu-Chieh; Otten, Edwin","Reduction of (Formazanate)boron Difluoride Provides Evidence for an N-Heterocyclic B(I) Carbenoid Intermediate.","Inorganic chemistry","2015","54","17","8656","8664","10.1021/acs.inorgchem.5b01287","","","1.54178","CuKα","","0.1183","0.0734","","","0.1086","0.1251","","","","","","1.12","","","","has coordinates","231724","2020-10-21","18:00:00",""
"4346357","14.2237","0.0005","14.714","0.0004","17.1597","0.0004","90","","90","","90","","3591.31","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cu6 I8 N2 -","- C24 H24 Cu6 I8 N2 -","- C96 H96 Cu24 I32 N8 -","4","1","","Qiao, Yanrong; Hao, Pengfei; Fu, Yunlong","Symmetrically Related Construction and Optical Properties of Two Noncentrosymmetric 3D Iodides of d(10) Cation (Cu(+), Ag(+)) Based on the N-Benzylpyridinium and Its Supramolecular Interactions.","Inorganic chemistry","2015","54","17","8705","8710","10.1021/acs.inorgchem.5b01331","","","0.71073","MoKα","","0.0354","0.031","","","0.0608","0.0628","","","","","","1.047","","","","has coordinates","231744","2020-10-21","18:00:00",""
"4346358","14.4193","0.0007","14.783","0.0007","17.2685","0.0009","90","","90","","90","","3681","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cu6 I8 N2 -","- C24 H24 Cu6 I8 N2 -","- C96 H96 Cu24 I32 N8 -","4","1","","Qiao, Yanrong; Hao, Pengfei; Fu, Yunlong","Symmetrically Related Construction and Optical Properties of Two Noncentrosymmetric 3D Iodides of d(10) Cation (Cu(+), Ag(+)) Based on the N-Benzylpyridinium and Its Supramolecular Interactions.","Inorganic chemistry","2015","54","17","8705","8710","10.1021/acs.inorgchem.5b01331","","","0.71073","MoKα","","0.0477","0.0415","","","0.0769","0.0816","","","","","","1.001","","","","has coordinates","231744","2020-10-21","18:00:00",""
"4346371","12.4588","0.0012","14.439","0.0014","21.264","0.002","90","","90","","90","","3825.2","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H50 Cl P3 Se6 U -","- C25 H50 Cl P3 Se6 U -","- C100 H200 Cl4 P12 Se24 U4 -","4","1","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0222","0.0187","","","0.0386","0.0393","","","","","","0.943","","","","has coordinates","231748","2020-10-21","18:00:00",""
"4346373","10.7542","0.0015","16.203","0.002","22.059","0.003","90","","90","","90","","3843.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H54 Cl P3 Se6 U -","- C24 H54 Cl P3 Se6 U -","- C96 H216 Cl4 P12 Se24 U4 -","4","1","","Behrle, Andrew C.; Kerridge, Andrew; Walensky, Justin R.","Dithio- and Diselenophosphinate Thorium(IV) and Uranium(IV) Complexes: Molecular and Electronic Structures, Spectroscopy, and Transmetalation Reactivity.","Inorganic chemistry","2015","54","24","11625","11636","10.1021/acs.inorgchem.5b01342","","","0.71073","MoKα","","0.0208","0.0175","","","0.0391","0.0408","","","","","","0.65","","","","has coordinates","231748","2020-10-21","18:00:00",""
"4346462","10.496","0.0004","14.1896","0.0006","19.4829","0.0008","90","","90","","90","","2901.7","0.2","285.29","0.1","285.29","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 Al O Si2 -","- C28 H41 Al O Si2 -","- C112 H164 Al4 O4 Si8 -","4","1","","Zhang, Yongliang; Wei, Junnian; Zhang, Wen-Xiong; Xi, Zhenfeng","Lithium Aluminate Complexes and Alumoles from 1,4-Dilithio-1,3-Butadienes and AlEt2Cl.","Inorganic chemistry","2015","54","22","10695","10700","10.1021/acs.inorgchem.5b01551","","","0.71073","MoKα","","0.0617","0.0444","","","0.0886","0.0981","","","","","","1.034","","","","has coordinates","231786","2020-10-21","18:00:00",""
"4346530","15.2296","0.0003","18.0203","0.0004","21.9241","0.0006","90","","90","","90","","6016.9","0.2","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H95 Fe N4 Na O3 Si4 -","- C51 H95 Fe N4 Na O3 Si4 -","- C204 H380 Fe4 N16 Na4 O12 Si16 -","4","1","","Maddock, Lewis C. H.; Cadenbach, Thomas; Kennedy, Alan R.; Borilovic, Ivana; Aromí, Guillem; Hevia, Eva","Accessing sodium ferrate complexes containing neutral and anionic N-heterocyclic carbene ligands: structural, synthetic, and magnetic insights.","Inorganic chemistry","2015","54","18","9201","9210","10.1021/acs.inorgchem.5b01638","","","0.7107","MoKα","","0.0827","0.0567","","","0.0971","0.1093","","","","","","1.053","","","","has coordinates","231826","2020-10-21","18:00:00",""
"4346546","13.8768","0.0005","14.4157","0.0005","18.7392","0.0007","90","","90","","90","","3748.7","0.2","100","2","99.99","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C39 H43 B F4 Fe Ni O2 P2 S2 -","- C39 H43 B F4 Fe Ni O2 P2 S2 -","- C156 H172 B4 F16 Fe4 Ni4 O8 P8 S8 -","4","1","","Chambers, Geoffrey M.; Huynh, Mioy T.; Li, Yulong; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B.; Reijerse, Edward; Lubitz, Wolfgang","Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.","Inorganic chemistry","2016","55","2","419","431","10.1021/acs.inorgchem.5b01662","","","0.71073","MoKα","","0.0579","0.0448","","","0.0972","0.1041","","","","","","1.052","","","","has coordinates","231833","2020-10-21","18:00:00",""
"4346653","11.54","0.003","16.778","0.004","28.468","0.008","90","","90","","90","","5512","2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","CuCPB1","","- C57 H47 Cu3 N3 O16 -","- C57 H47 Cu3 N3 O16 -","- C228 H188 Cu12 N12 O64 -","4","1","","Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Pham, Hung Q.; Kim, Jaheon; Cordova, Kyle E.; Furukawa, Hiroyasu","Synthesis and Selective CO2 Capture Properties of a Series of Hexatopic Linker-Based Metal-Organic Frameworks.","Inorganic chemistry","2015","54","20","10065","10072","10.1021/acs.inorgchem.5b01900","","","1.54178","CuKα","","0.1413","0.1289","","","0.2992","0.309","","","","","","1.07","","","","has coordinates","231904","2020-10-21","18:00:00",""
"4346662","13.4522","0.0003","13.9794","0.0003","14.5981","0.0003","90","","90","","90","","2745.23","0.1","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Mn2 N3 O7 S3 -","- C24 H21 Mn2 N3 O7 S3 -","- C96 H84 Mn8 N12 O28 S12 -","4","1","","Mede, Ralf; Klein, Moritz; Claus, Ralf A.; Krieck, Sven; Quickert, Stefanie; Görls, Helmar; Neugebauer, Ute; Schmitt, Michael; Gessner, Guido; Heinemann, Stefan H.; Popp, Jürgen; Bauer, Michael; Westerhausen, Matthias","CORM-EDE1: A Highly Water-Soluble and Nontoxic Manganese-Based photoCORM with a Biogenic Ligand Sphere.","Inorganic chemistry","2016","55","1","104","113","10.1021/acs.inorgchem.5b01904","","","0.71073","MoKα","","0.0352","0.032","","","0.0673","0.069","","","","","","1.09","","","","has coordinates","231911","2020-10-21","18:00:00",""
"4346664","13.4963","0.0002","22.4928","0.0002","34.7416","0.0005","90","","90","","90","","10546.5","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 Cl2 N10 Na O6 Sn -","- C56 H56 Cl2 N10 Na O6 Sn -","- C448 H448 Cl16 N80 Na8 O48 Sn8 -","8","2","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States.","Inorganic chemistry","2016","55","4","1390","1402","10.1021/acs.inorgchem.5b01906","","x-ray","0.71073","MoKα","","0.0854","0.0592","","","0.1366","0.1502","","","","","","1.043","","","","has coordinates,has disorder","231912","2020-10-21","18:00:00",""
"4346779","12.0758","0.0005","12.8","0.0005","20.1759","0.0008","90","","90","","90","","3118.6","0.2","88","2","88","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 B2 Co F8 N8 P -","- C26 H33 B2 Co F8 N8 P -","- C104 H132 B8 Co4 F32 N32 P4 -","4","1","","Thammavongsy, Zachary; Khosrowabadi Kotyk, Juliet F.; Tsay, Charlene; Yang, Jenny Y.","Flexibility is Key: Synthesis of a Tripyridylamine (TPA) Congener with a Phosphorus Apical Donor and Coordination to Cobalt(II).","Inorganic chemistry","2015","54","23","11505","11510","10.1021/acs.inorgchem.5b02133","","","0.71073","MoKα","","0.0437","0.0377","","","0.0957","0.1003","","","","","","0.983","","","","has coordinates,has disorder","231977","2020-10-21","18:00:00",""
"4346877","9.0829","0.0002","13.2809","0.0003","28.1212","0.0006","90","","90","","90","","3392.23","0.13","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H30 Cl2 N P Pt -","- C43 H30 Cl2 N P Pt -","- C172 H120 Cl8 N4 P4 Pt4 -","4","1","","Mendola, Daniele; Saleh, Nidal; Hellou, Nora; Vanthuyne, Nicolas; Roussel, Christian; Toupet, Loïc; Castiglione, Franca; Melone, Federica; Caronna, Tullio; Fontana, Francesca; Martí-Rujas, Javier; Parisini, Emilio; Malpezzi, Luciana; Mele, Andrea; Crassous, Jeanne","Synthesis and Structural Properties of Aza[n]helicene Platinum Complexes: Control of Cis and Trans Stereochemistry.","Inorganic chemistry","2016","55","5","2009","2017","10.1021/acs.inorgchem.5b02276","","x-ray","0.71073","MoKα","","0.0232","0.0218","","","0.0465","0.0472","","","","","","1.047","","","","has coordinates","232037","2020-10-21","18:00:00",""
"4346917","13.0435","0.0007","18.702","0.001","27.3566","0.0019","90","","90","","90","","6673.4","0.7","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H74 N2 O10 P4 Pt2 S2 -","- C63 H74 N2 O10 P4 Pt2 S2 -","- C252 H296 N8 O40 P16 Pt8 S8 -","4","1","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0872","0.0668","","","0.1196","0.1249","","","","","","1.143","","","","has coordinates","232065","2020-10-21","18:00:00",""
"4346920","13.1259","0.0002","18.8248","0.0003","27.4833","0.0005","90","","90","","90","","6790.92","0.19","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31.5 H37 N O5 P2 Pd S -","- C31.5 H37 N O5 P2 Pd S -","- C252 H296 N8 O40 P16 Pd8 S8 -","8","2","","Yoshinari, Nobuto; Shimizu, Tsutomu; Nozaki, Koichi; Konno, Takumi","Methanol-Triggered Turn-On-Type Photoluminescence in L-Cysteinato Palladium(II) and Platinum(II) Complexes Supported by a Bis(diphenylphosphine) Ligand.","Inorganic chemistry","2016","55","5","2030","2036","10.1021/acs.inorgchem.5b02363","","","0.71075","MoKα","","0.0475","0.0433","","","0.1122","0.114","","","","","","1.109","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4346985","14.082","0.001","15.027","0.0006","22.8241","0.0017","90","","90","","90","","4829.8","0.5","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H44 B4 Br4 N2 O6 Sn -","- C36 H36 B4 Br4 N2 O6 Sn -","- C144 H144 B16 Br16 N8 O24 Sn4 -","4","1","","Mairychová, Barbora; Kityk, I. V.; Maciag, Artur; Bureš, Filip; Klikar, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman","N→Sn-Coordinated Stannaoxidoborates Containing a SnB4O6 Unit.","Inorganic chemistry","2016","55","4","1587","1594","10.1021/acs.inorgchem.5b02505","","","0.71073","MoKα","","0.0576","0.0389","","","0.0755","0.0855","","","","","","1.089","","","","has coordinates","232091","2020-10-21","18:00:00",""
"4346988","9.277","0.004","24.613","0.011","25.517","0.011","90","","90","","90","","5826","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 Ir N3 O3 -","- C29 H22 Ir N3 O3 -","- C232 H176 Ir8 N24 O24 -","8","2","","Yi, Seungjun; Kim, Jin-Hyoung; Cho, Yang-Jin; Lee, Jiwon; Choi, Tae-Sup; Cho, Dae Won; Pac, Chyongjin; Han, Won-Sik; Son, Ho-Jin; Kang, Sang Ook","Stable Blue Phosphorescence Iridium(III) Cyclometalated Complexes Prompted by Intramolecular Hydrogen Bond in Ancillary Ligand.","Inorganic chemistry","2016","55","7","3324","3331","10.1021/acs.inorgchem.5b02511","","","0.71073","MoKα","","0.1075","0.0605","","","0.152","0.1744","","","","","","0.887","","","","has coordinates","232092","2020-10-21","18:00:00",""
"4347032","14.9976","0.0002","19.9846","0.0003","29.7143","0.0005","90","","90","","90","","8906","0.2","123","1","123","1","","","","","","","see text","10","P 21 21 21","P 2ac 2ab","19","","","","- C81 H74 B Cl6 Cu3 F4 I2 Mo2 O4 P8 -","- C81 H74 B Cl6 Cu3 F4 I2 Mo2 O4 P8 -","- C324 H296 B4 Cl24 Cu12 F16 I8 Mo8 O16 P32 -","4","1","","Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred","Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.","Inorganic chemistry","2016","55","6","2840","2854","10.1021/acs.inorgchem.5b02641","","x-ray","1.54178","CuKα","","0.0513","0.048","","","0.1282","0.1313","","","","","","1.027","","","","has coordinates","232125","2020-10-21","18:00:00",""
"4347158","8.8709","0.0007","13.4554","0.001","19.1905","0.0015","90","","90","","90","","2290.6","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cu N2 O S -","- C23 H27 Cu N2 O S -","- C92 H108 Cu4 N8 O4 S4 -","4","1","","Ferrara, Skylar J.; Wang, Bo; Haas, Elaine; Wright LeBlanc, Karry; Mague, Joel T.; Donahue, James P.","Synthesis and Structures of [LCu(I)(SSi(i)Pr3)] (L = triphos, carbene) and Related Compounds.","Inorganic chemistry","2016","55","18","9173","9177","10.1021/acs.inorgchem.5b02811","","","0.71073","MoKα","","0.0388","0.034","","","0.0859","0.0894","","","","","","1.053","","","","has coordinates","232194","2020-10-21","18:00:00",""
"4347175","15.9755","0.0007","18.754","0.0008","21.0976","0.0015","90","","90","","90","","6320.9","0.6","161","2","161","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H92 Fe2 N6 O Rb2 -","- C62 H92 Fe2 N6 O Rb2 -","- C248 H368 Fe8 N24 O4 Rb8 -","4","1","","McWilliams, Sean F.; Rodgers, Kenton R.; Lukat-Rodgers, Gudrun; Mercado, Brandon Q.; Grubel, Katarzyna; Holland, Patrick L.","Alkali Metal Variation and Twisting of the FeNNFe Core in Bridging Diiron Dinitrogen Complexes.","Inorganic chemistry","2016","55","6","2960","2968","10.1021/acs.inorgchem.5b02841","","","0.71075","MoKα","","0.1231","0.0544","","","0.1053","0.1371","","","","","","1.008","","","","has coordinates","232204","2020-10-21","18:00:00",""
"4347296","6.871","0.0014","13.002","0.003","13.702","0.003","90","","90","","90","","1224.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 N4 O2 Pt -","- C8 H14 N4 O2 Pt -","- C32 H56 N16 O8 Pt4 -","4","1","","Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi","Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.","Inorganic chemistry","2016","55","5","2620","2626","10.1021/acs.inorgchem.5b02980","","","0.71073","MoKα","","0.0165","0.0151","","","0.0403","0.0408","","","","","","1.083","","","","has coordinates","232251","2020-10-21","18:00:00",""
"4347338","13.2183","0.0006","16.9966","0.0008","19.7511","0.001","90","","90","","90","","4437.4","0.4","273","2","273","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H36 Br2 Cl2 N O Os P2 -","- C50 H36 Br2 Cl2 N O Os P2 -","- C200 H144 Br8 Cl8 N4 O4 Os4 P8 -","4","1","","Bera, Sachinath; Mondal, Sandip; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta","Radical and Non-Radical States of the [Os(PIQ)] Core (PIQ = 9,10-Phenanthreneiminoquinone): Iminosemiquinone to Iminoquinone Conversion Promoted o-Metalation Reaction.","Inorganic chemistry","2016","55","10","4746","4756","10.1021/acs.inorgchem.6b00040","","","0.71073","MoKα","","0.0553","0.0461","","","0.132","0.1487","","","","","","1.08","","","","has coordinates","232274","2020-10-21","18:00:00",""
"4347370","11.0829","0.0003","13.6669","0.0004","15.3382","0.0005","90","","90","","90","","2323.26","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 O4 P -","- C31 H21 O4 P -","- C124 H84 O16 P4 -","4","1","","Christianson, Anna M.; Gabbaï, François P","Synthesis and Coordination Chemistry of a Phosphine-Decorated Fluorescein: ""Double Turn-On"" Sensing of Gold(III) Ions in Water.","Inorganic chemistry","2016","55","12","5828","5835","10.1021/acs.inorgchem.6b00080","","","0.71073","MoKα","","0.0642","0.0433","","","0.0823","0.0871","","","","","","1.083","","","","has coordinates,has disorder","232290","2020-10-21","18:00:00",""
"4347400","10.9964","0.0003","12.6256","0.0003","28.4208","0.001","90","","90","","90","","3945.8","0.2","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H37 B I2 N2 O3 P2 -","- C38 H37 B I2 N2 O3 P2 -","- C152 H148 B4 I8 N8 O12 P8 -","4","1","","Bertocco, Philipp; Bolli, Christoph; Correia Bicho, Bruno A.; Jenne, Carsten; Erken, Berrin; Laitinen, Risto S.; Seeger, Helene A.; Takaluoma, Teemu T.","Theoretical and Synthetic Study on the Existence, Structures, and Bonding of the Halide-Bridged [B2X7](-) (X = F, Cl, Br, I) Anions.","Inorganic chemistry","2016","55","7","3599","3604","10.1021/acs.inorgchem.6b00118","","","0.71073","MoKα","","0.0612","0.0411","","","0.0679","0.0745","","","","","","1.002","","","","has coordinates","232307","2020-10-21","18:00:00",""
"4347443","13.2231","0.0006","24.3062","0.0012","24.7602","0.0013","90","","90","","90","","7958","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[K(222)][Mn(TMP)(CN)]1.63(C6H5Cl)","","","- C84.77 H96.15 Cl1.63 K Mn N7 O6 -","- C84.774 H96.145 Cl1.629 K Mn N7 O6 -","- C339.096 H384.58 Cl6.516 K4 Mn4 N28 O24 -","4","1","","He, Mingrui; Li, Xiangjun; Liu, Yanhong; Li, Jianfeng","Axial Mn-CCN Bonds of Cyano Manganese(II) Porphyrin Complexes: Flexible and Weak?","Inorganic chemistry","2016","55","12","5871","5879","10.1021/acs.inorgchem.6b00173","","","0.71073","MoKα","","0.0544","0.0494","","","0.1449","0.1493","","","","","","1.109","","","","has coordinates","232320","2020-10-21","18:00:00",""
"4347511","10.1612","0.0003","13.9035","0.0005","19.6348","0.0007","90","","90","","90","","2773.93","0.16","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C13 H34 Cl2 F6 Li O4 P Si4 -","- C13 H34 Cl2 F6 Li O4 P Si4 -","- C52 H136 Cl8 F24 Li4 O16 P4 Si16 -","4","1","","Reuter, Kirsten; Buchner, Magnus R.; Thiele, Günther; von Hänisch, Carsten","Stable Alkali-Metal Complexes of Hybrid Disila-Crown Ethers.","Inorganic chemistry","2016","55","9","4441","4447","10.1021/acs.inorgchem.6b00267","","","0.71073","MoKα","","0.0469","0.0355","","","0.069","0.0732","","","","","","1.035","","","","has coordinates","232352","2020-10-21","18:00:00",""
"4347570","14.492","0.002","17.789","0.003","23.398","0.004","90","","90","","90","","6032","1.7","173","","173","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33.3 H77 Fe4 N5.3 Na O0.7 S4 Si8 -","- C33.3 H77 Fe4 N5.3 Na O0.7 S4 Si8 -","- C133.2 H308 Fe16 N21.2 Na4 O2.8 S16 Si32 -","4","1","","Tanifuji, Kazuki; Tajima, Shunichi; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Interconversion between [Fe4S4] and [Fe2S2] Clusters Bearing Amide Ligands.","Inorganic chemistry","2016","55","9","4512","4518","10.1021/acs.inorgchem.6b00352","","","0.71075","MoKα","","","0.0645","","","","0.186","","","","","","0.989","","","","has coordinates","232383","2020-10-21","18:00:00",""
"4347578","11.1516","0.0011","11.3564","0.0011","45.652","0.004","90","","90","","90","","5781.5","0.9","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Cl3 N4 O Zn2 -","- C25 H39 Cl3 N4 O Zn2 -","- C200 H312 Cl24 N32 O8 Zn16 -","8","2","","Kremer, Alexandre B.; Osten, Kimberly M.; Yu, Insun; Ebrahimi, Tannaz; Aluthge, Dinesh C.; Mehrkhodavandi, Parisa","Dinucleating Ligand Platforms Supporting Indium and Zinc Catalysts for Cyclic Ester Polymerization.","Inorganic chemistry","2016","55","11","5365","5374","10.1021/acs.inorgchem.6b00358","","","0.71073","MoKα","","0.0746","0.0514","","","0.0823","0.0865","","","","","","1.083","","","","has coordinates","232386","2020-10-21","18:00:00",""
"4347599","9.5402","0.001","18.245","0.002","24.821","0.003","90","","90","","90","","4320.4","0.8","140","2","140","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 Cl2 N3 O Si2 Zn -","- C41 H59 Cl2 N3 O Si2 Zn -","- C164 H236 Cl8 N12 O4 Si8 Zn4 -","4","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.0385","0.0298","","","0.0653","0.0684","","","","","","0.996","","","","has coordinates","232401","2020-10-21","18:00:00",""
"4347603","8.3865","0.0009","17.5334","0.0019","23.826","0.003","90","","90","","90","","3503.5","0.7","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H52 N2 O Zn -","- C41 H52 N2 O Zn -","- C164 H208 N8 O4 Zn4 -","4","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.0528","0.0346","","","0.0769","0.0834","","","","","","0.992","","","","has coordinates","232401","2020-10-21","18:00:00",""
"4347604","12.2375","0.0013","16.5783","0.0018","17.4078","0.0018","90","","90","","90","","3531.6","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 Cl N2 O Zn -","- C39 H47 Cl N2 O Zn -","- C156 H188 Cl4 N8 O4 Zn4 -","4","1","","Wang, Haobing; Yang, Yang; Ma, Haiyan","Exploring Steric Effects in Diastereoselective Synthesis of Chiral Aminophenolate Zinc Complexes and Stereoselective Ring-Opening Polymerization of rac-Lactide.","Inorganic chemistry","2016","55","15","7356","7372","10.1021/acs.inorgchem.6b00378","","","0.71073","MoKα","","0.07","0.0395","","","0.089","0.1019","","","","","","0.974","","","","has coordinates","232401","2020-10-21","18:00:00",""
"4347649","8.9836","0.0002","10.5918","0.0004","32.7196","0.0014","90","","90","","90","","3113.35","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","LIFM-40","","","- C36 H34 Ca N2 O6 -","- C36 H34 Ca N2 O6 -","- C144 H136 Ca4 N8 O24 -","4","1","","Wei, Zhang-Wen; Chen, Cheng-Xia; Zheng, Shao-Ping; Wang, Hai-Ping; Fan, Ya-Nan; Ai, Ye-Ye; Pan, Mei; Su, Cheng-Yong","Rigidifying Effect of Metal-Organic Frameworks: Protect the Conformation, Packing Mode, and Blue Fluorescence of a Soft Piezofluorochromic Compound under Pressures up to 8 MPa.","Inorganic chemistry","2016","55","15","7311","7313","10.1021/acs.inorgchem.6b00429","","","1.54184","CuKα","","0.095","0.0897","","","0.2369","0.2422","","","","","","1.087","","","","has coordinates","232421","2020-10-21","18:00:00",""
"4347721","6.3292","0.0002","7.7163","0.0003","43.8439","0.0017","90","","90","","90","","2141.25","0.14","150","","150.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N Si2 -","- C22 H25 N Si2 -","- C88 H100 N4 Si8 -","4","1","","Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Koentjoro, Olivia F.; Molloy, Kieran C.; Skelton, Jonathan M.; Raithby, Paul R.","Experimental and Theoretical Investigation for the Level of Conjugation in Carbazole-Based Precursors and Their Mono-, Di-, and Polynuclear Pt(II) Complexes.","Inorganic chemistry","2016","55","13","6465","6480","10.1021/acs.inorgchem.6b00523","","","0.71073","MoKα","","0.0736","0.0674","","","0.1514","0.1546","","","","","","1.135","","","","has coordinates","232467","2020-10-21","18:00:00",""
"4347773","5.9393","0.0001","16.9941","0.0005","27.4012","0.0008","90","","90","","90","","2765.69","0.12","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 N P -","- C35 H30 N P -","- C140 H120 N4 P4 -","4","1","","Younis, Fadi M.; Krieck, Sven; Al-Shboul, Tareq M A; Görls, Helmar; Westerhausen, Matthias","Calcium-Mediated Catalytic Synthesis of 1-(Diorganylamino)-1,4-diphenyl-4-(diphenylphosphanyl)buta-1,3-dienes.","Inorganic chemistry","2016","55","9","4676","4682","10.1021/acs.inorgchem.6b00586","","","0.71073","MoKα","","0.0762","0.0577","","","0.1053","0.1123","","","","","","1.153","","","","has coordinates","232493","2020-10-21","18:00:00",""
"4347781","6.811","0.0008","7.8443","0.0011","19.289","0.019","90","","90","","90","","1030.6","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(dimethylsilanediyl)bis(methylene) dicarbamate","(dimethylsilanediyl)bis(methylene) dicarbamate","","- C6 H14 N2 O4 Si -","- C6 H14 N2 O4 Si -","- C24 H56 N8 O16 Si4 -","4","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Reith, Thomas","Energetic Sila-Nitrocarbamates: Silicon Analogues of Neo-Pentane Derivatives.","Inorganic chemistry","2016","55","9","4683","4692","10.1021/acs.inorgchem.6b00602","","","0.71073","MoKα","","0.0603","0.0466","","","0.081","0.0885","","","","","","1.068","","","","has coordinates","232500","2020-10-21","18:00:00",""
"4347814","11.3211","0.0003","14.5428","0.0003","21.0676","0.0004","90","","90","","90","","3468.58","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 N5 O3 Os P -","- C40 H28 N5 O3 Os P -","- C160 H112 N20 O12 Os4 P4 -","4","1","","Xiang, Jing; Wang, Qian; Yiu, Shek-Man; Man, Wai-Lun; Kwong, Hoi-Ki; Lau, Tai-Chu","Aerobic Oxidation of an Osmium(III) N-Hydroxyguanidine Complex To Give Nitric Oxide.","Inorganic chemistry","2016","55","10","5056","5061","10.1021/acs.inorgchem.6b00652","","","1.54178","CuKα","","0.0366","0.0366","","","0.0826","0.0826","","","","","","1.282","","","","has coordinates,has disorder","232518","2020-10-21","18:00:00",""
"4347821","12.8306","0.0007","14.7159","0.0008","20.368","0.0011","90","","90","","90","","3845.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H60 Cl N2 Os P -","- C36 H60 Cl N2 Os P -","- C144 H240 Cl4 N8 Os4 P4 -","4","1","","Buil, María L; Cardo, Juan J. F.; Esteruelas, Miguel A.; Fernández, Israel; Oñate, Enrique","An Entry to Stable Mixed Phosphine-Osmium-NHC Polyhydrides.","Inorganic chemistry","2016","55","10","5062","5070","10.1021/acs.inorgchem.6b00658","","","0.71073","MoKα","","0.0427","0.039","","","0.0887","0.091","","","","","","1.077","","","","has coordinates","232523","2020-10-21","18:00:00",""
"4347914","15.2569","0.0019","18.666","0.003","18.731","0.002","90","","90","","90","","5334.3","1.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Cl6 N6 Ru -","- C46 H64 Cl6 N6 Ru -","- C184 H256 Cl24 N24 Ru4 -","4","1","","Aihara, Yusuke; Sato, Kyohei; Shinozaki, Kazuteru","Optical Resolution, Determination of Absolute Configuration, and Photoracemization of cis-RuL2(CN)2 (L = 2,2'-Bipyridine and Its Analogues).","Inorganic chemistry","2016","55","17","8387","8395","10.1021/acs.inorgchem.6b00772","","","0.71075","MoKα","","0.0927","0.085","","","0.1942","0.1998","","","","","","1.157","","","","has coordinates","232584","2020-10-21","18:00:00",""
"4348028","11.6274","0.0018","19.663","0.004","32.678","0.006","90","","90","","90","","7471","2","259","2","259.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C70 H48 Cd3 N8 O12 -","- C70 H48 Cd3 N8 O12 -","- C280 H192 Cd12 N32 O48 -","4","1","","Zhang, Jie; Li, Zijian; Gong, Wei; Han, Xing; Liu, Yan; Cui, Yong","Chiral DHIP-Based Metal-Organic Frameworks for Enantioselective Recognition and Separation.","Inorganic chemistry","2016","55","15","7229","7232","10.1021/acs.inorgchem.6b00894","","","0.71073","MoKα","","0.134","0.075","","","0.1884","0.2327","","","","","","0.982","","","","has coordinates","232661","2020-10-21","18:00:00",""
"4348046","12.0076","0.0005","15.2895","0.0006","29.6396","0.0012","90","","90","","90","","5441.5","0.4","90","2","90","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C58 H64 Cu F3 N2 O7 P2 S -","- C58 H68 Cu F3 N2 O7 P2 S -","- C232 H272 Cu4 F12 N8 O28 P8 S4 -","4","1","","Serin, Spencer C.; Pick, Fraser S.; Dake, Gregory R.; Gates, Derek P.","Copper(I) Complexes of Pyridine-Bridged Phosphaalkene-Oxazoline Pincer Ligands.","Inorganic chemistry","2016","55","13","6670","6678","10.1021/acs.inorgchem.6b00917","","x-ray","0.71073","MoKα","","0.0426","0.0328","","","0.0704","0.0735","","","","","","0.947","","","","has coordinates,has disorder","232696","2020-10-21","18:00:00",""
"4348168","11.2386","0.0003","15.6641","0.0003","21.5505","0.0005","90","","90","","90","","3793.81","0.15","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cu2 N8 O6 -","- C32 H52 Cu2 N8 O6 -","- C128 H208 Cu8 N32 O24 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","","1.54184","CuKα","","0.053","0.0502","","","0.1306","0.1349","","","","","","1.043","","","","has coordinates,has disorder","232809","2020-10-21","18:00:00",""
"4348169","8.95087","0.0001","12.63503","0.0001","19.02315","0.00015","90","","90","","90","","2151.41","0.03","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 N4 O3 Zn -","- C19 H32 N4 O3 Zn -","- C76 H128 N16 O12 Zn4 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","x-ray","1.54184","CuKα","","0.0237","0.0226","","","0.0583","0.0592","","","","","","1.043","","","","has coordinates","232809","2020-10-21","18:00:00",""
"4348170","11.1735","0.0003","15.6927","0.0004","21.4976","0.0005","90","","90","","90","","3769.44","0.16","199.95","0.1","199.95","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N4 Ni O3 -","- C16 H26 N4 Ni O3 -","- C128 H208 N32 Ni8 O24 -","8","2","","Gorla, Lingaraju; Martí-Centelles, Vicente; Freimuth, Lena; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+), Zn(2+), and Ni(2+) Complexes of C2-Symmetric Pseudopeptides with an Aromatic Central Spacer.","Inorganic chemistry","2016","55","15","7617","7629","10.1021/acs.inorgchem.6b01066","","","0.71073","MoKα","","0.0379","0.0332","","","0.077","0.0819","","","","","","1.068","","","","has coordinates","254024","2020-10-21","18:00:00",""
"4348224","10.743","0.002","10.981","0.002","16.751","0.003","90","","90","","90","","1976.1","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Gd4 H12 O24 S4 -","- Gd4 H4 O24 S4 -","- Gd16 H16 O96 S16 -","4","1","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","Magnetocaloric effect and slow magnetic relaxation in two dense (3,12)-connected lanthanide complexes","Inorg. Chem. Front.","2014","1","7","549","","10.1039/C4QI00073K","","","0.71073","MoKα","","0.0235","0.0215","","","0.0561","0.0565","","","","","","1.112","","","","has coordinates","232835","2020-10-21","18:00:00",""
"4348225","10.278","0.002","10.761","0.002","16.613","0.003","90","","90","","90","","1837.4","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Dy4 H10 O23 S4 -","- Dy4 H4 O23 S4 -","- Dy16 H16 O92 S16 -","4","1","","Han, Song-De; Miao, Xiao-Hong; Liu, Sui-Jun; Bu, Xian-He","Magnetocaloric effect and slow magnetic relaxation in two dense (3,12)-connected lanthanide complexes","Inorg. Chem. Front.","2014","1","7","549","","10.1039/C4QI00073K","","","0.71073","MoKα","","0.0891","0.0873","","","0.2018","0.2028","","","","","","1.06","","","","has coordinates","232835","2020-10-21","18:00:00",""
"4348249","13.0541","0.0004","13.3594","0.0007","14.832","0.0004","90","","90","","90","","2586.63","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Cl Co N12 O5 -","- C19 H26 Cl Co N12 O5 -","- C76 H104 Cl4 Co4 N48 O20 -","4","1","","Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman","The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition","Inorg. Chem. Front.","2014","1","8","599","","10.1039/C4QI00089G","","","0.71073","MoKα","","0.0451","0.0418","","","0.1103","0.1131","","","","","","1.104","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4348323","7.339","0.007","10.783","0.01","18.641","0.017","90","","90","","90","","1475","2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 F9 N2 S2 -","- C10 H9 F9 N2 S2 -","- C40 H36 F36 N8 S8 -","4","1","","Goettel, James T.; Kostiuk, Nathan; Gerken, Michael","Interactions between SF4 and Fluoride: A Crystallographic Study of Solvolysis Products of SF4·Nitrogen-Base Adducts by HF.","Inorganic chemistry","2016","55","14","7126","7134","10.1021/acs.inorgchem.6b01112","","","0.71073","MoKα","","0.0428","0.0377","","","0.0998","0.1041","","","","","","1.022","","","","has coordinates","232875","2020-10-21","18:00:00",""
"4348377","11.4735","0.0003","16.7897","0.0005","17.6792","0.0005","90","","90","","90","","3405.66","0.17","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 Cd N4 O6 -","- C36 H44 Cd N4 O6 -","- C144 H176 Cd4 N16 O24 -","4","1","","Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","A Biphenol-Based Chemosensor for Zn(II) and Cd(II) Metal Ions: Synthesis, Potentiometric Studies, and Crystal Structures.","Inorganic chemistry","2016","55","15","7676","7687","10.1021/acs.inorgchem.6b01145","","","0.71073","MoKα","","0.0816","0.0502","","","0.0857","0.0974","","","","","","1.09","","","","has coordinates","232894","2020-10-21","18:00:00",""
"4348403","7.8324","0.0005","12.702","0.0008","22.4682","0.0015","90","","90","","90","","2235.3","0.2","150","2","150","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 B Br F4 N Ni O P -","- C19 H26 B Br F4 N Ni O P -","- C76 H104 B4 Br4 F16 N4 Ni4 O4 P4 -","4","1","","Jongbloed, Linda S.; García-López, Diego; van Heck, Richard; Siegler, Maxime A.; Carbó, Jorge J; van der Vlugt, Jarl Ivar","Arene C(sp(2))-H Metalation at Ni(II) Modeled with a Reactive PONCPh Ligand.","Inorganic chemistry","2016","55","16","8041","8047","10.1021/acs.inorgchem.6b01162","","","0.71073","MoKα","","0.0516","0.0434","","","0.0901","0.0947","","","","","","1.131","","","","has coordinates,has disorder","232902","2020-10-21","18:00:00",""
"4348538","13.5986","0.0001","21.2402","0.0002","31.0125","0.0003","90","","90","","90","","8957.56","0.14","173","2","173","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Ag2 F6 N6 O10 S2 -","- C36 H46 Ag2 F6 N6 O10 S2 -","- C288 H368 Ag16 F48 N48 O80 S16 -","8","2","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0472","0.0442","","","0.1175","0.1218","","","","","","1.025","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348539","12.8183","0.0002","16.1215","0.0002","23.4147","0.0004","90","","90","","90","","4838.65","0.13","100","2","100","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H38 Ag2 F6 N6 O10 S2 -","- C52 H38 Ag2 F6 N6 O10 S2 -","- C208 H152 Ag8 F24 N24 O40 S8 -","4","1","","Borrajo-Calleja, Gustavo M; de Julián, Eire; Bayón, Esther; Díez, Josefina; Lastra, Elena; Merino, Isabel; Gamasa, M. Pilar","Synthesis of Silver(I) and Gold(I) Complexes Containing Enantiopure Pybox Ligands. First Assays on the Silver(I)-Catalyzed Asymmetric Addition of Alkynes to Imines.","Inorganic chemistry","2016","55","17","8794","8807","10.1021/acs.inorgchem.6b01323","","","1.5418","CuKα","","0.0404","0.0348","","","0.079","0.0829","","","","","","1.046","","","","has coordinates","233068","2020-10-21","18:00:00",""
"4348582","8.277","0.003","14.406","0.004","16.214","0.005","90","","90","","90","","1933.3","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 As2 B2 Cl6 -","- C10 H16 As2 B2 Cl6 -","- C40 H64 As8 B8 Cl24 -","4","1","","Burt, Jennifer; Emsley, James W.; Levason, William; Reid, Gillian; Tinkler, Iain S.","Systematics of BX3 and BX2(+) Complexes (X = F, Cl, Br, I) with Neutral Diphosphine and Diarsine Ligands.","Inorganic chemistry","2016","55","17","8852","8864","10.1021/acs.inorgchem.6b01375","","","0.71073","MoKα","","0.023","0.0212","","","0.0408","0.041","","","","","","0.863","","","","has coordinates","233132","2020-10-21","18:00:00",""
"4348680","3.95","0.0008","10.568","0.002","18.064","0.004","90","","90","","90","","754.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-Bromothieno[2,3-d]-1,3-dithiol-2-one","5-Bromothieno[2,3-d]-1,3-dithiol-2-one","","- C5 H Br O S3 -","- C5 H Br O S3 -","- C20 H4 Br4 O4 S12 -","4","1","","Amb, Chad M.; Heth, Christopher L.; Evenson, Sean J.; Pokhodnya, Konstantin I.; Rasmussen, Seth C.","Thiophene-Fused Nickel Dithiolenes: A Synthetic Scaffold for Highly Delocalized π-Electron Systems.","Inorganic chemistry","2016","55","21","10978","10989","10.1021/acs.inorgchem.6b01513","","","0.71073","MoKα","","0.1009","0.0455","","","0.0827","0.1032","","","","","","1.031","","","","has coordinates","233265","2020-10-21","18:00:00",""
"4348725","11.64","0.0007","14.8686","0.0008","25.7249","0.0016","90","","90","","90","","4452.2","0.5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H69 N3 P3 Ti -","- C42 H69 N3 P3 Ti -","- C168 H276 N12 P12 Ti4 -","4","1","","Wu, Bing; Wilding, Matthew J. T.; Kuppuswamy, Subramaniam; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Exploring Trends in Metal-Metal Bonding, Spectroscopic Properties, and Conformational Flexibility in a Series of Heterobimetallic Ti/M and V/M Complexes (M = Fe, Co, Ni, and Cu).","Inorganic chemistry","2016","55","23","12137","12148","10.1021/acs.inorgchem.6b01543","","","0.71073","MoKα","","0.0426","0.0361","","0.0871","0.0846","0.0871","","","","","","0.975","","","","has coordinates","233294","2020-10-21","18:00:00",""
"4348810","8.9298","0.0004","13.9422","0.0007","30.8112","0.0019","90","","90","","90","","3836","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 Lu N10 Ni O10 W -","- C27 H20 Lu N10 Ni O10 W -","- C108 H80 Lu4 N40 Ni4 O40 W4 -","4","1","","Vieru, Veacheslav; Pasatoiu, Traian D.; Ungur, Liviu; Suturina, Elizaveta; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius; Chibotaru, Liviu F.","Synthesis, Crystal Structures, Magnetic Properties, and Theoretical Investigation of a New Series of Ni<sup>II</sup>-Ln<sup>III</sup>-W<sup>V</sup> Heterotrimetallics: Understanding the SMM Behavior of Mixed Polynuclear Complexes.","Inorganic chemistry","2016","55","23","12158","12171","10.1021/acs.inorgchem.6b01669","","","0.71073","MoKα","","0.0984","0.084","","","0.2182","0.2316","","","","","","1.055","","","","has coordinates","233381","2020-10-21","18:00:00",""
"4348921","16.3532","0.0004","17.2208","0.0005","21.9658","0.0007","90","","90","","90","","6185.9","0.3","240","2","240","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-di(pyrazol-1-yl)4-methylsulfanylpyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 S2 -","- C24 H22 Cl2 Fe N10 O8 S2 -","- C192 H176 Cl16 Fe8 N80 O64 S16 -","8","2","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.0904","0.0576","","","0.1432","0.1628","","","","","","1.028","","","","has coordinates,has disorder","233490","2020-10-21","18:00:00",""
"4348922","16.2202","0.0004","17.165","0.0004","21.9195","0.0006","90","","90","","90","","6102.8","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-di(pyrazol-1-yl)4-methylsulfanylpyridine]iron(II)diperchlorate","","- C24 H22 Cl2 Fe N10 O8 S2 -","- C24 H22 Cl2 Fe N10 O8 S2 -","- C192 H176 Cl16 Fe8 N80 O64 S16 -","8","2","","Kershaw Cook, Laurence J.; Kulmaczewski, Rafal; Barrett, Simon A.; Halcrow, Malcolm A.","Iron(ii) complexes of 4-sulfanyl-, 4-sulfinyl- and 4-sulfonyl-2,6-dipyrazolylpyridine ligands. A subtle interplay between spin-crossover and crystallographic phase changes","Inorganic Chemistry Frontiers","2015","2","7","662","","10.1039/C5QI00083A","","","1.54184","CuKα","","0.0636","0.0488","","","0.111","0.1198","","","","","","1.037","","","","has coordinates","233490","2020-10-21","18:00:00",""
"4348968","6.223","0.004","11.054","0.008","19.003","0.013","90","","90","","90","","1307.2","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Co2 O8 P -","- C11 H11 Co2 O8 P -","- C44 H44 Co8 O32 P4 -","4","1","","Liu, Bei; Xu, Yan; Bao, Song-Song; Huang, Xin-Da; Liu, Min; Zheng, Li-Min","Enantioenriched Cobalt Phosphonate Containing Δ-Type Chains and Showing Slow Magnetization Relaxation.","Inorganic chemistry","2016","55","19","9521","9523","10.1021/acs.inorgchem.6b01854","","","0.71073","MoKα","","0.1592","0.0659","","","0.0989","0.121","","","","","","1","","","","has coordinates","233516","2020-10-21","18:00:00",""
"4349065","7.5587","0.0005","10.947","0.0007","23.1518","0.0014","90","","90","","90","","1915.7","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl Cu N6 O3 -","- C19 H17 Cl Cu N6 O3 -","- C76 H68 Cl4 Cu4 N24 O12 -","4","1","","Leite, Sílvia M G; Lima, Luís M P; Gama, Sofia; Mendes, Filipa; Orio, Maylis; Bento, Isabel; Paulo, António; Delgado, Rita; Iranzo, Olga","Copper(II) Complexes of Phenanthroline and Histidine Containing Ligands: Synthesis, Characterization and Evaluation of their DNA Cleavage and Cytotoxic Activity.","Inorganic chemistry","2016","55","22","11801","11814","10.1021/acs.inorgchem.6b01884","","","0.71073","MoKα","","0.0705","0.0456","","","0.0878","0.0998","","","","","","0.804","","","","has coordinates","233562","2020-10-21","18:00:00",""
"4349066","7.0381","0.0005","10.7231","0.0008","26.0409","0.0016","90","","90","","90","","1965.3","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl Cu N5 Na0.25 O5 -","- C19 H17 Cl Cu N5 Na0.25 O5 -","- C76 H68 Cl4 Cu4 N20 Na O20 -","4","1","","Leite, Sílvia M G; Lima, Luís M P; Gama, Sofia; Mendes, Filipa; Orio, Maylis; Bento, Isabel; Paulo, António; Delgado, Rita; Iranzo, Olga","Copper(II) Complexes of Phenanthroline and Histidine Containing Ligands: Synthesis, Characterization and Evaluation of their DNA Cleavage and Cytotoxic Activity.","Inorganic chemistry","2016","55","22","11801","11814","10.1021/acs.inorgchem.6b01884","","","0.71073","MoKα","","0.0603","0.0496","","","0.1256","0.1307","","","","","","1.045","","","","has coordinates","233563","2020-10-21","18:00:00",""
"4349078","13.1762","0.0005","13.3606","0.0005","28.333","0.0011","90","","90","","90","","4987.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","JA-MA-60","","","- C40 H80 F6 Ir2 N4 P5 -","- C40 H80 F6 Ir2 N4 P5 -","- C160 H320 F24 Ir8 N16 P20 -","4","1","","Abbenseth, Josh; Finger, Markus; Würtele, Christian; Kasanmascheff, Müge; Schneider, Sven","Coupling of terminal iridium nitrido complexes","Inorganic Chemistry Frontiers","2016","3","4","469","","10.1039/C5QI00267B","","","0.71073","MoKα","","0.0407","0.0291","","","0.0431","0.0454","","","","","","1.053","","","","has coordinates","233570","2020-10-21","18:00:00",""
"4349106","13.063","0.001","14.8712","0.0011","18.7622","0.0014","90","","90","","90","","3644.8","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 B Dy N2 O12 -","- C36 H44 B Dy N2 O12 -","- C144 H176 B4 Dy4 N8 O48 -","4","1","","Ding, You-Song; Han, Tian; Hu, Yue-Qiao; Xu, Minwei; Yang, Sen; Zheng, Yan-Zhen","Syntheses, structures and magnetic properties of a series of mono- and di-nuclear dysprosium(iii)-crown-ether complexes: effects of a weak ligand-field and flexible cyclic coordination modes","Inorganic Chemistry Frontiers","2016","3","6","798","","10.1039/C5QI00308C","","","0.71073","MoKα","","0.0365","0.0316","","","0.0695","0.0713","","","","","","1.024","","","","has coordinates","233582","2020-10-21","18:00:00",""
"4349169","18.237","0.004","32.482","0.007","12.878","0.003","90","","90","","90","","7629","3","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H26 Br2 F12 N6 O P2 Ru -","- C35 H26 Br2 F12 N6 O P2 Ru -","- C280 H208 Br16 F96 N48 O8 P16 Ru8 -","8","2","","Iranmanesh, Hasti; Arachchige, Kasun S. A.; Bhadbhade, Mohan; Donald, William A.; Liew, Jane Y.; Liu, Kenny T.-C.; Luis, Ena T.; Moore, Evan G.; Price, Jason R.; Yan, Hong; Yang, Jiajia; Beves, Jonathon E.","Chiral Ruthenium(II) Complexes as Supramolecular Building Blocks for Heterometallic Self-Assembly.","Inorganic chemistry","2016","55","24","12737","12751","10.1021/acs.inorgchem.6b02007","","","0.71073","MoKα","","0.0497","0.048","","","0.1249","0.1262","","","","","","1.043","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4349175","10.32728","0.00015","11.1756","0.00016","16.8866","0.0002","90","","90","","90","","1948.94","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Cl N3 Pt -","- C20 H25 Cl N4 Pt -","- C80 H100 Cl4 N16 Pt4 -","4","1","","Ai, Yeye; Li, Yongguang; Ma, Huiqing; Su, Cheng-Yong; Yam, Vivian Wing-Wah","Cyclometalated Platinum(II) Complexes of 1,3-Bis(1-n-butylpyrazol-3-yl)benzenes: Synthesis, Characterization, Electrochemical, Photophysical, and Gelation Behavior Studies.","Inorganic chemistry","2016","55","22","11920","11929","10.1021/acs.inorgchem.6b02033","","","1.54184","CuKα","","0.0231","0.0226","","","0.0584","0.0588","","","","","","1.046","","","","has coordinates","233665","2020-10-21","18:00:00",""
"4349184","9.3751","0.0005","11.72","0.0008","15.59","0.0008","90","","90","","90","","1712.97","0.17","150","2","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H27 B8 N -","- C12 H27 B8 N -","- C48 H108 B32 N4 -","4","1","","Tok, Oleg L.; Růžičková, Zdenka; Růžička, Aleš; Hnyk, Drahomír; Štíbr, Bohumil","Prototropic μ-H<sup>8,9</sup> and μ-H<sup>9,10</sup> Tautomers Derived from the [nido-5,6-C<sub>2</sub>B<sub>8</sub>H<sub>11</sub>]<sup>-</sup> Anion.","Inorganic chemistry","2016","55","20","10122","10124","10.1021/acs.inorgchem.6b02076","","","0.71073","MoKα","","0.0941","0.059","","","0.1264","0.1496","","","","","","1.056","","","","has coordinates","233679","2020-10-21","18:00:00",""
"4349219","8.67175","0.00008","14.51053","0.00013","22.1269","0.0002","90","","90","","90","","2784.27","0.04","100","10","100","10","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Mg N5 -","- C29 H41 Mg N5 -","- C116 H164 Mg4 N20 -","4","1","","Ren, Wenshan; Gu, Defa","An Azobenzenyl Anion Radical Complex of Magnesium: Synthesis, Structure, and Reactivity Studies.","Inorganic chemistry","2016","55","22","11962","11970","10.1021/acs.inorgchem.6b02114","","x-ray","1.54184","CuKα","","0.0344","0.0336","","","0.0886","0.0892","","","","","","1.051","","","","has coordinates","233726","2020-10-21","18:00:00",""
"4349232","8.874","0.004","18.951","0.009","20.467","0.009","90","","90","","90","","3442","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","OReCl2(BDI)","","","- C33 H51 Cl2 N2 O2 Re -","- C33 H51 Cl2 N2 O2 Re -","- C132 H204 Cl8 N8 O8 Re4 -","4","1","","Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John","Oxygen Atom Transfer and Intramolecular Nitrene Transfer in a Rhenium β-Diketiminate Complex.","Inorganic chemistry","2016","55","22","11993","12000","10.1021/acs.inorgchem.6b02122","","","0.7749","synchrotron","","0.028","0.0255","","","0.0583","0.0591","","","","","","1.071","","","","has coordinates","288178","2023-12-08","09:51:07",""
"4349252","6.246","0.002","16.761","0.006","24.627","0.009","90","","90","","90","","2578.2","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O6 Zn -","- C30 H28 N2 O6 Zn -","- C120 H112 N8 O24 Zn4 -","4","1","","Song, Jeong Hwa; Kim, Yeonga; Lim, Kwang Soo; Kang, Dong Won; Lee, Woo Ram; Hong, Chang Seop","Phase Transformation, Exceptional Quenching Efficiency, and Discriminative Recognition of Nitroaromatic Analytes in Hydrophobic, Nonporous Zn(II) Coordination Frameworks.","Inorganic chemistry","2017","56","1","305","312","10.1021/acs.inorgchem.6b02178","","","0.71073","MoKα","","0.1078","0.0661","","","0.1392","0.167","","","","","","0.948","","","","has coordinates","233765","2020-10-21","18:00:00",""
"4349269","9.944","0.003","13.65","0.004","21.27","0.006","90","","90","","90","","2887.1","1.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 Cl9 N6 Ru -","- C23 H15 Cl9 N6 Ru -","- C92 H60 Cl36 N24 Ru4 -","4","1","","Ghosh, Prabir; Banerjee, Soumyodip; Lahiri, Goutam Kumar","Ruthenium Derivatives of in Situ Generated Redox-Active 1,2-Dinitrosobenzene and 2-Nitrosoanilido. Diverse Structural and Electronic Forms.","Inorganic chemistry","2016","55","24","12832","12843","10.1021/acs.inorgchem.6b02197","","","0.7107","MoKα","","0.0364","0.034","","","0.0863","0.0946","","","","","","1.104","","","","has coordinates","233795","2020-10-21","18:00:00",""
"4349275","12.716","0.002","21.785","0.004","32.824","0.006","90","","90","","90","","9093","3","190","2","190","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C81.46 H48 Cl10.38 D3.46 O18 Ru8 S2 -","- C79.632 H48 Cl4.896 D1.632 O18 Ru8 S2 -","- C318.528 H192 Cl19.584 D6.528 O72 Ru32 S8 -","4","1","","Białek, Michał J; Sprutta, Natasza; Latos-Grażyński, Lechosław","Coordination-Induced Molecular Tweezing: Ruthenium Clusters Docked at Azuliporphyrinogens.","Inorganic chemistry","2016","55","22","12061","12073","10.1021/acs.inorgchem.6b02228","","","1.54178","CuKα","","0.1194","0.0625","","","0.1071","0.1201","","","","","","0.823","","","","has coordinates","233801","2020-10-21","18:00:00",""
"4349287","21.622","0.002","23.982","0.002","35.304","0.004","90","","90","","90","","18306","3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C166 H208 B4 Br4 Co5 Fe4 N44 O22 -","- C127 H126 B4 Br4 Co5 Fe4 N44 O7 -","- C508 H504 B16 Br16 Co20 Fe16 N176 O28 -","4","1","","Wei, Rong-Jia; Shiga, Takuya; Newton, Graham N.; Robinson, David; Takeda, Sadamu; Oshio, Hiroki","A Cyanide-Bridged Magnetically Switchable Cage with Encapsulated Water Molecules.","Inorganic chemistry","2016","55","23","12114","12117","10.1021/acs.inorgchem.6b02306","","","0.71","MoKα","","0.0911","0.08","","","0.1909","0.1964","","","","","","1.061","","","","has coordinates,has disorder","233817","2020-10-21","18:00:00",""
"4349288","21.432","0.004","24.169","0.004","35.472","0.006","90","","90","","90","","18374","6","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C160 H188 B4 Br4 Co5 D8 Fe4 N44 O20 -","- C130 H128 B4 Br4 Co5 D4 Fe4 N44 O8 -","- C520 H512 B16 Br16 Co20 D16 Fe16 N176 O32 -","4","1","","Wei, Rong-Jia; Shiga, Takuya; Newton, Graham N.; Robinson, David; Takeda, Sadamu; Oshio, Hiroki","A Cyanide-Bridged Magnetically Switchable Cage with Encapsulated Water Molecules.","Inorganic chemistry","2016","55","23","12114","12117","10.1021/acs.inorgchem.6b02306","","","0.71073","MoKα","","0.0737","0.0593","","","0.1385","0.1444","","","","","","1.038","","","","has coordinates,has disorder","233817","2020-10-21","18:00:00",""
"4349292","10.0036","0.0005","13.3611","0.0007","13.6771","0.0007","90","","90","","90","","1828.07","0.16","160","2","160","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl2 N4 O0 Ru -","- C16 H24 Cl2 N4 Ru -","- C64 H96 Cl8 N16 Ru4 -","4","1","","Guan, Chao; Zhang, Dan-Dan; Pan, Yupeng; Iguchi, Masayuki; Ajitha, Manjaly J.; Hu, Jinsong; Li, Huaifeng; Yao, Changguang; Huang, Mei-Hui; Min, Shixiong; Zheng, Junrong; Himeda, Yuichiro; Kawanami, Hajime; Huang, Kuo-Wei","Dehydrogenation of Formic Acid Catalyzed by a Ruthenium Complex with an N,N'-Diimine Ligand.","Inorganic chemistry","2017","56","1","438","445","10.1021/acs.inorgchem.6b02334","","","1.54178","CuKα","","0.0297","0.029","","","0.0774","0.0818","","","","","","1.101","","","","has coordinates","233825","2020-10-21","18:00:00",""
"4349331","12.8738","0.0011","12.8805","0.0011","14.9102","0.0012","90","","90","","90","","2472.4","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H35 Cl4 Fe2 N5 O -","- C16 H35 Cl4 Fe2 N5 O -","- C64 H140 Cl16 Fe8 N20 O4 -","4","1","","Zhou, Ang; Prakash, Jai; Rohde, Gregory T.; Klein, Johannes E. M. N.; Kleespies, Scott T.; Draksharapu, Apparao; Fan, Ruixi; Guo, Yisong; Cramer, Christopher J.; Que, Jr, Lawrence","The Two Faces of Tetramethylcyclam in Iron Chemistry: Distinct Fe-O-M Complexes Derived from [Fe<sup>IV</sup>(O<sub>anti/syn</sub>)(TMC)]<sup>2+</sup> Isomers.","Inorganic chemistry","2017","56","1","518","527","10.1021/acs.inorgchem.6b02417","","","0.71073","MoKα","","0.0257","0.0227","","","0.0502","0.0517","","","","","","1.02","","","","has coordinates","233864","2020-10-21","18:00:00",""
"4349337","8.3425","0.0007","11.9337","0.0015","21.6641","0.0018","90","","90","","90","","2156.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Cu3 N13 O5 -","- C10 H12 Cu3 N13 O5 -","- C40 H48 Cu12 N52 O20 -","4","1","","Liu, Juan; Wang, Fei; Ding, Qing-Rong; Zhang, Jian","Synthesis of an Enantipure Tetrazole-Based Homochiral Cu<sup>I,II</sup>-MOF for Enantioselective Separation.","Inorganic chemistry","2016","55","24","12520","12522","10.1021/acs.inorgchem.6b02514","","","1.54184","CuKα","","0.0698","0.0608","","","0.1753","0.1868","","","","","","1.076","","","","has coordinates","233868","2020-10-21","18:00:00",""
"4349355","11.1559","0.0002","17.1622","0.0003","19.284","0.0003","90","","90","","90","","3692.11","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 Ce N2 Si4 -","- C32 H50 Ce N2 Si4 -","- C128 H200 Ce4 N8 Si16 -","4","1","","Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P.","Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes.","Inorganic chemistry","2017","56","5","2496","2505","10.1021/acs.inorgchem.6b02683","","","1.54178","CuKα","","0.0366","0.0355","","","0.0843","0.085","","","","","","1.057","","","","has coordinates","233893","2020-10-21","18:00:00",""
"4349400","7.10824","0.00007","13.14264","0.00013","15.5152","0.00017","90","","90","","90","","1449.45","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-chloro-N-(chloro(phenyl)phosphanyl)-N-methyl-1-phenylphosphanamine","","- C13 H13 Cl2 N P2 -","- C13 H13 Cl2 N P2 -","- C52 H52 Cl8 N4 P8 -","4","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","x-ray","1.54184","CuKα","","0.0252","0.0246","","","0.0656","0.0661","","","","","","1.072","","","","has coordinates","233939","2020-10-21","18:00:00",""
"4349402","9.046","0.0002","9.9214","0.0002","17.2512","0.0004","90","","90","","90","","1548.28","0.06","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N P2 S3 -","- C13 H13 N P2 S3 -","- C52 H52 N4 P8 S12 -","4","1","","Yogendra, Sivathmeehan; Hennersdorf, Felix; Weigand, Jan J.","Nitrogen-Phosphorus(III)-Chalcogen Macrocycles for the Synthesis of Polynuclear Silver(I) Sandwich Complexes.","Inorganic chemistry","2017","56","15","8698","8704","10.1021/acs.inorgchem.7b00141","","","0.71073","MoKα","","0.0402","0.0352","","","0.0868","0.0889","","","","","","1.114","","","","has coordinates,has disorder","233943","2020-10-21","18:00:00",""
"4349414","12.3344","0.0005","12.9838","0.0006","13.302","0.0007","90","","90","","90","","2130.28","0.17","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 B I6 N Si -","- C8 H20 B I6 N Si -","- C32 H80 B4 I24 N4 Si4 -","4","1","","Teichmann, Julian; Bursch, Markus; Köstler, Benedikt; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias","Trapping Experiments on a Trichlorosilanide Anion: a Key Intermediate of Halogenosilane Chemistry.","Inorganic chemistry","2017","56","15","8683","8688","10.1021/acs.inorgchem.7b00216","","","0.71073","MoKα","","0.0231","0.0209","","","0.0427","0.0432","","","","","","1.093","","","","has coordinates","233964","2020-10-21","18:00:00",""
"4349470","11.5185","0.0008","18.7898","0.0014","19.2943","0.0014","90","","90","","90","","4175.9","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 B2 Cu F8 N7 -","- C44 H41 B2 Cu F8 N7 -","- C176 H164 B8 Cu4 F32 N28 -","4","1","","Porwol, Luzian; Henson, Alon; Kitson, Philip J.; Long, De-Liang; Cronin, Leroy","On the fly multi-modal observation of ligand synthesis and complexation of Cu complexes in flow with ‘benchtop’ NMR and mass spectrometry","Inorganic Chemistry Frontiers","2016","3","7","919","","10.1039/C6QI00079G","","","0.71073","MoKα","","0.038","0.033","","","0.084","0.086","","","","","","1.03","","","","has coordinates","234800","2020-10-21","18:00:00",""
"4349504","8.454","0.002","18.86","0.004","23.003","0.005","90","","90","","90","","3667.7","1.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ni-MSSC-cis","","- C38 H40 N6 Ni S4 -","- C38 H40 N6 Ni S4 -","- C152 H160 N24 Ni4 S16 -","4","1","","Yu, Hao; He, Cheng; Xu, Jing; Duan, Chunying; Reek, Joost N. H.","Metal‒organic redox vehicles to encapsulate organic dyes for photocatalytic protons and carbon dioxide reduction","Inorganic Chemistry Frontiers","2016","3","10","1256","","10.1039/C6QI00211K","","","0.71073","MoKα","","0.0866","0.0556","","","0.1143","0.1268","","","","","","1.008","","","","has coordinates","234832","2020-10-21","18:00:00",""
"4349508","12.6427","0.0013","12.643","","14.7501","0.0016","90","","90","","90","","2357.7","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl3 In N2 O7 -","- C20 H20 Cl3 In N2 O7 -","- C80 H80 Cl12 In4 N8 O28 -","4","1","","Du, Xi; Fan, Ruiqing; Fan, Jizhuang; Qiang, Liangsheng; Song, Yang; Dong, Yuwei; Xing, Kai; Wang, Ping; Yang, Yulin","Self-assembly of two supramolecular indium(iii) metal‒organic frameworks for reversible iodine capture and large band gap change semiconductor behavior","Inorganic Chemistry Frontiers","2016","3","11","1480","","10.1039/C6QI00259E","","","0.71073","MoKα","","0.0594","0.0396","","","0.0941","0.1169","","","","","","1.086","","","","has coordinates","234838","2020-10-21","18:00:00",""
"4349560","12.4118","0.0009","13.9055","0.0016","13.967","0.0016","90","","90","","90","","2410.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 Co N5 O2 -","- C24 H28 Cl2 Co N5 O2 -","- C96 H112 Cl8 Co4 N20 O8 -","4","1","","Yadav, Sunil; Kumar, Sushil; Gupta, Rajeev","Cobalt complexes of pyrrolecarboxamide ligands as catalysts in nitro reduction reactions: influence of electronic substituents on catalysis and mechanistic insights","Inorganic Chemistry Frontiers","2017","4","2","324","","10.1039/C6QI00389C","","","0.71073","MoKα","","0.0919","0.0835","","","0.2028","0.206","","","","","","1.167","","","","has coordinates","234883","2020-10-21","18:00:00",""
"4349579","8.3881","0.0003","9.2948","0.0005","15.6577","0.0006","90","","90","","90","","1220.76","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O S3 -","- C11 H14 O S3 -","- C44 H56 O4 S12 -","4","1","","Andrade, Marta M.; Silva, Rafaela A. L.; Santos, Isabel C.; Lopes, Elsa B.; Rabaça, Sandra; Pereira, Laura C. J.; Coutinho, Joana T.; Telo, João P.; Rovira, Concepció; Almeida, Manuel; Belo, Dulce","Gold and nickel alkyl substituted bis-thiophenedithiolene complexes: anionic and neutral forms","Inorganic Chemistry Frontiers","2017","4","2","270","","10.1039/C6QI00447D","","","0.71073","MoKα","","0.042","0.032","","","0.0628","0.0654","","","","","","1.04","","","","has coordinates","234898","2020-10-21","18:00:00",""
"4349661","8.3519","0.0001","8.3673","0.0002","14.2217","0.0003","90","","90","","90","","993.85","0.03","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 I N -","- C6 H16 I N -","- C24 H64 I4 N4 -","4","1","","Piecha-Bisiorek, A.; Gągor, A.; Isakov, D.; Zieliński, P.; Gałązka, M.; Jakubas, R.","Phase sequence in diisopropylammonium iodide: avoided ferroelectricity by the appearance of a reconstructed phase","Inorganic Chemistry Frontiers","2017","4","3","553","","10.1039/C6QI00583G","","","0.71073","MoKα","","0.0457","0.0241","","","0.049","0.0534","","","","","","0.932","","","","has coordinates","234958","2020-10-21","18:00:00",""
"4349748","8.2425","0.0002","15.2469","0.0004","23.4816","0.0006","90","","90","","90","","2950.99","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 Cu2 N9 O11 -","- C20 H35 Cu2 N9 O11 -","- C80 H140 Cu8 N36 O44 -","4","1","","Radi, Smaail; El Massaoudi, Mohamed; Bacquet, Maryse; Degoutin, Stéphanie; Adarsh, N. N.; Robeyns, Koen; Garcia, Yann","A novel environment-friendly hybrid material based on a modified silica gel with a bispyrazole derivative for the removal of ZnII, PbII, CdII and CuII traces from aqueous solutions","Inorganic Chemistry Frontiers","2017","4","11","1821","","10.1039/C7QI00322F","","","0.71073","MoKα","","0.0687","0.0492","","","0.0958","0.1034","","","","","","1.034","","","","has coordinates","235788","2020-10-21","18:00:00",""
"4349827","7.624","0.002","9.745","0.003","15.392","0.005","90","","90","","90","","1143.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 N7 O2 S Zn -","- C6 H7 N7 O2 S Zn -","- C24 H28 N28 O8 S4 Zn4 -","4","1","","Li, Min-Yu; Zhang, Hai-Xia; Wang, Fei; Zhang, Jian","Synthesis of zeolitic tetrazolate-imidazolate frameworks (ZTIFs) in ethylene glycol","Inorganic Chemistry Frontiers","2018","5","3","675","","10.1039/C7QI00765E","","","0.71073","MoKα","","0.0281","0.0241","","","0.0467","0.0478","","","","","","0.943","","","","has coordinates","235866","2020-10-21","18:00:00",""
"4349828","8.7052","0.0017","10.349","0.002","10.742","0.002","90","","90","","90","","967.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Mn N5 O3 -","- C6 H3 Mn N5 O3 -","- C24 H12 Mn4 N20 O12 -","4","1","","Wang, Jiao-Yang; Yang, Qian; Zhang, Yi-Quan; Che, Guang-Bo; Zhao, Jiong-Peng; Liu, Fu-Chen","Two isomorphous azide/formate Mn(ii) coordination polymers show spin-canted antiferromagnetism only in the formate system","Inorganic Chemistry Frontiers","2018","5","3","719","","10.1039/C7QI00789B","","","0.71073","MoKα","","0.097","0.0722","","","0.1582","0.1682","","","","","","1.154","","","","has coordinates","235869","2020-10-21","18:00:00",""
"4349829","9.2234","0.0018","9.795","0.002","10.601","0.002","90","","90","","90","","957.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Mn N2 O5 -","- C7 H4 Mn N2 O5 -","- C28 H16 Mn4 N8 O20 -","4","1","","Wang, Jiao-Yang; Yang, Qian; Zhang, Yi-Quan; Che, Guang-Bo; Zhao, Jiong-Peng; Liu, Fu-Chen","Two isomorphous azide/formate Mn(ii) coordination polymers show spin-canted antiferromagnetism only in the formate system","Inorganic Chemistry Frontiers","2018","5","3","719","","10.1039/C7QI00789B","","","0.71073","MoKα","","0.1168","0.1066","","","0.2356","0.2422","","","","","","1.155","","","","has coordinates","235869","2020-10-21","18:00:00",""
"4349880","11.255","0.003","12.65","0.0015","19.805","0.002","90","","90","","90","","2819.8","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 I N2 O5 Pt -","- C28 H35 I N2 O5 Pt -","- C112 H140 I4 N8 O20 Pt4 -","4","1","","Cucciolito, Maria Elena; De Luca Bossa, Ferdinando; Esposito, Roberto; Ferraro, Giarita; Iadonisi, Alfonso; Petruk, Ganna; D'Elia, Luigi; Romanetti, Claudia; Traboni, Serena; Tuzi, Angela; Monti, Daria Maria; Merlino, Antonello; Ruffo, Francesco","C-Glycosylation in platinum-based agents: a viable strategy to improve cytotoxicity and selectivity","Inorganic Chemistry Frontiers","2018","5","11","2921","","10.1039/C8QI00664D","","","0.71073","MoKα","","0.0315","0.0254","","","0.051","0.053","","","","","","1.077","","","","has coordinates","236918","2020-10-21","18:00:00",""
"4349947","7.6721","0.0002","11.4426","0.0002","15.8174","0.0004","90","","90","","90","","1388.59","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","HL","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","","Ansari, Shagufi N.; Saini, Anoop K.; Kumari, Pratibha; Mobin, Shaikh M.","An imidazole derivative-based chemodosimeter for Zn2+ and Cu2+ ions through “ON‒OFF‒ON” switching with intracellular Zn2+ detection","Inorganic Chemistry Frontiers","2019","6","3","736","","10.1039/C8QI01127C","","","0.71073","MoKα","","0.0432","0.0403","","","0.1086","0.111","","","","","","1.164","","","","has coordinates","236970","2020-10-21","18:00:00",""
"4350045","9.7176","0.0008","10.6577","0.0006","18.0389","0.0012","90","","90","","90","","1868.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl2 N2 Zn -","- C17 H24 Cl2 N2 Zn -","- C68 H96 Cl8 N8 Zn4 -","4","1","","Cho, Juhyun; Jeong, Jong Hwa; Lee, Myung Won; Kang, Youn K.","Interrogation of fractional crystallization behavior of a newly exploited chiral resolution method for racemic 1-(pyridin-2-yl)ethylamine via DFT-D3 calculations of cohesive energy","Inorganic Chemistry Frontiers","2019","6","9","2325","","10.1039/C9QI00523D","","","0.71073","MoKα","","0.0452","0.0262","","","0.0648","0.0682","","","","","","1.036","","","","has coordinates","237959","2020-10-21","18:00:00",""
"4350046","11.1816","0.0009","12.7406","0.0012","13.2577","0.0013","90","","90","","90","","1888.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl2 N2 Zn -","- C17 H24 Cl2 N2 Zn -","- C68 H96 Cl8 N8 Zn4 -","4","1","","Cho, Juhyun; Jeong, Jong Hwa; Lee, Myung Won; Kang, Youn K.","Interrogation of fractional crystallization behavior of a newly exploited chiral resolution method for racemic 1-(pyridin-2-yl)ethylamine via DFT-D3 calculations of cohesive energy","Inorganic Chemistry Frontiers","2019","6","9","2325","","10.1039/C9QI00523D","","","0.71073","MoKα","","0.0421","0.0347","","","0.1163","0.1292","","","","","","1.175","","","","has coordinates","237959","2020-10-21","18:00:00",""
"4350107","10.8909","0.0002","15.2773","0.0004","26.0826","0.0006","90","","90","","90","","4339.72","0.17","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tris[tris(2-pyridyl)phosphine)thiocyanato-silver(I)]","","- C46 H36 Ag N10 P3 S -","- C46 H36 Ag N10 P3 S -","- C184 H144 Ag4 N40 P12 S4 -","4","1","","Artem'ev, Alexander V.; Shafikov, Marsel Z.; Schinabeck, Alexander; Antonova, Olga V.; Berezin, Alexey S.; Bagryanskaya, Irina Yu.; Plusnin, Pavel E.; Yersin, Hartmut","Sky-blue thermally activated delayed fluorescence (TADF) based on Ag(i) complexes: strong solvation-induced emission enhancement","Inorganic Chemistry Frontiers","2019","6","11","3168","","10.1039/C9QI01069F","","","0.71073","MoKα","","0.0397","0.0306","","","0.0648","0.069","","","","","","1.015","","","","has coordinates","238004","2020-10-21","18:00:00",""
"4350122","17.3516","0.0006","20.0932","0.0007","20.9362","0.0007","90","","90","","90","","7299.4","0.4","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 Cl2 Ir2 N4 O2 P2 -","- C35 H42 Cl2 Ir2 N4 O2 P2 -","- C280 H336 Cl16 Ir16 N32 O16 P16 -","8","2","","Dennett, James N. L.; Bierenstiel, Matthias; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Various coordination modes of the bis(di(o-N,N-dimethylanilinyl)phosphino)methane ligand in mononuclear and binuclear complexes of group 8 and group 9 metals.","Inorganic chemistry","2006","45","9","3705","3717","10.1021/ic051639c","","","0.71073","MoKα","","0.0238","0.021","","","0.0484","0.0491","","","","","","1.042","","","","has coordinates","239749","2020-10-21","18:00:00",""
"4350213","8.4679","0.0003","14.0642","0.0006","25.137","0.001","90","","90","","90","","2993.7","0.2","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(PaPy3)Fe(CO)](ClO4).4MeOH","","","- C25 H36 Cl Fe N5 O10 -","- C25 H35 Cl Fe N5 O10 -","- C100 H140 Cl4 Fe4 N20 O40 -","4","1","","Afshar, Raman K.; Patra, Apurba K.; Bill, Eckhard; Olmstead, Marilyn M.; Mascharak, Pradip K.","Synthesis, structure, and properties of an Fe(II) carbonyl [(PaPy3)Fe(CO)](ClO4): insight into the reactivity of Fe(II)-CO and Fe(II)-NO moieties in non-heme iron chelates of N-donor ligands.","Inorganic chemistry","2006","45","9","3774","3781","10.1021/ic060020n","","","0.71073","MoKα","","0.0556","0.0397","","","0.091","0.1009","","","","","","1.052","","","","has coordinates,has disorder","239791","2020-10-21","18:00:00",""
"4350285","10.962","0.003","15.106","0.004","28.887","0.007","90","","90","","90","","4783","2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H61 Cl Er3 Li O6 -","- C46 H61 Cl Er3 Li O6 -","- C184 H244 Cl4 Er12 Li4 O24 -","4","1","","Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.","Inorganic chemistry","2006","45","15","5867","5877","10.1021/ic0602998","","","0.71073","MoKα","","0.0659","0.0474","","","0.0916","0.0986","","","","","","1.037","","","","has coordinates","239822","2020-10-21","18:00:00",""
"4350339","21.187","0.006","24.286","0.005","13.22","0.005","90","","90","","90","","6802","4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H59 F28 La N Na O8 -","- C58 H59 F28 La N Na O8 -","- C232 H236 F112 La4 N4 Na4 O32 -","4","1","","Shirotani, Dai; Suzuki, Takayoshi; Kaizaki, Sumio","Novel configurational structures of sodium tetrakis(3-heptafluorobutylryl-(+)-camphorato) Ln(III) complexes with a trapped Na+ by Na+...FC interactions in the solid state and in solution.","Inorganic chemistry","2006","45","16","6111","6113","10.1021/ic0606633","","","0.71069","MoKα","","0.3307","0.0486","","","0.1057","0.1596","","","","","","0.934","","","","has coordinates","239845","2020-10-21","18:00:00",""
"4350440","7.7373","0.0007","12.6583","0.0016","13.9407","0.0013","90","","90","","90","","1365.4","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TcCl4(THF)2","Tetrachlorobis(tetrahydrofurane)technetium(IV)","","- C8 H16 Cl4 O2 Tc -","- C8 H16 Cl4 O2 Tc -","- C32 H64 Cl16 O8 Tc4 -","4","1","","Hagenbach, Adelheid; Yegen, Eda; Abram, Ulrich","Technetium tetrachloride as a precursor for small technetium(IV) complexes.","Inorganic chemistry","2006","45","18","7331","7338","10.1021/ic060896u","","","0.71073","MoKα","","0.0522","0.0518","","","0.1419","0.1425","","","","","","1.037","","","","has coordinates","239897","2020-10-21","18:00:00",""
"4350555","11.9318","0.0009","12.5446","0.0009","20.7065","0.0015","90","","90","","90","","3099.3","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(SIPr)Cu(NHPh)","","","- C33 H44 Cu N3 -","- C33 H44 Cu N3 -","- C132 H176 Cu4 N12 -","4","1","","Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Pierpont, Aaron W.; Petersen, Jeffrey L.; Boyle, Paul D.","Chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands: reactivity consistent with both early and late transition metal systems.","Inorganic chemistry","2006","45","22","9032","9045","10.1021/ic0611995","","","0.71073","MoKα","","0.0605","0.0408","","","0.0931","0.1032","","","","","","1.019","","","","has coordinates","239941","2020-10-21","18:00:00",""
"4350571","9.02","0.003","10.351","0.004","30.054","0.01","90","","90","","90","","2806","1.7","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Ag Cl N4 O10 -","- C28 H22 Ag Cl N4 O10 -","- C112 H88 Ag4 Cl4 N16 O40 -","4","1","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.1898","0.0625","","","0.1079","0.1407","","","","","","0.909","","","","has coordinates,has disorder","239945","2020-10-21","18:00:00",""
"4350572","8.9908","0.0015","10.4041","0.0017","29.832","0.005","90","","90","","90","","2790.5","0.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Ag B F4 N4 O6 -","- C28 H22 Ag B F4 N4 O6 -","- C112 H88 Ag4 B4 F16 N16 O24 -","4","1","","Dong, Yu-Bin; Sun, Ting; Ma, Jian-Ping; Zhao, Xia-Xia; Huang, Ru-Qi","Ag(I) and Cu(II) discrete and polymeric complexes based on single- and double-armed oxadiazole-bridging organic clips.","Inorganic chemistry","2006","45","26","10613","10628","10.1021/ic0612552","","","0.71073","MoKα","","0.1569","0.0653","","","0.1433","0.1796","","","","","","0.919","","","","has coordinates","239945","2020-10-21","18:00:00",""
"4350596","7.0377","0.0014","13.483","0.003","18.421","0.004","90","","90","","90","","1748","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl N P2 Se -","- C12 H28 Cl N P2 Se -","- C48 H112 Cl4 N4 P8 Se4 -","4","1","","Konu, Jari; Chivers, Tristram; Tuononen, Heikki M.","Synthesis, spectroscopic, and structural investigation of the cyclic [N(PR2E)2]+ cations (E = Se, Te; R = iPr, Ph): the effect of anion and R-group exchange.","Inorganic chemistry","2006","45","26","10678","10687","10.1021/ic061545i","","","0.71073","MoKα","","0.0521","0.04","","","0.0851","0.0905","","","","","","1.034","","","","has coordinates","239954","2020-10-21","18:00:00",""
"4350606","11.0843","0.0002","12.0184","0.0004","28.4403","0.001","90","","90","","90","","3788.7","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 Cl5 O10 P S -","- C31 H36 Cl5 O10 P S -","- C124 H144 Cl20 O40 P4 S4 -","4","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0814","0.0687","","","0.1981","0.2089","","","","","","1.093","","","","has coordinates","239959","2020-10-21","18:00:00",""
"4350608","9.9547","0.0002","17.7766","0.0005","21.086","0.0006","90","","90","","90","","3731.39","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H44 F3 O9 P S -","- C33 H44 F3 O9 P S -","- C132 H176 F12 O36 P4 S4 -","4","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.058","0.0459","","","0.0977","0.1039","","","","","","1.072","","","","has coordinates","239961","2020-10-21","18:00:00",""
"4350613","9.8098","0.0001","14.9672","0.0002","22.2989","0.0004","90","","90","","90","","3274.04","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H41 O10 P S -","- C31 H32 O10 P S -","- C124 H128 O40 P4 S4 -","4","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0807","0.0562","","","0.1185","0.1283","","","","","","1.042","","","","has coordinates","239966","2020-10-21","18:00:00",""
"4350614","10.5287","0.0002","11.8268","0.0002","34.0252","0.0007","90","","90","","90","","4236.85","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 F3 O9 P -","- C40 H49 F3 O9 P -","- C160 H196 F12 O36 P4 -","4","1","","Timosheva, Natalya V.; Chandrasekaran, A.; Holmes, Robert R.","Biologically relevant phosphoranes: synthesis and structural characterization of glucofuranose-derived phosphoranes with penta- and hexacoordination at phosphorus.","Inorganic chemistry","2006","45","26","10836","10848","10.1021/ic061596f","","","0.71073","MoKα","","0.0631","0.0533","","","0.1369","0.1445","","","","","","1.048","","","","has coordinates","239967","2020-10-21","18:00:00",""
"4350633","13.0086","0.0002","13.5437","0.0002","16.6804","0.0002","90","","90","","90","","2938.83","0.07","200","","200","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Ir3 Mo2 O11 -","- C25 H19 Ir3 Mo2 O11 -","- C100 H76 Ir12 Mo8 O44 -","4","1","","Usher, Alistair J.; Lucas, Nigel T.; Dalton, Gulliver T.; Randles, Michael D.; Viau, Lydie; Humphrey, Mark G.; Petrie, Simon; Stranger, Robert; Willis, Anthony C.; Rae, A. David","Mixed-metal cluster chemistry. 29. Core expansion and ligand-driven metal exchange at group 6-iridium clusters.","Inorganic chemistry","2006","45","26","10859","10872","10.1021/ic061736l","","","0.71073","MoKα","","","0.0214","","","","0.0228","","","","","","1.0618","","","","has coordinates","239973","2020-10-21","18:00:00",""
"4350716","17.518","0.004","22.148","0.005","34.963","0.008","90","","90","","90","","13565","5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C92 H157 Fe2 Gd2 K2 N4 O15 Si4 -","- C92 H157 Fe2 Gd2 K2 N4 O15 Si4 -","- C368 H628 Fe8 Gd8 K8 N16 O60 Si16 -","4","1","","Huang, Wenliang; Le Roy, Jennifer J.; Khan, Saeed I.; Ungur, Liviu; Murugesu, Muralee; Diaconescu, Paula L.","Tetraanionic biphenyl lanthanide complexes as single-molecule magnets.","Inorganic chemistry","2015","54","5","2374","2382","10.1021/ic5029788","","","0.71073","MoKα","","0.0722","0.0559","","","0.1364","0.1455","","","","","","1.056","","","","has coordinates","239994","2020-10-21","18:00:00",""
"4350730","7.9435","0.0002","13.8339","0.0004","7.3016","0.0002","90","","90","","90","","802.37","0.04","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0361","0.0244","","","0.0458","0.0474","","","","","","0.988","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350731","7.9415","0.0002","13.846","0.0005","7.3103","0.0002","90","","90","","90","","803.83","0.04","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0405","0.0263","","","0.049","0.0509","","","","","","0.965","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350732","7.9341","0.0003","13.8697","0.0007","7.3361","0.0003","90","","90","","90","","807.29","0.06","290","","290","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Co N2 O6 -","- C3 H8 Co N2 O6 -","- C12 H32 Co4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0497","0.0279","","","0.0497","0.0525","","","","","","0.955","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350734","7.8999","0.0002","13.7505","0.0004","7.3829","0.0002","90","","90","","90","","801.99","0.04","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Mg N2 O6 -","- C3 H8 Mg N2 O6 -","- C12 H32 Mg4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0285","0.0249","","","0.0644","0.0652","","","","","","1.141","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350735","7.8928","0.0002","13.7693","0.0004","7.4007","0.0002","90","","90","","90","","804.3","0.04","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Mg N2 O6 -","- C3 H8 Mg N2 O6 -","- C12 H32 Mg4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.033","0.0283","","","0.0747","0.0761","","","","","","1.099","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350736","7.8888","0.0002","13.7799","0.0004","7.4295","0.0002","90","","90","","90","","807.64","0.04","292","","292","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Mg N2 O6 -","- C3 H8 Mg N2 O6 -","- C12 H32 Mg4 N8 O24 -","4","1","","Chen, Sa; Shang, Ran; Hu, Ke-Li; Wang, Zhe-Ming; Gao, Song","[NH2NH3][M(HCOO)3] (M = Mn2+, Zn2+, Co2+and Mg2+): structural phase transitions, prominent dielectric anomalies and negative thermal expansion, and magnetic ordering","Inorg. Chem. Front.","2014","1","1","83","","10.1039/C3QI00034F","","","0.71073","MoKα","","0.0387","0.0307","","","0.0808","0.0835","","","","","","1.052","","","","has coordinates","244418","2020-10-21","18:00:00",""
"4350796","11.8668","0.0003","14.5601","0.0004","14.8307","0.0005","90","","90","","90","","2562.47","0.13","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Cl N2 P2 Re -","- C22 H42 Cl N2 P2 Re -","- C88 H168 Cl4 N8 P8 Re4 -","4","1","","Weber, Jeremy E.; Hasanayn, Faraj; Fataftah, Majed; Mercado, Brandon Q.; Crabtree, Robert H.; Holland, Patrick L.","Electronic and Spin-State Effects on Dinitrogen Splitting to Nitrides in a Rhenium Pincer System.","Inorganic chemistry","2021","60","9","6115","6124","10.1021/acs.inorgchem.0c03778","","","0.71073","MoKα","","0.0206","0.0198","","","0.048","0.0485","","","","","","1.111","","","","has coordinates,has disorder","264806","2021-05-03","22:04:44",""
"4350798","13.7839","0.0009","14.0865","0.0009","23.3138","0.0016","90","","90","","90","","4526.8","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Ag5 I7 N6 Zn -","- C30 H24 Ag5 I7 N6 Zn -","- C120 H96 Ag20 I28 N24 Zn4 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wu, Fan; Jiang, Xiang-Yu; Chen, Li-Na","Syntheses, crystal structures and photocatalytic properties of transition metal complex directed iodoargentates: [TM(2,2-bipy) 3 ]Ag 5 I 7","Inorganic Chemistry Communications","2017","77","","64","67","10.1016/j.inoche.2017.01.010","","","0.71073","MoKα","","0.0507","0.0355","","","0.0801","0.0859","","","","","","1.021","","","","has coordinates","272312","2022-01-28","07:55:08",""
"4350799","13.7767","0.0011","13.9933","0.0011","23.4006","0.0019","90","","90","","90","","4511.2","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Ag5 I7 N6 Ni -","- C30 H24 Ag5 I7 N6 Ni -","- C120 H96 Ag20 I28 N24 Ni4 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wu, Fan; Jiang, Xiang-Yu; Chen, Li-Na","Syntheses, crystal structures and photocatalytic properties of transition metal complex directed iodoargentates: [TM(2,2-bipy) 3 ]Ag 5 I 7","Inorganic Chemistry Communications","2017","77","","64","67","10.1016/j.inoche.2017.01.010","","","0.71073","MoKα","","0.0801","0.0427","","","0.0865","0.0992","","","","","","1.005","","","","has coordinates","272312","2022-01-28","07:55:09",""
"4350800","13.7377","0.0007","14.0394","0.0007","23.4207","0.0011","90","","90","","90","","4517.1","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Ag5 Co I7 N6 -","- C30 H24 Ag5 Co I7 N6 -","- C120 H96 Ag20 Co4 I28 N24 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Wu, Fan; Jiang, Xiang-Yu; Chen, Li-Na","Syntheses, crystal structures and photocatalytic properties of transition metal complex directed iodoargentates: [TM(2,2-bipy) 3 ]Ag 5 I 7","Inorganic Chemistry Communications","2017","77","","64","67","10.1016/j.inoche.2017.01.010","","","0.71073","MoKα","","0.0766","0.042","","","0.0889","0.1009","","","","","","1.008","","","","has coordinates","272312","2022-01-28","07:55:09",""
"4500039","11.905","0.005","12.714","0.005","27.347","0.01","90","","90","","90","","4139","3","226","2","226","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H49 N15 O6 S4 -","- C26 H49 N15 O6 S4 -","- C104 H196 N60 O24 S16 -","4","1","","Fatima Helzy; Thierry Maris; James D. Wuest","Engineering Hydrogen-Bonded Molecular Crystals Built from 1,3,5-Substituted Derivatives of Benzene: 6,6',6''-(1,3,5-Phenylene)tris-1,3,5-triazine-2,4-diamines","Cryst. Growth & Design","2008","8","","1547","1553","10.1021/cg700798z","","","1.54178","CuKα","","0.0931","0.0684","","","0.1624","0.1743","","","","","","0.987","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500070","10.6545","0.0019","14.404","0.003","29.086","0.005","90","","90","","90","","4463.8","1.4","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26.5 H25.5 N4.5 O1.5 -","- C26.5 H25.5 N4.5 O1.5 -","- C212 H204 N36 O12 -","8","2","","Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines","Cryst. Growth & Design","2005","5","","1451","1456","10.1021/cg049566f","","","1.54178","CuKα","","0.0879","0.07","","","0.2008","0.2314","","","","","","1.232","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500072","6.0353","0.0002","24.6349","0.0006","28.1607","0.0007","90","","90","","90","","4186.9","0.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 N6 O7 -","- C46 H52 N6 O7 -","- C184 H208 N24 O28 -","4","1","","Dominic Laliberté,; Thierry Maris; Eric Demers; Fatima Helzy; Mathieu Arseneault; James D. Wuest","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetra- and Hexaanilines","Cryst. Growth & Design","2005","5","","1451","1456","10.1021/cg049566f","","","1.54178","CuKα","","0.0725","0.0495","","","0.1229","0.1408","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500100","21.746","0.004","8.954","0.0018","6.159","0.0012","90","","90","","90","","1199.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cd N2 O4 S2 -","- C8 H12 Cd N2 O4 S2 -","- C32 H48 Cd4 N8 O16 S8 -","4","1","","Dong, Lanjun; Chu, Wei; Zhu, Qinlei; Huang, Rudan","Three Novel Homochiral Helical Metal−Organic Frameworks Based on Amino Acid Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2011","11","1","93","","10.1021/cg1009175","","","0.71073","MoKα","","0.036","0.0316","","","0.0672","0.0699","","","","","","1.007","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500109","10.1155","0.0009","21.3388","0.0018","27.37","0.002","90","","90","","90","","5907.9","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H60 Cd2 N8 O8 -","- C66 H60 Cd2 N8 O8 -","- C264 H240 Cd8 N32 O32 -","4","1","","Farnum, Gregory A.; Pochodylo, Amy L.; LaDuca, Robert L.","Tether Length Control of Topology in Cadmium 4-Methylphthalate Two-Dimensional Coordination Polymers: An Acentric Buckled Grid and a Rare Self-Catenated Layer","Crystal Growth & Design","2011","11","3","678","","10.1021/cg100972s","","","0.71073","MoKα","","0.0325","0.0281","","","0.0664","0.0688","","","","","","1.042","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500120","5.9114","0.0001","13.7255","0.0004","20.7588","0.0007","90","","90","","90","","1684.31","0.08","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-phenylpyridinium picrate","","- C17 H12 N4 O7 -","- C17 H12 N4 O7 -","- C68 H48 N16 O28 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0615","0.0415","","","0.0989","0.1093","","","","","","1.043","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500161","6.39832","0.00012","11.7099","0.0003","23.2362","0.0005","90","","90","","90","","1740.94","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","beta resoryclic DMSO hemisolvate","2,4-hidyroxybenzoic acid DMSO hemisolvate","","- C16 H18 O9 S -","- C16 H18 O9 S -","- C64 H72 O36 S4 -","4","1","","Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J.; Price, Sarah L.","Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?","Crystal growth & design","2011","11","1","210","220","10.1021/cg101162a","","","0.71073","MoKα","","0.0431","0.0367","","","0.0863","0.0887","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500163","5.0445","0.0003","14.93","0.0012","16.1053","0.0012","90","","90","","90","","1212.96","0.15","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dilithium L-tartrate","","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C32 H32 Li16 O48 -","8","2","","Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues","Crystal Growth & Design","2011","11","1","221","","10.1021/cg101170k","","","1.5418","CuKα","","0.0517","0.0402","","","0.1005","0.1049","","","","","","0.946","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500170","18.1535","0.0012","18.3033","0.0014","25.2354","0.0019","90","","90","","90","","8384.9","1.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C140 H122 Cd4 N28 O31 -","- C140 H122 Cd4 N28 O31 -","- C280 H244 Cd8 N56 O62 -","2","0.5","","Yao, Xiao-Qiang; Cao, Da-Peng; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Porous Coordination Polymers Based on an N-Centered Triangular Rigid Ligand","Crystal Growth & Design","2011","11","1","231","","10.1021/cg1011764","","","0.71073","MoKα","","0.0713","0.054","","","0.1019","0.1054","","","","","","1.005","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500172","14.395","0.003","19.836","0.004","28.009","0.005","90","","90","","90","","7998","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","CoMo12P-DEF","","","- C36 H90 Co Mo12 N12 O46 P -","- C36 H90 Co Mo12 N12 O46 P -","- C144 H360 Co4 Mo48 N48 O184 P4 -","4","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.0886","0.0604","","","0.1041","0.1125","","","","","","0.944","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500174","14.538","0.003","19.929","0.004","28.151","0.006","90","","90","","90","","8156","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","CoW12P-DEF","","","- C31 H24 Co N12 O46 P W12 -","- C31 H24 Co N12 O46 P W12 -","- C124 H96 Co4 N48 O184 P4 W48 -","4","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.1062","0.0907","","","0.2071","0.2201","","","","","","1.021","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500445","6.607","0.002","13.075","0.003","18.444","0.004","90","","90","","90","","1593.3","0.7","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Ca N2 O6 -","- C14 H16 Ca N2 O6 -","- C56 H64 Ca4 N8 O24 -","4","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.1372","0.0932","","","0.2044","0.2358","","","","","","1.086","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500491","6.4094","0.0015","14.857","0.004","16.066","0.005","90","","90","","90","","1529.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cu-Nitroisophthalate","","","- C9 H5 Cu2 N6 O10 -","- C9 H5 Cu2 N6 O10 -","- C36 H20 Cu8 N24 O40 -","4","1","","Sarma, Debajit; Ramanujachary, K. V.; Stock, Norbert; Natarajan, Srinivasan","High-Throughput Study of the Cu(CH3COO)2·H2O−5-Nitroisophthalic Acid−Heterocyclic Ligand System: Synthesis, Structure, Magnetic, and Heterogeneous Catalytic Studies of Three Copper Nitroisophthalates","Crystal Growth & Design","2011","11","4","1357","","10.1021/cg1015934","","","0.71073","MoKα","","0.0656","0.049","","","0.1113","0.1216","","","","","","1.042","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500497","7.789","0.001","18.282","0.002","18.558","0.002","90","","90","","90","","2642.6","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H14 F10 N6 O6 S -","- C24 H14 F10 N6 O6 S -","- C96 H56 F40 N24 O24 S4 -","4","1","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.0393","0.0328","","","0.0713","0.0746","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500504","9.253","0.004","21.321","0.01","23.611","0.012","90","","90","","90","","4658","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H69 N7 O11 S -","- C37 H69 N7 O11 S -","- C148 H276 N28 O44 S4 -","4","1","","Duley, Anju; Nethaji, Munirathinam; Ramanathan, Gurunath","A Change in the 310- to α-Helical Transition Point in the Heptapeptides Containing Sulfur and Selenium","Crystal Growth & Design","2011","11","6","2238","","10.1021/cg101604g","","","0.71073","MoKα","","0.1641","0.0694","","","0.1322","0.1752","","","","","","0.942","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500505","11.939","0.002","16.031","0.003","24.64","0.003","90","","90","","90","","4716","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H73 N7 O13 Se -","- C37 H73 N7 O13 Se -","- C148 H292 N28 O52 Se4 -","4","1","","Duley, Anju; Nethaji, Munirathinam; Ramanathan, Gurunath","A Change in the 310- to α-Helical Transition Point in the Heptapeptides Containing Sulfur and Selenium","Crystal Growth & Design","2011","11","6","2238","","10.1021/cg101604g","","","0.71073","MoKα","","0.0822","0.0579","","","0.1207","0.1351","","","","","","1.008","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500506","22.41","0.002","9.218","0.003","23.588","0.002","90","","90","","90","","4872.7","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H71 N7 O11 S -","- C42 H71 N7 O11 S -","- C168 H284 N28 O44 S4 -","4","1","","Duley, Anju; Nethaji, Munirathinam; Ramanathan, Gurunath","A Change in the 310- to α-Helical Transition Point in the Heptapeptides Containing Sulfur and Selenium","Crystal Growth & Design","2011","11","6","2238","","10.1021/cg101604g","","","0.71073","MoKα","","0.0893","0.0598","","","0.1281","0.1601","","","","","","1.04","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500507","5.2586","0.0007","11.7922","0.0014","51.155","0.007","90","","90","","90","","3172.1","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3694-25-06 (209739)","","- C36 H42 N2 O6 -","- C36 H42 N2 O6 -","- C144 H168 N8 O24 -","4","1","","Bethune, Sarah J.; Schultheiss, Nate; Henck, Jan-Olav","Improving the Poor Aqueous Solubility of Nutraceutical Compound Pterostilbene through Cocrystal Formation","Crystal Growth & Design","2011","11","7","2817","","10.1021/cg1016092","","","0.71073","MoKα","","0.1713","0.0545","","","0.0948","0.1255","","","","","","0.967","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500518","7.579","0.003","6.4","0.002","31.984","0.006","90","","90","","90","","1551.4","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H4 Cd Cl N3 O2 -","- C4 H4 Cd Cl N3 O2 -","- C32 H32 Cd8 Cl8 N24 O16 -","8","2","","Dirtu, Marinela M.; Neuhausen, Christine; Naik, Anil D.; Léonard, Alexandre; Robert, Francois; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","Superlative Scaffold of 1,2,4-Triazole Derivative of Glycine Steering Linear Chain to a Chiral Helicate","Crystal Growth & Design","2011","11","4","1375","","10.1021/cg101634w","","","0.71073","MoKα","","0.0333","0.0226","","","0.0473","0.0488","","","","","","1.079","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500624","5.8796","0.0006","21.637","0.003","33.84","0.004","90","","90","","90","","4305","0.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O4 S -","- C12 H21 N O4 S -","- C144 H252 N12 O48 S12 -","12","3","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.1615","0.0963","","","0.1804","0.2209","","","","","","1.073","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500626","6.0452","0.0004","13.2486","0.0007","18.0074","0.0009","90","","90","","90","","1442.22","0.14","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H21 N O6 S -","- C11 H20.5 N O6 S -","- C44 H82 N4 O24 S4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0703","0.0495","","","0.0817","0.0864","","","","","","1.04","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500632","7.2851","0.0001","9.6672","0.0002","17.2535","0.0003","90","","90","","90","","1215.1","0.04","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 Br N O -","- C11 H18 Br N O -","- C44 H72 Br4 N4 O4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0186","0.0161","","","0.0345","0.0347","","","","","","1.023","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500634","7.1557","0.0002","9.5708","0.0002","16.8627","0.0004","90","","90","","90","","1154.86","0.05","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 Cl N O -","- C11 H18 Cl N O -","- C44 H72 Cl4 N4 O4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0314","0.0267","","","0.0589","0.0598","","","","","","0.984","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500636","6.6465","0.0002","11.9973","0.0005","23.0394","0.001","90","","90","","90","","1837.16","0.12","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl N O4 -","- C18 H24 Cl N O4 -","- C72 H96 Cl4 N4 O16 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0553","0.0346","","","0.0562","0.0592","","","","","","0.865","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500638","8.628","0.0002","10.9921","0.0002","18.7914","0.0004","90","","90","","90","","1782.17","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0396","0.0309","","","0.0582","0.0595","","","","","","0.916","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500666","9.393","0.001","22.498","0.001","37.809","0.009","90","","90","","90","","7990","2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,3,5-tris(4-hydroxybiphenyl)mesitylene","1,3,5-tris(4-hydroxybiphenyl)mesitylene","","- C85 H97 O12 -","- C85 H91 O12 -","- C340 H364 O48 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1927","0.1046","","","0.2318","0.2699","","","","","","1.061","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500717","5.8389","0.0003","8.3195","0.0005","16.9691","0.001","90","","90","","90","","824.3","0.08","100","2","100","2","","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","L-3-phenyllactic acid","(S)-2-hydroxy-3-phenylpropionic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","","Navare, Pranoti S.; MacDonald, John C.","Investigation of Stability and Structure in Three Homochiral and Heterochiral Crystalline Forms of 3-Phenyllactic Acid","Crystal Growth & Design","2011","11","6","2422","","10.1021/cg200171r","","x-ray","0.71073","MoKα","","0.0304","0.0288","","","0.0718","0.0729","","","","","","1.064","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500725","10.5433","0.0005","11.4203","0.0006","24.5107","0.0015","90","","90","","90","","2951.3","0.3","90","0.5","90","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 I3 N4 S3 -","- C21 H33 I3 N4 S3 -","- C84 H132 I12 N16 S12 -","4","1","","Işiklan, Muhammet; Saeed, Musabbir A.; Pramanik, Avijit; Wong, Bryan M.; Fronczek, Frank R.; Hossain, Alamgir","A C Symmetric Nitrate Complex with a Thiophene-Based Tripodal Receptor.","Crystal growth & design","2011","11","4","959","963","10.1021/cg2001859","","","0.71073","MoKα","","0.048","0.038","","","0.081","0.093","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500746","24.5078","0.0015","6.2205","0.0004","7.2839","0.0005","90","","90","","90","","1110.44","0.12","569","2","569","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","","Amharar, Youness; Petit, Samuel; Sanselme, Morgane; Cartigny, Yohann; Petit, Marie-Noëlle; Coquerel, Gérard","Crystal Structures, Dehydration Mechanism, and Chiral Discrimination in the Solid State of a Hydantoin Derivative","Crystal Growth & Design","2011","11","6","2453","","10.1021/cg200243y","","x-ray","0.71073","MoKα","","0.0324","0.032","","","0.0885","0.0889","","","","","","1.065","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500825","6.7701","0.0004","16.6846","0.0011","18.9656","0.0012","90","","90","","90","","2142.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N4 O5 S -","- C23 H22 N4 O5 S -","- C92 H88 N16 O20 S4 -","4","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.029","0.0272","","","0.08","0.083","","","","","","0.895","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500861","10.1535","0.0004","13.2333","0.0006","23.732","0.0013","90","","90","","90","","3188.7","0.3","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cl2 N6 O8 Ru -","- C30 H24 Cl2 N6 O8 Ru -","- C120 H96 Cl8 N24 O32 Ru4 -","4","1","","Cheung, Eugene Y.; Fujii, Kotaro; Guo, Fang; Harris, Kenneth D. M.; Hasebe, Sayoko; Kuroda, Reiko","Structural Chemistry of a New Chiral Anhydrous Phase of Ru(bipy)3(ClO4)2Established from Powder X-ray Diffraction Analysis","Crystal Growth & Design","2011","11","8","3313","","10.1021/cg200379h","powder diffraction","x-ray","1.54056","","","","","","","","","0.05921","","4.84","","","","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500872","6.574","0.006","12.213","0.007","31.326","0.009","90","","90","","90","","2515","3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 N3 O5 -","- C23 H43 N3 O5 -","- C92 H172 N12 O20 -","4","1","","André, Vânia; Cunha-Silva, Luís; Duarte, M. Teresa; Santos, Pedro Paulo","First Crystal Structures of the Antihypertensive Drug Perindopril Erbumine: A Novel Hydrated Form and Polymorphs α and β","Crystal Growth & Design","2011","11","9","3703","","10.1021/cg200430z","","","0.71069","MoKα","","0.1918","0.1526","","","0.3855","0.4119","","","","","","1.606","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500882","8.6476","0.0002","12.7504","0.0003","15.8872","0.0004","90","","90","","90","","1751.73","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Mn N7 O -","- C16 H9 Mn N7 O -","- C64 H36 Mn4 N28 O4 -","4","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0506","0.0353","","","0.0807","0.0879","","","","","","0.992","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4500883","8.4837","0.0002","12.7231","0.0002","15.5816","0.0003","90","","90","","90","","1681.86","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Co N7 O -","- C16 H9 Co N7 O -","- C64 H36 Co4 N28 O4 -","4","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0302","0.0258","","","0.0582","0.0602","","","","","","1.048","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500884","8.3767","0.0012","12.9906","0.0018","15.469","0.002","90","","90","","90","","1683.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Cu N7 O -","- C16 H9 Cu N7 O -","- C64 H36 Cu4 N28 O4 -","4","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0293","0.0271","","","0.064","0.0648","","","","","","1.039","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500885","8.4574","0.0011","12.7306","0.0017","15.689","0.002","90","","90","","90","","1689.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 N7 O Zn -","- C16 H9 N7 O Zn -","- C64 H36 N28 O4 Zn4 -","4","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0323","0.0288","","","0.0721","0.0735","","","","","","1.054","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500897","9.5841","0.0003","10.0629","0.0003","23.0354","0.0009","90","","90","","90","","2221.62","0.13","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","catena-(mu2-1,2-bis(4-pyridyl)-ethane)- (1,2-cyclohexanedione dioxime)-(sulfato-cadmium(II))","catena-(mu2-1,2-bis(4-pyridyl)-ethane)- (1,2-cyclohexanedione dioxime)-(sulfato-cadmium(II))","","- C18 H22 Cd N4 O6 S -","- C18 H22 Cd N4 O6 S -","- C72 H88 Cd4 N16 O24 S4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kravtsov, Victor Ch.; Fonari, Marina S.","Polymeric Zn(II) and Cd(II) Sulfates with Bipyridine and Dioxime Ligands: Supramolecular Isomerism, Chirality, and Luminescence","Crystal Growth & Design","2011","11","8","3536","","10.1021/cg200465f","","","0.71073","MoKα","","0.0669","0.0401","","","0.0637","0.0749","","","","","","0.991","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500936","15.1238","0.0002","21.4542","0.0005","26.8055","0.0006","90","","90","","90","","8697.6","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H92 N25 Na3 O60 S4 U2 -","- C48 H86 N25 Na3 O60 S4 U2 -","- C192 H344 N100 Na12 O240 S16 U8 -","4","1","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0415","0.0327","","","0.0714","0.0736","","","","","","1.032","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500959","5.8124","0.0004","7.532","0.0005","16.655","0.0011","90","","90","","90","","729.14","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0272","0.0264","","","0.064","0.0647","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500967","21.60117","0.00018","12.83936","0.00012","8.86864","0.00006","90","","90","","90","","2459.67","0.04","","","293","","","","101.3","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H22 O4 -","- C33 H22 O4 -","- C132 H88 O16 -","4","1","","Kasugai, Kenta; Hashimoto, Suzumi; Imai, Kazunori; Sakon, Aya; Fujii, Kotaro; Uekusa, Hidehiro; Hayashi, Naoto; Kobayashi, Keiji","Supramolecular Networks in Crystalline Inclusion Complexes Formed from a New Host: 2,2-Bis(4-hydroxy-3-phenylphenyl)-1H-indene-1,3(2H)-dione","Crystal Growth & Design","2011","11","9","4044","","10.1021/cg200554f","powder diffraction","x-ray","1.1961","synchrotron","","","","","","","","0.05861","","1.78","","","","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500973","7.7286","0.0004","10.0328","0.0006","13.4998","0.0008","90","","90","","90","","1046.77","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Ag N4 O4 P -","- C6 H12 Ag N4 O4 P -","- C24 H48 Ag4 N16 O16 P4 -","4","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Lis, Agnieszka; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Smoleński, Piotr; Pombeiro, Armando J. L.","1,3,5-Triaza-7-phosphaadamantane-7-oxide (PTA═O): New Diamondoid Building Block for Design of Three-Dimensional Metal‒Organic Frameworks","Crystal Growth & Design","2011","11","7","2711","","10.1021/cg200571y","","","0.71073","MoKα","","0.0169","0.0165","","","0.048","0.0481","","","","","","1.166","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500989","12.1799","0.0007","16.0955","0.0012","21.5932","0.0018","90","","90","","90","","4233.2","0.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H56 Ge4 N12 Ni2 O S10 -","- C18 H56 Ge4 N12 Ni2 O S10 -","- C72 H224 Ge16 N48 Ni8 O4 S40 -","4","1","","Liu, Guang-Ning; Lin, Jian-Di; Xu, Zhong-Ning; Liu, Zhi-Fa; Guo, Guo-Cong; Huang, Jin-Shun","Spontaneous Resolution of a New Thiogermanate Containing Chiral Binuclear Nickel(II) Complexes with Achiral Triethylenetetramine Ligands: A Unique Water-Mediated Supramolecular Hybrid Helix","Crystal Growth & Design","2011","11","8","3318","","10.1021/cg2005826","","","0.71073","MoKα","","0.078","0.0496","","","0.1114","0.1273","","","","","","0.999","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500990","12.151","0.002","15.996","0.003","21.588","0.004","90","","90","","90","","4196","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H56 Ge4 N12 Ni2 O S10 -","- C18 H56 Ge4 N12 Ni2 O S10 -","- C72 H224 Ge16 N48 Ni8 O4 S40 -","4","1","","Liu, Guang-Ning; Lin, Jian-Di; Xu, Zhong-Ning; Liu, Zhi-Fa; Guo, Guo-Cong; Huang, Jin-Shun","Spontaneous Resolution of a New Thiogermanate Containing Chiral Binuclear Nickel(II) Complexes with Achiral Triethylenetetramine Ligands: A Unique Water-Mediated Supramolecular Hybrid Helix","Crystal Growth & Design","2011","11","8","3318","","10.1021/cg2005826","","","0.71073","MoKα","","0.0418","0.0379","","","0.103","0.1065","","","","","","1.009","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4501004","8.1331","0.0006","14.6556","0.001","16.8257","0.0012","90","","90","","90","","2005.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O7 S Zn -","- C17 H18 N4 O7 S Zn -","- C68 H72 N16 O28 S4 Zn4 -","4","1","","Liu, Qing-Yan; Wang, Yu-Ling; Zhang, Na; Jiang, Yun-Liang; Wei, Jia-Jia; Luo, Feng","Spontaneous Resolution in the Ionothermal Synthesis of Homochiral Zn(II) Metal‒Organic Frameworks with (10,3)-aTopology Constructed from Achiral 5-Sulfoisophthalate","Crystal Growth & Design","2011","11","9","3717","","10.1021/cg200606r","","","0.71073","MoKα","","0.0495","0.0347","","","0.0695","0.0738","","","","","","1.018","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501005","8.1331","0.0006","14.6556","0.001","16.8257","0.0012","90","","90","","90","","2005.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O7 S Zn -","- C17 H18 N4 O7 S Zn -","- C68 H72 N16 O28 S4 Zn4 -","4","1","","Liu, Qing-Yan; Wang, Yu-Ling; Zhang, Na; Jiang, Yun-Liang; Wei, Jia-Jia; Luo, Feng","Spontaneous Resolution in the Ionothermal Synthesis of Homochiral Zn(II) Metal‒Organic Frameworks with (10,3)-aTopology Constructed from Achiral 5-Sulfoisophthalate","Crystal Growth & Design","2011","11","9","3717","","10.1021/cg200606r","","","0.71073","MoKα","","0.0303","0.0277","","","0.0688","0.0699","","","","","","1.017","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501068","4.0563","0.0002","11.071","0.0004","30.9908","0.0012","90","","90","","90","","1391.71","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-methoxypyrid-3-ylammonium picrate","","- C12 H11 N5 O8 -","- C12 H11 N5 O8 -","- C48 H44 N20 O32 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.052","0.0332","","","0.0702","0.095","","","","","","1.12","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501193","6.8022","0.0008","10.412","0.0012","23.206","0.003","90","","90","","90","","1643.6","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C72 H72 N16 O8 -","4","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.71073","MoKα","","0.0442","0.042","","","0.0928","0.094","","","","","","1.162","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501220","12.299","0.002","15.006","0.003","15.438","0.003","90","","90","","90","","2849.2","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 F4 N4 O12 Zn2 -","- C24 H22 F4 N4 O12 Zn2 -","- C96 H88 F16 N16 O48 Zn8 -","4","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Li, Chao; Chen, Qun; Du, Miao","Fluorine-Induced Chiral Coordination Arrays Containing Helical Hydrogen-Bonding Chains of Water or Fluorinated Ligand","Crystal Growth & Design","2011","11","12","5171","","10.1021/cg200902g","","","0.71073","MoKα","","0.025","0.0219","","","0.0585","0.0599","","","","","","1.045","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501231","7.11422","0.00013","13.5618","0.0003","25.7091","0.0005","90","","90","","90","","2480.46","0.09","213","","213","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 N O4 -","- C26 H43 N O4 -","- C104 H172 N4 O16 -","4","1","","Hisaki, Ichiro; Murai, Taketoshi; Yabuguchi, Hirohide; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Deoxycholamide Crystalline Frameworks as a Platform of Highly-Efficient Fluorescence Materials","Crystal Growth & Design","2011","11","10","4652","","10.1021/cg200935j","","","1.54187","CuKα","","","0.0719","","","","0.2482","","","","","","1.154","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501233","7.27171","0.00013","13.271","0.0003","25.7839","0.0005","90","","90","","90","","2488.22","0.09","213","","213","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 N2 O3 -","- C26 H44 N2 O3 -","- C104 H176 N8 O12 -","4","1","","Hisaki, Ichiro; Murai, Taketoshi; Yabuguchi, Hirohide; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Deoxycholamide Crystalline Frameworks as a Platform of Highly-Efficient Fluorescence Materials","Crystal Growth & Design","2011","11","10","4652","","10.1021/cg200935j","","","1.54187","CuKα","","","0.0396","","","","0.1077","","","","","","1.067","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501270","6.8121","0.0011","13.329","0.002","32.622","0.005","90","","90","","90","","2962","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-adamantanedicarboxylic acid and 1,7-phenanthroline complex","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C144 H128 N16 O16 -","4","1","","Manjare, Yogesh; Pedireddi, V. R.","Co-Crystals of 1,3-Adamantanedicarboxylic Acid with N-Oxide and Aza Compounds","Crystal Growth & Design","2011","11","11","5079","","10.1021/cg200987z","","","0.71073","MoKα","","0.068","0.0484","","","0.1057","0.1249","","","","","","1.145","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501314","6.5568","0.0011","15.078","0.003","20.543","0.003","90","","90","","90","","2031","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N4 O7 Zn -","- C16 H28 N4 O7 Zn -","- C64 H112 N16 O28 Zn4 -","4","1","","Hao, Hong-Jun; Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Discrete Octamer Water Cluster and 1D T5(2) Water Tape Trapped in Two Luminescent Zn(II)/1,2-Bis(imidazol-1′-yl)ethane/Dicarboxylate Hosts: From 2D (4,4) Net to 3D 5-Fold Interpenetrated Diamond Network","Crystal Growth & Design","2011","11","12","5475","","10.1021/cg201067q","","","0.71073","MoKα","","0.0331","0.0322","","","0.082","0.0826","","","","","","1.049","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501417","12.3243","0.0005","15.8934","0.0006","39.6333","0.001","90","","90","","90","","7763.2","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H84 K2 N24 O44 S2 U -","- C50 H62 K2 N24 O44 S2 U -","- C200 H248 K8 N96 O176 S8 U4 -","4","1","","Thuéry, Pierre","Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril","Crystal Growth & Design","2011","11","12","5702","","10.1021/cg201253z","","","0.71073","MoKα","","0.0503","0.0417","","","0.1069","0.1101","","","","","","0.999","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501428","12.0327","0.0018","16.188","0.002","28.931","0.004","90","","90","","90","","5635.3","1.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 K2 N24 O29 -","- C42 H40 K2 N24 O27 -","- C168 H160 K8 N96 O108 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0647","0.0525","","","0.1375","0.1458","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501469","8.5295","0.0006","10.4269","0.0007","29.0633","0.0019","90","","90","","90","","2584.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Zhang, Ye; Kuang, Yi; Gao, Yuan; Xu, Bing","Versatile small-molecule motifs for self-assembly in water and the formation of biofunctional supramolecular hydrogels.","Langmuir : the ACS journal of surfaces and colloids","2011","27","2","529","537","10.1021/la1020324","","","0.71073","MoKα","","0.0449","0.0354","","","0.0798","0.0835","","","","","","1.025","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501473","10.9918","0.0008","13.0925","0.0009","20.357","0.0013","90","","90","","90","","2929.6","0.3","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 F N6 O9 P -","- C24 H34 F N6 O9 P -","- C96 H136 F4 N24 O36 P4 -","4","1","","Chang, Wonsuk; Bao, Donghui; Chun, Byoung-Kwon; Naduthambi, Devan; Nagarathnam, Dhanapalan; Rachakonda, Suguna; Reddy, P. Ganapati; Ross, Bruce S.; Zhang, Hai-Ren; Bansal, Shalini; Espiritu, Christine L.; Keilman, Meg; Lam, Angela M.; Niu, Congrong; Steuer, Holly Micolochick; Furman, Phillip A.; Otto, Michael J.; Sofia, Michael J.","Discovery of PSI-353661, a Novel Purine Nucleotide Prodrug for the Treatment of HCV Infection","ACS Medicinal Chemistry Letters","2011","2","2","130","","10.1021/ml100209f","","","0.71073","MoKα","","0.0259","0.0244","","","0.0657","0.0669","","","","","","1.059","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501486","10.0245","0.0004","10.8912","0.0004","20.7145","0.0008","90","","90","","90","","2261.58","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Zn2IDSbipy","","","- C18 H15 N3 O8 Zn2 -","- C18 H15 N3 O8 Zn2 -","- C72 H60 N12 O32 Zn8 -","4","1","","Gould, Jamie A.; Bacsa, John; Park, Hyunsoo; Claridge, John B.; Fogg, Andrew M.; Ramanathan, Vaidhyanathan; Warren, John E.; Rosseinsky, Matthew J.","Nanoporous Amino Acid Derived Material Formed via In-Situ Dimerization of Aspartic Acid","Crystal Growth & Design","2010","10","7","2977","","10.1021/cg100011a","","","0.671","synchrotron","","0.1164","0.1079","","","0.2707","0.2832","","","","","","1.087","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501614","5.3353","0.0004","8.7009","0.0006","19.947","0.0017","90","","90","","90","","925.98","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C36 H48 N8 O8 -","4","1","","Li, Xinfa; Liu, Tianfu; Hu, Bing; Li, Guoliang; Zhang, Hui; Cao, Rong","Homochiral Supramolecular Compounds Constructed from Amino Acid Derivatives: Syntheses, Structures, Chiroptical, and Photoluminescence Properties","Crystal Growth & Design","2010","10","7","3051","","10.1021/cg100163g","","","0.71073","MoKα","","0.0388","0.036","","","0.0794","0.0812","","","","","","1.005","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501615","5.3333","0.0005","8.6902","0.0007","19.9335","0.0017","90","","90","","90","","923.87","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N2 O2 -","- C9 H12 N2 O2 -","- C36 H48 N8 O8 -","4","1","","Li, Xinfa; Liu, Tianfu; Hu, Bing; Li, Guoliang; Zhang, Hui; Cao, Rong","Homochiral Supramolecular Compounds Constructed from Amino Acid Derivatives: Syntheses, Structures, Chiroptical, and Photoluminescence Properties","Crystal Growth & Design","2010","10","7","3051","","10.1021/cg100163g","","","0.71073","MoKα","","0.0664","0.043","","","0.0906","0.1032","","","","","","1.017","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501661","11.6601","0.0012","16.6455","0.0017","27.267","0.003","90","","90","","90","","5292.2","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 N2 O5 -","- C27 H34 N2 O5 -","- C216 H272 N16 O40 -","8","2","","Balamurugan, D.; Ramkumar, V.; Muraleedharan, K. M.","trans-β2,3-Amino Acid-Based Supramolecular Synthons for Probing the Interrelationships between Structure, Torsion-Directed Assembly, and Isomorphism","Crystal Growth & Design","2010","10","6","2460","","10.1021/cg100208m","","","0.71073","MoKα","","0.0699","0.0534","","","0.1315","0.1523","","","","","","1.097","","","","has coordinates","179547","2020-10-21","18:00:00",""
"4501664","10.1648","0.0005","13.7155","0.0009","18.8022","0.0012","90","","90","","90","","2621.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 N2 O6 -","- C27 H34 N2 O6 -","- C108 H136 N8 O24 -","4","1","","Balamurugan, D.; Ramkumar, V.; Muraleedharan, K. M.","trans-β2,3-Amino Acid-Based Supramolecular Synthons for Probing the Interrelationships between Structure, Torsion-Directed Assembly, and Isomorphism","Crystal Growth & Design","2010","10","6","2460","","10.1021/cg100208m","","","0.71073","MoKα","","0.117","0.0454","","","0.0738","0.0877","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501665","9.1712","0.0004","12.8168","0.0006","17.5657","0.0008","90","","90","","90","","2064.77","0.16","168","2","168","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N4 O3 -","- C22 H24 N4 O3 -","- C88 H96 N16 O12 -","4","1","","Balamurugan, D.; Ramkumar, V.; Muraleedharan, K. M.","trans-β2,3-Amino Acid-Based Supramolecular Synthons for Probing the Interrelationships between Structure, Torsion-Directed Assembly, and Isomorphism","Crystal Growth & Design","2010","10","6","2460","","10.1021/cg100208m","","","0.71073","MoKα","","0.0636","0.0425","","","0.089","0.0983","","","","","","1.007","","","","has coordinates,has disorder","179547","2020-10-21","18:00:00",""
"4501666","9.2363","0.0005","12.18","0.0011","17.9414","0.0016","90","","90","","90","","2018.4","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N4 O3 -","- C21 H22 N4 O3 -","- C84 H88 N16 O12 -","4","1","","Balamurugan, D.; Ramkumar, V.; Muraleedharan, K. M.","trans-β2,3-Amino Acid-Based Supramolecular Synthons for Probing the Interrelationships between Structure, Torsion-Directed Assembly, and Isomorphism","Crystal Growth & Design","2010","10","6","2460","","10.1021/cg100208m","","","0.71073","MoKα","","0.0785","0.0484","","","0.1227","0.1523","","","","","","0.892","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501759","7.1599","0.0009","39.159","0.005","9.7127","0.0012","90","","90","","90","","2723.2","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl Co N6 O11 Zn -","- C24 H15 Cl Co N6 O11 Zn -","- C96 H60 Cl4 Co4 N24 O44 Zn4 -","4","1","","Su, Zhi; Fan, Jian; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Ligand-Directed and pH-Controlled Assembly of Chiral 3d−3d Heterometallic Metal−Organic Frameworks","Crystal Growth & Design","2010","10","8","3515","","10.1021/cg100418a","","","0.71073","MoKα","","0.0978","0.063","","","0.139","0.1558","","","","","","0.964","","","","has coordinates","179548","2020-10-21","18:00:00",""
"4501792","5.408","0.002","8.04","0.003","28.37","0.012","90","","90","","90","","1233.5","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C48 H52 N4 O32 -","4","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","0.71073","MoKα","","0.0786","0.0668","","","0.1349","0.1399","","","","","","1.137","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501797","9.5079","0.0003","9.692","0.0003","26.9227","0.0008","90","","90","","90","","2480.94","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 N2 O8 -","- C24 H36 N2 O8 -","- C96 H144 N8 O32 -","4","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","1.54178","CuKα","","0.0381","0.0335","","","0.0815","0.0842","","","","","","1.034","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501805","6.434","0.003","12.378","0.005","23.51","0.009","90","","90","","90","","1872.3","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O8 -","- C22 H19 N O8 -","- C88 H76 N4 O32 -","4","1","","Kavuru, Padmini; Aboarayes, Dalia; Arora, Kapildev K.; Clarke, Heather D.; Kennedy, Alyssa; Marshall, Lissette; Ong, Tien Teng; Perman, Jason; Pujari, Twarita; Wojtas, Łukasz; Zaworotko, Michael J.","Hierarchy of Supramolecular Synthons: Persistent Hydrogen Bonds Between Carboxylates and Weakly Acidic Hydroxyl Moieties in Cocrystals of Zwitterions","Crystal Growth & Design","2010","10","8","3568","3584","10.1021/cg100484a","","","0.71073","MoKα","","0.0584","0.0452","","","0.0973","0.103","","","","","","1.063","","","","has coordinates","211085","2020-10-21","18:00:00",""
"4501895","10.4451","0.0006","12.4548","0.001","28.6487","0.0017","90","","90","","90","","3727","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 Cd N4 O7 -","- C38 H40 Cd N4 O7 -","- C152 H160 Cd4 N16 O28 -","4","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Yang, Xiao-Gang; Zhou, Li-Ming; Du, Miao; Liu, Chun-Sen","Regulation and Properties of Diversiform Cd(II) Supramolecular Complexes with a Bulky Naphthalene-Based Dicarboxyl Tecton and DifferentN-Donor Co-Ligands","Crystal Growth & Design","2010","10","11","4773","","10.1021/cg100645p","","","0.71073","MoKα","","0.1015","0.0708","","","0.1739","0.1834","","","","","","0.965","","","","has coordinates","179549","2020-10-21","18:00:00",""
"4501932","8.6429","0.0006","8.8848","0.0006","15.4504","0.001","90","","90","","90","","1186.44","0.14","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H N10 O Zn -","- C5 H N10 O Zn -","- C20 H4 N40 O4 Zn4 -","4","1","","Hu, Tuoping; Bi, Wenhua; Hu, Xiaoqin; Zhao, Xiaoliang; Sun, Daofeng","Construction of Metal−Organic Frameworks with Novel {Zn8O13} SBU or Chiral Channels throughin SituLigand Reaction","Crystal Growth & Design","2010","10","8","3324","","10.1021/cg100725j","","","0.71073","MoKα","","0.0457","0.0389","","","0.1274","0.1385","","","","","","1.207","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4501933","16.224","0.003","16.644","0.003","18.176","0.004","90","","90","","90","","4908.1","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H26 Cd4 N8 O17 -","- C44 H26 Cd4 N8 O17 -","- C176 H104 Cd16 N32 O68 -","4","1","","Wang, Wenyue; Niu, Xiling; Gao, Yongchao; Zhu, Yanyan; Li, Gang; Lu, Huijie; Tang, Mingsheng","One Chiral and Two Achiral 3-D Coordination Polymers Constructed by 2-Phenyl Imidazole Dicarboxylate","Crystal Growth & Design","2010","10","9","4050","","10.1021/cg100736x","","","0.71073","MoKα","","0.0255","0.0236","","","0.0547","0.0554","","","","","","1.06","","","","has coordinates","179550","2020-10-21","18:00:00",""
"4502060","5.39362","0.00016","8.17308","0.00025","28.3888","0.0009","90","","90","","90","","1251.45","0.07","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1:1 Co-crystal of LAA + NA","1:1 Co-crystal of L-ascorbic acid and Nicotinic acid","","- C12 H13 N O8 -","- C12 H13 N O8 -","- C48 H52 N4 O32 -","4","1","","Lapidus, Saul H.; Stephens, Peter W.; Arora, Kapildev K.; Shattock, Tanise R.; Zaworotko, Michael J.","A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques","Crystal Growth & Design","2010","10","10","4630","","10.1021/cg1009237","powder diffraction","","0.698914","synchrotron","","","","","","","","","","2.38","","","","","","","has coordinates","179551","2020-10-21","18:00:00",""
"4502114","6.8977","0.0012","13.917","0.003","18.161","0.003","90","","90","","90","","1743.4","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 Ag N4 O5 P -","- C13 H24 Ag N4 O5 P -","- C52 H96 Ag4 N16 O20 P4 -","4","1","","Lis, Agnieszka; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Smoleński, Piotr; Pombeiro, Armando J. L.","Design of Silver(I)−PTA Coordination Polymers through Controlled N,P-Coordination of 1,3,5-Triaza-7-phosphaadamantane (PTA) with Arylcarboxylates","Crystal Growth & Design","2010","10","12","5244","","10.1021/cg101058x","","","0.71069","MoKα","","0.0706","0.0425","","","0.0865","0.1228","","","","","","1.054","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502116","5.983","0.002","7.781","0.003","12.932","0.005","90","","90","","90","","602","0.4","173","2","173","2","","","101.3","","","","","3","P 21 21 21","P 2ac 2ab","19","3,4-dicyano-1,2,5-telluradiazole","3,4-dicyano-1,2,5-telluradiazole","","- C4 N4 Te -","- C4 N4 Te -","- C16 N16 Te4 -","4","1","","Cozzolino, Anthony F.; Yang, Qin; Vargas-Baca, Ignacio","Engineering Second-Order Nonlinear Optical Activity by Means of a Noncentrosymmetric Distortion of the [Te−N]2Supramolecular Synthon","Crystal Growth & Design","2010","10","11","4959","","10.1021/cg101060s","","x-ray","0.71073","MoKα","","0.0696","0.0451","","","0.0835","0.0909","","","","","","0.987","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502138","9.1793","0.0003","11.524","0.0003","15.7571","0.0004","90","","90","","90","","1666.82","0.08","213.1","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 B N2 O -","- C19 H25 B N2 O -","- C76 H100 B4 N8 O4 -","4","1","","Hisaki, Ichiro; Shizuki, Norie; Sasaki, Toshiyuki; Ito, Yuka; Tohnai, Norimitsu; Miyata, Mikiji","Handedness Determination of 21Helical Motifs and Hierarchical Analysis of Crystal Structures Based on the Motifs: The Case of Cinchona Alkaloid Derivatives","Crystal Growth & Design","2010","10","12","5262","","10.1021/cg101111f","","","1.54187","CuKα","","","0.0485","","","","0.1138","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502159","7.07587","0.00016","9.2294","0.0002","27.7299","0.0007","90","","90","","90","","1810.93","0.07","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TNT : phenanthrene","2,4,6-trinitrotoluene : phenanthrene","","- C21 H15 N3 O6 -","- C21 H15 N3 O6 -","- C84 H60 N12 O24 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.1001","0.0876","","","0.2273","0.2412","","","","","","1.096","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502160","7.19649","0.00017","7.98291","0.00018","36.206","0.003","90","","90","","90","","2080","0.19","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","TNT : perylene","2,4,6-trinitrotoluene : perylene","","- C27 H17 N3 O6 -","- C27 H17 N3 O6 -","- C108 H68 N12 O24 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.1782","0.0832","","","0.1612","0.2416","","","","","","1.103","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502163","7.4869","0.0004","9.1121","0.0004","26.5398","0.0019","90","","90","","90","","1810.58","0.18","95","2","95","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TNT : phenothiazine","2,4,6-trinitrotoluene : phenothiazine","","- C19 H14 N4 O6 S -","- C19 H14 N4 O6 S -","- C76 H56 N16 O24 S4 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystal Engineering of a Prototype Energetic Material: Supramolecular Chemistry of 2,4,6-Trinitrotoluene","Crystal Growth & Design","2010","10","12","5341","","10.1021/cg101300n","","","1.54187","CuKα","","0.1761","0.0894","","","0.188","0.2484","","","","","","1.223","","","","has coordinates","179552","2020-10-21","18:00:00",""
"4502190","13.681","0.003","14.016","0.003","23.383","0.005","90","","90","","90","","4483.8","1.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Ag5 Cu I7 N6 -","- C30 H24 Ag5 Cu I7 N6 -","- C120 H96 Ag20 Cu4 I28 N24 -","4","1","","Li, Hao-Hong; Chen, Zhi-Rong; Sun, Ling-Guo; Lian, Zhao-Xun; Chen, Xiao-Bo; Li, Jun-Bo; Li, Jun-Qian","Two Iodoargentate Hybrid Coordination Polymers Induced by Transition-Metal Complexes: Structures and Properties","Crystal Growth & Design","2010","10","3","1068","","10.1021/cg900476m","","","0.71073","MoKα","","0.188","0.0412","","","0.0848","0.1718","","","","","","0.719","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4502270","7.7359","0.0009","10.1884","0.0012","12.5697","0.0015","90","","90","","90","","990.7","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- B6 Na3 O13 V -","- B6 Na3 O13 V -","- B24 Na12 O52 V4 -","4","1","","Fan, Xiaoyun; Pan, Shilie; Hou, Xueling; Tian, Xuelin; Han, Jian; Haag, Jacob; Poeppelmeier, Kenneth R.","Growth and Properties of Single Crystals of Noncentrosymmetric Na3VO2B6O11","Crystal Growth & Design","2010","10","1","252","","10.1021/cg900877h","","","0.71073","MoKα","","0.0274","0.0252","","","0.0673","0.0693","","","","","","1.075","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4502369","7.0474","0.0003","7.8332","0.0003","19.2197","0.0007","90","","90","","90","","1061","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","‘Zinc-Borate’","","","- C3 H12 B4 N2 O8 Zn -","- C3 H12 B4 N2 O8 Zn -","- C12 H48 B16 N8 O32 Zn4 -","4","1","","Paul, Avijit Kumar; Sachidananda, K.; Natarajan, Srinivasan","[B4O9H2] Cyclic Borate Units as the Building Unit in a Family of Zinc Borate Structures","Crystal Growth & Design","2010","10","1","456","","10.1021/cg901054h","","","0.71073","MoKα","","0.04","0.0369","","","0.097","0.0987","","","","","","1.047","","","","has coordinates","179554","2020-10-21","18:00:00",""
"4502389","7.633","0.003","11.733","0.005","21.156","0.009","90","","90","","90","","1894.7","1.4","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","(R)-1-(p-iodophenyl)ethylammonium_(Rp)-O-ethyl(p-chlorophenyl)phosphonothioate","","","- C16 H20 Cl I N O2 P S -","- C16 H20 Cl I N O2 P S -","- C64 H80 Cl4 I4 N4 O8 P4 S4 -","4","1","","Kobayashi, Yuka; Maeda, Jin; Ando, Tetsuo; Saigo, Kazuhiko","Halogen-Bonding Interaction Stabilizing Cluster-type Diastereomeric Salt Crystals","Crystal Growth & Design","2010","10","2","685","","10.1021/cg9010967","","","0.7107","MoKα","","0.0301","0.0296","","","0.0756","0.0762","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502453","8.6115","0.0001","11.6104","0.0001","14.7472","0.0001","90","","90","","90","","1474.47","0.02","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-o-vanillylidene-L-histidine; 3-methoxysalicylidene-L-histidine; N-(2-oxy-3-methoxy-benzylidene)-L-histidine","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","1","","Drašković, Bojana M.; Bogdanović, Goran A.; Neelakantan, M. A.; Chamayou, Anne-Christine; Thalamuthu, S.; Avadhut, Yamini S.; Schmedt auf der Günne, Jörn; Banerjee, Sharmila; Janiak, Christoph","N-o-Vanillylidene-l-histidine: Experimental Charge Density Analysis of a Double Zwitterionic Amino Acid Schiff-Base Compound","Crystal Growth & Design","2010","10","4","1665","","10.1021/cg901239v","","","0.71073","MoKα","","0.0116","","","","","0.0126","","","","","","0.602","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502454","8.6155","0.0003","11.6223","0.0004","14.8504","0.0006","90","","90","","90","","1487","0.09","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-o-vanillylidene-L-histidine; 3-methoxysalicylidene-L-histidine; N-(2-oxy-3-methoxy-benzylidene)-L-histidine","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","1","","Drašković, Bojana M.; Bogdanović, Goran A.; Neelakantan, M. A.; Chamayou, Anne-Christine; Thalamuthu, S.; Avadhut, Yamini S.; Schmedt auf der Günne, Jörn; Banerjee, Sharmila; Janiak, Christoph","N-o-Vanillylidene-l-histidine: Experimental Charge Density Analysis of a Double Zwitterionic Amino Acid Schiff-Base Compound","Crystal Growth & Design","2010","10","4","1665","","10.1021/cg901239v","","","0.71073","MoKα","","0.0494","0.0406","","","0.1066","0.1137","","","","","","1.039","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502457","14.0133","0.0003","15.6692","0.0003","30.9146","0.0006","90","","90","","90","","6788.1","0.2","223.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","spironolactone saccharin 1/3 hydrate","7a-Acetylthio-3-oxo-17a-pregn-4-ene-21,17- carbolactone","","- C24 H32.67 O4.33 S -","- C24 H32 O4.33333 S -","- C288 H384 O52 S12 -","12","3","","Takata, Noriyuki; Takano, Ryusuke; Uekusa, Hidehiro; Hayashi, Yoshiki; Terada, Katsuhide","A Spironolactone−Saccharin 1:1 Cocrystal Hemihydrate","Crystal Growth & Design","2010","10","5","2116","","10.1021/cg901242q","","","1.54187","CuKα","","","0.0736","","","","0.1712","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502464","5.4533","0.0003","17.5926","0.001","20.542","0.0013","90","","90","","90","","1970.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 O6 Zn -","- C22 H18 N2 O6 Zn -","- C88 H72 N8 O24 Zn4 -","4","1","","Liu, Li; Huang, Shu-Ping; Yang, Guo-Dong; Zhang, Hao; Wang, Xiao-Li; Fu, Zhi-Yong; Dai, Jing-Cao","Zn[Htma][ddm]: An Interesting Three-Dimensional Chiral Nonlinear Optical-Active Zinc-Trimesate Framework†","Crystal Growth & Design","2010","10","2","930","","10.1021/cg901259e","","","0.71073","MoKα","","0.0456","0.0376","","","0.0857","0.0911","","","","","","1.073","","","","has coordinates","179555","2020-10-21","18:00:00",""
"4502500","11.884","0.002","15.928","0.003","29.774","0.005","90","","90","","90","","5635.9","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H58 K2 N22 O24 -","- C46 H54 K2 N22 O24 -","- C184 H216 K8 N88 O96 -","4","1","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.0773","0.056","","","0.1348","0.1475","","","","","","1.052","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502502","11.8668","0.0009","15.804","0.0011","30.323","0.002","90","","90","","90","","5686.9","0.7","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H62 Br2 K2 N20 O24 -","- C42 H54 Br2 K2 N20 O24 -","- C168 H216 Br8 K8 N80 O96 -","4","1","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.0696","0.0514","","","0.1316","0.1445","","","","","","1.024","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502505","11.85","0.002","29.48","0.006","16.069","0.003","90","","90","","90","","5613.5","1.8","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H58 K2 N22 O26 -","- C42 H50 K2 N22 O26 -","- C168 H200 K8 N88 O104 -","4","1","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.078","0.0594","","","0.1359","0.1456","","","","","","0.987","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502506","11.9647","0.0015","15.107","0.0018","26.637","0.003","90","","90","","90","","4814.7","1","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 I2 K2 N20 O19 -","- C30 H30 I2 K2 N20 O19 -","- C120 H120 I8 K8 N80 O76 -","4","1","","Feng, Xing; Du, Hao; Chen, Kai; Xiao, Xin; Luo, Shi-Xia; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Zhang, Xiao-Yi; Wei, Gang","Design and Synthesis of Self-assembly Supramolecular Entities Based on Noncovalent Interaction of Cucurbit[5]uril, Metal Ions, and Hydroxybenzene or Its Derivatives","Crystal Growth & Design","2010","10","7","2901","","10.1021/cg901309b","","","0.71073","MoKα","","0.0634","0.0444","","","0.1154","0.1272","","","","","","1.022","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502541","3.7606","0.0001","15.2613","0.0003","22.7185","0.0004","90","","90","","90","","1303.85","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13.5 N2 O6.75 -","- C13 H13.5 N2 O6.75 -","- C52 H54 N8 O27 -","4","1","","Clarke, Heather D.; Arora, Kapildev K.; Bass, Heather; Kavuru, Padmini; Ong, Tien Teng; Pujari, Twarita; Wojtas, Lukasz; Zaworotko, Michael J.","Structure−Stability Relationships in Cocrystal Hydrates: Does the Promiscuity of Water Make Crystalline Hydrates the Nemesis of Crystal Engineering?","Crystal Growth & Design","2010","10","5","2152","","10.1021/cg901345u","","","1.54178","CuKα","","0.036","0.0323","","","0.0815","0.0834","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4502559","6.0493","0.0009","14.41","0.002","22.861","0.003","90","","90","","90","","1992.8","0.5","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","1","","Shiota, Naoki; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Preparation of Supramolecular Thiophene Host System Showing Solid-State Fluorescence by Using Chiral (1R,2S)-2-Amino-1,2-diphenylethanol","Crystal Growth & Design","2010","10","3","1341","","10.1021/cg901364a","","","0.71073","MoKα","","0.0972","0.0792","","","0.1679","0.1772","","","","","","1.097","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502560","5.6782","0.0005","14.9054","0.0012","24.921","0.002","90","","90","","90","","2109.2","0.3","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O4 S -","- C22 H27 N O4 S -","- C88 H108 N4 O16 S4 -","4","1","","Shiota, Naoki; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Preparation of Supramolecular Thiophene Host System Showing Solid-State Fluorescence by Using Chiral (1R,2S)-2-Amino-1,2-diphenylethanol","Crystal Growth & Design","2010","10","3","1341","","10.1021/cg901364a","","","0.71073","MoKα","","0.0845","0.0708","","","0.1457","0.153","","","","","","1.08","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502561","6.0282","0.0008","14.258","0.0018","22.795","0.003","90","","90","","90","","1959.2","0.4","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","1","","Shiota, Naoki; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Preparation of Supramolecular Thiophene Host System Showing Solid-State Fluorescence by Using Chiral (1R,2S)-2-Amino-1,2-diphenylethanol","Crystal Growth & Design","2010","10","3","1341","","10.1021/cg901364a","","","0.71073","MoKα","","0.0971","0.0755","","","0.1529","0.1629","","","","","","1.095","","","","has coordinates","179556","2020-10-21","18:00:00",""
"4502562","5.5163","0.0004","15.0785","0.0012","25.018","0.002","90","","90","","90","","2080.9","0.3","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O4 S -","- C22 H27 N O4 S -","- C88 H108 N4 O16 S4 -","4","1","","Shiota, Naoki; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Preparation of Supramolecular Thiophene Host System Showing Solid-State Fluorescence by Using Chiral (1R,2S)-2-Amino-1,2-diphenylethanol","Crystal Growth & Design","2010","10","3","1341","","10.1021/cg901364a","","","0.71073","MoKα","","0.0669","0.0563","","","0.1153","0.1204","","","","","","1.045","","","","has coordinates,has disorder","179556","2020-10-21","18:00:00",""
"4502615","9.4627","0.0019","10.885","0.002","30.098","0.006","90","","90","","90","","3100.1","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H43 N O5 -","- C38 H43 N O5 -","- C152 H172 N4 O20 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0544","0.0359","","","0.0713","0.079","","","","","","1.052","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502616","9.4873","0.0007","10.8215","0.0008","30.028","0.002","90","","90","","90","","3082.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38.27 H41.93 N O4.73 -","- C38.268 H41.928 N O4.732 -","- C153.072 H167.712 N4 O18.928 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0514","0.0395","","","0.0813","0.0866","","","","","","1.024","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502617","9.5206","0.0019","10.814","0.002","30.045","0.006","90","","90","","90","","3093.3","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38.41 H41.38 N O4.59 -","- C38.405 H41.38 N O4.595 -","- C153.62 H165.52 N4 O18.38 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0929","0.0754","","","0.1944","0.2079","","","","","","1.087","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502618","9.5238","0.0019","10.796","0.002","30.015","0.006","90","","90","","90","","3086.1","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38.43 H41.27 N O4.57 -","- C38.432 H41.272 N O4.568 -","- C153.728 H165.088 N4 O18.272 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.135","0.0596","","","0.111","0.1382","","","","","","1.053","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502619","9.5454","0.0019","10.768","0.002","29.994","0.006","90","","90","","90","","3082.9","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38.35 H40.6 N O4.45 -","- C38.35 H40.6 N O4.45 -","- C153.4 H162.4 N4 O17.8 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.052","0.0396","","","0.0867","0.0923","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4502620","9.5522","0.0019","10.754","0.002","29.983","0.006","90","","90","","90","","3080","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38.61 H40.56 N O4.39 -","- C38.609 H40.564 N O4.391 -","- C154.436 H162.256 N4 O17.564 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0622","0.0423","","","0.0919","0.1003","","","","","","1.04","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502621","9.565","0.0019","10.719","0.002","30.019","0.006","90","","90","","90","","3077.8","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38.72 H40.14 N O4.29 -","- C38.715 H40.14 N O4.285 -","- C154.86 H160.56 N4 O17.14 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0707","0.0456","","","0.0948","0.106","","","","","","1.068","","","","has coordinates,has disorder","179557","2020-10-21","18:00:00",""
"4502622","9.6131","0.0019","10.693","0.002","29.899","0.006","90","","90","","90","","3073.4","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H39 N O4 -","- C39 H39 N O4 -","- C156 H156 N4 O16 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.0673","0.0391","","","0.0729","0.0816","","","","","","0.99","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502633","9.1155","0.0018","15.942","0.003","21.279","0.004","90","","90","","90","","3092.2","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 N O4 -","- C35 H41 N O4 -","- C140 H164 N4 O16 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity and Enantiomeric Resolution in Inclusion Chemistry: A Systematic Study of Chiral Discrimination through Crystallization","Crystal Growth & Design","2010","10","4","1782","","10.1021/cg901461k","","","0.71073","MoKα","","0.057","0.0397","","","0.0812","0.0891","","","","","","1.122","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502686","8.4584","0.0004","11.7116","0.0005","22.0485","0.0014","90","","90","","90","","2184.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[bnlH]2[Cu(II)(mal)2(H2O)2]","[bnlH]2[Cu(II)(mal)2(H2O)2]","","- C20 H28 Cu N2 O10 -","- C20 H28 Cu N2 O10 -","- C80 H112 Cu4 N8 O40 -","4","1","","Keene, Tony D.; Zimmermann, Iwan; Neels, Antonia; Sereda, Olha; Hauser, Jürg; Liu, Shi-Xia; Decurtins, Silvio","Crystal Engineering of a Series of Arylammonium Copper(II) Malonates","Crystal Growth & Design","2010","10","4","1854","","10.1021/cg9015349","","","0.71073","MoKα","","0.0289","0.0275","","","0.0707","0.0713","","","","","","1.035","","","","has coordinates","179557","2020-10-21","18:00:00",""
"4502716","11.7909","0.001","16.07","0.0014","22.9043","0.0019","90","","90","","90","","4339.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H26 Cl6 N12 -","- C44 H26 Cl6 N12 -","- C176 H104 Cl24 N48 -","4","1","","Xiao, Ze-Yun; Zhao, Xin; Jiang, Xi-Kui; Li, Zhan-Ting","Construction of microbelts through the coassembly of a disclike molecule and primary alkyl ammoniums: a noncovalent strategy to mimic covalently bonded pi-core alkyl chain structure.","Langmuir : the ACS journal of surfaces and colloids","2010","26","16","13048","13051","10.1021/la1022104","","","0.71073","MoKα","","0.0989","0.0723","","","0.1664","0.1797","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4502831","10.302","0.002","11.876","0.002","32.266","0.007","90","","90","","90","","3947.6","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 N6 O10 Zn2 -","- C42 H36 N6 O10 Zn2 -","- C168 H144 N24 O40 Zn8 -","4","1","","Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He","Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions","Crystal Growth & Design","2012","12","1","189","","10.1021/cg200926z","","","0.71073","MoKα","","0.0312","0.0292","","","0.0668","0.068","","","","","","1.031","","","","has coordinates","179559","2020-10-21","18:00:00",""
"4502931","6.4342","0.0002","7.9231","0.0003","21.6589","0.0008","90","","90","","90","","1104.14","0.07","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Ag N5 O3 S -","- C8 H6 Ag N5 O3 S -","- C32 H24 Ag4 N20 O12 S4 -","4","1","","Wan, Chong-Qing; Wang, Zi-Jia; Wang, Guo; Liu, Hao; Deng, Yu-Heng; Jin, Qiong-Hua","Conformation Restriction of Nonplanar Di-2-pyrimidyl Sulfide with Intramolecular N···C Interaction and Its Supramolecular Silver(I) Complexes","Crystal Growth & Design","2012","12","1","376","","10.1021/cg201184x","","","0.71073","MoKα","","0.0236","0.0217","","","0.0512","0.0521","","","","","","1.053","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502955","5.5072","0.0004","17.1769","0.0012","21.103","0.0016","90","","90","","90","","1996.3","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Kumar, Pankaj; Haldar, Debasish","Conformational Heterogeneity, Self-Assembly, and Gas Adsorption Studies of Isomeric Hybrid Peptides","Crystal Growth & Design","2012","12","1","422","","10.1021/cg201268x","","","0.71073","MoKα","","0.0732","0.0438","","","0.078","0.0874","","","","","","1.06","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502986","6.6134","0.0003","13.1291","0.0007","18.8114","0.0013","90","","90","","90","","1633.36","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","Springuel, Géraldine; Norberg, Bernadette; Robeyns, Koen; Wouters, Johan; Leyssens, Tom","Advances in Pharmaceutical Co-crystal Screening: Effective Co-crystal Screening through Structural Resemblance","Crystal Growth & Design","2012","12","1","475","","10.1021/cg201291k","","","0.71073","MoKα","","0.0368","0.033","","","0.0827","0.0864","","","","","","1.044","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502987","5.9162","0.0002","12.97","0.0006","20.0643","0.0009","90","","90","","90","","1539.6","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N2 O8 -","- C12 H20 N2 O8 -","- C48 H80 N8 O32 -","4","1","","Springuel, Géraldine; Norberg, Bernadette; Robeyns, Koen; Wouters, Johan; Leyssens, Tom","Advances in Pharmaceutical Co-crystal Screening: Effective Co-crystal Screening through Structural Resemblance","Crystal Growth & Design","2012","12","1","475","","10.1021/cg201291k","","","0.71073","MoKα","","0.0387","0.0364","","","0.0956","0.0973","","","","","","1.042","","","","has coordinates","179560","2020-10-21","18:00:00",""
"4502995","7.6425","0.0009","12.5079","0.0011","13.9147","0.0012","90","","90","","90","","1330.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-cyanophenyl)-2-hydroxy-1-naphthaldimine","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","1","","Cinčić, Dominik; Brekalo, Ivana; Kaitner, Branko","Solvent-Free Polymorphism Control in a Covalent Mechanochemical Reaction","Crystal Growth & Design","2012","12","1","44","","10.1021/cg2013705","","","0.71073","MoKα","","0.0343","0.0335","","","0.0866","0.0874","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503062","5.5245","0.0011","11.778","0.002","11.939","0.002","90","","90","","90","","776.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Chloro-3,4-dinitrobenzene gamma polymorph","","- C6 H3 Cl N2 O4 -","- C6 H3 Cl N2 O4 -","- C24 H12 Cl4 N8 O16 -","4","1","","Barnett, Sarah A.; Johnston, Andrea; Florence, Alastair J.; Price, Sarah L.; Tocher, Derek A.","A Systematic Experimental and Theoretical Study of the Crystalline State of Six Chloronitrobenzenes","Crystal Growth & Design","2008","8","1","24","","10.1021/cg070131c","","","0.71073","MoKα","","0.0243","0.0236","","","0.062","0.0625","","","","","","1.088","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4503066","4.6469","0.0009","4.9285","0.001","9.0403","0.0018","90","","90","","90","","207.04","0.07","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methanol","Methanol","","- C H4 O -","- C H4 O -","- C4 H16 O4 -","4","1","","Kirchner, Michael T.; Das, Dinabandhu; Boese, Roland","Cocrystallization with Acetylene: Molecular Complex with Methanol","Crystal Growth & Design","2008","8","3","763","","10.1021/cg0701877","","","0.71073","MoKα","","0.0393","0.0338","","","0.0915","0.0959","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503068","4.565","0.003","7.314","0.005","13.165","0.008","90","","90","","90","","439.6","0.5","155","2","155","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ethine methanol cocrystal","ethine methanol cocrystal","","- C3 H6 O -","- C3 H6 O -","- C12 H24 O4 -","4","1","","Kirchner, Michael T.; Das, Dinabandhu; Boese, Roland","Cocrystallization with Acetylene: Molecular Complex with Methanol","Crystal Growth & Design","2008","8","3","763","","10.1021/cg0701877","","","0.71073","MoKα","","0.1974","0.0543","","","0.1151","0.1427","","","","","","0.722","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503069","7.2604","0.0005","20.4231","0.0017","23.6356","0.0016","90","","90","","90","","3504.7","0.4","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ethinyl estradiol acetonitrile","","","- C21 H25.5 N0.5 O2 -","- C21 H25.5 N0.5 O2 -","- C168 H204 N4 O16 -","8","2","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.0837","0.0514","","0.1015","0.0919","0.1015","","","1.088","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503070","6.7531","0.0009","12.23","0.0014","50.824","0.007","90","","90","","90","","4197.6","0.9","208","2","208","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ethinyl estradiol dioxane","","","- C24 H32 O4 -","- C24 H32 O4 -","- C192 H256 O32 -","8","2","","Guguta, C.; Eeuwijk, I.; Smits, J. M. M.; de Gelder, R.","Structural Diversity of Ethinyl Estradiol Solvates","Crystal Growth & Design","2008","8","3","823","","10.1021/cg0702277","","","0.71073","MoKα","","0.0839","0.0565","","0.1279","0.1178","0.1279","","","1.024","","","1.024","","","","has coordinates","179561","2020-10-21","18:00:00",""
"4503108","7.7048","0.0015","14.356","0.003","18.4","0.004","90","","90","","90","","2035.2","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 O6 -","- C22 H34 O6 -","- C88 H136 O24 -","4","1","","Chen, Jianxin; Wang, Jingkang; Ulrich, Joachim; Yin, Qiuxiang; Xue, Lvzhong","Effect of Solvent on the Crystal Structure and Habit of Hydrocortisone","Crystal Growth & Design","2008","8","5","1490","","10.1021/cg0703947","","","0.71073","MoKα","","0.0365","0.0342","","","0.0996","0.1016","","","","","","1.174","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503117","9.64","0.001","13.982","0.002","15.601","0.002","90","","90","","90","","2102.8","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N,N,N',N',N'-hexamethyl-1,3-diaminoadamantane diiodide monohydrate","","- C16 H34 I2 N2 O -","- C16 H34 I2 N2 O -","- C64 H136 I8 N8 O4 -","4","1","","Ergaz, Itzhak; Toscano, Rubén Alfredo; Delgado, Guillermo; Steinberg, Avital; Glaser, Robert","The Effect of Environment on Molecular Structure: The Crystalline-State Stereochemistry ofN-Methylated Adamantane 1,3-Diammonium Salts","Crystal Growth & Design","2008","8","4","1399","","10.1021/cg0704908","","","0.71073","MoKα","","0.0494","0.0457","","","0.1077","0.1104","","","","","","1.072","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503191","7.1452","0.0008","10.1443","0.0011","20.695","0.002","90","","90","","90","","1500","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O5 Sr -","- C15 H13 N O5 Sr -","- C60 H52 N4 O20 Sr4 -","4","1","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0348","0.03","","","0.075","0.077","","","","","","1.069","","","","has coordinates","179562","2020-10-21","18:00:00",""
"4503192","7.5731","0.0012","10.5515","0.0016","25.875","0.004","90","","90","","90","","2067.6","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O5 Sr -","- C23 H23 N O5 Sr -","- C92 H92 N4 O20 Sr4 -","4","1","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0507","0.0356","","","0.0724","0.0938","","","","","","1.005","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503193","7.4222","0.0006","10.6097","0.0008","25.8161","0.0019","90","","90","","90","","2032.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O5 Sr -","- C23 H19 N O5 Sr -","- C92 H76 N4 O20 Sr4 -","4","1","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.04","0.0339","","","0.0763","0.0784","","","","","","1.019","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503195","8.0774","0.0015","10.446","0.002","21.327","0.004","90","","90","","90","","1799.5","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16.13 H15.63 Ba N1.38 O5.38 -","- C15 H13 Ba N O5 -","- C60 H52 Ba4 N4 O20 -","4","1","","Williams, Colleen A.; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Schröder, Martin","Novel Metal−Organic Frameworks Derived from Group II Metal Cations and Aryldicarboxylate Anionic Ligands","Crystal Growth & Design","2008","8","3","911","","10.1021/cg700731d","","","0.71073","MoKα","","0.0852","0.081","","","0.188","0.193","","","","","","1.13","","","","has coordinates,has disorder","179562","2020-10-21","18:00:00",""
"4503231","8.2239","0.0006","8.8594","0.0002","22.2723","0.0015","90","","90","","90","","1622.73","0.17","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","1","","van Eupen, J. Th. H.; Elffrink, W. W. J.; Keltjens, R.; Bennema, P.; de Gelder, R.; Smits, J. M. M.; van Eck, E. R. H.; Kentgens, A. P. M.; Deij, M. A.; Meekes, H.; Vlieg, E.","Polymorphism and Migratory Chiral Resolution of the Free Base of Venlafaxine. A Remarkable Topotactical Solid State Transition from a Racemate to a Racemic Conglomerate","Crystal Growth & Design","2008","8","1","71","","10.1021/cg700831z","","","0.71073","MoKα","","0.0725","0.0503","","0.1074","0.0987","0.1074","","","1.077","","","1.077","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503233","8.1461","0.001","8.803","0.0006","22.3022","0.0019","90","","90","","90","","1599.3","0.3","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","1","","van Eupen, J. Th. H.; Elffrink, W. W. J.; Keltjens, R.; Bennema, P.; de Gelder, R.; Smits, J. M. M.; van Eck, E. R. H.; Kentgens, A. P. M.; Deij, M. A.; Meekes, H.; Vlieg, E.","Polymorphism and Migratory Chiral Resolution of the Free Base of Venlafaxine. A Remarkable Topotactical Solid State Transition from a Racemate to a Racemic Conglomerate","Crystal Growth & Design","2008","8","1","71","","10.1021/cg700831z","","","0.71073","MoKα","","0.1255","0.0682","","0.1377","0.1196","0.1377","","","1.108","","","1.108","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503234","8.2305","0.0005","8.872","0.0005","22.329","0.003","90","","90","","90","","1630.5","0.3","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O2 -","- C17 H27 N O2 -","- C68 H108 N4 O8 -","4","1","","van Eupen, J. Th. H.; Elffrink, W. W. J.; Keltjens, R.; Bennema, P.; de Gelder, R.; Smits, J. M. M.; van Eck, E. R. H.; Kentgens, A. P. M.; Deij, M. A.; Meekes, H.; Vlieg, E.","Polymorphism and Migratory Chiral Resolution of the Free Base of Venlafaxine. A Remarkable Topotactical Solid State Transition from a Racemate to a Racemic Conglomerate","Crystal Growth & Design","2008","8","1","71","","10.1021/cg700831z","","","0.71073","MoKα","","0.0567","0.0452","","0.1052","0.0987","0.1052","","","1.081","","","1.081","","","","has coordinates","179563","2020-10-21","18:00:00",""
"4503282","6.3156","0.0014","12.822","0.002","22.026","0.004","90","","90","","90","","1783.6","0.6","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","[1][4]","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Timmons, Daren J.; Pacheco, Matthew R.; Fricke, Kyle A.; Slebodnick, Carla","Assembling Extended Structures with Flavonoids","Crystal Growth & Design","2008","8","8","2765","","10.1021/cg7009572","","x-ray","0.71073","MoKα","","0.0396","0.0291","","","0.0611","0.0627","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503301","8.0576","0.0011","10.7259","0.0014","17.609","0.002","90","","90","","90","","1521.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Dimethylfuchsone","2,6-Dimethyl-4-(diphenylmethylene)-cyclohexa-2,5-dienone","","- C21 H18 O -","- C21 H18 O -","- C84 H72 O4 -","4","1","","Chandran, Sreekant K.; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini","Polymorphism in Fuchsones","Crystal Growth & Design","2008","8","1","140","","10.1021/cg700977w","","","0.71073","MoKα","","0.0331","0.0319","","","0.0782","0.0788","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503315","7.5101","0.0012","8.8916","0.0015","13.734","0.002","90","","90","","90","","917.1","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Ho N O7 -","- C6 H8 Ho N O7 -","- C24 H32 Ho4 N4 O28 -","4","1","","Chen, Zhi; Zhao, Bin; Zhang, Yang; Shi, Wei; Cheng, Peng","Construction and Characterization of Several New Lanthanide−Organic Frameworks: From 2D Lattice to 2D Double-Layer and to Porous 3D Net with Interweaving Triple-Stranded Helixes","Crystal Growth & Design","2008","8","7","2291","","10.1021/cg700988s","","","0.71073","MoKα","","0.0187","0.0179","","","0.0425","0.0428","","","","","","1.086","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503316","7.5829","0.001","8.9941","0.0012","13.8525","0.0018","90","","90","","90","","944.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 N O7 Tm -","- C6 H8 N O7 Tm -","- C24 H32 N4 O28 Tm4 -","4","1","","Chen, Zhi; Zhao, Bin; Zhang, Yang; Shi, Wei; Cheng, Peng","Construction and Characterization of Several New Lanthanide−Organic Frameworks: From 2D Lattice to 2D Double-Layer and to Porous 3D Net with Interweaving Triple-Stranded Helixes","Crystal Growth & Design","2008","8","7","2291","","10.1021/cg700988s","","","0.71073","MoKα","","0.0238","0.0227","","","0.0549","0.0554","","","","","","1.087","","","","has coordinates","179564","2020-10-21","18:00:00",""
"4503371","10.1353","0.0014","10.2198","0.0014","11.055","0.0014","90","","90","","90","","1145.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cl N O -","- C11 H14 Cl N O -","- C44 H56 Cl4 N4 O4 -","4","1","","Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting","The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study","Crystal Growth & Design","2008","8","4","1294","","10.1021/cg7010293","","","0.71073","MoKα","","0.07","0.0503","","","0.1168","0.1254","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4503403","8.2131","0.0007","9.7717","0.0008","15.4345","0.0013","90","","90","","90","","1238.71","0.18","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Br3 N2 Pb -","- C6 H11 Br3 N2 Pb -","- C24 H44 Br12 N8 Pb4 -","4","1","","Thirumurugan, A.; Rao, C. N. R.","Supramolecular Organization in Lead Bromide Salts of Imidazolium-Based Ionic Liquids","Crystal Growth & Design","2008","8","5","1640","","10.1021/cg7010875","","","0.71073","MoKα","","0.0399","0.0282","","","0.0563","0.06","","","","","","1.016","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503444","5.1254","0.0002","9.3683","0.0003","31.5145","0.001","90","","90","","90","","1513.21","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N5 O6 -","- C12 H21 N5 O6 -","- C48 H84 N20 O24 -","4","1","","Srinivasan, P.; Vidyalakshmi, Y.; Gopalakrishnan, R.","Studies on the Synthesis, Growth, Crystal Structure, and Nonlinear Optical Properties of a Novel Nonlinear Optical Crystal:l-Argininium-4-nitro Phenolate Monohydrate (LARP)","Crystal Growth & Design","2008","8","7","2329","","10.1021/cg701126t","","","0.71073","MoKα","","0.0463","0.0408","","","0.1082","0.1118","","","","","","1.085","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503522","9.0184","0.0004","9.9048","0.0006","10.3237","0.0007","90","","90","","90","","922.17","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 N2 O7 U -","- C6 H4 N2 O7 U -","- C24 H16 N8 O28 U4 -","4","1","","Masci, Bernardo; Thuéry, Pierre","Pyrazinetetracarboxylic Acid as an Assembler Ligand in Uranyl−Organic Frameworks","Crystal Growth & Design","2008","8","5","1689","","10.1021/cg701246j","","","0.71073","MoKα","","0.0258","0.0253","","","0.0648","0.0652","","","","","","1.032","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503528","10.974","0.003","13.124","0.004","21.098","0.006","90","","90","","90","","3038.6","1.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H94 N4 O22 P6 -","- C52 H94 N4 O22 P6 -","- C104 H188 N8 O44 P12 -","2","0.5","","Kong, Deyuan; Yao, Jiyong; Clearfield, Abraham; Zon, Jerzy","Hydrogen-Bonded Structures Formed from the Reaction of 1,3,5-Benzene-triphosphonic Acid and Adamantane","Crystal Growth & Design","2008","8","8","2892","","10.1021/cg701253u","","","0.71073","MoKα","","0.0345","0.0323","","","0.0802","0.0816","","","","","","1.066","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503538","6.1554","0.0017","9.108","0.003","24.445","0.006","90","","90","","90","","1370.5","0.7","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C64 H64 O16 -","8","2","","Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Piedade, Manuel E. Minas da","Polymorphism in 4′-Hydroxyacetophenone: Structure and Energetics","Crystal Growth & Design","2008","8","7","2419","","10.1021/cg7012792","","","0.71073","MoKα","","0.1297","0.0562","","","0.099","0.1238","","","","","","0.952","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503539","6.1097","0.0011","9.5293","0.0014","24.313","0.004","90","","90","","90","","1415.5","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C64 H64 O16 -","8","2","","Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Piedade, Manuel E. Minas da","Polymorphism in 4′-Hydroxyacetophenone: Structure and Energetics","Crystal Growth & Design","2008","8","7","2419","","10.1021/cg7012792","","","0.71073","MoKα","","0.0987","0.0406","","","0.084","0.1058","","","","","","0.923","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503545","6.6602","0.001","11.6941","0.0018","22.788","0.004","90","","90","","90","","1774.8","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H8 N2 O12 Th -","- C14 H6 N2 O12 Th -","- C56 H24 N8 O48 Th4 -","4","1","","Frisch, Mark; Cahill, Christopher L.","Thorium(IV) Coordination Polymers in the Pyridine and Pyrazinedicarboxylic Acid Systems","Crystal Growth & Design","2008","8","8","2921","","10.1021/cg800029z","","","0.71073","MoKα","","0.0739","0.0456","","","0.0797","0.0899","","","","","","1.029","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503546","9.6134","0.0011","10.0722","0.0012","16.17","0.0019","90","","90","","90","","1565.7","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H6 N2 O9 Th -","- C14 H6 N2 O9 Th -","- C56 H24 N8 O36 Th4 -","4","1","","Frisch, Mark; Cahill, Christopher L.","Thorium(IV) Coordination Polymers in the Pyridine and Pyrazinedicarboxylic Acid Systems","Crystal Growth & Design","2008","8","8","2921","","10.1021/cg800029z","","","0.71073","MoKα","","0.0525","0.0361","","","0.0468","0.051","","","","","","0.683","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4503624","13.7783","0.0008","22.924","0.0016","7.719","0.0005","90","","90","","90","","2438.1","0.3","298.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mestanolone salicylic acid 1:1 cocrystal","17B-hydroxy-17A-methyl-5A-androstan-3-one salicylic acid","","- C27 H38 O5 -","- C27 H38 O5 -","- C108 H152 O20 -","4","1","","Takata, Noriyuki; Shiraki, Koji; Takano, Ryusuke; Hayashi, Yoshiki; Terada, Katsuhide","Cocrystal Screening of Stanolone and Mestanolone Using Slurry Crystallization","Crystal Growth & Design","2008","8","8","3032","","10.1021/cg800156k","","","1.54178","CuKα","","","0.0443","","","","0.1202","","","","","","1.039","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503661","18.577","0.004","20.125","0.004","20.895","0.004","90","","90","","90","","7812","3","293","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H66 Mo5 N24 Ni2 O31 P2 -","- C48 H61 Mo5 N24 Ni2 O31 P2 -","- C192 H244 Mo20 N96 Ni8 O124 P8 -","4","1","","Qin, Chao; Wang, Xin-Long; Yuan, Ling; Wang, En-Bo","Chiral Self-Threading Frameworks Based on Polyoxometalate Building Blocks Comprising Unprecedented Tri-Flexure Helix","Crystal Growth & Design","2008","8","7","2093","","10.1021/cg800242a","","","0.71073","MoKα","","0.0882","0.0639","","","0.1417","0.1539","","","","","","1.053","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503662","18.658","0.005","20.089","0.005","21.137","0.005","90","0.005","90","0.005","90","0.005","7923","3","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H66 Mo5 N24 Ni2 O31 P2 -","- C48 H49 Mo5 N24 Ni2 O31 P2 -","- C192 H196 Mo20 N96 Ni8 O124 P8 -","4","1","","Qin, Chao; Wang, Xin-Long; Yuan, Ling; Wang, En-Bo","Chiral Self-Threading Frameworks Based on Polyoxometalate Building Blocks Comprising Unprecedented Tri-Flexure Helix","Crystal Growth & Design","2008","8","7","2093","","10.1021/cg800242a","","","0.71069","MoKα","","0.1315","0.0691","","","0.1269","0.1516","","","","","","1.015","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503679","6.8459","0.0006","12.4795","0.0011","21.686","0.002","90","","90","","90","","1852.7","0.3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Cu N14 O2 S2 -","- C10 H12 Cu N14 O2 S2 -","- C40 H48 Cu4 N56 O8 S8 -","4","1","","Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand","Crystal Growth & Design","2008","8","10","3652","","10.1021/cg8002564","","","0.7107","MoKα","","0.0251","0.0207","","","0.0454","0.0461","","","","","","0.987","","","","has coordinates","179571","2020-10-21","18:00:00",""
"4503740","9.3082","0.0005","14.178","0.0007","26.0421","0.0013","90","","90","","90","","3436.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H30 Cd N4 O6 -","- C43 H30 Cd N4 O6 -","- C172 H120 Cd4 N16 O24 -","4","1","","Shi, Qian; Sun, Yunti; Sheng, Lizi; Ma, Kefang; Hu, Maolin; Hu, Xingen; Huang, Shaoming","Anion-Dependent Crystallization of Four Supramolecular Cadmium Complexes: Structures and Property Studies","Crystal Growth & Design","2008","8","9","3401","","10.1021/cg8003504","","","0.71073","MoKα","","0.0338","0.0323","","","0.0756","0.0764","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503831","9.5171","0.0011","16.7926","0.0019","24.166","0.003","90","","90","","90","","3862.1","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","I (disordered succinic acid and solvent)","Iminodicarboxylic acid trans-4-aminocyclohexyl mutilin-14 ester (salt)","","- C32 H50 N2 O10 -","- C28 H44 N2 O6 -","- C112 H176 N8 O24 -","4","1","","Clawson, Jacalyn S.; Vogt, Frederick G.; Brum, Jeffrey; Sisko, Joseph; Patience, Daniel B.; Dai, Wenning; Sharpe, Sonja; Jones, Alan D.; Pham, Tran N.; Johnson, Matthew N.; Copley, Royston C. P.","Formation and Characterization of Crystals Containing a Pleuromutilin Derivative, Succinic Acid and Water","Crystal Growth & Design","2008","8","11","4120","","10.1021/cg8005713","","","0.71073","MoKα","","0.069","0.0607","","","0.166","0.171","","","","","","1.07","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503876","13.8359","0.0003","13.9322","0.0002","30.3691","0.0005","90","","90","","90","","5854.09","0.18","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H92 Br2 O2 P4 Pt2 -","- C50 H92 Br2 O2 P4 Pt2 -","- C200 H368 Br8 O8 P16 Pt8 -","4","1","","Maran, Umamageswaran; Conley, Hiram; Frank, Markus; Arif, Atta M.; Orendt, Anita M.; Britt, David; Hlady, Vladimir; Davis, Robert; Stang, Peter J.","Giant micelles of organoplatinum(II) gemini amphiphiles.","Langmuir : the ACS journal of surfaces and colloids","2008","24","10","5400","5410","10.1021/la800136p","","","0.71073","MoKα","","0.0683","0.0439","","","0.0881","0.0996","","","","","","1.018","","","","has coordinates,has disorder","179573","2020-10-21","18:00:00",""
"4503917","13.574","0.003","15.592","0.003","21.473","0.004","90","","90","","90","","4544.7","1.6","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,4,7-Tribromo-2,3,5,6,8,9-hexachloroazatriquinacene * C70","","","- C79 Br3 Cl6 N -","- C79 Br3 Cl6 N -","- C316 Br12 Cl24 N4 -","4","1","","Pham, David; Ceron-Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L.","Ordered Crystals of Fullerenes Produced by Cocrystallization with Halogenated Azatriquinacenes","Crystal Growth & Design","2007","7","1","75","","10.1021/cg060438w","","","0.71073","MoKα","","0.0464","0.0353","","","0.0797","0.084","","","","","","1.03","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503926","7.478","0.003","9.884","0.004","11.222","0.005","90","","90","","90","","829.4","0.6","175","2","175","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 Cl F3 O -","- C8 H4 Cl F3 O -","- C32 H16 Cl4 F12 O4 -","4","1","","Chopra, Deepak; Thiruvenkatam, Vijay; Manjunath, S. G.; Guru Row, Tayur N.","Variability in Halogen Interactions: In situ Cryocrystallization of Low Melting Substituted Trifluoroacetophenones","Crystal Growth & Design","2007","7","5","868","","10.1021/cg0604881","","","0.71073","MoKα","","0.0482","0.0398","","","0.1004","0.1056","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504114","6.8035","0.0015","9.861","0.002","12.956","0.003","90","","90","","90","","869.2","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H10 F3 In N2 O4 Se -","- C2 H10 F3 In N2 O4 Se -","- C8 H40 F12 In4 N8 O16 Se4 -","4","1","","Feng, Mei-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","New Organically Templated Gallium and Indium Selenites or Selenates with One-, Two-, and Three-Dimensional Structures","Crystal Growth & Design","2007","7","4","770","","10.1021/cg060824d","","","0.71073","MoKα","","0.0235","0.0217","","","0.0514","0.0521","","","","","","1.093","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504133","5.881","0.004","13.609","0.008","30.225","0.018","90","","90","","90","","2419","3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 N O4 -","- C29 H29 N O4 -","- C116 H116 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.1713","0.1171","","","0.2812","0.3487","","","","","","1.032","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504136","5.972","0.0006","32.194","0.004","13.442","0.003","90","","90","","90","","2584.4","0.7","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N O4 -","- C30 H31 N O4 -","- C120 H124 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.138","","","","0.171","","","","","","2.63","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504137","5.961","0.003","13.052","0.006","32.917","0.017","90","","90","","90","","2561","2","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 N O4 -","- C31 H35 N O4 -","- C124 H140 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.0804","0.0643","","","0.1427","0.1541","","","","","","1.085","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504138","6.059","0.0007","34.837","0.005","13.478","0.003","90","","90","","90","","2844.9","0.8","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 N O4 -","- C32 H35 N O4 -","- C128 H140 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.146","","","","0.175","","","","","","3.138","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504140","6.026","0.007","13.604","0.016","31.8","0.04","90","","90","","90","","2607","5","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 N O4 -","- C31 H35 N O4 -","- C124 H140 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.1726","0.1158","","","0.2521","0.3019","","","","","","1.111","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504141","6.025","0.006","13.348","0.015","33.02","0.04","90","","90","","90","","2656","5","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 N O4 -","- C32 H37 N O4 -","- C128 H148 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.2029","0.1577","","","0.3585","0.4","","","","","","1.203","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504142","13.746","0.002","6.088","0.0006","34.185","0.006","90","","90","","90","","2860.8","0.7","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H37 N O4 -","- C132 H148 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.072","","","","0.084","","","","","","1.219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504145","5.992","0.008","13.568","0.019","35.49","0.05","90","","90","","90","","2885","7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 N O4 -","- C34 H41 N O4 -","- C136 H164 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.1886","0.1324","","","0.2932","0.3437","","","","","","1.131","","","","has coordinates,has disorder","179576","2020-10-21","18:00:00",""
"4504148","5.828","0.008","13.762","0.017","37.55","0.05","90","","90","","90","","3012","7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 N O4 -","- C37 H39 N O4 -","- C148 H156 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.1703","0.1187","","","0.2517","0.301","","","","","","1.09","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504149","5.943","0.006","13.683","0.013","38.1","0.04","90","","90","","90","","3098","5","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 N O4 -","- C38 H41 N O4 -","- C152 H164 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.1948","0.1528","","","0.3408","0.3838","","","","","","1.15","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504186","9.8937","0.0004","14.9532","0.0007","18.5593","0.0008","90","","90","","90","","2745.7","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H43 N O3 P2 Pd -","- C24 H43 N O3 P2 Pd -","- C96 H172 N4 O12 P8 Pd4 -","4","1","","Johansson, Roger; Öhrström, Lars; Wendt, Ola F.","Hydrogen Bond Control of Dimensionality in Organometallic {2,6-Bis[(di-t-butylphosphino)methyl]phenyl}palladium(II) Compounds: Dimers, Chains, and a 3D-Net with an Apparent Channel Structure","Crystal Growth & Design","2007","7","10","1974","","10.1021/cg060913q","","","0.71073","MoKα","","0.0609","0.032","","","0.067","0.0691","","","","","","1.008","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504207","7.389","0.0008","9.904","0.001","20.499","0.002","90","","90","","90","","1500.1","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Cl3 Co N3 S -","- C10 H12 Cl3 Co N3 S -","- C40 H48 Cl12 Co4 N12 S4 -","4","1","","Won, Tae-Jin; Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.","Cobalt(II), Copper(II), and Zinc(II) Framework Systems Derived from Ditopic Pyridyl-Acetylacetone and Pyridyl-Pyrazole Ligands","Crystal Growth & Design","2007","7","5","972","","10.1021/cg0700317","","","0.71073","MoKα","","0.0231","0.0224","","","0.0519","0.0521","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504291","13.244","0.0007","5.9984","0.0003","9.0482","0.0002","90","","90","","90","","718.81","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Carboxylic Acid-4-Nitropyridine-1-Oxide","","- C6 H4 N2 O5 -","- C6 H4 N2 O5 -","- C24 H16 N8 O20 -","4","1","","Wu, Wenshi; Wu, Dongsheng; Cheng, Wendan; Zhang, Hao; Dai, Jincao","Syntheses, Crystal Growths, and Nonlinear Optical Properties for 2-Carboxylic acid-4-nitropyridine-1-oxide Crystals with Two Different Arrangements of Chromophores","Crystal Growth & Design","2007","7","11","2316","","10.1021/cg0702378","","","0.71073","MoKα","","0.0327","0.0301","","","0.0827","0.0864","","","","","","1.02","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504292","5.5509","0.0003","9.8139","0.0007","13.2554","0.0003","90","","90","","90","","722.1","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Carboxylic Acid-4-Nitropyridine-1-Oxide","","- C6 H4 N2 O5 -","- C6 H4 N2 O5 -","- C24 H16 N8 O20 -","4","1","","Wu, Wenshi; Wu, Dongsheng; Cheng, Wendan; Zhang, Hao; Dai, Jincao","Syntheses, Crystal Growths, and Nonlinear Optical Properties for 2-Carboxylic acid-4-nitropyridine-1-oxide Crystals with Two Different Arrangements of Chromophores","Crystal Growth & Design","2007","7","11","2316","","10.1021/cg0702378","","","0.71073","MoKα","","0.0565","0.0482","","","0.1131","0.1216","","","","","","0.948","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504302","9.2596","0.0004","9.7379","0.0004","26.6724","0.0014","90","","90","","90","","2405.03","0.19","298","2","298","2","","","","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","SaltyrCu","","","- C26 H25 Cu N3 O4 -","- C26 H25 Cu N3 O4 -","- C104 H100 Cu4 N12 O16 -","4","1","","Alam, Md. Akhtarul; Koner, Rik Rani; Das, Amrita; Nethaji, Munirathinum; Ray, Manabendra","Rationalizing the Effects of Amino Acid Side Chain, Pyridine, and Imidazole on the Assembly and Reversible Disassembly of a Octanuclear Cu(II) Complex","Crystal Growth & Design","2007","7","9","1818","","10.1021/cg070250s","","","0.71073","MoKα","","0.0456","0.0314","","","0.0497","0.0513","","","","","","1.184","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504354","4.8485","0.001","13.756","0.004","22.096","0.005","90","","90","","90","","1473.7","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71075","MoKα","","0.1136","0.0667","","","0.16","0.1917","","","","","","1.061","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504356","5.043","0.002","7.064","0.003","32.897","0.013","90","","90","","90","","1171.9","0.8","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71069","MoKα","","0.0874","0.0725","","","0.1889","0.2083","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504360","5.5629","0.0004","7.4679","0.0006","22.108","0.0018","90","","90","","90","","918.44","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-amino-4-(4-pyridyl)-6-methylpyrimidine","","- C10 H10 N4 -","- C10 H10 N4 -","- C40 H40 N16 -","4","1","","B. Aakeröy, Christer; Schultheiss, Nate; Desper, John; Moore, Curtis","Balancing Hydrogen-Bond Donors and Acceptors in a Family of Bifunctional Aromatic N-Heterocycles","Crystal Growth & Design","2007","7","11","2324","","10.1021/cg070373c","","","0.71073","MoKα","","0.0383","0.0365","","","0.1003","0.1022","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504370","7.9134","0.0006","11.1318","0.0008","18.3143","0.0014","90","","90","","90","","1613.3","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H18 Mg2 O17 -","- C8 H18 Mg2 O17 -","- C32 H72 Mg8 O68 -","4","1","","Kam, Kinson C.; Young, Karen L. M.; Cheetham, Anthony K.","Chemical and Structural Diversity in Chiral Magnesium Tartrates and their Racemic andMesoAnalogues","Crystal Growth & Design","2007","7","8","1522","","10.1021/cg070388a","","","0.71073","MoKα","","0.0352","0.0338","","","0.0894","0.0918","","","","","","0.856","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504378","8.358","0.002","9.105","0.002","18.954","0.004","90","","90","","90","","1442.4","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 Cl2 N4 -","- C15 H10 Cl2 N4 -","- C60 H40 Cl8 N16 -","4","1","","Lu, Zhengliang; Gamez, Patrick; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","Supramolecular Assemblies Generated from Both Lone-Pair···π and C−H···π Binding Interactions","Crystal Growth & Design","2007","7","9","1669","","10.1021/cg0704302","","","0.71073","MoKα","","0.0822","0.0372","","","0.0634","0.0755","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504399","6.2515","0.0018","9.199","0.003","19.577","0.006","90","","90","","90","","1125.8","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Liu, Zhi-Min; Yi, Xiang-Hui","Can One-Dimensional Water Be Controlled by Transformation of Substitution Groups Based on Organic Hosts?","Crystal Growth & Design","2007","7","11","2272","","10.1021/cg070487o","","","0.71073","MoKα","","0.0545","0.0471","","","0.1114","0.1165","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504401","4.874","0.0001","10.5636","0.0003","30.8767","0.001","90","","90","","90","","1589.75","0.08","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O4 -","- C15 H20 N2 O4 -","- C60 H80 N8 O16 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Liu, Zhi-Min; Yi, Xiang-Hui","Can One-Dimensional Water Be Controlled by Transformation of Substitution Groups Based on Organic Hosts?","Crystal Growth & Design","2007","7","11","2272","","10.1021/cg070487o","","","0.71073","MoKα","","0.0884","0.0447","","","0.0812","0.0911","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504402","8.9189","0.0005","10.2904","0.0005","27.9198","0.0014","90","","90","","90","","2562.5","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 N2 O6 -","- C29 H34 N2 O6 -","- C116 H136 N8 O24 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Tunable Two-Component Host System with Multiple Chiral Points Composed of Cyclohexanediamine and 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid","Crystal Growth & Design","2007","7","9","1676","","10.1021/cg070507m","","","0.71073","MoKα","","0.0452","0.0399","","","0.0937","0.1013","","","","","","1.068","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504403","8.8746","0.0005","10.4445","0.0006","28.283","0.0015","90","","90","","90","","2621.6","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O6 -","- C30 H36 N2 O6 -","- C120 H144 N8 O24 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Tunable Two-Component Host System with Multiple Chiral Points Composed of Cyclohexanediamine and 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid","Crystal Growth & Design","2007","7","9","1676","","10.1021/cg070507m","","","0.71073","MoKα","","0.0485","0.0443","","","0.1091","0.1118","","","","","","1.067","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504404","9.1854","0.0006","15.1465","0.0011","36.763","0.003","90","","90","","90","","5114.7","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C59 H66 N2 O11 -","- C59 H65 N2 O11 -","- C236 H260 N8 O44 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Tunable Two-Component Host System with Multiple Chiral Points Composed of Cyclohexanediamine and 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid","Crystal Growth & Design","2007","7","9","1676","","10.1021/cg070507m","","","0.71073","MoKα","","0.0571","0.0497","","","0.1165","0.1227","","","","","","1.053","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504576","5.916","0.0009","10.4229","0.0015","13.453","0.002","90","","90","","90","","829.5","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Co O8 -","- C6 H8 Co O8 -","- C24 H32 Co4 O32 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Ma, Jin Shi","Versatile Framework Solids Constructed from Divalent Transition Metals and Citric Acid: Syntheses, Crystal Structures, and Thermal Behaviors","Crystal Growth & Design","2006","6","2","375","","10.1021/cg0503245","","","0.71073","MoKα","","0.0321","0.0269","","","0.0605","0.0628","","","","","","1.07","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504577","10.634","0.002","11.958","0.002","19.734","0.004","90","","90","","90","","2509.4","0.8","170","1","170","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N2 O7.25 -","- C27 H28 N2 O7.15 -","- C108 H112 N8 O28.6 -","4","1","","Kalisiak, Jarosław; Jurczak, Janusz","Asymmetric Crystallization of an Achiral Lariat-type Macrocyclic Compound","Crystal Growth & Design","2006","6","1","20","","10.1021/cg050325x","","","0.71073","MoKα","","0.0918","0.0509","","","0.1314","0.1515","","","","","","0.87","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504590","5.5395","0.0012","13.402","0.003","7.715","0.001","90","0.005","90","0.005","90","0.005","572.76","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,3-diamino-1,2,3-triazolium chloride","","","- C2 H6 Cl N5 -","- C2 H6 Cl N5 -","- C8 H24 Cl4 N20 -","4","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71069","MoKα","","0.0804","0.0544","","","0.0898","0.0968","","","","","","1.052","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504591","5.6109","0.0005","6.778","0.0009","16.3497","0.0005","90","","90","","90","","621.79","0.1","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,4-diamino-1,2,4-triazolium chloride","","","- C2 H6 Cl N5 -","- C2 H6 Cl N5 -","- C8 H24 Cl4 N20 -","4","1","","Laus, G.; Kahlenberg, V.; Többens, D. M.; Jetti, R. K. R.; Griesser, U. J.; Schütz, J.; Kristeva, E.; Wurst, K.; Schottenberger, H.","Lattice Architecture and Hydrogen-Bonding Networks ofN-Aminoazolium andN,N‘-Diaminoazolium Chlorides","Crystal Growth & Design","2006","6","2","404","","10.1021/cg0503595","","","0.71073","MoKα","","0.027","0.0242","","","0.0612","0.063","","","","","","1.099","","","","has coordinates","179580","2020-10-21","18:00:00",""
"4504605","7.0204","0.0019","7.4522","0.0014","15.213","0.0055","90","","90","","90","","795.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl N O2 -","- C6 H12 Cl N O2 -","- C24 H48 Cl4 N4 O8 -","4","1","","Adams, Christopher J.; Angeloni, Alessandro; Orpen, A. Guy; Podesta, Thomas J.; Shore, Benjamin","Crystal Synthesis of Organic−Inorganic Hybrid Salts Based on Tetrachloroplatinate and -palladate Salts of Organic Cations: Formation of Linear, Two-, and Three-Dimensional NH···Cl Hydrogen Bond Networks","Crystal Growth & Design","2006","6","2","411","","10.1021/cg050362o","","","0.71073","MoKα","","0.0477","0.0338","","","0.0729","0.0775","","","","","","1.019","","","","has coordinates","179581","2020-10-21","18:00:00",""
"4504719","7.366","0.0001","7.42","0.0001","39.302","0.0006","90","","90","","90","","2148.08","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N6 O3 S -","- C19 H28 N6 O3 S -","- C76 H112 N24 O12 S4 -","4","1","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Incorporation of Dyes into Hydrogen-Bond Networks: The Structures and Properties of Guanidinium Sulfonate Derivatives Containing Ethyl Orange and 4-Aminoazobenzene-4‘-sulfonate","Crystal Growth & Design","2006","6","2","546","","10.1021/cg050499e","","","0.71073","MoKα","","0.0457","0.0371","","","0.0889","0.0929","","","","","","1.026","","","","has coordinates,has disorder","179582","2020-10-21","18:00:00",""
"4504838","8.9399","0.0007","19.3683","0.0015","20.2739","0.0015","90","","90","","90","","3510.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H60 N2 O5 -","- C35 H60 N2 O5 -","- C140 H240 N8 O20 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids","Crystal Growth & Design","2005","5","4","1545","","10.1021/cg050020i","","","0.71073","MoKα","","0.0434","0.0399","","","0.097","0.0991","","","","","","1.042","","","","has coordinates","179583","2020-10-21","18:00:00",""
"4504863","6.0212","0.001","12.4652","0.0019","19.166","0.003","90","","90","","90","","1438.5","0.4","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-[(2-chlorobenzimidazol-1-yl)methyl]benzamide","","- C15 H14 Cl N3 O2 -","- C15 H14 Cl N3 O2 -","- C60 H56 Cl4 N12 O8 -","4","1","","Aakeröy, Christer B.; Desper, John; Urbina, Joaquin F.","Syntheses and Crystal Structures of Versatile Supramolecular Reagents Based upon [(Benzimidazol-1-yl)methyl]-benzamides","Crystal Growth & Design","2005","5","3","1283","","10.1021/cg049579t","","","0.71073","MoKα","","0.0602","0.0382","","","0.0755","0.0821","","","","","","0.937","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504917","5.9131","0.0004","10.4071","0.0009","13.4411","0.0007","90","","90","","90","","827.14","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cobalt citrate monohydrate","","","- C6 H8 Co O8 -","- C6 H8 Co O8 -","- C24 H32 Co4 O32 -","4","1","","Zhou, Zhao-Hui; Deng, Yuan-Fu; Wan, Hui-Lin","Structural Diversities of Cobalt(II) Coordination Polymers with Citric Acid","Crystal Growth & Design","2005","5","3","1109","","10.1021/cg0496282","","","0.71073","MoKα","","0.0427","0.0383","","","0.071","0.0723","","","","","","0.997","","","","has coordinates","179584","2020-10-21","18:00:00",""
"4504980","7.4589","0.0015","8.1654","0.0016","13.538","0.003","90","","90","","90","","824.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H11 N O7 P2 -","- C2 H11 N O7 P2 -","- C8 H44 N4 O28 P8 -","4","1","","Kong, Deyuan; McBee, Jennifer L.; Clearfield, Abraham","Crystal Engineered Acid‒Base Complexes with 2D and 3D Hydrogen Bonding Systems Using a Bisphosphonic Acid as the Building Block","Crystal Growth & Design","2005","5","2","643","649","10.1021/cg0497243","","","0.71073","MoKα","","0.0317","0.0317","","","0.0847","0.0848","","","","","","1.141","","","","has coordinates","210354","2020-10-21","18:00:00",""
"4505032","9.423","0.0019","17.386","0.004","19.934","0.004","90","","90","","90","","3265.8","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 Ag2 N10 O8 -","- C27 H32 Ag2 N10 O8 -","- C108 H128 Ag8 N40 O32 -","4","1","","Zhang, Guoqi; Yang, Guoqiang; Chen, Qingqi; Ma, Jin Shi","Novel Network Polymers Formed by Self-Assembly of Silver Nitrate and Pyrrol-2-yl-methyleneamine Ligands with Flexible Spacers","Crystal Growth & Design","2005","5","2","661","","10.1021/cg049833h","","","0.71073","MoKα","","0.0609","0.0423","","","0.0912","0.0964","","","","","","0.938","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505045","7.348","0.002","11.388","0.002","24.295","0.005","90","","90","","90","","2033","0.8","293","2","293","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cu2 N2 O8 -","- C18 H22 Cu2 N2 O8 -","- C72 H88 Cu8 N8 O32 -","4","1","","Yang, Xiandong; Wu, Daqing; Ranford, John D.; Vittal, Jagadese J.","Influence of the CO···π Interaction on the Thermal Dehydration Behavior of [Cu2(sgly)2(H2O)]·1H2O†","Crystal Growth & Design","2005","5","1","41","","10.1021/cg0498406","","","0.71073","MoKα","","0.068","0.0382","","","0.0673","0.0771","","","","","","0.927","","","","has coordinates","179585","2020-10-21","18:00:00",""
"4505074","9.909","0.0004","10.27","0.0004","22.01","0.0008","90","","90","","90","","2239.86","0.15","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4-(4-aminophenylsulfanyl)aniline).(4-(4-hydroxyphenylsulfanyl)phenol)","","- C24 H22 N2 O2 S2 -","- C24 H22 N2 O2 S2 -","- C96 H88 N8 O8 S8 -","4","1","","Vangala, Venu R.; Mondal, Raju; Broder, Charlotte K.; Howard, Judith A. K.; Desiraju, Gautam R.","Dianiline-Diphenol Molecular Complexes Based on Supraminol Recognition","Crystal Growth & Design","2005","5","1","99","","10.1021/cg049967v","","","0.71073","MoKα","","0.0428","0.0369","","","0.0936","0.0965","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505135","15.0589","0.0004","19.1974","0.0005","24.4592","0.0006","90","","90","","90","","7071","0.3","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[ZnTPP(TMDAE)]xC60x(C6H6)0.7x(C6H5Cl)0.3","","","- C116 H49.7 Cl0.3 N6 Zn -","- C116 H49.7 Cl0.3 N6 Zn -","- C464 H198.8 Cl1.2 N24 Zn4 -","4","1","","Litvinov, Aleksey L.; Konarev, Dmitri V.; Kovalevsky, Andrey Yu.; Neretin, Ivan S.; Coppens, Philip; Lyubovskaya, Rimma N.","[60]Fullerene Complexes with Supramolecular Zinc Tetraphenylporphyrin Assemblies: Synthesis, Crystal Structures, and Optical Properties","Crystal Growth & Design","2005","5","5","1807","","10.1021/cg050095m","","","0.71073","MoKα","","0.0622","0.0454","","","0.1113","0.1259","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505145","6.436","0.002","15.863","0.005","20.213","0.007","90","","90","","90","","2063.6","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(1-hydroxymethyl-2-methylpropyl)-4-(1,2,3,4- tetrahydro-1,4-methanonaphthalene-9-carbonyl)-benzamide","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.1944","0.0706","","","0.1103","0.1485","","","","","","0.972","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505146","5.419","0.001","10.052","0.002","39.197","0.007","90","","90","","90","","2135.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-N-(1-cyclohexylethyl)-4-(1,2,3,4-tetrahydro-1,4- methanonaphthalene-9-carbonyl)benzamide","","- C27 H31 N O2 -","- C27 H31 N O2 -","- C108 H124 N4 O8 -","4","1","","Natarajan, Arunkumar; Mague, Joel T.; Ramamurthy, V.","Viability of a Covalent Chiral Auxiliary Method to Induce Asymmetric Induction in Solid-State Photoreactions Explored","Crystal Growth & Design","2005","5","6","2348","","10.1021/cg0501175","","","0.71073","MoKα","","0.124","0.0764","","","0.1564","0.1765","","","","","","1.041","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505164","5.1328","0.0004","17.2924","0.0014","18.9976","0.0015","90","","90","","90","","1686.2","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N,N'-bis(isonicotinoyl)(1R,2R)diaminocyclohexane","","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C72 H80 N16 O8 -","4","1","","Anthony, S. Philip; Basavaiah, K.; Radhakrishnan, T. P.","Chiral Vicinal Bis(amide) Molecules: Polar/Helical Assemblies in Crystals and Second Harmonic Generation","Crystal Growth & Design","2005","5","5","1663","","10.1021/cg0501231","","","0.71073","MoKα","","0.0907","0.044","","","0.0788","0.0901","","","","","","0.88","","","","has coordinates","179586","2020-10-21","18:00:00",""
"4505175","11.6715","0.0004","13.2581","0.0004","18.4734","0.0006","90","","90","","90","","2858.61","0.16","183.2","","183.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Cl Mo O2 P2 -","- C32 H31 Cl Mo O2 P2 -","- C128 H124 Cl4 Mo4 O8 P8 -","4","1","","Faller, J. W.; Sarantopoulos, Nikos","Crystallization-Induced Asymmetric Transformations in Crotyl Molybdenum Complexes†","Crystal Growth & Design","2005","5","6","2356","","10.1021/cg050152b","","","0.7107","MoKα","","0.0596","0.034","","0.041","","0.034","","","0.759","","","0.73","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505219","8.5398","0.0006","10.75","0.0009","18.1077","0.0011","90","","90","","90","","1662.3","0.2","153","2","153","2","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Mo3 N2 O14 S -","- C5 H16 Mo3 N2 O14 S -","- C20 H64 Mo12 N8 O56 S4 -","4","1","","Muller, Eric A.; Cannon, Robert J.; Sarjeant, Amy Narducci; Ok, Kang Min; Halasyamani, P. Shiv; Norquist, Alexander J.","Directed Synthesis of Noncentrosymmetric Molybdates","Crystal Growth & Design","2005","5","5","1913","","10.1021/cg050184z","","","0.7107","MoKα","","0.0482","0.0231","","0.0527","0.0524","0.0524","","","","","","0.8768","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505292","8.5535","0.001","9.89","0.0007","33.038","0.003","90","","90","","90","","2794.8","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(4-Nitrobenzoyl)-a-methylbenzylamine","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C120 H112 N16 O24 -","8","2","","Hendi, Mukta S.; Hooter, Paul; Davis, Raymond E.; Lynch, Vincent M.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates: N-(4-Methylbenzoyl)methylbenzylamine andN-(4-Nitrobenzoyl)methylbenzylamine","Crystal Growth & Design","2004","4","1","95","","10.1021/cg0341353","","","0.71073","MoKα","","0.1188","0.0613","","","0.1336","0.1599","","","","","","1.061","","","","has coordinates","179587","2020-10-21","18:00:00",""
"4505353","13.9104","0.0004","17.0365","0.0002","20.815","0.0005","90","","90","","90","","4932.83","0.19","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyltriphenylphosphonium tris(dicyanamido)ferrate(II)","","- C25 H18 Fe N9 P -","- C25 H18 Fe N9 P -","- C200 H144 Fe8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.112","0.0537","","","0.0737","0.0852","","","","","","0.993","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505354","13.8718","0.0002","16.9489","0.0002","20.772","0.0003","90","","90","","90","","4883.74","0.12","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyltriphenylphosphonium tris(dicyanamido)cobaltate(II)","","- C25 H18 Co N9 P -","- C25 H18 Co N9 P -","- C200 H144 Co8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0658","0.0387","","","0.0609","0.067","","","","","","1.023","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505355","13.8039","0.0003","16.8679","0.0002","20.7639","0.0006","90","","90","","90","","4834.72","0.18","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyltriphenylphosphonium tris(dicyanamido)nickelate(II)","","- C25 H18 N9 Ni P -","- C25 H18 N9 Ni P -","- C200 H144 N72 Ni8 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.1388","0.0639","","","0.0672","0.079","","","","","","0.978","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505356","14.3759","0.0001","16.9055","0.0001","21.6345","0.0002","90","","90","","90","","5257.87","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium tris(dicyanamido)mangenate(II)","","- C26 H20 Mn N9 P -","- C26 H20 Mn N9 P -","- C208 H160 Mn8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0409","0.031","","","0.0639","0.0673","","","","","","1.022","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505357","14.2228","0.0002","16.705","0.0001","21.602","0.0003","90","","90","","90","","5132.46","0.11","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium tris(dicyanamido)cobaltate(II)","","- C26 H20 Co N9 P -","- C26 H20 Co N9 P -","- C208 H160 Co8 N72 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0856","0.06","","","0.0698","0.0738","","","","","","1.087","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505358","14.1192","0.0001","16.6545","0.0001","21.5833","0.0002","90","","90","","90","","5075.27","0.07","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ethyltriphenylphosphonium tris(dicyanamido)nickelate(II)","","- C26 H20 N9 Ni P -","- C26 H20 N9 Ni P -","- C208 H160 N72 Ni8 P8 -","8","2","","van der Werff, Patricia M.; Batten, Stuart R.; Jensen, Paul; Moubaraki, Boujemaa; Murray, Keith S.; Cashion, John D.","Structure and Magnetism of 3D Anionic Metal Dicyanamide (MePh3P)[M(dca)3] (M = Fe, Co, Ni) and (EtPh3P)[M(dca)3] (M = Mn, Co, Ni) Networks","Crystal Growth & Design","2004","4","3","503","","10.1021/cg034258n","","","0.71073","MoKα","","0.0672","0.0446","","","0.0636","0.0685","","","","","","1.021","","","","has coordinates","179588","2020-10-21","18:00:00",""
"4505432","7.6004","0.0001","15.4465","0.0002","23.9689","0.0001","90","","90","","90","","2813.94","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cu2 N2 O9 -","- C24 H36 Cu2 N2 O9 -","- C96 H144 Cu8 N8 O36 -","4","1","","Yang, Xiandong; Ranford, John D.; Vittal, Jagadese J.","Isomerism in 1D Coordination Polymers of Cu(II) Complexes ofN-(2-Hydroxybenzyl)-l-valine: Influence of Solvent and Coordination Sphere on the Conformation","Crystal Growth & Design","2004","4","4","781","","10.1021/cg0499717","","","0.71073","MoKα","","0.0898","0.059","","","0.1069","0.1176","","","","","","1.074","","","","has coordinates,has disorder","179589","2020-10-21","18:00:00",""
"4505527","14.9066","0.0005","20.4267","0.0008","21.8526","0.0009","90","","90","","90","","6654","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H104 N2 O47 -","- C46 H102 N2 O47 -","- C184 H408 N8 O188 -","4","1","","Zhang, Ying-Ming; Yang, Zi-Xin; Chen, Yong; Ding, Fei; Liu, Yu","Molecular Binding and Assembly Behavior of β-Cyclodextrin with Piperazine and 1,4-Dioxane in Aqueous Solution and Solid State","Crystal Growth & Design","2012","12","3","1370","","10.1021/cg201446x","","","0.7107","MoKα","","0.0601","0.0585","","","0.1428","0.1472","","","","","","1.185","","","","has coordinates,has disorder","179590","2020-10-21","18:00:00",""
"4505528","12.966","0.01","19.274","0.014","28.12","0.02","90","","90","","90","","7027","9","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H106 N2 O48 -","- C46 H78 N2 O48 -","- C184 H312 N8 O192 -","4","1","","Zhang, Ying-Ming; Yang, Zi-Xin; Chen, Yong; Ding, Fei; Liu, Yu","Molecular Binding and Assembly Behavior of β-Cyclodextrin with Piperazine and 1,4-Dioxane in Aqueous Solution and Solid State","Crystal Growth & Design","2012","12","3","1370","","10.1021/cg201446x","","","0.7107","MoKα","","0.1211","0.1062","","","0.3001","0.3203","","","","","","1.213","","","","has coordinates","179590","2020-10-21","18:00:00",""
"4505636","7.2195","0.0017","12.224","0.003","28.17","0.006","90","","90","","90","","2486","1","213","1","213","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 F3 O6 -","- C26 H29 F3 O6 -","- C104 H116 F12 O24 -","4","1","","Velvadapu, Venkata; Glassford, Ian; Lee, Miseon; Paul, Tapas; Debrosse, Charles; Klepacki, Dorota; Small, Meagan C.; Mackerell, Jr, Alexander D; Andrade, Rodrigo B.","Desmethyl Macrolides: Synthesis and Evaluation of 4,10-Didesmethyl Telithromycin.","ACS medicinal chemistry letters","2012","3","3","211","215","10.1021/ml200254h","","","0.71073","MoKα","","0.0546","0.0429","","","0.0991","0.1101","","","","","","1.086","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505637","7.3789","0.0002","12.7852","0.0003","32.0596","0.0008","90","","90","","90","","3024.53","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-O-Acetyl-4,6-benzylidene-1,5-N-(carbobenzyloxy) imino-2-tosylamino-1,2,5-trideoxy-D-glucitol","","","- C30 H32 N2 O8 S -","- C30 H32 N2 O8 S -","- C120 H128 N8 O32 S4 -","4","1","","Yamaguchi, Takao; Blázquez, Blas; Hesek, Dusan; Lee, Mijoon; Llarrull, Leticia I.; Boggess, Bill; Oliver, Allen G.; Fisher, Jed F.; Mobashery, Shahriar","Inhibitors for Bacterial Cell-Wall Recycling.","ACS medicinal chemistry letters","2012","3","3","238","242","10.1021/ml2002746","","","1.54178","CuKα","","0.0953","0.0546","","","0.1353","0.1673","","","","","","1.034","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505650","8.554","0.003","24.382","0.003","5.903","0.002","90","","90","","90","","1231.2","0.6","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.032","","","","","","2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505694","13.689","0.0001","15.624","0.0001","22.147","0.0002","90","","90","","90","","4736.73","0.06","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Ag2 B2 F8 N8 O2 -","- C43 H52 Ag2 B2 F8 N8 O2 -","- C172 H208 Ag8 B8 F32 N32 O8 -","4","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.7107","MoKα","","0.0264","0.0227","","","0.0554","0.0574","","","","","","0.982","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505718","8.2623","0.0006","8.2625","0.0007","37.064","0.003","90","","90","","90","","2530.3","0.3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,4-bis(2-(4-pyridyl)ethyl)benzene","","- C29 H32 N2 O6 -","- C29 H32 N2 O6 -","- C116 H128 N8 O24 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes","Crystal Growth & Design","2003","3","4","547","","10.1021/cg034047i","","","0.71073","MoKα","","0.0585","0.0503","","","0.1073","0.1148","","","","","","1.162","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505794","18.048","0.002","18.776","0.002","19.106","0.003","90","","90","","90","","6474.4","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H88 N2 O2 P2 -","- C73 H88 N2 O2 P2 -","- C292 H352 N8 O8 P8 -","4","1","","Broder, Charlotte K.; Davidson, Matthew G.; Forsyth, V. Trevor; Howard, Judith A. K.; Lamb, Sarah; Mason, Sax A.","On the Reliability of C−H···O Interactions in Crystal Engineering: Synthesis and Structure of Two Hydrogen Bonded Phosphonium Bis(aryloxide) Salts","Crystal Growth & Design","2002","2","3","163","","10.1021/cg025503q","","","0.71073","MoKα","","0.0418","0.0346","","","0.0795","0.0853","","","","","","1.096","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505795","17.8957","0.0002","18.6462","0.0002","18.9466","0.0002","90","","90","","90","","6322.23","0.12","20","2","20","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H88 N2 O2 P2 -","- C73 H88 N2 O2 P2 -","- C292 H352 N8 O8 P8 -","4","1","","Broder, Charlotte K.; Davidson, Matthew G.; Forsyth, V. Trevor; Howard, Judith A. K.; Lamb, Sarah; Mason, Sax A.","On the Reliability of C−H···O Interactions in Crystal Engineering: Synthesis and Structure of Two Hydrogen Bonded Phosphonium Bis(aryloxide) Salts","Crystal Growth & Design","2002","2","3","163","","10.1021/cg025503q","","","1.3099","Nuclearreactor","","0.0624","0.0593","","","0.1472","0.1497","","","","","","1.07","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505831","6.6692","0.0005","7.7834","0.0015","21.5744","0.0018","90","","90","","90","","1119.9","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2-(2,4,5-Trichloroanilino)propionic Acid","","- C9 H8 Cl3 N O2 -","- C9 H8 Cl3 N O2 -","- C36 H32 Cl12 N4 O8 -","4","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. 2-(2,4,5-Trichloroanilino)propanoic Acid and 2-(2,4,5-Trichlorophenoxy)propanoic Acid","Crystal Growth & Design","2002","2","6","637","","10.1021/cg0255570","","","0.71073","MoKα","","0.1039","0.0561","","","0.1139","0.1324","","","","","","1.06","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505835","8.3945","0.0005","9.5771","0.0005","17.0613","0.001","90","","90","","90","","1371.64","0.14","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-(2-Chlorobenzoyl)-?-methylbenzylamine, (R)-1a","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.1443","0.0586","","","0.0995","0.124","","","","","","1.023","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505836","5.1082","0.0008","16.161","0.003","32.365","0.003","90","","90","","90","","2671.8","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-N-(2-Chlorobenzoyl)-?-methylbenzylamine, (R)-1b","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C120 H112 Cl8 N8 O8 -","8","2","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.1994","0.072","","","0.1104","0.1466","","","","","","1.008","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505838","8.439","0.0008","9.5812","0.0012","17.171","0.002","90","","90","","90","","1388.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-N-(2-Bromobenzoyl)-?-methylbenzylamine, (S)-2","","- C15 H14 Br N O -","- C15 H14 Br N O -","- C60 H56 Br4 N4 O4 -","4","1","","Fomulu, Shella L.; Hendi, Mukta S.; Davis, Raymond E.; Wheeler, Kraig A.","Structural Studies of Enantiomers, Racemates, and Quasiracemates. N-(2-Chlorobenzoyl)methylbenzylamine and N-(2-Bromobenzoyl)methylbenzylamine","Crystal Growth & Design","2002","2","6","645","","10.1021/cg025564o","","","0.71073","MoKα","","0.1194","0.0461","","","0.0917","0.1117","","","","","","1.036","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505846","9.057","0.004","17.702","0.007","6.699","0.003","90","","90","","90","","1074","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mer-[N-(2-aminoethyl)-1,3-propanediamine]trichlorocobalt(III)","","- C5 H15 Cl3 Co N3 -","- C5 H15 Cl3 Co N3 -","- C20 H60 Cl12 Co4 N12 -","4","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.1232","0.069","","0.2305","","0.1916","","","1.068","","","1.15","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505847","9.1548","0.0011","12.731","0.002","13.7204","0.0011","90","","90","","90","","1599.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mer-[N-(2-aminoethyl)-1,3-propanediamine]triacetatocobalt(III)","","- C11 H24 Co N3 O6 -","- C11 H24 Co N3 O6 -","- C44 H96 Co4 N12 O24 -","4","1","","Chun, Hyungphil; Bernal, Ivan","Crystal Structures of Neutral Cobalt(III) Complexes: Common Hydrogen-Bonding Patterns Observed in Compounds of Different Molecular Structures","Crystal Growth & Design","2001","1","2","143","","10.1021/cg000003n","","","0.71073","MoKα","","0.0475","0.0302","","0.0839","","0.0786","","","1.005","","","1.07","","","","has coordinates","179594","2020-10-21","18:00:00",""
"4505850","10.4405","0.0011","10.3493","0.0008","12.3209","0.0012","90","","90","","90","","1331.3","0.2","248","2","248","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 S -","- C14 H16 O3 S -","- C56 H64 O12 S4 -","4","1","","Ahn, Shinbyoung; Kariuki, Benson M.; Harris, Kenneth D. M.","Polymorphs of a 1:1 Cocrystal with Tunnel and Layer Structures: p,p‘-Biphenol/Dimethyl Sulfoxide","Crystal Growth & Design","2001","1","2","107","","10.1021/cg000010b","","","0.71069","MoKα","","0.0446","0.0412","","0.096","0.0945","","","","1.113","1.115","1.115","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505888","7.9754","0.0001","8.9243","0.0002","27.785","0.0004","90","","90","","90","","1977.59","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C84 H92 N12 O12 -","4","1","","Yan, Yan; Chen, Jia-Mei; Geng, Na; Lu, Tong-Bu","Improving the Solubility of Agomelatine via Cocrystals","Crystal Growth & Design","2012","12","5","2226","","10.1021/cg201423q","","","1.54178","CuKα","","0.056","0.045","","","0.1144","0.1427","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505891","10.5732","0.0011","13.739","0.002","16.5878","0.0018","90","","90","","90","","2409.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N3 S -","- C10 H17 N3 S -","- C80 H136 N24 S8 -","8","2","","Laus, Gerhard; Bentivoglio, Gino; Kahlenberg, Volker; Wurst, Klaus; Nauer, Gerhard; Schottenberger, Herwig; Tanaka, Masato; Siehl, Hans-Ullrich","Conformational Flexibility and Cation‒Anion Interactions in 1-Butyl-2,3-dimethylimidazolium Salts","Crystal Growth & Design","2012","12","4","1838","","10.1021/cg201424m","","","0.71069","MoKα","","0.1044","0.0671","","","0.1241","0.1368","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4505901","5.9953","0.0005","7.2024","0.0006","44.908","0.004","90","","90","","90","","1939.2","0.3","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O2 -","- C24 H23 N O2 -","- C96 H92 N4 O8 -","4","1","","Nishiguchi, Noriaki; Kinuta, Takafumi; Sato, Tomohiro; Nakano, Yoko; Harada, Takunori; Tajima, Nobuo; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Novel Means of Controlling the Solid-State Circular Dichroism Property in a Supramolecular Organic Fluorophore Comprising 4-[2-(Methylphenyl)ethynyl]benzoic Acid by Varying the Position of the Methyl Substituent","Crystal Growth & Design","2012","12","4","1859","","10.1021/cg201496j","","","0.71073","MoKα","","0.0441","0.0418","","","0.098","0.0991","","","","","","1.116","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505965","7.929","0.003","8.168","0.003","28.381","0.015","90","","90","","90","","1838.1","1.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cl2 N3 O2 -","- C18 H21 Cl2 N3 O2 -","- C72 H84 Cl8 N12 O8 -","4","1","","Sanphui, Palash; Bolla, Geetha; Nangia, Ashwini","High Solubility Piperazine Salts of the Nonsteroidal Anti-Inflammatory Drug (NSAID) Meclofenamic Acid","Crystal Growth & Design","2012","12","4","2023","","10.1021/cg300002p","","","0.71073","MoKα","","0.1536","0.0597","","","0.0543","0.0663","","","","","","0.865","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505973","6.6833","0.0015","8.6783","0.0019","17.82","0.004","90","","90","","90","","1033.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Mn N3 O5 -","- C10 H7 Mn N3 O5 -","- C40 H28 Mn4 N12 O20 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0938","0.0516","","","0.0756","0.0923","","","","","","0.982","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505974","6.69","0.003","8.682","0.004","17.825","0.008","90","","90","","90","","1035.3","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Mn N3 O5 -","- C10 H7 Mn N3 O5 -","- C40 H28 Mn4 N12 O20 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0919","0.0511","","","0.0668","0.0788","","","","","","1.008","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505976","6.7642","0.001","9.543","0.0014","16.524","0.002","90","","90","","90","","1066.6","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Ca N3 O5 -","- C10 H7 Ca N3 O5 -","- C40 H28 Ca4 N12 O20 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0377","0.0336","","","0.0787","0.0813","","","","","","1.048","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4505977","6.7491","0.0014","9.538","0.0019","16.526","0.003","90","","90","","90","","1063.8","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Ca N3 O5 -","- C10 H7 Ca N3 O5 -","- C40 H28 Ca4 N12 O20 -","4","1","","Cai, Song-Liang; Zheng, Sheng-Run; Wen, Zhen-Zhen; Fan, Jun; Zhang, Wei-Guang","Assembly of Chiral/Achiral Coordination Polymers Based on 2-(Pyridine-3-yl)-1H-4,5-imidazoledicarboxylic Acid: Chirality Transfer between Chiral Two-Dimensional Networks Containing Helical Chains","Crystal Growth & Design","2012","12","5","2355","","10.1021/cg3000203","","","0.71073","MoKα","","0.0285","0.0264","","","0.0653","0.0666","","","","","","1.048","","","","has coordinates","179595","2020-10-21","18:00:00",""
"4506020","6.211","0.001","6.9005","0.0009","18.285","0.003","90","","90","","90","","783.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 Ca N O5 -","- C7 H5 Ca N O5 -","- C28 H20 Ca4 N4 O20 -","4","1","","Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Effect of Ligand Structural Isomerism in Formation of Calcium Coordination Networks","Crystal Growth & Design","2012","12","5","2460","","10.1021/cg300093h","","","0.71073","","","0.0689","0.0365","","","0.0514","0.0556","","","","","","0.81","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506059","10.6054","0.0002","11.3456","0.0002","52.5014","0.0005","90","","90","","90","","6317.21","0.17","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glycyrrhizic acid 4.26 propionic acid 3.94 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic acid water/propionic acid solvate","","- C54.78 H95.44 O28.1 -","- C54.577 H89.842 O28.106 -","- C218.308 H359.368 O112.424 -","4","1","","Tykarska, Ewa; Sobiak, Stanisław; Gdaniec, Maria","Supramolecular Organization of Neutral and Ionic Forms of Pharmaceutically Relevant Glycyrrhizic Acid—Amphiphile Self-Assembly and Inclusion of Small Drug Molecules","Crystal Growth & Design","2012","12","4","2133","","10.1021/cg300160c","","","1.54184","CuKα","","0.0721","0.0716","","","0.1984","0.199","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506060","10.3718","0.0002","11.2995","0.0002","50.3536","0.0006","90","","90","","90","","5901.25","0.17","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monoammonium beta-glycyrrhizate 3.53 methanol 1.82 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt water/methanol solvate","","- C48.25 H94.09 N O24.3 -","- C48.253 H90.012 N O24.294 -","- C193.012 H360.048 N4 O97.176 -","4","1","","Tykarska, Ewa; Sobiak, Stanisław; Gdaniec, Maria","Supramolecular Organization of Neutral and Ionic Forms of Pharmaceutically Relevant Glycyrrhizic Acid—Amphiphile Self-Assembly and Inclusion of Small Drug Molecules","Crystal Growth & Design","2012","12","4","2133","","10.1021/cg300160c","","","1.54184","CuKα","","0.0656","0.0654","","","0.1855","0.186","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4506061","10.4464","0.0002","11.2468","0.0002","51.0762","0.0005","90","","90","","90","","6000.87","0.17","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monoammonium beta-glycyrrhizate complex with p-aminobenzoic acid 3.53 methanol 1.82 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt complex with p-aminobenzoic acid water/methanol solvate","","- C52.53 H89.76 N2 O23.35 -","- C52.524 H87.222 N2 O23.35 -","- C210.096 H348.888 N8 O93.4 -","4","1","","Tykarska, Ewa; Sobiak, Stanisław; Gdaniec, Maria","Supramolecular Organization of Neutral and Ionic Forms of Pharmaceutically Relevant Glycyrrhizic Acid—Amphiphile Self-Assembly and Inclusion of Small Drug Molecules","Crystal Growth & Design","2012","12","4","2133","","10.1021/cg300160c","","","1.54184","CuKα","","0.0712","0.0701","","","0.1905","0.1913","","","","","","1.103","","","","has coordinates,has disorder","179596","2020-10-21","18:00:00",""
"4506062","10.2608","0.0004","10.7516","0.0004","16.5684","0.0006","90","","90","","90","","1827.83","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H10 O23 S4 Y4 -","- O23 S4 Y4 -","- O92 S16 Y16 -","4","1","","Wang, Wen-Hua; Tian, Han-Rui; Zhou, Zhi-Chao; Feng, Yun-Long; Cheng, Jian-Wen","Two Unusual Chiral Lanthanide‒Sulfate Frameworks with Helical Tubes and Channels Constructed from Interweaving Two Double-Helical Chains","Crystal Growth & Design","2012","12","5","2567","","10.1021/cg3001703","","","0.71073","MoKα","","0.0546","0.0468","","","0.1113","0.1152","","","","","","1.092","","","","has coordinates","179596","2020-10-21","18:00:00",""
"4506063","10.234","0.0001","10.7014","0.0002","16.5476","0.0003","90","","90","","90","","1812.26","0.05","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Er4 H10 O23 S4 -","- Er4 O23 S4 -","- Er16 O92 S16 -","4","1","","Wang, Wen-Hua; Tian, Han-Rui; Zhou, Zhi-Chao; Feng, Yun-Long; Cheng, Jian-Wen","Two Unusual Chiral Lanthanide‒Sulfate Frameworks with Helical Tubes and Channels Constructed from Interweaving Two Double-Helical Chains","Crystal Growth & Design","2012","12","5","2567","","10.1021/cg3001703","","","0.71073","MoKα","","0.0279","0.0275","","","0.0615","0.0616","","","","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4506117","8.8491","0.0005","9.8091","0.0005","23.6058","0.0013","90","","90","","90","","2049.02","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cl N4 Pd -","- C22 H23 Cl N4 Pd -","- C88 H92 Cl4 N16 Pd4 -","4","1","","Mastropietro, Teresa F.; Aprea, Alessia; La Deda, Massimo; Aiello, Iolinda; Ghedini, Mauro; Crispini, Alessandra","Role of Fluorine Interactions in the Solid State Structure and Photophysical Properties of 3,5-Disubstituted-2-(2′-pyridyl)pyrrole Pd(II) Complexes","Crystal Growth & Design","2012","12","5","2173","","10.1021/cg300369w","","","0.71073","MoKα","","0.0293","0.0238","","","0.0578","0.0607","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506135","9.7118","0.0014","14.9503","0.0019","25.8","0.003","90","","90","","90","","3746","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 I7 K N2 O6 -","- C20 H36 I7 K N2 O6 -","- C80 H144 I28 K4 N8 O24 -","4","1","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0809","0.075","","","0.1807","0.189","","","","","","1.1","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506136","9.7339","0.001","14.9557","0.0004","25.7708","0.0007","90","","90","","90","","3751.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 I7 N2 O6 Rb -","- C20 H36 I7 N2 O6 Rb -","- C80 H144 I28 N8 O24 Rb4 -","4","1","","Walsh, Rosa D.; Smith, Jessica M.; Hanks, Timothy W.; Pennington, William T.","Computational and Crystallographic Studies of Pseudo-Polyhalides","Crystal Growth & Design","2012","12","6","2759","","10.1021/cg201231t","","","0.71073","MoKα","","0.0932","0.0871","","","0.1582","0.1612","","","","","","1.173","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506150","8.8376","0.0002","12.9393","0.0003","14.6165","0.0003","90","","90","","90","","1671.43","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 F6 N3 O4 S2 -","- C10 H17 F6 N3 O4 S2 -","- C40 H68 F24 N12 O16 S8 -","4","1","","Lauw, Yansen; Rüther, Thomas; Horne, Michael D.; Wallwork, Kia S.; Skelton, Brian W.; Madsen, Ian C.; Rodopoulos, Theo","Structural Studies on the Basic Ionic Liquid 1-Ethyl-1,4-diazabicyclo[2.2.2]octanium Bis(trifluoromethylsulfonyl)imide and Its Bromide Precursor","Crystal Growth & Design","2012","12","6","2803","","10.1021/cg201592u","","","0.71073","MoKα","","0.0516","0.0317","","","0.0562","0.0598","","","","","","0.903","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506151","8.915","0.0003","12.9922","0.0005","14.7871","0.0004","90","","90","","90","","1712.72","0.1","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 F6 N3 O4 S2 -","- C10 H17 F6 N3 O4 S2 -","- C40 H68 F24 N12 O16 S8 -","4","1","","Lauw, Yansen; Rüther, Thomas; Horne, Michael D.; Wallwork, Kia S.; Skelton, Brian W.; Madsen, Ian C.; Rodopoulos, Theo","Structural Studies on the Basic Ionic Liquid 1-Ethyl-1,4-diazabicyclo[2.2.2]octanium Bis(trifluoromethylsulfonyl)imide and Its Bromide Precursor","Crystal Growth & Design","2012","12","6","2803","","10.1021/cg201592u","","","0.71073","MoKα","","0.081","0.0478","","","0.0914","0.0998","","","","","","0.935","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506152","8.9626","0.0002","13.0484","0.0003","14.9163","0.0003","90","","90","","90","","1744.43","0.07","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 F6 N3 O4 S2 -","- C10 H17 F6 N3 O4 S2 -","- C40 H68 F24 N12 O16 S8 -","4","1","","Lauw, Yansen; Rüther, Thomas; Horne, Michael D.; Wallwork, Kia S.; Skelton, Brian W.; Madsen, Ian C.; Rodopoulos, Theo","Structural Studies on the Basic Ionic Liquid 1-Ethyl-1,4-diazabicyclo[2.2.2]octanium Bis(trifluoromethylsulfonyl)imide and Its Bromide Precursor","Crystal Growth & Design","2012","12","6","2803","","10.1021/cg201592u","","","0.71073","MoKα","","0.1085","0.0605","","","0.1168","0.1342","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4506191","5.6947","0.001","8.1334","0.0013","25.063","0.005","90","","90","","90","","1160.8","0.4","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O S -","- C13 H12 O S -","- C52 H48 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Stokes, Stephen P.; O’Mahony, Graham E.; Hayes, John A.; Kelly, Dawn M.; O’Boyle, Noel M.; Fábián, László; Moynihan, Humphrey A.; Maguire, Anita R.; Lawrence, Simon E.","Utilizing Sulfoxide···Iodine Halogen Bonding for Cocrystallization","Crystal Growth & Design","2012","12","6","2969","","10.1021/cg300189v","","","0.71073","MoKα","","0.0542","0.0386","","","0.0952","0.1029","","","","","","1.064","","","","has coordinates","179597","2020-10-21","18:00:00",""
"4506222","4.7938","0.0005","6.2178","0.0005","26.844","0.003","90","","90","","90","","800.14","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4ASA_NH4_I","","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C28 H40 N8 O12 -","4","1","","André, Vânia; Duarte, M. Teresa; Braga, Dario; Grepioni, Fabrizia","Polymorphic Ammonium Salts of the Antibiotic 4-Aminosalicylic Acid","Crystal Growth & Design","2012","12","6","3082","","10.1021/cg300284z","","","0.71073","MoKα","","0.1569","0.0564","","","0.0441","0.0556","","","","","","0.906","","","","has coordinates","288537","2023-12-24","00:31:12",""
"4506223","4.805","0.0004","12.029","0.0007","14.523","0.0009","90","","90","","90","","839.42","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4ASA_NH4_II","","","- C7 H10 N2 O3 -","- C7 H10 N2 O3 -","- C28 H40 N8 O12 -","4","1","","André, Vânia; Duarte, M. Teresa; Braga, Dario; Grepioni, Fabrizia","Polymorphic Ammonium Salts of the Antibiotic 4-Aminosalicylic Acid","Crystal Growth & Design","2012","12","6","3082","","10.1021/cg300284z","","","0.71069","MoKα","","0.0543","0.034","","","0.0606","0.0646","","","","","","0.855","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506230","4.9035","0.0003","22.1468","0.0012","27.4868","0.0014","90","","90","","90","","2985","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 O4 S -","- C18 H12 O4 S -","- C144 H96 O32 S8 -","8","2","","Jali, Bigyan R.; Baruah, Jubaraj B.","Polymorphs and Solvates of 2-(1,4-Dihydro-1,4-dioxonaphthalen-3-ylthio)benzoic Acid","Crystal Growth & Design","2012","12","6","3114","","10.1021/cg300318u","","","0.71073","MoKα","","0.0375","0.0313","","","0.0722","0.0751","","","","","","1.051","","","","has coordinates","179598","2020-10-21","18:00:00",""
"4506300","7.7156","0.0005","11.2114","0.0006","18.5392","0.0012","90","","90","","90","","1603.69","0.17","95","2","95","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","HMX - 4-fluoroaniline","1,3,5,7-tetranitro-1,3,5,7-tetraza-cyclooctane - 4-fluoroaniline","","- C10 H14 F N9 O8 -","- C10 H14 F N9 O8 -","- C40 H56 F4 N36 O32 -","4","1","","Landenberger, Kira B.; Matzger, Adam J.","Cocrystals of 1,3,5,7-Tetranitro-1,3,5,7-tetrazacyclooctane (HMX)","Crystal Growth & Design","2012","12","7","3603","","10.1021/cg3004245","","","1.54187","CuKα","","0.0248","0.0237","","","0.0584","0.0588","","","","","","1.077","","","","has coordinates","179599","2020-10-21","18:00:00",""
"4506412","5.7838","0.0007","8.6133","0.0011","36.312","0.005","90","","90","","90","","1809","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Houton, Kelly A.; Morris, Kyle L.; Chen, Lin; Schmidtmann, Marc; Jones, James T. A.; Serpell, Louise C.; Lloyd, Gareth O.; Adams, Dave J.","On Crystal versus Fiber Formation in Dipeptide Hydrogelator Systems.","Langmuir : the ACS journal of surfaces and colloids","2012","28","25","9797","9806","10.1021/la301371q","","","0.71073","MoKα","","0.0309","0.029","","","0.0768","0.0784","","","","","","1.075","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506413","4.7658","0.0003","5.8982","0.0003","61.176","0.003","90","","90","","90","","1719.64","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","1","","Houton, Kelly A.; Morris, Kyle L.; Chen, Lin; Schmidtmann, Marc; Jones, James T. A.; Serpell, Louise C.; Lloyd, Gareth O.; Adams, Dave J.","On Crystal versus Fiber Formation in Dipeptide Hydrogelator Systems.","Langmuir : the ACS journal of surfaces and colloids","2012","28","25","9797","9806","10.1021/la301371q","","","0.71073","MoKα","","0.0732","0.0653","","","0.1677","0.1722","","","","","","1.12","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506415","4.968","0.0006","9.6339","0.0014","35.173","0.005","90","","90","","90","","1683.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C72 H80 N8 O20 -","4","1","","Houton, Kelly A.; Morris, Kyle L.; Chen, Lin; Schmidtmann, Marc; Jones, James T. A.; Serpell, Louise C.; Lloyd, Gareth O.; Adams, Dave J.","On Crystal versus Fiber Formation in Dipeptide Hydrogelator Systems.","Langmuir : the ACS journal of surfaces and colloids","2012","28","25","9797","9806","10.1021/la301371q","","","0.71073","MoKα","","0.0676","0.0436","","","0.0896","0.0987","","","","","","1.018","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506439","7.3326","0.0015","13.46","0.003","14.19","0.003","90","","90","","90","","1400.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Co N2 O7 -","- C12 H6 Co N2 O7 -","- C48 H24 Co4 N8 O28 -","4","1","","Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng","Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid","Crystal Growth & Design","2012","12","8","3917","","10.1021/cg300323u","","","0.71073","MoKα","","0.0328","0.032","","","0.0812","0.0815","","","","","","1.094","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506441","6.7519","0.0014","13.246","0.003","13.27","0.003","90","","90","","90","","1186.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Mn N2 O6 -","- C12 H6 Mn N2 O6 -","- C48 H24 Mn4 N8 O24 -","4","1","","Zuo, Ya; Fang, Ming; Xiong, Gang; Shi, Peng-Fei; Zhao, Bin; Cui, Jian-Zhong; Cheng, Peng","Structural Diversity, Luminescence, and Magnetic Property: Series of Coordination Polymers with 2,2′-Bipyridyl-4,4′-Dicarboxylic Acid","Crystal Growth & Design","2012","12","8","3917","","10.1021/cg300323u","","","0.71073","MoKα","","0.0813","0.065","","","0.1599","0.1741","","","","","","1.056","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506452","8.9512","0.0002","12.9606","0.0004","14.406","0.0003","90","","90","","90","","1671.28","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Ca2 N2 O11 -","- C14 H12 Ca2 N2 O11 -","- C56 H48 Ca8 N8 O44 -","4","1","","Vakiti, Raj Kishore; Garabato, Brady D.; Schieber, Natalie P.; Rucks, Melinda J.; Cao, Yan; Webb, Cathleen; Maddox, Jeremy B.; Celestian, Aaron; Pan, Wei-Ping; Yan, Bangbo","Synthesis and Characterization of Two- and Three-Dimensional Calcium Coordination Polymers Built with Benzene-1,3,5-tricarboxylate and/or Pyrazine-2-carboxylate","Crystal Growth & Design","2012","12","8","3937","","10.1021/cg3003349","","","0.71073","MoKα","","0.0498","0.0328","","","0.0606","0.0648","","","","","","0.93","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506467","6.9396","0.0007","7.3769","0.0007","21.345","0.002","90","","90","","90","","1092.71","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Cd2 Cl3 N5 -","- C6 H4 Cd2 Cl3 N5 -","- C24 H16 Cd8 Cl12 N20 -","4","1","","Chang, Che-Chi; Huang, Yun-Chieh; Huang, Sheng-Ming; Wu, Jing-Yun; Liu, Yen-Hsiang; Lu, Kuang-Lieh","Presynthesized and In-Situ Generated Tetrazolate Ligand in the Design of Chiral Cadmium Coordination Polymer","Crystal Growth & Design","2012","12","8","3825","","10.1021/cg300405j","","x-ray","0.71073","MoKα","","0.0133","0.0128","","","0.0247","0.025","","","","","","1.04","","","","has coordinates","179600","2020-10-21","18:00:00",""
"4506515","7.5799","0.0015","9.4213","0.0019","21.537","0.004","90","","90","","90","","1538","0.5","183","2","183","2","","","","","","","Synthesised by authors, see manuscript","5","P 21 21 21","P 2ac 2ab","19","aquabis(L-isoleucinato)copper(II)","cis aquabis(L-isoleucinato-N,O)copper(II)","","- C12 H26 Cu N2 O5 -","- C12 H26 Cu N2 O5 -","- C48 H104 Cu4 N8 O20 -","4","1","","Marković, Marijana; Milić, Dalibor; Sabolović, Jasmina","Modeling Triple Conformational Disorder in a New Crystal Polymorph ofcis-Aquabis(l-isoleucinato)copper(II)","Crystal Growth & Design","2012","12","8","4116","","10.1021/cg300636w","","","0.71073","MoKα","","0.0301","0.0221","","","0.0529","0.0541","","","","","","0.997","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506577","6.1622","0.0006","8.8128","0.0009","29.313","0.003","90","","90","","90","","1591.9","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Xue, Wei-Jian; Li, Qi; Gao, Fang-Fang; Zhu, Yan-Ping; Wang, Jun-Gang; Zhang, Wei; Wu, An-Xin","Diversity-Oriented Synthesis of Chromenes via Metal-Free Domino Reactions from Ketones and Phenols.","ACS combinatorial science","2012","14","8","478","483","10.1021/co3000506","","","0.71073","MoKα","","0.0606","0.0534","","","0.1252","0.1292","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506583","8.52","0.0002","8.5557","0.0002","33.4637","0.0008","90","","90","","90","","2439.32","0.1","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N O4 S Si -","- C23 H32 F3 N O4 S Si -","- C92 H128 F12 N4 O16 S4 Si4 -","4","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","0.71073","MoKα","","0.0221","0.0214","","","0.0578","0.0583","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506584","12.6433","0.0004","13.8501","0.0004","14.684","0.0005","90","","90","","90","","2571.33","0.14","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N O3 Si -","- C27 H39 N O3 Si -","- C108 H156 N4 O12 Si4 -","4","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","1.54178","CuKα","","0.0244","0.0244","","","0.0657","0.0657","","","","","","1.034","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506585","7.5343","0.0003","8.5707","0.0004","25.2748","0.0011","90","","90","","90","","1632.1","0.12","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl N O Si -","- C16 H20 Cl N O Si -","- C64 H80 Cl4 N4 O4 Si4 -","4","1","","Min, Taewoo; Fettinger, James C.; Franz, Annaliese K.","Enantiocontrol with a Hydrogen-bond Directing Pyrrolidinylsilanol Catalyst","ACS Catalysis","2012","2","8","1661","","10.1021/cs300290j","","","0.71073","MoKα","","0.0245","0.0224","","","0.0582","0.0603","","","","","","1.07","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4506589","7.313","0.0002","8.8103","0.0003","42.6642","0.0012","90","","90","","90","","2748.84","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H50 O12 -","- C25 H49.96 O11.99 -","- C100 H199.84 O47.96 -","4","1","","Tao, Houchao; Fu, Yu; Thompson, Aaron; Lee, Sung Chang; Mahoney, Nicholas; Stevens, Raymond C.; Zhang, Qinghai","Synthesis and properties of dodecyl trehaloside detergents for membrane protein studies.","Langmuir : the ACS journal of surfaces and colloids","2012","28","30","11173","11181","10.1021/la3020404","","","1.54184","CuKα","","0.044","0.0438","","","0.1236","0.1239","","","","","","1.047","","","","has coordinates,has disorder","179601","2020-10-21","18:00:00",""
"4506609","5.9537","0.0003","8.3967","0.0005","22.3706","0.0011","90","","90","","90","","1118.34","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ethanolammonium 3-chloromandelate","","","- C10 H14 Cl N O4 -","- C10 H14 Cl N O4 -","- C40 H56 Cl4 N4 O16 -","4","1","","Taratin, N. V.; Lorenz, H.; Kotelnikova, E. N.; Glikin, A. E.; Galland, A.; Dupray, V.; Coquerel, G.; Seidel-Morgenstern, A.","Mixed Crystals in Chiral Organic Systems: A Case Study on (R)- and (S)-Ethanolammonium 3-Chloromandelate","Crystal Growth & Design","2012","12","12","5882","","10.1021/cg3003405","","","0.71073","MoKα","","0.044","0.0378","","","0.0922","0.0948","","","","","","1.031","","","","has coordinates","179602","2020-10-21","18:00:00",""
"4506780","7.123","0.003","13.896","0.005","15.893","0.006","90","","90","","90","","1573.1","1.1","296","2","296","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Cd Cl N2 O3 -","- C12 H17 Cd Cl N2 O3 -","- C48 H68 Cd4 Cl4 N8 O12 -","4","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.0475","0.0434","","","0.1059","0.1079","","","","","","1.033","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506781","7.2398","0.0006","13.7041","0.0011","16.5286","0.0013","90","","90","","90","","1639.9","0.2","296","2","296","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Br Cd N2 O2 -","- C12 H17 Br Cd N2 O2 -","- C48 H68 Br4 Cd4 N8 O8 -","4","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.0461","0.0421","","","0.13","0.1342","","","","","","1.066","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506782","5.8751","0.0017","15.067","0.004","16.416","0.005","90","","90","","90","","1453.1","0.7","296","2","296","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Cd Cl N2 O4 -","- C9 H11 Cd Cl N2 O4 -","- C36 H44 Cd4 Cl4 N8 O16 -","4","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks","Crystal Growth & Design","2012","12","9","4633","","10.1021/cg3008443","","","0.71073","MoKα","","0.0341","0.0336","","","0.0952","0.0956","","","","","","1.097","","","","has coordinates","179603","2020-10-21","18:00:00",""
"4506812","7.9735","0.0011","8.0661","0.0011","25.497","0.003","90","","90","","90","","1639.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O5 -","- C18 H18 N2 O5 -","- C72 H72 N8 O20 -","4","1","","Gangavaram, Swarupa; Raghavender, S.; Sanphui, Palash; Pal, Sharmistha; Manjunatha, Sulur G.; Nambiar, Sudhir; Nangia, Ashwini","Polymorphs and Cocrystals of Nalidixic Acid","Crystal Growth & Design","2012","12","10","4963","","10.1021/cg300895c","","","0.71073","MoKα","","0.074","0.0522","","","0.0961","0.1047","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4506833","10.9574","0.0011","21.61","0.002","24.121","0.003","90","","90","","90","","5711.6","1.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H37 Gd3 N13 O21 -","- C60 H36 Gd3 N13 O21 -","- C240 H144 Gd12 N52 O84 -","4","1","","Ma, Xue; Li, Xia; Cha, Yu-E; Jin, Lin-Pei","Highly Thermostable One-Dimensional Lanthanide(III) Coordination Polymers Constructed from Benzimidazole-5,6-dicarboxylic Acid and 1,10-Phenanthroline: Synthesis, Structure, and Tunable White-Light Emission","Crystal Growth & Design","2012","12","11","5227","","10.1021/cg300932a","","","0.71073","MoKα","","0.1142","0.0842","","","0.2012","0.2265","","","","","","1.009","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506834","10.9521","0.0009","21.753","0.002","24.219","0.002","90","","90","","90","","5770","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H36 Eu3 N13 O21 -","- C60 H36 Eu3 N13 O21 -","- C240 H144 Eu12 N52 O84 -","4","1","","Ma, Xue; Li, Xia; Cha, Yu-E; Jin, Lin-Pei","Highly Thermostable One-Dimensional Lanthanide(III) Coordination Polymers Constructed from Benzimidazole-5,6-dicarboxylic Acid and 1,10-Phenanthroline: Synthesis, Structure, and Tunable White-Light Emission","Crystal Growth & Design","2012","12","11","5227","","10.1021/cg300932a","","","0.71073","MoKα","","0.1227","0.0858","","","0.1986","0.2255","","","","","","1.022","","","","has coordinates,has disorder","179604","2020-10-21","18:00:00",""
"4506835","11.0029","0.0011","21.665","0.002","24.201","0.002","90","","90","","90","","5769","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H36 N13 O21 Tb3 -","- C60 H36 N13 O21 Tb3 -","- C240 H144 N52 O84 Tb12 -","4","1","","Ma, Xue; Li, Xia; Cha, Yu-E; Jin, Lin-Pei","Highly Thermostable One-Dimensional Lanthanide(III) Coordination Polymers Constructed from Benzimidazole-5,6-dicarboxylic Acid and 1,10-Phenanthroline: Synthesis, Structure, and Tunable White-Light Emission","Crystal Growth & Design","2012","12","11","5227","","10.1021/cg300932a","","","0.71073","MoKα","","0.0781","0.0566","","","0.1306","0.1503","","","","","","1.097","","","","has coordinates","179604","2020-10-21","18:00:00",""
"4506907","10.856","0.002","11.111","0.002","17.56","0.004","90","","90","","90","","2118.1","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(5-(anthracen-10-yl)-3-(4-methoxyphenyl)- 4,5-dihydropyrazol-1-yl) ethanone","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C104 H88 N8 O8 -","4","1","","Dong, Baoli; Wang, Mingliang; Xu, Chunxiang; Feng, Qi; Wang, Yan","Tuning Solid-State Fluorescence of a Twisted π-Conjugated Molecule by Regulating the Arrangement of Anthracene Fluorophores","Crystal Growth & Design","2012","12","12","5986","","10.1021/cg301055j","","","0.71073","MoKα","","0.0768","0.0528","","","0.1111","0.122","","","","","","1.055","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506951","10.477","0.003","18.005","0.005","22.648","0.006","90","","90","","90","","4272","2","100","2","100","2","","","101.325","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","Cyclic peptide","Tyrosine tricyclic Thz peptide","","- C46 H44 N6 O6 S3 -","- C46 H44 N6 O6 S3 -","- C184 H176 N24 O24 S12 -","4","1","","Mali, Sachitanand M.; Schneider, Tobias F.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Werz, Daniel B.; Gopi, Hosahudya N.","Thiazole‒Carbonyl Interactions: A Case Study Using Phenylalanine Thiazole Cyclic Tripeptides","Crystal Growth & Design","2012","12","11","5643","","10.1021/cg301147s","","x-ray","0.71073","MoKα","","0.0375","0.033","","","0.0876","0.091","","","","","","1.07","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506963","5.837","0.003","14.312","0.006","22.631","0.01","90","","90","","90","","1890.6","1.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.1088","0.0604","","","0.13","0.1553","","","","","","0.948","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506964","15.381","0.0008","16.9537","0.0008","27.1224","0.0013","90","","90","","90","","7072.6","0.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C312 H384 N24 O24 -","12","3","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.0766","0.0447","","","0.0941","0.1063","","","","","","1.013","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4506967","8.854","0.002","9.526","0.002","35.751","0.008","90","","90","","90","","3015.4","1.1","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 N2 O3 -","- C33 H40 N2 O3 -","- C132 H160 N8 O12 -","4","1","","Megumi, Ken; Nadiah Binti Mohd Arif, Fara; Matsumoto, Shoji; Akazome, Motohiro","Design and Evaluation of Salts betweenN-Trityl Amino Acid andtert-Butylamine as Inclusion Crystals of Alcohols","Crystal Growth & Design","2012","12","11","5680","","10.1021/cg301172g","","","0.71073","MoKα","","0.1937","0.0584","","","0.1074","0.1678","","","","","","0.929","","","","has coordinates","179605","2020-10-21","18:00:00",""
"4507039","7.1776","0.0005","12.0045","0.0008","14.1926","0.0007","90","","90","","90","","1222.88","0.13","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-methylpyridinium 2,5-dihydroxybenzoate","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0476","0.0353","","","0.0823","0.0851","","","","","","0.928","","","","has coordinates","179606","2020-10-21","18:00:00",""
"4507052","7.0712","0.0007","12.6897","0.0011","14.1999","0.0009","90","","90","","90","","1274.18","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","nicotinamide - 2,5-dihydroxybenzoic acid","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C52 H48 N8 O20 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Salts and Co-Crystals of Gentisic Acid with Pyridine Derivatives: The Effect of Proton Transfer on the Crystal Packing (and Vice Versa)","Crystal Growth & Design","2012","12","11","5763","","10.1021/cg301267h","","","0.71073","MoKα","","0.0441","0.0317","","","0.0702","0.0725","","","","","","0.885","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507110","6.4192","0.0007","8.0239","0.0008","28.206","0.003","90","","90","","90","","1452.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","EH-4-45-3 3,5-Me2-4-Br-pyrazole, 3,5-(NO2)2-PhCOOH","","- C12 H11 Br N4 O6 -","- C12 H11 Br N4 O6 -","- C48 H44 Br4 N16 O24 -","4","1","","Aakeröy, Christer B.; Hurley, Evan P.; Desper, John","Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform","Crystal Growth & Design","2012","12","11","5806","","10.1021/cg301391s","","","0.71073","MoKα","","0.0835","0.0484","","","0.096","0.1088","","","","","","1.08","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507134","5.6996","0.0006","12.8774","0.0013","18.4471","0.0018","90","","90","","90","","1353.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br N O3 -","- C14 H16 Br N O3 -","- C56 H64 Br4 N4 O12 -","4","1","","Gerard, Baudouin; O'Shea, Morgan Welzel; Donckele, Etienne; Kesavan, Sarathy; Akella, Lakshmi B.; Xu, Hao; Jacobsen, Eric N.; Marcaurelle, Lisa A.","Application of a catalytic asymmetric Povarov reaction using chiral ureas to the synthesis of a tetrahydroquinoline library.","ACS combinatorial science","2012","14","11","621","630","10.1021/co300098v","","","0.71073","MoKα","","0.027","0.0236","","","0.0587","0.06","","","","","","1.068","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507178","7.7839","0.0003","8.7456","0.0003","11.0365","0.0004","90","","90","","90","","751.31","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Lithium D-isoascorbate","","- C6 H9 Li O7 -","- C6 H9 Li O7 -","- C24 H36 Li4 O28 -","4","1","","Rao, K. Raghavendra; Aneesh, C.; Bhat, H. L.; Elizabeth, Suja; Pavan, M. S.; Guru Row, Tayur N.","Lithiumd-Isoascorbate Monohydrate, a New Nonlinear Optical Material","Crystal Growth & Design","2013","13","1","97","","10.1021/cg301214n","","","0.71073","MoKα","","0.0297","0.0275","","","0.0661","0.0675","","","","","","1.04","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507183","12.14","0.003","14.708","0.003","38.52","0.004","90","","90","","90","","6878","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(3,5-dinitrobenzoyl)-L-alaninate 3.58-hydrate","","","- C33 H42.16 N5 O14.58 -","- C33 H42.186 N5 O14.593 -","- C264 H337.488 N40 O116.744 -","8","2","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.0629","0.0372","","","0.0699","0.0752","","","","","","0.886","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507186","12.212","0.003","14.727","0.003","38.569","0.005","90","","90","","90","","6936","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3,5-dinitrobenzoyl)-L-serinate 3.88-hydrate","","- C33 H42.77 N5 O15.89 -","- C33 H42.7655 N5 O15.8825 -","- C264 H342.124 N40 O127.06 -","8","2","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","1.54175","CuKα","","0.1533","0.0724","","","0.1554","0.1938","","","","","","0.807","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507210","6.189","0.0012","14.891","0.003","23.594","0.005","90","","90","","90","","2174.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-hydroxyethylammonium 4-metoxybenzoate","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C80 H120 N8 O32 -","8","2","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0665","0.0474","","","0.1272","0.1355","","","","","","1.006","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507419","9.2552","0.0008","10.3088","0.0009","20.2933","0.0019","90","","90","","90","","1936.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 5c","anti-12-Hydroxy-4-tert-butyl-6-methyl-10,11-benzo-5,16-dioxa-3,9- diazatetracyclo[11.2.1.0^1,9^.0^3,7^]hexadeca-10,14-diene-2,8-dione","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0568","0.0506","","","0.1435","0.1509","","","","","","1.039","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507420","7.4316","0.0003","22.6244","0.0009","10.7533","0.0004","90","","90","","90","","1808.01","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 5d","anti-12-Hydroxy-4-phenyl-10,11-benzo-5,16-dioxa-3,9- diazatetracyclo[11.2.1.0^1,9^.0^3,7^]hexadeca-10,14-diene-2,8-dione","","- C22 H19 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.1223","0.1096","","","0.1631","0.1692","","","","","","1.226","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507421","7.9958","0.0002","10.2771","0.0002","22.7057","0.0005","90","","90","","90","","1865.81","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 5e","anti-12-Hydroxy-4-tert-butyl-10,11-benzo-16-oxa-5-thia-3,9- diazatetracyclo[11.2.1.0^1,9^.0^3,7^]hexadeca-10,14-diene-2,8-dione","","- C20 H23 N2 O4 S -","- C20 H22 N2 O4 S -","- C80 H88 N8 O16 S4 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0281","0.0277","","","0.082","0.0834","","","","","","0.618","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507423","7.2733","0.0002","11.3442","0.0004","22.914","0.0007","90","","90","","90","","1890.63","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 7d","syn-4-Hydroxy-12-phenyl-2,3-benzo-8,13-dioxa-1,11-diazatetracyclo [7.7.01,9.0^5,9^.0^11,15^]hexadeca-2,6-diene-10,16-dione","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0637","0.0449","","","0.1073","0.1173","","","","","","1.03","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507424","8.9205","0.0002","12.2652","0.0003","15.6666","0.0004","90","","90","","90","","1714.11","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 8b","anti-1-Hydroxy-5,10-dioxa-8,14-diaza-11-methyl- hexacyclo[13.6.1.0^2,6^.0^6,14^.0^8,12^.0^19,22^]doeicos- 3,15,17,19(22)-tetraene-7,13-dione","","- C19 H17 N2 O5 -","- C19 H18 N2 O5 -","- C76 H72 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.045","0.0449","","","0.184","0.1846","","","","","","0.885","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507425","8.4613","0.0001","11.7986","0.0002","17.321","0.0003","90","","90","","90","","1729.18","0.05","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 10b","syn-1-Hydroxy-10-methyl-9,23-dioxa-7,13-diazahexacyclo [12.7.1.1.0^5,13^.0^7,11^.0^18,22^]trieicos-3,14,16,18(22)-tetraene-6,12-dione","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0268","0.0264","","","0.0746","0.0754","","","","","","0.933","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507427","8.8621","0.0004","9.5987","0.0004","20.0726","0.0008","90","","90","","90","","1707.47","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","syn-1-Hydroxy-9-thia-23-oxa-7,13-diaza- hexacyclo[12.7.1.12,5.05,13.07,11.018,22]trieicos- 3,14,16,18(22)-tetraene-6,12-dione","compound 10f","","- C19 H18 N2 O4 S -","- C18.993 H18 N2 O4 S -","- C75.972 H72 N8 O16 S4 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0312","0.0307","","","0.0814","0.0825","","","","","","1.014","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507473","16.951","0.003","17.985","0.004","21.263","0.004","90","","90","","90","","6482","2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Iridium 7","Iridium (4-trifluoromethylphenylbenzothiazole)2 (pyridine carboxylic acid)","","- C34 H18 F6 Ir N3 O2.88 S2 -","- C34 H18 F6 Ir N3 O2.875 S2 -","- C272 H144 F48 Ir8 N24 O23 S16 -","8","2","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0329","0.0273","","","0.0555","0.0583","","","","","","1.048","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507481","6.8664","0.0003","20.9003","0.0011","22.0448","0.0008","90","","90","","90","","3163.6","0.2","150.1","","150.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0991","0.0626","","","0.1001","0.1145","","","","","","1.027","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507483","6.9652","0.0003","10.9689","0.0003","31.2143","0.0011","90","","90","","90","","2384.79","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O4 S2 -","- C24 H36 O4 S2 -","- C96 H144 O16 S8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0476","0.0432","","","0.0924","0.0981","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507521","13.57","0.003","19.8","0.004","28.39","0.006","90","","90","","90","","7628","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H10 O32 S5 Zr6 -","- C30 H10 O32 S5 Zr6 -","- C120 H40 O128 S20 Zr24 -","4","1","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.1037","0.0888","","","0.2562","0.2771","","","","","","1.072","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507522","13.53","0.003","19.71","0.004","28.3","0.006","90","","90","","90","","7547","3","293","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H10 Hf6 O32 S5 -","- C30 H10 Hf6 O32 S5 -","- C120 H40 Hf24 O128 S20 -","4","1","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0524","0.0509","","","0.1507","0.1517","","","","","","1.105","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507525","10.283","0.003","13.703","0.003","16.698","0.004","90","","90","","90","","2352.9","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 In N4 O S2 -","- C24 H19 In N4 O S2 -","- C96 H76 In4 N16 O4 S8 -","4","1","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.0615","0.0447","","","0.0795","0.0826","","","","","","1.002","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507540","9.7355","0.001","10.0002","0.001","26.295","0.003","90","","90","","90","","2560","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cd Cl2 N3 O13.5 -","- C17 H15 Cd Cl2 N3 O13.5 -","- C68 H60 Cd4 Cl8 N12 O54 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0783","0.0559","","","0.1394","0.1561","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507548","10.6684","0.0002","11.1245","0.0001","51.3881","0.0007","90","","90","","90","","6098.77","0.15","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monoammonium glicyrrhizinate 4.0 propionic acid 3.0 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt water/propionic acid solvate","","- C54 H95 N O27 -","- C54 H95 N O27 -","- C216 H380 N4 O108 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0552","0.0548","","","0.1577","0.1583","","","","","","1.062","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507549","10.1563","0.0003","11.1999","0.0005","53.615","0.0015","90","","90","","90","","6098.7","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monopotassium glicyrrhizinate 5.66 acetic acid 2.02 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monopotassium salt water/acetic acid solvate","","- C53.27 H87.73 K O29.36 -","- C53.274 H85.548 K O29.363 -","- C213.096 H342.192 K4 O117.452 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0562","0.0556","","","0.1548","0.1557","","","","","","1.059","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507550","10.673","0.0002","11.1804","0.0002","51.5673","0.0012","90","","90","","90","","6153.4","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monocaesium glicyrrhizinate 3.79 propionic acid 3.21 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monocaesium salt water/acetic acid solvate","","- C53.38 H90.16 Cs O26.79 -","- C53.379 H89.758 Cs O26.793 -","- C213.516 H359.032 Cs4 O107.172 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.044","0.0432","","","0.118","0.1188","","","","","","1.114","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507551","9.855","0.0004","11.2823","0.0003","52.659","0.003","90","","90","","90","","5855","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diammonium glicyrrhizinate 3.0 DMF 2.0 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic diammonium salt water/DMF solvate","","- C51 H93 N5 O21 -","- C51 H92.68 N5 O21 -","- C204 H370.72 N20 O84 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0607","0.0595","","","0.1727","0.1743","","","","","","1.056","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507552","9.8405","0.0001","11.252","0.0001","52.2345","0.0002","90","","90","","90","","5783.68","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dipotassium glicyrrhizinate 3.0 DMF 2.0 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic dipotassium salt water/DMF solvate","","- C51 H85 K2 N3 O21 -","- C51 H84.618 K2 N3 O21 -","- C204 H338.472 K8 N12 O84 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0508","0.0503","","","0.1428","0.1434","","","","","","1.092","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507553","10.2854","0.0001","11.4845","0.0001","51.8388","0.0006","90","","90","","90","","6123.34","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dicaesium glicyrrhizinate 3.00 DMF 3.40 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic dicaesium salt water/DMF solvate","","- C51 H87.8 Cs2 N3 O22.4 -","- C51 H83 Cs2 N3 O22.421 -","- C204 H332 Cs8 N12 O89.684 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.049","0.0481","","","0.1329","0.134","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507707","14.459","0.0015","20.243","0.001","21.109","0.002","90","","90","","90","","6178.5","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H19 N3 O17 Y2 -","- C33 H15 N3 O17 Y2 -","- C132 H60 N12 O68 Y8 -","4","1","","Tang, Kuanzhen; Yun, Ruirui; Lu, Zhiyong; Du, Liting; Zhang, Mingxing; Wang, Qian; Liu, Huiyan","High CO2/N2Selectivity and H2Adsorption of a Novel Porous Yttrium Metal‒Organic Framework Based onN,N′,N″-Tris(isophthalyl)-1,3,5-benzenetricarboxamide","Crystal Growth & Design","2013","13","4","1382","","10.1021/cg400096e","","","0.71073","MoKα","","0.1096","0.0927","","","0.228","0.2422","","","","","","0.778","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507740","9.3953","0.0001","7.3422","0.0001","13.9495","0.0002","90","","90","","90","","962.27","0.02","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Co N O7 -","- C7 H9 Co N O7 -","- C28 H36 Co4 N4 O28 -","4","1","","Saha, Rajat; Dey, Sanjoy Kumar; Biswas, Susobhan; Jana, Atish Dipankar; Kumar, Sanjay","Transformation of a Mother Crystal to a Daughter Crystal through Amorphous Phase: De-assembly of Coordination Helices upon Heating and Re-assembly through Aquation","Crystal Growth & Design","2013","13","5","2135","","10.1021/cg400224a","","","0.71073","MoKα","","0.0287","0.0273","","","0.0704","0.0722","","","","","","1.077","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507768","6.0338","0.0007","7.3229","0.0008","32.512","0.004","90","","90","","90","","1436.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F3 N2 O7 -","- C11 H13 F3 N2 O7 -","- C44 H52 F12 N8 O28 -","4","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","0.71073","MoKα","","0.0459","0.0367","","","0.0898","0.0943","","","","","","1.031","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507771","6.4729","0.0013","7.3947","0.0015","21.763","0.004","90","","90","","90","","1041.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 F3 N O3 -","- C8 H12 F3 N O3 -","- C32 H48 F12 N4 O12 -","4","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","1.54178","CuKα","","0.073","0.0699","","","0.1857","0.1914","","","","","","1.053","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507775","8.6638","0.001","10.6945","0.0012","21.769","0.002","90","","90","","90","","2017","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br N O4 S -","- C22 H18 Br N O4 S -","- C88 H72 Br4 N4 O16 S4 -","4","1","","Jia, Min-Qiang; You, Shu-Li","N-Heterocyclic Carbene-Catalyzed Enantioselective Intramolecular N-Tethered Aldehyde‒Ketone Benzoin Reactions","ACS Catalysis","2013","3","4","622","","10.1021/cs4000014","","","0.71073","MoKα","","0.0633","0.0463","","","0.1026","0.1108","","","","","","0.978","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507778","5.5223","0.0004","7.7292","0.0006","20.8328","0.0016","90","","90","","90","","889.21","0.12","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C28 H36 Cl4 N8 O8 -","4","1","","Daszkiewicz, Marek","Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentrosymmertic Chlorides. X-Ray, Vibrational and Theoretical Studies","Crystal Growth & Design","2013","13","6","2277","","10.1021/cg301733r","","","0.71073","MoKα","","0.0425","0.0354","","","0.0877","0.0919","","","","","","1.082","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507816","7.633","0.0007","8.0995","0.0007","11.3942","0.001","90","","90","","90","","704.43","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 B N O2 -","- C7 H8 B N O2 -","- C28 H32 B4 N4 O8 -","4","1","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0418","0.0406","","","0.1016","0.1021","","","","","","1.474","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507818","7.2516","0.0016","9.63","0.002","18.953","0.004","90","","90","","90","","1323.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 B N O4 -","- C13 H16 B N O4 -","- C52 H64 B4 N4 O16 -","4","1","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0427","0.0358","","","0.1014","0.106","","","","","","1.087","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507844","10.442","0.005","10.962","0.005","16.273","0.005","90","0.005","90","0.005","90","0.005","1862.7","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","","","0.71073","MoKα","","0.2186","0.087","","","0.1423","0.1901","","","","","","1.033","","","","has coordinates","211135","2020-10-21","18:00:00",""
"4507868","5.703","0.005","10.623","0.01","29.89","0.03","90","","90","","90","","1811","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Cd N6 O8 S -","- C12 H10 Cd N6 O8 S -","- C48 H40 Cd4 N24 O32 S4 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.0264","0.0258","","","0.0689","0.0695","","","","","","1.143","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507870","6.8486","0.0012","13.2","0.002","23.247","0.004","90","","90","","90","","2101.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Cd N3 O5 -","- C22 H25 Cd N3 O5 -","- C88 H100 Cd4 N12 O20 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.034","0.0313","","","0.0611","0.0631","","","","","","1.093","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507885","10.4949","0.003","10.8924","0.0028","16.581","0.004","90","","90","","90","","1895.5","0.9","295","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 O5 -","- C18 H28 N2 O5 -","- C72 H112 N8 O20 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","powder diffraction","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","211135","2020-10-21","18:00:00",""
"4507886","12.6505","0.0015","14.1353","0.0017","19.489","0.002","90","","90","","90","","3485","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N3 O4 S -","- C19 H15 N3 O4 S -","- C152 H120 N24 O32 S8 -","8","2","","McNeil, S. Keith; Kelley, Steven P.; Beg, Cameran; Cook, Hamilton; Rogers, Robin D.; Nikles, David E.","Cocrystals of 10-Methylphenthiazine and 1,3-Dinitrobenzene: Implications for the Optical Sensing of TNT-Based Explosives.","ACS applied materials & interfaces","2013","5","15","7647","7653","10.1021/am401961s","","","0.71073","MoKα","","0.1101","0.047","","","0.0695","0.0842","","","","","","0.952","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507920","8.5905","0.0004","15.3257","0.0007","25.5881","0.0011","90","","90","","90","","3368.8","0.3","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 Co N7 O6 -","- C35 H35 Co N7 O6 -","- C140 H140 Co4 N28 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0397","0.0365","","","0.0999","0.1021","","","","","","1.063","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507921","8.5961","0.0011","15.1874","0.0018","25.425","0.003","90","","90","","90","","3319.3","0.7","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 N7 Ni O6 -","- C35 H35 N7 Ni O6 -","- C140 H140 N28 Ni4 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0678","0.0629","","","0.1572","0.1609","","","","","","1.07","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507925","12.071","0.003","13.885","0.005","17.666","0.007","90","","90","","90","","2960.9","1.7","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 Co N5 O5 -","- C30 H35 Co N5 O5 -","- C120 H140 Co4 N20 O20 -","4","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71069","MoKα","","0.08","0.0554","","","0.1456","0.1586","","","","","","1.049","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507926","12.1844","0.0005","12.9184","0.0005","18.8908","0.0007","90","","90","","90","","2973.5","0.2","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N5 Ni O5 -","- C30 H35 N5 Ni O5 -","- C120 H140 N20 Ni4 O20 -","4","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.0591","0.0499","","","0.1376","0.1448","","","","","","1.023","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507938","5.073","0.004","8.309","0.007","26.37","0.02","90","","90","","90","","1111.5","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0611","0.0406","","","0.0917","0.1042","","","","","","1.021","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507939","5.0837","0.0007","8.2864","0.0012","25.802","0.004","90","","90","","90","","1086.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0377","0.0349","","","0.0858","0.0879","","","","","","1.096","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507960","7.1939","0.0006","13.559","0.0012","20.6036","0.0018","90","","90","","90","","2009.7","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cu N4 O8 -","- C22 H16 Cu N4 O8 -","- C88 H64 Cu4 N16 O32 -","4","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0392","0.0315","","","0.0622","0.0646","","","","","","1.002","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4508131","6.382","0.0013","11.442","0.002","12.786","0.003","90","","90","","90","","933.7","0.3","100","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 Cl3 N O -","- C7 H6 Cl3 N O -","- C28 H24 Cl12 N4 O4 -","4","1","","Rybarczyk-Pirek, Agnieszka J.; Chęcińska, Lilianna; Małecka, Magdalena; Wojtulewski, Sławomir","Intermolecular Interactions of Trichloromethyl Group in the Crystal State, the Case of 2-Trichloromethyl-3H-4-quinazoline Polymorphs and 1-Methyl-2-trichloroacetylpyrrole‒Hirshfeld Surface Analysis of Chlorine Halogen Bonding","Crystal Growth & Design","2013","13","9","3913","","10.1021/cg400584w","","","0.6","synchrotron","","0.0186","0.0186","","","0.0483","0.0483","","","","","","1.102","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508173","7.5991","0.0016","13.661","0.003","27.583","0.006","90","","90","","90","","2863.4","1.1","293.1","","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl N2 O3 S -","- C13 H13 Cl N2 O3 S -","- C104 H104 Cl8 N16 O24 S8 -","8","2","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.7107","MoKα","","","0.0546","","","","0.0615","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508175","6.3202","0.0012","9.9001","0.0018","35.109","0.007","90","","90","","90","","2196.8","0.7","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O -","- C23 H31 N O -","- C92 H124 N4 O4 -","4","1","","Koshima, Hideko; Matsuo, Risa; Matsudomi, Masafumi; Uemura, Yutaro; Shiro, Motoo","Light-Driven Bending Crystals of Salicylidenephenylethylamines in Enantiomeric and Racemate Forms","Crystal Growth & Design","2013","13","10","4330","","10.1021/cg400675r","","","1.54187","CuKα","","","0.0813","","","","0.2538","","","","","","1.019","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508244","10.6903","0.0019","15.235","0.003","25.04","0.004","90","","90","","90","","4078.2","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Cl2 Cu N8 O16 -","- C30 H32 Cl Cu N8 O12 -","- C120 H128 Cl4 Cu4 N32 O48 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.105","0.0802","","","0.2165","0.2259","","","","","","1.438","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508356","34.074","0.004","10.4676","0.0011","13.8502","0.0015","90","","90","","90","","4940","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Cl1.25 Co1.25 N5 O2.5 -","- C23.998 H31 Cl Co N4 O3.828 -","- C191.984 H248 Cl8 Co8 N32 O30.624 -","8","2","","Belokon, Yuri N.; Maleev, Victor I.; North, Michael; Larionov, Vladimir A.; Savel’yeva, Tat’yana F.; Nijland, Aike; Nelyubina, Yuliya V.","Chiral Octahedral Complexes of CoIIIAs a Family of Asymmetric Catalysts Operating under Phase Transfer Conditions","ACS Catalysis","2013","","","1951","","10.1021/cs400409d","","","0.71073","MoKα","","0.0891","0.0792","","","0.1776","0.1807","","","","","","1.857","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508359","4.65","0.004","13.822","0.011","21.585","0.017","90","","90","","90","","1387","2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 S3 -","- C11 H12 N2 O3 S3 -","- C44 H48 N8 O12 S12 -","4","1","","Shestopalov, Anatoliy M.; Larionova, Natalia A.; Fedorov, Alexander E.; Rodinovskaya, Lyudmila A.; Mortikov, Valery Yu.; Zubarev, Andrey A.; Bushmarinov, Ivan S.","Synthesis of Isomeric Isothiazolo[4′,3′:4,5]- and Isothiazolo[4′,5′:4,5]thieno[3,2-b]pyrano[2,3-d]pyridines by Combination of Domino Reactions","ACS Combinatorial Science","2013","15","10","541","","10.1021/co400066y","","","0.71073","MoKα","","0.141","0.059","","","0.0951","0.1193","","","","","","0.968","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508376","9.08","0.004","14.954","0.007","15.588","0.007","90","","90","","90","","2116.6","1.7","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 F6 Ir O5 S -","- C16 H21 F6 Ir O5 S -","- C64 H84 F24 Ir4 O20 S4 -","4","1","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.0639","0.0329","","","0.0598","0.0664","","","","","","1.023","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508405","7.398","0.005","8.098","0.002","16.35","0.002","90","","90","","90","","979.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","anti-1a","","","- C10 H8 Br2 O2 -","- C10 H8 Br2 O2 -","- C40 H32 Br8 O8 -","4","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0738","0.0459","","","0.1082","0.1173","","","","","","1.036","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508431","10.8285","0.0002","16.4265","0.0004","25.1152","0.0006","90","","90","","90","","4467.35","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H38 N12 O14 Zn2 -","- C46 H34 N12 O14 Zn2 -","- C184 H136 N48 O56 Zn8 -","4","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0421","0.035","","","0.072","0.0746","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508467","5.8643","0.0001","7.2657","0.0001","28.2073","0.0006","90","","90","","90","","1201.86","0.04","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CmpOMe","4-methoxyphenyl-pyridin-3-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.0303","0.0278","","","0.0713","0.0736","","","","","","1.099","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508523","6.4504","0.0002","14.9484","0.0004","19.9662","0.0005","90","","90","","90","","1925.2","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 Na O9 S -","- C14 H24 N2 Na O9 S -","- C56 H96 N8 Na4 O36 S4 -","4","1","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71069","MoKα","","0.0606","0.0399","","","0.0898","0.0982","","","","","","1.017","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508533","7.0769","0.0017","17.65","0.004","30.592","0.007","90","","90","","90","","3821.2","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 2","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-fluorobenzene","","- C48 H53 F O4 -","- C48 H53.001 F0.999 O4 -","- C192 H212.004 F3.996 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0632","0.0435","","","0.0932","0.1009","","","","","","1.052","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508534","7.0371","0.0011","17.64","0.003","31.045","0.005","90","","90","","90","","3853.8","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 3","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl]-1,2-difluorobenzene","","- C48 H52 F2 O4 -","- C48 H52 F2 O4 -","- C192 H208 F8 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0516","0.0395","","","0.0916","0.0978","","","","","","1.024","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508535","12.6657","0.00029","13.1555","0.0004","26.4441","0.0007","90","","90","","90","","4406.2","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","Compound 3","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl]-1,2-difluorobenzene","","- C52 H58 F2 N2 O4 -","- C52 H58 F2 N2 O4 -","- C208 H232 F8 N8 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","x-ray","0.71073","MoKα","","0.0686","0.0558","","","0.1322","0.1407","","","","","","1.086","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508538","12.77","0.002","13.057","0.002","26.323","0.004","90","","90","","90","","4389","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 5","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-1,2,4,5-tetrafluorobenzene","","- C52 H56 F4 N2 O4 -","- C52 H56 F4 N2 O4 -","- C208 H224 F16 N8 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0603","0.0446","","","0.1103","0.1197","","","","","","1.023","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508539","17.3857","0.0019","19.968","0.002","22.353","0.002","90","","90","","90","","7760","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 5","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl] -1,2,4,5-tetrafluorobenzene","","- C48 H50 F4 O4 -","- C48 H50 F4 O4 -","- C384 H400 F32 O32 -","8","2","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0559","0.0401","","","0.0924","0.1001","","","","","","1.066","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508545","7.6241","0.0003","9.5476","0.0004","17.8401","0.0007","90","","90","","90","","1298.61","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0552","0.0454","","","0.0776","0.0813","","","","","","1.061","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508548","5.3472","0.0002","10.3235","0.0003","49.6238","0.0017","90","","90","","90","","2739.32","0.16","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C120 H104 Br8 N16 O8 -","8","2","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0736","0.0589","","","0.0783","0.086","","","","","","1.11","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508549","7.812","0.0002","9.5016","0.0003","18.04","0.0007","90","","90","","90","","1339.05","0.08","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0462","0.0376","","","0.0702","0.0739","","","","","","1.042","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508597","13.739","0.006","15.73","0.007","18.234","0.008","90","","90","","90","","3941","3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 N10 Ni O8 S2 -","- C36 H38 N10 Ni O8 S2 -","- C144 H152 N40 Ni4 O32 S8 -","4","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.1306","0.0602","","","0.1274","0.1552","","","","","","0.989","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508665","9.8752","0.0011","11.6167","0.0012","16.2401","0.0017","90","","90","","90","","1863","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Compound_12","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C80 H76 N12 O12 -","4","1","","Baures, Paul W.; Caldwell, Adam W.; Cashman, Chris R.; Masse, Marie T.; Van Arnam, Ethan B.; Conry, Rebecca R.","The Influence by Substituents on the Intermolecular Hydrogen-Bonding Interactions in Imidazole-4,5-dicarboxylic Acid Derivatives","Crystal Growth & Design","2006","6","9","2047","","10.1021/cg060057i","","","0.71073","MoKα","","0.0534","0.0425","","","0.1025","0.1062","","","","","","1.035","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508672","4.629","0.002","9.534","0.004","14.913","0.007","90","","90","","90","","658.2","0.5","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 I O -","- C6 H5 I O -","- C24 H20 I4 O4 -","4","1","","Merz, Klaus","Substitution Effect on Crystal Packings of Iodobenzonitriles and Iodophenols","Crystal Growth & Design","2006","6","7","1615","","10.1021/cg060067j","","","0.71073","MoKα","","0.0248","0.0231","","","0.0588","0.0596","","","","","","1.07","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508689","4.535","0.002","17.557","0.003","24.498","0.005","90","","90","","90","","1950.6","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Phenol, 2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-4-nitro","","- C23 H19 N3 O5 -","- C23 H19 N3 O5 -","- C92 H76 N12 O20 -","4","1","","Fridman, Natalya; Speiser, Shammai; Kaftory, Menahem","Chromotropic Behavior of Lophine Nitro-Derivatives","Crystal Growth & Design","2006","6","10","2281","","10.1021/cg0600952","","","0.71073","MoKα","","0.1207","0.0358","","","0.0539","0.0619","","","","","","0.634","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508714","3.8571","0.0005","12.3235","0.0015","12.5884","0.0015","90","","90","","90","","598.36","0.13","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Br N O2 -","- C6.66667 H5.33333 Br1.33333 N1.33333 O2.66667 -","- C20 H16 Br4 N4 O8 -","3","0.75","","Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François","Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules","Crystal Growth & Design","2006","6","6","1278","","10.1021/cg060117k","","","0.71073","MoKα","","0.0275","0.0252","","","0.0584","0.0589","","","","","","1.041","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508767","9.8833","0.0013","11.4815","0.0016","15.678","0.002","90","","90","","90","","1779.1","0.4","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H29 N3 O4 -","- C14 H29 N3 O4 -","- C56 H116 N12 O16 -","4","1","","Said, Farouq F.; Ong, Tiow-Gan; Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.","Linking Hydrogen Dicarboxylate Synthons with Substituted Guanidinium Cations: Transforming Rings and Chains into Two- and Three-Dimensional Structures","Crystal Growth & Design","2006","6","8","1848","","10.1021/cg060167p","","","0.71073","MoKα","","0.0806","0.0718","","","0.2032","0.2148","","","","","","1.076","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508786","9.0085","0.0015","9.0085","0.0015","15.799","0.004","90","","90","","90","","1282.1","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H13 Er N O10 P -","- C5 H7 Er N O10 P -","- C20 H28 Er4 N4 O40 P4 -","4","1","","Tang, Si-Fu; Song, Jun-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","Luminescent Lanthanide(III) Carboxylate−Phosphonates with Helical Tunnels","Crystal Growth & Design","2006","6","10","2322","","10.1021/cg060248l","","","0.71073","MoKα","","0.0242","0.0231","","","0.0542","0.0547","","","","","","1.122","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508787","8.9466","0.0001","8.9062","0.0002","15.5353","0.0003","90","","90","","90","","1237.86","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H13 Lu N O10 P -","- C5 H7 Lu N O10 P -","- C20 H28 Lu4 N4 O40 P4 -","4","1","","Tang, Si-Fu; Song, Jun-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","Luminescent Lanthanide(III) Carboxylate−Phosphonates with Helical Tunnels","Crystal Growth & Design","2006","6","10","2322","","10.1021/cg060248l","","","0.71073","MoKα","","0.0223","0.0214","","","0.0494","0.0499","","","","","","1.133","","","","has coordinates","179623","2020-10-21","18:00:00",""
"4508824","6.0547","0.0003","12.5714","0.0007","17.5919","0.001","90","","90","","90","","1339.03","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","hy31592","","","- C13 H18 N O3 P -","- C13 H18 N O3 P -","- C52 H72 N4 O12 P4 -","4","1","","Anderson, Kirsty M.; Afarinkia, Kamyar; Yu, Hiu-wan; Goeta, Andrés E.; Steed, Jonathan W.","WhenZ‘ = 2 Is Better thanZ‘ = 1Supramolecular Centrosymmetric Hydrogen-Bonded Dimers in Chiral Systems","Crystal Growth & Design","2006","6","9","2109","","10.1021/cg0603265","","","0.71073","MoKα","","0.0354","0.0317","","","0.0777","0.0797","","","","","","1.058","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508856","6.4126","0.0005","7.8307","0.0009","10.4658","0.001","90","","90","","90","","525.54","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H3 Cd Cl N4 -","- C2 H3 Cd Cl N4 -","- C8 H12 Cd4 Cl4 N16 -","4","1","","Li, Wei; Jia, Hong-Peng; Ju, Zhan-Feng; Zhang, Jie","A Novel Chiral Cd(II) Coordination Polymer Based on Achiral Unsymmetrical 3-Amino-1,2,4-triazole with an Unprecedented μ4-Bridging Mode","Crystal Growth & Design","2006","6","9","2136","","10.1021/cg060363w","","","0.71073","MoKα","","0.0294","0.0272","","","0.0565","0.0584","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508864","5.9452","0.0012","9.4204","0.0019","18.37","0.004","90","","90","","90","","1028.8","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pyridine-2,4,6-tricarboxylic acid","","- C8 H9 N O8 -","- C8 H9 N O8 -","- C32 H36 N4 O32 -","4","1","","Babu, N. Jagadeesh; Nangia, Ashwini","Water-Mediated Multicenter Synthon and Aromatic C−H →N Isostructurality","Crystal Growth & Design","2006","6","8","1753","","10.1021/cg060378u","","","0.71073","MoKα","","0.0464","0.0407","","","0.0933","0.0962","","","","","","1.078","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508883","12.129","0.002","15.477","0.003","24.098","0.004","90","","90","","90","","4523.7","1.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C H Ba Cl N O -","- C3 H3 Ba0.2 Cl0.3 N2.1 O2 -","- C120 H120 Ba8 Cl12 N84 O80 -","40","10","","Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine","Crystal Growth & Design","2006","6","11","2611","","10.1021/cg060424q","","","0.71073","MoKα","","0.045","0.0444","","","0.1266","0.1275","","","","","","0.661","","","","has coordinates,has disorder","179624","2020-10-21","18:00:00",""
"4508884","13.346","0.003","14.749","0.003","23.876","0.005","90","","90","","90","","4699.8","1.7","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 Cd2 Cl6 N20 O18 -","- C32 H30 Cd2 Cl6 N20 O18 -","- C128 H120 Cd8 Cl24 N80 O72 -","4","1","","Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine","Crystal Growth & Design","2006","6","11","2611","","10.1021/cg060424q","","","0.71073","MoKα","","0.0592","0.0582","","","0.1557","0.1565","","","","","","1.233","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508885","15.933","0.002","17.702","0.003","20.202","0.003","90","","90","","90","","5697.9","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H63 Cl7 La2 N20 O26 -","- C30 H59 Cl7 La2 N20 O26 -","- C120 H236 Cl28 La8 N80 O104 -","4","1","","Liu, Jing-Xin; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Molecular Capsules Based on Cucurbit[5]uril Encapsulating “Naked” Anion Chlorine","Crystal Growth & Design","2006","6","11","2611","","10.1021/cg060424q","","","0.71073","MoKα","","0.0327","0.0322","","","0.0844","0.0847","","","","","","1.064","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508890","5.561","0.0001","8.6113","0.0002","21.9162","0.0005","90","","90","","90","","1049.51","0.04","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 F O2 S -","- C10 H13 F O2 S -","- C40 H52 F4 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.1005","0.0473","","","0.0796","0.0915","","","","","","1.003","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508891","5.6291","0.0007","8.8502","0.0011","21.79","0.003","90","","90","","90","","1085.5","0.2","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 F2 O2 S -","- C10 H12 F2 O2 S -","- C40 H48 F8 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.0419","0.0322","","","0.0762","0.0802","","","","","","1.008","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508896","5.6382","0.0011","8.4542","0.0017","21.822","0.004","90","","90","","90","","1040.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 F O2 S -","- C10 H13 F O2 S -","- C40 H52 F4 O8 S4 -","4","1","","Asensio, Gregorio; Medio-Simon, Mercedes; Alemán, Pedro; de Arellano, Carmen Ramírez","The Role of Organic Fluorine in the Supramolecular Assembly of Halogenated β-Hydroxysulphoxides Diastereomers","Crystal Growth & Design","2006","6","12","2769","","10.1021/cg060465m","","","0.71073","MoKα","","0.1314","0.0463","","","0.0658","0.0743","","","","","","1.008","","","","has coordinates","179624","2020-10-21","18:00:00",""
"4508925","8.735","0.004","9.807","0.004","13.729","0.005","90","","90","","90","","1176.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Li, Hexian; Yang, Hailong; Wang, Ying; Yuan, Wei; Wang, Lin; Wang, Guochang","Searching for Unknown Polymorphs by “Quenched Nucleation”: Studies on the Polymorphism ofN-(1-Naphthyl) Succinimide","Crystal Growth & Design","2009","9","9","3817","","10.1021/cg800305j","","","0.71073","MoKα","","0.0673","0.039","","","0.0851","0.0957","","","","","","1.008","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508940","7.5086","0.0001","11.3384","0.0003","16.1484","0.0006","90","","90","","90","","1374.8","0.07","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tetramethylpropyldiammonium Dithiocyanate","","","- C9 H20 N4 S2 -","- C9 H20 N4 S2 -","- C36 H80 N16 S8 -","4","1","","Wolstenholme, David J.; Weigand, Jan J.; Cameron, Elinor M.; Cameron, T. Stanley","Understanding the Role Structural Changes Play in the Formation of Strong and Weak Hydrogen Bonds in Tetramethylalkyldiammonium Dithiocyanate Salts","Crystal Growth & Design","2009","9","1","282","","10.1021/cg800452w","","","0.7107","MoKα","","0.032","0.02","","","","0.024","","","","","","1.199","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508945","6.6677","0.0015","14.668","0.003","15.516","0.003","90","","90","","90","","1517.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Br4 Cd N2 -","- C8 H14 Br4 Cd N2 -","- C32 H56 Br16 Cd4 N8 -","4","1","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.053","0.0381","","","0.0818","0.0881","","","","","","1.023","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508946","6.3661","0.0009","14.371","0.002","15.157","0.002","90","","90","","90","","1386.7","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Cd Cl4 N2 -","- C8 H14 Cd Cl4 N2 -","- C32 H56 Cd4 Cl16 N8 -","4","1","","Lu, Jianjiang; Kochi, Jay K.","Charge-Modulated Associates of Anionic Donors with Cationic π-Acceptors: Crystal Structures of Ternary Synthons Leading to Molecular Wires","Crystal Growth & Design","2009","9","1","291","","10.1021/cg800465e","","","0.71073","MoKα","","0.0287","0.0262","","","0.0621","0.0642","","","","","","1.079","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4508996","9.5921","0.0008","13.7579","0.0012","17.562","0.0015","90","","90","","90","","2317.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 N2 O4 Zn -","- C28 H20 N2 O4 Zn -","- C112 H80 N8 O16 Zn4 -","4","1","","Hang, Tian; Fu, Da-Wei; Ye, Qiong; Xiong, Ren-Gen","Two Novel Noncentrosymmetric Zinc Coordination Compounds with Second Harmonic Generation Response, and Potential Piezoelectric and Ferroelectric Properties","Crystal Growth & Design","2009","9","5","2026","","10.1021/cg800618v","","","0.71073","MoKα","","0.0531","0.0428","","","0.1105","0.1205","","","","","","0.79","","","","has coordinates","179625","2020-10-21","18:00:00",""
"4509038","6.592","0.002","9.43","0.003","15.185","0.005","90","","90","","90","","943.9","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 Cl Cu N4 O -","- C7 H7 Cl Cu N4 O -","- C28 H28 Cl4 Cu4 N16 O4 -","4","1","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.0202","0.0188","","","0.049","0.0493","","","","","","1.036","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509039","6.5901","0.0009","9.8962","0.0015","15.329","0.002","90","","90","","90","","999.7","0.2","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 Br Cu N4 O -","- C7 H7 Br Cu N4 O -","- C28 H28 Br4 Cu4 N16 O4 -","4","1","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.04","0.0344","","","0.0813","0.0849","","","","","","1.034","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509040","6.7418","0.0012","12.143","0.002","13.04","0.002","90","","90","","90","","1067.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Cu N5 O5 -","- C7 H9 Cu N5 O5 -","- C28 H36 Cu4 N20 O20 -","4","1","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.0529","0.0361","","","0.0786","0.0842","","","","","","1.058","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509041","6.591","0.004","11.078","0.006","15.408","0.009","90","","90","","90","","1125","1.1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 B Cu F4 N4 O -","- C7 H7 B Cu F4 N4 O -","- C28 H28 B4 Cu4 F16 N16 O4 -","4","1","","Wang, Ying; Zhao, Xiao-Qing; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Self-Assembly of a Series of Metal−Organic Frameworks Based on 4-Pyridyl-1,2,4-triazole and Copper(II) Ion","Crystal Growth & Design","2009","9","5","2137","","10.1021/cg800719u","","","0.71073","MoKα","","0.0659","0.0574","","","0.1509","0.1575","","","","","","1.092","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509069","17.774","0.009","18.964","0.01","23.806","0.012","90","","90","","90","","8024","7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H52 Co4 N24 O2 -","- C84 H52 Co4 N24 O2 -","- C336 H208 Co16 N96 O8 -","4","1","","Mo, Hao-Jun; Zhong, Yong-Rui; Cao, Man-Li; Ou, Yong-Cong; Ye, Bao-Hui","Hydrothermal Syntheses and Structural Diversity of Cobalt Complexes with 2,2′-Bibenzimidazole Ligand by Temperature Tuning Strategy","Crystal Growth & Design","2009","9","1","488","","10.1021/cg800747t","","","0.71073","MoKα","","0.142","0.0957","","","0.1839","0.2074","","","","","","1.073","","","","has coordinates","179626","2020-10-21","18:00:00",""
"4509131","12.9012","0.001","14.2134","0.0012","25.111","0.002","90","","90","","90","","4604.6","0.6","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C55 H52 N4 O6 -","- C55 H49 N4 O6 -","- C220 H196 N16 O24 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Kamon, Kensaku; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and Crystal Structure of Two-Component Host System Having Helical Chirality and Comprising 9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine and 1,1′-Binaphthyl-2,2′-dicarboxylic Acid","Crystal Growth & Design","2009","9","1","602","","10.1021/cg800911x","","","0.71073","MoKα","","0.0723","0.0619","","","0.1493","0.1564","","","","","","1.048","","","","has coordinates,has disorder","179627","2020-10-21","18:00:00",""
"4509132","12.9155","0.0009","14.2194","0.001","25.2284","0.0017","90","","90","","90","","4633.2","0.6","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H54 N4 O6 -","- C56 H51 N4 O6 -","- C224 H204 N16 O24 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Kamon, Kensaku; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and Crystal Structure of Two-Component Host System Having Helical Chirality and Comprising 9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine and 1,1′-Binaphthyl-2,2′-dicarboxylic Acid","Crystal Growth & Design","2009","9","1","602","","10.1021/cg800911x","","","0.71073","MoKα","","0.0783","0.0639","","","0.138","0.145","","","","","","1.071","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509133","12.8177","0.0008","14.4717","0.0009","25.1811","0.0015","90","","90","","90","","4670.9","0.5","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H56 N4 O6 -","- C57 H56 N4 O6 -","- C228 H224 N16 O24 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Kamon, Kensaku; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and Crystal Structure of Two-Component Host System Having Helical Chirality and Comprising 9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine and 1,1′-Binaphthyl-2,2′-dicarboxylic Acid","Crystal Growth & Design","2009","9","1","602","","10.1021/cg800911x","","","0.71073","MoKα","","0.0818","0.0667","","","0.1333","0.1403","","","","","","1.07","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509142","9.9103","0.0002","12.8091","0.0002","13.3863","0.0002","90","","90","","90","","1699.28","0.05","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 I2 N4 O Zn -","- C11 H18 I2 N4 O Zn -","- C44 H72 I8 N16 O4 Zn4 -","4","1","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0243","0.0232","","","0.0555","0.056","","","","","","1.059","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509143","12.7651","0.0012","12.9336","0.0012","22.579","0.002","90","","90","","90","","3727.8","0.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 N8 O11 Zn2 -","- C30 H50 N8 O11 Zn2 -","- C120 H200 N32 O44 Zn8 -","4","1","","Mondal, Raju; Basu, Tannistha; Sadhukhan, Dipali; Chattopadhyay, Tanmay; Bhunia, Manas kumar","Influence of Anion on the Coordination Mode of a Flexible Neutral Ligand in Zn(II) Complexes: From Discrete Zero-Dimensional to Infinite 1D Helical Chains, 2D Nanoporous Bilayer Networks, and 3D Interpenetrated Metal−Organic Frameworks","Crystal Growth & Design","2009","9","2","1095","","10.1021/cg800923g","","","0.71073","MoKα","","0.0899","0.0766","","","0.217","0.2346","","","","","","1.113","","","","has coordinates","179627","2020-10-21","18:00:00",""
"4509210","7.044","0.003","11.932","0.005","18.271","0.006","90","0.02","90","0.03","90","0.04","1535.7","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N3 O3 -","- C15 H21 N3 O3 -","- C60 H84 N12 O12 -","4","1","","Jiménez, Claudio A.; Belmar, Julio B.; Ortíz, Leandro; Hidalgo, Paulina; Fabelo, Oscar; Pasán, Jorge; Ruiz-Pérez, Catalina","Influence of the Aliphatic Wrapping in the Crystal Structure of Benzene Tricarboxamide Supramolecular Polymers","Crystal Growth & Design","2009","9","12","4987","","10.1021/cg801054e","","x-ray","0.71073","MoKα","","0.0715","0.0457","","","0.0768","0.0852","","","","","","1.116","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509233","10.5539","0.001","12.8757","0.0012","13.0817","0.0012","90","","90","","90","","1777.7","0.3","175","2","175","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl2 Ti -","- C18 H26 Cl2 Ti -","- C72 H104 Cl8 Ti4 -","4","1","","Guzei, Ilia A.; Mitra, Amitabha; Spencer, Lara C.","Concomitant Twinning and Polymorphism of Ti(C5H4tBu)2Cl2","Crystal Growth & Design","2009","9","5","2287","","10.1021/cg8010772","","","0.71073","Mo-Kα","","0.0358","0.0294","","","0.0661","0.0693","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509234","10.7173","0.0001","12.8649","0.0002","13.1891","0.0002","90","","90","","90","","1818.47","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl2 Ti -","- C18 H26 Cl2 Ti -","- C72 H104 Cl8 Ti4 -","4","1","","Guzei, Ilia A.; Mitra, Amitabha; Spencer, Lara C.","Concomitant Twinning and Polymorphism of Ti(C5H4tBu)2Cl2","Crystal Growth & Design","2009","9","5","2287","","10.1021/cg8010772","","","1.54178","Cu-Kα","","0.0465","0.0308","","","0.0772","0.0855","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509257","10.3118","0.0004","17.6601","0.0014","19.7133","0.0016","90","","90","","90","","3589.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[4-[2-(4-chlorobenzamide)ethyl]phenoxy]-2-methylpropanoic acid","","- C19 H20 Cl N O4 -","- C19 H20 Cl N O4 -","- C152 H160 Cl8 N8 O32 -","8","2","","Lemmerer, Andreas; Báthori, Nikoletta B.; Esterhuysen, Catharine; Bourne, Susan A.; Caira, Mino R.","Concomitant Polymorphs of the Antihyperlipoproteinemic Bezafibrate","Crystal Growth & Design","2009","9","6","2646","","10.1021/cg8011298","","","0.71073","MoKα","","0.102","0.044","","","0.0756","0.091","","","","","","0.979","","","","has coordinates","179628","2020-10-21","18:00:00",""
"4509325","7.1271","0.0007","10.2782","0.001","18.0061","0.0017","90","","90","","90","","1319","0.2","273","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H23 N3 O9 P2 -","- C4 H23 N3 O9 P2 -","- C16 H92 N12 O36 P8 -","4","1","","Chen, Shuo-ping; Pan, Ling-ling; Yuan, Yi-xuan; Shi, Xi-xi; Yuan, Liang-jie","A Novel Supramolecular Resin Based On an Organic Acid−Base Compound","Crystal Growth & Design","2009","9","6","2668","","10.1021/cg801233x","","","0.71073","MoKα","","0.0485","0.0448","","","0.1193","0.1242","","","","","","1.069","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509342","8.0391","0.0015","10.988","0.002","39.944","0.007","90","","90","","90","","3528.4","1.1","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12.57 H27.43 N6.86 O6.86 -","- C12.5714 H27.4286 N6.85714 O6.85714 -","- C88 H192 N48 O48 -","7","1.75","","Wishkerman, Sara; Bernstein, Joel; Hickey, Magali B.","Crystal Engineering with Cocrystals of Benzo-[18]Crown-6 and Urea and Thiourea Derivatives","Crystal Growth & Design","2009","9","7","3204","","10.1021/cg801261h","","","0.71073","MoKα","","0.0884","0.0428","","","0.1027","0.1225","","","","","","0.995","","","","has coordinates,has disorder","179629","2020-10-21","18:00:00",""
"4509357","8.8317","0.0003","13.4885","0.0005","16.2387","0.0008","90","","90","","90","","1934.46","0.14","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-((μ~2~-benzene-1,3-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-zinc(ii))","","- C18 H18 N4 O4 Zn -","- C18 H18 N4 O4 Zn -","- C72 H72 N16 O16 Zn4 -","4","1","","Hunger, Jens; Krautscheid, Harald; Sieler, Joachim","Hydrothermal Synthesis and Structure of Coordination Polymers by Combination of Bipyrazole and Aromatic Dicarboxylate Ligands","Crystal Growth & Design","2009","9","11","4613","","10.1021/cg801282r","","","0.71073","MoKα","","0.0317","0.0266","","","0.0527","0.0535","","","","","","0.945","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509388","5.1187","0.0007","5.6092","0.0007","34.847","0.005","90","","90","","90","","1000.5","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C44 H36 N12 O8 -","4","1","","Dureisseix, Valérie; Sanselme, Morgane; Robin, Yves; Coquerel, Gérard","Two Concomitant Polymorphs of 1,2-Naphthoquinone-2-semicarbazone","Crystal Growth & Design","2009","9","8","3438","","10.1021/cg801361m","","x-ray","0.71073","MoKα","","0.0577","0.0424","","","0.0999","0.1056","","","","","","1.077","","","","has coordinates","179629","2020-10-21","18:00:00",""
"4509427","7.6861","0.0015","16.47","0.003","25.37","0.005","90","","90","","90","","3211.6","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 Eu O18 S3 -","- C21 H39 Eu O18 S3 -","- C84 H156 Eu4 O72 S12 -","4","1","","Tang, Si-Fu; Mudring, Anja-Verena","The Missing Link Crystallized from the Ionic Liquid 1-Ethyl-3-methylimidazolium Tosylate: Bis-aqua-(p-toluenesulfonato-O)-europium(III)-bis-p-toluenesulfonate Dihydrate","Crystal Growth & Design","2009","9","6","2549","","10.1021/cg900025x","","","0.71073","MoKα","","0.0394","0.0363","","","0.0861","0.0886","","","","","","1.068","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509446","14.116","0.003","15.011","0.003","23.121","0.005","90","","90","","90","","4899.2","1.8","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H64 Cl2 Mo N20 Ni3 O13 -","- C26 H54 Cl2 Mo N20 Ni3 O13 -","- C104 H216 Cl8 Mo4 N80 Ni12 O52 -","4","1","","Zhang, Wen; Wang, Zhi-Qiang; Sato, Osamu; Xiong, Ren-Gen","A Secondary Reagent-Assisted Synthesis of A Novel NiII−MoIVChiral Coordination Polymer","Crystal Growth & Design","2009","9","5","2050","","10.1021/cg900062y","","","0.71073","MoKα","","0.0954","0.0633","","","0.1285","0.1383","","","","","","1.006","","","","has coordinates","179630","2020-10-21","18:00:00",""
"4509614","9.4569","0.0018","11.444","0.002","17.664","0.003","90","","90","","90","","1911.7","0.6","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N8 Ni O5 -","- C15 H20 N8 Ni O5 -","- C60 H80 N32 Ni4 O20 -","4","1","","Zhou, Xin-Hui; Du, Xiao-Di; Li, Gao-Nan; Zuo, Jing-Lin; You, Xiao-Zeng","Coordination Polymers Assembled from 3,5-Pyrazoledicarboxylic Acid and Bis(triazolyl) Ligands: Chiral andMeso-Structures Induced by Ligand Flexibility and a Six-Connected Self-Catenated Network","Crystal Growth & Design","2009","9","10","4487","","10.1021/cg900509r","","","0.71073","MoKα","","0.0658","0.0555","","","0.101","0.1032","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509762","5.4584","0.0003","12.8761","0.0008","21.8161","0.0013","90","","90","","90","","1533.3","0.16","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one maleate","","- C12 H15 N3 O7 S -","- C12 H15 N3 O7 S -","- C48 H60 N12 O28 S4 -","4","1","","Martins, Felipe T.; Paparidis, Nikolas; Doriguetto, Antônio C.; Ellena, Javier","Crystal Engineering of an Anti-HIV Drug Based on the Recognition of Assembling Molecular Frameworks","Crystal Growth & Design","2009","9","12","5283","","10.1021/cg900790f","","x-ray","0.71073","MoKα","","0.1094","0.0473","","","0.0839","0.1378","","","","","","0.993","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509763","5.413","0.0001","12.787","0.0004","21.6501","0.0007","90","","90","","90","","1498.53","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one maleate","","- C12 H15 N3 O7 S -","- C12 H15 N3 O7 S -","- C48 H60 N12 O28 S4 -","4","1","","Martins, Felipe T.; Paparidis, Nikolas; Doriguetto, Antônio C.; Ellena, Javier","Crystal Engineering of an Anti-HIV Drug Based on the Recognition of Assembling Molecular Frameworks","Crystal Growth & Design","2009","9","12","5283","","10.1021/cg900790f","","x-ray","0.71073","MoKα","","0.0534","0.0443","","","0.1101","0.1153","","","","","","1.095","","","","has coordinates","179633","2020-10-21","18:00:00",""
"4509837","12.8738","0.0018","16.382","0.002","26.73","0.004","90","","90","","90","","5637.3","1.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","10 [Cp*Ir(Gly)]3(OTf)3 in manuscript","","","- C42 H63 F9 Ir3 N3 O16 S3 -","- C42 H63 F9 Ir3 N3 O16 S3 -","- C168 H252 F36 Ir12 N12 O64 S12 -","4","1","","Wöckel, Simone; Plessow, Philipp; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Alcohol Amination with Aminoacidato Cp*Ir(III)-Complexes as Catalysts: Dissociation of the Chelating Ligand during Initiation","ACS Catalysis","2014","4","1","152","","10.1021/cs4009418","","","0.71073","MoKα","","0.0571","0.0504","","","0.1267","0.1339","","","","","","1.02","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509890","8.8194","0.0012","9.2436","0.0014","20.227","0.003","90","","90","","90","","1649","0.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23.4 N4 O8.7 -","- C12 H23.404 N4 O8.702 -","- C48 H93.616 N16 O34.808 -","4","1","","Nath, Naba K.; Yasuda, Nobuhiro; Rabeh, Wael M.; Sahoo, Subash Chandra; Naumov, Panče","Structural Elucidation of the Neuraminidase Inhibitor Zanamivir (Relenza): Creeping and Diffusion for Polymorph Separation","Crystal Growth & Design","2014","14","2","770","","10.1021/cg4016383","","","0.61948","Synchrotron","","0.0334","0.0327","","","0.093","0.0936","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509920","17.1342","0.0007","17.7157","0.0006","17.9936","0.0007","90","","90","","90","","5461.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 Fe2 N19 O2 S4 -","- C47 Fe2 N19 O2 S4 -","- C188 Fe8 N76 O8 S16 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1198","0.077","","","0.1764","0.2035","","","","","","1.027","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509921","16.676","0.001","17.192","0.002","17.671","0.001","90","","90","","90","","5066.2","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H45 Fe2 N19 O2 S4 -","- C47 H41 Fe2 N19 O2 S4 -","- C188 H164 Fe8 N76 O8 S16 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1416","0.0665","","","0.1366","0.168","","","","","","1.028","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509922","16.6608","0.0003","17.6843","0.0003","17.8456","0.0004","90","","90","","90","","5257.93","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H47 Fe2 N19 O2 S4 -","- C48 H47 Fe2 N19 O2 S4 -","- C192 H188 Fe8 N76 O8 S16 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.0639","0.0524","","","0.1177","0.1264","","","","","","1.043","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4509954","5.1175","0.0007","13.0267","0.0017","29.29","0.004","90","","90","","90","","1952.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MonoC4F9dibenzphenazine","11-perfluorobutyl-dibenz[a,c]phenazine","","- C24 H11 F9 N2 -","- C24 H11 F9 N2 -","- C96 H44 F36 N8 -","4","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0239","0.0213","","","0.0536","0.0551","","","","","","1.13","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4510029","12.4567","0.0004","14.2413","0.0005","18.0693","0.0013","90","","90","","90","","3205.5","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H44 B2 F8 Ir N4 O2 P3 -","- C19 H43 B2 F8 Ir N4 O2 P3 -","- C76 H172 B8 F32 Ir4 N16 O8 P12 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0371","0.0352","","","0.0869","0.0879","","","","","","1.013","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510032","10.2065","0.0005","11.645","0.0005","30.295","0.002","90","","90","","90","","3600.7","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H53 B2 F8 Ir N4 O3 P2 -","- C27 H53 B2 F8 Ir N4 O3 P2 -","- C108 H212 B8 F32 Ir4 N16 O12 P8 -","4","1","","Campos, Jesús; Hintermair, Ulrich; Brewster, Timothy P.; Takase, Michael K.; Crabtree, Robert H.","Catalyst Activation by Loss of Cyclopentadienyl Ligands in Hydrogen Transfer Catalysis with Cp*IrIIIComplexes","ACS Catalysis","2014","4","3","973","","10.1021/cs401138f","","","0.71073","MoKα","","0.0396","0.0354","","","0.0713","0.0728","","","","","","1.088","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510082","14.774","0.006","15.653","0.007","16.871","0.007","90","","90","","90","","3902","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N8 O11 Zn2 -","- C36 H32 N8 O11 Zn2 -","- C144 H128 N32 O44 Zn8 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.119","0.09","","","0.2053","0.2249","","","","","","1.044","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510084","12.581","0.005","26.347","0.005","29.852","0.005","90","0.005","90","0.005","90","0.005","9895","5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H30 F30 O22 Pb6 -","- C80 H30 F30 O22 Pb6 -","- C320 H120 F120 O88 Pb24 -","4","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71073","MoKα","","0.05","0.0391","","","0.0894","0.0953","","","","","","1.011","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510090","7.2754","0.0011","16.048","0.003","25.129","0.004","90","","90","","90","","2934","0.8","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C120 H152 N24 O32 -","8","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","1.54178","CuKα","","0.0452","0.0385","","","0.0884","0.0908","","","","","","1.061","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510092","7.2139","0.0009","14.9348","0.0017","27.803","0.003","90","","90","","90","","2995.4","0.6","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Imazamox","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C120 H152 N24 O32 -","8","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","1.54178","CuKα","","0.0897","0.0582","","","0.1225","0.1363","","","","","","0.998","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510093","6.1344","0.0004","12.3989","0.0004","19.8456","0.0007","90","","90","","90","","1509.45","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","IMAZAMOX","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C60 H76 N12 O16 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","0.71073","MoKα","","0.0551","0.0428","","","0.099","0.1073","","","","","","0.949","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510114","14.895","0.005","9.852","0.002","5.353","0.002","90","","90","","90","","785.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 N3 O3 -","- C6 H13 N3 O3 -","- C24 H52 N12 O12 -","4","1","","Allouchi, Hassan; Nicolaï, Béatrice; Barrio, Maria; Céolin, René; Mahé, Nathalie; Tamarit, Josep-Lluís; Do, Bernard; Rietveld, Ivo B.","On the Polymorphism ofl-Citrulline: Crystal Structure and Characterization of the Orthorhombic δ Form","Crystal Growth & Design","2014","14","3","1279","","10.1021/cg401801u","","","1.5418","CuKα","","0.0661","0.0469","","","0.1144","0.1333","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510139","11.7527","0.0002","11.8972","0.0002","13.3762","0.0002","90","","90","","90","","1870.32","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cu4 I4 S2 -","- C8 H16 Cu4 I4 S2 -","- C32 H64 Cu16 I16 S8 -","4","1","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0462","0.0458","","","0.1166","0.1169","","","","","","1.08","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510156","10.761","0.004","12.478","0.004","15.846","0.005","90","","90","","90","","2127.7","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 N3 O20 U3 -","- C6 H14 N3 O20 U3 -","- C24 H56 N12 O80 U12 -","4","1","","de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.","Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials","Crystal Growth & Design","2014","14","3","1357","","10.1021/cg401849r","","","0.71073","MoKα","","0.0283","0.0234","","","0.0418","0.0433","","","","","","1.062","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510159","6.329","0.005","17.445","0.015","21.917","0.018","90","","90","","90","","2420","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C96 H120 N8 O20 -","4","1","","Bera, Santu; Jana, Poulami; Maity, Suman K.; Haldar, Debasish","Inhibition of Fibril Formation by Tyrosine Modification of Diphenylalanine: Crystallographic Insights","Crystal Growth & Design","2014","14","3","1032","","10.1021/cg4015042","","","0.71073","MoKα","","0.179","0.0814","","","0.1844","0.2291","","","","","","1.007","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510193","9.7799","0.0002","11.3381","0.0004","12.6008","0.0005","90","","90","","90","","1397.25","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O7 S U -","- C11 H11 N O7 S U -","- C44 H44 N4 O28 S4 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0229","0.0213","","","0.0482","0.0487","","","","","","1.015","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510207","5.7193","0.0001","9.5627","0.0002","20.9579","0.0005","90","","90","","90","","1146.23","0.04","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 Se -","- C12 H13 N3 Se -","- C48 H52 N12 Se4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0266","0.0242","","","0.0309","0.0313","","","","1.66","1.66","1.62","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510208","7.1809","0.0003","10.2986","0.0005","15.768","0.0008","90","","90","","90","","1166.09","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C48 H52 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0348","0.0268","","","0.0285","0.029","","","","1.62","1.62","1.53","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510212","4.7643","0.0015","15.968","0.006","16.294","0.006","90","","90","","90","","1239.6","0.8","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C52 H60 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0371","0.0287","","","0.0602","0.0622","","","","1.63","1.63","1.57","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510271","6.3131","0.0003","8.0821","0.0005","20.8006","0.0012","90","","90","","90","","1061.31","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O5 Zn -","- C10 H10 O5 Zn -","- C40 H40 O20 Zn4 -","4","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.0261","0.0261","","","0.0957","0.0957","","","","","","0.991","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510356","4.9709","0.0002","9.7703","0.0005","24.2865","0.0013","90","","90","","90","","1179.53","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid","3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid","","- C10 H13 N O5 S -","- C10 H13 N O5 S -","- C40 H52 N4 O20 S4 -","4","1","","Zolotarev, Pavel N.; Arshad, Muhammad Nadeem; Asiri, Abdullah M.; Al-amshany, Zahra M.; Blatov, Vladislav A.","A Possible Route toward Expert Systems in Supramolecular Chemistry: 2-Periodic H-Bond Patterns in Molecular Crystals","Crystal Growth & Design","2014","14","4","1938","","10.1021/cg500066p","","","1.54184","CuKα","","0.0521","0.0442","","","0.1042","0.1123","","","","","","1.084","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510378","4.2026","0.0001","9.1884","0.0001","28.2702","0.0004","90","","90","","90","","1091.66","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N3 O3 S -","- C9 H13 N3 O3 S -","- C36 H52 N12 O12 S4 -","4","1","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.; Pashagin, Alexander V.; Bredikhina, Zemfira A.","Crystallization Features of the Chiral Drug Timolol Precursor: The Rare Case of Conglomerate with Partial Solid Solutions","Crystal Growth & Design","2014","14","4","1676","","10.1021/cg4017905","","","0.71073","MoKα","","0.0525","0.0459","","","0.1219","0.1274","","","","","","1.05","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510384","10.228","0.0002","20.6215","0.0005","21.8081","0.0005","90","","90","","90","","4599.69","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 O2 P -","- C29 H21 O2 P -","- C232 H168 O16 P8 -","8","2","","Zhou, Yougui; Zhang, Xuepeng; Liang, Huiyi; Cao, Zhenkun; Zhao, Xiaoyu; He, Yuwei; Wang, Shouliang; Pang, Jiyan; Zhou, Zhongyuan; Ke, Zhuofeng; Qiu, Liqin","Enantioselective Synthesis of Axially Chiral Biaryl Monophosphine Oxides via Direct Asymmetric Suzuki Coupling and DFT Investigations of the Enantioselectivity","ACS Catalysis","2014","4","5","1390","","10.1021/cs500208n","","","0.71073","MoKα","","0.075","0.0405","","","0.0816","0.095","","","","","","1","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510389","7.668","0.002","12.341","0.003","35.548","0.004","90","","90","","90","","3363.9","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-D-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Seventeen-Membered Water Cluster Resulting from Recognition of Solvated Anions on Brucinium Corrugated Layers","Crystal Growth & Design","2014","14","5","2621","","10.1021/cg500310n","","","0.71073","MoKα","","0.1049","0.0587","","","0.1068","0.1273","","","","","","0.975","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510425","6.4736","0.0016","12.144","0.003","20.562","0.005","90","","90","","90","","1616.5","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1133","0.0715","","","0.1817","0.2186","","","","","","1.436","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510426","6.4741","0.0003","12.1369","0.0005","20.5318","0.0008","90","","90","","90","","1613.3","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1039","0.0767","","","0.2203","0.25","","","","","","1.046","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510427","6.488","0.0003","12.0928","0.0006","20.1117","0.001","90","","90","","90","","1577.93","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0551","0.049","","","0.1455","0.16","","","","","","1.09","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510428","6.4865","0.0007","11.9271","0.0012","19.82","0.002","90","","90","","90","","1533.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0328","0.0281","","","0.0669","0.0764","","","","","","1.057","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510429","6.472","0.0005","12.2437","0.0008","19.4058","0.0014","90","","90","","90","","1537.74","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0847","0.0473","","","0.1368","0.1755","","","","","","1.091","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510430","6.5083","0.0002","12.0454","0.0003","18.8508","0.0005","90","","90","","90","","1477.81","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.048","0.0348","","","0.0997","0.1248","","","","","","0.917","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510431","5.7242","0.0003","12.161","0.0007","22.5922","0.0013","90","","90","","90","","1572.69","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0563","0.0388","","","0.1112","0.1385","","","","","","1.15","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510432","5.7217","0.0003","12.1561","0.0007","22.5944","0.0012","90","","90","","90","","1571.52","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0683","0.0419","","","0.1161","0.1472","","","","","","1.133","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510433","5.7484","0.0005","12.1833","0.001","22.8871","0.0018","90","","90","","90","","1602.9","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1235","0.0843","","","0.2584","0.3033","","","","","","1.048","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510434","5.7438","0.0003","12.1764","0.0007","22.8889","0.0012","90","","90","","90","","1600.82","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0579","0.0429","","","0.1257","0.1506","","","","","","1.139","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510435","5.9075","0.0011","12.565","0.002","20.215","0.004","90","","90","","90","","1500.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1514","0.0561","","","0.1341","0.2061","","","","","","0.966","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510436","5.9102","0.0007","12.5547","0.0015","20.197","0.002","90","","90","","90","","1498.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0803","0.0473","","","0.1311","0.1691","","","","","","1.058","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510437","6.8857","0.0005","12.8536","0.0009","18.8943","0.0014","90","","90","","90","","1672.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0599","0.0447","","","0.1355","0.1623","","","","","","0.864","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510438","6.873","0.004","12.792","0.006","18.27","0.009","90","","90","","90","","1606.3","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0271","0.0262","","","0.0652","0.0672","","","","","","1.068","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510439","6.7277","0.0008","8.5988","0.001","27.314","0.003","90","","90","","90","","1580.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0751","0.0411","","","0.1132","0.146","","","","","","1.106","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510440","6.7196","0.0011","8.5932","0.0014","27.33","0.005","90","","90","","90","","1578.1","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0975","0.0657","","","0.1559","0.1952","","","","","","1.182","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510441","5.7057","0.0008","15.291","0.002","18.545","0.003","90","","90","","90","","1618","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 N2 O4 -","- C16 H10 N2 O3.66 -","- C64 H40 N8 O14.64 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0969","0.0832","","","0.2168","0.2367","","","","","","1.08","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510485","8.9999","0.0009","13.0762","0.0013","21.704","0.002","90","","90","","90","","2554.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Blonanserinium succinate salt","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-1,4-Butanedioic acid","","- C27 H36 F N3 O4 -","- C27 H36 F N3 O4 -","- C108 H144 F4 N12 O16 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.0367","0.0339","","","0.0762","0.0774","","","","","","1.032","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510563","20.2889","0.0008","16.9602","0.0007","8.5506","0.0004","90","","90","","90","","2942.3","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Hexaphenyldisilane","Hexaphenyldisilane","","- C36 H30 Si2 -","- C36 H30 Si2 -","- C144 H120 Si8 -","4","1","","Bernert, Thomas; Winkler, Björn; Krysiak, Yasar; Fink, Lothar; Berger, Matthias; Alig, Edith; Bayarjargal, Lkhamsuren; Milman, Victor; Ehm, Lars; Stephens, Peter W.; Auner, Norbert; Lerner, Hans-Wolfram","Determination of the Crystal Structure of Hexaphenyldisilane from Powder Diffraction Data and Its Thermodynamic Properties","Crystal Growth & Design","2014","14","6","2937","","10.1021/cg5002286","powder diffraction","","0.7","synchrotron","","","","","","","","","1.505","2.233","","","","","","","has coordinates","193997","2020-10-21","18:00:00",""
"4510595","7.202","0.0004","13.542","0.0008","14.9987","0.0007","90","","90","","90","","1462.82","0.14","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Lornoxicam","(3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin- 4 - one 1,1-dioxide","","- C13 H10 Cl N3 O4 S2 -","- C13 H10 Cl N3 O4 S2 -","- C52 H40 Cl4 N12 O16 S8 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.0718","0.0466","","","0.0866","0.093","","","","","","0.935","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510596","6.8795","0.0005","9.1606","0.0008","26.201","0.002","90","","90","","90","","1651.2","0.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Lornoxicam Hydrochloride salt","(3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-enol 1,1-dioxide) hydrochloride salt","","- C13 H11 Cl2 N3 O4 S2 -","- C13 H11 Cl2 N3 O4 S2 -","- C52 H44 Cl8 N12 O16 S8 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.1345","0.0707","","","0.1404","0.1586","","","","","","0.98","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510656","11.029","0.001","10.759","0.002","26.357","0.004","90","","90","","90","","3127.5","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","BuG","","","- C9 H13 N5 O -","- C9 H13 N5 O -","- C108 H156 N60 O12 -","12","3","","Murata, Tsuyoshi; Saito, Gunzi; Nakamura, Kenji; Maesato, Mitsuhiko; Hiramatsu, Takaaki; Yoshida, Yukihiro","Exploration of Charge-Transfer Solids Utilizing Nucleobases: Nanoarchitectures by Hydrogen-Bonds in the Ionic Assemblies of Guanine and TCNQ Derivatives","Crystal Growth & Design","2013","13","7","2778","","10.1021/cg400059h","","","0.71073","MoKα","","0.1399","0.115","","","0.3072","0.333","","","","","","1.329","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510671","5.5237","0.0001","6.709","0.0002","26.8532","0.0005","90","","90","","90","","995.14","0.04","100","2","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N3 O6 -","- C8 H11 N3 O6 -","- C32 H44 N12 O24 -","4","1","","Chimpri, Abita Shyorotra; Gryl, Marlena; Dos Santos, Leonardo H. R.; Krawczuk, Anna; Macchi, Piero","Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives:l-Histidinium Hydrogen Oxalate","Crystal Growth & Design","2013","13","7","2995","","10.1021/cg400411t","","","0.7107","MoKα","","0.036","0.034","","","","0.025","","","","","","1.845","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510672","6.68","0.0002","9.2116","0.0002","16.3534","0.0004","90","","90","","90","","1006.28","0.04","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N3 O6 -","- C8 H11 N3 O6 -","- C32 H44 N12 O24 -","4","1","","Chimpri, Abita Shyorotra; Gryl, Marlena; Dos Santos, Leonardo H. R.; Krawczuk, Anna; Macchi, Piero","Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives:l-Histidinium Hydrogen Oxalate","Crystal Growth & Design","2013","13","7","2995","","10.1021/cg400411t","","","0.71073","MoKα","","0.0515","0.0414","","","0.0939","0.0999","","","","","","1.07","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510712","9.351","0.0003","10.9234","0.0003","14.8553","0.0005","90","","90","","90","","1517.39","0.08","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Ag F6 N3 P -","- C12 H13 Ag F6 N3 P -","- C48 H52 Ag4 F24 N12 P4 -","4","1","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0382","0.034","","","0.0971","0.1088","","","","","","1.104","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510740","7.3516","0.0011","16.346","0.002","18.801","0.003","90","","90","","90","","2259.3","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N5 O3 -","- C24 H29 N5 O3 -","- C96 H116 N20 O12 -","4","1","","Wang, Jian-Rong; Wang, Xiaojuan; Lu, Liye; Mei, Xuefeng","Highly Crystalline Forms of Valsartan with Superior Physicochemical Stability","Crystal Growth & Design","2013","13","7","3261","","10.1021/cg400762w","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510741","10.2475","0.0003","12.7244","0.0003","19.7838","0.0005","90","","90","","90","","2579.67","0.12","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N5 O4 -","- C26 H35 N5 O4 -","- C104 H140 N20 O16 -","4","1","","Wang, Jian-Rong; Wang, Xiaojuan; Lu, Liye; Mei, Xuefeng","Highly Crystalline Forms of Valsartan with Superior Physicochemical Stability","Crystal Growth & Design","2013","13","7","3261","","10.1021/cg400762w","","","1.54178","CuKα","","0.0274","0.027","","","0.0701","0.0704","","","","","","1.025","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510771","8.594","0.002","12.644","0.003","39.717","0.01","90","","90","","90","","4315.7","1.8","120.15","","120.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel trihydrate","","- C43 H59 N O17 -","- C43 H59 N O17 -","- C172 H236 N4 O68 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","","x-ray","0.6889","Synchrotron","","0.09","0.0635","","","0.1331","0.1414","","","","","","1.034","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510774","8.6619","0.0008","12.7429","0.0009","39.838","0.004","90","","90","","90","","4397.2","0.7","","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel trihydrate","","- C43 H59 N O17 -","- C41.882 H38.822 N O17 -","- C167.528 H155.288 N4 O68 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","","1.823","","","","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510775","8.625","0.002","12.91","0.002","39.764","0.011","90","","90","","90","","4427.7","1.7","","","343.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel monohydrate","","- C43 H55 N O15 -","- C43 H52 N O15 -","- C172 H208 N4 O60 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","","1.166","","","","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510776","8.6078","0.0008","12.9231","0.0016","38.421","0.005","90","","90","","90","","4273.9","0.9","","","383.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel monohydrate","","- C43 H53 N O14 -","- C43 H52 N O14 -","- C172 H208 N4 O56 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","","1.169","","","","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510799","4.2509","0.0007","11.363","0.003","31.115","0.006","90","","90","","90","","1502.9","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.0592","0.0497","","","0.1265","0.1368","","","","","","1.009","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510814","11.5116","0.0005","13.6607","0.0006","39.4718","0.0017","90","","90","","90","","6207.2","0.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 -","- C65 H56 Cl4 N4 O4 Pd2 Ru2 S2 -","- C260 H224 Cl16 N16 O16 Pd8 Ru8 S8 -","4","1","","Hellmuth, Tina; Rieckhoff, Stefan; Weiss, Marcel; Dorst, Konstantin; Frey, Wolfgang; Peters, René","Cooperative Bimetallic Asymmetric Catalysis: Comparison of a Planar Chiral Ruthenocene Bis-Palladacycle to the Corresponding Ferrocene","ACS Catalysis","2014","4","6","1850","","10.1021/cs500393x","","","1.54178","CuKα","","0.0354","0.0339","","","0.0855","0.0863","","","","","","1.042","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510835","10.3322","0.0004","10.5059","0.0005","10.5715","0.0005","90","","90","","90","","1147.53","0.09","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N O2 Rh -","- C11 H18 N O2 Rh -","- C44 H72 N4 O8 Rh4 -","4","1","","Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas","Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer","ACS Catalysis","2012","2","2","246","","10.1021/cs200607s","","","0.71073","MoKα","","0.03","0.0254","","0.0454","0.0442","0.0454","","","1.082","","","1.082","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510874","6.60584","0.00003","13.11919","0.00007","18.80723","0.00008","90","","90","","90","","1629.9","0.013","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Etiracetam 2,4-dihydroxybenzoic acid cocrystal","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","powder diffraction","x-ray","0.775045","synchrotron","","","","","","","","","12.3722","2.9361","","","","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510876","8.0511","0.0004","13.0536","0.0006","23.0243","0.0009","90","","90","","90","","2419.76","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","- C88 H96 N16 O40 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","1.54184","CuKα","","0.0446","0.0412","","","0.1108","0.1148","","","","","","1.02","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510890","7.1392","0.0005","10.9541","0.0008","26.8891","0.0016","90","","90","","90","","2102.8","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 N2 O2 -","- C23 H38 N2 O2 -","- C92 H152 N8 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0993","0.055","","","0.0705","0.0894","","","","","","0.892","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510893","7.5672","0.0003","19.6475","0.0009","26.3375","0.0009","90","","90","","90","","3915.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21.5 H32 N2.5 O1.5 -","- C21.5 H32 N2.5 O1.5 -","- C172 H256 N20 O12 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0852","0.0476","","","0.1086","0.1176","","","","","","0.909","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510895","7.3164","0.0004","21.562","0.002","24.0058","0.0011","90","","90","","90","","3787.1","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C168 H256 N16 O8 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.1056","0.038","","","0.0616","0.0703","","","","","","0.756","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510896","7.233","0.002","11.85","0.002","48.672","0.002","90","","90","","90","","4171.7","1.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23.5 H34.5 N2.5 O -","- C23.5 H34.5 N2.5 O -","- C188 H276 N20 O8 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0962","0.0679","","","0.1132","0.1223","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510897","7.2098","0.0005","10.4654","0.0007","26.0313","0.0013","90","","90","","90","","1964.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 N2 O2 -","- C21 H34 N2 O2 -","- C84 H136 N8 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.072","0.0372","","","0.0631","0.0676","","","","","","0.801","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510925","13.784","0.014","16.174","0.017","24.55","0.02","90","","90","","90","","5473","9","150","2","150","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","Orcinol form II","","","- C7 H8 O2 -","- C7 H8 O2 -","- C224 H256 O64 -","32","8","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.11","0.0927","","","0.2247","0.2428","","","","","","1.233","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510947","10.8303","0.0003","15.0749","0.0006","16.9006","0.0006","90","","90","","90","","2759.29","0.17","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 B F17 N6 O -","- C30 B F17 N6 O -","- C120 B4 F68 N24 O4 -","4","1","","Morse, Graham E.; Helander, Michael G.; Maka, Jozef F.; Lu, Zheng-Hong; Bender, Timothy P.","Fluorinated Phenoxy Boron Subphthalocyanines in Organic Light-Emitting Diodes","ACS Applied Materials & Interfaces","2010","2","7","1934","","10.1021/am1002603","","","0.71073","MoKα","","0.0808","0.0474","","","0.1098","0.1274","","","","","","1.045","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510954","6.6012","0.0001","11.6826","0.0003","29.9592","0.0007","90","","90","","90","","2310.43","0.09","200","2","200","2","","","","","","","chemical synthesis","6","P 21 21 21","P 2ac 2ab","19","Wyeth WAY-260022-A-6 [L31097-45-A]","1-{(1<i>S</i>)-2-[(<i>cis</i>)-3,5-Dimethylpiperazin-l-yl]-1- [3-(trifluoromethoxy)phenyl]ethyl}cyclohexanol Dihydrochloride","","- C21 H33 Cl2 F3 N2 O2 -","- C21 H33 Cl2 F3 N2 O2 -","- C84 H132 Cl8 F12 N8 O8 -","4","1","","Gavrin, Lori K.; Mahaney, Paige E.; Jenkins, Douglas; Nogle, Lisa M.; Mugford, Cheryl A.; Huselton, Christine; Leiter, Jennifer; Johnston, Grace H.; Bray, Jenifer A.; Burroughs, Kevin D.; Cosmi, Scott A.; Alfinito, Peter; Ho, Douglas M.; Deecher, Darlene C.; Trybulski, Eugene J.","Discovery of WAY-260022, a Potent and Selective Inhibitor of the Norepinephrine Transporter","ACS Medicinal Chemistry Letters","2010","1","3","91","","10.1021/ml100009p","","","0.71073","MoKα","","0.0562","0.0411","","","0.0829","0.0892","","","","","","1.033","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510981","8.447","0.0012","12.5254","0.0017","13.3182","0.0018","90","","90","","90","","1409.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Znic 2-(1H-imidazole-yl) propinate","","","- C12 H14 N4 O4 Zn -","- C12 H14 N4 O4 Zn -","- C48 H56 N16 O16 Zn4 -","4","1","","Zhang, Gao; Yao, Shi-Yan; Guo, Dong-Wei; Tian, Yun-Qi","Noncentrosymmetric and Homochiral Metal−Organic Frameworks of (S)-2-(1H-Imidazole1-yl) Propionic Acid","Crystal Growth & Design","2010","10","5","2355","","10.1021/cg1001368","","","0.71073","MoKα","","0.0228","0.0208","","","0.0483","0.049","","","","","","1.04","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510982","8.3992","0.001","12.6546","0.0016","13.3111","0.0016","90","","90","","90","","1414.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cobalt 2-(1H-imidazole-yl) propinate","","","- C12 H14 Co N4 O4 -","- C12 H14 Co N4 O4 -","- C48 H56 Co4 N16 O16 -","4","1","","Zhang, Gao; Yao, Shi-Yan; Guo, Dong-Wei; Tian, Yun-Qi","Noncentrosymmetric and Homochiral Metal−Organic Frameworks of (S)-2-(1H-Imidazole1-yl) Propionic Acid","Crystal Growth & Design","2010","10","5","2355","","10.1021/cg1001368","","","0.71073","MoKα","","0.0426","0.0333","","","0.0647","0.0681","","","","","","1.035","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511016","11.0358","0.0003","16.4868","0.0004","35.5496","0.001","90","","90","","90","","6468.1","0.3","150","","150","","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C63 H85 N5 O13 -","- C63 H85 N5 O13 -","- C252 H340 N20 O52 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0595","0.0532","","0.1436","0.1383","0.1436","","","","","","0.9914","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511017","10.8836","0.0007","16.6797","0.0016","36.187","0.003","90","","90","","90","","6569.2","0.9","150","","150","","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H59 N9 O11 -","- C53 H59 N9 O11 -","- C212 H236 N36 O44 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.1582","0.1245","","0.3545","0.3145","0.3545","","","","","","1.1233","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511132","8.3516","0.0001","16.4363","0.0002","16.7544","0.0002","90","","90","","90","","2299.87","0.05","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 O5 -","- C24 H40 O5 -","- C96 H160 O20 -","4","1","","Nonappa,; Lahtinen, Manu; Ikonen, Satu; Kolehmainen, Erkki; Kauppinen, Reijo","Solid-State NMR, X-ray Diffraction, and Thermoanalytical Studies Towards the Identification, Isolation, and Structural Characterization of Polymorphs in Natural Bile Acids","Crystal Growth & Design","2009","9","11","4710","","10.1021/cg9005828","","","0.71073","MoKα","","0.0477","0.0414","","","0.0916","0.095","","","","","","1.06","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511133","12.156","0.0002","13.2178","0.0002","26.5954","0.0003","90","","90","","90","","4273.23","0.11","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 O4 -","- C24 H40 O4 -","- C192 H320 O32 -","8","2","","Nonappa,; Lahtinen, Manu; Ikonen, Satu; Kolehmainen, Erkki; Kauppinen, Reijo","Solid-State NMR, X-ray Diffraction, and Thermoanalytical Studies Towards the Identification, Isolation, and Structural Characterization of Polymorphs in Natural Bile Acids","Crystal Growth & Design","2009","9","11","4710","","10.1021/cg9005828","","","0.71073","MoKα","","0.0727","0.0586","","","0.1258","0.1325","","","","","","1.094","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511146","14.784","0.0007","16.81","0.0008","18.997","0.001","90","","90","","90","","4721.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 N8 O12 Zn2 -","- C44 H34 N8 O12 Zn2 -","- C176 H136 N32 O48 Zn8 -","4","1","","Li, Shun-Li; Lan, Ya-Qian; Qin, Jun-Sheng; Ma, Jian-Fang; Liu, Jie; Yang, Jin","Assembly of 3D Metal-Organic Frameworks Based on Different Helical Units: Chiral and Achiral Structures Constructed by Length-Modulated N-Donor Ligands","Crystal Growth & Design","2009","9","9","4142","","10.1021/cg900371k","","","0.71069","MoKα","","0.0771","0.0571","","","0.1454","0.1594","","","","","","0.996","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4511159","14.262","0.003","14.562","0.003","23.545","0.005","90","","90","","90","","4889.9","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H66 Cu N8 O15 S -","- C40 H54 Cu N8 O15 S -","- C160 H216 Cu4 N32 O60 S4 -","4","1","","Rajput, Lalit; Biradha, Kumar","Reliable Formation of an Unusual and Chiral Two-Dimensional Network Containing Entanglement of the Ligand in the Presence of Different Anions","Crystal Growth & Design","2009","9","9","3848","","10.1021/cg900570m","","","0.71073","MoKα","","0.0683","0.0504","","","0.1261","0.1351","","","","","","1.021","","","","has coordinates,has disorder","179658","2020-10-21","18:00:00",""
"4511160","14.5315","0.0016","14.5565","0.0017","23.839","0.003","90","","90","","90","","5042.6","1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H66 Cu F6 N8 O11 Si -","- C36 H44 Cu F6 N8 O9 Si -","- C144 H176 Cu4 F24 N32 O36 Si4 -","4","1","","Rajput, Lalit; Biradha, Kumar","Reliable Formation of an Unusual and Chiral Two-Dimensional Network Containing Entanglement of the Ligand in the Presence of Different Anions","Crystal Growth & Design","2009","9","9","3848","","10.1021/cg900570m","","","0.71073","MoKα","","0.1312","0.0763","","","0.1635","0.1918","","","","","","0.923","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511271","14.516","0.001","14.916","0.0011","23.296","0.0016","90","","90","","90","","5044.1","0.6","230","2","230","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33.25 H40.5 Ag2 Cl0.5 F12 N10 O0.25 P2 -","- C33.25 H40.5 Ag2 Cl0.5 F12 N10 O0.25 P2 -","- C133 H162 Ag8 Cl2 F48 N40 O P8 -","4","1","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1509","0.0819","","","0.2013","0.2482","","","","","","0.959","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511272","14.1019","0.0008","14.708","0.0007","23.1792","0.001","90","","90","","90","","4807.6","0.4","230","2","230","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 Ag2 Cl2 N10 O8.25 -","- C33 H40 Ag2 Cl2 N10 O8.25 -","- C132 H160 Ag8 Cl8 N40 O33 -","4","1","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1675","0.0636","","","0.1483","0.1822","","","","","","0.791","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511278","4.9328","0.001","10.137","0.002","29.718","0.006","90","","90","","90","","1486","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 F O6 Zn -","- C16 H11 F O6 Zn -","- C64 H44 F4 O24 Zn4 -","4","1","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.1122","0.0989","","","0.2811","0.2981","","","","","","1.137","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511281","10.7914","0.0003","15.8162","0.0004","17.8982","0.0006","90","","90","","90","","3054.85","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30.5 H28 F N4 O7 Zn -","- C30.5 H27 F N4 O7 Zn -","- C122 H108 F4 N16 O28 Zn4 -","4","1","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0776","0.056","","","0.1445","0.1599","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511282","13.068","0.003","15.168","0.003","17.457","0.004","90","","90","","90","","3460.2","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H62 F2 N8 O13 Zn2 -","- C73 H58 F2 N8 O13 Zn2 -","- C146 H116 F4 N16 O26 Zn4 -","2","0.5","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0671","0.0497","","","0.1312","0.142","","","","","","1.037","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511364","5.6081","0.0014","17.574","0.004","23.186","0.006","90","","90","","90","","2285.1","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0755","0.0487","","","0.1017","0.1115","","","","","","0.906","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511366","5.608","0.0011","17.552","0.004","23.94","0.005","90","","90","","90","","2356.5","0.9","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0651","0.0586","","","0.1428","0.1464","","","","","","1.01","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511367","5.6887","0.001","17.493","0.003","24.11","0.004","90","","90","","90","","2399.2","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H32 N O5 -","- C104 H128 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.116","0.0504","","","0.1056","0.1222","","","","","","0.822","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511368","5.9143","0.0019","16.418","0.005","23.943","0.008","90","","90","","90","","2324.9","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1067","0.0843","","","0.1903","0.2025","","","","","","1.08","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511369","6.0401","0.0012","16.22","0.003","24.531","0.005","90","","90","","90","","2403.3","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1461","0.0552","","","0.1052","0.1269","","","","","","0.764","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511370","5.9155","0.0008","16.456","0.002","24.607","0.003","90","","90","","90","","2395.4","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H32 N O5 -","- C104 H128 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0749","0.0685","","","0.189","0.1955","","","","","","1.024","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511372","5.85","0.005","11.722","0.005","30.617","0.005","90","0.005","90","0.005","90","0.005","2100","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O6 -","- C23 H27 N O6 -","- C92 H108 N4 O24 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71069","MoKα","","0.289","0.0627","","","0.1291","0.1903","","","","","","0.776","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511373","5.94","0.003","16.522","0.008","23.753","0.012","90","","90","","90","","2331","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0973","0.0722","","","0.1795","0.198","","","","","","1.096","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511374","5.9321","0.0016","16.378","0.004","22.766","0.006","90","","90","","90","","2211.9","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1043","0.0879","","","0.1926","0.2144","","","","","","1.08","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511375","5.5978","0.0014","17.721","0.004","24.372","0.006","90","","90","","90","","2417.7","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1546","0.057","","","0.1128","0.1388","","","","","","0.736","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511377","5.8583","0.0011","16.932","0.003","24.245","0.004","90","","90","","90","","2404.9","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1116","0.0581","","","0.1146","0.1327","","","","","","0.788","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511379","5.3357","0.0005","14.5791","0.0012","27.62","0.002","90","","90","","90","","2148.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0542","0.0521","","","0.1351","0.1372","","","","","","1.03","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511396","6.7078","0.0001","7.1693","0.0001","19.0492","0.0003","90","","90","","90","","916.08","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0258","0.0258","","","0.0647","0.0647","","","","","","1.002","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511397","6.7089","0.0001","7.1714","0.0001","19.048","0.0002","90","","90","","90","","916.44","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.025","0.0249","","","0.0624","0.0624","","","","","","1.002","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511432","7.322","0.004","7.666","0.005","21.706","0.012","90","","90","","90","","1218.4","1.2","293.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H19 N O7 -","- C9 H19 N O7 -","- C36 H76 N4 O28 -","4","1","","Sakurai, Rumiko; Yuzawa, Atsushi; Sakai, Kenichi; Hirayama, Noriaki","Dielectrically Controlled Enantiomeric Resolution (DCR) of (R)- and (S)-2-Methylpyrrolidine by (R,R)-Tartaric Acid","Crystal Growth & Design","2006","6","7","1606","","10.1021/cg060041s","","","1.54187","CuKα","","","0.0577","","","","0.0989","","","","","","0.843","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511467","8.2519","0.0018","11.814","0.003","22.267","0.005","90","","90","","90","","2170.8","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N6 O4 -","- C22 H20 N6 O4 -","- C88 H80 N24 O16 -","4","1","","Tan, Ting-Feng; Han, Jie; Pang, Mei-Li; Song, Hai-Bin; Ma, Yu-Xin; Meng, Ji-Ben","Achiral Benzoic Acid Derivatives as Chiral Cocrystal Building Blocks in Supramolecular Chemistry: Adducts with Organic Amines","Crystal Growth & Design","2006","6","5","1186","","10.1021/cg060009y","","","0.71073","MoKα","","0.0607","0.0457","","","0.1058","0.116","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511479","14.447","0.001","18.806","0.001","21.515","0.001","90","","90","","90","","5845.4","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Cl3 -","- C24 H15 Cl3 -","- C288 H180 Cl36 -","12","3","","Vergadou, Vassiliki; Pistolis, George; Michaelides, Adonis; Varvounis, George; Siskos, Michael; Boukos, Nikos; Skoulika, Stavroula","Self-Organization of Four Symmetric Tri-phenyl-benzene Derivatives","Crystal Growth & Design","2006","6","11","2486","","10.1021/cg060183m","","","1.54178","CuKα","","0.1053","0.0749","","","0.2001","0.2491","","","","","","1.086","","","","has coordinates","287904","2023-11-30","17:49:47",""
"4511545","6.6714","0.0011","9.134","0.0015","37.65","0.006","90","","90","","90","","2294.3","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Lamivudinium hemiOxalate","","","- C18 H24 N6 O10 S2 -","- C18 H24 N6 O10 S2 -","- C72 H96 N24 O40 S8 -","4","1","","Perumalla, Sathyanarayana R.; Sun, Changquan C.","Design and Preparation of a 4:1 Lamivudine‒Oxalic Acid CAB Cocrystal for Improving the Lamivudine Purification Process","Crystal Growth & Design","2014","14","8","3990","","10.1021/cg5005825","","","0.71073","MoKα","","0.038","0.0317","","","0.0706","0.074","","","","","","1.028","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511552","6.852","0.001","17.012","0.001","17.31","0.001","90","","90","","90","","2017.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,7-Phenanthroline + water + HCl","","","- C24 H21 Cl N4 O2 -","- C24 H21 Cl N4 O2 -","- C96 H84 Cl4 N16 O8 -","4","1","","Arora, Kapildev K.; Pedireddi, V. R.","Poly(pseudo)rotaxane-like Network Mediated by Hydrogen Bonds in the Solid-State Structure of 1,7-Phenanthroline","Crystal Growth & Design","2005","5","4","1309","","10.1021/cg050038t","","","0.71073","MoKα","","0.0781","0.0491","","","0.1208","0.1335","","","","","","0.995","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511595","7.2659","0.0001","10.3858","0.0003","42.1865","0.001","90","","90","","90","","3183.49","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 N2 O9 -","- C31 H48 N2 O9 -","- C124 H192 N8 O36 -","4","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","1.54184","CuKα","","0.0336","0.0323","","","0.0829","0.0845","","","","","","1.039","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511599","7.351","0.002","9.78","0.003","29.993","0.005","90","","90","","90","","2156.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O4 -","- C21 H32 N2 O4 -","- C84 H128 N8 O16 -","4","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","1.54178","CuKα","","0.0883","0.0837","","","0.234","0.2366","","","","","","1.056","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511605","6.9037","0.0002","19.0744","0.0005","31.8889","0.0009","90","","90","","90","","4199.3","0.2","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H41 N4 O7 Tl -","- C52 H41 N4 O7 Tl -","- C208 H164 N16 O28 Tl4 -","4","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.047","0.0425","","0.0682","0.0677","0.0677","","","","","","0.9948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511616","5.7188","0.0004","10.1645","0.0007","20.4591","0.0011","90","","90","","90","","1189.26","0.13","298.01","0.1","298.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N3 O4 -","- C10 H13 N3 O4 -","- C40 H52 N12 O16 -","4","1","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.0756","0.0518","","","","0.1454","","","","","","1.0905","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511643","6.384","0.003","11.747","0.005","17.072","0.007","90","","90","","90","","1280.3","1","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Br F3 O2 -","- C13 H10 Br F3 O2 -","- C52 H40 Br4 F12 O8 -","4","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0409","","","","0.0977","","","","","","0.771","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511645","6.043","0.0007","7.8416","0.0009","29.273","0.004","90","","90","","90","","1387.2","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br F3 O2 -","- C13 H14 Br F3 O2 -","- C52 H56 Br4 F12 O8 -","4","1","","Davies, Alyn T.; Pickett, Philip M.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Asymmetric Synthesis of Tri- and Tetrasubstituted Trifluoromethyl Dihydropyranones from α-Aroyloxyaldehydes via NHC Redox Catalysis","ACS Catalysis","2014","4","8","2696","","10.1021/cs500667g","","","0.71075","MoKα","","","0.0682","","","","0.1435","","","","","","1.033","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511683","9.2876","0.0004","25.1207","0.0009","25.9555","0.0009","90","","90","","90","","6055.7","0.4","193","","193","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 F24 Fe2 N20 O3 P4 -","- C44 H48 F24 Fe2 N20 O3 P4 -","- C176 H192 F96 Fe8 N80 O12 P16 -","4","1","","Sunatsuki, Yukinari; Fujita, Kunihiro; Maruyama, Hisashi; Suzuki, Takayoshi; Ishida, Hiroyuki; Kojima, Masaaki; Glaser, Robert","Chiral Crystal Structure of aP212121Kryptoracemate Iron(II) Complex with an Unsymmetric Azine Ligand and the Observation of Chiral Single Crystal Circular Dichroism","Crystal Growth & Design","2014","14","8","3692","","10.1021/cg500635q","","","0.71075","MoKα","","","0.0443","","","","0.1237","","","","","","1.04","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511686","11.0979","0.0001","12.7557","0.0001","16.8829","0.0002","90","","90","","90","","2389.97","0.04","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","doxycycline chloride salt dihydrate","2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a- octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, dihydrate, (4S,4aR,5S,5aR,6R,12aS)- (9CI)","","- C22 H29 Cl N2 O10 -","- C22 H29 Cl N2 O10 -","- C88 H116 Cl4 N8 O40 -","4","1","","Santos, Olímpia M. M.; Silva, Douglas M.; Martins, Felipe T.; Legendre, Alexandre O.; Azarias, Lilian C.; Rosa, Iara M. L.; Neves, Person P.; de Araujo, Magali B.; Doriguetto, Antonio C.","Protonation Pattern, Tautomerism, Conformerism, and Physicochemical Analysis in New Crystal Forms of the Antibiotic Doxycycline","Crystal Growth & Design","2014","14","8","3711","","10.1021/cg500877z","","","1.5418","CuKα","","0.0314","0.0282","","","0.07","0.0721","","","","","","1.05","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511687","6.4753","0.0002","9.097","0.0004","42.8077","0.0016","90","","90","","90","","2521.62","0.17","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","doxycycline acetic acid dihydrate","2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a- octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, acetic acid, dihydrate, (4S,4aR,5S,5aR,6R,12aS)- (9CI)","","- C24 H32 N2 O12 -","- C24 H32 N2 O12 -","- C96 H128 N8 O48 -","4","1","","Santos, Olímpia M. M.; Silva, Douglas M.; Martins, Felipe T.; Legendre, Alexandre O.; Azarias, Lilian C.; Rosa, Iara M. L.; Neves, Person P.; de Araujo, Magali B.; Doriguetto, Antonio C.","Protonation Pattern, Tautomerism, Conformerism, and Physicochemical Analysis in New Crystal Forms of the Antibiotic Doxycycline","Crystal Growth & Design","2014","14","8","3711","","10.1021/cg500877z","","","0.71073","MoKα","","0.0715","0.0432","","","0.0928","0.0989","","","","","","0.943","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511697","7.7819","0.0004","11.6662","0.0005","12.4557","0.0008","90","","90","","90","","1130.79","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 Cd Cl3 N O -","- C7 H10 Cd Cl3 N O -","- C28 H40 Cd4 Cl12 N4 O4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0314","0.0245","","","0.0427","0.045","","","","","","1.032","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511703","7.5743","0.0003","11.1535","0.0004","13.5879","0.0005","90","","90","","90","","1147.91","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cd Cl3 N O -","- C8 H12 Cd Cl3 N O -","- C32 H48 Cd4 Cl12 N4 O4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.5418","CuKα","","0.0225","0.0225","","","0.0597","0.0597","","","","","","1.196","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511725","5.7118","0.0002","15.0846","0.0004","15.2666","0.0004","90","","90","","90","","1315.37","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-1-(4-Methylphenyl)-5-phenylpent-2-en-4-yn-1-one","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","1.54178","CuKα","","0.03","0.0287","","","0.0783","0.0793","","","","","","0.996","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511726","5.402","0.003","14.878","0.008","16.625","0.01","90","","90","","90","","1336.2","1.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-1-(4-Methoxyphenyl)-5-phenylpent-2-en-4-yn-1-one","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","0.71073","MoKα","","0.0889","0.0475","","","0.0804","0.0945","","","","","","1.003","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511752","13.22953","0.0002","4.69411","0.000068","6.06453","0.000094","90","","90","","90","","376.613","0.01","743","","743","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","potassium metaarsenate, alpha","","","- As K O3 -","- As K O3 -","- As4 K4 O12 -","4","1","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","powder diffraction","","1.54056","CuKα~1~","","0.0509","","","","","","","","5.298","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511761","6.2062","0.0018","12.573","0.005","22.12","0.01","90","","90","","90","","1726","1.2","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Sarkar, Anindita; Ragab, Doaa; Rohani, Sohrab","Polymorphism of Progesterone: A New Approach for the Formation of Form II and the Relative Stabilities of Form I and Form II","Crystal Growth & Design","2014","14","9","4574","","10.1021/cg5006727","","","0.71073","MoKα","","0.0942","0.0498","","","0.088","0.1031","","","","","","0.989","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511771","5.6515","0.0002","15.9119","0.0004","32.7063","0.0009","90","","90","","90","","2941.15","0.15","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N2 S2 -","- C7 H5 N2 S2 -","- C112 H80 N32 S32 -","16","4","","Domagała, Sławomir; Kosc, Krzysztof; Robinson, Sean W.; Haynes, Delia A.; Woźniak, Krzysztof","Dithiadiazolyl Radicals—Structures and Charge Densities of Their Crystals and Co-Crystal","Crystal Growth & Design","2014","14","9","4834","","10.1021/cg501013x","","x-ray","0.71073","MOKα","","0.0132","0.0132","","","0.0134","0.0134","","","","","","1.662","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511774","11.354","0.004","14.53","0.005","14.976","0.006","90","","90","","90","","2470.6","1.6","98","2","98","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Cl N Ni P2 -","- C22 H42 Cl N Ni P2 -","- C88 H168 Cl4 N4 Ni4 P8 -","4","1","","Venkanna, Gopaladasu T.; Arman, Hadi D.; Tonzetich, Zachary J.","Catalytic C‒S Cross-Coupling Reactions Employing Ni Complexes of Pyrrole-Based Pincer Ligands","ACS Catalysis","2014","4","9","2941","","10.1021/cs500874z","","","0.71073","MoKα","","0.0712","0.0578","","","0.1188","0.1314","","","","","","1.035","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511806","14.8814","0.0015","25.3457","0.0024","33.962","0.0028","90","","90","","90","","12810","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Lamivudine Duplex III","","","- C96 H137.3 N30 O51.66 S10 -","- C96 H137.3 N30 O51.65 S10 -","- C384 H549.2 N120 O206.6 S40 -","4","1","","Vasconcelos, Alline Torquato; da Silva, Cameron Capeletti; Queiroz Júnior, Luiz Henrique Keng; Santana, Mábio João; Ferreira, Vinicius Sousa; Martins, Felipe Terra","Lamivudine as a Nucleoside Template To Engineer DNA-Like Double-Stranded Helices in Crystals","Crystal Growth & Design","2014","14","9","4691","","10.1021/cg500786m","","","0.71073","MoKα","","0.2233","0.0941","","","0.2306","0.3029","","","","","","0.986","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511808","12.365","0.013","12.487","0.013","13.01","0.014","90","","90","","90","","2009","4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Cl2 F6 Fe O2 -","- C20 H12 Cl2 F6 Fe O2 -","- C80 H48 Cl8 F24 Fe4 O8 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.71073","MoKα","","0.0899","0.0607","","","0.1322","0.1473","","","","","","1.05","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511809","6.0873","0.0004","8.9751","0.0009","16.8198","0.0015","90","","90","","90","","918.94","0.14","120","1","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 Co N2 O6 -","- C6 H10 Co N2 O6 -","- C24 H40 Co4 N8 O24 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","1.54184","CuKα","","0.0529","0.0474","","","0.1265","0.134","","","","","","0.826","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511821","4.571","0.004","10.174","0.008","19.653","0.016","90","","90","","90","","914","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H17 N O5 -","- C7 H17 N O5 -","- C28 H68 N4 O20 -","4","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","0.71073","MoKα","","0.0815","0.0549","","","0.1176","0.1261","","","","","","1.096","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511905","6.002","0.003","11.525","0.007","35.29","0.02","90","","90","","90","","2441","2","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Cl F N O4 -","- C28 H29 Cl F N O4 -","- C112 H116 Cl4 F4 N4 O16 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0548","0.0467","","","0.1271","0.1534","","","","","","1.11","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511935","9.8819","0.0004","24.9614","0.0009","25.3649","0.0009","90","","90","","90","","6256.7","0.4","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2C60 . 2.46CS2/0.54I2","","","- C122.46 I1.09 S4.91 -","- C122.458 I1.0844 S4.9156 -","- C489.831 I4.3376 S19.6624 -","4","1","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0449","0.0412","","","0.1011","0.1037","","","","","","1.05","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511949","5.4698","0.0002","5.5479","0.0002","31.0882","0.0009","90","","90","","90","","943.4","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cl2 Mn O6 Sb4 -","- Cl2 Mn O6 Sb4 -","- Cl8 Mn4 O24 Sb16 -","4","1","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71069","MoKα","","0.0413","0.0306","","","0.0429","0.0443","","","","","","0.872","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511993","7.704","0.001","12.545","0.002","15.068","0.003","90","","90","","90","","1456.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 Cl2 F5 O S -","- C13 H5 Cl2 F5 O S -","- C52 H20 Cl8 F20 O4 S4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Cardellicchio, Cosimo","Structural Motifs in Enantiopure Halogenated Aryl Benzyl Sulfoxides: Effect of Fluorine Substitution","Crystal Growth & Design","2014","14","11","5442","","10.1021/cg5006117","","","0.71073","MoKα","","0.1144","0.0633","","","0.1873","0.2628","","","","","","1.041","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511994","7.72","0.0005","12.5368","0.0009","15.0423","0.0006","90","","90","","90","","1455.86","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 Cl2 F5 O S -","- C13 H5 Cl2 F5 O S -","- C52 H20 Cl8 F20 O4 S4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Cardellicchio, Cosimo","Structural Motifs in Enantiopure Halogenated Aryl Benzyl Sulfoxides: Effect of Fluorine Substitution","Crystal Growth & Design","2014","14","11","5442","","10.1021/cg5006117","","","0.71073","MoKα","","0.0691","0.0418","","","0.0894","0.1006","","","","","","1.064","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4512093","14.253","0.003","17.358","0.004","24.575","0.005","90","","90","","90","","6080","2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N4 Ni O7 S -","- C30 H28 N4 Ni O7 S -","- C240 H224 N32 Ni8 O56 S8 -","8","2","","do Pim, Walace D.; Simões, Tatiana R. G.; Oliveira, Willian X. C.; Fernandes, Isabella R. A.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Pereira, Cynthia L. M.","Influence of Copper(II) and Nickel(II) Ions in the Topology of Systems Based on a Flexible Bis-Oxamate and Bipyridine Building Blocks","Crystal Growth & Design","2014","14","11","5929","","10.1021/cg501134y","","","1.5418","CuKα","","0.0935","0.0706","","","0.168","0.1869","","","","","","1.025","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512143","10.225","0.0003","11.4024","0.0003","53.2811","0.0014","90","","90","","90","","6212","0.3","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monoammonium glicyrrhizinate 3.0 DMF 6.53 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt water/DMF solvate","","- C51 H99.06 N4 O25.53 -","- C51 H98 N4 O25.52 -","- C204 H392 N16 O102.08 -","4","1","","Tykarska, Ewa; Dutkiewicz, Zbigniew; Baranowski, Daniel; Gdaniec, Zofia; Gdaniec, Maria","Effect of Neighbors on the Conformational Preferences of Glycosidic Linkages in Glycyrrhizic Acid and Its Mono- and Dideprotonated Forms: X-ray, NMR, and Computational Studies","Crystal Growth & Design","2014","14","11","5871","","10.1021/cg5010962","","","1.54184","CuKα","","0.0967","0.0951","","","0.2624","0.2639","","","","","","1.078","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512262","12.0078","0.0003","12.0175","0.0004","22.5442","0.0006","90","","90","","90","","3253.21","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Ag4 I6 N4 -","- C18 H22 Ag4 I6 N4 -","- C72 H88 Ag16 I24 N16 -","4","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0485","0.0372","","","0.0675","0.0728","","","","","","1.014","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512263","11.83328","0.00017","11.9072","0.0002","22.0907","0.0003","90","","90","","90","","3112.61","0.08","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Ag4 I6 N4 -","- C18 H22 Ag4 I6 N4 -","- C72 H88 Ag16 I24 N16 -","4","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0244","0.023","","","0.0435","0.0441","","","","","","1.046","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512264","11.9385","0.0007","12.6709","0.0006","23.1557","0.0011","90","","90","","90","","3502.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Ag4 I6 N4 -","- C20 H26 Ag4 I6 N4 -","- C80 H104 Ag16 I24 N16 -","4","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.0634","0.0474","","","0.1051","0.1142","","","","","","1.018","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512265","12.2482","0.001","12.8858","0.0011","23.2946","0.0013","90","","90","","90","","3676.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Ag4 I6 N4 -","- C22 H30 Ag4 I6 N4 -","- C88 H120 Ag16 I24 N16 -","4","1","","Shen, Junju; Zhang, Caifeng; Yu, Tanlai; An, Li; Fu, Yunlong","Structural and Functional Modulation of Five 4-Cyanopyridinium Iodoargentates Built Up from Cubane-like Ag4I4Nodes","Crystal Growth & Design","2014","14","12","6337","","10.1021/cg5010769","","","0.71073","MoKα","","0.1011","0.0564","","","0.1117","0.1345","","","","","","1.023","","","","has coordinates","179669","2020-10-21","18:00:00",""
"4512442","9.599","0.007","13.287","0.01","25.015","0.019","90","","90","","90","","3190","4","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H28 S4 -","- C38 H28 S4 -","- C152 H112 S16 -","4","1","","Mamada, Masashi; Katagiri, Hiroshi; Sakanoue, Tomo; Tokito, Shizuo","Characterization of New Rubrene Analogues with Heteroaryl Substituents","Crystal Growth & Design","2015","15","1","442","","10.1021/cg501519a","","","0.71075","MoKα","","0.0917","0.0777","","","0.1649","0.1748","","","","","","1.141","","","","has coordinates,has disorder","179671","2020-10-21","18:00:00",""
"4512456","12.878","0.017","15.68","0.02","19.97","0.03","90","","90","","90","","4032","10","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F4 N O4 -","- C22 H19 F4 N O4 -","- C176 H152 F32 N8 O32 -","8","2","","Avidan-Shlomovich, Shlomit; Ghosh, Harisadhan; Szpilman, Alex M.","Synthetic and Mechanistic Study of the Catalytic Enantioselective Preparation of Primary β-Amino Ketones from Enones and a Fluorinated Gabriel Reagent","ACS Catalysis","2015","5","1","336","","10.1021/cs501744e","","x-ray","1.54178","CuKα","","0.0238","0.0233","","","0.0603","0.0605","","","","","","1.061","","","","has coordinates","179671","2020-10-21","18:00:00",""
"4512511","11.209","0.0004","11.6194","0.0004","37.5809","0.0014","90","","90","","90","","4894.6","0.3","183","","183","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55 H46 F3 N2 O7 P2 Re S -","- C55 H46 F3 N2 O7 P2 Re S -","- C220 H184 F12 N8 O28 P8 Re4 S4 -","4","1","","Liu, Jinyong; Choe, Jong Kwon; Wang, Yin; Shapley, John R.; Werth, Charles J.; Strathmann, Timothy J.","Bioinspired Complex-Nanoparticle Hybrid Catalyst System for Aqueous Perchlorate Reduction: Rhenium Speciation and Its Influence on Catalyst Activity","ACS Catalysis","2015","5","2","511","","10.1021/cs501286w","","","1.54178","CuKα","","0.0348","0.0329","","","0.0825","0.0843","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4512529","13.869","0.0002","16.834","0.0002","16.985","0.0002","90","","90","","90","","3965.5","0.09","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H40 F4 N3 O P Ru -","- C45 H40 F4 N3 O P Ru -","- C180 H160 F16 N12 O4 P4 Ru4 -","4","1","","McKay, David; Riddlestone, Ian M.; Macgregor, Stuart A.; Mahon, Mary F.; Whittlesey, Michael K.","Mechanistic Study of Ru-NHC-Catalyzed Hydrodefluorination of Fluoropyridines: The Influence of the NHC on the Regioselectivity of C‒F Activation and Chemoselectivity of C‒F versus C‒H Bond Cleavage","ACS Catalysis","2015","5","2","776","","10.1021/cs501644r","","","0.71073","MoKα","","0.0337","0.0279","","","0.061","0.0635","","","","","","1.063","","","","has coordinates,has disorder","179672","2020-10-21","18:00:00",""
"4512572","8.8106","0.0003","9.3624","0.0003","24.5159","0.0007","90","","90","","90","","2022.28","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N4 O4 -","- C23 H18 N4 O4 -","- C92 H72 N16 O16 -","4","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0761","0.0578","","","0.1729","0.1856","","","","","","1.071","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512576","11.2039","0.0004","16.661","0.0007","20.729","0.0009","90","","90","","90","","3869.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H37 N7 O14 S -","- C39 H37 N7 O14 S -","- C156 H148 N28 O56 S4 -","4","1","","Nath, Jayanta K.; Kirillov, Alexander M.; Baruah, Jubaraj B.","Synthesis, Structure, and Topological Studies of Solvates and Salts of a Chiral Zwitterionic HostN-(2-Imidazol-5-yl-1-carboxyethyl)-1,8-naphthalimide","Crystal Growth & Design","2015","15","2","737","","10.1021/cg5018054","","","0.71073","MoKα","","0.0556","0.0433","","","0.1035","0.1143","","","","","","1.015","","","","has coordinates","179672","2020-10-21","18:00:00",""
"4512629","6.9604","0.0006","8.9624","0.0008","21.6124","0.0019","90","","90","","90","","1348.2","0.2","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0381","0.0373","","","0.0984","0.0991","","","","","","1.079","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512630","6.9607","0.0002","8.9631","0.0003","21.6081","0.0007","90","","90","","90","","1348.12","0.07","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H17 B10 N O -","- C8 H17 B10 N O -","- C32 H68 B40 N4 O4 -","4","1","","Tsang, Min Ying; Di Salvo, Florencia; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Choquesillo-Lazarte, Duane; Vanthuyne, Nicolas","Is Molecular Chirality Connected to Supramolecular Chirality? The Particular Case of Chiral 2-Pyridyl Alcohols","Crystal Growth & Design","2015","15","2","935","","10.1021/cg501748x","","","1.54178","CuKα","","0.0456","0.0452","","","0.1192","0.1199","","","","","","1.071","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512634","7.349","0.0007","18.363","0.0018","18.6054","0.0018","90","","90","","90","","2510.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(bes)(phe)","beta-estradiol:phenanthrene 1:1","","- C32 H34 O2 -","- C32 H34 O2 -","- C128 H136 O8 -","4","1","","Ardila-Fierro, Karen J.; André, Vânia; Tan, Davin; Duarte, M. Teresa; Lancaster, Robert W.; Karamertzanis, Panagiotis G.; Friščić, Tomislav","Molecular Recognition of Steroid Hormones in the Solid State: Stark Differences in Cocrystallization of β-Estradiol and Estrone","Crystal Growth & Design","2015","15","3","1492","","10.1021/cg501865h","","","0.71073","MoKα","","0.0411","0.037","","","0.0966","0.0997","","","","","","1.053","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512635","7.395","0.008","18.402","0.019","18.563","0.019","90","","90","","90","","2526","5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(bes)bhq)","beta-estradiol:benzo[h]quinoline 1:1","","- C31 H33 N O2 -","- C31 H33 N O2 -","- C124 H132 N4 O8 -","4","1","","Ardila-Fierro, Karen J.; André, Vânia; Tan, Davin; Duarte, M. Teresa; Lancaster, Robert W.; Karamertzanis, Panagiotis G.; Friščić, Tomislav","Molecular Recognition of Steroid Hormones in the Solid State: Stark Differences in Cocrystallization of β-Estradiol and Estrone","Crystal Growth & Design","2015","15","3","1492","","10.1021/cg501865h","","","0.71073","MoKα","","0.0452","0.0366","","","0.0861","0.0914","","","","","","1.062","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512636","7.4099","0.0004","15.8244","0.0009","19.9836","0.0012","90","","90","","90","","2343.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(bes)(dmn)","beta-estradiol:1,2-dimethylnaphthalene 1:1","","- C30 H36 O2 -","- C30 H36 O2 -","- C120 H144 O8 -","4","1","","Ardila-Fierro, Karen J.; André, Vânia; Tan, Davin; Duarte, M. Teresa; Lancaster, Robert W.; Karamertzanis, Panagiotis G.; Friščić, Tomislav","Molecular Recognition of Steroid Hormones in the Solid State: Stark Differences in Cocrystallization of β-Estradiol and Estrone","Crystal Growth & Design","2015","15","3","1492","","10.1021/cg501865h","","","0.71073","MoKα","","0.0414","0.0371","","","0.0898","0.0927","","","","","","1.023","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512738","3.98635","0.00009","9.2709","0.0002","25.0901","0.0006","90","","90","","90","","927.26","0.04","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 Br2 N S2 -","- C7 H5 Br2 N S2 -","- C28 H20 Br8 N4 S8 -","4","1","","Koskinen, Laura; Jääskeläinen, Sirpa; Hirva, Pipsa; Haukka, Matti","Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems","Crystal Growth & Design","2015","15","3","1160","","10.1021/cg501482u","","","1.54184","CuKα","","0.0246","0.0237","","","0.0588","0.0596","","","","","","1.05","","","","has coordinates","179675","2020-10-21","18:00:00",""
"4512823","5.499","0.0004","9.3162","0.0009","21.4233","0.0013","90","","90","","90","","1097.51","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 Ag N3 O4 -","- C9 H8 Ag N3 O4 -","- C36 H32 Ag4 N12 O16 -","4","1","","Baena, María J.; Coco, Silverio; Espinet, Pablo","The Amide Group as Modulator of Crystalline and Liquid Crystalline Structures in Isocyano-Alkylanilide Silver(I) Complexes","Crystal Growth & Design","2015","15","4","1611","","10.1021/cg501160s","","","0.71073","MoKα","","0.0588","0.0403","","","0.0777","0.0885","","","","","","1.134","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512851","5.7381","0.0003","16.008","0.0007","28.0274","0.0013","90","","90","","90","","2574.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N2 O S -","- C15 H12 N2 O S -","- C120 H96 N16 O8 S8 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of Thiazole-Derived Imines Connected to Hydroxyaromatics","Crystal Growth & Design","2015","15","4","1843","","10.1021/cg501882v","","","0.71073","MoKα","","0.0595","0.046","","","0.1018","0.1112","","","","","","1.093","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512852","16.9742","0.0009","17.1155","0.0008","50.282","0.003","90","","90","","90","","14608","1.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H81 F12 Fe2 N9 O18 S4 -","- C58 H81 F12 Fe2 N9 O18 S4 -","- C464 H648 F96 Fe16 N72 O144 S32 -","8","2","","Lyakin, Oleg Y.; Zima, Alexandra M.; Samsonenko, Denis G.; Bryliakov, Konstantin P.; Talsi, Evgenii P.","EPR Spectroscopic Detection of the Elusive FeV═O Intermediates in Selective Catalytic Oxofunctionalizations of Hydrocarbons Mediated by Biomimetic Ferric Complexes","ACS Catalysis","2015","5","5","2702","","10.1021/acscatal.5b00169","","x-ray","0.71073","MoKα","","0.0752","0.0644","","","0.1604","0.1657","","","","","","1.052","","","","has coordinates,has disorder","179676","2020-10-21","18:00:00",""
"4512868","7.7968","0.0009","11.8457","0.0013","15.6772","0.0017","90","","90","","90","","1447.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","1","","Commins, Patrick; Natarajan, Arunkumar; Tsai, Chao-Kuan; Khan, Saeed I.; Nath, Naba K.; Naumov, Panče; Garcia-Garibay, Miguel A.","Structure‒Reactivity Correlations and Mechanistic Understanding of the Photorearrangement and Photosalient Effect of α-Santonin and Its Derivatives in Solutions, Crystals, and Nanocrystalline Suspensions","Crystal Growth & Design","2015","15","4","1983","","10.1021/acs.cgd.5b00135","","","0.71073","MoKα","","0.0325","0.0303","","","0.0785","0.08","","","","","","1.032","","","","has coordinates","179676","2020-10-21","18:00:00",""
"4512894","5.8364","0.0003","11.1486","0.0004","19.6062","0.0008","90","","90","","90","","1275.73","0.1","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C60 H56 N8 S4 -","4","1","","Mandal, Amal Kumar; Sreejith, Sivaramapanicker; He, Tingchao; Maji, Swarup Kumar; Wang, Xiao-Jun; Ong, Shi Li; Joseph, James; Sun, Handong; Zhao, Yanli","Three-photon-excited luminescence from unsymmetrical cyanostilbene aggregates: morphology tuning and targeted bioimaging.","ACS nano","2015","9","5","4796","4805","10.1021/nn507072r","","","0.71073","MoKα","","0.0381","0.0338","","","0.0849","0.0978","","","","","","1.13","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4512903","10.3536","0.0013","14.9452","0.0014","16.4976","0.0019","90","","90","","90","","2552.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Clotrimazole-p-Coumaric acid","Clotrimazole-p-Coumaric acid","","- C31 H25 Cl N2 O3 -","- C31 H25 Cl N2 O3 -","- C124 H100 Cl4 N8 O12 -","4","1","","Mittapalli, Sudhir; Mannava, M. K. Chaitanya; Khandavilli, U. B. Rao; Allu, Suryanarayana; Nangia, Ashwini","Soluble Salts and Cocrystals of Clotrimazole","Crystal Growth & Design","2015","15","5","2493","","10.1021/acs.cgd.5b00268","","","0.71073","MoKα","","0.1953","0.0749","","","0.1005","0.1257","","","","","","0.829","","","","has coordinates","171491","2020-10-21","18:00:00",""
"4512927","9.0102","0.0002","10.8418","0.0003","19.2997","0.0005","90","","90","","90","","1885.33","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cu2 N6 S2 -","- C16 H16 Cu2 N6 S2 -","- C64 H64 Cu8 N24 S8 -","4","1","","Grifasi, Francesca; Chierotti, Michele R.; Garino, Claudio; Gobetto, Roberto; Priola, Emanuele; Diana, Eliano; Turci, Francesco","Solvent-Free Synthesis of Luminescent Copper(I) Coordination Polymers with Thiourea Derivatives","Crystal Growth & Design","2015","15","6","2929","","10.1021/acs.cgd.5b00352","","","0.71073","MoKα","","0.0405","0.0293","","","0.0644","0.07","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512930","9.8502","0.0008","13.6853","0.0011","16.4912","0.0013","90","","90","","90","","2223.1","0.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","2","","Bae, Han Yong; Song, Choong Eui","Unprecedented Hydrophobic Amplification in Noncovalent Organocatalysis “on Water”: Hydrophobic Chiral Squaramide Catalyzed Michael Addition of Malonates to Nitroalkenes","ACS Catalysis","2015","5","6","3613","","10.1021/acscatal.5b00685","","","0.71073","MoKα","","0.0985","0.0635","","","0.16","0.1974","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513027","7.2425","0.0008","15.4541","0.0017","17.01","0.0018","90","","90","","90","","1903.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O -","- C23 H24 Br N O -","- C92 H96 Br4 N4 O4 -","4","1","","Hu, Haoxiang; Meng, Chunna; Dong, Yun; Li, Xin; Ye, Jinxing","Catalytic Asymmetric Formal Aza-Diels‒Alder Reactions of α,β-Unsaturated Ketones and 3H-Indoles","ACS Catalysis","2015","5","6","3700","","10.1021/acscatal.5b00680","","","0.71073","MoKα","","0.0515","0.0378","","","0.0836","0.0885","","","","","","0.973","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513083","5.5668","0.0009","9.7862","0.0017","11.706","0.002","90","","90","","90","","637.72","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9.83 N1.83 O4.17 -","- C4 H9.834 N1.834 O4.166 -","- C16 H39.336 N7.336 O16.664 -","4","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0284","0.0268","","","0.0702","0.0711","","","","","","1.101","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513088","9.779","0.002","11.699","0.002","5.5675","0.0012","90","","90","","90","","636.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9.82 N1.82 O4.18 -","- C4 H9.823 N1.823 O4.177 -","- C16 H39.292 N7.292 O16.708 -","4","1","","Belitzky, A.; Weissbuch, I.; Posner-Diskin, Y.; Lahav, M.; Lubomirsky, I.","Design of Pyroelectric Mixed Crystals Having a Varying Degree of Polarity: Thel-Asparagine·H2O/l-Aspartic Acid System","Crystal Growth & Design","2015","15","5","2445","","10.1021/acs.cgd.5b00230","","","0.71073","MoKα","","0.0343","0.0328","","","0.0829","0.0838","","","","","","1.142","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513122","9.1569","0.001","9.3909","0.001","28.384","0.003","90","","90","","90","","2440.8","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N O4 -","- C28 H33 N O4 -","- C112 H132 N4 O16 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.1001","0.0456","","","0.0987","0.1283","","","","","","1.018","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4513123","8.3291","0.0007","9.2616","0.0008","24.507","0.002","90","","90","","90","","1890.5","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State","Crystal Growth & Design","2015","15","5","2291","","10.1021/acs.cgd.5b00081","","","0.71073","MoKα","","0.0507","0.0387","","","0.0966","0.1116","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513177","9.7376","0.0019","15.325","0.003","22.994","0.005","90","","90","","90","","3431.4","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis trichloromethane tetrakis-(4-iodophenyl)ethylene","","- C28 H17 Cl6 I4 -","- C28 H17 Cl6 I4 -","- C112 H68 Cl24 I16 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0658","0.0427","","","0.1211","0.1714","","","","","","1.083","","","","has coordinates,has disorder","140065","2020-10-21","18:00:00",""
"4513180","9.3728","0.0019","14.762","0.003","21.871","0.004","90","","90","","90","","3026.1","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis methyl iodide tetrakis-(4-bromophenyl)ethylene","","- C28 H22 Br4 I2 -","- C28 H22 Br4 I2 -","- C112 H88 Br16 I8 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0709","0.0584","","","0.1728","0.1963","","","","","","1.056","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513183","9.3805","0.0004","15.3256","0.0006","21.0238","0.0008","90","","90","","90","","3022.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis dichloromethane tetrakis-(4-bromophenyl)ethylene","","- C28 H20 Br4 Cl4 -","- C28 H20 Br4 Cl4 -","- C112 H80 Br16 Cl16 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0477","0.0326","","","0.0622","0.0665","","","","","","1.02","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513184","9.5601","0.0019","15.112","0.003","22.597","0.005","90","","90","","90","","3264.6","1.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Bis methyl iodide tetrakis-(4-iodophenyl) ethylene","","- C28 H22 I6 -","- C28 H22 I6 -","- C112 H88 I24 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.049","0.0335","","","0.0636","0.0706","","","","","","1.045","","","","has coordinates,has disorder","140065","2020-10-21","18:00:00",""
"4513185","9.6916","0.0019","15.45","0.003","22.047","0.004","90","","90","","90","","3301.2","1.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis dichloromethane tetrakis-(4-iodophenyl)ethylene","","- C28 H20 Cl4 I4 -","- C28 H20 Cl4 I4 -","- C112 H80 Cl16 I16 -","4","1","","Amombo Noa, Francoise M.; Bourne, Susan A.; Nassimbeni, Luigi R.","Halogen Bonding in Host‒Guest Compounds: Structures and Kinetics of Enclathration and Desolvation","Crystal Growth & Design","2015","15","7","3271","","10.1021/acs.cgd.5b00402","","","0.71073","MoKα","","0.0784","0.0499","","","0.1441","0.2018","","","","","","1.146","","","","has coordinates","140065","2020-10-21","18:00:00",""
"4513213","6.8722","0.0006","11.2171","0.0011","33.051","0.003","90","","90","","90","","2547.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H20 N2 O2 S2 -","- C34 H20 N2 O2 S2 -","- C136 H80 N8 O8 S8 -","4","1","","Zeng, Xianghua; Chang, Shaoqing; Deng, Ke; Zhang, Junyong; Sun, Hongbin; Zeng, Qingdao; Xie, Jingli","Synthesis and Molecular Structures of BINOL Complexes: An STM Investigation of 2D Self-Assembly","Crystal Growth & Design","2015","15","7","3096","","10.1021/acs.cgd.5b00143","","","0.71073","MoKα","","0.1853","0.0746","","","0.079","0.1103","","","","","","0.962","","","","has coordinates","140077","2020-10-21","18:00:00",""
"4513214","6.8359","0.0003","15.6377","0.0009","22.493","0.0012","90","","90","","90","","2404.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 N4 O2 S2 -","- C28 H18 N4 O2 S2 -","- C112 H72 N16 O8 S8 -","4","1","","Zeng, Xianghua; Chang, Shaoqing; Deng, Ke; Zhang, Junyong; Sun, Hongbin; Zeng, Qingdao; Xie, Jingli","Synthesis and Molecular Structures of BINOL Complexes: An STM Investigation of 2D Self-Assembly","Crystal Growth & Design","2015","15","7","3096","","10.1021/acs.cgd.5b00143","","","0.71","MoKα","","0.1794","0.0946","","","0.2627","0.3166","","","","","","1.096","","","","has coordinates","140077","2020-10-21","18:00:00",""
"4513215","7.8373","0.0003","11.1807","0.0003","28.7574","0.0008","90","","90","","90","","2519.91","0.14","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 B Fe P -","- C32 H28 B Fe P -","- C128 H112 B4 Fe4 P4 -","4","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71069","MoKα","","0.036","0.0316","","0.0368","0.0364","0.0364","","","","","","1.0497","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513218","10.843","0.0004","12.6988","0.0004","15.1797","0.0005","90","","90","","90","","2090.14","0.12","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Fe N O -","- C25 H29 Fe N O -","- C100 H116 Fe4 N4 O4 -","4","1","","Holstein, Philipp M.; Vogler, Maria; Larini, Paolo; Pilet, Guillaume; Clot, Eric; Baudoin, Olivier","Efficient Pd0-Catalyzed Asymmetric Activation of Primary and Secondary C‒H Bonds Enabled by Modular Binepine Ligands and Carbonate Bases","ACS Catalysis","2015","5","7","4300","","10.1021/acscatal.5b00898","","","0.71073","MoKα","","0.036","0.0309","","0.033","0.0324","0.0323","","","","","","1.0256","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4513242","6.449","0.0012","7.905","0.002","25.9495","0.0013","90","","90","","90","","1322.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-iodosuccinimide/4-dimethylaminopyridine","","","- C11 H14 I N3 O2 -","- C11 H14 I N3 O2 -","- C44 H56 I4 N12 O8 -","4","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.0814","0.0406","","","0.0625","0.0718","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513359","7.8532","0.0004","18.8955","0.0008","22.8742","0.001","90","","90","","90","","3394.3","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H42.5 Cl2 Cu2 N6 O10.5 -","- C21 H42.5 Cl2 Cu2 N6 O10.5 -","- C84 H170 Cl8 Cu8 N24 O42 -","4","1","","Das, Lakshmi Kanta; Diaz, Carmen; Ghosh, Ashutosh","Antiferromagnetic Mixed-Valence Cu(I)‒Cu(II) Two-Dimensional Coordination Polymers Constructed by Double Oximato Bridged Cu(II) Dimers and CuISCN Based One-Dimensional Anionic Chains","Crystal Growth & Design","2015","15","8","3939","","10.1021/acs.cgd.5b00560","","","0.71073","MoKα","","0.0774","0.0631","","","0.181","0.1922","","","","","","1.039","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"4513399","6.9705","0.0003","7.7622","0.0004","25.4745","0.0012","90","","90","","90","","1378.33","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0392","0.035","","","0.0773","0.08","","","","","","1.072","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513400","7.0276","0.0004","7.7445","0.0005","25.6078","0.0013","90","","90","","90","","1393.71","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0481","0.036","","","0.0834","0.0898","","","","","","0.964","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513401","7.1806","0.0006","7.7128","0.0007","25.267","0.002","90","","90","","90","","1399.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.063","0.0422","","","0.0822","0.0965","","","","","","1.035","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513402","5.1707","0.0005","13.2714","0.0012","20.434","0.002","90","","90","","90","","1402.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0684","0.0474","","","0.0943","0.1043","","","","","","1.069","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513403","5.2563","0.0005","9.7698","0.0012","26.617","0.003","90","","90","","90","","1366.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","x-ray","0.71073","MoKα","","0.0937","0.0653","","","0.1008","0.1095","","","","","","1.126","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513404","5.1883","0.0006","9.8853","0.001","27.403","0.003","90","","90","","90","","1405.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","x-ray","0.71073","MoKα","","0.0624","0.0451","","","0.1012","0.1121","","","","","","0.898","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513407","5.4131","0.0002","13.2515","0.0006","18.5144","0.0009","90","","90","","90","","1328.07","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","1.54184","CuKα","","0.0418","0.0358","","","0.0995","0.1055","","","","","","1.064","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513408","5.2034","0.0001","9.7982","0.0002","26.4764","0.0005","90","","90","","90","","1349.87","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","1.54184","CuKα","","0.0334","0.0317","","","0.0825","0.084","","","","","","1.058","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513409","5.26","0.0003","9.7112","0.0005","26.707","0.002","90","","90","","90","","1364.22","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0517","0.0379","","","0.0768","0.0822","","","","","","1.004","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513410","5.232","0.0004","13.79","0.0013","18.6379","0.0017","90","","90","","90","","1344.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","","George, Fanny; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Structural Investigation of Substituent Effect on Hydrogen Bonding in (S)-Phenylglycine Amide Benzaldimines","Crystal Growth & Design","2015","15","8","4005","","10.1021/acs.cgd.5b00621","","","0.71073","MoKα","","0.0544","0.0509","","","0.1474","0.1502","","","","","","1.171","","","","has coordinates","154557","2020-10-21","18:00:00",""
"4513439","12.3766","0.0018","16.424","0.002","28.578","0.004","90","","90","","90","","5809.1","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H47 N4 O7 -","- C54 H47 N4 O7 -","- C216 H188 N16 O28 -","4","1","","Alcaide, Benito; Almendros, Pedro; Fernández, Israel; Martín-Montero, Raúl; Martínez-Peña, Francisco; Ruiz, M. Pilar; Torres, M. Rosario","Gold-Catalyzed Reactivity Reversal of Indolizidinone-Tethered β-Amino Allenes Controlled by the Stereochemistry","ACS Catalysis","2015","5","8","4842","","10.1021/acscatal.5b01061","","","0.71073","MoKα","","0.1916","0.082","","","0.1624","0.1748","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513442","6.1068","0.0003","15.2343","0.0008","18.4646","0.001","90","","90","","90","","1717.81","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 B F4 N -","- C21 H16 B F4 N -","- C84 H64 B4 F16 N4 -","4","1","","Luo, Ching-Zong; Gandeepan, Parthasarathy; Wu, Yun-Ching; Tsai, Chia-Hung; Cheng, Chien-Hong","Cooperative C(sp3)‒H and C(sp2)‒H Activation of 2-Ethylpyridines by Copper and Rhodium: A Route toward Quinolizinium Salts","ACS Catalysis","2015","5","8","4837","","10.1021/acscatal.5b01244","","","0.71073","MoKα","","0.043","0.0354","","","0.1028","0.1317","","","","","","1.136","","","","has coordinates","154541","2020-10-21","18:00:00",""
"4513467","5.66","0.0004","18.8049","0.0016","19.465","0.0013","90","","90","","90","","2071.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N4 O4 -","- C21 H28 N4 O4 -","- C84 H112 N16 O16 -","4","1","","Kamali, Naghmeh; Aljohani, Marwah; McArdle, Patrick; Erxleben, Andrea","Hydrogen Bonding Networks and Solid-State Conversions in Benzamidinium Salts","Crystal Growth & Design","2015","15","8","3905","","10.1021/acs.cgd.5b00529","","","0.71073","MoKα","","0.0957","0.0428","","","0.0723","0.087","","","","","","0.929","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513486","7.7957","0.0002","11.9367","0.0003","18.6042","0.0005","90","","90","","90","","1731.21","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br Li N2 O3 -","- C17 H20 Br Li N2 O3 -","- C68 H80 Br4 Li4 N8 O12 -","4","1","","Ziach, Krzysztof; Jurczak, Janusz","Chiral Crystals from Dynamic Combinatorial Libraries of Achiral Macrocyclic Imines","Crystal Growth & Design","2015","15","9","4372","","10.1021/acs.cgd.5b00658","","","0.71073","MoKα","","0.0138","0.0131","","","0.0336","0.0337","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513520","11.553","0.006","19.825","0.003","25.184","0.004","90","","90","","90","","5768","3","293","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 I9 N6 O6 Pb3 -","- C30 I9 N6 O6 Pb3 -","- C120 I36 N24 O24 Pb12 -","4","1","","Eppel, Sagi; Fridman, Natalia; Frey, Gitti","Amide-Templated Iodoplumbates: Extending Lead-Iodide Based Hybrid Semiconductors","Crystal Growth & Design","2015","15","9","4363","","10.1021/acs.cgd.5b00655","","","0.71073","MoKα","","0.0826","0.0759","","","0.1901","0.1954","","","","","","1.0513","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4513559","4.1385","0.0004","17.8868","0.0019","20.726","0.003","90","","90","","90","","1534.2","0.3","171","","171","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(4-Bromophenyl)indolizino[3,2-c]quinoline","","- C21 H13 Br N2 -","- C21 H13 Br N2 -","- C84 H52 Br4 N8 -","4","1","","Park, Sujin; Kwon, Dah In; Lee, Jeeyeon; Kim, Ikyon","When Indolizine Meets Quinoline: Diversity-Oriented Synthesis of New Polyheterocycles and Their Optical Properties.","ACS combinatorial science","2015","17","8","459","469","10.1021/acscombsci.5b00031","","","1.54178","CuKα","","0.1241","0.0951","","","0.2494","0.2696","","","","","","1.25","","","","has coordinates","153917","2020-10-21","18:00:00",""
"4513610","8.1602","0.0016","11.357","0.002","20.59","0.004","90","","90","","90","","1908.2","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen","Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition","ACS Catalysis","2015","5","10","6016","","10.1021/acscatal.5b01685","","","0.71073","MoKα","","0.0622","0.0502","","","0.1366","0.1478","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513645","10.3006","0.0011","15.9958","0.0018","19.225","0.002","90","","90","","90","","3167.6","0.6","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N5 -","- C16 H19 N5 -","- C128 H152 N40 -","8","2","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.","One- and Two-Step Self-Assembly Processes in Zn(II) Supramolecular Frameworks with Ditopic Bis(pyrazolyl)methane Ligands. Chiral Recognition and Formation of Cyclic Helicates","Crystal Growth & Design","2015","15","11","5174","","10.1021/acs.cgd.5b01150","","","0.71073","MoKα","","0.1539","0.0621","","","0.1421","0.1785","","","","","","0.901","","","","has coordinates","170050","2020-10-21","18:00:00",""
"4513657","12.1813","0.0006","12.9222","0.0005","16.9425","0.0007","90","","90","","90","","2666.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N O6 S -","- C29 H27 N O6 S -","- C116 H108 N4 O24 S4 -","4","1","","Hao, Xiaoyu; Lin, Lili; Tan, Fei; Yin, Chengkai; Liu, Xiaohua; Feng, Xiaoming","Ligand Control of Diastereodivergency in Asymmetric Inverse Electron Demand Diels‒Alder Reaction","ACS Catalysis","2015","5","10","6052","","10.1021/acscatal.5b01719","","","0.71073","MoKα","","0.0995","0.0553","","","0.1001","0.12","","","","","","1","","","","has coordinates","159577","2020-10-21","18:00:00",""
"4513677","10.0194","0.0008","14.8755","0.0012","33.308","0.002","90","","90","","90","","4964.3","0.6","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cr N O4 P -","- C25 H28 Cr N O4 P -","- C200 H224 Cr8 N8 O32 P8 -","8","2","","Radcliffe, James E.; Batsanov, Andrei S.; Smith, David M.; Scott, John A.; Dyer, Philip W.; Hanton, Martin J.","Phosphanyl Methanimine (PCN) Ligands for the Selective Trimerization/Tetramerization of Ethylene with Chromium","ACS Catalysis","2015","5","12","7095","","10.1021/acscatal.5b02106","","x-ray","0.71073","MoKα","","0.079","0.0527","","","0.1137","0.1274","","","","","","1.021","","","","has coordinates,has disorder","173567","2020-10-21","18:00:00",""
"4513684","15.4775","0.0009","19.1313","0.0012","25.544","0.0015","90","","90","","90","","7563.7","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H83 N19 O19 Zn5 -","- C56 H83 N19 O19 Zn5 -","- C224 H332 N76 O76 Zn20 -","4","1","","Deng, Mingli; Yang, Feilong; Yang, Pan; Li, Zhouxun; Sun, Jinyu; Yang, Yongtai; Chen, Zhenxia; Weng, Linhong; Ling, Yun; Zhou, Yaming","A Series of Metal‒Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2Adsorption and Separation","Crystal Growth & Design","2015","15","12","5794","","10.1021/acs.cgd.5b01155","","","0.71073","MoKα","","0.0521","0.0435","","","0.1265","0.1333","","","","","","1.078","","","","has coordinates","170783","2020-10-21","18:00:00",""
"4513750","9.8811","0.0005","10.2565","0.0005","15.4749","0.0007","90","","90","","90","","1568.31","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O S -","- C19 H16 N2 O S -","- C76 H64 N8 O4 S4 -","4","1","","Izquierdo, Javier; Pericàs, Miquel A.","A Recyclable, Immobilized Analogue of Benzotetramisole for Catalytic Enantioselective Domino Michael Addition/Cyclization Reactions in Batch and Flow","ACS Catalysis","2016","6","1","348","","10.1021/acscatal.5b02121","","","0.71073","MoKα","","0.0424","0.0366","","","0.0844","0.0877","","","","","","1.02","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4513755","5.92801","0.00016","7.5738","0.0002","23.6364","0.0005","90","","90","","90","","1061.22","0.05","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 F7 -","- C13 H5 F7 -","- C52 H20 F28 -","4","1","","Meyer, Andreas U.; Slanina, Tomáš; Yao, Chang-Jiang; König, Burkhard","Metal-Free Perfluoroarylation by Visible Light Photoredox Catalysis","ACS Catalysis","2016","6","1","369","","10.1021/acscatal.5b02410","","x-ray","1.54184","CuKα","","0.0275","0.0266","","","0.0713","0.0724","","","","","","1.044","","","","has coordinates","175761","2020-10-21","18:00:00",""
"4513757","10.038","0.002","15.921","0.003","20.131","0.004","90","","90","","90","","3217.2","1.1","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Br N O3 -","- C37 H40 Br N O3 -","- C148 H160 Br4 N4 O12 -","4","1","","He, Fu-Sheng; Jin, Jing-Hai; Yang, Zhong-Tao; Yu, Xingxin; Fossey, John S.; Deng, Wei-Ping","Direct Asymmetric Synthesis of β-Bis-Aryl-α-Amino Acid Esters via Enantioselective Copper-Catalyzed Addition ofp-Quinone Methides","ACS Catalysis","2016","6","2","652","","10.1021/acscatal.5b02619","","","0.71073","MoKα","","0.0596","0.0415","","","0.089","0.0971","","","","","","1.004","","","","has coordinates","177386","2020-10-21","18:00:00",""
"4513783","11.0847","0.0008","13.0101","0.0009","27.0865","0.0018","90","","90","","90","","3906.2","0.5","147","2","147","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H43 Cl Fe N2 O P2 -","- C45 H43 Cl Fe N2 O P2 -","- C180 H172 Cl4 Fe4 N8 O4 P8 -","4","1","","Zuo, Weiwei; Prokopchuk, Demyan E.; Lough, Alan J.; Morris, Robert H.","Details of the Mechanism of the Asymmetric Transfer Hydrogenation of Acetophenone Using the Amine(imine)diphosphine Iron Precatalyst: The Base Effect and The Enantiodetermining Step","ACS Catalysis","2016","6","1","301","","10.1021/acscatal.5b01979","","","0.71073","MoKα","","0.1147","0.0581","","","0.0816","0.0967","","","","","","0.976","","","","has coordinates","175764","2020-10-21","18:00:00",""
"4513804","6.8744","0.0014","8.6699","0.0017","15.729","0.003","90","","90","","90","","937.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","","Pan, Bing; Liu, Bo; Yue, Erlin; Liu, Qingbin; Yang, Xinzheng; Wang, Zheng; Sun, Wen-Hua","A Ruthenium Catalyst with Unprecedented Effectiveness for the Coupling Cyclization of γ-Amino Alcohols and Secondary Alcohols","ACS Catalysis","2016","6","2","1247","","10.1021/acscatal.5b02638","","","0.71073","MoKα","","0.0424","0.0411","","","0.0982","0.0991","","","","","","1.056","","","","has coordinates","177387","2020-10-21","18:00:00",""
"4513814","6.4715","0.0003","12.2935","0.0005","16.0625","0.0007","90","","90","","90","","1277.89","0.1","193","2","193","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier","Correction to Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams","ACS Catalysis","2016","6","3","1565","","10.1021/acscatal.6b00198","","x-ray","0.71073","MoKα","","0.0331","0.0316","","","0.0959","0.0972","","","","","","1.182","","","","has coordinates","181421","2020-10-21","18:00:00",""
"4513828","6.5242","0.0007","18.975","0.002","29.829","0.003","90","","90","","90","","3692.7","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H63 N O5 S2 -","- C37 H63 N O5 S2 -","- C148 H252 N4 O20 S8 -","4","1","","Abrams, Rachel P.; Carroll, William L.; Woerpel, K. A.","Five-Membered Ring Peroxide Selectively Initiates Ferroptosis in Cancer Cells.","ACS chemical biology","2016","11","5","1305","1312","10.1021/acschembio.5b00900","","","0.71073","MoKα","","0.0792","0.0503","","","0.1008","0.1117","","","","","","1.036","","","","has coordinates","183551","2020-10-21","18:00:00",""
"4513839","7.32516","0.00019","13.4286","0.0003","19.6168","0.0006","90","","90","","90","","1929.64","0.09","119.99","0.1","119.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Wang, Gang; Liu, Xiaohua; Chen, Yushuang; Yang, Jian; Li, Jun; Lin, Lili; Feng, Xiaoming","Diastereoselective and Enantioselective Alleno-aldol Reaction of Allenoates with Isatins to Synthesis of Carbinol Allenoates Catalyzed by Gold","ACS Catalysis","2016","6","4","2482","","10.1021/acscatal.6b00294","","x-ray","1.54184","CuKα","","0.047","0.0453","","","0.1193","0.1215","","","","","","1.046","","","","has coordinates","181409","2020-10-21","18:00:00",""
"4513855","8.33","0.0001","21.758","0.0003","15.532","0.0002","90","","90","","90","","2815.08","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 F3 N3 O6 S -","- C29 H26 F3 N3 O6 S -","- C116 H104 F12 N12 O24 S4 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71073","MoKα","","0.0849","0.0466","","","0.1174","0.1374","","","","","","0.841","","","","has coordinates","181415","2020-10-21","18:00:00",""
"4513856","8.592","0.0002","11.328","0.0003","27.778","0.0005","90","","90","","90","","2703.64","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 N3 O6 S -","- C29 H29 N3 O6 S -","- C116 H116 N12 O24 S4 -","4","1","","Montesinos-Magraner, Marc; Vila, Carlos; Rendón-Patiño, Alejandra; Blay, Gonzalo; Fernández, Isabel; Muñoz, M. Carmen; Pedro, José R.","Organocatalytic Enantioselective Friedel‒Crafts Aminoalkylation of Indoles in the Carbocyclic Ring","ACS Catalysis","2016","6","4","2689","","10.1021/acscatal.6b00260","","","0.71073","MoKα","","0.1071","0.044","","","0.1128","0.1539","","","","","","0.744","","","","has coordinates","181415","2020-10-21","18:00:00",""
"4513858","7.23695","0.0001","9.22435","0.00011","23.1301","0.0003","90","","90","","90","","1544.08","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Ghosh, Avipsa; Walker, James A.; Ellern, Arkady; Stanley, Levi M.","Coupling Catalytic Alkene Hydroacylation and α-Arylation: Enantioselective Synthesis of Heterocyclic Ketones with α-Chiral Quaternary Stereocenters","ACS Catalysis","2016","6","4","2673","","10.1021/acscatal.6b00365","","x-ray","1.54184","CuKα","","0.0319","0.0295","","","0.0728","0.0751","","","","","","1.04","","","","has coordinates","181419","2020-10-21","18:00:00",""
"4513865","8.4103","0.0003","8.8487","0.0003","20.8277","0.0008","90","","90","","90","","1550","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","LM1NC377","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","x-ray","0.71073","MoKα","","0.0558","0.0417","","","0.0878","0.0943","","","","","","1.034","","","","has coordinates","188902","2020-10-21","18:00:00",""
"4513867","6.489","0.0012","7.157","0.0013","32.722","0.005","90","","90","","90","","1519.7","0.5","","","99.97","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 F O -","- C20 H19 F O -","- C80 H76 F4 O4 -","4","1","","Casanova, Noelia; Del Rio, Karina P.; García-Fandiño, Rebeca; Mascareñas, José L; Gulías, Moisés","Palladium(II)-Catalyzed Annulation between ortho-Alkenylphenols and Allenes. Key Role of the Metal Geometry in Determining the Reaction Outcome.","ACS catalysis","2016","6","5","3349","3353","10.1021/acscatal.6b00739","","","0.71073","MoKα","","0.0654","0.0516","","","0.1214","0.1304","","","","","","1.0323","","","","has coordinates","188902","2020-10-21","18:00:00",""
"4513874","14.4679","0.0011","15.6477","0.0011","23.5422","0.0018","90","","90","","90","","5329.7","0.7","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H79 F6 N Na O13 P -","- C46 H79 F6 N Na O13 P -","- C184 H316 F24 N4 Na4 O52 P4 -","4","1","","Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel","Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids.","ACS medicinal chemistry letters","2016","7","6","635","640","10.1021/acsmedchemlett.6b00079","","","0.71073","MoKα","","0.3259","0.0552","","","0.0797","0.1095","","","","","","0.715","","","","has coordinates","184926","2020-10-21","18:00:00",""
"4513878","9.0933","0.0002","20.0387","0.0004","23.2417","0.0005","90","","90","","90","","4235.05","0.16","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 O -","- C30 H20 N2 O -","- C240 H160 N16 O8 -","8","2","","Kumar, Dinesh; Vemula, Sandeep R.; Cook, Gregory R.","Merging C‒H Bond Functionalization with Amide Alcoholysis: En Route to 2-Aminopyridines","ACS Catalysis","2016","6","6","3531","","10.1021/acscatal.6b00728","","","1.54178","CuKα","","0.0427","0.035","","","0.0781","0.0832","","","","","","1.041","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4513886","4.8832","0.0003","15.6825","0.0011","19.696","0.0013","90","","90","","90","","1508.34","0.17","100","","99.99","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 F3 N3 O3 -","- C14 H16 F3 N3 O3 -","- C56 H64 F12 N12 O12 -","4","1","","Barron, Benedict J.; Wong, Wing-Tak; Chiu, Pauline; Hii, King Kuok","“Goldilocks Effect” of Water in Lewis-Brønsted Acid and Base Catalysis","ACS Catalysis","2016","6","7","4189","","10.1021/acscatal.6b00800","","x-ray","1.54178","CuKα","","0.043","0.0423","","","0.108","0.1087","","","","","","1.101","","","","has coordinates","184922","2020-10-21","18:00:00",""
"4513895","9.263","0.004","13.429","0.005","17.935","0.007","90","0","90","0","90","0","2231","1.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl2 Ir N3 -","- C20 H24 Cl2 Ir N3 -","- C80 H96 Cl8 Ir4 N12 -","4","1","","Bucci, Alberto; Menendez Rodriguez, Gabriel; Bellachioma, Gianfranco; Zuccaccia, Cristiano; Poater, Albert; Cavallo, Luigi; Macchioni, Alceo","An Alternative Reaction Pathway for Iridium-Catalyzed Water Oxidation Driven by Cerium Ammonium Nitrate (CAN)","ACS Catalysis","2016","6","7","4559","","10.1021/acscatal.6b01325","","","0.71069","MoKα","","0.0879","0.0581","","","0.1644","0.1707","","","","","","1.045","","","","has coordinates,has disorder","184924","2020-10-21","18:00:00",""
"4513912","8.9213","0.0001","9.9325","0.0001","20.8095","0.0003","90","","90","","90","","1843.95","0.04","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Zhuo, Chun-Xiang; Zhang, Xiao; You, Shu-Li","Enantioselective Synthesis of Pyrrole-Fused Piperazine and Piperazinone Derivatives via Ir-Catalyzed Asymmetric Allylic Amination","ACS Catalysis","2016","6","8","5307","","10.1021/acscatal.6b01585","","","1.54178","CuKα","","0.0274","0.0274","","","0.098","0.0984","","","","","","1.03","","","","has coordinates","186241","2020-10-21","18:00:00",""
"4513927","7.1807","0.0016","13.199","0.003","19.659","0.004","90","","90","","90","","1863.2","0.7","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl N3 O4 -","- C21 H20 Cl N3 O4 -","- C84 H80 Cl4 N12 O16 -","4","1","","Yang, Wu-Lin; Li, Chun-Yan; Qin, Wen-Jing; Tang, Fei-Fei; Yu, Xingxin; Deng, Wei-Ping","Cu(I)-Catalyzed Chemoselective and Stereoselective [3 + 3] Cycloaddition of Azomethine Ylides with 2-Indolylnitroethylenes: Facile Access to Highly Substituted Tetrahydro-γ-Carbolines","ACS Catalysis","2016","6","9","5685","","10.1021/acscatal.6b01596","","","0.71073","MoKα","","0.0408","0.0354","","","0.0851","0.0888","","","","","","1.025","","","","has coordinates","186249","2020-10-21","18:00:00",""
"4513928","8.6908","0.0004","10.3574","0.0004","13.9701","0.0006","90","","90","","90","","1257.51","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C68 H56 O8 -","4","1","","Janssen-Müller, Daniel; Fleige, Mirco; Schlüns, Danny; Wollenburg, Marco; Daniliuc, Constantin G.; Neugebauer, Johannes; Glorius, Frank","NHC-Catalyzed Enantioselective Dearomatizing Hydroacylation of Benzofurans and Benzothiophenes for the Synthesis of Spirocycles","ACS Catalysis","2016","6","9","5735","","10.1021/acscatal.6b01852","","","1.54178","CuKα","","0.037","0.0337","","","0.0797","0.0821","","","","","","1.071","","","","has coordinates","186246","2020-10-21","18:00:00",""
"4513936","8.0059","0.0011","12.7607","0.0017","18.742","0.003","90","","90","","90","","1914.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 I2 N2 -","- C20 H20 I2 N2 -","- C80 H80 I8 N8 -","4","1","","Yu, Xiao-Long; Kuang, Liping; Chen, Su; Zhu, Xiao-Long; Li, Zhong-Liang; Tan, Bin; Liu, Xin-Yuan","Counteranion-Controlled Unprecedented Diastereo- and Enantioselective Tandem Formal Povarov Reaction for Construction of Bioactive Octahydro-Dipyrroloquinolines","ACS Catalysis","2016","","","6182","","10.1021/acscatal.6b01492","","","0.71073","MoKα","","0.0347","0.0293","","","0.0723","0.0755","","","","","","1.023","","","","has coordinates","185871","2020-10-21","18:00:00",""
"4513947","8.7563","0.0006","18.1246","0.0015","18.7984","0.0016","90","","90","","90","","2983.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound29","compound29","","- C30 H38 Cl N3 O4 S2 -","- C30 H38 Cl N3 O4 S2 -","- C120 H152 Cl4 N12 O16 S8 -","4","1","","Purkey, Hans E.; Robarge, Kirk; Chen, Jinhua; Chen, Zhongguo; Corson, Laura B.; Ding, Charles Z.; DiPasquale, Antonio G.; Dragovich, Peter S.; Eigenbrot, Charles; Evangelista, Marie; Fauber, Benjamin P.; Gao, Zhenting; Ge, Hongxiu; Hitz, Anna; Ho, Qunh; Labadie, Sharada S.; Lai, Kwong Wah; Liu, Wenfeng; Liu, Yajing; Li, Chiho; Ma, Shuguang; Malek, Shiva; O'Brien, Thomas; Pang, Jodie; Peterson, David; Salphati, Laurent; Sideris, Steve; Ultsch, Mark; Wei, BinQing; Yen, Ivana; Yue, Qin; Zhang, Huihui; Zhou, Aihe","Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.","ACS medicinal chemistry letters","2016","7","10","896","901","10.1021/acsmedchemlett.6b00190","","","0.71073","MoKα","","0.0473","0.0411","","","0.0934","0.0965","","","","","","1.061","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4513963","5.45149","0.00006","15.7094","0.00012","38.6948","0.0003","90","","90","","90","","3313.81","0.05","180","0.14","180","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O4 S -","- C18 H19 N O4 S -","- C144 H152 N8 O32 S8 -","8","2","","Bizet, Vincent; Borrajo-Calleja, Gustavo M.; Besnard, Céline; Mazet, Clément","Direct Access to Furoindolines by Palladium-Catalyzed Intermolecular Carboamination","ACS Catalysis","2016","6","10","7183","","10.1021/acscatal.6b02238","","x-ray","1.54184","CuKα","","0.0348","0.0327","","","0.0789","0.0798","","","","","","1.065","","","","has coordinates","187886","2020-10-21","18:00:00",""
"4513972","6.0503","0.0007","14.698","0.002","18.444","0.003","90","","90","","90","","1640.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cl N -","- C22 H16 Cl N -","- C88 H64 Cl4 N4 -","4","1","","Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank","Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes","ACS Catalysis","2016","6","11","7652","","10.1021/acscatal.6b02392","","","1.54178","CuKα","","0.0557","0.0446","","","0.1024","0.1111","","","","","","0.977","","","","has coordinates","188904","2020-10-21","18:00:00",""
"4513973","5.7336","0.0001","16.8181","0.0005","17.4381","0.0006","90","","90","","90","","1681.53","0.08","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O -","- C23 H19 N O -","- C92 H76 N4 O4 -","4","1","","Kim, Ju Hyun; Greßies, Steffen; Boultadakis-Arapinis, Mélissa; Daniliuc, Constantin; Glorius, Frank","Rh(I)/NHC*-Catalyzed Site- and Enantioselective Functionalization of C(sp3)‒H Bonds Toward Chiral Triarylmethanes","ACS Catalysis","2016","6","11","7652","","10.1021/acscatal.6b02392","","","0.71073","MoKα","","0.0836","0.0638","","","0.1159","0.1269","","","","","","1.152","","","","has coordinates","188904","2020-10-21","18:00:00",""
"4513984","10.405","0.0004","14.2652","0.0006","14.6935","0.0006","90","","90","","90","","2180.95","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl N3 O2 -","- C24 H24 Cl N3 O2 -","- C96 H96 Cl4 N12 O8 -","4","1","","Bertuzzi, Giulio; Sinisi, Alessandro; Caruana, Lorenzo; Mazzanti, Andrea; Fochi, Mariafrancesca; Bernardi, Luca","Catalytic Enantioselective Addition of Indoles to ActivatedN-Benzylpyridinium Salts: Nucleophilic Dearomatization of Pyridines with Unusual C-4 Regioselectivity","ACS Catalysis","2016","6","10","6473","","10.1021/acscatal.6b01962","","","0.71073","MoKα","","0.0639","0.0466","","","0.1365","0.1719","","","","","","0.964","","","","has coordinates,has disorder","187793","2020-10-21","18:00:00",""
"4513994","15.431","0.005","16.964","0.005","23.348","0.007","90","","90","","90","","6112","3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 Cu2 N10 -","- C46 H52 Cu2 N10 -","- C184 H208 Cu8 N40 -","4","1","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.2579","0.1642","","","0.3988","0.4354","","","","","","1.354","","","","has coordinates","191331","2020-10-21","18:00:00",""
"4513996","9.4351","0.0016","12.256","0.002","13.14","0.002","90","","90","","90","","1519.5","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br O5 -","- C16 H17 Br O5 -","- C64 H68 Br4 O20 -","4","1","","Uyanik, Muhammet; Sasakura, Niiha; Mizuno, Masahiro; Ishihara, Kazuaki","Enantioselective Synthesis of Masked Benzoquinones Using Designer Chiral Hypervalent Organoiodine(III) Catalysis","ACS Catalysis","2016","","","872","","10.1021/acscatal.6b03380","","","0.71073","MoKα","","0.0293","0.0265","","","0.0641","0.0651","","","","","","1.005","","","","has coordinates","189522","2020-10-21","18:00:00",""
"4514005","11.309","0.002","19.897","0.004","26.934","0.005","90","","90","","90","","6061","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C74 H52 Cd2 N12 O8 -","- C74 H52 Cd2 N12 O8 -","- C296 H208 Cd8 N48 O32 -","4","1","","Zhao, Bei; Li, Na; Wang, Xi; Chang, Ze; Bu, Xian-He","Host-Guest Engineering of Coordination Polymers for Highly Tunable Luminophores Based on Charge Transfer Emissions.","ACS applied materials & interfaces","2017","","","","","10.1021/acsami.6b14554","","","0.71073","MoKα","","0.025","0.0233","","","0.0556","0.0567","","","","","","0.999","","","","has coordinates","190734","2020-10-21","18:00:00",""
"4514007","9.6788","0.0017","11.2486","0.0018","16.793","0.004","90","","90","","90","","1828.3","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H32 N2 O3 -","- C15 H32 N2 O3 -","- C60 H128 N8 O12 -","4","1","","Cañellas, Santiago; Ayats, Carles; Henseler, Andrea H.; Pericàs, Miquel A.","A Highly Active Polymer-Supported Catalyst for Asymmetric Robinson Annulations in Continuous Flow","ACS Catalysis","2017","","","","","10.1021/acscatal.6b03286","","","0.71073","MoKα","","0.0461","0.0378","","","0.0937","0.0985","","","","","","1.053","","","","has coordinates","190782","2020-10-21","18:00:00",""
"4514013","6.72474","0.00006","16.401","0.0002","17.4977","0.0002","90","","90","","90","","1929.86","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O3 -","- C25 H24 O3 -","- C100 H96 O12 -","4","1","","James, Jinju; Guiry, Patrick J.","Highly Enantioselective Construction of Sterically Hindered α-Allyl-α-Aryl Lactones via Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation","ACS Catalysis","2017","7","2","1397","","10.1021/acscatal.6b03355","","","1.54184","CuKα","","0.0292","0.0276","","","0.068","0.0692","","","","","","1.038","","","","has coordinates","191228","2020-10-21","18:00:00",""
"4514018","9.2408","0.0014","12.5092","0.0016","23.734","0.003","90","","90","","90","","2743.5","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 F N2 O5 S -","- C27 H37 F N2 O5 S -","- C108 H148 F4 N8 O20 S4 -","4","1","","Nadon, Jean-François; Rochon, Kristina; Grastilleur, Sébastien; Langlois, Guillaume; Dao, Thi Thanh Hà; Blais, Véronique; Guérin, Brigitte; Gendron, Louis; Dory, Yves L.","Synthesis of Gly-ψ[(Z)CF═CH]-Phe, a Fluoroalkene Dipeptide Isostere, and Its Incorporation into a Leu-enkephalin Peptidomimetic.","ACS chemical neuroscience","2017","8","1","40","49","10.1021/acschemneuro.6b00163","","","1.54178","CuKα","","0.0467","0.0416","","","0.0931","0.098","","","","","","1.178","","","","has coordinates","191233","2020-10-21","18:00:00",""
"4514055","10.9061","0.0007","12.6404","0.0008","28.3159","0.0018","90","","90","","90","","3903.6","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 N2 O5 S2 -","- C38 H36 N2 O5 S2 -","- C152 H144 N8 O20 S8 -","4","1","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0705","0.0499","","","0.1394","0.1485","","","","","","1.108","","","","has coordinates","192848","2020-10-21","18:00:00",""
"4514056","8.1166","0.0005","13.77","0.0008","15.4267","0.0009","90","","90","","90","","1724.17","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0498","0.0358","","","0.0875","0.0956","","","","","","1.069","","","","has coordinates","192849","2020-10-21","18:00:00",""
"4514071","9.5611","0.0008","9.7674","0.0007","44.019","0.003","90","","90","","90","","4110.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Br N2 O2 -","- C25 H19 Br N2 O2 -","- C200 H152 Br8 N16 O16 -","8","2","","Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea","ACS Catalysis","2017","7","4","2780","","10.1021/acscatal.7b00360","","","0.71073","MoKα","","0.0775","0.0567","","","0.1386","0.151","","","","","","1.033","","","","has coordinates","196109","2020-10-21","18:00:00",""
"4514072","6.2831","0.0005","10.506","0.0007","28.682","0.002","90","","90","","90","","1893.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","","Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea","ACS Catalysis","2017","7","4","2780","","10.1021/acscatal.7b00360","","","0.71073","MoKα","","0.0658","0.049","","","0.1051","0.1107","","","","","","1.105","","","","has coordinates","196109","2020-10-21","18:00:00",""
"4514078","7.388","0.01","9.215","0.013","24.53","0.03","90","","90","","90","","1670","4","298","2","298.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H0.25 N O6 -","- C18 H17 N O6 -","- C72 H68 N4 O24 -","4","1","","Xing, Pengyao; Li, Peizhou; Chen, Hongzhong; Hao, Aiyou; Zhao, Yanli","Understanding Pathway Complexity of Organic Micro/Nanofiber Growth in Hydrogen-Bonded Coassembly of Aromatic Amino Acids.","ACS nano","2017","11","4","4206","4216","10.1021/acsnano.7b01161","","","0.71073","MoKα","","0.0766","0.0478","","","0.1306","0.1652","","","","","","1.051","","","","has coordinates","196110","2020-10-21","18:00:00",""
"4514096","5.9658","0.0002","6.8587","0.0003","26.877","0.001","90","","90","","90","","1099.74","0.07","293.52","0.1","293.52","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 O5 -","- C12 H10 O5 -","- C48 H40 O20 -","4","1","","Ji, Jie; Lin, Lili; Tang, Qiong; Kang, Tengfei; Liu, Xiaohua; Feng, Xiaoming","Highly Efficient Asymmetric Synthesis of Chiral γ-Alkenyl Butenolides Catalyzed by Chiral N,N′-Dioxide‒Scandium(III) Complexes","ACS Catalysis","2017","7","6","3763","","10.1021/acscatal.7b00590","","x-ray","1.54184","CuKα","","0.0529","0.0509","","","0.1384","0.1424","","","","","","1.072","","","","has coordinates","197390","2020-10-21","18:00:00",""
"4514107","8.8677","0.0002","10.0871","0.0002","14.1044","0.0002","90","","90","","90","","1261.63","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G.","Tertiary Amine-Derived Ionic Liquid-Supported Squaramide as a Recyclable Organocatalyst for Noncovalent “On Water” Catalysis","ACS Catalysis","2017","7","4","2981","","10.1021/acscatal.7b00562","","","1.54178","CuKα","","0.0235","0.0234","","","0.0576","0.0577","","","","","","1.005","","","","has coordinates","195921","2020-10-21","18:00:00",""
"4514127","5.3526","0.0011","10.014","0.002","22.411","0.004","90","","90","","90","","1201.3","0.4","25","","12","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Malaspina, Lorraine A.; Edwards, Alison J.; Woińska, Magdalena; Jayatilaka, Dylan; Turner, Michael J.; Price, Jason R.; Herbst-Irmer, Regine; Sugimoto, Kunihisa; Nishibori, Eiji; Grabowsky, Simon","Predicting the Position of the Hydrogen Atom in the Short Intramolecular Hydrogen Bond of the Hydrogen Maleate Anion from Geometric Correlations","Crystal Growth & Design","2017","17","7","3812","","10.1021/acs.cgd.7b00390","","neutron","0.85","neutron","","0.0449","0.0425","","0.053","0.0527","0.052","","","","","","0.9999","","","","has coordinates","199568","2020-10-21","18:00:00",""
"4514140","8.8643","0.0008","17.5771","0.0008","22.5359","0.0008","90","","90","","90","","3511.3","0.4","106.3","","106.3","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 F6 N2 O4 -","- C42 H30 F6 N2 O4 -","- C168 H120 F24 N8 O16 -","4","1","","Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao","Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita‒Baylis‒Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes","ACS Catalysis","2017","7","5","3142","","10.1021/acscatal.7b00320","","","1.5418","CuKα","","0.0383","0.0363","","","0.0889","0.0906","","","","","","1.016","","","","has coordinates","197209","2020-10-21","18:00:00",""
"4514165","6.2288","0.0012","12.593","0.003","30.216","0.005","90","","90","","90","","2370.1","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CS1JMG-P3B - 17SRA001","","","- C29 H31 B O2 -","- C29 H31 B O2 -","- C116 H124 B4 O8 -","4","1","","Mateos, Jaime; Rivera-Chao, Eva; Fañanás-Mastral, Martín","Synergistic Copper/Palladium Catalysis for the Regio- and Stereoselective Synthesis of Borylated Skipped Dienes","ACS Catalysis","2017","","","5340","","10.1021/acscatal.7b01833","","","0.71073","MoKα","","0.1868","0.0717","","","0.1148","0.1539","","","","","","0.991","","","","has coordinates","198759","2020-10-21","18:00:00",""
"4514169","8.9232","0.0014","17.371","0.003","23.537","0.004","90","","90","","90","","3648.4","1.1","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H29 Cl F6 N2 O3 -","- C42 H29 Cl F6 N2 O3 -","- C168 H116 Cl4 F24 N8 O12 -","4","1","","Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao","Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita‒Baylis‒Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes","ACS Catalysis","2017","7","5","3142","","10.1021/acscatal.7b00320","","","0.71073","MoKα","","0.0556","0.0484","","","0.0952","0.099","","","","","","1.065","","","","has coordinates,has disorder","199566","2020-10-21","18:00:00",""
"4514172","8.4622","0.0007","9.685","0.0008","22.9564","0.0019","90","","90","","90","","1881.4","0.3","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O4 -","- C22 H24 O4 -","- C88 H96 O16 -","4","1","","Chong, Qinglei; Yue, Zhenting; Zhang, Shuoqing; Ji, Chonglei; Cheng, Fengchang; Zhang, Haiyan; Hong, Xin; Meng, Fanke","N-heterocyclic Carbene‒Cu-Catalyzed Enantioselective Conjugate Additions with Alkenylboronic Esters as Nucleophiles","ACS Catalysis","2017","","","5693","","10.1021/acscatal.7b02132","","","0.71073","MoKα","","0.0476","0.039","","","0.094","0.0992","","","","","","1.015","","","","has coordinates","199502","2020-10-21","18:00:00",""
"4514193","16.9652","0.0006","19.7318","0.0008","24.8974","0.0011","90","","90","","90","","8334.5","0.6","147","2","147","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37.21 H40.41 Cl2.41 Cu I N6 -","- C37.2095 H40.419 Cl2.419 Cu I N6 -","- C297.676 H323.352 Cl19.352 Cu8 I8 N48 -","8","2","","Wan, Kai Y.; Sung, Molly M. H.; Lough, Alan J.; Morris, Robert H.","Half-Sandwich Ruthenium Catalyst Bearing an Enantiopure Primary Amine Tethered to an N-Heterocyclic Carbene for Ketone Hydrogenation","ACS Catalysis","2017","7","10","6827","","10.1021/acscatal.7b02346","","","1.54178","CuKα","","0.0677","0.0528","","","0.1367","0.1484","","","","","","1.036","","","","has coordinates","202642","2020-10-21","18:00:00",""
"4514201","8.2547","0.0002","11.7633","0.0002","28.9888","0.0007","90","","90","","90","","2814.89","0.11","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Br N3 O4 -","- C30 H30 Br N3 O4 -","- C120 H120 Br4 N12 O16 -","4","1","","Jiang, Fei; Zhao, Dan; Yang, Xue; Yuan, Fu-Ru; Mei, Guang-Jian; Shi, Feng","Catalyst-Controlled Chemoselective and Enantioselective Reactions of Tryptophols with Isatin-Derived Imines","ACS Catalysis","2017","7","10","6984","","10.1021/acscatal.7b02279","","","1.54178","CuKα","","0.0529","0.0404","","","0.1009","0.1097","","","","","","1.025","","","","has coordinates","202643","2020-10-21","18:00:00",""
"4514205","9.6682","0.0005","10.6608","0.0004","48.1982","0.0018","90","","90","","90","","4967.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Fe O3 -","- C31 H32 Fe O3 -","- C248 H256 Fe8 O24 -","8","2","","Larionov, Evgeny; Mastandrea, Marco M.; Pericàs, Miquel A.","Asymmetric Visible-Light Photoredox Cross-Dehydrogenative Coupling of Aldehydes with Xanthenes","ACS Catalysis","2017","7","10","7008","","10.1021/acscatal.7b02659","","","0.7107","MoKα","","0.117","0.0688","","","0.1322","0.1484","","","","","","1.031","","","","has coordinates","202647","2020-10-21","18:00:00",""
"4514216","10.3642","0.00016","10.71104","0.00015","30.9626","0.0004","90","","90","","90","","3437.2","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H43 O P Si -","- C42 H43 O P Si -","- C168 H172 O4 P4 Si4 -","4","1","","Grosheva, Daria; Cramer, Nicolai","Ketene Aminal Phosphates: Competent Substrates for Enantioselective Pd(0)-Catalyzed C‒H Functionalizations","ACS Catalysis","2017","7","11","7417","","10.1021/acscatal.7b02783","","x-ray","1.54184","CuKα","","0.0255","0.0242","","","0.0605","0.0614","","","","","","1.039","","","","has coordinates","202650","2020-10-21","18:00:00",""
"4514217","4.7873","0.0001","12.3631","0.0002","25.26","0.0004","90","","90","","90","","1495.04","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl2 N O -","- C18 H13 Cl2 N O -","- C72 H52 Cl8 N4 O4 -","4","1","","Grosheva, Daria; Cramer, Nicolai","Ketene Aminal Phosphates: Competent Substrates for Enantioselective Pd(0)-Catalyzed C‒H Functionalizations","ACS Catalysis","2017","7","11","7417","","10.1021/acscatal.7b02783","","x-ray","1.54184","CuKα","","0.0335","0.0328","","","0.0848","0.0853","","","","","","1.095","","","","has coordinates,has disorder","202650","2020-10-21","18:00:00",""
"4514222","5.7087","0.0015","16.28","0.004","17.073","0.005","90","","90","","90","","1586.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N8 O4 -","- C36 H32 N8 O4 -","- C72 H64 N16 O8 -","2","0.5","","Liao, Yun; Lu, Qianqian; Chen, Gui; Yu, Yinghua; Li, Chunsen; Huang, Xueliang","Rhodium-Catalyzed Azide‒Alkyne Cycloaddition of Internal Ynamides: Regioselective Assembly of 5-Amino-Triazoles under Mild Conditions","ACS Catalysis","2017","7","11","7529","","10.1021/acscatal.7b02558","","","0.71073","MoKα","","0.0388","0.0337","","","0.0833","0.0864","","","","","","1.009","","","","has coordinates","202653","2020-10-21","18:00:00",""
"4514232","6.2606","0.0006","7.9157","0.0007","45.636","0.005","90","","90","","90","","2261.6","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O6 S -","- C26 H26 O6 S -","- C104 H104 O24 S4 -","4","1","","Wu, Zijun; Wang, Jian","Enantioselective Medium-Ring Lactone Synthesis through an NHC-Catalyzed Intramolecular Desymmetrization of Prochiral 1,3-Diols","ACS Catalysis","2017","7","11","7647","","10.1021/acscatal.7b02302","","","0.71073","MoKα","","0.0681","0.0606","","","0.1084","0.1123","","","","","","1.15","","","","has coordinates","202656","2020-10-21","18:00:00",""
"4514241","9.35893","0.00017","14.2993","0.0003","17.3085","0.0004","90","","90","","90","","2316.33","0.08","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br2 F N O -","- C11 H10 Br2 F N O -","- C88 H80 Br16 F8 N8 O8 -","8","2","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.0531","0.05","","","0.1229","0.1244","","","","","","1.086","","","","has coordinates","203981","2020-10-21","18:00:00",""
"4514243","8.38414","0.00003","9.70644","0.00005","25.42071","0.0001","90","","90","","90","","2068.74","0.015","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 F N2 O3 S -","- C22 H25 F N2 O3 S -","- C88 H100 F4 N8 O12 S4 -","4","1","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.0309","0.0306","","","0.0792","0.0794","","","","","","1.061","","","","has coordinates","203981","2020-10-21","18:00:00",""
"4514244","8.2516","0.00004","14.05983","0.00009","17.50889","0.0001","90","","90","","90","","2031.31","0.02","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 F N2 O3 S -","- C22 H25 F N2 O3 S -","- C88 H100 F4 N8 O12 S4 -","4","1","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.0308","0.0299","","","0.0772","0.0781","","","","","","1.059","","","","has coordinates","203981","2020-10-21","18:00:00",""
"4514245","9.36317","0.00008","14.3078","0.00011","17.31825","0.00012","90","","90","","90","","2320.06","0.03","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br2 F N O -","- C11 H10 Br2 F N O -","- C88 H80 Br16 F8 N8 O8 -","8","2","","Sonawane, Yogesh A.; Zhu, Yingmin; Garrison, Jered C.; Ezell, Edward L.; Zahid, Muhammad; Cheng, Xiaodong; Natarajan, Amarnath","Structure‒Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors","ACS Medicinal Chemistry Letters","2017","8","11","1183","","10.1021/acsmedchemlett.7b00358","","x-ray","1.54184","CuKα","","0.033","0.031","","","0.083","0.0851","","","","","","1.045","","","","has coordinates","203981","2020-10-21","18:00:00",""
"4514246","9.5092","0.0006","12.3167","0.0008","15.9826","0.0008","90","","90","","90","","1871.91","0.19","290.56","0.1","290.56","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 S -","- C24 H18 O2 S -","- C96 H72 O8 S4 -","4","1","","Lu, Hong; Zhang, Jia-Lu; Liu, Jin-Yu; Li, Hong-Yu; Xu, Peng-Fei","N-Heterocyclic Carbene-Catalyzed Atom-Economical and Enantioselective Construction of the C‒S Bond: Asymmetric Synthesis of Functionalized Thiochromans","ACS Catalysis","2017","7","11","7797","","10.1021/acscatal.7b02651","","","0.71073","MoKα","","0.0597","0.0484","","","0.096","0.1064","","","","","","1.047","","","","has coordinates","202652","2020-10-21","18:00:00",""
"4514250","5.6577","0.0002","8.9036","0.0002","32.5408","0.0008","90","","90","","90","","1639.21","0.08","301","2","300.68","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Su, Yong-Liang; Han, Zhi-Yong; Li, Yu-Hui; Gong, Liu-Zhu","Asymmetric Allylation of Furfural Derivatives: Synergistic Effect of Chiral Ligand and Organocatalyst on Stereochemical Control","ACS Catalysis","2017","7","11","7917","","10.1021/acscatal.7b02667","","","1.54178","CuKα","","0.0493","0.0461","","","0.1248","0.1292","","","","","","1.135","","","","has coordinates","202651","2020-10-21","18:00:00",""
"4514286","5.1494","0.0009","10.5103","0.0018","23.635","0.004","90","","90","","90","","1279.2","0.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-2-(4-Bromophenyl)-4-oxo-4-(1H-pyrrol-1-yl)butanenitrile","","","- C14 H11 Br N2 O -","- C14 H11 Br N2 O -","- C56 H44 Br4 N8 O4 -","4","1","","Hatano, Manabu; Yamakawa, Katsuya; Ishihara, Kazuaki","Enantioselective Conjugate Hydrocyanation of α,β-Unsaturated N-Acylpyrroles Catalyzed by Chiral Lithium(I) Phosphoryl Phenoxide","ACS Catalysis","2017","7","10","6686","","10.1021/acscatal.7b02551","","","0.71075","MoKα","","0.0205","0.0188","","","0.0391","0.0393","","","","","","0.967","","","","has coordinates","202580","2020-10-21","18:00:00",""
"4514318","15.5416","0.0005","22.2438","0.0009","23.488","0.0012","90","","90","","90","","8119.9","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C92 H76 Cl4 O10 Rh2 -","- C92 H76 Cl4 O10 Rh2 -","- C368 H304 Cl16 O40 Rh8 -","4","1","","Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L.","Site-Selective Carbene-Induced C‒H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes","ACS Catalysis","2017","8","1","678","","10.1021/acscatal.7b03421","","x-ray","0.71073","MoKα","","0.1316","0.1076","","","0.2028","0.2137","","","","","","1.142","","","","has coordinates,has disorder","206116","2020-10-21","18:00:00",""
"4514328","5.9526","0.0005","9.1966","0.0007","33.092","0.003","90","","90","","90","","1811.6","0.3","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 F O2 -","- C22 H27 F O2 -","- C88 H108 F4 O8 -","4","1","","Mixdorf, Jason C.; Sorlin, Alexandre M.; Zhang, Qi; Nguyen, Hien M.","Asymmetric Synthesis of Allylic Fluorides via Fluorination of Racemic Allylic Trichloroacetimidates Catalyzed by a Chiral Diene-Iridium Complex","ACS Catalysis","2017","8","2","790","","10.1021/acscatal.7b03786","","","0.71073","MoKα","","0.049","0.0405","","","0.1024","0.1072","","","","","","1.08","","","","has coordinates","206131","2020-10-21","18:00:00",""
"4514338","6.2748","0.0005","13.137","0.0011","24.081","0.002","90","","90","","90","","1985","0.3","101","","101.23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N3 O3 -","- C23 H21 N3 O3 -","- C92 H84 N12 O12 -","4","1","","Korvorapun, Korkit; Kaplaneris, Nikolaos; Rogge, Torben; Warratz, Svenja; Stückl, A. Claudia; Ackermann, Lutz","Sequential meta-/ortho-C‒H Functionalizations by One-Pot Ruthenium(II/III) Catalysis","ACS Catalysis","2018","8","2","886","","10.1021/acscatal.7b03648","","","1.54178","CuKα","","0.026","0.0259","","","0.0658","0.0659","","","","","","1.077","","","","has coordinates","206122","2020-10-21","18:00:00",""
"4514369","6.78","0.0006","10.4553","0.0009","18.9129","0.0016","90","","90","","90","","1340.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-3-((z)-4-Chlorobenzylidene)-7a-methyl-2,3,3a,7a-tetrahydrobenzofuran-5(4H)-one","","- C16 H15 Cl O2 -","- C16 H15 Cl O2 -","- C64 H60 Cl4 O8 -","4","1","","Gollapelli, Krishna Kumar; Donikela, Sangeetha; Manjula, Nemali; Chegondi, Rambabu","Rhodium-Catalyzed Highly Regio- and Enantioselective Reductive Cyclization of Alkyne-Tethered Cyclohexadienones","ACS Catalysis","2018","8","2","1440","","10.1021/acscatal.7b04054","","","0.71073","MoKα","","0.0562","0.0549","","","0.1319","0.1326","","","","","","1.254","","","","has coordinates","206130","2020-10-21","18:00:00",""
"4514378","4.3637","","8.4176","0.0001","20.062","0.0002","90","","90","","90","","736.915","0.011","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","","Zhu, Gongming; Li, Yiping; Bao, Guangjun; Sun, Wangsheng; Huang, Liwu; Hong, Liang; Wang, Rui","Catalytic Kinetic Resolution of Spiro-Epoxyoxindoles with 1-Naphthols: Switchable Asymmetric Tandem Dearomatization/Oxa-Michael Reaction and Friedel–Crafts Alkylation of 1-Naphthols at the C4 Position","ACS Catalysis","2018","","","1810","","10.1021/acscatal.7b03268","","x-ray","1.54184","CuKα","","0.0262","0.026","","","0.0676","0.0678","","","","","","1.0564","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4514379","9.4584","0.0012","13.011","0.0016","17.4","0.002","90","","90","","90","","2141.3","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Br N O3 -","- C26 H20 Br N O3 -","- C104 H80 Br4 N4 O12 -","4","1","","Zhu, Gongming; Li, Yiping; Bao, Guangjun; Sun, Wangsheng; Huang, Liwu; Hong, Liang; Wang, Rui","Catalytic Kinetic Resolution of Spiro-Epoxyoxindoles with 1-Naphthols: Switchable Asymmetric Tandem Dearomatization/Oxa-Michael Reaction and Friedel‒Crafts Alkylation of 1-Naphthols at the C4 Position","ACS Catalysis","2018","","","1810","","10.1021/acscatal.7b03268","","","0.71073","MoKα","","0.082","0.0464","","","0.1071","0.1188","","","","","","1.008","","","","has coordinates","205970","2020-10-21","18:00:00",""
"4514381","9.027","0.004","10.076","0.003","20.28","0.008","90","","90","","90","","1844.6","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AGC-247","","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C80 H80 Cl4 N4 O16 -","4","1","","Esteban, Francisco; Cieślik, Wioleta; Arpa, Enrique M.; Guerrero-Corella, Andrea; Díaz-Tendero, Sergio; Perles, Josefina; Fernández-Salas, José A; Fraile, Alberto; Alemán, José","Intramolecular Hydrogen Bond Activation: Thiourea-Organocatalyzed Enantioselective 1,3-Dipolar Cycloaddition of Salicylaldehyde-Derived Azomethine Ylides with Nitroalkenes.","ACS catalysis","2018","8","3","1884","1890","10.1021/acscatal.7b03553","","","0.71073","MoKα","","0.0653","0.0365","","","0.0833","0.098","","","","","","1.051","","","","has coordinates","227505","2020-10-21","18:00:00",""
"4514407","7.15","0.0003","19.5691","0.0007","24.0399","0.0011","90","","90","","90","","3363.6","0.2","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cr N O5 P -","- C37 H36 Cr N O5 P -","- C148 H144 Cr4 N4 O20 P4 -","4","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","1.54184","CuKα","","0.0689","0.059","","","0.1589","0.169","","","","","","1.059","","","","has coordinates,has disorder","223175","2020-10-21","18:00:00",""
"4514420","10.9656","0.0006","11.9509","0.0006","38.4007","0.0019","90","","90","","90","","5032.4","0.4","100","","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H60 Cl2 N2 P2 Ru -","- C59 H60 Cl2 N2 P2 Ru -","- C236 H240 Cl8 N8 P8 Ru4 -","4","1","","Chen, Fumin; He, Dongxu; Chen, Li; Chang, Xiaoyong; Wang, David Zhigang; Xu, Chen; Xing, Xiangyou","Chirality-Economy Catalysis: Asymmetric Transfer Hydrogenation of Ketones by Ru-Catalysts of Minimal Stereogenicity","ACS Catalysis","2019","9","6","5562","","10.1021/acscatal.9b01535","","x-ray","0.71073","MoKα","","0.0253","0.0245","","","0.0583","0.0586","","","","","","1.096","","","","has coordinates","223179","2020-10-21","18:00:00",""
"4514434","6.44696","0.00018","6.98494","0.00019","23.6748","0.0006","90","","90","","90","","1066.11","0.05","140","0.1","140","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Park, Sung Hwan; Wang, Shou-Guo; Cramer, Nicolai","Enantioselective Ruthenium(II)-Catalyzed Access to Benzonorcaradienes by Coupling of Oxabenzonorbornadienes and Alkynes","ACS Catalysis","2019","","","10226","","10.1021/acscatal.9b03858","","x-ray","1.54184","CuKα","","0.0266","0.0262","","","0.0698","0.0702","","","","","","1.076","","","","has coordinates","219536","2020-10-21","18:00:00",""
"4514435","5.101","0.0005","15.6195","0.0014","23.695","0.002","90","","90","","90","","1887.9","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 F O2 S -","- C24 H19 F O2 S -","- C96 H76 F4 O8 S4 -","4","1","","Moku, Balakrishna; Fang, Wan-Yin; Leng, Jing; Kantchev, Eric Assen B.; Qin, Hua-Li","Rh(I)‒Diene-Catalyzed Addition of (Hetero)aryl Functionality to 1,3-Dienylsulfonyl Fluorides Achieving Exclusive Regioselectivity and High Enantioselectivity: Generality and Mechanism","ACS Catalysis","2019","","","10477","","10.1021/acscatal.9b03640","","","0.71073","MoKα","","0.1417","0.0942","","","0.211","0.2387","","","","","","1.077","","","","has coordinates","219537","2020-10-21","18:00:00",""
"4514517","11.8629","0.0016","24.594","0.004","31.441","0.005","90","","90","","90","","9173","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H57 N3 O -","- C56 H57 N3 O -","- C448 H456 N24 O8 -","8","2","","Thangaraji, Vasudevan; Rajamalli, Pachaiyappan; Jayakumar, Jayachandran; Huang, Min-Jie; Chen, Yu-Wei; Cheng, Chien-Hong","Quinolinylmethanone-Based Thermally Activated Delayed Fluorescence Emitters and the Application in OLEDs: Effect of Intramolecular H-Bonding.","ACS applied materials & interfaces","2019","11","19","17128","17133","10.1021/acsami.8b22704","","","0.71073","MoKα","","0.1245","0.0636","","","0.112","0.1356","","","","","","1.006","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514590","9.554","0.0001","26.8344","0.0003","32.851","0.0003","90","","90","","90","","8422.2","0.15","282","3","282","3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C59 H37 N3 -","- C59 H37 N3 -","- C472 H296 N24 -","8","2","","Xu, Yuwei; Liang, Xiaoming; Liang, Yiqian; Guo, Xiaomin; Hanif, Muddasir; Zhou, Jiadong; Zhou, Xuehong; Wang, Cong; Yao, Jingwen; Zhao, Ruiyang; Hu, Dehua; Qiao, Xianfeng; Ma, Dongge; Ma, Yuguang","Efficient Deep-Blue Fluorescent OLEDs with a High Exciton Utilization Efficiency from a Fully Twisted Phenanthroimidazole-Anthracene Emitter.","ACS applied materials & interfaces","2019","11","34","31139","31146","10.1021/acsami.9b10823","","x-ray","1.54184","CuKα","","0.036","0.0335","","","0.0859","0.0875","","","","","","1.037","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514612","15.155","0.002","17.531","0.003","22.268","0.003","90","","90","","90","","5916.2","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H63 Ir N2 O6 P2 -","- C72 H63 Ir N2 O6 P2 -","- C288 H252 Ir4 N8 O24 P8 -","4","1","","Kim, Seung Wook; Meyer, Cole C.; Mai, Binh Khanh; Liu, Peng; Krische, Michael J.","Inversion of Enantioselectivity in Allene Gas versus Allyl Acetate Reductive Aldehyde Allylation Guided by Metal-Centered Stereogenicity: An Experimental and Computational Study","ACS Catalysis","2019","9","10","9158","","10.1021/acscatal.9b03695","","","0.71073","MoKα","","0.0261","0.0215","","","0.0353","0.0357","","","","","","1.045","","","","has coordinates,has disorder","219797","2020-10-21","18:00:00",""
"4514613","11.8365","0.0003","12.8133","0.0004","13.5157","0.0004","90","","90","","90","","2049.85","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 B O3 -","- C23 H29 B O3 -","- C92 H116 B4 O12 -","4","1","","Whyte, Andrew; Mirabi, Bijan; Torelli, Alexa; Prieto, Liher; Bajohr, Jonathan; Lautens, Mark","Asymmetric Synthesis of Boryl-Functionalized Cyclobutanols","ACS Catalysis","2019","9","10","9253","","10.1021/acscatal.9b03216","","","1.54178","CuKα","","0.0274","0.0269","","","0.0678","0.0685","","","","","","1.047","","","","has coordinates","219798","2020-10-21","18:00:00",""
"4514619","6.30332","0.00004","11.85008","0.00009","28.71209","0.00018","90","","90","","90","","2144.65","0.03","100","","100","","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 I O -","- C24 H35 I O -","- C96 H140 I4 O4 -","4","1","","Nugent, Jeremy; Arroniz, Carlos; Shire, Bethany R.; Sterling, Alistair J.; Pickford, Helena D.; Wong, Marie L. J.; Mansfield, Steven J.; Caputo, Dimitri F. J.; Owen, Benjamin; Mousseau, James J.; Duarte, Fernanda; Anderson, Edward A.","A General Route to Bicyclo[1.1.1]pentanes through Photoredox Catalysis","ACS Catalysis","2019","9","10","9568","","10.1021/acscatal.9b03190","","","0.6889","Synchrotron","","0.0402","0.0367","","0.0967","0.0948","0.0967","","","","","","0.9998","","","","has coordinates","219804","2020-10-21","18:00:00",""
"4514631","6.9609","0.0002","9.0105","0.0002","32.0299","0.0007","90","","90","","90","","2008.95","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F N O -","- C25 H22 F N O -","- C100 H88 F4 N4 O4 -","4","1","","Ma, Teng; Chen, Yate; Li, Yuxiu; Ping, Yuanyuan; Kong, Wangqing","Nickel-Catalyzed Enantioselective Reductive Aryl Fluoroalkenylation of Alkenes","ACS Catalysis","2019","9","10","9127","","10.1021/acscatal.9b03172","","","1.54178","CuKα","","0.0419","0.039","","","0.1009","0.1075","","","","","","1.143","","","","has coordinates","219814","2020-10-21","18:00:00",""
"4514639","8.8534","0.0001","12.6813","0.0001","18.9601","0.0002","90","","90","","90","","2128.7","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 B O3 -","- C24 H29 B O3 -","- C96 H116 B4 O12 -","4","1","","Han, Jie; Zhou, Wei; Zhang, Pei-Chao; Wang, Huamin; Zhang, Ronghua; Wu, Hai-Hong; Zhang, Junliang","Design and Synthesis of WJ-Phos, and Application in Cu-Catalyzed Enantioselective Boroacylation of 1,1-Disubstituted Allenes","ACS Catalysis","2019","9","8","6890","","10.1021/acscatal.9b02080","","x-ray","1.54184","CuKα","","0.0321","0.0316","","","0.0818","0.0822","","","","","","1.053","","","","has coordinates","219822","2020-10-21","18:00:00",""
"4514668","6.8271","0.001","16.06","0.002","29.396","0.004","90","","90","","90","","3223.1","0.8","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H27 Br3 N2 O3 -","- C38 H27 Br3 N2 O3 -","- C152 H108 Br12 N8 O12 -","4","1","","Ibáñez, Ignacio; Kaneko, Mio; Kamei, Yuto; Tsutsumi, Ryosuke; Yamanaka, Masahiro; Akiyama, Takahiko","Enantioselective Friedel‒Crafts Alkylation Reaction of Indoles with α-Trifluoromethylated β-Nitrostyrenes Catalyzed by Chiral BINOL Metal Phosphate","ACS Catalysis","2019","9","8","6903","","10.1021/acscatal.9b01811","","","0.71073","MoKα","","0.0745","0.049","","","0.1245","0.1481","","","","","","0.816","","","","has coordinates","219847","2020-10-21","18:00:00",""
"4514690","9.2464","0.0003","10.0773","0.0004","23.4808","0.0009","90","","90","","90","","2187.91","0.14","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C96 H100 N12 O16 -","4","1","","He, Xiao-Long; Zhao, Hui-Ru; Song, Xue; Jiang, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric Barton‒Zard Reaction To Access 3-Pyrrole-Containing Axially Chiral Skeletons","ACS Catalysis","2019","9","5","4374","","10.1021/acscatal.9b00767","","x-ray","1.54184","CuKα","","0.0517","0.0499","","","0.1297","0.1327","","","","","","1.05","","","","has coordinates","219867","2020-10-21","18:00:00",""
"4514692","8.1125","0.0002","12.1517","0.0004","23.1044","0.0007","90","","90","","90","","2277.65","0.12","298","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 N O -","- C31 H21 N O -","- C124 H84 N4 O4 -","4","1","","Yuan, Hairui; Guo, Lirong; Liu, Fengting; Miao, Zechen; Feng, Lei; Gao, Hongyin","Copper-Catalyzed Tandem O-Vinylation of Arylhydroxylamines/[3,3]-Rearrangement/Cyclization: Synthesis of Highly Substituted Indoles and Benzoindoles","ACS Catalysis","2019","9","5","3906","","10.1021/acscatal.9b00470","","x-ray","1.54184","CuKα","","0.0541","0.044","","","0.1159","0.1371","","","","","","0.933","","","","has coordinates","219869","2020-10-21","18:00:00",""
"4514693","8.7123","0.0006","16.0813","0.0012","20.4271","0.0017","90","","90","","90","","2861.9","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N6 Ni O6 -","- C24 H46 N6 Ni O6 -","- C96 H184 N24 Ni4 O24 -","4","1","","Garrido-Barros, Pablo; Grau, Sergi; Drouet, Samuel; Benet-Buchholz, Jordi; Gimbert-Suriñach, Carolina; Llobet, Antoni","Can Ni Complexes Behave as Molecular Water Oxidation Catalysts?","ACS Catalysis","2019","9","5","3936","","10.1021/acscatal.8b03953","","","0.71073","MoKα","","0.0602","0.0448","","","0.0985","0.1058","","","","","","1.028","","","","has coordinates","219870","2020-10-21","18:00:00",""
"4514705","10.5863","0.0009","16.3326","0.0012","20.8095","0.0017","90","","90","","90","","3598","0.5","125","2","124.99","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 Fe K N2 P3 Si -","- C33 H50 Fe K N2 P3 Si -","- C132 H200 Fe4 K4 N8 P12 Si4 -","4","1","","Schild, Dirk J.; Peters, Jonas C.","Light Enhanced Fe-Mediated Nitrogen Fixation: Mechanistic Insights Regarding H<sub>2</sub> Elimination, HER, and NH<sub>3</sub> Generation.","ACS catalysis","2019","9","5","4286","4295","10.1021/acscatal.9b00523","","","1.54178","CuKα","","0.0873","0.067","","","0.149","0.1606","","","","","","1.062","","","","has coordinates","219876","2020-10-21","18:00:00",""
"4514707","9.5625","0.0005","11.3203","0.0004","24.4937","0.001","90","","90","","90","","2651.5","0.2","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Cl2 Co N4 O -","- C26 H28 Cl2 Co N4 O -","- C104 H112 Cl8 Co4 N16 O4 -","4","1","","Chen, Xu; Cheng, Zhaoyang; Lu, Zhan","Cobalt-Catalyzed Asymmetric Markovnikov Hydroboration of Styrenes","ACS Catalysis","2019","9","5","4025","","10.1021/acscatal.8b05135","","","0.71073","MoKα","","0.0523","0.0382","","","0.0763","0.0842","","","","","","1.061","","","","has coordinates","219878","2020-10-21","18:00:00",""
"4514724","8.9497","0.001","9.3068","0.0014","15.389","0.0017","90","","90","","90","","1281.8","0.3","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O2 S -","- C14 H13 N O2 S -","- C56 H52 N4 O8 S4 -","4","1","","Nguyen, Viet D.; Nguyen, Vu T.; Haug, Graham C.; Dang, Hang T.; Arman, Hadi D.; Ermler, Walter C.; Larionov, Oleg V.","Rapid and Chemodivergent Synthesis of N-Heterocyclic Sulfones and Sulfides: Mechanistic and Computational Details of the Persulfate-Initiated Catalysis","ACS Catalysis","2019","9","5","4015","","10.1021/acscatal.9b00464","","x-ray","0.71073","MoKα","","0.0343","0.0333","","","0.0777","0.0783","","","","","","1.036","","","","has coordinates","219889","2020-10-21","18:00:00",""
"4514735","7.7672","0.0008","8.6398","0.0009","22.845","0.002","90","","90","","90","","1533.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","1","","Dai, Yuanwei; Tian, Baotong; Chen, Huan; Zhang, Qiang","Palladium-Catalyzed Stereospecific C-Glycosylation of Glycals with Vinylogous Acceptors","ACS Catalysis","2019","9","4","2909","","10.1021/acscatal.9b00336","","","0.71073","MoKα","","0.051","0.0402","","","0.0812","0.086","","","","","","1.071","","","","has coordinates","219900","2020-10-21","18:00:00",""
"4514753","7.3331","0.0004","9.8564","0.0005","25.7259","0.0012","90","","90","","90","","1859.42","0.16","297.32","0.11","297.32","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br N2 O2 -","- C22 H19 Br N2 O2 -","- C88 H76 Br4 N8 O8 -","4","1","","Yang, Qian-Qian; Yin, Xiang; He, Xiao-Long; Du, Wei; Chen, Ying-Chun","Asymmetric Formal [5 + 3] Cycloadditions with Unmodified Morita‒Baylis‒Hillman Alcohols via Double Activation Catalysis","ACS Catalysis","2019","9","2","1258","","10.1021/acscatal.8b04942","","x-ray","1.54184","CuKα","","0.0616","0.059","","","0.1575","0.1617","","","","","","1.077","","","","has coordinates","219913","2020-10-21","18:00:00",""
"4514756","9.162","0.006","10.694","0.007","22.484","0.014","90","","90","","90","","2203","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.2507","0.1092","","","0.2459","0.3088","","","","","","1.129","","","","has coordinates","219916","2020-10-21","18:00:00",""
"4514757","6.556","0.002","13.237","0.004","25.625","0.008","90","","90","","90","","2223.8","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 N O3 S -","- C29 H21 N O3 S -","- C116 H84 N4 O12 S4 -","4","1","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.2742","0.161","","","0.3677","0.4328","","","","","","1.204","","","","has coordinates","219917","2020-10-21","18:00:00",""
"4514758","8.9405","0.0014","10.0639","0.0017","23.127","0.004","90","","90","","90","","2080.9","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O5 S -","- C23 H21 N O5 S -","- C92 H84 N4 O20 S4 -","4","1","","Bai, Xing-Feng; Mu, Qiu-Chao; Xu, Zheng; Yang, Ke-Fang; Li, Li; Zheng, Zhan-Jiang; Xia, Chun-Gu; Xu, Li-Wen","Catalytic Asymmetric Carbonylation of Prochiral Sulfonamides via C‒H Desymmetrization","ACS Catalysis","2019","9","2","1431","","10.1021/acscatal.8b04725","","","0.71073","MoKα","","0.0622","0.0416","","","0.0937","0.1034","","","","","","0.953","","","","has coordinates","219918","2020-10-21","18:00:00",""
"4514765","9.561","0.004","9.713","0.003","20.717","0.009","90","","90","","90","","1923.9","1.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 O3 P -","- C24 H21 O3 P -","- C96 H84 O12 P4 -","4","1","","Lu, Zhiwu; Zhang, Haoyang; Yang, Zhiping; Ding, Ning; Meng, Ling; Wang, Jun","Asymmetric Hydrophosphination of Heterobicyclic Alkenes: Facile Access to Phosphine Ligands for Asymmetric Catalysis","ACS Catalysis","2019","9","2","1457","","10.1021/acscatal.8b04787","","x-ray","0.71073","MoKα","","0.036","0.0332","","","0.0777","0.0789","","","","","","1.091","","","","has coordinates","219925","2020-10-21","18:00:00",""
"4514767","5.6039","0.0007","10.7509","0.0013","19.196","0.002","90","","90","","90","","1156.5","0.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","","Zheng, Pengfei; Wang, Chengpeng; Chen, Ying-Chun; Dong, Guangbin","Pd-Catalyzed Intramolecular α-Allylic Alkylation of Ketones with Alkynes: Rapid and Stereodivergent Construction of [3.2.1] Bicycles","ACS Catalysis","2019","9","6","5515","","10.1021/acscatal.9b00997","","","0.71073","MoKα","","0.0557","0.0489","","","0.126","0.1314","","","","","","1.046","","","","has coordinates","219927","2020-10-21","18:00:00",""
"4514768","13.6599","0.0003","14.2563","0.0003","20.5882","0.0005","90","","90","","90","","4009.34","0.16","150","0.3","150","0.3","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","7DiPPZn(H)(THF) NTf2","","- C35 H51 F6 N3 O5 S2 Zn -","- C35 H51 F6 N3 O5 S2 Zn -","- C140 H204 F24 N12 O20 S8 Zn4 -","4","1","","Procter, Richard J.; Uzelac, Marina; Cid, Jessica; Rushworth, Philip J.; Ingleson, Michael J.","Low-Coordinate NHC‒Zinc Hydride Complexes Catalyze Alkyne C‒H Borylation and Hydroboration Using Pinacolborane","ACS Catalysis","2019","9","6","5760","","10.1021/acscatal.9b01370","","x-ray","0.71073","MoKα","","0.0837","0.0625","","","0.1538","0.1787","","","","","","1.07","","","","has coordinates,has disorder","219928","2020-10-21","18:00:00",""
"4514775","9.663","0.0002","9.7186","0.0002","31.0442","0.0007","90","","90","","90","","2915.39","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C152 H144 O16 -","8","2","","Yang, Junfeng; Sekiguchi, Yoshiya; Yoshikai, Naohiko","Cobalt-Catalyzed Enantioselective and Chemodivergent Addition of Cyclopropanols to Oxabicyclic Alkenes","ACS Catalysis","2019","9","6","5638","","10.1021/acscatal.9b00655","","","1.54178","CuKα","","0.0296","0.0295","","","0.0742","0.0743","","","","","","1.06","","","","has coordinates","219935","2020-10-21","18:00:00",""
"4514779","15.6161","0.0016","19.6361","0.0019","21.6999","0.0019","90","","90","","90","","6654","1.1","170","2","170","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H82 F9 N4 O15 S3 Tm -","- C53 H82 F9 N4 O15 S3 Tm -","- C212 H328 F36 N16 O60 S12 Tm4 -","4","1","","Zhang, Yu; Zhang, Fengcai; Chen, Long; Xu, Jian; Liu, Xiaohua; Feng, Xiaoming","Asymmetric Synthesis of P-Stereogenic Compounds via Thulium(III)-Catalyzed Desymmetrization of Dialkynylphosphine Oxides","ACS Catalysis","2019","9","6","4834","","10.1021/acscatal.9b00860","","","0.71073","MoKα","","0.0989","0.0674","","","0.1571","0.1817","","","","","","0.977","","","","has coordinates","219939","2020-10-21","18:00:00",""
"4514780","9.9449","0.0002","17.1268","0.0004","19.9556","0.0004","90","","90","","90","","3398.92","0.12","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 O P2 -","- C44 H40 O P2 -","- C176 H160 O4 P8 -","4","1","","Batuecas, María; Luo, Junfei; Gergelitsová, Ivana; Krämer, Katrina; Whitaker, Daniel; Vitorica-Yrezabal, Iñigo J.; Larrosa, Igor","Catalytic Asymmetric C‒H Arylation of (η6-Arene)Chromium Complexes: Facile Access to Planar-Chiral Phosphines","ACS Catalysis","2019","9","6","5268","","10.1021/acscatal.9b00918","","x-ray","0.71073","MoKα","","0.05","0.0381","","","0.085","0.0895","","","","","","1.04","","","","has coordinates","219940","2020-10-21","18:00:00",""
"4514789","8.98144","0.00012","9.10592","0.00011","35.9259","0.0004","90","","90","","90","","2938.17","0.06","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","2","","Li, Yi-Pan; Li, Zi-Qi; Zhou, Biying; Li, Mao-Lin; Xue, Xiao-Song; Zhu, Shou-Fei; Zhou, Qi-Lin","Chiral Spiro Phosphoric Acid-Catalyzed Friedel‒Crafts Conjugate Addition/Enantioselective Protonation Reactions","ACS Catalysis","2019","9","7","6522","","10.1021/acscatal.9b01502","","x-ray","1.54184","CuKα","","0.0351","0.0336","","","0.0932","0.0943","","","","","","1.029","","","","has coordinates","219949","2020-10-21","18:00:00",""
"4514796","7.1896","0.0002","13.9891","0.0006","17.894","0.0007","90","","90","","90","","1799.71","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O2 -","- C22 H21 N O2 -","- C88 H84 N4 O8 -","4","1","","Chen, Shuyou; Zhang, Min; Su, Rongchuan; Chen, Xingyu; Feng, Boya; Yang, Yudong; You, Jingsong","C2/C4 Regioselective Heteroarylation of Indoles by Tuning C‒H Metalation Modes","ACS Catalysis","2019","9","7","6372","","10.1021/acscatal.9b01273","","","1.54184","CuKα","","0.061","0.0582","","","0.1542","0.1603","","","","","","1.047","","","","has coordinates","219956","2020-10-21","18:00:00",""
"4514798","5.6073","0.0001","16.7309","0.0005","16.9207","0.0006","90","","90","","90","","1587.42","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O -","- C20 H19 N O -","- C80 H76 N4 O4 -","4","1","","Sahani, Rajkumar Lalji; Liu, Rai-Shung","Gold-Catalyzed Oxidative Arylations of 3-Butyn-1-ols and 2-Propyn-1-ols with Nitrones to Yield Distinct Fused Indoles Bearing a Heterocyclic Ring","ACS Catalysis","2019","9","7","5890","","10.1021/acscatal.9b01491","","","0.71073","MoKα","","0.0401","0.033","","","0.0707","0.0749","","","","","","1.088","","","","has coordinates","219958","2020-10-21","18:00:00",""
"4514814","5.78428","0.00003","12.07053","0.00005","25.84988","0.0001","90","","90","","90","","1804.82","0.014","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Luo, Weiwei; Sun, Zhicheng; Fernando, E. H. Nisala; Nesterov, Vladimir N.; Cundari, Thomas R.; Wang, Hong","Asymmetric Ring-Opening of Donor‒Acceptor Cyclopropanes with Primary Arylamines Catalyzed by a Chiral Heterobimetallic Catalyst","ACS Catalysis","2019","9","9","8285","","10.1021/acscatal.9b02523","","x-ray","1.54184","CuKα","","0.0232","0.0229","","","0.0592","0.0594","","","","","","1.053","","","","has coordinates","219975","2020-10-21","18:00:00",""
"4514831","8.3707","0.0003","11.4502","0.0004","14.6387","0.0005","90","","90","","90","","1403.06","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H23 N3 O3 S -","- C11 H23 N3 O3 S -","- C44 H92 N12 O12 S4 -","4","1","","Duhamel, Thomas; Martínez, Mario D.; Sideri, Ioanna K.; Muñiz, Kilian","1,3-Diamine Formation from an Interrupted Hofmann‒Löffler Reaction: Iodine Catalyst Turnover through Ritter-Type Amination","ACS Catalysis","2019","9","9","7741","","10.1021/acscatal.9b01566","","","0.71075","MoKα","","0.032","0.0292","","","0.0719","0.0733","","","","","","1.067","","","","has coordinates","219992","2020-10-21","18:00:00",""
"4514839","10.4319","0.0004","14.2343","0.0005","29.1953","0.0012","90","","90","","90","","4335.2","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 B N O4 S -","- C21 H26 B N O4 S -","- C168 H208 B8 N8 O32 S8 -","8","2","","Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan","Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters","ACS Catalysis","2019","9","9","8503","","10.1021/acscatal.9b02931","","","0.71073","MoKα","","0.0788","0.0463","","","0.0935","0.1056","","","","","","1.039","","","","has coordinates,has disorder","220000","2020-10-21","18:00:00",""
"4514841","9.2674","0.0005","10.7476","0.0007","28.5667","0.0016","90","","90","","90","","2845.3","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 B F3 N2 O6 S -","- C23 H36 B F3 N2 O6 S -","- C92 H144 B4 F12 N8 O24 S4 -","4","1","","Kim, Jeongho; Shin, Minkyeong; Cho, Seung Hwan","Copper-Catalyzed Diastereoselective and Enantioselective Addition of 1,1-Diborylalkanes to Cyclic Ketimines and α-Imino Esters","ACS Catalysis","2019","9","9","8503","","10.1021/acscatal.9b02931","","","0.71073","MoKα","","0.0816","0.0493","","","0.0983","0.1112","","","","","","1.041","","","","has coordinates,has disorder","220002","2020-10-21","18:00:00",""
"4514876","7.1039","0.0018","11.823","0.003","19.698","0.005","90","","90","","90","","1654.4","0.7","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O2 -","- C20 H19 N3 O2 -","- C80 H76 N12 O8 -","4","1","","Zhang, Lin-Bao; Zhu, Ming-Hui; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming","Silver-Mediated Indole (4 + 2) Dearomative Annulation with N-Radicals: A Strategy To Construct Heterocycle-Fused Indolines","ACS Catalysis","2019","9","3","1680","","10.1021/acscatal.8b04933","","","0.71073","MoKα","","0.037","0.0365","","","0.0939","0.0943","","","","","","1.11","","","","has coordinates","220034","2020-10-21","18:00:00",""
"4514878","10.8692","0.0003","13.9222","0.0004","17.5154","0.0005","90","","90","","90","","2650.49","0.13","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O S Si -","- C30 H32 O S Si -","- C120 H128 O4 S4 Si4 -","4","1","","Zhang, Shuo; Yao, Qi-Jun; Liao, Gang; Li, Xin; Li, Han; Chen, Hao-Ming; Hong, Xin; Shi, Bing-Feng","Enantioselective Synthesis of Atropisomers Featuring Pentatomic Heteroaromatics by Pd-Catalyzed C‒H Alkynylation","ACS Catalysis","2019","9","3","1956","","10.1021/acscatal.8b04870","","","0.71073","MoKα","","0.0515","0.0402","","","0.0977","0.1055","","","","","","1.035","","","","has coordinates","220036","2020-10-21","18:00:00",""
"4514884","6.0801","0.0012","8.1103","0.0016","22.242","0.004","90","","90","","90","","1096.8","0.4","153","2","153.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.1093","0.0867","","","0.1516","0.1675","","","","","","1.131","","","","has coordinates","220042","2020-10-21","18:00:00",""
"4514885","8.7971","0.0003","17.2916","0.0007","20.3839","0.0008","90","","90","","90","","3100.7","0.2","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N3 O8 S -","- C33 H33 N3 O8 S -","- C132 H132 N12 O32 S4 -","4","1","","Gao, Xing; Xia, Miaoren; Yuan, Chunhao; Zhou, Leijie; Sun, Wei; Li, Cheng; Wu, Bo; Zhu, Dongyu; Zhang, Cheng; Zheng, Bing; Wang, Dongqi; Guo, Hongchao","Enantioselective Synthesis of Chiral Medium-Sized Cyclic Compounds via Tandem Cycloaddition/Cope Rearrangement Strategy","ACS Catalysis","2019","9","3","1645","","10.1021/acscatal.8b04590","","","0.71073","MoKα","","0.0846","0.0674","","","0.125","0.1328","","","","","","1.1","","","","has coordinates","220043","2020-10-21","18:00:00",""
"4514888","11.7248","0.0012","13.6488","0.0013","19.0159","0.0019","90","","90","","90","","3043.1","0.5","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 F6 N2 O8 -","- C27.999 H26 F5.997 N2 O8 -","- C111.996 H104 F23.988 N8 O32 -","4","1","","Sletten, Eric T.; Tu, Yi-Jung; Schlegel, H. Bernhard; Nguyen, Hien M.","Are Brønsted Acids the True Promoter of Metal-Triflate-Catalyzed Glycosylations? A Mechanistic Probe into 1,2-cis-Aminoglycoside Formation by Nickel Triflate","ACS Catalysis","2019","9","3","2110","","10.1021/acscatal.8b04444","","","0.71073","MoKα","","0.0782","0.0439","","","0.0898","0.1058","","","","","","1.014","","","","has coordinates,has disorder","220046","2020-10-21","18:00:00",""
"4514892","10.0468","0.0005","14.4215","0.0007","20.9082","0.0011","90","","90","","90","","3029.4","0.3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Al Cl9 Ga2 N6 -","- C12 H18 Al Cl9 Ga2 N6 -","- C48 H72 Al4 Cl36 Ga8 N24 -","4","1","","Li, Kai; Choudhary, Hemant; Mishra, Manish Kumar; Rogers, Robin D.","Enhanced Acidity and Activity of Aluminum/Gallium-Based Ionic Liquids Resulting from Dynamic Anionic Speciation","ACS Catalysis","2019","","","9789","","10.1021/acscatal.9b03132","","","0.71073","MoKα","","0.0937","0.0697","","","0.213","0.2362","","","","","","1.066","","","","has coordinates","220050","2020-10-21","18:00:00",""
"4514900","7.9972","0.0003","16.3553","0.0005","18.8545","0.0006","90","","90","","90","","2466.1","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 I O4 P -","- C28 H26 I O4 P -","- C112 H104 I4 O16 P4 -","4","1","","Duan, Longhui; Zhao, Kun; Wang, Zhonggui; Zhang, Feng-Lian; Gu, Zhenhua","Enantioselective Ring-Opening/Oxidative Phosphorylation and P-Transfer Reaction of Cyclic Diaryliodoniums","ACS Catalysis","2019","","","9852","","10.1021/acscatal.9b03454","","x-ray","0.71073","MoKα","","0.0389","0.0347","","","0.0642","0.0674","","","","","","1.076","","","","has coordinates","220059","2020-10-21","18:00:00",""
"4514902","7.18064","0.0001","15.0632","0.0002","19.4179","0.0003","90","","90","","90","","2100.31","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 O2 P -","- C24 H27 O2 P -","- C96 H108 O8 P4 -","4","1","","Duan, Longhui; Zhao, Kun; Wang, Zhonggui; Zhang, Feng-Lian; Gu, Zhenhua","Enantioselective Ring-Opening/Oxidative Phosphorylation and P-Transfer Reaction of Cyclic Diaryliodoniums","ACS Catalysis","2019","","","9852","","10.1021/acscatal.9b03454","","x-ray","1.54184","CuKα","","0.0418","0.0412","","","0.1095","0.1102","","","","","","1.077","","","","has coordinates","220061","2020-10-21","18:00:00",""
"4514907","5.4865","0.0002","19.6475","0.0005","20.5452","0.0006","90","","90","","90","","2214.69","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N3 O5 -","- C24 H27 N3 O5 -","- C96 H108 N12 O20 -","4","1","","Mishra, Nidhi; Singh, Anoop S.; Agrahari, Anand K.; Singh, Sumit K.; Singh, Mala; Tiwari, Vinod K.","Synthesis of Benz-Fused Azoles via C-Heteroatom Coupling Reactions Catalyzed by Cu(I) in the Presence of Glycosyltriazole Ligands.","ACS combinatorial science","2019","21","5","389","399","10.1021/acscombsci.9b00004","","x-ray","0.71073","MoKα","","0.0389","0.0334","","","0.0763","0.0802","","","","","","0.979","","","","has coordinates","220068","2020-10-21","18:00:00",""
"4514912","5.4995","0.0011","18.143","0.004","22.295","0.005","90","","90","","90","","2224.5","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming","Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.","ACS combinatorial science","2019","21","4","336","344","10.1021/acscombsci.9b00005","","","1.54178","CuKα","","0.0629","0.056","","","0.1442","0.1595","","","","","","1.082","","","","has coordinates","220073","2020-10-21","18:00:00",""
"4514915","8.2567","0.0002","10.4077","0.0003","20.4581","0.0005","90","","90","","90","","1758.03","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C76 H80 N8 O24 -","4","1","","Liu, Shih-I; Haung, Jia-Yun; Barve, Indrajeet J.; Huang, Sheng-Cih; Sun, Chung-Ming","Enantioselective Synthesis of Hydantoin and Diketopiperazine-Fused Tetrahydroisoquinolines via Pictet-Spengler Reaction.","ACS combinatorial science","2019","21","4","336","344","10.1021/acscombsci.9b00005","","","1.54178","CuKα","","0.0272","0.027","","","0.0701","0.0702","","","","","","1.075","","","","has coordinates","220076","2020-10-21","18:00:00",""
"4514931","10.2","0.002","17.04","0.003","19.9","0.004","90","0.03","90","0.03","90","0.03","3458.8","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","PdPHOX","","","- C168 H160 N4 O8 P4 Pd4 -","- C168 H160 N4 O8 P4 Pd4 -","- C168 H160 N4 O8 P4 Pd4 -","1","0.25","","Jones, Christopher G.; Asay, Matthew; Kim, Lee Joon; Kleinsasser, Jack F.; Saha, Ambarneil; Fulton, Tyler J.; Berkley, Kevin R.; Cascio, Duilio; Malyutin, Andrey G.; Conley, Matthew P.; Stoltz, Brian M.; Lavallo, Vincent; Rodríguez, José A; Nelson, Hosea M.","Characterization of Reactive Organometallic Species via MicroED.","ACS central science","2019","5","9","1507","1513","10.1021/acscentsci.9b00403","","","0.01969","300KeVelectrons","","0.1764","0.1432","","","0.3168","0.3504","","","","","","1.301","","","","has coordinates","220093","2020-10-21","18:00:00",""
"4514942","11.4475","0.0006","12.6239","0.0007","17.9127","0.001","90","","90","","90","","2588.6","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Cl2 N2 O6 -","- C25 H26 Cl2 N2 O6 -","- C100 H104 Cl8 N8 O24 -","4","1","","Ravi Kumar, G.; Ramesh, Boora; Yarlagadda, Suresh; Sridhar, Balasubramanian; Reddy, B. V. Subba","Organocatalytic Enantioselective Mannich Reaction: Direct Access to Chiral β-Amino Esters.","ACS omega","2019","4","1","2168","2177","10.1021/acsomega.8b02132","","","0.71073","MoKα","","0.0574","0.048","","","0.1146","0.1206","","","","","","0.953","","","","has coordinates","220108","2020-10-21","18:00:00",""
"4514951","5.8847","0.0001","10.0526","0.0002","31.9302","0.0007","90","","90","","90","","1888.88","0.06","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N3 O5 -","- C20 H18 Br N3 O5 -","- C80 H72 Br4 N12 O20 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0232","0.023","","","0.0591","0.0592","","","","","","1.091","","","","has coordinates","220117","2020-10-21","18:00:00",""
"4514956","9.5902","0.0002","9.6661","0.0002","20.341","0.0004","90","","90","","90","","1885.61","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O5 -","- C20 H19 N3 O5 -","- C80 H76 N12 O20 -","4","1","","Chaudhari, Prakash D.; Hong, Bor-Cherng; Wen, Chao-Lin; Lee, Gene-Hsiang","Asymmetric Synthesis of Spirocyclopentane Oxindoles Containing Four Consecutive Stereocenters and Quaternary α-Nitro Esters via Organocatalytic Enantioselective Michael-Michael Cascade Reactions.","ACS omega","2019","4","1","655","667","10.1021/acsomega.8b03049","","","1.54178","CuKα","","0.0344","0.0334","","","0.0881","0.0896","","","","","","1.039","","","","has coordinates","220122","2020-10-21","18:00:00",""
"4514970","8.607","0.003","10.031","0.004","19.09","0.007","90","","90","","90","","1648.2","1.1","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 I N2 O Pt -","- C15 H21 I N2 O Pt -","- C60 H84 I4 N8 O4 Pt4 -","4","1","","Azizpoor Fard, Mahmood; Behnia, Ava; Puddephatt, Richard J.","Models for Cooperative Catalysis: Oxidative Addition Reactions of Dimethylplatinum(II) Complexes with Ligands Having Both NH and OH Functionality.","ACS omega","2019","4","1","257","268","10.1021/acsomega.8b03089","","","0.71073","MoKα","","0.0401","0.0298","","","0.0632","0.0681","","","","","","0.84","","","","has coordinates","220132","2020-10-21","18:00:00",""
"4514979","5.2432","0.0009","10.3449","0.0019","17.386","0.004","90","","90","","90","","943","0.3","198","140","198","140","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 N2 O3 -","- C7 H14 N2 O3 -","- C28 H56 N8 O12 -","4","1","","Sasmal, Supriya; Roy Chowdhury, Srayoshi; Podder, Debasish; Haldar, Debasish","Urea-Appended Amino Acid To Vitalize Yeast Growth, Enhance Fermentation, and Promote Ethanol Production.","ACS omega","2019","4","8","13172","13179","10.1021/acsomega.9b01260","","x-ray","0.71073","MoKα","","0.0774","0.0676","","","0.1787","0.1915","","","","","","1.073","","","","has coordinates","220136","2020-10-21","18:00:00",""
"4515001","9.2253","0.0003","15.0663","0.0004","18.0574","0.0011","90","","90","","90","","2509.82","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Ag2 I4 N4 -","- C18 H22 Ag2 I4 N4 -","- C72 H88 Ag8 I16 N16 -","4","1","","Li, Yuan-Yuan; Wang, Fu-Rong; Li, Zi-Yan; Yan, Zhen-Ning; Niu, Yun-Yin","Assembly and Adsorption Properties of Seven Supramolecular Compounds with Heteromacrocycle Imidazolium.","ACS omega","2019","4","5","8926","8934","10.1021/acsomega.9b00669","","x-ray","0.71073","MoKα","","0.0538","0.0402","","","0.0517","0.0556","","","","","","0.986","","","","has coordinates","220149","2020-10-21","18:00:00",""
"4515009","10.7559","0.0008","13.2279","0.001","14.0925","0.0011","90","","90","","90","","2005.1","0.3","298","2","298.45","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 N4 -","- C28 H18 N4 -","- C112 H72 N16 -","4","1","","Chen, Zhicai; Li, Huanhuan; Tao, Ye; Chen, Lingfeng; Chen, Cailin; Jiang, He; Xu, Shen; Zhou, Xinhui; Chen, Runfeng; Huang, Wei","Tuning Intramolecular Conformation and Packing Mode of Host Materials through Noncovalent Interactions for High-Efficiency Blue Electrophosphorescence.","ACS omega","2019","4","5","9129","9134","10.1021/acsomega.9b00724","","","0.71073","MoKα","","0.0792","0.0574","","","0.1354","0.1535","","","","","","1.088","","","","has coordinates","220151","2020-10-21","18:00:00",""
"4515043","7.2398","0.0018","8.637","0.002","16.178","0.005","90","","90","","90","","1011.6","0.5","173","1","173","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 Cl N O2 S -","- C8 H16 Cl N O2 S -","- C32 H64 Cl4 N4 O8 S4 -","4","1","","Melnykov, Kostiantyn P.; Artemenko, Artem N.; Ivanenko, Bohdan O.; Sokolenko, Yevhenii M.; Nosik, Pavel S.; Ostapchuk, Eugeniy N.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.","Scalable Synthesis of Biologically Relevant Spirocyclic Pyrrolidines.","ACS omega","2019","4","4","7498","7515","10.1021/acsomega.9b00896","","","0.71073","MoKα","","0.045","0.0363","","","0.0801","0.084","","","","","","1.061","","","","has coordinates","220167","2020-10-21","18:00:00",""
"4515073","6.5684","0.0011","17.59","0.003","33.828","0.005","90","","90","","90","","3908.4","1.1","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cu N O5 -","- C21 H21 Cu N O5 -","- C168 H168 Cu8 N8 O40 -","8","2","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.1215","0.1104","","","0.2752","0.2805","","","","","","1.112","","","","has coordinates","220197","2020-10-21","18:00:00",""
"4515074","5.0624","0.0006","12.238","0.0015","21.83","0.003","90","","90","","90","","1352.4","0.3","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cu N O3 -","- C16 H15 Cu N O3 -","- C64 H60 Cu4 N4 O12 -","4","1","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.0449","0.0368","","","0.0732","0.076","","","","","","1.077","","","","has coordinates","220198","2020-10-21","18:00:00",""
"4515075","5.0732","0.0002","12.2596","0.0007","21.8597","0.0012","90","","90","","90","","1359.57","0.12","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cu N O3 -","- C16 H15 Cu N O3 -","- C64 H60 Cu4 N4 O12 -","4","1","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.0261","0.0234","","","0.0564","0.0576","","","","","","1.095","","","","has coordinates","220199","2020-10-21","18:00:00",""
"4515076","6.5975","0.0007","17.636","0.002","33.817","0.004","90","","90","","90","","3934.7","0.8","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cu N O5 -","- C21 H21 Cu N O5 -","- C168 H168 Cu8 N8 O40 -","8","2","","Zehra, Siffeen; Roisnel, Thierry; Arjmand, Farukh","Enantiomeric Amino Acid Schiff Base Copper(II) Complexes as a New Class of RNA-Targeted Metallo-Intercalators: Single X-ray Crystal Structural Details, Comparative in Vitro DNA/RNA Binding Profile, Cleavage, and Cytotoxicity","ACS Omega","2019","4","4","7691","","10.1021/acsomega.9b00131","","x-ray","0.71073","MoKα","","0.0563","0.047","","","0.105","0.1083","","","","","","1.09","","","","has coordinates","220200","2020-10-21","18:00:00",""
"4515121","11.884","0.002","20.255","0.004","20.493","0.004","90","","90","","90","","4932.9","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H84 Cl2 Ge Si7 -","- C36 H84 Cl2 Ge Si7 -","- C144 H336 Cl8 Ge4 Si28 -","4","1","","Lee, Vladimir Ya; Horiguchi, Satoru; Sekiguchi, Akira; Gapurenko, Olga A.; Gribanova, Tatyana N.; Minkin, Vladimir I.; Gornitzka, Heinz","Tuning Philicity of Dichlorosilylene: Nucleophilic Behavior of the Dichlorosilylene-NHC Complex Cl<sub>2</sub>Si-IPr.","ACS omega","2019","4","2","2902","2906","10.1021/acsomega.8b03429","","","0.71073","MoKα","","0.1403","0.1044","","","0.2728","0.3004","","","","","","1.065","","","","has coordinates,has disorder","220235","2020-10-21","18:00:00",""
"4515125","6.2644","0.0009","9.8335","0.0014","27.698","0.004","90","","90","","90","","1706.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl N3 O3 -","- C18 H18 Cl N3 O3 -","- C72 H72 Cl4 N12 O12 -","4","1","","Zi, Quan-Xing; Yan, Sheng-Jiao; Yang, Chang-Long; Li, Kun; Lin, Jun","Three-Component Cascade Reaction of 1,1-Enediamines, <i>N</i>,<i>N</i>-Dimethylformamide Dimethyl Acetal, and 1,3-Dicarbonyl Compounds: Selective Synthesis of Diverse 2-Aminopyridine Derivatives.","ACS omega","2019","4","2","2863","2873","10.1021/acsomega.8b03284","","","0.71073","MoKα","","0.0553","0.0369","","","0.0747","0.0827","","","","","","1.031","","","","has coordinates","220239","2020-10-21","18:00:00",""
"4515136","7.88777","0.00011","15.4336","0.0002","24.6842","0.0004","90","","90","","90","","3004.97","0.08","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H42 O2 -","- C40 H42 O2 -","- C160 H168 O8 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.0441","0.0404","","","0.1035","0.1065","","","","","","1.034","","","","has coordinates","220248","2020-10-21","18:00:00",""
"4515137","7.67545","0.00013","10.23967","0.00017","26.7674","0.0004","90","","90","","90","","2103.76","0.06","130","0.14","130","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 O -","- C29 H24 O -","- C116 H96 O4 -","4","1","","Mądry, Tomasz; Czapik, Agnieszka; Kwit, Marcin","Optical Activity and Helicity Enhancement of Highly Sensitive Dinaphthylmethane-Based Stereodynamic Probes for Secondary Alcohols.","ACS omega","2019","4","2","3244","3256","10.1021/acsomega.8b03337","","x-ray","1.54184","CuKα","","0.0361","0.0349","","","0.0913","0.0926","","","","","","1.055","","","","has coordinates","220248","2020-10-21","18:00:00",""
"4515148","5.2019","0.0001","11.2334","0.0003","28.6154","0.0006","90","","90","","90","","1672.14","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","24","","","- C15 H24 F3 N O4 -","- C15 H24 F3 N O4 -","- C60 H96 F12 N4 O16 -","4","1","","Reeve, Philip A. P.; Grabowska, Urszula; Oden, Lourdes Salvador; Wiktelius, Daniel; Wångsell, Fredrik; Jackson, Richard F. W.","Radical Functionalization of Unsaturated Amino Acids: Synthesis of Side-Chain-Fluorinated, Azido-Substituted, and Hydroxylated Amino Acids.","ACS omega","2019","4","6","10854","10865","10.1021/acsomega.9b01509","","","1.54178","CuKα","","0.0271","0.026","","","0.0646","0.0656","","","","","","1.092","","","","has coordinates","220257","2020-10-21","18:00:00",""
"4515160","9.2098","0.0016","10.1883","0.0018","18.326","0.004","90","","90","","90","","1719.6","0.6","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Zheng, Hao; Ni, Cailing; Chen, Hang; Zha, Daijun; Hai, Yu; Ye, Hebo; You, Lei","Regulation of Axial Chirality through Dynamic Covalent Bond Constrained Biaryls.","ACS omega","2019","4","6","10273","10278","10.1021/acsomega.9b01273","","","0.71073","MoKα","","0.048","0.0401","","","0.1097","0.1207","","","","","","1.233","","","","has coordinates","220262","2020-10-21","18:00:00",""
"4515176","10.1242","0.0006","13.9473","0.0006","35.3927","0.0017","90","","90","","90","","4997.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rifampicin methanol trisolvate","","","- C46 H70 N4 O15 -","- C46 H70 N4 O15 -","- C184 H280 N16 O60 -","4","1","","Pyta, Krystian; Janas, Anna; Skrzypczak, Natalia; Schilf, Wojciech; Wicher, Barbara; Gdaniec, Maria; Bartl, Franz; Przybylski, Piotr","Specific Interactions between Rifamycin Antibiotics and Water Influencing Ability To Overcome Natural Cell Barriers and the Range of Antibacterial Potency.","ACS infectious diseases","2019","5","10","1754","1763","10.1021/acsinfecdis.9b00176","","","0.71073","MoKα","","0.1721","0.0455","","","0.0695","0.095","","","","","","0.827","","","","has coordinates","220278","2020-10-21","18:00:00",""
"4515205","10.72692","0.00012","12.7876","0.00014","39.6389","0.0003","90","","90","","90","","5437.33","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H68 F6 N7 O13 -","- C46 H68 F6 N7 O13 -","- C184 H272 F24 N28 O52 -","4","1","","Mondal, Sudipta; Basavalingapp, Vasantha; Jacoby, Guy; Shimon, Linda J. W.; Beck, Roy; Gazit, Ehud","Functional Coiled-Coil like Assembly by Knob-into-Hole Packing of Single Heptad Repeat.","ACS nano","2019","","","","","10.1021/acsnano.9b04148","","","1.54184","CuKα","","0.0522","0.0497","","","0.1355","0.1376","","","","","","1.044","","","","has coordinates","220313","2020-10-21","18:00:00",""
"4515224","11.21892","0.00011","11.41336","0.00011","47.0823","0.0004","90","","90","","90","","6028.68","0.1","100.01","0.1","100","0.1","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 F6 N4 O4 S2 -","- C8 H10 F6 N4 O4 S2 -","- C128 H160 F96 N64 O64 S32 -","16","4","","Zulfiqar, Sonia; Mantione, Daniele; El Tall, Omar; Ruipérez, Fernando; Sarwar, Muhammad Ilyas; Rothenberger, Alexander; Mecerreyes, David","Pyridinium Containing Amide Based Polymeric Ionic Liquids for CO2/CH4 Separation","ACS Sustainable Chemistry & Engineering","2019","7","12","10241","","10.1021/acssuschemeng.9b01903","","x-ray","1.54184","","","0.0354","0.0334","","","0.0783","0.0791","","","","","","1.05","","","","has coordinates","220324","2020-10-21","18:00:00",""
"4515280","5.0163","0.0002","19.3714","0.0008","24.5442","0.001","90","","90","","90","","2385.03","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 N O5 -","- C30 H25 N O5 -","- C120 H100 N4 O20 -","4","1","","Arnon, Zohar A.; Pinotsi, Dorothea; Schmidt, Matthias; Gilead, Sharon; Guterman, Tom; Sadhanala, Aditya; Ahmad, Shahab; Levin, Aviad; Walther, Paul; Kaminski, Clemens F.; Fändrich, Marcus; Kaminski Schierle, Gabriele S.; Adler-Abramovich, Lihi; Shimon, Linda J. W.; Gazit, Ehud","Opal-like Multicolor Appearance of Self-Assembled Photonic Array.","ACS applied materials & interfaces","2018","10","24","20783","20789","10.1021/acsami.8b04912","","","1.54178","CuKα","","0.152","0.073","","","0.1489","0.1809","","","","","","1.102","","","","has coordinates","225448","2020-10-21","18:00:00",""
"4515462","7.4443","0.0002","10.4007","0.0003","31.5827","0.0008","90","","90","","90","","2445.32","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 B F2 O4 Si -","- C22 H33 B F2 O4 Si -","- C88 H132 B4 F8 O16 Si4 -","4","1","","Guo, Wen-Hao; Zhao, Hai-Yang; Luo, Zhi-Ji; Zhang, Shu; Zhang, Xingang","Fluoroalkylation‒Borylation of Alkynes: An Efficient Method To Obtain (Z)-Tri- and Tetrasubstituted Fluoroalkylated Alkenylboronates","ACS Catalysis","2018","9","1","38","","10.1021/acscatal.8b02842","","","1.54178","CuKα","","0.0692","0.0659","","","0.1877","0.1919","","","","","","1.052","","","","has coordinates","225617","2020-10-21","18:00:00",""
"4515468","9.8665","0.0007","19.0145","0.0013","31.36","0.002","90","","90","","90","","5883.3","0.7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H79 N6 O15 P -","- C60 H79 N6 O15 P -","- C240 H316 N24 O60 P4 -","4","1","","Featherston, Aaron L.; Shugrue, Christopher R.; Mercado, Brandon Q.; Miller, Scott J.","Phosphothreonine (pThr)-Based Multifunctional Peptide Catalysis for Asymmetric Baeyer-Villiger Oxidations of Cyclobutanones.","ACS catalysis","2019","9","1","242","252","10.1021/acscatal.8b04132","","","1.54178","CuKα","","0.0565","0.0476","","","0.1271","0.1348","","","","","","1.048","","","","has coordinates","225623","2020-10-21","18:00:00",""
"4515482","11.6704","0.0003","12.4895","0.0004","24.8148","0.0007","90","","90","","90","","3616.94","0.18","83","","83","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Br N3 O7 -","- C41 H48 Br N3 O7 -","- C164 H192 Br4 N12 O28 -","4","1","","Paria, Suva; Kang, Qi-Kai; Hatanaka, Miho; Maruoka, Keiji","Design of Efficient Chiral Bifunctional Phase-Transfer Catalysts Possessing an Amino Functionality for Asymmetric Aminations","ACS Catalysis","2018","9","1","78","","10.1021/acscatal.8b03292","","","1.54187","CuKα","","0.0463","0.0412","","","0.1115","0.1187","","","","","","0.903","","","","has coordinates","225637","2020-10-21","18:00:00",""
"4515483","14.9159","0.0005","18.747","0.0007","20.4012","0.0009","90","","90","","90","","5704.8","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H72 N2 Ni -","- C71 H72 N2 Ni -","- C284 H288 N8 Ni4 -","4","1","","Cai, Yuan; Zhang, Jia-Wen; Li, Feng; Liu, Jia-Ming; Shi, Shi-Liang","Nickel/N-Heterocyclic Carbene Complex-Catalyzed Enantioselective Redox-Neutral Coupling of Benzyl Alcohols and Alkynes to Allylic Alcohols","ACS Catalysis","2018","9","1","1","","10.1021/acscatal.8b04198","","","0.71073","MoKα","","0.0618","0.042","","","0.0824","0.0931","","","","","","1.029","","","","has coordinates","225638","2020-10-21","18:00:00",""
"4515490","7.3795","0.0004","13.4511","0.0007","21.1096","0.0011","90","","90","","90","","2095.39","0.19","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Al N3 -","- C24 H24 Al N3 -","- C96 H96 Al4 N12 -","4","1","","Zhang, Guoqi; Wu, Jing; Zeng, Haisu; Neary, Michelle C.; Devany, Matthew; Zheng, Shengping; Dub, Pavel A.","Dearomatization and Functionalization of Terpyridine Ligands Leading to Unprecedented Zwitterionic Meisenheimer Aluminum Complexes and Their Use in Catalytic Hydroboration","ACS Catalysis","2018","9","2","874","","10.1021/acscatal.8b04096","","","0.71073","MoKα","","0.0939","0.0537","","","0.1143","0.1352","","","","","","1.037","","","","has coordinates,has disorder","225645","2020-10-21","18:00:00",""
"4515507","8.6146","0.0005","17.039","0.0011","19.7629","0.0011","90","","90","","90","","2900.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 Cl Fe N2 -","- C28 H41 Cl Fe N2 -","- C112 H164 Cl4 Fe4 N8 -","4","1","","Liang, Qiuming; Sheng, Kai; Salmon, Andrew; Zhou, Vivian Yue; Song, Datong","Active Iron(II) Catalysts toward gem-Specific Dimerization of Terminal Alkynes","ACS Catalysis","2018","9","2","810","","10.1021/acscatal.8b03552","","","0.71073","MoKα","","0.0952","0.0519","","","0.0955","0.1091","","","","","","1.002","","","","has coordinates","225663","2020-10-21","18:00:00",""
"4515512","9.1036","0.0002","13.3256","0.0002","36.2038","0.0006","90","","90","","90","","4391.92","0.14","170","2","170.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C208 H240 N16 O24 -","8","2","","Shen, Hong-Cheng; Zhang, Ling; Chen, Shu-Sen; Feng, Jiajie; Zhang, Bo-Wen; Zhang, Ying; Zhang, Xinhao; Wu, Yun-Dong; Gong, Liu-Zhu","Enantioselective Addition of Cyclic Ketones to Unactivated Alkenes Enabled by Amine/Pd(II) Cooperative Catalysis","ACS Catalysis","2018","9","2","791","","10.1021/acscatal.8b04654","","","1.34139","GaKα","","0.0615","0.0598","","","0.1593","0.1614","","","","","","1.024","","","","has coordinates","225668","2020-10-21","18:00:00",""
"4515513","9.0909","0.0003","13.2501","0.0004","36.0908","0.0012","90","","90","","90","","4347.3","0.2","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Br N2 O2 -","- C25 H27 Br N2 O2 -","- C200 H216 Br8 N16 O16 -","8","2","","Shen, Hong-Cheng; Zhang, Ling; Chen, Shu-Sen; Feng, Jiajie; Zhang, Bo-Wen; Zhang, Ying; Zhang, Xinhao; Wu, Yun-Dong; Gong, Liu-Zhu","Enantioselective Addition of Cyclic Ketones to Unactivated Alkenes Enabled by Amine/Pd(II) Cooperative Catalysis","ACS Catalysis","2018","9","2","791","","10.1021/acscatal.8b04654","","","1.34139","GaKα","","0.0646","0.0468","","","0.1017","0.1124","","","","","","1.043","","","","has coordinates,has disorder","225669","2020-10-21","18:00:00",""
"4515516","11.0919","0.0007","18.3376","0.0011","21.9261","0.0013","90","","90","","90","","4459.7","0.5","137","2","137","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H51 Co K N6 O11 -","- C41 H51 Co K N6 O11 -","- C164 H204 Co4 K4 N24 O44 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0516","0.0443","","","0.097","0.1007","","","","","","1.085","","","","has coordinates","225672","2020-10-21","18:00:00",""
"4515528","11.1683","0.0017","18.406","0.003","21.83","0.003","90","","90","","90","","4487.5","1.2","137","2","137","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H51 Fe K N6 O11 -","- C41 H51 Fe K N6 O11 -","- C164 H204 Fe4 K4 N24 O44 -","4","1","","Bagchi, Vivek; Kalra, Anshika; Das, Purak; Paraskevopoulou, Patrina; Gorla, Saidulu; Ai, Lin; Wang, Qiuwen; Mohapatra, Sudip; Choudhury, Amitava; Sun, Zhicheng; Cundari, Thomas R.; Stavropoulos, Pericles","Comparative Nitrene-Transfer Chemistry to Olefinic Substrates Mediated by a Library of Anionic Mn(II) Triphenylamido-Amine Reagents and M(II) Congeners (M = Fe, Co, Ni) Favoring Aromatic over Aliphatic Alkenes","ACS Catalysis","2018","8","10","9183","","10.1021/acscatal.8b01941","","","0.71073","MoKα","","0.0355","0.0344","","","0.0904","0.0913","","","","","","1.037","","","","has coordinates","225685","2020-10-21","18:00:00",""
"4515537","6.1285","0.0001","10.8042","0.0002","30.5592","0.0006","90","","90","","90","","2023.43","0.06","120","2","119.96","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Cl N O2 -","- C25 H20 Cl N O2 -","- C100 H80 Cl4 N4 O8 -","4","1","","Dong, Kuiyong; Pei, Chao; Zeng, Qian; Wei, Hanlin; Doyle, Michael P.; Xu, Xinfang","Selective C(sp3)‒H Bond Insertion in Carbene/Alkyne Metathesis Reactions. Enantioselective Construction of Dihydroindoles","ACS Catalysis","2018","8","10","9543","","10.1021/acscatal.8b02822","","","1.54178","CuKα","","0.0267","0.0262","","","0.0661","0.0666","","","","","","1.045","","","","has coordinates","225694","2020-10-21","18:00:00",""
"4515541","9.0462","0.0004","11.8256","0.0005","23.9232","0.0009","90","","90","","90","","2559.23","0.18","108","2","108","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N4 O7 -","- C28 H26 N4 O7 -","- C112 H104 N16 O28 -","4","1","","Wang, Jilan; Li, Yongjia; Sun, Jun; Wang, Hongling; Jin, Zhichao; Chi, Yonggui Robin","Carbene-Catalyzed Enantioselective Addition of Benzylic Carbon to Unsaturated Acyl Azolium for Rapid Synthesis of Pyrrolo[3,2-c]quinolines","ACS Catalysis","2018","8","10","9859","","10.1021/acscatal.8b02651","","","0.71073","MoKα","","0.1373","0.0671","","","0.1144","0.1435","","","","","","1.014","","","","has coordinates","225698","2020-10-21","18:00:00",""
"4515576","5.612","0.0009","7.5305","0.0014","37.033","0.006","90","","90","","90","","1565.1","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Cl O -","- C19 H17 Cl O -","- C76 H68 Cl4 O4 -","4","1","","Teng, Huai-Long; Ma, Yuanhong; Zhan, Gu; Nishiura, Masayoshi; Hou, Zhaomin","Asymmetric C(sp)‒H Addition of Terminal Alkynes to Cyclopropenes by a Chiral Gadolinium Catalyst","ACS Catalysis","2018","8","5","4705","","10.1021/acscatal.8b01189","","","0.71073","MoKα","","0.0532","0.0491","","","0.1252","0.1301","","","","","","1.049","","","","has coordinates","225727","2020-10-21","18:00:00",""
"4515582","10.1881","0.0007","13.7426","0.0011","20.6392","0.0016","90","","90","","90","","2889.7","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 N3 O2 P2 Re -","- C25 H40 N3 O2 P2 Re -","- C100 H160 N12 O8 P8 Re4 -","4","1","","Glatz, Mathias; Stöger, Berthold; Himmelbauer, Daniel; Veiros, Luis F.; Kirchner, Karl","Chemoselective Hydrogenation of Aldehydes under Mild, Base-Free Conditions: Manganese Outperforms Rhenium.","ACS catalysis","2018","8","5","4009","4016","10.1021/acscatal.8b00153","","x-ray","0.71073","MoKα","","0.0764","0.0484","","","0.0991","0.1115","","","","1.18","1.18","1.11","","","","has coordinates","225733","2020-10-21","18:00:00",""
"4515602","10.1006","0.0007","18.0014","0.0013","42.163","0.003","90","","90","","90","","7666.3","0.9","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H54 N4 Ni -","- C44 H54 N4 Ni -","- C352 H432 N32 Ni8 -","8","2","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","x-ray","0.71073","MoKα","","0.0689","0.0487","","","0.0911","0.0976","","","","","","1.042","","","","has coordinates","225746","2020-10-21","18:00:00",""
"4515604","12.855","0.003","21.217","0.004","24.26","0.005","90","","90","","90","","6617","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H80 Cl2 N6 Ni2 -","- C64 H80 Cl2 N6 Ni2 -","- C256 H320 Cl8 N24 Ni8 -","4","1","","Rull, Silvia G.; Funes-Ardoiz, Ignacio; Maya, Celia; Maseras, Feliu; Fructos, Manuel R.; Belderrain, Tomás R.; Nicasio, M. Carmen","Elucidating the Mechanism of Aryl Aminations Mediated by NHC-Supported Nickel Complexes: Evidence for a Nonradical Ni(0)/Ni(II) Pathway","ACS Catalysis","2018","8","5","3733","","10.1021/acscatal.8b00856","","","0.71073","MoKα","","0.0802","0.0475","","","0.0796","0.0867","","","","","","0.952","","","","has coordinates","225748","2020-10-21","18:00:00",""
"4515606","10.5276","0.0013","10.7464","0.0014","18.567","0.002","90","","90","","90","","2100.6","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","VAL1","","","- C22 H37 Ir N P -","- C22 H37 Ir N P -","- C88 H148 Ir4 N4 P4 -","4","1","","Cherepakhin, Valeriy; Williams, Travis J.","Iridium Catalysts for Acceptorless Dehydrogenation of Alcohols to Carboxylic Acids: Scope and Mechanism.","ACS catalysis","2018","8","5","3754","3763","10.1021/acscatal.8b00105","","","0.71073","MoKα","","0.0145","0.0143","","","0.0354","0.0354","","","","","","1.128","","","","has coordinates","225750","2020-10-21","18:00:00",""
"4515622","5.2204","0.0012","11.214","0.003","11.717","0.003","90","","90","","90","","685.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Br Cl O -","- C6 H4 Br Cl O -","- C24 H16 Br4 Cl4 O4 -","4","1","","Xiong, Xiaodong; Yeung, Ying-Yeung","Ammonium Salt-Catalyzed Highly Practical Ortho-Selective Monohalogenation and Phenylselenation of Phenols: Scope and Applications","ACS Catalysis","2018","8","5","4033","","10.1021/acscatal.8b00327","","","0.71073","MoKα","","0.0641","0.0545","","","0.1707","0.1833","","","","","","1.149","","","","has coordinates","225766","2020-10-21","18:00:00",""
"4515628","8.793","0.0007","10.1042","0.0008","16.0484","0.0015","90","","90","","90","","1425.8","0.2","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Biosca, Maria; Margalef, Jèssica; Caldentey, Xisco; Besora, Maria; Rodríguez-Escrich, Carles; Saltó, Joan; Cambeiro, Xacobe C.; Maseras, Feliu; Pàmies, Oscar; Diéguez, Montserrat; Pericàs, Miquel A.","Computationally Guided Design of a Readily Assembled Phosphite‒Thioether Ligand for a Broad Range of Pd-Catalyzed Asymmetric Allylic Substitutions","ACS Catalysis","2018","8","4","3587","","10.1021/acscatal.7b04192","","","0.7107","MoKα","","0.0279","0.023","","","0.0604","0.0639","","","","","","1.058","","","","has coordinates","225772","2020-10-21","18:00:00",""
"4515630","6.6275","0.0005","8.0167","0.0007","22.6419","0.0019","90","","90","","90","","1202.98","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Brandenberg, Oliver F.; Prier, Christopher K.; Chen, Kai; Knight, Anders M.; Wu, Zachary; Arnold, Frances H.","Stereoselective Enzymatic Synthesis of Heteroatom-Substituted Cyclopropanes","ACS Catalysis","2018","8","4","2629","","10.1021/acscatal.7b04423","","","1.54178","CuKα","","0.0336","0.0334","","","0.0889","0.0892","","","","","","1.154","","","","has coordinates","225774","2020-10-21","18:00:00",""
"4515641","13.8095","0.0006","15.6122","0.0006","19.5369","0.0009","90","","90","","90","","4212.1","0.3","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 Cl6 N P Pd -","- C41 H50 Cl6 N P Pd -","- C164 H200 Cl24 N4 P4 Pd4 -","4","1","","Ding, Linlin; Sui, Xianwei; Gu, Zhenhua","Enantioselective Synthesis of Biaryl Atropisomers via Pd/Norbornene-Catalyzed Three-Component Cross-Couplings","ACS Catalysis","2018","8","6","5630","","10.1021/acscatal.8b01037","","x-ray","0.71073","MoKα","","0.0442","0.0387","","","0.0796","0.0827","","","","","","1.03","","","","has coordinates","225782","2020-10-21","18:00:00",""
"4515646","9.6879","0.001","9.8487","0.0011","34.927","0.004","90","","90","","90","","3332.5","0.6","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H38 Br N O Si2 -","- C39 H38 Br N O Si2 -","- C156 H152 Br4 N4 O4 Si8 -","4","1","","Meng, Fei-Fan; Xie, Jia-Hao; Xu, Yun-He; Loh, Teck-Peng","Catalytically Asymmetric Synthesis of 1,3-Bis(silyl)propenes via Copper-Catalyzed Double Proto-Silylations of Polar Enynes","ACS Catalysis","2018","8","6","5306","","10.1021/acscatal.8b00999","","","0.71073","MoKα","","0.0508","0.0421","","","0.0921","0.095","","","","","","1.01","","","","has coordinates","225787","2020-10-21","18:00:00",""
"4515653","7.8069","0.0003","7.8369","0.0002","35.3156","0.0011","90","","90","","90","","2160.68","0.12","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Cl F3 O2 S -","- C25 H18 Cl F3 O2 S -","- C100 H72 Cl4 F12 O8 S4 -","4","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","1.54178","CuKα","","0.0549","0.0536","","","0.1259","0.1264","","","","","","1.197","","","","has coordinates","225791","2020-10-21","18:00:00",""
"4515655","9.3182","0.0004","10.5061","0.0005","24.8751","0.0012","90","","90","","90","","2435.2","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23.7 H15 Cl2.1 D0.7 F3 O4 S -","- C23.7 H15 Cl2.1 D0.7 F3 O4 S -","- C94.8 H60 Cl8.4 D2.8 F12 O16 S4 -","4","1","","Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L.","Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones.","ACS catalysis","2018","8","6","5443","5447","10.1021/acscatal.8b00906","","","0.71073","MoKα","","0.1015","0.0694","","","0.1775","0.1966","","","","","","1.048","","","","has coordinates","225793","2020-10-21","18:00:00",""
"4515660","6.1287","0.0003","17.2349","0.0008","21.6302","0.0011","90","","90","","90","","2284.74","0.19","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl3 F3 N2 O4 S -","- C18 H22 Cl3 F3 N2 O4 S -","- C72 H88 Cl12 F12 N8 O16 S4 -","4","1","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0397","0.0386","","","0.0983","0.0991","","","","","","1.029","","","","has coordinates","225798","2020-10-21","18:00:00",""
"4515662","11.579","0.0003","16.9733","0.0005","18.2465","0.0004","90","","90","","90","","3586.05","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 F3 N O2 -","- C16 H26 F3 N O2 -","- C128 H208 F24 N8 O16 -","8","2","","Zhu, Cheng-Liang; Wang, Cheng; Qin, Qi-Xue; Yruegas, Sam; Martin, Caleb D.; Xu, Hao","Iron(II)-Catalyzed Azidotrifluoromethylation of Olefins and N-Heterocycles for Expedient Vicinal Trifluoromethyl Amine Synthesis.","ACS catalysis","2018","8","6","5032","5037","10.1021/acscatal.8b01253","","","1.54178","CuKα","","0.0831","0.0515","","","0.1106","0.1265","","","","","","1.01","","","","has coordinates","225800","2020-10-21","18:00:00",""
"4515678","9.2626","0.0003","11.273","0.0005","36.0958","0.0014","90","","90","","90","","3769","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MFtBu","","","- C21 H22 N2 O2 S -","- C21 H22 N2 O2 S -","- C168 H176 N16 O16 S8 -","8","2","","Rigotti, Thomas; Casado-Sánchez, Antonio; Cabrera, Silvia; Pérez-Ruiz, Raúl; Liras, Marta; de la Peña O’Shea, Víctor A.; Alemán, José","A Bifunctional Photoaminocatalyst for the Alkylation of Aldehydes: Design, Analysis, and Mechanistic Studies","ACS Catalysis","2018","8","7","5928","","10.1021/acscatal.8b01331","","","0.71073","","","0.0621","0.0425","","","0.1126","0.1405","","","","","","1.089","","","","has coordinates","225811","2020-10-21","18:00:00",""
"4515686","11.625","0.0008","21.7951","0.0018","24.924","0.002","90","","90","","90","","6314.9","0.8","100","","100","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C57 H53 Au Cl F18 N3 O4 P Sb -","- C57 H53 Au Cl F18 N3 O4 P Sb -","- C228 H212 Au4 Cl4 F72 N12 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0684","0.0554","","","0.153","0.1626","","","","","","1.039","","","","has coordinates","225819","2020-10-21","18:00:00",""
"4515688","14.5593","0.0007","16.985","0.003","18.089","0.003","90","","90","","90","","4473.2","1.1","100","2","100","2","","","","","","","dichloromethane,pentane","8","P 21 21 21","P 2ac 2ab","19","","2-(5,6-dimethoxy-4,4,7,7-tetraphenyl-1,3,2-dioxaphosphepan-2-yl)- 1,3-diisopropyl-1H-imidazol-3-ium hexafluoroantimonate dichloromethane solvate","","- C42 H50 Cl2 F6 N2 O4 P Sb -","- C41.9999 H49.9998 Cl1.9998 F6 N2 O4 P Sb -","- C168 H199.999 Cl7.9992 F24 N8 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0796","0.0597","","","0.1454","0.1608","","","","","","1.037","","","","has coordinates,has disorder","225821","2020-10-21","18:00:00",""
"4515690","6.7543","0.0004","9.853","0.0004","31.4363","0.0018","90","","90","","90","","2092.09","0.19","100","","100.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 Br2 -","- C28 H18 Br2 -","- C112 H72 Br8 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0166","0.0164","","","0.0455","0.0456","","","","","","1.085","","","","has coordinates","225823","2020-10-21","18:00:00",""
"4515692","11.8911","0.0012","20.269","0.002","26.818","0.003","90","","90","","90","","6463.7","1.2","100.02","","100.02","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C56 H48 Au Cl5 F18 N2 O4 P Sb -","- C55.9999 H47.9998 Au Cl4.9998 F18 N2 O4 P Sb -","- C224 H191.999 Au4 Cl19.9992 F72 N8 O16 P4 Sb4 -","4","1","","Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel","TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation","ACS Catalysis","2018","8","7","6079","","10.1021/acscatal.8b01374","","","0.71073","MoKα","","0.0512","0.0439","","","0.1132","0.1173","","","","","","1.035","","","","has coordinates,has disorder","225825","2020-10-21","18:00:00",""
"4515708","8.8312","0.0004","11.2095","0.0006","16.7904","0.0009","90","","90","","90","","1662.14","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Li, Kaizhi; Jin, Zhichao; Chan, Wai-Lun; Lu, Yixin","Enantioselective Construction of Bicyclic Pyran and Hydrindane Scaffolds via Intramolecular Rauhut‒Currier Reactions Catalyzed by Thiourea-Phosphines","ACS Catalysis","2018","8","9","8810","","10.1021/acscatal.8b02706","","","1.54178","CuKα","","0.02","0.0193","","","0.0488","0.0491","","","","","","1.044","","","","has coordinates","225840","2020-10-21","18:00:00",""
"4515741","9.6875","0.001","13.7823","0.0016","17.6769","0.0018","90","","90","","90","","2360.1","0.4","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Cl3 Ir N O3 -","- C21 H25 Cl3 Ir N O3 -","- C84 H100 Cl12 Ir4 N4 O12 -","4","1","","Zhou, Gang; Aboo, Ahmed H.; Robertson, Craig M.; Liu, Ruixia; Li, Zhenhua; Luzyanin, Konstantin; Berry, Neil G.; Chen, Weiping; Xiao, Jianliang","N,O- vs N,C-Chelation in Half-Sandwich Iridium Complexes: A Dramatic Effect on Enantioselectivity in Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2018","8","9","8020","","10.1021/acscatal.8b02068","","","0.71073","MoKα","","0.0494","0.0378","","","0.094","0.0988","","","","","","1.042","","","","has coordinates","225866","2020-10-21","18:00:00",""
"4515758","9.1903","0.0002","10.9348","0.0003","17.0654","0.0004","90","","90","","90","","1714.97","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N O2 P -","- C20 H18 N O2 P -","- C80 H72 N4 O8 P4 -","4","1","","Wang, Huamin; Li, Yongli; Tang, Zilu; Wang, Shengchun; Zhang, Heng; Cong, Hengjiang; Lei, Aiwen","Z-Selective Addition of Diaryl Phosphine Oxides to Alkynes via Photoredox Catalysis","ACS Catalysis","2018","8","11","10599","","10.1021/acscatal.8b02617","","","1.54178","CuKα","","0.0671","0.0655","","","0.167","0.1691","","","","","","1.092","","","","has coordinates","225883","2020-10-21","18:00:00",""
"4515763","12.2999","0.0013","14.3668","0.0016","15.8349","0.0018","90","","90","","90","","2798.2","0.5","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl F N4 O8 -","- C27 H28 Cl F N4 O8 -","- C108 H112 Cl4 F4 N16 O32 -","4","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","0.71073","MoKα","","0.1043","0.067","","","0.169","0.1906","","","","","","1.031","","","","has coordinates","225888","2020-10-21","18:00:00",""
"4515764","12.4437","0.0012","15.4069","0.0015","15.5019","0.0016","90","","90","","90","","2972","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N4 O8 -","- C27 H28 Cl2 N4 O8 -","- C108 H112 Cl8 N16 O32 -","4","1","","Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can","Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions","ACS Catalysis","2018","8","11","10180","","10.1021/acscatal.8b02157","","","0.71073","MoKα","","0.0631","0.0487","","","0.1304","0.1408","","","","","","1.054","","","","has coordinates,has disorder","225889","2020-10-21","18:00:00",""
"4515776","7.4546","0.0012","13.367","0.002","24.063","0.004","90","","90","","90","","2397.8","0.7","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br I N2 O4 S -","- C24 H22 Br I N2 O4 S -","- C96 H88 Br4 I4 N8 O16 S4 -","4","1","","Struble, Thomas J.; Lankswert, Hannah M.; Pink, Maren; Johnston, Jeffrey N.","Enantioselective Organocatalytic Amine-Isocyanate Capture-Cyclization: Regioselective Alkene Iodoamination for the Synthesis of Chiral Cyclic Ureas.","ACS catalysis","2018","8","12","11926","11931","10.1021/acscatal.8b03708","","","0.71073","MoKα","","0.0322","0.0284","","","0.0682","0.0694","","","","","","1.05","","","","has coordinates","225901","2020-10-21","18:00:00",""
"4515801","9.8622","0.0009","17.5716","0.0013","19.3465","0.0016","90","","90","","90","","3352.6","0.5","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 Cl2 N4 W -","- C34 H44 Cl2 N4 W -","- C136 H176 Cl8 N16 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0409","0.0297","","","0.0559","0.0595","","","","","","0.998","","","","has coordinates,has disorder","225918","2020-10-21","18:00:00",""
"4515802","10.5486","0.0009","16.4202","0.0014","17.086","0.0013","90","","90","","90","","2959.5","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 Cl2 N2 P W -","- C27 H43 Cl2 N2 P W -","- C108 H172 Cl8 N8 P4 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.0393","0.0334","","","0.0711","0.0731","","","","","","1.092","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515803","12.0005","0.0005","12.4893","0.0005","13.5857","0.0006","90","","90","","90","","2036.2","0.15","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 F6 N2 O2 W -","- C16 H14 Cl2 F6 N2 O2 W -","- C64 H56 Cl8 F24 N8 O8 W4 -","4","1","","Messinis, Antonis M.; Batsanov, Andrei S.; Wright, William R. H.; Howard, Judith A. K.; Hanton, Martin J.; Dyer, Philip W.","Bis(Imido) Tungsten Complexes: Efficient Precatalysts for the Homogeneous Dimerization of Ethylene","ACS Catalysis","2018","8","12","11249","","10.1021/acscatal.8b02202","","x-ray","0.71073","MoKα","","0.058","0.0486","","","0.129","0.1377","","","","","","1.062","","","","has coordinates","225918","2020-10-21","18:00:00",""
"4515818","11.993","0.003","17.981","0.004","22.586","0.005","90","","90","","90","","4871","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21.5 F6 N3.5 P Pd -","- C23 H21.5 F6 N3.5 P Pd -","- C184 H172 F48 N28 P8 Pd8 -","8","2","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0973","0.0599","","","0.1402","0.1691","","","","","","1.051","","","","has coordinates","225923","2020-10-21","18:00:00",""
"4515819","11.4924","0.0008","18.4018","0.0013","20.7858","0.0015","90","","90","","90","","4395.8","0.5","133","2","133","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 F3 Fe N2 O6 P Pd S -","- C47 H44 F3 Fe N2 O6 P Pd S -","- C188 H176 F12 Fe4 N8 O24 P4 Pd4 S4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0381","0.0328","","","0.0748","0.0776","","","","","","1.013","","","","has coordinates","287926","2023-12-01","07:54:24",""
"4515820","11.5846","0.0011","16.3753","0.0015","25.133","0.002","90","","90","","90","","4767.8","0.7","293","2","293","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C48 H45 Cl3 F3 Fe N2 O6 P Pd S -","- C48 H45 Cl3 F3 Fe N2 O6 P Pd S -","- C192 H180 Cl12 F12 Fe4 N8 O24 P4 Pd4 S4 -","4","1","","Huang, Jian-Qiang; Liu, Wei; Zheng, Bao-Hui; Liu, Xiu Yan; Yang, Zhen; Ding, Chang-Hua; Li, Hao; Peng, Qian; Hou, Xue-Long","Pd-Catalyzed Asymmetric Cyclopropanation Reaction of Acyclic Amides with Allyl and Polyenyl Carbonates. Experimental and Computational Studies for the Origin of Cyclopropane Formation","ACS Catalysis","2018","8","3","1964","","10.1021/acscatal.7b03744","","","0.71073","MoKα","","0.0807","0.0627","","","0.1439","0.1529","","","","","","0.978","","","","has coordinates","225925","2020-10-21","18:00:00",""
"4515831","8.6461","0.0003","9.1906","0.0003","20.9044","0.0008","90","","90","","90","","1661.12","0.1","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Lei, Jie; Xu, Zhi-Gang; Tang, Dian-Yong; Li, Yong; Xu, Jia; Li, Hong-Yu; Zhu, Jin; Chen, Zhong-Zhu","Acid-Promoted One-Pot Synthesis of Substituted Furan and 6-Methylpyrazin-2(1 H)-one Derivatives via Allene Intermediate Formed in Situ.","ACS combinatorial science","2018","20","5","292","297","10.1021/acscombsci.8b00005","","x-ray","0.71073","MoKα","","0.0587","0.0446","","","0.0882","0.0961","","","","","","1.043","","","","has coordinates","225931","2020-10-21","18:00:00",""
"4515856","5.2088","0.0003","9.272","0.0006","28.3737","0.0017","90","","90","","90","","1370.34","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","","Gupta, Abhishek Kumar; Kumar, Ashwani; Singh, Ranjit; Devi, Manisha; Dhir, Abhimanew; Pradeep, Chullikkattil P.","Facile Synthesis of an Organic Solid State Near-Infrared-Emitter with Large Stokes Shift via Excited-State Intramolecular Proton Transfer.","ACS omega","2018","3","10","14341","14348","10.1021/acsomega.8b02116","","x-ray","1.54184","CuKα","","0.0681","0.0644","","","0.1756","0.1816","","","","","","1.036","","","","has coordinates","225956","2020-10-21","18:00:00",""
"4515910","9.0317","0.0005","10.0478","0.0005","15.5635","0.0008","90","","90","","90","","1412.37","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2OK-1","2OK-1","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Li, Yuelan; Zhu, Rongxiu; Zhang, Jiaozhen; Xie, Fei; Wang, Xiaoning; Xu, Ke; Qiao, Yanan; Zhao, Zuntian; Lou, Hongxiang","Ophiosphaerellins A-I, Polyketide-Derived Compounds from the Endolichenic Fungus <i>Ophiosphaerella korrae</i>.","ACS omega","2018","3","1","176","180","10.1021/acsomega.7b01668","","","1.54178","CuKα","","0.1508","0.1282","","","0.2979","0.3227","","","","","","1.11","","","","has coordinates","225990","2020-10-21","18:00:00",""
"4515915","7.1234","0.0017","7.7506","0.0019","21.457","0.01","90","","90","","90","","1184.7","0.7","291","2","291","2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","Methyl (1a<i>S</i>,4a<i>R</i>,5<i>R</i>,7a<i>R</i>)-5-methyl-2-oxo- octahydrocyclopropa[<i>d</i>]indene- 4a-carboxylate","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Yadav, Jhillu Singh; Singh, Shweta; Das, Saibal","Stereoselective Total Syntheses of Acutifolone A, Bisacutifolone A and B, Pinguisenol, and Isonaviculol.","ACS omega","2018","3","1","636","647","10.1021/acsomega.7b01513","","","0.7107","MoKα","","0.081","0.0576","","","0.1268","0.1489","","","","","","1.098","","","","has coordinates","225995","2020-10-21","18:00:00",""
"4515958","7.661","0.0005","7.8138","0.0004","23.4172","0.0019","90","","90","","90","","1401.79","0.16","173","0.14","173","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N4 O2 S -","- C12 H16 N4 O2 S -","- C48 H64 N16 O8 S4 -","4","1","","Yan, Xiao-Sheng; Luo, Huan; Zou, Kun-Shan; Cao, Jin-Lian; Li, Zhao; Jiang, Yun-Bao","Short Azapeptides of Folded Structures in Aqueous Solutions.","ACS omega","2018","3","5","4786","4790","10.1021/acsomega.8b00041","","","1.54178","CuKα","","0.081","0.0769","","","0.2093","0.2168","","","","","","1.113","","","","has coordinates","226022","2020-10-21","18:00:00",""
"4515966","9.4402","0.0005","15.011","0.0008","15.5913","0.0008","90","","90","","90","","2209.4","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","R1","","","- C20 H28 Cl N O P Sn -","- C20 H28 Cl N O P Sn -","- C80 H112 Cl4 N4 O4 P4 Sn4 -","4","1","","Soengas, Raquel; Belmonte Sánchez, Eva; Iglesias, María José; López Ortiz, Fernando","Synthesis of P-Stereogenic Benzoazaphosphole 1-Oxides via Alkynylation of P-Stereogenic ortho-Aurated and ortho-Iodo Phosphinic Amides.","ACS omega","2018","3","5","5116","5124","10.1021/acsomega.8b00491","","","1.54178","CuKα","","0.0473","0.0435","","","0.1106","0.1161","","","","","","1.066","","","","has coordinates","226030","2020-10-21","18:00:00",""
"4515969","8.1549","0.0007","14.3911","0.0012","16.5026","0.0012","90","","90","","90","","1936.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O3 -","- C22 H28 N2 O3 -","- C88 H112 N8 O12 -","4","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Diastereoselective Synthesis of (±)-<i>epi</i>-Subincanadine C.","ACS omega","2018","3","5","5308","5316","10.1021/acsomega.8b00587","","","0.71073","MoKα","","0.0814","0.0451","","","0.0867","0.1005","","","","","","1.057","","","","has coordinates","226033","2020-10-21","18:00:00",""
"4516006","6.2327","0.0003","10.6629","0.0006","27.47","0.0013","90","","90","","90","","1825.62","0.16","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C72 H104 N8 O20 -","4","1","","Nandi, Sujay Kumar; Maji, Krishnendu; Haldar, Debasish","Self-Healing Hydrogel from a Dipeptide and HCl Sensing.","ACS omega","2018","3","4","3744","3751","10.1021/acsomega.8b00358","","x-ray","0.71073","MoKα","","0.0519","0.0457","","","0.1173","0.1231","","","","","","1.045","","","","has coordinates","226047","2020-10-21","18:00:00",""
"4516027","8.5727","0.0003","9.0053","0.0004","26.1687","0.001","90","","90","","90","","2020.22","0.14","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl N O4 -","- C22 H30 Cl N O4 -","- C88 H120 Cl4 N4 O16 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0664","0.0646","","0.1817","0.1801","0.1817","","","","","","1.0212","","","","has coordinates","226063","2020-10-21","18:00:00",""
"4516028","7.8673","0.0002","9.5188","0.0002","26.3409","0.0005","90","","90","","90","","1972.6","0.08","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C21.488 H33.976 N O3 -","- C21.489 H33.976 N O3 -","- C85.956 H135.904 N4 O12 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0324","0.0313","","0.0785","0.0776","0.0785","","","","","","1.0016","","","","has coordinates","226064","2020-10-21","18:00:00",""
"4516030","7.4614","0.0001","9.6133","0.0001","28.5458","0.0002","90","","90","","90","","2047.55","0.04","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 Cl N O2 -","- C21 H32 Cl N O2 -","- C84 H128 Cl4 N4 O8 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0241","0.0236","","0.0613","0.0609","0.0613","","","","","","1.0098","","","","has coordinates","226066","2020-10-21","18:00:00",""
"4516031","9.0105","0.0001","13.7999","0.0001","33.4435","0.0002","90","","90","","90","","4158.5","0.06","150","","150","","","","","","","","local","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl N O4 -","- C22 H32 Cl N O4 -","- C176 H256 Cl8 N8 O32 -","8","2","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0342","0.0329","","0.0825","0.0818","0.0825","","","","","","1.0279","","","","has coordinates","226067","2020-10-21","18:00:00",""
"4516032","12.707","0.0006","18.741","0.001","19.0369","0.0008","90","","90","","90","","4533.5","0.4","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H70 N2 O8 -","- C46 H70 N2 O8 -","- C184 H280 N8 O32 -","4","1","","Lan, Ping; Herlt, Anthony J.; Willis, Anthony C.; Taylor, Walter C.; Mander, Lewis N.","Structures of New Alkaloids from Rain Forest Trees <i>Galbulimima belgraveana</i> and <i>Galbulimima baccata</i> in Papua New Guinea, Indonesia, and Northern Australia.","ACS omega","2018","3","2","1912","1921","10.1021/acsomega.7b02065","","","1.54184","CuKα","","0.0913","0.067","","0.1712","0.1562","0.1712","","","","","","0.9869","","","","has coordinates","226068","2020-10-21","18:00:00",""
"4516040","14.284","0.002","15.268","0.003","17.484","0.003","90","","90","","90","","3813.1","1.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 Cl2 Fe N8 O14 -","- C34 H36 Cl2 Fe N8 O14 -","- C136 H144 Cl8 Fe4 N32 O56 -","4","1","","Kimura, Akifumi; Ishida, Takayuki","Spin-Crossover Temperature Predictable from DFT Calculation for Iron(II) Complexes with 4-Substituted Pybox and Related Heteroaromatic Ligands.","ACS omega","2018","3","6","6737","6747","10.1021/acsomega.8b01095","","","0.71073","MoKα","","0.0659","0.0495","","","0.1163","0.1241","","","","","","1.044","","","","has coordinates","226074","2020-10-21","18:00:00",""
"4516120","4.6994","0.0003","11.1712","0.0006","25.7495","0.0017","90","","90","","90","","1351.8","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl N O2 -","- C16 H14 Cl N O2 -","- C64 H56 Cl4 N4 O8 -","4","1","","Chen, Jianfeng; Tian, Jiaxin; Liu, Feng; Liu, Yong; Zhao, Guoqing; Yuan, Weicheng; Zhao, Baoguo","Intramolecular Umpolung Synthesis of Exocyclic β-Amino Alcohols through Decarboxylative Amination.","ACS omega","2018","3","11","14671","14679","10.1021/acsomega.8b02324","","","0.71073","MoKα","","0.0436","0.0381","","","0.0921","0.0965","","","","","","1.066","","","","has coordinates","226126","2020-10-21","18:00:00",""
"4516138","9.3162","0.0003","18.1124","0.0007","23.9326","0.0009","90","","90","","90","","4038.4","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Ag2 F6 N6 O6 P2 S2 -","- C36 H32 Ag2 F6 N6 O6 P2 S2 -","- C144 H128 Ag8 F24 N24 O24 P8 S8 -","4","1","","Kumar, Saurabh; Mondal, Dipanjan; Balakrishna, Maravanji S.","Diverse Architectures and Luminescence Properties of Group 11 Complexes Containing Pyrimidine-Based Phosphine, <i>N</i>-((Diphenylphosphine)methyl)pyrimidin-2-amine.","ACS omega","2018","3","12","16601","16614","10.1021/acsomega.8b02484","","x-ray","0.71073","MoKα","","0.0387","0.0342","","","0.0725","0.0743","","","","","","1.061","","","","has coordinates,has disorder","226136","2020-10-21","18:00:00",""
"4516149","7.212","0.004","8.116","0.004","36.696","0.017","90","","90","","90","","2147.9","1.9","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 F N O S -","- C26 H28 F N O S -","- C104 H112 F4 N4 O4 S4 -","4","1","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","0.71073","MoKα","","0.0826","0.059","","","0.1269","0.1372","","","","","","1.051","","","","has coordinates","226144","2020-10-21","18:00:00",""
"4516150","9.5976","0.0012","37.906","0.004","55.277","0.006","90","","90","","90","","20110","4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Br N O S -","- C26 H28 Br N O S -","- C936 H1008 Br36 N36 O36 S36 -","36","9","","Okolo, ChrisTina; Ali, Mohamad Akbar; Newman, Matthew; Chambers, Steven A.; Whitt, Jedidiah; Alsharif, Zakeyah A.; Day, Victor W.; Alam, Mohammad A.","Hexafluoroisopropanol-Mediated Domino Reaction for the Synthesis of Thiazolo-androstenones: Potent Anticancer Agents.","ACS omega","2018","3","12","17991","18001","10.1021/acsomega.8b02840","","","1.54178","CuKα","","0.1524","0.1354","","","0.3398","0.353","","","","","","1.044","","","","has coordinates","226145","2020-10-21","18:00:00",""
"4516171","6.2228","0.0006","16.253","0.001","17.111","0.001","90","","90","","90","","1730.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H13 N O3 -","- C23 H13 N O3 -","- C92 H52 N4 O12 -","4","1","","Grolleau, Jérémie; Petrov, Ravil; Allain, Magali; Skene, William G.; Frère, Pierre","Solid-State Emission Enhancement via Molecular Engineering of Benzofuran Derivatives.","ACS omega","2018","3","12","18542","18552","10.1021/acsomega.8b02384","","x-ray","0.71073","MoKα","","0.0897","0.0398","","","0.0714","0.086","","","","","","1.09","","","","has coordinates","226162","2020-10-21","18:00:00",""
"4516216","9.6729","0.001","10.7575","0.0011","16.1377","0.0016","90","","90","","90","","1679.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Fe N2 O -","- C18 H24 Fe N2 O -","- C72 H96 Fe4 N8 O4 -","4","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.71073","MoKα","","0.0276","0.0239","","","0.0549","0.0562","","","","","","1.046","","","","has coordinates","227711","2020-10-21","18:00:00",""
"4516218","9.4493","0.0005","19.4338","0.0012","25.5923","0.0015","90","","90","","90","","4699.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H60 N4 O6 Pd2 -","- C46 H60 N4 O6 Pd2 -","- C184 H240 N16 O24 Pd8 -","4","1","","Gair, Joseph J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, Djamaladdin G.; Lewis, Jared C.","Di-Palladium Complexes are Active Catalysts for Mono-N-Protected Amino Acid-Accelerated Enantioselective C‒H Functionalization","ACS Catalysis","2019","","","11386","","10.1021/acscatal.9b03887","","","0.41328","synchrotron","","0.0318","0.0283","","","0.0653","0.0664","","","","","","1.119","","","","has coordinates,has disorder","227711","2020-10-21","18:00:00",""
"4516225","6.3211","0.0004","12.4338","0.0008","18.4599","0.001","90","","90","","90","","1450.86","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H11 N18 Na O3 -","- C4 H11 N18 Na O3 -","- C16 H44 N72 Na4 O12 -","4","1","","Wu, Bo; Lai, Yuan; Qi, Xiufang; Du, Huiying; Pei, Chonghua","Facile Synthesis and Accelerated Combustion Effect of Micro-/Nanostructured Amorphous and Crystalline Metal Coordination Compounds Based on N,N-Bis[1H-tetrazol-5-yl]amine","ACS Applied Energy Materials","2019","","","","","10.1021/acsaem.9b01743","","","0.71073","MoKα","","0.0822","0.0464","","","0.0833","0.0949","","","","","","1.048","","","","has coordinates","227802","2020-10-21","18:00:00",""
"4516228","8.8085","0.001","10.3259","0.0012","22.243","0.003","90","","90","","90","","2023.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O5 S2 -","- C18 H20 N2 O5 S2 -","- C72 H80 N8 O20 S8 -","4","1","","Zou, Jiaoxia; Chen, Jinhong; Shi, Tao; Hou, Yongsheng; Cao, Fei; Wang, Yongqiang; Wang, Xiaodong; Jia, Zhong; Zhao, Quanyi; Wang, Zhen","Phthalimide-Carried Disulfur Transfer To Synthesize Unsymmetrical Disulfanes via Copper Catalysis","ACS Catalysis","2019","","","11426","","10.1021/acscatal.9b04326","","","0.71073","MoKα","","0.0541","0.0445","","","0.1219","0.1299","","","","","","1.001","","","","has coordinates","227807","2020-10-21","18:00:00",""
"4516231","6.1055","0.0002","7.4185","0.0003","22.4266","0.0008","90","","90","","90","","1015.78","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C48 H56 O8 -","4","1","","Griswold, Jessica A.; Johnson, Jeffrey S.","Stereoconvergent Conjugate Addition of Arylboronic Acids to α-Angelica Lactone Derivatives: Synthesis of Stereochemically Complex γ-Butyrolactones","ACS Catalysis","2019","","","11614","","10.1021/acscatal.9b04405","","","1.54178","CuKα","","0.0338","0.0334","","0.0865","0.0862","0.0865","","","","","","1.0352","","","","has coordinates","231051","2020-10-21","18:00:00",""
"4516232","6.1306","0.0003","7.3825","0.0003","25.8514","0.0012","90","","90","","90","","1170.01","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Griswold, Jessica A.; Johnson, Jeffrey S.","Stereoconvergent Conjugate Addition of Arylboronic Acids to α-Angelica Lactone Derivatives: Synthesis of Stereochemically Complex γ-Butyrolactones","ACS Catalysis","2019","","","11614","","10.1021/acscatal.9b04405","","","1.54178","CuKα","","0.0277","0.0267","","0.0703","0.0696","0.0703","","","","","","1.0014","","","","has coordinates","231052","2020-10-21","18:00:00",""
"4516233","6.1359","0.0001","7.2261","0.0001","23.2488","0.0004","90","","90","","90","","1030.82","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br O2 -","- C11 H11 Br O2 -","- C44 H44 Br4 O8 -","4","1","","Griswold, Jessica A.; Johnson, Jeffrey S.","Stereoconvergent Conjugate Addition of Arylboronic Acids to α-Angelica Lactone Derivatives: Synthesis of Stereochemically Complex γ-Butyrolactones","ACS Catalysis","2019","","","11614","","10.1021/acscatal.9b04405","","","1.54178","CuKα","","0.021","0.021","","0.0569","0.0569","0.0569","","","","","","1.2133","","","","has coordinates","231053","2020-10-21","18:00:00",""
"4516235","9.8131","0.0013","16.46","0.002","19.469","0.003","90","","90","","90","","3144.7","0.7","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 O7 -","- C38 H42 O7 -","- C152 H168 O28 -","4","1","","Uyanik, Muhammet; Kato, Takehiro; Sahara, Naoto; Katade, Outa; Ishihara, Kazuaki","High-Performance Ammonium Hypoiodite/Oxone Catalysis for Enantioselective Oxidative Dearomatization of Arenols","ACS Catalysis","2019","","","11619","","10.1021/acscatal.9b04322","","","0.71075","MoKα","","0.0503","0.0414","","","0.1026","0.107","","","","","","1.033","","","","has coordinates","231088","2020-10-21","18:00:00",""
"4516240","10.1824","0.0019","12.255","0.002","25.931","0.005","90","","90","","90","","3235.8","1","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","6b in manuscript","","","- C36 H36 N2 O5 S2 -","- C36 H36 N2 O5 S2 -","- C144 H144 N8 O20 S8 -","4","1","","Jin, Hongming; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.","The Carbocation-Catalyzed Intermolecular Formal [2 + 2 + 1] Cycloaddition of Ynamides with Quinoxaline N-Oxides","ACS Catalysis","2019","","","11663","","10.1021/acscatal.9b03911","","","0.71073","MoKα","","0.0873","0.0541","","","0.1061","0.1193","","","","","","1.067","","","","has coordinates","231130","2020-10-21","18:00:00",""
"4516323","11.2329","0.0002","11.9856","0.0002","12.5798","0.0003","90","","90","","90","","1693.66","0.06","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl N O3 -","- C15 H26 Cl N O3 -","- C60 H104 Cl4 N4 O12 -","4","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.037","0.032","","","0.0835","0.0865","","","","","","1.05","","","","has coordinates","231249","2020-10-21","18:00:00",""
"4516324","8.4357","0.0001","10.9612","0.0002","18.4019","0.0003","90","","90","","90","","1701.54","0.05","228","2","228","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Cl N O4 -","- C15 H26 Cl N O4 -","- C60 H104 Cl4 N4 O16 -","4","1","","Duggirala, Naga Kiran; Wood, Geoffrey P. F.; Fischer, Addison; Wojtas, Łukasz; Perry, Miranda L.; Zaworotko, Michael J.","Hydrogen Bond Hierarchy: Persistent Phenol···Chloride Hydrogen Bonds in the Presence of Carboxylic Acid Moieties","Crystal Growth & Design","2015","15","9","4341","","10.1021/acs.cgd.5b00628","","","1.54178","CuKα","","0.0296","0.028","","","0.0739","0.0751","","","","","","1.039","","","","has coordinates","231250","2020-10-21","18:00:00",""
"4516403","11.924","0.002","14.177","0.003","16.742","0.003","90","","90","","90","","2830.2","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H26 F N O3 -","- C40 H26 F N O3 -","- C160 H104 F4 N4 O12 -","4","1","","Li, Ping; Hwang, Jungwun; Maier, Josef M.; Zhao, Chen; Kaborda, Darya V.; Smith, Mark D.; Pellechia, Perry J.; Shimizu, Ken D.","Correlation between Solid-State and Solution Conformational Ratios in a Series of N-(o-Tolyl)Succinimide Molecular Rotors","Crystal Growth & Design","2015","15","8","3561","","10.1021/acs.cgd.5b00906","","","0.71073","MoKα","","0.0386","0.033","","","0.0747","0.0766","","","","","","1.028","","","","has coordinates","231291","2020-10-21","18:00:00",""
"4516437","13.5177","0.0012","13.8827","0.0013","23.867","0.002","90","","90","","90","","4478.9","0.7","296","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Co Cu5 I7 N6 -","- C30 H24 Co Cu5 I7 N6 -","- C120 H96 Co4 Cu20 I28 N24 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0567","0.0505","","","0.1464","0.1503","","","","","","1.138","","","","has coordinates","231316","2020-10-21","18:00:00",""
"4516438","13.4901","0.0012","13.8822","0.0012","23.859","0.002","90","","90","","90","","4468.1","0.7","296","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cu5 I7 N6 Ni -","- C30 H24 Cu5 I7 N6 Ni -","- C120 H96 Cu20 I28 N24 Ni4 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0467","0.0413","","","0.115","0.1184","","","","","","1.116","","","","has coordinates","231317","2020-10-21","18:00:00",""
"4516442","13.4104","0.0009","13.792","0.001","23.7344","0.0016","90","","90","","90","","4389.8","0.5","296","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cu5 Fe I7 N6 -","- C30 H24 Cu5 Fe I7 N6 -","- C120 H96 Cu20 Fe4 I28 N24 -","4","1","","Lei, Xiao-Wu; Yue, Cheng-Yang; Zhao, Jian-Qiang; Han, Yong-Fang; Yang, Jiang-Tao; Meng, Rong-Rong; Gao, Chuan-Sheng; Ding, Hao; Wang, Chun-Yan; Chen, Wan-Dong","Low-Dimensional Hybrid Cuprous Halides Directed by Transition Metal Complex: Syntheses, Crystal Structures, and Photocatalytic Properties","Crystal Growth & Design","2015","15","11","5416","","10.1021/acs.cgd.5b01037","","","0.71073","MoKα","","0.0534","0.0456","","","0.1319","0.1376","","","","","","1.037","","","","has coordinates","231321","2020-10-21","18:00:00",""
"4516588","5.747","0.003","15.85","0.007","22.201","0.01","90","","90","","90","","2022.3","1.7","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nilwl06","","","- C24.7 H20 N2 O4.6 -","- C24.704 H20 N2 O4.592 -","- C98.816 H80 N8 O18.368 -","4","1","","Liyanage, Wathsala; Nilsson, Bradley L.","Substituent Effects on the Self-Assembly/Coassembly and Hydrogelation of Phenylalanine Derivatives.","Langmuir : the ACS journal of surfaces and colloids","2016","32","3","787","799","10.1021/acs.langmuir.5b03227","","","0.71073","MoKα","","0.1257","0.0601","","","0.1163","0.1428","","","","","","1.026","","","","has coordinates,has disorder","236674","2020-10-21","18:00:00",""
"4516589","5.6748","0.0007","15.6612","0.0019","22.411","0.003","90","","90","","90","","1991.8","0.4","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nilwl09","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","","Liyanage, Wathsala; Nilsson, Bradley L.","Substituent Effects on the Self-Assembly/Coassembly and Hydrogelation of Phenylalanine Derivatives.","Langmuir : the ACS journal of surfaces and colloids","2016","32","3","787","799","10.1021/acs.langmuir.5b03227","","","0.71073","MoKα","","0.078","0.0544","","","0.115","0.126","","","","","","1.033","","","","has coordinates","236676","2020-10-21","18:00:00",""
"4516625","13.3394","0.001","13.8004","0.0012","21.779","0.0018","90","","90","","90","","4009.3","0.6","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 Cl2 F6 Ir N4 P -","- C41 H42 Cl2 F6 Ir N4 P -","- C164 H168 Cl8 F24 Ir4 N16 P4 -","4","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0287","0.0267","","","0.0669","0.0801","","","","","","1.109","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516626","13.3121","0.0015","13.7139","0.0018","21.786","0.003","90","","90","","90","","3977.3","0.9","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 Cl2 F6 Ir N4 P -","- C41 H42 Cl2 F6 Ir N4 P -","- C164 H168 Cl8 F24 Ir4 N16 P4 -","4","1","","Martir, Diego Rota; Momblona, Cristina; Pertegás, Antonio; Cordes, David B.; Slawin, Alexandra M. Z.; Bolink, Henk J.; Zysman-Colman, Eli","Chiral Iridium(III) Complexes in Light-Emitting Electrochemical Cells: Exploring the Impact of Stereochemistry on the Photophysical Properties and Device Performances.","ACS applied materials & interfaces","2016","8","49","33907","33915","10.1021/acsami.6b14050","","","0.71075","MoKα","","0.0315","0.0287","","","0.0672","0.0679","","","","","","1.006","","","","has coordinates","239413","2020-10-21","18:00:00",""
"4516643","5.6365","0.0019","7.316","0.002","54.623","0.018","90","","90","","90","","2252.5","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N2 O6 -","- C22 H36 N2 O6 -","- C88 H144 N8 O24 -","4","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Surface-Tuned and Metal-Ion-Responsive Supramolecular Gels Based on Nucleolipids.","ACS applied materials & interfaces","2017","9","27","22864","22874","10.1021/acsami.7b06037","","","0.71073","MoKα","","0.0414","0.0351","","","0.0938","0.1018","","","","","","0.702","","","","has coordinates","239420","2020-10-21","18:00:00",""
"4516644","5.5928","0.0008","7.2712","0.0011","63.511","0.009","90","","90","","90","","2582.8","0.7","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 N2 O6 -","- C26 H44 N2 O6 -","- C104 H176 N8 O24 -","4","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Surface-Tuned and Metal-Ion-Responsive Supramolecular Gels Based on Nucleolipids.","ACS applied materials & interfaces","2017","9","27","22864","22874","10.1021/acsami.7b06037","","","0.71073","MoKα","","0.0826","0.0519","","","0.1245","0.1503","","","","","","0.923","","","","has coordinates","239421","2020-10-21","18:00:00",""
"4516645","5.6059","0.0002","7.3036","0.0003","59.161","0.002","90","","90","","90","","2422.24","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O6 -","- C24 H40 N2 O6 -","- C96 H160 N8 O24 -","4","1","","Nuthanakanti, Ashok; Srivatsan, Seergazhi G.","Surface-Tuned and Metal-Ion-Responsive Supramolecular Gels Based on Nucleolipids.","ACS applied materials & interfaces","2017","9","27","22864","22874","10.1021/acsami.7b06037","","","1.54178","CuKα","","0.1028","0.0872","","","0.2235","0.2306","","","","","","1.481","","","","has coordinates","239422","2020-10-21","18:00:00",""
"4516680","10.8375","0.0013","14.8073","0.0018","27.377","0.003","90","","90","","90","","4393.3","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Fe N2 O4 Ti -","- C46 H64 Fe N2 O4 Ti -","- C184 H256 Fe4 N8 O16 Ti4 -","4","1","","Brown, Lauren A.; Rhinehart, Jennifer L.; Long, Brian K.","Effects of Ferrocenyl Proximity and Monomer Presence during Oxidation for the Redox-Switchable Polymerization of l-Lactide","ACS Catalysis","2015","5","10","6057","","10.1021/acscatal.5b01434","","","0.71073","MoKα","","0.0524","0.045","","","0.1217","0.1311","","","","","","0.941","","","","has coordinates","239449","2020-10-21","18:00:00",""
"4516686","10.3652","0.0008","10.371","0.0008","28.86","0.002","90","","90","","90","","3102.4","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl2 N2 O4 S -","- C34 H28 Cl2 N2 O4 S -","- C136 H112 Cl8 N8 O16 S4 -","4","1","","Gao, Yuning; Xu, Qin; Shi, Min","Enantioselective Synthesis of Polycyclic Indole Derivatives Based on aza-Morita‒Baylis‒Hillman Reaction","ACS Catalysis","2015","5","11","6608","","10.1021/acscatal.5b01579","","","0.71073","MoKα","","0.079","0.0539","","","0.1246","0.1391","","","","","","1.015","","","","has coordinates","239455","2020-10-21","18:00:00",""
"4516687","8.8035","0.0002","14.912","0.0003","17.9438","0.0005","90","","90","","90","","2355.62","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C100 H92 N4 O20 S4 -","4","1","","Liu, Ren-Rong; Wang, Dan-Jie; Wu, Liang; Xiang, Bin; Zhang, Guo-Qi; Gao, Jian-Rong; Jia, Yi-Xia","Nickel-Catalyzed Enantioselective Addition of Styrenes to Cyclic N-Sulfonyl α-Ketiminoesters","ACS Catalysis","2015","5","11","6524","","10.1021/acscatal.5b01793","","","1.54178","CuKα","","0.0372","0.0326","","","0.0799","0.087","","","","","","1.071","","","","has coordinates","239456","2020-10-21","18:00:00",""
"4516694","5.1839","0.0002","17.316","0.0005","23.0197","0.0007","90","","90","","90","","2066.35","0.12","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O2 -","- C24 H25 N3 O2 -","- C96 H100 N12 O8 -","4","1","","Qureshi, Zafar; Kim, Jung Yun; Bruun, Theodora; Lam, Heather; Lautens, Mark","Cu/Pd-Catalyzed Synthesis of Fully Decorated Polycyclic Triazoles: Introducing C‒H Functionalization to Multicomponent Multicatalytic Reactions ((MC)2R)","ACS Catalysis","2016","6","8","4946","","10.1021/acscatal.6b00858","","","1.54178","CuKα","","0.0311","0.0296","","","0.0752","0.0762","","","","","","1.056","","","","has coordinates,has disorder","239463","2020-10-21","18:00:00",""
"4516699","9.5413","0.0005","12.5331","0.0012","16.6646","0.0014","90","","90","","90","","1992.8","0.3","295.14","0.1","295.14","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl N O2 -","- C22 H21 Cl N2 O2 -","- C88 H84 Cl4 N8 O8 -","4","1","","Zhang, Ming; Sun, Wangsheng; Zhu, Gongming; Bao, Guangjun; Zhang, Bangzhi; Hong, Liang; Li, Min; Wang, Rui","Enantioselective Dearomative Arylation of Isoquinolines","ACS Catalysis","2016","6","8","5290","","10.1021/acscatal.6b01693","","x-ray","0.71073","MoKα","","0.1522","0.0734","","","0.1357","0.1892","","","","","","1.035","","","","has coordinates","239467","2020-10-21","18:00:00",""
"4516718","5.6343","0.0001","17.0439","0.0004","18.3976","0.0004","90","","90","","90","","1766.73","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O5 S -","- C19 H22 O5 S -","- C76 H88 O20 S4 -","4","1","","Gutiérrez-Bonet, Álvaro; Tellis, John C.; Matsui, Jennifer K.; Vara, Brandon A.; Molander, Gary A.","1,4-Dihydropyridines as Alkyl Radical Precursors: Introducing the Aldehyde Feedstock to Nickel/Photoredox Dual Catalysis.","ACS catalysis","2016","6","12","8004","8008","10.1021/acscatal.6b02786","","","0.71073","MoKα","","0.0244","0.0236","","","0.0627","0.0636","","","","","","1.032","","","","has coordinates","288221","2023-12-11","22:20:44",""
"4516763","17.8318","0.0007","17.9175","0.0007","20.2085","0.0008","90","","90","","90","","6456.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 N4 O S -","- C34 H44 N4 O S -","- C272 H352 N32 O8 S8 -","8","2","","Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N.","Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement.","ACS central science","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","0.71073","MoKα","","0.063","0.0403","","","0.0751","0.0817","","","","","","1.014","","","","has coordinates","239522","2020-10-21","18:00:00",""
"4516765","5.6658","0.0001","13.9473","0.0003","16.7395","0.0004","90","","90","","90","","1322.8","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Kennedy, C. Rose; Guidera, Jennifer A.; Jacobsen, Eric N.","Synergistic Ion-Binding Catalysis Demonstrated via an Enantioselective, Catalytic [2,3]-Wittig Rearrangement.","ACS central science","2016","2","6","416","423","10.1021/acscentsci.6b00125","","","1.54178","CuKα","","0.0287","0.0279","","","0.0701","0.0707","","","","","","1.04","","","","has coordinates,has disorder","239522","2020-10-21","18:00:00",""
"4516768","6.1715","0.0003","10.419","0.0006","22.9681","0.0013","90","","90","","90","","1476.87","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","azide_3h","azide_3h","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C60 H92 N12 O12 -","4","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0301","0.0299","","","0.0825","0.0826","","","","","","1.104","","","","has coordinates","239524","2020-10-21","18:00:00",""
"4516774","5.8607","0.0003","13.4039","0.0007","18.8487","0.001","90","","90","","90","","1480.68","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","azide_3i","azide_3i","","- C15 H25 N3 O -","- C15 H25 N3 O -","- C60 H100 N12 O4 -","4","1","","Karimov, Rashad R.; Sharma, Ankit; Hartwig, John F.","Late Stage Azidation of Complex Molecules.","ACS central science","2016","2","10","715","724","10.1021/acscentsci.6b00214","","","1.54178","CuKα","","0.0309","0.03","","","0.0779","0.0785","","","","","","1.06","","","","has coordinates","239530","2020-10-21","18:00:00",""
"4516784","10.9374","0.0003","11.9604","0.0003","27.4814","0.0007","90","","90","","90","","3595","0.16","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CX-10-076","CX-10-076","","- C33 H57 N O12 -","- C33 H57 N O12 -","- C132 H228 N4 O48 -","4","1","","Xu, Chen; Han, Arthur; Virgil, Scott C.; Reisman, Sarah E.","Chemical Synthesis of (+)-Ryanodine and (+)-20-Deoxyspiganthine.","ACS central science","2017","3","4","278","282","10.1021/acscentsci.6b00361","","","1.54178","CuKα","","0.0411","0.0389","","","0.1064","0.1083","","","","","","1.045","","","","has coordinates","239536","2020-10-21","18:00:00",""
"4516825","11.686","0.007","12.036","0.007","22.607","0.013","90","","90","","90","","3180","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Macrocycle 4","","","- C35 H34 N8 O3 -","- C35 H34 N8 O3 -","- C140 H136 N32 O12 -","4","1","","Chen, Huaiyu; Huang, Chao; Deng, Yaxin; Sun, Qi; Zhang, Qi-Long; Zhu, Bi-Xue; Ni, Xin-Long","Solvent-Switched Schiff-Base Macrocycles: Self-Sorting and Self-Assembly-Dependent Unconventional Organic Particles.","ACS nano","2019","13","3","2840","2848","10.1021/acsnano.8b09478","","","0.71073","MoKα","","0.1231","0.0655","","","0.1715","0.204","","","","","","0.771","","","","has coordinates","239569","2020-10-21","18:00:00",""
"4516830","6.08329","0.00007","10.36929","0.00011","28.0962","0.0003","90","","90","","90","","1772.29","0.03","173","2","173.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Zhou, Zhi-Hua; Song, Qing-Wen; He, Liang-Nian","Silver(I)-Promoted Cascade Reaction of Propargylic Alcohols, Carbon Dioxide, and Vicinal Diols: Thermodynamically Favorable Route to Cyclic Carbonates.","ACS omega","2017","2","1","337","345","10.1021/acsomega.6b00407","","x-ray","1.54184","CuKα","","0.0309","0.0305","","","0.0791","0.0792","","","","","","1.08","","","","has coordinates","239574","2020-10-21","18:00:00",""
"4516831","5.654","0.003","13.433","0.012","22.786","0.013","90","","90","","90","","1731","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 N3 O -","- C23 H15 N3 O -","- C92 H60 N12 O4 -","4","1","","Reddy Kotla, Siva K.; Vandavasi, Jaya Kishore; Wang, Jeh-Jeng; Parang, Keykavous; Tiwari, Rakesh K.","Palladium-Catalyzed Intramolecular Cross-Dehydrogenative Coupling: Synthesis of Fused Imidazo[1,2-<i>a</i>]pyrimidines and Pyrazolo[1,5-<i>a</i>]pyrimidines.","ACS omega","2017","2","1","11","19","10.1021/acsomega.6b00417","","","0.71073","MoKα","","0.2127","0.0726","","","0.1086","0.1405","","","","","","0.987","","","","has coordinates","239575","2020-10-21","18:00:00",""
"4516855","5.5786","0.0008","7.5398","0.0011","23.223","0.004","90","","90","","90","","976.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","","Vellé, Alba; Cebollada, Andrea; Macías, Ramón; Iglesias, Manuel; Gil-Moles, María; Sanz Miguel, Pablo J.","From Imidazole toward Imidazolium Salts and N-Heterocyclic Carbene Ligands: Electronic and Geometrical Redistribution.","ACS omega","2017","2","4","1392","1399","10.1021/acsomega.7b00138","","","0.71073","MoKα","","0.0597","0.0451","","","0.1127","0.1209","","","","","","1.068","","","","has coordinates","239594","2020-10-21","18:00:00",""
"4516859","7.3415","0.0001","10.2832","0.0001","17.6002","0.0002","90","","90","","90","","1328.71","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Aranzamendi, Eider; Sotomayor, Nuria; Lete, Esther","Phenolic Activation in Chiral Brønsted Acid-Catalyzed Intramolecular α-Amidoalkylation Reactions for the Synthesis of Fused Isoquinolines.","ACS omega","2017","2","6","2706","2718","10.1021/acsomega.7b00170","","x-ray","1.54184","CuKα","","0.026","0.0254","","","0.065","0.0655","","","","","","1.055","","","","has coordinates","239598","2020-10-21","18:00:00",""
"4516868","11.2201","0.0003","17.0091","0.0005","34.4339","0.0012","90","","90","","90","","6571.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H94 Al2 N2 P2 Si2 -","- C66 H94 Al2 N2 P2 Si2 -","- C264 H376 Al8 N8 P8 Si8 -","4","1","","Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong","N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.","ACS omega","2017","2","6","2405","2414","10.1021/acsomega.7b00236","","","0.71073","MoKα","","0.0512","0.0448","","","0.0954","0.0985","","","","","","1.101","","","","has coordinates,has disorder","239603","2020-10-21","18:00:00",""
"4516880","5.0999","0.0001","15.0074","0.0006","23.3654","0.0009","90","","90","","90","","1788.3","0.11","293","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O3 -","- C17 H26 N2 O3 -","- C68 H104 N8 O12 -","4","1","","de Castro, Pedro P.; Rimulo, Isabela M. R.; de Almeida, Angelina M.; Diniz, Renata; Amarante, Giovanni W.","Brønsted Acid-Catalyzed Epimerization-Free Preparation of Dual-Protected Amino Acid Derivatives.","ACS omega","2017","2","6","2967","2976","10.1021/acsomega.7b00523","","x-ray","0.71073","MoKα","","0.0852","0.0594","","","0.1638","0.1802","","","","","","1.072","","","","has coordinates,has disorder","239608","2020-10-21","18:00:00",""
"4516888","11.183","0.0003","11.7285","0.0003","16.6352","0.0004","90","","90","","90","","2181.87","0.1","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 N2 O -","- C26 H22 Cl2 N2 O -","- C104 H88 Cl8 N8 O4 -","4","1","","Zhang, Zhiguo; Gao, Xiaolong; Wan, Yameng; Huang, Yuanyuan; Huang, Guoqing; Zhang, Guisheng","Ammonium Acetate-Promoted One-Pot Tandem Aldol Condensation/Aza-Addition Reactions: Synthesis of 2,3,6,7-Tetrahydro-1<i>H</i>-pyrrolo[3,2-<i>c</i>]pyridin-4(5<i>H</i>)-ones.","ACS omega","2017","2","10","6844","6851","10.1021/acsomega.7b00626","","x-ray","1.54184","CuKα","","0.0411","0.0376","","","0.0939","0.0973","","","","","","1.049","","","","has coordinates","239616","2020-10-21","18:00:00",""
"4516945","8.7789","0.0002","11.5391","0.0003","15.1241","0.0004","90","","90","","90","","1532.08","0.07","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N5 S -","- C15 H19 N5 S -","- C60 H76 N20 S4 -","4","1","","Kuleshova, Olena; Khilya, Olga; Volovenko, Yulian; Mallet-Ladeira, Sonia; Dyakonenko, Viktoriya; Gras, Emmanuel","Expedited Route to Fully Substituted Amino-Pyrazole Building Blocks and Their Further Transformations.","ACS omega","2017","2","12","8911","8927","10.1021/acsomega.7b01419","","x-ray","0.71073","MoKα","","0.0371","0.0322","","","0.082","0.0856","","","","","","1.057","","","","has coordinates","239644","2020-10-21","18:00:00",""
"4516951","9.044","0.003","13.524","0.003","20.436","0.005","90","","90","","90","","2499.5","1.2","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cl N O Ru -","- C29 H30 Cl N O Ru -","- C116 H120 Cl4 N4 O4 Ru4 -","4","1","","Brunner, Henri; Balázs, Gábor; Tsuno, Takashi; Iwabe, Haruka","PPh<sub>3</sub> Propeller Diastereomers: Bonding Motif Ph<sub>PPh<sub>3</sub></sub> Face-On π-Ar in Half-Sandwich Compounds [(π-Ar)LL'MPPh<sub>3</sub>].","ACS omega","2018","3","1","982","990","10.1021/acsomega.7b01460","","","0.71073","MoKα","","0.0335","0.0325","","","0.0875","0.0885","","","","","","1.065","","","","has coordinates","239648","2020-10-21","18:00:00",""
"4516956","5.3885","0.0005","14.607","0.0014","21","0.002","90","","90","","90","","1652.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Zuo, Youpeng; He, Xinwei; Ning, Yi; Wu, Yuhao; Shang, Yongjia","Rh(III)-Catalyzed C-H Activation/Intramolecular Cyclization: Access to <i>N</i>-Acyl-2,3-dihydro-1<i>H</i>-carbazol-4(9<i>H</i>)-ones from Cyclic 2-Diazo-1,3-diketones and <i>N</i>-Arylamides.","ACS omega","2017","2","11","8507","8516","10.1021/acsomega.7b01637","","","0.71073","MoKα","","0.0653","0.0587","","","0.1604","0.1683","","","","","","0.776","","","","has coordinates,has disorder","239651","2020-10-21","18:00:00",""
"4517026","5.6334","0.0005","17.0832","0.0016","20.6455","0.0019","90","","90","","90","","1986.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O S -","- C21 H24 N2 O S -","- C84 H96 N8 O4 S4 -","4","1","","Dahiya, Anjali; Ali, Wajid; Patel, Bhisma K.","Catalyst and Solvent Free Domino Ring Opening Cyclization: A Greener and Atom Economic Route to 2-Iminothiazolidines","ACS Sustainable Chemistry & Engineering","2018","6","3","4272","","10.1021/acssuschemeng.7b04723","","","0.71073","MoKα","","0.1041","0.0697","","","0.1275","0.1508","","","","","","0.821","","","","has coordinates","239702","2020-10-21","18:00:00",""
"4517153","7.743","0.005","5.358","0.005","25.066","0.005","90","","90","","90","","1039.9","1.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O4 -","- C11 H14 O4 -","- C44 H56 O16 -","4","1","","de la Cruz-Martínez, Felipe; Martínez de Sarasa Buchaca, Marc; Martínez, Javier; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio; Castro-Osma, José A.; Lara-Sánchez, Agustín","Synthesis of Bio-Derived Cyclic Carbonates from Renewable Resources","ACS Sustainable Chemistry & Engineering","2019","","","","","10.1021/acssuschemeng.9b06016","","","0.71069","MoKα","","0.0354","0.032","","","0.0801","0.0817","","","","","","1.079","","","","has coordinates","243793","2020-10-21","18:00:00",""
"4517163","10.9661","0.0008","17.5243","0.0012","19.8084","0.0014","90","","90","","90","","3806.6","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H46 Fe N2 -","- C50 H46 Fe N2 -","- C200 H184 Fe4 N8 -","4","1","","Yoshida, Kazuhiro; Liu, Qiang; Yasue, Risa; Wada, Shiro; Kimura, Ryosuke; Konishi, Takuma; Ogasawara, Masamichi","Versatile and Enantioselective Preparation of Planar-Chiral Metallocene-Fused 4-Dialkylaminopyridines and Their Application in Asymmetric Organocatalysis","ACS Catalysis","2019","","","292","","10.1021/acscatal.9b04438","","","0.71073","MoKα","","0.0582","0.0417","","","0.0838","0.0908","","","","","","1.051","","","","has coordinates","245060","2020-10-21","18:00:00",""
"4517188","9.75071","0.00005","15.60697","0.0001","21.237","0.00009","90","","90","","90","","3231.83","0.03","100.1","","100.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Cp*Ir(L-pro)Cl","","- C15 H24 Cl Ir N O2.5 -","- C15 H24 Cl Ir N O2.5 -","- C120 H192 Cl8 Ir8 N8 O20 -","8","2","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","x-ray","0.71073","MoKα","","0.0244","0.0201","","","0.0322","0.0333","","","","","","1.113","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4517189","12.8063","0.0003","14.5872","0.0003","16.3284","0.0003","90","","90","","90","","3050.28","0.11","100.1","","100.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12.5 H20 Cl2 Ir N O2 -","- C12.5 H20 Cl2 Ir N O2 -","- C100 H160 Cl16 Ir8 N8 O16 -","8","2","","Morris, David M.; Merola, Joseph S.","Octametallic Cluster of Cp*Ir(glycinato) Cations.","ACS omega","2019","4","26","22126","22132","10.1021/acsomega.9b03267","","","0.71073","MoKα","","0.0409","0.0337","","","0.0557","0.0602","","","","","","0.86","","","","has coordinates","251896","2020-10-21","18:00:00",""
"4517220","7.3272","0.0005","13.6323","0.001","23.8535","0.0018","90","","90","","90","","2382.6","0.3","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N4 O8 -","- C22 H30 N4 O8 -","- C88 H120 N16 O32 -","4","1","","Beltran-Torres, Melissa; Sugich-Miranda, Rocío; Santacruz-Ortega, Hisila; Machi, Lorena; Inoue, Motomichi; Velázquez-Contreras, Enrique F.; Soberanes, Yedith; Höpfl, Herbert; Pérez-González, Refugio; Navarro, Rosa Elena; Salazar-Medina, Alex J.; Sotelo Mundo, Rogerio R.","Comparative Studies of Structures and Peroxidase-like Activities of Copper(II) and Iron(III) Complexes with an EDTA-Based Phenylene-Macrocycle and Its Acyclic Analogue","ACS Omega","2019","4","27","22487","","10.1021/acsomega.9b03164","","","0.71073","MoKα","","0.0875","0.0778","","","0.1429","0.1468","","","","","","1.274","","","","has coordinates","246535","2020-10-21","18:00:00",""
"4517222","7.2519","0.0003","16.6879","0.0009","23.0206","0.0009","90","","90","","90","","2785.9","0.2","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 B Fe O P -","- C35 H32 B Fe O P -","- C140 H128 B4 Fe4 O4 P4 -","4","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","x-ray","0.71073","MoKα","","0.1312","0.0661","","","0.1078","0.1307","","","","","","0.987","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517223","8.0956","0.0002","10.9588","0.0003","28.2204","0.0007","90","","90","","90","","2503.66","0.11","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 B Fe O2 P -","- C30 H30 B Fe O2 P -","- C120 H120 B4 Fe4 O8 P4 -","4","1","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","","0.71073","MoKα","","0.0411","0.0334","","","0.0605","0.0632","","","","","","1.048","","","","has coordinates","246536","2020-10-21","18:00:00",""
"4517226","10.8773","0.0002","19.3811","0.0004","52.8787","0.0014","90","","90","","90","","11147.6","0.4","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61.01 H55.04 Cl5 Fe2 O4 P2 Ru -","- C61.01 H55.03 Cl5 Fe2 O4 P2 Ru -","- C488.08 H440.24 Cl40 Fe16 O32 P16 Ru8 -","8","2","","Popp, John; Hanf, Schirin; Hey-Hawkins, Evamarie","Facile Arene Ligand Exchange in p-Cymene Ruthenium(II) Complexes of Tertiary P-Chiral Ferrocenyl Phosphines","ACS Omega","2019","4","27","22540","","10.1021/acsomega.9b03251","","","0.71073","MoKα","","0.0928","0.0779","","","0.1793","0.1892","","","","","","1.082","","","","has coordinates,has disorder","246536","2020-10-21","18:00:00",""
"4517287","9.9772","0.0006","10.027","0.0007","21.2241","0.0013","90","","90","","90","","2123.3","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O -","- C25 H31 N O -","- C100 H124 N4 O4 -","4","1","","Duewel, Sabine; Schmermund, Luca; Faber, Tabea; Harms, Klaus; Srinivasan, Vasundara; Meggers, Eric; Hoebenreich, Sabrina","Directed Evolution of an FeII-Dependent Halogenase for Asymmetric C(sp3)‒H Chlorination","ACS Catalysis","2019","","","1272","","10.1021/acscatal.9b04691","","","1.54178","CuKα","","0.0777","0.0734","","","0.1773","0.1799","","","","","","1.084","","","","has coordinates,has disorder","246326","2020-10-21","18:00:00",""
"4517295","9.47792","0.00011","11.47657","0.00011","15.35077","0.00016","90","","90","","90","","1669.76","0.03","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Zhao, Bin; Shang, Rui; Wang, Guang-Zu; Wang, Shaohong; Chen, Hui; Fu, Yao","Palladium-Catalyzed Dual Ligand-Enabled Alkylation of Silyl Enol Ether and Enamide under Irradiation: Scope, Mechanism, and Theoretical Elucidation of Hybrid Alkyl Pd(I)-Radical Species","ACS Catalysis","2020","","","1334","","10.1021/acscatal.9b04699","","","1.54184","CuKα","","0.0542","0.053","","","0.1623","0.1647","","","","","","1.07","","","","has coordinates","246432","2020-10-21","18:00:00",""
"4517359","8.269","0.0002","9.9012","0.0002","13.5986","0.0002","90","","90","","90","","1113.36","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl N O2 -","- C12 H12 Cl N O2 -","- C48 H48 Cl4 N4 O8 -","4","1","","Ren, Xinkun; Chandgude, Ajay L.; Fasan, Rudi","Highly Stereoselective Synthesis of Fused Cyclopropane-γ-Lactams via Biocatalytic Iron-Catalyzed Intramolecular Cyclopropanation","ACS Catalysis","2020","","","2308","2313","10.1021/acscatal.9b05383","","x-ray","1.54184","CuKα","","0.0306","0.0296","","","0.0702","0.0721","","","","","","1.107","","","","has coordinates","257018","2020-10-21","18:00:00",""
"4517361","9.1592","0.0018","11.449","0.002","27.96","0.006","90","","90","","90","","2932","1","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 I N O5 P -","- C30 H35 I N O5 P -","- C120 H140 I4 N4 O20 P4 -","4","1","","Yang, Guo-Hui; Zheng, Hanliang; Li, Xin; Cheng, Jin-Pei","Asymmetric Synthesis of Axially Chiral Phosphamides via Atroposelective N-Allylic Alkylation","ACS Catalysis","2020","","","2324","2333","10.1021/acscatal.9b05443","","","0.71073","MoKα","","0.0333","0.0293","","","0.0614","0.078","","","","","","1.057","","","","has coordinates","257046","2020-10-21","18:00:00",""
"4517383","9.6286","0.0003","10.7523","0.0003","25.4679","0.0008","90","","90","","90","","2636.68","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Br2 O4 -","- C31 H26 Br2 O4 -","- C124 H104 Br8 O16 -","4","1","","Liu, Na; Zhu, Wanjiang; Yao, Jian; Yin, Long; Lu, Tao; Dou, Xiaowei","Catalyst-Controlled Chemodivergent Synthesis of Spirochromans from Diarylideneacetones and Organoboronic Acids","ACS Catalysis","2020","10","4","2596","2602","10.1021/acscatal.9b05577","","","0.71073","MoKα","","0.0455","0.0321","","","0.0562","0.0613","","","","","","1.047","","","","has coordinates","256991","2020-10-21","18:00:00",""
"4517435","18.4403","0.0012","25.068","0.0017","25.5947","0.0017","90","","90","","90","","11831.4","1.4","110.15","","110.15","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C94 H88 B Br2 Co F24 N6 O8 S2 -","- C94 H88 B Br2 Co F24 N6 O8 S2 -","- C376 H352 B4 Br8 Co4 F96 N24 O32 S8 -","4","1","","Kabes, Connor Q.; Maximuck, William J.; Ghosh, Subrata K.; Kumar, Anil; Bhuvanesh, Nattamai; Gladysz, John A.","Chiral Tricationic Tris(1,2-diphenylethylenediamine) Cobalt(III) Hydrogen Bond Donor Catalysts with Defined Carbon/Metal Configurations; Matched/Mismatched Effects upon Enantioselectivities with Enantiomeric Chiral Counter Anions","ACS Catalysis","2020","","","3249","3263","10.1021/acscatal.9b05496","","","0.8857","","","0.0777","0.0572","","","0.1477","0.1593","","","","","","1.016","","","","has coordinates","257022","2020-10-21","18:00:00",""
"4517436","6.2697","0.0003","10.8812","0.0005","27.9823","0.0013","90","","90","","90","","1909","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 B F3 N O4 -","- C18 H23 B F3 N O4 -","- C72 H92 B4 F12 N4 O16 -","4","1","","Fan, Dongyang; Zhang, Jian; Hu, Yanhua; Zhang, Zhenfeng; Gridnev, Ilya D.; Zhang, Wanbin","Asymmetric Hydrogenation of α-Boryl Enamides Enabled by Nonbonding Interactions","ACS Catalysis","2020","","","3232","3240","10.1021/acscatal.9b04543","","","1.54178","CuKα","","0.0457","0.0432","","","0.1148","0.118","","","","","","1.029","","","","has coordinates","257023","2020-10-21","18:00:00",""
"4517441","8.1886","0.0002","18.757","0.0003","20.4466","0.0004","90","","90","","90","","3140.47","0.11","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 N2 O10 -","- C29 H40 N2 O10 -","- C116 H160 N8 O40 -","4","1","","Hilton, Margaret J.; Brackett, Christopher M.; Mercado, Brandon Q.; Blagg, Brian S. J.; Miller, Scott J.","Catalysis-Enabled Access to Cryptic Geldanamycin Oxides","ACS Central Science","2020","","","","","10.1021/acscentsci.0c00024","","","1.54184","CuKα","","0.041","0.0365","","","0.0941","0.0968","","","","","","1.037","","","","has coordinates","248417","2020-10-21","18:00:00",""
"4517455","10.2207","0.0011","11.4378","0.0015","12.3943","0.0012","90","","90","","90","","1448.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Br O4 -","- C15 H15 Br O4 -","- C60 H60 Br4 O16 -","4","1","","Chen, Jun-Bo; Xu, Man; Zhang, Jun-Qi; Sun, Bing-Bing; Hu, Jia-Ming; Yu, Jie-Qiang; Wang, Xing-Wang; Xia, Yuanzhi; Wang, Zheng","Modular Chiral Bisoxalamide‒Copper-Catalyzed Asymmetric Oxo-Diels‒Alder Reaction: Carbonyl Coordination for High Enantio- and Diastereocontrols","ACS Catalysis","2020","","","3556","","10.1021/acscatal.9b05606","","x-ray","0.71073","MoKα","","0.1188","0.0606","","","0.1082","0.1291","","","","","","1.021","","","","has coordinates","248590","2020-10-21","18:00:00",""
"4517466","5.3519","0.0002","10.567","0.0004","26.7767","0.0011","90","","90","","90","","1514.32","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ent-22","ent-22","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0424","0.0408","","","0.0951","0.0961","","","","","","1.079","","","","has coordinates","249130","2020-10-21","18:00:00",""
"4517469","5.7224","0.0003","9.4414","0.0005","23.8273","0.0012","90","","90","","90","","1287.33","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ent-13","ent-13","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0306","0.0304","","","0.0778","0.078","","","","","","1.086","","","","has coordinates","249133","2020-10-21","18:00:00",""
"4517471","5.7576","0.0003","6.6825","0.0004","29.3671","0.0016","90","","90","","90","","1129.9","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ent-12","ent-12","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C56 H56 N8 O4 -","4","1","","Parr, Brendan T.; Pastor, Richard; Sellers, Benjamin D.; Pei, Zhonghua; Jaipuri, Firoz A.; Castanedo, Georgette M.; Gazzard, Lewis; Kumar, Sanjeev; Li, Xiaokai; Liu, Wen; Mendonca, Rohan; Pavana, Roheeth K.; Potturi, Hima; Shao, Cheng; Velvadapu, Venkata; Waldo, Jesse P.; Wu, Guosheng; Yuen, Po-wai; Zhang, Zuhui; Zhang, Yamin; Harris, Seth F.; Oh, Angela J.; DiPasquale, Antonio; Dement, Kevin; La, Hank; Goon, Leanne; Gustafson, Amy; VanderPorten, Erica C.; Mautino, Mario R.; Liu, Yichin","Implementation of the CYP Index for the Design of Selective Tryptophan-2,3-dioxygenase Inhibitors","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00004","","","1.54178","CuKα","","0.0339","0.0331","","","0.0821","0.0825","","","","","","1.05","","","","has coordinates","249135","2020-10-21","18:00:00",""
"4517484","11.1714","0.0003","19.5049","0.0005","22.2984","0.0006","90","","90","","90","","4858.8","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H43 Co O6 P3 -","- C57 H43 Co O6 P3 -","- C228 H172 Co4 O24 P12 -","4","1","","Chen, Jia-Feng; Li, Changkun","Cobalt-Catalyzed gem-Cross-Dimerization of Terminal Alkynes","ACS Catalysis","2020","","","3881","","10.1021/acscatal.9b05078","","","1.54178","CuKα","","0.07","0.0683","","","0.2013","0.2036","","","","","","1.05","","","","has coordinates","249231","2020-10-21","18:00:00",""
"4517495","7.447","0.0002","14.6245","0.0004","19.8929","0.0005","90","","90","","90","","2166.51","0.1","179.99","0.1","179.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 -","- C27 H34 O3 -","- C108 H136 O12 -","4","1","","Zhuo, Junming; Zhang, Yong; Li, Zijian; Li, Chao","Nickel-Catalyzed Direct Acylation of Aryl and Alkyl Bromides with Acylimidazoles","ACS Catalysis","2020","10","6","3895","3903","10.1021/acscatal.0c00246","","x-ray","0.71073","MoKα","","0.0405","0.0358","","","0.0908","0.0945","","","","","","1.031","","","","has coordinates","256995","2020-10-21","18:00:00",""
"4517606","7.362","0.0002","16.8285","0.0003","25.1572","0.0005","90","","90","","90","","3116.76","0.12","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H52 F3 O3 P S -","- C31 H52 F3 O3 P S -","- C124 H208 F12 O12 P4 S4 -","4","1","","Barber, Thomas; Argent, Stephen P.; Ball, Liam T.","Expanding Ligand Space: Preparation, Characterization, and Synthetic Applications of Air-Stable, Odorless Di-tert-alkylphosphine Surrogates","ACS Catalysis","2020","","","5454","5461","10.1021/acscatal.0c01414","","x-ray","1.54184","CuKα","","0.0692","0.0666","","","0.1796","0.1837","","","","","","1.041","","","","has coordinates","257040","2020-10-21","18:00:00",""
"4517638","5.383","0.003","12.923","0.007","43.54","0.02","90","","90","","90","","3029","3","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H8 N28 O14 -","- C16 H8 N28 O14 -","- C64 H32 N112 O56 -","4","1","","Zhai, Lianjie; Bi, Fuqiang; Zhang, Junlin; Zhang, Jiarong; Li, Xiangzhi; Wang, Bozhou; Chen, Sanping","3,4-Bis(3-tetrazolylfuroxan-4-yl)furoxan: A Linear C-C Bonded Pentaheterocyclic Energetic Material with High Heat of Formation and Superior Performance.","ACS omega","2020","5","19","11115","11122","10.1021/acsomega.0c01048","","","0.71073","MoKα","","0.0707","0.0432","","","0.0899","0.0993","","","","","","0.99","","","","has coordinates","252590","2020-10-21","18:00:00",""
"4517653","7.4599","0.0001","21.2716","0.0002","31.6447","0.0003","90","","90","","90","","5021.51","0.1","90.15","","90.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 O4 Si -","- C14 H28 O4 Si -","- C168 H336 O48 Si12 -","12","3","","Yoshikawa, Yusuke; Ishibashi, Airi; Takehara, Tsunayoshi; Suzuki, Takeyuki; Murai, Kenichi; Kaneda, Yasufumi; Nimura, Keisuke; Arisawa, Mitsuhiro","Design and Synthesis of 1,2-Deoxy-pyranose Derivatives of Spliceostatin A toward Prostate Cancer Treatment","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00153","","x-ray","1.54184","CuKα","","0.0369","0.0346","","","0.0865","0.0876","","","","","","1.047","","","","has coordinates","251982","2020-10-21","18:00:00",""
"4517678","5.76988","0.00007","11.91662","0.00014","21.9056","0.0002","90","","90","","90","","1506.17","0.03","100","0.1","100","0.1","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Lee, Maizie; Ren, Zhi; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-Stabilized Diarylcarbenes Behaving as Donor/Acceptor Carbenes","ACS Catalysis","2020","","","6240","6247","10.1021/acscatal.0c01131","","x-ray","1.54184","CuKα","","0.0272","0.0267","","","0.0665","0.0667","","","","","","1.0842","","","","has coordinates","257041","2020-10-21","18:00:00",""
"4517698","7.7735","0.0001","12.2996","0.0001","16.9155","0.0001","90","","90","","90","","1617.31","0.03","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Fast, Caleb D.; Jones, Caleb A. H.; Schley, Nathan D.","Selectivity and Mechanism of Iridium-Catalyzed Cyclohexyl Methyl Ether Cleavage","ACS Catalysis","2020","","","6450","6456","10.1021/acscatal.0c01718","","x-ray","1.54184","CuKα","","0.0321","0.0307","","","0.0792","0.0804","","","","","","1.045","","","","has coordinates","257047","2020-10-21","18:00:00",""
"4517735","6.19","0.0012","11.1","0.002","33.82","0.007","90","","90","","90","","2323.7","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 N2 O2 -","- C30 H26 N2 O2 -","- C120 H104 N8 O8 -","4","1","","Basavalingappa, Vasantha; Bera, Santu; Xue, Bin; O'Donnell, Joseph; Guerin, Sarah; Cazade, Pierre-Andre; Yuan, Hui; Haq, Ehtsham Ul; Silien, Christophe; Tao, Kai; Shimon, Linda J. W.; Tofail, Syed A. M.; Thompson, Damien; Kolusheva, Sofiya; Yang, Rusen; Cao, Yi; Gazit, Ehud","Diphenylalanine-Derivative Peptide Assemblies with Increased Aromaticity Exhibit Metal-like Rigidity and High Piezoelectricity.","ACS nano","2020","","","","","10.1021/acsnano.0c01654","","","0.8","synchrotron","","0.0703","0.061","","","0.1599","0.1686","","","","","","1.058","","","","has coordinates","252496","2020-10-21","18:00:00",""
"4517747","9.26094","0.00004","9.56903","0.00005","13.38456","0.00006","90","","90","","90","","1186.12","0.01","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0409","0.0408","","","0.1194","0.1196","","","","","","1.191","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517748","7.9009","0.0002","10.9614","0.0003","13.2772","0.0004","90","","90","","90","","1149.87","0.06","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 Cl N2 O5 -","- C11 H7 Cl N2 O5 -","- C44 H28 Cl4 N8 O20 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0394","0.036","","","0.0742","0.0764","","","","","","1.037","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517749","9.6892","0.0004","9.8837","0.0004","10.8874","0.0004","90","","90","","90","","1042.63","0.07","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C44 H32 N8 O20 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0409","0.037","","","0.081","0.0831","","","","","","1.053","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517752","4.7466","0.0001","12.1979","0.0002","16.5531","0.0003","90","","90","","90","","958.4","0.03","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O3 -","- C11 H8 N2 O3 -","- C44 H32 N8 O12 -","4","1","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","1.54184","CuKα","","0.0326","0.0313","","","0.0821","0.0831","","","","","","1.063","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517754","10.0284","0.0003","11.8376","0.0003","18.0484","0.0005","90","","90","","90","","2142.57","0.1","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O5 -","- C11 H8 N2 O5 -","- C88 H64 N16 O40 -","8","2","","Liu, Xin; Carr, Paul; Gardiner, Michael G.; Banwell, Martin G.; Elbanna, Ahmed H.; Khalil, Zeinab G.; Capon, Robert J.","Levoglucosenone and Its Pseudoenantiomer <i>iso</i>-Levoglucosenone as Scaffolds for Drug Discovery and Development.","ACS omega","2020","5","23","13926","13939","10.1021/acsomega.0c01331","","x-ray","0.71073","MoKα","","0.0453","0.039","","","0.0794","0.0823","","","","","","1.071","","","","has coordinates","253720","2020-10-21","18:00:00",""
"4517768","8.50945","0.00004","11.48583","0.00006","28.11292","0.00013","90","","90","","90","","2747.7","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Br N2 O2 -","- C30 H45 Br N2 O2 -","- C120 H180 Br4 N8 O8 -","4","1","","Pernak, Juliusz; Rzemieniecki, Tomasz; Klejdysz, Tomasz; Qu, Fengrui; Rogers, Robin D.","Conversion of Quinine Derivatives into Biologically Active Ionic Liquids: Advantages, Multifunctionality, and Perspectives","ACS Sustainable Chemistry & Engineering","2020","8","25","9263","9267","10.1021/acssuschemeng.0c03501","","x-ray","1.54184","CuKα","","0.0186","0.0186","","","0.0476","0.0477","","","","","","1.057","","","","has coordinates","257093","2020-10-21","18:00:00",""
"4517769","8.25467","0.00002","13.60583","0.00004","22.29025","0.00007","90","","90","","90","","2503.45","0.012","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 Br N2 O3 -","- C25 H37 Br N2 O3 -","- C100 H148 Br4 N8 O12 -","4","1","","Pernak, Juliusz; Rzemieniecki, Tomasz; Klejdysz, Tomasz; Qu, Fengrui; Rogers, Robin D.","Conversion of Quinine Derivatives into Biologically Active Ionic Liquids: Advantages, Multifunctionality, and Perspectives","ACS Sustainable Chemistry & Engineering","2020","8","25","9263","9267","10.1021/acssuschemeng.0c03501","","x-ray","1.54184","CuKα","","0.0166","0.0166","","","0.044","0.044","","","","","","1.062","","","","has coordinates","257093","2020-10-21","18:00:00",""
"4517776","5.5584","0.0014","14.559","0.004","27.412","0.007","90","","90","","90","","2218.3","1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 F6 N O4 S -","- C23 H17 F6 N O4 S -","- C92 H68 F24 N4 O16 S4 -","4","1","","Liu, Wentan; Yang, Wu; Zhu, Jiefeng; Guo, Yonghong; Wang, Na; Ke, Jie; Yu, Peiyuan; He, Chuan","Dual-Ligand-Enabled Ir(III)-Catalyzed Enantioselective C‒H Amidation for the Synthesis of Chiral Sulfoxides","ACS Catalysis","2020","10","13","7207","7215","10.1021/acscatal.0c02109","","x-ray","0.71073","MoKα","","0.0784","0.0663","","","0.1691","0.18","","","","","","1.047","","","","has coordinates,has disorder","257002","2020-10-21","18:00:00",""
"4517796","12.6221","0.0006","20.3106","0.001","22.3941","0.001","90","","90","","90","","5741","0.5","100","2","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H51 F9 N5 O9 P3 Ru S3 -","- C51 H51 F9 N5 O9 P3 Ru S3 -","- C204 H204 F36 N20 O36 P12 Ru4 S12 -","4","1","","Erickson, Jeremy D.; Preston, Andrew Z.; Linehan, John C.; Wiedner, Eric S.","Enhanced Hydrogenation of Carbon Dioxide to Methanol by a Ruthenium Complex with a Charged Outer-Coordination Sphere","ACS Catalysis","2020","10","13","7419","7423","10.1021/acscatal.0c02268","","","0.71073","MoKα","","0.0407","0.0376","","","0.0931","0.095","","","","","","1.074","","","","has coordinates,has disorder","257003","2020-10-21","18:00:00",""
"4517835","12.0312","0.0002","17.5337","0.0002","17.5386","0.0002","90","","90","","90","","3699.79","0.09","150.01","0.1","150.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H50 B12 N12 Ni O -","- C24 H50 B12 N12 Ni O -","- C96 H200 B48 N48 Ni4 O4 -","4","1","","Zhao, Xue; Yang, Ziqiong; Kuklin, Artem V.; Baryshnikov, Glib V.; Agren, Hans; Liu, Wenjing; Zhang, Haibo; Zhou, Xiaohai","BCN Encapsulated Nano-nickel Synergistically Promotes Ambient Electrochemical Dinitrogen Reduction.","ACS applied materials & interfaces","2020","","","","","10.1021/acsami.0c06649","","x-ray","1.54184","CuKα","","0.0737","0.0726","","","0.1847","0.1873","","","","","","1.078","","","","has coordinates,has disorder","254027","2020-10-21","18:00:00",""
"4517844","3.87758","0.00014","7.6453","0.0003","23.7995","0.0009","90","","90","","90","","705.54","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 N2 -","- C9 H6 N2 -","- C36 H24 N8 -","4","1","","Pisarek, Joanna; Malinska, Maura","Structure and Morphology of Indole Analogue Crystals.","ACS omega","2020","5","28","17141","17151","10.1021/acsomega.0c01020","","x-ray","1.54184","CuKα","","0.0353","0.0326","","","0.0768","0.0789","","","","","","1.11","","","","has coordinates","254764","2020-10-21","18:00:00",""
"4517847","4.163","0.007","14.96","0.02","19.62","0.03","90","","90","","90","","1222","3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy-3-(thiophen-2-yl)prop-2-en-1-one","","- C12 H12 N2 O2 S -","- C12 H13 N2 O2 S -","- C48 H52 N8 O8 S4 -","4","1","","Tighadouini, Said; Radi, Smaail; El Massaoudi, Mohamed; Lakbaibi, Zouhair; Ferbinteanu, Marilena; Garcia, Yann","Efficient and Environmentally Friendly Adsorbent Based on β-Ketoenol-Pyrazole-Thiophene for Heavy-Metal Ion Removal from Aquatic Medium: A Combined Experimental and Theoretical Study.","ACS omega","2020","5","28","17324","17336","10.1021/acsomega.0c01616","","x-ray","0.71075","MoKα","","0.369","0.1786","","","0.4108","0.5506","","","","","","1.0011","","","","has coordinates","254765","2020-10-21","18:00:00",""
"4517850","6.53867","0.00007","6.85703","0.00006","35.6756","0.0003","90","","90","","90","","1599.55","0.03","140.01","0.13","140.01","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Wang, Shou-Guo; Cramer, Nicolai","Asymmetric CpxRh(III)-Catalyzed Acrylic Acid C‒H Functionalization with Allenes Provides Chiral γ-Lactones","ACS Catalysis","2020","","","8231","8236","10.1021/acscatal.0c02430","","x-ray","1.54184","CuKα","","0.0264","0.0256","","","0.0655","0.0663","","","","","","1.055","","","","has coordinates","257045","2020-10-21","18:00:00",""
"4517851","9.2261","0.0003","9.7377","0.0004","22.6198","0.0009","90","","90","","90","","2032.19","0.13","170","2","169.98","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F N2 O -","- C25 H23 F N2 O -","- C100 H92 F4 N8 O4 -","4","1","","Shen, Yang; Shen, Meng-Lan; Wang, Pu-Sheng","Light-Mediated Chiral Phosphate Catalysis for Asymmetric Dicarbofunctionalization of Enamides","ACS Catalysis","2020","","","8247","8253","10.1021/acscatal.0c02660","","","1.34139","GaKα","","0.0427","0.0386","","","0.0925","0.096","","","","","","1.064","","","","has coordinates","257044","2020-10-21","18:00:00",""
"4517860","11.5709","0.0001","15.9742","0.0001","26.5954","0.0001","90","","90","","90","","4915.78","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H57 Na O31 -","- C36 H57 Na O31 -","- C144 H228 Na4 O124 -","4","1","","Li, Han; Shi, Linfan; Li, Chao; Fu, Xiong; Huang, Qiang; Zhang, Bin","Metal-Organic Framework Based on α-Cyclodextrin Gives High Ethylene Gas Adsorption Capacity and Storage Stability.","ACS applied materials & interfaces","2020","12","30","34095","34104","10.1021/acsami.0c08594","","","1.54178","CuKα","","0.047","0.0468","","","0.1386","0.1388","","","","","","1.097","","","","has coordinates","256984","2020-10-21","18:00:00",""
"4517868","12.7623","0.00006","28.938","0.00009","5.3229","0.00004","90","","90","","90","","1965.83","0.018","100","","100","","","","","","","","synthesised","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O3 -","- C21 H33 N O3 -","- C84 H132 N4 O12 -","4","1","","Chen, Jun; Boott, Charlotte E.; Lewis, Lev; Siu, Andrew; Al-Debasi, Renad; Carta, Veronica; Fogh, Amanda A.; Kurek, Daniel Z.; Wang, Lilo; MacLachlan, Mark J.; Hum, Gabriel","Amino Acid-Containing Phase-Selective Organogelators: A Water-Based Delivery System for Oil Spill Treatment","ACS Omega","2020","","","","","10.1021/acsomega.0c01821","","","0.71073","MoKα","","0.1168","0.1096","","0.2805","0.2774","0.2687","","","","","","1.0336","","","","has coordinates","254513","2020-10-21","18:00:00",""
"4517879","17.0512","0.0008","20.0506","0.0009","22.7296","0.001","90","","90","","90","","7770.9","0.6","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H109.5 Cl Cr2 N5.5 O5 -","- C74 H108 Cl Cr2 N5 O5 -","- C296 H432 Cl4 Cr8 N20 O20 -","4","1","","Lipinski, Bryce M.; Walker, Katherine L.; Clayman, Naomi E.; Morris, Lilliana S.; Jugovic, Timothy M. E.; Roessler, Allison G.; Getzler, Yutan D. Y. L.; MacMillan, Samantha N.; Zare, Richard N.; Zimmerman, Paul M.; Waymouth, Robert M.; Coates, Geoffrey W.","Mechanistic Study of Isotactic Poly(propylene oxide) Synthesis using a Tethered Bimetallic Chromium Salen Catalyst","ACS Catalysis","2020","","","8960","8967","10.1021/acscatal.0c02135","","","0.71073","MoKα","","0.0673","0.0511","","","0.0993","0.1047","","","","","","1.026","","","","has coordinates","257019","2020-10-21","18:00:00",""
"4517891","9.4887","0.0001","9.8639","0.0001","26.3497","0.0002","90","","90","","90","","2466.22","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N3 O7 -","- C27 H29 N3 O7 -","- C108 H116 N12 O28 -","4","1","","Ghosh, Moumita; Bera, Santu; Schiffmann, Sarah; Shimon, Linda J. W.; Adler-Abramovich, Lihi","Collagen-Inspired Helical Peptide Coassembly Forms a Rigid Hydrogel with Twisted Polyproline II Architecture","ACS Nano","2020","","","","","10.1021/acsnano.0c03085","","","1.54184","CuKα","","0.0313","0.0308","","","0.0769","0.0773","","","","","","1.043","","","","has coordinates","255213","2020-10-21","18:00:00",""
"4518040","6.4822","0.0001","15.0713","0.0002","16.8103","0.0002","90","","90","","90","","1642.29","0.04","110","0.1","110","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C1.74 H1.74 O0.35 -","- C1.73913 H1.73913 O0.347826 -","- C80 H80 O16 -","46","11.5","","Xue, Zaikun; Li, Yao; Luo, Sanzhong","Chiral Primary Amine-Catalyzed Divergent Coupling of α-Substituted Acrylaldehydes with α-Diazoesters","ACS Catalysis","2020","","","10989","","10.1021/acscatal.0c02405","","x-ray","1.54184","CuKα","","0.0311","0.0295","","","0.0745","0.0768","","","","","","1.109","","","","has coordinates","256409","2020-10-21","18:00:00",""
"4518047","7.0716","0.0003","14.82","0.0004","15.8935","0.0006","90","","90","","90","","1665.66","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cl2 N3 O5 -","- C13 H19 Cl2 N3 O5 -","- C52 H76 Cl8 N12 O20 -","4","1","","Gissot, Arnaud; Massip, Stéphane; Barthélémy, Philippe","Intramolecular Michael Additions in Uridine Derivatives: Isolation of the Labile 5′O-C6 Cyclonucleoside","ACS Omega","2020","5","38","24746","24753","10.1021/acsomega.0c03348","","","1.54184","CuKα","","0.0609","0.0585","","","0.1546","0.1567","","","","","","1.02","","","","has coordinates","257074","2020-10-21","18:00:00",""
"4518088","6.3541","0.0003","11.5712","0.0003","32.2251","0.0004","90","","90","","90","","2369.34","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O4 S -","- C26 H36 O4 S -","- C104 H144 O16 S4 -","4","1","","Yuan, Penghui; Yang, Dezhi; Wang, Ruonan; Gong, Ningbo; Zhang, Li; Lu, Yang; Du, Guanhua","Characterization of a New Solvatomorph of Drospirenone by Thermogravimetry‒Mass Spectrometry Combined with Other Solid-State Analysis Methods","ACS Omega","2020","","","","","10.1021/acsomega.0c03531","","","1.54178","CuKα","","0.045","0.0406","","","0.1073","0.1114","","","","","","0.994","","","","has coordinates,has disorder","256740","2020-10-21","18:00:00",""
"4518089","12.22","0.004","12.6","0.005","12.894","0.004","90","","90","","90","","1985.3","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C96 H120 O12 -","4","1","","Yuan, Penghui; Yang, Dezhi; Wang, Ruonan; Gong, Ningbo; Zhang, Li; Lu, Yang; Du, Guanhua","Characterization of a New Solvatomorph of Drospirenone by Thermogravimetry‒Mass Spectrometry Combined with Other Solid-State Analysis Methods","ACS Omega","2020","","","","","10.1021/acsomega.0c03531","","","1.54178","CuKα","","0.0398","0.0355","","","0.0946","0.0987","","","","","","1.016","","","","has coordinates","256741","2020-10-21","18:00:00",""
"4518092","10.8133","0.0011","18.3449","0.0019","22.899","0.002","90","","90","","90","","4542.4","0.8","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 F6 Mn N4 O6 S2 -","- C42 H52 F6 Mn N4 O6 S2 -","- C168 H208 F24 Mn4 N16 O24 S8 -","4","1","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.1211","0.0852","","","0.2218","0.2484","","","","","","1.049","","","","has coordinates","256828","2020-10-21","18:00:00",""
"4518095","10.8038","0.0008","18.2978","0.0014","22.8902","0.0017","90","","90","","90","","4525.1","0.6","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 F6 Mn N4 O6 S2 -","- C42 H52 F6 Mn N4 O6 S2 -","- C168 H208 F24 Mn4 N16 O24 S8 -","4","1","","Lin, Jin; Miao, Chengxia; Wang, Fang; Yang, Peiju; Sun, Qiangsheng; Sun, Wei","Effect of Ligand Topology on the Reactivity of Chiral Tetradentate Aminopyridine Manganese Complexes","ACS Catalysis","2020","","","11857","11863","10.1021/acscatal.0c02634","","","0.71073","MoKα","","0.1308","0.085","","","0.2314","0.2675","","","","","","1.086","","","","has coordinates","256831","2020-10-21","18:00:00",""
"4518101","7.5432","0.0001","17.2692","0.0003","18.1411","0.0003","90","","90","","90","","2363.15","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 O2 S2 -","- C24 H38 O2 S2 -","- C96 H152 O8 S8 -","4","1","","Santalla, Hugo; Gándara, Zoila; Gómez-Bouzó, Uxía; Gómez, Generosa; Fall, Yagamare","Easy Access to Polyfunctionalized Chiral Decalins","ACS Omega","2020","","","","","10.1021/acsomega.0c03504","","","1.54178","CuKα","","0.0307","0.0299","","","0.0814","0.0823","","","","","","1.054","","","","has coordinates","256872","2020-10-21","18:00:00",""
"4518102","7.3051","0.0014","9.8993","0.0019","19.553","0.004","90","","90","","90","","1414","0.5","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Cl2 N2 O2 -","- C15 H12 Cl2 N2 O2 -","- C60 H48 Cl8 N8 O8 -","4","1","","Centko, Ryan M.; Carlile, Graeme W.; Barne, Isabel; Patrick, Brian O.; Blagojevic, Polina; Thomas, David Y.; Andersen, Raymond J.","Combination of Selective PARP3 and PARP16 Inhibitory Analogues of Latonduine A Corrects F508del-CFTR Trafficking","ACS Omega","2020","","","","","10.1021/acsomega.0c02467","","x-ray","0.71073","MoKα","","0.0434","0.0329","","","0.064","0.0679","","","","","","1.027","","","","has coordinates","256873","2020-10-21","18:00:00",""
"4518106","11.5951","0.0002","15.3645","0.0003","18.9752","0.0005","90","","90","","90","","3380.49","0.13","296.54","0.18","296.54","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C1.97 H2.67 N0.25 O0.44 -","- C1.96825 H2.66667 N0.253968 O0.444444 -","- C124 H168 N16 O28 -","63","15.75","","Dalabehera, Nihar Ranjan; Meher, Sagarika; Bhusana Palai, Bibhuti; Sharma, Nagendra K.","Instability of Amide Bond with Trifluoroacetic Acid (20%): Synthesis, Conformational Analysis, and Mechanistic Insights into Cleavable Amide Bond Comprising β-Troponylhydrazino Acid.","ACS omega","2020","5","40","26141","26152","10.1021/acsomega.0c03729","","x-ray","1.54184","CuKα","","0.0811","0.0683","","","0.2023","0.2176","","","","","","1.057","","","","has coordinates","258703","2020-11-04","01:18:03",""
"4518108","6.4796","0.0002","10.8112","0.0004","17.4816","0.0006","90","","90","","90","","1224.63","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Br N -","- C14 H18 Br N -","- C56 H72 Br4 N4 -","4","1","","Li, Zhenghua; Zhang, Liang; Nishiura, Masayoshi; Luo, Gen; Luo, Yi; Hou, Zhaomin","Enantioselective Cyanoborylation of Allenes by N-Heterocyclic Carbene-Copper Catalysts","ACS Catalysis","2020","","","11685","11692","10.1021/acscatal.0c03018","","","0.71073","MoKα","","0.0258","0.0235","","","0.0557","0.0567","","","","","","1.045","","","","has coordinates","256945","2020-10-21","18:00:00",""
"4518163","9.618","","14.2124","0.0001","14.4586","0.0001","90","","90","","90","","1976.42","0.019","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 B Fe N -","- C22 H30 B Fe N -","- C88 H120 B4 Fe4 N4 -","4","1","","Dong, Wu-Wei; Li, Yi-Nan; Chang, Xin; Shen, Chong; Wang, Chun-Jiang","Chiral Ugi-Type Amines: Practical Synthesis, Ligand Development, and Asymmetric Catalysis","ACS Catalysis","2020","","","12954","12959","10.1021/acscatal.0c04077","","x-ray","1.54178","CuKα","","0.0173","0.0171","","","0.0456","0.0457","","","","","","1.034","","","","has coordinates","258550","2020-10-22","21:30:36",""
"4518165","13.7004","0.0002","20.3764","0.0003","29.3278","0.0005","90","","90","","90","","8187.3","0.2","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C96 H82 B2 F8 O6 P4 Pd2 -","- C96 H82 B2 F8 O6 P4 Pd2 -","- C384 H328 B8 F32 O24 P16 Pd8 -","4","1","","Sugawara, Masumi; Ohnishi, Rikako; Ezawa, Tetsuya; Akakabe, Mai; Sawamura, Miki; Hojo, Daiki; Hashizume, Daisuke; Sohtome, Yoshihiro; Sodeoka, Mikiko","Regiodivergent Oxidative Cross-Coupling of Catechols with Persistent tert-Carbon Radicals","ACS Catalysis","2020","","","12770","12782","10.1021/acscatal.0c03986","","","0.71073","MoKα","","0.0762","0.0492","","","0.091","0.0994","","","","","","1.038","","","","has coordinates,has disorder","258552","2020-10-22","21:31:37",""
"4518181","5.24","0.0001","6.2805","0.0001","23.9605","0.0006","90","","90","","90","","788.54","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 Cl O -","- C7 H13 Cl O -","- C28 H52 Cl4 O4 -","4","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","0.71073","MoKα","","0.0507","0.0393","","","0.0698","0.0744","","","","","","1.064","","","","has coordinates","258602","2020-10-26","22:25:49",""
"4518183","7.2887","0.0001","9.0165","0.0002","15.2516","0.0003","90","","90","","90","","1002.31","0.03","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Cl O2 -","- C9 H15 Cl O2 -","- C36 H60 Cl4 O8 -","4","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","1.54184","CuKα","","0.0314","0.0295","","","0.0755","0.0767","","","","","","1.053","","","","has coordinates","258602","2020-10-26","22:26:00",""
"4518184","6.1266","0.0001","8.4858","0.0002","18.3913","0.0004","90","","90","","90","","956.15","0.03","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Venturi, Silvia; Brenna, Elisabetta; Colombo, Danilo; Fraaije, Marco W.; Gatti, Francesco G.; Macchi, Piero; Monti, Daniela; Trajkovic, Milos; Zamboni, Emilio","Multienzymatic Stereoselective Reduction of Tetrasubstituted Cyclic Enones to Halohydrins with Three Contiguous Stereogenic Centers","ACS Catalysis","2020","","","13050","13057","10.1021/acscatal.0c04097","","x-ray","1.54184","CuKα","","0.0516","0.045","","","0.1119","0.115","","","","","","1.13","","","","has coordinates","258602","2020-10-26","22:26:01",""
"4518195","11.3768","0.0002","13.3425","0.0002","24.5874","0.0005","90","","90","","90","","3732.24","0.11","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O3 -","- C20 H19 Br N2 O3 -","- C160 H152 Br8 N16 O24 -","8","2","","Harada, Shingo; Kobayashi, Mayu; Kono, Masato; Nemoto, Tetsuhiro","Site-Selective and Chemoselective C‒H Functionalization for the Synthesis of Spiroaminals via a Silver-Catalyzed Nitrene Transfer Reaction","ACS Catalysis","2020","10","22","13296","13304","10.1021/acscatal.0c04057","","","1.54187","CuKα","","0.0673","0.0462","","","0.0758","0.0817","","","","","","1.023","","","","has coordinates","259501","2020-12-04","02:11:54",""
"4518220","9.5404","0.0002","11.4408","0.0002","21.1667","0.0003","90","","90","","90","","2310.34","0.07","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 Cl O P3 Pd -","- C20 H32 Cl O P3 Pd -","- C80 H128 Cl4 O4 P12 Pd4 -","4","1","","Takeuchi, Katsuhiko; Kim, Kun-Woo; Kim, Yong-Joo; Fukaya, Norihisa; Sato, Kazuhiko; Choi, Jun-Chul","Synthesis and Structure of Multinuclear Pd(II) Complexes Bridged by Phosphide or Azide Ligands.","ACS omega","2020","5","46","29706","29713","10.1021/acsomega.0c03317","","","0.71073","MoKα","","0.015","0.0148","","","0.0381","0.0381","","","","","","1.088","","","","has coordinates","259505","2020-12-04","02:13:35",""
"4518258","9.18072","0.00012","9.24659","0.00012","26.9361","0.0003","90","","90","","90","","2286.62","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O4 S -","- C26 H33 N O4 S -","- C104 H132 N4 O16 S4 -","4","1","","Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E.","Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides","ACS Medicinal Chemistry Letters","2020","","","","","10.1021/acsmedchemlett.0c00534","","x-ray","1.54184","CuKα","","0.0346","0.0338","","","0.0839","0.0844","","","","","","1.026","","","","has coordinates","259208","2020-11-20","22:56:10",""
"4518317","5.7103","0.0001","14.1241","0.0004","21.931","0.0006","90","","90","","90","","1768.8","0.08","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(+)-10r","","","- C20 H21 N3 O2 -","- C20 H21 N3 O2 -","- C80 H84 N12 O8 -","4","1","","Porter, Matthew R.; Xiao, Haiyan; Maity, Sanjay; Vail, Nora; Smith, Sylvia B.; Topczewski, Joseph J.","Enhanced Affinity for 3-Amino-Chromane-Derived σ<sub>1</sub> Receptor Ligands.","ACS omega","2020","5","50","32724","32737","10.1021/acsomega.0c05117","","","0.71073","MoKα","","0.0436","0.0377","","","0.116","0.1223","","","","","","0.958","","","","has coordinates","260414","2021-01-04","03:05:51",""
"4518343","9.1022","0.0009","11.2466","0.0011","27.186","0.003","90","","90","","90","","2783","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 B O5 -","- C31 H35 B O5 -","- C124 H140 B4 O20 -","4","1","","Nguyen, Kevin; Clement, Helen A.; Bernier, Louise; Coe, Jotham W.; Farrell, William; Helal, Christopher J.; Reese, Matthew R.; Sach, Neal W.; Lee, Jack C.; Hall, Dennis G.","Catalytic Enantioselective Synthesis of a cis-β-Boronyl Cyclobutylcarboxyester Scaffold and Its Highly Diastereoselective Nickel/Photoredox Dual-Catalyzed Csp3‒Csp2 Cross-Coupling to Access Elusive trans-β-Aryl/Heteroaryl Cyclobutylcarboxyesters","ACS Catalysis","2020","","","404","413","10.1021/acscatal.0c04520","","","0.71073","MoKα","","0.0472","0.0374","","","0.0907","0.0974","","","","","","1.033","","","","has coordinates","260089","2020-12-22","22:26:07",""
"4518346","14.4646","0.0003","23.7613","0.0005","26.3686","0.0006","90","","90","","90","","9062.8","0.3","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C98 H66 Cl6 F12 N4 O14 Rh2 -","- C98 H66 Cl6 F12 N4 O14 Rh2 -","- C392 H264 Cl24 F48 N16 O56 Rh8 -","4","1","","Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi","Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions","ACS Catalysis","2020","","","568","578","10.1021/acscatal.0c03689","","","0.71075","MoKα","","0.0988","0.0529","","","0.1018","0.1393","","","","","","1.169","","","","has coordinates","260176","2020-12-28","22:19:53",""
"4518407","7.1212","0.00006","13.75566","0.00014","18.96034","0.00018","90","","90","","90","","1857.29","0.03","99.9","0.4","99.9","0.4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 B0 F0 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Xin, Luoting; Wan, Wan; Yu, Yinghua; Wan, Qiuling; Ma, Liyao; Huang, Xueliang","Construction of Protoberberine Alkaloid Core through Palladium Carbene Bridging C‒H Bond Functionalization and Pyridine Dearomatization","ACS Catalysis","2021","","","1570","1577","10.1021/acscatal.0c05156","","","1.3415","GaKα","","0.0287","0.0282","","","0.0735","0.0737","","","","","","1.046","","","","has coordinates","261056","2021-01-19","22:31:16",""
"4518413","9.35619","0.00004","16.99","0.00007","17.21824","0.00008","90","","90","","90","","2737.04","0.02","101","2","101","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl2 N2 O4 S2 -","- C27 H30 Cl2 N2 O4 S2 -","- C108 H120 Cl8 N8 O16 S8 -","4","1","","Zhu, Bo-Han; Zhang, Ying-Qi; Xu, Hao-Jin; Li, Long; Deng, Guo-Cheng; Qian, Peng-Cheng; Deng, Chao; Ye, Long-Wu","Regio- and Stereoselective Synthesis of Diverse 3,4-Dihydro-2-quinolones through Catalytic Hydrative Cyclization of Imine- and Carbonyl-Ynamides with Water","ACS Catalysis","2021","","","1706","1713","10.1021/acscatal.0c04786","","x-ray","1.54184","CuKα","","0.0285","0.0267","","","0.0669","0.0684","","","","","","1.043","","","","has coordinates","261117","2021-01-21","22:23:21",""
"4518420","9.9196","0.0003","11.7763","0.0003","21.4011","0.0006","90","","90","","90","","2499.99","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","'((2R,3S,4S,6S)-3-acetoxy-4-(picolinamido)-6-(2,3,4-trimethoxyphenyl) tetrahydro-2H-pyran-2-yl)methyl acetate'","","","- C25 H30 N2 O9 -","- C25 H30 N2 O9 -","- C100 H120 N8 O36 -","4","1","","Ghouilem, Juba; Tran, Christine; Grimblat, Nicolas; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir","Diastereoselective Pd-Catalyzed Anomeric C(sp3)‒H Activation: Synthesis of α-(Hetero)aryl C-Glycosides","ACS Catalysis","2021","","","1818","1826","10.1021/acscatal.0c05052","","x-ray","0.71073","MoKα","","0.0535","0.0422","","","0.1093","0.1128","","","","","","1.056","","","","has coordinates,has disorder","261235","2021-01-26","22:25:33",""
"4518421","10.0246","0.0004","11.6273","0.0004","21.2713","0.0008","90","","90","","90","","2479.36","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'((2R,3S,4S,6S)-3-acetoxy-6-(4-isopropylphenyl)- 4-(picolinamido)tetrahydro-2H-pyran-2-yl)methyl acetate'","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C100 H120 N8 O24 -","4","1","","Ghouilem, Juba; Tran, Christine; Grimblat, Nicolas; Retailleau, Pascal; Alami, Mouad; Gandon, Vincent; Messaoudi, Samir","Diastereoselective Pd-Catalyzed Anomeric C(sp3)‒H Activation: Synthesis of α-(Hetero)aryl C-Glycosides","ACS Catalysis","2021","","","1818","1826","10.1021/acscatal.0c05052","","x-ray","0.71073","MoKα","","0.0613","0.051","","","0.1383","0.1446","","","","","","1.042","","","","has coordinates","261236","2021-01-26","22:25:57",""
"4518422","8.4774","0.0001","10.9811","0.0001","18.1554","0.0001","90","","90","","90","","1690.11","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Liang, Ren-Xiao; Zhong, Chao; Liu, Zhi-Hong; Yang, Miao; Tang, Heng-Wei; Chen, Jian-Fei; Yang, Yun-Fang; Jia, Yi-Xia","Enantioselective Arylation of Tetrasubstituted Enamines: Access to Enantioenriched Indolenine and 1H-Indole Derivatives","ACS Catalysis","2021","","","1827","1832","10.1021/acscatal.0c05020","","x-ray","1.54184","CuKα","","0.0229","0.0227","","","0.0587","0.0588","","","","","","1.054","","","","has coordinates","261237","2021-01-26","22:26:32",""
"4518459","9.1792","0.0003","13.8808","0.0004","23.1857","0.0008","90","","90","","90","","2954.2","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H48 Co I2 P2 -","- C26 H48 Co I2 P2 -","- C104 H192 Co4 I8 P8 -","4","1","","Kim, Yeong Bum; Kim, Dongwook; Dighe, Shashikant U.; Chang, Sukbok; Park, Jung-Woo","Cobalt-Hydride-Catalyzed Hydrosilylation of 3-Alkynes Accompanying π-Bond Migration","ACS Catalysis","2021","","","1548","1553","10.1021/acscatal.0c05424","","","0.71073","MoKα","","0.0466","0.0294","","","0.0486","0.0532","","","","","","1.062","","","","has coordinates","261404","2021-02-03","20:20:06",""
"4518460","16.485","0.003","24.296","0.004","24.715","0.004","90","","90","","90","","9899","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 F N2 O7 -","- C37 H35 F N2 O7 -","- C444 H420 F12 N24 O84 -","12","3","","Tang, Xiaodong; Tan, Chuan Xiang Alvin; Chan, Wai-Lun; Zhang, Fuhao; Zheng, Wenrui; Lu, Yixin","Dielectrophilic Allenic Ketone-Enabled [4 + 2] Annulation with 3,3’-Bisoxindoles: Enantioselective Creation of Two Contiguous Quaternary Stereogenic Centers","ACS Catalysis","2021","","","1361","1367","10.1021/acscatal.0c05225","","","1.54178","CuKα","","0.0674","0.066","","","0.1824","0.1839","","","","","","1.049","","","","has coordinates,has disorder","261405","2021-02-03","20:21:34",""
"4518462","5.781","0.0004","9.7023","0.0005","56.176","0.003","90","","90","","90","","3150.9","0.3","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 Br O2 -","- C36 H51 Br O2 -","- C144 H204 Br4 O8 -","4","1","","Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy","ACS Catalysis","2021","","","1042","1052","10.1021/acscatal.0c05574","","x-ray","0.71073","MoKα","","0.0601","0.0546","","","0.1188","0.1226","","","","","","1.077","","","","has coordinates","261407","2021-02-03","20:22:40",""
"4518463","4.6608","0.0002","8.0082","0.0003","22.8683","0.0009","90","","90","","90","","853.55","0.06","98","2","98","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N -","- C11 H9 N -","- C44 H36 N4 -","4","1","","Dang, Hang T.; Nguyen, Viet D.; Haug, Graham C.; Vuong, Ngan T. H.; Arman, Hadi D.; Larionov, Oleg V.","Z-Selective Dienylation Enables Stereodivergent Construction of Dienes and Unravels a Ligand-Driven Mechanistic Dichotomy","ACS Catalysis","2021","","","1042","1052","10.1021/acscatal.0c05574","","x-ray","0.71073","MoKα","","0.0392","0.0389","","","0.0839","0.0841","","","","","","1.218","","","","has coordinates","261408","2021-02-03","20:23:03",""
"4518505","4.6993","0.0005","10.038","0.001","30.155","0.003","90","","90","","90","","1422.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","HMBA","","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Kamaal, Saima; Mehkoom, Mohd; Ali, Arif; Afzal, S. M.; Alam, Mohammad Jane; Ahmad, Shabbir; Ahmad, Musheer","Potential Third-Order Nonlinear Optical Response Facilitated by Intramolecular Charge Transfer in a Simple Schiff Base Molecule: Experimental and Theoretical Exploration","ACS Omega","2021","","","","","10.1021/acsomega.0c05557","","","0.71073","MoKα","","0.0621","0.0464","","","0.1023","0.1121","","","","","","1.08","","","","has coordinates","262238","2021-02-25","22:37:33",""
"4518528","8.0424","0.00005","13.88872","0.00007","25.03583","0.00014","90","","90","","90","","2796.47","0.03","100.01","0.1","100.01","0.1","","","","","","","Lindera aggregata","3","P 21 21 21","P 2ac 2ab","19","","Linderaggrenolide A","","- C31 H38 O8 -","- C31 H38 O8 -","- C124 H152 O32 -","4","1","","Liu, Xin; Fu, Jing; Yang, Ji; Huang, Ancheng C.; Li, Run-Feng; Bai, Li-Ping; Liu, Liang; Jiang, Zhi-Hong; Zhu, Guo-Yuan","Linderaggrenolides A‒N, Oxygen-Conjugated Sesquiterpenoid Dimers from the Roots of Lindera aggregata","ACS Omega","2021","6","8","5898","5909","10.1021/acsomega.0c06349","","x-ray","1.54184","CuKα","","0.0311","0.0307","","","0.0787","0.079","","","","","","1.058","","","","has coordinates","262412","2021-03-03","21:08:00",""
"4518545","8.3815","0.0002","16.1769","0.0003","28.5494","0.0006","90","","90","","90","","3870.92","0.14","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Br2 N2 O6 S2 -","- C40 H40 Br2 N2 O6 S2 -","- C160 H160 Br8 N8 O24 S8 -","4","1","","Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu","Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles","ACS Catalysis","2021","11","6","3679","3686","10.1021/acscatal.1c00461","","x-ray","1.54184","CuKα","","0.0602","0.052","","","0.138","0.1704","","","","","","1.111","","","","has coordinates","263581","2021-04-04","09:57:58",""
"4518548","9.0104","0.0006","16.6022","0.001","18.9828","0.0011","90","","90","","90","","2839.7","0.3","150","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","z","","- C32 H33 N O5 S2 -","- C32 H33 N O5 S2 -","- C128 H132 N4 O20 S8 -","4","1","","Zhang, Yuanyuan; Liang, Yaoyu; Zhao, Xiaodan","Chiral Selenide-Catalyzed, Highly Regio- and Enantioselective Intermolecular Thioarylation of Alkenes with Phenols","ACS Catalysis","2021","11","6","3755","3761","10.1021/acscatal.1c00296","","","1.34138","GaKα","","0.0414","0.0359","","","0.0902","0.0924","","","","","","1.091","","","","has coordinates","263577","2021-04-04","09:57:20",""
"4518574","7.5864","0.0004","12.9878","0.0007","21.6163","0.0012","90","","90","","90","","2129.9","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl2 N4 O Ru S -","- C18 H24 Cl2 N4 O Ru S -","- C72 H96 Cl8 N16 O4 Ru4 S4 -","4","1","","Karmakar, Jit; Nandy, Promita; Das, Saurabh; Bhattacharya, Debalina; Karmakar, Parimal; Bhattacharya, Samaresh","Utilization of Guanidine-Based Ancillary Ligands in Arene‒Ruthenium Complexes for Selective Cytotoxicity","ACS Omega","2021","6","12","8226","8238","10.1021/acsomega.0c06265","","","0.71073","MoKα","","0.0485","0.0452","","","0.1148","0.1175","","","","","","1.035","","","","has coordinates","263588","2021-04-04","09:59:35",""
"4518598","6.961","0.003","12.032","0.005","16.96","0.006","90","","90","","90","","1420.5","1","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","","Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T.","Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines","ACS Catalysis","2021","","","4576","4582","10.1021/acscatal.1c00789","","","0.71073","MoKα","","0.0731","0.0496","","","0.1302","0.155","","","","","","1.106","","","","has coordinates","263558","2021-04-03","19:52:30",""
"4518600","9.3825","0.001","9.86","0.0011","13.868","0.0012","90","","90","","90","","1282.9","0.2","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N3 O2 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Tathe, Akash G.; Urvashi,; Yadav, Amit K.; Chintawar, Chetan C.; Patil, Nitin T.","Gold-Catalyzed 1,2-Aminoarylation of Alkenes with External Amines","ACS Catalysis","2021","","","4576","4582","10.1021/acscatal.1c00789","","","0.71073","MoKα","","0.128","0.0639","","","0.0961","0.11","","","","","","1.073","","","","has coordinates","263561","2021-04-03","19:53:20",""
"4518602","11.3688","0.0009","15.8213","0.0004","22.0726","0.0009","90","","90","","90","","3970.2","0.4","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H56 N6 O -","- C44 H56 N6 O -","- C176 H224 N24 O4 -","4","1","","Hohlman, Robert M.; Newmister, Sean A.; Sanders, Jacob N.; Khatri, Yogan; Li, Shasha; Keramati, Nikki R.; Lowell, Andrew N.; Houk, K. N.; Sherman, David H.","Structural Diversification of Hapalindole and Fischerindole Natural Products via Cascade Biocatalysis","ACS Catalysis","2021","11","8","4670","4681","10.1021/acscatal.0c05656","","","1.54184","CuKα","","0.1088","0.0874","","","0.2313","0.2539","","","","","","1.017","","","","has coordinates,has disorder","264816","2021-05-04","00:48:03",""
"4518676","8.38863","0.00008","11.45356","0.0001","24.7725","0.0002","90","","90","","90","","2380.13","0.04","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 F3 N O4 Si -","- C22 H28 F3 N O4 Si -","- C88 H112 F12 N4 O16 Si4 -","4","1","","Dong, Kuiyong; Zheng, Haifeng; Su, Yongliang; Humeidi, Ahmad; Arman, Hadi; Xu, Xinfang; Doyle, Michael P.","Catalyst-Directed Divergent Catalytic Approaches to Expand Structural and Functional Scaffold Diversity via Metallo-Enolcarbene Intermediates","ACS Catalysis","2021","11","8","4712","4721","10.1021/acscatal.1c01051","","x-ray","1.54184","CuKα","","0.0329","0.0311","","","0.078","0.0797","","","","","","0.972","","","","has coordinates","264793","2021-05-03","19:25:39",""
"4518677","11.3628","0.0001","14.9417","0.0001","32.8659","0.0003","90","","90","","90","","5579.96","0.08","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Br N O4 Si -","- C26 H38 Br N O4 Si -","- C208 H304 Br8 N8 O32 Si8 -","8","2","","Dong, Kuiyong; Zheng, Haifeng; Su, Yongliang; Humeidi, Ahmad; Arman, Hadi; Xu, Xinfang; Doyle, Michael P.","Catalyst-Directed Divergent Catalytic Approaches to Expand Structural and Functional Scaffold Diversity via Metallo-Enolcarbene Intermediates","ACS Catalysis","2021","11","8","4712","4721","10.1021/acscatal.1c01051","","x-ray","1.54184","CuKα","","0.0297","0.0285","","","0.0717","0.0726","","","","","","1.007","","","","has coordinates","264794","2021-05-03","19:26:06",""
"4518679","6.4598","0.0002","13.9948","0.0003","21.6147","0.0005","90","","90","","90","","1954.05","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Cl N -","- C22 H24 Cl N -","- C88 H96 Cl4 N4 -","4","1","","Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola","Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst","ACS Catalysis","2021","11","8","4862","4869","10.1021/acscatal.0c05540","","","1.54178","CuKα","","0.0352","0.0336","","","0.0873","0.0886","","","","","","1.06","","","","has coordinates","264796","2021-05-03","19:26:53",""
"4518688","5.9557","0.0009","10.9058","0.0017","24.74","0.004","90","","90","","90","","1606.9","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2S,4aS,7aR)-2-(3-bromophenyl)-4,4,7,7- tetramethylhexahydrocyclopenta[d][1,3]dioxine","","","- C17 H23 Br O2 -","- C17 H23 Br O2 -","- C68 H92 Br4 O8 -","4","1","","Ishihara, Hideyuki; Huang, Jianhao; Mochizuki, Takuya; Hatano, Manabu; Ishihara, Kazuaki","Enantio- and Diastereoselective Carbonyl-Ene Cyclization‒Acetalization Tandem Reaction Catalyzed by Tris(pentafluorophenyl)borane-Assisted Chiral Phosphoric Acids","ACS Catalysis","2021","11","10","6121","6127","10.1021/acscatal.1c01242","","","0.71075","MoKα","","0.0372","0.0305","","","0.0637","0.0646","","","","","","0.954","","","","has coordinates","265748","2021-06-04","00:57:49",""
"4518697","9.14307","0.00019","11.5592","0.0003","19.6135","0.0004","90","","90","","90","","2072.88","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 F3 N3 O4 -","- C20 H22 F3 N3 O4 -","- C80 H88 F12 N12 O16 -","4","1","","Guo, Fangfang; Chen, Jiean; Huang, Yong","A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions","ACS Catalysis","2021","11","10","6316","6324","10.1021/acscatal.1c01908","","x-ray","1.54184","CuKα","","0.0312","0.0295","","","0.071","0.0723","","","","","","1.047","","","","has coordinates","265747","2021-06-04","00:57:43",""
"4518710","6.7593","0.0003","11.1929","0.0004","20.8815","0.0009","90","","90","","90","","1579.81","0.11","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O S -","- C17 H21 N O S -","- C68 H84 N4 O4 S4 -","4","1","","Simm, Peter E.; Sekar, Prakash; Richardson, Jeffery; Davies, Paul W.","Gold(I)-Catalyzed Synthesis of 3-Sulfenyl Pyrroles and Indoles by a Regioselective Annulation of Alkynyl Thioethers","ACS Catalysis","2021","","","6357","6362","10.1021/acscatal.1c01457","","x-ray","1.54184","CuKα","","0.0474","0.0401","","","0.0915","0.0973","","","","","","1.051","","","","has coordinates","265184","2021-05-13","21:29:21",""
"4518722","5.9037","0.0002","12.98","0.0004","17.9041","0.0006","90","","90","","90","","1371.99","0.08","299.4","0.3","299.4","0.3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 S2 -","- C14 H14 O2 S2 -","- C56 H56 O8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0292","0.0281","","","0.0744","0.0757","","","","","","1.037","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518723","5.7416","0.0003","13.0516","0.001","14.497","0.0008","90","","90","","90","","1086.36","0.12","100","0.2","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 F2 S2 -","- C12 H8 F2 S2 -","- C48 H32 F8 S8 -","4","1","","Sobczak, Szymon; Ratajczyk, Paulina; Katrusiak, Andrzej","Squeezing Out the Catalysts: A Sustainable Approach to Disulfide Bond Exchange in Aryl Disulfides","ACS Sustainable Chemistry & Engineering","2021","9","20","7171","7178","10.1021/acssuschemeng.1c02240","","x-ray","1.54184","CuKα","","0.0779","0.0609","","","0.1362","0.1578","","","","","","1.193","","","","has coordinates","265752","2021-06-04","00:58:59",""
"4518754","17.354","0.004","17.817","0.004","24.358","0.005","90","","90","","90","","7531","3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H78 F18 Fe2 N6 O13 -","- C72 H78 F18 Fe2 N6 O13 -","- C288 H312 F72 Fe8 N24 O52 -","4","1","","Wang, Yuefei; Li, Qing; Zhang, Jiaxing; Qi, Wei; You, Shengping; Su, Rongxin; He, Zhimin","Self-Templated, Enantioselective Assembly of an Amyloid-like Dipeptide into Multifunctional Hierarchical Helical Arrays","ACS Nano","2021","","","","","10.1021/acsnano.1c00746","","","0.71073","MoKα","","0.0841","0.0725","","","0.1706","0.179","","","","","","1.095","","","","has coordinates","265594","2021-05-28","22:06:53",""
"4518755","17.318","0.004","17.786","0.004","24.349","0.005","90","","90","","90","","7500","3","113","2","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H78 F18 Fe2 N6 O13 -","- C72 H78 F18 Fe2 N6 O13 -","- C288 H312 F72 Fe8 N24 O52 -","4","1","","Wang, Yuefei; Li, Qing; Zhang, Jiaxing; Qi, Wei; You, Shengping; Su, Rongxin; He, Zhimin","Self-Templated, Enantioselective Assembly of an Amyloid-like Dipeptide into Multifunctional Hierarchical Helical Arrays","ACS Nano","2021","","","","","10.1021/acsnano.1c00746","","","0.71073","MoKα","","0.0808","0.0657","","","0.1598","0.1707","","","","","","1.071","","","","has coordinates","265595","2021-05-28","22:07:15",""
"4518789","8.2846","0.0005","11.5452","0.0007","17.4901","0.001","90","","90","","90","","1672.88","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cl N O2 -","- C20 H18 Cl N O2 -","- C80 H72 Cl4 N4 O8 -","4","1","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","1.54178","CuKα","","0.0223","0.0216","","","0.053","0.0535","","","","","","1.057","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518820","6.5335","0.0004","9.7082","0.0006","21.2586","0.0013","90","","90","","90","","1348.4","0.14","240","2","240","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0302","0.0299","","","0.0755","0.0761","","","","","","1.053","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518821","5.5908","0.0006","12.4361","0.0012","16.2473","0.0015","90","","90","","90","","1129.64","0.19","237","2","237","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0304","0.0295","","","0.072","0.0726","","","","","","1.054","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518823","5.5111","0.0002","13.0823","0.0004","19.6436","0.0006","90","","90","","90","","1416.26","0.08","155","2","155","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0298","0.0292","","","0.0777","0.0782","","","","","","1.065","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518824","6.5561","0.0007","10.1014","0.0013","22.992","0.002","90","","90","","90","","1522.7","0.3","267","2","267","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0482","0.0433","","","0.1126","0.1179","","","","","","1.044","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518827","13.1249","0.001","18.8575","0.0014","20.0527","0.0015","90","","90","","90","","4963.1","0.6","153","2","153.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br Mn N3 O3 -","- C21 H19 Br Mn N3 O3 -","- C168 H152 Br8 Mn8 N24 O24 -","8","2","","Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei","Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2021","11","13","8033","8041","10.1021/acscatal.1c00616","","","0.71073","MoKα","","0.0458","0.0389","","","0.0938","0.0964","","","","","","1.098","","","","has coordinates","266956","2021-07-04","01:32:00",""
"4518829","10.9084","0.0001","11.7353","0.0002","16.7685","0.0002","90","","90","","90","","2146.59","0.05","297","","297","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl N4 O2 -","- C22 H29 Cl N4 O2 -","- C88 H116 Cl4 N16 O8 -","4","1","","Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights","ACS Catalysis","2021","11","13","8183","8196","10.1021/acscatal.1c01438","","x-ray","1.54184","CuKα","","0.0388","0.0376","","","0.1045","0.1055","","","","","","1.051","","","","has coordinates,has disorder","266958","2021-07-04","01:33:09",""
"4518831","14.6667","0.0002","15.3682","0.0002","23.1466","0.0003","90","","90","","90","","5217.26","0.12","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H65 Cl3 N8 O5 -","- C55 H65 Cl3 N8 O5 -","- C220 H260 Cl12 N32 O20 -","4","1","","Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights","ACS Catalysis","2021","11","13","8183","8196","10.1021/acscatal.1c01438","","x-ray","1.54184","CuKα","","0.0519","0.0503","","","0.1373","0.1391","","","","","","1.037","","","","has coordinates","266958","2021-07-04","01:33:10",""
"4518835","9.386","0.0005","10.6137","0.0008","18.3018","0.001","90","","90","","90","","1823.2","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl N2 O -","- C20 H27 Cl N2 O -","- C80 H108 Cl4 N8 O4 -","4","1","","González, Bruno; Fagúndez, Catherine; Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Sellanes, Diver; Seoane, Gustavo A.; Carrera, Ignacio","Efficient Access to the Iboga Skeleton: Optimized Procedure to Obtain Voacangine from Voacanga africana Root Bark","ACS Omega","2021","","","","","10.1021/acsomega.1c00745","","x-ray","1.54178","CuKα","","0.0632","0.0604","","","0.1459","0.1482","","","","","","1.085","","","","has coordinates,has disorder","266690","2021-06-25","21:36:35",""
"4518895","8.08181","0.00013","10.73068","0.00014","24.3476","0.0004","90","","90","","90","","2111.5","0.06","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O6 -","- C24 H36 O6 -","- C96 H144 O24 -","4","1","","Chen, Sijia; Zhang, Zhongchao; Jiang, Chongguo; Zhao, Chunbo; Luo, Haojie; Huang, Jun; Yang, Zhen","Stereoselective Synthesis of trans-Decalin-Based Spirocarbocycles via Photocyclization of 1,2-Diketones","ACS Omega","2021","","","","","10.1021/acsomega.1c02054","","x-ray","1.54184","CuKα","","0.0283","0.0281","","","0.0731","0.0734","","","","","","1.055","","","","has coordinates","267535","2021-07-14","21:42:28",""
"4518897","10.9971","0.0002","12.8967","0.0003","23.2972","0.0005","90","","90","","90","","3304.16","0.12","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 N4 O9 -","- C36 H38 N4 O9 -","- C144 H152 N16 O36 -","4","1","","Yasui, Takeshi; Tatsumi, Rine; Yamamoto, Yoshihiko","Highly Enantioselective [2+2+2] Cycloaddition of Enediynes Enabled by Cobalt/Organophotoredox Cooperative Catalysis","ACS Catalysis","2021","","","9479","9484","10.1021/acscatal.1c02410","","","1.54187","CuKα","","0.0439","0.0411","","","0.1126","0.1145","","","","","","1.034","","","","has coordinates","267563","2021-07-15","21:30:48",""
"4518904","5.2854","0.0014","12.56","0.003","14.308","0.004","90","","90","","90","","949.8","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H4 F3 N7 O3 -","- C5 H4 F3 N7 O3 -","- C20 H16 F12 N28 O12 -","4","1","","Yan, Zhengfeng; Lu, Tingting; Liu, Yajing; Liu, Weixiao; Zhao, Baodong; Wang, Yinglei; Ge, Zhongxue","High Thermal Stability and Insensitive Fused Triazole-Triazine Trifluoromethyl-Containing Explosives (TFX)","ACS Omega","2021","","","","","10.1021/acsomega.1c01018","","","1.34139","GaKα","","0.0741","0.0713","","","0.2058","0.2129","","","","","","1.105","","","","has coordinates","267629","2021-07-18","21:37:28",""
"4518921","9.436","0.004","9.724","0.003","22.389","0.009","90","","90","","90","","2054.3","1.4","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","1","","Song, Yulong; Fu, Chunling; Ma, Shengming","Copper-Catalyzed Syntheses of Multiple Functionalizatized Allenes via Three-Component Reaction of Enynes","ACS Catalysis","2021","","","10007","10013","10.1021/acscatal.1c02140","","","0.71073","MoKα","","0.0308","0.0283","","","0.0696","0.0714","","","","","","1.03","","","","has coordinates","267765","2021-07-27","21:32:26",""
"4518924","25.0296","0.0003","21.4254","0.0003","8.35199","0.00014","90","","90","","90","","4478.91","0.11","295","0.4","295","0.4","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C224 H200 N8 O24 -","8","2","","Huang, Qian-Wei; Qi, Ting; Liu, Yue; Zhang, Xiang; Li, Qing-Zhu; Gou, Chuan; Tao, Ying-Mao; Leng, Hai-Jun; Li, Jun-Long","Lewis Acid/Brønsted Base-Assisted Palladium Catalysis: Stereoselective Construction of Skeletally Diverse Spiro-Ketolactams from Vinylethylene Carbonates","ACS Catalysis","2021","","","10148","10158","10.1021/acscatal.1c01724","","x-ray","1.54184","CuKα","","0.0556","0.0507","","","0.1324","0.139","","","","","","1.038","","","","has coordinates,has disorder","267868","2021-07-31","21:29:54",""
"4518934","10.5492","0.0004","10.6045","0.0005","15.0677","0.0008","90","","90","","90","","1685.61","0.14","295","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl F3 N O -","- C19 H15 Cl F3 N O -","- C76 H60 Cl4 F12 N4 O4 -","4","1","","Xu, Lei; Zhong, Sishi; Yang, Qian; Wei, Jie; Zou, Jiaming; Li, Hongxiang; Cai, Yunfei","Catalytic Asymmetric Radical-Mediated Three-Component Piancatelli-Type Rearrangement of Furylalkenes","ACS Catalysis","2021","11","16","10198","10207","10.1021/acscatal.1c03119","","x-ray","0.71073","MoKα","","0.0813","0.0525","","","0.1086","0.129","","","","","","1.024","","","","has coordinates","268478","2021-09-04","02:57:00",""
"4518943","6.653","0.0004","6.9677","0.0004","27.9699","0.0013","90","","90","","90","","1296.58","0.12","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O5 S -","- C13 H15 N O5 S -","- C52 H60 N4 O20 S4 -","4","1","","Xia, Liwen; Fan, Wenjing; Yuan, Xiang-Ai; Yu, Shouyun","Photoredox-Catalyzed Stereoselective Synthesis of C-Nucleoside Analogues from Glycosyl Bromides and Heteroarenes","ACS Catalysis","2021","","","9397","9406","10.1021/acscatal.1c02088","","","0.71073","MoKα","","0.0356","0.03","","","0.0674","0.0721","","","","","","1.055","","","","has coordinates","267917","2021-08-03","19:38:25",""
"4518945","5.067","0.0002","18.8912","0.0009","20.6194","0.001","90","","90","","90","","1973.72","0.16","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O -","- C23 H31 N O -","- C92 H124 N4 O4 -","4","1","","Zhou, Fang; Zhu, Shaolin","Catalytic Asymmetric Hydroalkylation of α,β-Unsaturated Amides Enabled by Regio-Reversed and Enantiodifferentiating syn-Hydronickellation","ACS Catalysis","2021","11","14","8766","8773","10.1021/acscatal.1c02299","","","0.71073","MoKα","","0.0548","0.047","","","0.1123","0.1186","","","","","","1.022","","","","has coordinates","267919","2021-08-03","19:40:15",""
"4518963","4.4456","0.0013","6.653","0.004","21.01","0.0009","90","","90","","90","","621.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O2 -","- C7 H5 N O2 -","- C28 H20 N4 O8 -","4","1","","Hasani, Morteza; Kalhor, Hamid R.","Enzyme-Inspired Lysine-Modified Carbon Quantum Dots Performing Carbonylation Using Urea and a Cascade Reaction for Synthesizing 2-Benzoxazolinone","ACS Catalysis","2021","","","10778","10788","10.1021/acscatal.1c01276","","","0.71073","MoKα","","0.0428","0.0413","","","0.1002","0.1012","","","","","","1.181","","","","has coordinates","268395","2021-09-03","19:31:21",""
"4518965","11.9513","0.0009","16.5866","0.0013","30.088","0.002","90","","90","","90","","5964.4","0.8","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H60 Cl4 N7 O2 Rh -","- C64.004 H60.008 Cl4.008 N7 O2 Rh -","- C256.016 H240.032 Cl16.032 N28 O8 Rh4 -","4","1","","Grell, Yvonne; Xie, Xiulan; Ivlev, Sergei I.; Meggers, Eric","Enantioselective α-Fluorination and α-Chlorination of N-Acyl Pyrazoles Catalyzed by a Non-C2-Symmetric Chiral-at-Rhodium Catalyst","ACS Catalysis","2021","","","11396","11406","10.1021/acscatal.1c02901","","","0.71073","MoKα","","0.0362","0.0307","","","0.0639","0.0655","","","","","","1.074","","","","has coordinates,has disorder","268397","2021-09-03","19:32:16",""
"4518968","11.017","0.005","14.127","0.004","16.002","0.006","90","","90","","90","","2490.5","1.6","100","2","100.02","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O2 Pd S2 -","- C24 H32 N2 O2 Pd S2 -","- C96 H128 N8 O8 Pd4 S8 -","4","1","","Hao, Wei; Bay, Katherine L.; Harris, Caleb F.; King, Daniel S.; Guzei, Ilia A.; Aristov, Michael M.; Zhuang, Zhe; Plata, R. Erik; Hill, David E.; Houk, K. N.; Berry, John F.; Yu, Jin-Quan; Blackmond, Donna G.","Probing Catalyst Speciation in Pd-MPAAM-Catalyzed Enantioselective C(sp3)‒H Arylation: Catalyst Improvement via Destabilization of Off-Cycle Species","ACS Catalysis","2021","","","11040","11048","10.1021/acscatal.1c02805","","x-ray","0.71073","MoKα","","0.0293","0.0252","","","0.0501","0.0513","","","","","","1.018","","","","has coordinates,has disorder","268400","2021-09-03","19:33:22",""
"4518971","8.5446","0.0003","10.3457","0.0003","22.8129","0.0006","90","","90","","90","","2016.66","0.11","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O Si2 -","- C21 H28 O Si2 -","- C84 H112 O4 Si8 -","4","1","","Zhang, Hongpeng; Zhao, Dongbing","Synthesis of Silicon-Stereogenic Silanols Involving Iridium-Catalyzed Enantioselective C‒H Silylation Leading to a New Ligand Scaffold","ACS Catalysis","2021","","","10748","10753","10.1021/acscatal.1c03112","","x-ray","0.71073","MoKα","","0.041","0.036","","","0.0857","0.0894","","","","","","1.047","","","","has coordinates","268403","2021-09-03","19:34:38",""
"4518982","12.1759","0.0003","13.3287","0.0003","25.6006","0.0006","90","","90","","90","","4154.69","0.17","99.99","0.1","99.99","0.1","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 Cl2 F3 Mn N2 O5 P2 S -","- C36 H53 Cl2 F3 Mn N2 O5 P2 S -","- C144 H212 Cl8 F12 Mn4 N8 O20 P8 S4 -","4","1","","Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation","ACS Catalysis","2021","11","16","10239","10245","10.1021/acscatal.1c01748","","x-ray","0.71073","MoKα","","0.0536","0.0465","","","0.1097","0.1135","","","","","","1.052","","","","has coordinates,has disorder","268414","2021-09-03","19:40:02",""
"4519012","14.385","0.003","20.809","0.005","23.264","0.005","90","","90","","90","","6964","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 F6 Fe2 N O4 S2 -","- C32 H38 F6 Fe2 N O4 S2 -","- C256 H304 F48 Fe16 N8 O32 S16 -","8","2","","Kimata, Hironori; Inagaki, Takashi; Mochida, Tomoyuki","Anion-Ordering Phase Transitions in Biferrocenium and Ferrocenium Salts with the Bis(trifluoromethanesulfonyl)amide Anion.","ACS omega","2021","6","32","21139","21146","10.1021/acsomega.1c03059","","","0.71073","MoKα","","0.0573","0.0503","","","0.1251","0.1308","","","","","","1.052","","","","has coordinates","268437","2021-09-03","20:26:42",""
"4519046","11.1392","0.0011","16.7428","0.0017","17.1634","0.0018","90","","90","","90","","3201","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 B N -","- C42 H40 B N -","- C168 H160 B4 N4 -","4","1","","Lee, Young Hoon; Lee, Woochan; Lee, Taehwan; Lee, Donggyun; Jung, Jaehoon; Yoo, Seunghyup; Lee, Min Hyung","Blue TADF Emitters Based on <i>B</i>-Heterotriangulene Acceptors for Highly Efficient OLEDs with Reduced Efficiency Roll-Off.","ACS applied materials & interfaces","2021","13","38","45778","45788","10.1021/acsami.1c10653","","","0.71073","MoKα","","0.0457","0.0413","","","0.1075","0.1109","","","","","","1.032","","","","has coordinates","269473","2021-10-03","19:12:34",""
"4519058","7.2101","0.0001","12.4785","0.0002","26.7627","0.0005","90","","90","","90","","2407.87","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C104 H116 N4 O20 -","4","1","","Yang, Wu-Lin; Wang, Yuan-Lin; Li, Wen; Gu, Bu-Ming; Wang, Si-Wen; Luo, Xiaoyan; Tian, Bo-Xue; Deng, Wei-Ping","Diastereo- and Enantioselective Synthesis of Eight-Membered Heterocycles via an Allylation/Ring Expansion Sequence Enabled by Multiple Catalysis","ACS Catalysis","2021","","","12557","12564","10.1021/acscatal.1c03711","","","1.54178","CuKα","","0.0429","0.0389","","","0.1058","0.1109","","","","","","1.022","","","","has coordinates","269480","2021-10-03","19:49:57",""
"4519060","8.1288","0.0002","13.7875","0.0004","16.7891","0.0006","90","","90","","90","","1881.65","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N O3 -","- C20 H18 Br N O3 -","- C80 H72 Br4 N4 O12 -","4","1","","Xia, Jin-Tao; Li, Ling; Hu, Xiang-Ping","Copper-Catalyzed Decarboxylative Propargylic Alkylation of Enol Carbonates: Stereoselective Synthesis of Quaternary α-Amino Acids","ACS Catalysis","2021","11","19","11843","11848","10.1021/acscatal.1c03421","","","0.71073","MoKα","","0.0498","0.0389","","","0.0948","0.1013","","","","","","1.028","","","","has coordinates","269482","2021-10-03","19:50:53",""
"4519064","10.41118","0.00008","17.39267","0.00012","36.5868","0.0002","90","","90","","90","","6625.07","0.08","140","0.1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H71 Cl3 Co2 I4 O4 -","- C73 H71 Cl3 Co2 I4 O4 -","- C292 H284 Cl12 Co8 I16 O16 -","4","1","","Herraiz, Ana G.; Cramer, Nicolai","Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization","ACS Catalysis","2021","11","19","11938","11944","10.1021/acscatal.1c03153","","x-ray","1.54184","CuKα","","0.0465","0.0457","","","0.1226","0.1232","","","","","","1.087","","","","has coordinates","269486","2021-10-03","19:52:41",""
"4519070","10.5571","0.0002","12.9667","0.0004","21.3679","0.0006","90","","90","","90","","2925.07","0.13","250","2","250","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","VL_909_aftercol_250K","","","- C31 H31 N O6.5 S -","- C31 H31 N O6.5 S -","- C124 H124 N4 O26 S4 -","4","1","","Laina-Martín, Víctor; Humbrías-Martín, Jorge; Mas-Ballesté, Rubén; Fernández-Salas, Jose A.; Alemán, José","Enantioselective Inverse-Electron Demand Aza-Diels–Alder Reaction: ipso,α-Selectivity of Silyl Dienol Ethers","ACS Catalysis","2021","11","19","12133","12145","10.1021/acscatal.1c03390","","","0.71073","MoKα","","0.0567","0.0483","","","0.1353","0.1444","","","","","","0.999","","","","has coordinates,has disorder","269492","2021-10-03","19:55:08",""
"4519094","7.4626","0.0002","8.0078","0.0002","21.165","0.0006","90","","90","","90","","1264.8","0.06","120.04","","120.04","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","C14H12NO2P","","- C14 H12 N O2 P -","- C14 H12 N O2 P -","- C56 H48 N4 O8 P4 -","4","1","","Song, Shu-Yong; Li, Yinwu; Ke, Zhuofeng; Xu, Senmiao","Iridium-Catalyzed Enantioselective C–H Borylation of Diarylphosphinates","ACS Catalysis","2021","","","13445","13451","10.1021/acscatal.1c03888","","","1.54178","CuKα","","0.0375","0.0371","","","0.0975","0.098","","","","","","1.039","","","","has coordinates","270233","2021-11-03","20:26:57",""
"4519162","10.772","0.0004","13.7803","0.0006","13.8713","0.0006","90","","90","","90","","2059.08","0.15","292.08","0.18","292.08","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 O3 P -","- C25 H21 O3 P -","- C100 H84 O12 P4 -","4","1","","Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli","Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition","ACS Catalysis","2021","11","22","14168","14180","10.1021/acscatal.1c03149","","x-ray","1.54184","CuKα","","0.063","0.0608","","","0.1528","0.1572","","","","","","1.051","","","","has coordinates","271028","2021-12-03","20:46:15",""
"4519163","11.8935","0.0012","13.9039","0.0016","21.127","0.003","90","","90","","90","","3493.7","0.7","150","2","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 Cl3 N O4 P S -","- C33 H37 Cl3 N O4 P S -","- C132 H148 Cl12 N4 O16 P4 S4 -","4","1","","Fang, Siqiang; Liu, Zanjiao; Zhang, Hongkui; Pan, Jianke; Chen, Yuan; Ren, Xiaoyu; Wang, Tianli","Access to S-Stereogenic Free Sulfoximines via Bifunctional Phosphonium Salt-Catalyzed Desymmetrization of Bisphenols","ACS Catalysis","2021","11","22","13902","13912","10.1021/acscatal.1c03966","","","0.71073","MoKα","","0.124","0.0739","","","0.1704","0.2019","","","","","","1.048","","","","has coordinates","271029","2021-12-03","20:46:44",""
"4519166","6.4329","0.0001","12.0639","0.0002","35.625","0.0005","90","","90","","90","","2764.71","0.07","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 N2 -","- C31 H50 N2 -","- C124 H200 N8 -","4","1","","Long, Jinguo; Xia, Shaomiao; Wang, Ting; Cheng, Gui-Juan; Fang, Xianjie","Nickel-Catalyzed Regiodivergent Cyanation of Allylic Alcohols: Scope, Mechanism, and Application to the Synthesis of 1,n-Dinitriles","ACS Catalysis","2021","11","22","13880","13890","10.1021/acscatal.1c03729","","","1.54178","CuKα","","0.0344","0.0321","","","0.082","0.0844","","","","","","1.023","","","","has coordinates","271032","2021-12-03","20:47:49",""
"4519182","8.219","0.0011","10.4446","0.0011","35.069","0.004","90","","90","","90","","3010.5","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 2-(3-benzoylthioureido)benzoate","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","2","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Akbar; Bogdanov, Georgii; Alarfaji, Saleh S.","Single-Crystal Investigation, Hirshfeld Surface Analysis, and DFT Study of Third-Order NLO Properties of Unsymmetrical Acyl Thiourea Derivatives.","ACS omega","2021","6","46","31211","31225","10.1021/acsomega.1c04884","","","0.71073","MoKα","","0.1138","0.0545","","","0.1101","0.1358","","","","","","0.991","","","","has coordinates,has disorder","271048","2021-12-03","21:37:05",""
"4519218","8.8079","0.0002","10.0724","0.0003","15.1907","0.0004","90","","90","","90","","1347.67","0.06","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","sfjyd","","- C15 H13 N O2 S -","- C15 H13 N O2 S -","- C60 H52 N4 O8 S4 -","4","1","","Liu, Wansheng; Yang, Yi; Yang, Xiaojie; Peng, Yun-Lei; Cheng, Peng; Zhang, Zhenjie; Chen, Yao","Template-Directed Fabrication of Highly Efficient Metal-Organic Framework Photocatalysts.","ACS applied materials & interfaces","2021","13","49","58619","58629","10.1021/acsami.1c17925","","x-ray","0.71073","MoKα","","0.0845","0.0771","","","0.2101","0.2223","","","","","","1.053","","","","has coordinates","271714","2022-01-03","20:21:14",""
"4519229","8.3799","0.0005","15.5214","0.0011","26.1574","0.0015","90","","90","","90","","3402.2","0.4","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H37 O P -","- C44 H37 O P -","- C176 H148 O4 P4 -","4","1","","Zhang, Chao-Wei; Hu, Xian-Qi; Dai, Yuan-Hao; Yin, Peng; Wang, Chuanyong; Duan, Wei-Liang","Asymmetric C–H Activation for the Synthesis of P- and Axially Chiral Biaryl Phosphine Oxides by an Achiral Cp*Ir Catalyst with Chiral Carboxylic Amide","ACS Catalysis","2021","","","193","199","10.1021/acscatal.1c05080","","","0.71073","MoKα","","0.1471","0.0579","","","0.1005","0.1296","","","","","","1.008","","","","has coordinates","271725","2022-01-03","20:52:18",""
"4519233","11.666","0.004","13.404","0.005","14.893","0.006","90","","90","","90","","2328.8","1.5","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 O -","- C31 H30 O -","- C124 H120 O4 -","4","1","","Tanpure, Sudhakar Dattatray; Kuo, Tung-Chun; Cheng, Mu-Jeng; Liu, Rai-Shung","Gold(I)-Catalyzed Highly Diastereo- and Enantioselective Constructions of Bicyclo[3.2.1]oct-6-ene Frameworks via (4 + 3)-Cycloadditions","ACS Catalysis","2021","","","536","543","10.1021/acscatal.1c04483","","","0.71073","MoKα","","0.0614","0.0442","","","0.1","0.1083","","","","","","1.052","","","","has coordinates","271729","2022-01-03","20:54:12",""
"4519243","8.81977","0.00006","11.79139","0.00007","14.962","0.00009","90","","90","","90","","1556.01","0.017","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Han, Xiao-Qing; Wang, Lei; Yang, Ping; Liu, Jing-Yuan; Xu, Wei-Yan; Zheng, Chao; Liang, Ren-Xiao; You, Shu-Li; Zhang, Junliang; Jia, Yi-Xia","Enantioselective Dearomative Mizoroki–Heck Reaction of Naphthalenes","ACS Catalysis","2021","","","655","661","10.1021/acscatal.1c05008","","x-ray","1.54184","CuKα","","0.0243","0.0241","","","0.0618","0.0619","","","","","","1.054","","","","has coordinates","271739","2022-01-03","20:58:54",""
"4519249","8.1567","0.0014","10.4245","0.0019","35.595","0.006","90","","90","","90","","3026.6","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 F12 Fe N8 P2 -","- C26 H26 F12 Fe N8 P2 -","- C104 H104 F48 Fe4 N32 P8 -","4","1","","Gonell, Sergio; Assaf, Eric A.; Lloret-Fillol, Julio; Miller, Alexander J. M.","An Iron Bis(carbene) Catalyst for Low Overpotential CO2 Electroreduction to CO: Mechanistic Insights from Kinetic Zone Diagrams, Spectroscopy, and Theory","ACS Catalysis","2021","11","24","15212","15222","10.1021/acscatal.1c04414","","","0.71073","MoKα","","0.0828","0.0762","","","0.1746","0.1771","","","","","","1.209","","","","has coordinates,has disorder","271744","2022-01-03","21:01:18",""
"4519272","7.4151","0.0004","10.4713","0.0005","32.5598","0.0016","90","","90","","90","","2528.1","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H49 N O3 -","- C27 H49 N O3 -","- C108 H196 N4 O12 -","4","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Gelation and Crystallization by Using Salts of Lithocholic Acid","Crystal Growth & Design","2021","22","1","643","652","10.1021/acs.cgd.1c01182","","x-ray","1.34139","GaKα","","0.0509","0.0449","","","0.1192","0.1233","","","","","","1.083","","","","has coordinates,has Fobs","272076","2022-01-16","15:33:07",""
"4519289","11.6087","0.0002","12.4217","0.0002","22.4749","0.0004","90","","90","","90","","3240.88","0.1","120","2","120.02","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 B2 F3 Fe N O6 -","- C32 H40 B2 F3 Fe N O6 -","- C128 H160 B8 F12 Fe4 N4 O24 -","4","1","","Zou, Xiaoliang; Li, Yinwu; Ke, Zhuofeng; Xu, Senmiao","Chiral Bidentate Boryl Ligand-Enabled Iridium-Catalyzed Enantioselective Dual C–H Borylation of Ferrocenes: Reaction Development and Mechanistic Insights","ACS Catalysis","2022","","","1830","1840","10.1021/acscatal.1c05299","","","1.54178","CuKα","","0.0476","0.0464","","","0.1128","0.1135","","","","","","1.035","","","","has coordinates","272459","2022-02-03","20:37:23",""
"4519292","5.3884","0.0001","14.8582","0.0003","23.6108","0.0005","90","","90","","90","","1890.33","0.07","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C80 H84 N4 O16 S4 -","4","1","","Liu, Yun; Chen, Yushuang; Yihuo, Aying; Zhou, Yuqiao; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Diastereodivergent Synthesis of Chiral α-Aminoketones via a Catalytic O–H Insertion/Barnes–Claisen Rearrangement Reaction","ACS Catalysis","2022","","","1784","1790","10.1021/acscatal.1c05789","","","1.54178","CuKα","","0.0559","0.0473","","","0.114","0.1265","","","","","","1.071","","","","has coordinates","272462","2022-02-03","20:38:28",""
"4519293","4.6204","0.0001","7.0144","0.0001","36.1467","0.0005","90","","90","","90","","1171.49","0.03","294.15","","294.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Gu, Xue-Song; Xiong, Ying; Yang, Fan; Yu, Na; Yan, Pu-Cha; Xie, Jian-Hua; Zhou, Qi-Lin","Enantioselective Hydrogenation toward Chiral 3-Aryloxy Tetrahydrofurans Enabled by Spiro Ir-PNN Catalysts Containing an Unusual 5-Substituted Chiral Oxazoline Unit","ACS Catalysis","2022","","","2206","2211","10.1021/acscatal.1c05746","","x-ray","1.54184","CuKα","","0.0325","0.0318","","","0.096","0.0966","","","","","","1.031","","","","has coordinates","272463","2022-02-03","20:38:50",""
"4519298","13.07","0.002","14.339","0.003","21.988","0.004","90","","90","","90","","4120.8","1.3","123","","123.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 B2 Cl3 Cu F8 N4 O2 -","- C40 H40 B2 Cl3 Cu F8 N4 O2 -","- C160 H160 B8 Cl12 Cu4 F32 N16 O8 -","4","1","","Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki","A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles","ACS Catalysis","2022","12","2","1012","1017","10.1021/acscatal.1c05500","","","0.71075","MoKα","","0.0822","0.0659","","","0.1912","0.2042","","","","","","1.009","","","","has coordinates","272468","2022-02-03","20:41:56",""
"4519299","14.6616","0.0011","15.7092","0.0013","19.6198","0.0016","90","","90","","90","","4518.9","0.6","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Cu F6 N4 O10 S2 -","- C41 H48 Cu F6 N4 O10 S2 -","- C164 H192 Cu4 F24 N16 O40 S8 -","4","1","","Nishimura, Kazuki; Wang, Yanzhao; Ogura, Yoshihiro; Kumagai, Jun; Ishihara, Kazuaki","A π–Cu(II)−π Complex as an Extremely Active Catalyst for Enantioselective α-Halogenation of N-Acyl-3,5-dimethylpyrazoles","ACS Catalysis","2022","12","2","1012","1017","10.1021/acscatal.1c05500","","","0.71075","MoKα","","0.0443","0.0411","","","0.1084","0.1099","","","","","","1.033","","","","has coordinates","272469","2022-02-03","20:42:19",""
"4519307","6.36481","0.00013","17.9645","0.0004","18.8399","0.0004","90","","90","","90","","2154.17","0.08","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N5 O4 -","- C23 H25 N5 O4 -","- C92 H100 N20 O16 -","4","1","","Zhao, Xin; Yang, Fang; Zou, Shao-Yu; Zhou, Qian-Qian; Chen, Zi-Sheng; Ji, Kegong","Cu-Catalyzed Intermolecular γ-Site C–H Amination of Cyclohexenone Derivatives: The Benefit of Bifunctional Ligands","ACS Catalysis","2022","","","1732","1741","10.1021/acscatal.1c05439","","x-ray","1.54184","CuKα","","0.04","0.038","","","0.1006","0.1024","","","","","","1.124","","","","has coordinates","272478","2022-02-03","20:45:51",""
"4519327","8.9764","0.0005","10.4533","0.0006","16.0723","0.001","90","","90","","90","","1508.11","0.15","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Peng, Yaqin; Gao, Chenghua; Zhang, Zili; Wu, Shijie; Zhao, Jing; Li, Aitao","A Chemoenzymatic Strategy for the Synthesis of Steroid Drugs Enabled by P450 Monooxygenase-Mediated Steroidal Core Modification","ACS Catalysis","2022","","","2907","2914","10.1021/acscatal.1c05776","","","1.54178","CuKα","","0.0536","0.0313","","","0.0801","0.0856","","","","","","1.074","","","","has coordinates","273237","2022-03-03","20:18:42",""
"4519331","6.37486","0.00013","13.7162","0.0003","15.6002","0.0004","90","","90","","90","","1364.06","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Li, Xuetong; Villar-Yanez, Alba; Ngassam Tounzoua, Charlene; Benet-Buchholz, Jordi; Grignard, Bruno; Bo, Carles; Detrembleur, Christophe; Kleij, Arjan W.","Cascade Transformation of Carbon Dioxide and Alkyne-1,n-diols into Densely Substituted Cyclic Carbonates","ACS Catalysis","2022","","","2854","2860","10.1021/acscatal.1c05773","","","0.71075","MoKα","","0.0316","0.0299","","","0.0758","0.0767","","","","","","1.053","","","","has coordinates","273241","2022-03-03","20:20:26",""
"4519353","6.5137","0.0014","15.684","0.003","17.611","0.004","90","","90","","90","","1799.2","0.7","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 F N2 O5 -","- C15 H23 F N2 O5 -","- C60 H92 F4 N8 O20 -","4","1","","Pons, Amandine; Decaens, Jonathan; Najjar, Riham; Otog, Nansalmaa; Arribat, Mathieu; Jolly, Sandrine; Couve-Bonnaire, Samuel; Sebban, Muriel; Coadou, Gael; Oulyadi, Hassan; Speybrouck, David; Iwasa, Seiji; Charette, André B; Poisson, Thomas; Jubault, Philippe","Fluorocyclopropane-Containing Proline Analogue: Synthesis and Conformation of an Item in the Peptide Chemist's Toolbox.","ACS omega","2022","7","6","4868","4878","10.1021/acsomega.1c05337","","x-ray","0.71073","MoKα","","0.1659","0.0553","","","0.1275","0.1603","","","","","","0.869","","","","has coordinates","273260","2022-03-03","21:12:06",""
"4519386","12.6694","0.0002","18.1472","0.0004","18.894","0.0004","90","","90","","90","","4344","0.15","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H67 Au Cl P -","- C46 H67 Au Cl P -","- C184 H268 Au4 Cl4 P4 -","4","1","","Navarro, Miquel; Alférez, Macarena G.; de Sousa, Morgane; Miranda-Pizarro, Juan; Campos, Jesús","Dicoordinate Au(I)–Ethylene Complexes as Hydroamination Catalysts","ACS Catalysis","2022","12","7","4227","4241","10.1021/acscatal.1c05823","","","0.71073","MoKα","","0.0267","0.0217","","","0.0393","0.0404","","","","","","0.862","","","","has coordinates","274242","2022-04-03","19:23:06",""
"4519417","7.6501","0.0006","12.0632","0.001","13.6914","0.0016","90","","90","","90","","1263.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur","Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation","ACS Omega","2022","7","12","10568","10579","10.1021/acsomega.2c00102","","","0.71073","MoKα","","0.0635","0.0395","","","0.0779","0.0849","","","","","","0.968","","","","has coordinates","274268","2022-04-03","20:17:07",""
"4519418","5.731","0.0002","12.9388","0.0008","18.826","0.001","90","","90","","90","","1395.99","0.12","296","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur","Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation","ACS Omega","2022","7","12","10568","10579","10.1021/acsomega.2c00102","","","0.71073","MoKα","","0.0579","0.0369","","","0.0867","0.0959","","","","","","0.947","","","","has coordinates","274269","2022-04-03","20:17:42",""
"4519432","7.573","0.0003","11.0104","0.0004","36.2681","0.0014","90","","90","","90","","3024.1","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H59 N O6 -","- C30 H59 N O6 -","- C120 H236 N4 O24 -","4","1","","Li, Puzhen; Zhang, Meng; Maris, Thierry; Zhu, X. X.; Wuest, James D.","Probing the Relationship between Crystallization and Gelation by Using Ammonium Salts of Bile Acids","Crystal Growth & Design","2022","22","","3505","3517","10.1021/acs.cgd.2c00310","","x-ray","1.54178","CuKα","","0.0374","0.036","","","0.0953","0.0967","","","","","","1.069","","","","has coordinates,has Fobs","274932","2022-05-05","16:29:28",""
"5000001","6.913","0.005","21.116","0.003","5.829","0.004","90","","90","","90","","850.89","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Mostad, Arvid; Nissen, Hans Martin; Rømming, Christian","Crystal Structure of L-Tyrosine","Acta Chemica Scandinavica","1972","26","","3819","3833","10.3891/acta.chem.scand.26-3819","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000003","5.593","0.005","9.827","0.01","11.808","0.011","90","","90","","90","","649","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 N2 O4 -","- C4 H10 N2 O4 -","- C16 H40 N8 O16 -","4","1","","Verbist, J. J.; Lehmann, M. S.; Koetzle, T. F.; Hamilton, W. C.","Precision neutron diffraction structure determination of protein and nucleic acid components. VI. The crystal and molecular structure of the amino acid L-asparagine monohydrate","Acta Crystallographica Section B","1972","28","10","3006","3013","10.1107/S0567740872007368","","","","","","","","","","","","","","","","","","","","","has coordinates","175294","2020-10-21","18:00:00",""
"5000006","16.02","0.01","7.762","0.006","5.119","0.004","90","","90","","90","","636.53","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Koetzle, T. F.; Frey, M. N.; Lehmann, M. S.; Hamilton, W. C.","Precision neutron diffraction structure determination of protein and nucleic acid components. XIII. Molecular and crystal structure of the amino acid L-glutamine","Acta Crystallographica Section B","1973","29","11","2571","2575","10.1107/S0567740873007028","","","","","","","","","","","","","","","","","","","","","has coordinates","175294","2020-10-21","18:00:00",""
"5000007","5.151","0.006","11.789","0.019","13.347","0.02","90","","90","","90","","810.5","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 Cl N O4 -","- C5 H10 Cl N O4 -","- C20 H40 Cl4 N4 O16 -","4","1","A09243","Sequeira, A.; Rajagopal, H.; Chidambaram, R.","A neutron diffraction study of the structure of L-glutamic acid.HCl","Acta Crystallographica Section B","1972","28","8","2514","2519","10.1107/S0567740872006399","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000010","13.991","","14.786","","5.116","","90","","90","","90","","1058.35","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","A04520","S. Furberg,; C. S. Peterson; C. Rømming","A refinement of the crystal structure of cytidine","Acta Crystallographica","1965","18","","313","320","10.1107/S0365110X65000749","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"5000013","27.763","0.017","7.059","0.004","5.38","0.005","90","","90","","90","","1054.37","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Al-Karaghouli, A. R.; Koetzle, T. F.","Neutron diffraction study of L-phenylalanine hydrochloride","Acta Crystallographica Section B","1975","31","10","2461","2465","10.1107/S0567740875007807","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000014","11.55","","9.02","","5.2","","90","","90","","90","","541.74","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 N O2 -","- C5 H9 N O2 -","- C20 H36 N4 O8 -","4","1","","Kayushina, R. L.; Vainshtein, B. K.","","Kristallografiya","1965","10","","833","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000015","8.599","0.005","9.348","0.003","5.618","0.002","90","","90","","90","","451.59","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O3 -","- C3 H7 N O3 -","- C12 H28 N4 O12 -","4","1","","Kistenmacher, T. J.; Rand, G. A.; Marsh, R. E.","Refinements of the crystal structures of DL-serine and anhydrous L-serine","Acta Crystallographica Section B","1974","30","11","2573","2578","10.1107/S0567740874007618","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000016","13.611","0.02","7.738","0.008","5.142","0.005","90","","90","","90","","541.57","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Shoemaker, David P.; Donohue, Jerry; Schomaker, Verner; Corey, Robert B.","The Crystal Structure of L~s~-Threonine","Journal of the American Chemical Society","1950","72","6","2328","2349","10.1021/ja01162a002","","","","","","","","","","","","","","","","","","","","","has coordinates","187363","2020-10-21","18:00:00",""
"5000021","4.86","0.005","13.91","0.01","16.32","0.01","90","","90","","90","","1103.27","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C40 H56 N8 O20 -","4","1","","Young, D. W.; Tollin, P.; Wilson, H. R.","The crystal and molecular structure of thymidine","Acta Crystallographica Section B","1969","25","8","1423","1432","10.1107/S056774086900416X","","","","","","","","","","","","","","","","","","","","","has coordinates","175309","2020-10-21","18:00:00",""
"5000027","11.267","0.002","11.892","0.011","12.105","0.004","90","","90","","90","","1621.91","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O2 -","- C21 H22 N2 O2 -","- C84 H88 N8 O8 -","4","1","","Glover, S. S. B.; Gould, R. O.; Walkinshaw, M. D.","Structures of strychnine (I), C~21~H~22~N~2~O~2~, and a solvate of brucine (II), C~23~H~26~N~2~O~4~.C~2~H~6O~.2H~2~O","Acta Crystallographica Section C","1985","41","6","990","994","10.1107/S0108270185006308","","","","","","","","","","","","","","","","","","","","","has coordinates","175309","2020-10-21","18:00:00",""
"5000030","15.966","0.006","13.609","0.006","7.952","0.004","90","","90","","90","","1727.82","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","testosterone","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","Precigoux, G.; Hospital, M.; van den Bosche, G.","","Crystal Structure Communications","1973","2","","435","439","","","","","","","","","","","","","","","","","","","","","","has coordinates","175323","2020-10-21","18:00:00",""
"5000032","10.043","0.005","18.424","0.005","7.787","0.005","90","","90","","90","","1440.85","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 -","- C18 H22 O2 -","- C72 H88 O8 -","4","1","","Busetta, B.; Courseille, C.; Hospital, M.","Structure cristallines et moleculaires de trois formes polymorphes de l'oestrone","Acta Crystallographica Section B","1973","29","2","298","313","10.1107/S0567740873002384","","","","","","","","","","","","","","","","","","","","","has coordinates","175323","2020-10-21","18:00:00",""
"5000050","13.926","0.005","21.578","0.005","33.802","0.014","90","","90","","90","","10157.3","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Carboxy-decarboxamido-vancomycin hydrate","","- C66 H76 Cl2 N8 O26 -","- C66 Cl2 N8 O56 -","- C264 Cl8 N32 O224 -","4","1","","Sheldrick, George M.; Jones, Peter G.; Kennard, Olga; Williams, Dudley H.; Smith, Gerald A.","Structure of vancomycin and its complex with acetyl-D-alanyl-D-alanine","Nature (London, United Kingdom)","1978","271","5642","223","","10.1038/271223a0","","","","","","","0.16","","","0.16","","","","","","","","","","","has coordinates","210093","2020-10-21","18:00:00",""
"5000052","7.442","0.002","9.4","0.002","14.644","0.003","90","","90","","90","","1024.42","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-Pseudoconhydrine hydrochloride","(2S,5S)-2-Propyl-5-hydroxypyridinium chloride","","- C8 H18 Cl N O -","- C8 H18 Cl N O -","- C32 H72 Cl4 N4 O4 -","4","1","","M.Dockner; N.A.Sasaki; C.Riche; P.Potier","","Liebigs Ann.Chem.","1997","","","1267","","","","","","","","","3","","","3","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000065","8.088","0.002","9.204","0.004","10.034","0.015","90","","90","","90","","746.95","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Kanters, J. A.; Roelofsen, G.; Alblas, B. P.; Meinders, I.","The crystal and molecular structure of β-d-fructose, with emphasis on anomeric effect and hydrogen-bond interactions","Acta Crystallographica Section B","1977","33","3","665","672","10.1107/S0567740877004439","","","","","","","","","","","","","","","","","","","","","has coordinates","175342","2020-10-21","18:00:00",""
"5000067","10.36","","14.84","","4.97","","90","","90","","90","","764.1","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Brown, G. M.; Levy, H. A.","α-D-Glucose: Precise Determination of Crystal and Molecular Structure by Neutron-Diffraction Analysis","Science","1965","147","3661","1038","1039","10.1126/science.147.3661.1038-a","","","","","","","","","","","","","","","","","","","","","has coordinates","175341","2020-10-21","18:00:00",""
"5000074","7.491","0.007","13.697","0.012","14.775","0.014","90","","90","","90","","1515.98","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Canfield, D. V.; Barrick, J.; Giessen, B. C.","Structure of codeine","Acta Crystallographica Section C","1987","43","5","977","979","10.1107/S0108270187093363","","","","","","","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000076","7.61","","11.01","","17.27","","90","","90","","90","","1446.99","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 I2 N2 -","- C10 H16 I2 N2 -","- C40 H64 I8 N8 -","4","1","","Koo, Chung Hoe; Kim, Hoon Sup","The Crystal Structure of Nicotine Dihydroiodide","Journal of the Korean Chemical Society","1965","9","3","134","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","187371","2020-10-21","18:00:00",""
"5000082","7.696","0.005","10.227","0.002","23.688","0.005","90","","90","","90","","1864.41","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","tetrahydrocortisol","","","- C21 H34 O5 -","- C21 H34 O5 -","- C84 H136 O20 -","4","1","","Ribár, B.; Vladimirov, S.; Živanov-Stakić, D.; Strumpel, M.","Crystal structure of tetrahydrocortisol","Journal of Chemical Crystallography","1995","25","8","499","503","10.1007/BF01665707","","","","","","","","","","","","","","","","","","","","","has coordinates","187370","2020-10-21","18:00:00",""
"5000084","11.319","0.002","22.803","0.004","7.381","0.002","90","","90","","90","","1905.09","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 F O4 -","- C22 H29 F O4 -","- C88 H116 F4 O16 -","4","1","","Dupont, L.; Dideberg, O.; Campsteyn, H.","Structure cristalline de la l7-désoxyméthasone, C~22~H~29~O~4~F","Acta Crystallographica Section B","1974","30","2","514","516","10.1107/S0567740874003086","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000103","8.27","0.04","10.54","0.05","16.47","0.08","90","","90","","90","","1435.62","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Cl -","- C15 Cl -","- C60 Cl4 -","4","1","","Robertson, J. Monteath; Todd, G.","X-ray studies in the caryophyllene series. The chloride and bromide from β-caryophyllene alcohol","Journal of the Chemical Society","1955","","","1254","1263","10.1039/JR9550001254","","","","","","","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000112","7.148","0.003","17.59","0.008","5.202","0.002","90","","90","","90","","654.06","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Cl N O2 -","- C3 H8 Cl N O2 -","- C12 H32 Cl4 N4 O8 -","4","1","","di Blasio, B.; Pavone, V.; Pedone, C.","","Crystal Structure Communications","1977","6","","745","","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000127","9.1829","0.0008","9.6316","0.0007","47.151","0.013","90","","90","","90","","4170.32","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H71 N O15 -","- C37 H71 N O15 -","- C148 H284 N4 O60 -","4","1","","Stephenson, Gregory A.; Stowell, Oseph G.; Toma, Pascal H.; Pfeiffer, Ralph R.; Byrn, Stephen R.","Solid-State Investigations of Erythromycin A Dihydrate: Structure, NMR Spectroscopy, and Hygroscopicity","Journal of Pharmaceutical Sciences","1997","86","11","1239","1244","10.1021/js9701667","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000133","9.574","0.001","10.614","0.002","17.549","0.004","90","","90","","90","","1783.3","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 I N O4 -","- C18 H21 I N O4 -","- C72 H84 I4 N4 O16 -","4","1","","Wongweichintana, C.; Holt, E. M.; Purdie, N.","Structures of morphine methyl iodide monohydrate, (C~18~H~22~NO~3~)^+^.I^-^.H~2~O, and di(morphine) dihydrogensulfate pentahydrate, 2(C~17~H~20~NO~3~)^+^.SO~4~^2-^.5H~2~O","Acta Crystallographica Section C","1984","40","8","1486","1490","10.1107/S0108270184008453","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000134","6.252","0.002","12.592","0.003","22.488","0.002","90","","90","","90","","1770.37","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Foresti Serantoni, E.; Krajewski, A.; Mongiorgi, R.; Riva di Sanseverino, L.; R., Cameroni","","Crystal Structure Communications","1975","4","","189","","","","","","","","","","","","","","","","","","","","","","","has coordinates","175389","2020-10-21","18:00:00",""
"5000139","8.836","0.001","12.416","0.001","18.76","0.002","90","","90","","90","","2058.12","","","","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Oxytetracycline","","- C22 H24 N2 O9 -","- C22 H24 N2 O9 -","- C88 H96 N8 O36 -","4","1","","Prewo, R.; Stezowski, J. J.","Chemical-structural properties of tetracycline derivatives. 3. The integrity of the conformation of the nonionized free base","Journal of the American Chemical Society","1977","99","4","1117","1121","10.1021/ja00446a024","","","","","","","5.4","","","5.4","","","","","","","","","","","has coordinates","187366","2020-10-21","18:00:00",""
"5000142","6.106","0.006","23.24","0.02","5.168","0.005","90","","90","","90","","733.36","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 N2 O5 -","- C6 H4 N2 O5 -","- C24 H16 N8 O20 -","4","1","","Kagawa, T.; Kawai, R.; Kashino, S.; Haisa, M.","The crystal and molecular structure of 2,4-dinitrophenol","Acta Crystallographica Section B","1976","32","12","3171","3175","10.1107/S0567740876009886","","","","","","","","","","","","","","","","","","","","","has coordinates","175351","2020-10-21","18:00:00",""
"5000160","8.992","0.002","14.322","0.003","9.446","0.002","90","","90","","90","","1216.49","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 O4 -","- C14 O4 -","- C56 O16 -","4","1","","Sax, M.; McMullan, R. K.","The crystal structure of dibenzoyl peroxide and the dihedral angle in covalent peroxides","Acta Crystallographica","1967","22","2","281","288","10.1107/S0365110X67000477","","","","","","","","","","","","","","","","","","","","","has coordinates","175365","2020-10-21","18:00:00",""
"5000161","16.882","0.003","17.619","0.002","8.497","0.001","90","","90","","90","","2527.38","","","","228","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cholic acid acrylonitrile clathrate","","- C27 H43 N O5 -","- C27 H43 N O5 -","- C108 H172 N4 O20 -","4","1","","Nakano, Kazunori; Sada, Kazuki; Miyata, Mikiji","Novel additive effect of inclusion crystals on polymorphs‒cholic acid crystals having different hydrogen-bonded networks with the same organic guest","Chemical Communications","1996","","8","989","990","10.1039/CC9960000989","","","","","","","8.8","","","8.8","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000184","5.28","0.002","12.972","0.005","16.707","0.007","90","","90","","90","","1144.3","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 -","- C18 H12 -","- C72 H48 -","4","1","","Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1:1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons","New Journal of Chemistry","2001","25","11","1410","1417","10.1039/b105502j","","","","","","","","","","","","","","","","","","","","","has coordinates","175430","2020-10-21","18:00:00",""
"5000199","5.4896","0.0003","8.4221","0.0003","9.3453","0.0005","90","","90","","90","","432.07","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C12 H24 O12 -","4","1","","Schouten, A.; Kanters, J. A.; van Krieken, J.","Low temperature crystal structure and molecular conformation of L-(+)-lactic acid","Journal of Molecular Structure","1994","323","","165","168","10.1016/0022-2860(94)08307-X","","","","","","","","","","","","","","","","","","","","","has coordinates","175431","2020-10-21","18:00:00",""
"5000236","10.424","0.007","17.236","0.012","23.64","0.02","90","","90","","90","","4247.35","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H56 Br N O5 -","- C45 H56 Br N O5 -","- C180 H224 Br4 N4 O20 -","4","1","","Stewart, Michael; Blunt, John W.; Munro, Murray H. G.; Robinson, Ward T.; Hannah, Donald J.","The absolute stereochemistry of the New Zealand shellfish toxin gymnodimine","Tetrahedron Letters","1997","38","27","4889","4890","10.1016/S0040-4039(97)01050-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000237","13.739","0.003","20.864","0.005","28.778","0.006","90","","90","","90","","8249.23","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H94 Ag4 Cl4 N12 O33 -","- C54 H78 Ag4 Cl4 N12 O33 -","- C216 H312 Ag16 Cl16 N48 O132 -","4","1","","Wipf, Peter; Venkatraman, Srikanth; Miller, Chris P.; Geib, Steven J.","Metal Complexes of Marine Peptide Metabolites: A Novel Ag~4~ Cluster","Angewandte Chemie, International Edition","1994","33","14","1516","1518","10.1002/anie.199415161","","","","","","","","","","","","","","","","","","","","","has coordinates","175443","2020-10-21","18:00:00",""
"5000238","9.248","","22.97","","5.331","","90","","90","","90","","1132.45","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 O3 S2 -","- C11 H7 N2 O3 S2 -","- C44 H28 N8 O12 S8 -","4","1","","Blank, G. E.; Pletcher, J.; Sax, M.","The molecular structure of firefly D-(‒)-luciferin: A single crystal X-ray analysis","Biochemical and Biophysical Research Communications","1971","42","3","583","588","10.1016/0006-291X(71)90411-6","","","","","","","","","","","","","","","","","","","","","has coordinates","175443","2020-10-21","18:00:00",""
"5000239","7.5059","0.0001","14.199","0.0003","28.7786","0.0001","90","","90","","90","","3067.12","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 O7 -","- C33 H50 O7 -","- C132 H200 O28 -","4","1","","Jiménez, Jorge I.; Yoshida, Wesley Y.; Scheuer, Paul J.; Lobkovsky, Emil; Clardy, Jon; Kelly, Michelle","Honulactones: New Bishomoscalarane Sesterterpenes from the Indonesian Sponge Strepsichordaia aliena","Journal of Organic Chemistry","2000","65","21","6837","6840","10.1021/jo991924b","","","","","","","","","","","","","","","","","","","","","has coordinates","175443","2020-10-21","18:00:00",""
"5000240","18.173","0.003","20.138","0.004","15.574","0.003","90","","90","","90","","5699.58","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H81 N4 O15 P -","- C50 N4 O15 P -","- C200 N16 O60 P4 -","4","1","","Kato, Yuko; Fusetani, Nobuhiro; Matsunaga, Shigeki; Hashimoto, Kanehisa; Fujita, Shigeo; Furuya, Toshio","Bioactive marine metabolites. Part 16. Calyculin A. A novel antitumor metabolite from the marine sponge Discodermia calyx","Journal of the American Chemical Society","1986","108","10","2780","2781","10.1021/ja00270a061","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000241","12.989","0.003","15.267","0.005","15.89","0.003","90","","90","","90","","3151.04","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 Cl N4 O -","- C36 H45 Cl N4 O -","- C144 H180 Cl4 N16 O4 -","4","1","","Sakai, Ryuichi; Higa, Tatsuo; Jefford, Charles W.; Bernardinelli, Gerald","Manzamine A, a novel antitumor alkaloid from a sponge","Journal of the American Chemical Society","1986","108","20","6404","6405","10.1021/ja00280a055","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000242","15.242","0.007","15.885","0.008","12.954","0.006","90","","90","","90","","3136.41","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 Cl N4 O -","- C36 H45 Cl N4 O -","- C144 H180 Cl4 N16 O4 -","4","1","","Nakamura, Hideshi; Deng, Shongzhi; Kobayashi, Jun'ichi; Ohizumi, Yasushi; Tomotake, Yasuko; Matsuzaki, Takao; Hirata, Yoshimasa","Keramamine-A and -B, novel antimicrobial alkaloids from the Okinawan marine Pellina sponge sp.","Tetrahedron Letters","1987","28","6","621","624","10.1016/S0040-4039(00)95796-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000246","8.4315","0.0008","9.3312","0.0008","38.353","0.002","90","","90","","90","","3017.46","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 N4 O -","- C36 H45 N4 O -","- C144 H180 N16 O4 -","4","1","","Sakai, Ryuichi; Kohmoto, Shigeo; Higa, Tatsuo; Jefford, Charles W.; Bernardinelli, Gérald","Manzamine B and C, two novel alkaloids from the sponge haliclona sp.","Tetrahedron Letters","1987","28","45","5493","5496","10.1016/S0040-4039(00)96762-5","","","","","","","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000247","11.417","0.007","15.22","0.004","22.486","0.006","90","","90","","90","","3907.32","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H62 O8 -","- C47 H50 O8 -","- C188 H200 O32 -","4","1","","Bauer, Ines; Maranda, Lucie; Shimizu, Yuzuru; Peterson, Russell W.; Cornell, Laurie; Steiner, Jorge Rios; Clardy, Jon","The Structures of Amphidinolide B Isomers: Strongly Cytotoxic Macrolides Produced by a Free-Swimming Dinoflagellate, Amphidinium sp","Journal of the American Chemical Society","1994","116","6","2657","2658","10.1021/ja00085a071","","","","","","","","","","","","","","","","","","","","","has coordinates","175372","2020-10-21","18:00:00",""
"5000249","8.156","0.001","9.904","0.001","26.557","0.003","90","","90","","90","","2145.2","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O5 -","- C22 H30 O5 -","- C88 H120 O20 -","4","1","","Coval, Stephen J.; Patton, Robert W.; Petrin, Joanne M.; James, Linda; Rothofsky, Marnie L.; Lin, Stanley L.; Patel, Mahesh; Reed, John K.; McPhail, Andrew T.; Robert Bishop, W.","A cembranolide diterpene farnesyl protein transferase inhibitor from the marine soft coral Lobophytum cristagalli","Bioorganic & Medicinal Chemistry Letters","1996","6","7","909","912","10.1016/0960-894X(96)00142-4","","","","","","","","","","","","","","","","","","","","","has coordinates","175443","2020-10-21","18:00:00",""
"5000250","13.456","0.001","17.884","0.002","28.965","0.002","90","","90","","90","","6970.34","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H94 N8 O15 -","- C67 N8 O13 -","- C268 N32 O52 -","4","1","","Renner, Matthew K.; Shen, Ya-Ching; Cheng, Xing-Chung; Jensen, Paul R.; Frankmoelle, Walter; Kauffman, Christopher A.; Fenical, William; Lobkovsky, Emil; Clardy, Jon","Cyclomarins A‒C, New Antiinflammatory Cyclic Peptides Produced by a Marine Bacterium (Streptomyces sp.)","Journal of the American Chemical Society","1999","121","49","11273","11276","10.1021/ja992482o","","","","","","","","","","","","","","","","","","","","","has coordinates","175374","2020-10-21","18:00:00",""
"5000251","8.403","0.001","31.11","0.002","5.937","0.001","90","","90","","90","","1552.03","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Br2 O2 -","- C16 H20 Br2 O2 -","- C64 H80 Br8 O8 -","4","1","","Wall, Monroe E.; Wani, Mansukh C.; Manikumar, Govindarajan; Taylor, Harold; Hughes, Thomas J.; Gaetano, Kevan; Gerwick, William H.; McPhail, Andrew T.; McPhail, Donald R.","Plant Antimutagenic Agents 7. Structure and Antimutagenic Properties of Cymobarbatol and 4-Isocymbarbatol, New Cymopols from Green Alga (Cymopolia barbata)","Journal of Natural Products","1989","52","5","1092","1099","10.1021/np50065a028","","","","","","","","","","","","","","","","","","","","","has coordinates","176475","2020-10-21","18:00:00",""
"5000253","7.112","0.001","14.404","0.002","20.621","0.004","90","","90","","90","","2112.44","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Br N3 O2 S -","- C18 H14 Br N3 O2 S -","- C72 H56 Br4 N12 O8 S4 -","4","1","","Kobayashi, Jun'ichi; Cheng, Jie-fei; Ishibashi, Masami; Nakamura, Hideshi; Ohizumi, Yasushi; Hirata, Yoshimasa; Sasaki, Takuma; Lu, Helen; Clardy, Jon","Prianosin A, a novel antileukemic alkaloid from the okinawan marine sponge Prianos melanos","Tetrahedron Letters","1987","28","42","4939","4942","10.1016/S0040-4039(00)96664-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000254","21.137","0.007","12.861","0.005","9.516","0.003","90","","90","","90","","2586.86","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Cl4 O6 -","- C24 H21 Cl4 O6 -","- C96 H84 Cl16 O24 -","4","1","","Arora, Satish K.; Bates, Robert B.; Grady, Raymond A.; Delfel, Norman E.","Crystal and molecular structure of the one to one complex of rotenone and carbon tetrachloride","Journal of the American Chemical Society","1975","97","20","5752","5755","10.1021/ja00853a020","","","","","","","","","","","","","","","","","","","","","has coordinates","175374","2020-10-21","18:00:00",""
"5000255","9.213","0.002","11.837","0.003","18.573","0.007","90","","90","","90","","2025.47","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 Cl2 N7 O5 -","- C12 Cl2 N7 O5 -","- C48 Cl8 N28 O20 -","4","1","","Bordner, Jon; Thiessen, William E.; Bates, Hans A.; Rapoport, Henry","Structure of a crystalline derivative of saxitoxin. Structure of saxitoxin","Journal of the American Chemical Society","1975","97","21","6008","6012","10.1021/ja00854a009","","","","","","","","","","","","","","","","","","","","","has coordinates","175374","2020-10-21","18:00:00",""
"5000258","10.147","0.002","11.938","0.002","12.531","0.014","90","","90","","90","","1517.94","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Br Cl O2 -","- C15 H22 Br Cl O2 -","- C60 H88 Br4 Cl4 O8 -","4","1","","Atta-Ur-Rahman; Ahmad, Viqar Uddin; Bano, Shaheen; Abbas, S. A.; Alvi, K. A.; Ali, M. Shaiq; Lu, Helens M.; Clardy, Jon","Pinnatazane, a bridged cyclic ether sesquiterpene from Laurencia pinnatifida","Phytochemistry","1988","27","12","3879","3880","10.1016/0031-9422(88)83036-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000259","11.766","0.001","31.797","0.002","11.233","0.001","90","","90","","90","","4202.53","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H62 O8 -","- C44 H62 O8 -","- C176 H248 O32 -","4","1","","Kobayashi, Jun'ichi; Shimbo, Kazutaka; Sato, Masaaki; Shiro, Motoo; Tsuda, Masashi","Absolute Stereochemistry of Amphidinolides G and H","Organic Letters","2000","2","18","2805","2807","10.1021/ol006223b","","","","","","","","","","","","","","","","","","","","","has coordinates","176476","2020-10-21","18:00:00",""
"5000263","12.345","0.003","12.738","","13.315","0.005","90","","90","","90","","2093.79","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N2 O -","- C22 N2 O -","- C88 N8 O4 -","4","1","","Fusetani, N.; Yasumuro, K.; Kawai, H.; Natori, T.; Brinen, L.; Clardy, J.","Kalihinene and isokalihinol B, cytotoxic diterpene isonitriles from the marine sponge Acanthella klethra","Tetrahedron Letters","1990","31","25","3599","3602","10.1016/S0040-4039(00)94453-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000266","6.972","0.001","13.115","0.003","21.258","0.003","90","","90","","90","","1943.78","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl6 N2 O2 -","- C14 H16 Cl6 N2 O2 -","- C56 H64 Cl24 N8 O8 -","4","1","","Su, Jing-Yu; Zhong, Yong-Li; Zeng, Long-Mei; Lu, Yang; Tian, Zhi-Yue; Zheng, Qi-Tai","Studies on structure and conformation of marine polychlorinated diketopiperazines","Acta Chimica Sinica","1995","53","1","90","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","187394","2020-10-21","18:00:00",""
"5000267","5.834","0.002","20.035","0.002","21.503","0.004","90","","90","","90","","2513.36","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 O9 -","- C26 H46 O9 -","- C104 H184 O36 -","4","1","","Mattia, C. A.; Mazzarella, L.; Puliti, R.; Riccio, R.; Minale, L.","Structure and stereochemistry of (24R)-27-nor-5α-cholestane-3β,4β,5,6α,7β,8,14,15α,24-nonaol: a highly hydroxylated marine steroid from the starfish Archaster typicus","Acta Crystallographica Section C","1988","44","12","2170","2173","10.1107/S0108270188008868","","","","","","","","","","","","","","","","","","","","","has coordinates","175363","2020-10-21","18:00:00",""
"5000268","10.613","0.006","25.36","0.01","9.321","0.003","90","","90","","90","","2508.71","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N5 O5 -","- C27 H27 N5 O5 -","- C108 H108 N20 O20 -","4","1","","Numata, Atsushi; Takahashi, Chika; Matsushita, Tomochika; Miyamoto, Tamie; Kawai, Kenzo; Usami, Yoshihide; Matsumura, Eiko; Inoue, Masatoshi; Ohishi, Hirofumi; Shingu, Tetsuro","Fumiquinazolines, novel metabolites of a fungus isolated from a saltfish","Tetrahedron Letters","1992","33","12","1621","1624","10.1016/S0040-4039(00)91690-3","","","","","","","","","","","","","","","","","","","","","has coordinates","175435","2020-10-21","18:00:00",""
"5000270","13.562","0.002","21.636","0.002","8.735","0.002","90","","90","","90","","2563.09","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 O5 -","- C27 O5 -","- C108 O20 -","4","1","","Ishida, Hitoshi; Kinoshita, Shunya; Natsuyama, Ryukan; Nukaya, Haruo; Tsuji, Kuniro; Kosuge, Takuo; Yamaguchi, Kentaro","Study on the Bile Slat, Sodium Scymnol Sulfate, from Rhizoprionodon acutus. II. The Structures of Scymnol, Anhydroscymnol and Sodium Scymnol Sulfate","Chemical and Pharmaceutical Bulletin","1991","39","12","3153","3156","10.1248/cpb.39.3153","","","","","","","","","","","","","","","","","","","","","has coordinates","175844","2020-10-21","18:00:00",""
"5000271","8.801","0.004","22.595","0.007","27.776","0.005","90","","90","","90","","5523.5","","","","243.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","PEPSEQ C=6 GLY*-PHE*-THR-SER!,THR*-ILE- A=2 GLY*,SER!","Salinamide B monohydrate","","- C51 H72 Cl N7 O16 -","- C51 H69 Cl N7 O16 -","- C204 H276 Cl4 N28 O64 -","4","1","","Trischman, Jacqueline A.; Tapiolas, Dianne M.; Jensen, Paul R.; Dwight, Ryan; Fenical, William; McKee, Tawnya C.; Ireland, Chris M.; Stout, Thomas J.; Clardy, Jon","Salinamides A and B: anti-inflammatory depsipeptides from a marine streptomycete","Journal of the American Chemical Society","1994","116","2","757","758","10.1021/ja00081a042","","","","","","","0.0828","","","0.0828","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000276","8.926","0.005","22.341","0.011","8.159","0.002","90","","90","","90","","1627.03","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Br N2 O2 -","- C18 Br N2 O2 -","- C72 Br4 N8 O8 -","4","1","","Kaneda, Miyuki; Tamai, Satoshi; Nakamura, Shoshiro; Hirata, Toshifumi; Kushi, Yoshihiko; Suga, Takayuki","Piperazinomycin, a new antifungal antibiotic. II. Structure determination by X-ray crystallography","The Journal of Antibiotics","1982","35","9","1137","1140","10.7164/antibiotics.35.1137","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000277","13.676","0.005","30.663","0.009","6.821","0.002","90","","90","","90","","2860.37","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 N4 O10 -","- C29 H14 N4 O10 -","- C116 H56 N16 O40 -","4","1","","Chiu, Yuan-Yuan H.; Lipscomb, William N.","Molecular and crystal structure of streptonigrin","Journal of the American Chemical Society","1975","97","9","2525","2530","10.1021/ja00842a033","","","","","","","","","","","","","","","","","","","","","has coordinates","175374","2020-10-21","18:00:00",""
"5000278","11.72","0.01","12.72","0.01","8.8","0.01","90","","90","","90","","1311.89","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O7 -","- C12 H18 N2 O7 -","- C48 H72 N8 O28 -","4","1","","Tokuma, Yoji; Koda, Shigetaka; Miyoshi, Toshio; Morimoto, Yukiyoshi","The Crystal and Molecular Structure of Bicyclomycin, a New Antibiotic","Bulletin of the Chemical Society of Japan","1974","47","1","18","23","10.1246/bcsj.47.18","","","","","","","","","","","","","","","","","","","","","has coordinates","175433","2020-10-21","18:00:00",""
"5000285","6.115","0.004","12.456","0.006","19.188","0.01","90","","90","","90","","1461.52","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Br2 Cl3 -","- C10 H15 Br2 Cl3 -","- C40 H60 Br8 Cl12 -","4","1","","Fuller, Richard W.; Cardellina, John H.; Kato, Yoko; Brinen, Linda S.; Clardy, Jon; Snader, Kenneth M.; Boyd, Michael R.","A pentahalogenated monoterpene from the red alga Portieria hornemannii produces a novel cytotoxicity profile against a diverse panel of human tumor cell lines","Journal of Medicinal Chemistry","1992","35","16","3007","3011","10.1021/jm00094a012","","","","","","","","","","","","","","","","","","","","","has coordinates","175845","2020-10-21","18:00:00",""
"5000363","17.79","0.003","19.951","0.004","9.7116","0.0019","90","","90","","90","","3446.9","1.2","105","","105","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 B N6 Zn -","- C33.97 H54.91 B N6 Tl0.03 Zn0.97 -","- C135.88 H219.64 B4 N24 Tl0.12 Zn3.88 -","4","1","","","","","","","","","","","","","0.71069","MoKα","","","0.0549","","","","0.052","","","","","","1.125","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"5900004","6.89","","6.96","","8.45","","90","","90","","90","","405.21","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Monomethylurea","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","","","Strukturbericht","","3","","660","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5910013","4.8728","0.0002","4.6411","0.0002","8.8671","0.0004","90","","90","","90","","200.531","0.015","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C D4 O -","- C D4 O -","- C4 D16 O4 -","4","1","","Torrie, B. H.; Weng, S.-X.; Powell, B. M.","Structure of the α-phase of solid methanol","Molecular Physics","1989","67","3","575","581","10.1080/00268978900101291","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5910075","8.9277","0.0002","27.0359","0.0005","7.3814","0.0001","90","","90","","90","","1781.64","0.06","","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","S-Camphor","1,7,7-Trimethylbicyclo(2.2.1)hept-2-one","","- C10 H16 O -","- C10 H16 O -","- C80 H128 O8 -","8","2","","M.Brunelli; A.N.Fitch; A.J.Mora","","J.Solid State Chem.","2002","163","","253","","10.1006/jssc.2001.9400","","","","","","","0.0309","","","0.0309","","","","","","","","","","","has coordinates","177123","2020-10-21","18:00:00",""
"6000085","7.1725","","10.299","","12.3691","","90","","90","","90","","913.7","","","","","","","","","","","","","5","P 21 21 21","","","","","","- H10 N O11 P V2 -","","","","","","Wilde, I.; Worzala, H.; Steinike, U.; Wolf, G. U.","NH~4~(VO~2~)~2~PO~4~ x 3H~2~O - ab initio structure analysis and its transformation during the ammoxidation of toluene","Materials Science Forum","2000","","","982","987","10.4028/www.scientific.net/MSF.321-324.982","","","","","","","","","","","","","","","","","","","","","","188694","2020-10-21","18:00:00",""
"6000103","10.18","","15.899","","23.227","","90","","90","","90","","3759.33","","","","","","","","","","","","","6","P 21 21 21","","","","","","- C10 H56 N10 O29 P6 Ti3 -","","","","","","Guo, Y. H.; Shi, Z.; Qu, X. J.; Pang, W. Q.","Studies on solvothermal synthesis and structure of a new titanium phosphate large single crystal","Gaodeng Xuexiao Huaxue Xuebao","2000","21","","1010","1012","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000149","7.723","","10.155","","12.505","","90","","90","","90","","980.73","","","","","","","","","","","","","4","P 21 21 21","","","","","","- B6 Na3 O13 V -","","","","","","Touboul, M.; Penin, N.; Nowogrocki, G.","Synthesis and crystal structure of the first fully characterized vanadoborate Na-3[B6O9(VO4)]","Journal of Solid State Chemistry","2000","150","","342","346","10.1006/jssc.1999.8600","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000184","6.3884","","10.7284","","11.2762","","90","","90","","90","","772.84","","","","","","","","","","","","","6","P 21 21 21","","","","","","- C H6 Cu O9 P2 V -","","","","","","Paulet, C.; Serre, C.; Loiseau, T.; Riou, D.; Ferey, G.","Hybrid open-frameworks (MIL-n): Syntheses and structures of 2-dimensional gallium methylphosphonates (MIL-23) and 3-dimensional copper vanadium methyldiphosphonate (MIL-24)","Comptes Rendus de l'Academie des Sciences, Serie IIc: Chimie","1999","2","","631","636","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000199","11.18","0.01","16.17","0.01","4.11","0.003","90","","90","","90","","743.01","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-di-bromo-aniline","","- C6 H5 Br2 N -","- C6 H5 Br2 N -","- C24 H20 Br8 N4 -","4","1","","Goubitz, K.; Sonneveld, E. J.; Schenk, H.","Crystal structure determination of a series of small organic compounds from powder data","Zeitschrift für Kristallographie","2001","216","3","176","181","10.1524/zkri.216.3.176.20326","","","","","","","","","","","","","","","","","","","","","has coordinates","288314","2023-12-14","16:11:03",""
"6000205","15.265","","20.524","","3.99","","90","","90","","90","","1250.06","","","","","","","","","","","","","3","P 21 21 21","","","","","","- C18 H12 O2 -","","","","","","Yatsenko, A. V.; Chernyshev, V. V.; Zhukov, S. G.; Sonneveld, E. J.; Schenk, H.","Crystal structure of 3-methoxybenzanthrone from X-ray powder diffraction","Powder Diffraction","1999","14","","133","135","10.1017/S0885715600010447","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000222","7.299","","9.435","","9.42","","90","","90","","90","","648.72","","","","","","","","","","","","","4","P 21 21 21","","","","","","- C H N2 Rb -","","","","","","Becker, M.; Jansen, M.","Synthesis and characterization of rubidium hydrogen cyanamide","Zeitschrift für Naturforschung B","1999","54","11","1375","1378","10.1515/znb-1999-1107","","","","","","","","","","","","","","","","","","","","","","174976","2020-10-21","18:00:00",""
"6000518","8.8107","","10.2258","","20.9082","","90","","90","","90","","1883.75","","","","","","","","","","","","","7","P 21 21 21","","","","","","- C5 H19 F3 Ga3 N3 O12 P3 -","","","","","","Paulet, C.; Loiseau, T.; Ferey, G.","Hydrothermal synthesis (in water-dimethylformamide) and crystal structure of MIL-30, a new layered fluorinated gallium phosphate with 1,3-diaminopropane and dimethylamine as templates","Journal of Materials Chemistry","2000","10","","1225","1229","10.1039/a909315j","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000551","9.05","","14.591","","7.294","","90","","90","","90","","963.16","","","","90","","","","","","","","","3","P 21 21 21","","","","","","- C10 H16 S -","","","","","","Brunelli, M.; Fitch, A. N.; Mora, A. J.","Crystal structures of bicyclic organic molecules","Materials Science Forum","2000","","","1092","1097","10.4028/www.scientific.net/MSF.321-324.1092","","","","","","","","","","","","","","","","","","","","","","188694","2020-10-21","18:00:00",""
"6000640","7.884","","10.221","","6.624","","90","","90","","90","","533.78","","","","223","","","","","","","","","3","P 21 21 21","","","","","","- Cu3 S3 Sb -","","","","","","Pfitzner, A.","Disorder of Cu+ in Cu3SbS3: structural investigations of the high- and low-temperature modification","Zeitschrift für Kristallographie","1998","213","4","228","236","10.1524/zkri.1998.213.4.228","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000645","5.6881","","5.6821","","8.0566","","90","","90","","90","","260.39","","","","","","","","","","","","","3","P 21 21 21","","","","","","- Nb O3 Sr0.97 -","","","","","","Peng, N. H.; Irvine, J. T. S.; Fitzgerald, A. G.","Synthesis and crystal structure of the distorted perovskite Sr0.97NbO3 determined by high resolution powder neutron diffraction","Journal of Materials Chemistry","1998","8","","1033","1038","10.1039/a708290h","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000762","11.99","","9.496","","8.339","","90","","90","","90","","949.45","","","","","","","","","","","","","4","P 21 21 21","","","","","","- Fe2 H3 O12 V3 -","","","","","","Poizot, P.; Laruelle, S.; Touboul, M.; Louer, M.; Louer, D.","Synthesis and crystal structure of a new hydrated iron(III) vanadate Fe2(H2O)[V2O7 .VO3(OH)]","Journal of Materials Chemistry","2000","10","","1841","1845","10.1039/b000448k","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7000008","15.8475","0.0002","17.4778","0.0002","17.5446","0.0002","90","","90","","90","","4859.49","0.1","203","","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H58 Cl2 F12 N8 P2 Rh2 -","- C39 H58 Cl2 F12 N8 P2 Rh2 -","- C156 H232 Cl8 F48 N32 P8 Rh8 -","4","1","","Neveling, Arno; Julius, Gerrit R.; Cronje, Stephanie; Esterhuysen, Catharine; Raubenheimer, Helgard G.","Thione complexes of Rh(I): a first comparison with the bonding and catalytic activity of related carbene and imine compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","1","181","192","10.1039/b414040k","","","0.71073","MoKα","","0.0632","0.0325","","","0.0629","0.0707","","","","","","1.016","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000014","8.514","0.003","14.59","0.005","18.653","0.005","90","","90","","90","","2317.1","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Fe O7 Ru -","- C24 H26 Fe O7 Ru -","- C96 H104 Fe4 O28 Ru4 -","4","1","","Dennett, James N. L.; Knox, Selby A. R.; Anderson, Kirsty M.; Charmant, Jonathan P. H.; Orpen, A. Guy","The synthesis of [FeRu(CO)2(mu-CO)2(eta-C5H5)(eta-C5Me5)] and convenient entries to its organometallic chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","1","63","73","10.1039/b414412k","","","0.71073","MoKα","","0.0681","0.05","","","0.1091","0.1139","","","","","","0.959","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000037","13.691","0.002","19.901","0.004","23.582","0.004","90","","90","","90","","6425.3","1.9","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H88 Cl2 Ga4 Ru2 -","- C60 H88 Cl2 Ga4 Ru2 -","- C240 H352 Cl8 Ga16 Ru8 -","4","1","","Cokoja, Mirza; Gemel, Christian; Steinke, Tobias; Schroder, Felicitas; Fischer, Roland A.","Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru-Cl bonds of [(p-cymene)RuIICl2]2 and [Cp*RuIICl]4.","Dalton transactions (Cambridge, England : 2003)","2005","","1","44","54","10.1039/b411727a","","","0.71073","MoKα","","0.0424","0.0326","","","0.0726","0.0769","","","","","","1.002","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000042","11.39","0.003","16.605","0.004","21.418","0.005","90","","90","","90","","4050.8","1.7","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 Cl Ga3 Ru -","- C40 H48 Cl Ga3 Ru -","- C160 H192 Cl4 Ga12 Ru4 -","4","1","","Cokoja, Mirza; Gemel, Christian; Steinke, Tobias; Schroder, Felicitas; Fischer, Roland A.","Insertion reactions of GaCp*, InCp* and In[C(SiMe3)3] into the Ru-Cl bonds of [(p-cymene)RuIICl2]2 and [Cp*RuIICl]4.","Dalton transactions (Cambridge, England : 2003)","2005","","1","44","54","10.1039/b411727a","","","0.71073","MoKα","","0.0508","0.0344","","","0.0656","0.0712","","","","","","0.987","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000063","9.4996","0.0011","12.3999","0.0015","21.391","0.002","90","","90","","90","","2519.7","0.5","173","","173","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Cl2 Cu N6 O9 -","- C18 H36 Cl2 Cu N6 O9 -","- C72 H144 Cl8 Cu4 N24 O36 -","4","1","","Siegfried, Liselotte; Comparone, Antonio; Neuburger, Markus; Kaden, Thomas A.","Selective metal promoted hydrolysis of nitrile groups in the side chain of tetraazamacrocyclic Cu2±complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","1","30","36","10.1039/b412857p","","","0.71073","MoKα","","0.0617","0.0609","","0.0636","0.0631","0.0631","","","","","","1.0765","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000087","7.532","0.002","8.081","0.003","8.721","0.003","90","","90","","90","","530.8","0.3","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C H5 F O4 P Sc -","- C H5 F O4 P Sc -","- C4 H20 F4 O16 P4 Sc4 -","4","1","","Miller, Stuart R.; Lear, Emily; Gonzalez, Jorge; Slawin, Alexandra M. Z.; Wright, Paul A.; Guillou, Nathalie; Férey, Gérard","Synthesis and structure of the framework scandium methylphosphonates ScF(H2O)CH3PO3 and NaSc(CH3PO3)2.0.5H2O.","Dalton transactions (Cambridge, England : 2003)","2005","","20","3319","3325","10.1039/b504466a","","","0.71073","MoKα","","0.0169","0.0157","","","0.0369","0.0375","","","","","","1.053","","","","has coordinates","179678","2020-10-21","18:00:00",""
"7000119","7.822","0.004","16.049","0.007","25.348","0.012","90","","90","","90","","3182","3","123","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl4 Mo N2 O S4 -","- C24 H36 Cl4 Mo N2 O S4 -","- C96 H144 Cl16 Mo4 N8 O4 S16 -","4","1","","Sugimoto, Hideki; Tarumizu, Makoto; Tanaka, Koji; Miyake, Hiroyuki; Tsukube, Hiroshi","A new series of molybdenum-(IV), -(V), and -(VI) dithiolate compounds as active site models of molybdoenzymes: preparation, crystal structures, spectroscopic/electrochemical properties and reactivity in oxygen atom transfer.","Dalton transactions (Cambridge, England : 2003)","2005","","21","3558","3565","10.1039/b503828f","","","0.7107","MoKα","","","0.055","","","","0.158","","","","","","0.993","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7000144","11.4174","0.0018","13.9809","0.0009","15.0376","0.0017","90","","90","","90","","2400.4","0.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 N2 O4 Zr -","- C24 H28 Cl2 N2 O4 Zr -","- C96 H112 Cl8 N8 O16 Zr4 -","4","1","","Bott, Robyn K. J.; Hammond, Max; Horton, Peter N.; Lancaster, Simon J.; Bochmann, Manfred; Scott, Peter","Group 4 salicyloxazolines are potent polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3611","3613","10.1039/b509807f","","","0.71073","MoKα","","0.0368","0.0286","","","0.0618","0.0648","","","","","","1.032","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000148","10.6011","0.0009","11.5856","0.001","22.6485","0.0018","90","","90","","90","","2781.7","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 B10 N2 O Re -","- C21 H39 B10 N2 O Re -","- C84 H156 B40 N8 O4 Re4 -","4","1","","Du, Shaowu; Kautz, Jason A.; McGrath, Thomas D.; Stone, F Gordon A","Alkyne coupling at a rhenium-monocarborane substrate: synthesis of Re,B-eta2:sigma-butadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","22","3672","3680","10.1039/b510026g","","","0.71073","MoKα","","0.0474","0.0437","","","0.1085","0.1103","","","","","","1.069","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000167","12.165","0.002","12.425","0.003","12.614","0.003","90","","90","","90","","1906.6","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 Cl5 P2 Pt -","- C12 H23 Cl5 P2 Pt -","- C48 H92 Cl20 P8 Pt4 -","4","1","","Haddow, Mairi F.; Middleton, Ann J.; Orpen, A. Guy; Pringle, Paul G.; Papp, Rainer","Stereoelectronic effects in a homologous series of bidentate cyclic phosphines. A clear correlation of hydroformylation catalyst activity with ring size","Dalton Transactions","2009","","1","202","209","10.1039/b815056g","","","0.71073","MoKα","","0.0199","0.0185","","","0.0463","0.0468","","","","","","1.136","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7000171","11.0204","0.0018","11.9691","0.0016","28.877","0.003","90","","90","","90","","3809","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H60 Cl2 O2 P4 Rh2 -","- C32 H60 Cl2 O2 P4 Rh2 -","- C128 H240 Cl8 O8 P16 Rh8 -","4","1","","Haddow, Mairi F.; Middleton, Ann J.; Orpen, A. Guy; Pringle, Paul G.; Papp, Rainer","Stereoelectronic effects in a homologous series of bidentate cyclic phosphines. A clear correlation of hydroformylation catalyst activity with ring size","Dalton Transactions","2009","","1","202","209","10.1039/b815056g","","","0.71073","MoKα","","0.0941","0.0444","","","0.0914","0.1079","","","","","","0.993","","","","has coordinates,has disorder","179679","2020-10-21","18:00:00",""
"7000189","11.3085","0.0019","15.525","0.003","20.7","0.003","90","","90","","90","","3634.2","1.1","200","","200","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 Cl Mn N O4 P Pd -","- C38 H36 Cl Mn N O4 P Pd -","- C152 H144 Cl4 Mn4 N4 O16 P4 Pd4 -","4","1","","Cetiner, Derya; Jacques, Béatrice; Payet, Elina; Chavarot-Kerlidou, Murielle; Rose-Munch, Françoise; Rose, Eric; Tranchier, Jean-Philippe; Herson, Patrick","First example of an enantiopure planar chiral ligand built on a (η5-cyclohexadienyl)Mn(CO)3 scaffold","Dalton Transactions","2009","","1","27","29","10.1039/b817192k","","","0.71073","MoKα","","0.0407","0.0294","","0.0727","0.0661","0.0727","","","","","","0.9775","","","","has coordinates","209572","2020-10-21","18:00:00",""
"7000190","8.7526","0.0002","14.4126","0.0005","19.5866","0.0006","90","","90","","90","","2470.8","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl3 Cr2 N3 O6 -","- C18 H30 Cl3 Cr2 N3 O6 -","- C72 H120 Cl12 Cr8 N12 O24 -","4","1","","Jie, Suyun; Pattacini, Roberto; Rogez, Guillaume; Loose, Claudia; Kortus, Jens; Braunstein, Pierre","Synthesis, structure, magnetic and catalytic properties of new dinuclear chromium(iii) complexes with oxazoline alcoholate ligands","Dalton Transactions","2009","","1","97","105","10.1039/b809814j","","x-ray","0.71073","MoKα","","0.0497","0.0364","","","0.0696","0.0736","","","","","","1.011","","","","has coordinates","179679","2020-10-21","18:00:00",""
"7000211","13.701","0.003","16.571","0.003","33.355","0.006","90","","90","","90","","7573","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H47 Cl3 N4 O2 Zn -","- C36 H42 Cl2 N4 Zn -","- C288 H336 Cl16 N32 Zn8 -","8","2","","Griffith, Gerry A.; Al-Khatib, Mohamed J.; Patel, Kalpana; Singh, Kuldip; Solan, Gregory A.","Solid and solution state flexibility of sterically congested bis(imino)bipyridine complexes of zinc(ii) and nickel(ii)","Dalton Transactions","2009","","1","185","196","10.1039/b811309b","","","0.71073","MoKα","","0.1749","0.0788","","","0.1404","0.171","","","","","","0.886","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7000212","13.5748","0.0017","16.5","0.002","32.768","0.004","90","","90","","90","","7339.5","1.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 Cl2 N4 Ni O -","- C36 H42 Cl2 N4 Ni -","- C288 H336 Cl16 N32 Ni8 -","8","2","","Griffith, Gerry A.; Al-Khatib, Mohamed J.; Patel, Kalpana; Singh, Kuldip; Solan, Gregory A.","Solid and solution state flexibility of sterically congested bis(imino)bipyridine complexes of zinc(ii) and nickel(ii)","Dalton Transactions","2009","","1","185","196","10.1039/b811309b","","","0.71073","MoKα","","0.0954","0.0597","","","0.0954","0.1053","","","","","","0.883","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7000220","8.0217","0.0006","8.9627","0.0007","29.924","0.002","90","","90","","90","","2151.4","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","dibromo(2,2'-(1,2-ethanediylbis(1,3-diazolidine-2-yl))bis- pyridine)copper(ii) monohydrate","dibromo(2,2'-[1,2-ethanediylbis(1,3-diazolidine-2-yl)]bis-pyridine)copper(II) monohydrate","","- C18 H26 Br2 Cu N6 O -","- C18 H26 Br2 Cu N6 O -","- C72 H104 Br8 Cu4 N24 O4 -","4","1","","Lee, Yong-Min; Kim, Eun-Sook; Kim, Hee-Jin; Choi, Hee Jung; Kim, Young-Inn; Kang, Sung Kwon; Choi, Sung-Nak","Selective complexation of 3d metal(ii) ions with multidentate and chiral isomers derived from condensation of 2-pyridinecarboxaldehyde with triethylenetetramine","Dalton Transactions","2009","","1","126","133","10.1039/b815621b","","","0.71073","MoKα","","0.0326","0.0268","","","0.0579","0.0592","","","","","","0.987","","","","has coordinates","179680","2020-10-21","18:00:00",""
"7000272","11.245","0.003","16.719","0.002","16.859","0.002","90","","90","","90","","3169.6","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 Cu N4 Ni O6 -","- C34 H34 Cu N4 Ni O6 -","- C136 H136 Cu4 N16 Ni4 O24 -","4","1","","Paital, Alok Ranjan; Ribas, Joan; Barrios, Leoní A.; Aromí, Guillem; Ray, Debashis","Dissymmetry of an exogenous bridging ligand facilitates the assembly of a ferromagnetic and chiral [CuIINiII] complex","Dalton Transactions","2009","","2","256","258","10.1039/b811788h","","","0.71073","MoKα","","0.0741","0.0436","","","0.0986","0.1093","","","","","","1.118","","","","has coordinates","179680","2020-10-21","18:00:00",""
"7000281","11.6308","0.0011","11.9315","0.001","21.7563","0.0015","90","","90","","90","","3019.2","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 Cl3 N4 S Zn -","- C27 H39 Cl3 N4 S Zn -","- C108 H156 Cl12 N16 S4 Zn4 -","4","1","","Godau, Tom; Platzmann, Florian; Heinemann, Frank W.; Burzlaff, Nicolai","An enantiopure N,N,S scorpionate ligand derived from (+)-camphor","Dalton Transactions","2009","","2","254","255","10.1039/b819596j","","x-ray","0.71073","MoKα","","0.046","0.0343","","","0.0709","0.0743","","","","","","1.029","","","","has coordinates","209570","2020-10-21","18:00:00",""
"7000307","11.1177","0.0005","13.9333","0.0007","16.9301","0.0006","90","","90","","90","","2622.6","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Br5 N2 Si2 -","- C21 H23 Br5 N2 Si2 -","- C84 H92 Br20 N8 Si8 -","4","1","","Xiong, Yun; Yao, Shenglai; Driess, Matthias","Twice silicon-induced C‒H activation and tautomerisation of a β-diketiminato ligand and formation of new types of N-heterocyclic silanes","Dalton Transactions","2009","","3","421","423","10.1039/b820285k","","","0.71073","MoKα","","0.0787","0.041","","","0.0611","0.069","","","","","","0.91","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7000319","11.2492","0.0001","12.9812","0.0002","16.771","0.0002","90","","90","","90","","2449.04","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 Cd N4 O7 -","- C21 H32 Cd N4 O7 -","- C84 H128 Cd4 N16 O28 -","4","1","","Martin, David P.; Supkowski, Ronald M.; LaDuca, Robert L.","Cadmium dicarboxylate coordination polymers incorporating a long-spanning organodiimine: in situ alkene isomerization and an unprecedented chiral 658 two-dimensional network","Dalton Transactions","2009","","3","514","520","10.1039/b812265b","","","0.71073","MoKα","","0.0267","0.0243","","","0.0526","0.0537","","","","","","1.027","","","","has coordinates","179681","2020-10-21","18:00:00",""
"7000401","7.0734","0.0007","13.714","0.002","23.709","0.006","90","","90","","90","","2299.9","0.7","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H35 B18 Co N2 -","- C10 H35 B18 Co N2 -","- C40 H140 B72 Co4 N8 -","4","1","","Šícha, Václav; Plešek, Jaromír; Kvíčalová, Magdalena; Císařová, Ivana; Grüner, Bohumír","Boron(8) substituted nitrilium and ammonium derivatives, versatile cobalt bis(1,2-dicarbollide) building blocks for synthetic purposes","Dalton Transactions","2009","","5","851","860","10.1039/b814941k","","","0.71069","MoKα","","0.05","0.0349","","","0.084","0.0865","","","","","","0.992","","","","has coordinates","179682","2020-10-21","18:00:00",""
"7000440","10.2441","0.0004","13.3733","0.0006","20.4625","0.0012","90","","90","","90","","2803.3","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H46 B11 N3 S Sn -","- C14 H46 B11 N3 S Sn -","- C56 H184 B44 N12 S4 Sn4 -","4","1","","Kirchmann, Marius; Gädt, Torben; Schappacher, Falko M.; Pöttgen, Rainer; Weigend, Florian; Wesemann, Lars","Partial double bond character in chalcogen compounds of stanna-closo-dodecaborate","Dalton Transactions","2009","","6","1055","1062","10.1039/b814936d","","","0.71073","MoKα","","0.0199","0.0189","","","0.0453","0.0457","","","","","","1.124","","","","has coordinates","209567","2020-10-21","18:00:00",""
"7000453","8.2032","0.0002","10.7355","0.0003","12.9656","0.0003","90","","90","","90","","1141.82","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Ru(NO)Cl2(L-HisH-1))","","","- C6 H8 Cl2 N4 O3 Ru -","- C6 H8 Cl2 N4 O3 Ru -","- C24 H32 Cl8 N16 O12 Ru4 -","4","1","","Zangl, Anna; Klüfers, Peter; Schaniel, Dominik; Woike, Theo","Photoinduced linkage isomerism of {RuNO}6 complexes with bioligands and related chelators","Dalton Transactions","2009","","6","1034","1045","10.1039/b812246f","","","0.71073","MoKα","","0.0243","0.0215","","","0.0437","0.0449","","","","","","1.084","","","","has coordinates","179682","2020-10-21","18:00:00",""
"7000536","15.306","0.004","18.166","0.012","19.2","0.006","90","","90","","90","","5339","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H66 Cu4 N10 O18 -","- C44 H52 Cu4 N10 O18 -","- C176 H208 Cu16 N40 O72 -","4","1","","Paital, Alok Ranjan; Mandal, Debashree; Huang, Xiaoying; Li, Jing; Aromí, Guillem; Ray, Debashis","Structure and dimensionality of coordination complexes correlated to piperazine conformation: from discrete [CuII2] and [CuII4] complexes to a μ1,3-N3− bridged [CuII2]n chain","Dalton Transactions","2009","","8","1352","","10.1039/b814681k","","","0.71073","MoKα","","0.1565","0.0675","","","0.1508","0.1854","","","","","","1.036","","","","has coordinates","179683","2020-10-21","18:00:00",""
"7000540","13.3176","0.0001","17.0622","0.0002","21.4828","0.0003","90","","90","","90","","4881.48","0.1","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H72 N8 O4 P8 -","- C32 H72 N8 O4 P8 -","- C128 H288 N32 O16 P32 -","4","1","","Gonzalez Calera, Silvia; Eisler, Dana J.; Goodman, Jonathan M.; McPartlin, Mary; Singh, Sanjay; Wright, Dominic S.","Joining the crown family; the tetrameric, O-bridged macrocycle [{P(μ-NtBu)}2(μ-O)]4","Dalton Transactions","2009","","8","1293","","10.1039/b900268p","","","0.71073","MoKα","","0.0507","0.0395","","","0.0798","0.0848","","","","","","1.073","","","","has coordinates","179683","2020-10-21","18:00:00",""
"7000569","12.267","0.004","13.076","0.004","24.449","0.008","90","","90","","90","","3922","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 B F15 O P -","- C40 H41 B F15 O P -","- C160 H164 B4 F60 O4 P4 -","4","1","","Welch, Gregory C.; Prieto, Roberto; Dureen, Meghan A.; Lough, Alan J.; Labeodan, Oijsamola A.; Höltrichter-Rössmann, Thorsten; Stephan, Douglas W.","Reactions of phosphines with electron deficient boranes","Dalton Transactions","2009","","9","1559","1570","10.1039/b814486a","","","0.71073","MoKα","","0.1208","0.047","","","0.0737","0.0957","","","","","","0.985","","","","has coordinates","209563","2020-10-21","18:00:00",""
"7000591","7.3306","0.0006","13.462","0.0012","20.7134","0.0019","90","","90","","90","","2044.1","0.3","173","1","173","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 Rh -","- C25 H35 Rh -","- C100 H140 Rh4 -","4","1","","Garon, Christian N.; McIsaac, Daniel I.; Vogels, Christopher M.; Decken, Andreas; Williams, Ian D.; Kleeberg, Christian; Marder, Todd B.; Westcott, Stephen A.","Synthesis and structure of indenyl rhodium(I) complexes containing unsaturated phosphines: catalyst precursors for alkene hydroboration","Dalton Transactions","2009","","9","1624","1631","10.1039/b812259h","","x-ray","0.71073","MoKα","","0.0211","0.0195","","","0.0488","0.0497","","","","","","1.038","","","","has coordinates","179683","2020-10-21","18:00:00",""
"7000597","11.4407","0.001","12.9075","0.0012","21.6066","0.0012","90","","90","","90","","3190.7","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","trans-dibromobis(2,7-dimethyl-3,6-dithiaoctane-S,S')indium(III) tetrabromoindate","","- C16 H36 Br6 In2 S4 -","- C16 H36 Br6 In2 S4 -","- C64 H144 Br24 In8 S16 -","4","1","","Gurnani, Chitra; Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael","Synthesis, characterisation and structures of thio-, seleno- and telluro-ether complexes of indium(III) halides","Dalton Transactions","2009","","9","1611","1619","10.1039/b816148h","","","0.71073","MoKα","","0.0335","0.0281","","","0.0465","0.0477","","","","","","1.052","","","","has coordinates","179683","2020-10-21","18:00:00",""
"7000614","11.8606","0.0005","16.2562","0.0007","20.992","0.0009","90","","90","","90","","4047.4","0.3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 Cl2 Cu F6 N3 O P -","- C38 H47 Cl2 Cu F6 N3 O P -","- C152 H188 Cl8 Cu4 F24 N12 O4 P4 -","4","1","","Cushion, Michael; Ebrahimpour, Parisa; Haddow, Mairi F.; Hallett, Andrew J.; Mansell, Stephen M.; Orpen, A. Guy; Wass, Duncan F.","Copper(i) complexes of cis,cis-1,3,5-tris(mesitylideneamino)cyclohexane ligands: synthesis, structure and substrate selectivity","Dalton Transactions","2009","","9","1632","1635","10.1039/b818827k","","","0.71073","MoKα","","0.0923","0.0595","","","0.1555","0.1753","","","","","","1.022","","","","has coordinates,has disorder","179684","2020-10-21","18:00:00",""
"7000720","7.182","0.0001","15.038","0.0003","16.871","0.0004","90","","90","","90","","1822.12","0.06","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Cp*Ir(H2NC6H4CO2)Cl","lp002","","- C18 H25 Cl Ir N O3 -","- C18 H25 Cl Ir N O3 -","- C72 H100 Cl4 Ir4 N4 O12 -","4","1","","Park-Gehrke, Lisa S.; Freudenthal, John; Kaminsky, Werner; DiPasquale, Antonio G.; Mayer, James M.","Synthesis and oxidation of Cp*IrIII compounds: functionalization of a Cp* methyl group","Dalton Transactions","2009","","11","1972","1983","10.1039/b820839e","","","0.71073","MoKα","","0.043","0.0374","","","0.0951","0.0982","","","","","","1.049","","","","has coordinates","179685","2020-10-21","18:00:00",""
"7000770","12.809","0.005","21.053","0.004","22.626","0.004","90","","90","","90","","6102","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H59 Cl3 N15 O13 Tb -","- C56 H57 Cl3 N15 O13 Tb -","- C224 H228 Cl12 N60 O52 Tb4 -","4","1","","Pan, Mei; Zheng, Xiang-Li; Liu, Yu; Liu, Wei-Sheng; Su, Cheng-Yong","Structural and photoluminescent studies of lanthanide complexes with tripodal triRNTB (N-substituted tris(benzimidazol-2-ylmethyl)amine): ligand substituent, anionic and secondary ligand effects","Dalton Transactions","2009","","12","2157","2169","10.1039/b818322h","","","0.71073","MoKα","","0.0815","0.0555","","","0.1254","0.1387","","","","","","1.024","","","","has coordinates,has disorder","179685","2020-10-21","18:00:00",""
"7000797","5.8722","0.0011","9.024","0.0017","23.311","0.004","90","","90","","90","","1235.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 N3 Pt Tl -","- C13 H8 N3 Pt Tl -","- C52 H32 N12 Pt4 Tl4 -","4","1","","Forniés, Juan; Fuertes, Sara; Martín, Antonio; Sicilia, Violeta; Gil, Belén; Lalinde, Elena","Extended structures containing Pt(ii)‒Tl(i) bonds. Effect of these interactions on the luminescence of cyclometalated Pt(ii) compounds","Dalton Transactions","2009","","12","2224","2234","10.1039/b819323a","","","0.71073","MoKα","","0.045","0.043","","","0.1027","0.1036","","","","","","1.108","","","","has coordinates","179685","2020-10-21","18:00:00",""
"7000805","10.1903","0.0007","13.3919","0.0009","17.0572","0.0011","90","","90","","90","","2327.8","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Br2 N3 Pd -","- C20 H29 Br2 N3 Pd -","- C80 H116 Br8 N12 Pd4 -","4","1","","Han, Yuan; Huynh, Han Vinh","Mixed carbene‒isocyanide Pd(ii) complexes: synthesis, structures and reactivity towards nucleophiles","Dalton Transactions","2009","","12","2201","2209","10.1039/b816471a","","","0.71073","MoKα","","0.0365","0.0313","","","0.0725","0.0745","","","","","","1.052","","","","has coordinates","179686","2020-10-21","18:00:00",""
"7000806","10.1986","0.0005","13.0958","0.0006","16.219","0.0007","90","","90","","90","","2166.19","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Br2 N3 Pd -","- C18 H27 Br2 N3 Pd -","- C72 H108 Br8 N12 Pd4 -","4","1","","Han, Yuan; Huynh, Han Vinh","Mixed carbene‒isocyanide Pd(ii) complexes: synthesis, structures and reactivity towards nucleophiles","Dalton Transactions","2009","","12","2201","2209","10.1039/b816471a","","","0.71073","MoKα","","0.0256","0.0227","","","0.0487","0.0493","","","","","","0.989","","","","has coordinates","179686","2020-10-21","18:00:00",""
"7000929","11.682","0.002","16.724","0.003","17.083","0.003","90","","90","","90","","3337.5","1","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 I3 N2 P S2 -","- C30 H32 I3 N2 P S2 -","- C120 H128 I12 N8 P4 S8 -","4","1","","Powell, Adam B.; Brown, Jaclyn R.; Vasudevan, Kalyan V.; Cowley, Alan H.","Facile syntheses of thiophene-substituted 1,4-diazabutadiene (α-diimine) ligands and their conversion to phosphenium triiodide salts","Dalton Transactions","2009","","14","2521","2527","10.1039/b820202h","","","0.71073","MoKα","","0.0553","0.0402","","","0.081","0.086","","","","","","1.168","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7000938","10.845","0.001","15.601","0.001","27.808","0.001","90","","90","","90","","4704.9","0.6","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H38 Cl4 N2 O4 Ru2 -","- C40 H36 Cl2 N2 O4 Ru2 -","- C160 H144 Cl8 N8 O16 Ru8 -","4","1","","Djukic, Jean-Pierre; Parkhomenko, Ksenia; Hijazi, Akram; Chemmi, Atika; Allouche, Lionel; Brelot, Lydia; Pfeffer, Michel; Ricard, Louis; Le Goff, Xavier-Frédéric","μ-Chlorido, μ-hydroxo-bridged dicarbonyl ruthenacycles: synthesis, structure and catalytic properties in hydrogen atom transfer","Dalton Transactions","2009","","15","2695","2711","10.1039/b820426h","","","0.71069","MoKα","","0.0402","0.0335","","","0.0905","0.0929","","","","","","1.024","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7000941","10.822","0.001","15.821","0.001","27.324","0.001","90","","90","","90","","4678.3","0.6","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H53 Cl N2 O5 Ru2 -","- C40 H37 Cl N2 O5 Ru2 -","- C160 H148 Cl4 N8 O20 Ru8 -","4","1","","Djukic, Jean-Pierre; Parkhomenko, Ksenia; Hijazi, Akram; Chemmi, Atika; Allouche, Lionel; Brelot, Lydia; Pfeffer, Michel; Ricard, Louis; Le Goff, Xavier-Frédéric","μ-Chlorido, μ-hydroxo-bridged dicarbonyl ruthenacycles: synthesis, structure and catalytic properties in hydrogen atom transfer","Dalton Transactions","2009","","15","2695","2711","10.1039/b820426h","","x-ray","0.71069","MoKα","","0.0361","0.0338","","","0.0969","0.0984","","","","","","1.045","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7000979","8.5119","0.0007","18.2877","0.0015","22.2993","0.0019","90","","90","","90","","3471.2","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(Sp,Sp)-2,2''-Bis(diphenylphosphino)-1,1''-biferrocene","(Sp,Sp)-2,2""-Bis(diphenylphosphino)-1,1""-biferrocene","","- C44 H36 Fe2 P2 -","- C44 H36 Fe2 P2 -","- C176 H144 Fe8 P8 -","4","1","","Espino, Gustavo; Xiao, Li; Puchberger, Michael; Mereiter, Kurt; Spindler, Felix; Manzano, Blanca R.; Jalón, Félix A.; Weissensteiner, Walter","Synthesis, coordination behaviour, structural features and use in asymmetric hydrogenations of bifep-type biferrocenes","Dalton Transactions","2009","","15","2751","2763","10.1039/b816544k","","","0.71073","MoKα","","0.0519","0.0472","","","0.104","0.1064","","","","","","1.108","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7000981","13.883","0.003","15.914","0.003","26.242","0.005","90","","90","","90","","5798","2","297","2","297","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","compound (11)","Dichloro-{(Sp,Sp)-[2-bis(3,5-dimethyl-4-methoxyphenyl)phosphino- κP-2""-bis[3,5-bis(trifluoromethyl)phenyl]phosphino-κP-1,1""- biferrocene]} palladium(II), solvate with disordered diethyl ether and/or dichloromethane.","","- C54 H44 Cl2 F12 Fe2 O2 P2 Pd -","- C54 H44 Cl2 F12 Fe2 O2 P2 Pd -","- C216 H176 Cl8 F48 Fe8 O8 P8 Pd4 -","4","1","","Espino, Gustavo; Xiao, Li; Puchberger, Michael; Mereiter, Kurt; Spindler, Felix; Manzano, Blanca R.; Jalón, Félix A.; Weissensteiner, Walter","Synthesis, coordination behaviour, structural features and use in asymmetric hydrogenations of bifep-type biferrocenes","Dalton Transactions","2009","","15","2751","2763","10.1039/b816544k","","","0.71073","MoKα","","0.062","0.041","","","0.0961","0.1091","","","","","","1.063","","","","has coordinates","179687","2020-10-21","18:00:00",""
"7000987","9.5023","0.0019","15.218","0.003","15.758","0.003","90","","90","","90","","2278.7","0.8","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- B12 Cl12 N2 O4 S -","- B12 Cl12 N2 O4 S -","- B48 Cl48 N8 O16 S4 -","4","1","","Geis, Vanessa; Guttsche, Kristin; Knapp, Carsten; Scherer, Harald; Uzun, Rabiya","Synthesis and characterization of synthetically useful salts of the weakly-coordinating dianion [B12Cl12]2−","Dalton Transactions","2009","","15","2687","2694","10.1039/b821030f","","","0.71073","MoKα","","0.0375","0.0331","","","0.0706","0.0736","","","","","","1.109","","","","has coordinates,has disorder","179687","2020-10-21","18:00:00",""
"7001069","13.9708","0.0011","17.5801","0.0014","62.865","0.005","90","","90","","90","","15440","2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C132 H96 O12 P6 Pd6 -","- C132 H96 O12 P6 Pd6 -","- C528 H384 O48 P24 Pd24 -","4","1","","Koshevoy, Igor O.; Gutierrez-Puebla, Enrique; Lahuerta, Pascual; Monge, Angeles; Ubeda, M.Angeles; Sanaú, Mercedes","Isolation of enantiomerically pure organometallic palladium compounds: synthesis of the triangles prepared from enantiopure [cis-Pd2(C6H4PPh2)2(NCCH3)4]2+","Dalton Transactions","2009","","16","2993","2998","10.1039/b816803b","","","0.71073","MoKα","","0.1401","0.119","","","0.2648","0.2753","","","","","","1.158","","","","has coordinates","179688","2020-10-21","18:00:00",""
"7001118","11.2483","0.0003","13.6694","0.0004","34.263","0.0009","90","","90","","90","","5268.2","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tris(mu!2$-methoxido)-bis(hapto$6!-p-cymene)-di-osmium(ii) hexafluorophosphate","Tris(mu~2~-methoxido)-bis(hapto^6^-p-cymene)- di-osmium(II) hexafluorophosphate","","- C23 H37 F6 O3 Os2 P -","- C23 H37 F6 O3 Os2 P -","- C184 H296 F48 O24 Os16 P8 -","8","2","","Grguric-Sipka, Sanja; Stepanenko, Iryna N.; Lazic, Jelena M.; Bartel, Caroline; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K.","Synthesis, X-ray diffraction structure, spectroscopic properties and antiproliferative activity of a novel ruthenium complex with constitutional similarity to cisplatin","Dalton Transactions","2009","","17","3334","3339","10.1039/b822725j","","","0.71073","MoKα","","0.0251","0.0228","","","0.0483","0.0489","","","","","","0.993","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001147","14.8738","0.0009","16.575","0.001","19.6092","0.0012","90","","90","","90","","4834.3","0.5","115","","115","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","(Au(N$C!N)Cl(PPh3)2)(PF6)","","","- C53 H43 Au Cl3 F6 N2 P3 -","- C53 H43 Au Cl3 F6 N2 P3 -","- C212 H172 Au4 Cl12 F24 N8 P12 -","4","1","","Stoccoro, Sergio; Alesso, Giuseppe; Cinellu, Maria Agostina; Minghetti, Giovanni; Zucca, Antonio; Manassero, Mario; Manassero, Carlo","Reactivity of 1,3-bis(2-pyridyl)benzene, N⁁CH⁁N, with gold(iii) chlorides: salts, adducts and cyclometalated pincer derivatives. Crystal and molecular structures of [HN⁁CH⁁N][AuCl4], [Au(N⁁C⁁N)Cl][PF6] and [Au(N⁁C⁁N)Cl(PPh3)2][PF6]","Dalton Transactions","2009","","18","3467","3477","10.1039/b822842f","","","0.71073","Mo-Kα","","0.034","0.034","","","0.043","","","","0.949","0.949","0.949","","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001159","8.3349","0.0007","9.6066","0.0008","31.311","0.003","90","0.002","90","0.002","90","0.002","2507.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl N6 O -","- C28 H23 Cl N6 O -","- C112 H92 Cl4 N24 O4 -","4","1","","Lu, Zhengliang; Ladrak, Tim; Roubeau, Olivier; van der Toorn, John; Teat, Simon J.; Massera, Chiara; Gamez, Patrick; Reedijk, Jan","Selective, catalytic aerobic oxidation of alcohols using CuBr2 and bifunctional triazine-based ligands containing both a bipyridine and a TEMPO group","Dalton Transactions","2009","","18","3559","3570","10.1039/b820554j","","","0.71073","MoKα","","0.0984","0.0518","","","0.1139","0.126","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7001168","19.0805","0.0004","20.0091","0.0008","20.5906","0.0008","90","","90","","90","","7861.2","0.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C68 H65 F9 K N13 O13 S3 U2 -","- C68 H65 F9 K N13 O13 S3 U2 -","- C272 H260 F36 K4 N52 O52 S12 U8 -","4","1","","Berthet, Jean-Claude; Siffredi, Gérald; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of pentavalent uranyl complexes. The remarkable stability of UO2X (X = I, SO3CF3) in non-aqueous solutions","Dalton Transactions","2009","","18","3478","3494","10.1039/b820659g","","","0.71073","MoKα","","0.0449","0.0335","","","0.0691","0.0721","","","","","","0.993","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001169","19.1433","0.0005","19.9724","0.0005","20.6551","0.0007","90","","90","","90","","7897.2","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C68 H65 F9 N13 O13 S3 Tl U2 -","- C68 H65 F9 N13 O13 S3 Tl U2 -","- C272 H260 F36 N52 O52 S12 Tl4 U8 -","4","1","","Berthet, Jean-Claude; Siffredi, Gérald; Thuéry, Pierre; Ephritikhine, Michel","Synthesis and crystal structure of pentavalent uranyl complexes. The remarkable stability of UO2X (X = I, SO3CF3) in non-aqueous solutions","Dalton Transactions","2009","","18","3478","3494","10.1039/b820659g","","","0.71073","MoKα","","0.0389","0.0301","","","0.0611","0.0636","","","","","","1.014","","","","has coordinates","179708","2020-10-21","18:00:00",""
"7001237","9.9121","0.0003","15.1031","0.0004","22.4411","0.0006","90","","90","","90","","3359.51","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 Cl2 O3 P2 Pd -","- C33 H40 Cl2 O3 P2 Pd -","- C132 H160 Cl8 O12 P8 Pd4 -","4","1","","Yuan, Mingjun; Pullarkat, Sumod A.; Yeong, Crystal Huixian; Li, Yongxin; Krishnan, Deepa; Leung, Pak-Hing","Controllable synthesis of P-chiral 1,2- and 1,3-diphosphines via asymmetric Diels‒Alder reactions involving functionalized allylic phosphines as dienophiles","Dalton Transactions","2009","","19","3668","3670","10.1039/b904090k","","","0.71073","MoKα","","0.0482","0.0415","","","0.1003","0.1068","","","","","","1.147","","","","has coordinates,has disorder","179709","2020-10-21","18:00:00",""
"7001238","8.8932","0.0002","15.1804","0.0003","20.1229","0.0004","90","","90","","90","","2716.64","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cl2 O2 P2 Pd -","- C29 H30 Cl2 O2 P2 Pd -","- C116 H120 Cl8 O8 P8 Pd4 -","4","1","","Yuan, Mingjun; Pullarkat, Sumod A.; Yeong, Crystal Huixian; Li, Yongxin; Krishnan, Deepa; Leung, Pak-Hing","Controllable synthesis of P-chiral 1,2- and 1,3-diphosphines via asymmetric Diels‒Alder reactions involving functionalized allylic phosphines as dienophiles","Dalton Transactions","2009","","19","3668","3670","10.1039/b904090k","","","0.71073","MoKα","","0.0259","0.022","","","0.0515","0.0633","","","","","","1.141","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001240","8.5104","0.0001","8.8078","0.0002","23.3727","0.0005","90","","90","","90","","1751.97","0.06","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Fe O5 -","- C18 H22 Fe O5 -","- C72 H88 Fe4 O20 -","4","1","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family","Dalton Transactions","2009","","19","3716","3730","10.1039/b822735g","","","0.71073","MoKα","","0.0573","0.0373","","","0.0717","0.0778","","","","","","1.022","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001243","10.1788","0.0003","13.0739","0.0004","17.6425","0.0008","90","","90","","90","","2347.8","0.15","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Fe O2 Si -","- C27 H28 Fe O2 Si -","- C108 H112 Fe4 O8 Si4 -","4","1","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family","Dalton Transactions","2009","","19","3716","3730","10.1039/b822735g","","","0.71073","MoKα","","0.0925","0.0526","","","0.0951","0.1062","","","","","","1.005","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001245","6.0629","0.0001","16.3389","0.0003","20.37","0.0006","90","","90","","90","","2017.87","0.08","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Fe N O -","- C23 H27 Fe N O -","- C92 H108 Fe4 N4 O4 -","4","1","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family","Dalton Transactions","2009","","19","3716","3730","10.1039/b822735g","","","0.71073","MoKα","","0.0849","0.0479","","","0.086","0.0964","","","","","","1.004","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001246","10.155","0.001","13.06","0.001","17.63","0.001","90","","90","","90","","2338.2","0.3","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Fe O2 Si -","- C27 H28 Fe O2 Si -","- C108 H112 Fe4 O8 Si4 -","4","1","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family","Dalton Transactions","2009","","19","3716","3730","10.1039/b822735g","","","0.71073","MoKα","","0.0509","0.036","","","0.0659","0.0702","","","","","","1.038","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001253","7.938","0.001","9.716","0.001","17.68","0.001","90","","90","","90","","1363.6","0.2","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Fe I O2 -","- C14 H15 Fe I O2 -","- C56 H60 Fe4 I4 O8 -","4","1","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Selective synthesis of the 2-hydroxyferrocene-aldimine enantiomers—extended planar chiral analogues of the “flat” salicylaldimine ligand family","Dalton Transactions","2009","","19","3716","3730","10.1039/b822735g","","","0.71073","MoKα","","0.0215","0.0205","","","0.0479","0.0485","","","","","","1.032","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001273","14.828","0.001","17.78","0.001","23.866","0.001","90","","90","","90","","6292.1","0.6","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C69 H78 Fe3 Li3 N3 O3 -","- C69 H78 Fe3 Li3 N3 O3 -","- C276 H312 Fe12 Li12 N12 O12 -","4","1","","Niemeyer, Jochen; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Bis(“ferrocene-saliminato”) group 4 metal complexes: synthesis, structural features and use in homogenous Ziegler‒Natta polymerization catalysis","Dalton Transactions","2009","","19","3731","3741","10.1039/b822741a","","","0.71073","MoKα","","0.0817","0.0458","","","0.0754","0.0843","","","","","","1.011","","","","has coordinates","179709","2020-10-21","18:00:00",""
"7001283","9.1961","0.0002","11.0473","0.0003","22.9704","0.0005","90","","90","","90","","2333.61","0.1","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(η^4^-cycloocta-1,5-diene){(R)-N-(4-methoxphenyl)ethyl-2-oxo-1- naphthaldiminato-K^2^N,O}rhodium(I)","","- C28 H30 N O2 Rh -","- C28 H30 N O2 Rh -","- C112 H120 N4 O8 Rh4 -","4","1","","Janiak, Christoph; Chamayou, Anne-Christine; Royhan Uddin, A. K. M.; Uddin, Mohammad; Hagen, Karl S.; Enamullah, Mohammed","Polymorphs, enantiomorphs, chirality and helicity in [Rh{N,O}(η4-cod)] complexes with {N,O} = salicylaldiminato Schiff base or aminocarboxylato ligands","Dalton Transactions","2009","","19","3698","3709","10.1039/b820072f","","","0.71073","MoKα","","0.017","0.0165","","","0.0442","0.0449","","","","","","1.088","","","","has coordinates","209592","2020-10-21","18:00:00",""
"7001351","17.363","0.003","20.18","0.003","20.91","0.003","90","","90","","90","","7327","2","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 Cl2 N4 O2 P2 Rh2 -","- C35 H42 Cl2 N4 O2 P2 Rh2 -","- C280 H336 Cl16 N32 O16 P16 Rh16 -","8","2","","Hounjet, Lindsay J.; Bierenstiel, Matthias; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","Mono- and binuclear complexes of rhodium involving a new series of hemilabile o-phosphinoaniline ligands","Dalton Transactions","2009","","21","4213","4226","10.1039/b822170g","","","0.71073","MoKα","","0.0578","0.0424","","","0.091","0.098","","","","","","1.053","","","","has coordinates","179710","2020-10-21","18:00:00",""
"7001439","8.0449","0.0002","14.4543","0.0003","22.8301","0.0005","90","","90","","90","","2654.76","0.1","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 Cu Fe N3 O6 -","- C22 H37 Cu Fe N3 O6 -","- C88 H148 Cu4 Fe4 N12 O24 -","4","1","","Kühnert, J.; Rüffer, T.; Ecorchard, P.; Bräuer, B.; Lan, Y.; Powell, A. K.; Lang, H.","Reaction chemistry of 1,1′-ferrocene dicarboxylate towards M(ii) salts (M = Co, Ni, Cu): solid-state structure and electrochemical, electronic and magnetic properties of bi- and tetrametallic complexes and coordination polymers","Dalton Transactions","2009","","23","4499","4508","10.1039/b821407g","","","0.71073","MoKα","","0.0736","0.0593","","","0.1821","0.1877","","","","","","1.072","","","","has coordinates","179712","2020-10-21","18:00:00",""
"7001478","6.8006","0.0002","16.5995","0.0003","20.8751","0.0005","90","","90","","90","","2356.52","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Mo N2 O4 Si2 -","- C22 H24 Mo N2 O4 Si2 -","- C88 H96 Mo4 N8 O16 Si8 -","4","1","","Fedushkin, Igor L.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Khvoinova, Nalalie M.; Piskunov, Alexander V.; Nikipelov, Alexander S.; Fukin, Georgy K.; Lysenko, Konstantin A.; Irran, Elisabeth; Schumann, Herbert","1,2-Bis(imino)acenaphthene complexes of molybdenum and nickel","Dalton Transactions","2009","","24","4689","4694","10.1039/b902709b","","","0.71073","MoKα","","0.0394","0.0305","","","0.0469","0.0487","","","","","","0.969","","","","has coordinates","179712","2020-10-21","18:00:00",""
"7001579","9.2599","0.0005","12.7434","0.0006","19.1876","0.001","90","","90","","90","","2264.2","0.2","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis-(4-ammoniobutyrato-O,O')pentachloro-aquadirhenium(iii) chloride, dihydrate","bis-(4-ammoniobutyrato-O,O')pentachloro-aquadirhenium(III) chloride, dihydrate","","- C8 H24 Cl6 N2 O7 Re2 -","- C8 H24 Cl6 N2 O7 Re2 -","- C32 H96 Cl24 N8 O28 Re8 -","4","1","","Shtemenko, Alexander V.; Collery, Philippe; Shtemenko, Natalia I.; Domasevitch, Konstantin V.; Zabitskaya, Elena D.; Golichenko, Alexander A.","Synthesis, characterization, in vivo antitumor properties of the cluster rhenium compound with GABA ligands and its synergism with cisplatin","Dalton Transactions","2009","","26","5132","5136","10.1039/b821041a","","","0.71073","MoKα","","0.0205","0.0174","","","0.0345","0.0348","","","","","","0.991","","","","has coordinates","208202","2020-10-21","18:00:00",""
"7001630","8.709","0.003","13.44","0.004","18.81","0.003","90","","90","","90","","2201.7","1.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Ag Cl N4 O4 -","- C22 H26 Ag Cl N4 O4 -","- C88 H104 Ag4 Cl4 N16 O16 -","4","1","","Halder, Partha; Zangrando, Ennio; Paine, Tapan Kanti","Self-assembly of silver(i) and bis-bidentate N,N-donor ligands: from a tetranuclear complex to coordination polymers","Dalton Transactions","2009","","27","5386","5394","10.1039/b900581a","","","0.71073","MoKα","","0.0379","0.0304","","","0.0589","0.0617","","","","","","1.063","","","","has coordinates","179714","2020-10-21","18:00:00",""
"7001652","8.972","0.0008","12.1156","0.001","12.9035","0.001","90","","90","","90","","1402.6","0.2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Chloro-(bis-dimethylhydrazino)-phenylsilane","","","- C10 H19 Cl N4 Si -","- C10 H19 Cl N4 Si -","- C40 H76 Cl4 N16 Si4 -","4","1","","Gronde, Ingo; Neumann, Beate; Willner, Alexander; Pape, Tania; Mitzel, Norbert W.","Syntheses and structures of (N′,N′-dimethylhydrazido)silanes","Dalton Transactions","2009","","27","5300","5309","10.1039/b900293f","","","1.54186","CuKα","","0.0528","0.0451","","","0.1093","0.1154","","","","","","1.007","","","","has coordinates","179714","2020-10-21","18:00:00",""
"7001712","8.7396","0.0002","12.2836","0.0002","15.3536","0.0003","90","","90","","90","","1648.27","0.06","120","0.2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Ag F6 N3 O P S -","- C13 H13 Ag F6 N3 O P S -","- C52 H52 Ag4 F24 N12 O4 P4 S4 -","4","1","","Qureshi, Naseem; Yufit, Dmitry S.; Howard, Judith A. K.; Steed, Jonathan W.","Ion-pair binding by mixed N,S-donor 2-ureidopyridine ligands","Dalton Transactions","2009","","29","5708","","10.1039/b905555j","","","0.71073","Mo-Kα","","0.0272","0.0255","","","0.0603","0.0615","","","","","","0.979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7001727","10.455","0.002","17.266","0.004","17.588","0.004","90","","90","","90","","3174.9","1.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 N6 Si Sn -","- C33 H36 N6 Si Sn -","- C132 H144 N24 Si4 Sn4 -","4","1","","Armbruster, Felix; Fernández, Ignacio; Breher, Frank","Syntheses, structures, and reactivity of poly(pyrazolyl)silanes, -disilanes, and the ambidentate κ1Si/κ3N-coordinating tris(3,5-dimethylpyrazolyl)silanide ligand [Si(3,5-Me2pz)3]− (MeTpsd)","Dalton Transactions","2009","","29","5612","5626","10.1039/b906333a","","","0.71073","MoKα","","0.0494","0.0396","","","0.0811","0.0875","","","","","","1.029","","","","has coordinates","209596","2020-10-21","18:00:00",""
"7001732","10.8824","0.0006","14.4357","0.0014","16.9846","0.0009","90","","90","","90","","2668.2","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H47 Al3 La N3 -","- C17 H47 Al3 La N3 -","- C68 H188 Al12 La4 N12 -","4","1","","Venugopal, Ajay; Kamps, Ina; Bojer, Daniel; Berger, Raphael J. F.; Mix, Andreas; Willner, Alexander; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Neutral ligand induced methane elimination from rare-earth metal tetramethylaluminates up to the six-coordinate carbide state","Dalton Transactions","2009","","29","5755","","10.1039/b905271b","","","0.71073","MoKα","","0.0283","0.0197","","","0.0332","0.0352","","","","","","1.026","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001788","20.3537","0.0016","23.2645","0.0014","26.0995","0.0018","90","","90","","90","","12358.6","1.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C87 H156 Fe6 Li5 N4 O39 P6 -","- C87 H156 Fe6 Li5 N4 O39 P6 -","- C348 H624 Fe24 Li20 N16 O156 P24 -","4","1","","Khanra, Sumit; Helliwell, Madeleine; Tuna, Floriana; McInnes, Eric J. L.; Winpenny, Richard E. P.","Synthesis, structural characterisation and magnetic studies of polymetallic iron phosphonate cages","Dalton Transactions","2009","","31","6166","","10.1039/b903600h","","","0.71073","MoKα","","0.1526","0.1019","","","0.2468","0.2924","","","","","","1.111","","","","has coordinates","179715","2020-10-21","18:00:00",""
"7001798","18.418","0.001","19.903","0.001","25.127","0.001","90","","90","","90","","9210.9","0.8","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C134 H72 Cl4 Co N6 Na O6 -","- C134 H72 Cl4 Co N6 Na O6 -","- C536 H288 Cl16 Co4 N24 Na4 O24 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Otsuka, Akihiro; Saito, Gunzi; Lyubovskaya, Rimma N.","Effect of the Co‒C(C60−) bond formation on magnetic properties of the ionic complex {cryptand[2,2,2]·(Na+)}·{CoIITPP·(C60−)}·(C6H4Cl2)2","Dalton Transactions","2009","","32","6416","6420","10.1039/b904293h","","","0.71073","MoKα","","0.055","0.046","","","0.1163","0.1215","","","","","","1.016","","","","has coordinates,has disorder","179715","2020-10-21","18:00:00",""
"7001799","18.66","0.001","20.134","0.001","25.169","0.001","90","","90","","90","","9456","0.8","250","2","250","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C134 H72 Cl4 Co N6 Na O6 -","- C134 H72 Cl4 Co N6 Na O6 -","- C536 H288 Cl16 Co4 N24 Na4 O24 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Otsuka, Akihiro; Saito, Gunzi; Lyubovskaya, Rimma N.","Effect of the Co‒C(C60−) bond formation on magnetic properties of the ionic complex {cryptand[2,2,2]·(Na+)}·{CoIITPP·(C60−)}·(C6H4Cl2)2","Dalton Transactions","2009","","32","6416","6420","10.1039/b904293h","","","0.71073","MoKα","","0.1015","0.0718","","","0.187","0.2078","","","","","","0.991","","","","has coordinates,has disorder","179715","2020-10-21","18:00:00",""
"7001825","9.4358","0.0008","11.4428","0.001","23.1598","0.0017","90","","90","","90","","2500.6","0.4","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 O2 P2 -","- C28 H30 O2 P2 -","- C112 H120 O8 P8 -","4","1","","Robé, Emmanuel; Hegedüs, Csaba; Bakos, József; Daran, Jean-Claude; Gouygou, Maryse","Chiral diphosphinites derived from 2,2-biphosphole as a new class of stereodynamic ligands for enantioselective hydrogenation","Dalton Transactions","2009","","33","6528","6535","10.1039/b900829b","","","0.71073","MoKα","","0.0687","0.058","","","0.1456","0.1529","","","","","","1.09","","","","has coordinates","179716","2020-10-21","18:00:00",""
"7001826","9.4289","0.0007","11.4294","0.0012","23.7723","0.0017","90","","90","","90","","2561.9","0.4","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O2 P2 -","- C29 H32 O2 P2 -","- C116 H128 O8 P8 -","4","1","","Robé, Emmanuel; Hegedüs, Csaba; Bakos, József; Daran, Jean-Claude; Gouygou, Maryse","Chiral diphosphinites derived from 2,2-biphosphole as a new class of stereodynamic ligands for enantioselective hydrogenation","Dalton Transactions","2009","","33","6528","6535","10.1039/b900829b","","","0.71073","MoKα","","0.0366","0.03","","","0.0713","0.0746","","","","","","1.023","","","","has coordinates","179716","2020-10-21","18:00:00",""
"7001978","12.7958","0.0007","16.4449","0.0009","18.4264","0.001","90","","90","","90","","3877.4","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H57 Cl Ir N3 O -","- C41 H57 Cl Ir N3 O -","- C164 H228 Cl4 Ir4 N12 O4 -","4","1","","Dyson, Gavin; Frison, Jean-Cédric; Whitwood, Adrian C.; Douthwaite, Richard E.","Synthesis of rhodium(I) and iridium(I) complexes of chiral N-heterocyclic carbenes and their application to asymmetric transfer hydrogenation","Dalton Transactions","2009","","35","7141","","10.1039/b909290k","","","0.71073","MoKα","","0.0206","0.0186","","","0.0374","0.0377","","","","","","0.973","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7001979","9.3749","0.0006","11.8875","0.0008","51.257","0.004","90","","90","","90","","5712.3","0.7","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 I N3 -","- C31 H34 I N3 -","- C248 H272 I8 N24 -","8","2","","Dyson, Gavin; Frison, Jean-Cédric; Whitwood, Adrian C.; Douthwaite, Richard E.","Synthesis of rhodium(I) and iridium(I) complexes of chiral N-heterocyclic carbenes and their application to asymmetric transfer hydrogenation","Dalton Transactions","2009","","35","7141","","10.1039/b909290k","","","0.71073","MoKα","","0.0491","0.0444","","","0.0884","0.0896","","","","","","1.244","","","","has coordinates","179717","2020-10-21","18:00:00",""
"7001980","13.297","0.003","13.558","0.003","80.44","0.016","90","","90","","90","","14502","5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C152.5 H130 B2 F48 N6 Rh2 -","- C152.5 H130 B2 F48 N6 Rh2 -","- C610 H520 B8 F192 N24 Rh8 -","4","1","","Dyson, Gavin; Frison, Jean-Cédric; Whitwood, Adrian C.; Douthwaite, Richard E.","Synthesis of rhodium(I) and iridium(I) complexes of chiral N-heterocyclic carbenes and their application to asymmetric transfer hydrogenation","Dalton Transactions","2009","","35","7141","","10.1039/b909290k","","","0.71073","MoKα","","0.0716","0.0696","","","0.1611","0.1622","","","","","","1.205","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7002049","12.4645","0.0004","15.7229","0.0004","20.4721","0.0006","90","","90","","90","","4012.1","0.2","180","","180","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 F3 N3 O4 P Pd S -","- C42 H39 F3 N3 O4 P Pd S -","- C168 H156 F12 N12 O16 P4 Pd4 S4 -","4","1","","Abdellah, Ibrahim; Debono, Nathalie; Canac, Yves; Duhayon, Carine; Chauvin, Remi","Atropochiral (C,C)-chelating NHC-ylide ligands: synthesis and resolution of palladium(ii) complexes thereof","Dalton Transactions","2009","","35","7196","","10.1039/b907019b","","","0.71073","MoKα","","0.0441","0.0381","","0.0445","0.041","0.04","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7002051","12.2369","0.0002","16.1127","0.0003","20.5946","0.0004","90","","90","","90","","4060.63","0.13","180","","180","","","","","","","","synthesis as described","9","P 21 21 21","P 2ac 2ab","19","","","","- C43 H41 Cl2 F3 N3 O3 P Pd S -","- C43 H41 Cl2 F3 N3 O3 P Pd S -","- C172 H164 Cl8 F12 N12 O12 P4 Pd4 S4 -","4","1","","Abdellah, Ibrahim; Debono, Nathalie; Canac, Yves; Duhayon, Carine; Chauvin, Remi","Atropochiral (C,C)-chelating NHC-ylide ligands: synthesis and resolution of palladium(ii) complexes thereof","Dalton Transactions","2009","","35","7196","","10.1039/b907019b","","","0.71073","MoKα","","0.0503","0.0317","","","0.063","0.0669","","","","","","0.941","","","","has coordinates","179718","2020-10-21","18:00:00",""
"7002076","7.2573","0.0001","12.3428","0.0001","15.7279","0.0001","90","","90","","90","","1408.83","0.02","153","1","153","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 Cl Ir N2 -","- C13 H22 Cl Ir N2 -","- C52 H88 Cl4 Ir4 N8 -","4","1","","Zinner, Sandra C.; Rentzsch, Christoph F.; Herdtweck, Eberhardt; Herrmann, Wolfgang A.; Kühn, Fritz E.","N-heterocyclic carbenes of iridium(I): ligand effects on the catalytic activity in transfer hydrogenation","Dalton Transactions","2009","","35","7055","","10.1039/b906855d","","","0.71073","MoKα","","0.0151","0.0149","","","0.0373","0.0374","","","","","","1.174","","","","has coordinates","179718","2020-10-21","18:00:00",""
"7002107","9.128","0.001","10.8995","0.0012","18.2374","0.0019","90","","90","","90","","1814.5","0.3","273","8","273","8","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl2 N2 O2 Rh -","- C15 H21 Cl2 N2 O2 Rh -","- C60 H84 Cl8 N8 O8 Rh4 -","4","1","","da Costa, André Pontes; Sanaú, Mercedes; Peris, Eduardo; Royo, Beatriz","Easy preparation of Cp*-functionalized N-heterocyclic carbenes and their coordination to rhodium and iridium","Dalton Transactions","2009","","35","6960","","10.1039/b901195a","","","0.71073","MoKα","","0.0569","0.0377","","","0.0786","0.0859","","","","","","1.018","","","","has coordinates","179719","2020-10-21","18:00:00",""
"7002109","12.203","0.004","14.287","0.005","18.176","0.006","90","","90","","90","","3168.9","1.8","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 Ag Cl3 N2 -","- C30 H42 Ag Cl3 N2 -","- C120 H168 Ag4 Cl12 N8 -","4","1","","Gaillard, Sylvain; Bantreil, Xavier; Slawin, Alexandra M. Z.; Nolan, Steven P.","Synthesis and characterization of IPrMe-containing silver(I), gold(I) and gold(III) complexes","Dalton Transactions","2009","","35","6967","","10.1039/b907109a","","","0.71073","MoKα","","0.0411","0.0387","","","0.094","0.0962","","","","","","1.093","","","","has coordinates","179719","2020-10-21","18:00:00",""
"7002161","8.2181","0.0008","13.3972","0.0013","18.438","0.0018","90","","90","","90","","2030","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","((HB(3,5-(CF3)2Tz)Ag)n","","","- C12 H Ag B F18 N9 -","- C12 H Ag B F18 N9 -","- C48 H4 Ag4 B4 F72 N36 -","4","1","","Kou, Xiaodi; Dias, H. V. Rasika","Carbon monoxide and ethylene complexes of copper and silver supported by a highly fluorinated tris(triazolyl)borate","Dalton Transactions","2009","","36","7529","7536","10.1039/b910805j","","","0.71073","MoKα","","0.0234","0.0232","","","0.0602","0.0604","","","","","","1.082","","","","has coordinates","179719","2020-10-21","18:00:00",""
"7002183","10.1958","0.0001","16.5651","0.0002","22.7112","0.0003","90","","90","","90","","3835.8","0.08","200","","200","","","","","","","","from RMIT University","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H22 Au2 Cl4 F8 P2 -","- C37 H22 Au2 Cl4 F8 P2 -","- C148 H88 Au8 Cl16 F32 P8 -","4","1","","Bennett, Martin A.; Bhargava, Suresh K.; Mirzadeh, Nedaossadat; Privér, Steven H.; Wagler, Jörg; Willis, Anthony C.","Synthesis and interconversions of digold(i), tetragold(i), digold(ii), gold(i)‒gold(iii) and digold(iii) complexes of fluorine-substituted aryl carbanions","Dalton Transactions","2009","","36","7537","7551","10.1039/b906769h","","","0.71073","MoKα","","0.0332","0.0261","","0.0333","0.0302","0.0302","","","","","","1.1014","","","","has coordinates","179719","2020-10-21","18:00:00",""
"7002205","11.559","0.002","15.852","0.003","30.32","0.005","90","","90","","90","","5555.6","1.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H60 Cu N26 O30 -","- C36 H36 Cu N26 O30 -","- C144 H144 Cu4 N104 O120 -","4","1","","Liu, Jing-Xin; Dong, Chun-Hong; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","From 1D zigzag chain to 1D tubular structure, weak field ligand-dependent assembly of cucurbit[6]uril-based tubular coordination polymer","Dalton Transactions","2009","","36","7344","7346","10.1039/b904041b","","","0.71073","MoKα","","0.0599","0.0552","","","0.1409","0.1454","","","","","","1.057","","","","has coordinates,has disorder","179720","2020-10-21","18:00:00",""
"7002228","14.495","0.003","16.679","0.003","21.684","0.004","90","","90","","90","","5242.4","1.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56.5 H61 Cl4 N2 O3 P Pd -","- C56.5 H61 Cl4 N2 O3 P Pd -","- C226 H244 Cl16 N8 O12 P4 Pd4 -","4","1","","Bedford, Robin B.; Dumycz, Helena; Haddow, Mairi F.; Pilarski, Lukasz T.; Orpen, A. Guy; Pringle, Paul G.; Wingad, Richard L.","Chiral triaryl phosphite-based palladacycles and platinacycles: synthesis and application to asymmetric Lewis acid catalysis","Dalton Transactions","2009","","37","7796","7804","10.1039/b907333g","","","0.71073","MoKα","","0.0344","0.0329","","","0.0879","0.0891","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7002254","10.7834","0.0016","14.3514","0.0016","21.382","0.003","90","","90","","90","","3309","0.8","170","2","170","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H50 F4 Ir N O4 P2 -","- C29 H50 F4 Ir N O4 P2 -","- C116 H200 F16 Ir4 N4 O16 P8 -","4","1","","Salomon, Marcel Ahijado; Jungton, Ann-Katrin; Braun, Thomas","Activation of ethylene and ammonia at iridium: C‒H versus N‒H oxidative addition","Dalton Transactions","2009","","37","7669","7677","10.1039/b906189d","","","0.71073","MoKα","","0.0215","0.0158","","","0.0272","0.0276","","","","","","0.915","","","","has coordinates","179720","2020-10-21","18:00:00",""
"7002317","9.115","0.006","15.739","0.011","25.528","0.017","90","","90","","90","","3662","4","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 Cl2 Mn N4 -","- C34 H36 Cl2 Mn N4 -","- C136 H144 Cl8 Mn4 N16 -","4","1","","Rich, Jordi; Rodríguez, Montserrat; Romero, Isabel; Vaquer, Lydia; Sala, Xavier; Llobet, Antoni; Corbella, Montserrat; Collomb, Marie-Noëlle; Fontrodona, Xavier","Mn(ii) complexes containing the polypyridylic chiral ligand (−)-pinene[5,6]bipyridine. Catalysts for oxidation reactions","Dalton Transactions","2009","","38","8117","8126","10.1039/b906435d","","","0.71073","MoKα","","0.2524","0.0885","","","0.1897","0.2396","","","","","","0.893","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7002319","8.953","0.007","12.691","0.01","31.31","0.02","90","","90","","90","","3558","5","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 Mn N6 O9 -","- C34 H38 Mn N6 O9 -","- C136 H152 Mn4 N24 O36 -","4","1","","Rich, Jordi; Rodríguez, Montserrat; Romero, Isabel; Vaquer, Lydia; Sala, Xavier; Llobet, Antoni; Corbella, Montserrat; Collomb, Marie-Noëlle; Fontrodona, Xavier","Mn(ii) complexes containing the polypyridylic chiral ligand (−)-pinene[5,6]bipyridine. Catalysts for oxidation reactions","Dalton Transactions","2009","","38","8117","8126","10.1039/b906435d","","","0.71073","MoKα","","0.2931","0.0546","","","0.102","0.1461","","","","","","0.761","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002321","9.34","0.005","18.511","0.009","21.713","0.011","90","","90","","90","","3754","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 F6 Mn N4 O6 S2 -","- C36 H36 F6 Mn N4 O6 S2 -","- C144 H144 F24 Mn4 N16 O24 S8 -","4","1","","Rich, Jordi; Rodríguez, Montserrat; Romero, Isabel; Vaquer, Lydia; Sala, Xavier; Llobet, Antoni; Corbella, Montserrat; Collomb, Marie-Noëlle; Fontrodona, Xavier","Mn(ii) complexes containing the polypyridylic chiral ligand (−)-pinene[5,6]bipyridine. Catalysts for oxidation reactions","Dalton Transactions","2009","","38","8117","8126","10.1039/b906435d","","","0.71073","MoKα","","0.1022","0.0539","","","0.1143","0.1334","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7002322","8.189","0.005","8.755","0.005","26.303","0.015","90","","90","","90","","1885.8","1.9","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cl2 Mn N2 O -","- C17 H20 Cl2 Mn N2 O -","- C68 H80 Cl8 Mn4 N8 O4 -","4","1","","Rich, Jordi; Rodríguez, Montserrat; Romero, Isabel; Vaquer, Lydia; Sala, Xavier; Llobet, Antoni; Corbella, Montserrat; Collomb, Marie-Noëlle; Fontrodona, Xavier","Mn(ii) complexes containing the polypyridylic chiral ligand (−)-pinene[5,6]bipyridine. Catalysts for oxidation reactions","Dalton Transactions","2009","","38","8117","8126","10.1039/b906435d","","","0.71073","MoKα","","0.0563","0.0366","","","0.0865","0.0934","","","","","","1.054","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002330","8.2798","0.0004","14.8063","0.0006","17.2853","0.0007","90","","90","","90","","2119.06","0.16","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl2 N3 O3 V -","- C20 H23 Cl2 N3 O3 V -","- C80 H92 Cl8 N12 O12 V4 -","4","1","","Nilsson, Jessica; Degerman, Eva; Haukka, Matti; Lisensky, George C.; Garribba, Eugenio; Yoshikawa, Yutaka; Sakurai, Hiromu; Enyedy, Eva A.; Kiss, Tamás; Esbak, Hossein; Rehder, Dieter; Nordlander, Ebbe","Bis- and tris(pyridyl)amine-oxidovanadium complexes: Characteristics and insulin-mimetic potential","Dalton Transactions","2009","","38","7902","7911","10.1039/b903456k","","","0.71073","MoKα","","0.055","0.0355","","","0.0721","0.0788","","","","","","1.038","","","","has coordinates","179721","2020-10-21","18:00:00",""
"7002472","8.4062","0.0017","10.862","0.002","30.584","0.006","90","","90","","90","","2792.6","0.9","158","2","158","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","(Pt(9S3)(SbPH3)(Cl))(PF6)","","","- C24 H27 Cl F6 P Pt S3 Sb -","- C24 H27 Cl F6 P Pt S3 Sb -","- C96 H108 Cl4 F24 P4 Pt4 S12 Sb4 -","4","1","","Grant, Gregory J.; Benefield, Desirée A.; VanDerveer, Donald G.","Thiacrown PtII complexes with group 15 donor ligands: pentacoordination in Pt(II) complexes","Dalton Transactions","2009","","40","8605","8615","10.1039/b909875e","","","0.71073","MoKα","","0.0453","0.0399","","","0.0769","0.0804","","","","","","1.077","","","","has coordinates","209611","2020-10-21","18:00:00",""
"7002501","10.6125","0.0001","14.5167","0.0002","24.7377","0.0002","90","","90","","90","","3811.05","0.07","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H56 N2 P4 Pt Te4 -","- C24 H56 N2 P4 Pt Te4 -","- C96 H224 N8 P16 Pt4 Te16 -","4","1","","Robertson, Stuart D.; Ritch, Jamie S.; Chivers, Tristram","Palladium and platinum complexes of tellurium-containing imidodiphosphinate ligands: nucleophilic attack of Li[(PiPr2)(TePiPr2)N] on coordinated 1,5-cyclooctadiene","Dalton Transactions","2009","","40","8582","8592","10.1039/b911490d","","","0.71073","MoKα","","0.0458","0.0343","","","0.0738","0.0795","","","","","","1.027","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7002519","11.6472","0.0003","13.6516","0.0003","17.3088","0.0005","90","","90","","90","","2752.15","0.12","193.1","","193.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 B Cl2 N6 O Ti -","- C27 H23 B Cl2 N6 O Ti -","- C108 H92 B4 Cl8 N24 O4 Ti4 -","4","1","","Nomura, Kotohiro; Hasumi, Shinya; Fujiki, Michiya; Itagaki, Koji","Effect of aryloxo substituents in ethylene polymerisation by tris(pyrazolyl)borate titanium(IV) complexes containing aryloxo ligands of type, TpTiCl2(OAr)","Dalton Transactions","2009","","41","9052","9057","10.1039/b910395c","","","0.71075","MoKα","","","0.0195","","","","0.0609","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7002539","9.19","0.0001","10.1268","0.0001","15.3491","0.0002","90","","90","","90","","1428.47","0.03","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 Cl N2 Pd -","- C12 H21 Cl N2 Pd -","- C48 H84 Cl4 N8 Pd4 -","4","1","","Lin, Ya-Chi; Yu, Kuo-Hsuan; Huang, Shou-Ling; Liu, Yi-Hung; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Alternating ethylene-norbornene copolymerization catalyzed by cationic organopalladium complexes bearing hemilabile bidentate ligands of α-amino-pyridines","Dalton Transactions","2009","","41","9058","9067","10.1039/b912068h","","","0.71073","MoKα","","0.0185","0.0156","","","0.0419","0.0466","","","","","","1.094","","","","has coordinates","179729","2020-10-21","18:00:00",""
"7002609","12.968","0.003","13.049","0.003","22.681","0.005","90","","90","","90","","3838.1","1.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 F6 N6 O6 Pd S2 -","- C29 H30 F6 N6 O6 Pd S2 -","- C116 H120 F24 N24 O24 Pd4 S8 -","4","1","","Strong, Elizabeth T. J.; Price, Jacquelyn T.; Jones, Nathan D.","Modular syntheses of chiral and achiral C,N-chelated Pd(ii)-pyridinylidenes","Dalton Transactions","2009","","42","9123","","10.1039/b915085d","","","0.71073","MoKα","","0.0588","0.0508","","","0.1325","0.1393","","","","","","1.085","","","","has coordinates,has disorder","179730","2020-10-21","18:00:00",""
"7002637","11.0249","0.0005","15.2942","0.0006","18.2787","0.0008","90","","90","","90","","3082.1","0.2","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 Cl3 Cr Fe N7 -","- C27 H35 Cl3 Cr Fe N7 -","- C108 H140 Cl12 Cr4 Fe4 N28 -","4","1","","Zhang, Jun; Li, Aifang; Hor, T. S. Andy","Ligand effect on ethylene trimerisation with [NNN]-heteroscorpionate pyrazolyl Cr(III) catalysts","Dalton Transactions","2009","","42","9327","","10.1039/b909685j","","","0.71073","MoKα","","0.0561","0.0429","","","0.084","0.0882","","","","","","0.994","","","","has coordinates","179730","2020-10-21","18:00:00",""
"7002728","20.07","0.004","10.75","0.002","8.5203","0.0017","90","","90","","90","","1838.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O4 V -","- C19 H20 N2 O4 V -","- C76 H80 N8 O16 V4 -","4","1","","Maurya, Mannar R.; Arya, Aarti; Kumar, Umesh; Kumar, Amit; Avecilla, Fernando; Pessoa, João Costa","Polymer-bound oxidovanadium(IV) and dioxidovanadium(V) complexes: synthesis, characterization and catalytic application for the hydroamination of styrene and vinyl pyridine","Dalton Transactions","2009","","43","9555","9566","10.1039/b912180c","","","0.71073","MoKα","","0.0337","0.0281","","","0.0469","0.0477","","","","","","2.133","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7002729","8.5203","0.0017","10.749","0.002","20.07","0.004","90","","90","","90","","1838.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O4 V -","- C19 H20 N2 O4 V -","- C76 H80 N8 O16 V4 -","4","1","","Maurya, Mannar R.; Arya, Aarti; Kumar, Umesh; Kumar, Amit; Avecilla, Fernando; Pessoa, João Costa","Polymer-bound oxidovanadium(IV) and dioxidovanadium(V) complexes: synthesis, characterization and catalytic application for the hydroamination of styrene and vinyl pyridine","Dalton Transactions","2009","","43","9555","9566","10.1039/b912180c","","","0.71073","MoKα","","0.0307","0.0253","","","0.0599","0.063","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7002784","7.4174","0.0015","12.505","0.003","20.942","0.004","90","","90","","90","","1942.5","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Mo O3 P S -","- C18 H25 Mo O3 P S -","- C72 H100 Mo4 O12 P4 S4 -","4","1","","Adams, Christopher J.; Baber, Angharad; Boonyuen, Supakorn; Connelly, Neil G.; Diosdado, Beatriz E.; Kantacha, Anob; Orpen, A. Guy; Patrón, Elena","Thiolates vs. halides as π-donors: the redox-active alkyne complexes [M(SR)L(η-R′CCR′)L′] {M = Mo or W, L = CO or P(OMe)3, L′ = η-C5H5 and Tp′}","Dalton Transactions","2009","","44","9746","9758","10.1039/b912986c","","","0.71073","MoKα","","0.0533","0.0407","","","0.078","0.0817","","","","","","0.995","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7002785","7.3979","0.0008","12.589","0.0013","21.201","0.002","90","","90","","90","","1974.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 O3 P S W -","- C18 H25 O3 P S W -","- C72 H100 O12 P4 S4 W4 -","4","1","","Adams, Christopher J.; Baber, Angharad; Boonyuen, Supakorn; Connelly, Neil G.; Diosdado, Beatriz E.; Kantacha, Anob; Orpen, A. Guy; Patrón, Elena","Thiolates vs. halides as π-donors: the redox-active alkyne complexes [M(SR)L(η-R′CCR′)L′] {M = Mo or W, L = CO or P(OMe)3, L′ = η-C5H5 and Tp′}","Dalton Transactions","2009","","44","9746","9758","10.1039/b912986c","","","0.71073","MoKα","","0.0343","0.0285","","","0.0575","0.0587","","","","","","0.948","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7002791","10.4157","0.0006","10.5978","0.0006","15.1969","0.0007","90","","90","","90","","1677.49","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Al N3 O -","- C18 H20 Al N3 O -","- C72 H80 Al4 N12 O4 -","4","1","","Peng, Kuo-Fu; Chen, Chi-Tien","Synthesis and catalytic application of aluminium anilido-pyrazolate complexes","Dalton Transactions","2009","","44","9800","9806","10.1039/b905394h","","","0.71073","MoKα","","0.0525","0.0435","","","0.1175","0.1207","","","","","","1","","","","has coordinates","179731","2020-10-21","18:00:00",""
"7002847","8.8981","0.0001","11.8148","0.0002","24.1539","0.0003","90","","90","","90","","2539.28","0.06","200","","200","","","","","","","","from UNSW","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl4 Ir N -","- C25 H28 Cl4 Ir N -","- C100 H112 Cl16 Ir4 N4 -","4","1","","Kennedy, Danielle F.; Nova, Ainara; Willis, Anthony C.; Eisenstein, Odile; Messerle, Barbara A.","The mechanism of N-vinylindole formation via tandem imine formation and cycloisomerisation of o-ethynylanilines","Dalton Transactions","2009","","46","10296","10304","10.1039/b915269e","","","0.71073","MoKα","","0.0177","0.0163","","0.0302","0.0291","0.0302","","","","","","0.9414","","","","has coordinates","179732","2020-10-21","18:00:00",""
"7002918","9.4695","0.0018","14.576","0.003","15.153","0.003","90","","90","","90","","2091.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(4MeDBP)(HTMG)","","","- C20 H37 N3 O -","- C20 H37 N3 O -","- C80 H148 N12 O4 -","4","1","","Janini, Thomas E.; Rakosi, III, Robert; Durr, Christopher B.; Bertke, Jeffrey A.; Bunge, Scott D.","1,1,3,3-Tetramethylguanidine solvated lanthanide aryloxides: pre-catalysts for intramolecular hydroalkoxylation","Dalton Transactions","2009","","47","10601","10608","10.1039/b917377c","","","0.71073","MoKα","","0.0484","0.0376","","","0.104","0.1194","","","","","","0.926","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7002946","10.185","0.001","12.382","0.001","13.107","0.001","90","","90","","90","","1652.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Au Cl P -","- C18 H15 Au Cl P -","- C72 H60 Au4 Cl4 P4 -","4","1","","Kouroulis, K. N.; Hadjikakou, S. K.; Kourkoumelis, N.; Kubicki, M.; Male, L.; Hursthouse, M.; Skoulika, S.; Metsios, A. K.; Tyurin, V. Y.; Dolganov, A. V.; Milaeva, E. R.; Hadjiliadis, N.","Synthesis, structural characterization and in vitro cytotoxicity of new Au(III) and Au(I) complexes with thioamides","Dalton Transactions","2009","","47","10446","10456","10.1039/b909587j","","","0.71073","MoKα","","0.0266","0.0231","","","0.0567","0.0585","","","","","","1.054","","","","has coordinates","209624","2020-10-21","18:00:00",""
"7002979","7.6189","0.0006","15.2824","0.0011","16.6026","0.0012","90","","90","","90","","1933.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Fe -","- C26 H24 Fe -","- C104 H96 Fe4 -","4","1","","Tan, Yong Leng Kelvin; Pigeon, Pascal; Hillard, Elizabeth A.; Top, Siden; Plamont, Marie-Aude; Vessières, Anne; McGlinchey, Michael J.; Müller-Bunz, Helge; Jaouen, Gérard","Synthesis, oxidation chemistry and cytotoxicity studies on ferrocene derivatives of diethylstilbestrol","Dalton Transactions","2009","","48","10871","10881","10.1039/b913570g","","","0.71073","MoKα","","0.0342","0.0322","","","0.0783","0.0794","","","","","","1.048","","","","has coordinates","179733","2020-10-21","18:00:00",""
"7003011","13.0305","0.0012","14.5399","0.0013","17.6901","0.0016","90","","90","","90","","3351.6","0.5","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H47 O P Ru Si -","- C37 H47 O P Ru Si -","- C148 H188 O4 P4 Ru4 Si4 -","4","1","","Rankin, Matthew A; Hesp, Kevin D; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark","Exploring the reactivity of a coordinatively unsaturated Cp*Ru(kappa(2)-P,O) complex with small molecule substrates: application in E-H bond activation (E = H, B, and Si).","Dalton transactions (Cambridge, England : 2003)","2009","","24","4756","4765","10.1039/b903420j","","","0.71073","MoKα","","0.029","0.027","","","0.0695","0.0712","","","","","","1.098","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003030","14.975","0.001","21.708","0.002","22.351","0.002","90","","90","","90","","7265.8","1.1","200","3","200","3","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H72 Cl Fe2 N12 Nb O25 -","- C66 H72 Cl Fe2 N12 Nb O25 -","- C264 H288 Cl4 Fe8 N48 Nb4 O100 -","4","1","","Jurić, Marijana; Perić, Berislav; Brničević, Nevenka; Planinić, Pavica; Pajić, Damir; Zadro, Krešo; Giester, Gerald; Kaitner, Branko","Supramolecular motifs and solvatomorphism within the compounds [M(bpy)3]2[NbO(C2O4)3]Cl·nH2O (M = Fe2+, Co2+, Ni2+, Cu2+ and Zn2+; n = 11, 12). Syntheses, structures and magnetic properties","Dalton Transactions","2008","","6","742","754","10.1039/b707937k","","x-ray","0.71073","MoKα","","0.0817","0.0411","","","0.0818","0.0937","","","","","","0.993","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003032","15.103","0.001","22.075","0.002","22.386","0.003","90","","90","","90","","7463.5","1.3","200","3","200","3","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H72 Cl Co2 N12 Nb O25 -","- C66 H72 Cl Co2 N12 Nb O25 -","- C264 H288 Cl4 Co8 N48 Nb4 O100 -","4","1","","Jurić, Marijana; Perić, Berislav; Brničević, Nevenka; Planinić, Pavica; Pajić, Damir; Zadro, Krešo; Giester, Gerald; Kaitner, Branko","Supramolecular motifs and solvatomorphism within the compounds [M(bpy)3]2[NbO(C2O4)3]Cl·nH2O (M = Fe2+, Co2+, Ni2+, Cu2+ and Zn2+; n = 11, 12). Syntheses, structures and magnetic properties","Dalton Transactions","2008","","6","742","754","10.1039/b707937k","","x-ray","0.71073","MoKα","","0.0803","0.0507","","","0.1102","0.1219","","","","","","1.015","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003034","15.058","0.001","22.039","0.002","22.398","0.002","90","","90","","90","","7433.1","1.1","200","3","200","3","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H72 Cl N12 Nb Ni2 O25 -","- C66 H72 Cl N12 Nb Ni2 O25 -","- C264 H288 Cl4 N48 Nb4 Ni8 O100 -","4","1","","Jurić, Marijana; Perić, Berislav; Brničević, Nevenka; Planinić, Pavica; Pajić, Damir; Zadro, Krešo; Giester, Gerald; Kaitner, Branko","Supramolecular motifs and solvatomorphism within the compounds [M(bpy)3]2[NbO(C2O4)3]Cl·nH2O (M = Fe2+, Co2+, Ni2+, Cu2+ and Zn2+; n = 11, 12). Syntheses, structures and magnetic properties","Dalton Transactions","2008","","6","742","754","10.1039/b707937k","","x-ray","0.71073","MoKα","","0.074","0.0461","","","0.1143","0.127","","","","","","1.037","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003035","15.035","0.001","22.267","0.002","22.538","0.003","90","","90","","90","","7545.4","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H72 Cl Cu2 N12 Nb O25 -","- C66 H72 Cl Cu2 N12 Nb O25 -","- C264 H288 Cl4 Cu8 N48 Nb4 O100 -","4","1","","Jurić, Marijana; Perić, Berislav; Brničević, Nevenka; Planinić, Pavica; Pajić, Damir; Zadro, Krešo; Giester, Gerald; Kaitner, Branko","Supramolecular motifs and solvatomorphism within the compounds [M(bpy)3]2[NbO(C2O4)3]Cl·nH2O (M = Fe2+, Co2+, Ni2+, Cu2+ and Zn2+; n = 11, 12). Syntheses, structures and magnetic properties","Dalton Transactions","2008","","6","742","754","10.1039/b707937k","","x-ray","0.71073","MoKα","","0.1156","0.0538","","","0.1215","0.1457","","","","","","1.009","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003057","10.5823","0.0016","13.135","0.003","13.845","0.002","90","","90","","90","","1924.4","0.6","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Aminophosphorane","P-(N-Adamantyl-1-amino)-2,3,4,5-tetramethylcyclopentadienylidene- dimethylphosphorane","","- C21 H34 N P -","- C21 H34 N P -","- C84 H136 N4 P4 -","4","1","","Petrov, Alex R.; Rufanov, Konstantin A.; Ziemer, Burkhard; Neubauer, Petra; Kotov, Vasily V.; Sundermeyer, Jörg","P-Amino-cyclopentadienylidene-phosphoranes versus P-cyclopentadienyl-iminophosphoranes—tautomeric protic forms of a new bidentate CpPN ligand system","Dalton Transactions","2008","","7","909","915","10.1039/b710419g","","","0.71073","MoKα","","0.0316","0.027","","","0.0611","0.0627","","","","","","0.995","","","","has coordinates","179734","2020-10-21","18:00:00",""
"7003135","10.72","0.0003","13.5827","0.0004","19.0756","0.0008","90","","90","","90","","2777.53","0.16","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Al Cl3 N2 -","- C26 H36 Al Cl3 N2 -","- C104 H144 Al4 Cl12 N8 -","4","1","","Hinchliffe, Alan; Mair, Francis S.; McInnes, Eric J. L.; Pritchard, Robin G.; Warren, John E.","Light group 13 chloride diazadiene complexes: consequences of varying substituent bulk","Dalton Transactions","2008","","2","222","233","10.1039/b712911d","","x-ray","0.71073","MoKα","","0.1142","0.0504","","","0.0731","0.0871","","","","","","0.99","","","","has coordinates","179735","2020-10-21","18:00:00",""
"7003173","9.2574","0.0009","15.161","0.0012","20.5984","0.0017","90","","90","","90","","2891","0.4","145","2","145","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H47 K O9 Si -","- C21 H47 K O9 Si -","- C84 H188 K4 O36 Si4 -","4","1","","Prince, Paul D.; Bearpark, Michael J.; McGrady, G. Sean; Steed, Jonathan W.","Hypervalent hydridosilicates: synthesis, structure and hydride bridging","Dalton Transactions","2008","","2","271","282","10.1039/b713427d","","","0.7107","MoKα","","0.1049","0.0677","","","0.1453","0.1628","","","","","","1.056","","","","has coordinates","179735","2020-10-21","18:00:00",""
"7003178","13.189","0.003","23.155","0.005","24.749","0.005","90","","90","","90","","7558","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 Cl2 Cu N8 O14.5 -","- C34 H29 Cl2 Cu N8 O14.5 -","- C272 H232 Cl16 Cu8 N64 O116 -","8","2","","Amoroso, Angelo J.; Burrows, Miles W.; Coles, Simon J.; Haigh, Robert; Farley, Robert D.; Hursthouse, Michael B.; Jones, Mark; Malik, K. M. Abdul; Murphy, Damien M.","The synthesis and structure of terpyridine-N-oxide complexes of copper(ii) perchlorate","Dalton Transactions","2008","","4","506","513","10.1039/b713444d","","","0.71073","MoKα","","0.1316","0.0627","","","0.1327","0.1558","","","","","","0.99","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7003248","5.3295","0.0005","10.6246","0.0017","17.877","0.002","90","","90","","90","","1012.3","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H9 N2 O3 P Zn -","- C8 H9 N2 O3 P Zn -","- C32 H36 N8 O12 P4 Zn4 -","4","1","","Liu, Li; Zhang, Li-rong; Wang, Xiao-feng; Li, Guang-hua; Liu, Yun-ling; Pang, Wen-qin","Syntheses and structures of two chiral zincophosphite compounds: [Zn(C8H8N2)(HPO3)] and (C6H13N2)[Zn3(C6H12N2)(HPO3)3(H2PO3)]","Dalton Transactions","2008","","15","2009","2014","10.1039/b714778c","","","0.71073","MoKα","","0.1012","0.044","","","0.0698","0.0846","","","","","","0.862","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7003249","9.985","0.002","13.573","0.003","18.444","0.004","90","","90","","90","","2499.6","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H30 N4 O12 P4 Zn3 -","- C12 H30 N4 O12 P4 Zn3 -","- C48 H120 N16 O48 P16 Zn12 -","4","1","","Liu, Li; Zhang, Li-rong; Wang, Xiao-feng; Li, Guang-hua; Liu, Yun-ling; Pang, Wen-qin","Syntheses and structures of two chiral zincophosphite compounds: [Zn(C8H8N2)(HPO3)] and (C6H13N2)[Zn3(C6H12N2)(HPO3)3(H2PO3)]","Dalton Transactions","2008","","15","2009","2014","10.1039/b714778c","","","0.71073","MoKα","","0.0638","0.0526","","","0.1343","0.1402","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7003304","9.002","0.0009","14.9136","0.0014","15.8719","0.0015","90","","90","","90","","2130.8","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H33 B9 N2 S -","- C14 H33 B9 N2 S -","- C56 H132 B36 N8 S4 -","4","1","","Teixidor, F.; Laromaine, A.; Kivekäs, R.; Sillanpää, R.; Viñas, C.; Vespalec, R.; Horáková, H.","Synthesis, reactivity and complexation studies of N,S exo-heterodisubstituted o-carborane ligands. Carborane as a platform to produce the uncommon bidentate chelating (pyridine)N-C-C-C-S(H) motif","Dalton Transactions","2008","","3","345","","10.1039/b715362g","","x-ray","0.71073","Mokα","","0.0618","0.0478","","","0.1156","0.1245","","","","","","1.027","","","","has coordinates","179737","2020-10-21","18:00:00",""
"7003385","12.089","0.0012","21.174","0.002","33.888","0.004","90","","90","","90","","8674.4","1.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- Co3 H54 K2 Na12 O92 Si2 W17 -","- Co3 K2 Na12 O91.1 Si2 W17 -","- Co12 K8 Na48 O364.4 Si8 W68 -","4","1","","Mitchell, Scott G.; Ritchie, Chris; Long, De-Liang; Cronin, Leroy","Isolation of extendable transition metal incorporated polyoxometalate intermediates with structural control","Dalton Transactions","2008","","11","1415","1417","10.1039/b715885h","","","0.71073","MoKα","","0.096","0.0684","","","0.1618","0.1819","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7003394","12.141","0.002","16.274","0.003","26.622","0.005","90","","90","","90","","5260","1.6","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H70 Cl Ga N2 O P2 Pt -","- C56 H70 Cl Ga N2 O P2 Pt -","- C224 H280 Cl4 Ga4 N8 O4 P8 Pt4 -","4","1","","Jones, Cameron; Mills, David P.; Rose, Richard P.; Stasch, Andreas","Synthesis and structural characterisation of group 10 metal(ii) gallyl complexes: analogies with platinum diboration catalysts?","Dalton Transactions","2008","","33","4395","4408","10.1039/b715895e","","","0.71073","MoKα","","0.0508","0.0392","","","0.0665","0.0705","","","","","","1.023","","","","has coordinates","179737","2020-10-21","18:00:00",""
"7003440","13.6324","0.0011","15.6852","0.0013","27.643","0.002","90","","90","","90","","5910.8","0.8","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H74 B20 Cl6 K2 O12 Ti -","- C30 H74 B20 Cl6 K2 O12 Ti -","- C120 H296 B80 Cl24 K8 O48 Ti4 -","4","1","","Ellis, David; McIntosh, Ruaraidh D.; Esquirolea, Susana; Viñas, Clara; Rosair, Georgina M.; Teixidor, Francesc; Welch, Alan J.","New 13-vertex metallacarborane sandwich compounds; synthetic and structural studies","Dalton Transactions","2008","","8","1009","1017","10.1039/b716169g","","","0.71073","MoKα","","0.1086","0.0685","","","0.1659","0.1936","","","","","","1.004","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003454","7.5688","0.0015","17.863","0.004","27.857","0.006","90","","90","","90","","3766.3","1.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 B -","- C21 H33 B -","- C168 H264 B8 -","8","2","","Macdonald, Charles L. B.; Gorden, John D.; Voigt, Andreas; Filipponi, Silvia; Cowley, Alan H.","Group 13 decamethylmetallocenium cations","Dalton Transactions","2008","","9","1161","1176","10.1039/b716220k","","","0.71073","MoKα","","0.1297","0.065","","","0.1398","0.1691","","","","","","1.018","","","","has coordinates","179738","2020-10-21","18:00:00",""
"7003623","7.4667","0.0006","12.8766","0.0009","18.7793","0.0009","90","","90","","90","","1805.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L1CrN3","","","- C17 H23 Cr N6 O4 -","- C17 H23 Cr N6 O4 -","- C68 H92 Cr4 N24 O16 -","4","1","","Song, Yu-Fei; Berry, John F.; Weyhermüller, Thomas; Bill, Eckhard","Bond distances are not always what they appear to be: discovery and un-discovery of the longest Cr(v)N triple bond","Dalton Transactions","2008","","14","1864","1871","10.1039/b717618j","","","0.71073","MoKα","","0.0635","0.0475","","0.0847","0.0796","","","","1.08","1.109","1.109","","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003630","11.968","0.002","12.618","0.002","24.77","0.005","90","","90","","90","","3740.6","1.1","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Co3 O9 P2 -","- C36 H29 Co3 O9 P2 -","- C144 H116 Co12 O36 P8 -","4","1","","Moberg, Viktor; Mottalib, M. Abdul; Sauer, Désirée; Poplavskaya, Yulia; Craig, Donald C.; Colbran, Stephen B.; Deeming, Antony J.; Nordlander, Ebbe","Chiral and achiral phosphine derivatives of alkylidyne tricobalt carbonyl clusters as catalyst precursors for (asymmetric) inter- and intramolecular Pauson‒Khand reactions","Dalton Transactions","2008","","18","2442","2453","10.1039/b717698h","","","0.71073","MoKα","","","0.05","","","","0.066","","","","","","1.24","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7003631","9.803","0.001","16.155","0.002","18.477","0.002","90","","90","","90","","2926.2","0.6","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Co3 O7 P2 -","- C26 H29 Co3 O7 P2 -","- C104 H116 Co12 O28 P8 -","4","1","","Moberg, Viktor; Mottalib, M. Abdul; Sauer, Désirée; Poplavskaya, Yulia; Craig, Donald C.; Colbran, Stephen B.; Deeming, Antony J.; Nordlander, Ebbe","Chiral and achiral phosphine derivatives of alkylidyne tricobalt carbonyl clusters as catalyst precursors for (asymmetric) inter- and intramolecular Pauson‒Khand reactions","Dalton Transactions","2008","","18","2442","2453","10.1039/b717698h","","","0.71073","MoKα","","","0.028","","","","0.033","","","","","","1.09","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003681","7.7396","0.0004","7.7859","0.0004","14.9927","0.0008","90","","90","","90","","903.46","0.08","571","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N O4 -","- C9 H9 N O4 -","- C36 H36 N4 O16 -","4","1","","Padmanabhan, M.; Joseph, James C.; Thirumurugan, A.; Rao, C. N. R.","Maleate‒fumarate conversion and other novel aspects of the reaction of a Co(ii) maleate with pyridine and bipyridine","Dalton Transactions","2008","","21","2809","2811","10.1039/b718623a","","","0.71073","MoKα","","0.0287","0.0271","","","0.0733","0.0743","","","","","","1.061","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003798","11.395","0.005","17.986","0.005","20.001","0.005","90","0.005","90","0.005","90","0.005","4099","2","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 Cl2 O7 P2 Pd -","- C36 H40 Cl2 O7 P2 Pd -","- C144 H160 Cl8 O28 P8 Pd4 -","4","1","","Muñoz-Moreno, Bianca K.; Claver, Carmen; Ruiz, Aurora; Bianchini, Claudio; Meli, Andrea; Oberhauser, Werner","Synthesis of palladium(ii) complexes containing a new α-d-xylofuranose-modified diphosphine and their application as catalyst precursors in the co- and terpolymerization of CO‒ethene and propene","Dalton Transactions","2008","","20","2741","2750","10.1039/b719748a","","","1.54184","CuKα","","0.0574","0.0415","","","0.09","0.0954","","","","","","0.967","","","","has coordinates","179741","2020-10-21","18:00:00",""
"7003813","14.6566","0.0005","18.0175","0.0006","20.3699","0.0007","90","","90","","90","","5379.2","0.3","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H60 B2 F15 O7 Zr2 -","- C50 H60 B2 F15 O7 Zr2 -","- C200 H240 B8 F60 O28 Zr8 -","4","1","","Liu, Fu-Chen; Yang, Chien-Chan; Chen, Shou-Chon; Lee, Gene-Hsian; Peng, Shie-Ming","Novel μ3-oxo complexes prepared from Cp*Zr(BH3R)3 (R = H, CH3) and B(C6F5)3 in diethyl ether","Dalton Transactions","2008","","27","3599","3604","10.1039/b719863a","","","0.71073","MoKα","","0.0481","0.0412","","","0.0868","0.0899","","","","","","1.03","","","","has coordinates,has disorder","179742","2020-10-21","18:00:00",""
"7003843","7.767","0.0004","17.6459","0.001","21.7122","0.0012","90","","90","","90","","2975.8","0.3","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Isopropoylmethyl)anisyltellurium(IV) dichloride","","","- C12 H16 Cl2 O2 Te -","- C12 H16 Cl2 O2 Te -","- C96 H128 Cl16 O16 Te8 -","8","2","","Chauhan, Ashok K. S.; Singh, Puspendra; Srivastava, Ramesh C.; Duthie, Andrew; Voda, Andreea","Acylmethyl(aryl)tellurium(iv,ii) derivatives: intramolecular secondary bonding and steric rigidity","Dalton Transactions","2008","","30","4023","4028","10.1039/b800473k","","","0.71073","MoKα","","0.029","0.0279","","","0.0633","0.0638","","","","","","1.041","","","","has coordinates","179742","2020-10-21","18:00:00",""
"7004048","11.41","0.002","20.324","0.004","21.39","0.004","90","","90","","90","","4960.3","1.6","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C31 H52 B2 Cl2 F8 Ir2 N2 S4 -","- C31 H52 B2 Cl2 F8 Ir2 N2 S4 -","- C124 H208 B8 Cl8 F32 Ir8 N8 S16 -","4","1","","Klerman, Yulie; Ben-Ari, Eyal; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","Pyridine-based SNS-iridium and -rhodium sulfide complexes, including d8‒d8 metal‒metal interactions in the solid state","Dalton Transactions","2008","","24","3226","3234","10.1039/b802223b","","","0.71073","MoKα","","0.0399","0.0354","","","0.0896","0.0915","","","","","","1.088","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7004070","9.4426","0.0007","10.645","0.0008","34.386","0.003","90","","90","","90","","3456.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H26 B11 N -","- C10 H26 B11 N -","- C80 H208 B88 N8 -","8","2","","Dymon, John; Wibby, Ryan; Kleingardner, Jesse; Tanski, Joseph M.; Guzei, Ilia A.; Holbrey, John D.; Larsen, Anna S.","Designing ionic liquids with boron cluster anions: alkylpyridinium and imidazolium [nido-C2B9H11] and [closo-CB11H12] carborane salts","Dalton Transactions","2008","","22","2999","3006","10.1039/b802374c","","","0.71073","Mo-Kα","","0.0375","0.0353","","","0.0962","0.0993","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7004071","9.2643","0.0009","12.1189","0.0014","14.5636","0.0017","90","","90","","90","","1635.1","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H26 B9 N -","- C11 H26 B9 N -","- C44 H104 B36 N4 -","4","1","","Dymon, John; Wibby, Ryan; Kleingardner, Jesse; Tanski, Joseph M.; Guzei, Ilia A.; Holbrey, John D.; Larsen, Anna S.","Designing ionic liquids with boron cluster anions: alkylpyridinium and imidazolium [nido-C2B9H11] and [closo-CB11H12] carborane salts","Dalton Transactions","2008","","22","2999","3006","10.1039/b802374c","","","0.71073","Mo-Kα","","0.0687","0.0496","","","0.104","0.1121","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7004074","10.395","0.003","11.073","0.003","36.007","0.009","90","","90","","90","","4144.5","1.9","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C31 H52 Cl2 F12 N2 O2 Ru Sb2 -","- C31 H52 Cl2 F12 N2 O2 Ru Sb2 -","- C124 H208 Cl8 F48 N8 O8 Ru4 Sb8 -","4","1","","Carmona, Daniel; Lamata, M. Pilar; Viguri, Fernando; Rodríguez, Ricardo; Lahoz, Fernando J.; Dobrinovitch, Isabel T.; Oro, Luis A.","Chiral pyridylamino-ruthenium(ii) complexes: synthesis, structure and catalytic properties in Diels‒Alder reactions","Dalton Transactions","2008","","25","3328","3338","10.1039/B802381F","","","0.71073","MoKα","","0.0702","0.0447","","","0.0591","0.0631","","","","","","0.783","","","","has coordinates","179744","2020-10-21","18:00:00",""
"7004136","6.939","0.002","25.837","0.008","30.52","0.009","90","","90","","90","","5472","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cu N6 O7 -","- C27 H20 Cu N6 O7 -","- C216 H160 Cu8 N48 O56 -","8","2","","Patra, Ashis K.; Bhowmick, Tuhin; Ramakumar, Suryanarayanarao; Nethaji, Munirathinam; Chakravarty, Akhil R.","DNA cleavage in red light promoted by copper(ii) complexes of α-amino acids and photoactive phenanthroline bases","Dalton Transactions","2008","","48","6966","6976","10.1039/b802948b","","","0.71073","MoKα","","0.0953","0.0626","","","0.1508","0.1671","","","","","","1.082","","","","has coordinates","179745","2020-10-21","18:00:00",""
"7004150","7.942","0.0002","9.4016","0.0003","27.8565","0.0008","90","","90","","90","","2079.98","0.1","150","1","150","1","","","","","","","synthesized by the authors","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H31 Cl N4 Ni O7 P2 -","- C12 H31 Cl N4 Ni O7 P2 -","- C48 H124 Cl4 N16 Ni4 O28 P8 -","4","1","","Havlíčková, Jana; Medová, Hana; Vitha, Tomáš; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Coordination properties of cyclam (1,4,8,11-tetraazacyclotetradecane) endowed with two methylphosphonic acid pendant arms in the 1,4-positions","Dalton Transactions","2008","","39","5378","5386","10.1039/b803235a","","","0.71073","MoKα","","0.0473","0.0383","","","0.0826","0.0872","","","","","","1.188","","","","has coordinates","179745","2020-10-21","18:00:00",""
"7004165","6.4037","0.0004","13.2705","0.0008","17.8484","0.001","90","","90","","90","","1516.76","0.16","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H18 Bi N3 O13 S3 -","- C4 H18 Bi N3 O13 S3 -","- C16 H72 Bi4 N12 O52 S12 -","4","1","","Fu, Yunlong; Zhang, Yu; Xu, Zhiwei","Synthesis and structural characterization of four new organically-directed bismuth sulfates","Dalton Transactions","2008","","35","4792","4798","10.1039/b803454k","","","0.71073","MoKα","","0.032","0.025","","","0.0544","0.056","","","","","","1.02","","","","has coordinates,has disorder","179745","2020-10-21","18:00:00",""
"7004179","9.8832","0.0002","15.3216","0.0003","17.2098","0.0003","90","0.005","90","0.005","90","0.005","2606.02","0.09","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 N4 O Si Zr -","- C22 H42 N4 O Si Zr -","- C88 H168 N16 O4 Si4 Zr4 -","4","1","","Gott, Andrew L.; Clarkson, Guy J.; Deeth, Robert J.; Hammond, Max. L.; Morton, Colin; Scott, Peter","Constrained geometry aminooxazolinate ligands giving chiral zirconium guanidinates; catalytic cyclohydroamination","Dalton Transactions","2008","","22","2983","2990","10.1039/b803831g","","","0.71073","MoKα","","0.0342","0.0304","","","0.0638","0.0656","","","","","","1.069","","","","has coordinates","179745","2020-10-21","18:00:00",""
"7004326","7.2411","0.0018","13.163","0.003","15.733","0.007","90","","90","","90","","1499.6","0.8","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 Cl2 N2 Pd -","- C11 H24 Cl2 N2 Pd -","- C44 H96 Cl8 N8 Pd4 -","4","1","","Lee, Jen-Jeh; Yang, Feng-Zhao; Lin, Ya-Fan; Chang, Ya-Chun; Yu, Kuo-Hsuan; Chang, Mu-Chieh; Lee, Gene-Hsiang; Liu, Yi-Hung; Wang, Yu; Liu, Shiuh-Tzung; Chen, Jwu-Ting","Unsymmetrical bidentate ligands of α-aminoaldimines leading to sterically controlled selectivity of geometrical isomerism in square planar coordination","Dalton Transactions","2008","","43","5945","5956","10.1039/b805674a","","","0.71073","MoKα","","0.0489","0.0388","","","0.0794","0.0831","","","","","","1.07","","","","has coordinates,has disorder","179747","2020-10-21","18:00:00",""
"7004413","6.0471","0.0014","16.9379","0.0013","27.476","0.002","90","","90","","90","","2814.2","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cu3 N20 -","- C18 H26 Cu3 N20 -","- C72 H104 Cu12 N80 -","4","1","","Gu, Zhi-Guo; Xu, Yi-Fan; Yin, Xiu-Ju; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Cluster-based copper(ii) coordination polymers with azido bridges and chiral magnets","Dalton Transactions","2008","","41","5593","5602","10.1039/b806619a","","","0.71073","MoKα","","0.0745","0.0536","","","0.1008","0.1052","","","","","","1.04","","","","has coordinates","179748","2020-10-21","18:00:00",""
"7004436","8.409","0.0011","10.5542","0.0014","26.799","0.003","90","","90","","90","","2378.4","0.5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C104 H80 N8 O17 S8 Zn4 -","- C104 H80 N8 O17 S8 Zn4 -","- C104 H80 N8 O17 S8 Zn4 -","1","0.25","","Ren, Peng; Liu, Ming-Li; Zhang, Jun; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","1D, 2D and 3D luminescent zinc(ii) coordination polymers assembled from varying flexible thioether ligands","Dalton Transactions","2008","","35","4711","4713","10.1039/b806964f","","","0.71073","MoKα","","0.1127","0.0443","","","0.0768","0.0949","","","","","","0.981","","","","has coordinates","179748","2020-10-21","18:00:00",""
"7004452","13.207","0.003","17.697","0.004","30.929","0.007","90","","90","","90","","7229","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Co N14 O6 P S -","- C15 H21 Co N14 O6 P S -","- C180 H252 Co12 N168 O72 P12 S12 -","12","3","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran; Pandian, Balasubramanian Murugesa; Boomishankar, Ramamoorthy; Steiner, Alexander","A phosphorus-supported multisite coordination ligand containing three imidazolyl arms and its metalation behaviour. An unprecedented co-existence of mononuclear and macrocyclic dinuclear Zn(ii) complexes in the same unit cell of a crystalline lattice","Dalton Transactions","2008","","43","5962","5969","10.1039/b807074a","","","0.71073","MoKα","","0.1001","0.0945","","","0.2178","0.2233","","","","","","0.967","","","","has coordinates,has disorder","179748","2020-10-21","18:00:00",""
"7004456","12.474","0.0003","13.07","0.0002","17.291","0.0004","90","","90","","90","","2819.04","0.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 F4 Ir N O P2 -","- C24 H42 F4 Ir N O P2 -","- C96 H168 F16 Ir4 N4 O4 P8 -","4","1","","Salomon, Marcel Ahijado; Braun, Thomas; Krossing, Ingo","Iridium derivatives of fluorinated aromatics by C‒H activation: isolation of classical and non-classical hydrides","Dalton Transactions","2008","","38","5197","5206","10.1039/B807077F","","","0.71073","MoKα","","0.0404","0.0318","","","0.0591","0.0618","","","","","","1.035","","","","has coordinates","179748","2020-10-21","18:00:00",""
"7004498","11.836","0.0002","12.632","0.0002","22.379","0.0004","90","","90","","90","","3345.94","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 N2 O11 Os3 -","- C34 H32 N2 O11 Os3 -","- C136 H128 N8 O44 Os12 -","4","1","","Crittall, Matthew R.; Ellul, Charles E.; Mahon, Mary F.; Saker, Olly; Whittlesey, Michael K.","Abnormal coordination of Arduengo's carbene upon reaction with M3(CO)12 (M = Ru, Os)","Dalton Transactions","2008","","32","4209","4211","10.1039/b807923d","","","0.71073","MoKα","","0.062","0.0454","","","0.1015","0.109","","","","","","1.032","","","","has coordinates","179748","2020-10-21","18:00:00",""
"7004527","13.782","0.006","15.196","0.007","36.501","0.017","90","","90","","90","","7644","6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C85 H65 N6 O3 Y -","- C85 H65 N6 O3 Y -","- C340 H260 N24 O12 Y4 -","4","1","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.7107","MoKα","","0.1792","0.1453","","","0.3392","0.365","","","","","","1.165","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004528","13.6374","0.0012","15.0903","0.0014","36.529","0.003","90","","90","","90","","7517.4","1.1","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C92 H73 N6 O3 Yb -","- C92 H73 N6 O3 Yb -","- C368 H292 N24 O12 Yb4 -","4","1","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.7107","MoKα","","0.0665","0.0621","","","0.1517","0.1544","","","","","","1.2","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004529","14.048","0.002","15.095","0.002","36.137","0.006","90","","90","","90","","7663","2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C78 H81 N6 O3 Sm -","- C78 H81 N6 O3 Sm -","- C312 H324 N24 O12 Sm4 -","4","1","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.7107","MoKα","","0.0398","0.0373","","","0.0901","0.0916","","","","","","1.082","","","","has coordinates,has disorder","179749","2020-10-21","18:00:00",""
"7004530","11.787","0.003","13.395","0.003","40.333","0.01","90","","90","","90","","6368","3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H84 N5 O2 Si2 Y -","- C70 H84 N5 O2 Si2 Y -","- C280 H336 N20 O8 Si8 Y4 -","4","1","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.7107","MoKα","","0.061","0.052","","","0.0752","0.0778","","","","","","1.072","","","","has coordinates,has disorder","179749","2020-10-21","18:00:00",""
"7004531","11.7812","0.0005","13.4201","0.0004","40.2693","0.0011","90","","90","","90","","6366.8","0.4","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H84 N5 O2 Si2 Yb -","- C70 H84 N5 O2 Si2 Yb -","- C280 H336 N20 O8 Si8 Yb4 -","4","1","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.7107","MoKα","","0.0499","0.0445","","","0.1157","0.1404","","","","","","1.085","","","","has coordinates,has disorder","179749","2020-10-21","18:00:00",""
"7004533","12.9851","0.0004","19.0596","0.0005","21.8018","0.0006","90","","90","","90","","5395.7","0.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H58 N6 O2 Zr -","- C63 H58 N6 O2 Zr -","- C252 H232 N24 O8 Zr4 -","4","1","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.7107","MoKα","","0.0622","0.0495","","","0.0987","0.104","","","","","","1.058","","","","has coordinates,has disorder","179749","2020-10-21","18:00:00",""
"7004534","13.0138","0.0005","19.3136","0.0008","22.3245","0.001","90","","90","","90","","5611.1","0.4","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H66 N6 O2 Zr -","- C56 H66 N6 O2 Zr -","- C224 H264 N24 O8 Zr4 -","4","1","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.7107","MoKα","","0.0514","0.0482","","","0.1121","0.114","","","","","","1.064","","","","has coordinates,has disorder","179749","2020-10-21","18:00:00",""
"7004536","11.628","0.0009","19.8068","0.0015","20.0566","0.0016","90","","90","","90","","4619.3","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H56 N6 O2 Zr -","- C50 H56 N6 O2 Zr -","- C200 H224 N24 O8 Zr4 -","4","1","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.7107","MoKα","","0.0387","0.0364","","","0.0829","0.0845","","","","","","1.07","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004537","13.8984","0.0004","18.2349","0.0005","26.8816","0.0008","90","","90","","90","","6812.8","0.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H86 N10 O2 Zr3 -","- C76 H86 N10 O2 Zr3 -","- C304 H344 N40 O8 Zr12 -","4","1","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.7107","MoKα","","0.0532","0.0471","","","0.0835","0.0861","","","","","","1.099","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004538","8.2551","0.0019","8.463","0.002","22.725","0.005","90","","90","","90","","1587.6","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.71073","MoKα","","0.0701","0.0398","","","0.0957","0.1146","","","","","","1.075","","","","has coordinates,has disorder","179749","2020-10-21","18:00:00",""
"7004539","14.0617","0.0012","15.1344","0.0013","36.245","0.003","90","","90","","90","","7713.5","1.1","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C85 H89 N6 O3 Y -","- C85 H89 N6 O3 Y -","- C340 H356 N24 O12 Y4 -","4","1","","Zi, Guofu; Wang, Qiuwen; Xiang, Li; Song, Haibin","Lanthanide and group 4 metal complexes with new chiral biaryl-based NNO-donor ligands","Dalton Transactions","2008","","43","5930","5944","10.1039/b808238c","","","0.7107","MoKα","","0.0699","0.0585","","","0.1386","0.1454","","","","","","1.047","","","","has coordinates,has disorder","179749","2020-10-21","18:00:00",""
"7004543","6.325","0.001","10.809","0.001","15.633","0.002","90","","90","","90","","1068.8","0.2","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","O-(Difluoro(pentafluorphenyl)siyl)-N,N-dimethyl-hydroxylamine","O-[Difluoro(pentafluorphenyl)siyl]-N,N-dimethyl-hydroxylamine","","- C8 H6 F7 N O Si -","- C8 H6 F7 N O Si -","- C32 H24 F28 N4 O4 Si4 -","4","1","","Woski, Markus; Berger, Raphael J. F.; Mitzel, Norbert W.","On the presence or absence of geminal Si⋯N interactions (α-effect) in pentafluorophenylsilyl compounds with SiCN, SiNN and SiON backbones","Dalton Transactions","2008","","41","5652","5658","10.1039/b808388f","","","0.71073","MoKα","","0.0802","0.05","","","0.1184","0.1309","","","","","","1.033","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004562","10.3652","0.0004","10.482","0.0005","17.8467","0.0008","90","","90","","90","","1939.01","0.15","100","0.2","100","0.2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cd N4 O4 -","- C20 H22 Cd N4 O4 -","- C80 H88 Cd4 N16 O16 -","4","1","","Ferreirós-Martínez, Raquel; Esteban-Gómez, David; Platas-Iglesias, Carlos; de Blas, Andrés; Rodríguez-Blas, Teresa","Zn(ii), Cd(ii) and Pb(ii) complexation with pyridinecarboxylate containing ligands","Dalton Transactions","2008","","42","5754","5765","10.1039/b808631a","","x-ray","0.71073","MoKα","","0.0248","0.0219","","","0.0455","0.0469","","","","","","1.045","","","","has coordinates","179749","2020-10-21","18:00:00",""
"7004580","8.988","0.001","15.065","0.002","23.42","0.003","90","","90","","90","","3171.2","0.7","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H29 F5 P2 Ru -","- C39 H29 F5 P2 Ru -","- C156 H116 F20 P8 Ru4 -","4","1","","Armitt, David J.; Bruce, Michael I.; Gaudio, Maryka; Zaitseva, Natasha N.; Skelton, Brian W.; White, Allan H.; Le Guennic, Boris; Halet, Jean-François; Fox, Mark A.; Roberts, Rachel L.; Hartl, František; Low, Paul J.","Some transition metal complexes derived from mono- and di-ethynyl perfluorobenzenes","Dalton Transactions","2008","","47","6763","6775","10.1039/b808798a","","","0.71073","MoKα","","0.056","0.048","","","0.067","0.071","","","","1.195","1.195","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7004639","4.9425","0.0005","9.6524","0.0009","15.717","0.0015","90","","90","","90","","749.81","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 N3 O4 -","- C7 H7 N3 O4 -","- C28 H28 N12 O16 -","4","1","","Griffith, Darren; Chopra, Atish; Müller-Bunz, Helge; Marmion, Celine J.","The reduction of platinum(IV) and palladium(IV) ions by 2,6-pyridinedihydroxamic acid","Dalton Transactions","2008","","48","6933","6939","10.1039/b809584a","","","0.71073","MoKα","","0.0355","0.0344","","","0.0941","0.095","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7004679","7.0287","0.0005","13.5297","0.0009","17.5555","0.0012","90","","90","","90","","1669.5","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 Cl8 Nb2 O3 -","- C4 H10 Cl8 Nb2 O3 -","- C16 H40 Cl32 Nb8 O12 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Unusual room temperature activation of 1,2-dialkoxyalkanes by niobium and tantalum pentachlorides","Dalton Transactions","2008","","48","7026","7035","10.1039/b810210d","","","0.71073","MoKα","","0.0144","0.0138","","","0.0325","0.0327","","","","","","1.068","","","","has coordinates","179750","2020-10-21","18:00:00",""
"7004686","14.506","0.002","15.93","0.002","16.866","0.002","90","","90","","90","","3897.4","0.9","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H53 N4 O5 Y3 -","- C37 H53 N4 O5 Y3 -","- C148 H212 N16 O20 Y12 -","4","1","","Venugopal, Ajay; Hepp, Alexander; Pape, Tania; Mix, Andreas; Mitzel, Norbert W.","Rare-earth metal hydroxylamide complexes","Dalton Transactions","2008","","46","6628","6633","10.1039/b810234a","","","0.71073","MoKα","","0.0655","0.0409","","","0.0624","0.0677","","","","","","0.995","","","","has coordinates","179750","2020-10-21","18:00:00",""
"7004809","7.8845","0.0003","10.4605","0.0004","18.8317","0.0007","90","","90","","90","","1553.16","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Cu4 N9 O2 -","- C5 H16 Cu4 N9 O2 -","- C20 H64 Cu16 N36 O8 -","4","1","","Park, Ki-Min; Lee, Sanjina; Kang, Youngjin; Moon, Suk-Hee; Lee, Shim Sung","An unusual anionic copper(i) cyanide 3D framework encapsulating a cationic copper(ii) complex as a guest","Dalton Transactions","2008","","46","6521","6523","10.1039/B814646b","","","0.71073","MoKα","","0.0372","0.0291","","","0.0625","0.0656","","","","","","1.082","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004835","12.264","0.0004","13.959","0.0005","30.07","0.001","90","","90","","90","","5147.8","0.3","150","","150","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C47 H53 B F12 N8 P2 Ru S3 -","- C47 H53 B F12 N8 P2 Ru S3 -","- C188 H212 B4 F48 N32 P8 Ru4 S12 -","4","1","","Bailey, Philip J.; McCormack, Chiara; Parsons, Simon; Rudolphi, Felix; Perucha, Alejandro Sanchez; Wood, Peter","Tripodal borate ligands from tris(dimethylamino)borane: the first synthesis of a chiral tris(methimazolyl)borate ligand, and the crystal structure of a single diastereomer pseudo-C3-symmetric Ru(II) complex.","Dalton transactions (Cambridge, England : 2003)","2007","","4","476","480","10.1039/b611331a","","","0.71073","MoKα","","0.0664","0.0648","","","0.1295","0.13","","","","","","1.346","","","","has coordinates,has disorder","179752","2020-10-21","18:00:00",""
"7004861","9.9079","0.0004","13.2057","0.0004","16.0316","0.0006","90","","90","","90","","2097.59","0.13","173","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H27 B Cl5 P3 Pt -","- C9 H27 B Cl5 P3 Pt -","- C36 H108 B4 Cl20 P12 Pt4 -","4","1","","Charmant, Jonathan P. H.; Fan, Cheng; Norman, Nicholas C.; Pringle, Paul G.","Synthesis and reactivity of dichloroboryl complexes of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2007","","1","114","123","10.1039/b612039n","","x-ray","1.5418","CuKα","","0.0364","0.0333","","","0.0806","0.0823","","","","","","1.044","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004864","6.2473","0.0007","10.8165","0.0011","17.5194","0.0018","90","","90","","90","","1183.9","0.2","173","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 B Cl3 P -","- C8 H11 B Cl3 P -","- C32 H44 B4 Cl12 P4 -","4","1","","Charmant, Jonathan P. H.; Fan, Cheng; Norman, Nicholas C.; Pringle, Paul G.","Synthesis and reactivity of dichloroboryl complexes of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2007","","1","114","123","10.1039/b612039n","","x-ray","0.71074","MoKα","","0.0393","0.0287","","","0.0599","0.0635","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7004872","10.125","0.002","11.154","0.002","16.404","0.003","90","","90","","90","","1852.6","0.6","100","2","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 B Cl2 N P2 Pt -","- C10 H28 B Cl2 N P2 Pt -","- C40 H112 B4 Cl8 N4 P8 Pt4 -","4","1","","Charmant, Jonathan P. H.; Fan, Cheng; Norman, Nicholas C.; Pringle, Paul G.","Synthesis and reactivity of dichloroboryl complexes of platinum(II).","Dalton transactions (Cambridge, England : 2003)","2007","","1","114","123","10.1039/b612039n","","x-ray","0.71074","MoKα","","0.0191","0.019","","","0.0492","0.0493","","","","","","1.071","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004881","6.7769","0.001","10.969","0.0001","31.09","0.0003","90","","90","","90","","2311.1","0.3","273.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 Cl Cu N5 O8 -","- C21 H19 Cl Cu N5 O8 -","- C84 H76 Cl4 Cu4 N20 O32 -","4","1","","Yajima, Tatsuo; Takamido, Reiko; Shimazaki, Yuichi; Odani, Akira; Nakabayashi, Yasuo; Yamauchi, Osamu","Pi-pi stacking assisted binding of aromatic amino acids by copper(II)-aromatic diimine complexes. Effects of ring substituents on ternary complex stability.","Dalton transactions (Cambridge, England : 2003)","2007","","3","299","307","10.1039/b612394e","","","0.71069","MoKα","","","0.0629","","","","0.2048","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7004892","9.846","0.0008","11.252","0.0009","31.761","0.003","90","","90","","90","","3518.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ethoxo(2-oxo-3,5-di-tert-butylbenzaldehyde 2S-(1,1,3- triphenylpropoxo) imine)oxovanadium(V)","","","- C38 H44 N O4 V -","- C38 H44 N O4 V -","- C152 H176 N4 O16 V4 -","4","1","","Hsieh, Sheng-Hsiung; Kuo, Ya-Pei; Gau, Han-Mou","Synthesis, characterization, and structures of oxovanadium(V) complexes of Schiff bases of beta-amino alcohols as tunable catalysts for the asymmetric oxidation of organic sulfides and asymmetric alkynylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2007","","1","97","106","10.1039/b613212j","","","0.71073","MoKα","","0.0696","0.0556","","","0.1556","0.1661","","","","","","1.059","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004894","6.3509","0.0004","19.3947","0.0012","25.8562","0.0016","90","","90","","90","","3184.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ethoxo(2-oxo-3,5-di-tert-butylbenzaldehyde 2S-(1R,3- diphenylpropoxo) imine)oxovanadium(V)","","","- C32 H40 N O4 V -","- C32 H40 N O4 V -","- C128 H160 N4 O16 V4 -","4","1","","Hsieh, Sheng-Hsiung; Kuo, Ya-Pei; Gau, Han-Mou","Synthesis, characterization, and structures of oxovanadium(V) complexes of Schiff bases of beta-amino alcohols as tunable catalysts for the asymmetric oxidation of organic sulfides and asymmetric alkynylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2007","","1","97","106","10.1039/b613212j","","","0.71073","MoKα","","0.0757","0.053","","","0.1367","0.1501","","","","","","1.018","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004895","10.928","0.0008","12.6932","0.001","19.5875","0.0015","90","","90","","90","","2717","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(2-propoxo)(2-oxobenzaldehyde 2S-(1,1,3-triphenylpropoxo) imine)oxovanadium(V)","","","- C31 H30 N O4 V -","- C31 H30 N O4 V -","- C124 H120 N4 O16 V4 -","4","1","","Hsieh, Sheng-Hsiung; Kuo, Ya-Pei; Gau, Han-Mou","Synthesis, characterization, and structures of oxovanadium(V) complexes of Schiff bases of beta-amino alcohols as tunable catalysts for the asymmetric oxidation of organic sulfides and asymmetric alkynylation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2007","","1","97","106","10.1039/b613212j","","","0.71073","MoKα","","0.0699","0.0369","","","0.0807","0.0923","","","","","","0.92","","","","has coordinates","179752","2020-10-21","18:00:00",""
"7004906","11.11","0.001","14.063","0.002","31.033","0.004","90","","90","","90","","4848.6","1","170","","170","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H72 F3 N2 O8 S Yb -","- C43 H72 F3 N2 O8 S Yb -","- C172 H288 F12 N8 O32 S4 Yb4 -","4","1","","Delbridge, Ewan E.; Dugah, Divine T.; Nelson, Chassidy R.; Skelton, Brian W.; White, Allan H.","Synthesis, structure and oxidation of new ytterbium(II) bis(phenolate) compounds and their catalytic activity towards epsilon-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2007","","1","143","153","10.1039/b613409b","","","0.71073","MoKα","","0.054","0.058","","0.062","","0.093","","","1.318","","","1.451","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7004920","11.0425","0.0002","15.4028","0.0003","16.0274","0.0004","90","","90","","90","","2726.03","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 F6 N2 O4 Pd2 -","- C24 H24 F6 N2 O4 Pd2 -","- C96 H96 F24 N8 O16 Pd8 -","4","1","","Bedford, Robin B.; Betham, Michael; Butts, Craig P.; Coles, Simon J.; Cutajar, Marica; Gelbrich, Thomas; Hursthouse, Michael B.; Scully, P. Noelle; Wimperis, Stephen","Five-coordinate Pd(II) orthometallated triarylphosphite complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","4","459","466","10.1039/b613524b","","","0.71073","MoKα","","0.0343","0.0296","","","0.0671","0.0688","","","","","","1.053","","","","has coordinates,has disorder","179753","2020-10-21","18:00:00",""
"7004949","11.392","0.003","14.036","0.003","30.605","0.005","90","","90","","90","","4893.7","1.8","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyclooctadiene-(3,4,7,8-tetramethyl-1,10-phenanthroline,N,N')- iodo-iridium(i) chloromethane solvate","cyclooctadiene-(3,4,7,8-tetramethyl-1,10-phenanthroline,N,N')-iodo-iridium(I) chloromethane solvate","","- C25 H30 Cl2 I Ir N2 -","- C25 H30 Cl2 I Ir N2 -","- C200 H240 Cl16 I8 Ir8 N16 -","8","2","","Crotti, Corrado; Farnetti, Erica; Filipuzzi, Serena; Stener, Mauro; Zangrando, Ennio; Moras, Paolo","Evaluation of the donor ability of phenanthrolines in iridium complexes by means of synchrotron radiation photoemission spectroscopy and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2007","","1","133","142","10.1039/b613837c","","","1.54178","CuKα","","0.0575","0.051","","","0.141","0.16","","","","","","1.13","","","","has coordinates","179753","2020-10-21","18:00:00",""
"7005026","19.588","0.002","20.268","0.002","27.541","0.003","90","","90","","90","","10934","2","299","2","299","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C105 H86 Cl13 Cu6 N19 O3 P2 -","- C105 H86 Cl13 Cu6 N19 O3 P2 -","- C420 H344 Cl52 Cu24 N76 O12 P8 -","4","1","","Mezei, Gellert; Rivera-Carrillo, Marlyn; Raptis, Raphael G.","Trigonal-prismatic CuII6-pyrazolato cages: structural and electrochemical study, evidence of charge delocalisation.","Dalton transactions (Cambridge, England : 2003)","2007","","1","37","40","10.1039/b615018g","","","0.71073","MoKα","","0.0723","0.0392","","","0.0796","0.1012","","","","","","0.979","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7005037","9.154","0.002","10.703","0.003","13.401","0.002","90","","90","","90","","1313","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Cl4 N4 Re -","- C8 H6 Cl4 N4 Re -","- C32 H24 Cl16 N16 Re4 -","4","1","","Chiozzone, Raúl; González, Ricardo; Kremer, Carlos; Cerdá, María Fernanda; Armentano, Donatella; De Munno, Giovanni; Martínez-Lillo, José; Faus, Juan","A novel series of rhenium-bipyrimidine complexes: synthesis, crystal structure and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2007","","6","653","660","10.1039/b615136a","","","0.71073","MoKα","","0.0459","0.0422","","","0.1059","0.1095","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7005038","9.6216","0.0009","10.8583","0.001","13.4431","0.0011","90","","90","","90","","1404.5","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Chiozzone, Raúl; González, Ricardo; Kremer, Carlos; Cerdá, María Fernanda; Armentano, Donatella; De Munno, Giovanni; Martínez-Lillo, José; Faus, Juan","A novel series of rhenium-bipyrimidine complexes: synthesis, crystal structure and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2007","","6","653","660","10.1039/b615136a","","","0.71073","MoKα","","0.0394","0.0299","","","0.0646","0.0671","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7005046","14.064","0.0015","9.473","0.0011","17.359","0.002","90","","90","","90","","2312.7","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H32 Cl2 Cu N4 O12 -","- C14 H32 Cl2 Cu N4 O12 -","- C56 H128 Cl8 Cu4 N16 O48 -","4","1","","Silversides, Jon D.; Allan, Cheryll C.; Archibald, Stephen J.","Copper(II) cyclam-based complexes for radiopharmaceutical applications: synthesis and structural analysis.","Dalton transactions (Cambridge, England : 2003)","2007","","9","971","978","10.1039/b615329a","","","0.71073","MoKα","","0.1522","0.1132","","","0.2791","0.3102","","","","","","1.022","","","","has coordinates","179754","2020-10-21","18:00:00",""
"7005054","7.6143","0.0017","15.539","0.005","31.036","0.01","90","","90","","90","","3672.1","1.9","171.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H44 B N5 Ni O3 -","- C45 H44 B N5 Ni O3 -","- C180 H176 B4 N20 Ni4 O12 -","4","1","","Nagataki, Takayuki; Ishii, Kenta; Tachi, Yoshimitsu; Itoh, Shinobu","Ligand effects on Ni(II)-catalysed alkane-hydroxylation with m-CPBA.","Dalton transactions (Cambridge, England : 2003)","2007","","11","1120","1128","10.1039/b615503k","","","0.71075","MoKα","","","0.026","","","","0.0333","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005147","10.4092","0.0011","18.8544","0.0018","26.636","0.003","90","","90","","90","","5227.6","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H71 O6 P2 Rh -","- C56 H71 O6 P2 Rh -","- C224 H284 O24 P8 Rh4 -","4","1","","Rubio, Miguel; Suárez, Andrés; del Río, Diego; Galindo, Agustín; Alvarez, Eleuterio; Pizzano, Antonio","Rhodium diphosphite pincer complexes. Rare preferred in-plane olefin conformation in square-planar compounds.","Dalton transactions (Cambridge, England : 2003)","2007","","4","407","409","10.1039/b617164h","","","0.71073","MoKα","","0.0421","0.0352","","","0.0717","0.0747","","","","","","1.019","","","","has coordinates","179755","2020-10-21","18:00:00",""
"7005154","8.2995","0.0012","11.9091","0.0016","15.662","0.002","90","","90","","90","","1548","0.4","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl2 Fe N P -","- C14 H18 Cl2 Fe N P -","- C56 H72 Cl8 Fe4 N4 P4 -","4","1","","Tschirschwitz, Steffen; Lönnecke, Peter; Hey-Hawkins, Evamarie","Aminoalkylferrocenyldichlorophosphanes: facile synthesis of versatile chiral starting materials.","Dalton transactions (Cambridge, England : 2003)","2007","","14","1377","1382","10.1039/b617257a","","","0.71073","MoKα","","0.0258","0.0234","","","0.057","0.0583","","","","","","1.06","","","","has coordinates","179755","2020-10-21","18:00:00",""
"7005156","16.0644","0.0016","26.933","0.003","28.661","0.003","90","","90","","90","","12401","2","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C114 H174 Fe6 Li12 N6 O3 P6 -","- C102 H146 Fe6 Li12 N6 O3 P6 -","- C408 H584 Fe24 Li48 N24 O12 P24 -","4","1","","Tschirschwitz, Steffen; Lönnecke, Peter; Hey-Hawkins, Evamarie","Aminoalkylferrocenyldichlorophosphanes: facile synthesis of versatile chiral starting materials.","Dalton transactions (Cambridge, England : 2003)","2007","","14","1377","1382","10.1039/b617257a","","","0.71073","MoKα","","0.0542","0.0379","","","0.0894","0.0921","","","","","","0.804","","","","has coordinates,has disorder","179755","2020-10-21","18:00:00",""
"7005262","10.004","0.005","15.277","0.005","18.573","0.005","90","","90","","90","","2838.5","1.9","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(2,3,5-tri-O-(2-picolyl)-alpha-D-methyl-lyxofuranoside Co(ii)) 2(ClO4)","[2,3,5-tri-O-(2-picolyl)-α-D-methyl-lyxofuranoside Co(II)] 2(ClO4)","","- C24 H27 Cl2 Co N3 O13 -","- C24 H27 Cl2 Co N3 O13 -","- C96 H108 Cl8 Co4 N12 O52 -","4","1","","Cisnetti, Federico; Guillot, Régis; Desmadril, Michel; Pelosi, Giorgio; Policar, Clotilde","Glycoligands and Co(II) glycocomplexes. Investigation of the variation of the sugar-scaffold on the structure and chirality measured by circular dichroism.","Dalton transactions (Cambridge, England : 2003)","2007","","15","1473","1476","10.1039/b618714e","","x-ray","0.71069","MoKα","","0.0363","0.0335","","","0.0841","0.0853","","","","","","1.044","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005264","8.6422","0.0005","17.6321","0.0011","17.8479","0.001","90","","90","","90","","2719.7","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Cl F6 Ir N2 Sb -","- C24 H31 Cl F6 Ir N2 Sb -","- C96 H124 Cl4 F24 Ir4 N8 Sb4 -","4","1","","Daniel Carmona; M. Pilar Lamata; Fernando Viguri; Ricardo Rodríguez; Fernando J. Lahoz; Isabel T. Dobrinovitch; Luis A. Oro","Pentamethylcyclopentadienyl-iridium(iii) complexes with pyridylamino ligands: synthesis and applications as asymmetric catalysts for Diels?Alder reactions","Dalton Transactions","2007","","19","1911","","10.1039/b618720j","","","0.71073","MoKα","","0.036","0.0304","","","0.0543","0.0557","","","","","","0.97","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005265","9.6957","0.0006","14.0751","0.0009","24.621","0.0016","90","","90","","90","","3360","0.4","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 Cl F6 Ir N2 O Sb -","- C29 H42 Cl F6 Ir N2 O Sb -","- C116 H168 Cl4 F24 Ir4 N8 O4 Sb4 -","4","1","","Daniel Carmona; M. Pilar Lamata; Fernando Viguri; Ricardo Rodríguez; Fernando J. Lahoz; Isabel T. Dobrinovitch; Luis A. Oro","Pentamethylcyclopentadienyl-iridium(iii) complexes with pyridylamino ligands: synthesis and applications as asymmetric catalysts for Diels?Alder reactions","Dalton Transactions","2007","","19","1911","","10.1039/b618720j","","","0.71073","MoKα","","0.0568","0.0431","","","0.0567","0.0593","","","","","","0.913","","","","has coordinates,has disorder","179756","2020-10-21","18:00:00",""
"7005279","8.8321","0.0014","11.5748","0.0018","42.316","0.007","90","","90","","90","","4326","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,2-bis(benzanthracenol imine)binaphthyl, dichloromethane","2,2-bis(benzanthracenol imine)binaphthyl, dichloromethane","","- C59 H38 Cl2 N2 O2 -","- C59 H38 Cl2 N2 O2 -","- C236 H152 Cl8 N8 O8 -","4","1","","Wiznycia, Alexander V.; Desper, John; Levy, Christopher J.","Iron(II) and zinc(II) monohelical binaphthyl-salen complexes with overlapping benz[a]anthryl sidearms.","Dalton transactions (Cambridge, England : 2003)","2007","","15","1520","1527","10.1039/B700001D","","","0.71073","MoKα","","0.0957","0.0928","","","0.1882","0.1896","","","","","","1.353","","","","has coordinates,has disorder","179756","2020-10-21","18:00:00",""
"7005289","11.1678","0.001","20.3453","0.0018","22.558","0.002","90","","90","","90","","5125.5","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H72 N3 O3 Si3 Tm -","- C47 H72 N3 O3 Si3 Tm -","- C188 H288 N12 O12 Si12 Tm4 -","4","1","","Lukesová, Lenka; Ward, Benjamin D.; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.","High tacticity control in organolanthanide polymerization catalysis: formation of isotactic poly(alpha-alkenes) with a chiral C3-symmetric thulium complex.","Dalton transactions (Cambridge, England : 2003)","2007","","9","920","922","10.1039/b700269f","","x-ray","0.71073","MoKα","","0.0303","0.0247","","","0.0537","0.0563","","","","","","1.067","","","","has coordinates","179756","2020-10-21","18:00:00",""
"7005366","12.381","0.0006","14.638","0.0007","15.553","0.0009","90","","90","","90","","2818.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl2 N5 Ni O3 S -","- C28 H33 Cl2 N5 Ni O3 S -","- C112 H132 Cl8 N20 Ni4 O12 S4 -","4","1","","Lee, Way-Zen; Tseng, Huan-Sheng; Kuo, Ting-Shen","Ligand-controlled nuclearity in nickel bis(benzimidazolyl) complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","24","2563","2570","10.1039/b701367a","","","0.71073","MoKα","","0.0971","0.0614","","","0.1321","0.1615","","","","","","1.039","","","","has coordinates","179757","2020-10-21","18:00:00",""
"7005388","16.3589","0.0005","20.2605","0.0006","38.621","0.001","90","","90","","90","","12800.5","0.6","100","1","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C103.5 H129.5 Au4 Cl15 O26 P4 -","- C103.5 H129.5 Au4 Cl15 O26 P4 -","- C414 H518 Au16 Cl60 O104 P16 -","4","1","","Poorters, Laurent; Armspach, Dominique; Matt, Dominique; Toupet, Loïc","alpha-TEPHOS: a cyclodextrin-derived tetraphosphine for multiple metal binding.","Dalton transactions (Cambridge, England : 2003)","2007","","29","3195","3202","10.1039/b701684k","","","0.71073","MoKα","","0.1224","0.0947","","","0.2089","0.227","","","","","","1.148","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005432","9.336","0.002","12.515","0.0008","23.12","0.003","90","","90","","90","","2701.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","040023","","","- C28 H33 Cl2 Fe N3 -","- C28 H33 Cl2 Fe N3 -","- C112 H132 Cl8 Fe4 N12 -","4","1","","Schmiege, Benjamin M.; Carney, Michael J.; Small, Brooke L.; Gerlach, Deidra L.; Halfen, Jason A.","Alternatives to pyridinediimine ligands: syntheses and structures of metal complexes supported by donor-modified alpha-diimine ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","24","2547","2562","10.1039/b702197f","","","0.71073","MoKα","","0.0674","0.044","","","0.0853","0.0941","","","","","","1.017","","","","has coordinates","179758","2020-10-21","18:00:00",""
"7005447","10.8466","0.0006","27.2848","0.0015","31.3415","0.0019","90","","90","","90","","9275.4","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78 H77 N24 Nd2 O15.5 Ru3 -","- C78 H62 N24 Nd2 O15.5 Ru3 -","- C312 H248 N96 Nd8 O62 Ru12 -","4","1","","Baca, Svetlana G.; Adams, Harry; Sykes, Daniel; Faulkner, Stephen; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, near-infrared luminescent lanthanide(iii) cations, and ancillary oligopyridine ligands: structures and photophysical properties","Dalton Transactions","2007","","23","2419","","10.1039/b702235b","","","0.71073","MoKα","","0.0811","0.062","","","0.1466","0.1583","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7005491","8.476","0.002","8.939","0.002","15.576","0.004","90","","90","","90","","1180.1","0.5","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cl N O Se -","- C11 H14 Cl N O Se -","- C44 H56 Cl4 N4 O4 Se4 -","4","1","","Kulcsar, Monika; Beleaga, Anca; Silvestru, Cristian; Nicolescu, Alina; Deleanu, Calin; Todasca, Cristina; Silvestru, Anca","Solid state structure and solution behaviour of organoselenium(II) compounds containing 2-{E(CH2CH2)2NCH2}C6H4 groups (E = O, NMe).","Dalton transactions (Cambridge, England : 2003)","2007","","21","2187","2196","10.1039/b702629c","","","0.71073","MoKα","","0.0235","0.0227","","","0.0519","0.0522","","","","","","1.11","","","","has coordinates","179758","2020-10-21","18:00:00",""
"7005497","9.2813","0.001","9.8308","0.0008","27.659","0.003","90","","90","","90","","2523.7","0.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N P2 S -","- C28 H29 N P2 S -","- C112 H116 N4 P8 S4 -","4","1","","Weng, Zhiqiang; Teo, Shihui; Andy Hor, T. S.","Chromium(III) catalysed ethylene tetramerization promoted by bis(phosphino)amines with an N-functionalized pendant.","Dalton transactions (Cambridge, England : 2003)","2007","","32","3493","3498","10.1039/b702636f","","","0.71073","MoKα","","0.1113","0.0838","","","0.1564","0.1758","","","","","","1.077","","","","has coordinates,has disorder","179758","2020-10-21","18:00:00",""
"7005516","19.3194","0.0009","20.3567","0.0009","22.6289","0.0008","90","","90","","90","","8899.5","0.7","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H50 Cl N3 O P2 Ru -","- C53 H50 Cl N3 O P2 Ru -","- C424 H400 Cl8 N24 O8 P16 Ru8 -","8","2","","Sui-Seng, Christine; Hadzovic, Alen; Lough, Alan J.; Morris, Robert H.","Novel hydrido-ruthenium(II) complexes with histidine derivatives and their application in the hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2007","","24","2536","2541","10.1039/b702803b","","","0.71073","MoKα","","0.1681","0.0694","","","0.116","0.1513","","","","","","0.971","","","","has coordinates,has disorder","179759","2020-10-21","18:00:00",""
"7005525","7.7083","0.0007","12.2654","0.0006","15.8917","0.0013","90","","90","","90","","1502.5","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N5 Ni S2 -","- C12 H15 N5 Ni S2 -","- C48 H60 N20 Ni4 S8 -","4","1","","Chattopadhyay, Shouvik; Drew, Michael G. B.; Diaz, Carmen; Ghosh, Ashutosh","The first metamagnetic thiocyanato-bridged one-dimensional nickel(II) complex.","Dalton transactions (Cambridge, England : 2003)","2007","","24","2492","2494","10.1039/b702814h","","","0.71073","MoKα","","0.0609","0.0479","","","0.0837","0.0893","","","","","","1.056","","","","has coordinates","179759","2020-10-21","18:00:00",""
"7005555","9.581","0.003","10.365","0.003","38.296","0.012","90","","90","","90","","3803","2","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 Li2 N4 O2 -","- C42 H52 Li2 N4 O2 -","- C168 H208 Li8 N16 O8 -","4","1","","Meyer, Nils; Roesky, Peter W.","Chiral bridged aminotroponiminate complexes of the lanthanides.","Dalton transactions (Cambridge, England : 2003)","2007","","25","2652","2657","10.1039/b703020g","","","0.71073","MoKα","","0.0794","0.0598","","","0.1246","0.1326","","","","","","1.076","","","","has coordinates","179759","2020-10-21","18:00:00",""
"7005556","8.8136","0.0011","14.005","0.002","34.259","0.005","90","","90","","90","","4228.7","1","210","2","210","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 Cl Ho N4 O2 -","- C42 H52 Cl Ho N4 O2 -","- C168 H208 Cl4 Ho4 N16 O8 -","4","1","","Meyer, Nils; Roesky, Peter W.","Chiral bridged aminotroponiminate complexes of the lanthanides.","Dalton transactions (Cambridge, England : 2003)","2007","","25","2652","2657","10.1039/b703020g","","","0.71073","MoKα","","0.0886","0.055","","","0.1135","0.1272","","","","","","0.928","","","","has coordinates","179759","2020-10-21","18:00:00",""
"7005557","9.0455","0.0002","19.2532","0.0006","26.6334","0.0009","90","","90","","90","","4638.3","0.2","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H60 Cl Er N4 O -","- C52 H60 Cl Er N4 O -","- C208 H240 Cl4 Er4 N16 O4 -","4","1","","Meyer, Nils; Roesky, Peter W.","Chiral bridged aminotroponiminate complexes of the lanthanides.","Dalton transactions (Cambridge, England : 2003)","2007","","25","2652","2657","10.1039/b703020g","","","0.71073","MoKα","","0.0466","0.0395","","","0.091","0.0938","","","","","","1.031","","","","has coordinates,has disorder","179759","2020-10-21","18:00:00",""
"7005606","6.7181","0.0005","12.6485","0.0012","13.7542","0.0011","90","","90","","90","","1168.75","0.17","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Cl3 N4 O2 P3 -","- C3 H8 Cl3 N4 O2 P3 -","- C12 H32 Cl12 N16 O8 P12 -","4","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kiliç, Adem; Shaw, Robert A.","A spiro to ansa rearrangement in cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2007","","26","2792","2801","10.1039/b703541a","","","0.71073","MoKα","","0.0263","0.0243","","","0.0583","0.0595","","","","","","1.033","","","","has coordinates","179760","2020-10-21","18:00:00",""
"7005619","18.6063","0.0011","21.5364","0.0013","27.1103","0.0016","90","","90","","90","","10863.4","1.1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C88 H90 F12 N8 O15.25 P4 Pd2 S4 -","- C88 H90 F12 N8 O15.25 P4 Pd2 S4 -","- C352 H360 F48 N32 O61 P16 Pd8 S16 -","4","1","","Diaz, Pilar; Tovilla, Jorge A.; Ballester, Pablo; Benet-Buchholz, Jordi; Vilar, Ramón","Synthesis, structural characterization and anion binding studies of palladium macrocycles with hydrogen-bonding ligands.","Dalton transactions (Cambridge, England : 2003)","2007","","32","3516","3525","10.1039/b703660d","","","0.71073","MoKα","","0.1067","0.0854","","","0.2381","0.2552","","","","","","1.091","","","","has coordinates,has disorder","179760","2020-10-21","18:00:00",""
"7005670","14.127","0.001","19.57","0.002","21.228","0.002","90","","90","","90","","5868.8","0.9","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","catena-(bis(mu-trifluoromethanesulfonato-\1kO:\2kO')bis (mu- (1,3-di-tert-butyl-2,4-bis(o-methoxyphenoxy)-(1,3,2,4) diazadiphosphetidine-1kappaP:2kappaP')disilver(i))","catena-[bis(μ-trifluoromethanesulfonato-\1kO:\2kO')bis (μ-(1,3-di-tert-butyl-2,4-bis(o-methoxyphenoxy)-[1,3,2,4] diazadiphosphetidine-1κP:2κP')disilver(I)]","","- C46 H64 Ag2 F6 N4 O14 P4 S2 -","- C46 H64 Ag2 F6 N4 O14 P4 S2 -","- C184 H256 Ag8 F24 N16 O56 P16 S8 -","4","1","","Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.","One-dimensional silver(I) coordination polymers containing cyclodiphosphazane, cis-{(o-MeOC(6)H(4)O)P(mu-N(t)Bu)}(2).","Dalton transactions (Cambridge, England : 2003)","2007","","27","2957","2962","10.1039/b704303a","","","0.71073","MoKα","","0.102","0.0805","","","0.1427","0.152","","","","","","1.091","","","","has coordinates","179760","2020-10-21","18:00:00",""
"7005694","11.4032","0.0006","11.9183","0.0006","27.5618","0.0013","90","","90","","90","","3745.8","0.3","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25.33 Cl1.5 Co N4 Na0.5 O9.67 -","- C12 H25.33 Cl1.5 Co N4 Na0.5 O9.665 -","- C96 H202.64 Cl12 Co8 N32 Na4 O77.32 -","8","2","","Broge, Louise; Søtofte, Inger; Jensen, Kristian; Jensen, Nicolai; Pretzmann, Ulla; Springborg, Johan","Bowl adamanzanes‒bicyclic tetraamines: syntheses and crystal structures of complexes with cobalt(III) and chelating coordinated oxo-anions.","Dalton transactions (Cambridge, England : 2003)","2007","","34","3826","3839","10.1039/b704451h","","","0.71073","MoKα","","0.0671","0.0489","","","0.0899","0.0982","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005710","12.37","0.003","17.427","0.002","22.378","0.005","90","","90","","90","","4824.1","1.7","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Di-*ìì*-alkoxo-(1-[(2-Hydroxy-3,5-di-*tert*-butyl-benzylidene)-amino] -indan-2-ol)iron(III) chloride","","","- C48.3 H58.6 Cl2.6 Fe2 N2 O4 -","- C48.3 H58.6 Cl2.6 Fe2 N2 O4 -","- C193.2 H234.4 Cl10.4 Fe8 N8 O16 -","4","1","","Howard, Judith A. K.; Ilyashenko, Gennadiy; Sparkes, Hazel A.; Whiting, Andrew","Development of new transition metal catalysts for the oxidation of a hydroxamic acid with in situ Diels-Alder trapping of the acyl nitroso derivative.","Dalton transactions (Cambridge, England : 2003)","2007","","21","2108","2111","10.1039/b704728b","","","0.71073","MoKα","","0.0824","0.0553","","","0.1096","0.1201","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005739","15.276","0.002","18.394","0.001","34.794","0.003","90","","90","","90","","9776.7","1.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H51.5 Au Cl N8 O3.75 P4 -","- C46 H44 Au Cl N8 O3.75 P4 -","- C368 H352 Au8 Cl8 N64 O30 P32 -","8","2","","Humphreys, Anthony S.; Filipovska, Aleksandra; Berners-Price, Susan J; Koutsantonis, George A.; Skelton, Brian W.; White, Allan H.","Gold(I) chloride adducts of 1,3-bis(di-2-pyridylphosphino)propane: synthesis, structural studies and antitumour activity.","Dalton transactions (Cambridge, England : 2003)","2007","","43","4943","4950","10.1039/b705008a","","","0.71073","MoKα","","0.0965","0.0571","","","0.134","0.1476","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7005885","8.9194","0.0002","12.9185","0.0005","29.3079","0.0011","90","","90","","90","","3377","0.2","173.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Cl2 Cu N3 O13 S -","- C28 H35 Cl2 Cu N3 O13 S -","- C112 H140 Cl8 Cu4 N12 O52 S4 -","4","1","","Sugai, Yuko; Fujii, Shoko; Fujimoto, Tomomi; Yano, Shigenobu; Mikata, Yuji","Asymmetric sulfur atom coordination in a copper(II) dipicolylamine (DPA) complex with a thioglycoside ligand.","Dalton transactions (Cambridge, England : 2003)","2007","","33","3705","3709","10.1039/b706423c","","","0.7107","MoKα","","","0.0372","","","","0.1041","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005976","15.254","0.003","18.595","0.002","22.165","0.003","90","","90","","90","","6287.1","1.6","163","2","163","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H56 K N4 O4 Sm -","- C24 H56 K N4 O4 Sm -","- C192 H448 K8 N32 O32 Sm8 -","8","2","","Venugopal, Ajay; Willner, Alexander; Hepp, Alexander; Mitzel, Norbert W.","Hydroxylaminato yttrate and samarate complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","29","3124","3126","10.1039/b707575h","","","0.71073","MoKα","","0.1529","0.0743","","","0.1154","0.1403","","","","","","1.028","","","","has coordinates","179763","2020-10-21","18:00:00",""
"7006018","12.526","0.008","15.475","0.009","18.411","0.011","90","","90","","90","","3569","4","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H59 B K O8 P Si2 -","- C25 H59 B K O8 P Si2 -","- C100 H236 B4 K4 O32 P4 Si8 -","4","1","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Alkali metal complexes of a phosphine-borane-stabilised carbanion: influence of co-ligands on structure.","Dalton transactions (Cambridge, England : 2003)","2007","","33","3669","3675","10.1039/b708279g","","","0.6905","synchrotron","","0.1193","0.1126","","","0.2661","0.2714","","","","","","1.078","","","","has coordinates,has disorder","179764","2020-10-21","18:00:00",""
"7006033","10.95","0.005","16.413","0.007","29.531","0.014","90","","90","","90","","5307","4","108.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H66 Au N4 P Ru3 -","- C56 H66 Au N4 P Ru3 -","- C224 H264 Au4 N16 P4 Ru12 -","4","1","","Tanabe, Yoshiaki; Kajitani, Hidenobu; Iwasaki, Masakazu; Ishii, Youichi","Synthesis and reactivities of a bis(cyanamido)-capped triruthenium complex.","Dalton transactions (Cambridge, England : 2003)","2007","","41","4701","4707","10.1039/b708328a","","","0.71075","MoKα","","","0.0411","","","","0.0431","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006072","10.668","0.002","17.794","0.004","19.935","0.004","90","","90","","90","","3784.2","1.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 B2 F8 Fe N14 O -","- C31 H39 B2 F8 Fe N14 O -","- C124 H156 B8 F32 Fe4 N56 O4 -","4","1","","Moubaraki, Boujemaa; Leita, Ben A.; Halder, Gregory J.; Batten, Stuart R.; Jensen, Paul; Smith, Jonathan P.; Cashion, John D.; Kepert, Cameron J.; Létard, Jean-François; Murray, Keith S.","Structure, magnetism and photomagnetism of mixed-ligand tris(pyrazolyl)methane iron(ii) spin crossover compounds.","Dalton transactions (Cambridge, England : 2003)","2007","","39","4413","4426","10.1039/b708773j","","","0.71073","MoKα","","0.058","0.0439","","","0.1087","0.1164","","","","","","1.028","","","","has coordinates","179764","2020-10-21","18:00:00",""
"7006103","11.6918","0.0012","12.9226","0.0014","17.923","0.002","90","","90","","90","","2708","0.5","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Tris-(4-(pyrazol-3-yl)-3-aza-3-butenyl)amine)iron(ii) dinitrate mono-nitromethane solvate","[Tris-(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(II) dinitrate mono-nitromethane solvate","","- C19 H27 Fe N13 O8 -","- C19 H27 Fe N13 O8 -","- C76 H108 Fe4 N52 O32 -","4","1","","Lazar, Hanane Z.; Forestier, Thibaut; Barrett, Simon A.; Kilner, Colin A.; Létard, Jean-François; Halcrow, Malcolm A.","Thermal and light-induced spin-crossover in salts of the heptadentate complex [tris(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(ii).","Dalton transactions (Cambridge, England : 2003)","2007","","38","4276","4285","10.1039/b708971f","","","0.71073","MoKα","","0.0595","0.0481","","","0.1331","0.145","","","","","","1.092","","","","has coordinates,has disorder","179765","2020-10-21","18:00:00",""
"7006104","11.7421","0.0012","12.8654","0.0011","17.818","0.0015","90","","90","","90","","2691.7","0.4","250","2","250","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Tris-(4-(pyrazol-3-yl)-3-aza-3-butenyl)amine)iron(ii) dinitrate mono-nitromethane solvate","[Tris-(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(II) dinitrate mono-nitromethane solvate","","- C19 H27 Fe N13 O8 -","- C19 H27 Fe N13 O8 -","- C76 H108 Fe4 N52 O32 -","4","1","","Lazar, Hanane Z.; Forestier, Thibaut; Barrett, Simon A.; Kilner, Colin A.; Létard, Jean-François; Halcrow, Malcolm A.","Thermal and light-induced spin-crossover in salts of the heptadentate complex [tris(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(ii).","Dalton transactions (Cambridge, England : 2003)","2007","","38","4276","4285","10.1039/b708971f","","","0.71073","MoKα","","0.0685","0.0447","","","0.1075","0.1192","","","","","","1.016","","","","has coordinates,has disorder","179765","2020-10-21","18:00:00",""
"7006105","11.7098","0.0011","12.8195","0.0013","17.7697","0.0016","90","","90","","90","","2667.5","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Tris-(4-(pyrazol-3-yl)-3-aza-3-butenyl)amine)iron(ii) dinitrate mono-nitromethane solvate","[Tris-(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(II) dinitrate mono-nitromethane solvate","","- C19 H27 Fe N13 O8 -","- C19 H27 Fe N13 O8 -","- C76 H108 Fe4 N52 O32 -","4","1","","Lazar, Hanane Z.; Forestier, Thibaut; Barrett, Simon A.; Kilner, Colin A.; Létard, Jean-François; Halcrow, Malcolm A.","Thermal and light-induced spin-crossover in salts of the heptadentate complex [tris(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(ii).","Dalton transactions (Cambridge, England : 2003)","2007","","38","4276","4285","10.1039/b708971f","","","0.71073","MoKα","","0.0578","0.0429","","","0.1077","0.1154","","","","","","1.037","","","","has coordinates,has disorder","179765","2020-10-21","18:00:00",""
"7006106","11.6229","0.001","12.6878","0.0012","17.5957","0.0019","90","","90","","90","","2594.8","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Tris-(4-(pyrazol-3-yl)-3-aza-3-butenyl)amine)iron(ii) dinitrate mono-nitromethane solvate","[Tris-(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(II) dinitrate mono-nitromethane solvate","","- C19 H27 Fe N13 O8 -","- C19 H27 Fe N13 O8 -","- C76 H108 Fe4 N52 O32 -","4","1","","Lazar, Hanane Z.; Forestier, Thibaut; Barrett, Simon A.; Kilner, Colin A.; Létard, Jean-François; Halcrow, Malcolm A.","Thermal and light-induced spin-crossover in salts of the heptadentate complex [tris(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(ii).","Dalton transactions (Cambridge, England : 2003)","2007","","38","4276","4285","10.1039/b708971f","","","0.71073","MoKα","","0.0519","0.0435","","","0.1082","0.1137","","","","","","1.052","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006107","11.6168","0.001","12.6034","0.0014","17.484","0.0019","90","","90","","90","","2559.9","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Tris-(4-(pyrazol-3-yl)-3-aza-3-butenyl)amine)iron(ii) dinitrate mono-nitromethane solvate","[Tris-(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(II) dinitrate mono-nitromethane solvate","","- C19 H27 Fe N13 O8 -","- C19 H27 Fe N13 O8 -","- C76 H108 Fe4 N52 O32 -","4","1","","Lazar, Hanane Z.; Forestier, Thibaut; Barrett, Simon A.; Kilner, Colin A.; Létard, Jean-François; Halcrow, Malcolm A.","Thermal and light-induced spin-crossover in salts of the heptadentate complex [tris(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(ii).","Dalton transactions (Cambridge, England : 2003)","2007","","38","4276","4285","10.1039/b708971f","","","0.71073","MoKα","","0.053","0.0458","","","0.1159","0.1204","","","","","","1.08","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006108","11.626","0.002","12.574","0.002","17.373","0.003","90","","90","","90","","2539.7","0.7","30","2","30","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(Tris-(4-(pyrazol-3-yl)-3-aza-3-butenyl)amine)iron(ii) dinitrate mono-nitromethane solvate","[Tris-(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(II) dinitrate mono-nitromethane solvate","","- C19 H27 Fe N13 O8 -","- C19 H27 Fe N13 O8 -","- C76 H108 Fe4 N52 O32 -","4","1","","Lazar, Hanane Z.; Forestier, Thibaut; Barrett, Simon A.; Kilner, Colin A.; Létard, Jean-François; Halcrow, Malcolm A.","Thermal and light-induced spin-crossover in salts of the heptadentate complex [tris(4-{pyrazol-3-yl}-3-aza-3-butenyl)amine]iron(ii).","Dalton transactions (Cambridge, England : 2003)","2007","","38","4276","4285","10.1039/b708971f","","","0.71073","MoKα","","0.1038","0.0923","","","0.2524","0.2631","","","","","","1.129","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006122","10.663","0.002","11.967","0.003","16.489","0.004","90","","90","","90","","2104.1","0.8","150","2","150","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","Chisholm 1477","","","- C18 H24 O12 -","- C18 H24 O12 -","- C72 H96 O48 -","4","1","","Chisholm, Malcolm H.; Gallucci, Judith C.; Yin, Hongfeng","18-membered cyclic esters derived from glycolide and lactide: preparations, structures and coordination to sodium ions.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4811","4821","10.1039/b709081a","","x-ray","0.71073","MoKα","","0.0387","0.0328","","","0.0846","0.0881","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006181","7.8867","0.0002","11.1661","0.0003","32.3867","0.0008","90","","90","","90","","2852.09","0.13","298","2","298","2","","","","","","","Synthesized","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 Cu Fe2 N2 O7 -","- C28 H34 Cu Fe2 N2 O7 -","- C112 H136 Cu4 Fe8 N8 O28 -","4","1","","Sahoo, Subash Chandra; Ray, Manabendra","Ferrocene substitution in amino acids strengthens the axial binding in Cu(II) complexes and separates the hydrophobic and hydrophilic region in the crystals.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5148","5155","10.1039/b709662c","","","0.71073","MoKα","","0.0306","0.0244","","","0.0615","0.0699","","","","","","0.96","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006182","7.4664","0.0004","14.7857","0.0008","30.211","0.0017","90","","90","","90","","3335.2","0.3","298","2","298","2","","","","","","","Synthesized","6","P 21 21 21","P 2ac 2ab","19","Cu(S-fThr)2","","","- C30 H39 Cu Fe2 N2 O10 -","- C30 H39 Cu Fe2 N2 O10 -","- C120 H156 Cu4 Fe8 N8 O40 -","4","1","","Sahoo, Subash Chandra; Ray, Manabendra","Ferrocene substitution in amino acids strengthens the axial binding in Cu(II) complexes and separates the hydrophobic and hydrophilic region in the crystals.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5148","5155","10.1039/b709662c","","","0.71073","MoKα","","0.0468","0.0321","","","0.0678","0.072","","","","","","1.125","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006188","16.5172","0.0011","17.7092","0.0012","23.8534","0.0016","90","","90","","90","","6977.3","0.8","160","2","160","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H113 N3 O19 Ti W5 -","- C54 H113 N3 O19 Ti W5 -","- C216 H452 N12 O76 Ti4 W20 -","4","1","","Errington, R. John; Petkar, Sagar S.; Middleton, Paul S.; McFarlane, William; Clegg, William; Coxall, Robert A.; Harrington, Ross W.","Non-aqueous synthetic methodology for TiW(5) polyoxometalates: protonolysis of [(MeO)TiW(5)O(18)](3-) with alcohols, water and phenols.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5211","5222","10.1039/b709732h","","","0.71073","MoKα","","0.0423","0.035","","0.0894","0.0813","","","","1.137","1.082","1.082","","","","","has coordinates","179765","2020-10-21","18:00:00",""
"7006203","12.605","0.003","14.305","0.004","18.654","0.005","90","","90","","90","","3363.6","1.5","193.1","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl2 Ir N2 O5 S2 Si -","- C28 H37 Cl2 Ir N2 O5 S2 Si -","- C112 H148 Cl8 Ir4 N8 O20 S8 Si4 -","4","1","","Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","Silylenediamido [(CH3)2Si(NTs)2(2-); Ts = p-CH3C6H4SO2] complexes of iridium: synthesis, structures and facile Si-N bond cleavage.","Dalton transactions (Cambridge, England : 2003)","2007","","33","3606","3608","10.1039/b709930b","","","0.7107","MoKα","","","0.0284","","","","0.0924","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006263","12.965","0.003","13.853","0.003","14.642","0.003","90","","90","","90","","2629.8","1","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H43 Cl P2 Pt -","- C24 H43 Cl P2 Pt -","- C96 H172 Cl4 P8 Pt4 -","4","1","","Vuzman, Dana; Poverenov, Elena; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","Reactivity and stability of platinum(II) formyl complexes based on PCP-type ligands. The significance of sterics.","Dalton transactions (Cambridge, England : 2003)","2007","","48","5692","5700","10.1039/b711444c","","","0.71073","MoKα","","0.0519","0.0363","","","0.0871","0.0918","","","","","","1.019","","","","has coordinates","179766","2020-10-21","18:00:00",""
"7006270","12.9014","0.0001","13.8202","0.0001","16.3616","0.0002","90","","90","","90","","2917.27","0.05","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Compound 9","","","- C16 H31 B11 Br6 P Rh -","- C16 H31 B11 Br6 P Rh -","- C64 H124 B44 Br24 P4 Rh4 -","4","1","","Molinos, Eduardo; Brayshaw, Simon K.; Kociok-Köhn, Gabrielle; Weller, Andrew S.","Cationic rhodium mono-phosphine fragments partnered with carborane monoanions [closo-CB11H6X6]- (X = H, Br). Synthesis, structures and reactivity with alkenes.","Dalton transactions (Cambridge, England : 2003)","2007","","42","4829","4844","10.1039/b711468k","","","0.71073","MoKα","","0.039","0.0311","","","0.0649","0.068","","","","","","1.034","","","","has coordinates","179766","2020-10-21","18:00:00",""
"7006304","14.8603","0.0008","15.2097","0.0008","25.1404","0.0015","90","","90","","90","","5682.3","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H69 Cl3 N4 O4 S4 -","- C57 H69 Cl3 N4 O4 S4 -","- C228 H276 Cl12 N16 O16 S16 -","4","1","","Kozlova, Marina N.; Ferlay, Sylvie; Solovieva, Svetlana E.; Antipin, Igor S.; Konovalov, Alexander I.; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: on the formation of 1-D silver coordination networks by thiacalixarenes bearing nitrile groups.","Dalton transactions (Cambridge, England : 2003)","2007","","44","5126","5131","10.1039/b712351e","","","0.71073","MoKα","","0.1526","0.0695","","","0.1422","0.1753","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006314","13.6695","0.0014","16.645","0.0017","17.5462","0.0019","90","","90","","90","","3992.3","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 F6 Mn N4 O6 S2 -","- C36 H48 F6 Mn N4 O6 S2 -","- C144 H192 F24 Mn4 N16 O24 S8 -","4","1","","Gómez, Laura; Garcia-Bosch, Isaac; Company, Anna; Sala, Xavier; Fontrodona, Xavier; Ribas, Xavi; Costas, Miquel","Chiral manganese complexes with pinene appended tetradentate ligands as stereoselective epoxidation catalysts.","Dalton transactions (Cambridge, England : 2003)","2007","","47","5539","5545","10.1039/b712754e","","","0.71073","MoKα","","0.0673","0.0525","","","0.1349","0.1415","","","","","","1.047","","","","has coordinates,has disorder","179767","2020-10-21","18:00:00",""
"7006365","8.577","0.002","15.228","0.003","23.913","0.005","90","","90","","90","","3123.3","1.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Bis(Pyridine-2-thiolato)-bis(diphenylphosphinomethane)- platinum(ii)","Bis(Pyridine-2-thiolato)-bis(diphenylphosphinomethane)-platinum(ii)","","- C35 H30 N2 P2 Pt S2 -","- C35 H30 N2 P2 Pt S2 -","- C140 H120 N8 P8 Pt4 S8 -","4","1","","Mendía, Aránzazu; Cerrada, Elena; Arnáiz, Francisco J; Laguna, Mariano","Pyridine-2-thionate as a versatile ligand in Pd(II) and Pt(II) chemistry: the presence of three different co-ordination modes in [Pd2(micro2-S,N-C5H4SN)(micro2-kappa2S-C5H4SN)(micro2-dppm)(S-C5H4SN)2].","Dalton transactions (Cambridge, England : 2003)","2006","","4","609","616","10.1039/b508438e","","","0.71073","MoKα","","0.0308","0.0277","","","0.0632","0.0647","","","","","","1.03","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006370","11.647","0.001","16.895","0.001","27.329","0.001","90","","90","","90","","5377.7","0.6","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H76 Au B F4 O2 P2 -","- C54 H76 Au B F4 O2 P2 -","- C216 H304 Au4 B4 F16 O8 P8 -","4","1","","Deschamps, Eliane; Deschamps, Bernard; Laure Dormieux, Jeanne; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","4,6-bis(supermesitylphosphanylidenemethyl)dibenzofuran. Synthesis, X-ray structure and reactivity towards group 11 metals.","Dalton transactions (Cambridge, England : 2003)","2006","","4","594","602","10.1039/b508678g","","","0.71069","MoKα","","0.0452","0.034","","","0.067","0.0701","","","","","","0.996","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006374","13.699","0.014","20.905","0.023","22.741","0.025","90","","90","","90","","6513","12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 Mo12 N12 O51 P -","- C21 H27 Mo12 N12 O51 P -","- C84 H108 Mo48 N48 O204 P4 -","4","1","","Gamelas, J. A. F.; Santos, F. M.; Felix, V.; Cavaleiro, A. M. V.; de Matos Gomes, E.; Belsley, M.; Drew, M. G. B.","Novel charge transfer supramolecular assemblies with Keggin anions and 2-amino-5-nitropyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","9","1197","1203","10.1039/b508986g","","","0.71073","MoKα","","0.0637","0.0573","","","0.1784","0.1868","","","","","","0.897","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006388","10.92","0.001","16.96","0.001","29.994","0.001","90","","90","","90","","5555","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 Al2 N2 O2 -","- C24 H44 Al2 N2 O2 -","- C192 H352 Al16 N16 O16 -","8","2","","Ullrich, Matthias; Mitzel, Norbert W.; Bergander, Klaus; Fröhlich, Roland","Organoaluminium complexes with sterically demanding oximato ligands: does a bulky and rigid ligand backbone change the aggregation motif?","Dalton transactions (Cambridge, England : 2003)","2006","","5","714","721","10.1039/b509511e","","","1.54178","CuKα","","0.059","0.0559","","","0.1599","0.1645","","","","","","1.028","","","","has coordinates","179767","2020-10-21","18:00:00",""
"7006414","11.6508","0.0001","13.7476","0.0001","26.4113","0.0003","90","","90","","90","","4230.31","0.07","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(3-methylpyrazol-1-yl)pyridine] ditetrafluoroborate tetrakis-acetonitrile solvate","","- C34 H38 B2 F8 Fe N14 -","- C34 H38 B2 F8 Fe N14 -","- C136 H152 B8 F32 Fe4 N56 -","4","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0662","0.0421","","","0.1101","0.1233","","","","","","1.047","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006415","11.5476","0.0001","13.6803","0.0001","26.3236","0.0002","90","","90","","90","","4158.46","0.06","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(3-methylpyrazol-1-yl)pyridine] ditetrafluoroborate tetrakis-acetonitrile solvate","","- C34 H38 B2 F8 Fe N14 -","- C34 H38 B2 F8 Fe N14 -","- C136 H152 B8 F32 Fe4 N56 -","4","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0423","0.0367","","","0.0998","0.1052","","","","","","1.025","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006416","11.3871","0.0001","13.6181","0.0001","26.2355","0.0003","90","","90","","90","","4068.36","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(3-methylpyrazol-1-yl)pyridine] ditetrafluoroborate tetrakis-acetonitrile solvate","","- C34 H38 B2 F8 Fe N14 -","- C34 H38 B2 F8 Fe N14 -","- C136 H152 B8 F32 Fe4 N56 -","4","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0599","0.0412","","","0.0983","0.1074","","","","","","1.026","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006417","11.2572","0.0001","13.5578","0.0001","26.1701","0.0002","90","","90","","90","","3994.16","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(3-methylpyrazol-1-yl)pyridine] ditetrafluoroborate tetrakis-acetonitrile solvate","","- C34 H38 B2 F8 Fe N14 -","- C34 H38 B2 F8 Fe N14 -","- C136 H152 B8 F32 Fe4 N56 -","4","1","","Elhaïk, Jérôme; Kilner, Colin A.; Halcrow, Malcolm A.","Structural diversity in iron(II) complexes of 2,6-di(pyrazol-1-yl)pyridine and 2,6-di(3-methylpyrazol-1-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2006","","6","823","830","10.1039/b510370c","","","0.71073","MoKα","","0.0432","0.0339","","","0.0834","0.0885","","","","","","1.033","","","","has coordinates,has disorder","179768","2020-10-21","18:00:00",""
"7006425","12.243","0.001","15.03","0.001","21.803","0.001","90","","90","","90","","4012","0.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 F3 O5 P3 Ru S -","- C42 H38 F3 O5 P3 Ru S -","- C168 H152 F12 O20 P12 Ru4 S4 -","4","1","","Akbayeva, Dina N.; Di Vaira, Massimo; Costantini, Stefano Seniori; Peruzzini, Maurizio; Stoppioni, Piero","Stabilization of the tautomers HP(OH)2 and P(OH)3 of hypophosphorous and phosphorous acids as ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","2","389","395","10.1039/b510479c","","","0.71069","MoKα","","0.0879","0.0444","","","0.0976","0.1106","","","","","","0.902","","","","has coordinates","179768","2020-10-21","18:00:00",""
"7006432","5.012","0.001","7.461","0.001","18.66","0.004","90","","90","","90","","697.8","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N O3 -","- C6 H9 N O3 -","- C24 H36 N4 O12 -","4","1","","Chisholm, M. H.; Galucci, J.; Krempner, C.; Wiggenhorn, C.","Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4.","Dalton transactions (Cambridge, England : 2003)","2006","","6","846","851","10.1039/b510580c","","","0.71073","MoKα","","0.0487","0.0361","","0.1191","0.0875","","","","1.156","0.925","0.925","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7006571","7.1336","0.0013","13.999","0.003","16.244","0.003","90","","90","","90","","1622.2","0.5","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 Co O P -","- C16 H26 Co O P -","- C64 H104 Co4 O4 P4 -","4","1","","McConnell, Ann C.; Pogorzelec, Peter J.; Slawin, Alexandra M. Z.; Williams, Gary L.; Elliott, Paul I. P.; Haynes, Anthony; Marr, Andrew C.; Cole-Hamilton, David J","The synthesis, characterisation and reactivity of 2-phosphanylethylcyclopentadienyl complexes of cobalt, rhodium and iridium.","Dalton transactions (Cambridge, England : 2003)","2006","","1","91","107","10.1039/b512054c","","","0.71073","MoKα","","0.0557","0.0467","","","0.1124","0.1169","","","","","","1","","","","has coordinates","179769","2020-10-21","18:00:00",""
"7006602","10.802","0.009","13.63","0.013","32.45","0.02","90","","90","","90","","4778","7","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H49 Cl2 N6 O0 Ti -","- C39 H48.902 Cl2 N6 Ti -","- C156 H195.608 Cl8 N24 Ti4 -","4","1","","Pugh, David; Wright, Joseph A.; Freeman, Sandra; Danopoulos, Andreas A.","'Pincer' dicarbene complexes of some early transition metals and uranium.","Dalton transactions (Cambridge, England : 2003)","2006","","6","775","782","10.1039/b512133g","","","0.71073","MoKα","","0.1728","0.0944","","","0.1944","0.2221","","","","","","0.973","","","","has coordinates,has disorder","179770","2020-10-21","18:00:00",""
"7006637","12.114","0.005","14.316","0.003","23.104","0.009","90","","90","","90","","4007","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 Cl4 N4 O8 Ru2 S4 -","- C32 H40 Cl4 N4 O8 Ru2 S4 -","- C128 H160 Cl16 N16 O32 Ru8 S16 -","4","1","","Murali, Mariappan; Palaniandavar, Mallayan","Synthesis, structure and spectral and redox properties of new mixed ligand monomeric and dimeric Ru(II) complexes: predominant formation of the ""cis-alpha"" diastereoisomer and unusual 3MC emission by dimeric complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","5","730","743","10.1039/b512382h","","","0.71073","MoKα","","0.1155","0.0788","","","0.186","0.2144","","","","","","1.053","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006652","9.3854","0.0012","14.6399","0.0018","19.322","0.002","90","","90","","90","","2654.9","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 Cu N3 O7 -","- C24 H35 Cu N3 O7 -","- C96 H140 Cu4 N12 O28 -","4","1","","Seitz, Markus; Capacchione, Carmine; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Ward, Benjamin D.; Gade, Lutz H.","Bisoxazolines with one and two sidearms: stereodirecting ligands for copper-catalysed asymmetric allylic oxidations of alkenes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","193","202","10.1039/b512570g","","x-ray","0.71073","MoKα","","0.0921","0.0742","","","0.1926","0.2045","","","","","","1.072","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006654","9.194","0.001","16.122","0.002","19.152","0.006","90","","90","","90","","2838.8","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 Cu N4 O6 -","- C29 H38 Cu N4 O6 -","- C116 H152 Cu4 N16 O24 -","4","1","","Seitz, Markus; Capacchione, Carmine; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Ward, Benjamin D.; Gade, Lutz H.","Bisoxazolines with one and two sidearms: stereodirecting ligands for copper-catalysed asymmetric allylic oxidations of alkenes.","Dalton transactions (Cambridge, England : 2003)","2006","","1","193","202","10.1039/b512570g","","x-ray","0.71073","MoKα","","0.0688","0.0465","","","0.0892","0.1082","","","","","","1.095","","","","has coordinates","179770","2020-10-21","18:00:00",""
"7006749","16.0619","0.0019","18.95","0.002","20.586","0.002","90","","90","","90","","6265.8","1.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H57 Al B F20 N3 -","- C64 H57 Al B F20 N3 -","- C256 H228 Al4 B4 F80 N12 -","4","1","","Masuda, Jason D.; Stephan, Douglas W.","Neutral and cationic aluminium complexes of a sterically demanding N-imidoylamidine ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","17","2089","2097","10.1039/b513531a","","","0.71073","MoKα","","0.0842","0.0569","","","0.1372","0.1553","","","","","","1.065","","","","has coordinates","179771","2020-10-21","18:00:00",""
"7006818","10.803","0.002","10.815","0.002","23.309","0.005","90","","90","","90","","2723.3","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 Cd Cl2 N10 O10 S2 -","- C14 H22 Cd Cl2 N10 O10 S2 -","- C56 H88 Cd4 Cl8 N40 O40 S8 -","4","1","","Li, Mingxue; Sun, Qiaozhen; Bai, Yan; Duan, Chunying; Zhang, Bingguang; Meng, Qingjin","Chiral aggregation and spontaneous resolution of thiosemicarbazone metal complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2572","2578","10.1039/b514425f","","","0.71073","MoKα","","0.0592","0.0521","","","0.1212","0.1247","","","","","","1.044","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006824","13.12","0.0002","13.6353","0.0003","23.2134","0.0004","90","","90","","90","","4152.76","0.13","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 N6 Yb2 -","- C46 H52 N6 Yb2 -","- C184 H208 N24 Yb8 -","4","1","","Layfield, Richard A.; Bashall, Alan; McPartlin, Mary; Rawson, Jeremy M.; Wright, Dominic S.","A structural and magnetic study of organolanthanide(III) amides.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1660","1666","10.1039/b514470a","","","0.71069","MoKα","","0.0445","0.0416","","","0.1045","0.1062","","","","","","1.051","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006827","13.274","0.002","13.766","0.002","23.426","0.007","90","","90","","90","","4280.6","1.6","223","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 Dy2 N6 -","- C46 H52 Dy2 N6 -","- C184 H208 Dy8 N24 -","4","1","","Layfield, Richard A.; Bashall, Alan; McPartlin, Mary; Rawson, Jeremy M.; Wright, Dominic S.","A structural and magnetic study of organolanthanide(III) amides.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1660","1666","10.1039/b514470a","","","0.71073","MoKα","","0.039","0.0352","","","0.0902","0.0943","","","","","","0.931","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006828","11.383","0.005","17.295","0.008","18.602","0.007","90","","90","","90","","3662","3","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H41 N6 O3 Yb3 -","- C37 H41 N6 O3 Yb3 -","- C148 H164 N24 O12 Yb12 -","4","1","","Layfield, Richard A.; Bashall, Alan; McPartlin, Mary; Rawson, Jeremy M.; Wright, Dominic S.","A structural and magnetic study of organolanthanide(III) amides.","Dalton transactions (Cambridge, England : 2003)","2006","","13","1660","1666","10.1039/b514470a","","","0.71073","MoKα","","0.0996","0.0734","","","0.1761","0.1908","","","","","","1.014","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006841","15.0808","0.0002","20.3241","0.0002","20.7401","0.0002","90","","90","","90","","6356.92","0.12","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","((K(thf)3Si(NCH2tBu)2C6H4)2)","","","- C56 H100 K2 N4 O6 Si2 -","- C56.002 H100.004 K2 N4 O6 Si2 -","- C224.008 H400.016 K8 N16 O24 Si8 -","4","1","","Gehrhus, Barbara; Hitchcock, Peter B.; Pongtavornpinyo, Ruti; Zhang, Lihong","Insights into the making of a stable silylene.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1847","1857","10.1039/b514666f","","x-ray","0.71073","MoKα","","0.0634","0.0503","","","0.1248","0.1342","","","","","","1.047","","","","has coordinates,has disorder","179772","2020-10-21","18:00:00",""
"7006852","11.2677","0.0017","19.592","0.003","19.601","0.003","90","","90","","90","","4327.1","1.1","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H60 Ag2 Cl N9 O10 Pt2 -","- C30 H60 Ag2 Cl N9 O10 Pt2 -","- C120 H240 Ag8 Cl4 N36 O40 Pt8 -","4","1","","Liu, Fenghui; Chen, Wanzhi; Wang, Daqi","Synthesis and structural characterization of one- and two-dimensional coordination polymers based on platinum-silver metallic backbones.","Dalton transactions (Cambridge, England : 2003)","2006","","24","3015","3024","10.1039/b514757c","","","0.71073","MoKα","","0.0249","0.0202","","","0.0434","0.0449","","","","","","0.816","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006881","9.274","0.0001","14.933","0.0002","17.349","0.0002","90","","90","","90","","2402.64","0.05","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lithium 2,6-di-t-butyl-4cyanophenoxide pyridine","","","- C25 H30 Li N3 O -","- C25 H30 Li N3 O -","- C100 H120 Li4 N12 O4 -","4","1","","MacDougall, Dugald J.; Noll, Bruce C.; Kennedy, Alan R.; Henderson, Kenneth W.","4-Methoxy- and 4-cyano-substituted lithium aryloxides: electronic effects of substituents on aggregation.","Dalton transactions (Cambridge, England : 2003)","2006","","15","1875","1884","10.1039/b515011f","","","0.71073","MoKα","","0.037","0.0327","","","0.0795","0.082","","","","","","1.028","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006885","5.74","0.001","13.703","0.001","13.774","0.001","90","","90","","90","","1083.4","0.2","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Fe O -","- C14 H14 Fe O -","- C56 H56 Fe4 O4 -","4","1","","Tebben, Ludger; Neumann, Markus; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard; Losi, Serena; Zanello, Piero","Development of a convenient new synthetic route to [3]ferrocenophanones.","Dalton transactions (Cambridge, England : 2003)","2006","","14","1715","1720","10.1039/b515043d","","","0.71073","MoKα","","0.0296","0.025","","","0.0525","0.0543","","","","","","1.036","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006895","9.3074","0.0001","17.7513","0.0003","22.3268","0.0003","90","","90","","90","","3688.8","0.09","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 O11 P Ru4 -","- C33 H33 O11 P Ru4 -","- C132 H132 O44 P4 Ru16 -","4","1","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.0263","0.0226","","","0.0427","0.0436","","","","","","1.072","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006897","11.651","0.002","15.18","0.003","38.529","0.008","90","","90","","90","","6814","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 O10 P2 Ru4 -","- C28 H32 O10 P2 Ru4 -","- C224 H256 O80 P16 Ru32 -","8","2","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.0648","0.0428","","","0.0615","0.067","","","","","","1.033","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006899","12.7512","0.0002","18.7601","0.0004","21.1114","0.0004","90","","90","","90","","5050.14","0.16","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H37 Cl3 O12 P2 Ru4 -","- C41.93 H36.93 Cl2.79 O12 P2 Ru4 -","- C167.72 H147.72 Cl11.16 O48 P8 Ru16 -","4","1","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.1127","0.0413","","","0.077","0.0894","","","","","","0.777","","","","has coordinates","179772","2020-10-21","18:00:00",""
"7006901","11.8868","0.0004","16.0305","0.0006","22.8822","0.0008","90","","90","","90","","4360.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 O13 P2 Ru4 -","- C38 H32 O12.43 P2 Ru4 -","- C152 H128 O49.72 P8 Ru16 -","4","1","","Moberg, Viktor; Homanen, Pertti; Selva, Simona; Persson, Roger; Haukka, Matti; Pakkanen, Tapani A.; Monari, Magda; Nordlander, Ebbe","Synthesis, characterization and reactivity of tetranuclear ruthenium hydrido clusters containing chiral phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","1","279","288","10.1039/b515273a","","","0.71073","MoKα","","0.0573","0.0411","","","0.0976","0.1041","","","","","","1.086","","","","has coordinates","179773","2020-10-21","18:00:00",""
"7006955","13.225","0.0018","15.172","0.002","22.202","0.003","90","","90","","90","","4454.8","1","193.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H24 F18 N8 P3 Rh S6 -","- C34 H24 F18 N8 P3 Rh S6 -","- C136 H96 F72 N32 P12 Rh4 S24 -","4","1","","Hamazawa, Rika Tanaka; Nishioka, Takanori; Kinoshita, Isamu; Takui, Takeji; Santo, Ryoko; Ichimura, Akio","Thiacalix[3]pyridine produces a stable mononuclear rhodium(II) complex with mutual Jahn-Teller effect.","Dalton transactions (Cambridge, England : 2003)","2006","","11","1374","1376","10.1039/b515926a","","","0.7107","MoKα","","","0.0495","","","","0.0764","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7006994","10.1526","0.0002","18.4259","0.0003","18.6888","0.0003","90","","90","","90","","3496.13","0.11","150","2","150","2","","","","","","","L. Matteau reation LM123c","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H45 Cl Cu N7 O3 -","- C33 H45 Cl Cu N7 O3 -","- C132 H180 Cl4 Cu4 N28 O12 -","4","1","","Mareque Rivas, Juan C.; Hinchley, Sarah L.; Metteau, Laurent; Parsons, Simon","The strength of hydrogen bonding to metal-bound ligands can contribute to changes in the redox behaviour of metal centres.","Dalton transactions (Cambridge, England : 2003)","2006","","19","2316","2322","10.1039/b516234c","","","0.71073","MoKα","","0.0664","0.0555","","","0.1184","0.123","","","","","","1.072","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7007007","17.0569","0.0002","17.5875","0.0002","32.345","0.0004","90","","90","","90","","9703.1","0.2","150","","150","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Fe N2 O -","- C28 H32 Fe N2 O -","- C448 H512 Fe16 N32 O16 -","16","4","","Llewellyn, Simon A.; Green, Malcolm L. H.; Green, Jennifer C.; Cowley, Andrew R.","Migratory insertion in N-heterocyclic carbene-containing Fe carbonyl complexes: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2535","2541","10.1039/b516328e","","","0.71073","MoKα","","0.0816","0.0408","","0.0807","0.0402","0.0402","","","","","","1.1142","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007014","20.45","0.04","11.36","0.03","6.429","0.01","90","","90","","90","","1494","5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H17 Cu2 N11 O -","- C7 H17 Cu2 N11 O -","- C28 H68 Cu8 N44 O4 -","4","1","","El Fallah, M. Salah; Badyine, Fatima; Vicente, Ramon; Escuer, Albert; Solans, Xavier; Font-Bardia, Mercè","Complementarity and countercomplementarity in polynuclear copper(II) complexes with R2NCH2CH(OH)CH2NR2 (R = H, CH3): crystal structures and magnetic study.","Dalton transactions (Cambridge, England : 2003)","2006","","24","2934","2942","10.1039/b516392g","","","0.71073","MoKα","","0.1257","0.0731","","","0.1716","0.1999","","","","","","1.039","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007072","6.6219","0.001","9.9779","0.0015","28.146","0.004","90","","90","","90","","1859.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 P2 Se6 -","- C12 H10 P2 Se6 -","- C48 H40 P8 Se24 -","4","1","","Parveen, Sahrah; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and characterisation of four- and six-membered P-Se heterocycles.","Dalton transactions (Cambridge, England : 2003)","2006","","21","2586","2590","10.1039/b517093a","","","0.71073","MoKα","","0.0913","0.0581","","","0.087","0.0996","","","","","","0.92","","","","has coordinates","179774","2020-10-21","18:00:00",""
"7007122","8.579","0.003","13.436","0.006","19.87","0.008","90","","90","","90","","2290.4","1.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 N2 O10 Ru3 -","- C18 H10 N2 O10 Ru3 -","- C72 H40 N8 O40 Ru12 -","4","1","","Cabeza, Javier A.; da Silva, Iván; del Río, Ignacio; Gossage, Robert A.; Miguel, Daniel; Suárez, Marta","Triruthenium carbonyl clusters derived from chiral aminooxazolines: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2450","2455","10.1039/b517758h","","","0.71073","MoKα","","0.0248","0.0228","","","0.0513","0.0525","","","","","","1.086","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007123","7.4658","0.0013","15.525","0.003","19.898","0.004","90","","90","","90","","2306.3","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H10 N2 O10 Ru3 -","- C19 H10 N2 O10 Ru3 -","- C76 H40 N8 O40 Ru12 -","4","1","","Cabeza, Javier A.; da Silva, Iván; del Río, Ignacio; Gossage, Robert A.; Miguel, Daniel; Suárez, Marta","Triruthenium carbonyl clusters derived from chiral aminooxazolines: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2450","2455","10.1039/b517758h","","","0.71073","MoKα","","0.015","0.0147","","","0.0365","0.0367","","","","","","1.03","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007124","7.758","0.003","17.703","0.007","19.581","0.008","90","","90","","90","","2689.3","1.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H14 N2 O10 Ru3 -","- C25 H14 N2 O10 Ru3 -","- C100 H56 N8 O40 Ru12 -","4","1","","Cabeza, Javier A.; da Silva, Iván; del Río, Ignacio; Gossage, Robert A.; Miguel, Daniel; Suárez, Marta","Triruthenium carbonyl clusters derived from chiral aminooxazolines: synthesis and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2006","","20","2450","2455","10.1039/b517758h","","","0.71073","MoKα","","0.0241","0.0212","","","0.048","0.0495","","","","","","1.047","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007131","8.4743","0.0005","13.183","0.0008","17.4013","0.0011","90","","90","","90","","1944","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Cu2 N8 -","- C20 H12 Cu2 N8 -","- C80 H48 Cu8 N32 -","4","1","","Zhou, Xiao-Ping; Li, Dan; Wu, Tao; Zhang, Xuanjun","Syntheses of supramolecular CuCN complexes by decomposing CuSCN: a general route to CuCN coordination polymers?","Dalton transactions (Cambridge, England : 2003)","2006","","20","2435","2443","10.1039/b517969f","","","0.71073","MoKα","","0.0307","0.0281","","","0.0703","0.0715","","","","","","1.052","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007146","10.2283","0.0011","18.9578","0.0012","21.8874","0.0019","90","","90","","90","","4244.1","0.6","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H66 N2 O4 Ti -","- C42 H66 N2 O4 Ti -","- C168 H264 N8 O16 Ti4 -","4","1","","Gregson, Charlotte K. A.; Blackmore, Ian J.; Gibson, Vernon C.; Long, Nicholas J.; Marshall, Edward L.; White, Andrew J. P.","Titanium-salen complexes as initiators for the ring opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3134","3140","10.1039/b518266b","","","1.54178","CuKα","","0.0809","0.0571","","","0.1212","0.132","","","","","","1.03","","","","has coordinates,has disorder","179775","2020-10-21","18:00:00",""
"7007148","8.733","0.0007","15.474","0.0012","20.6286","0.0016","90","","90","","90","","2787.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(N((C3F7)C(Mes)N)2)H-Ortho","","","- C26 H23 F14 N3 -","- C26 H23 F14 N3 -","- C104 H92 F56 N12 -","4","1","","Dias, H. V. Rasika; Singh, Shreeyukta","Monomeric lithium triazapentadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","16","1995","2000","10.1039/b518464a","","","0.71073","MoKα","","0.0992","0.0611","","","0.1409","0.1595","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007193","9.6","0.0019","9.6251","0.0019","33.47","0.007","90","","90","","90","","3092.7","1.1","30","2","30","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Bis(2,6-bis(4-methylpyrazol-1-yl)pyridine)iron(ii) diperchlorate (compound 6)","Bis[2,6-bis(4-methylpyrazol-1-yl)pyridine]iron(II) diperchlorate (compound 6)","","- C26 H26 Cl2 Fe N10 O8 -","- C26 H26 Cl2 Fe N10 O8 -","- C104 H104 Cl8 Fe4 N40 O32 -","4","1","","Carbonera, Chiara; Sánchez Costa, José; Money, Victoria A.; Elhaïk, Jérôme; Howard, Judith A. K.; Halcrow, Malcolm A.; Létard, Jean-François","Photomagnetic properties of iron(II) spin crossover complexes of 2,6-dipyrazolylpyridine and 2,6-dipyrazolylpyrazine ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","25","3058","3066","10.1039/b601366j","","","0.71073","MoKα","","0.144","0.1297","","","0.3103","0.3182","","","","","","1.125","","","","has coordinates","179775","2020-10-21","18:00:00",""
"7007247","10.8595","0.0013","14.3555","0.0018","51.762","0.006","90","","90","","90","","8069.4","1.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H107 K O8.5 Pr S -","- C68 H107 K O8.5 Pr S -","- C272 H428 K4 O34 Pr4 S4 -","4","1","","Natrajan, Louise S.; Blake, Alexander J.; Wilson, Claire; Weinstein, Julia A.; Arnold, Polly L.","Group I cation templated formation of luminescent mono- and bis-substituted thionaphthol heterobimetallic complexes of Pr, Nd, Eu and Tb.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4465","4473","10.1039/b602242a","","","0.71073","MoKα","","0.1271","0.1218","","","0.2935","0.2966","","","","","","1.286","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7007280","6.7898","0.0002","10.4137","0.0003","24.7155","0.0006","90","","90","","90","","1747.56","0.08","123","2","123","2","","","","","","","acetone","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","","Cole, Marcus L.; Junk, Peter C.; Proctor, Kathryn M.; Scott, Janet L.; Strauss, Christopher R.","Synthesis and structural characterisation of lithium and sodium 2,6-dibenzylphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3338","3349","10.1039/b602706g","","x-ray","0.71073","MoKα","","0.0656","0.0405","","","0.076","0.0832","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007281","19.0585","0.0012","20.8529","0.0012","31.3141","0.0018","90","","90","","90","","12445","1.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 Cr O10 -","- C33 H39 Cr O10 -","- C528 H624 Cr16 O160 -","16","4","","Calucci, Lucia; Cloke, F Geoffrey N; Englert, Ulli; Hitchcock, Peter B.; Pampaloni, Guido; Pinzino, Calogero; Puccini, Filippo; Volpe, Manuel","Synthesis of chromium(0) and molybdenum(0) bis (eta(6)-arene) derivatives and their monoelectronic oxidation to [M(eta(6)-arene)(2)](+) cations.","Dalton transactions (Cambridge, England : 2003)","2006","","35","4228","4234","10.1039/b602783k","","","0.71073","MoKα","","0.0957","0.0741","","","0.1413","0.1507","","","","","","1.089","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007298","12.2797","0.0004","17.8483","0.0006","27.1851","0.0008","90","","90","","90","","5958.2","0.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H76 N6 O P Si3 U -","- C62 H76 N6 O P Si3 U -","- C248 H304 N24 O4 P4 Si12 U4 -","4","1","","Antunes, Maria Augusta; Dias, Marta; Monteiro, Bernardo; Domingos, Angela; Santos, Isabel C.; Marques, Noémia","Synthesis and reactivity of uranium(IV) amide complexes supported by a triamidotriazacyclononane ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","27","3368","3374","10.1039/b603000a","","","0.71073","MoKα","","0.0809","0.0481","","","0.0628","0.0681","","","","","","0.892","","","","has coordinates","179776","2020-10-21","18:00:00",""
"7007343","9.213","0.001","19.258","0.001","30.126","0.001","90","","90","","90","","5345.1","0.7","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C59 H68 O12 Zr2 -","- C59 H68 O12 Zr2 -","- C236 H272 O48 Zr8 -","4","1","","Meyer zu Berstenhorst, Birgit; Erker, Gerhard; Kehr, Gerald; Fröhlich, Roland","Carbohydrate-metallocene conjugates: selective formation of a zirconadioxacyclopentane-type dimer from the reaction of a bis(enolate)ZrCp2 reagent with a glucofuranoside derivative.","Dalton transactions (Cambridge, England : 2003)","2006","","26","3200","3203","10.1039/b603803d","","","0.71073","MoKα","","0.0695","0.0477","","","0.0767","0.0831","","","","","","1.036","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007355","5.7777","0.0004","12.9809","0.0008","15.0483","0.0006","90","","90","","90","","1128.62","0.11","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(5-(SMe2)-nido-B10H12)","","","- C2 H18 B10 S -","- C2 H18 B10 S -","- C8 H72 B40 S4 -","4","1","","Bould, Jonathan; Dörfler, Udo; Rath, Nigam P.; Barton, Lawrence; Kilner, Colin A.; Londesborough, Michael G. S.; Ormsby, Daniel L.; Kennedy, John D.","Macropolyhedral boron-containing cluster chemistry. A synthetic approach via the auto-fusion of [6,9-(SMe2)2-arachno-B10H12].","Dalton transactions (Cambridge, England : 2003)","2006","","31","3752","3765","10.1039/b604295c","","","1.54184","CuKα","","0.0306","0.0298","","","0.0765","0.0773","","","","","","1.048","","","","has coordinates","179777","2020-10-21","18:00:00",""
"7007429","5.8179","0.0001","9.9233","0.0002","18.4741","0.0005","90","","90","","90","","1066.56","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","sa0523","","","- C12 H13 B Fe O2 -","- C12 H13 B Fe O2 -","- C48 H52 B4 Fe4 O8 -","4","1","","Bresner, Christopher; Day, Joanna K.; Coombs, Natalie D.; Fallis, Ian A.; Aldridge, Simon; Coles, Simon J.; Hursthouse, Michael B.","Fluoride anion binding by cyclic boronic esters: influence of backbone chelate on receptor integrity.","Dalton transactions (Cambridge, England : 2003)","2006","","30","3660","3667","10.1039/B605031J","","","0.71073","MoKα","","0.0347","0.0328","","","0.0795","0.0812","","","","","","1.029","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007451","11.194","0.004","9.734","0.003","19.677","0.007","90","","90","","90","","2144.1","1.3","233","2","233","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cl2 N O2 S Ti -","- C21 H21 Cl2 N O2 S Ti -","- C84 H84 Cl8 N4 O8 S4 Ti4 -","4","1","","Joe, Dae June; Wu, Chun Ji; Bok, Taekki; Lee, Eun Jung; Lee, Choong Hoon; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","o-Phenylene-bridged Cp/sulfonamido titanium complexes for ethylene/1-octene copolymerization.","Dalton transactions (Cambridge, England : 2003)","2006","","33","4056","4062","10.1039/b605345a","","","0.71073","MoKα","","0.1561","0.0639","","","0.1429","0.2004","","","","","","1.05","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007453","10.93","0.002","12.558","0.002","22.71","0.004","90","","90","","90","","3117.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N6 O4 -","- C36 H32 N6 O4 -","- C144 H128 N24 O16 -","4","1","","Wu, Da-Yu; Xie, Li-Xia; Zhang, Chang-Li; Duan, Chun-Ying; Zhao, Yong-Gang; Guo, Zi-Jian","Quinoline-based molecular clips for selective fluorescent detection of Zn2+.","Dalton transactions (Cambridge, England : 2003)","2006","","29","3528","3533","10.1039/b605653a","","","0.71073","MoKα","","0.1774","0.0396","","","0.06","0.0993","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007459","11.567","0.0009","17.538","0.0013","19.5684","0.0015","90","","90","","90","","3969.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H56 Li2 N10 O3 -","- C36 H56 Li2 N10 O3 -","- C144 H224 Li8 N40 O12 -","4","1","","Otero, Antonio; Fernández-Baeza, Juan; Antiñolo, Antonio; Tejeda, Juan; Lara-Sánchez, Agustín; Sánchez-Barba, Luis; Sánchez-Molina, Margarita; Franco, Sonia; López-Solera, Isabel; Rodríguez, Ana M","Design of new heteroscorpionate ligands and their coordinative ability toward Group 4 transition metals; an efficient synthetic route to obtain enantiopure ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","36","4359","4370","10.1039/b605703a","","","0.71073","MoKα","","0.0553","0.0447","","","0.1134","0.1301","","","","","","1.108","","","","has coordinates","179778","2020-10-21","18:00:00",""
"7007527","9.2786","0.0003","16.3421","0.0004","34.6797","0.0006","90","","90","","90","","5258.5","0.2","293","2","293","2","","","","","","","Synthesis. Crystallization from a hexane solution of the complex at low temperature","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N2 O9 Ru3 S -","- C21 H16 N2 O9 Ru3 S -","- C168 H128 N16 O72 Ru24 S8 -","8","2","","Cabeza, Javier A.; da Silva, Iván; del Río, Ignacio; Sánchez-Vega, M Gabriela","Triruthenium and triosmium carbonyl clusters containing chiral bidentate NHC-thiolate ligands derived from levamisole.","Dalton transactions (Cambridge, England : 2003)","2006","","33","3966","3971","10.1039/b606869c","","","1.5418","CuKα","","0.0485","0.0352","","","0.067","0.0725","","","","","","1.017","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007544","6.2051","0.0007","12.9197","0.0014","17.4921","0.0019","90","","90","","90","","1402.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05261","","","- C8 H25 Al2 N3 -","- C8 H25 Al2 N3 -","- C32 H100 Al8 N12 -","4","1","","Luo, Bing; Kucera, Benjamin E.; Gladfelter, Wayne L.","Hydrido and chloro gallium and aluminium complexes with the tridentate bis(2-dimethylaminoethyl)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4491","4498","10.1039/b607164c","","","0.71073","MoKα","","0.0306","0.0278","","","0.0718","0.0736","","","","","","1.012","","","","has coordinates","179779","2020-10-21","18:00:00",""
"7007545","6.2256","0.0008","12.9136","0.0015","17.444","0.002","90","","90","","90","","1402.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","05126","","","- C8 H25 Al0.84 Ga1.16 N3 -","- C8 H25 Al0.8435 Ga1.1565 N3 -","- C32 H100 Al3.374 Ga4.626 N12 -","4","1","","Luo, Bing; Kucera, Benjamin E.; Gladfelter, Wayne L.","Hydrido and chloro gallium and aluminium complexes with the tridentate bis(2-dimethylaminoethyl)amide ligand.","Dalton transactions (Cambridge, England : 2003)","2006","","37","4491","4498","10.1039/b607164c","","","0.71073","MoKα","","0.0237","0.0204","","","0.0491","0.0505","","","","","","1.048","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007550","9.314","0.006","10.717","0.007","19.45","0.012","90","","90","","90","","1941","2","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 B10 Co Fe O3 S2 -","- C10 H15 B10 Co Fe O3 S2 -","- C40 H60 B40 Co4 Fe4 O12 S8 -","4","1","","Cai, Shuyi; Hou, Xiu-Feng; Chen, Yin-Qiang; Jin, Guo-Xin","Synthesis and structure of heterometallic complexes (RhFe, CoFe) containing bridging 1,2-dicarba-closo-dodecarborane-1,2-dichalcogenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2006","","31","3736","3741","10.1039/b607195c","","","0.71073","MoKα","","0.0697","0.0411","","","0.062","0.0669","","","","","","0.816","","","","has coordinates,has disorder","179779","2020-10-21","18:00:00",""
"7007652","5.5685","0.0004","8.4635","0.0005","19.7227","0.0012","90","","90","","90","","929.51","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H3 N O6 U -","- C7 H3 N O6 U -","- C28 H12 N4 O24 U4 -","4","1","","Frisch, Mark; Cahill, Christopher L.","Synthesis, structure and fluorescent studies of novel uranium coordination polymers in the pyridinedicarboxylic acid system.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4679","4690","10.1039/b608187h","","","0.71073","MoKα","","0.0225","0.021","","","0.0523","0.0531","","","","","","0.929","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007664","8.924","0.003","10.537","0.003","11.061","0.003","90","","90","","90","","1040.1","0.5","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-methylmercapto-delta$2!-1,3-diazacycloheptane","2-methylmercapto-delta^2^-1,3-diazacycloheptane","","- C6 H13 I N2 S -","- C6 H13 I N2 S -","- C24 H52 I4 N8 S4 -","4","1","","Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.","Strong reducing agents containing dimolybdenum Mo2(4+) units and their oxidized cations with Mo2(5+/6+) cores stabilized by bicyclic guanidinate anions with a seven-membered ring.","Dalton transactions (Cambridge, England : 2003)","2006","","38","4623","4631","10.1039/b608422b","","","0.71073","MoKα","","0.0187","0.0184","","","0.0457","0.0461","","","","","","1.128","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007697","10.6582","0.0002","15.0716","0.0004","21.1627","0.0004","90","","90","","90","","3399.49","0.13","100","2","100","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H32 Cl2 N O3 P3 Pd -","- C37 H32 Cl2 N O3 P3 Pd -","- C148 H128 Cl8 N4 O12 P12 Pd4 -","4","1","","Cadierno, Victorio; Díez, Josefina; García-Alvarez, Joaquín; Gimeno, José; Nebra, Noel; Rubio-García, Javier","Synthesis and reactivity studies of palladium(II) complexes containing the N-phosphorylated iminophosphorane-phosphine ligands Ph2PCH2P{=NP(=O)(OR)2}Ph2 (R=Et, Ph): application to the catalytic synthesis of 2,3-dimethylfuran.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5593","5604","10.1039/b609359k","","","1.5418","CuKα","","0.0419","0.0375","","","0.0914","0.0936","","","","","","0.996","","","","has coordinates","179780","2020-10-21","18:00:00",""
"7007761","10.0208","0.0002","13.6557","0.0003","15.4382","0.0003","90","","90","","90","","2112.58","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H34 B9 N -","- C15 H34 B9 N -","- C60 H136 B36 N4 -","4","1","","Franken, Andreas; Jelínek, Tomás; Taylor, Richard G.; Ormsby, Daniel L.; Kilner, Colin A.; Clegg, William; Kennedy, John D.","Polyhedral monocarbaborane chemistry. Some C-phenylated seven, eight, nine, ten, eleven and twelve-vertex species.","Dalton transactions (Cambridge, England : 2003)","2006","","48","5753","5769","10.1039/b609908d","","","0.71073","MoKα","","0.0525","0.0452","","","0.1158","0.1226","","","","","","1.035","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007779","8.9866","0.0002","14.0192","0.0004","17.0694","0.0004","90","","90","","90","","2150.49","0.09","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl5 N2 O Pd -","- C17 H19 Cl5 N2 O Pd -","- C68 H76 Cl20 N8 O4 Pd4 -","4","1","","Cardile, Steven A.; Jennings, Michael C.; Jones, Nathan D.","Pyridinyloxazolidines: versatile scaffolds for chiral catalyst construction.","Dalton transactions (Cambridge, England : 2003)","2006","","39","4672","4678","10.1039/b610079a","","","0.71073","MoKα","","0.0509","0.0383","","","0.0902","0.0951","","","","","","1.113","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007788","7.518","0.002","13.085","0.002","16.66","0.008","90","","90","","90","","1638.9","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 O P -","- C18 H23 O P -","- C72 H92 O4 P4 -","4","1","","Fey, Natalie; Howell, James A. S.; Lovatt, Jonathan D.; Yates, Paul C.; Cunningham, Desmond; McArdle, Patrick; Gottlieb, Hugo E.; Coles, Simon J.","A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2006","","46","5464","5475","10.1039/b610123b","","","0.71069","MoKα","","0.0681","0.0501","","","0.131","0.1413","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7007789","16.153","0.001","21.076","0.001","25.449","0.001","90","","90","","90","","8663.9","0.8","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C67 H97 Co N14 Na O35 P S -","- C67 H94 Co N14 Na0.65 O33.2 P S -","- C268 H376 Co4 N56 Na2.6 O132.8 P4 S4 -","4","1","","Suarez-Moreira, Edward; Hannibal, Luciana; Smith, Clyde A.; Chavez, Roberto A.; Jacobsen, Donald W.; Brasch, Nicola E.","A simple, convenient method to synthesize cobalamins: synthesis of homocysteinylcobalamin, N-acetylcysteinylcobalamin, 2-N-acetylamino-2-carbomethoxyethanethiolatocobalamin, sulfitocobalamin and nitrocobalamin.","Dalton transactions (Cambridge, England : 2003)","2006","","44","5269","5277","10.1039/b610158e","","","0.81797","synchrotron","","0.1082","0.103","","","0.2603","0.2645","","","","","","0.986","","","","has coordinates","179781","2020-10-21","18:00:00",""
"7007808","10.8551","0.0005","12.036","0.001","23.698","0.002","90","","90","","90","","3096.2","0.4","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42.41 B2 D4 F8 Fe N O1.705 P4 -","- C22 H45 B2 F8 Fe N O1.706 P4 -","- C88 H180 B8 F32 Fe4 N4 O6.824 P16 -","4","1","","Kohl, Stephan W.; Heinemann, Frank W.; Hummert, Markus; Bauer, Walter; Grohmann, Andreas","Solvent dependent reactivity: solvent activation vs. solvent coordination in alkylphosphane iron complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5583","5592","10.1039/b610792c","","","0.71073","MoKα","","0.0697","0.0495","","","0.1188","0.1287","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7007811","10.9275","0.0009","12.1691","0.0019","23.218","0.004","90","","90","","90","","3087.5","0.8","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C23 H47 B2 F8 Fe N O P4 -","- C23 H47 B2 F8 Fe N O P4 -","- C92 H188 B8 F32 Fe4 N4 O4 P16 -","4","1","","Kohl, Stephan W.; Heinemann, Frank W.; Hummert, Markus; Bauer, Walter; Grohmann, Andreas","Solvent dependent reactivity: solvent activation vs. solvent coordination in alkylphosphane iron complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5583","5592","10.1039/b610792c","","","0.71073","MoKα","","0.0667","0.0456","","","0.104","0.1087","","","","","","0.982","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7007812","10.933","0.003","12.2962","0.0009","22.86","0.002","90","","90","","90","","3073.2","0.9","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H43 B F4 Fe N O P4 -","- C21 H43 B F4 Fe N O P4 -","- C84 H172 B4 F16 Fe4 N4 O4 P16 -","4","1","","Kohl, Stephan W.; Heinemann, Frank W.; Hummert, Markus; Bauer, Walter; Grohmann, Andreas","Solvent dependent reactivity: solvent activation vs. solvent coordination in alkylphosphane iron complexes.","Dalton transactions (Cambridge, England : 2003)","2006","","47","5583","5592","10.1039/b610792c","","","0.71073","MoKα","","0.0554","0.043","","","0.1291","0.1317","","","","","","1.054","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007849","13.721","0.004","14.368","0.004","22.876","0.006","90","","90","","90","","4510","2","168","2","168","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cmpd5","","","- C20 H28 Ag N3 O4 -","- C20 H28 Ag N3 O4.0705 -","- C160 H224 Ag8 N24 O32.564 -","8","2","","Fitchett, Christopher M.; Steel, Peter J.","Chiral heterocyclic ligands. XIV. Control of directionality in silver coordination polymers through ligand design.","Dalton transactions (Cambridge, England : 2003)","2006","","41","4886","4888","10.1039/b611622c","","","0.71073","MoKα","","0.0672","0.0421","","","0.1071","0.1199","","","","","","0.999","","","","has coordinates,has disorder","179782","2020-10-21","18:00:00",""
"7007859","8.7688","0.0018","15.849","0.003","17.55","0.004","90","","90","","90","","2439","0.9","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Al Cl Fe N2 O2 -","- C24 H36 Al Cl Fe N2 O2 -","- C96 H144 Al4 Cl4 Fe4 N8 O8 -","4","1","","Jones, Cameron; Aldridge, Simon; Gans-Eichler, Timo; Stasch, Andreas","Synthesis and characterisation of complexes of Group 13 metal amidinate heterocycles with the CpFe(CO)2 fragment.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5357","5361","10.1039/b611758a","","","0.71073","MoKα","","0.0449","0.0351","","","0.0726","0.0765","","","","","","1.025","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007860","8.758","0.0018","15.865","0.003","17.65","0.004","90","","90","","90","","2452.4","0.9","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl Fe Ga N2 O2 -","- C24 H36 Cl Fe Ga N2 O2 -","- C96 H144 Cl4 Fe4 Ga4 N8 O8 -","4","1","","Jones, Cameron; Aldridge, Simon; Gans-Eichler, Timo; Stasch, Andreas","Synthesis and characterisation of complexes of Group 13 metal amidinate heterocycles with the CpFe(CO)2 fragment.","Dalton transactions (Cambridge, England : 2003)","2006","","45","5357","5361","10.1039/b611758a","","","0.71073","MoKα","","0.0363","0.0318","","","0.0656","0.0673","","","","","","1.052","","","","has coordinates","179782","2020-10-21","18:00:00",""
"7007953","9.6328","0.0005","14.9548","0.0008","14.9811","0.0008","90","","90","","90","","2158.1","0.2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Complex 4c","","","- C20 H24 Cl3 N O Ti -","- C20 H24 Cl3 N O Ti -","- C80 H96 Cl12 N4 O4 Ti4 -","4","1","","Pennington, Dale A.; Clegg, William; Coles, Simon J.; Harrington, Ross W.; Hursthouse, Michael B.; Hughes, David L.; Light, Mark E.; Schormann, Mark; Bochmann, Manfred; Lancaster, Simon J.","The synthesis, structure and ethene polymerisation catalysis of mono(salicylaldiminato) titanium and zirconium complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","3","561","571","10.1039/b414229b","","","0.6984","synchrotron","","0.0383","0.0317","","","0.0772","0.0807","","","","","","1.027","","","","has coordinates","179783","2020-10-21","18:00:00",""
"7008026","10.8689","0.0001","20.136","0.0002","31.2785","0.0004","90","","90","","90","","6845.49","0.13","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C43 H83 Cl11 F6 O8 P4 Ru2 S2 -","- C43 H83 Cl11 F6 O8 P4 Ru2 S2 -","- C172 H332 Cl44 F24 O32 P16 Ru8 S8 -","4","1","","Goicoechea, Jose M.; Mahon, Mary F.; Whittlesey, Michael K.; Kumar, P. G. Anil; Pregosin, Paul S.","Mononuclear and dinuclear complexes with a [Ru(tBu2PCH2CH2PtBu2)(CO)] core.","Dalton transactions (Cambridge, England : 2003)","2005","","3","588","597","10.1039/b415812a","","","0.71073","MoKα","","0.0597","0.0437","","","0.0967","0.1035","","","","","","1.003","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008066","6.3771","0.0002","15.5012","0.0004","18.6225","0.0006","90","","90","","90","","1840.88","0.1","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H22 Au2 B2 Cl2 N4 -","- C8 H22 Au2 B2 Cl2 N4 -","- C32 H88 Au8 B8 Cl8 N16 -","4","1","","Humphrey, Simon M.; Mack, Hans-Georg; Redshaw, Carl; Elsegood, Mark R. J.; Young, Kenneth J. H.; Mayer, Hermann A.; Kaska, William C.","Variable solid state aggregations in a series of (isocyanide)gold(I) halides with the novel trimethylamine-isocyanoborane adduct.","Dalton transactions (Cambridge, England : 2003)","2005","","3","439","446","10.1039/b416392c","","","0.71073","MoKα","","0.071","0.0503","","","0.1137","0.1268","","","","","","0.94","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008067","6.4334","0.0003","15.8549","0.0007","18.7149","0.0008","90","","90","","90","","1908.94","0.15","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H11 Au B Br N2 -","- C4 H11 Au B Br N2 -","- C32 H88 Au8 B8 Br8 N16 -","8","2","","Humphrey, Simon M.; Mack, Hans-Georg; Redshaw, Carl; Elsegood, Mark R. J.; Young, Kenneth J. H.; Mayer, Hermann A.; Kaska, William C.","Variable solid state aggregations in a series of (isocyanide)gold(I) halides with the novel trimethylamine-isocyanoborane adduct.","Dalton transactions (Cambridge, England : 2003)","2005","","3","439","446","10.1039/b416392c","","","0.71073","MoKα","","0.0389","0.0294","","","0.0736","0.0792","","","","","","1.044","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008070","8.2949","0.0009","14.7244","0.0017","21.236","0.002","90","","90","","90","","2593.7","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cd I2 N6 O4 -","- C18 H24 Cd I2 N6 O4 -","- C72 H96 Cd4 I8 N24 O16 -","4","1","","Wang, Yong-Tao; Tong, Ming-Liang; Fan, Hai-Hua; Wang, He-Zhou; Chen, Xiao-Ming","Homochiral crystallization of helical coordination chains bridged by achiral ligands: can it be controlled by the ligand structure?","Dalton transactions (Cambridge, England : 2003)","2005","","3","424","426","10.1039/b416412a","","","0.71073","MoKα","","0.053","0.0453","","","0.0946","0.0983","","","","","","1.023","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008077","7.506","0.002","11.3","0.004","15.348","0.005","90","","90","","90","","1301.8","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Ag Cl O4 S2 -","- C7 H16 Ag Cl O4 S2 -","- C28 H64 Ag4 Cl4 O16 S8 -","4","1","","Li, Jian-Rong; Bu, Xian-He; Jiao, Jiao; Du, Wen-Ping; Xu, Xiu-Hua; Zhang, Ruo-Hua","Novel dithioether-silver(I) coordination architectures: structural diversities by varying the spacers and terminal groups of ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","3","464","474","10.1039/b416576b","","","0.71073","MoKα","","0.0835","0.0495","","","0.1009","0.1135","","","","","","1.013","","","","has coordinates,has disorder","179784","2020-10-21","18:00:00",""
"7008090","8.8288","0.0013","15.074","0.002","18.759","0.003","90","","90","","90","","2496.5","0.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 Al O2 S2 -","- C25 H35 Al O2 S2 -","- C100 H140 Al4 O8 S8 -","4","1","","Ma, Haiyan; Melillo, Gianluca; Oliva, Leone; Spaniol, Thomas P.; Englert, Ulli; Okuda, Jun","Aluminium alkyl complexes supported by [OSSO] type bisphenolato ligands: synthesis, characterization and living polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2005","","4","721","727","10.1039/b416875e","","","0.71073","MoKα","","0.0467","0.0387","","","0.0894","0.0929","","","","","","1.056","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008091","8.952","0.004","15.202","0.006","18.987","0.007","90","","90","","90","","2583.9","1.8","248","2","248","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 Al O2 S2 -","- C26 H37 Al O2 S2 -","- C104 H148 Al4 O8 S8 -","4","1","","Ma, Haiyan; Melillo, Gianluca; Oliva, Leone; Spaniol, Thomas P.; Englert, Ulli; Okuda, Jun","Aluminium alkyl complexes supported by [OSSO] type bisphenolato ligands: synthesis, characterization and living polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2005","","4","721","727","10.1039/b416875e","","","0.71073","MoKα","","0.0575","0.042","","","0.0871","0.0939","","","","","","1.061","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008097","9.349","0.0001","12.657","0.0001","21.256","0.0002","90","","90","","90","","2515.23","0.04","122.4","0.5","122.4","0.5","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","p-(Co(tren)((MeO)2CHCH2gly))(O3SCF3)2","","","- C14 H30 Co F6 N5 O10 S2 -","- C14 H30 Co F6 N5 O10 S2 -","- C56 H120 Co4 F24 N20 O40 S8 -","4","1","","Barfod, Rasmus; Eriksen, Jette; Golding, Bernard T.; Hammershøi, Anders; Jacobsen, Thomas Amos; Langkilde, Annette; Larsen, Sine; Mønsted, Ole; Sargeson, Alan M.; Sørensen, Henning Osholm","Facile cobalt(III) template synthesis of novel branched hexadentate polyamine monocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2005","","3","491","500","10.1039/b416994h","","","0.71073","MoKα","","0.0551","0.0432","","","0.0778","0.0799","","","","","","1.728","","","","has coordinates","179784","2020-10-21","18:00:00",""
"7008112","7.4308","0.0002","13.7935","0.0002","29.5131","0.0004","90","","90","","90","","3025","0.1","150","","150","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Cl4 N3 P Ru -","- C28 H38 Cl4 N3 P Ru -","- C112 H152 Cl16 N12 P4 Ru4 -","4","1","","Cowley, Andrew R.; Dilworth, Jonathan R.; Nairn, Alison K.; Robbie, Alasdair J.","Preparation and characterization of diarylphosphazene and diarylphosphinohydrazide complexes of titanium, tungsten and ruthenium and phosphorylketimido complexes of rhenium.","Dalton transactions (Cambridge, England : 2003)","2005","","4","680","693","10.1039/b417068g","","","0.71073","MoKα","","0.0611","0.0398","","0.0637","0.0438","0.0438","","","","","","1.0803","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7008145","10.2604","0.0002","11.4625","0.0002","13.3845","0.0002","90","","90","","90","","1574.15","0.05","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Copper(ii)-1-benzyl-4-acetato-1,4,7-triazacyclononane chloride","Copper(II)-1-benzyl-4-acetato-1,4,7-triazacyclononane chloride","","- C15 H22 Cl Cu N3 O2 -","- C15 H22 Cl Cu N3 O2 -","- C60 H88 Cl4 Cu4 N12 O8 -","4","1","","Warden, Andrew C.; Spiccia, Leone; Hearn, Milton T. W.; Boas, John F.; Pilbrow, John R.","The synthesis, structure and properties of copper(II) complexes of asymmetrically functionalized derivatives of 1,4,7-triazacyclononane.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1804","1813","10.1039/b417739h","","","0.71073","MoKα","","0.0468","0.0393","","","0.1021","0.1059","","","","","","1.034","","","","has coordinates","179785","2020-10-21","18:00:00",""
"7008225","9.1973","0.0003","10.6534","0.0003","22.0565","0.0006","90","","90","","90","","2161.15","0.11","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br Hg N O3 P -","- C21 H21 Br Hg N O3 P -","- C84 H84 Br4 Hg4 N4 O12 P4 -","4","1","","Bowmaker, Graham A.; Assadollahzadeh, Behnam; Brodie, Andrew M.; Ainscough, Eric W.; Freeman, Graham H.; Jameson, Geoffrey B.","Structural and spectroscopic studies on mercury(II) tribenzylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1602","1612","10.1039/b419253b","","","0.71073","MoKα","","0.0356","0.0326","","","0.0747","0.0764","","","","","","1.048","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008226","9.2803","0.0002","10.58","0.0001","22.5316","0.0005","90","","90","","90","","2212.28","0.07","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Hg I N O3 P -","- C21 H21 Hg I N O3 P -","- C84 H84 Hg4 I4 N4 O12 P4 -","4","1","","Bowmaker, Graham A.; Assadollahzadeh, Behnam; Brodie, Andrew M.; Ainscough, Eric W.; Freeman, Graham H.; Jameson, Geoffrey B.","Structural and spectroscopic studies on mercury(II) tribenzylphosphine complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1602","1612","10.1039/b419253b","","","0.71073","MoKα","","0.0213","0.0204","","","0.0481","0.0484","","","","","","1.039","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008236","13.8429","0.0011","14.1182","0.0013","23.351","0.002","90","","90","","90","","4563.6","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H36 Cu4 I4 N4 -","- C44 H36 Cu4 I4 N4 -","- C176 H144 Cu16 I16 N16 -","4","1","","Hu, Sheng; Tong, Ming-Liang","Rational design and construction of the first tetrahedral net with photoluminescent Cu4I4 cubane cluster as the tetrahedral node.","Dalton transactions (Cambridge, England : 2003)","2005","","7","1165","1167","10.1039/b500015g","","","0.71073","MoKα","","0.0957","0.0615","","","0.1088","0.1211","","","","","","1.013","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008250","9.5368","0.0007","13.2019","0.001","19.89","0.0016","90","","90","","90","","2504.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(I-Hydroxo)-(I-1,4,7,10,13,16-hexa-azacyclo-octadecane)-di- palladinm triperchlorate","(I-Hydroxo)-(I-1,4,7,10,13,16-hexa-azacyclo-octadecane)-di- palladinm triperchlorate","","- C12 H31 Cl3 N6 O13 Pd2 -","- C12 H31 Cl3 N6 O13 Pd2 -","- C48 H124 Cl12 N24 O52 Pd8 -","4","1","","Yang, Gaosheng; Miao, Ren; Li, Yizhi; Hong, Jing; Zhao, Chuenmei; Guo, Zijian; Zhu, Longgen","Synergic effect of two metal centers in catalytic hydrolysis of methionine-containing peptides promoted by dinuclear palladium(II) hexaazacyclooctadecane complex.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1613","1619","10.1039/b500210a","","","0.71073","MoKα","","0.0608","0.0472","","","0.1195","0.1244","","","","","","0.982","","","","has coordinates","179786","2020-10-21","18:00:00",""
"7008330","8.4082","0.0003","17.7723","0.0007","19.7366","0.0008","90","","90","","90","","2949.3","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H54 Mg2 N2 O -","- C26 H54 Mg2 N2 O -","- C104 H216 Mg8 N8 O4 -","4","1","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Weatherstone, Susan","Synthesis and characterisation of a series of alkylmagnesium amide and related oxygen-contaminated ""alkoxy"" compounds.","Dalton transactions (Cambridge, England : 2003)","2005","","8","1532","1544","10.1039/b501502b","","","0.71073","MoKα","","0.0743","0.051","","","0.1129","0.1256","","","","","","1.046","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008377","9.224","0.002","13.906","0.003","21.742","0.005","90","","90","","90","","2788.8","1.1","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","dichloro-(bis(1,2-diphenylarsino)ethane)-platinum(ii) acetone solvate","","- C29 H30 As2 Cl2 O Pt -","- C29 H30 As2 Cl2 O Pt -","- C116 H120 As8 Cl8 O4 Pt4 -","4","1","","Novio, Fernando; Mas-Ballesté, Rubén; Gallardo, Iluminada; González-Duarte, Pilar; Lledós, Agustí; Vila, Neus","Influence of the terminal ligands on the redox properties of the {Pt2(mu-S)2} core in [Pt2(Ph2X(CH2)2XPh2)2(mu-S)2] (X = P or As) complexes and on their reactivity towards metal centres, protic acids and organic electrophiles.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2742","2753","10.1039/b502196k","","x-ray","0.71073","MoKα","","0.0382","0.0277","","","0.0573","0.0619","","","","","","1.095","","","","has coordinates","288178","2023-12-08","09:51:07",""
"7008391","9.241","0.001","16.743","0.001","21.306","0.001","90","0.01","90","0.01","90","0.01","3296.5","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H42 Cl2 Cu2 Fe N4 O11 -","- C23 H42 Cl2 Cu2 Fe N4 O11 -","- C92 H168 Cl8 Cu8 Fe4 N16 O44 -","4","1","","López, Concepción; Costa, Ramon; Illas, Francesc; de Graaf, Coen; Turnbull, Mark M.; Landee, Christopher P.; Espinosa, Enric; Mata, Ignasi; Molins, Elies","Magneto-structural correlations in binuclear copper(II) compounds bridged by a ferrocenecarboxylato(-1) and an hydroxo- or methoxo-ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2322","2330","10.1039/b502264a","","","0.71069","MoKα","","0.2701","0.048","","","0.0873","0.1052","","","","","","0.899","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7008409","11.0925","0.0019","14.177","0.003","16.388","0.003","90","","90","","90","","2577.2","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 K O2 P Si2 -","- C23 H36 K O2 P Si2 -","- C92 H144 K4 O8 P4 Si8 -","4","1","","Izod, Keith; Young, Jonathan; Clegg, William; Harrington, Ross W.","Effect of peripheral donor substituents on the binding modes of phosphinomethanide ligands. Synthesis and crystal structures of alkali metal derivatives of an O-functionalised phosphinomethanide ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1658","1663","10.1039/b502416a","","","0.71073","MoKα","","0.075","0.0495","","","0.0923","0.1019","","","","","","1.071","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008410","11.122","0.001","14.43","0.001","16.248","0.001","90","","90","","90","","2607.6","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 O2 P Rb Si2 -","- C23 H36 O2 P Rb Si2 -","- C92 H144 O8 P4 Rb4 Si8 -","4","1","","Izod, Keith; Young, Jonathan; Clegg, William; Harrington, Ross W.","Effect of peripheral donor substituents on the binding modes of phosphinomethanide ligands. Synthesis and crystal structures of alkali metal derivatives of an O-functionalised phosphinomethanide ligand.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1658","1663","10.1039/b502416a","","","0.71073","MoKα","","0.0657","0.037","","","0.0541","0.0606","","","","","","1.064","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008435","7.2152","0.0002","11.5571","0.0003","23.8166","0.0008","90","","90","","90","","1985.99","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N2 P -","- C22 H25 N2 P -","- C88 H100 N8 P4 -","4","1","","Lee, Wei-Ying; Liang, Lan-Chang","Organoaluminium complexes incorporating an amido phosphine chelate with a pendant amine arm.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1952","1956","10.1039/b502873f","","","0.71073","MoKα","","0.0844","0.0537","","","0.1314","0.1669","","","","","","1.1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7008444","8.1323","0.0003","11.8362","0.0003","35.6666","0.0008","90","","90","","90","","3433.11","0.17","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","TlTkp4py","","","- C34 H32 B N12 O2 Tl -","- C34 H30 B N12 O2 Tl -","- C136 H120 B4 N48 O8 Tl4 -","4","1","","Adams, Harry; Batten, Stuart R.; Davies, Graham M.; Duriska, Martin B.; Jeffery, John C.; Jensen, Paul; Lu, Jinzhen; Motson, Graham R.; Coles, Simon J.; Hursthouse, Michael B.; Ward, Michael D.","New bis-, tris- and tetrakis(pyrazolyl)borate ligands with 3-pyridyl and 4-pyridyl substituents: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2005","","11","1910","1923","10.1039/b502892b","","","0.71073","MoKα","","0.0772","0.048","","","0.096","0.1069","","","","","","1","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008473","8.2728","0.0017","14.678","0.003","15.693","0.003","90","","90","","90","","1905.6","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H30 B10 Ru -","- C15 H30 B10 Ru -","- C60 H120 B40 Ru4 -","4","1","","McIntosh, Ruaraidh; Ellis, David; Gil-Lostes, Javier; Dalby, Kelly J.; Rosair, Georgina M.; Welch, Alan J.","The synthesis and characterisation of 4,1,2-MC2B10 metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2005","","10","1842","1846","10.1039/b503214h","","","0.71073","MoKα","","0.0207","0.0194","","","0.0444","0.0447","","","","","","1.009","","","","has coordinates","179788","2020-10-21","18:00:00",""
"7008503","9.564","0.002","10.115","0.001","25.5","0.007","90","","90","","90","","2466.9","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 Ni O4 -","- C28 H27 N3 Ni O4 -","- C112 H108 N12 Ni4 O16 -","4","1","","Pessoa, J. Costa; Correia, I.; Galvão, A; Gameiro, A.; Felix, V.; Fiuza, E.","Enantioselectivity in Ni(II) Schiff-base complexes derived from amino-acids and (S)-o-N-(N-benzylprolyl)aminobenzophenone: molecular structure of several chiral Ni(II) Schiff-base complexes, circular dichroism and molecular mechanics studies.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2312","2321","10.1039/b503786g","","","0.71069","MoKα","","0.0847","0.0529","","","0.1249","0.1571","","","","","","1.117","","","","has coordinates,has disorder","179789","2020-10-21","18:00:00",""
"7008504","10.875","0.001","12.042","0.002","24.834","0.003","90","","90","","90","","3252.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H29 N7 Ni O3 -","- C34 H29 N7 Ni O3 -","- C136 H116 N28 Ni4 O12 -","4","1","","Pessoa, J. Costa; Correia, I.; Galvão, A; Gameiro, A.; Felix, V.; Fiuza, E.","Enantioselectivity in Ni(II) Schiff-base complexes derived from amino-acids and (S)-o-N-(N-benzylprolyl)aminobenzophenone: molecular structure of several chiral Ni(II) Schiff-base complexes, circular dichroism and molecular mechanics studies.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2312","2321","10.1039/b503786g","","","0.71069","MoKα","","0.2154","0.1061","","","0.2247","0.29","","","","","","1.058","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008505","9.044","0.001","9.722","0.001","26.445","0.005","90","","90","","90","","2325.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N3 Ni O3 -","- C27 H25 N3 Ni O3 -","- C108 H100 N12 Ni4 O12 -","4","1","","Pessoa, J. Costa; Correia, I.; Galvão, A; Gameiro, A.; Felix, V.; Fiuza, E.","Enantioselectivity in Ni(II) Schiff-base complexes derived from amino-acids and (S)-o-N-(N-benzylprolyl)aminobenzophenone: molecular structure of several chiral Ni(II) Schiff-base complexes, circular dichroism and molecular mechanics studies.","Dalton transactions (Cambridge, England : 2003)","2005","","13","2312","2321","10.1039/b503786g","","","0.71069","MoKα","","0.1141","0.0599","","","0.0853","0.1171","","","","","","1.162","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008518","5.6071","0.0005","13.0977","0.0017","18.4664","0.0019","90","","90","","90","","1356.2","0.3","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-serinato L-serine tricarbonyl rhenium(I)","","- C9 H13 N2 O9 Re -","- C9 H13 N2 O9 Re -","- C36 H52 N8 O36 Re4 -","4","1","","Zobi, Fabio; Spingler, Bernhard; Alberto, Roger","Structure, reactivity and solution behaviour of [Re(ser)(7-MeG)(CO)(3)] and [Re(ser)(3-pic)(CO)(3)]: ""nucleoside-mimicking"" complexes based on the fac-[Re(CO)(3)](+) moiety.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2859","2865","10.1039/b503874j","","","0.71073","MoKα","","0.0456","0.04","","","0.0963","0.0978","","","","","","1.069","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008519","10.0312","0.0005","14.1639","0.0005","24.9026","0.0008","90","","90","","90","","3538.2","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-serinato 7-methylguanine tricarbonyl rhenium(I)","","- C25 H30 N12 O15 Re2 -","- C25 H30 N12 O15 Re2 -","- C100 H120 N48 O60 Re8 -","4","1","","Zobi, Fabio; Spingler, Bernhard; Alberto, Roger","Structure, reactivity and solution behaviour of [Re(ser)(7-MeG)(CO)(3)] and [Re(ser)(3-pic)(CO)(3)]: ""nucleoside-mimicking"" complexes based on the fac-[Re(CO)(3)](+) moiety.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2859","2865","10.1039/b503874j","","","0.71073","MoKα","","0.0812","0.0493","","","0.1064","0.1178","","","","","","0.895","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008520","10.0219","0.0004","12.7847","0.0004","26.4572","0.001","90","","90","","90","","3389.9","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","D-serinato 7-methylguanine tricarbonyl rhenium(I)","","- C24 H28 N12 O15 Re2 -","- C24 H26 N12 O15 Re2 -","- C96 H104 N48 O60 Re8 -","4","1","","Zobi, Fabio; Spingler, Bernhard; Alberto, Roger","Structure, reactivity and solution behaviour of [Re(ser)(7-MeG)(CO)(3)] and [Re(ser)(3-pic)(CO)(3)]: ""nucleoside-mimicking"" complexes based on the fac-[Re(CO)(3)](+) moiety.","Dalton transactions (Cambridge, England : 2003)","2005","","17","2859","2865","10.1039/b503874j","","","0.71073","MoKα","","0.0548","0.0468","","","0.1116","0.1155","","","","","","1.044","","","","has coordinates","179789","2020-10-21","18:00:00",""
"7008654","13.9137","0.0007","16.3936","0.0009","24.5367","0.0013","90","","90","","90","","5596.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N6 Ni -","- C22 H18 N6 Ni -","- C264 H216 N72 Ni12 -","12","3","","Wang, Lei; Zhu, Xun-Jin; Wong, Wai-Yeung; Guo, Jian-Ping; Wong, Wai-Kwok; Li, Zao-Ying","Dipyrrolylquinoxaline-bridged Schiff bases: a new class of fluorescent sensors for mercury(II).","Dalton transactions (Cambridge, England : 2003)","2005","","19","3235","3240","10.1039/b505676d","","","0.71073","MoKα","","0.0684","0.0369","","","0.0742","0.0856","","","","","","1.047","","","","has coordinates","179790","2020-10-21","18:00:00",""
"7008715","10.735","0.005","13.574","0.006","33.028","0.015","90","","90","","90","","4813","4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl2 Cu N4 O10.5 -","- C18 H19.5 Cl2 Cu N4 O10.5 -","- C144 H156 Cl16 Cu8 N32 O84 -","8","2","","Patra, Ashis K.; Nethaji, Munirathinam; Chakravarty, Akhil R.","Red-light photosensitized cleavage of DNA by (l-lysine)(phenanthroline base)copper(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2005","","16","2798","2804","10.1039/b506310h","","","0.71073","MoKα","","0.1207","0.0693","","","0.1622","0.1879","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008716","7.292","0.002","21.289","0.006","25.589","0.007","90","","90","","90","","3972.4","1.9","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Au3 F8 N3 O3 -","- C40 H36 Au3 F8 N3 O3 -","- C160 H144 Au12 F32 N12 O12 -","4","1","","Mohamed, Ahmed A.; Rawashdeh-Omary, Manal A; Omary, Mohammad A.; Fackler, Jr, John P","External heavy-atom effect of gold in a supramolecular acid-base pi stack.","Dalton transactions (Cambridge, England : 2003)","2005","","15","2597","2602","10.1039/b506319a","","","0.71073","MoKα","","0.0386","0.038","","","0.0962","0.0968","","","","","","1.005","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008738","7.6926","0.0014","10.479","0.002","28.649","0.005","90","","90","","90","","2309.4","0.7","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 Cl2 Cu N2 O11 S2 -","- C13 H28 Cl2 Cu N2 O11 S2 -","- C52 H112 Cl8 Cu4 N8 O44 S8 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Decortes, Antonello; Demartin, Francesco; Devillanova, Francesco A.; Faggi, Enrico; Dolci, Luisa Stella; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Prodi, Luca; Wilson, Claire; Valtancoli, Barbara; Zaccheroni, Nelsi","Coordination chemistry of N-aminopropyl pendant arm derivatives of mixed N/S-, and N/S/O-donor macrocycles, and construction of selective fluorimetric chemosensors for heavy metal ions.","Dalton transactions (Cambridge, England : 2003)","2005","","18","2994","3004","10.1039/b506785e","","","0.71073","MoKα","","0.0465","0.0397","","","0.0819","0.0838","","","","","","0.967","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008744","9.154","0.0008","10.6559","0.0008","25.39","0.002","90","","90","","90","","2476.6","0.3","143","2","143","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Au Cl Fe P S -","- C28 H23 Au Cl Fe P S -","- C112 H92 Au4 Cl4 Fe4 P4 S4 -","4","1","","Aguado, Javier E.; Canales, Silvia; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Villacampa, M. Dolores","Group 11 complexes with unsymmetrical P,S and P,Se disubstituted ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2005","","18","3005","3015","10.1039/b507058a","","","0.71073","MoKα","","0.03","0.0235","","","0.0414","0.043","","","","","","0.98","","","","has coordinates","179791","2020-10-21","18:00:00",""
"7008759","9.329","0.003","13.504","0.004","14.721","0.005","90","","90","","90","","1854.5","1","193.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cu I N3 S3 -","- C16 H12 Cu I N3 S3 -","- C64 H48 Cu4 I4 N12 S12 -","4","1","","Miyamoto, Riichi; Santo, Ryoko; Matsushita, Toshio; Nishioka, Takanori; Ichimura, Akio; Teki, Yoshio; Kinoshita, Isamu","A complete series of copper(II) halide complexes (X = F, Cl, Br, I) with a novel Cu(II)-C(sp3) bond.","Dalton transactions (Cambridge, England : 2003)","2005","","19","3179","3186","10.1039/b507073b","","","0.7107","MoKα","","","0.06","","","","0.121","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7008804","9.6","0.004","14.588","0.003","21.525","0.009","90","","90","","90","","3014.5","1.9","298","","","","","","","","","","Local laboratory","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 N2 O4 P Re S -","- C34 H28 N2 O4 P Re S -","- C136 H112 N8 O16 P4 Re4 S4 -","4","1","","Le Gal, Julien; Tisato, Francesco; Bandoli, Giuliano; Gressier, Marie; Jaud, Joël; Michaud, Sandra; Dartiguenave, Michèle; Benoist, Eric","Synthesis and structural characterization of new oxorhenium and oxotechnetium complexes with XN2S-tetradentate semi-rigid ligands (X = O, S, N)","Dalton Transactions","2005","","23","3800","","10.1039/b508661b","","","0.71073","MoKα","","0.107","0.0505","","","0.0962","0.108","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008931","8.68413","0.00004","13.6408","0.0002","18.0396","0.0003","90","","90","","90","","2136.94","0.05","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 F7 I Ir P -","- C16 H24 F7 I Ir P -","- C64 H96 F28 I4 Ir4 P4 -","4","1","","Hughes, Russell P.; Smith, Jeremy M.; Liable-Sands, Louise M.; Concolino, Thomas E.; Lam, Kin-Chung; Incarvito, Christopher; Rheingold, Arnold L.","Syntheses and crystallographic studies of [Ir(η5-C5Me5)(L)(RF)I] (L = CO, PMe3; RF = CF2CF3, CF2CF2CF3, CF2C6F5, CF(CF3)2) complexes. Cone and solid angle steric parameters for perfluoroalkyl ligands","Journal of the Chemical Society, Dalton Transactions","2000","","6","873","","10.1039/a907057e","","","0.71073","MoKα","","0.0739","0.0651","","0.1517","0.149","","","","1.068","1.153","1.153","","","","","has coordinates","179793","2020-10-21","18:00:00",""
"7008953","13.4268","0.0002","14.0714","0.0004","15.5035","0.0004","90","","90","","90","","2929.14","0.12","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","9","","- C25 H31 Cl2 N O P2 S2 Te -","- C25 H31 Cl2 N O P2 S2 Te -","- C100 H124 Cl8 N4 O4 P8 S8 Te4 -","4","1","","Birdsall, David J.; Novosad, Josef; Slawin, Alexandra M. Z.; Woollins, J. Derek","Synthesis and crystal structures of tellurium complexes containing imidophosphinate ligands","Journal of the Chemical Society, Dalton Transactions","2000","","4","435","","10.1039/a907336a","","","0.71073","MoKα","","0.1052","0.0573","","0.1385","0.1119","","","","0.893","0.975","0.975","","","","","has coordinates","179793","2020-10-21","18:00:00",""
"7008954","11.03","0.002","12.477","0.002","15.874","0.003","90","","90","","90","","2184.6","0.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 Cl N4 Ni O4 S -","- C18 H31 Cl N4 Ni O4 S -","- C72 H124 Cl4 N16 Ni4 O16 S4 -","4","1","","M. Dolores Santana; Gabriel García; Antonio Rufete; M. Carmen Ramírez de Arellano; Gregorio López","Synthesis, characterization and crystal structures of the first pentacoordinate nickel(II) complexes containing N,S-donor ligands","J. Chem. Soc., Dalton Trans.","2000","","4","619","625","10.1039/a907367a","","","0.71073","MoKα","","0.1302","0.0865","","0.3368","0.2278","","","","1.075","1.117","1.117","","","","","has coordinates","179793","2020-10-21","18:00:00",""
"7009044","7.511","0.002","11.616","0.004","19.228","0.006","90","","90","","90","","1677.6","0.9","203","2","203","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","2-{[1,2-ethanediyilbis(nitrilomethyllidyne)]-2'dichlorophenolate) benzenethiolate}nickel(II)","","- C17 H14 Cl2 N2 Ni O S -","- C17 H14 Cl2 N2 Ni O S -","- C68 H56 Cl8 N8 Ni4 O4 S4 -","4","1","","Gomes, Lígia; Pereira, Eulália; de Castro, Baltazar","Nickel(II) complexes with N2OS and N2S2 co-ordination spheres: reduction and spectroscopic study of the corresponding Ni(I) complexes","Journal of the Chemical Society, Dalton Transactions","2000","","8","1373","","10.1039/a908330h","","","0.71069","MoKa","","0.1109","0.0656","","0.2009","0.1562","","","","1.034","1.057","1.057","","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7009084","12.526","0.002","19.174","0.002","21.933","0.002","90","0","90","0","90","0","5267.7","1.1","85","","143","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C58 H82 Cr O7 -","- C58 H82 Cr O7 -","- C232 H328 Cr4 O28 -","4","1","","Hesschenbrouck, Joëlle; Solari, Euro; Floriani, Carlo; Re, Nazzareno; Rizzoli, Corrado; Chiesi-Villa, Angiola","Chromium-(II) and -(III) over a planar oxo surface modelled by calix[4]arene anions: redox chemistry and formation of Cr‒C functionalities","Journal of the Chemical Society, Dalton Transactions","2000","","2","191","","10.1039/a908499a","","","0.71069","MoKα","","0.0882","0.0611","","0.1759","0.1419","","","","1.157","1.047","1.047","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009088","12.974","0.002","13.358","0.002","29.736","0.003","90","","90","","90","","5153.4","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H70 Cu3 N5 S6 Se4 W -","- C30.7 H65.1 Cu3 N5 S6 Se4 W -","- C122.8 H260.4 Cu12 N20 S24 Se16 W4 -","4","1","","Zhang, Qian-Feng; Bao, Mo-Tai; Hong, Mao-Chun; Cao, Rong; Song, Ying-Lin; Xin, Xin-Quan","Syntheses, crystal structures and non-linear optical responses of two new heteroselenometallic cluster compounds containing dithiocarbamate ligands","Journal of the Chemical Society, Dalton Transactions","2000","","4","605","","10.1039/a908524f","","","0.71073","MoKα","","0.0795","0.0617","","0.1448","0.1308","","","","1.067","1.069","1.069","","","","","has coordinates","179794","2020-10-21","18:00:00",""
"7009139","9.055","0.002","10.734","0.002","18.338","0.003","90","","90","","90","","1782.4","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl Cu N4 O4 -","- C14 H16 Cl Cu N4 O4 -","- C56 H64 Cl4 Cu4 N16 O16 -","4","1","","Fei, Bao-Li; Sun, Wei-Yin; Yu, Kai-Bei; Tang, Wen-Xia","Construction of co-ordination networks of 1,6-bis(4'-pyridyl)-2,5-diazahexane with silver(I) and copper(I). Structural diversity through change in metal ions and counter ions","Journal of the Chemical Society, Dalton Transactions","2000","","5","805","","10.1039/a908910a","","","0.71073","MoKα","","0.1021","0.0426","","0.1004","0.0868","","","","0.801","1.063","1.063","","","","","has coordinates","179795","2020-10-21","18:00:00",""
"7009152","8.5253","0.0012","9.4993","0.0017","25.999","0.004","90","","90","","90","","2105.5","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O3 P2 -","- C22 H24 O3 P2 -","- C88 H96 O12 P8 -","4","1","","Dianne D. Ellis; Gayle Harrison; A. Guy Orpen; Hirihattaya Phetmung; Paul G. Pringle; Johannes G. deVries; Henk Oevering","Platinum(II), palladium(II) and rhodium(I) complexes of o-, m- and p-Ph2PC6H4PO(OEt)2. PtCl2‒SnCl2 Hydroformylation catalysts modified with phosphonated triarylphosphines","J. Chem. Soc., Dalton Trans.","2000","","5","671","675","10.1039/a908963b","","","0.71073","MoKα","","0.0605","0.0485","","","0.1163","0.128","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7009171","11.763","0.001","19.565","0.002","21.003","0.002","90","","90","","90","","4833.7","0.8","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H63 I4 O3 P -","- C42 H63 I4 O3 P -","- C168 H252 I16 O12 P4 -","4","1","","Godfrey, Stephen M.; McAuliffe, Charles A.; Peaker, Andrew T.; Pritchard, Robin G.","The reaction of tertiary aryl phosphites with diiodine at ambient temperatures; structural characterisation of the tertiary phosphite tetraiodides (PhO)3PI4, (4-MeC6H4O)3PI4 and (2,4-But2C6H3O)3PI4","Journal of the Chemical Society, Dalton Transactions","2000","","8","1287","","10.1039/a909057f","","","0.71073","MoKα","","0.1247","0.0646","","","0.1379","0.1681","","","","","","1.008","","","","has coordinates","179795","2020-10-21","18:00:00",""
"7009172","9.3386","0.001","10","0.002","24.168","0.002","90","","90","","90","","2257","0.5","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 I4 O3 P -","- C18 H15 I4 O3 P -","- C72 H60 I16 O12 P4 -","4","1","","Godfrey, Stephen M.; McAuliffe, Charles A.; Peaker, Andrew T.; Pritchard, Robin G.","The reaction of tertiary aryl phosphites with diiodine at ambient temperatures; structural characterisation of the tertiary phosphite tetraiodides (PhO)3PI4, (4-MeC6H4O)3PI4 and (2,4-But2C6H3O)3PI4","Journal of the Chemical Society, Dalton Transactions","2000","","8","1287","","10.1039/a909057f","","","0.71069","MoKα","","0.0306","0.0285","","","0.0738","0.0766","","","","","","1.115","","","","has coordinates","179795","2020-10-21","18:00:00",""
"7009216","17.1111","0.0007","18.1222","0.0007","13.4364","0.0005","90","","90","","90","","4166.5","0.3","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19.6 H48.4 Br2 Cu N18.8 O14 -","- C19.6 H48.4 Br2 Cu N18.8 O14 -","- C78.4 H193.6 Br8 Cu4 N75.2 O56 -","4","1","","Bishop, Michael M.; Lindoy, Leonard F.; Mahadev, Srihari; Turner, Peter","Modification of supramolecular motifs: perturbation of the structure of an extended hydrogen-bonded biuret array by interaction with an intercalated copper complex and methanol molecules †","Journal of the Chemical Society, Dalton Transactions","2000","","3","233","","10.1039/a909359a","","","0.71073","MoKα","","0.0531","0.0378","","","0.091","0.0986","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009282","8.759","0.002","13.161","0.003","15.623","0.003","90","","90","","90","","1801","0.7","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F3 N O3 S W -","- C18 H15 F3 N O3 S W -","- C72 H60 F12 N4 O12 S4 W4 -","4","1","","Carmichael, Adrian J.; Duncalf, David J.; Wallbridge, Malcolm G. H.; McCamley, Andrew","Synthesis and characterisation of cationic bis(cyclopentadienyl)tungsten(IV) complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","7","1219","","10.1039/a909732e","","","0.71073","MoKα","","0.05","0.0493","","0.1122","0.1118","","","","0.877","0.887","0.887","","","","","has coordinates","179796","2020-10-21","18:00:00",""
"7009284","22.228","0.004","22.989","0.005","28.829","0.006","90","","90","","90","","14732","5","203","2","203","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C114 H90 Cl4 Cu6 In8 O1.5 P6 Se13 -","- C114 H90 Cl4 Cu6 In8 O1.5 P6 Se13 -","- C456 H360 Cl16 Cu24 In32 O6 P24 Se52 -","4","1","","Eichhöfer, Andreas; Fenske, Dieter","Syntheses and structures of new copper(I)‒indium(III)‒selenide clusters †","Journal of the Chemical Society, Dalton Transactions","2000","","6","941","","10.1039/a909737f","","","0.71073","MoKa","","0.0731","0.0605","","0.1686","0.1555","","","","1.178","1.19","1.19","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009293","13.04","0.001","14.493","0.002","9.883","0.002","90","","90","","90","","1867.8","0.5","150.1","","150.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Bi Br3 S4 -","- C8 H20 Bi Br3 S4 -","- C32 H80 Bi4 Br12 S16 -","4","1","","Barton, Andrew J.; Genge, Anthony R. J.; Levason, William; Reid, Gillian","Synthesis and structures of bismuth(III) complexes involving thio- and seleno-ether ligands","Journal of the Chemical Society, Dalton Transactions","2000","","6","859","","10.1039/a909803h","","","0.71073","MoKα","","","0.0354","","","","0.0436","","","","","","1.919","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009365","11.287","0.004","18.278","0.035","20.606","0.015","90","","90","","90","","4251","9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H56 N4 S4 U -","- C40 H56 N4 S4 U -","- C160 H224 N16 S16 U4 -","4","1","","Danopoulos, Andreas A.; Hankin, Danielle M.; Cafferkey, Sean M.; Hursthouse, Michael B.","η2-Sulfenamido complexes of uranium †","Journal of the Chemical Society, Dalton Transactions","2000","","10","1613","","10.1039/b000304m","","","0.71069","MoKα","","0.1827","0.0497","","0.1343","0.0804","","","","0.369","0.682","0.682","","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009389","8.567","0.001","16.693","0.001","17.164","0.001","90","","90","","90","","2454.6","0.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N Si Zr -","- C27 H35 N Si Zr -","- C108 H140 N4 Si4 Zr4 -","4","1","","Dahlmann, Marc; Schottek, Jörg; Fröhlich, Roland; Kunz, Doris; Nissinen, Maija; Erker, Gerhard; Fink, Gerhard; Kleinschmidt, Ralph","Structural characterization of M(s-cis-η4-C4H6)(Me4C5SiMe2NR) (M = Ti or Zr, R = CMe3 or CHCMe(1-C10H7))","Journal of the Chemical Society, Dalton Transactions","2000","","12","1881","","10.1039/b000570n","","","0.71073","MoKα","","0.029","0.0222","","","0.06","0.0621","","","","","","1.069","","","","has coordinates","179797","2020-10-21","18:00:00",""
"7009451","10.945","0.004","21.547","0.006","8.022","0.005","90","","90","","90","","1891.8","1.5","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 As Mo2 O4 P -","- C16 H18 As Mo2 O4 P -","- C64 H72 As4 Mo8 O16 P4 -","4","1","","Davies, John E.; Feeder, Neil; Gray, Caspar A.; Mays, Martin J.; Woods, Anthony D.","The reactions of the anions [Cp2(CO)4Mo2(μ-PRR')]− (R, R' = H, Ph) towards chloroarsines and chlorophosphines; synthesis of complexes containing both bridging phosphido and arsenido groups","Journal of the Chemical Society, Dalton Transactions","2000","","11","1695","","10.1039/b001193m","","","0.71069","MoKα","","0.1658","0.0811","","","0.1645","0.2039","","","","","","1.001","","","","has coordinates","179798","2020-10-21","18:00:00",""
"7009452","12.219","0.003","14.26","0.005","15.304","0.003","90","","90","","90","","2666.6","1.3","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H35 Cl Co Ge O9 P3 -","- C17 H35 Cl Co Ge O9 P3 -","- C68 H140 Cl4 Co4 Ge4 O36 P12 -","4","1","","Filippou, Alexander C.; Portius, Peter; Kociok-Köhn, Gabriele; Albrecht, Volker","Oxidation of germanium(II) azides with HN3: a convenient route to six-co-ordinate triazidogermanium(IV) compounds","Journal of the Chemical Society, Dalton Transactions","2000","","11","1759","","10.1039/b001198n","","","0.71073","MoKα","","0.0322","0.0248","","","0.0442","0.0455","","","","","","0.944","","","","has coordinates,has disorder","179798","2020-10-21","18:00:00",""
"7009523","8.5","0.002","14.877","0.002","18.743","0.003","90","","90","","90","","2370.1","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O7 Ru2 -","- C24 H26 O7 Ru2 -","- C96 H104 O28 Ru8 -","4","1","","King, Philip J.; Knox, Selby A. R.; Legge, Matthew S.; Orpen, A. Guy; Wilkinson, Jon N.; Hill, E. Alexander","Transformation of dimethyl acetylenedicarboxylate to bis(methylcarboxylate)vinylidene at a diruthenium centre: unprecedented 1,2-migration of a CO2Me group","Journal of the Chemical Society, Dalton Transactions","2000","","10","1547","","10.1039/b001666g","","","0.71073","MoKα","","0.0522","0.0336","","0.0569","0.0521","","","","0.986","1.008","1.008","","","","","has coordinates","179799","2020-10-21","18:00:00",""
"7009556","11.695","0.004","17.567","0.007","22.437","0.006","90","","90","","90","","4610","3","203","","203","","","","","","","","see paper","5","P 21 21 21","P 2ac 2ab","19","polynuclear carbonyl derivative Cu4(CCl3COO)6(CHCl2COOH)(CO)2","","","- C16 H2 Cl20 Cu4 O16 -","- C16 H2 Cl20 Cu4 O16 -","- C64 H8 Cl80 Cu16 O64 -","4","1","","Daniela Belli Dell'Amico; Rocco Alessio; Fausto Calderazzo; Fabrizio Della Pina; Ulli Englert; Guido Pampaloni; Vincenzo Passarelli","Synproportionation reactions between copper(II) trihalogenoacetates Cu(CX3CO2)2, X = F, Cl or Br, and copper in the presence of carbon monoxide","J. Chem. Soc., Dalton Trans.","2000","","13","2067","2075","10.1039/b001889i","","","0.71073","Mo-Kα","","0.1506","0.091","","0.2706","0.2259","","","","1.024","1.116","1.116","","","","","has coordinates","208466","2020-10-21","18:00:00",""
"7009558","11.1896","0.0008","19.063","0.001","23.732","0.002","90","","90","","90","","5062.2","0.6","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H37 Cl11 P2 Ru S2 -","- C47 H37 Cl11 P2 Ru S2 -","- C188 H148 Cl44 P8 Ru4 S8 -","4","1","","Clot, Olivier; Wolf, Michael O.; Yap, Glenn P. A.; Patrick, Brian O.","Synthesis and reactivity of ruthenium(II) complexes containing hemilabile phosphine‒thiophene ligands","Journal of the Chemical Society, Dalton Transactions","2000","","16","2729","","10.1039/b001898h","","","0.71073","MoKα","","0.0748","0.0486","","","0.1151","0.1225","","","","","","1.025","","","","has coordinates","179799","2020-10-21","18:00:00",""
"7009652","10.77","0.002","13.683","0.002","16.542","0.004","90","","90","","90","","2437.7","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 Na P Si3 -","- C21 H34 Na P Si3 -","- C84 H136 Na4 P4 Si12 -","4","1","","Avent, Anthony G.; Bonafoux, Dominique; Eaborn, Colin; Hill, Michael S.; Hitchcock, Peter B.; Smith, J. David","Crowded organometallic compounds of the alkali metals with diphenylphosphino substituents in the organic group","Journal of the Chemical Society, Dalton Transactions","2000","","13","2183","","10.1039/b002488k","","","0.71073","MoKα","","0.0759","0.0494","","0.1086","0.0957","","","","0.992","0.999","0.999","","","","","has coordinates","179800","2020-10-21","18:00:00",""
"7009669","9.655","0.002","10.3403","0.0006","12.4671","0.0007","90","","90","","90","","1244.7","0.3","180.2","","180.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Fe N6 -","- C12 H8 Fe N6 -","- C48 H32 Fe4 N24 -","4","1","","Rettig, Steven J.; Sánchez, Victor; Storr, Alan; Thompson, Robert C.; Trotter, James","Polybis(4-azabenzimidazolato)-iron(II) and -cobalt(II). 3-D single diamond-like framework materials which exhibit spin canting and ferromagnetic ordering at low temperatures †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3931","","10.1039/b002574g","","","0.7107","MoKα","","0.0838","0.0838","","0.0546","","0.0546","","","1.215","","","1.215","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009671","9.767","0.004","13.341","0.006","15.612","0.005","90","","90","","90","","2034.3","1.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H31 B2 Cu F8 N5 -","- C13 H31 B2 Cu F8 N5 -","- C52 H124 B8 Cu4 F32 N20 -","4","1","","Blake, Alexander J.; Danks, Jonathan P.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin","Synthesis and characterisation of pendant-arm amino derivatives of 1,4,7-triazacyclononane and alkyl-bridged bis(1,4,7-triazacyclononane) macrocycles and complexation to Cu(II)","Journal of the Chemical Society, Dalton Transactions","2000","","17","3034","","10.1039/b002626n","","","0.71073","MoKα","","0.0387","0.0364","","","0.0828","0.0849","","","","","","1.046","","","","has coordinates,has disorder","179800","2020-10-21","18:00:00",""
"7009735","8.36","0.001","10.981","0.002","14.717","0.003","90","","90","","90","","1351","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 N4 O4 S2 Zn -","- C7 H12 N4 O4 S2 Zn -","- C28 H48 N16 O16 S8 Zn4 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Price, Caroline E.","The influence of hydrogen bonding on the structure of zinc co-ordination polymers †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3845","","10.1039/b003210g","","","0.71069","MoKα","","0.0577","0.0338","","","0.0883","0.0963","","","","","","0.736","","","","has coordinates","179801","2020-10-21","18:00:00",""
"7009736","8.307","0.002","10.919","0.002","15.89","0.002","90","","90","","90","","1441.3","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N4 O4 S2 Zn -","- C10 H12 N4 O4 S2 Zn -","- C40 H48 N16 O16 S8 Zn4 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Price, Caroline E.","The influence of hydrogen bonding on the structure of zinc co-ordination polymers †","Journal of the Chemical Society, Dalton Transactions","2000","","21","3845","","10.1039/b003210g","","","0.71069","MoKα","","0.0237","0.0214","","","0.0573","0.0591","","","","","","0.689","","","","has coordinates","179801","2020-10-21","18:00:00",""
"7009765","17.149","0.005","17.903","0.005","10.066","0.004","90","","90","","90","","3090.4","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 Cl2 N P Ru -","- C33 H40 Cl2 N P Ru -","- C132 H160 Cl8 N4 P4 Ru4 -","4","1","","Arena, Carmela G.; Calamia, Stefania; Faraone, Felice; Graiff, Claudia; Tiripicchio, Antonio","(η6-Arene)ruthenium(II) complexes containing enantiomerically pure (β-aminoalkyl)phosphines or a (β-aminoalkyl) phosphinite: synthesis, stereochemical and kinetic studies","Journal of the Chemical Society, Dalton Transactions","2000","","18","3149","","10.1039/b003514i","","","0.71073","MoKα","","0.0519","0.0306","","","0.0551","0.0603","","","","","","0.868","","","","has coordinates","179801","2020-10-21","18:00:00",""
"7009766","10.866","0.004","24.897","0.005","11.912","0.004","90","","90","","90","","3222.6","1.7","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 B Cl F4 N P Ru -","- C32 H38 B Cl F4 N P Ru -","- C128 H152 B4 Cl4 F16 N4 P4 Ru4 -","4","1","","Arena, Carmela G.; Calamia, Stefania; Faraone, Felice; Graiff, Claudia; Tiripicchio, Antonio","(η6-Arene)ruthenium(II) complexes containing enantiomerically pure (β-aminoalkyl)phosphines or a (β-aminoalkyl) phosphinite: synthesis, stereochemical and kinetic studies","Journal of the Chemical Society, Dalton Transactions","2000","","18","3149","","10.1039/b003514i","","","0.71073","MoKα","","0.0338","0.0308","","","0.0806","0.0828","","","","","","1.074","","","","has coordinates","179801","2020-10-21","18:00:00",""
"7009867","10.6352","0.0016","14.242","0.002","17.12","0.003","90","","90","","90","","2593.1","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 F5 P2 Pd -","- C25 H31 F5 P2 Pd -","- C100 H124 F20 P8 Pd4 -","4","1","","Drago, Daniela; Pregosin, Paul S.","Allyl, olefin, aryl and alkyl organometallic palladium complexes of 1,2-bis[(2R,5R)-2,5-dimethylphospholanyl]benzene","Journal of the Chemical Society, Dalton Transactions","2000","","18","3191","","10.1039/b004148n","","","0.71073","MoKα","","0.09","0.0554","","","0.0967","0.1103","","","","","","1.146","","","","has coordinates","179802","2020-10-21","18:00:00",""
"7009897","27.961","0.006","11.809","0.008","10.087","0.006","90","","90","","90","","3331","3","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H52 Cl N O Sn -","- C32 H52 Cl N O Sn -","- C128 H208 Cl4 N4 O4 Sn4 -","4","1","","Dakternieks, Dainis; Dunn, Kerri; Schiesser, Carl H.; Tiekink, Edward R. T.","Synthesis of chiral organotin hydrides containing menthyl and oxazoline substituents†","Journal of the Chemical Society, Dalton Transactions","2000","","20","3693","","10.1039/b004259p","","","0.7107","MoKα","","","0.044","","","","0.049","","","","","","2.7","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7009906","8.728","0.004","17.574","0.004","18.489","0.004","90","","90","","90","","2836","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Mo2 O6 S3 -","- C28 H26 Mo2 O6 S3 -","- C112 H104 Mo8 O24 S12 -","4","1","","Adams, Harry; Allott, Christopher; Bancroft, Matthew N.; Morris, Michael J.","Deconstruction of cyclic and acyclic trithiocarbonates by C‒S and CS bond cleavage during oxidative decarbonylation of dimolybdenum alkyne complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","22","4145","","10.1039/b004293p","","","0.71073","MoKα","","0.03","0.029","","0.0768","0.0758","","","","1.08","1.083","1.083","","","","","has coordinates","179803","2020-10-21","18:00:00",""
"7009934","8.926","0.004","10.836","0.006","20.827","0.011","90","","90","","90","","2014.4","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cd N8 -","- C4 H12 Cd N8 -","- C32 H96 Cd8 N64 -","8","2","","Mondal, Nijhuma; Saha, Manas Kumar; Mitra, Samiran; Gramlich, Volker","Synthesis and crystal structure of thiocyanato or azido bridged one- or two-dimensional polymeric complexes of cadmium(II)","Journal of the Chemical Society, Dalton Transactions","2000","","18","3218","","10.1039/b004428h","","","0.71073","MoKα","","0.0297","0.0261","","0.0684","0.0674","","","","1.016","1.116","1.116","","","","","has coordinates","179803","2020-10-21","18:00:00",""
"7009958","8.158","0.01","15.575","0.017","24.244","0.026","90","","90","","90","","3080","6","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 B Cl F4 N2 Ru S3 -","- C30 H28 B Cl F4 N2 Ru S3 -","- C120 H112 B4 Cl4 F16 N8 Ru4 S12 -","4","1","","Madureira, João; Santos, Teresa M.; Goodfellow, Brian J.; Lucena, Mónica; Pedrosa de Jesus, Júlio; Santana-Marques, Maria G.; Drew, Michael G. B.; Félix, Vítor","Structural characterisation of new RuII[9]aneS3 polypyridylic complexes †","Journal of the Chemical Society, Dalton Transactions","2000","","23","4422","","10.1039/b004752j","","","0.71073","MoKα","","0.0615","0.0448","","","0.115","0.1286","","","","","","1.062","","","","has coordinates","179803","2020-10-21","18:00:00",""
"7009962","7.0572","0.0002","12.3474","0.0003","16.5133","0.0004","90","","90","","90","","1438.94","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl N O5 -","- C14 H18 Cl N O5 -","- C56 H72 Cl4 N4 O20 -","4","1","","Sah, Ajay K.; Rao, Chebrolu P.; Saarenketo, Pauli K.; Wegelius, Elina K.; Rissanen, Kari; Kolehmainen, Erkki","N-Glycosylamines of 4,6-O-ethylidene-α-D-glucopyranose: synthesis, characterisation and structure of CO2H, Cl and F ortho-substituted phenyl derivatives and metal ion complexes of the CO2H derivative†","Journal of the Chemical Society, Dalton Transactions","2000","","20","3681","","10.1039/b004854m","","","0.71073","MoKα","","0.0322","0.0297","","0.0796","0.078","","","","1.05","1.054","1.054","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7010012","15.0072","0.0018","15.25","0.0019","4.3768","0.0005","90","","90","","90","","1001.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-isatin thiosemicarbazone","","- C9 H8 N4 O S -","- C9 H8 N4 O S -","- C36 H32 N16 O4 S4 -","4","1","","Casas, José S.; Castiñeiras, Alfonso; Rodríguez-Argüelles, María C.; Sánchez, Agustín; Sordo, José; Vázquez-López, Antonia; Vázquez-López, Ezequiel M.","Reactions of diorganotin(IV) oxides with isatin 3- and 2-thiosemicarbazones and with isatin 2,3-bis(thiosemicarbazone): influence of diphenyldithiophosphinic acid (isatin = 1H-indole-2,3-dione)","Journal of the Chemical Society, Dalton Transactions","2000","","22","4056","","10.1039/b005103i","","","0.71073","MoKα","","0.2315","0.0526","","","0.0989","0.1467","","","","","","0.92","","","","has coordinates","179804","2020-10-21","18:00:00",""
"7010142","9.1057","0.0001","15.0474","0.0001","19.8071","0.0001","90","","90","","90","","2713.91","0.04","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[W Cl2 (N C6 H4 Ph-2) (P Me3)3]","[W Cl2 (N C6 H4 Ph-2) (P Me3)3]","","- C21 H36 Cl2 N P3 W -","- C21 H36 Cl2 N P3 W -","- C84 H144 Cl8 N4 P12 W4 -","4","1","","Nielson, Alastair J.; Glenny, Mark W.; Rickard, Clifton E. F.; Waters, Joyce M.","Regiospecific influences of phenyl ring substituents in monoimido complexes of tantalum and tungsten and bis imido complexes of molybdenum","Journal of the Chemical Society, Dalton Transactions","2000","","24","4569","","10.1039/b006420n","","","0.71073","MoKα","","0.0216","0.0206","","","0.0465","0.0468","","","","","","0.979","","","","has coordinates,has disorder","288155","2023-12-07","17:20:22",""
"7010145","12.446","0.002","12.77","0.005","26.884","0.003","90","","90","","90","","4272.8","1.9","190","2","190","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H50 B Cl N2 O2 Ru -","- C50 H50 B Cl N2 O2 Ru -","- C200 H200 B4 Cl4 N8 O8 Ru4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Garratt, Shaun A.; Russell, David R.","Arene ruthenium complexes with pyridyloxazolines: synthesis and applications as asymmetric catalysts for Diels‒Alder reactions †","Journal of the Chemical Society, Dalton Transactions","2000","","23","4432","","10.1039/b006530g","","","0.71073","MoKα","","0.0548","0.0444","","0.1196","0.1106","","","","1.049","1.047","1.047","","","","","has coordinates","179805","2020-10-21","18:00:00",""
"7010146","11.524","0.003","11.672","0.002","19.208","0.007","90","","90","","90","","2583.6","1.2","190","2","190","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl F6 N2 O Ru Sb -","- C24 H24 Cl F6 N2 O Ru Sb -","- C96 H96 Cl4 F24 N8 O4 Ru4 Sb4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Garratt, Shaun A.; Russell, David R.","Arene ruthenium complexes with pyridyloxazolines: synthesis and applications as asymmetric catalysts for Diels‒Alder reactions †","Journal of the Chemical Society, Dalton Transactions","2000","","23","4432","","10.1039/b006530g","","","0.71073","MoKα","","0.0493","0.0428","","0.1094","0.1035","","","","1.064","1.057","1.057","","","","","has coordinates","179805","2020-10-21","18:00:00",""
"7010199","11.02","0.004","21.034","0.007","10.018","0.012","90","","90","","90","","2322","3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H8 O12 Ru4 -","- C18 H8 O12 Ru4 -","- C72 H32 O48 Ru16 -","4","1","","Clarke, Lionel P.; Davies, John E.; Raithby, Paul R.; Shields, Gregory P.","Novel coordination modes of partially hydrogenated diyne ligands on metal carbonyl clusters †","Journal of the Chemical Society, Dalton Transactions","2000","","24","4527","","10.1039/b006810l","","","0.71073","MoKα","","0.1043","0.0631","","0.1285","0.1122","","","","1.01","1.054","1.054","","","","","has coordinates","179805","2020-10-21","18:00:00",""
"7010204","7.514","0.006","11.991","0.004","13.584","0.002","90","","90","","90","","1223.9","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 Cl2 N Ti -","- C11 H13 Cl2 N Ti -","- C44 H52 Cl8 N4 Ti4 -","4","1","","Martins, Ana M.; Ascenso, José R.; de Azevedo, Cristina G.; Calhorda, Maria J.; Dias, Alberto R.; Rodrigues, Sandra S.; Toupet, Loîc; de Leonardis, Piero; Veiros, Luis F.","Titanium indenyldimethylamido complexes: synthesis, characterisation and theoretical calculations. Crystal structure of [Ti(η5-Ind)(NMe2)Cl2]","Journal of the Chemical Society, Dalton Transactions","2000","","23","4332","","10.1039/b006889f","","","0.71069","MoKα","","0.1032","0.0497","","","0.1075","0.1233","","","","","","1.006","","","","has coordinates","179806","2020-10-21","18:00:00",""
"7010214","6.405","0.0008","7.4178","0.0011","11.8428","0.0013","90","","90","","90","","562.66","0.13","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 H10 B Ga -","- C2 H10 B Ga -","- C8 H40 B4 Ga4 -","4","1","","Konietzny, Stefan; Fleischer, Holger; Parsons, Simon; Pulham, Colin R.","Structural characterisation of dimethylgallium tetrahydroborate and its adducts with diethyl ether and tetrahydrofuran","Journal of the Chemical Society, Dalton Transactions","2001","","3","304","","10.1039/b007026m","","","1.54178","CuKα","","0.0241","0.0234","","0.0589","0.0532","","","","1.208","1.21","1.21","","","","","has coordinates","179806","2020-10-21","18:00:00",""
"7010217","12.857","0.003","13.962","0.003","26.23","0.005","90","","90","","90","","4708.5","1.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H47 Li3 N8 O3 Sb2 -","- C35 H47 Li3 N8 O3 Sb2 -","- C140 H188 Li12 N32 O12 Sb8 -","4","1","","Coles, Simon J.; Hursthouse, Michael B.; Joy, Jonathan S.; Paver, Michael A.","A novel chiral distibine-centred polyimido anion","Journal of the Chemical Society, Dalton Transactions","2000","","19","3239","","10.1039/b007031i","","","0.71073","MoKα","","0.2253","0.0783","","","0.1682","0.2206","","","","","","0.951","","","","has coordinates,has disorder","179806","2020-10-21","18:00:00",""
"7010244","10.338","0.0006","13.956","0.0007","20.852","0.0011","90","","90","","90","","3008.5","0.3","293","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","[Al(L-2)Me2]","","- C29 H54 Al N3 O -","- C29 H54 Al N3 O -","- C116 H216 Al4 N12 O4 -","4","1","","Robson, David A.; Bylikin, Sergei Y.; Cantuel, Martine; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin","Neutral and cationic organometallic aluminium and indium complexes of mono-pendant arm triazacyclononane ligands","Journal of the Chemical Society, Dalton Transactions","2001","","2","157","","10.1039/b007323g","","","0.71073","MoKα","","0.0746","0.0715","","0.1466","0.1446","","","","1.41","1.421","1.421","","","","","has coordinates","179806","2020-10-21","18:00:00",""
"7010247","11.485","0.001","12.312","0.002","30.35","0.004","90","","90","","90","","4291.6","1","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H57 F6 N3 P Rh -","- C47 H57 F6 N3 P Rh -","- C188 H228 F24 N12 P4 Rh4 -","4","1","","Baker, Murray V.; Brown, David H.; Skelton, Brian W.; White, Allan H.","An investigation of 1,4,7-tri(4-alkynyl)-1,4,7-triazacyclononanes: ligand synthesis and metal co-ordination chemistry †","Journal of the Chemical Society, Dalton Transactions","2000","","24","4607","","10.1039/b007324p","","","0.71073","MoKα","","0.05","0.038","","0.044","","0.041","","","1.418","","","1.417","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7010251","15.541","0.004","21.235","0.003","14.199","0.004","90","","90","","90","","4685.9","1.9","296.2","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 B2 Cl4 Cr N12 O8 Yb -","- C32 H34 B2 Cl4 Cr N12 O8 Yb -","- C128 H136 B8 Cl16 Cr4 N48 O32 Yb4 -","4","1","","Subhan, Md. Abdus; Suzuki, Takayoshi; Kaizaki, Sumio","Stereospecific assembly of chiral Λ-Cr(III)-Δ-Ln(III)-oxalato-bridged dinuclear 3d‒4f complexes (Ln = Yb or Dy) and near infrared circular dichroism in the 4f→4f transitions","Journal of the Chemical Society, Dalton Transactions","2001","","4","492","","10.1039/b007369p","","","0.7107","MoKα","","","0.0765","","","","0.2428","","","","","","1.237","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010272","9.8964","0.0006","13.2721","0.0008","18.0016","0.0011","90","","90","","90","","2364.4","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Chlorodimethylsulfoxide(N-morpholino-N'-(+)-(1R)-menthyloxycarbonylthioureato) platinum(II)","","- C18 H33 Cl N2 O4 Pt S2 -","- C18 H33 Cl N2 O4 Pt S2 -","- C72 H132 Cl4 N8 O16 Pt4 S8 -","4","1","","Sacht, Cheryl; Datt, Michael S.; Otto, Stefanus; Roodt, Andreas","Synthesis, characterisation and coordination chemistry of novel chiral N,N-dialkyl-N '-menthyloxycarbonylthioureas. Crystal and molecular structures of N,N-diethyl-N '-(−)-(3R)-menthyloxycarbonylthiourea and cis-(S,S)-[Pt(L)Cl(DMSO)] [where HL = N-(+)-(3R)-menthyloxycarbonyl-N'-morpholinothiourea or N-benzoyl-N',N'-diethylthiourea]","Journal of the Chemical Society, Dalton Transactions","2000","","24","4579","","10.1039/b007589m","","","0.71073","MoKα","","0.0393","0.0296","","","0.0535","0.0565","","","","","","1.04","","","","has coordinates","179806","2020-10-21","18:00:00",""
"7010277","7.5637","0.0006","13.0402","0.001","13.4308","0.0009","90","","90","","90","","1324.71","0.17","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H5 B F5 N7 -","- C11 H5 B F5 N7 -","- C44 H20 B4 F20 N28 -","4","1","","Fraenk, Wolfgang; Klapötke, Thomas M.; Krumm, Burkhard; Nöth, Heinrich; Suter, Max; Warchhold, Marcus","Oligomeric pentafluorophenylboron azides","Journal of the Chemical Society, Dalton Transactions","2000","","24","4635","","10.1039/b007626k","","","0.71073","MoKα","","0.0546","0.038","","","0.0885","0.0945","","","","","","1.01","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7010315","10.7346","0.0002","14.3998","0.0003","20.3434","0.0002","90","","90","","90","","3144.6","0.09","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 Cl N2 O4 P Pd S -","- C31 H38 Cl N2 O4 P Pd S -","- C124 H152 Cl4 N8 O16 P4 Pd4 S4 -","4","1","","Leung, Pak-Hing; Qin, Ying; He, Guosen; Mok, K. F.; Vittal, Jagadese J.","Coordination chemistry, reactivities, and stereoelectronic properties of chelating phosphine ligands containing thioamide substituents","Journal of the Chemical Society, Dalton Transactions","2001","","3","309","","10.1039/b007970g","","","0.71073","MoKα","","0.0482","0.0379","","0.1025","0.0891","","","","1.045","1.052","1.052","","","","","has coordinates","179807","2020-10-21","18:00:00",""
"7010316","12.5862","0.0004","22.6849","0.0007","23.3035","0.0007","90","","90","","90","","6653.5","0.4","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Cl N2 O0.5 P Pd S -","- C33 H43 Cl N2 O0.5 P Pd S -","- C264 H344 Cl8 N16 O4 P8 Pd8 S8 -","8","2","","Leung, Pak-Hing; Qin, Ying; He, Guosen; Mok, K. F.; Vittal, Jagadese J.","Coordination chemistry, reactivities, and stereoelectronic properties of chelating phosphine ligands containing thioamide substituents","Journal of the Chemical Society, Dalton Transactions","2001","","3","309","","10.1039/b007970g","","","0.71073","MoKα","","0.0548","0.0362","","0.0805","0.0716","","","","1.06","1.044","1.044","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010359","9.7577","0.0001","14.1357","0.0002","16.231","0.0002","90","","90","","90","","2238.77","0.05","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 B11 Mo O3 -","- C14 H27 B11 Mo O3 -","- C56 H108 B44 Mo4 O12 -","4","1","","Patmore, Nathan J.; Mahon, Mary F.; Steed, Jonathan W.; Weller, Andrew S.","Synthesis and characterisation of {Mo(η-L)(CO)3}+ (η-L = C5H5 or C5Me5) fragments ligated with [CB11H12]− and derivatives. Isolation and structural characterisation of an intermediate in a silver salt metathesis reaction","Journal of the Chemical Society, Dalton Transactions","2001","","3","277","","10.1039/b008222h","","","0.71069","MoKα","","0.0279","0.0275","","","0.0825","0.0835","","","","","","0.988","","","","has coordinates","179807","2020-10-21","18:00:00",""
"7010391","13.7464","0.0007","19.9035","0.0006","24.8998","0.0008","90","","90","","90","","6812.6","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C77 H66 Co2 O4 P4 Ru Si -","- C77 H66 Co2 O4 P4 Ru Si -","- C308 H264 Co8 O16 P16 Ru4 Si4 -","4","1","","Snaith, Tom J.; Low, Paul J.; Rousseau, Roger; Puschmann, Horst; Howard, Judith A. K.","Structural and electronic variations in cobalt‒alkyne clusters †","Journal of the Chemical Society, Dalton Transactions","2001","","3","292","","10.1039/b008445j","","","0.71073","MoKα","","0.0324","0.028","","","0.0613","0.0635","","","","","","1.072","","","","has coordinates","179807","2020-10-21","18:00:00",""
"7010403","17.339","0.007","15.529","0.004","12.625","0.004","90","","90","","90","","3399","2","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H57 Cl5 Co N6 O4.5 -","- C23 H52 Cl5 Co N6 O4.505 -","- C92 H208 Cl20 Co4 N24 O18.02 -","4","1","","Choi, Min-Ho; Kim, Bok Jo; Kim, Il-Chool; Kim, Seo-Hyang; Kim, Yang; Harrowfield, Jack M.; Lee, Man-Kil; Mocerino, Mauro; Rukmini, Elisabeth; Skelton, Brian W.; White, Allan H.","Inter- and intra-molecular pathways in polyamine synthesis from diamines †","Journal of the Chemical Society, Dalton Transactions","2001","","5","707","","10.1039/b008452m","","","0.71073","MoKα","","0.06","0.046","","0.05","","0.048","","","1.945","","","1.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7010430","13.2591","0.0004","14.2123","0.0005","19.93","0.001","90","","90","","90","","3755.7","0.3","173.2","","173.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 F12 N4 O P3 Ru -","- C35 H33 F12 N4 O P3 Ru -","- C140 H132 F48 N16 O4 P12 Ru4 -","4","1","","Rogers, Cerrie W.; Patrick, Brian O.; Rettig, Steven J.; Wolf, Michael O.","Ligand-assisted O-dealkylation of bis(bipyridyl) ruthenium(II) phosphine-ether complexes †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1278","","10.1039/b008931l","","","0.7107","MoKα","","0.0839","0.048","","0.1191","","0.057","","","1.336","","","1.336","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010441","9.6722","0.0002","15.4694","0.0003","18.4553","0.0001","90","","90","","90","","2761.34","0.08","293","2","293","2","","","","","","","-","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Cl2 N O2 P2 Pd -","- C28 H27 Cl2 N O2 P2 Pd -","- C112 H108 Cl8 N4 O8 P8 Pd4 -","4","1","","Slawin, Alexandra M. Z.; Woollins, J. Derek; Zhang, Qingzhi","Novel chiral phosphine ligands and complexes from amino acid esters","Journal of the Chemical Society, Dalton Transactions","2001","","5","621","","10.1039/b009074n","","","0.71073","MoKα","","0.0177","0.0159","","0.0394","0.0389","","","","1.02","1.033","1.033","","","","","has coordinates","179808","2020-10-21","18:00:00",""
"7010442","9.679","0.0002","15.4917","0.0003","18.5","","90","","90","","90","","2773.97","0.08","293","2","293","2","","","","","","","-","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Cl2 N O2 P2 Pt -","- C28 H27 Cl2 N O2 P2 Pt -","- C112 H108 Cl8 N4 O8 P8 Pt4 -","4","1","","Slawin, Alexandra M. Z.; Woollins, J. Derek; Zhang, Qingzhi","Novel chiral phosphine ligands and complexes from amino acid esters","Journal of the Chemical Society, Dalton Transactions","2001","","5","621","","10.1039/b009074n","","","0.71073","MoKα","","0.0345","0.0248","","0.0591","0.0511","","","","0.433","0.438","0.438","","","","","has coordinates","179808","2020-10-21","18:00:00",""
"7010443","8.8209","0.0006","11.8478","0.0007","25.471","0.002","90","","90","","90","","2661.9","0.3","298","2","298","2","","","","","","","-","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 P2 S -","- C28 H27 N O2 P2 S -","- C112 H108 N4 O8 P8 S4 -","4","1","","Slawin, Alexandra M. Z.; Woollins, J. Derek; Zhang, Qingzhi","Novel chiral phosphine ligands and complexes from amino acid esters","Journal of the Chemical Society, Dalton Transactions","2001","","5","621","","10.1039/b009074n","","","0.71073","MoKα","","0.0505","0.0319","","0.0697","0.0627","","","","0.872","0.938","0.938","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7010444","8.4844","0.0001","14.1005","0.0002","21.196","0.0001","90","","90","","90","","2535.77","0.05","293","2","293","2","","","","","","","-","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O4 P2 -","- C28 H27 N O4 P2 -","- C112 H108 N4 O16 P8 -","4","1","","Slawin, Alexandra M. Z.; Woollins, J. Derek; Zhang, Qingzhi","Novel chiral phosphine ligands and complexes from amino acid esters","Journal of the Chemical Society, Dalton Transactions","2001","","5","621","","10.1039/b009074n","","","0.71073","MoKα","","0.0656","0.0351","","0.0905","0.0743","","","","0.546","0.619","0.619","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7010473","8.8575","0.0006","17.2298","0.001","17.6676","0.0011","90","","90","","90","","2696.3","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cr Mo2 N O7 -","- C28 H23 Cr Mo2 N O7 -","- C112 H92 Cr4 Mo8 N4 O28 -","4","1","","Casagrande, Jr., Osvaldo L.; Gomes, Elton L. S.; Dupont, Jairton; Burrow, Robert; Lough, Alan J.","Heterometallic metal carbonyl compounds derived from (η6-arene)tricarbonylchromium bearing propargyl units","Journal of the Chemical Society, Dalton Transactions","2001","","10","1634","","10.1039/b009591p","","","0.71073","MoKα","","0.0583","0.0481","","","0.1113","0.118","","","","","","1.041","","","","has coordinates","179808","2020-10-21","18:00:00",""
"7010513","6.6037","0.0003","13.3458","0.0007","15.0557","0.0007","90","","90","","90","","1326.88","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-chloro-2-(triethylamino)-1,3,2-benzodioxaborole","","- C12 H19 B Cl N O2 -","- C12 H19 B Cl N O2 -","- C48 H76 B4 Cl4 N4 O8 -","4","1","","Coapes, R. Benjamin; Souza, Fabio E. S.; Fox, Mark A.; Batsanov, Andrei S.; Goeta, Andrés E.; Yufit, Dimitrii S.; Leech, Michael A.; Howard, Judith A. K.; Scott, Andrew J.; Clegg, William; Marder, Todd B.","Phosphine promoted substituent redistribution reactions of B-chlorocatechol borane: molecular structures of ClBcat, BrBcat and L·ClBcat (cat = 1,2-O2C6H4; L = PMe3, PEt3, PBut3, PCy3, NEt3)†","Journal of the Chemical Society, Dalton Transactions","2001","","8","1201","","10.1039/b010025k","","","0.71073","MoKα","","0.0239","0.0234","","","0.0632","0.064","","","","","","1.048","","","","has coordinates","179809","2020-10-21","18:00:00",""
"7010552","13.506","0.002","14.668","0.004","30.918","0.009","90","","90","","90","","6125","3","220","1","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Complex-2","","","- C50 H82 Li3 N7 Si6 -","- C50 H82 Li3 N7 Si6 -","- C200 H328 Li12 N28 Si24 -","4","1","","Lisovskii, Anatoli; Botoshansky, Mark; Eisen, Moris S.","Towards the formation of dimeric and trimeric lithium benzamidinates: characterization of intermediate structures","Journal of the Chemical Society, Dalton Transactions","2001","","11","1692","","10.1039/b100251l","","","0.7107","MoKα","","0.1155","0.0383","","","0.0658","0.0811","","","","","","0.878","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010581","11.404","0.001","11.501","0.001","22.696","0.001","90","","90","","90","","2976.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H48 B9 N3 W -","- C21 H47 B9 N3 W -","- C84 H188 B36 N12 W4 -","4","1","","Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Wade, Ken","Tungsten(VI) metallacarborane imido complexes; hydrogen bonding to a bent imido ligand in {W(NtBu)2[N(H)C(Me)NHtBu](C2B9H11)} †","Journal of the Chemical Society, Dalton Transactions","2001","","8","1210","","10.1039/b100572n","","","0.71073","MoKα","","0.0273","0.0237","","0.0603","0.0543","","","","1.14","1.091","1.091","","","","","has coordinates","179809","2020-10-21","18:00:00",""
"7010595","9.316","0.002","10.2771","0.0004","29.617","0.0011","90","","90","","90","","2835.6","0.6","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 Al N O -","- C29 H44 Al N O -","- C116 H176 Al4 N4 O4 -","4","1","","Cameron, Paul A.; Gibson, Vernon C.; Redshaw, Carl; Segal, John A.; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","Synthesis and characterisation of neutral dialkylaluminium complexes stabilised by salicylaldiminato ligands, and their conversion to monoalkylaluminium cations †","Journal of the Chemical Society, Dalton Transactions","2001","","9","1472","","10.1039/b100743m","","","1.54178","CuKα","","0.0649","0.0523","","0.1392","0.1288","","","","1.058","1.065","1.065","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7010600","9.956","0.002","10.419","0.002","11.095","0.002","90","","90","","90","","1150.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","HBHA","[(2-hydroxybenzyl)(2-(imidazol-2-yl)ethyl)amine]","","- C12 H15 N3 O -","- C12 H15 N3 O -","- C48 H60 N12 O4 -","4","1","","Scarpellini, Marciela; Neves, Ademir; Bortoluzzi, Adailton João; Vencato, Ivo; Drago, Valderes; Ortiz, Wilson Aires; Zucco, César","A new FeIII(µ-OCH3)2(µ-OAc)FeIII complex containing phenolate and imidazole ligands as a structural model for the active site of non-heme diiron enzymes†","Journal of the Chemical Society, Dalton Transactions","2001","","18","2616","","10.1039/b100913n","","","0.71073","MoKα","","0.0852","0.0376","","","0.0853","0.0996","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7010630","9.785","0.002","14.327","0.003","16.454","0.003","90","","90","","90","","2306.7","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H12 N2 O8 Re2 -","- C24 H12 N2 O8 Re2 -","- C96 H48 N8 O32 Re8 -","4","1","","Czerwieniec, Rafał; Kapturkiewicz, Andrzej; Anulewicz-Ostrowska, Romana; Nowacki, Jacek","Monomeric and dimeric Re(i)(tricarbonyl)(8-quinolinato) complexes","Journal of the Chemical Society, Dalton Transactions","2001","","19","2756","2761","10.1039/b101357m","","","0.71073","MoKα","","0.0546","0.0403","","0.0917","0.0826","","","","1.058","1.066","1.066","","","","","has coordinates","180543","2020-10-21","18:00:00",""
"7010685","12.6126","0.0017","17.623","0.002","24.975","0.004","90","","90","","90","","5551.2","1.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H55 B Cl6 N11 O6 Tb -","- C48 H55 B Cl6 N11 O6 Tb -","- C192 H220 B4 Cl24 N44 O24 Tb4 -","4","1","","Motson, Graham R.; Mamula, Olimpia; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.; von Zelewsky, Alex","A C3-symmetric chiral hexadentate podand ligand based on a tris(pyrazolyl)borate core","Journal of the Chemical Society, Dalton Transactions","2001","","9","1389","","10.1039/b102295b","","","0.71073","MoKα","","0.0416","0.0357","","","0.0893","0.0914","","","","","","1.008","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7010736","10.9671","0.0004","11.814","0.0005","13.7591","0.0005","90","","90","","90","","1782.7","0.12","301","2","301","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena[chlorodimethyl(2-diphenylphosphinoethyl)stannane]","","- C16 H20 Cl O P Sn -","- C16 H20 Cl O P Sn -","- C64 H80 Cl4 O4 P4 Sn4 -","4","1","","Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.","Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media","Journal of the Chemical Society, Dalton Transactions","2001","","18","2593","","10.1039/b103107b","","","0.71073","MoKα","","0.0204","0.0183","","","0.0426","0.0432","","","","","","0.998","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010737","10.8817","0.0005","11.8135","0.0005","13.9015","0.0005","90","","90","","90","","1787.05","0.13","301","2","301","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena[bromodimethyl(2-diphenylphosphinoethyl)stannane]","","- C16 H20 Br O P Sn -","- C16 H20 Br O P Sn -","- C64 H80 Br4 O4 P4 Sn4 -","4","1","","Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.","Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media","Journal of the Chemical Society, Dalton Transactions","2001","","18","2593","","10.1039/b103107b","","","0.71073","MoKα","","0.0276","0.0222","","","0.0465","0.0478","","","","","","0.957","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010738","10.784","0.0004","11.9471","0.0005","14.238","0.0006","90","","90","","90","","1834.39","0.13","301","2","301","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena[iododimethyl(2-diphenylphosphinoethyl)stannane]","","- C16 H20 I O P Sn -","- C16 H20 I O P Sn -","- C64 H80 I4 O4 P4 Sn4 -","4","1","","Harrison, William T. A.; Howie, R. Alan; Munro, Craig M.; Wardell, James L.","Monomer‒polymer forms of solid, unsolvated, 5-coordinate halodimethyl(2-diphenylphosphinylethyl)stannanes, XMe2SnCH2CH2P(O)Ph2 (X = Cl, Br or I). Effects of different recrystallisation media","Journal of the Chemical Society, Dalton Transactions","2001","","18","2593","","10.1039/b103107b","","","0.71073","MoKα","","0.0202","0.0185","","","0.043","0.0436","","","","","","1.014","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010756","9.5045","0.0012","16.499","0.002","18.014","0.002","90","","90","","90","","2824.9","0.6","160","2","160","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O9 Ru3 S Si2 -","- C19 H18 O9 Ru3 S Si2 -","- C76 H72 O36 Ru12 S4 Si8 -","4","1","","Alcalde, M. I.; Carty, A. J.; Chi, Y.; Delgado, E.; Donnadieu, B.; Hernández, E.; Dallmann, K.; Sánchez-Nieves, J.","Syntheses of new ruthenium clusters containing sulfur, ynyl and diynyl ligands. Crystal structures of [Ru3(CO)9(µ-η2-SCCSiMe3)(µ3-η2-CCSiMe3)], [Ru4(CO)12(µ4-S)(µ-η2-CCSiMe3)2] and [Ru4(CO)9(µ-CO)2(µ4-S)(µ4-η2-C(SiMe3)C(CCSiMe3)]","Journal of the Chemical Society, Dalton Transactions","2001","","17","2502","","10.1039/b103202j","","","0.71073","MoKα","","0.0169","0.0166","","","0.0424","0.0426","","","","","","1.08","","","","has coordinates","179811","2020-10-21","18:00:00",""
"7010773","7.2864","0.0003","11.0392","0.0005","23.201","0.0011","90","","90","","90","","1866.2","0.14","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H8 N4 O13 Pb -","- C14 H8 N4 O13 Pb -","- C56 H32 N16 O52 Pb4 -","4","1","","Foreman, Mark R. St J.; Plater, M. John; Skakle, Janet M. S.","Synthesis and characterisation of polymeric and oligomeric lead(II) carboxylates","Journal of the Chemical Society, Dalton Transactions","2001","","12","1897","","10.1039/b103519n","","","0.71073","MoKα","","0.0347","0.0251","","","0.0418","0.0434","","","","","","0.929","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7010859","8.8737","0.0001","13.5627","0.0002","17.5293","0.0001","90","","90","","90","","2109.67","0.04","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl2 N O2 P Pd S -","- C18 H22 Cl2 N O2 P Pd S -","- C72 H88 Cl8 N4 O8 P4 Pd4 S4 -","4","1","","Zhang, Qingzhi; Slawin, Alexandra M. Z.; Woollins, J. Derek","Chiral palladium complexes from N-diphenylphosphinoamino methyl esters","Journal of the Chemical Society, Dalton Transactions","2001","","24","3598","","10.1039/b104571g","","","0.71073","MoKα","","0.0189","0.0168","","0.0454","0.0423","","","","1.008","1.021","1.021","","","","","has coordinates","179812","2020-10-21","18:00:00",""
"7010969","12.915","0.003","14.267","0.003","34.426","0.007","90","","90","","90","","6343","2","298","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C69 H92 Al B N2 O5 -","- C69 H92 Al B N2 O5 -","- C276 H368 Al4 B4 N8 O20 -","4","1","","Miguel-Angel Munoz-Hernandez; Michael L. McKee; Timothy S. Keizer; Burl C. Yearwood; David A. Atwood","Six-coordinate aluminium cations: characterization, catalysis, and theory","J. Chem. Soc., Dalton Trans.","2002","","3","410","414","10.1039/b106003c","","","0.71073","MoKα","","0.0736","0.0599","","","0.1393","0.1484","","","","","","1.138","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011081","9.0175","0.0003","10.1232","0.0003","21.1448","0.0007","90","","90","","90","","1930.22","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H32 N4 Ni O5 -","- C16 H32 N4 Ni O5 -","- C64 H128 N16 Ni4 O20 -","4","1","","Colin L. Weeks; Peter Turner; Ronald R. Fenton; Peter A. Lay","Nickel(II) complexes with amide ligands: oxidative dehydrogenation of the amines in a tetradentate diamide‒diamine ligand","J. Chem. Soc., Dalton Trans.","2002","","6","931","940","10.1039/b107378h","","","0.71069","MoKα","","0.0352","0.0303","","","0.0764","0.0795","","","","","","1.061","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011082","11.76","0.002","18.409","0.003","8.571","0.002","90","","90","","90","","1855.5","0.6","294","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N4 Ni O4 -","- C17 H26 N4 Ni O4 -","- C68 H104 N16 Ni4 O16 -","4","1","","Colin L. Weeks; Peter Turner; Ronald R. Fenton; Peter A. Lay","Nickel(II) complexes with amide ligands: oxidative dehydrogenation of the amines in a tetradentate diamide‒diamine ligand","J. Chem. Soc., Dalton Trans.","2002","","6","931","940","10.1039/b107378h","","","1.54178","CuKα","","0.0373","0.0339","","","0.0941","0.0967","","","","","","0.975","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011111","8.834","0.001","17.007","0.001","17.875","0.001","90","","90","","90","","2685.5","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-butyl-3-methylimidazolium tetraphenylborate","","- C32 H35 B N2 -","- C32 H35 B N2 -","- C128 H140 B4 N8 -","4","1","","Oleg Stenzel; Helgard G. Raubenheimer; Catharine Esterhuysen","Biphasic hydroformylation in new molten salts—analogies and differences to organic solvents","J. Chem. Soc., Dalton Trans.","2002","","6","1132","1138","10.1039/b107720a","","","0.71073","MoKα","","0.0436","0.0345","","","0.0772","0.0811","","","","","","1.052","","","","has coordinates,has disorder","179815","2020-10-21","18:00:00",""
"7011114","12.438","0.0013","14.4721","0.0014","19.13","0.002","90","","90","","90","","3443.5","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H44 Cl Cu3 N7 O13 Se -","- C20 H38 Cl Cu3 N7 O13 Se -","- C80 H152 Cl4 Cu12 N28 O52 Se4 -","4","1","","Tercero, Javier; Diaz, Carmen; Ribas, Juan; Mahía, José; Maestro, Miguel; Solans, X.","Synthesis, characterization, and magnetic properties of new complexes based on self-assembled homotrinuclear units CuII‒CuII‒CuII","Journal of the Chemical Society, Dalton Transactions","2002","","9","2040","","10.1039/b107851h","","","0.71073","MoKα","","0.0745","0.0326","","","0.0674","0.0756","","","","","","0.91","","","","has coordinates","179815","2020-10-21","18:00:00",""
"7011115","12.4518","0.0011","14.2871","0.0013","18.894","0.0017","90","","90","","90","","3361.2","0.5","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H44 Cl Cu3 N7 O13 Se -","- C20 H38 Cl Cu3 N7 O13 Se -","- C80 H152 Cl4 Cu12 N28 O52 Se4 -","4","1","","Tercero, Javier; Diaz, Carmen; Ribas, Juan; Mahía, José; Maestro, Miguel; Solans, X.","Synthesis, characterization, and magnetic properties of new complexes based on self-assembled homotrinuclear units CuII‒CuII‒CuII","Journal of the Chemical Society, Dalton Transactions","2002","","9","2040","","10.1039/b107851h","","","0.71073","MoKα","","0.0391","0.0319","","","0.0874","0.09","","","","","","1.042","","","","has coordinates","179815","2020-10-21","18:00:00",""
"7011175","11.6213","0.0003","19.6503","0.0005","19.6564","0.0005","90","","90","","90","","4488.8","0.2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H75 N7 O P Si3 U -","- C30 H75 N7 O P Si3 U -","- C120 H300 N28 O4 P4 Si12 U4 -","4","1","","Paul Roussel; Rita Boaretto; Andrew J. Kingsley; Nathaniel W. Alcock; Peter Scott","Reactivity of a triamidoamine complex of trivalent uranium","J. Chem. Soc., Dalton Trans.","2002","","7","1423","1428","10.1039/b108584k","","","0.71073","MoKα","","0.0664","0.0405","","","0.058","0.0645","","","","","","1.012","","","","has coordinates,has disorder","179815","2020-10-21","18:00:00",""
"7011244","12.434","0.0001","17.492","0.0002","24.978","0.0003","90","","90","","90","","5432.6","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H49 Cl4 Ga3 O13 Rh6 -","- C45 H49 Cl4 Ga3 O13 Rh6 -","- C180 H196 Cl16 Ga12 O52 Rh24 -","4","1","","Elena V. Grachova; Peter Jutzi; Beate Neumann; Lars O. Schebaum; Hans-Georg Stammler; Sergey P. Tunik","Unusual selective substitution of triply bridging carbonyl ligands for GaCp* in Rh6(CO)16. Synthesis and structural characterization of the Rh6(μ3-CO)4 −x(μ3-GaCp*)x(CO)12 clusters, x = 1‒4","J. Chem. Soc., Dalton Trans.","2002","","3","302","304","10.1039/b109327d","","","0.71073","MoKα","","0.0438","0.0319","","","0.0576","0.0615","","","","","","1.059","","","","has coordinates","179816","2020-10-21","18:00:00",""
"7011284","7.8382","0.0007","14.392","0.001","14.613","0.001","90","","90","","90","","1648.5","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 Mn N7 O6 -","- C10 H25 Mn N7 O6 -","- C40 H100 Mn4 N28 O24 -","4","1","","Lorenzo Tei; Alexander J. Blake; Claire Wilson; Martin Schröder","Synthesis of asymmetric derivatives of 1,4,7-triazacyclononane and trigonal prismatic Mn(II) complexes","J. Chem. Soc., Dalton Trans.","2002","","7","1247","1249","10.1039/b110126a","","","0.71073","MoKα","","0.0384","0.0329","","","0.078","0.0803","","","","","","0.994","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7011331","9.492","0.001","14.709","0.002","18.76","0.003","90","","90","","90","","2619.2","0.6","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H37 Co Fe N11 O4 -","- C17 H27 Co Fe N11 O4 -","- C68 H108 Co4 Fe4 N44 O16 -","4","1","","Paul V. Bernhardt; Brendan P. Macpherson; Manuel Martinez","The influence of cis/trans isomerism on the physical properties of a cyano-bridged dinuclear mixed valence complex","J. Chem. Soc., Dalton Trans.","2002","","7","1435","1441","10.1039/b110461f","","x-ray","0.71073","MoKα","","0.4689","0.1079","","","0.214","0.3623","","","","","","0.934","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011383","20.1584","0.0005","21.9138","0.0005","8.6859","0.0002","90","","90","","90","","3836.97","0.16","173.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl Mn N2 O2 -","- C20 H22 Cl Mn N2 O2 -","- C160 H176 Cl8 Mn8 N16 O16 -","8","2","","Hitoshi Miyasaka; Rodolphe Clérac; Tomohiko Ishii; Ho-Chol Chang; Susumu Kitagawa; Masahiro Yamashita","Out-of-plane dimers of Mn(III) quadridentate Schiff-base complexes with saltmen2− and naphtmen2− ligands: structure analysis and ferromagnetic exchange","J. Chem. Soc., Dalton Trans.","2002","","7","1528","1534","10.1039/b111094m","","","0.7107","MoKα","","","0.0324","","","","0.0777","","","","","","0.57","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011446","9.9624","0.001","19.5906","0.0017","34.329","0.003","90","","90","","90","","6700","1.1","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C18.5 H44 B10 Cl I Mo N5 O0.5 -","- C18.5 H43 B10 Cl I Mo N5 O0.5 -","- C148 H344 B80 Cl8 I8 Mo8 N40 O4 -","8","2","","Shaowu Du; Jason A. Kautz; Thomas D. McGrath; F. Gordon A. Stone","Amine‒nitrile coupling in amino-monocarbollide complexes of molybdenum","J. Chem. Soc., Dalton Trans.","2002","","8","1553","1558","10.1039/b111562f","","","0.71073","MoKα","","0.0607","0.0458","","","0.1025","0.1074","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7011466","10.201","0.0008","19.55","0.0016","22.391","0.0018","90","","90","","90","","4465.4","0.6","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H49 B Cu N9 P2 -","- C48 H49 B Cu N9 P2 -","- C192 H196 B4 Cu4 N36 P8 -","4","1","","Lobbia, Giancarlo Gioia; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; Somers, Neil; White, Allan H.","Copper(i) coordination polymers and mononuclear copper(i) complexes built from poly(1,2,4-triazolyl)borate ligands and tri-organophosphinesElectronic supplementary information available: conductivity data for compounds 1‒14. See http://www.rsc.org/suppdata/dt/b2/b200200k/","Journal of the Chemical Society, Dalton Transactions","2002","","11","2333","","10.1039/b200200k","","","0.71073","MoKα","","0.105","0.049","","0.055","","0.044","","","0.983","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7011516","11.6166","0.0006","14.3844","0.0008","20.31","0.001","90","","90","","90","","3393.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1b","","","- C32 H38 F3 N3 Si3 Zr -","- C32 H38 F3 N3 Si3 Zr -","- C128 H152 F12 N12 Si12 Zr4 -","4","1","","Jia, Li; Zhao, Jiquan; Ding, Errun; Brennessel, William W.","Synthesis, structures, and alkene hydrosilation activities of neutral tripodal amidozirconium alkyls","Journal of the Chemical Society, Dalton Transactions","2002","","13","2608","","10.1039/b200789d","","","0.71073","MoKα","","0.0231","0.021","","","0.0508","0.0519","","","","","","0.995","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011524","9.2","0.004","11.114","0.004","15.636","0.006","90","","90","","90","","1598.8","1.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","nido-CyMe~2~N-7-CB~10~H~12~","","","- C9 H29 B10 N -","- C9 H29 B10 N -","- C36 H116 B40 N4 -","4","1","","Batsanov, Andrei S.; Fox, Mark A.; Goeta, Andrés E.; Howard, Judith A. K.; Hughes, Andrew K.; Malget, John M.","A convenient cyanide-free “one-pot” synthesis of nido-Me3N-7-CB10H12 and nido-7-CB10H13−","Journal of the Chemical Society, Dalton Transactions","2002","","13","2624","","10.1039/b200930g","","","0.71073","MoKα","","0.0555","0.0428","","","0.1045","0.1153","","","","","","1.111","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011566","14.9495","0.0004","17.8488","0.0005","21.3756","0.0003","90","","90","","90","","5703.7","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 N6 O9 P2 Re2 S2 -","- C56 H56 N6 O9 P2 Re2 S2 -","- C224 H224 N24 O36 P8 Re8 S8 -","4","1","","Lazzaro, Antonio; Vertuani, Gianni; Bergamini, Paola; Mantovani, Nicoletta; Marchi, Andrea; Marvelli, Lorenza; Rossi, Roberto; Bertolasi, Valerio; Ferretti, Valeria","Synthesis, characterization, properties and structures of rhenium-(ii), -(iii), and -(v) complexes containing amino acids conjugated with a 2-aminothiazole ligand","Journal of the Chemical Society, Dalton Transactions","2002","","14","2843","","10.1039/b201609p","","","0.7107","MoKα","","0.067","0.0469","","","0.0999","0.1103","","","","","","1.04","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011597","9.6957","0.0007","11.3628","0.0008","13.8338","0.0014","90","","90","","90","","1524.1","0.2","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N8 Ni O2 -","- C12 H12 N8 Ni O2 -","- C48 H48 N32 Ni4 O8 -","4","1","","Galibert, Anne Marie; Cortadellas, Olivier; Soula, Brigitte; Donnadieu, Bruno; Fabre, Paul-Louis","Characterization of two conformers in the co-ordination chemistry of 3,4-bis(cyanamido)cyclobutane-1,2-dione dianion: syntheses, crystal structures, and electrochemical study of nickel(ii) complexes","Journal of the Chemical Society, Dalton Transactions","2002","","19","3743","","10.1039/b202085h","","","0.71073","MoKα","","0.0269","0.0252","","","0.0676","0.0688","","","","","","1.039","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011598","8.13","0.0002","8.373","0.0003","20.966","0.0006","90","","90","","90","","1427.21","0.07","122","1","122","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","LAMBDA(+)578-[(en)2Co(O2CCH=NH)]Br2,H2O","","- C6 H20 Br2 Co N5 O3 -","- C6 H18 Br2 Co N5 O3 -","- C24 H72 Br8 Co4 N20 O12 -","4","1","","Bendahl, Lars; Hammershøi, Anders; Jensen, Dan Kjærgaard; Larsen, Sine; Riisager, Anders; Sargeson, Alan M.; Sørensen, Henning Osholm","Metal complex amino acid synthons: syntheses, structures and stereoselective reactions of (iminoacetato)cobalt(iii) complexes","Journal of the Chemical Society, Dalton Transactions","2002","","15","3054","","10.1039/b202090d","","","0.71073","MoKα","","0.0479","0.0436","","","0.1114","0.1149","","","","","","1.28","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011601","7.7299","0.0011","9.736","0.002","16.638","0.003","90","","90","","90","","1252.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","complex 1","","","- C7 H17 N3 S3 V -","- C7 H16 N3 S3 V -","- C28 H64 N12 S12 V4 -","4","1","","Davies, Sian C.; Hughes, David L.; Konkol, Martin; Richards, Raymond L.; Sanders, J. Roger; Sobota, Piotr","Synthesis, structure and chemistry of vanadium(iv) and vanadium(v) compounds with substituted hydrazido(1‒) and hydrazido(2‒) ligands","Journal of the Chemical Society, Dalton Transactions","2002","","14","2811","","10.1039/b202098j","","","0.71069","Mo-Kα","","0.0608","0.0549","","0.1358","0.1301","","","","1.133","1.163","1.163","","","","","has coordinates","179820","2020-10-21","18:00:00",""
"7011681","10.027","0.0011","17.2766","0.0018","26.645","0.003","90","","90","","90","","4615.8","0.9","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H33 Cl4 Fe N6 O3 -","- C52 H33 Cl4 Fe N6 O3 -","- C208 H132 Cl16 Fe4 N24 O12 -","4","1","","Chen, Ching-Huei; Lee, Yu-Yi; Liau, Bing-Chuang; Elango, Shanmugham; Chen, Jyh-Horung; Hsieh, Hsi-Ying; Liao, Feng-Ling; Wang, Sue-Lein; Hwang, Lian-Pin","Chloro(N-p-nitrobenzoylimido-meso-tetraphenylporphyrinato)iron(iii): a high-spin complex","Journal of the Chemical Society, Dalton Transactions","2002","","15","3001","3006","10.1039/b202842p","","","0.71073","MoKα","","0.1331","0.0501","","","0.1115","0.1321","","","","","","0.866","","","","has coordinates","179820","2020-10-21","18:00:00",""
"7011690","7.473","0.0003","15.6217","0.0009","17.9713","0.0009","90","","90","","90","","2097.99","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl N4 P -","- C22 H22 Cl N4 P -","- C88 H88 Cl4 N16 P4 -","4","1","","Renard, Sylvie L.; Fisher, Julie; Kilner, Colin A.; Thornton-Pett, Mark; Kee, Terence P.","On the mechanisms of degenerate halogen exchange in phosphorus(iii) halides","Journal of the Chemical Society, Dalton Transactions","2002","","14","2921","","10.1039/b202942c","","","0.71073","MoKα","","0.0844","0.0528","","","0.0962","0.1101","","","","","","1.097","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011695","12.2944","0.0002","12.4471","0.0001","19.7477","0.0003","90","","90","","90","","3021.98","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 Cu N4 O10 -","- C26 H34 Cu N4 O10 -","- C104 H136 Cu4 N16 O40 -","4","1","","Ng, Chew Hee; Chong, Thiam Seong; Teoh, Siang Guan; Adams, Farook; Ng, Seik Weng","Reactions of a series of bis(??-amino acidato)copper(ii) complexes with formaldehyde and benzamide: aldol-type condensation versus Mannich aminomethylation","Journal of the Chemical Society, Dalton Transactions","2002","","17","3361","","10.1039/b202955c","","","0.71073","MoKα","","0.0807","0.0534","","","0.1233","0.1309","","","","","","0.946","","","","has coordinates","179820","2020-10-21","18:00:00",""
"7011744","12.814","0.003","18.98","0.004","25.24","0.005","90","","90","","90","","6139","2","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","lithio, sodio- (S)-N-(alpha-benzylmethyl)allylamide.thf","","","- C60 H84 Li4 N4 Na4 O4 -","- C60 H84 Li4 N4 Na4 O4 -","- C240 H336 Li16 N16 Na16 O16 -","4","1","","Andrews, Philip C.; Calleja, Simone M.; Maguire, Melissa","Solid state structures of homo- and hetero-bimetallic alkali metal complexes containing the dianion of (S)-N-(??-methylbenzyl)allylamine","Journal of the Chemical Society, Dalton Transactions","2002","","18","3640","","10.1039/b203470k","","","0.71073","MoKα","","0.1784","0.0724","","","0.138","0.1682","","","","","","0.971","","","","has coordinates","179821","2020-10-21","18:00:00",""
"7011757","8.778","0.0001","17.111","0.0002","17.448","0.0003","90","","90","","90","","2620.7","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H48 N2 P2 Ti -","- C21 H48 N2 P2 Ti -","- C84 H192 N8 P8 Ti4 -","4","1","","Ulrich Siemeling; Lars Kölling; Anja Stammler; Hans-Georg Stammler","Ansa-di(phosphaneiminato)titanium chelates: novel isolobal analogues of ansa-titanocene derivatives","J. Chem. Soc., Dalton Trans.","2002","","17","3277","3279","10.1039/b203606c","","","0.71073","MoKα","","0.0397","0.038","","","0.0938","0.0956","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7011818","8.3277","0.0002","10.4652","0.0003","36.0635","0.0008","90","","90","","90","","3142.97","0.14","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 Ge N O2 Si2 -","- C36 H35 Ge N O2 Si2 -","- C144 H140 Ge4 N4 O8 Si8 -","4","1","","Weinert, Charles S.; Fanwick, Phillip E.; Rothwell, Ian P.","Novel germanium(ii) binaphthoxide complexes: synthesis and crystal structure of (R,R)-[Ge{OC20H10(OSiMe3)-2'-(SiMe3)2-3,3'}2] and (R)-[Ge{O2C20H10(SiMe2Ph)2-3,3'}{NH3}]; catalytic function of Ge[N(SiMe3)2]2 for the mono-silylation of 3,3'-disubstituted-1,1'-bi-2,2'-naphthols","Journal of the Chemical Society, Dalton Transactions","2002","","15","2948","","10.1039/b204299a","","","0.71073","MO-Kα","","","0.044","","","","0.077","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011824","7.3207","0.0002","10.6852","0.0003","21.8939","0.0003","90","","90","","90","","1712.61","0.07","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C4 H22 Cd Cl2 N4 O9 S2 -","- C4 H22 Cd Cl2 N4 O9 S2 -","- C16 H88 Cd4 Cl8 N16 O36 S8 -","4","1","","Paul, Geo; Choudhury, Amitava; Rao, C. N. R.","Organically templated linear and layered cadmium sulfatesElectronic supplementary information (ESI) available: powder diffraction data for IV, view of I down the a-axis, the structure of II in the ac-plane and a polyhedral view of IV in the ab-plane. See http://www.rsc.org/suppdata/dt/b2/b204482j/","Journal of the Chemical Society, Dalton Transactions","2002","","20","3859","","10.1039/b204482j","","","0.71073","MoKα","","0.0287","0.024","","0.0507","0.0492","","","","1.051","1.068","1.068","","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011838","9.358","0.002","19.226","0.001","20.478","0.002","90","","90","","90","","3684.3","0.9","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H51 Cl2 P Ru -","- C42 H51 Cl2 P Ru -","- C168 H204 Cl8 P4 Ru4 -","4","1","","Baldwin, Richard; Bennett, Martin A.; Hockless, David C. R.; Pertici, Paolo; Verrazzani, Alessandra; Uccello Barretta, Gloria; Marchetti, Fabio; Salvadori, Piero","Synthesis, structures and dynamic NMR spectra of ??6-hexaethylbenzene complexes of ruthenium(0) and ruthenium(ii)","Journal of the Chemical Society, Dalton Transactions","2002","","23","4488","","10.1039/b204875m","","","1.5418","CuKα","","0.0307","0.0251","","0.0282","","0.0274","","","1.448","","","1.473","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7011871","13.131","0.002","14.297","0.002","17.2878","0.0002","90","","90","","90","","3245.5","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 Cl N3 P2 Ru -","- C36 H36 Cl N3 P2 Ru -","- C144 H144 Cl4 N12 P8 Ru4 -","4","1","","Raghuraman, Kannan; Krishnamurthy, Setharampattu S.; Nethaji, Munirathinam","Half-sandwich cyclopentadienyl ruthenium complexes of achiral and chiral diphosphazanes","Journal of the Chemical Society, Dalton Transactions","2002","","22","4289","","10.1039/b205247d","","","0.7107","MoKα","","0.1787","0.0634","","","0.0712","0.095","","","","","","1.006","","","","has coordinates","179822","2020-10-21","18:00:00",""
"7011877","6.5119","0.001","13.1352","0.0019","18.463","0.003","90","","90","","90","","1579.2","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Ag(1,3-[6]aneS2)NO2]","1,3-dithiacyclohexane silver(I) nitrite","","- C4 H8 Ag N O2 S2 -","- C4 H8 Ag N O2 S2 -","- C32 H64 Ag8 N8 O16 S16 -","8","2","","Brammer, Lee; Rodger, Colin S.; Blake, Alexander J.; Brooks, Neil R.; Champness, Neil R.; Cunningham, John W.; Hubberstey, Peter; Teat, Simon J.; Wilson, Claire; Schröder, Martin","Bridging mode flexibility of 1,3-dithiacyclohexane in silver(i) co-ordination polymers","Journal of the Chemical Society, Dalton Transactions","2002","","22","4134","","10.1039/b205278b","","","0.71073","MoKα","","0.0522","0.0368","","","0.0685","0.0723","","","","","","0.929","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7011882","8.7597","0.0005","15.1614","0.0011","19.4053","0.0011","90","","90","","90","","2577.2","0.3","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","jb240700","Silver(I)(in-4,10,15-trithia-1-aza-bicyclo[5.5.5]-heptadecane)toluenesulfonate","","- C22 H35 Ag N2 O3 S4 -","- C22 H35 Ag N2 O3 S4 -","- C88 H140 Ag4 N8 O12 S16 -","4","1","","Baumeister, Jan M.; Alberto, Roger; Ortner, Kirstin; Spingler, Bernhard; August Schubiger, P.; Kaden, Thomas A.","Central vs. peripheral Ag(i) coordination in NS3-open chain and cage ligands","Journal of the Chemical Society, Dalton Transactions","2002","","22","4143","","10.1039/b205287c","","","0.71073","MoKα","","0.022","0.0207","","","0.0528","0.0531","","","","","","1.106","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7011901","10.1352","0.0005","13.5105","0.0006","24.505","0.001","90","","90","","90","","3355.5","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl4 N3 O4 Pd S -","- C29 H37 Cl4 N3 O4 Pd S -","- C116 H148 Cl16 N12 O16 Pd4 S4 -","4","1","","MacLean, Elizabeth J.; Robinson, Richard I.; Teat, Simon J.; Wilson, Claire; Woodward, Simon","Transformation of sulfur dioxide to sulfate at a palladium centre","Journal of the Chemical Society, Dalton Transactions","2002","","18","3518","","10.1039/b205548a","","","0.71073","MoKα","","0.0643","0.0536","","","0.1311","0.1386","","","","","","1.067","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7012094","13.4629","0.0009","13.5585","0.0006","18.6936","0.0012","90","","90","","90","","3412.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 Cl2 Mn N3 -","- C32 H43 Cl2 Mn N3 -","- C128 H172 Cl8 Mn4 N12 -","4","1","","Gibson, Vernon C.; McTavish, Stuart; Redshaw, Carl; Solan, Gregory A.; White, Andrew J. P.; Williams, David J.","From monomeric to polymeric manganese complexes bearing bis(imino)pyridine and related ligands","Dalton Transactions","2003","","2","221","","10.1039/b207384f","","","1.54178","CuKα","","0.0543","0.0406","","0.1046","0.0902","","","","1.027","1.053","1.053","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012105","9.474","0.004","19.627","0.004","19.837","0.005","90","","90","","90","","3689","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(eta-3-dimethylallyl)[eta-2-{N,N-(diphenylphosphino) (phenyl, 3,5-dimethylpyrazolylphosphino) (S)-1-phenylethylamine}-kappa-P,N] palladium(II)hexafluorophosphate","","- C36 H40 F6 N3 P3 Pd -","- C36 H40 F6 N3 P3 Pd -","- C144 H160 F24 N12 P12 Pd4 -","4","1","","Mandal, Swadhin K.; Nagana Gowda, G. A.; Krishnamurthy, Setharampattu S.; Nethaji, Munirathinam","Palladium(ii) allyl complexes of chiral diphosphazane ligands: ambident coordination behaviour and stereodynamic studies in solutionOrganometallic chemistry of diphosphazanes. Part 17.11g.Electronic supplementary information (ESI) available: NMR and crystallographic data, stereodynamic behaviour schemes. See http://www.rsc.org/suppdata/dt/b2/b207447h/","Dalton Transactions","2003","","5","1016","","10.1039/b207447h","","","0.71073","MoKαlpha","","0.0604","0.0427","","","0.1081","0.1184","","","","","","1.105","","","","has coordinates","179825","2020-10-21","18:00:00",""
"7012119","8.9049","0.0005","12.2325","0.0008","14.0969","0.0011","90","","90","","90","","1535.56","0.18","173","","173","1","","","","","","","see text","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Br Cl N4 O5 Zn -","- C8 H20 Br Cl N4 O5 Zn -","- C32 H80 Br4 Cl4 N16 O20 Zn4 -","4","1","","Roland Reichenbach-Klinke; Manfred Zabel; Burkhard König","Synthesis and structure of cyclen hydroxylamine ligands and their zinc(II) complexes","Dalton Trans.","2003","","1","141","145","10.1039/b207571g","","","0.71073","MoKα","","0.0325","0.0308","","","0.0843","0.085","","","","","","1.073","","","","has coordinates","179825","2020-10-21","18:00:00",""
"7012236","9.7683","0.0003","10.0252","0.0003","19.9136","0.0007","90","","90","","90","","1950.12","0.11","150","","150","","","","","","","","?","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N4 O16 S3 U2 -","- C6 H10 N4 O16 S3 U2 -","- C24 H40 N16 O64 S12 U8 -","4","1","","Norquist, Alexander J.; Doran, Michael B.; Thomas, Paul M.; O'Hare, Dermot","Structural diversity in organically templated uranium sulfatesElectronic supplementary information (ESI) available: three-dimensional packing diagrams for USO-6‒USO-10. See http://www.rsc.org/suppdata/dt/b2/b209208e/","Dalton Transactions","2003","","6","1168","","10.1039/b209208e","","","0.71073","MoKα","","","0.0315","","","","0.0708","","","","","","0.8725","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012301","7.907","0.001","12.459","0.001","13.146","0.001","90","","90","","90","","1295.1","0.2","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 Cl2 Nb S3 -","- C9 H13 Cl2 Nb S3 -","- C36 H52 Cl8 Nb4 S12 -","4","1","","Dersch, Roland K.; Jungclas, Henrik; Lindsell, W. Edward; Rosair, Georgina M.","Synthesis and structures of monocyclopentadienylniobium complexes with bi- and tri-dentate dithiolate ligandsElectronic supplementary information (ESI) available: NMR data for compounds 1 and 2 in d8-toluene; cyclic voltammogram of compound 1; ESR spectrum of reduced compound 1. See http://www.rsc.org/suppdata/dt/b2/b209823g/","Dalton Transactions","2003","","1","126","","10.1039/b209823g","","","0.71073","MoKα","","0.0327","0.0297","","","0.0724","0.0742","","","","","","1.049","","","","has coordinates","179827","2020-10-21","18:00:00",""
"7012339","10.825","0.005","18.356","0.005","19.223","0.005","90","","90","","90","","3820","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 F6 Fe N6 O6 S2 -","- C34 H38 F6 Fe N6 O6 S2 -","- C136 H152 F24 Fe4 N24 O24 S8 -","4","1","","Pallavicini, Piersandro; Amendola, Valeria; Diaz Fernandez, Yuri; Ghisalberti, Marco; Linati, Laura; Mangano, Carlo; Manotti Lanfredi, Anna; Massera, Chiara","Bis-bidentate vs. bis-tridentate imino-heterocycle ligands in the formation of dinuclear helical complexes of Fe(ii)Electronic supplementary information (ESI) available: atomic positions, bond lengths and angles, anisotropic thermal parameters, hydrogen atom coordinates, data collection, and crystal parameters for all crystallographically characterized complexes; NMR spectra, including COSY, and CD spectra for ligand 3 and [FeII2(3)2]4+. See http://www.rsc.org/suppdata/dt/b2/b210137h/","Dalton Transactions","2003","","4","575","","10.1039/b210137h","","","0.71069","MoKα","","0.0505","0.0322","","","0.0624","0.0677","","","","","","0.77","","","","has coordinates","179827","2020-10-21","18:00:00",""
"7012345","7.9736","0.0004","12.2913","0.0006","14.1517","0.0009","90","","90","","90","","1386.95","0.13","120","2","120","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H24 Cl2 N2 O2 -","- C10 H24 Cl2 N2 O2 -","- C40 H96 Cl8 N8 O8 -","4","1","","Pulacchini, Sonia; Sibbons, Kevin F.; Shastri, Kirtida; Motevalli, Majid; Watkinson, Michael; Wan, Hayley; Whiting, Andrew; Lightfoot, Andrew P.","Synthesis of C2-symmetric aza- and azaoxa-macrocyclic ligands derived from (1R,2R)-1,2-diaminocyclohexane and their applications in catalysisBased on the presentation given at Dalton Discussion No. 5, 10?12th April 2003, Noordwijkerhout, The Netherlands.","Dalton Transactions","2003","","10","2043","","10.1039/b210285d","","x-ray","0.71073","MoKα","","0.1171","0.0542","","","0.083","0.1017","","","","","","0.901","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012410","12.1242","0.0009","13.6318","0.001","18.1656","0.0014","90","","90","","90","","3002.3","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H37 Cd Fe N3 O8 S2 -","- C22.2 H27 Cd Fe N3 O7.8 S2 -","- C88.8 H108 Cd4 Fe4 N12 O31.2 S8 -","4","1","","Caltagirone, Claudia; Bencini, Andrea; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Mariani, Palma; Papke, Ulrich; Tei, Lorenzo; Verani, Gaetano","Redox chemosensors: coordination chemistry towards CuII, ZnII, CdII, HgII, and PbII of 1-aza-4,10-dithia-7-oxacyclododecane ([12]aneNS2O) and its N-ferrocenylmethyl derivativeElectronic supplementary information (ESI) available: synthetic details including analytical and spectroscopic data for the isolated complexes. Ortep views of the coordination sphere around the metal centres in 1, 2 and 5. See http://www.rsc.org/suppdata/dt/b2/b210806m/","Dalton Transactions","2003","","5","901","","10.1039/b210806m","","","0.71073","MoKα","","0.0494","0.035","","0.1003","0.0982","","","","1.022","1.153","1.153","","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012414","8.95","0.002","11.98","0.003","14.746","0.004","90","","90","","90","","1581.1","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H17 Cd N3 O7 S2 -","- C8 H17 Cd N3 O7 S2 -","- C32 H68 Cd4 N12 O28 S8 -","4","1","","Caltagirone, Claudia; Bencini, Andrea; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Mariani, Palma; Papke, Ulrich; Tei, Lorenzo; Verani, Gaetano","Redox chemosensors: coordination chemistry towards CuII, ZnII, CdII, HgII, and PbII of 1-aza-4,10-dithia-7-oxacyclododecane ([12]aneNS2O) and its N-ferrocenylmethyl derivativeElectronic supplementary information (ESI) available: synthetic details including analytical and spectroscopic data for the isolated complexes. Ortep views of the coordination sphere around the metal centres in 1, 2 and 5. See http://www.rsc.org/suppdata/dt/b2/b210806m/","Dalton Transactions","2003","","5","901","","10.1039/b210806m","","","0.71073","MoKα","","0.0411","0.0226","","","0.0524","0.0564","","","","","","1.045","","","","has coordinates","179828","2020-10-21","18:00:00",""
"7012417","5.5067","0.0003","10.5119","0.0005","28.1794","0.0014","90","","90","","90","","1631.19","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cu N4 O8 S -","- C12 H10 Cu N4 O8 S -","- C48 H40 Cu4 N16 O32 S4 -","4","1","","Dong, Yu-Bin; Ma, Jian-Ping; Huang, Ru-Qi; Liang, Fang-Zhen; Smith, Mark D.","Synthesis and characterization of new coordination polymers generated from oxadiazole-containing ligand and inorganic M(ii) [M = Cu(ii), Co(ii)] salts","Dalton Transactions","2003","","8","1472","","10.1039/b210811a","","","0.71073","MoKα","","0.0394","0.0357","","","0.0844","0.0859","","","","","","1.009","","","","has coordinates,has disorder","179828","2020-10-21","18:00:00",""
"7012442","6.424","0.0001","9.2453","0.0002","16.2097","0.0003","90","","90","","90","","962.72","0.03","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H15 B F3 P -","- C6 H15 B F3 P -","- C24 H60 B4 F12 P4 -","4","1","","Monkowius, Uwe; Nogai, Stefan; Schmidbaur, Hubert","Trivinylphosphineborane (CH2CH)3PBH3 and related compounds","Dalton Transactions","2003","","5","987","","10.1039/b210991c","","","0.71073","MoKα","","0.0297","0.0297","","","0.0797","0.0797","","","","","","1.074","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012450","9.921","0.002","15.129","0.003","16.331","0.004","90","","90","","90","","2451.2","0.9","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Cl2 N4 P2 Zr -","- C16 H36 Cl2 N4 P2 Zr -","- C64 H144 Cl8 N16 P8 Zr4 -","4","1","","Moser, Daniel F.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.","Bis(tert-butylamido)- and bis(arylamido)cyclodiphosph(iii)azane complexes of Ti, V, Zr and Hf: ligand substituent effects and coordination number","Dalton Transactions","2003","","7","1402","","10.1039/b211009a","","","0.71073","MoKα","","0.0487","0.0412","","0.1073","0.1017","","","","1.016","1.023","1.023","","","","","has coordinates,has disorder","179828","2020-10-21","18:00:00",""
"7012451","9.937","0.003","15.132","0.004","16.414","0.005","90","","90","","90","","2468.1","1.2","213","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Cl2 Hf N4 P2 -","- C16 H36 Cl2 Hf N4 P2 -","- C64 H144 Cl8 Hf4 N16 P8 -","4","1","","Moser, Daniel F.; Grocholl, Luke; Stahl, Lothar; Staples, Richard J.","Bis(tert-butylamido)- and bis(arylamido)cyclodiphosph(iii)azane complexes of Ti, V, Zr and Hf: ligand substituent effects and coordination number","Dalton Transactions","2003","","7","1402","","10.1039/b211009a","","","0.71073","MoKα","","0.0511","0.0472","","0.1184","0.1138","","","","1.05","1.048","1.048","","","","","has coordinates,has disorder","179828","2020-10-21","18:00:00",""
"7012551","10.6269","0.0003","22.2662","0.0003","23.8287","0.0004","90","","90","","90","","5638.4","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H86 Li2 N4 O2 -","- C66 H86 Li2 N4 O2 -","- C264 H344 Li8 N16 O8 -","4","1","","Carey, David T.; Cope-Eatough, Elaine K.; Vilaplana-Mafé, Eva; Mair, Francis S.; Pritchard, Robin G.; Warren, John E.; Woods, Rebecca J.","Structures and reactions of monomeric and dimeric lithium diazapentadienyl complexes with electrophiles: synthesis of α-C,C'-dialkyl-β-diimines, and dissolution-reversible synthesis of an α-alkoxylithium-β-diimine","Dalton Transactions","2003","","6","1083","","10.1039/b212079h","","x-ray","0.71073","MoKα","","0.0679","0.0432","","","0.0763","0.0848","","","","","","1.082","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012556","12.214","0.002","16.428","0.003","21.749","0.004","90","","90","","90","","4364","1.3","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","(pR,R)-[1-(a-(Dicyclohexylphosphanyl)-ethyl)-2-(diphenylphosphanyl)-h6-benzene)Cr(CO)3","","- C43 H52 B Cr F4 O4 P2 Rh -","- C43 H48 B Cr F4 O4 P2 Rh -","- C172 H192 B4 Cr4 F16 O16 P8 Rh4 -","4","1","","Braun, Wolfgang; Salzer, Albrecht; Drexler, Hans-Joachim; Spannenberg, Anke; Heller, Detlef","Investigations into the hydrogenation of diolefins and prochiral olefins employing the ""Daniphos""-type ligands","Dalton Transactions","2003","","8","1606","1613","10.1039/b212095j","","","0.71073","MoKα","","0.0468","0.0347","","","0.0612","0.0639","","","","","","0.94","","","","has coordinates","179829","2020-10-21","18:00:00",""
"7012639","12.8885","0.0001","15.478","0.0002","22.8343","0.0003","90","","90","","90","","4555.17","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H78 Mg2 N2 O2 -","- C47 H78 Mg2 N2 O2 -","- C188 H312 Mg8 N8 O8 -","4","1","","Henderson, Kenneth W.; Honeyman, Gordon W.; Kennedy, Alan R.; Mulvey, Robert E.; Parkinson, John A.; Sherrington, David C.","Magnesium aryloxides: synthesis, structure, solution behavior and magnesiate ion formation","Dalton Transactions","2003","","7","1365","","10.1039/b212608g","","","0.71073","MoKα","","0.0548","0.0388","","","0.0747","0.0809","","","","","","1.046","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012645","7.823","0.002","7.827","0.002","43.999","0.009","90","","90","","90","","2694.1","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H38 Cl4 N4 O5 Pt2 -","- C16 H38 Cl4 N4 O5 Pt2 -","- C64 H152 Cl16 N16 O20 Pt8 -","4","1","","Samochocka, K.; Fokt, I.; Anulewicz-Ostrowska, R.; Przewloka, T.; Mazurek, A. P.; Fuks, L.; Lewandowski, W.; Kozerski, L.; Bocian, W.; Bednarek, E.; Lewandowska, H.; Sitkowski, J.; Priebe, W.","Platinum(ii) and palladium(ii) complexes with methyl 3,4-diamino-2,3,4,6-tetradeoxy-?-l-lyxo-hexopyranoside","Dalton Transactions","2003","","11","2177","","10.1039/b212681h","","","0.71073","MoKα","","0.0446","0.0423","","","0.1035","0.1052","","","","","","1.134","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012646","7.714","0.002","7.718","0.002","43.528","0.009","90","","90","","90","","2591.5","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H38 Cl4 N4 O5 Pd2 -","- C16 H38 Cl4 N4 O5 Pd2 -","- C64 H152 Cl16 N16 O20 Pd8 -","4","1","","Samochocka, K.; Fokt, I.; Anulewicz-Ostrowska, R.; Przewloka, T.; Mazurek, A. P.; Fuks, L.; Lewandowski, W.; Kozerski, L.; Bocian, W.; Bednarek, E.; Lewandowska, H.; Sitkowski, J.; Priebe, W.","Platinum(ii) and palladium(ii) complexes with methyl 3,4-diamino-2,3,4,6-tetradeoxy-?-l-lyxo-hexopyranoside","Dalton Transactions","2003","","11","2177","","10.1039/b212681h","","","0.71073","MoKα","","0.063","0.0621","","","0.1735","0.1745","","","","","","1.106","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012665","11.0515","0.0003","15.2435","0.0004","21.8989","0.0005","90","","90","","90","","3689.17","0.16","193","","193","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H53 N4 O2 Si2 Ta -","- C34 H53 N4 O2 Si2 Ta -","- C136 H212 N16 O8 Si8 Ta4 -","4","1","","Ru Son, Au Ji; Schweiger, Scott W.; Thorn, Matthew G.; Moses, John E.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of tantalum dimethylamides containing resolved 3,3'-disubstituted-1,1'-bi-2,2'-naphthoxide ligandsElectronic supplementary information (ESI) available: ORTEP views of (R)-7, (R,S)-8, (S)-9 and (S)-12. See http://www.rsc.org/suppdata/dt/b2/b212910h/","Dalton Transactions","2003","","8","1620","","10.1039/b212910h","","","0.71073","MO-Kα","","","0.045","","","","0.088","","","","","","1.016","","","","has coordinates","179830","2020-10-21","18:00:00",""
"7012668","10.216","0.0001","12.5988","0.0001","31.0769","0.0004","90","","90","","90","","3999.89","0.07","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H45 Cl2 N2 O2 Si2 Ta -","- C40 H45 Cl2 N2 O2 Si2 Ta -","- C160 H180 Cl8 N8 O8 Si8 Ta4 -","4","1","","Ru Son, Au Ji; Schweiger, Scott W.; Thorn, Matthew G.; Moses, John E.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of tantalum dimethylamides containing resolved 3,3'-disubstituted-1,1'-bi-2,2'-naphthoxide ligandsElectronic supplementary information (ESI) available: ORTEP views of (R)-7, (R,S)-8, (S)-9 and (S)-12. See http://www.rsc.org/suppdata/dt/b2/b212910h/","Dalton Transactions","2003","","8","1620","","10.1039/b212910h","","","0.71073","MO-Kα","","","0.048","","","","0.091","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012686","14.1076","0.0005","19.1111","0.0007","19.2936","0.0007","90","","90","","90","","5201.8","0.3","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Eu N4 Na O12.5 -","- C20 H25 Eu N4 Na O12.5 -","- C160 H200 Eu8 N32 Na8 O100 -","8","2","","Tedeschi, Christine; Azéma, Joëlle; Gornitzka, Heinz; Tisnès, Pierre; Picard, Claude","A solid-state study of eight-coordinate lanthanide(iii) complexes (Ln = Eu, Gd, Tb, Dy) with 1-hydroxy-2-pyridinone","Dalton Transactions","2003","","9","1738","","10.1039/b300159h","","","0.71073","MoKα","","0.0403","0.0315","","","0.067","0.0713","","","","","","1.023","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7012687","14.1145","0.0006","19.1011","0.0007","19.2734","0.0007","90","","90","","90","","5196.2","0.3","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Gd N4 Na O12.5 -","- C20 H25 Gd N4 Na O12.5 -","- C160 H200 Gd8 N32 Na8 O100 -","8","2","","Tedeschi, Christine; Azéma, Joëlle; Gornitzka, Heinz; Tisnès, Pierre; Picard, Claude","A solid-state study of eight-coordinate lanthanide(iii) complexes (Ln = Eu, Gd, Tb, Dy) with 1-hydroxy-2-pyridinone","Dalton Transactions","2003","","9","1738","","10.1039/b300159h","","","0.71073","MoKα","","0.0512","0.0316","","","0.0553","0.0626","","","","","","0.962","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7012702","9.011","0.003","15.511","0.003","23.932","0.003","90","","90","","90","","3345","1.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H35 Cl4 N2 O P Pd -","- C33 H32 Cl4 N2 O P Pd -","- C132 H128 Cl16 N8 O4 P4 Pd4 -","4","1","","Apfelbacher, Andreas; Braunstein, Pierre; Brissieux, Luc; Welter, Richard","New phosphino-oxazoline and related phosphino-iminolate palladium complexes; structure of an unusual zwitterionic dinuclear Pd(ii) complex","Dalton Transactions","2003","","9","1669","","10.1039/b300321n","","","0.71073","MoKα","","0.0971","0.0639","","","0.1277","0.1389","","","","","","1.006","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012703","10.545","0.001","17.361","0.001","24.694","0.001","90","","90","","90","","4520.8","0.5","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H59 Cl N3 O3 P Pd2 -","- C48 H59 Cl N3 O3 P Pd2 -","- C192 H236 Cl4 N12 O12 P4 Pd8 -","4","1","","Apfelbacher, Andreas; Braunstein, Pierre; Brissieux, Luc; Welter, Richard","New phosphino-oxazoline and related phosphino-iminolate palladium complexes; structure of an unusual zwitterionic dinuclear Pd(ii) complex","Dalton Transactions","2003","","9","1669","","10.1039/b300321n","","","0.7107","MoKα","","0.0556","0.0413","","","0.1031","0.1107","","","","","","1.032","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012704","8.541","0.005","13.825","0.005","20.676","0.005","90","","90","","90","","2441.4","1.8","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Cl4 N O P Pd -","- C23 H22 Cl4 N O P Pd -","- C92 H88 Cl16 N4 O4 P4 Pd4 -","4","1","","Apfelbacher, Andreas; Braunstein, Pierre; Brissieux, Luc; Welter, Richard","New phosphino-oxazoline and related phosphino-iminolate palladium complexes; structure of an unusual zwitterionic dinuclear Pd(ii) complex","Dalton Transactions","2003","","9","1669","","10.1039/b300321n","","","0.71069","MoKα","","0.0464","0.0307","","","0.0635","0.0698","","","","","","0.754","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012741","8.365","0.004","20.646","0.008","26.163","0.009","90","","90","","90","","4518","3","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Mn(2,2'-bipym)(4-Cl-phenyl-NCN)2(H2O))2","","","- C44 H32 Cl4 Mn2 N16 O2 -","- C44 H32 Cl4 Mn2 N16 O2 -","- C176 H128 Cl16 Mn8 N64 O8 -","4","1","","Albert Escuer; Franz A. Mautner; Núria Sanz; Ramon Vicente","Supramolecular systems built from phenylcyanamido ligands. Syntheses, crystal structures and magnetic properties","Dalton Trans.","2003","","11","2121","2125","10.1039/b300603d","","","0.71069","MoKα","","0.0645","0.0569","","0.1468","0.1393","","","","1.068","1.07","1.07","","","","","has coordinates","179831","2020-10-21","18:00:00",""
"7012846","9.594","0.0006","17.2591","0.0011","27.7148","0.0018","90","","90","","90","","4589.1","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N6 -","- C22 H32 N6 -","- C176 H256 N48 -","8","2","","Chen, Chi-Tien; Huang, Chi-An; Tzeng, Yi-Ren; Huang, Bor-Hunn","Synthesis and characterisation of aluminium and magnesium complexes supported by pendant oxalic amidinate ligands","Dalton Transactions","2003","","12","2585","","10.1039/b301744c","","","0.71073","MoKα","","0.1078","0.0688","","","0.1885","0.2078","","","","","","1.254","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7012916","9.0943","0.0002","11.6147","0.0002","21.0144","0.0004","90","","90","","90","","2219.7","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","[Ph2PC(NHCy)(NCy)]","","","- C25 H33 N2 P -","- C25 H33 N2 P -","- C100 H132 N8 P4 -","4","1","","Grundy, Joanna; Coles, Martyn P.; Hitchcock, Peter B.","Synthesis and coordination chemistry of neutral phospha(iii)guanidines. Formation of 1-aza-3-phospha-4-metallacyclobut-1-ene rings at group 6 metalsElectronic supplementary information (ESI) available: an ORTEP representation and bond lengths and angles for 3a; crystal structure and refinement data, bond lengths and angles and an ORTEP representation of the molecular structure of Mo(CO)4(pip)2. See http://www.rsc.org/suppdata/dt/b3/b302554c/","Dalton Transactions","2003","","12","2573","","10.1039/b302554c","","x-ray","0.71073","MoKα","","0.0406","0.0351","","","0.0751","0.0778","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7012923","10.748","0.005","13.214","0.006","23.706","0.009","90","","90","","90","","3367","3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H53 K O4 Zn3 -","- C26 H53 K O4 Zn3 -","- C104 H212 K4 O16 Zn12 -","4","1","","Merz, Klaus; Block, Stefan; Schoenen, Robert; Driess, Matthias","Facile synthesis and structural variation of novel heterobimetallic alkali metal?zinc-alkoxide and -siloxide clustersElectronic supplementary information (ESI) available: the ESI spectra of the reaction mixtures tBuOLi + ZnMe2, Me3SiOK + ZnMe2 and tBuOK + ZnMe2. See http://www.rsc.org/suppdata/dt/b3/b302585c/","Dalton Transactions","2003","","17","3365","","10.1039/b302585c","","","0.71073","MoKα","","0.0918","0.0625","","","0.1164","0.1259","","","","","","1.013","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012941","12.174","0.0002","14.5494","0.0003","21.0291","0.0005","90","","90","","90","","3724.77","0.13","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 Br3 Ga3 N3 S3 -","- C27 H39 Br3 Ga3 N3 S3 -","- C108 H156 Br12 Ga12 N12 S12 -","4","1","","Nogai, Stefan D.; Schmidbaur, Hubert","Preparation and structure of soluble complexes of the ternary compounds GaSBr and GaSeBr","Dalton Transactions","2003","","12","2488","","10.1039/b302815a","","","0.71073","MoKα","","0.0755","0.0561","","","0.0904","0.0988","","","","","","1.111","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7012992","9.1683","0.0002","9.582","0.0002","20.5132","0.0005","90","","90","","90","","1802.1","0.07","120","0.1","120","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 Cl2 O4 Pt Se2 -","- C12 H24 Cl2 O4 Pt Se2 -","- C48 H96 Cl8 O16 Pt4 Se8 -","4","1","","Hesford, Matthew J.; Levason, William; Matthews, Melissa L.; Reid, Gillian","Synthesis and complexation of the mixed tellurium?oxygen macrocycles 1-tellura-4,7-dioxacyclononane, [9]aneO2Te, and 1,10-ditellura-4,7,13,16-tetraoxacyclooctadecane, [18]aneO4Te2 and their selenium analogues","Dalton Transactions","2003","","14","2852","","10.1039/b303365c","","","0.71073","MoKα","","0.0555","0.055","","0.065","","0.065","","","2.334","","","2.33","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013009","9.752","0.0002","12.814","0.0003","20.142","0.0005","90","","90","","90","","2516.99","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","H2O Complex","","","- C9 H13 B11 Br6 Mo O4 -","- C9 H11 B11 Br6 Mo O4 -","- C36 H44 B44 Br24 Mo4 O16 -","4","1","","Patmore, Nathan J.; Ingleson, Michael J.; Mahon, Mary F.; Weller, Andrew S.","Investigation of the synthesis of {Mo(η5-C5H5)(CO)3}+ fragments partnered with the monoanionic carboranes [closo-CB11H11Br]-, [closo-CB11H6Br6]- and [closo-HCB11Me11]- by silver salt metathesis and hydride abstraction","Dalton Transactions","2003","","14","2894","2904","10.1039/b303537a","","","0.71073","MoKα","","0.0449","0.0383","","","0.0959","0.1009","","","","","","1.023","","","","has coordinates","219074","2020-10-21","18:00:00",""
"7013040","13.184","0.001","13.683","0.001","35.411","0.002","90","","90","","90","","6388","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 Cu2 N2 O13 S0.5 -","- C31 H37 Cu2 N2 O13 S0.5 -","- C248 H296 Cu16 N16 O104 S4 -","8","2","","Gudneppanavar Rajsekhar; Ajay K. Sah; Chebrolu P. Rao; Philippe Guionneau; Muktha Bharathy; T. N. GuruRow","Bis-(μ-saccharide-C-2-oxo) dinuclear Cu(II) complexes of 4,6-O-butylidene/ethylidene-N-(α-hydroxynaphthylidene/o-hydroxybenzylidene/5-bromo-o-hydroxybenzylidene)-β-D-glucopyranosylamine: structural aspects and data correlations","Dalton Trans.","2003","","15","3126","3135","10.1039/b303729k","","","0.71073","MoKα","","0.0588","0.0449","","","0.0761","0.0798","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013042","13.304","0.001","13.548","0.001","26.292","0.001","90","","90","","90","","4738.9","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H54 Cu2 N6 O12 -","- C50 H54 Cu2 N6 O12 -","- C200 H216 Cu8 N24 O48 -","4","1","","Gudneppanavar Rajsekhar; Ajay K. Sah; Chebrolu P. Rao; Philippe Guionneau; Muktha Bharathy; T. N. GuruRow","Bis-(μ-saccharide-C-2-oxo) dinuclear Cu(II) complexes of 4,6-O-butylidene/ethylidene-N-(α-hydroxynaphthylidene/o-hydroxybenzylidene/5-bromo-o-hydroxybenzylidene)-β-D-glucopyranosylamine: structural aspects and data correlations","Dalton Trans.","2003","","15","3126","3135","10.1039/b303729k","","","0.71073","MoKα","","0.0737","0.0535","","","0.0976","0.1049","","","","","","1.033","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013057","7.6348","0.0004","25.2598","0.0013","26.1515","0.0012","90","","90","","90","","5043.4","0.4","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H52 Gd Mn2 N9 O28 -","- C39 H52 Gd Mn2 N9 O28 -","- C156 H208 Gd4 Mn8 N36 O112 -","4","1","","Jean-Pierre Costes; Françoise Dahan; Bruno Donnadieu; Maria-Isabel Fernandez-Garcia; Maria-Jesus Rodriguez-Douton","Reaction of a manganese(III)-Schiff base complex with gadolinium nitrate: synthesis, structure and magnetic properties of an ionic species [LMn(H2O)2]2[Gd(NO3)5(MeOH)](H2L = 1,3-bis((3-methoxysalicylidene)amino)-2,2'-dimethylpropane)","Dalton Trans.","2003","","19","3776","3779","10.1039/b303882c","","","0.71073","MoKα","","0.0329","0.0306","","","0.0536","0.0546","","","","","","0.973","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013084","14.369","0.003","15.828","0.003","19.492","0.004","90","","90","","90","","4433.1","1.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H53 I Ir O P3 -","- C49 H53 I Ir O P3 -","- C196 H212 I4 Ir4 O4 P12 -","4","1","","Brym, Markus; Jones, Cameron; Waugh, Mark","The reactivity of an iridaphosphirene complex, [Ir{?C(But)P(Cy)}(CO)(PPh3)2], Cy = cyclohexyl, toward electrophiles","Dalton Transactions","2003","","14","2889","","10.1039/b304076n","","","0.71073","MoKα","","0.0334","0.0293","","","0.058","0.0594","","","","","","1.042","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013087","10.2611","0.0002","10.3294","0.0002","19.0505","0.0004","90","","90","","90","","2019.18","0.07","110","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,1ï-bis(4,6-dimethyl-1,3-dioxane-2-yl)-ferrocene","1,1ï-bis(4,6-dimethyl-1,3-dioxane-2-yl)-ferrocene","","- C22 H30 Fe O4 -","- C22 H30 Fe O4 -","- C88 H120 Fe4 O16 -","4","1","","Hartinger, Christian G.; Nazarov, Alexey A.; Chevchenko, Vladimir; Arion, Vladimir B.; Galanski, Markus; Keppler, Bernhard K.","Synthesis, crystal structures, and electrospray ionisation mass spectrometry investigations of ether- and thioether-substituted ferrocenes","Dalton Transactions","2003","","15","3098","","10.1039/b304115h","","","0.7107","MoKα","","0.0287","0.0248","","","0.0502","0.0512","","","","","","1.064","","","","has coordinates","179834","2020-10-21","18:00:00",""
"7013088","10.284","0.0004","10.9921","0.0003","17.9147","0.0007","90","","90","","90","","2025.13","0.12","110","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,1ï-bis(4,6-dimethyl-1,3-dioxane-2-yl)-ferrocene","1,1ï-bis(4,6-dimethyl-1,3-dioxane-2-yl)-ferrocene","","- C22 H30 Fe O4 -","- C22.004 H30 Fe O4 -","- C88.016 H120 Fe4 O16 -","4","1","","Hartinger, Christian G.; Nazarov, Alexey A.; Chevchenko, Vladimir; Arion, Vladimir B.; Galanski, Markus; Keppler, Bernhard K.","Synthesis, crystal structures, and electrospray ionisation mass spectrometry investigations of ether- and thioether-substituted ferrocenes","Dalton Transactions","2003","","15","3098","","10.1039/b304115h","","","0.71073","MoKα","","0.0563","0.0448","","","0.0741","0.077","","","","","","1.151","","","","has coordinates,has disorder","179834","2020-10-21","18:00:00",""
"7013169","6.654","0.001","9.262","0.002","22.169","0.004","90","","90","","90","","1366.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Au Cl2 N3 O -","- C12 H12 Au Cl2 N3 O -","- C48 H48 Au4 Cl8 N12 O4 -","4","1","","Yang, Ting; Tu, Chao; Zhang, Junyong; Lin, Liping; Zhang, Xianming; Liu, Qin; Ding, Jian; Xu, Qiang; Guo, Zijian","Novel Au(iii) complexes of aminoquinoline derivatives: crystal structure, DNA binding and cytotoxicity against melanoma and lung tumour cellsElectronic supplementary information (ESI) available: UV spectra of 3, 3 + NaCl, and 1 + calf thymus DNA; fluorescence spectra of the CT-DNA-EB system with increasing amounts of 1 or 3. See http://www.rsc.org/suppdata/dt/b3/b305109a/","Dalton Transactions","2003","","17","3419","","10.1039/b305109a","","","0.71073","MoKα","","0.097","0.0666","","","0.2143","0.28","","","","","","1.153","","","","has coordinates","179835","2020-10-21","18:00:00",""
"7013195","12.699","0.002","17.571","0.003","18.091","0.003","90","","90","","90","","4036.7","1.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 Cl3 Co2 N7 O16 -","- C32 H42 Cl3 Co2 N7 O16 -","- C128 H168 Cl12 Co8 N28 O64 -","4","1","","Mukherjee, Jhumpa; Balamurugan, V.; Gupta, Rajeev; Mukherjee, Rabindranath","Synthesis and properties of FeIII and CoIII complexes: structures of [(L2)Fe(N3)3], [(L2)2Fe2(�-O)(�-O2CMe)2][ClO4]2�2H2O and [(L2)2Co2(�-OH)2(�-O2CMe)][ClO4]3�MeCN [L2 = methyl[2-(2-pyridyl)ethyl](2-pyridylmethyl)amine]Electronic supplementary information (ESI) available: Fig. S1?S3 discussed in the text. See http://www.rsc.org/suppdata/dt/b3/b305470e/","Dalton Transactions","2003","","19","3686","","10.1039/b305470e","","","0.71073","MoKα","","0.083","0.0494","","","0.1036","0.1165","","","","","","0.947","","","","has coordinates","179835","2020-10-21","18:00:00",""
"7013198","9.0138","0.0007","11.1924","0.0009","14.6243","0.0011","90","","90","","90","","1475.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 Cl2 N4 Zn -","- C11 H18 Cl2 N4 Zn -","- C44 H72 Cl8 N16 Zn4 -","4","1","","Juan C. Mareque Rivas; Emiliano Salvagni; Rafael Torres Martín de Rosales; Simon Parsons","Internal hydrogen bonding in tetrahedral and trigonal bipyramidal zinc(II) complexes of pyridine-based ligands","Dalton Trans.","2003","","17","3339","3349","10.1039/b305476b","","","0.71073","MoKα","","0.0246","0.0236","","","0.0551","0.0554","","","","","","1.024","","","","has coordinates","179835","2020-10-21","18:00:00",""
"7013219","5.4276","0.0005","19.4615","0.0017","25.877","0.002","90","","90","","90","","2733.4","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H7 Bi F15 N S3 -","- C24 H7 Bi F15 N S3 -","- C96 H28 Bi4 F60 N4 S12 -","4","1","","Anderson, Kirsty M.; Baylies, Christian J.; Monowar Jahan, A. H. M.; Norman, Nicholas C.; Orpen, A. Guy; Starbuck, Jonathan","Coordination complexes of the bismuth(iii) thiolates Bi(SC6F5)3 and Bi(SC6Cl5)3 with pyridine ligands","Dalton Transactions","2003","","16","3270","","10.1039/b305711a","","","0.71073","MoKα","","0.0742","0.0406","","","0.064","0.0732","","","","","","0.978","","","","has coordinates","179836","2020-10-21","18:00:00",""
"7013266","7.8853","0.0001","15.8327","0.0001","18.7171","0.0002","90","","90","","90","","2336.75","0.04","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C84 H102 N4 O41 -","- C84 H102 N4 O41 -","- C84 H102 N4 O41 -","1","0.25","","Jin Zhao; Xiangge Zhou; Ana M. Santos; Eberhardt Herdtweck; Carlos C. Romão; Fritz E. Kühn","Molybdenum(VI)cis-dioxo complexes bearing sugar derived chiral Schiff-base ligands: synthesis, characterization, and catalytic applications","Dalton Trans.","2003","","19","3736","3742","10.1039/b306039j","","","0.71073","MoKα","","0.0291","0.0267","","","0.0647","0.0665","","","","","","1.063","","","","has coordinates","179836","2020-10-21","18:00:00",""
"7013268","16.0532","0.0001","8.0234","0.0001","18.8865","0.0001","90","","90","","90","","2432.6","0.04","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Mo N O12 -","- C21 H27 Mo N O12 -","- C84 H108 Mo4 N4 O48 -","4","1","","Jin Zhao; Xiangge Zhou; Ana M. Santos; Eberhardt Herdtweck; Carlos C. Romão; Fritz E. Kühn","Molybdenum(VI)cis-dioxo complexes bearing sugar derived chiral Schiff-base ligands: synthesis, characterization, and catalytic applications","Dalton Trans.","2003","","19","3736","3742","10.1039/b306039j","","","0.71073","MoKα","","0.0183","0.0179","","","0.0455","0.0457","","","","","","1.081","","","","has coordinates","179836","2020-10-21","18:00:00",""
"7013290","6.485","0.002","10.592","0.002","17.624","0.007","90","","90","","90","","1210.6","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Cl N2 Pt -","- C11 H15 Cl N2 Pt -","- C44 H60 Cl4 N8 Pt4 -","4","1","","Margarita Crespo; Mercè Font-Bardia; Jaume Granell; Manuel Martínez; Xavier Solans","Cyclometallation on platinum(II) complexes; the role of the solvent and added base donor capability on the reaction mechanisms","Dalton Trans.","2003","","19","3763","3769","10.1039/b306243k","","","0.71069","MoKα","","0.1948","0.0534","","","0.0704","0.0931","","","","","","0.918","","","","has coordinates","179836","2020-10-21","18:00:00",""
"7013323","11.9491","0.0003","12.7126","0.0004","19.7892","0.0006","90","","90","","90","","3006.06","0.15","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50.6 Al Cl0.4 N2 -","- C31 H50.613 Al Cl0.387 N2 -","- C124 H202.452 Al4 Cl1.548 N8 -","4","1","","Carey, David T.; Mair, Francis S.; Pritchard, Robin G.; Warren, John E.; Woods, Rebecca J.","Borane and alane reductions of bulky N,N?-diaryl-1,3-diimines: structural characterization of products and intermediates in the diastereoselective synthesis of 1,3-diaminesElectronic supplementary information (ESI) available: preparative and characterization details; substructure of 5. See http://www.rsc.org/suppdata/dt/b3/b306401h/","Dalton Transactions","2003","","19","3792","","10.1039/b306401h","","x-ray","0.71073","MoKα","","0.1201","0.0572","","","0.1016","0.1203","","","","","","0.985","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7013348","11.2412","0.0002","14.4595","0.0002","31.6436","0.0006","90","","90","","90","","5143.42","0.15","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H47 F12 N O2 P4 Pt S3 -","- C51 H47 F12 N O2 P4 Pt S3 -","- C204 H188 F48 N4 O8 P16 Pt4 S12 -","4","1","","Grant, Gregory J.; Pool, Jaime A.; VanDerveer, Donald G.","Chiral effects on a fluxional ligand: chiral diphosphine platinum(ii) complexes with thiacrowns","Dalton Transactions","2003","","20","3981","","10.1039/b306663k","","","0.71073","MoKα","","0.0379","0.0282","","","0.0553","0.0584","","","","","","0.986","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013364","11.6069","0.0014","10.8092","0.0014","14.188","0.002","90","","90","","90","","1780","0.4","294","1","294","1","","","","","","","synthesized by the authors, see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 As2 B9 Mo O2 -","- C9 H15 As2.132 B8.13 Mo O2 -","- C36 H60 As8.528 B32.52 Mo4 O8 -","4","1","","Bould, Jonathan; Kennedy, John D.; Ferguson, George; Tony Deeney, F.; O'Riordan, Gerald M.; Spalding, Trevor R.","Metallaheteroborane chemistry: Part 16.Part 15: ref. 1. Contrasting metal to heteroborane bonding modes in isoelectronic {MC2B9} and {MAs2B9} clusters. Synthesis and characterisation of [9-{Fe(CO)2(?5-C5H5)}-nido-7,8-C2B9H12], [7-{Fe(CO)2(?5-C5H5)}-nido-7,8-As2B9H10] and [7-{M(CO)2(?7-C7H7)}-nido-7,8-As2B9H10], where M is Mo or W","Dalton Transactions","2003","","23","4557","","10.1039/b306776a","","","0.7107","MoKα","","0.0592","0.0435","","","0.1048","0.1106","","","","","","1.036","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7013366","7.572","0.0001","10.3049","0.0002","28.3367","0.0006","90","","90","","90","","2211.08","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 O P -","- C26 H37 O P -","- C104 H148 O4 P4 -","4","1","","Malik, K. M. Abdul; Newman, Paul D.","Ligand ambivalence in pallada(platina)cyclic complexes of a rigid phosphine","Dalton Transactions","2003","","18","3516","","10.1039/b307070k","","","0.71073","MoKα","","0.062","0.0446","","","0.1011","0.1113","","","","","","1.055","","","","has coordinates","179837","2020-10-21","18:00:00",""
"7013369","15.8838","0.0004","17.5364","0.0005","25.245","0.0008","90","","90","","90","","7031.9","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H84 Cl2 O2 P2 Pd2 -","- C66 H84 Cl2 O2 P2 Pd2 -","- C264 H336 Cl8 O8 P8 Pd8 -","4","1","","Malik, K. M. Abdul; Newman, Paul D.","Ligand ambivalence in pallada(platina)cyclic complexes of a rigid phosphine","Dalton Transactions","2003","","18","3516","","10.1039/b307070k","","","0.71073","MoKα","","0.0924","0.0593","","","0.1501","0.1697","","","","","","1.058","","","","has coordinates","179837","2020-10-21","18:00:00",""
"7013370","16.6065","0.0002","17.2601","0.0002","20.6222","0.0003","90","","90","","90","","5910.94","0.13","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H74 Ag2 F6 O8 P2 S2 -","- C54 H74 Ag2 F6 O8 P2 S2 -","- C216 H296 Ag8 F24 O32 P8 S8 -","4","1","","Malik, K. M. Abdul; Newman, Paul D.","Ligand ambivalence in pallada(platina)cyclic complexes of a rigid phosphine","Dalton Transactions","2003","","18","3516","","10.1039/b307070k","","","0.71073","MoKα","","0.0902","0.0598","","","0.1463","0.1646","","","","","","1.009","","","","has coordinates","179837","2020-10-21","18:00:00",""
"7013447","9.799","0.003","14.917","0.006","29.534","0.009","90","","90","","90","","4317","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H64 N2 P2 Ti -","- C44 H64 N2 P2 Ti -","- C176 H256 N8 P8 Ti4 -","4","1","","Hollink, Emily; Stewart, Jeffrey C.; Wei, Pingrong; Stephan, Douglas W.","Ti and Zr bidentate bis-phosphinimide complexes","Dalton Transactions","2003","","20","3968","","10.1039/b308114a","","","0.71073","MoKα","","0.1801","0.0871","","","0.1277","0.1605","","","","","","1.028","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013583","8.8894","0.0003","12.661","0.0003","60.1359","0.0003","90","","90","","90","","6768.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H110 Co2 O6 P2 -","- C62 H110 Co2 O6 P2 -","- C248 H440 Co8 O24 P8 -","4","1","","Polas, Anastasios; Wilton-Ely, James D. E. T.; Slawin, Alexandra M. Z.; Foster, Douglas F.; Steynberg, Petrus J.; Green, Michael J.; Cole-Hamilton, David J.","Limonene-derived phosphines in the cobalt-catalysed hydroformylation of alkenes","Dalton Transactions","2003","","24","4669","","10.1039/b310233e","","","0.71073","MoKα","","0.1989","0.1046","","","0.2785","0.3391","","","","","","0.994","","","","has coordinates","179839","2020-10-21","18:00:00",""
"7013595","8.7123","0.0011","11.3762","0.0014","16.496","0.002","90","","90","","90","","1635","0.3","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O5 P2 S -","- C14 H18 O5 P2 S -","- C56 H72 O20 P8 S4 -","4","1","","Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek","A structural study of 1,8-bis(dimethyl phosphonito) naphthalene and related crowded chalcogeno derivatives","Dalton Transactions","2003","","20","3876","","10.1039/b310392g","","","0.71073","MoKα","","0.0528","0.0391","","","0.0785","0.0819","","","","","","0.945","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7013624","12.19","0.002","15.107","0.003","16.424","0.003","90","","90","","90","","3024.6","1","150","","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 K O8 Ti -","- C34 H33 K O8 Ti -","- C136 H132 K4 O32 Ti4 -","4","1","","Petrella, Antonella J.; Craig, Donald C.; Lamb, Robert N.; Raston, Colin L.; Roberts, Nicholas K.","A facile route to hetero-bimetallic Ti(iv)-alkali metal calix[4]arene complexes","Dalton Transactions","2003","","24","4590","","10.1039/b310635g","","","0.71073","MoKα","","","0.033","","","","0.047","","","","","","1.1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7013643","8.1753","0.0016","9.5485","0.0019","24.017","0.005","90","","90","","90","","1874.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 Mn N10 -","- C18 H10 Mn N10 -","- C72 H40 Mn4 N40 -","4","1","","Armentano, Donatella; de Munno, Giovanni; Guerra, Francesca; Faus, Juan; Lloret, Francesc; Julve, Miguel","2,2?-Bipyrimidine- and 2,3-bis(2-pyridyl)pyrazine-containing manganese(ii) compounds: structural and magnetic properties","Dalton Transactions","2003","","24","4626","","10.1039/b311007a","","","0.71073","MoKα","","0.0596","0.0356","","","0.0716","0.0791","","","","","","0.962","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013657","9.0341","0.001","21.647","0.002","32.496","0.003","90","","90","","90","","6355","1.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H68 Cl2 O9 P2 Pt -","- C59 H68 Cl2 O9 P2 Pt -","- C236 H272 Cl8 O36 P8 Pt4 -","4","1","","van der Vlugt, Jarl Ivar; Sablong, Rafael; Mills, Allison M.; Kooijman, Huub; Spek, Anthony L.; Meetsma, Auke; Vogt, Dieter","Coordination chemistry and X-ray studies with novel sterically constrained diphosphonite ligands","Dalton Transactions","2003","","24","4690","","10.1039/b311328k","","","0.71073","MoKα","","0.0617","0.047","","","0.1038","0.1084","","","","","","1.046","","","","has coordinates","179840","2020-10-21","18:00:00",""
"7013697","6.9851","0.0004","12.5908","0.0007","22.479","0.002","90","","90","","90","","1977","0.2","90.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Ag N6 O2 -","- C17 H25 Ag N6 O2 -","- C68 H100 Ag4 N24 O8 -","4","1","","Yamada, Susumu; Ishida, Takayuki; Nogami, Takashi","Supramolecular triangular and linear arrays of metal-radical solids using pyrazolato-silver(I) motifs.","Dalton transactions (Cambridge, England : 2003)","2004","","6","898","903","10.1039/b312406a","","","0.7107","MoKα","","","0.0462","","","","0.1275","","","","","","1.676","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7013737","12.7005","0.0004","15.5585","0.0005","20.1853","0.0006","90","","90","","90","","3988.6","0.2","218","2","218","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H40 B N6 Tl -","- C48 H40 B N6 Tl -","- C192 H160 B4 N24 Tl4 -","4","1","","Rheingold, Arnold L.; Liable-Sands, Louise M; Golen, James A.; Yap, Glenn P. A.; Trofimenko, Swiatoslaw","The coordination chemistry of the hydrotris(3-diphenylmethylpyrazol-1-yl)borate (Tp(CHPh2)) ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","598","604","10.1039/b313785f","","","0.71073","MoKα","","0.0319","0.0275","","0.0886","0.0656","","","","0.836","0.848","0.848","","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013776","10.887","0.0009","12.584","0.002","13.184","0.0015","90","","90","","90","","1806.2","0.4","122","1","122","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H26 Cl Mn N4 O9 S -","- C10 H26 Cl Mn N4 O9 S -","- C40 H104 Cl4 Mn4 N16 O36 S4 -","4","1","","Mossin, Susanne; Weihe, Høgni; Sørensen, Henning Osholm; Lima, Nicola; Sessoli, Roberta","Rationalisation of weak ferromagnetism in manganese(III) chains: the relation between structure and ordering phenomena.","Dalton transactions (Cambridge, England : 2003)","2004","","4","632","639","10.1039/b314355d","","","0.71073","MoKα","","0.0366","0.0314","","","0.0823","0.0848","","","","","","1.026","","","","has coordinates","179841","2020-10-21","18:00:00",""
"7013797","11.1719","0.0008","18.795","0.002","20.625","0.003","90","","90","","90","","4330.8","0.8","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H62 Mg N4 O2 -","- C48 H62 Mg N4 O2 -","- C192 H248 Mg4 N16 O8 -","4","1","","Dove, Andrew P.; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Williams, David J.","Magnesium and zinc complexes of a potentially tridentate beta-diketiminate ligand.","Dalton transactions (Cambridge, England : 2003)","2004","","4","570","578","10.1039/b314760f","","","1.54178","CuKα","","0.1056","0.064","","0.1614","0.13","","","","1.079","1.126","1.126","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7013876","8.8025","0.0003","14.5648","0.0006","37.518","0.002","90","","90","","90","","4810.1","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H17 Cd N3 O6 S3 -","- C8 H16.3333 Cd N3 O6 S3 -","- C96 H196 Cd12 N36 O72 S36 -","12","3","","Glenny, Mark W.; van de Water, Leon G. A.; Driessen, Willem L.; Reedijk, Jan; Blake, Alexander J.; Wilson, Claire; Schröder, Martin","Conformational and stereochemical flexibility in cadmium(II) complexes of aza-thioether macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1953","1959","10.1039/b315726a","","","0.71073","MoKα","","0.0451","0.0444","","","0.115","0.115","","","","","","1.07","","","","has coordinates,has disorder","179842","2020-10-21","18:00:00",""
"7013877","10.2949","0.0007","12.8171","0.0008","12.8662","0.0008","90","","90","","90","","1697.7","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 Cd N3 O8 S2 -","- C10 H21 Cd N3 O8 S2 -","- C40 H84 Cd4 N12 O32 S8 -","4","1","","Glenny, Mark W.; van de Water, Leon G. A.; Driessen, Willem L.; Reedijk, Jan; Blake, Alexander J.; Wilson, Claire; Schröder, Martin","Conformational and stereochemical flexibility in cadmium(II) complexes of aza-thioether macrocycles.","Dalton transactions (Cambridge, England : 2003)","2004","","13","1953","1959","10.1039/b315726a","","","0.71073","MoKα","","0.0156","0.0153","","","0.0395","0.0397","","","","","","1.052","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7013907","12.4866","0.0003","13.9788","0.0004","14.9053","0.0004","90","","90","","90","","2601.69","0.12","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Manganese(iii)-tetrachlorocatechol-2-((bis(pyridin-2- ylmethyl)amino)methyl) -4-nitrophenol","Manganese(III)-tetrachlorocatechol-2-((bis(pyridin-2-ylmethyl)amino)methyl) -4-nitrophenol","","- C25 H17 Cl4 Mn N4 O5 -","- C25 H17 Cl4 Mn N4 O5 -","- C100 H68 Cl16 Mn4 N16 O20 -","4","1","","Reddig, Nicole; Pursche, Daniel; Rompel, Annette","Unique example of flexible phenol coordination in mononuclear manganese compounds.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1474","1480","10.1039/b316305a","","","1.54178","CuKα","","0.0645","0.0587","","","0.1439","0.1468","","","","","","0.998","","","","has coordinates","179843","2020-10-21","18:00:00",""
"7013933","3.8239","0.0004","16.5567","0.0017","24.639","0.003","90","","90","","90","","1559.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N5 O3 -","- C17 H15 N5 O3 -","- C68 H60 N20 O12 -","4","1","","Jain, Sneh L.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Crayston, Joe A.; Woollins, J. Derek","New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","6","862","871","10.1039/b316519a","","","0.71073","MoKα","","0.1898","0.0687","","","0.1269","0.1707","","","","","","0.941","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014062","6.666","0.001","17.697","0.005","18.595","0.008","90","","90","","90","","2193.6","1.2","190","2","190","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 Cl N O2 Ru -","- C23 H30 Cl N O2 Ru -","- C92 H120 Cl4 N4 O8 Ru4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Arene-ruthenium complexes with salicyloxazolines: diastereoselective synthesis, configurational stability and applications as asymmetric catalysts for Diels-Alder reactions.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1481","1492","10.1039/b400747f","","","0.71073","MoKα","","0.0383","0.0343","","","0.0843","0.0875","","","","","","1.037","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014064","10.5418","0.001","16.1518","0.0015","16.8105","0.0016","90","","90","","90","","2862.3","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 F6 N2 O2 Ru Sb -","- C27 H33 F6 N2 O2 Ru Sb -","- C108 H132 F24 N8 O8 Ru4 Sb4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Arene-ruthenium complexes with salicyloxazolines: diastereoselective synthesis, configurational stability and applications as asymmetric catalysts for Diels-Alder reactions.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1481","1492","10.1039/b400747f","","","0.71073","MoKα","","0.0454","0.0374","","","0.0616","0.064","","","","","","0.925","","","","has coordinates","179844","2020-10-21","18:00:00",""
"7014148","7.7909","0.0001","8.1618","0.0001","17.2498","0.0003","90","","90","","90","","1096.88","0.03","143","2","143","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 As O3 -","- C12 H9 As O3 -","- C48 H36 As4 O12 -","4","1","","Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert","Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).","Dalton transactions (Cambridge, England : 2003)","2004","","10","1610","1617","10.1039/b401988a","","","0.71073","MoKα","","0.0178","0.0177","","","0.0467","0.0468","","","","","","1.127","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014174","9.473","0.002","11.958","0.002","13.066","0.003","90","","90","","90","","1480.1","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 F4 N6 S -","- C9 H18 F4 N6 S -","- C36 H72 F16 N24 S4 -","4","1","","Kingston, Melanie; Chen, Shan-Jia; Lork, Enno; Mews, Rüdiger","Anionic triazine systems.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1400","1404","10.1039/b402527j","","","0.71073","MoKα","","0.049","0.0428","","","0.113","0.1195","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014178","10.462","0.002","11.035","0.005","18.321","0.006","90","","90","","90","","2115.1","1.2","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Cl2 Co N7 O10 -","- C12 H26 Cl2 Co N7 O10 -","- C48 H104 Cl8 Co4 N28 O40 -","4","1","","Saha, Manas K.; Mukhopadhyay, Uday; Bernal, Ivan","Cleavage of the peptide bond of beta-alanyl-L-histidine (carnosine) induced by a Co(III)-amine complexes: reaction, structure and mechanism.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1466","1473","10.1039/b402571g","","x-ray","0.71073","MoKα","","0.055","0.0409","","","0.1093","0.1176","","","","","","1.018","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014180","10.884","0.004","11.473","0.006","18.104","0.005","90","","90","","90","","2260.7","1.6","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H30 Cl2 Co N7 O12 -","- C12 H26 Cl2 Co N7 O12 -","- C48 H104 Cl8 Co4 N28 O48 -","4","1","","Saha, Manas K.; Mukhopadhyay, Uday; Bernal, Ivan","Cleavage of the peptide bond of beta-alanyl-L-histidine (carnosine) induced by a Co(III)-amine complexes: reaction, structure and mechanism.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1466","1473","10.1039/b402571g","","x-ray","0.71073","MoKα","","0.0636","0.0419","","","0.1148","0.1253","","","","","","1.06","","","","has coordinates","179845","2020-10-21","18:00:00",""
"7014210","9.4038","0.0006","13.7359","0.0009","20.1269","0.0013","90","","90","","90","","2599.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H40 Cl2 N6 Ni O9 -","- C16 H40 Cl2 N6 Ni O9 -","- C64 H160 Cl8 N24 Ni4 O36 -","4","1","","Ye, Neng; Park, Gyungse; Przyborowska, Ann M.; Sloan, Paula E.; Clifford, Thomas; Bauer, Cary B.; Broker, Grant A.; Rogers, Robin D.; Ma, Rong; Torti, Suzy V.; Brechbiel, Martin W.; Planalp, Roy P.","Nickel(II), copper(II) and zinc(II) binding properties and cytotoxicity of tripodal, hexadentate tris(ethylenediamine)‒analogue chelators.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1304","1311","10.1039/b403476g","","x-ray","0.71073","MoKα","","0.1064","0.0561","","","0.0907","0.1048","","","","","","1.017","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014211","13.3903","0.0011","16.0536","0.0012","17.8755","0.0014","90","","90","","90","","3842.6","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 Cl2 Cu N6 O8 -","- C33 H48 Cl2 Cu N6 O8 -","- C132 H192 Cl8 Cu4 N24 O32 -","4","1","","Ye, Neng; Park, Gyungse; Przyborowska, Ann M.; Sloan, Paula E.; Clifford, Thomas; Bauer, Cary B.; Broker, Grant A.; Rogers, Robin D.; Ma, Rong; Torti, Suzy V.; Brechbiel, Martin W.; Planalp, Roy P.","Nickel(II), copper(II) and zinc(II) binding properties and cytotoxicity of tripodal, hexadentate tris(ethylenediamine)‒analogue chelators.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1304","1311","10.1039/b403476g","","x-ray","0.71073","MoKα","","0.0905","0.0519","","","0.1009","0.1172","","","","","","1.107","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014212","14.26","0.002","14.79","0.002","17.453","0.002","90","","90","","90","","3680.9","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H49 Cl2 N6 O4.5 Zn -","- C33 H48 Cl2 N6 O4.5 Zn -","- C132 H192 Cl8 N24 O18 Zn4 -","4","1","","Ye, Neng; Park, Gyungse; Przyborowska, Ann M.; Sloan, Paula E.; Clifford, Thomas; Bauer, Cary B.; Broker, Grant A.; Rogers, Robin D.; Ma, Rong; Torti, Suzy V.; Brechbiel, Martin W.; Planalp, Roy P.","Nickel(II), copper(II) and zinc(II) binding properties and cytotoxicity of tripodal, hexadentate tris(ethylenediamine)‒analogue chelators.","Dalton transactions (Cambridge, England : 2003)","2004","","9","1304","1311","10.1039/b403476g","","","0.71073","MoKα","","0.2101","0.084","","","0.1328","0.1648","","","","","","0.912","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7014238","8.34","0.002","15.235","0.004","23.409","0.006","90","","90","","90","","2974.3","1.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 B F15 N -","- C31 H23 B F15 N -","- C124 H92 B4 F60 N4 -","4","1","","Bavarian, Neda; Baird, Michael C.","Synthesis of the new, weakly coordinating anions [RB(C6F5)3]- (R = CH2Me, CHMe2, CH2CMe3); utilization of [HNMe2Ph][Me3CCH2B(C6F5)3] to activate zirconocene catalysts for propylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4089","4091","10.1039/b410941d","","","0.71073","MoKα","","0.1021","0.0431","","","0.0728","0.0836","","","","","","0.81","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014244","9.3336","0.0001","13.7811","0.0001","20.9211","0.0001","90","","90","","90","","2691.02","0.04","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CS4","","","- C25 H41 Co O4 Si2 -","- C25 H41 Co O4 Si2 -","- C100 H164 Co4 O16 Si8 -","4","1","","Schaefer, Carsten; Gleiter, Rolf; Rominger, Frank","A stepwise degradation of sterically hindered CpCo-cyclobutadiene complexes.","Dalton transactions (Cambridge, England : 2003)","2004","","24","4146","4151","10.1039/b412167h","","","0.71073","MoKα","","0.037","0.0293","","","0.066","0.0692","","","","","","1.017","","","","has coordinates","179846","2020-10-21","18:00:00",""
"7014291","9.719","0.003","15.583","0.003","20.863","0.004","90","","90","","90","","3159.7","1.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 N6 Ni2 O4 S2 -","- C25 H41 N6 Ni2 O4 S2 -","- C100 H164 N24 Ni8 O16 S8 -","4","1","","Harry Adams; Scott Clunas; David E. Fenton; Sharon E. Spey","The systematic generation of monodentate bridging ethanoates in dinuclear nickel(II) complexes of asymmetric compartmental ligands","J. Chem. Soc., Dalton Trans.","2002","","3","441","448","","","","0.71073","MoKα","","0.1339","0.07","","","0.1494","0.1746","","","","","","0.925","","","","has coordinates,has disorder","179846","2020-10-21","18:00:00",""
"7014384","11.0275","0.0005","18.7637","0.0008","23.0694","0.001","90","","90","","90","","4773.4","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H64 In N2 O4 -","- C52 H64 In N2 O4 -","- C208 H256 In4 N8 O16 -","4","1","","Piskunov, Alexandr V.; Maleeva, Aryna V.; Fukin, Georgii K.; Baranov, Evgenii V.; Bogomyakov, Artem S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Synthesis and molecular structure of indium complexes based on 3,6-di-tert-butyl-o-benzoquinone. Looking for indium(I) o-semiquinolate.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","718","725","10.1039/c0dt00673d","","","0.71073","MoKα","","0.0428","0.0347","","","0.0712","0.0739","","","","","","1.035","","","","has coordinates","179847","2020-10-21","18:00:00",""
"7014413","12.4312","0.001","13.148","0.0012","14.1942","0.001","90","","90","","90","","2320","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl F6 N2 P Ru -","- C21 H30 Cl F6 N2 P Ru -","- C84 H120 Cl4 F24 N8 P4 Ru4 -","4","1","","Govender, Preshendren; Renfrew, Anna K.; Clavel, Catherine M.; Dyson, Paul J.; Therrien, Bruno; Smith, Gregory S.","Antiproliferative activity of chelating N,O- and N,N-ruthenium(II) arene functionalised poly(propyleneimine) dendrimer scaffolds.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1158","1167","10.1039/c0dt00761g","","","0.71073","MoKα","","0.0525","0.0335","","","0.0617","0.0671","","","","","","0.929","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014452","19.519","0.004","20.011","0.004","11.887","0.002","90","","90","","90","","4643","1.5","113.1","","113.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H63 Mo N3 S5 -","- C46 H63 Mo N3 S5 -","- C184 H252 Mo4 N12 S20 -","4","1","","Sugimoto, Hideki; Tano, Hiroyuki; Suyama, Koichiro; Kobayashi, Tomoya; Miyake, Hiroyuki; Itoh, Shinobu; Mtei, Regina P.; Kirk, Martin L.","Chalcogenidobis(ene-1,2-dithiolate)molybdenum(IV) complexes (chalcogenide E = O, S, Se): probing Mo≡E and ene-1,2-dithiolate substituent effects on geometric and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1119","1131","10.1039/c0dt00871k","","","0.7107","MoKα","","","0.051","","","","0.1261","","","","","","0.953","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014467","8.32815","0.00009","11.8303","0.00012","20.9186","0.0002","90","","90","","90","","2060.99","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N2 P -","- C12 H9 N2 P -","- C96 H72 N16 P8 -","8","2","","Aluri, Bhaskar Reddy; Niaz, Basit; Kindermann, Markus K.; Jones, Peter G.; Heinicke, Joachim","P=C-N-heterocycles: synthesis of biaryl-type 1,3-benzazaphospholes with ortho-substituted phenyl or 2-heteroaryl groups.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","211","224","10.1039/c0dt00881h","","","1.54184","CuKα","","0.0216","0.0214","","","0.0561","0.0562","","","","","","1.034","","","","has coordinates","179848","2020-10-21","18:00:00",""
"7014567","12.4495","0.0005","15.2218","0.0007","18.5927","0.0008","90","","90","","90","","3523.4","0.3","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 F8 O10 Ru2 -","- C36 H28 F8 O10 Ru2 -","- C144 H112 F32 O40 Ru8 -","4","1","","Miyasaka, Hitoshi; Motokawa, Natsuko; Atsuumi, Ryo; Kamo, Hiromichi; Asai, Yuichiro; Yamashita, Masahiro","Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","673","682","10.1039/c0dt00956c","","","0.7107","MoKα","","","0.0197","","","","0.0441","","","","","","1.066","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014576","9.4024","0.0001","15.6941","0.0002","18.7797","0.0002","90","","90","","90","","2771.17","0.05","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Cl2 Ir P S2 -","- C30 H32 Cl2 Ir P S2 -","- C120 H128 Cl8 Ir4 P4 S8 -","4","1","","Lin, Chen-Huey; Chi, Yun; Chung, Min-Wen; Chen, Yi-Ju; Wang, Kang-Wei; Lee, Gene-Hsiang; Chou, Pi-Tai; Hung, Wen-Yi; Chiu, Hao-Chih","Heteroleptic Ir(III) complexes containing both azolate chromophoric chelate and diphenylphosphinoaryl cyclometalates; reactivities, electronic properties and applications.","Dalton transactions (Cambridge, England : 2003)","2011","40","5","1132","1143","10.1039/c0dt00966k","","","0.71073","MoKα","","0.034","0.0266","","","0.0461","0.0476","","","","","","1.002","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014598","10.3395","0.0014","14.753","0.002","23.961","0.003","90","","90","","90","","3655","0.8","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 N2 O5 Rh -","- C31 H34 N2 O5 Rh -","- C124 H136 N8 O20 Rh4 -","4","1","","Liu, Xiang Y.; Lokare, Kapil S.; Ganesh, Somesh K.; Gonzales, Jason M.; Oxgaard, Jonas; Goddard, 3rd, William A; Periana, Roy A.","Rhodium complexes bearing tetradentate diamine-bis(phenolate) ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","1","301","304","10.1039/c0dt00997k","","","0.71073","MoKα","","0.1005","0.069","","","0.2131","0.2348","","","","","","1.066","","","","has coordinates","179849","2020-10-21","18:00:00",""
"7014617","9.913","0.002","12.452","0.003","19.873","0.008","90","","90","","90","","2453.1","1.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N6 O2 -","- C24 H30 N6 O2 -","- C96 H120 N24 O8 -","4","1","","Willans, Charlotte E.; French, Sara; Anderson, Kirsty M.; Barbour, Leonard J.; Gertenbach, Jan-André; Lloyd, Gareth O.; Dyer, Robert J.; Junk, Peter C.; Steed, Jonathan W.","Tripodal imidazole frameworks: Reversible vapour sorption both with and without significant structural changes.","Dalton transactions (Cambridge, England : 2003)","2011","40","3","573","582","10.1039/c0dt01011a","","","0.71073","MoKα","","0.1623","0.1007","","","0.2345","0.2662","","","","","","1.1","","","","has coordinates,has disorder","179850","2020-10-21","18:00:00",""
"7014650","7.3955","0.0007","11.439","0.0011","18.0505","0.0016","90","","90","","90","","1527","0.2","298.1","","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Co N2 S2 -","- C17 H13 Co N2 S2 -","- C68 H52 Co4 N8 S8 -","4","1","","Nomura, Mitsushiro","Organometallic dithiolene complexes of the group 8-10 metals: Reactivities, structures and electrochemical behavior.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2112","2140","10.1039/c0dt01025a","","","0.7107","MoKα","","","0.0626","","","","0.1425","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014682","11.2178","0.0003","14.7149","0.0005","20.419","0.0006","90","","90","","90","","3370.54","0.18","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 Mo N O2 Si2 -","- C35 H49 Mo N O2 Si2 -","- C140 H196 Mo4 N4 O8 Si8 -","4","1","","Komuro, Takashi; Begum, Rockshana; Ono, Rikima; Tobita, Hiromi","Synthesis and characterisation of hydrido molybdenum and tungsten complexes having a hemilabile tridentate Si,Si,O-ligand: observation of stepwise hydrosilylation of a nitrile to form an N-silylimine on the metal centre.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2348","2357","10.1039/c0dt01047b","","","0.71069","MoKα","","0.0339","0.0323","","","0.0848","0.0878","","","","","","1.277","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7014768","20.3626","0.0007","31.919","0.0011","47.5022","0.0017","90","","90","","90","","30874.2","1.9","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73.33 H141 N3.67 Ni3 O38 Zr6 -","- C73.3333 H141 N3.66667 Ni3 O38 Zr6 -","- C880 H1692 N44 Ni36 O456 Zr72 -","12","3","","Malaestean, Iurii L.; Speldrich, Manfred; Ellern, Arkady; Baca, Svetlana G.; Kögerler, Paul","Heterometal expansion of oxozirconium carboxylate clusters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","331","333","10.1039/c0dt01136c","","","0.71073","MoKα","","0.0911","0.0596","","","0.1357","0.1528","","","","","","1.087","","","","has coordinates,has disorder","179851","2020-10-21","18:00:00",""
"7014776","17.0169","0.0004","20.4376","0.0005","21.4837","0.0005","90","","90","","90","","7471.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42.5 H51 B Cl N6 P Ru -","- C42.5 H51 B Cl N6 P Ru -","- C340 H408 B8 Cl8 N48 P8 Ru8 -","8","2","","Tsoureas, Nikolaos; Nunn, Joshua; Bevis, Thomas; Haddow, Mairi F.; Hamilton, Alex; Owen, Gareth R.","Strong agostic-type interactions in ruthenium benzylidene complexes containing 7-azaindole based scorpionate ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","4","951","958","10.1039/c0dt01148g","","","0.71073","MoKα","","0.0696","0.0466","","","0.0905","0.1007","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014802","4.0657","0.0002","14.7702","0.0008","26.2659","0.0011","90","","90","","90","","1577.3","0.13","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cu N4 O2 S -","- C17 H14 Cu N4 O2 S -","- C68 H56 Cu4 N16 O8 S4 -","4","1","","Hickey, James L.; Crouch, Peter J.; Mey, Sithorn; Caragounis, Aphrodite; White, Jonathan M.; White, Anthony R.; Donnelly, Paul S.","Copper(II) complexes of hybrid hydroxyquinoline-thiosemicarbazone ligands: GSK3β inhibition due to intracellular delivery of copper.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1338","1347","10.1039/c0dt01176b","","","1.54184","CuKα","","0.0526","0.0452","","","0.1038","0.1067","","","","","","1.024","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014827","13.1885","0.0011","18.1129","0.0015","24.841","0.002","90","","90","","90","","5934.1","0.8","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H78 Cd2 N4 O15 -","- C54 H64 Cd2 N4 O15 -","- C216 H256 Cd8 N16 O60 -","4","1","","Zhang, Wei Hong; Dong, Zhe; Wang, Yao Yu; Hou, Lei; Jin, Jun Cheng; Huang, Wen Huan; Shi, Qi Zhen","Synthesis, structural diversity and fluorescent characterisation of a series of d10 metal‒organic frameworks (MOFs): reaction conditions, secondary ligand and metal effects","Dalton Transactions","2011","40","11","2509","","10.1039/c0dt01206h","","","0.71073","MoKα","","0.1039","0.068","","","0.1757","0.2027","","","","","","1.068","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014848","8.4855","0.0002","14.4219","0.0004","19.461","0.0005","90","","90","","90","","2381.58","0.11","120","2","120","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H39 N O2 Zn -","- C23 H39 N O2 Zn -","- C92 H156 N4 O8 Zn4 -","4","1","","Poirier, Valentin; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann","Zinc and magnesium complexes supported by bulky multidentate amino-ether phenolate ligands: potent pre-catalysts for the immortal ring-opening polymerisation of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","523","534","10.1039/c0dt01219j","","x-ray","0.71073","MoKα","","0.0257","0.0218","","","0.052","0.0536","","","","","","1.162","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014861","8.6919","0.001","17.638","0.002","18.832","0.003","90","","90","","90","","2887.1","0.7","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 N2 O2 -","- C34 H36 N2 O2 -","- C136 H144 N8 O8 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.7107","MoKα","","0.0409","0.0383","","","0.0953","0.0971","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7014872","9.7371","0.0007","19.029","0.002","22.878","0.003","90","","90","","90","","4239","0.8","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H44 N4 P2 S2 V -","- C48 H44 N4 P2 S2 V -","- C192 H176 N16 P8 S8 V4 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0792","0.0734","","","0.1576","0.1618","","","","","","1.11","","","","has coordinates,has disorder","179852","2020-10-21","18:00:00",""
"7014877","13.7092","0.0019","18.865","0.003","19.441","0.003","90","","90","","90","","5027.9","1.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H70 N6 O2 V -","- C56 H70 N6 O2 V -","- C224 H280 N24 O8 V4 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0421","0.0384","","","0.0827","0.0844","","","","","","1.047","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014878","13.1691","0.0003","13.4302","0.0004","32.5935","0.0009","90","","90","","90","","5764.6","0.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H69 N6 Nb O2 -","- C56 H69 N6 Nb O2 -","- C224 H276 N24 Nb4 O8 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.0466","0.0433","","","0.1132","0.1153","","","","","","1.068","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014879","13.1663","0.0019","13.4684","0.0019","32.49","0.005","90","","90","","90","","5761.4","1.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H69 N6 O2 Ta -","- C56 H69 N6 O2 Ta -","- C224 H276 N24 O8 Ta4 -","4","1","","Zhang, Furen; Song, Haibin; Zi, Guofu","Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","7","1547","1566","10.1039/c0dt01229g","","","0.71075","MoKα","","0.03","0.0285","","","0.0767","0.0775","","","","","","1.069","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014885","5.4113","0.0007","21.983","0.003","31.33","0.004","90","","90","","90","","3726.9","0.8","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O2 Zn -","- C21 H22 N2 O2 Zn -","- C168 H176 N16 O16 Zn8 -","8","2","","Le Roux, Erwan; Merle, Nicolas; Törnroos, Karl W","Synthesis and characterisation of trigonal C(2)-chiral di- and tetra-substituted bis(oxazoline) alkyl zinc complexes and their reactivity towards protic reagents.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1768","1777","10.1039/c0dt01252a","","","0.71073","MoKα","","0.0415","0.0376","","","0.0908","0.0929","","","","","","1.108","","","","has coordinates","179852","2020-10-21","18:00:00",""
"7014904","10.3261","0.0007","13.8183","0.0009","17.4025","0.0012","90","","90","","90","","2483.1","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cl4 N3 Ru -","- C21 H29 Cl4.001 N3 Ru -","- C84 H116 Cl16.004 N12 Ru4 -","4","1","","Crimmin, Mark R.; Colby, Denise A.; Ellman, Jonathan A.; Bergman, Robert G.","Synthesis and coordination chemistry of tri-substituted benzamidrazones.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","514","522","10.1039/c0dt01267j","","","0.71073","MoKα","","0.0632","0.051","","","0.1077","0.1151","","","","","","1.083","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014905","9.7105","0.0011","12.4005","0.0013","16.6567","0.0018","90","","90","","90","","2005.7","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MRC_III_CpIrLCl","","","- C20 H29 Cl Ir N3 -","- C20 H29 Cl Ir N3 -","- C80 H116 Cl4 Ir4 N12 -","4","1","","Crimmin, Mark R.; Colby, Denise A.; Ellman, Jonathan A.; Bergman, Robert G.","Synthesis and coordination chemistry of tri-substituted benzamidrazones.","Dalton transactions (Cambridge, England : 2003)","2011","40","2","514","522","10.1039/c0dt01267j","","","0.71069","MoKα","","0.035","0.0301","","","0.0599","0.0624","","","","","","1.082","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014965","8.023","0.001","11.997","0.0016","19.429","0.002","90","","90","","90","","1870.1","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Co F6 O6 -","- C15 H15 Co F6 O6 -","- C60 H60 Co4 F24 O24 -","4","1","","Sato, Hisako; Uno, Hidemitsu; Nakano, Haruyuki","Identification of geometrical isomers using vibrational circular dichroism spectroscopy: a series of mixed-ligand complexes of diamagnetic Co(III) ions.","Dalton transactions (Cambridge, England : 2003)","2011","40","6","1332","1337","10.1039/c0dt01342k","","","0.7107","MoKα","","0.1075","0.0735","","","0.1588","0.2031","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7014976","6.2517","0.0002","11.4326","0.0004","24.1372","0.0009","90","","90","","90","","1725.16","0.1","165","2","165","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Ag N O6 S -","- C17 H22 Ag N O6 S -","- C68 H88 Ag4 N4 O24 S4 -","4","1","","Guo, Peng","Three 2D Ag(I)-framework isomers with helical structures controlled by the chirality of camphor-10-sulfonic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1716","1721","10.1039/c0dt01384f","","","0.71073","MoKα","","0.0215","0.0205","","","0.0509","0.0514","","","","","","1.076","","","","has coordinates","179853","2020-10-21","18:00:00",""
"7014978","6.2347","0.0004","11.4209","0.0007","24.0805","0.0015","90","","90","","90","","1714.67","0.19","165","2","165","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Ag N O6 S -","- C17 H22 Ag N O6 S -","- C68 H88 Ag4 N4 O24 S4 -","4","1","","Guo, Peng","Three 2D Ag(I)-framework isomers with helical structures controlled by the chirality of camphor-10-sulfonic acid.","Dalton transactions (Cambridge, England : 2003)","2011","40","8","1716","1721","10.1039/c0dt01384f","","","0.71073","MoKα","","0.036","0.0299","","","0.0541","0.0565","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015017","9.2709","0.0011","17.719","0.002","21.296","0.002","90","","90","","90","","3498.3","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H51 N2 O Si2 Y -","- C31 H51 N2 O Si2 Y -","- C124 H204 N8 O4 Si8 Y4 -","4","1","","Lu, Erli; Gan, Wei; Chen, Yaofeng","Monoalkyl and monoanilide yttrium complexes containing tridentate pyridyl-1-azaallyl dianionic ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2366","2374","10.1039/c0dt01539c","","","0.71073","MoKα","","0.1015","0.042","","","0.0722","0.0841","","","","","","0.863","","","","has coordinates","179854","2020-10-21","18:00:00",""
"7015161","10.0625","0.0009","18.8831","0.0017","20.6196","0.0019","90","","90","","90","","3918","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","((mu-bipyridine)bis-((E)-2-((2- aminopropylimino)methyl)phenolato-methanol-copper(ii)))diperchlorate","((μ-bipyridine)bis-[(E)-2-((2-aminopropylimino)methyl)phenolato-methanol- copper(II)])diperchlorate","","- C32 H42 Cl2 Cu2 N6 O12 -","- C32 H42 Cl2 Cu2 N6 O12 -","- C128 H168 Cl8 Cu8 N24 O48 -","4","1","","Rigamonti, Luca; Forni, Alessandra; Pievo, Roberta; Reedijk, Jan; Pasini, Alessandro","Synthesis, crystal structures and magnetic properties of dinuclear copper(II) compounds with NNO tridentate Schiff base ligands and bridging aliphatic diamine and aromatic diimine linkers.","Dalton transactions (Cambridge, England : 2003)","2011","40","13","3381","3393","10.1039/c0dt01304h","","","0.71073","MoKα","","0.0743","0.0413","","","0.102","0.1182","","","","","","1.035","","","","has coordinates","179855","2020-10-21","18:00:00",""
"7015244","10.842","0.003","14.871","0.004","16.541","0.005","90","","90","","90","","2666.9","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Cl2 O3 Si2 Ti2 -","- C22 H36 Cl2 O3 Si2 Ti2 -","- C88 H144 Cl8 O12 Si8 Ti8 -","4","1","","Ventura, María; Ramírez de Arellano, Carmen; Mosquera, Marta E. G.; Jiménez, Gerardo; Cuenca, Tomás","Synthesis and structural characterization of novel tetranuclear organotitanoxane derivatives.","Dalton transactions (Cambridge, England : 2003)","2011","40","21","5728","5733","10.1039/c0dt01393e","","","0.71073","MoKα","","0.0399","0.0393","","","0.0888","0.0892","","","","","","1.244","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7015370","7.2254","0.0003","8.4194","0.0004","21.4719","0.001","90","","90","","90","","1306.21","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N3 S -","- C14 H13 N3 S -","- C56 H52 N12 S4 -","4","1","","Basu, Arghya; Das, Gopal","Oxidative cyclization of thiosemicarbazone: an optical and turn-on fluorescent chemodosimeter for Cu(II).","Dalton transactions (Cambridge, England : 2003)","2011","40","12","2837","2843","10.1039/c0dt01549k","","","0.71073","MoKα","","0.0557","0.0368","","","0.0986","0.1053","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7015402","14.2607","0.0005","22.1231","0.0009","23.0014","0.0008","90","","90","","90","","7256.7","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H111 B2 F8 O2 P6 Rh3 -","- C62 H85 B2 F8 O2 P6 Rh3 -","- C248 H340 B8 F32 O8 P24 Rh12 -","4","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0899","0.0561","","","0.107","0.1134","","","","","","0.943","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015404","11.2487","0.0002","20.2463","0.0002","28.4783","0.0004","90","","90","","90","","6485.78","0.16","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H107 B2 F8 O P6 Rh3 -","- C49 H103 B2 F8 O P6 Rh3 -","- C196 H412 B8 F32 O4 P24 Rh12 -","4","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0438","0.0354","","","0.0818","0.0836","","","","","","0.943","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015405","11.345","0.0002","20.2993","0.0002","28.8798","0.0004","90","","90","","90","","6650.89","0.16","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H107 B2 Cl4 F8 P6 Rh3 -","- C50 H107 B2 Cl4 F8 P6 Rh3 -","- C200 H428 B8 Cl16 F32 P24 Rh12 -","4","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.0399","0.0311","","","0.0669","0.0683","","","","","","0.901","","","","has coordinates,has disorder","179858","2020-10-21","18:00:00",""
"7015406","11.3053","0.0002","20.298","0.0002","28.906","0.0004","90","","90","","90","","6633.2","0.16","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51.5 H107 B2 F8 P6 Rh3 -","- C51.5 H103 B2 F8 P6 Rh3 -","- C206 H412 B8 F32 P24 Rh12 -","4","1","","Fischer, Christian; Kohrt, Christina; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef","Trinuclear rhodium hydride complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","16","4162","4166","10.1039/c0dt01564d","","","0.71073","MoKα","","0.043","0.0369","","","0.1017","0.1041","","","","","","0.96","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015468","12.6224","0.0013","15.2989","0.0018","22.254","0.003","90","","90","","90","","4297.4","0.9","193.1","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 Cl F6 Ir N3 O12 P -","- C35 H42 Cl F6 Ir N3 O12 P -","- C140 H168 Cl4 F24 Ir4 N12 O48 P4 -","4","1","","Shibata, Teppei; Hashimoto, Hideki; Kinoshita, Isamu; Yano, Shigenobu; Nishioka, Takanori","Unprecedented diastereoselective generation of chiral-at-metal, half sandwich Ir(III) and Rh(III) complexes via anomeric isomerism on ""sugar-coated"" N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4826","4829","10.1039/c0dt01634a","","","0.7107","MoKα","","","0.0455","","","","0.0968","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015469","12.5638","0.0007","15.2175","0.0009","22.2295","0.0014","90","","90","","90","","4250","0.4","193.1","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 Cl3 F6 N3 O9 P Rh -","- C34 H44 Cl3 F6 N3 O9 P Rh -","- C136 H176 Cl12 F24 N12 O36 P4 Rh4 -","4","1","","Shibata, Teppei; Hashimoto, Hideki; Kinoshita, Isamu; Yano, Shigenobu; Nishioka, Takanori","Unprecedented diastereoselective generation of chiral-at-metal, half sandwich Ir(III) and Rh(III) complexes via anomeric isomerism on ""sugar-coated"" N-heterocyclic carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4826","4829","10.1039/c0dt01634a","","","0.71075","MoKα","","","0.0454","","","","0.1062","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7015498","8.516","0.002","11.588","0.003","17.098","0.005","90","","90","","90","","1687.3","0.8","100","1","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 B N2 Si -","- C15 H27 B N2 Si -","- C60 H108 B4 N8 Si4 -","4","1","","Jana, Anukul; Leusser, Dirk; Objartel, Ina; Roesky, Herbert W.; Stalke, Dietmar","A stable silicon(ii) monohydride.","Dalton transactions (Cambridge, England : 2003)","2011","40","20","5458","5463","10.1039/c0dt01675f","","","0.71073","MoKα","","0.032","0.032","","","","0.069","0.04","","","","","2.205","","","","has coordinates","179858","2020-10-21","18:00:00",""
"7015558","9.5512","0.0001","17.381","0.0002","20.3269","0.0002","90","","90","","90","","3374.46","0.06","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C31 H31 B Cl2 Ir N6 O P S2 -","- C31 H31 B Cl2 Ir N6 O P S2 -","- C124 H124 B4 Cl8 Ir4 N24 O4 P4 S8 -","4","1","","López-Gómez, María J; Connelly, Neil G.; Haddow, Mairi F.; Hamilton, Alex; Lusi, Matteo; Baisch, Ulrich; Orpen, A. Guy","Potassium S2N-heteroscorpionates: structure and iridaboratrane formation.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4647","4659","10.1039/c0dt01718c","","","0.71073","MoKα","","0.0231","0.0208","","","0.0417","0.0423","","","","","","0.889","","","","has coordinates,has disorder","179859","2020-10-21","18:00:00",""
"7015642","9.2297","0.0003","12.1798","0.0004","21.4452","0.0008","90","","90","","90","","2410.78","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 Cl2 N Zr -","- C23 H35 Cl2 N Zr -","- C92 H140 Cl8 N4 Zr4 -","4","1","","Liu, Kefeng; Wu, Qiaolin; Gao, Wei; Mu, Ying","Half-zirconocene anilide complexes: synthesis, characterization and catalytic properties for ethylene polymerization and copolymerization with 1-hexene.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4715","4721","10.1039/c0dt01789b","","","0.71073","MoKα","","0.0217","0.0208","","","0.0525","0.053","","","","","","1.048","","","","has coordinates","179860","2020-10-21","18:00:00",""
"7015754","9.9241","0.0007","13.4542","0.0008","17.7747","0.0015","90","","90","","90","","2373.3","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 F12 Fe P2 -","- C20 H28 F12 Fe P2 -","- C80 H112 F48 Fe4 P8 -","4","1","","Stíbr, Bohumil; Bakardjiev, Mario; Hájková, Zuzana; Holub, Josef; Padělková, Zdenka; Růžička, Aleš; Kennedy, John D.","Polymethylated [Fe(η(6)-arene)(2)](2+) dications: methyl-group rearrangements and application of the EINS mechanism.","Dalton transactions (Cambridge, England : 2003)","2011","40","22","5916","5920","10.1039/c1dt10051c","","","0.71073","MoKα","","0.0636","0.0472","","","0.1001","0.1109","","","","","","1.12","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015763","16.5576","0.0002","18.5861","0.0003","19.5813","0.0003","90","","90","","90","","6025.97","0.15","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H106 Li Mg N7 Si6 -","- C48 H106 Li Mg N7 Si6 -","- C192 H424 Li4 Mg4 N28 Si24 -","4","1","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","0.71073","MoKα","","0.0571","0.0358","","","0.0558","0.0587","","","","","","0.872","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015766","17.5291","0.0005","23.5696","0.0006","33.9026","0.0009","90","","90","","90","","14007","0.7","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58.5 H118 Mg N7 Na Si6 -","- C58.5 H118 Mg N7 Na Si6 -","- C468 H944 Mg8 N56 Na8 Si48 -","8","2","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","0.71073","MoKα","","0.1425","0.0606","","","0.0744","0.0868","","","","","","0.801","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7015767","16.3363","0.0004","17.3342","0.0004","21.8477","0.0005","90","","90","","90","","6186.8","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H106 Mg N7 Na Si6 -","- C45 H106 Mg N7 Na Si6 -","- C180 H424 Mg4 N28 Na4 Si24 -","4","1","","García-Álvarez, Pablo; Kennedy, Alan R.; O'Hara, Charles T; Reilly, Kieran; Robertson, Gemma M.","Synthesis and structural chemistry of alkali metal tris(HMDS) magnesiates containing chiral diamine donor ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5332","5341","10.1039/c1dt10058k","","","0.71073","MoKα","","0.0905","0.0549","","","0.1158","0.1246","","","","","","0.927","","","","has coordinates,has disorder","179861","2020-10-21","18:00:00",""
"7015785","9.439","0.003","17.008","0.005","25.776","0.007","90","","90","","90","","4138","2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H69 Mo2 N2 O6 P S Si2 -","- C28 H69 Mo2 N2 O6 P S Si2 -","- C112 H276 Mo8 N8 O24 P4 S4 Si8 -","4","1","","Kovalenko, Oleksandr O.; Brusylovets, Oleksii A.; Kinzhybalo, Vasyl; Lis, Tadeusz; Brusilovets, Anatolii I.","Reactions of ((i)PrO)3M≡M(O(i)Pr)3 (M = Mo, W) with low-coordinate phosphorus compounds. Formation of the first four-membered planar metallacycles, containing an M≡M triple bond.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4814","4817","10.1039/c1dt10099h","","","0.71073","MoKα","","0.0776","0.0451","","","0.0435","0.047","","","","","","0.898","","","","has coordinates","179861","2020-10-21","18:00:00",""
"7015803","9.9931","0.0006","14.9088","0.0009","18.2358","0.001","90","","90","","90","","2716.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H23 Cl2 F2 P Pd -","- C33 H23 Cl2 F2 P Pd -","- C132 H92 Cl8 F8 P4 Pd4 -","4","1","","Chotima, Ratanon; Dale, Tim; Green, Michael; Hey, Thomas W.; McMullin, Claire L.; Nunns, Adam; Guy Orpen, A.; Shishkov, Igor V.; Wass, Duncan F.; Wingad, Richard L.","Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: carbene ligand rotation and application to the Stille reaction.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5316","5323","10.1039/c1dt10109a","","x-ray","0.71074","MoKα","","0.039","0.0332","","","0.0664","0.0691","","","","","","1.009","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015805","9.3844","0.0002","10.926","0.0002","13.6043","0.0003","90","","90","","90","","1394.9","0.05","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2,2'-bipyrimidine-κ^2^<i>N</i>^1^,<i>N</i>^1'^)(dibromo)dicarbonylrhenium(II)","","- C10 H6 Br2 N4 O2 Re -","- C10 H6 Br2 N4 O2 Re -","- C40 H24 Br8 N16 O8 Re4 -","4","1","","Zobi, Fabio; Blacque, Olivier","Reactivity of 17 e- complex [Re(II)Br4(CO)2]2- with bridging aromatic ligands. Characterization and CO-releasing properties.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4994","5001","10.1039/c1dt10110b","","","0.71073","MoKα","","0.0331","0.027","","","0.0502","0.0511","","","","","","0.955","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015813","11.4165","0.0015","13.335","0.002","15.599","0.002","90","","90","","90","","2374.8","0.6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","trifluoro(methanediylbis(diphenylphosphane) dioxide)antimony(iii)","trifluoro(methanediylbis(diphenylphosphane) dioxide)antimony(III)","","- C25 H22 F3 O2 P2 Sb -","- C25 H22 F3 O2 P2 Sb -","- C100 H88 F12 O8 P8 Sb4 -","4","1","","Levason, William; Light, Mark E.; Maheshwari, Seema; Reid, Gillian; Zhang, Wenjian","Unusual neutral ligand coordination to arsenic and antimony trifluoride.","Dalton transactions (Cambridge, England : 2003)","2011","40","19","5291","5297","10.1039/c1dt10113g","","","0.71073","MoKα","","0.0521","0.0427","","","0.0784","0.0828","","","","","","1.098","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015835","8.9551","0.0013","15.564","0.002","16.659","0.003","90","","90","","90","","2321.9","0.6","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 B N O -","- C27 H36 B N O -","- C108 H144 B4 N4 O4 -","4","1","","Barnes, Stephanie S.; Vogels, Christopher M.; Decken, Andreas; Westcott, Stephen A.","Addition of boranes to N-aryl-salicylaldimines: intramolecular hydrogenation of imines.","Dalton transactions (Cambridge, England : 2003)","2011","40","17","4707","4714","10.1039/c1dt10132c","","x-ray","0.71073","MoKα","","0.0382","0.0322","","","0.0796","0.0872","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7015864","16.7876","0.0004","8.9221","0.0001","8.7848","0.0002","90","","90","","90","","1315.79","0.05","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 Cl3 N4 O2 P3 -","- C4 H10 Cl3 N4 O2 P3 -","- C16 H40 Cl12 N16 O8 P12 -","4","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Okutan, Elif; Shaw, Robert A.; Eçik, Esra Tanrıverdi; Çiftçi, Gönül Yenilmez","Competitive formation of cis and trans derivatives in the nucleophilic substitution reactions of cyclophosphazenes having a mono-spiro P-NHR group.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4959","4969","10.1039/c1dt10176e","","","0.71073","MoKα","","0.064","0.0598","","","0.1571","0.1614","","","","","","1.045","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7015866","6.5976","0.0001","9.4568","0.0002","26.882","0.0007","90","","90","","90","","1677.23","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H18 Cl3 N6 P3 -","- C8 H18 Cl3 N6 P3 -","- C32 H72 Cl12 N24 P12 -","4","1","","Beşli, Serap; Coles, Simon J.; Davies, David B.; Kılıç, Adem; Okutan, Elif; Shaw, Robert A.; Eçik, Esra Tanrıverdi; Çiftçi, Gönül Yenilmez","Competitive formation of cis and trans derivatives in the nucleophilic substitution reactions of cyclophosphazenes having a mono-spiro P-NHR group.","Dalton transactions (Cambridge, England : 2003)","2011","40","18","4959","4969","10.1039/c1dt10176e","","","0.71073","MoKα","","0.0415","0.0313","","","0.0619","0.0649","","","","","","1.052","","","","has coordinates","179862","2020-10-21","18:00:00",""
"7016024","12.938","0.005","15.996","0.006","22.585","0.008","90","","90","","90","","4674","3","193.1","","193.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 Br2 N4 Ni O18 -","- C36 H48 Br2 N4 Ni O18 -","- C144 H192 Br8 N16 Ni4 O72 -","4","1","","Shibata, Teppei; Ito, Satoru; Doe, Matsumi; Tanaka, Rika; Hashimoto, Hideki; Kinoshita, Isamu; Yano, Shigenobu; Nishioka, Takanori","Dynamic behaviour attributed to chiral carbohydrate substituents of N-heterocyclic carbene ligands in square planar nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6778","6784","10.1039/c0dt01833c","","","0.71073","MoKα","","","0.0594","","","","0.115","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016025","20.901","0.0006","23.3218","0.0008","23.7857","0.0007","90","","90","","90","","11594.3","0.6","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51.5 H60 Br2 N4 Ni O18 -","- C51.5 H60 Br2 N4 Ni O18 -","- C412 H480 Br16 N32 Ni8 O144 -","8","2","","Shibata, Teppei; Ito, Satoru; Doe, Matsumi; Tanaka, Rika; Hashimoto, Hideki; Kinoshita, Isamu; Yano, Shigenobu; Nishioka, Takanori","Dynamic behaviour attributed to chiral carbohydrate substituents of N-heterocyclic carbene ligands in square planar nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","25","6778","6784","10.1039/c0dt01833c","","","0.7107","MoK_a","","0.0524","0.0494","","","0.1167","0.1191","","","","","","1.131","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7016111","8.3293","0.0003","17.7557","0.0007","19.8896","0.0007","90","","90","","90","","2941.52","0.19","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 Cu2 N4 O12 -","- C26 H22 Cl2 Cu2 N4 O12 -","- C104 H88 Cl8 Cu8 N16 O48 -","4","1","","Anbu, Sellamuthu; Kandaswamy, Muthusamy; Kamalraj, Subban; Muthumarry, Johnpaul; Varghese, Babu","Phosphatase-like activity, DNA binding, DNA hydrolysis, anticancer and lactate dehydrogenase inhibition activity promoting by a new bis-phenanthroline dicopper(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7310","7318","10.1039/c1dt10277j","","","0.71073","MoKα","","0.0604","0.046","","","0.1159","0.1268","","","","","","1.015","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016129","12.9663","0.0002","13.1062","0.0002","30.1835","0.0005","90","","90","","90","","5129.35","0.14","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H56 B2 F8 N6 O P2 Ru -","- C44 H53 B2 F8 N5 O P2 Ru -","- C176 H212 B8 F32 N20 O4 P8 Ru4 -","4","1","","Page, Michael J.; Mahon, Mary F.; Whittlesey, Michael K.","Formation and reactivity of the cyclometallated N-heterocyclic carbene complexes [Ru(NHC)'(dppe)(CO)H].","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7858","7865","10.1039/c1dt10299k","","","0.71073","MoKα","","0.0715","0.0471","","","0.0949","0.1036","","","","","","1.019","","","","has coordinates,has disorder","179865","2020-10-21","18:00:00",""
"7016140","8.7796","0.0003","12.325","0.0004","16.0889","0.0005","90","","90","","90","","1740.96","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 P2 -","- C20 H24 P2 -","- C80 H96 P8 -","4","1","","Dodds, Deborah L.; Floure, Joelle; Garland, Michael; Haddow, Mairi F.; Leonard, Thomas R.; McMullin, Claire L.; Orpen, A. Guy; Pringle, Paul G.","Diphosphanes derived from phobane and phosphatrioxa-adamantane: similarities, differences and anomalies.","Dalton transactions (Cambridge, England : 2003)","2011","40","27","7137","7146","10.1039/c1dt10335k","","x-ray","0.71074","MoKα","","0.0497","0.0397","","","0.0848","0.0905","","","","","","1.036","","","","has coordinates","179865","2020-10-21","18:00:00",""
"7016206","9.2539","0.0011","17.075","0.002","18.952","0.002","90","","90","","90","","2994.6","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 B N9 S Zn -","- C27 H42 B N9 S Zn -","- C108 H168 B4 N36 S4 Zn4 -","4","1","","Kumar, Mukesh; Papish, Elizabeth T.; Zeller, Matthias; Hunter, Allen D.","Zinc complexes of Ttz(R,Me) with O and S donors reveal differences between Tp and Ttz ligands: acid stability and binding to H or an additional metal (Ttz(R,Me) = tris(3-R-5-methyl-1,2,4-triazolyl)borate; R = Ph, tBu).","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7517","7533","10.1039/c1dt10429b","","","0.71073","MoKα","","0.0373","0.0332","","","0.0822","0.0853","","","","","","1.091","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016241","9.0816","0.0003","12.713","0.0005","18.7394","0.0007","90","","90","","90","","2163.55","0.14","123.1","","123.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl2 N3 Ti -","- C20 H31 Cl2 N3 Ti -","- C80 H124 Cl8 N12 Ti4 -","4","1","","Nomura, Kotohiro; Fukuda, Hiroya; Katao, Shohei; Fujiki, Michiya; Kim, Hyun Joon; Kim, Dong-Hyun; Zhang, Shu","Effect of ligand substituents in olefin polymerisation by half-sandwich titanium complexes containing monoanionic iminoimidazolidide ligands-MAO catalyst systems.","Dalton transactions (Cambridge, England : 2003)","2011","40","31","7842","7849","10.1039/c1dt10467e","","","0.71075","MoKα","","","0.0352","","","","0.0854","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7016256","8.0423","0.0003","8.6606","0.0003","36.0862","0.0009","90","","90","","90","","2513.45","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 N O Pd S2 -","- C31 H23 N O Pd S2 -","- C124 H92 N4 O4 Pd4 S8 -","4","1","","Lentijo, Sergio; Miguel, Jesús A; Espinet, Pablo","Cyclopalladated complexes of perylene imine: mononuclear complexes with five- or six-membered metallacycles.","Dalton transactions (Cambridge, England : 2003)","2011","40","29","7602","7609","10.1039/c1dt10598a","","","0.71073","MoKα","","0.0295","0.0255","","","0.0488","0.0496","","","","","","0.997","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016263","9.859","0.003","15.088","0.005","17.416","0.006","90","","90","","90","","2590.7","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 N4 O10 Re2 -","- C24 H18 N4 O10 Re2 -","- C96 H72 N16 O40 Re8 -","4","1","","Qayyum, Hira; Herrick, Richard S.; Ziegler, Christopher J.","Synthesis of dimeric Re(I) amino acid conjugate complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","28","7442","7445","10.1039/c1dt10665a","","","0.71073","MoKα","","0.0637","0.0486","","","0.1022","0.1091","","","","","","0.911","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016287","13.1679","0.0002","13.4486","0.0002","16.2017","0.0002","90","","90","","90","","2869.16","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 Br N5 O3 Re -","- C29 H31 Br N5 O3 Re -","- C116 H124 Br4 N20 O12 Re4 -","4","1","","Wanniarachchi, Sarath; Liddle, Brendan J.; Toussaint, John; Lindeman, Sergey V.; Bennett, Brian; Gardinier, James R.","Using sterics to promote reactivity in fac-Re(CO)(3) complexes of some 'non-innocent' NNN-pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8776","8787","10.1039/c1dt10030k","","","1.54178","CuKα","","0.017","0.0168","","","0.0428","0.0429","","","","","","0.992","","","","has coordinates","179866","2020-10-21","18:00:00",""
"7016302","15.6037","0.0004","27.0324","0.0005","27.9392","0.0005","90","","90","","90","","11784.9","0.4","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","LNI2 (MeOH)4(MeCN)2","","","- C68 H68 N6 Ni2 O8 -","- C68 H68 N6 Ni2 O8 -","- C544 H544 N48 Ni16 O64 -","8","2","","Akine, Shigehisa; Shimada, Toshihiko; Nagumo, Hiroki; Nabeshima, Tatsuya","Highly cooperative double metalation of a bis(N(2)O(2)) ligand based on bipyridine-phenol framework driven by intramolecular π-stacking of square planar nickel(ii) complex moieties.","Dalton transactions (Cambridge, England : 2003)","2011","40","34","8507","8509","10.1039/c1dt10124b","","","0.71069","MoKα","","0.0451","0.0423","","","0.1122","0.114","","","","","","1.057","","","","has coordinates,has disorder","179867","2020-10-21","18:00:00",""
"7016320","9.0558","0.0007","14.3574","0.0008","15.7514","0.0015","90","","90","","90","","2048","0.3","200","2","200","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl3 N Ta -","- C19 H27 Cl3 N Ta -","- C76 H108 Cl12 N4 Ta4 -","4","1","","Galajov, Miguel; Galindo, Agustín; García, Carlos; Gómez, Manuel; Gómez-Sal, Pilar; Parra, Andrés","Synthetic and structural studies of monocyclopentadienyl cyclometalated aryl tantalum(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2011","40","33","8399","8406","10.1039/c1dt10223k","","x-ray","0.71073","MoKα","","0.0763","0.0607","","","0.0851","0.0884","","","","","","1.222","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016381","9.9481","0.0004","17.2684","0.0006","31.2989","0.0012","90","","90","","90","","5376.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C60 H50 O4 Si2 -","- C60 H50 O4 Si2 -","- C240 H200 O16 Si8 -","4","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9034","9041","10.1039/c1dt10356c","","","0.71073","MoKα","","0.0702","0.0561","","","0.1462","0.1535","","","","","","1.018","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016382","9.8619","0.0002","18.1864","0.0003","26.4065","0.0005","90","","90","","90","","4736.07","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C58 H52 O6 P2 -","- C58 H52 O6 P2 -","- C232 H208 O24 P8 -","4","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9034","9041","10.1039/c1dt10356c","","","0.71073","MoKα","","0.0649","0.0461","","","0.1057","0.1193","","","","","","1.028","","","","has coordinates","287926","2023-12-01","07:54:24",""
"7016383","9.9085","0.0004","11.2581","0.0004","34.2755","0.0013","90","","90","","90","","3823.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H49 O4 P Si2 -","- C40 H49 O4 P Si2 -","- C160 H196 O16 P4 Si8 -","4","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9034","9041","10.1039/c1dt10356c","","","0.71073","MoKα","","0.0382","0.0329","","","0.0736","0.0762","","","","","","1.026","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016384","9.9513","0.001","19.713","0.002","28.496","0.003","90","","90","","90","","5590.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H57 O4 P Si2 -","- C66 H57 O4 P Si2 -","- C264 H228 O16 P4 Si8 -","4","1","","Bedford, Robin B.; Chang, Yu-Ning; Haddow, Mairi F.; McMullin, Claire L.","Tuning ligand structure in chiral bis(phosphite) and mixed phosphite-phosphinite PCP-palladium pincer complexes.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","9034","9041","10.1039/c1dt10356c","","","1.54178","CuKα","","0.0641","0.0536","","","0.1352","0.1437","","","","","","1.043","","","","has coordinates","179867","2020-10-21","18:00:00",""
"7016413","7.7037","0.0005","16.965","0.0012","17.1737","0.0012","90","","90","","90","","2244.5","0.3","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Cl4 Hg N2 O3 -","- C16 H28 Cl4 Hg N2 O3 -","- C64 H112 Cl16 Hg4 N8 O12 -","4","1","","Beleaga, Anca; Bojan, Vilma R.; Pöllnitz, Alpar; Raţ, Ciprian I; Silvestru, Cristian","Organomercury(ii) and tellurium(ii) compounds with the ""pincer"" ligand 2,6-[O(CH(2)CH(2))(2)NCH(2)](2)C(6)H(3)- stabilization of an unusual organotellurium(ii) cationic species.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8830","8838","10.1039/c1dt10414d","","","0.71073","MoKα","","0.037","0.0339","","","0.0727","0.0738","","","","","","1.092","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016472","11.9244","0.0005","14.2882","0.0003","16.8801","0.0006","90","","90","","90","","2876","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 F6 N4 P Rh -","- C29 H38 F6 N4 P Rh -","- C116 H152 F24 N16 P4 Rh4 -","4","1","","Newman, Paul D.; Cavell, Kingsley J.; Hallett, Andrew J.; Kariuki, Benson M.","Rhodium and iridium complexes of an asymmetric bicyclic NHC bearing secondary pyridyl donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8807","8813","10.1039/c1dt10582e","","","0.71073","MoKα","","0.0925","0.079","","","0.1765","0.1884","","","","","","1.031","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016473","11.937","0.0006","14.3375","0.0005","16.8348","0.0009","90","","90","","90","","2881.2","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 F6 Ir N4 P -","- C29 H38 F6 Ir N4 P -","- C116 H152 F24 Ir4 N16 P4 -","4","1","","Newman, Paul D.; Cavell, Kingsley J.; Hallett, Andrew J.; Kariuki, Benson M.","Rhodium and iridium complexes of an asymmetric bicyclic NHC bearing secondary pyridyl donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","35","8807","8813","10.1039/c1dt10582e","","","0.71073","MoKα","","0.0687","0.0628","","","0.1441","0.1489","","","","","","1.038","","","","has coordinates","179868","2020-10-21","18:00:00",""
"7016547","12.6906","0.0007","12.9537","0.0007","17.4956","0.001","90","","90","","90","","2876.1","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 F6 Mn N6 O2 P2 -","- C21 H31 F6 Mn N6 O2 P2 -","- C84 H124 F24 Mn4 N24 O8 P8 -","4","1","","Hallett, Andrew J.; Angharad Baber, R.; Guy Orpen, A.; Ward, Benjamin D.","The co-ordination chemistry of tris(3,5-dimethylpyrazolyl)methane manganese carbonyl complexes: Synthetic, electrochemical and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2011","40","36","9276","9283","10.1039/c1dt10828j","","","0.71073","MoKα","","0.0777","0.0642","","","0.1493","0.1575","","","","","","1.151","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7016557","9.23","0.04","9.46","0.04","14.73","0.06","90","","90","","90","","1286","9","100","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MVLIF-2","","","- C12 H15 Li N6 -","- C12 H15 Li N6 -","- C48 H60 Li4 N24 -","4","1","","Zhao, Xiang; Wu, Tao; Bu, Xianhui; Feng, Pingyun","A mixed ligand route for the construction of tetrahedrally coordinated porous lithium frameworks.","Dalton transactions (Cambridge, England : 2003)","2011","40","32","8072","8074","10.1039/c1dt10859j","","","0.71073","MoKα","","0.0854","0.0605","","","0.1473","0.1972","","","","","","0.975","","","","has coordinates","179869","2020-10-21","18:00:00",""
"7016617","10.5771","0.0006","14.5688","0.0009","18.7937","0.0011","90","","90","","90","","2896","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","{[N{(C3F7)C(C6F5)N}2]AgNC(CH2)2CH3}n","","","- C24 H7 Ag F24 N4 -","- C24 H7 Ag F24 N4 -","- C96 H28 Ag4 F96 N16 -","4","1","","Flores, Jaime A.; Kobayashi, Yoshihiro; Dias, H. V. Rasika","Synthesis and characterization of silver(i) adducts supported solely by 1,3,5-triazapentadienyl ligands or by triazapentadienyl and other N-donors.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10351","10359","10.1039/c1dt10199d","","","0.71073","MoKα","","0.0233","0.0228","","","0.0551","0.0554","","","","","","1.068","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016658","11.6503","0.0002","14.6989","0.0004","23.1578","0.0005","90","","90","","90","","3965.69","0.15","111","2","111","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H66 Ga2 Mo P4 -","- C32 H66 Ga2 Mo P4 -","- C128 H264 Ga8 Mo4 P16 -","4","1","","Molon, Mariusz; Bollermann, Timo; Gemel, Christian; Schaumann, Julian; Fischer, Roland A.","Mixed phosphine and group-13 metal ligator complexes [(PR(3))(a)M(ECp*)(b)] (M = Mo, Ni; E = Ga, Al; R = C(6)H(5), cyclo-C(6)H(11), CH(3)).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10769","10774","10.1039/c1dt10583c","","","0.71073","MoKα","","0.041","0.0271","","","0.06","0.0635","","","","","","0.99","","","","has coordinates,has disorder","278046","2022-09-21","15:45:41",""
"7016665","9.7455","0.0014","12.2564","0.0018","17.324","0.003","90","","90","","90","","2069.3","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 B Cr2 N O8 -","- C17 H16 B Cr2 N O8 -","- C68 H64 B4 Cr8 N4 O32 -","4","1","","Bera, Barun; Patil, Yogesh P.; Nethaji, Munirathinam; Jagirdar, Balaji R.","A homobimetallic complex of chromium(0) with a σ-borane component.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10592","10597","10.1039/c1dt10584a","","","0.71073","MoKα","","0.0745","0.0408","","","0.0741","0.0872","","","","","","1.037","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016670","9.8884","0.0002","10.8891","0.0002","28.1201","0.0004","90","","90","","90","","3027.85","0.09","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl2 N5 Ni O9 -","- C27 H29 Cl2 N5 Ni O9 -","- C108 H116 Cl8 N20 Ni4 O36 -","4","1","","Grubel, Katarzyna; Ingle, Gajendrasingh K.; Fuller, Amy L.; Arif, Atta M.; Berreau, Lisa M.","Influence of water on the formation of O(2)-reactive divalent metal enolate complexes of relevance to acireductone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10609","10620","10.1039/c1dt10587f","","","0.71073","MoKα","","0.1016","0.0654","","","0.1377","0.1667","","","","","","1.04","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016674","12.0388","0.0004","17.7032","0.0006","25.8524","0.0006","90","","90","","90","","5509.8","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50.5 H66.75 Cl2 Fe N10.25 O8 -","- C50.5 H63 Cl2 Fe N10.25 O8 -","- C202 H252 Cl8 Fe4 N41 O32 -","4","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","0.71073","MoKα","","0.1504","0.058","","","0.1278","0.1424","","","","","","0.814","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016675","13.9695","0.0002","17.3214","0.0003","19.2264","0.0003","90","","90","","90","","4652.24","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H48 Cl2 Mn N8 O8 -","- C46 H42 Cl2 Mn N8 O8 -","- C184 H168 Cl8 Mn4 N32 O32 -","4","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","0.71073","MoKα","","0.0759","0.0591","","","0.122","0.1292","","","","","","1.078","","","","has coordinates,has disorder","179870","2020-10-21","18:00:00",""
"7016680","13.287","0.0004","18.8293","0.0007","20.0225","0.0008","90","","90","","90","","5009.3","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H54 Cl2 Fe N8 O11 -","- C49 H48 Cl2 Fe N8 O11 -","- C196 H192 Cl8 Fe4 N32 O44 -","4","1","","Howson, Suzanne E.; Allan, Laura E. N.; Chmel, Nikola P.; Clarkson, Guy J.; Deeth, Robert J.; Faulkner, Alan D.; Simpson, Daniel H.; Scott, Peter","Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN')(3)(n+) (M = Mn, Fe, Co, Ni and Zn).","Dalton transactions (Cambridge, England : 2003)","2011","40","40","10416","10433","10.1039/c1dt10588d","","","0.71073","MoKα","","0.13","0.0869","","","0.1718","0.2018","","","","","","1.118","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016686","10.414","0.003","13.565","0.003","15.401","0.004","90","","90","","90","","2175.6","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 O -","- C28 H27 N3 O -","- C112 H108 N12 O4 -","4","1","","Villaverde, Gonzalo; Arnanz, Avelina; Iglesias, Marta; Monge, Angeles; Sánchez, Félix; Snejko, Natalia","Development of homogeneous and heterogenized rhodium(i) and palladium(ii) complexes with ligands based on a chiral proton sponge building block and their application as catalysts.","Dalton transactions (Cambridge, England : 2003)","2011","40","37","9589","9600","10.1039/c1dt10597c","","","0.71073","MoKα","","0.0475","0.0376","","","0.0812","0.0846","","","","","","1.148","","","","has coordinates","179870","2020-10-21","18:00:00",""
"7016781","7.262","0.005","12.719","0.005","25.043","0.005","90","","90","","90","","2313.1","1.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 Fe N4 O3 -","- C28 H25 Fe N4 O3 -","- C112 H100 Fe4 N16 O12 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.1056","0.0664","","","0.104","0.1126","","","","","","1.002","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016782","7.217","0.005","13.24","0.005","24.971","0.005","90","","90","","90","","2386.1","1.9","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 Fe N4 O3 -","- C28 H25 Fe N4 O3 -","- C112 H100 Fe4 N16 O12 -","4","1","","Nemec, Ivan; Herchel, Radovan; Boča, Roman; Trávníček, Zdeněk; Svoboda, Ingrid; Fuess, Hartmut; Linert, Wolfgang","Tuning of spin crossover behaviour in iron(iii) complexes involving pentadentate Schiff bases and pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10090","10099","10.1039/c1dt10696a","","","0.71073","MoKα","","0.1021","0.056","","","0.0835","0.0915","","","","","","0.931","","","","has coordinates","179871","2020-10-21","18:00:00",""
"7016896","6.4021","0.0003","14.9295","0.0006","15.8901","0.0006","90","","90","","90","","1518.78","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 Cu8 N24 O40 -","- C36 H48 Cu8 N24 O40 -","- C36 H48 Cu8 N24 O40 -","1","0.25","","Yang, En-Cui; Liu, Zhong-Yi; Wu, Xiao-Yun; Chang, Hong; Wang, En-Chan; Zhao, Xiao-Jun","Co(II), Mn(II) and Cu(II)-directed coordination polymers with mixed tetrazolate-dicarboxylate heterobridges exhibiting spin-canted, spin-frustrated antiferromagnetism and a slight spin-flop transition.","Dalton transactions (Cambridge, England : 2003)","2011","40","39","10082","10089","10.1039/c1dt10958h","","","0.71073","MoKα","","0.023","0.0221","","","0.0626","0.063","","","","","","1.068","","","","has coordinates","179872","2020-10-21","18:00:00",""
"7016947","15.75386","0.00017","22.557","0.0003","25.5975","0.0003","90","","90","","90","","9096.32","0.19","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C79 H125 Co N15 O28.5 P -","- C79 H110 Co N15 O28.5 P -","- C316 H440 Co4 N60 O114 P4 -","4","1","","Zelenka, Karel; Brandl, Helmut; Spingler, Bernhard; Zelder, Felix","Coordination chemistry and biological activity of 5'-OH modified quinoline-B12 derivatives.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9665","9667","10.1039/c1dt11161b","","","0.7107","MoKα","","0.0707","0.0492","","","0.1085","0.1135","","","","","","0.94","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7016948","6.5022","0.0009","10.6341","0.0013","17.425","0.002","90","","90","","90","","1204.9","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Au Br N2 -","- C11 H12 Au Br N2 -","- C44 H48 Au4 Br4 N8 -","4","1","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.0342","0.0315","","","0.0766","0.0775","","","","","","1.061","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7016955","13.2756","0.0019","14.874","0.002","18.914","0.002","90","","90","","90","","3734.8","0.8","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H34 Au Br3 Cl2 N4 -","- C35 H34 Au Br3 Cl2 N4 -","- C140 H136 Au4 Br12 Cl8 N16 -","4","1","","Hirtenlehner, Christa; Krims, Charlotte; Hölbling, Johanna; List, Manuela; Zabel, Manfred; Fleck, Michel; Berger, Raphael J. F.; Schoefberger, Wolfgang; Monkowius, Uwe","Syntheses, crystal structures, reactivity, and photochemistry of gold(iii) bromides bearing N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2011","40","38","9899","9910","10.1039/c1dt11175b","","","0.71073","MoKα","","0.044","0.0305","","","0.0629","0.0678","","","","","","1.032","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7017021","8.8795","0.0008","9.2278","0.0011","23.73","0.002","90","","90","","90","","1944.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O2 -","- C24 H24 N2 O2 -","- C96 H96 N8 O8 -","4","1","","Barwiolek, Magdalena; Szlyk, Edward; Muzioł, Tadeusz M; Lis, Tadeusz","Structural and luminescence studies of nickel(ii) and copper(ii) complexes with (1R,2R)-cyclohexanediamine derived unsymmetric Schiff base.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","11012","11022","10.1039/c1dt10882d","","x-ray","0.71073","MoKα","","0.1007","0.0581","","","0.1236","0.1385","","","","","","1.008","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017080","9.6385","0.0019","11.635","0.002","20.051","0.004","90","","90","","90","","2248.6","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N O S -","- C13 H11 N O S -","- C104 H88 N8 O8 S8 -","8","2","","Han, Yumiao; Luo, Qun; Hao, Xiang; Li, Xianchan; Wang, Fuyi; Hu, Wenbing; Wu, Kui; Lü, Shuang; Sadler, Peter J.","Reactions of an organoruthenium anticancer complex with 2-mercaptobenzanilide-a model for the active-site cysteine of protein tyrosine phosphatase 1B.","Dalton transactions (Cambridge, England : 2003)","2011","40","43","11519","11529","10.1039/c1dt11189b","","","0.71073","MoKα","","0.037","0.0355","","","0.0849","0.0859","","","","","","1.077","","","","has coordinates","179874","2020-10-21","18:00:00",""
"7017191","8.894","0.008","13.097","0.012","19.98","0.015","90","","90","","90","","2327","3","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Fe N7 O2 S2 -","- C21 H22 Fe N7 O2 S2 -","- C84 H88 Fe4 N28 O8 S8 -","4","1","","Sanyal, Rajni; Cameron, Scott A.; Brooker, Sally","Synthesis and complexes of an N(4) Schiff-base macrocycle derived from 2,2'-iminobisbenzaldehyde.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12277","12287","10.1039/c1dt10730e","","","0.71073","MoKα","","0.0832","0.0652","","","0.1389","0.1484","","","","","","1.038","","","","has coordinates","179875","2020-10-21","18:00:00",""
"7017237","7.673","0.002","18.734","0.004","35.572","0.007","90","","90","","90","","5113","2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H50 Cu2 I2 N4 O6 -","- C49 H50 Cu2 I2 N4 O6 -","- C196 H200 Cu8 I8 N16 O24 -","4","1","","Smith, David J.; Blake, Alexander J.; Wilson, Claire; Champness, Neil R.","Inhibiting copper(i) iodide aggregate assembly in the solid state via macrocyclic encapsulation.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12257","12264","10.1039/c1dt10815h","","","0.71073","MoKα","","0.0531","0.0435","","","0.0959","0.0994","","","","","","1.03","","","","has coordinates,has disorder","179876","2020-10-21","18:00:00",""
"7017383","10.5988","0.0001","18.1105","0.0002","21.0057","0.0002","90","","90","","90","","4032.04","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H60 Mg N4 -","- C43 H60 Mg N4 -","- C172 H240 Mg4 N16 -","4","1","","Hill, Michael S.; Kociok-Köhn, Gabriele; Macdougall, Dugald J.; Mahon, Mary F.; Weetman, Catherine","Magnesium hydrides and the dearomatisation of pyridine and quinoline derivatives.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12500","12509","10.1039/c1dt11235j","","","0.71073","MoKα","","0.0426","0.0384","","","0.098","0.1014","","","","","","1.055","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7017428","6.7778","0.0003","15.2422","0.0008","18.9036","0.0009","90","","90","","90","","1952.9","0.16","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","[(pmtpm)CuII(SCN)CuI(SCN)2]n","","","- C16 H12 Cu2 N5 S4 -","- C16 H12 Cu2 N5 S4 -","- C64 H48 Cu8 N20 S16 -","4","1","","Roy, Suprakash; Javed, Saleem; Olmstead, Marilyn M.; Patra, Apurba K.","First structural example of a metal uncoordinated mesoionic imidazo[1,5-a]pyridine and its precursor intermediate copper complex: an insight to the catalytic cycle.","Dalton transactions (Cambridge, England : 2003)","2011","40","48","12866","12876","10.1039/c1dt11435b","","x-ray","0.71073","MoKα","","0.0604","0.0506","","","0.1184","0.1249","","","","","","1.085","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017440","10.4495","0.0005","14.0201","0.0003","21.6335","0.0005","90","","90","","90","","3169.37","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Au I5 P2 S -","- C25 H22 Au I5 P2 S -","- C100 H88 Au4 I20 P8 S4 -","4","1","","Taouss, Christina; Jones, Peter G.","Halogenation of (phosphine chalcogenide)gold(i) halides; some unexpected products.","Dalton transactions (Cambridge, England : 2003)","2011","40","44","11687","11689","10.1039/c1dt11476j","","","0.71073","MoKα","","0.0296","0.0238","","","0.0419","0.0425","","","","","","0.915","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017454","8.0796","0.0009","14.0121","0.0012","19.121","0.0016","90","","90","","90","","2164.7","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Dy O6 -","- C24 H21 Dy O6 -","- C96 H84 Dy4 O24 -","4","1","","Luo, Feng; Liao, Zhen-Wei; Song, Yu-Mei; Huang, Hai-Xiao; Tian, Xiao-Zhao; Sun, Gong-Ming; Zhu, Yan; Yuan, Zi-Zun; Luo, Ming-Biao; Liu, Shu-Juan; Xu, Wen-Yuan; Feng, Xue-Feng","Chiral 1D Dy(iii) compound showing slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2011","40","47","12651","12655","10.1039/c1dt11582k","","","0.71073","MoKα","","0.0281","0.0246","","","0.0544","0.056","","","","","","1.028","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017462","8.0626","0.0005","8.7291","0.0006","12.9913","0.0009","90","","90","","90","","914.32","0.11","98","2","98","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 N8 Zn -","- C8 H4 N8 Zn -","- C32 H16 N32 Zn4 -","4","1","","Ouellette, Wayne; Darling, Kari; Prosvirin, Andrey; Whitenack, Kelly; Dunbar, Kim R.; Zubieta, Jon","Syntheses, structural characterization and properties of transition metal complexes of 5,5'-(1,4-phenylene)bis(1H-tetrazole) (H(2)bdt), 5',5''-(1,1'-biphenyl)-4,4'-diylbis(1H-tetrazole) (H(2)dbdt) and 5,5',5''-(1,3,5-phenylene)tris(1H-tetrazole) (H(3)btt).","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12288","12300","10.1039/c1dt11590a","","","0.71073","MoKα","","0.0307","0.0293","","","0.0694","0.0699","","","","","","1.072","","","","has coordinates","179878","2020-10-21","18:00:00",""
"7017493","13.1","0.0003","17.9804","0.0004","18.1855","0.0003","90","","90","","90","","4283.47","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H37 Cu O2 P2 S4 -","- C46 H37 Cu O2 P2 S4 -","- C184 H148 Cu4 O8 P8 S16 -","4","1","","Singh, Suryabhan; Chaturvedi, Jyotsna; Bhattacharya, Subrato","Studies of synthesis, structural features of Cu(I) thiophene-2-thiocarboxylates and unprecedented desulfurization of Cu(II) thiocarboxylate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","424","431","10.1039/c1dt10629e","","","0.71073","MoKα","","0.0727","0.0436","","","0.0914","0.098","","","","","","0.916","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017495","15.5066","0.0004","22.9558","0.0007","25.1741","0.0007","90","","90","","90","","8961.1","0.4","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C155 H218 Co2 N32 O51 P2 -","- C155 H218 Co2 N32 O51 P2 -","- C310 H436 Co4 N64 O102 P4 -","2","0.5","","Zobi, Fabio; Blacque, Olivier; Jacobs, Robert A.; Schaub, Marcus C.; Bogdanova, Anna Yu","17 e- rhenium dicarbonyl CO-releasing molecules on a cobalamin scaffold for biological application.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","370","378","10.1039/c1dt10649j","","","0.71073","MoKα","","0.1474","0.0706","","","0.1405","0.1588","","","","","","0.891","","","","has coordinates,has disorder","179878","2020-10-21","18:00:00",""
"7017496","15.8806","0.0002","21.8255","0.0003","26.2738","0.0004","90","","90","","90","","9106.6","0.2","183","2","183","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C67.4 H106 Br0.47 Co N14 O23.4 P Re0.47 -","- C67.3941 H106 Br0.4647 Co N14 O23.3941 P Re0.4647 -","- C269.576 H424 Br1.8588 Co4 N56 O93.5764 P4 Re1.8588 -","4","1","","Zobi, Fabio; Blacque, Olivier; Jacobs, Robert A.; Schaub, Marcus C.; Bogdanova, Anna Yu","17 e- rhenium dicarbonyl CO-releasing molecules on a cobalamin scaffold for biological application.","Dalton transactions (Cambridge, England : 2003)","2012","41","2","370","378","10.1039/c1dt10649j","","","0.71073","MoKα","","0.0932","0.0656","","","0.1816","0.1884","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7017590","9.238","0.002","17.369","0.004","30.368","0.007","90","","90","","90","","4872.7","1.9","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H39 Bi3 O6 S3 -","- C51 H39 Bi3 O6 S3 -","- C204 H156 Bi12 O24 S12 -","4","1","","Anjaneyulu, O.; Maddileti, D.; Kumara Swamy, K. C.","Structural motifs in phenylbismuth heterocyclic carboxylates‒secondary interactions leading to oligomers.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1004","1012","10.1039/c1dt11207d","","","0.71073","MoKα","","0.0408","0.0338","","","0.0803","0.0828","","","","","","1.051","","","","has coordinates","179879","2020-10-21","18:00:00",""
"7017635","13.476","0.005","15.687","0.007","27.56","0.01","90","","90","","90","","5826","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H71 Cl7 Cu3 N6 O5 -","- C47 H68 Cl7 Cu3 N6 O5 -","- C188 H272 Cl28 Cu12 N24 O20 -","4","1","","Kobyłka, Michał J; Janczak, Jan; Lis, Tadeusz; Kowalik-Jankowska, Teresa; Kłak, Julia; Pietruszka, Marta; Lisowski, Jerzy","Trinuclear Cu(ii) complexes of a chiral N(6)O(3) amine.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1503","1511","10.1039/c1dt11286d","","","0.71073","MoKα","","0.0719","0.0462","","","0.0823","0.085","","","","","","1.136","","","","has coordinates,has disorder","179880","2020-10-21","18:00:00",""
"7017669","9.2423","0.0012","17.0996","0.0015","25.117","0.003","90","","90","","90","","3969.5","0.8","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DPBa","","","- C42 H48 Ba O4 P2 -","- C42 H48 Ba O4 P2 -","- C168 H192 Ba4 O16 P8 -","4","1","","Daniels, Daisy P.; Deacon, Glen B.; Harakat, Dominique; Jaroschik, Florian; Junk, Peter C.","Synthesis and characterisation of alkaline earth bis(diphenylphosphano)metallocene complexes and heterobimetallic alkaline earth metal/platinum(II) complexes [Ae(thf)(x)(η5-C5H4PPh2)2Pt(Me)2] (Ae = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2012","41","1","267","277","10.1039/c1dt11324k","","","0.71073","MoKα","","0.1594","0.077","","","0.0961","0.1214","","","","","","0.949","","","","has coordinates","179880","2020-10-21","18:00:00",""
"7017703","15.595","0.004","15.799","0.003","30.128","0.005","90","","90","","90","","7423","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H64 Cl12 N16 O16 P4 V4 -","- C44 H64 Cl12 N16 O16 P4 V4 -","- C176 H256 Cl48 N64 O64 P16 V16 -","4","1","","Chandrasekhar, Vadapalli; Dey, Atanu; Senapati, Tapas; Sañudo, E Carolina","Distorted cubic tetranuclear vanadium(IV) phosphonate cages: double-four-ring (D4R) containing transition metal ion phosphonate cages.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","799","803","10.1039/c1dt11347j","","","0.71069","MoKα","","0.0406","0.0364","","","0.082","0.0847","","","","","","1.042","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017784","6.2459","0.0008","13.6956","0.0019","18.873","0.003","90","","90","","90","","1614.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Cl N2 O3 Re -","- C13 H20 Cl N2 O3 Re -","- C52 H80 Cl4 N8 O12 Re4 -","4","1","","Drozdz, Anita; Bubrin, Martina; Fiedler, Jan; Záliš, Stanislav; Kaim, Wolfgang","(α-Diimine)tricarbonylhalorhenium complexes: the oxidation side.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","1013","1019","10.1039/c1dt11449b","","","0.71073","MoKα","","0.1106","0.0587","","","0.1349","0.1416","","","","","","1.11","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017788","7.4647","0.0003","10.1931","0.0004","11.7396","0.0004","90","","90","","90","","893.25","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 N3 O2 -","- C10 H7 N3 O2 -","- C40 H28 N12 O8 -","4","1","","Murray, Paul R.; Crawford, Stephen; Dawson, Alice; Delf, Alexander; Findlay, Calum; Jack, Lorna; McInnes, Eric J. L.; Al-Musharafi, Salma; Nichol, Gary S.; Oswald, Iain; Yellowlees, Lesley J.","On the electronic structure of nitro-substituted bipyridines and their platinum complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","1","201","207","10.1039/c1dt11456e","","","0.71073","MoKα","","0.0351","0.0287","","","0.0652","0.0676","","","","","","1.036","","","","has coordinates","179881","2020-10-21","18:00:00",""
"7017936","8.36232","0.0001","9.50201","0.0001","16.9992","0.0003","90","","90","","90","","1350.74","0.03","290","2","290","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cl4 K O2 Rh S2 -","- C4 H12 Cl4 K O2 Rh S2 -","- C16 H48 Cl16 K4 O8 Rh4 S8 -","4","1","","Abbasi, Alireza; Geranmayeh, Shokoofeh; Skripkin, Mikhail Y.; Eriksson, Lars","Potassium ion-mediated non-covalent bonded coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2012","41","3","850","859","10.1039/c1dt11698c","","","0.71073","MoKα","","0.0201","0.0194","","","0.045","0.0452","","","","","","1.127","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017944","13.816","0.002","14.387","0.002","15.751","0.003","90","","90","","90","","3130.8","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 N4 O2 Si -","- C33 H48 N4 O2 Si -","- C132 H192 N16 O8 Si4 -","4","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Stalke, Dietmar","Double N-H bond activation of N,N'-bis-substituted hydrazines with stable N-heterocyclic silylene.","Dalton transactions (Cambridge, England : 2003)","2012","41","5","1529","1533","10.1039/c1dt11708d","","","0.71073","MoKα","","0.0461","0.0393","","","0.0873","0.0914","","","","","","1.023","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7017994","9.817","0.0002","14.5065","0.0003","21.6341","0.0006","90","","90","","90","","3080.92","0.12","293","2","293","2","","","","","","","synthesis as described","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Cl N3 O2 P Pd S -","- C28 H27 Cl N3 O2 P Pd S -","- C112 H108 Cl4 N12 O8 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Ramachandran, E.; Dallemer, F.; Paramaguru, G.; Renganathan, R.; Poornima, P.; Vijaya Padma, V.; Natarajan, K.","Influence of terminal substitution on structural, DNA, Protein binding, anticancer and antibacterial activities of palladium(ii) complexes containing 3-methoxy salicylaldehyde-4(N) substituted thiosemicarbazones.","Dalton transactions (Cambridge, England : 2003)","2012","41","8","2486","2499","10.1039/c1dt11838b","","x-ray","0.71073","MoKα","","0.099","0.0481","","","0.0991","0.1124","","","","","","1.011","","","","has coordinates","179883","2020-10-21","18:00:00",""
"7018021","10.7943","0.0011","13.7756","0.0003","14.8223","0.0004","90","","90","","90","","2204","0.2","180","1","180","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Br2 O P4 Pd2 S -","- C10 H28 Br2 O P4 Pd2 S -","- C40 H112 Br8 O4 P16 Pd8 S4 -","4","1","","Pamplin, Craig B.; Rettig, Steven J.; Patrick, Brian O.; James, Brian R.","Reactivity of the bridged-sulfide complex Pd(2)Cl(2)(μ-S)(μ-dmpm)(2) toward electrophiles.","Dalton transactions (Cambridge, England : 2003)","2012","41","7","1991","2002","10.1039/c1dt11961c","","","0.71073","MoKα","","0.0294","0.0259","","","0.0626","0.0658","","","","","","1.026","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018023","11.043","0.0009","15.0977","0.0012","20.7375","0.0017","90","","90","","90","","3457.4","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H35 Cu N5 O19 W6 -","- C18 H33 Cu N5 O19 W6 -","- C72 H132 Cu4 N20 O76 W24 -","4","1","","Sarma, Monima; Chatterjee, Tanmay; Vindhya, Hanumanthugari; Das, Samar K.","Spontaneous resolution through helical association of a Cu-azamacrocyclic complex with Lindqvist-type isopolyanion.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1862","1866","10.1039/c1dt11987g","","","0.71073","MoKα","","0.0331","0.0285","","","0.0533","0.0547","","","","","","1.016","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018024","10.9162","0.0007","14.9446","0.001","20.5098","0.0013","90","","90","","90","","3345.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H35 Cu Mo6 N5 O19 -","- C18 H35 Cu Mo6 N5 O19 -","- C72 H140 Cu4 Mo24 N20 O76 -","4","1","","Sarma, Monima; Chatterjee, Tanmay; Vindhya, Hanumanthugari; Das, Samar K.","Spontaneous resolution through helical association of a Cu-azamacrocyclic complex with Lindqvist-type isopolyanion.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1862","1866","10.1039/c1dt11987g","","","0.71073","MoKα","","0.0172","0.0165","","","0.0368","0.037","","","","","","1.043","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018025","11.0347","0.001","15.0878","0.0013","20.732","0.0018","90","","90","","90","","3451.7","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H35 Cu N5 O19 W6 -","- C18 H33 Cu N5 O19 W6 -","- C72 H132 Cu4 N20 O76 W24 -","4","1","","Sarma, Monima; Chatterjee, Tanmay; Vindhya, Hanumanthugari; Das, Samar K.","Spontaneous resolution through helical association of a Cu-azamacrocyclic complex with Lindqvist-type isopolyanion.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1862","1866","10.1039/c1dt11987g","","","0.71073","MoKα","","0.025","0.0238","","","0.0559","0.0564","","","","","","1.076","","","","has coordinates","179884","2020-10-21","18:00:00",""
"7018178","7.7915","0.0003","7.7915","0.0003","16.5088","0.0009","90","","90","","90","","1002.21","0.08","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Co N4 S2 -","- C8 H6 Co N4 S2 -","- C32 H24 Co4 N16 S8 -","4","1","","Zhang, Jing; Gao, Song; Zhang, Xi-Xiang; Wang, Zhe-Ming; Che, Chi-Ming","Weak ferromagnetism in chiral diamond-like neutral networks: Mn(2-pymS)(2) and Co(2-pymS)(2) (2-pymSH = 2-mercaptopyrimidine).","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2626","2631","10.1039/c2dt11738j","","","0.71073","MoKα","","0.0688","0.0301","","","0.0523","0.0611","","","","","","0.874","","","","has coordinates","179885","2020-10-21","18:00:00",""
"7018241","9.8336","0.0009","16.747","0.002","25.057","0.003","90","","90","","90","","4126.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H62 B Fe N4 -","- C44 H62 B Fe N4 -","- C176 H248 B4 Fe4 N16 -","4","1","","Zlatogorsky, Sergey; Ingleson, Michael J.","Synthesis and solvent dependent reactivity of chelating bis-N-heterocyclic carbene complexes of Fe((II)) hydrides.","Dalton transactions (Cambridge, England : 2003)","2012","41","9","2685","2693","10.1039/c2dt12048h","","","0.71073","MoKα","","0.112","0.0725","","","0.1743","0.2013","","","","","","1.033","","","","has coordinates,has disorder","179886","2020-10-21","18:00:00",""
"7018332","13.1036","0.0002","13.4935","0.0003","25.6718","0.0004","90","","90","","90","","4539.12","0.14","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","LaDME","","","- C44 H71 La O7 -","- C44 H71 La O7 -","- C176 H284 La4 O28 -","4","1","","Hamidi, Shima; Deacon, Glen B.; Junk, Peter C.; Neumann, Paul","Direct reaction of iodine-activated lanthanoid metals with 2,6-diisopropylphenol.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3541","3552","10.1039/c2dt11752e","","","0.7107","MoKα","","0.0352","0.0298","","","0.0571","0.0591","","","","","","1.004","","","","has coordinates","179887","2020-10-21","18:00:00",""
"7018365","13.8504","0.0014","14.2408","0.0015","23.225","0.002","90","","90","","90","","4580.9","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-bis(benzoquinoline imine) cyclohexane Ni I2, dichloromethane","","- C36.65 H33.3 Cl7.15 I2.15 N4 Ni2 -","- C36.65 H33.3 Cl7.145 I2.155 N4 Ni2 -","- C146.6 H133.2 Cl28.58 I8.62 N16 Ni8 -","4","1","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.1935","0.0784","","","0.1883","0.2287","","","","","","0.974","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018368","12.1481","0.0014","22.485","0.003","19.246","0.002","90","","90","","90","","5257","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","DP-2-68-1","","- C47.6 H41.2 Cl3.2 I4 N4 Ni2 O -","- C47.6 H41.2 Cl3.2 I4 N4 Ni2 O -","- C190.4 H164.8 Cl12.8 I16 N16 Ni8 O4 -","4","1","","Prema, Dipesh; Oshin, Kayode; Desper, John; Levy, Christopher J.","Mono- and dinuclear nickel(ii) complexes of resolved Schiff-base ligands with extended quinoline substituents.","Dalton transactions (Cambridge, England : 2003)","2012","41","16","4998","5009","10.1039/c2dt11813k","","","0.71073","MoKα","","0.0742","0.0587","","","0.144","0.1521","","","","","","1.057","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7018476","10.7482","0.0012","11.7997","0.0013","14.7279","0.0015","90","","90","","90","","1867.9","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C96 H72 N8 O16 -","8","2","","Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle","A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid.","Dalton transactions (Cambridge, England : 2003)","2012","41","14","4224","4231","10.1039/c2dt12016j","","","0.71073","MoKα","","0.1068","0.0547","","","0.1","0.1177","","","","","","0.955","","","","has coordinates","179888","2020-10-21","18:00:00",""
"7018580","12.2947","0.0004","16.4427","0.0005","19.7658","0.0006","90","","90","","90","","3995.8","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H52 Br2 N2 O Si2 Zn -","- C39 H52 Br2 N2 O Si2 Zn -","- C156 H208 Br8 N8 O4 Si8 Zn4 -","4","1","","Gessner, Viktoria H.; Strohmann, Carsten","Preparation of aminomethyl functionalised silanes via an α-lithiated amine: From their synthesis, stability and crystal structures to stereochemical issues.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3452","3460","10.1039/c2dt12163h","","","0.71073","MoKα","","0.0351","0.0255","","","0.0392","0.0397","","","","","","1.016","","","","has coordinates","179889","2020-10-21","18:00:00",""
"7018583","11.5227","0.0015","19.681","0.003","20.917","0.003","90","","90","","90","","4743.5","1.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H66 Eu N4 O -","- C50 H66 Eu N4 O -","- C200 H264 Eu4 N16 O4 -","4","1","","Shen, Xiaodong; Zhang, Yong; Xue, Mingqiang; Shen, Qi","Reduction of Sterically Hindered β-Diketiminato Europium(iii) Complexes by the β-Diketiminato Anion: A Convenient Route for the Synthesis of β-Diketiminato Europium(ii) Complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3668","3674","10.1039/c2dt12176j","","","0.71075","MoKα","","0.0468","0.0416","","","0.0719","0.0751","","","","","","1.033","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018584","12.4327","0.0008","19.2691","0.0012","24.748","0.0016","90","","90","","90","","5928.8","0.7","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C65 H90 Eu N4 -","- C65 H82 Eu N4 -","- C260 H328 Eu4 N16 -","4","1","","Shen, Xiaodong; Zhang, Yong; Xue, Mingqiang; Shen, Qi","Reduction of Sterically Hindered β-Diketiminato Europium(iii) Complexes by the β-Diketiminato Anion: A Convenient Route for the Synthesis of β-Diketiminato Europium(ii) Complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","13","3668","3674","10.1039/c2dt12176j","","","0.71075","MoKα","","0.0508","0.0468","","","0.0888","0.0927","","","","","","1.096","","","","has coordinates,has disorder","179889","2020-10-21","18:00:00",""
"7018610","11.9353","0.0003","13.7947","0.0004","22.2867","0.0006","90","","90","","90","","3669.37","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 Cl3 O2 P Pd -","- C45 H34 Cl3 O2 P Pd -","- C180 H136 Cl12 O8 P4 Pd4 -","4","1","","Ficks, Arne; Hiney, Rachel M.; Harrington, Ross W.; Gilheany, Declan G.; Higham, Lee J.","MOP-phosphonites: A novel ligand class for asymmetric catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3515","3522","10.1039/c2dt12214f","","","0.71073","MoKα","","0.0396","0.0281","","","0.0444","0.0457","","","","","","0.88","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018611","12.0059","0.0004","13.8615","0.0004","22.5034","0.0007","90","","90","","90","","3745","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 Cl3 O2 P Pd -","- C45 H34 Cl3 O2 P Pd -","- C180 H136 Cl12 O8 P4 Pd4 -","4","1","","Ficks, Arne; Hiney, Rachel M.; Harrington, Ross W.; Gilheany, Declan G.; Higham, Lee J.","MOP-phosphonites: A novel ligand class for asymmetric catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3515","3522","10.1039/c2dt12214f","","","0.71073","MoKα","","0.0509","0.0311","","","0.0501","0.0525","","","","","","0.876","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018612","12.137","0.0002","14.4938","0.0003","23.2109","0.0005","90","","90","","90","","4083.06","0.14","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H44 Cl O4 P Pd -","- C49 H44 Cl O4 P Pd -","- C196 H176 Cl4 O16 P4 Pd4 -","4","1","","Ficks, Arne; Hiney, Rachel M.; Harrington, Ross W.; Gilheany, Declan G.; Higham, Lee J.","MOP-phosphonites: A novel ligand class for asymmetric catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3515","3522","10.1039/c2dt12214f","","","0.71073","MoKα","","0.0511","0.03","","","0.0548","0.0574","","","","","","0.892","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018613","10.4065","0.0004","17.4563","0.0004","21.7841","0.0005","90","","90","","90","","3957.3","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 Cl3 O3 P Pd -","- C45 H34 Cl O3 P Pd -","- C180 H136 Cl4 O12 P4 Pd4 -","4","1","","Ficks, Arne; Hiney, Rachel M.; Harrington, Ross W.; Gilheany, Declan G.; Higham, Lee J.","MOP-phosphonites: A novel ligand class for asymmetric catalysis.","Dalton transactions (Cambridge, England : 2003)","2012","41","12","3515","3522","10.1039/c2dt12214f","","","0.71073","MoKα","","0.0455","0.0385","","","0.0887","0.0931","","","","","","1.038","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018654","9.216","0.0018","13.813","0.003","17.342","0.004","90","","90","","90","","2207.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 N6 O4 -","- C23 H24 N6 O4 -","- C92 H96 N24 O16 -","4","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.76999","synchrotronradiation","","0.0631","0.0612","","","0.167","0.1687","","","","","","0.99","","","","has coordinates","179890","2020-10-21","18:00:00",""
"7018667","8.682","0.0017","13.293","0.003","16.419","0.003","90","","90","","90","","1894.9","0.7","293","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Cu N5 O -","- C17 H21 Cl2 Cu N5 O -","- C68 H84 Cl8 Cu4 N20 O4 -","4","1","","Clegg, Jack K.; Harrowfield, Jack; Kim, Yang; Lee, Young Hoon; Lehn, Jean-Marie; Lim, Woo Taik; Thuéry, Pierre","Chelation-controlled molecular morphology: aminal to imine rearrangements.","Dalton transactions (Cambridge, England : 2003)","2012","41","15","4335","4357","10.1039/c2dt12250b","","","0.76999","synchrotronradiation","","0.0924","0.0863","","","0.2525","0.266","","","","","","1.148","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7018760","7.578","0.004","10.822","0.005","28.38","0.014","90","","90","","90","","2327","2","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 N5 -","- C31 H21 N5 -","- C124 H84 N20 -","4","1","","Wang, Nan; Lu, Jia-Sheng; McCormick, Theresa M.; Wang, Suning","Ru-Pt and Ru-Pd heterobimetallic complexes based on a new ligand with two distinct chelate sites.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5553","5561","10.1039/c2dt00015f","","","0.71073","MoKα","","0.0991","0.0858","","","0.2113","0.22","","","","","","1.147","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018761","12.1096","0.0018","12.2832","0.0018","13.777","0.002","90","","90","","90","","2049.3","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 Pd -","- C24 H20 N2 O2 Pd -","- C96 H80 N8 O8 Pd4 -","4","1","","Wang, Nan; Lu, Jia-Sheng; McCormick, Theresa M.; Wang, Suning","Ru-Pt and Ru-Pd heterobimetallic complexes based on a new ligand with two distinct chelate sites.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5553","5561","10.1039/c2dt00015f","","","0.71073","MoKα","","0.072","0.0497","","","0.1159","0.1316","","","","","","1.074","","","","has coordinates","179891","2020-10-21","18:00:00",""
"7018791","9.98","0.001","15.62","0.001","26.652","0.001","90","","90","","90","","4154.7","0.5","150","0.1","150","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H52 Cl2 Fe O P2 Pt Ru -","- C45 H52 Cl2 Fe O P2 Pt Ru -","- C180 H208 Cl8 Fe4 O4 P8 Pt4 Ru4 -","4","1","","Carmichael, Duncan; le Goff, Xavier F.; Muller, Eric; Ricard, Louis; Stankevič, Marek","Diastereoselective synthesis and coordination chemistry of enantiopure keto-bis-(2-phosphametallocene)s.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5155","5162","10.1039/c2dt11647b","","","0.71069","MoKα","","0.0616","0.0394","","","0.0769","0.0845","","","","","","0.975","","","","has coordinates,has disorder","179891","2020-10-21","18:00:00",""
"7018814","15.379","0.003","16.291","0.003","23.329","0.005","90","","90","","90","","5845","2","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 B2 F8 Fe N10 -","- C26 H18 B2 F8 Fe N10 -","- C208 H144 B16 F64 Fe8 N80 -","8","2","","Salitroš, Ivan; Fuhr, Olaf; Eichhöfer, Andreas; Kruk, Robert; Pavlik, Ján; Dlháň, Lubor; Boča, Roman; Ruben, Mario","The interplay of iron(ii) spin transition and polymorphism.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5163","5171","10.1039/c2dt11906d","","","0.71073","MoKα","","0.1072","0.0498","","","0.0709","0.082","","","","","","0.874","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018815","15.681","0.003","16.3","0.003","23.553","0.005","90","","90","","90","","6020","2","350","2","350","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 B2 F8 Fe N10 -","- C26 H18 B2 F8 Fe N10 -","- C208 H144 B16 F64 Fe8 N80 -","8","2","","Salitroš, Ivan; Fuhr, Olaf; Eichhöfer, Andreas; Kruk, Robert; Pavlik, Ján; Dlháň, Lubor; Boča, Roman; Ruben, Mario","The interplay of iron(ii) spin transition and polymorphism.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5163","5171","10.1039/c2dt11906d","","","0.71073","MoKα","","0.0929","0.0593","","","0.1535","0.1713","","","","","","0.954","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018849","6.0471","0.0006","9.0763","0.0012","20.933","0.003","90","","90","","90","","1148.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-ImPh-6-MePhenol","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Meally, Seán T; McDonald, Cecelia; Kealy, Patrick; Taylor, Stephanie M.; Brechin, Euan K.; Jones, Leigh F.","Investigating the solid state hosting abilities of homo- and hetero-valent [Co(7)] metallocalix[6]arenes.","Dalton transactions (Cambridge, England : 2003)","2012","41","18","5610","5616","10.1039/c2dt12229d","","","0.7107","MoKα","","0.1138","0.0751","","","0.1584","0.1874","","","","","","1.015","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018854","14.205","0.005","9.867","0.005","19.274","0.005","90","","90","","90","","2701.5","1.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Cl N3 P Pd S -","- C29 H23 Cl N3 P Pd S -","- C116 H92 Cl4 N12 P4 Pd4 S4 -","4","1","","Sindhuja, Elangovan; Ramesh, Rengan; Liu, Yu","Palladium(ii) thiocarboxamide complexes: synthesis, characterisation and application to catalytic Suzuki coupling reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5351","5361","10.1039/c2dt12243j","","","0.71073","MoKα","","0.095","0.0477","","","0.1023","0.1238","","","","","","0.912","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018869","5.2531","0.0006","11.825","0.0013","13.8956","0.0015","90","","90","","90","","863.17","0.17","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bromoalaninemethylester","R-3-Bromoalaninemethylesterhydrobromide","","- C4 H9 Br2 N O2 -","- C4 H9 Br2 N O2 -","- C16 H36 Br8 N4 O8 -","4","1","","Kraehmer, Verena; Rehder, Dieter","Modelling the site of bromide binding in vanadate-dependent bromoperoxidases.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5225","5234","10.1039/c2dt12287a","","","0.71073","MoKα","","0.0248","0.0225","","","0.0476","0.0481","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7018890","10.8879","0.0002","12.1286","0.0003","17.4097","0.0004","90","","90","","90","","2299.04","0.09","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl2 N O4 P Pd -","- C20 H24 Cl2 N O4 P Pd -","- C80 H96 Cl8 N4 O16 P4 Pd4 -","4","1","","Chen, Ke; Pullarkat, Sumod A.; Ma, Mengtao; Li, Yongxin; Leung, Pak-Hing","Chiral cyclopalladated complex promoted asymmetric synthesis of diester-substituted P,N-ligands via stepwise hydrophosphination and hydroamination reactions.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5391","5400","10.1039/c2dt12379g","","","0.71073","MoKα","","0.0474","0.0359","","","0.0534","0.0578","","","","","","1.045","","","","has coordinates","179892","2020-10-21","18:00:00",""
"7018936","9.778","0.0004","12.8059","0.0005","17.2117","0.0005","90","","90","","90","","2155.18","0.14","130","2","130.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 B9 I N2 O2 S -","- C12 H26 B9 I N2 O2 S -","- C48 H104 B36 I4 N8 O8 S4 -","4","1","","Frank, René; Grell, Toni; Hiller, Markus; Hey-Hawkins, Evamarie","Electrophilic substitution of the nido-dicarbaborate anion 7,8-nido-C2B9H12− with sulfenyl chlorides","Dalton Transactions","2012","41","20","6155","","10.1039/c2dt12501c","","","0.71073","MoKα","","0.0831","0.0484","","","0.0563","0.0637","","","","","","0.97","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018937","6.9282","0.0002","10.5139","0.0002","24.18","0.0004","90","","90","","90","","1761.33","0.07","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H22 B9 I N2 S -","- C7 H22 B9 I N2 S -","- C28 H88 B36 I4 N8 S4 -","4","1","","Frank, René; Grell, Toni; Hiller, Markus; Hey-Hawkins, Evamarie","Electrophilic substitution of the nido-dicarbaborate anion 7,8-nido-C2B9H12− with sulfenyl chlorides","Dalton Transactions","2012","41","20","6155","","10.1039/c2dt12501c","","","0.71073","MoKα","","0.0317","0.0281","","","0.0562","0.0575","","","","","","1.071","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018950","12.3008","0.0012","14.607","0.002","26.589","0.004","90","","90","","90","","4777.5","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H50 B2 Co F2 N6 O8 -","- C50 H50 B2 Co F2 N6 O8 -","- C200 H200 B8 Co4 F8 N24 O32 -","4","1","","Voloshin, Y. Z.; Belov, A. S.; Vologzhanina, A. V.; Aleksandrov, G. G.; Dolganov, A. V.; Novikov, V. V.; Varzatskii, O. A.; Bubnov, Y. N.","Synthesis, structure, properties and immobilization on a gold surface of the monoribbed-functionalized tris-dioximate cobalt(ii) clathrochelates and an electrocatalytic hydrogen production from H+ ions","Dalton Transactions","2012","41","20","6078","","10.1039/c2dt12513g","","","0.71073","MoKα","","0.0805","0.0474","","","0.0741","0.0844","","","","","","1.034","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018951","11.041","0.002","12.489","0.003","24.3","0.005","90","","90","","90","","3350.8","1.2","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H24 B2 Co F2 N6 O6 S2 -","- C32 H24 B2 Co F2 N6 O6 S2 -","- C128 H96 B8 Co4 F8 N24 O24 S8 -","4","1","","Voloshin, Y. Z.; Belov, A. S.; Vologzhanina, A. V.; Aleksandrov, G. G.; Dolganov, A. V.; Novikov, V. V.; Varzatskii, O. A.; Bubnov, Y. N.","Synthesis, structure, properties and immobilization on a gold surface of the monoribbed-functionalized tris-dioximate cobalt(ii) clathrochelates and an electrocatalytic hydrogen production from H+ ions","Dalton Transactions","2012","41","20","6078","","10.1039/c2dt12513g","","","0.71073","MoKα","","0.1069","0.0588","","","0.1214","0.1476","","","","","","1.044","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7018967","12.0599","0.0007","12.2821","0.0011","16.239","0.0008","90","","90","","90","","2405.3","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N2 Sb Se -","- C26 H27 N2 Sb Se -","- C104 H108 N8 Sb4 Se4 -","4","1","","Simon, Petr; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; De Proft, Frank; Dostál, Libor","Monomeric organoantimony(iii) sulphide and selenide with terminal Sb-E bond (E = S, Se). Synthesis, structure and theoretical consideration.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5140","5143","10.1039/c2dt30146f","","","0.71073","MoKα","","0.033","0.0243","","","0.0509","0.0555","","","","","","1.09","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018968","12.1292","0.0007","12.1288","0.0017","16.2089","0.0018","90","","90","","90","","2384.5","0.4","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N2 S Sb -","- C26 H27 N2 S Sb -","- C104 H108 N8 S4 Sb4 -","4","1","","Simon, Petr; Jambor, Roman; Růžička, Aleš; Lyčka, Antonín; De Proft, Frank; Dostál, Libor","Monomeric organoantimony(iii) sulphide and selenide with terminal Sb-E bond (E = S, Se). Synthesis, structure and theoretical consideration.","Dalton transactions (Cambridge, England : 2003)","2012","41","17","5140","5143","10.1039/c2dt30146f","","","0.71073","MoKα","","0.0564","0.0451","","","0.101","0.1096","","","","","","1.136","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7018987","6.0825","0.0012","10.182","0.002","12.533","0.003","90","","90","","90","","776.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Co N4 O2 -","- C6 H4 Co N4 O2 -","- C24 H16 Co4 N16 O8 -","4","1","","Yang, Qian; Zhao, Jiong-Peng; Song, Wei-Chao; Bu, Xian-He","Two azido-bridged cobalt(ii) coordination polymers with nicotinate co-ligand: synthesis, structures and magnetic properties","Dalton Transactions","2012","41","20","6272","","10.1039/c2dt30262d","","","0.71073","MoKα","","0.03","0.0264","","","0.0513","0.0522","","","","","","1.134","","","","has coordinates","179893","2020-10-21","18:00:00",""
"7019026","10.16474","0.00007","16.10208","0.00009","16.90466","0.0001","90","","90","","90","","2766.84","0.03","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cl5 Cr N3 S2 -","- C20 H29 Cl5 Cr N3 S2 -","- C80 H116 Cl20 Cr4 N12 S8 -","4","1","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","1.54184","CuKα","","0.0375","0.028","","","0.0577","0.0603","","","","","","0.933","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019033","7.66033","0.00007","12.99066","0.00011","24.7438","0.0002","90","","90","","90","","2462.32","0.04","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br Cl2 N2 Ni S2 -","- C25 H21 Br Cl2 N2 Ni S2 -","- C100 H84 Br4 Cl8 N8 Ni4 S8 -","4","1","","Nobbs, James D.; Tomov, Atanas K.; Cariou, Renan; Gibson, Vernon C.; White, Andrew J. P.; Britovsek, George J. P.","Thio-Pybox and Thio-Phebox complexes of chromium, iron, cobalt and nickel and their application in ethylene and butadiene polymerisation catalysis","Dalton Transactions","2012","41","19","5949","","10.1039/c2dt30324h","","","0.71073","MoKα","","0.0408","0.031","","","0.0729","0.0797","","","","","","1.052","","","","has coordinates,has disorder","179894","2020-10-21","18:00:00",""
"7019110","10.4048","0.0011","11.3542","0.0013","14.9983","0.0018","90","","90","","90","","1771.9","0.3","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cu N4 O2 -","- C18 H20 Cu N4 O2 -","- C72 H80 Cu4 N16 O8 -","4","1","","Martí, Inés; Ferrer, Armando; Escorihuela, Jorge; Burguete, M. Isabel; Luis, Santiago V.","Copper(ii) complexes of bis(amino amide) ligands: effect of changes in the amino acid residue.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6764","6776","10.1039/c2dt12459a","","","0.71073","MoKα","","0.1022","0.05","","","0.104","0.1244","","","","","","1.017","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019111","9.5315","0.0002","12.0135","0.0003","20.7584","0.0004","90","","90","","90","","2376.98","0.09","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 Cu N4 O4 -","- C23 H34 Cu N4 O4 -","- C92 H136 Cu4 N16 O16 -","4","1","","Martí, Inés; Ferrer, Armando; Escorihuela, Jorge; Burguete, M. Isabel; Luis, Santiago V.","Copper(ii) complexes of bis(amino amide) ligands: effect of changes in the amino acid residue.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6764","6776","10.1039/c2dt12459a","","","0.71073","MoKα","","0.0303","0.0257","","","0.0648","0.0667","","","","","","1.012","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019133","8.8585","0.0002","11.5296","0.0003","16.1551","0.0004","90","","90","","90","","1650","0.07","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","309_494_A","","","- C9 H12 Cl3 N4 O2 P3 -","- C9 H12 Cl3 N4 O2 P3 -","- C36 H48 Cl12 N16 O8 P12 -","4","1","","Eçik, Esra Tanrıverdi; Beşli, Serap; Ciftçi, Gönül Yenilmez; Davies, David B.; Kılıç, Adem; Yuksel, Fatma","Stereo-selectivity in a cyclotriphosphazene derivative bearing an exocyclic P-O moiety.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6715","6725","10.1039/c2dt30239j","","","0.71073","MoKα","","0.028","0.0266","","","0.0712","0.0722","","","","","","1.068","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019172","13.2089","0.0019","21.194","0.003","24.281","0.004","90","","90","","90","","6797.5","1.8","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H59 F28 La N Na O8 -","- C58 H59 F28 La N Na O8 -","- C232 H236 F112 La4 N4 Na4 O32 -","4","1","","Lin, Yiji; Zou, Fang; Wan, Shigang; Ouyang, Jie; Lin, Lirong; Zhang, Hui","Dynamic chiral-at-metal stability of tetrakis(d/l-hfc)Ln(iii) complexes capped with an alkali metal cation in solution.","Dalton transactions (Cambridge, England : 2003)","2012","41","22","6696","6706","10.1039/c2dt30431g","","","0.71073","MoKα","","0.077","0.0606","","","0.1426","0.1561","","","","","","1.031","","","","has coordinates","179895","2020-10-21","18:00:00",""
"7019239","8.4968","0.001","13.2926","0.0016","24.819","0.003","90","","90","","90","","2803.2","0.6","185","2","185","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Cl3 N0 O2 Ti -","- C31 H29 Cl3 O2 Ti -","- C124 H116 Cl12 O8 Ti4 -","4","1","","Wang, Li; Wu, Qiaolin; Xu, Hao; Mu, Ying","Synthesis and structures of (R)-cyclopentadienyl-binaphthoxy titanium(iv) complexes and catalytic properties for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7350","7357","10.1039/c2dt12471h","","","0.71073","MoKα","","0.1458","0.0727","","","0.0934","0.1115","","","","","","0.986","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019241","14.4117","0.0006","15.2587","0.0006","23.3763","0.001","90","","90","","90","","5140.5","0.4","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Br2 O2 Ti -","- C29 H24 Br2 O2 Ti -","- C232 H192 Br16 O16 Ti8 -","8","2","","Wang, Li; Wu, Qiaolin; Xu, Hao; Mu, Ying","Synthesis and structures of (R)-cyclopentadienyl-binaphthoxy titanium(iv) complexes and catalytic properties for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7350","7357","10.1039/c2dt12471h","","","0.71073","MoKα","","0.058","0.0377","","","0.072","0.0774","","","","","","0.95","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019246","6.9676","0.0003","17.4113","0.0008","18.6278","0.0009","90","","90","","90","","2259.83","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H28 Cu2 N6 O17 S2 -","- C8 H28 Cu2 N6 O17 S2 -","- C32 H112 Cu8 N24 O68 S8 -","4","1","","Murdock, Christopher R.; Lu, Zheng; Jenkins, David M.","Utilizing a copper MOF as a reagent in a solvent mediated reaction to form a topologically distinct MOF.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","7839","7841","10.1039/c2dt30078h","","","0.71073","MoKα","","0.0297","0.0269","","","0.0674","0.0692","","","","","","1.043","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7019248","8.683","0.002","19.888","0.006","23.197","0.006","90","","90","","90","","4005.8","1.8","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H58 B N4 O4 Si2 Y -","- C31 H58 B N4 O4 Si2 Y -","- C124 H232 B4 N16 O16 Si8 Y4 -","4","1","","Li, Wenbo; Xue, Mingqiang; Tu, Jing; Zhang, Yong; Shen, Qi","Syntheses and structures of lanthanide borohydrides supported by a bridged bis(amidinate) ligand and their high activity for controlled polymerization of ε-caprolactone, l-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7258","7265","10.1039/c2dt30096f","","","0.71075","MoKα","","0.0885","0.0551","","","0.0996","0.113","","","","","","0.843","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019249","8.7384","0.0007","20.0777","0.0019","23.162","0.002","90","","90","","90","","4063.7","0.6","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H58 B N4 Nd O4 Si2 -","- C31 H58 B N4 Nd O4 Si2 -","- C124 H232 B4 N16 Nd4 O16 Si8 -","4","1","","Li, Wenbo; Xue, Mingqiang; Tu, Jing; Zhang, Yong; Shen, Qi","Syntheses and structures of lanthanide borohydrides supported by a bridged bis(amidinate) ligand and their high activity for controlled polymerization of ε-caprolactone, l-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7258","7265","10.1039/c2dt30096f","","","0.71075","MoKα","","0.1293","0.0861","","","0.1389","0.1632","","","","","","1.067","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019250","8.697","0.0005","19.9369","0.0011","23.1964","0.0013","90","","90","","90","","4022.1","0.4","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H58 B N4 O4 Si2 Sm -","- C31 H58 B N4 O4 Si2 Sm -","- C124 H232 B4 N16 O16 Si8 Sm4 -","4","1","","Li, Wenbo; Xue, Mingqiang; Tu, Jing; Zhang, Yong; Shen, Qi","Syntheses and structures of lanthanide borohydrides supported by a bridged bis(amidinate) ligand and their high activity for controlled polymerization of ε-caprolactone, l-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7258","7265","10.1039/c2dt30096f","","","0.71075","MoKα","","0.0497","0.0459","","","0.1105","0.1133","","","","","","1.093","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019251","8.6469","0.0012","19.79","0.003","23.214","0.003","90","","90","","90","","3972.4","1","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H58 B N4 O4 Si2 Yb -","- C31 H58 B N4 O4 Si2 Yb -","- C124 H232 B4 N16 O16 Si8 Yb4 -","4","1","","Li, Wenbo; Xue, Mingqiang; Tu, Jing; Zhang, Yong; Shen, Qi","Syntheses and structures of lanthanide borohydrides supported by a bridged bis(amidinate) ligand and their high activity for controlled polymerization of ε-caprolactone, l-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7258","7265","10.1039/c2dt30096f","","","0.71075","MoKα","","0.0521","0.0421","","","0.0776","0.0823","","","","","","0.957","","","","has coordinates,has disorder","179896","2020-10-21","18:00:00",""
"7019353","10.5042","0.0003","13.5441","0.0005","17.1378","0.0006","90","","90","","90","","2438.19","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 I4 P -","- C21 H21 I4 P -","- C84 H84 I16 P4 -","4","1","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.1094","0.0768","","","0.1784","0.2026","","","","","","1.176","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019358","10.133","0.0003","13.4817","0.0005","16.1088","0.0006","90","","90","","90","","2200.62","0.13","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br4 P -","- C21 H21 Br4 P -","- C84 H84 Br16 P4 -","4","1","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.0906","0.0625","","","0.1243","0.1406","","","","","","1.07","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019361","10.188","0.0004","13.561","0.0008","16.319","0.001","90","","90","","90","","2254.6","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 As Br4 -","- C21 H21 As Br4 -","- C84 H84 As4 Br16 -","4","1","","Alhanash, Fatma B.; Barnes, Nicholas A.; Godfrey, Stephen M.; Hurst, Paul A.; Hutchinson, Adrian; Khan, Rana Z.; Pritchard, Robin G.","Structural isomerism in tris-tolyl halo-phosphonium and halo-arsonium tri-halides, [(CH(3)C(6)H(4))(3)EX][X(3)], (E = P, As; X = Br, I).","Dalton transactions (Cambridge, England : 2003)","2012","41","25","7708","7728","10.1039/c2dt30235g","","x-ray","0.71073","MoKα","","0.0517","0.04","","","0.082","0.0875","","","","","","1.073","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019364","11.4562","0.0016","22.38","0.003","25.144","0.003","90","","90","","90","","6446.7","1.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H92 Cl3 K N2 O7 U -","- C59 H92 Cl3 K N2 O7 U -","- C236 H368 Cl12 K4 N8 O28 U4 -","4","1","","Vidjayacoumar, Balamurugan; Ilango, Sougandi; Ray, Matthew J.; Chu, Terry; Kolpin, Kristopher B.; Andreychuk, Nicholas R.; Cruz, Carlos A.; Emslie, David J. H.; Jenkins, Hilary A.; Britten, James F.","Rigid NON- and NSN-ligand complexes of tetravalent and trivalent uranium: comparison of U-OAr(2) and U-SAr(2) bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","26","8175","8189","10.1039/c2dt30247k","","","0.71073","MoKα","","0.0783","0.0453","","","0.0856","0.0972","","","","","","1.012","","","","has coordinates,has disorder","179897","2020-10-21","18:00:00",""
"7019397","9.246","0.003","10.331","0.003","18.694","0.005","90","","90","","90","","1785.7","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Bi Br5 N2 O2 -","- C8 H20 Bi Br5 N2 O2 -","- C32 H80 Bi4 Br20 N8 O8 -","4","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard; Miniewicz, Andrzej","[NH(2)(C(2)H(4))(2)O]MX(5): a new family of morpholinium nonlinear optical materials among halogenoantimonate(iii) and halogenobismuthate(iii) compounds. Structural characterization, dielectric and piezoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7285","7294","10.1039/c2dt30291h","","","0.71073","MoKα","","0.0254","0.0205","","","0.0367","0.0372","","","","","","0.969","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019398","7.583","0.003","11.466","0.003","19.302","0.005","90","","90","","90","","1678.2","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Bi Cl5 N2 O2 -","- C8 H20 Bi Cl5 N2 O2 -","- C32 H80 Bi4 Cl20 N8 O8 -","4","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard; Miniewicz, Andrzej","[NH(2)(C(2)H(4))(2)O]MX(5): a new family of morpholinium nonlinear optical materials among halogenoantimonate(iii) and halogenobismuthate(iii) compounds. Structural characterization, dielectric and piezoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7285","7294","10.1039/c2dt30291h","","","0.71073","MoKα","","0.0149","0.0141","","","0.032","0.0321","","","","","","1.028","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019399","9.274","0.003","10.325","0.003","18.472","0.005","90","","90","","90","","1768.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Br5 N2 O2 Sb -","- C8 H20 Br5 N2 O2 Sb -","- C32 H80 Br20 N8 O8 Sb4 -","4","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard; Miniewicz, Andrzej","[NH(2)(C(2)H(4))(2)O]MX(5): a new family of morpholinium nonlinear optical materials among halogenoantimonate(iii) and halogenobismuthate(iii) compounds. Structural characterization, dielectric and piezoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7285","7294","10.1039/c2dt30291h","","","0.71073","MoKα","","0.0224","0.0173","","","0.0273","0.0278","","","","","","0.919","","","","has coordinates","179897","2020-10-21","18:00:00",""
"7019400","9.026","0.003","10.12","0.003","17.806","0.005","90","","90","","90","","1626.5","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Cl5 N2 O2 Sb -","- C8 H20 Cl5 N2 O2 Sb -","- C32 H80 Cl20 N8 O8 Sb4 -","4","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard; Miniewicz, Andrzej","[NH(2)(C(2)H(4))(2)O]MX(5): a new family of morpholinium nonlinear optical materials among halogenoantimonate(iii) and halogenobismuthate(iii) compounds. Structural characterization, dielectric and piezoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","24","7285","7294","10.1039/c2dt30291h","","","0.71073","MoKα","","0.0174","0.0166","","","0.0388","0.039","","","","","","1.053","","","","has coordinates","179898","2020-10-21","18:00:00",""
"7019508","11.706","0.004","15.947","0.005","16.887","0.006","90","","90","","90","","3152.4","1.8","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Br3 Cl3 N4 Pd -","- C25 H30 Br3 Cl3 N4 Pd -","- C100 H120 Br12 Cl12 N16 Pd4 -","4","1","","Bernhammer, Jan Christopher; Huynh, Han Vinh","Correlation of spectroscopically determined ligand donor strength and nucleophilicity of substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8600","8608","10.1039/c2dt30526g","","","0.71073","MoKα","","0.0953","0.0538","","","0.1173","0.1337","","","","","","0.943","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019509","11.741","0.002","15.964","0.003","16.643","0.003","90","","90","","90","","3119.5","1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Br2 Cl3 I N4 Pd -","- C25 H30 Br2 Cl3 I N4 Pd -","- C100 H120 Br8 Cl12 I4 N16 Pd4 -","4","1","","Bernhammer, Jan Christopher; Huynh, Han Vinh","Correlation of spectroscopically determined ligand donor strength and nucleophilicity of substituted pyrazoles.","Dalton transactions (Cambridge, England : 2003)","2012","41","28","8600","8608","10.1039/c2dt30526g","","","0.71073","MoKα","","0.0392","0.036","","","0.093","0.0945","","","","","","1.068","","","","has coordinates","179899","2020-10-21","18:00:00",""
"7019606","9.8167","0.0017","13.747","0.003","20.447","0.004","90","","90","","90","","2759.3","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Cl Ir N4 -","- C28 H24 Cl Ir N4 -","- C112 H96 Cl4 Ir4 N16 -","4","1","","Mastropietro, Teresa F.; Yadav, Yogesh J.; Szerb, Elisabeta I.; Talarico, Anna Maria; Ghedini, Mauro; Crispini, Alessandra","Luminescence mechanochromism in cyclometallated Ir(iii) complexes containing picolylamine.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8899","8907","10.1039/c2dt30699a","","","0.71073","MoKα","","0.0487","0.0429","","","0.1017","0.1055","","","","","","0.859","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019628","13.0545","0.0001","17.3817","0.0002","23.3892","0.0003","90","","90","","90","","5307.23","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H75 N3 O3 Os -","- C60 H75 N3 O3 Os -","- C240 H300 N12 O12 Os4 -","4","1","","Das, Atanu Kumar; Hübner, Ralph; Sarkar, Biprajit; Fiedler, Jan; Záliš, Stanislav; Lahiri, Goutam Kumar; Kaim, Wolfgang","UV-vis-NIR and EPR characterisation of the redox series [MQ(3)](2+,+,0,-,2-), M = Ru or Os, and Q = o-quinone derivative.","Dalton transactions (Cambridge, England : 2003)","2012","41","29","8913","8921","10.1039/c2dt30846k","","","0.71073","MoKα","","0.0325","0.0271","","","0.0522","0.0538","","","","","","1.019","","","","has coordinates","179900","2020-10-21","18:00:00",""
"7019785","12.1208","0.0005","14.9206","0.0006","22.2574","0.0008","90","","90","","90","","4025.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H40 Cl2 N P2 Ru -","- C49 H40 Cl2 N P2 Ru -","- C196 H160 Cl8 N4 P8 Ru4 -","4","1","","Brown, Christopher C.; Stephan, Douglas W.","Rearrangements of phosphinoimines to phosphine-imines in ruthenium chelate complexes.","Dalton transactions (Cambridge, England : 2003)","2012","41","31","9431","9438","10.1039/c2dt30505d","","","0.71073","MoKα","","0.0414","0.0321","","","0.0612","0.064","","","","","","1.025","","","","has coordinates","179901","2020-10-21","18:00:00",""
"7019842","10.2282","0.0008","20.2161","0.0015","21.3805","0.0016","90","","90","","90","","4420.9","0.6","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H62 La N3 O2 Si2 -","- C44 H62 La N3 O2 Si2 -","- C176 H248 La4 N12 O8 Si8 -","4","1","","Sun, Yilin; Wu, Guangming; Cen, Dinghai; Chen, Yaofeng; Wang, Limin","Synthesis and catalytic activity of heterogeneous rare-earth metal catalysts coordinated with multitopic Schiff-base ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9682","9688","10.1039/c2dt30763d","","","0.71073","MoKα","","0.028","0.025","","","0.0617","0.0637","","","","","","1.039","","","","has coordinates","179902","2020-10-21","18:00:00",""
"7019890","8.2904","0.0003","16.5876","0.0005","18.3294","0.0008","90","","90","","90","","2520.62","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 Cd N2 O6 -","- C29 H22 Cd N2 O6 -","- C116 H88 Cd4 N8 O24 -","4","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.045","0.0362","","","0.076","0.0816","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019894","7.2789","0.0002","16.8823","0.0005","23.55","0.0008","90","","90","","90","","2893.93","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 Cd N4 O6 -","- C31 H28 Cd N4 O6 -","- C124 H112 Cd4 N16 O24 -","4","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.0412","0.0367","","","0.075","0.0771","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019895","7.2883","0.0003","16.8613","0.0008","23.529","0.0011","90","","90","","90","","2891.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cd N6 O6 -","- C29 H26 Cd N6 O6 -","- C116 H104 Cd4 N24 O24 -","4","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.0562","0.0481","","","0.1102","0.1162","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019896","7.2266","0.0002","15.458","0.0004","24.9598","0.0005","90","","90","","90","","2788.23","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Cd N4 O6 -","- C29 H32 Cd N4 O6 -","- C116 H128 Cd4 N16 O24 -","4","1","","He, Wei-Wei; Yang, Jin; Yang, Yan; Liu, Ying-Ying; Ma, Jian-Fang","A series of chiral coordination polymers containing helicals assembled from a new chiral (R)-2-(4'-(4''-carboxybenzyloxy)phenoxy)propanoic acid: syntheses, structures and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","32","9737","9747","10.1039/c2dt30863k","","","0.71073","MoKα","","0.0459","0.0369","","","0.0723","0.0756","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7019954","8.8565","0.0002","12.1571","0.0003","13.2983","0.0003","90","","90","","90","","1431.82","0.06","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl3 N O Te -","- C11 H12 Cl3 N O Te -","- C44 H48 Cl12 N4 O4 Te4 -","4","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Isolation and molecular structures of novel organotellurium(iv) halides, oxyhalide and mixed halide.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10707","10714","10.1039/c2dt30645j","","","0.71073","MoKα","","0.0329","0.0264","","","0.0484","0.0497","","","","","","0.967","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019955","7.5355","0.0003","12.8672","0.0004","15.3557","0.0005","90","","90","","90","","1488.9","0.09","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Br3 N O Te -","- C11 H12 Br3 N O Te -","- C44 H48 Br12 N4 O4 Te4 -","4","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Isolation and molecular structures of novel organotellurium(iv) halides, oxyhalide and mixed halide.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10707","10714","10.1039/c2dt30645j","","","0.71073","MoKα","","0.092","0.0582","","","0.0964","0.106","","","","","","1.041","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019956","7.791","0.0001","13.6338","0.0002","15.5148","0.0002","90","","90","","90","","1648","0.04","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 I3 N O Te -","- C11 H12 I3 N O Te -","- C44 H48 I12 N4 O4 Te4 -","4","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Isolation and molecular structures of novel organotellurium(iv) halides, oxyhalide and mixed halide.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10707","10714","10.1039/c2dt30645j","","","0.71073","MoKα","","0.0319","0.0248","","","0.0447","0.0459","","","","","","1.019","","","","has coordinates","179903","2020-10-21","18:00:00",""
"7019982","11.8673","0.0006","11.8673","0.0006","18.2622","0.0018","90","","90","","90","","2571.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Co N4 O8 -","- C26 H26 Co N4 O8 -","- C104 H104 Co4 N16 O32 -","4","1","","Wang, Xiu-Li; Mu, Bao; Lin, Hong-Yan; Yang, Song; Liu, Guo-Cheng; Tian, Ai-Xiang; Zhang, Ju-Wen","Assembly and properties of transition-metal coordination polymers based on semi-rigid bis-pyridyl-bis-amide ligand: effect of polycarboxylates on the dimensionality.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11074","11084","10.1039/c2dt30907f","","","0.71073","MoKα","","0.0337","0.0272","","","0.0497","0.051","","","","","","0.942","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020058","15.106","0.004","15.498","0.004","22.757","0.006","90","","90","","90","","5328","2","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H54 F6 N4 O12 S2 Sn2 -","- C50 H54 F6 N4 O12 S2 Sn2 -","- C200 H216 F24 N16 O48 S8 Sn8 -","4","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.0672","0.062","","","0.1746","0.1776","","","","","","1.079","","","","has coordinates","179904","2020-10-21","18:00:00",""
"7020062","14.9107","0.0012","15.3498","0.0012","23.7808","0.0018","90","","90","","90","","5442.9","0.7","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H58 F6 Ge2 N4 O12 S2 -","- C52 H58 F6 Ge2 N4 O12 S2 -","- C208 H232 F24 Ge8 N16 O48 S8 -","4","1","","Arii, Hidekazu; Matsuo, Mizuho; Nakadate, Fumiya; Mochida, Kunio; Kawashima, Takayuki","Coordination of a chiral tin(ii) cation bearing a bis(oxazoline) ligand with tetrahydrofuran derivatives.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","11195","11200","10.1039/c2dt31187a","","","0.71073","MoKα","","0.0737","0.0626","","","0.1666","0.1736","","","","","","1.067","","","","has coordinates,has disorder","179904","2020-10-21","18:00:00",""
"7020092","9.0492","0.0002","14.0508","0.0004","15.8272","0.0005","90","","90","","90","","2012.4","0.1","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N Si Zr -","- C20 H29 N Si Zr -","- C80 H116 N4 Si4 Zr4 -","4","1","","Podiyanachari, Santhosh Kumar; Fröhlich, Roland; Daniliuc, Constantin G.; Petersen, Jeffrey L.; Kehr, Gerald; Erker, Gerhard; Suzuki, Noriyuki; Yuasa, Shin; Hagimori, Keita; Inoue, Shota; Asada, Takumi; Takemoto, Takahiko; Masuyama, Yoshiro","Facile formation of five-membered N-heterocyclic zirconacycloallenoids.","Dalton transactions (Cambridge, England : 2003)","2012","41","35","10811","10816","10.1039/c2dt31343j","","","0.71073","MoKα","","0.0762","0.0679","","","0.1735","0.1829","","","","","","1.086","","","","has coordinates","287926","2023-12-01","07:54:24",""
"7020160","9.132","0.0006","13.584","0.0009","16.711","0.001","90","","90","","90","","2073","0.2","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 Cl2 Co N5 O10 -","- C13 H24 Cl2 Co N5 O10 -","- C52 H96 Cl8 Co4 N20 O40 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.0459","0.0425","","","0.1219","0.1264","","","","","","1.048","","","","has coordinates","179905","2020-10-21","18:00:00",""
"7020162","10.139","0.002","14.37","0.003","15.118","0.003","90","","90","","90","","2202.7","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Cl1.4 Co I0.6 N4 O7.6 -","- C16 H27 Cl1.4 Co I0.6 N4 O7.6 -","- C64 H108 Cl5.6 Co4 I2.4 N16 O30.4 -","4","1","","Bonnitcha, Paul D.; Kim, Byung J.; Hocking, Rosalie K.; Clegg, Jack K.; Turner, Peter; Neville, Suzanne M.; Hambley, Trevor W.","Cobalt complexes with tripodal ligands: implications for the design of drug chaperones.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11293","11304","10.1039/c2dt30727h","","","0.71073","MoKα","","0.0362","0.0308","","","0.0756","0.0777","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020175","10.9914","0.0011","26.259","0.003","32.326","0.004","90","","90","","90","","9330","1.8","173","2","173","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C79 H67 Cl3 F12 Ir2 N8 O7 P2 S2 -","- C79 H61 Cl3 F12 Ir2 N8 O7 P2 S2 -","- C316 H244 Cl12 F48 Ir8 N32 O28 P8 S8 -","4","1","","Bouamaied, Imenne; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Stereochemistry controlled by an asymmetric sulfur atom, and a rare example of a kryptoracemate.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10276","10285","10.1039/c2dt30892d","","","0.71073","MoKα","","0.0436","0.0393","","","0.1008","0.104","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7020205","6.5","0.004","10.79","0.005","12.442","0.008","90","","90","","90","","872.6","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tetrafluoro(trimethylphosphine oxide-O)tellurium(IV)","","- C3 H9 F4 O P Te -","- C3 H9 F4 O P Te -","- C12 H36 F16 O4 P4 Te4 -","4","1","","Hector, Andrew L.; Jolleys, Andrew; Levason, William; Reid, Gillian","TeX4 (X = F, Cl, Br) as Lewis acids‒complexes with soft thio- and seleno-ether ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","36","10988","10999","10.1039/c2dt30968h","","","0.71073","MoKα","","0.0143","0.0138","","","0.0335","0.0336","","","","","","1.018","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020299","11.7275","0.0012","16.8802","0.0018","20.134","0.002","90","","90","","90","","3985.8","0.7","100","","100","","","","","","","","Synthesized by the authors. See text","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 B10 Fe2 O4 P2 S2 -","- C36 H34 B10 Fe2 O4 P2 S2 -","- C144 H136 B40 Fe8 O16 P8 S8 -","4","1","","Karnahl, Michael; Tschierlei, Stefanie; Erdem, Özlen F; Pullen, Sonja; Santoni, Marie-Pierre; Reijerse, Edward J.; Lubitz, Wolfgang; Ott, Sascha","Mixed-valence [Fe(I)Fe(II)] hydrogenase active site model complexes stabilized by a bidentate carborane bis-phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12468","12477","10.1039/c2dt31192e","","","0.71073","MoKα","","0.1064","0.0497","","","0.0945","0.1056","","","","","","0.775","","","","has coordinates","179906","2020-10-21","18:00:00",""
"7020310","6.9319","0.0011","11.2138","0.0016","13.945","0.002","90","","90","","90","","1084","0.3","180","2","180","","","","","","","","synthesis as described","2","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 -","- C15 H16 -","- C60 H64 -","4","1","","Borowski, Andrzej F.; Vendier, Laure; Sabo-Etienne, Sylviane; Rozycka-Sokolowska, Ewa; Gaudyn, Alicja V.","Catalyzed hydrogenation of condensed three-ring arenes and their N-heteroaromatic analogues by a bis(dihydrogen) ruthenium complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14117","14125","10.1039/c2dt31205k","","","0.71073","MoKα","","0.0542","0.0449","","","0.1208","0.1257","","","","","","1.018","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020343","19.751","0.004","27.554","0.006","49.47","0.01","90","","90","","90","","26923","10","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Cr7Ni(Etglu)F3Piv15]2(PyPz)","","","- C179 H315 Cl10 Cr14 F6 N5 Ni2 O70 -","- C179 H315 Cl10 Cr14 F6 N5 Ni2 O70 -","- C716 H1260 Cl40 Cr56 F24 N20 Ni8 O280 -","4","1","","Faust, Thomas B.; Tuna, Floriana; Timco, Grigore A.; Affronte, Marco; Bellini, Valerio; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.","Controlling magnetic communication through aromatic bridges by variation in torsion angle.","Dalton transactions (Cambridge, England : 2003)","2012","41","44","13626","13631","10.1039/c2dt31292a","","","0.71073","MoKα","","0.1493","0.1214","","","0.3155","0.3767","","","","","","1.337","","","","has coordinates","179907","2020-10-21","18:00:00",""
"7020373","18.5204","0.0003","27.2996","0.0005","29.4421","0.0004","90","","90","","90","","14885.9","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C104 H98 B8 F32 Fe4 N52 O3.5 -","- C104 H98 B8 F32 Fe4 N52 O3.5 -","- C416 H392 B32 F128 Fe16 N208 O14 -","4","1","","Stefankiewicz, Artur R.; Rogez, Guillaume; Harrowfield, Jack; Sobolev, Alexandre N.; Madalan, Augustin; Huuskonen, Juhani; Rissanen, Kari; Lehn, Jean-Marie","Self-ordering of metallogrid complexes via directed hydrogen-bonding.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13848","13855","10.1039/c2dt31384g","","","0.71073","MoKα","","0.1674","0.0923","","","0.2181","0.2546","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020502","4.7869","0.0001","9.0674","0.0003","9.655","0.0003","90","","90","","90","","419.07","0.02","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ba Co F O4 P -","- Ba Co F O4 P -","- Ba4 Co4 F4 O16 P4 -","4","1","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Cobalt(ii) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2012","41","46","14180","14187","10.1039/c2dt31734f","","","0.71073","MoKα","","0.0204","0.0202","","","0.0425","0.0428","","","","","","0.926","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020535","5.083","0.0002","8.1957","0.0004","24.4759","0.0012","90","","90","","90","","1019.64","0.08","113","2","113","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","","Thompson, John R.; Archer, Rosanna J.; Hawes, Chris S.; Ferguson, Alan; Wattiaux, Alain; Mathonière, Corine; Clérac, Rodolphe; Kruger, Paul E.","Thermally and photo-induced spin crossover behaviour in an Fe(ii) imidazolylimine complex: [FeL(3)](ClO(4))(2).","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12720","12725","10.1039/c2dt31776a","","","0.71073","MoKα","","0.0497","0.0464","","","0.1212","0.1232","","","","","","1.148","","","","has coordinates","179909","2020-10-21","18:00:00",""
"7020599","8.5225","0.0009","14.1788","0.0016","22.958","0.003","90","","90","","90","","2774.2","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl3 F Ir N O -","- C27 H30 Cl3 F Ir N O -","- C108 H120 Cl12 F4 Ir4 N4 O4 -","4","1","","Lucas, Stephanie J.; Lord, Rianne M.; Wilson, Rachel L.; Phillips, Roger M.; Sridharan, Visuvanathar; McGowan, Patrick C.","Synthesis of iridium and ruthenium complexes with (N,N), (N,O) and (O,O) coordinating bidentate ligands as potential anti-cancer agents.","Dalton transactions (Cambridge, England : 2003)","2012","41","45","13800","13802","10.1039/c2dt32104a","","","0.71073","MoKα","","0.034","0.0281","","","0.0697","0.0722","","","","","","1.033","","","","has coordinates,has disorder","179909","2020-10-21","18:00:00",""
"7020679","12.5211","0.0004","23.704","0.0008","33.0267","0.0011","90","","90","","90","","9802.3","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H42 P2 Pt S8 -","- C48 H42 P2 Pt S8 -","- C384 H336 P16 Pt8 S64 -","8","2","","Vacher, Antoine; Barrière, Frédéric; Camerel, Franck; Bergamini, Jean-François; Roisnel, Thierry; Lorcy, Dominique","Cis and trans-bis(tetrathiafulvalene-acetylide) platinum(II) complexes: syntheses, crystal structures, and influence of the ancillary ligands on their electronic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","383","394","10.1039/c2dt31686b","","x-ray","0.71073","MoKα","","0.0621","0.0433","","","0.0905","0.0959","","","","","","1.001","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020685","9.313","0.003","11.947","0.004","19.736","0.007","90","","90","","90","","2195.9","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Diaqua-1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane-calcium diiodide","Diaqua-1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane-calcium diiodide","","- C12 H28 Ca I2 O6 S2 -","- C12 H26 Ca I2 O6 S2 -","- C48 H104 Ca4 I8 O24 S8 -","4","1","","Farina, Paolo; Levason, William; Reid, Gillian","s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","89","99","10.1039/c2dt31692g","","","0.71073","MoKα","","0.1102","0.0517","","","0.0679","0.078","","","","","","0.915","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020776","9.005","0.003","11.305","0.004","32.513","0.011","90","","90","","90","","3310","2","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H57 O P -","- C36 H57 O P -","- C144 H228 O4 P4 -","4","1","","Fleming, Conor G. E.; Slawin, Alexandra M. Z.; Athukorala Arachchige, Kasun S.; Randall, Rebecca; Bühl, Michael; Kilian, Petr","Synthetic and computational study of geminally bis(supermesityl) substituted phosphorus compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1437","1450","10.1039/c2dt31971c","","","0.71075","MoKα","","","0.1657","","","","0.4747","","","","","","1.203","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020820","13.0426","0.0003","13.2471","0.0004","26.9972","0.0007","90","","90","","90","","4664.5","0.2","150","1","150","1","","","","","","","synthesized by the authors","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H69 Co4 Li2 N6 O33.5 P6 -","- C12 H64 Co4 Li2 N6 O33.5 P6 -","- C48 H256 Co16 Li8 N24 O134 P24 -","4","1","","David, Tomáš; Procházková, Soňa; Havlíčková, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr; Lukeš, Ivan","Methylene-bis[(aminomethyl)phosphinic acids]: synthesis, acid-base and coordination properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2414","2422","10.1039/c2dt32045b","","","0.71073","MoKα","","0.0331","0.0293","","","0.0721","0.0737","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020824","5.5236","0.0001","23.2071","0.0005","27.1572","0.0006","90","","90","","90","","3481.19","0.12","298","","298","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H34 Cl0 Mn N2 O8 P2 -","- C37 H34 Mn N2 O8 P2 -","- C148 H136 Mn4 N8 O32 P8 -","4","1","","Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti","Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2094","2106","10.1039/c2dt32057f","","","0.71073","MoKα","","0.0412","0.033","","","0.0819","0.0916","","","","","","1.083","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020857","10.45548","0.00019","18.3525","0.0003","22.3689","0.0004","90","","90","","90","","4292.24","0.13","108.1","","108.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 N O9 S4 Si W -","- C36 H48 N O9 S4 Si W -","- C144 H192 N4 O36 S16 Si4 W4 -","4","1","","Sugimoto, Hideki; Hatakeda, Kohei; Toyota, Kazuo; Tatemoto, Susumu; Kubo, Minoru; Ogura, Takashi; Itoh, Shinobu","A new series of bis(ene-1,2-dithiolato)tungsten(iv), -(v), -(vi) complexes as reaction centre models of tungsten enzymes: Preparation, crystal structures and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","9","3059","3070","10.1039/c2dt32179c","","","0.71075","MoKα","","","0.028","","","","0.0671","","","","","","0.981","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020893","9.767","0.0004","14.255","0.0005","25.9891","0.0015","90","","90","","90","","3618.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H44 N4 O4 S2 -","- C39 H44 N4 O4 S2 -","- C156 H176 N16 O16 S8 -","4","1","","Castano, Brunilde; Guidone, Stefano; Gallo, Emma; Ragaini, Fabio; Casati, Nicola; Macchi, Piero; Sisti, Massimo; Caselli, Alessandro","Asymmetric cyclopropanation of olefins catalysed by Cu(i) complexes of chiral pyridine-containing macrocyclic ligands (Pc-L*).","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2451","2462","10.1039/c2dt32347h","","","0.71073","MoKα","","0.1506","0.068","","","0.0694","0.09","","","","","","0.999","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020894","11.7359","0.0002","14.7577","0.0002","23.1185","0.0003","90","","90","","90","","4004.01","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 N4 O4 S2 -","- C43 H52 N4 O4 S2 -","- C172 H208 N16 O16 S8 -","4","1","","Castano, Brunilde; Guidone, Stefano; Gallo, Emma; Ragaini, Fabio; Casati, Nicola; Macchi, Piero; Sisti, Massimo; Caselli, Alessandro","Asymmetric cyclopropanation of olefins catalysed by Cu(i) complexes of chiral pyridine-containing macrocyclic ligands (Pc-L*).","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2451","2462","10.1039/c2dt32347h","","","0.71073","MoKα","","0.0848","0.0498","","","0.088","0.101","","","","","","1.039","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020895","11.1014","0.0006","12.1313","0.0007","29.7535","0.0017","90","","90","","90","","4007","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 F3 N4 O7 S3 -","- C38 H41 F3 N4 O7 S3 -","- C152 H164 F12 N16 O28 S12 -","4","1","","Castano, Brunilde; Guidone, Stefano; Gallo, Emma; Ragaini, Fabio; Casati, Nicola; Macchi, Piero; Sisti, Massimo; Caselli, Alessandro","Asymmetric cyclopropanation of olefins catalysed by Cu(i) complexes of chiral pyridine-containing macrocyclic ligands (Pc-L*).","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2451","2462","10.1039/c2dt32347h","","","0.71069","MoKα","","0.1016","0.0728","","","0.2067","0.2337","","","","","","0.998","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020919","8.7423","0.0002","9.3366","0.0003","24.9336","0.0008","90","","90","","90","","2035.16","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(Sp)-2-(diphenylphosphino)ferrocenyl]methanol‒borane (1/1)","","- C23 H24 B Fe O P -","- C23 H24 B Fe O P -","- C92 H96 B4 Fe4 O4 P4 -","4","1","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.0429","0.0344","","","0.0692","0.0729","","","","","","1.047","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7020929","6.4488","0.0003","7.7891","0.0004","39.978","0.002","90","","90","","90","","2008.11","0.17","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 Fe O P -","- C23 H31 Fe O P -","- C92 H124 Fe4 O4 P4 -","4","1","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.0788","0.0446","","","0.0905","0.1052","","","","","","1.005","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020930","6.3769","0.0001","7.9364","0.0002","39.9711","0.0008","90","","90","","90","","2022.92","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Br Fe P -","- C22 H30 Br Fe P -","- C88 H120 Br4 Fe4 P4 -","4","1","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.053","0.044","","","0.1118","0.116","","","","","","1.116","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020985","9.9928","0.0005","17.3371","0.0011","17.7642","0.0009","90","","90","","90","","3077.6","0.3","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 3","","","- C35 H35 N O10 Zn -","- C35 H35 N O10 Zn -","- C140 H140 N4 O40 Zn4 -","4","1","","Redshaw, Carl; Rowe, Oliver; Hughes, David L.; Fuller, Anna-Marie; Ibarra, Ilich A.; Humphrey, Simon M.","New structural motifs in lithium and zinc calix[4]arene chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1983","1986","10.1039/c2dt32986g","","","0.71073","Mo-Kα","","0.1226","0.0764","","","0.1134","0.1273","","","","","","1.019","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7021049","11.0143","0.0002","13.0922","0.0002","23.2592","0.0004","90","","90","","90","","3354.01","0.1","116","","116","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 Cl F6 O P2 Ru S -","- C33 H39 Cl F6 O P2 Ru S -","- C132 H156 Cl4 F24 O4 P8 Ru4 S4 -","4","1","","Ludwig, Gerd; Kaluđerović, Goran N; Rüffer, Tobias; Bette, Martin; Korb, Marcus; Block, Michael; Paschke, Reinhard; Lang, Heinrich; Steinborn, Dirk","Cationic arene ruthenium(ii) complexes with chelating P-functionalized alkyl phenyl sulfide and sulfoxide ligands as potent anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3771","3774","10.1039/c3dt33064h","","","1.54184","CuKα","","0.04","0.0377","","","0.0898","0.0905","","","","","","1.013","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021117","6.3608","0.0004","9.9793","0.0007","16.0433","0.0011","90","","90","","90","","1018.37","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 Cl4 N O2 W -","- C3 H7 Cl4 N O2 W -","- C12 H28 Cl16 N4 O8 W4 -","4","1","","Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A crystallographic and spectroscopic study on the reactions of WCl6 with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5635","5648","10.1039/c2dt32771f","","","0.71073","MoKα","","0.0174","0.0166","","","0.0383","0.0386","","","","","","1.058","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021124","7.0089","0.0005","13.0334","0.0012","18.072","0.002","90","","90","","90","","1650.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Br N2 -","- C14 H28 Br N2 -","- C56 H112 Br4 N8 -","4","1","","Dunsford, Jay J.; Tromp, Dorette S.; Cavell, Kingsley J.; Elsevier, Cornelis J.; Kariuki, Benson M.","N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(i) and iridium(i): structural investigations and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7318","7329","10.1039/c2dt32823b","","","0.71073","MoKα","","0.1654","0.0559","","","0.1079","0.1178","","","","","","1.035","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021126","12.7651","0.0007","13.7447","0.0009","47.075","0.003","90","","90","","90","","8259.4","0.9","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H51 Cl2 N2 P Pd -","- C45 H51 Cl2 N2 P Pd -","- C360 H408 Cl16 N16 P8 Pd8 -","8","2","","Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7345","7353","10.1039/c2dt32858e","","","0.71073","MoKα","","0.0587","0.0546","","","0.1194","0.1221","","","","","","1.046","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021143","13.8039","0.0017","14.5782","0.0016","22.466","0.003","90","","90","","90","","4521","1","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H36 F6 N2 O4 P2 Pd S2 -","- C48 H36 F6 N2 O4 P2 Pd S2 -","- C192 H144 F24 N8 O16 P8 Pd4 S8 -","4","1","","Cai, Yudong; Shi, Yian","Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5232","5236","10.1039/c3dt00007a","","","0.71073","MoKα","","0.0479","0.0449","","","0.0889","0.0914","","","","","","1.078","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021145","12.5186","0.0013","17.3401","0.0018","20.879","0.002","90","","90","","90","","4532.3","0.8","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H50 Cl2 Fe O4 P2 Pd Si -","- C45 H50 Cl2 Fe O4 P2 Pd Si -","- C180 H200 Cl8 Fe4 O16 P8 Pd4 Si4 -","4","1","","Cai, Yudong; Shi, Yian","Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5232","5236","10.1039/c3dt00007a","","","0.71073","MoKα","","0.0449","0.0423","","","0.0921","0.0944","","","","","","1.065","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021149","9.8418","0.0015","11.4447","0.0018","24.284","0.004","90","","90","","90","","2735.3","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 Cl3 N2 O2 Pd -","- C27 H37 Cl3 N2 O2 Pd -","- C108 H148 Cl12 N8 O8 Pd4 -","4","1","","Cai, Yudong; Shi, Yian","Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5232","5236","10.1039/c3dt00007a","","","0.71073","MoKα","","0.059","0.0514","","","0.0919","0.0951","","","","","","1.138","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021150","14.3379","0.0005","14.9255","0.0005","37.3985","0.0013","90","","90","","90","","8003.3","0.5","173","2","173","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C78.5 H73 Cl F12 N10 O4 P2 Ru2 S2 -","- C78.5 H73 Cl1.01 F12 N10 O4 P2 Ru2 S2 -","- C314 H292 Cl4.04 F48 N40 O16 P8 Ru8 S8 -","4","1","","Chen, Liang-An; Ding, Xiaobing; Gong, Lei; Meggers, Eric","Thioether-based anchimeric assistance for asymmetric coordination chemistry with ruthenium(ii) and osmium(ii).","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5623","5626","10.1039/c3dt00015j","","","0.71073","MoKα","","0.0986","0.0666","","","0.1047","0.1155","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021151","9.4352","0.0019","19.433","0.004","25.513","0.005","90","","90","","90","","4677.9","1.6","163","2","163","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H52 B N5 O2 Os S -","- C57 H52 B N5 O2 Os S -","- C228 H208 B4 N20 O8 Os4 S4 -","4","1","","Chen, Liang-An; Ding, Xiaobing; Gong, Lei; Meggers, Eric","Thioether-based anchimeric assistance for asymmetric coordination chemistry with ruthenium(ii) and osmium(ii).","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5623","5626","10.1039/c3dt00015j","","","0.71073","MoKα","","0.0398","0.0363","","","0.0777","0.0788","","","","","","1.001","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021169","10.0881","0.0006","12.1859","0.0006","13.5748","0.0006","90","","90","","90","","1668.79","0.15","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Cl N2 O Pt -","- C15 H25 Cl N2 O Pt -","- C60 H100 Cl4 N8 O4 Pt4 -","4","1","","Barone, Carmen R.; Coletti, Cecilia; McQuitty, Ruth J.; Farrer, Nicola J.; Lorusso, Giuseppe; Maresca, Luciana; Marrone, Alessandro; Natile, Giovanni; Pacifico, Concetta; Parsons, Simon; Re, Nazzareno; Sadler, Peter J.; White, Fraser J.","Photo-isomerisation of alkenyl complexes of platinum(ii): structural, spectroscopic, kinetic and computational investigations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6840","6851","10.1039/c3dt32354d","","","0.71073","MoKα","","0.019","0.0177","","","0.0384","0.0386","","","","","","1.005","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021183","17.069","0.003","26.593","0.004","26.75","0.005","90","","90","","90","","12142","4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H115 Cl6 Gd5 N18 Ni12 O95 -","- C48 H78 Gd5 N18 Ni12 O60 -","- C192 H312 Gd20 N72 Ni48 O240 -","4","1","","Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","New 3d-4f heterometallic clusters built from mixed glycine and iminodiacetate acid: dioctahedron {La2Ni9} and onion-like {Gd5}⊂{Ni12} with interesting magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5711","5717","10.1039/c3dt32752c","","","0.71073","MoKα","","0.0525","0.0449","","","0.0996","0.1029","","","","","","0.997","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021277","7.00453","0.00014","8.1315","0.00015","24.114","0.0004","90","","90","","90","","1373.47","0.04","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cr N O3 -","- C15 H11 Cr N O3 -","- C60 H44 Cr4 N4 O12 -","4","1","","Fuchter, Matthew J.; Judge, Dilraj K.; Weimar, Marko; White, Andrew J. P.","Stoichiometric C-H arylation of tricarbonyl(arene)chromium complexes bearing pyridine directing groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5615","5618","10.1039/c3dt50187f","","","0.71073","MoKα","","0.033","0.0295","","","0.0692","0.0706","","","","","","1.092","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021309","9.3945","0.0002","19.2373","0.0005","23.8082","0.0005","90","","90","","90","","4302.73","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 Cl3 Ir O3 P -","- C49 H39 Cl Ir O3 P -","- C196 H156 Cl4 Ir4 O12 P4 -","4","1","","Ficks, Arne; Harrington, Ross W.; Higham, Lee J.","Chiral MOP-phosphonite ligands: synthesis, characterisation and interconversion of η(1),η(6)-(σ-P, π-arene) chelated rhodium(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6302","6305","10.1039/c3dt50482d","","","0.71073","MoKα","","0.0234","0.0218","","","0.0562","0.0573","","","","","","1.075","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021310","9.5919","0.0003","19.2348","0.0005","23.6141","0.0006","90","","90","","90","","4356.8","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H49 Cl O4 P Rh -","- C53 H49 Cl O4 P Rh -","- C212 H196 Cl4 O16 P4 Rh4 -","4","1","","Ficks, Arne; Harrington, Ross W.; Higham, Lee J.","Chiral MOP-phosphonite ligands: synthesis, characterisation and interconversion of η(1),η(6)-(σ-P, π-arene) chelated rhodium(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6302","6305","10.1039/c3dt50482d","","","0.71073","MoKα","","0.0388","0.033","","","0.0756","0.0794","","","","","","1.081","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021311","14.0434","0.0004","20.3321","0.0006","25.7605","0.0006","90","","90","","90","","7355.4","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C90 H74 B F4 O8 P2 Rh -","- C90 H74 B F4 O8 P2 Rh -","- C360 H296 B4 F16 O32 P8 Rh4 -","4","1","","Ficks, Arne; Harrington, Ross W.; Higham, Lee J.","Chiral MOP-phosphonite ligands: synthesis, characterisation and interconversion of η(1),η(6)-(σ-P, π-arene) chelated rhodium(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6302","6305","10.1039/c3dt50482d","","","1.54178","CuKα","","0.0461","0.0401","","","0.0986","0.1031","","","","","","1.027","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021321","5.3195","0.001","7.9352","0.0015","17.464","0.003","90","","90","","90","","737.2","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- B Cu2 H2 Li O10 P2 -","- B Cu2 H2 Li O10 P2 -","- B4 Cu8 H8 Li4 O40 P8 -","4","1","","Yang, Miao; Li, Xinjie; Yu, Jihong; Zhu, Jingran; Liu, Xiaoxia; Chen, Genfu; Yan, Yan","LiCu2[BP2O8(OH)2]: a chiral open-framework copper borophosphate via spontaneous asymmetrical crystallization.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6298","6301","10.1039/c3dt50591j","","","0.71073","MoKα","","0.0178","0.0172","","","0.0468","0.047","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021387","8.2848","0.0005","23.825","0.0013","13.0062","0.0008","90","","90","","90","","2567.2","0.3","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 Rh2 -","- C33 H40 Rh2 -","- C132 H160 Rh8 -","4","1","","Laï, Richard; Daran, Jean-Claude; Nuel, Didier; Sanz, Martial; Summerton, Nick; Vanthuyne, Nicolas; Zaragori-Benedetti, Anaïs","Synthesis and reactivity of a cyclopentadienyl-indenyl ligand ring-coupled by a chiral bridge derived from ethyl (S)-(-) lactate.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7980","7990","10.1039/c3dt33019b","","","0.71073","MoKα","","0.0758","0.0559","","","0.1068","0.1145","","","","","","1.047","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021422","7.3312","0.0007","13.9288","0.0012","19.6479","0.0019","90","","90","","90","","2006.3","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Ga N3 O6 -","- C20 H26 Ga N3 O6 -","- C80 H104 Ga4 N12 O24 -","4","1","","Parker, David; Waldron, Bradley P.; Yufit, Dmitry S.","Crystallographic and solution NMR structural analyses of four hexacoordinated gallium(iii) complexes based on ligands derived from 6-amino-perhydro-1,4-diazepine.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8001","8008","10.1039/c3dt50287b","","x-ray","1.54188","CuKα","","0.0533","0.0477","","","0.1195","0.1237","","","","","","1.086","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021424","15.7783","0.0007","22.34","0.0009","25.1607","0.0014","90","","90","","90","","8868.8","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H131 Co N13 O30 P -","- C73 H131 Co N13 O30 P -","- C292 H524 Co4 N52 O120 P4 -","4","1","","Perry, Christopher B.; Shin, Naree; Fernandes, Manuel A.; Marques, Helder M.","Phenylvinylcobalamin: an alkenylcobalamin featuring a ligand with a large trans influence.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7555","7561","10.1039/c3dt50336d","","","0.71073","MoKα","","0.1631","0.0954","","","0.2504","0.2898","","","","","","0.992","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021431","12.6054","0.0001","25.6456","0.0002","41.9115","0.0004","90","","90","","90","","13548.9","0.2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H70 Cl6 Fe2 N8 S6 Sn4 -","- C51 H70 Cl6 Fe2 N8 S6 Sn4 -","- C408 H560 Cl48 Fe16 N64 S48 Sn32 -","8","2","","You, Zhiliang; Fenske, Dieter; Dehnen, Stefanie","Modification of Sn/S cages with bis-functionalized ferrocenyl units.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8179","8182","10.1039/c3dt50386k","","","0.71073","MoKα","","0.0431","0.0396","","","0.1062","0.1081","","","","","","1.036","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021450","9.6725","0.0002","12.6028","0.0002","24.4563","0.0005","90","","90","","90","","2981.24","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","18-Crown-6-potassium triphenyl-tin","","","- C30 H39 K O6 Sn -","- C30 H39 K O6 Sn -","- C120 H156 K4 O24 Sn4 -","4","1","","Kleeberg, Christian","On the structural diversity of [K(18-crown-6)EPh3] complexes (E = C, Si, Ge, Sn, Pb): synthesis, crystal structures and NOESY NMR study.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8276","8287","10.1039/c3dt50523e","","","0.71073","MoKα","","0.0237","0.0208","","","0.0393","0.0403","","","","","","1.052","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021451","9.6839","0.0004","12.5929","0.0004","24.5776","0.0008","90","","90","","90","","2997.2","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","18-Crown-6-potassium triphenyl-lead","","","- C30 H39 K O6 Pb -","- C30 H39 K O6 Pb -","- C120 H156 K4 O24 Pb4 -","4","1","","Kleeberg, Christian","On the structural diversity of [K(18-crown-6)EPh3] complexes (E = C, Si, Ge, Sn, Pb): synthesis, crystal structures and NOESY NMR study.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8276","8287","10.1039/c3dt50523e","","","0.71073","MoKα","","0.0762","0.038","","","0.0599","0.0698","","","","","","1.016","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021465","9.0078","0.0018","9.5536","0.0019","31.245","0.006","90","","90","","90","","2688.8","0.9","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 N4 O2 Ru -","- C26 H30 Cl2 N4 O2 Ru -","- C104 H120 Cl8 N16 O8 Ru4 -","4","1","","Reiner, Thomas; Jantke, Dominik; Miao, Xiao-He; Marziale, Alexander N.; Kiefer, Florian J.; Eppinger, Jörg","Phenylalanine - a biogenic ligand with flexible η(6)- and η(6):κ(1)-coordination at ruthenium(ii) centres.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8692","8703","10.1039/c3dt50589h","","","0.71073","MoKα","","0.0342","0.0323","","","0.0951","0.0957","","","","","","1.184","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021535","11.8454","0.0004","21.7412","0.0008","23.3527","0.001","90","","90","","90","","6014.1","0.4","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H86 Cl2 Li2 N3 O4 Si2 Y -","- C56 H86 Cl2 Li2 N3 O4 Si2 Y -","- C224 H344 Cl8 Li8 N12 O16 Si8 Y4 -","4","1","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71073","MoKα","","0.1082","0.053","","","0.0808","0.0911","","","","","","0.995","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021536","11.752","0.003","21.587","0.005","23.405","0.005","90","","90","","90","","5938","2","223","2","223","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H86 Cl2 Li2 N3 O4 Si2 Yb -","- C56 H86 Cl2 Li2 N3 O4 Si2 Yb -","- C224 H344 Cl8 Li8 N12 O16 Si8 Yb4 -","4","1","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.097","0.0663","","","0.1576","0.1903","","","","","","1.084","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021546","16.4869","0.0002","17.6567","0.00017","18.6916","0.00019","90","","90","","90","","5441.2","0.1","293","","293","","","","","","","","see text","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cu F6 N2 O2 P3 -","- C58 H54 Cu F6 N2 O2 P3 -","- C232 H216 Cu4 F24 N8 O8 P12 -","4","1","","Czerwieniec, Rafał; Kowalski, Konrad; Yersin, Hartmut","Highly efficient thermally activated fluorescence of a new rigid Cu(i) complex [Cu(dmp)(phanephos)](+).","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9826","9830","10.1039/c3dt51006a","","x-ray","1.54184","CuKα","","0.0401","0.0387","","","0.1057","0.1075","","","","","","1.003","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021547","16.5204","0.0004","17.5982","0.0003","18.737","0.0003","90","","90","","90","","5447.39","0.18","297","","297","","","","","","","","see text","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cu F6 N2 O2 P3 -","- C58 H54 Cu F6 N2 O2 P3 -","- C232 H216 Cu4 F24 N8 O8 P12 -","4","1","","Czerwieniec, Rafał; Kowalski, Konrad; Yersin, Hartmut","Highly efficient thermally activated fluorescence of a new rigid Cu(i) complex [Cu(dmp)(phanephos)](+).","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9826","9830","10.1039/c3dt51006a","","x-ray","1.54184","CuKα","","0.0526","0.0457","","","0.119","0.1275","","","","","","1.026","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021553","14.3095","0.0013","15.5198","0.0012","22.333","0.002","90","","90","","90","","4959.7","0.7","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C16.5 H38 Cl2.5 F3 N O2 P2.5 Ru -","- C16.5 H38 Cl2.5 F3 N O2 P2.5 Ru -","- C132 H304 Cl20 F24 N8 O16 P20 Ru8 -","8","2","","Sgro, Michael J.; Stephan, Douglas W.","Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10460","10472","10.1039/c3dt51065d","","","0.71073","MoKα","","0.0351","0.0298","","","0.0654","0.0677","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021568","8.795","0.0018","17.516","0.004","20.637","0.004","90","","90","","90","","3179.2","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cd2 K2 O35 Ru4 -","- C8 H16 Cd2 K2 O35 Ru4 -","- C32 H64 Cd8 K8 O140 Ru16 -","4","1","","Liu, Bin; Jia, Yan-Yan; Jin, Jin; Liu, Xue-Mei; Wang, Dan; Xue, Gang-Lin","Cadmium diruthenium(ii,iii) carbonates showing diverse magnetism behavior arising from variety configuration of [Ru2(CO3)4]n(3n-) layer.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10208","10213","10.1039/c3dt51143j","","","0.71073","MoKα","","0.0738","0.0579","","","0.1125","0.1187","","","","","","1.074","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021596","8.4408","0.0015","12.349","0.002","30.17","0.005","90","","90","","90","","3144.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 Cl2 N Si Zr -","- C31 H45 Cl2 N Si Zr -","- C124 H180 Cl8 N4 Si4 Zr4 -","4","1","","Chai, Jianfang; Abboud, Khalil A.; Miller, Stephen A.","Sterically expanded CGC catalysts: substituent effects on ethylene and α-olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9139","9147","10.1039/c3dt50163a","","","0.71073","MoKα","","0.0249","0.0224","","","0.0535","0.0547","","","","","","1.043","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021601","7.8882","0.0006","18.516","0.0014","19.4084","0.0016","90","","90","","90","","2834.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N2 Ni O2 -","- C29 H38 N2 Ni O2 -","- C116 H152 N8 Ni4 O8 -","4","1","","Barwiolek, M.; Szlyk, E.; Surdykowski, A.; Wojtczak, A.","New nickel(ii) and copper(ii) complexes with unsymmetrical Schiff bases derived from (1R,2R)(-)cyclohexanediamine and the application of Cu(ii) complexes for hybrid thin layers deposition.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11476","11487","10.1039/c3dt50213a","","","0.71073","MoKα","","0.2013","0.0488","","","0.0437","0.0575","","","","","","0.713","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7021621","8.7422","0.0002","8.7459","0.0002","32.5645","0.0007","90","","90","","90","","2489.83","0.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl2 Cu N5 O3 -","- C23 H21 Cl2 Cu N5 O3 -","- C92 H84 Cl8 Cu4 N20 O12 -","4","1","","Neto, Brenno A. D.; Viana, Barbara F. L.; Rodrigues, Thyago S.; Lalli, Priscila M.; Eberlin, Marcos N.; da Silva, Wender A.; de Oliveira, Heibbe C. B.; Gatto, Claudia C.","Condensed, solution and gas phase behaviour of mono- and dinuclear 2,6-diacetylpyridine (dap) hydrazone copper complexes probed by X-ray, mass spectrometry and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11497","11506","10.1039/c3dt50594d","","","0.71073","MoKα","","0.064","0.0421","","","0.0859","0.0918","","","","","","1.038","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7021622","8.6632","0.0002","8.8145","0.0002","33.2879","0.0006","90","","90","","90","","2541.92","0.09","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Br2 Cu N5 O3 -","- C23 H21 Br2 Cu N5 O3 -","- C92 H84 Br8 Cu4 N20 O12 -","4","1","","Neto, Brenno A. D.; Viana, Barbara F. L.; Rodrigues, Thyago S.; Lalli, Priscila M.; Eberlin, Marcos N.; da Silva, Wender A.; de Oliveira, Heibbe C. B.; Gatto, Claudia C.","Condensed, solution and gas phase behaviour of mono- and dinuclear 2,6-diacetylpyridine (dap) hydrazone copper complexes probed by X-ray, mass spectrometry and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11497","11506","10.1039/c3dt50594d","","","0.71073","MoKα","","0.0487","0.0324","","","0.0659","0.0704","","","","","","1.021","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7021640","17.091","0.002","17.091","0.002","17.632","0.004","90","","90","","90","","5150.3","1.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H72 N2 O4 P4 Pt6 S2 -","- C38 H72 N2 O4 P4 Pt6 S2 -","- C152 H288 N8 O16 P16 Pt24 S8 -","4","1","","Anselmi, Martina; Bonuccelli, Veronica; Funaioli, Tiziana; Leoni, Piero; Marchetti, Fabio; Marchetti, Lorella; Mohapatra, Swagat Kumar; Pasquali, Marco","Synthesis and electrochemical characterization of hexanuclear platinum bis-pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10855","10866","10.1039/c3dt50714a","","","0.70087","synchrotronradiation","","0.0408","0.0399","","","0.1181","0.1194","","","","","","1.064","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021646","9.3916","0.0008","15.6362","0.0012","19.3585","0.0016","90","","90","","90","","2842.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","tris(trimethylphosphine)-mer-bis(3,5-bis (trifluoromethyl)pyrzolate)cobalt(ii)","tris(trimethylphosphine)-mer-bis(3,5-bis (trifluoromethyl)pyrzolate)cobalt(ii)","","- C19 H29 Co F12 N4 P3 -","- C19 H29 Co F12 N4 P3 -","- C76 H116 Co4 F48 N16 P12 -","4","1","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of Co bis-trifluoromethylpyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12898","12907","10.1039/c3dt50758k","","","0.71073","MoKα","","0.0469","0.0388","","","0.0781","0.081","","","","","","1.058","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021653","10.633","0.0003","11.8889","0.0003","17.0844","0.0007","90","","90","","90","","2159.72","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H40 B Br P2 -","- C16 H40 B Br P2 -","- C64 H160 B4 Br4 P8 -","4","1","","Shuttleworth, Timothy A.; Huertos, Miguel A.; Pernik, Indrek; Young, Rowan D.; Weller, Andrew S.","Bis(phosphine)boronium salts. Synthesis, structures and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12917","12925","10.1039/c3dt50817j","","","0.71073","MoKα","","0.103","0.0489","","","0.0762","0.0894","","","","","","0.993","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021680","9.5442","0.0001","25.1111","0.0004","27.5039","0.0004","90","","90","","90","","6591.73","0.16","133","2","133.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N O12 V -","- C32 H42 N O12 V -","- C256 H336 N8 O96 V8 -","8","2","","Mohammadnezhad, Gholamhossein; Böhme, Michael; Geibig, Daniel; Burkhardt, Anja; Görls, Helmar; Plass, Winfried","Chiral vanadium(v) complexes with 2-aminoglucose Schiff-base ligands and their solution configurations: synthesis, structures, and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11812","11823","10.1039/c3dt50890k","","","0.71073","MoKα","","0.0446","0.0407","","","0.0947","0.0968","","","","","","1.112","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021682","10.523","0.0003","11.3226","0.0002","28.4192","0.0007","90","","90","","90","","3386.08","0.14","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Br N O11 V -","- C31 H39 Br N O11 V -","- C124 H156 Br4 N4 O44 V4 -","4","1","","Mohammadnezhad, Gholamhossein; Böhme, Michael; Geibig, Daniel; Burkhardt, Anja; Görls, Helmar; Plass, Winfried","Chiral vanadium(v) complexes with 2-aminoglucose Schiff-base ligands and their solution configurations: synthesis, structures, and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11812","11823","10.1039/c3dt50890k","","","0.71073","MoKα","","0.084","0.0552","","","0.0846","0.0949","","","","","","1.2","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021704","16.6768","0.0006","19.3674","0.0007","25.4626","0.0009","90","","90","","90","","8224.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H96 Al2 N12 O5 -","- C87 H96 Al2 N12 O5 -","- C348 H384 Al8 N48 O20 -","4","1","","Li, Chen-Yu; Liu, Dei-Cheng; Ko, Bao-Tsan","Synthesis, characterization and reactivity of single-site aluminium amides bearing benzotriazole phenoxide ligands: catalysis for ring-opening polymerization of lactide and carbon dioxide/propylene oxide coupling.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11488","11496","10.1039/c3dt51003d","","","0.71073","MoKα","","0.1112","0.0683","","","0.1543","0.1757","","","","","","1.012","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021750","10.1992","0.0017","13.863","0.003","16.408","0.003","90","","90","","90","","2320","0.8","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 B2 Cu F8 N4 -","- C20 H20 B2 Cu F8 N4 -","- C80 H80 B8 Cu4 F32 N16 -","4","1","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","","0.0439","","","","0.1358","","","","","","1.039","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021767","9.6314","0.0003","13.3745","0.0005","22.5647","0.0008","90","","90","","90","","2906.68","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 B2 O4 Ru2 -","- C28 H35 B2 O4 Ru2 -","- C112 H140 B8 O16 Ru8 -","4","1","","Anju, R. S.; Roy, Dipak Kumar; Geetharani, K.; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal","A fine tuning of metallaborane to bridged-boryl complex, [(Cp*Ru)2(μ-H)(μ-CO)(μ-Bcat)] (cat = 1,2-O2C6H4; Cp* = η(5)-C5Me5).","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12828","12831","10.1039/c3dt51138c","","","0.71073","MoKα","","0.0383","0.0306","","","0.0767","0.083","","","","","","1.076","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021819","6.8708","0.0009","9.2157","0.0012","18.433","0.002","90","","90","","90","","1167.2","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","in manuscript tBu-1a/tBu-1b (SI)","","","- C8 H14 Cl I N2 -","- C8 H14 Cl0.8589 I1.1411 N2 -","- C32 H56 Cl3.4356 I4.5644 N8 -","4","1","","Brill, Marcel; Kühnel, Erik; Scriban, Corina; Rominger, Frank; Hofmann, Peter","A short and modular synthesis of bulky and electron-rich N-phosphinomethyl-functionalised N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12861","12864","10.1039/c3dt51777b","","","0.71073","MoKα","","0.0274","0.0261","","","0.0623","0.0629","","","","","","1.071","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021868","18.2305","0.0005","18.9609","0.0004","33.7647","0.0006","90","","90","","90","","11671.3","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C125 H109 Cl6 Dy5 N4 O25 -","- C123 H105 Cl2 Dy5 N4 O25 -","- C492 H420 Cl8 Dy20 N16 O100 -","4","1","","Thielemann, Dominique T.; Wagner, Anna T.; Lan, Yanhua; Anson, Christopher E.; Gamer, Michael T.; Powell, Annie K.; Roesky, Peter W.","Slow magnetic relaxation in four square-based pyramidal dysprosium hydroxo clusters ligated by chiral amino acid anions - a comparative study.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14794","14800","10.1039/c3dt50133g","","","0.71073","MoKα","","0.0352","0.0287","","","0.0603","0.0619","","","","","","0.951","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021869","19.2234","0.0003","23.2783","0.0004","30.4077","0.0007","90","","90","","90","","13607.1","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C139 H125 Cl10 Dy5 N8 O25 -","- C134 H115 Dy5 N8 O25 -","- C536 H460 Dy20 N32 O100 -","4","1","","Thielemann, Dominique T.; Wagner, Anna T.; Lan, Yanhua; Anson, Christopher E.; Gamer, Michael T.; Powell, Annie K.; Roesky, Peter W.","Slow magnetic relaxation in four square-based pyramidal dysprosium hydroxo clusters ligated by chiral amino acid anions - a comparative study.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14794","14800","10.1039/c3dt50133g","","","0.71073","MoKα","","0.1072","0.0837","","","0.2322","0.2409","","","","","","1.122","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021870","17.1242","0.0006","20.0781","0.0004","32.8693","0.0007","90","","90","","90","","11301.2","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C114 H113 Cl6 Dy5 N4 O26 -","- C113 H111 Cl4 Dy5 N4 O26 -","- C452 H444 Cl16 Dy20 N16 O104 -","4","1","","Thielemann, Dominique T.; Wagner, Anna T.; Lan, Yanhua; Anson, Christopher E.; Gamer, Michael T.; Powell, Annie K.; Roesky, Peter W.","Slow magnetic relaxation in four square-based pyramidal dysprosium hydroxo clusters ligated by chiral amino acid anions - a comparative study.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14794","14800","10.1039/c3dt50133g","","","0.71073","MoKα","","0.0465","0.039","","","0.0876","0.0901","","","","","","0.966","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021904","9.4145","0.0001","14.9511","0.0002","29.1625","0.0004","90","","90","","90","","4104.83","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H60 N8 -","- C48 H60 N8 -","- C192 H240 N32 -","4","1","","Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu","Discrimination of cis-trans isomers by dinuclear metal cryptates at physiological pH: selectivity for fumarate vs. maleate.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14092","14099","10.1039/c3dt51501j","","","1.54178","CuKα","","0.0282","0.0276","","","0.0685","0.0691","","","","","","1.057","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021923","5.76","0.0008","7.9251","0.0009","37.318","0.005","90","","90","","90","","1703.5","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Au Cl N4 -","- C17 H16 Au Cl N4 -","- C68 H64 Au4 Cl4 N16 -","4","1","","Kaiser, Manuel; Leitner, Sebastian P.; Hirtenlehner, Christa; List, Manuela; Gerisch, Alexander; Monkowius, Uwe","Azobenzene-functionalized N-heterocyclic carbenes as photochromic ligands in silver(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14749","14756","10.1039/c3dt51565f","","","0.71073","MoKα","","0.0572","0.0512","","","0.1306","0.1335","","","","","","1.12","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021988","13.8655","0.0011","15.0021","0.0012","22.855","0.0018","90","","90","","90","","4754.1","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H66 N4 O3 Si2 Zn -","- C46 H66 N4 O3 Si2 Zn -","- C184 H264 N16 O12 Si8 Zn4 -","4","1","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of tris(2-pyridonyl)methyl complexes of zinc and thallium: a new class of metallacarbatranes and a monovalent thallium alkyl compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14053","14057","10.1039/c3dt52163j","","","0.71073","MoKα","","0.0536","0.0361","","","0.0797","0.0877","","","","","","1.019","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7022047","12.9957","0.0008","15.2366","0.0009","20.3856","0.0012","90","","90","","90","","4036.6","0.4","185","2","185","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H39 Cl F2 O5 P2 Zr -","- C45 H39 Cl F2 O5 P2 Zr -","- C180 H156 Cl4 F8 O20 P8 Zr4 -","4","1","","Tang, Xiao-Yan; Wang, Yong-Xia; Liu, San-Rong; Liu, Jing-Yu; Li, Yue-Sheng","Monochloro non-bridged half-metallocene-type zirconium complexes containing phosphine oxide-(thio)phenolate chelating ligands as efficient ethylene polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","499","506","10.1039/c2dt31445b","","","0.71073","MoKα","","0.0796","0.0514","","","0.0898","0.099","","","","","","1.004","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022209","11.943","0.0006","15.8512","0.0008","30.5821","0.0015","90","","90","","90","","5789.5","0.5","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H64 I2 K2 N20 O24 -","- C40 H38 I2 K2 N20 O24 -","- C160 H152 I8 K8 N80 O96 -","4","1","","Gao, Zhong-Wei; Feng, Xing; Mu, Lan; Ni, Xin-Long; Liang, Li-Li; Xue, Sai-Feng; Tao, Zhu; Zeng, Xi; Chapman, Bodgan E.; Kuchel, Philip W.; Lindoy, Leonard F.; Wei, Gang","Cucurbit[5]uril-metal complex-induced room-temperature phosphorescence of α-naphthol and β-naphthol.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2608","2615","10.1039/c2dt32002a","","","0.71073","MoKα","","0.0522","0.041","","","0.1035","0.1088","","","","","","1.073","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022210","12.059","0.002","16.142","0.003","29.452","0.005","90","","90","","90","","5733","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 N22 O24 Tl2 -","- C40 H38 N22 O24 Tl2 -","- C160 H152 N88 O96 Tl8 -","4","1","","Gao, Zhong-Wei; Feng, Xing; Mu, Lan; Ni, Xin-Long; Liang, Li-Li; Xue, Sai-Feng; Tao, Zhu; Zeng, Xi; Chapman, Bodgan E.; Kuchel, Philip W.; Lindoy, Leonard F.; Wei, Gang","Cucurbit[5]uril-metal complex-induced room-temperature phosphorescence of α-naphthol and β-naphthol.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2608","2615","10.1039/c2dt32002a","","","0.71073","MoKα","","0.0861","0.0587","","","0.1685","0.1806","","","","","","1.07","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022226","9.647","0.002","12.31","0.003","21.399","0.004","90","","90","","90","","2541.2","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 B Cu F4 N10 -","- C20 H26 B Cu F4 N10 -","- C80 H104 B4 Cu4 F16 N40 -","4","1","","Femoni, Cristina; Muzzioli, Sara; Palazzi, Antonio; Stagni, Stefano; Zacchini, Stefano; Monti, Filippo; Accorsi, Gianluca; Bolognesi, Margherita; Armaroli, Nicola; Massi, Massimiliano; Valenti, Giovanni; Marcaccio, Massimo","New tetrazole-based Cu(I) homo- and heteroleptic complexes with various P^P ligands: synthesis, characterization, redox and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","997","1010","10.1039/c2dt32056h","","","0.71073","MoKα","","0.0344","0.0313","","","0.0876","0.0896","","","","","","1.042","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022232","14.8501","0.001","28.3308","0.0019","47.428","0.003","90","","90","","90","","19954","2","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C116 H238 Al2 N6 O80 P2 W22 Zr2 -","- C116 H236 Al2 N6 O80 P2 W22 Zr2 -","- C464 H944 Al8 N24 O320 P8 W88 Zr8 -","4","1","","Kato, Chika Nozaki; Makino, Yuki; Unno, Wataru; Uno, Hidemitsu","Synthesis, molecular structure, and stability of a zirconocene derivative with α-Keggin mono-aluminum-substituted polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1129","1135","10.1039/c2dt32107f","","","0.71075","MoKα","","0.0985","0.0835","","","0.1542","0.1613","","","","","","1.143","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022278","10.3249","0.0006","10.8751","0.0005","29.3895","0.0017","90","","90","","90","","3300","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 Cl3 N8 O Ru -","- C26 H42 Cl3 N8 O Ru -","- C104 H168 Cl12 N32 O4 Ru4 -","4","1","","Łakomska, Iwona; Fandzloch, Marzena; Muzioł, Tadeusz; Lis, Tadeusz; Jezierska, Julia","Synthesis, characterization and antitumor properties of two highly cytotoxic ruthenium(iii) complexes with bulky triazolopyrimidine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6219","6226","10.1039/c2dt32216a","","x-ray","0.71073","MoKα","","0.0574","0.039","","","0.0661","0.0692","","","","","","0.922","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022357","7.5358","0.0002","10.7021","0.0002","16.7625","0.0003","90","","90","","90","","1351.88","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N -","- C14 H25 N -","- C56 H100 N4 -","4","1","","Kreye, Markus; Glöckner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias; Walter, Marc D.","Sterically encumbered pyrrolyl ligands and their incorporation into the cycloheptatrienyl zirconium coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2192","2200","10.1039/c2dt32433d","","","1.54184","CuKα","","0.0315","0.0314","","","0.0832","0.0833","","","","","","1.087","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022360","9.5908","0.0003","13.947","0.0004","14.3385","0.0003","90","","90","","90","","1917.96","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N Zr -","- C21 H31 N Zr -","- C84 H124 N4 Zr4 -","4","1","","Kreye, Markus; Glöckner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias; Walter, Marc D.","Sterically encumbered pyrrolyl ligands and their incorporation into the cycloheptatrienyl zirconium coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2192","2200","10.1039/c2dt32433d","","","0.71073","MoKα","","0.0305","0.0246","","","0.0446","0.0461","","","","","","1.058","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022375","6.351","0.005","8.876","0.005","26.832","0.005","90","0.005","90","0.005","90","0.005","1512.6","1.5","89","2","89","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br2 N5 -","- C14 H13 Br2 N5 -","- C56 H52 Br8 N20 -","4","1","","McMorran, David A.; McAdam, C. John; van der Salm, Holly; Gordon, Keith C.","1,5-Diarylbiguanides and their nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2948","2962","10.1039/c2dt32483k","","","0.71069","MoKα","","0.0414","0.0303","","","0.061","0.0635","","","","","","1.029","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022470","10.8176","0.0006","18.1757","0.0011","25.9297","0.0015","90","","90","","90","","5098.2","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H50 F6 Hg N6 O7 S2 -","- C51 H49 F6 Hg N6 O7 S2 -","- C204 H196 F24 Hg4 N24 O28 S8 -","4","1","","Ikeda, Mari; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi","Effects of structures of HgX2 complexes (X = CF3SO3 and Cl) with chiral bidentate ligands on circular dichroism spectra.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","3009","3014","10.1039/c2dt32712k","","","0.71073","MoKα","","0.0476","0.0436","","","0.1015","0.1047","","","","","","1.138","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022607","8.9795","0.0015","18.148","0.003","18.59","0.003","90","","90","","90","","3029.4","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 F3 N2 O2 Zn -","- C32 H39 F3 N2 O2 Zn -","- C128 H156 F12 N8 O8 Zn4 -","4","1","","Rezayee, Nomaan M.; Gerling, Kimberly A.; Rheingold, Arnold L.; Fritsch, Joseph M.","Synthesis and structures of tridentate ketoiminate zinc complexes bearing trifluoromethyl substituents that act as L-lactide ring opening polymerization initiators.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5573","5586","10.1039/c3dt32314e","","","0.71073","MoKα","","0.058","0.0486","","","0.1144","0.123","","","","","","1.026","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022613","9.2297","0.0006","18.2204","0.0013","18.5059","0.0013","90","","90","","90","","3112.1","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","compound3a","","","- C22 H30 O8 Ru3 Si3 -","- C22 H30 O8 Ru3 Si3 -","- C88 H120 O32 Ru12 Si12 -","4","1","","González-López, Vianney; Leyva, Marco A.; Rosales-Hoz, María J","Coupling of acetylene molecules on ruthenium clusters, involving cleavage of C-Si bonds in the alkyne and coordination of a phenyl ring of a SiPh3 group.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5401","5411","10.1039/c3dt32335h","","x-ray","0.71073","MoKα","","0.1421","0.0697","","","0.0948","0.1147","","","","","","1.115","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022645","12.344","0.0004","14.566","0.0006","23.839","0.0009","90","","90","","90","","4286.3","0.3","230","2","230","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H53 Al N10 O2 -","- C42 H53 Al N10 O2 -","- C168 H212 Al4 N40 O8 -","4","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Rodríguez, Ana M; Sánchez-Barba, Luis F; García-Martínez, Joaquín C","Synthesis, structural characterization and catalytic evaluation of the ring-opening polymerization of discrete five-coordinate alkyl aluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9325","9337","10.1039/c3dt32657h","","","0.71073","MoKα","","0.2126","0.0767","","","0.156","0.2306","","","","","","0.94","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022681","9.439","0.0004","9.5611","0.0005","11.676","0.0003","90","","90","","90","","1053.73","0.08","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 B Cl2 N -","- C9 H12 B Cl2 N -","- C36 H48 B4 Cl8 N4 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.0321","0.0269","","","0.0617","0.0657","","","","","","1.122","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022686","8.84","0.0007","11.216","0.0007","15.6841","0.0012","90","","90","","90","","1555.1","0.2","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 B Cl N -","- C17 H19 B Cl N -","- C68 H76 B4 Cl4 N4 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.046","0.0392","","","0.0945","0.1017","","","","","","1.11","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022692","14.3349","0.0008","15.0596","0.0008","17.9807","0.001","90","","90","","90","","3881.6","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 Cl N2 O Pd -","- C41 H59 Cl N2 O Pd -","- C164 H236 Cl4 N8 O4 Pd4 -","4","1","","Kolychev, Eugene L.; Asachenko, Andrey F.; Dzhevakov, Pavel B.; Bush, Alexander A.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Nechaev, Mikhail S.","Expanded ring diaminocarbene palladium complexes: synthesis, structure, and Suzuki-Miyaura cross-coupling of heteroaryl chlorides in water.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6859","6866","10.1039/c3dt32860k","","","0.71073","MoKα","","0.066","0.043","","","0.0934","0.1022","","","","","","1.011","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022763","8.657","0.002","12.581","0.003","14.03","0.004","90","","90","","90","","1528.1","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl2 Cu N4 -","- C15 H14 Cl2 Cu N4 -","- C60 H56 Cl8 Cu4 N16 -","4","1","","Rajarajeswari, Chandrasekaran; Loganathan, Rangasamy; Palaniandavar, Mallayan; Suresh, Eringathodi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar","Copper(II) complexes with 2NO and 3N donor ligands: synthesis, structures and chemical nuclease and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8347","8363","10.1039/c3dt32992e","","","0.71073","MoKα","","0.07","0.0627","","","0.1415","0.1459","","","","","","0.962","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022786","12.5799","0.0003","16.2153","0.0003","19.6833","0.0005","90","","90","","90","","4015.13","0.16","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H66 Ce Li N2 O4 Si4 -","- C26 H66 Ce Li N2 O4 Si4 -","- C104 H264 Ce4 Li4 N8 O16 Si16 -","4","1","","Crozier, Alan R.; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner","Synthesis and grafting of CAN-derived tetravalent cerium alkoxide silylamide precursors onto mesoporous silica MCM-41.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5491","5499","10.1039/c3dt33005b","","","0.71073","MoKα","","0.0478","0.0443","","","0.0762","0.0771","","","","","","1.203","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022804","13.244","0.004","19.003","0.006","21.832","0.006","90","","90","","90","","5495","3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H81 N4 O2 Si2 Yb -","- C53 H81 N4 O2 Si2 Yb -","- C212 H324 N16 O8 Si8 Yb4 -","4","1","","Tu, Jing; Li, Wenbo; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Bridged bis(amidinate) lanthanide aryloxides: syntheses, structures, and catalytic activity for addition of amines to carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5890","5901","10.1039/c3dt33069a","","","0.71075","MoKα","","0.0674","0.0585","","","0.1428","0.167","","","","","","1.094","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022848","14.2006","0.0014","15.6501","0.0016","19.191","0.002","90","","90","","90","","4265","0.8","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H68 N2 O4 Zr -","- C41 H68 N2 O4 Zr -","- C164 H272 N8 O16 Zr4 -","4","1","","Liang, Lan-Chang; Lin, Sheng-Ta; Chien, Chia-Cheng; Chen, Ming-Tsz","Zirconium and hafnium complexes containing N-alkyl substituted amine biphenolate ligands: coordination chemistry and living ring-opening polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9286","9293","10.1039/c3dt50152c","","","0.71073","MoKα","","0.0572","0.0511","","","0.1398","0.1473","","","","","","1.121","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022849","14.3071","0.0006","15.6544","0.0005","19.1151","0.0007","90","","90","","90","","4281.2","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H68 Hf N2 O4 -","- C41 H68 Hf N2 O4 -","- C164 H272 Hf4 N8 O16 -","4","1","","Liang, Lan-Chang; Lin, Sheng-Ta; Chien, Chia-Cheng; Chen, Ming-Tsz","Zirconium and hafnium complexes containing N-alkyl substituted amine biphenolate ligands: coordination chemistry and living ring-opening polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9286","9293","10.1039/c3dt50152c","","","0.71073","MoKα","","0.0271","0.0234","","","0.0564","0.0657","","","","","","1.091","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022878","12.9992","0.0004","13.8548","0.0004","14.6295","0.0003","90","","90","","90","","2634.79","0.12","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C96 H172 Cl4 P8 Pd4 -","4","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","Mokα","","0.0376","0.0333","","","0.0765","0.0788","","","","","","0.945","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022952","10.241","0.003","10.29","0.003","23.602","0.006","90","","90","","90","","2487.2","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H15 Cl2 Cu N3 O S2 -","- C25 H15 Cl2 Cu N3 O S2 -","- C100 H60 Cl8 Cu4 N12 O4 S8 -","4","1","","Li, Lüying; Du, Kejie; Wang, Yi; Jia, Haina; Hou, Xiaojuan; Chao, Hui; Ji, Liangnian","Self-activating nuclease and anticancer activities of copper(II) complexes with aryl-modified 2,6-di(thiazol-2-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11576","11588","10.1039/c3dt50395j","","","0.71073","MoKα","","0.0609","0.0496","","","0.1383","0.1477","","","","","","1.001","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7023053","8.646","0.0002","8.9974","0.0003","12.8915","0.0005","90","","90","","90","","1002.85","0.06","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dr P. G. Taylor","","- C8 H14 F N O2 Si -","- C8 H14 F N O2 Si -","- C32 H56 F4 N4 O8 Si4 -","4","1","","Sohail, M.; Panisch, R.; Bowden, A.; Bassindale, A. R.; Taylor, P. G.; Korlyukov, A. A.; Arkhipov, D. E.; Male, L.; Callear, S.; Coles, S. J.; Hursthouse, M. B.; Harrington, R. W.; Clegg, W.","Pentacoordinate silicon complexes with dynamic motion resembling a pendulum on the S(N)2 reaction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10971","10981","10.1039/c3dt50613d","","","0.71073","MoKα","","0.053","0.0414","","","0.086","0.0944","","","","","","1.112","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023070","17.4471","0.0003","17.451","0.0003","58.386","0.0011","90","","90","","90","","17776.7","0.5","150","2","150","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C136.39 H205.36 Bi4 Cl4 N8.6 O9.2 Si1.2 -","- C136.388 H204.764 Bi4 Cl4 N8.598 O9.2 Si1.196 -","- C545.552 H819.056 Bi16 Cl16 N34.392 O36.8 Si4.784 -","4","1","","Balasanthiran, Vagulejan; Chisholm, Malcolm H.; Durr, Christopher B.; Gallucci, Judith C.","Single-site bismuth alkoxide catalysts for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11234","11241","10.1039/c3dt50629k","","x-ray","0.71073","MoKα","","0.0786","0.0543","","","0.1325","0.1439","","","","","","1.047","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023231","12.289","0.0001","17.6417","0.0001","35.2748","0.0003","90","","90","","90","","7647.54","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C85 H98 Be2 I2 N4 -","- C85 H98 Be2 I2 N4 -","- C340 H392 Be8 I8 N16 -","4","1","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele","Beryllium derivatives of a phenyl-substituted β-diketiminate: a well-defined ring opening reaction of tetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9720","9726","10.1039/c3dt51021b","","","0.71073","MoKα","","0.0809","0.0465","","","0.0851","0.095","","","","","","1.021","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023236","10.5523","0.0006","14.9858","0.0008","19.0095","0.001","90","","90","","90","","3006.1","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 Au F6 N2 O3 P2 -","- C29 H31 Au F6 N2 O3 P2 -","- C116 H124 Au4 F24 N8 O12 P8 -","4","1","","Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh","Cationic gold(I) heteroleptic complexes bearing a pyrazole-derived N-heterocyclic carbene: syntheses, characterizations, and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12421","12428","10.1039/c3dt51071a","","","0.71073","MoKα","","0.0514","0.0452","","","0.0847","0.0869","","","","","","1.004","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023277","11.6508","0.0004","16.9627","0.0006","20.691","0.0007","90","","90","","90","","4089.1","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Mn4]","","","- C35 H44 Mn4 N3 O16 -","- C35 H44 Mn4 N3 O16 -","- C140 H176 Mn16 N12 O64 -","4","1","","Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F.","Homo- and heterometallic planes, chains and cubanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10315","10325","10.1039/c3dt51131f","","","0.7107","MoKα","","0.0863","0.0544","","","0.0946","0.1168","","","","","","1.001","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023297","9.694","0.0006","16.1252","0.001","19.7229","0.0012","90","","90","","90","","3083","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 I N2 O P -","- C36 H30 I N2 O P -","- C144 H120 I4 N8 O4 P4 -","4","1","","Gu, Peng; Zhang, Jun; Xu, Qin; Shi, Min","Synthesis of iridium and rhodium complexes with new chiral phosphine-NHC ligands based on 1,1'-binaphthyl framework and their application in asymmetric hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13599","13606","10.1039/c3dt51141c","","","0.71073","MoKα","","0.0768","0.063","","","0.1634","0.176","","","","","","1.023","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023298","17.469","0.0012","19.7716","0.0014","19.8753","0.0014","90","","90","","90","","6864.7","0.8","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C76 H51 B F24 Ir N2 P -","- C76 H51 B F24 Ir N2 P -","- C304 H204 B4 F96 Ir4 N8 P4 -","4","1","","Gu, Peng; Zhang, Jun; Xu, Qin; Shi, Min","Synthesis of iridium and rhodium complexes with new chiral phosphine-NHC ligands based on 1,1'-binaphthyl framework and their application in asymmetric hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13599","13606","10.1039/c3dt51141c","","","0.71073","MoKα","","0.0355","0.0287","","","0.0732","0.0767","","","","","","1.012","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023308","11.7278","0.0001","12.5536","0.0001","18.5962","0.0002","90","","90","","90","","2737.85","0.04","293","2","293","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 Cl2 N6 O2 P Ru -","- C23 H35 Cl2 N6 O2 P Ru -","- C92 H140 Cl8 N24 O8 P4 Ru4 -","4","1","","Menéndez-Pedregal, Estefania; Díez, Josefina; Manteca, Ángel; Sánchez, Jesús; Bento, Ana C.; García-Navas, Rósula; Mollinedo, Faustino; Gamasa, M. Pilar; Lastra, Elena","Antitumor activity of new enantiopure pybox-ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13955","13967","10.1039/c3dt51160j","","","1.5418","CuKα","","0.0384","0.0364","","","0.0998","0.1062","","","","","","1.089","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023322","9.9813","0.0004","14.1738","0.0005","29.0404","0.0011","90","","90","","90","","4108.4","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H48 B N P2 Ru -","- C51 H48 B N P2 Ru -","- C204 H192 B4 N4 P8 Ru4 -","4","1","","Liu, Zicheng; Xu, Junjie; Ruan, Wenqing; Fu, Chen; Zhang, Hui-Jun; Wen, Ting-Bin","A half-sandwich 1,2-azaborolyl ruthenium complex: synthesis, characterization, and evaluation of its catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11976","11980","10.1039/c3dt51177d","","","0.71073","MoKα","","0.0394","0.0308","","","0.0403","0.0412","","","","","","0.915","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023328","12.3149","0.0017","12.7297","0.0007","14.0515","0.0011","90","","90","","90","","2202.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N5 O6 Zn -","- C21 H21 N5 O6 Zn -","- C84 H84 N20 O24 Zn4 -","4","1","","Kumar, Virendra; Kumar, Ajit; Diwan, Uzra; Upadhyay, K. K.","A Zn(2+)-responsive highly sensitive fluorescent probe and 1D coordination polymer based on a coumarin platform.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13078","13083","10.1039/c3dt51182k","","","0.71073","MoKα","","0.1218","0.0566","","","0.0626","0.0816","","","","","","0.894","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023382","11.979","0.002","18.349","0.004","20.219","0.004","90","","90","","90","","4444.2","1.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H47 B Cl2 Fe N2 P4 -","- C49 H47 B Cl2 Fe N2 P4 -","- C196 H188 B4 Cl8 Fe4 N8 P16 -","4","1","","Frank, Nicolas; Hanau, Katharina; Flosdorf, Kimon; Langer, Robert","Formation of an iron phosphine-borane complex by formal insertion of BH₃ into the Fe-P bond.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11252","11261","10.1039/c3dt51254a","","","0.71073","MoKα","","0.1216","0.0626","","","0.0908","0.0998","","","","","","0.898","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023404","10.482","0.0006","11.9852","0.0007","18.7378","0.001","90","","90","","90","","2354","0.2","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl2 N2 O9 S3 Zn -","- C18 H24 Cl2 N2 O9 S3 Zn -","- C72 H96 Cl8 N8 O36 S12 Zn4 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Lodeiro, Carlos; Mameli, Marta; Montis, Riccardo; Mostallino, M. Cristina; Pintus, Anna; Puccioni, Stefano","Zn2+/Cd2+ optical discrimination by fluorescent chemosensors based on 8-hydroxyquinoline derivatives and sulfur-containing macrocyclic units.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14516","14530","10.1039/c3dt51292d","","","0.71073","MoKα","","0.164","0.1006","","","0.1788","0.2108","","","","","","1.093","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023416","9.2998","0.0019","12.384","0.003","26.896","0.005","90","","90","","90","","3097.6","1.1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Ba6 Se13 Sn6 -","- Ba6 Se13 Sn6 -","- Ba24 Se52 Sn24 -","4","1","","Feng, Kai; Jiang, Xingxing; Kang, Lei; Yin, Wenlong; Hao, Wenyu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian","Ba6Sn6Se13: a new mixed valence selenostannate with NLO property.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13635","13641","10.1039/c3dt51317c","","","0.71073","MoKα","","0.0545","0.0487","","","0.1202","0.1245","","","","","","0.948","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023422","9.1409","0.0008","20.6403","0.0018","24.406","0.002","90","","90","","90","","4604.7","0.7","90","0.1","90","0.1","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C44 H35 B Cl4 F4 Ir N4 P S3 -","- C44 H35 B Cl4 F4 Ir N4 P S3 -","- C176 H140 B4 Cl16 F16 Ir4 N16 P4 S12 -","4","1","","Moore, Stephanie A.; Davies, David L.; Karim, Marcus M.; Nagle, Jeffrey K.; Wolf, Michael O.; Patrick, Brian O.","Photophysical behaviour of cyclometalated iridium(III) complexes with phosphino(terthiophene) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12354","12363","10.1039/c3dt51320c","","","0.71073","MoKα","","0.0358","0.031","","","0.0714","0.0736","","","","","","1.036","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023452","7.3705","0.0002","8.08","0.0003","16.6038","0.0005","90","","90","","90","","988.82","0.05","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N O8 P Sr -","- C5 H10 N O8 P Sr -","- C20 H40 N4 O32 P4 Sr4 -","4","1","","Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her","Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15332","15342","10.1039/c3dt51375k","","","0.71073","MoKα","","0.0277","0.0225","","","0.0385","0.0395","","","","","","0.91","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023454","5.2567","0.0004","8.7839","0.0006","26.549","0.0019","90","","90","","90","","1225.88","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 N O11 P2 Sr2 -","- C5 H9 N O11 P2 Sr2 -","- C20 H36 N4 O44 P8 Sr8 -","4","1","","Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her","Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15332","15342","10.1039/c3dt51375k","","","0.71073","MoKα","","0.0311","0.0269","","","0.0532","0.0542","","","","","","1.069","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7023455","5.4357","0.0004","9.0996","0.0006","27.1031","0.0018","90","","90","","90","","1340.59","0.16","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 Ba2 N O11 P2 -","- C5 H9 Ba2 N O11 P2 -","- C20 H36 Ba8 N4 O44 P8 -","4","1","","Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her","Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15332","15342","10.1039/c3dt51375k","","","0.71073","MoKα","","0.0169","0.0166","","","0.0394","0.0396","","","","","","1.07","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023457","5.259","0.0002","8.7686","0.0003","26.5295","0.0008","90","","90","","90","","1223.38","0.07","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8.95 Eu0.05 N O11 P2 Sr1.95 -","- C5 H8.95 Eu0.053 N O11 P2 Sr1.947 -","- C20 H35.8 Eu0.212 N4 O44 P8 Sr7.788 -","4","1","","Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her","Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15332","15342","10.1039/c3dt51375k","","","0.71073","MoKα","","0.0249","0.0216","","","0.0426","0.0433","","","","","","1.013","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023458","5.2543","0.0002","8.7559","0.0003","26.5187","0.0009","90","","90","","90","","1220.02","0.07","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8.93 N O11 P2 Sr1.93 Tb0.07 -","- C5 H8.93 N O11 P2 Sr1.928 Tb0.072 -","- C20 H35.72 N4 O44 P8 Sr7.712 Tb0.288 -","4","1","","Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her","Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15332","15342","10.1039/c3dt51375k","","","0.71073","MoKα","","0.0327","0.0261","","","0.0457","0.047","","","","","","1.001","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023470","9.669","0.004","15.243","0.006","18.934","0.008","90","","90","","90","","2791","2","230","2","230","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H43 Al2 N5 O -","- C24 H43 Al2 N5 O -","- C96 H172 Al8 N20 O4 -","4","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Gómez, M Victoria; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M","Heteroscorpionate aluminium complexes as chiral building blocks to engineer helical architectures.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14240","14252","10.1039/c3dt51384j","","","0.71073","MoKα","","0.1952","0.0719","","","0.1524","0.2023","","","","","","0.914","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023471","7.51","0.003","19.539","0.009","20.952","0.009","90","","90","","90","","3074","2","230","2","230","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Al2 N5 O -","- C28 H43 Al2 N5 O -","- C112 H172 Al8 N20 O4 -","4","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Gómez, M Victoria; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M","Heteroscorpionate aluminium complexes as chiral building blocks to engineer helical architectures.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14240","14252","10.1039/c3dt51384j","","","0.71073","MoKα","","0.0952","0.0557","","","0.1087","0.1246","","","","","","1.01","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023496","8.998","0.004","13.785","0.006","16.476","0.007","90","","90","","90","","2043.6","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Cl4 Co N3 -","- C19 H13 Cl4 Co N3 -","- C76 H52 Cl16 Co4 N12 -","4","1","","Liu, Heng; Jia, Xiangyu; Wang, Feng; Dai, Quanquan; Wang, Baolin; Bi, Jifu; Zhang, Chunyu; Zhao, Liping; Bai, Chenxi; Hu, Yanming; Zhang, Xuequan","Synthesis of bis(N-arylcarboximidoylchloride)pyridine cobalt(II) complexes and their catalytic behavior for 1,3-butadiene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13723","13732","10.1039/c3dt51403j","","","0.71073","MoKα","","0.0501","0.0371","","","0.0788","0.0838","","","","","","0.999","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023505","18.6059","0.0005","18.7005","0.0005","35.0951","0.0011","90","","90","","90","","12211","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H176 Al6 N4 O18.75 Si8 -","- C93 H176 Al6 N4 O18.75 Si8 -","- C372 H704 Al24 N16 O75 Si32 -","4","1","","Li, Yan; Wang, Jinjin; Wu, Yile; Zhu, Hongping; Samuel, Prinson P.; Roesky, Herbert W.","Synthesis of metallasiloxanes of group 13-15 and their application in catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13715","13722","10.1039/c3dt51408k","","","0.71073","MoKα","","0.1126","0.0793","","","0.186","0.2045","","","","","","1.045","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023567","4.8485","0.0012","14.079","0.004","17.186","0.004","90","","90","","90","","1173.2","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 N2 O7 Sr -","- C12 H8 N2 O7 Sr -","- C48 H32 N8 O28 Sr4 -","4","1","","Guo, Beibei; Li, Li; Wang, Yang; Zhu, Yanyan; Li, Gang","Construction of a series of coordination polymers from three imidazole-based multi-carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14268","14280","10.1039/c3dt51486b","","","0.71073","MoKα","","0.0719","0.0688","","","0.173","0.1757","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023616","14.4445","0.0004","19.8624","0.0007","27.9292","0.0012","90","","90","","90","","8013","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H98 Cd3 N18 O52 Pt3 S6 -","- C30 H68 Cd3 N18 O52 Pt3 S6 -","- C120 H272 Cd12 N72 O208 Pt12 S24 -","4","1","","Galstyan, Anzhela; Sanz Miguel, Pablo J.; Weise, Katrin; Lippert, Bernhard","Discrete and polymeric heteronuclear constructs derived from triangular 2,2'-bipyrazine complexes of cis-a2Pt(II) (with a = NH3 or a2 = en).","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16151","16161","10.1039/c3dt51589c","","","0.71073","MoKα","","0.0807","0.0499","","","0.1035","0.1077","","","","","","0.961","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023629","7.7581","0.0008","15.7652","0.0016","22.81","0.002","90","","90","","90","","2789.8","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 Cd N7 O8 -","- C26 H25 Cd N7 O8 -","- C104 H100 Cd4 N28 O32 -","4","1","","Song, Eun Joo; Kang, Juhye; You, Ga Rim; Park, Gyeong Jin; Kim, Youngmee; Kim, Sung-Jin; Kim, Cheal; Harrison, Roger G.","A single molecule that acts as a fluorescence sensor for zinc and cadmium and a colorimetric sensor for cobalt.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15514","15520","10.1039/c3dt51635k","","","0.71073","MoKα","","0.027","0.0265","","","0.0606","0.0608","","","","","","1.125","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023656","16.9892","0.00007","17.17527","0.00006","19.71472","0.00009","90","","90","","90","","5752.64","0.04","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H60 Cl2 Fe N10 O11 -","- C62 H60 Cl2 Fe N10 O11 -","- C248 H240 Cl8 Fe4 N40 O44 -","4","1","","Howson, Suzanne E.; Clarkson, Guy J.; Faulkner, Alan D.; Kaner, Rebecca A.; Whitmore, Michael J.; Scott, Peter","Optically pure heterobimetallic helicates from self-assembly and click strategies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14967","14981","10.1039/c3dt51725j","","","1.54184","CuKα","","0.0304","0.0298","","","0.0781","0.0784","","","","","","1.068","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023678","9.3249","0.0005","9.4984","0.0004","22.7056","0.0008","90","","90","","90","","2011.07","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","FeA","rao02","","- C5 H8.62 Cl2 Fe N3 O2.25 -","- C5 H8.61 Cl2 Fe N3 O2.305 -","- C40 H68.88 Cl16 Fe8 N24 O18.44 -","8","2","","Sun, Xiaoqi; Xu, Chao; Tian, Guoxin; Rao, Linfeng","Complexation of glutarimidedioxime with Fe(III), Cu(II), Pb(II), and Ni(II), the competing ions for the sequestration of U(VI) from seawater.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14621","14627","10.1039/c3dt51767e","","","0.71073","MoKα","","0.0605","0.0479","","","0.0971","0.1031","","","","","","0.975","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7023694","9.39","0.003","11.42","0.003","12.617","0.004","90","","90","","90","","1353","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 Cl4 Mo2 O5 -","- C3 H10 Cl4 Mo2 O5 -","- C12 H40 Cl16 Mo8 O20 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactivity of molybdenum pentachloride with ethers: routes to the synthesis of Mo(IV)Cl4 adducts, Mo(v) chlorido-alkoxides and Mo(v) oxydo-chlorides.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15226","15234","10.1039/c3dt51797g","","","0.71073","MoKα","","0.0255","0.0252","","","0.064","0.0641","","","","","","1.117","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023728","9.8118","0.0003","15.3669","0.0004","22.9114","0.0005","90","","90","","90","","3454.51","0.16","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","JBW03","","","- C27 H33 B Cl4 Co F2 N7 O4 -","- C27 H33 B Cl4 Co F2 N7 O4 -","- C108 H132 B4 Cl16 Co4 F8 N28 O16 -","4","1","","Bartelmess, Juergen; Weare, Walter W.; Sommer, Roger D.","Synthesis, characterization and structural investigation of novel meso-pyridyl BODIPY-cobaloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14883","14891","10.1039/c3dt51849c","","","0.71073","MoKα","","0.0727","0.058","","","0.1641","0.1732","","","","","","1.042","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023729","10.6796","0.0004","15.1701","0.0006","22.0725","0.0008","90","","90","","90","","3576","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","JBWW04","","","- C27 H32 B Cl5 Co F2 N7 O4 -","- C27 H32 B Cl5 Co F2 N7 O4 -","- C108 H128 B4 Cl20 Co4 F8 N28 O16 -","4","1","","Bartelmess, Juergen; Weare, Walter W.; Sommer, Roger D.","Synthesis, characterization and structural investigation of novel meso-pyridyl BODIPY-cobaloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14883","14891","10.1039/c3dt51849c","","","0.71073","MoKα","","0.1002","0.0838","","","0.223","0.2332","","","","","","1.057","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023842","8.1267","0.0005","9.1916","0.0006","14.8385","0.001","90","","90","","90","","1108.4","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Cl3 N2 Pb -","- C6 H11 Cl3 N2 Pb -","- C24 H44 Cl12 N8 Pb4 -","4","1","","Coleman, Fergal; Feng, Guo; Murphy, Richard W.; Nockemann, Peter; Seddon, Kenneth R.; Swadźba-Kwaśny, Małgorzata","Lead(II) chloride ionic liquids and organic/inorganic hybrid materials‒a study of chloroplumbate(II) speciation.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5025","5035","10.1039/c3dt32742f","","","0.71075","MoKα","","0.0149","0.014","","","0.0319","0.0322","","","","","","0.829","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023866","14.5286","0.0004","20.8778","0.0007","22.757","0.0006","90","","90","","90","","6902.8","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C105.5 H98 Cr4 Mn8 N10 O69 -","- C105.284 H97.852 Cr4 Mn8 N10 O69 -","- C210.568 H195.704 Cr8 Mn16 N20 O138 -","2","0.5","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici","2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of Mn(III)-salen type complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5100","5110","10.1039/c3dt32996h","","","0.71073","MoKα","","0.1574","0.0445","","","0.082","0.0944","","","","","","0.685","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023909","10.225","0.002","16.727","0.003","21.626","0.004","90","","90","","90","","3698.8","1.2","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","tris(diphenyltellane)silver trifluoromethylsulfonate","","- C37 H30 Ag F3 O3 S Te3 -","- C37 H30 Ag F3 O3 S Te3 -","- C148 H120 Ag4 F12 O12 S4 Te12 -","4","1","","Poropudas, Merja J.; Vigo, Ludmila; Oilunkaniemi, Raija; Laitinen, Risto S.","Versatile solid-state coordination chemistry of telluroether complexes of silver(i) and copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16868","16877","10.1039/c3dt51840j","","","0.71073","MoKα","","0.0462","0.0419","","","0.1014","0.1063","","","","","","1.049","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023910","10.768","0.002","16.439","0.003","20.769","0.004","90","","90","","90","","3676.4","1.2","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","tris(diphenyltellane)copper trifluoromethylsulfonate","","- C37 H30 Cu F3 O3 S Te3 -","- C37 H30 Cu F3 O3 S Te3 -","- C148 H120 Cu4 F12 O12 S4 Te12 -","4","1","","Poropudas, Merja J.; Vigo, Ludmila; Oilunkaniemi, Raija; Laitinen, Risto S.","Versatile solid-state coordination chemistry of telluroether complexes of silver(i) and copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16868","16877","10.1039/c3dt51840j","","","0.71073","MoKα","","0.033","0.0302","","","0.0689","0.0705","","","","","","1.061","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023911","10.785","0.002","16.192","0.003","20.157","0.004","90","","90","","90","","3520","1.2","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","tri(diphenylselane)copper trfluoromethylsulfonate","","- C37 H30 Cu F3 O3 S Se3 -","- C37 H30 Cu F3 O3 S Se3 -","- C148 H120 Cu4 F12 O12 S4 Se12 -","4","1","","Poropudas, Merja J.; Vigo, Ludmila; Oilunkaniemi, Raija; Laitinen, Risto S.","Versatile solid-state coordination chemistry of telluroether complexes of silver(i) and copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16868","16877","10.1039/c3dt51840j","","","0.71073","MoKα","","0.0408","0.0372","","","0.0901","0.0934","","","","","","1.02","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023964","12.1488","0.0008","20.0623","0.0014","20.5295","0.0016","90","","90","","90","","5003.7","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H61 Cu N4 Pt -","- C57 H61 Cu N4 Pt -","- C228 H244 Cu4 N16 Pt4 -","4","1","","Batcup, Rhys; Chiu, Frederick Sin Nang; Annibale, Vincent T.; Huh, Jung-Eun Ustina; Tan, Runyu; Song, Datong","Selective one-pot syntheses of Pt(II)-Cu(I) heterobimetallic complexes of 4,5-diazafluorenide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16343","16350","10.1039/c3dt52135d","","","0.71073","MoKα","","0.054","0.0353","","","0.0556","0.0601","","","","","","0.994","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023980","10.4026","0.0003","10.6074","0.0003","19.8992","0.0005","90","","90","","90","","2195.77","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N P S -","- C24 H30 N P S -","- C96 H120 N4 P4 S4 -","4","1","","Kreye, Markus; Runyon, Jason W.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Phosphine-substituted sterically encumbered pyrrolyl ligands - synthesis and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16846","16856","10.1039/c3dt52205a","","","0.71073","MoKα","","0.0385","0.0306","","","0.0669","0.0706","","","","","","1.073","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023981","11.7545","0.0002","11.7669","0.0003","18.8429","0.0004","90","","90","","90","","2606.24","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 Mo N O5 P -","- C23 H34 Mo N O5 P -","- C92 H136 Mo4 N4 O20 P4 -","4","1","","Kreye, Markus; Runyon, Jason W.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Phosphine-substituted sterically encumbered pyrrolyl ligands - synthesis and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16846","16856","10.1039/c3dt52205a","","","0.71073","MoKα","","0.0254","0.0225","","","0.0543","0.0557","","","","","","1.078","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023995","8.3318","0.0013","12.0855","0.0017","18.61","0.002","90","","90","","90","","1873.9","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 B F2 N2 O2 -","- C21 H21 B F2 N2 O2 -","- C84 H84 B4 F8 N8 O8 -","4","1","","Luo, Geng-Geng; Xia, Jiu-Xu; Fang, Kai; Zhao, Qing-Hua; Wu, Ji-Huai; Dai, Jing-Cao","Discovery of polymorphism-dependent emission for crystalline boron-dipyrromethene dye.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16268","16271","10.1039/c3dt52325j","","","1.54184","CuKα","","0.0591","0.0504","","","0.1372","0.1479","","","","","","1.03","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7024023","7.432","0.006","11.285","0.002","25.701","0.012","90","","90","","90","","2156","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Cl O2 Ru -","- C25 H25 Cl O2 Ru -","- C100 H100 Cl4 O8 Ru4 -","4","1","","Rodríguez-Bárzano, Andrea; Blacker, A. John; McGowan, Patrick C.","Synthesis and characterisation of tetramethylfulvene complexes of ruthenium.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16669","16671","10.1039/c3dt52747f","","","0.71073","MoKα","","0.0888","0.0843","","","0.1642","0.1667","","","","","","1.21","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024026","15.056","0.003","16.167","0.003","26.572","0.005","90","","90","","90","","6468","2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H68 Mo12 N8 O52 Si -","- C24 H44 Mo12 N8 O40 Si -","- C96 H176 Mo48 N32 O160 Si4 -","4","1","","Lin, Shiwei; Liu, Wenli; Li, Yangguang; Wu, Qiong; Wang, Enbo; Zhang, Zhiming","Preparation of polyoxometalates in ionic liquids by ionothermal synthesis.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1740","1744","10.1039/b905079e","","","0.71073","MoKα","","0.0627","0.0567","","","0.148","0.1525","","","","","","1.174","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024027","12.1688","0.0005","21.9511","0.0004","22.1026","0.0008","90","","90","","90","","5904","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H72 Fe2 N4 O5 -","- C68 H72 Fe2 N4 O5 -","- C272 H288 Fe8 N16 O20 -","4","1","","Becker, Jan M.; Barker, James; Clarkson, Guy J.; van Gorkum, Remy; Johal, Gursharon K.; Walton, Richard I.; Scott, Peter","Chirality and diastereoselection in the mu-oxo diiron complexes L(2)Fe-O-FeL(2) (L = bidentate salicylaldiminato).","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2309","2326","10.1039/b905706d","","","0.71073","MoKα","","0.1374","0.0884","","","0.1609","0.192","","","","","","1.178","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024028","10.8389","0.0008","11.0719","0.0009","49.761","0.004","90","","90","","90","","5971.7","0.8","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H54 Cl2 Fe2 N8 O13 -","- C61 H54 Cl2 Fe2 N8 O13 -","- C244 H216 Cl8 Fe8 N32 O52 -","4","1","","Becker, Jan M.; Barker, James; Clarkson, Guy J.; van Gorkum, Remy; Johal, Gursharon K.; Walton, Richard I.; Scott, Peter","Chirality and diastereoselection in the mu-oxo diiron complexes L(2)Fe-O-FeL(2) (L = bidentate salicylaldiminato).","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2309","2326","10.1039/b905706d","","","0.71073","MoKα","","0.0361","0.0327","","","0.0729","0.0747","","","","","","1.035","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024033","9.231","0.004","11.485","0.005","24.132","0.012","90","","90","","90","","2558","2","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Fe N2 O4 -","- C30 H28 Fe N2 O4 -","- C120 H112 Fe4 N8 O16 -","4","1","","Becker, Jan M.; Barker, James; Clarkson, Guy J.; van Gorkum, Remy; Johal, Gursharon K.; Walton, Richard I.; Scott, Peter","Chirality and diastereoselection in the mu-oxo diiron complexes L(2)Fe-O-FeL(2) (L = bidentate salicylaldiminato).","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2309","2326","10.1039/b905706d","","","0.71073","MoKα","","0.0734","0.0485","","","0.1065","0.1178","","","","","","0.986","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024043","7.8866","0.0003","14.9148","0.0006","19.3528","0.0008","90","","90","","90","","2276.41","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 N3 Pt -","- C29 H25 N3 Pt -","- C116 H100 N12 Pt4 -","4","1","","Bronner, Catherine; Baudron, Stéphane A; Hosseini, Mir Wais; Strassert, Cristian A.; Guenet, Aurélie; De Cola, Luisa","Dipyrrin based luminescent cyclometallated palladium and platinum complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","180","184","10.1039/b908424j","","","0.71073","MoKα","","0.0468","0.0377","","","0.0615","0.0669","","","","","","1.022","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024065","12.5251","0.0014","20.098","0.002","20.536","0.002","90","","90","","90","","5169.5","0.9","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Lithium tris(tetrahydrofuran) Uranium(IV) pentakis(2,6-dimethylphenoxide) azide","","- C52 H69 Li N3 O8 U -","- C52 H69 Li N3 O8 U -","- C208 H276 Li4 N12 O32 U4 -","4","1","","Fortier, Skye; Wu, Guang; Hayton, Trevor W.","U(IV) and U(V) azide complexes supported by amide or aryloxide ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","352","354","10.1039/b909879h","","","0.71073","MoKα","","0.0996","0.0538","","","0.1079","0.1255","","","","","","0.94","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024213","11.956","0.002","15.464","0.003","22.995","0.005","90","","90","","90","","4251.5","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 Cl2 Mn3 N3 O13 -","- C34 H48 Cl2 Mn3 N3 O13 -","- C136 H192 Cl8 Mn12 N12 O52 -","4","1","","Liu, Cai-Ming; Zhang, De-Qing; Zhu, Dao-Ben","A chiral screw propeller-like scalene triangle manganese(III) cluster.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1781","1785","10.1039/b913062d","","","0.71073","MoKα","","0.1218","0.0822","","","0.1898","0.2107","","","","","","1.05","","","","has coordinates,has disorder","179947","2020-10-21","18:00:00",""
"7024228","10.1738","0.0004","15.8803","0.0007","19.7059","0.0008","90","","90","","90","","3183.7","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 F6 P3 -","- C35 H35 F6 P3 -","- C140 H140 F24 P12 -","4","1","","Chisholm, Danielle M.; Oliver, Allen G.; McIndoe, J. Scott","Mono-alkylated bisphosphines as dopants for ESI-MS analysis of catalytic reactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","2","364","373","10.1039/b913225b","","","0.71073","MoKα","","0.0546","0.0426","","","0.0937","0.1004","","","","","","1.032","","","","has coordinates","179947","2020-10-21","18:00:00",""
"7024250","10.5877","0.0002","12.3918","0.0002","16.0937","0.0003","90","","90","","90","","2111.5","0.07","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H30 Cu F3 N5 O5 S -","- C13 H30 Cu F3 N5 O5 S -","- C52 H120 Cu4 F12 N20 O20 S4 -","4","1","","Woollard-Shore, John G; Holland, Jason P.; Jones, Michael W.; Dilworth, Jonathan R.","Nitrite reduction by copper complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1576","1585","10.1039/b913463h","","","0.71073","MoKα","","0.0823","0.0506","","0.0771","0.0524","0.0524","","","","","","1.0076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7024337","10.06","0.002","25.67","0.005","29.272","0.006","90","","90","","90","","7559","3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 Cl Ge N2 P -","- C41 H50 Cl Ge N2 P -","- C328 H400 Cl8 Ge8 N16 P8 -","8","2","","Reddy, N. Dastagiri; Jana, Anukul; Roesky, Herbert W.; Samuel, Prinson P.; Schulzke, Carola","Synthesis of phosphine substituted beta-diketiminate based isomeric Ge(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","234","238","10.1039/b915403e","","","0.71073","MoKα","","0.0635","0.048","","","0.0861","0.0911","","","","","","1","","","","has coordinates","179948","2020-10-21","18:00:00",""
"7024356","6.7107","0.0003","14.8288","0.0005","31.5966","0.0013","90","","90","","90","","3144.2","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 Cs2 N4 O10 V2 -","- C29 H19 Cs2 N4 O10 V2 -","- C116 H76 Cs8 N16 O40 V8 -","4","1","","Maurya, Mannar R.; Khan, Aftab Alam; Azam, Amir; Ranjan, Samir; Mondal, Neelima; Kumar, Amit; Avecilla, Fernando; Pessoa, João Costa","Vanadium complexes having [V(IV)O](2+) and [V(V)O(2)](+) cores with binucleating dibasic tetradentate ligands: Synthesis, characterization, catalytic and antiamoebic activities.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1345","1360","10.1039/b915752b","","","0.71073","MoKα","","0.0582","0.0413","","","0.0962","0.1156","","","","","","1.108","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7024361","7.0703","0.0003","11.9645","0.0006","34.9758","0.0018","90","","90","","90","","2958.7","0.2","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31.5 H35 Cl N2 O2.5 Ru S -","- C31.5 H35 Cl N2 O2.5 Ru S -","- C126 H140 Cl4 N8 O10 Ru4 S4 -","4","1","","Cheung, Fung Kei Kathy; Clarke, Adam J.; Clarkson, Guy J.; Fox, David J.; Graham, Mark A.; Lin, Changxue; Crivillé, Adriana Lorente; Wills, Martin","Kinetic and structural studies on 'tethered' Ru(II) arene ketone reduction catalysts.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1395","1402","10.1039/b915932k","","","0.71073","MoKα","","0.0535","0.0392","","","0.0826","0.0876","","","","","","1.018","","","","has coordinates","198676","2020-10-21","18:00:00",""
"7024362","13.2206","0.0017","17.179","0.002","25.789","0.003","90","","90","","90","","5857.1","1.2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31.5 H34 Cl2 N2 O2 Ru S -","- C31.5 H34 Cl2 N2 O2 Ru S -","- C252 H272 Cl16 N16 O16 Ru8 S8 -","8","2","","Cheung, Fung Kei Kathy; Clarke, Adam J.; Clarkson, Guy J.; Fox, David J.; Graham, Mark A.; Lin, Changxue; Crivillé, Adriana Lorente; Wills, Martin","Kinetic and structural studies on 'tethered' Ru(II) arene ketone reduction catalysts.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1395","1402","10.1039/b915932k","","","0.71073","MoKα","","0.0714","0.0513","","","0.115","0.1231","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024390","7.2718","0.0009","8.0587","0.0009","33.861","0.004","90","","90","","90","","1984.3","0.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br O2 P -","- C24 H18 Br O2 P -","- C96 H72 Br4 O8 P4 -","4","1","","Wawrzyniak, Piotr; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr","Syntheses and characterization of bis(trifluoromethyl)phosphino naphthalenes and acenaphthenes.","Dalton transactions (Cambridge, England : 2003)","2010","39","1","85","92","10.1039/b916425a","","","0.71073","MoKα","","0.1014","0.0927","","","0.2006","0.2055","","","","","","1.274","","","","has coordinates","179948","2020-10-21","18:00:00",""
"7024396","10.9381","0.0003","11.6842","0.0004","14.1258","0.0005","90","","90","","90","","1805.32","0.1","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 Cl N6 Pd -","- C16 H29 Cl N6 Pd -","- C64 H116 Cl4 N24 Pd4 -","4","1","","Khalaf, Majid S.; Oakley, Sarah H.; Coles, Martyn P.; Hitchcock, Peter B.","Coordination of neutral, methylene bridged bis-guanidyls at palladium.","Dalton transactions (Cambridge, England : 2003)","2010","39","6","1635","1642","10.1039/b916520g","","x-ray","0.71073","MoKα","","0.0434","0.034","","","0.0628","0.0657","","","","","","1.051","","","","has coordinates","179948","2020-10-21","18:00:00",""
"7024451","16.532","0.012","20.872","0.015","22.005","0.016","90","","90","","90","","7593","10","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C67 H76 Cu6 N20 O19 -","- C67 H74 Cu6 N20 O19 -","- C268 H296 Cu24 N80 O76 -","4","1","","Fan, Lin-Lin; Guo, Fu-Sheng; Yun, Lei; Lin, Zhuo-Jia; Herchel, Radovan; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Chiral transition metal clusters from two enantiomeric schiff base ligands. Synthesis, structures, CD spectra and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1771","1780","10.1039/b917091j","","","0.71073","MoKα","","0.1139","0.0794","","","0.1859","0.2148","","","","","","0.958","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024452","16.5932","0.0008","20.8546","0.0015","22.274","0.003","90","","90","","90","","7707.8","1.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C67 H76 Cu6 N20 O19 -","- C67 H74 Cu6 N20 O19 -","- C268 H296 Cu24 N80 O76 -","4","1","","Fan, Lin-Lin; Guo, Fu-Sheng; Yun, Lei; Lin, Zhuo-Jia; Herchel, Radovan; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang","Chiral transition metal clusters from two enantiomeric schiff base ligands. Synthesis, structures, CD spectra and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1771","1780","10.1039/b917091j","","","1.54178","CuKα","","0.0468","0.0406","","","0.1016","0.1041","","","","","","0.995","","","","has coordinates","179949","2020-10-21","18:00:00",""
"7024592","9.1534","0.0004","15.9165","0.0007","19.941","0.001","90","","90","","90","","2905.2","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 Cl2 Fe N P Ti -","- C28 H42 Cl2 Fe N P Ti -","- C112 H168 Cl8 Fe4 N4 P4 Ti4 -","4","1","","Ramos, Alberto; Stephan, Douglas W.","Titanium ferrocenyl-phosphinimide complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1328","1338","10.1039/b918919j","","","0.71073","MoKα","","0.0496","0.0363","","","0.0732","0.0778","","","","","","1.021","","","","has coordinates","179950","2020-10-21","18:00:00",""
"7024639","5.8883","0.0001","15.2307","0.0003","21.6648","0.0005","90","","90","","90","","1942.96","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cu N2 O5 -","- C18 H16 Cu N2 O5 -","- C72 H64 Cu4 N8 O20 -","4","1","","Du, Yi; Thompson, Amber L.; Russell, Nicola; O'Hare, Dermot","Resin-assisted solvothermal synthesis of transition metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2010","39","14","3384","3395","10.1039/b919675g","","","0.71073","MoKα","","0.0704","0.0553","","0.1531","0.1439","0.1531","","","","","","0.9126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024667","10.647","0.003","19.533","0.005","27.369","0.007","90","","90","","90","","5692","3","209","2","209","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H55 Ga2 I6 N3 O -","- C47 H55 Ga2 I6 N3 O -","- C188 H220 Ga8 I24 N12 O4 -","4","1","","Jurca, Titel; Dawson, Karl; Mallov, Ian; Burchell, Tara; Yap, Glenn P. A.; Richeson, Darrin S.","Disproportionation and radical formation in the coordination of ""GaI"" with bis(imino)pyridines.","Dalton transactions (Cambridge, England : 2003)","2010","39","5","1266","1272","10.1039/b920047a","","","0.71073","MoKα","","0.1423","0.0897","","","0.2232","0.254","","","","","","1.021","","","","has coordinates,has disorder","179951","2020-10-21","18:00:00",""
"7024676","8.1525","0.0004","9.3061","0.0004","21.4965","0.0009","90","","90","","90","","1630.9","0.13","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Fe O S3 -","- C14 H20 Fe O S3 -","- C56 H80 Fe4 O4 S12 -","4","1","","Chen, Yanhui; Peng, Ying; Chen, Pingping; Zhao, Jinfeng; Liu, Litao; Li, Yang; Chen, Shuoyi; Qu, Jingping","Insertion reactions of CS2, COS, and PhNCS at thiolate-bridged diiron centers.","Dalton transactions (Cambridge, England : 2003)","2010","39","12","3020","3025","10.1039/b920144k","","","0.71073","MoKα","","0.0245","0.0232","","","0.0591","0.0597","","","","","","1.049","","","","has coordinates","179951","2020-10-21","18:00:00",""
"7024729","6.6497","0.0007","10.2218","0.0012","17.287","0.002","90","","90","","90","","1175","0.2","100","1","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Co2 Na4 O12 S4 -","- Co2 Na4 O12 S4 -","- Co8 Na16 O48 S16 -","4","1","","Chilas, George I.; Lalioti, Nicolia; Vaimakis, Tiverios; Kubicki, Maciej; Kabanos, Themistoklis","Hydrothermal syntheses, crystal structures and physicochemical properties of 2-D and 3-D inorganic coordination cobalt(II)-sulfite polymers.","Dalton transactions (Cambridge, England : 2003)","2010","39","35","8296","8305","10.1039/b920710d","","","0.71073","MoKα","","0.0247","0.021","","","0.0437","0.0448","","","","","","0.99","","","","has coordinates","179952","2020-10-21","18:00:00",""
"7024809","11.1277","0.0004","15.567","0.0007","21.1098","0.0007","90","","90","","90","","3656.7","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 Cl4 N2 O4 Ti -","- C36 H40 Cl4 N2 O4 Ti -","- C144 H160 Cl16 N8 O16 Ti4 -","4","1","","Panda, Manas K.; Shaikh, Mobin M.; Ghosh, Prasenjit","Controlled oxidation of organic sulfides to sulfoxides under ambient conditions by a series of titanium isopropoxide complexes using environmentally benign H2O2 as an oxidant.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2428","2440","10.1039/b921720g","","","0.71073","MoKα","","0.0913","0.0507","","","0.0711","0.0836","","","","","","0.962","","","","has coordinates","179953","2020-10-21","18:00:00",""
"7024858","13.3919","0.0007","14.7012","0.0008","26.525","0.0014","90","","90","","90","","5222.2","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H58 N8 O4 U -","- C50 H58 N8 O4 U -","- C200 H232 N32 O16 U4 -","4","1","","Arnold, Polly L.; Patel, Dipti; Pécharman, Anne-Frédérique; Wilson, Claire; Love, Jason B.","Equatorial ligand substitution by hydroxide in uranyl Pacman complexes of a Schiff-base pyrrole macrocycle.","Dalton transactions (Cambridge, England : 2003)","2010","39","14","3501","3508","10.1039/b922115h","","","0.71073","MoKα","","0.0403","0.0366","","","0.0852","0.087","","","","","","1.05","","","","has coordinates","179953","2020-10-21","18:00:00",""
"7024898","9.211","0.003","9.917","0.004","32.443","0.009","90","","90","","90","","2963.5","1.7","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H45 B2 Br P2 Si2 Sn -","- C19 H45 B2 Br P2 Si2 Sn -","- C76 H180 B8 Br4 P8 Si8 Sn4 -","4","1","","Wills, Corinne; Izod, Keith; Clegg, William; Harrington, Ross W.","Oxidation reactions of a phosphine-borane-stabilised dialkylstannylene.","Dalton transactions (Cambridge, England : 2003)","2010","39","9","2379","2384","10.1039/b922507b","","","0.71073","MoKα","","0.0472","0.0327","","","0.0521","0.0552","","","","","","1.028","","","","has coordinates","179953","2020-10-21","18:00:00",""
"7024914","12.3409","0.0009","14.9874","0.0011","20.6407","0.0015","90","","90","","90","","3817.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H57 Al O3 S -","- C36 H57 Al O3 S -","- C144 H228 Al4 O12 S4 -","4","1","","Tiempos-Flores, Norma; Metta-Magaña, Alejandro-José; Montiel-Palma, Virginia; Cortés-Llamas, Sara-Angélica; Muñoz-Hernández, Miguel-Angel","Aluminium complexes derived from tridentate thioetherbis(phenolate) ligands and their activity in Diels-Alder catalysis.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4312","4320","10.1039/b922657e","","","0.71073","MoKα","","0.0776","0.0597","","","0.1567","0.1656","","","","","","0.972","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7024956","12.047","0.002","12.258","0.002","17.014","0.003","90","","90","","90","","2512.5","0.7","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 N4 Ni O4 S2 -","- C24 H38 N4 Ni O4 S2 -","- C96 H152 N16 Ni4 O16 S8 -","4","1","","Wu, Tao; Li, Cheng-Hui; Li, Yi-Zhi; Zhang, Zhao-Gui; You, Xiao-Zeng","Synthesis, structure and chiroptical study of chiral macrocyclic imine nickel(II) coordination compounds derived from camphor.","Dalton transactions (Cambridge, England : 2003)","2010","39","13","3227","3232","10.1039/b923326a","","","0.71073","MoKα","","0.0494","0.0428","","","0.0771","0.0795","","","","","","0.986","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7024957","12.012","0.003","12.244","0.003","16.996","0.004","90","","90","","90","","2499.7","1.1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 N4 Ni O4 S2 -","- C24 H38 N4 Ni O4 S2 -","- C96 H152 N16 Ni4 O16 S8 -","4","1","","Wu, Tao; Li, Cheng-Hui; Li, Yi-Zhi; Zhang, Zhao-Gui; You, Xiao-Zeng","Synthesis, structure and chiroptical study of chiral macrocyclic imine nickel(II) coordination compounds derived from camphor.","Dalton transactions (Cambridge, England : 2003)","2010","39","13","3227","3232","10.1039/b923326a","","","0.71073","MoKα","","0.0832","0.0598","","","0.074","0.0787","","","","","","1.005","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7024960","10.8873","0.0005","18.6323","0.0007","24.8231","0.001","90","","90","","90","","5035.5","0.4","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 N4 O4 S2 Ti -","- C56 H56 N4 O4 S2 Ti -","- C224 H224 N16 O16 S8 Ti4 -","4","1","","Zi, Guofu; Zhang, Furen; Xiang, Li; Chen, Yue; Fang, Weihai; Song, Haibin","Synthesis and characterization of group 4 metal amides with new C2-symmetric binaphthyldiamine-based ligands and their use as catalysts for asymmetric hydroamination/cyclization.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4048","4061","10.1039/b923457h","","","0.7107","MoKα","","0.0655","0.0556","","","0.1131","0.1184","","","","","","1.072","","","","has coordinates","179954","2020-10-21","18:00:00",""
"7024967","13.611","0.003","23.611","0.006","43.195","0.011","90","","90","","90","","13882","6","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H62 N4 O4 S2 Zr -","- C49 H62 N4 O4 S2 Zr -","- C588 H744 N48 O48 S24 Zr12 -","12","3","","Zi, Guofu; Zhang, Furen; Xiang, Li; Chen, Yue; Fang, Weihai; Song, Haibin","Synthesis and characterization of group 4 metal amides with new C2-symmetric binaphthyldiamine-based ligands and their use as catalysts for asymmetric hydroamination/cyclization.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4048","4061","10.1039/b923457h","","","0.7107","MoKα","","0.0628","0.0533","","","0.1367","0.1464","","","","","","1.051","","","","has coordinates,has disorder","179954","2020-10-21","18:00:00",""
"7025016","13.623","0.003","14.347","0.003","26.022","0.005","90","","90","","90","","5086","1.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Hg N4 Ni O4 -","- C26 H28 Hg N4 Ni O4 -","- C208 H224 Hg8 N32 Ni8 O32 -","8","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Amalgamating metalloligands with coordination networks.","Dalton transactions (Cambridge, England : 2003)","2010","39","8","1941","1947","10.1039/b924475a","","","0.71073","MoKα","","0.0528","0.0526","","","0.1389","0.1391","","","","","","1.155","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025026","6.9251","0.0008","21.38","0.02","33.695","0.003","90","","90","","90","","4989","5","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Cl F6 N9 P Pt -","- C18 H19.5 Cl F6 N9 P Pt -","- C144 H156 Cl8 F48 N72 P8 Pt8 -","8","2","","Lu, Chunxin; Gu, Shaojin; Chen, Wanzhi; Qiu, Huayu","Platinum(II) complexes with polydentate N-heterocyclic carbenes: synthesis, structural characterization and hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4198","4204","10.1039/b924587a","","","0.71073","MoKα","","0.0945","0.0731","","","0.1625","0.171","","","","","","1.109","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025031","10.3021","0.0004","14.781","0.0007","18.3942","0.0008","90","","90","","90","","2801","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 As I2 P Pd -","- C27 H28 As I2 P Pd -","- C108 H112 As4 I8 P4 Pd4 -","4","1","","Ma, Mengtao; Lu, Ruifeng; Pullarkat, Sumod A.; Deng, Weiqiao; Leung, Pak-Hing","Steric effects on the control of endo/exo-selectivity in the asymmetric cycloaddition reaction of 3,4-dimethyl-1-phenylarsole.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5453","5461","10.1039/b924613d","","","0.71073","MoKα","","0.0421","0.0363","","","0.0917","0.1026","","","","","","1.149","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025033","12.6237","0.0003","17.1807","0.0004","23.4194","0.0005","90","","90","","90","","5079.3","0.2","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C49 H52 As Cl7 N O4 P Pd -","- C49 H52 As Cl7 N O4 P Pd -","- C196 H208 As4 Cl28 N4 O16 P4 Pd4 -","4","1","","Ma, Mengtao; Lu, Ruifeng; Pullarkat, Sumod A.; Deng, Weiqiao; Leung, Pak-Hing","Steric effects on the control of endo/exo-selectivity in the asymmetric cycloaddition reaction of 3,4-dimethyl-1-phenylarsole.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5453","5461","10.1039/b924613d","","","0.71073","MoKα","","0.0382","0.0278","","","0.0678","0.0793","","","","","","1.122","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025036","7.4474","0.0001","10.1434","0.0002","30.0269","0.0005","90","","90","","90","","2268.29","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 B Li N9 O3 -","- C18 H27 B Li N9 O3 -","- C72 H108 B4 Li4 N36 O12 -","4","1","","Zhang, Jian; Wu, Tao; Feng, Pingyun; Bu, Xianhui","Hydrogen-bonded boron imidazolate frameworks.","Dalton transactions (Cambridge, England : 2003)","2010","39","7","1702","1704","10.1039/b924633a","","","0.71073","MoKα","","0.0699","0.0379","","","0.0827","0.0961","","","","","","1.014","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025049","13.4183","0.0011","25.469","0.002","26.501","0.002","90","","90","","90","","9056.7","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Fe(tn-OEP)(pyridine)2","","","- C46 H50 Fe N10 O8 -","- C46 H50 Fe N10 O8 -","- C368 H400 Fe8 N80 O64 -","8","2","","Patra, Ranjan; Bhowmik, Susovan; Ghosh, Sudip Kumar; Rath, Sankar Prasad","Effects of axial pyridine coordination on a saddle-distorted porphyrin macrocycle: stabilization of hexa-coordinated high-spin Fe(III) and air-stable low-spin iron(II) porphyrinates.","Dalton transactions (Cambridge, England : 2003)","2010","39","25","5795","5806","10.1039/b924742d","","","0.71073","MoKα","","0.0726","0.0544","","","0.1168","0.1288","","","","","","1.045","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025068","13.54","0.0017","14.7402","0.0019","27.322","0.004","90","","90","","90","","5453","1.3","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H72 N2 Ni2 P S3 -","- C60 H72 N2 Ni2 P S3 -","- C240 H288 N8 Ni8 P4 S12 -","4","1","","Matsumoto, Tsuyoshi; Ito, Mikinao; Kotera, Mai; Tatsumi, Kazuyuki","A dinuclear nickel complex modeling of the Ni(d)(II)-Ni(p)(I) state of the active site of acetyl CoA synthase.","Dalton transactions (Cambridge, England : 2003)","2010","39","12","2995","2997","10.1039/b924915j","","","0.7107","MoKα","","","0.0477","","","","0.1672","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025076","7.171","0.0002","10.446","0.0003","18.587","0.0005","90","","90","","90","","1392.32","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pge0506","","","- C12 H24 I P -","- C12 H24 I P -","- C48 H96 I4 P4 -","4","1","","Edwards, Peter G.; Knight, James C.; Newman, Paul D.","Synthesis of (1R,4S,6R)-5,5,6-trimethyl-2-phosphabicyclo[2.2.2]octane and derivatives.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3851","3860","10.1039/b924983d","","","0.71073","MoKα","","0.0348","0.0317","","","0.0823","0.0836","","","","","","1.042","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025077","7.8766","0.0002","18.4788","0.0004","21.4062","0.0006","90","","90","","90","","3115.67","0.14","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","pge0708","","","- C30 H47 Cl2 N P2 Pd -","- C30 H47 Cl2 N P2 Pd -","- C120 H188 Cl8 N4 P8 Pd4 -","4","1","","Edwards, Peter G.; Knight, James C.; Newman, Paul D.","Synthesis of (1R,4S,6R)-5,5,6-trimethyl-2-phosphabicyclo[2.2.2]octane and derivatives.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3851","3860","10.1039/b924983d","","","0.71073","MoKα","","0.0747","0.05","","","0.0873","0.0968","","","","","","1.046","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025078","7.922","0.0001","21.3381","0.0003","18.4545","0.0003","90","","90","","90","","3119.56","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","pge0812","","","- C30 H47 Cl2 N P2 Pt -","- C30 H47 Cl2 N P2 Pt -","- C120 H188 Cl8 N4 P8 Pt4 -","4","1","","Edwards, Peter G.; Knight, James C.; Newman, Paul D.","Synthesis of (1R,4S,6R)-5,5,6-trimethyl-2-phosphabicyclo[2.2.2]octane and derivatives.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3851","3860","10.1039/b924983d","","","0.71073","MoKα","","0.0664","0.056","","","0.1273","0.1342","","","","","","1.039","","","","has coordinates","179955","2020-10-21","18:00:00",""
"7025206","10.0247","0.0008","20.0725","0.0016","38.752","0.003","90","","90","","90","","7797.7","1.1","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Phosphazene 2 with Ethanol inclusion","Phosphazene 2 with Ethanol inclusion","","- C50 H114 N24 O13 P12 -","- C50 H114 N24 O13 P12 -","- C200 H456 N96 O52 P48 -","4","1","","Lee, David K. Y.; Jackson, Anne-Martine S; Fushimi, Toshiki; Yennawar, Hemant; Allcock, Harry R.","Synthesis and inclusion behavior of cyclotriphosphazene molecules with asymmetric spiro rings.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5341","5348","10.1039/b925734a","","","0.71073","MoKα","","0.0671","0.0617","","","0.1417","0.1445","","","","","","1.145","","","","has coordinates,has disorder","179958","2020-10-21","18:00:00",""
"7025207","9.4582","0.0008","22.3485","0.0018","25.314","0.002","90","","90","","90","","5350.8","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Phosphazene 3 with no inclusion","","","- C24 H27 N6 O3 P3 -","- C24 H27 N6 O3 P3 -","- C192 H216 N48 O24 P24 -","8","2","","Lee, David K. Y.; Jackson, Anne-Martine S; Fushimi, Toshiki; Yennawar, Hemant; Allcock, Harry R.","Synthesis and inclusion behavior of cyclotriphosphazene molecules with asymmetric spiro rings.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5341","5348","10.1039/b925734a","","","0.71073","MoKα","","0.0747","0.0557","","","0.1398","0.1528","","","","","","1.013","","","","has coordinates","179958","2020-10-21","18:00:00",""
"7025238","10.1398","0.0006","18.4371","0.0011","20.6375","0.0012","90","","90","","90","","3858.1","0.4","187","2","187","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H61 N2 O Si2 Y -","- C37 H61 N2 O Si2 Y -","- C148 H244 N8 O4 Si8 Y4 -","4","1","","Yang, Yi; Cui, Dongmei; Chen, Xuesi","The behavior of pyrrolyl ligands within the rare-earth metal alkyl complexes. Insertion of C=N and C=O double bonds into Ln-sigma-C bonds.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3959","3967","10.1039/b926038b","","","0.71073","MoKα","","0.0715","0.0473","","","0.1176","0.1439","","","","","","0.582","","","","has coordinates","179958","2020-10-21","18:00:00",""
"7025243","9.318","0.0006","13.6148","0.0009","21.6514","0.0014","90","","90","","90","","2746.8","0.3","187","2","187","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 N4 Si Y -","- C26 H43 N4 Si Y -","- C104 H172 N16 Si4 Y4 -","4","1","","Yang, Yi; Cui, Dongmei; Chen, Xuesi","The behavior of pyrrolyl ligands within the rare-earth metal alkyl complexes. Insertion of C=N and C=O double bonds into Ln-sigma-C bonds.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3959","3967","10.1039/b926038b","","","0.71073","MoKα","","0.0855","0.0603","","","0.1522","0.1657","","","","","","0.983","","","","has coordinates","179958","2020-10-21","18:00:00",""
"7025248","8.82","0.0004","10.6264","0.0004","50.784","0.002","90","","90","","90","","4759.7","0.3","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H32 N16 Tb -","- C64 H32 N16 Tb -","- C256 H128 N64 Tb4 -","4","1","","Katoh, Keiichi; Komeda, Tadahiro; Yamashita, Masahiro","Surface morphologies, electronic structures, and Kondo effect of lanthanide(III)-phthalocyanine molecules on Au(111) by using STM, STS and FET properties for next generation devices.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4708","4723","10.1039/b926121d","","","0.7107","MoKα","","","0.0608","","","","0.1333","","","","","","1.156","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025249","8.8121","0.0002","10.6081","0.0003","50.7087","0.0015","90","","90","","90","","4740.2","0.2","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C256 H128 Dy4 N64 -","4","1","","Katoh, Keiichi; Komeda, Tadahiro; Yamashita, Masahiro","Surface morphologies, electronic structures, and Kondo effect of lanthanide(III)-phthalocyanine molecules on Au(111) by using STM, STS and FET properties for next generation devices.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4708","4723","10.1039/b926121d","","","0.7107","MoKα","","","0.0504","","","","0.1082","","","","","","1.171","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025250","8.835","0.003","10.616","0.004","50.789","0.017","90","","90","","90","","4764","3","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H32 N16 Y -","- C64 H32 N16 Y -","- C256 H128 N64 Y4 -","4","1","","Katoh, Keiichi; Komeda, Tadahiro; Yamashita, Masahiro","Surface morphologies, electronic structures, and Kondo effect of lanthanide(III)-phthalocyanine molecules on Au(111) by using STM, STS and FET properties for next generation devices.","Dalton transactions (Cambridge, England : 2003)","2010","39","20","4708","4723","10.1039/b926121d","","","0.7107","MoKα","","","0.0721","","","","0.1576","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025325","9.4586","0.0008","26.769","0.002","32.377","0.003","90","","90","","90","","8197.8","1.2","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H82 N8 O47 S9 U5 -","- C32 H80 N8 O47 S9 U5 -","- C128 H320 N32 O188 S36 U20 -","4","1","","Bharara, Mohan S.; Gorden, Anne E. V.","Amine templated two- and three-dimensional uranyl sulfates.","Dalton transactions (Cambridge, England : 2003)","2010","39","15","3557","3559","10.1039/b926973h","","","0.71073","MoKα","","0.0497","0.0387","","","0.0655","0.0692","","","","","","0.947","","","","has coordinates","179959","2020-10-21","18:00:00",""
"7025407","8.2875","0.0006","13.1823","0.0009","31.559","0.002","90","","90","","90","","3447.8","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Cu2 N5 O12 -","- C30 H27 Cu2 N5 O12 -","- C120 H108 Cu8 N20 O48 -","4","1","","Li, Xiao-Yan; Liu, Long-Qing; Ma, Ming-Liang; Zhao, Xiao-Li; Wen, Ke","Coordination-driven self-assembly of discrete and polymeric copper(ii) and dicopper(ii) supramolecular structures based on oxacalix[2]benzene[2]pyrazines.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8646","8651","10.1039/c000180e","","","0.71073","MoKα","","0.0582","0.0445","","","0.1153","0.126","","","","","","1.119","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7025418","12.675","0.0003","16.388","0.0006","29.958","0.001","90","","90","","90","","6222.8","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C71 H68 P4 Pt2 Si2 -","- C71 H68 P4 Pt2 Si2 -","- C284 H272 P16 Pt8 Si8 -","4","1","","Arii, Hidekazu; Takahashi, Makiko; Nanjo, Masato; Mochida, Kunio","Syntheses of mono- and dinuclear silylplatinum complexes bearing a diphosphino ligand via stepwise bond activation of unsymmetric disilanes.","Dalton transactions (Cambridge, England : 2003)","2010","39","28","6434","6440","10.1039/c000545b","","","0.71073","MoKα","","0.0583","0.0526","","","0.1349","0.1396","","","","","","1.022","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7025483","11.068","0.002","15.986","0.003","25.723","0.005","90","","90","","90","","4551.2","1.5","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C100 H90 Cl2 F12 Fe2 N16 O P2 -","- C100 H88 Cl2 F12 Fe2 N16 O P2 -","- C200 H176 Cl4 F24 Fe4 N32 O2 P4 -","2","0.5","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Mix and match: templating chiral Schiff base ligands to suit the needs of the metal ion.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5332","5340","10.1039/c001145b","","","0.71073","MoKα","","0.0503","0.0473","","","0.1146","0.1169","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025484","9.908","0.002","15.486","0.003","27.657","0.006","90","","90","","90","","4243.6","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 F12 Fe N7 P2 -","- C42 H41 F12 Fe N7 P2 -","- C168 H164 F48 Fe4 N28 P8 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.","Mix and match: templating chiral Schiff base ligands to suit the needs of the metal ion.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5332","5340","10.1039/c001145b","","","0.71073","MoKα","","0.0368","0.0355","","","0.0913","0.092","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7025486","14.6194","0.0006","15.8232","0.0006","27.5609","0.0011","90","","90","","90","","6375.5","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C63 H83 Cl3 N4 O8 Zr2 -","- C63 H83 Cl3 N4 O8 Zr2 -","- C252 H332 Cl12 N16 O32 Zr8 -","4","1","","Hu, Minggang; Wang, Mei; Zhu, Hongjun; Zhang, Lu; Zhang, Hui; Sun, Licheng","Preparation and structures of enantiomeric dinuclear zirconium and hafnium complexes containing two homochiral N atoms, and their catalytic property for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4440","4446","10.1039/c001148g","","","0.71073","MoKα","","0.0399","0.0347","","","0.0713","0.0732","","","","","","0.948","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7025488","14.6214","0.0013","15.8246","0.0014","27.544","0.003","90","","90","","90","","6373.1","1.1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C63 H83 Cl3 N4 O8 Zr2 -","- C63 H83 Cl3 N4 O8 Zr2 -","- C252 H332 Cl12 N16 O32 Zr8 -","4","1","","Hu, Minggang; Wang, Mei; Zhu, Hongjun; Zhang, Lu; Zhang, Hui; Sun, Licheng","Preparation and structures of enantiomeric dinuclear zirconium and hafnium complexes containing two homochiral N atoms, and their catalytic property for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4440","4446","10.1039/c001148g","","","0.71073","MoKα","","0.0575","0.0423","","","0.0799","0.0844","","","","","","0.921","","","","has coordinates","179960","2020-10-21","18:00:00",""
"7025489","14.6202","0.0009","15.7804","0.0011","27.372","0.002","90","","90","","90","","6315.1","0.7","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H75 Cl3 Hf2 N4 O7 -","- C58 H75 Cl3 Hf2 N4 O7 -","- C232 H300 Cl12 Hf8 N16 O28 -","4","1","","Hu, Minggang; Wang, Mei; Zhu, Hongjun; Zhang, Lu; Zhang, Hui; Sun, Licheng","Preparation and structures of enantiomeric dinuclear zirconium and hafnium complexes containing two homochiral N atoms, and their catalytic property for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4440","4446","10.1039/c001148g","","","0.71073","MoKα","","0.0952","0.0546","","","0.0971","0.1126","","","","","","0.975","","","","has coordinates,has disorder","179960","2020-10-21","18:00:00",""
"7025490","14.5989","0.0006","15.779","0.0007","27.3541","0.0017","90","","90","","90","","6301.2","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H75 Cl3 Hf2 N4 O7 -","- C58 H75 Cl3 Hf2 N4 O7 -","- C232 H300 Cl12 Hf8 N16 O28 -","4","1","","Hu, Minggang; Wang, Mei; Zhu, Hongjun; Zhang, Lu; Zhang, Hui; Sun, Licheng","Preparation and structures of enantiomeric dinuclear zirconium and hafnium complexes containing two homochiral N atoms, and their catalytic property for polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","18","4440","4446","10.1039/c001148g","","","0.71073","MoKα","","0.0716","0.0398","","","0.0684","0.0785","","","","","","0.97","","","","has coordinates,has disorder","179960","2020-10-21","18:00:00",""
"7025530","18.175","0.005","19.08","0.005","33.846","0.005","90","0.005","90","0.005","90","0.005","11737","5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C125 H109 Cl6 N4 O25 Y5 -","- C125 H108 Cl6 N4 O25 Y5 -","- C500 H432 Cl24 N16 O100 Y20 -","4","1","","Thielemann, Dominique T.; Fernández, Ignacio; Roesky, Peter W.","New amino acid ligated yttrium hydroxy clusters.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6661","6666","10.1039/c001464h","","","0.71069","MoKα","","0.0677","0.0449","","","0.1139","0.1314","","","","","","1.054","","","","has coordinates,has disorder","179961","2020-10-21","18:00:00",""
"7025531","16.587","0.003","20.348","0.004","31.568","0.006","90","","90","","90","","10655","3","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C110 H103 N4 O25 Y5 -","- C110 H102 N4 O25 Y5 -","- C440 H408 N16 O100 Y20 -","4","1","","Thielemann, Dominique T.; Fernández, Ignacio; Roesky, Peter W.","New amino acid ligated yttrium hydroxy clusters.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6661","6666","10.1039/c001464h","","","0.71073","MoKα","","0.1456","0.0839","","","0.1423","0.1662","","","","","","1.037","","","","has coordinates,has disorder","179961","2020-10-21","18:00:00",""
"7025532","16.792","0.003","20.108","0.004","31.541","0.006","90","","90","","90","","10650","3","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C110 H111 N4 O25 Y5 -","- C110 H110 N4 O25 Y5 -","- C440 H440 N16 O100 Y20 -","4","1","","Thielemann, Dominique T.; Fernández, Ignacio; Roesky, Peter W.","New amino acid ligated yttrium hydroxy clusters.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6661","6666","10.1039/c001464h","","","0.71073","MoKα","","0.0766","0.0564","","","0.1179","0.1265","","","","","","1.073","","","","has coordinates,has disorder","179961","2020-10-21","18:00:00",""
"7025533","19.306","0.004","23.271","0.005","30.474","0.006","90","","90","","90","","13691","5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C138 H127 Cl6 N8 O27 Y5 -","- C138 H120 Cl6 N8 O27 Y5 -","- C552 H480 Cl24 N32 O108 Y20 -","4","1","","Thielemann, Dominique T.; Fernández, Ignacio; Roesky, Peter W.","New amino acid ligated yttrium hydroxy clusters.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6661","6666","10.1039/c001464h","","","0.71073","MoKα","","0.101","0.0784","","","0.1881","0.1992","","","","","","1.071","","","","has coordinates,has disorder","179961","2020-10-21","18:00:00",""
"7025580","15.2696","0.0006","16.8752","0.0007","19.2287","0.0008","90","","90","","90","","4954.8","0.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H79 N2 Nd O4 -","- C50 H63 N2 Nd O4 -","- C200 H252 N8 Nd4 O16 -","4","1","","Nie, Kun; Gu, Xiangyong; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and characterization of amine bridged bis(phenolate) lanthanide aryloxides and their application in the polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6832","6840","10.1039/c001888k","","","0.71075","MoKα","","0.0415","0.0381","","","0.0902","0.0925","","","","","","1.033","","","","has coordinates,has disorder","179961","2020-10-21","18:00:00",""
"7025581","15.3534","0.0014","16.868","0.0015","19.187","0.002","90","","90","","90","","4969.1","0.8","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H79 N2 O4 Sm -","- C50 H63 N2 O4 Sm -","- C200 H252 N8 O16 Sm4 -","4","1","","Nie, Kun; Gu, Xiangyong; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and characterization of amine bridged bis(phenolate) lanthanide aryloxides and their application in the polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6832","6840","10.1039/c001888k","","","0.71075","MoKα","","0.1219","0.1032","","","0.2604","0.2768","","","","","","1.091","","","","has coordinates,has disorder","288542","2023-12-24","01:25:18",""
"7025582","15.604","0.003","16.456","0.003","19.273","0.003","90","","90","","90","","4948.9","1.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","sy","","","- C50 H79 N2 O4 Yb -","- C50 H63 N2 O4 Yb -","- C200 H252 N8 O16 Yb4 -","4","1","","Nie, Kun; Gu, Xiangyong; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and characterization of amine bridged bis(phenolate) lanthanide aryloxides and their application in the polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6832","6840","10.1039/c001888k","","","0.71075","MoKα","","0.0586","0.0512","","","0.1097","0.1141","","","","","","1.056","","","","has coordinates,has disorder","179961","2020-10-21","18:00:00",""
"7025611","9.1037","0.0002","15.7675","0.0003","17.1993","0.0003","90","","90","","90","","2468.83","0.08","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Ag Cl3 N3 -","- C23 H27 Ag Cl3 N3 -","- C92 H108 Ag4 Cl12 N12 -","4","1","","Badaj, Anna C.; Dastgir, Sarim; Lough, Alan J.; Lavoie, Gino G.","First aryl-substituted acyclic imino-N-heterocyclic carbene ligand precursor: synthesis, characterisation and coordination with silver(I) and copper(I).","Dalton transactions (Cambridge, England : 2003)","2010","39","14","3361","3365","10.1039/c002234a","","","0.71073","MoKα","","0.0439","0.0349","","","0.077","0.0824","","","","","","1.075","","","","has coordinates,has disorder","179962","2020-10-21","18:00:00",""
"7025675","5.1253","0.0002","10.9658","0.00029","24.5604","0.0008","90","","90","","90","","1380.37","0.08","200","2","200","","","","","","","","0.85 mL O.3 M Pd-en (0.26 mmol) and 55 mg Galactosamin-hydrochlorid (0.26 mmol) were stirred at 4 \%C. After addition of acetone crystals of (I) formed within one month.","6","P 21 21 21","P 2ac 2ab","19","[Pd(en)(α-D-Galp2N1H-1)]Cl","","","- C8 H22 Cl N3 O6 Pd -","- C8 H22 Cl N3 O6 Pd -","- C32 H88 Cl4 N12 O24 Pd4 -","4","1","","Schwarz, Thomas; Hess, David; Klüfers, Peter","Metal chelation by the common 2-amino-2-deoxy-, 2-N-acetylamino-2-deoxy-, and 2-deoxy-hexoses.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5544","5555","10.1039/c002711a","","","0.71073","MoKα","","0.0417","0.0325","","","0.0617","0.0652","","","","","","1.042","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025676","16.4419","0.0014","7.6517","0.0007","21.447","0.0011","90","","90","","90","","2698.2","0.4","200","2","200","2","","","","","","","28 mg (0.13 mmol) N-Acetyl-galactosamin werden in 1.0 mL (0.33 mmol) 0.3 M Pd-en aufgel\""ost und etwa 20 Stunden im Eisbad geruehrt. Nach S\""attigung der L\""osung mit Aceton entstehen nach ca. 2 Tagen schwach gelbe Kristalle.","5","P 21 21 21","P 2ac 2ab","19","[Pd2(en)2(/a-D-GlcpNAc1,2,3,4H-4)]*9.6H2O","","","- C12 H39 N5 O15.57 Pd2 -","- C12 H39 N5 O15.567 Pd2 -","- C48 H156 N20 O62.268 Pd8 -","4","1","","Schwarz, Thomas; Hess, David; Klüfers, Peter","Metal chelation by the common 2-amino-2-deoxy-, 2-N-acetylamino-2-deoxy-, and 2-deoxy-hexoses.","Dalton transactions (Cambridge, England : 2003)","2010","39","23","5544","5555","10.1039/c002711a","","","0.71073","MoKα","","0.0364","0.0315","","","0.0698","0.0711","","","","","","1.049","","","","has coordinates","179962","2020-10-21","18:00:00",""
"7025728","14.3318","0.0003","16.2488","0.0003","51.1493","0.0011","90","","90","","90","","11911.4","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H31 Co3 Fe O8 P2 -","- C44 H31 Co3 Fe O8 P2 -","- C528 H372 Co36 Fe12 O96 P24 -","12","3","","Bruce, Michael I.; Humphrey, Paul A.; Zaitseva, Natasha N.; Nicholson, Brian K.; Skelton, Brian W.; White, Allan H.","Conversion of C[triple bond]C to CO in alkynyl-metal complexes: oxidation of carbon chains capped by carbon-tricobalt clusters.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8801","8811","10.1039/c002997c","","","1.54184","CuKα","","0.098","0.0539","","","0.1181","0.1364","","","","","","0.82","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7025752","8.718","0.0004","14.8768","0.0007","17.0012","0.0008","90","","90","","90","","2204.99","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23.7 Cl2 O6.35 Os P -","- C19 H23 Cl2 O6.35 Os P -","- C76 H92 Cl8 O25.4 Os4 P4 -","4","1","","Hanif, Muhammad; Nazarov, Alexey A.; Hartinger, Christian G.; Kandioller, Wolfgang; Jakupec, Michael A.; Arion, Vladimir B.; Dyson, Paul J.; Keppler, Bernhard K.","Osmium(II)‒versus ruthenium(II)‒arene carbohydrate-based anticancer compounds: similarities and differences.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7345","7352","10.1039/c003085f","","","0.71073","MoKα","","0.028","0.024","","","0.0493","0.0505","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025754","11.6343","0.0002","12.5462","0.0003","16.8066","0.0004","90","","90","","90","","2453.2","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl2 N6 Pd -","- C20 H27 Cl2 N5 Pd -","- C80 H108 Cl8 N20 Pd4 -","4","1","","John, Alex; Shaikh, Mobin M.; Butcher, Ray J.; Ghosh, Prasenjit","Highly efficient palladium precatalysts of homoscorpionate bispyrazolyl ligands for the more challenging Suzuki-Miyaura cross-coupling of aryl chlorides.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7353","7363","10.1039/c003174g","","","0.71073","MoKα","","0.0504","0.0426","","","0.0871","0.0917","","","","","","1.077","","","","has coordinates","179963","2020-10-21","18:00:00",""
"7025763","12.924","0.003","14.532","0.003","19.717","0.004","90","","90","","90","","3703.1","1.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H70 N4 Pt -","- C40 H70 N4 Pt -","- C160 H280 N16 Pt4 -","4","1","","Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Flexible cycloalkyl-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2010","39","16","3923","3930","10.1039/c003214j","","","0.71073","MoKα","","0.0486","0.0408","","","0.0651","0.068","","","","","","1.029","","","","has coordinates","179963","2020-10-21","18:00:00",""
"7025797","8.1752","0.0005","10.1189","0.0006","24.5004","0.0014","90","","90","","90","","2026.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 O3 P Se -","- C22 H25 O3 P Se -","- C88 H100 O12 P4 Se4 -","4","1","","Cunningham, Tom J.; Elsegood, Mark R. J.; Kelly, Paul F.; Smith, Martin B.; Staniland, Paul M.","Versatile routes to selenoether functionalised tertiary phosphines.","Dalton transactions (Cambridge, England : 2003)","2010","39","22","5216","5218","10.1039/c0dt00004c","","","0.71073","MoKα","","0.0571","0.0391","","","0.0785","0.0858","","","","","","1.06","","","","has coordinates","179963","2020-10-21","18:00:00",""
"7025802","8.9129","0.0019","18.206","0.004","29","0.006","90","","90","","90","","4705.8","1.7","163","2","163","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H75 Lu3 N6 Si3 -","- C36 H75 Lu3 N6 Si3 -","- C144 H300 Lu12 N24 Si12 -","4","1","","Shima, Takanori; Hou, Zhaomin","Selective ammonolysis of half-sandwich rare-earth metal dialkyl and polyhydride complexes: synthesis of polyamido rare-earth complexes having novel structures.","Dalton transactions (Cambridge, England : 2003)","2010","39","29","6858","6863","10.1039/c0dt00006j","","","0.71073","MoKα","","0.0447","0.0369","","","0.0547","0.0567","","","","","","0.909","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7025824","11.4602","0.0003","13.8298","0.0004","21.8599","0.0007","90","","90","","90","","3464.63","0.17","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H32 B F10 O P -","- C39 H32 B F10 O P -","- C156 H128 B4 F40 O4 P4 -","4","1","","Mömming, Cornelia M; Kehr, Gerald; Wibbeling, Birgit; Fröhlich, Roland; Erker, Gerhard","Addition reactions to the intramolecular mesityl2P-CH2-CH2-B(C6F5)2 frustrated Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2010","39","32","7556","7564","10.1039/c0dt00015a","","","1.54178","CuKα","","0.0414","0.0389","","","0.0988","0.101","","","","","","1.036","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7025866","7.787","0.0016","14.363","0.003","16.531","0.003","90","","90","","90","","1848.9","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 La N9 O6 -","- C15 H12 La N9 O6 -","- C60 H48 La4 N36 O24 -","4","1","","Deng, Zhao-Peng; Kang, Wei; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Rare-earth organic frameworks involving three types of architecture tuned by the lanthanide contraction effect: hydrothermal syntheses, structures and luminescence.","Dalton transactions (Cambridge, England : 2003)","2010","39","27","6276","6284","10.1039/c0dt00031k","","","0.71073","MoKα","","0.0178","0.0174","","","0.0399","0.04","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7025892","8.7554","0.0015","11.3211","0.0018","19.807","0.004","90","","90","","90","","1963.3","0.6","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As La N6 Se4 -","- C8 H26 As La N6 Se4 -","- C32 H104 As4 La4 N24 Se16 -","4","1","","Wang, Jiao; Pan, Yingli; Chen, Jiangfang; Gu, Jiansheng; Zhang, Yong; Jia, Dingxian","Investigating metal size effects in the Ln/As/Se/amine (Ln = lanthanide excluding Pm, amine = en, dien, en+trien) systems: solvothermal syntheses and characterizations of lanthanide selenidoarsenates.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7066","7072","10.1039/c0dt00040j","","","0.71073","MoKα","","0.0383","0.0326","","","0.0693","0.0708","","","","","","0.892","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7025893","8.746","0.002","11.277","0.003","19.717","0.006","90","","90","","90","","1944.7","0.9","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As N6 Nd Se4 -","- C8 H26 As N6 Nd Se4 -","- C32 H104 As4 N24 Nd4 Se16 -","4","1","","Wang, Jiao; Pan, Yingli; Chen, Jiangfang; Gu, Jiansheng; Zhang, Yong; Jia, Dingxian","Investigating metal size effects in the Ln/As/Se/amine (Ln = lanthanide excluding Pm, amine = en, dien, en+trien) systems: solvothermal syntheses and characterizations of lanthanide selenidoarsenates.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7066","7072","10.1039/c0dt00040j","","","0.71073","MoKα","","0.0781","0.0567","","","0.1426","0.1625","","","","","","1.103","","","","has coordinates","179964","2020-10-21","18:00:00",""
"7025965","10.1005","0.0004","13.0781","0.0005","21.7855","0.001","90","","90","","90","","2877.8","0.2","173","","173","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N4 Ni O4 S2 -","- C30 H30 N4 Ni O4 S2 -","- C120 H120 N16 Ni4 O16 S8 -","4","1","","Esparza-Ruiz, Adriana; González-Gómez, Guadalupe; Mijangos, Edgar; Peña-Hueso, Adrián; López-Sandoval, Horacio; Flores-Parra, Angelina; Contreras, Rosalinda; Barba-Behrens, Norah","Coordination chemistry of a bis(benzimidazole) disulfide: eleven membered chelate ring in cobalt(II), zinc(II) and cadmium(II) halide compounds; oxidative disulfide cleavage when coordinated to nickel(II).","Dalton transactions (Cambridge, England : 2003)","2010","39","27","6302","6309","10.1039/c0dt00084a","","x-ray","0.71073","MoKα","","0.0958","0.0446","","0.1873","0.0512","0.0512","","","","","","1.0044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7026012","9.334","0.004","17.848","0.007","19.865","0.008","90","","90","","90","","3309","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 Dy2 N2 O2 S -","- C35 H40 Dy2 N2 O2 S -","- C140 H160 Dy8 N8 O8 S4 -","4","1","","Liu, Ruiting; Li, Xiaoqing; Zhang, Houcai; Weng, Linhong; Zhou, Xigeng","Synthesis and controlled hydrolysis of organolanthanide complexes with mono- and dianionic benzimidazole-2-thiolate ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","11053","11059","10.1039/c0dt00129e","","","0.71073","MoKα","","0.0421","0.0382","","","0.0944","0.0966","","","","","","1.004","","","","has coordinates","179966","2020-10-21","18:00:00",""
"7026013","9.29","0.003","17.813","0.006","19.826","0.007","90","","90","","90","","3280.9","1.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 Er2 N2 O2 S -","- C35 H40 Er2 N2 O2 S -","- C140 H160 Er8 N8 O8 S4 -","4","1","","Liu, Ruiting; Li, Xiaoqing; Zhang, Houcai; Weng, Linhong; Zhou, Xigeng","Synthesis and controlled hydrolysis of organolanthanide complexes with mono- and dianionic benzimidazole-2-thiolate ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","11053","11059","10.1039/c0dt00129e","","","0.71073","MoKα","","0.0449","0.0349","","","0.0729","0.0764","","","","","","0.996","","","","has coordinates","179966","2020-10-21","18:00:00",""
"7026014","9.356","0.003","17.88","0.006","19.923","0.007","90","","90","","90","","3332.8","1.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 N2 O2 S Y2 -","- C35 H40 N2 O2 S Y2 -","- C140 H160 N8 O8 S4 Y8 -","4","1","","Liu, Ruiting; Li, Xiaoqing; Zhang, Houcai; Weng, Linhong; Zhou, Xigeng","Synthesis and controlled hydrolysis of organolanthanide complexes with mono- and dianionic benzimidazole-2-thiolate ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","11053","11059","10.1039/c0dt00129e","","","0.71073","MoKα","","0.0796","0.0466","","","0.0869","0.0977","","","","","","0.929","","","","has coordinates","179966","2020-10-21","18:00:00",""
"7026018","9.281","0.002","17.876","0.004","19.787","0.005","90","","90","","90","","3282.8","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 N2 O2 S Yb2 -","- C35 H40 N2 O2 S Yb2 -","- C140 H160 N8 O8 S4 Yb8 -","4","1","","Liu, Ruiting; Li, Xiaoqing; Zhang, Houcai; Weng, Linhong; Zhou, Xigeng","Synthesis and controlled hydrolysis of organolanthanide complexes with mono- and dianionic benzimidazole-2-thiolate ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","11053","11059","10.1039/c0dt00129e","","","0.71073","MoKα","","0.0315","0.0261","","","0.0557","0.0579","","","","","","1.002","","","","has coordinates","179966","2020-10-21","18:00:00",""
"7026021","15.801","0.002","20.2479","0.0017","10.1003","0.0015","90","","90","","90","","3231.5","0.7","293.1","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 O3 Si3 -","- C36 H30 O3 Si3 -","- C144 H120 O12 Si12 -","4","1","","Tanaka, Ryoji; Kowase, Susumu; Unno, Masafumi","Chiral cyclotrisiloxanes.","Dalton transactions (Cambridge, England : 2003)","2010","39","39","9235","9237","10.1039/c0dt00135j","","","0.71069","MoKα","","","0.0386","","","","0.1398","","","","","","0.984","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026022","15.798","0.002","20.248","0.003","10.101","0.002","90","","90","","90","","3231.1","0.9","293.1","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 O3 Si3 -","- C36 H30 O3 Si3 -","- C144 H120 O12 Si12 -","4","1","","Tanaka, Ryoji; Kowase, Susumu; Unno, Masafumi","Chiral cyclotrisiloxanes.","Dalton transactions (Cambridge, England : 2003)","2010","39","39","9235","9237","10.1039/c0dt00135j","","","0.71069","MoKα","","","0.0394","","","","0.1533","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7026097","7.9436","0.0001","11.3609","0.0002","11.9034","0.0002","90","","90","","90","","1074.24","0.03","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Cl2 N4 Zn -","- C6 H8 Cl2 N4 Zn -","- C24 H32 Cl8 N16 Zn4 -","4","1","","Adams, Christopher J.; Kurawa, Mukhtar A.; Orpen, A. Guy","Coordination chemistry in the solid state: synthesis and interconversion of pyrazolium salts, pyrazole complexes, and pyrazolate MOFs.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","6974","6984","10.1039/c0dt00195c","","","0.71073","MoKα","","0.053","0.0362","","","0.0831","0.0889","","","","","","1.032","","","","has coordinates","179966","2020-10-21","18:00:00",""
"7026098","7.9779","0.0012","11.3785","0.0016","12.0866","0.0018","90","","90","","90","","1097.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Cl2 N4 Zn -","- C6 H8 Cl2 N4 Zn -","- C24 H32 Cl8 N16 Zn4 -","4","1","","Adams, Christopher J.; Kurawa, Mukhtar A.; Orpen, A. Guy","Coordination chemistry in the solid state: synthesis and interconversion of pyrazolium salts, pyrazole complexes, and pyrazolate MOFs.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","6974","6984","10.1039/c0dt00195c","","","0.71073","MoKα","","0.0227","0.0205","","","0.049","0.0498","","","","","","1.056","","","","has coordinates","179966","2020-10-21","18:00:00",""
"7026103","7.344","0.0006","16.0841","0.0013","21.1068","0.0017","90","","90","","90","","2493.2","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Au Cl N2 O2 P -","- C27 H23 Au Cl N2 O2 P -","- C108 H92 Au4 Cl4 N8 O8 P4 -","4","1","","Durran, Sean E.; Elsegood, Mark R. J.; Hammond, Shelly R.; Smith, Martin B.","Flexible kappa4-PNN'O-tetradentate ligands: synthesis, complexation and structural studies.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7136","7146","10.1039/c0dt00200c","","","0.71073","MoKα","","0.0357","0.0269","","","0.0536","0.0572","","","","","","1.05","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026115","9.4217","0.0005","11.0573","0.0005","28.4413","0.0013","90","","90","","90","","2963","0.2","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 B Cl3 F4 Fe O2 P -","- C30 H23 B Cl3 F4 Fe O2 P -","- C120 H92 B4 Cl12 F16 Fe4 O8 P4 -","4","1","","Hewison, Lindsay; Crook, Sian H.; Johnson, Tony R.; Mann, Brian E.; Adams, Harry; Plant, Sarah E.; Sawle, Philip; Motterlini, Roberto","Iron indenyl carbonyl compounds: CO-releasing molecules.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8967","8975","10.1039/c0dt00203h","","","0.71073","MoKα","","0.0274","0.0253","","","0.0611","0.0621","","","","","","1.029","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026152","11.9865","0.0003","13.2064","0.0004","17.4969","0.0005","90","","90","","90","","2769.73","0.13","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 Cu N4 -","- C33 H33 Cu N4 -","- C132 H132 Cu4 N16 -","4","1","","Oguadinma, Paul O.; Rodrigue-Witchel, Alexandre; Reber, Christian; Schaper, Frank","Intramolecular pi-stacking in copper(I) diketiminate phenanthroline complexes.","Dalton transactions (Cambridge, England : 2003)","2010","39","37","8759","8768","10.1039/c0dt00240b","","","1.54178","CuKα","","0.0442","0.0378","","","0.0955","0.0985","","","","","","1.037","","","","has coordinates,has disorder","179967","2020-10-21","18:00:00",""
"7026169","12.0516","0.0007","15.5157","0.0009","18.0946","0.001","90","","90","","90","","3383.5","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H53 N3 O2 Si2 Zn -","- C30 H53 N3 O2 Si2 Zn -","- C120 H212 N12 O8 Si8 Zn4 -","4","1","","Wang, Liying; Ma, Haiyan","Zinc complexes supported by multidentate aminophenolate ligands: synthesis, structure and catalysis in ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","7897","7910","10.1039/c0dt00250j","","","0.71073","MoKα","","0.0463","0.0412","","","0.0811","0.0829","","","","","","1.018","","","","has coordinates","179967","2020-10-21","18:00:00",""
"7026290","9.5874","0.0002","20.0334","0.0003","23.3478","0.0004","90","","90","","90","","4484.37","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H22 Cl2 N2 O2 Pd -","- C10 H22 Cl2 N2 O2 Pd -","- C120 H264 Cl24 N24 O24 Pd12 -","12","3","","Accadbled, Fabien; Tinant, Bernard; Hénon, Eric; Carrez, Danièle; Croisy, Alain; Bouquillon, Sandrine","Synthesis of chiral β-aminoalcohol palladium complexes exhibiting cytotoxic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8982","8993","10.1039/c0dt00328j","","","0.71073","MoKα","","0.0697","0.0321","","","0.0655","0.0743","","","","","","1.042","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026293","6.363","0.0002","9.0651","0.0002","34.8315","0.0009","90","","90","","90","","2009.12","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl2 N2 O2 Pd -","- C18 H26 Cl2 N2 O2 Pd -","- C72 H104 Cl8 N8 O8 Pd4 -","4","1","","Accadbled, Fabien; Tinant, Bernard; Hénon, Eric; Carrez, Danièle; Croisy, Alain; Bouquillon, Sandrine","Synthesis of chiral β-aminoalcohol palladium complexes exhibiting cytotoxic properties.","Dalton transactions (Cambridge, England : 2003)","2010","39","38","8982","8993","10.1039/c0dt00328j","","x-ray","0.71073","MoKα","","0.032","0.0317","","","0.0824","0.0825","","","","","","1.31","","","","has coordinates","179968","2020-10-21","18:00:00",""
"7026449","8.9016","0.0018","9.978","0.002","24.459","0.005","90","","90","","90","","2172.5","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 P2 -","- C23 H28 N2 P2 -","- C92 H112 N8 P8 -","4","1","","Aluri, Bhaskar Reddy; Peulecke, Normen; Peitz, Stephan; Spannenberg, Anke; Müller, Bernd H; Schulz, Stefan; Drexler, Hans-Joachim; Heller, Detlef; Al-Hazmi, Mohammed H; Mosa, Fuad M.; Wöhl, Anina; Müller, Wolfgang; Rosenthal, Uwe","Coordination chemistry of new selective ethylene trimerisation ligand Ph2PN(iPr)P(Ph)NH(R) (R = iPr, Et) and tests in catalysis.","Dalton transactions (Cambridge, England : 2003)","2010","39","34","7911","7920","10.1039/c0dt00440e","","","0.71073","MoKα","","0.0352","0.0297","","","0.0664","0.0677","","","","","","0.993","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026470","13.256","0.003","13.706","0.003","31.379","0.007","90","","90","","90","","5701","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H41 F6 Ir N5 O P -","- C46 H41 F6 Ir N5 O P -","- C184 H164 F24 Ir4 N20 O4 P4 -","4","1","","Zhao, Na; Wu, Yu-Hui; Shi, Lin-Xi; Lin, Qi-Pu; Chen, Zhong-Ning","A sensitive phosphorescent thiol chemosensor based on an iridium(III) complex with alpha,beta-unsaturated ketone functionalized 2,2'-bipyridyl ligand.","Dalton transactions (Cambridge, England : 2003)","2010","39","35","8288","8295","10.1039/c0dt00456a","","","0.71073","MoKα","","0.0762","0.0632","","","0.169","0.1831","","","","","","1.115","","","","has coordinates","179970","2020-10-21","18:00:00",""
"7026494","17.7735","0.001","19.9819","0.0011","21.8189","0.0017","90","","90","","90","","7748.9","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H114 Cu8 N32 O17 -","- C48 H114 Cu8 N32 O17 -","- C192 H456 Cu32 N128 O68 -","4","1","","Figiel, Paweł J; Kirillov, Alexander M.; Guedes da Silva, M Fátima C; Lasri, Jamal; Pombeiro, Armando J. L.","Self-assembled dicopper(II) diethanolaminate cores for mild aerobic and peroxidative oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9879","9888","10.1039/c0dt00472c","","","0.71073","MoKα","","0.0715","0.0479","","","0.106","0.1207","","","","","","0.849","","","","has coordinates,has disorder","179970","2020-10-21","18:00:00",""
"7026571","6.6449","0.0002","11.6187","0.0003","19.6379","0.0005","90","","90","","90","","1516.15","0.07","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl2 N Zr -","- C15 H17 Cl2 N Zr -","- C60 H68 Cl8 N4 Zr4 -","4","1","","Xu, Bao-Hua; Kehr, Gerald; Fröhlich, Roland; Nauha, Elisa; Erker, Gerhard","Zirconocene complexes bearing novel 3-dimethylamino-1,2-dihydropentalene derived ligand systems.","Dalton transactions (Cambridge, England : 2003)","2010","39","41","9973","9981","10.1039/c0dt00515k","","","0.71073","MoKα","","0.0397","0.0377","","","0.082","0.0837","","","","","","1.087","","","","has coordinates","179971","2020-10-21","18:00:00",""
"7026696","7.2638","0.0015","13.053","0.003","17.072","0.003","90","","90","","90","","1618.7","0.6","298","2","298","2","","","101.33","","","","","3","P 21 21 21","P 2ac 2ab","19","N-(2,4,6-trimethylphenyl)-N,N-(2,2'-dipyridyl)amine","N-(2,4,6-trimethylphenyl)-N,N-(2,2'-dipyridyl)amine","","- C19 H19 N3 -","- C19 H19 N3 -","- C76 H76 N12 -","4","1","","Allen, John J.; Hamilton, Christopher E.; Barron, Andrew R.","Synthesis and characterization of aryl substituted bis(2-pyridyl)amines and their copper olefin complexes: investigation of remote steric control over olefin binding.","Dalton transactions (Cambridge, England : 2003)","2010","39","47","11451","11468","10.1039/c0dt00608d","","x-ray","0.71073","MoKα","","0.1016","0.0444","","","0.1112","0.1418","","","","","","1.036","","","","has coordinates","179972","2020-10-21","18:00:00",""
"7026721","10.6747","0.0013","11.2454","0.0014","12.4003","0.0015","90","","90","","90","","1488.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N3 O2 -","- C16 H23 N3 O2 -","- C64 H92 N12 O8 -","4","1","","Heinz, Philipp; Puchberger, Michael; Bendova, Maria; Baumann, Stefan O.; Schubert, Ulrich","Clusters for alkyne-azide click reactions.","Dalton transactions (Cambridge, England : 2003)","2010","39","33","7640","7644","10.1039/c0dt00618a","","","0.71073","MoKα","","0.0572","0.0434","","","0.1017","0.108","","","","","","1.06","","","","has coordinates,has disorder","179973","2020-10-21","18:00:00",""
"7026728","15.96","0.001","20.93","0.001","24.13","0.001","90","","90","","90","","8060.5","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H101 Co N14 O26.4 P -","- C62 H86 Co N14 O26.396 P -","- C248 H344 Co4 N56 O105.584 P4 -","4","1","","Hassanin, Hanaa A.; El-Shahat, Mohamed F; DeBeer, Serena; Smith, Clyde A.; Brasch, Nicola E.","Redetermination of the X-ray structure of nitroxylcobalamin: base-on nitroxylcobalamin exhibits a remarkably long Co-N(dimethylbenzimidazole) bond distance.","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10626","10630","10.1039/c0dt00628a","","","0.79987","synchrotron","","0.0695","0.064","","","0.1804","0.1856","","","","","","1.035","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7026781","9.9279","0.0016","11.5719","0.0018","15.274","0.002","90","","90","","90","","1754.7","0.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O4 Ru2 -","- C19 H18 O4 Ru2 -","- C76 H72 O16 Ru8 -","4","1","","Boni, Adriano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Cationic diiron and diruthenium μ-allenyl complexes: synthesis, X-ray structures and cyclization reactions with ethyldiazoacetate/amine affording unprecedented butenolide- and furaniminium-substituted bridging carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10866","10875","10.1039/c0dt00697a","","","0.71073","MoKα","","0.0306","0.0296","","","0.0768","0.0774","","","","","","1.09","","","","has coordinates","179973","2020-10-21","18:00:00",""
"7026786","9.9707","0.0018","14.798","0.003","27.089","0.005","90","","90","","90","","3996.9","1.3","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H39 B Cl2 O3 Ru2 -","- C43 H39 B Cl2 O3 Ru2 -","- C172 H156 B4 Cl8 O12 Ru8 -","4","1","","Boni, Adriano; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Cationic diiron and diruthenium μ-allenyl complexes: synthesis, X-ray structures and cyclization reactions with ethyldiazoacetate/amine affording unprecedented butenolide- and furaniminium-substituted bridging carbene ligands.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","10866","10875","10.1039/c0dt00697a","","","0.71073","MoKα","","0.1503","0.0586","","","0.1135","0.1474","","","","","","1.035","","","","has coordinates,has disorder","179973","2020-10-21","18:00:00",""
"7026849","10.4854","0.0008","11.0707","0.0008","11.5937","0.0008","90","","90","","90","","1345.81","0.17","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 N2 Pb S2 -","- C8 H20 N2 Pb S2 -","- C32 H80 N8 Pb4 S8 -","4","1","","Khrustalev, Victor N.; Aysin, Rinat R.; Borisova, Irina V.; Peregudov, Alexander S.; Leites, Larissa A.; Zemlyansky, Nikolai N.","A new stable monomeric lead(ii) dithiolate Pb(SCH(2)CH(2)NMe(2))(2): an interplay between a dynamic ""flip-flop"" process in solution and conformational isomerism in the solid-state.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9480","9483","10.1039/c0dt00783h","","","0.71073","MoKα","","0.0582","0.0297","","","0.0545","0.0613","","","","","","1.006","","","","has coordinates,has disorder","179974","2020-10-21","18:00:00",""
"7026850","10.3938","0.0005","10.7759","0.0005","11.4619","0.0006","90","","90","","90","","1283.76","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 N2 Pb S2 -","- C8 H20 N2 Pb S2 -","- C32 H80 N8 Pb4 S8 -","4","1","","Khrustalev, Victor N.; Aysin, Rinat R.; Borisova, Irina V.; Peregudov, Alexander S.; Leites, Larissa A.; Zemlyansky, Nikolai N.","A new stable monomeric lead(ii) dithiolate Pb(SCH(2)CH(2)NMe(2))(2): an interplay between a dynamic ""flip-flop"" process in solution and conformational isomerism in the solid-state.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9480","9483","10.1039/c0dt00783h","","","0.71073","MoKα","","0.0239","0.0185","","","0.0365","0.0379","","","","","","0.936","","","","has coordinates","179974","2020-10-21","18:00:00",""
"7026851","10.541","0.011","11.148","0.012","11.645","0.012","90","","90","","90","","1368","2","333","2","333","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 N2 Pb S2 -","- C8 H20 N2 Pb S2 -","- C32 H80 N8 Pb4 S8 -","4","1","","Khrustalev, Victor N.; Aysin, Rinat R.; Borisova, Irina V.; Peregudov, Alexander S.; Leites, Larissa A.; Zemlyansky, Nikolai N.","A new stable monomeric lead(ii) dithiolate Pb(SCH(2)CH(2)NMe(2))(2): an interplay between a dynamic ""flip-flop"" process in solution and conformational isomerism in the solid-state.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9480","9483","10.1039/c0dt00783h","","","0.71073","MoKα","","0.0862","0.0452","","","0.1011","0.1192","","","","","","1.005","","","","has coordinates,has disorder","179974","2020-10-21","18:00:00",""
"7026897","11.9712","0.0016","15.996","0.002","19.958","0.003","90","","90","","90","","3821.8","0.9","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H47 B F4 Ir N2 P -","- C43 H47 B F4 Ir N2 P -","- C172 H188 B4 F16 Ir4 N8 P4 -","4","1","","Fawcett, John; Harding, Duncan A. J.; Hope, Eric G.; Singh, Kuldip; Solan, Gregory A.","Stabilisation of iridium(III) fluoride complexes with NHCs.","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10781","10789","10.1039/c0dt00857e","","","0.71073","MoKα","","0.037","0.031","","","0.0536","0.0551","","","","","","0.913","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7026900","10.8033","0.0018","15.976","0.003","16.117","0.003","90","","90","","90","","2781.7","0.9","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 B F4 Ir N3 O2 -","- C28 H29 B F4 Ir N3 O2 -","- C112 H116 B4 F16 Ir4 N12 O8 -","4","1","","Fawcett, John; Harding, Duncan A. J.; Hope, Eric G.; Singh, Kuldip; Solan, Gregory A.","Stabilisation of iridium(III) fluoride complexes with NHCs.","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10781","10789","10.1039/c0dt00857e","","","0.71073","MoKα","","0.0295","0.0258","","","0.0528","0.0535","","","","","","0.976","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7026928","8.7838","0.0002","14.7915","0.0003","18.3776","0.0003","90","","90","","90","","2387.72","0.08","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl3 N4 O Zn -","- C22 H31 Cl3 N4 O Zn -","- C88 H124 Cl12 N16 O4 Zn4 -","4","1","","Bazzicalupi, Carla; Bencini, Andrea; Ciattini, Samuele; Denat, Franck; Désogère, Pauline; Goze, Christine; Matera, Irene; Valtancoli, Barbara","Proton and metal binding by cyclen-based highly rigid cryptands.","Dalton transactions (Cambridge, England : 2003)","2010","39","48","11643","11653","10.1039/c0dt00948b","","","1.5418","CuKα","","0.0725","0.0441","","","0.0852","0.1076","","","","","","1.067","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7026933","18.81287","0.00015","22.75489","0.00019","23.7655","0.0002","90","","90","","90","","10173.7","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C104 H103.5 Cl4 Mn2 N8 O21.75 -","- C104 H102 Cl4 Mn2 N8 O21.75 -","- C416 H408 Cl16 Mn8 N32 O87 -","4","1","","Sham, Kiu-Chor; Yeung, Ho-Lun; Yiu, Shek-Man; Lau, Tai-Chu; Kwong, Hoi-Lun","New binuclear double-stranded manganese helicates as catalysts for alkene epoxidation.","Dalton transactions (Cambridge, England : 2003)","2010","39","40","9469","9471","10.1039/c0dt00953a","","","1.5418","CuKα","","0.0796","0.0612","","","0.1669","0.1799","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7026950","10.5053","0.0005","17.6658","0.0008","22.5701","0.0011","90","","90","","90","","4188.7","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H35 Cl2 F3 N5 O3 P S -","- C42 H35 Cl2 F3 N5 O3 P S -","- C168 H140 Cl8 F12 N20 O12 P4 S4 -","4","1","","Brazeau, Allison L.; Caputo, Christine A.; Martin, Caleb D.; Jones, Nathan D.; Ragogna, Paul J.","A new approach to internal Lewis pairs featuring a phosphenium acid and a pyridine base.","Dalton transactions (Cambridge, England : 2003)","2010","39","45","11069","11073","10.1039/c0dt01029d","","","0.71073","MoKα","","0.1015","0.0668","","","0.1756","0.1986","","","","","","1.055","","","","has coordinates,has disorder","179975","2020-10-21","18:00:00",""
"7026964","7.8101","0.0005","9.2801","0.0006","26.2554","0.0018","90","","90","","90","","1903","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 Sn -","- C22 H22 N2 Sn -","- C88 H88 N8 Sn4 -","4","1","","Dickschat, Julia V.; Urban, Slawomir; Pape, Tania; Glorius, Frank; Hahn, F. Ekkehardt","Sterically demanding and chiral N,N'-disubstituted N-heterocyclic germylenes and stannylenes.","Dalton transactions (Cambridge, England : 2003)","2010","39","48","11519","11521","10.1039/c0dt01233e","","","0.71073","MoKα","","0.0388","0.0307","","","0.0607","0.0637","","","","","","1.018","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7026983","15.199","0.003","16.372","0.004","37.318","0.013","90","","90","","90","","9286","4","120","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C103 H94 F12 N10 O12 Ru -","- C103 H86 F12 N10 O12 Ru -","- C412 H344 F48 N40 O48 Ru4 -","4","1","","Morice, Christophe; Le Maux, Paul; Simonneaux, Gérard; Toupet, Loic","Chiral recognition of amino esters by ruthenium porphyrin complexes and crystal structure of {5,10,15,20-tetrakis[o-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoylamino)phenyl]porphyrin}bis(L-valine methyl ester)ruthenium(II) (α,α,β,β isomer)","Journal of the Chemical Society, Dalton Transactions","1998","","24","4165","","10.1039/a804704i","","","0.71073","MoKα","","0.1108","0.0464","","","0.1041","0.1241","","","","","","1.006","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7026996","8.726","0.002","17.216","0.003","21.631","0.004","90","","90","","90","","3249.6","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H42 Ag2 Cu2 N11 O11 -","- C18 H42 Ag2 Cu2 N11 O11 -","- C72 H168 Ag8 Cu8 N44 O44 -","4","1","","Flörke, Ulrich; Haupt, Hans-Jürgen; Chaudhuri, Phalguni","A μ-hydroxy-μ-nitritodicopper(II) core embedded in a AgNO2 matrix: synthesis, structure and magnetism","Journal of the Chemical Society, Dalton Transactions","1998","","22","3801","","10.1039/a805104f","","","0.71073","MoKα","","0.1383","0.0717","","0.2013","0.1587","","","","1.046","1.117","1.117","","","","","has coordinates","179975","2020-10-21","18:00:00",""
"7027056","10.661","0.004","21.265","0.016","24.214","0.016","90","","90","","90","","5489","6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(orthometallated BINAP)hydridooctacarbonyltriosmium","","- C52 H32 O8 Os3 P2 -","- C52 H31 O8 Os3 P2 -","- C208 H124 O32 Os12 P8 -","4","1","","Deeming, Antony J.; Stchedroff, Marc","Trinuclear clusters of osmium containing monodentate, chelating and orthometallated forms of 2,2′-bis(diphenylphosphino)-1,1′-binaphthyl (BINAP)","Journal of the Chemical Society, Dalton Transactions","1998","","22","3819","","10.1039/a806430j","","","0.71073","MoKα","","0.1131","0.0891","","0.2727","0.2411","","","","1.075","1.115","1.115","","","","","has coordinates","179976","2020-10-21","18:00:00",""
"7027057","7.1959","0.0001","20.2757","0.0003","26.4499","0.0001","90","","90","","90","","3859.09","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,13-Dibromo-7,8-diethyl-5,10,15,20-tetraphenyl- porphyrin (orthorhombic modification)","","- C48 H36 Br2 N4 -","- C48 H36 Br2 N4 -","- C192 H144 Br8 N16 -","4","1","","Senge, Mathias O.; Gerstung, Vanessa; Ruhlandt-Senge, Karin; Runge, Steffen; Lehmann, Ingo","Non-planar porphyrins with mixed substituent pattern: bromination and formylation of ethyl-substituted tetraphenylporphyrins and tetraalkylporphyrins","Journal of the Chemical Society, Dalton Transactions","1998","","24","4187","","10.1039/a806460a","","","0.71073","MoKα","","0.0316","0.0275","","","0.0628","0.0646","","","","","","1.023","","","","has coordinates","179976","2020-10-21","18:00:00",""
"7027068","9.877","0.002","12.315","0.003","17.779","0.003","90","","90","","90","","2162.6","0.8","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H28 Br Cl N6 O9 V -","- C13 H28 Br Cl N6 O9 V -","- C52 H112 Br4 Cl4 N24 O36 V4 -","4","1","","Weyhermüller, Thomas; Weighardt, Karl; Chaudhuri, Phalguni","Nitrogen versus oxygen co-ordination of carboxamide-functionalized triazacyclononane ligands in transition metal ion complexes","Journal of the Chemical Society, Dalton Transactions","1998","","22","3805","","10.1039/a806466k","","","0.71073","MoKα","","0.0531","0.0362","","0.0724","0.067","","","","0.994","1.015","1.015","","","","","has coordinates","179976","2020-10-21","18:00:00",""
"7027069","11.886","0.001","16.362","0.002","11.335","0.001","90","","90","","90","","2204.4","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C13 H27 Cl Cr F6 N6 O4 P -","- C13 H27 Cl Cr F6 N6 O4 P -","- C52 H108 Cl4 Cr4 F24 N24 O16 P4 -","4","1","","Weyhermüller, Thomas; Weighardt, Karl; Chaudhuri, Phalguni","Nitrogen versus oxygen co-ordination of carboxamide-functionalized triazacyclononane ligands in transition metal ion complexes","Journal of the Chemical Society, Dalton Transactions","1998","","22","3805","","10.1039/a806466k","","","0.71073","MoKα","","0.0656","0.0439","","0.0932","0.0842","","","","1.071","1.089","1.089","","","","","has coordinates","179976","2020-10-21","18:00:00",""
"7027095","11.297","0.002","14.614","0.003","14.625","0.003","90","","90","","90","","2414.5","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-Bis-[ferrocen-1-ylcarbaldimino]ethane-dichlorozinc(II)","","- C24 H24 Cl2 Fe2 N2 Zn -","- C24 H24 Cl2 Fe2 N2 Zn -","- C96 H96 Cl8 Fe8 N8 Zn4 -","4","1","","Li, Peiyi; Scowen, Ian J.; Davies, John E.; Halcrow, Malcolm A.","Co-ordination chemistry of bis(ferrocenylcarbaldimine) Schiff bases","Journal of the Chemical Society, Dalton Transactions","1998","","22","3791","","10.1039/a806657d","","","0.71073","MoKα","","0.0383","0.0346","","","0.0844","0.0872","","","","","","1.046","","","","has coordinates,has disorder","179976","2020-10-21","18:00:00",""
"7027114","8.714","0.0009","13.3","0.004","37.939","0.006","90","","90","","90","","4397","1.6","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H65.58 B2 Cl0.42 F8 Mo2 O1.59 P6 -","- C28 H65.58 B2 Cl0.42 F8 Mo2 O1.58 P6 -","- C112 H262.32 B8 Cl1.68 F32 Mo8 O6.32 P24 -","4","1","","Fettinger, James C.; Kraatz, Heinz-Bernhard; Poli, Rinaldo; Quadrelli, E. Alessandra","Formation of organometallic hydroxo and oxo complexes by oxidation of transition metal hydrides in the presence of water. X-Ray structures of [CpMo(OH)(PMe3)3][BF4] and [CpMo(O)(PMe3)2][BF4]","Journal of the Chemical Society, Dalton Transactions","1999","","3","497","","10.1039/a807111j","","","0.71073","MoKα","","0.0807","0.0509","","0.1292","0.1139","","","","1.118","1.125","1.125","","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7027173","8.0144","0.0003","9.7028","0.0004","16.23","0.0007","90","","90","","90","","1262.08","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H15 Cu N3 O7 V2 -","- C4 H15 Cu N3 O7 V2 -","- C16 H60 Cu4 N12 O28 V8 -","4","1","","Zheng, Li-Min; Zhao, Jie-Shou; Lii, Kwang-Hwa; Zhang, Li-Yi; Liu, Yang; Xin, Xin-Quan","One- and two-dimensional materials containing vanadium oxide: structures and magnetic properties of Cu(dien)V2O6·H2O and Ni(dien)V2O6 (dien = diethylenetriamine) †","Journal of the Chemical Society, Dalton Transactions","1999","","6","939","","10.1039/a808839j","","","0.71073","MoKα","","0.0626","0.0369","","0.0737","0.0649","","","","0.987","1.002","1.002","","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7027184","7.2131","0.0004","10.595","0.002","11.664","0.004","90","","90","","90","","891.4","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dicloro-{3S-(R-methylamino)pyrrolidine}palladium(II)","","- C5 H12 Cl2 N2 Pd -","- C5 H12 Cl2 N2 Pd -","- C20 H48 Cl8 N8 Pd4 -","4","1","","Newman, Paul D.; Hursthouse, Michael B.; Malik, K. M. Abdul","Co-ordination chemistry of 3S-aminopyrrolidine and 3S-(methylamino)pyrrolidine: crystallisation of the two diastereomers of dichloro[3S-(R,S-methylamino)pyrrolidine]palladium(II)","Journal of the Chemical Society, Dalton Transactions","1999","","4","599","","10.1039/a808959k","","","0.71069","MoKα","","0.0234","0.0231","","0.0548","0.0544","","","","0.898","0.897","0.897","","","","","has coordinates","179977","2020-10-21","18:00:00",""
"7027218","8.997","0.001","10.348","0.002","16.26","0.003","90","","90","","90","","1513.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","sodium-cobalt methylene diphosphonate","Na2Co(O3PCH2PO3)*(H2O)","","- C H4 Co Na2 O7 P2 -","- C H4 Co Na2 O7 P2 -","- C8 H32 Co8 Na16 O56 P16 -","8","2","","Distler, Anne; Lohse, Douglas L.; Sevov, Slavi C.","Chains, planes, and tunnels of metal diphosphonates: synthesis, structure, and characterization of Na3Co(O3PCH2PO3)(OH), Na3Mg(O3PCH2PO3)F·H2O, Na2Co(O3PCH2PO3)·H2O, NaCo2(O3PCH2CH2CH2PO3)(OH), and Co2(O3PCH2PO3)(H2O)","Journal of the Chemical Society, Dalton Transactions","1999","","11","1805","","10.1039/a809671f","","","0.71073","MoKα","","0.026","0.0228","","0.0627","0.0593","","","","1.077","1.065","1.065","","","","","has coordinates","179978","2020-10-21","18:00:00",""
"7027230","12.274","0.001","12.684","0.001","8.611","0.001","90","","90","","90","","1340.6","0.2","423.2","","423.2","","","","","","","","CHCl~3~/hexane solution at -18oC","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 Br Mn O3 Se2 -","- C9 H12 Br Mn O3 Se2 -","- C36 H48 Br4 Mn4 O12 Se8 -","4","1","","Davies, Maxwell K.; Durrant, Marcus C.; Levason, William; Reid, Gillian; Richards, Raymond L.","Synthesis, spectroscopic and structural studies on transition metal carbonyl complexes of cyclic di- and tetra-selenoether ligands","Journal of the Chemical Society, Dalton Transactions","1999","","7","1077","","10.1039/a809853k","","","0.7107","MoKalpha","","","0.021","","","0.0223","","","","","1.461","1.461","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027231","12.302","0.002","12.726","0.001","8.656","0.002","90","","90.02","0.01","90","","1355.1","0.4","423.2","","423.2","","","","","","","","cooling a CHCl~3~/hexane mixture","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 Br O3 Re Se2 -","- C9 H12 Br O3 Re Se2 -","- C36 H48 Br4 O12 Re4 Se8 -","4","1","","Davies, Maxwell K.; Durrant, Marcus C.; Levason, William; Reid, Gillian; Richards, Raymond L.","Synthesis, spectroscopic and structural studies on transition metal carbonyl complexes of cyclic di- and tetra-selenoether ligands","Journal of the Chemical Society, Dalton Transactions","1999","","7","1077","","10.1039/a809853k","","","0.7107","MoKalpha","","","0.0325","","","0.0425","","","","","1.3","1.3","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027235","18.863","0.009","19.011","0.005","12.663","0.006","90","","90","","90","","4541","3","220","","220","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H54 Cl3 N10 O13.5 Zn2 -","- C39 H53 Cl3 N10 O17 Zn2 -","- C156 H212 Cl12 N40 O68 Zn8 -","4","1","","J. Brudenell, Suzanne; Spiccia, Leone; C. R. Hockless, David; R. T. Tiekink, Edward","Solution and solid state structures of binuclear zinc(II) complexes of bis(pentadentate) ligands derived from bis(1,4,7-triazacyclononane) macrocycles","Journal of the Chemical Society, Dalton Transactions","1999","","9","1475","","10.1039/a809946d","","","0.7107","MoKalpha","","","0.0715","","","0.0665","","","","","2.107","2.107","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027299","10.12","0.001","11.17","0.001","29.792","0.003","90","","90","","90","","3367.7","0.6","298.2","","298.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21.5 H10 O15 Os6 S3 -","- C25 H14 O15 Os6 S3 -","- C100 H56 O60 Os24 S12 -","4","1","","Leung, Kelvin Sze-Yin; Wong, Wing-Tak","Synthesis, structural characterization and reactivities of hexaosmium carbonyl clusters with six-membered cyclic thioether and thioxane ligands","Journal of the Chemical Society, Dalton Transactions","1999","","12","2077","","10.1039/a900808j","","","0.7107","MoKalpha","","","0.062","","","0.0499","","","","","1.554","1.554","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027336","5.21","0.001","12.693","0.001","15.518","0.001","90","","90","","90","","1026.2","0.2","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H14 Co N2 O8 P2 -","- C3 H14 Co N2 O8 P2 -","- C12 H56 Co4 N8 O32 P8 -","4","1","","Cowley, Andrew R.; Chippindale, Ann M.","Synthesis and characterisation of the first unidimensional cobalt hydrogen phosphate, [H3N(CH2)3NH3][Co(HPO4)2]","Journal of the Chemical Society, Dalton Transactions","1999","","13","2147","","10.1039/a901469a","","","0.71069","MoKα","","","0.0324","","","0.037","","","","","1.1387","1.1387","","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7027337","16.3","0.007","23.398","0.005","15.791","0.003","90","","90","","90","","6022","3","296.2","","296.2","","","","","","","","[Zn(D-GlcN-en)2]X2","6","P 21 21 21","P 2ac 2ab","19","","","","- C16.5 H39.5 Cl2 N6 O11.25 Zn -","- C16.5 H32 Cl2 N6 O11.25 Zn -","- C132 H256 Cl16 N48 O90 Zn8 -","8","2","","Yano, Shigenobu; Inoue, Sahoko; Yasuda, Yukiko; Tanase, Tomoaki; Mikata, Yuji; Kakuchi, Toyoji; Tsubomura, Taro; Yamasaki, Mikio; Kinoshita, Isamu; Doe, Matsumi","First synthesis and characterization of zinc(II) complexes containing N-glycosides derived from ethylenediamine and D-glucosamine","Journal of the Chemical Society, Dalton Transactions","1999","","11","1851","","10.1039/a901475f","","","1.5418","CuKα","","0.0504","0.0504","","0.0916","0.0774","0.0774","","","1.252","","","1.253","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027351","8.508","0.002","20.73","0.003","7.062","0.001","90","","90","","90","","1245.5","0.4","293.2","","293.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 B N6 Na O -","- C9 H12 B N6 Na O -","- C36 H48 B4 N24 Na4 O4 -","4","1","","Reglinski, John; Garner, Mark; Cassidy, Iain D.; Slavin, Paul A.; Spicer, Mark D.; Armstrong, David R.","Sodium hydrotris(methimazolyl)borate, a novel soft, tridentate ligand: preparation, structure and comparisons with sodium hydrotris(pyrazolyl)borate †","Journal of the Chemical Society, Dalton Transactions","1999","","13","2119","","10.1039/a901703h","","","0.7107","MoKalpha","","","0.0455","","","0.0432","","","","","1.618","1.618","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027444","10.7699","0.001","11.6826","0.001","19.751","0.002","90","","90","","90","","2485.1","0.4","150","2","150","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 B2 Cl2 F8 Fe2 N O S2 -","- C16 H21 B2 Cl2 F8 Fe2 N O S2 -","- C64 H84 B8 Cl8 F32 Fe8 N4 O4 S8 -","4","1","","Madec, Pascale; Muir, Kenneth W.; Pétillon, François Y.; Rumin, René; Scaon, Yannick; Schollhammer, Philippe; Talarmin, Jean","Generation of substrate-binding sites by electrochemical reduction of cis-[Fe2(cp)2(μ-SMe)2(MeCN)(L)]2+ (L = CO or MeCN). Reactivity of the sites toward CO and tBuNC. Crystal structure of [Fe2(cp)2(μ-SMe)2(CO)(MeCN)][BF4]2·CH2Cl2","Journal of the Chemical Society, Dalton Transactions","1999","","14","2371","","10.1039/a902793i","","","0.6915","synchrotron","","0.0346","0.0325","","","0.086","0.0873","","","","","","0.992","","","","has coordinates","179980","2020-10-21","18:00:00",""
"7027602","19.66","0.01","20.414","0.007","10.185","0.004","90","","90","","90","","4088","3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 Li3 N3 -","- C48 H54 Li3 N3 -","- C192 H216 Li12 N12 -","4","1","","Armstrong, David R.; Henderson, Kenneth W.; Kennedy, Alan R.; Kerr, William J.; Mair, Francis S.; Moir, Jennifer H.; Moran, Paul H.; Snaith, Ronald","Structural studies of the chiral lithium amides [{PhC(H)Me}2NLi] and [PhCH2{PhC(H)Me}NLi·THF] derived from α-methylbenzylamine †","Journal of the Chemical Society, Dalton Transactions","1999","","22","4063","","10.1039/a904725e","","","0.7107","MoKalpha","","0.1116","0.0703","","0.0864","0.0754","","","","","1.913","1.913","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027603","16.55","0.005","19.729","0.005","10.455","0.0013","90","","90","","90","","3413.7","1.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 Li2 N2 O2 -","- C38 H47 Li2 N2 O2 -","- C152 H188 Li8 N8 O8 -","4","1","","Armstrong, David R.; Henderson, Kenneth W.; Kennedy, Alan R.; Kerr, William J.; Mair, Francis S.; Moir, Jennifer H.; Moran, Paul H.; Snaith, Ronald","Structural studies of the chiral lithium amides [{PhC(H)Me}2NLi] and [PhCH2{PhC(H)Me}NLi·THF] derived from α-methylbenzylamine †","Journal of the Chemical Society, Dalton Transactions","1999","","22","4063","","10.1039/a904725e","","","0.71069","MoKα","","0.1747","0.0654","","","0.1711","0.2136","","","","","","1.045","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7027628","13.4562","0.0007","15.6233","0.0012","16.9319","0.001","90","","90","","90","","3559.6","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tris(dimethylamido)-η^5^-2,3-dicarbaundecaborane(11) niobium(V)","","- C8 H29 B9 N3 Nb -","- C8 H29 B9 N3 Nb -","- C64 H232 B72 N24 Nb8 -","8","2","","Batsanov, Andrei S.; Churakov, Andrei V.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Kingsley, Andrew J.; Neretin, Ivan S.; Wade, Ken","Transition metal dicarbollide complexes: synthesis, molecular, crystal and electronic structures of [M(C2B9H11)(NMe2)3] (M = Nb or Ta) and their insertion reactions with CO2 and CS2 †","Journal of the Chemical Society, Dalton Transactions","1999","","21","3867","","10.1039/a905075b","","","0.71073","MoKα","","0.0581","0.0362","","0.0757","0.0625","","","","1.172","1.109","1.109","","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7027629","13.484","0.001","15.472","0.001","17.042","0.001","90","","90","","90","","3555.4","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tris(dimethylamido)-η^5^-2,3-dicarbaundecaborane(11) tantalum(V)","","- C8 H29 B9 N3 Ta -","- C8 H29 B9 N3 Ta -","- C64 H232 B72 N24 Ta8 -","8","2","","Batsanov, Andrei S.; Churakov, Andrei V.; Howard, Judith A. K.; Hughes, Andrew K.; Johnson, Andrew L.; Kingsley, Andrew J.; Neretin, Ivan S.; Wade, Ken","Transition metal dicarbollide complexes: synthesis, molecular, crystal and electronic structures of [M(C2B9H11)(NMe2)3] (M = Nb or Ta) and their insertion reactions with CO2 and CS2 †","Journal of the Chemical Society, Dalton Transactions","1999","","21","3867","","10.1039/a905075b","","","0.71073","MoKα","","0.0375","0.0284","","0.0687","0.0621","","","","1.083","1.049","1.049","","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7027673","7.66","0.004","19.209","0.003","7.265","0.004","90","","90","","90","","1069","0.8","493.2","","493.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 Cu N4 O4 -","- C6 H16 Cu N4 O4 -","- C24 H64 Cu4 N16 O16 -","4","1","","Comba, Peter; Gavrish, Sergey P.; Lampeka, Yaroslaw D.; Lightfoot, Philip; Peters, Alexander","Dimerization of a copper(II) compound with a tetradentate diaminodiamide ligand †","Journal of the Chemical Society, Dalton Transactions","1999","","22","4099","","10.1039/a905437e","","","0.7107","MoKalpha","","","0.0438","","","0.0511","","","","","2.478","2.478","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027695","11.846","0.002","19.816","0.002","11.089","0.002","90","","90","","90","","2603","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H40 B16 N2 Ru -","- C14 H40 B16 N2 Ru -","- C56 H160 B64 N8 Ru4 -","4","1","","Grüner, Bohumír; Teixidor, Francesc; Viñas, Clara; Sillanpää, Reijo; Kivekäs, Raikko; Štíbr, Bohumil","Ferratricarbollide design for molecular assemblies: complexes [9,9′-(ButHN)2-commo-2,2′-M-closo-1,7,9-(C3B8H10)-1′,7′,9′-(C3B8H10)] (where M = Fe or Ru), the first examples of double-cluster metallatricarbollides †","Journal of the Chemical Society, Dalton Transactions","1999","","19","3337","","10.1039/a905606h","","","0.71069","MoKα","","0.0396","0.0302","","","0.0762","0.0813","","","","","","1.041","","","","has coordinates","179982","2020-10-21","18:00:00",""
"7027709","12.571","0.001","22.5546","0.0003","26.4894","0.0003","90","","90","","90","","7510.6","0.6","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C146 H170 Cl16 O9 P4 Pt2 -","- C146 H152 Cl16 O9 P4 Pt2 -","- C292 H304 Cl32 O18 P8 Pt4 -","2","0.5","","Dieleman, Cedric B.; Marsol, Claire; Matt, Dominique; Kyritsakas, Nathalie; Harriman, Anthony; Kintzinger, Jean-Pierre","Co-ordination chemistry of macrocyclic compounds with dangling phosphines. Unusual NMR shifts in metallo-calix[4]arenes †","Journal of the Chemical Society, Dalton Transactions","1999","","23","4139","","10.1039/a905814a","","","0.71073","Mo-Kα","","0.068","0.05","","0.371","","0.068","","","5.859","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7027723","12.574","0.002","16.1199","0.0013","18.8859","0.0015","90","","90","","90","","3828","0.7","293","2","570","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 Fe3 O6 P3 S -","- C38 H31 Fe3 O6 P3 S -","- C152 H124 Fe12 O24 P12 S4 -","4","1","","Choi, Nick; Conole, Gráinne; Kessler, Margalith; King, Jason D.; Mays, Martin J.; McPartlin, Mary; Pateman, Giles E.; Solan, Gregory A.","Synthesis of a sulfido-capped triiron cluster with bridging phosphido ligands and its reactions with alkynes, phosphites and phosphines †","Journal of the Chemical Society, Dalton Transactions","1999","","22","3941","","10.1039/a905931h","","","0.71073","MoKα","","0.0818","0.0473","","","0.076","0.0893","","","","","","1.016","","","","has coordinates","179983","2020-10-21","18:00:00",""
"7027748","8.726","0.0005","10.5384","0.0006","34.657","0.002","90","","90","","90","","3187","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 Cd Cl2 N6 O10 -","- C27 H32 Cd Cl2 N6 O10 -","- C108 H128 Cd4 Cl8 N24 O40 -","4","1","","Adams, Harry; Bastida, Rufina; Fenton, David E.; Macías, Alejandro; Spey, Sharon E.; Valencia, Laura","Zinc and cadmium complexes of an 18-membered N4O2 oxaaza-Schiff base macrocycle and the corresponding reduced form †","Journal of the Chemical Society, Dalton Transactions","1999","","23","4131","","10.1039/a906372b","","","0.71073","MoKα","","0.043","0.0349","","","0.0731","0.0826","","","","","","0.994","","","","has coordinates,has disorder","179983","2020-10-21","18:00:00",""
"7027760","9.89","0.002","16.46","0.003","19.921","0.004","90","","90","","90","","3242.9","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 Cl4 N4 O2 Re -","- C24 H44 Cl4 N4 O2 Re -","- C96 H176 Cl16 N16 O8 Re4 -","4","1","","Wagner, Gabriele; Pombeiro, Armando J. L.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.","Facile rhenium(IV)-mediated coupling of acetonitrile and oximes †","Journal of the Chemical Society, Dalton Transactions","1999","","22","4083","","10.1039/a906455i","","","0.71073","MoKα","","0.0292","0.0292","","","0.0743","0.0743","","","","","","1.033","","","","has coordinates","179983","2020-10-21","18:00:00",""
"7027833","10.8555","0.002","16.5218","0.0012","20.4527","0.002","90","","90","","90","","3668.2","0.8","293","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H25 O11 P Ru4 W -","- C35 H25 O11 P Ru4 W -","- C140 H100 O44 P4 Ru16 W4 -","4","1","","Tseng, Wen-Cheng; Chi, Yun; Su, Chi-Jung; Carty, Arthur J.; Peng, Shie-Ming; Lee, Gene-Hsiang","Synthesis and skeletal isomerization of the phosphinidene acetylide cluster complexes [Ru4(CO)10(μ4-PPh)(CCPh){WL(CO)}] where L = C5Me5 or C5H5","Journal of the Chemical Society, Dalton Transactions","1998","","6","1053","","10.1039/a708030a","","","0.71073","MolybdenumKα","","0.049","0.03","","0.032","0.03","","","","","1.08","1.08","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7027835","9.0355","0.0008","16.9385","0.0015","22.382","0.002","90","","90","","90","","3425.5","0.5","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","bis(dimethyl-L-tartrate)diboron","","- C12 H16 B2 O12 -","- C12 H16 B2 O12 -","- C96 H128 B16 O96 -","8","2","","Clegg, William; Johann, Thorsten R. F.; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Peakman, Torren M.; Quayle, Michael J.; Rice, Craig R.; Scott, Andrew J.","Platinum-catalysed 1,4-diboration of 1,3-dienes","Journal of the Chemical Society, Dalton Transactions","1998","","9","1431","","10.1039/a800108a","","","0.71073","MoKα","","0.0702","0.0512","","0.1206","0.1119","","","","1.023","1.08","1.08","","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027836","9.6718","0.0012","11.8885","0.0012","26.482","0.005","90","","90","","90","","3045","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","bis(phenylethane 1,2-diol)diboron","","- C16 H16 B2 O4 -","- C16 H16 B2 O4 -","- C128 H128 B16 O32 -","8","2","","Clegg, William; Johann, Thorsten R. F.; Marder, Todd B.; Norman, Nicholas C.; Orpen, A. Guy; Peakman, Torren M.; Quayle, Michael J.; Rice, Craig R.; Scott, Andrew J.","Platinum-catalysed 1,4-diboration of 1,3-dienes","Journal of the Chemical Society, Dalton Transactions","1998","","9","1431","","10.1039/a800108a","","","0.71073","MoKα","","0.0648","0.0382","","0.0824","0.0736","","","","0.915","0.981","0.981","","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027853","7.989","0.002","8.77","0.002","13.362","0.002","90","","90","","90","","936.2","0.3","303","2","303","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Li O6 Si -","- C6 H13 Li O6 Si -","- C24 H52 Li4 O24 Si4 -","4","1","","Donhärl, Wolfgang; Elhofer, Ines; Wiede, Petra; Schubert, Ulrich","Elemental silicon and solid SiO give the same products as SiO2 upon reaction with alkali-metal glycolates","Journal of the Chemical Society, Dalton Transactions","1998","","15","2445","","10.1039/a803672a","","","0.71073","MoKα","","0.0263","0.0224","","0.0532","0.0518","","","","1.078","1.094","1.094","","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027859","6.9549","0.0012","15.977","0.003","19.698","0.004","90","","90","","90","","2188.8","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Ag N8 O3 -","- C21 H21 Ag N8 O3 -","- C84 H84 Ag4 N32 O12 -","4","1","","Mann, Karen L. V.; Jeffery, John C.; McCleverty, Jon A.; Ward, Michael D.","Synthesis and co-ordination chemistry of the tetradentate chelating ligand 1,3-bis[3-(2-pyridyl)pyrazol-1-yl]propane: crystal structures of complexes with FeII, CuII, ZnII, AgI and PbII","Journal of the Chemical Society, Dalton Transactions","1998","","18","3029","","10.1039/a804501a","","","0.71073","MoKα","","0.0493","0.0315","","0.0606","0.0552","","","","0.949","0.971","0.971","","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027894","13.518","0.003","25.105","0.005","10.797","0.002","90","","90","","90","","3664.2","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 Cl2 N2 O2 Pd2 -","- C36 H47 Cl2 N2 O2 Pd2 -","- C144 H188 Cl8 N8 O8 Pd8 -","4","1","","Zhao, Gang; Wang, Qi-Guang; Mak, Thomas C. W.","Optically active cyclopalladated derivatives of arylimines. Crystal structures of (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)CHCH2CH2CHC(Me)2CHCH2](μ-X)}2] (X = Cl or Br), (+)-[Pd{p-MeOC6H3CHNCH2-(1S,2R,5S )-CHCH2CH2CHC(Me)2CHCH2}Cl(PPh3)] and (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)-CHCH2CH2CHC(Me)2CHCH2]Cl}2{Fe(δ5-C5H4PPh2)2}]","Journal of the Chemical Society, Dalton Transactions","1998","","7","1241","","10.1039/a708407b","","","0.71073","MoKα","","0.0404","0.0378","","0.1056","0.0996","","","","1.044","0.993","0.993","","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027895","13.548","0.003","24.965","0.005","10.945","0.002","90","","90","","90","","3701.9","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 Br2 N2 O2 Pd2 -","- C36 H48 Br2 N2 O2 Pd2 -","- C144 H192 Br8 N8 O8 Pd8 -","4","1","","Zhao, Gang; Wang, Qi-Guang; Mak, Thomas C. W.","Optically active cyclopalladated derivatives of arylimines. Crystal structures of (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)CHCH2CH2CHC(Me)2CHCH2](μ-X)}2] (X = Cl or Br), (+)-[Pd{p-MeOC6H3CHNCH2-(1S,2R,5S )-CHCH2CH2CHC(Me)2CHCH2}Cl(PPh3)] and (+)-[{Pd[p-MeOC6H3CHNCH2-(1S,2R,5S)-CHCH2CH2CHC(Me)2CHCH2]Cl}2{Fe(δ5-C5H4PPh2)2}]","Journal of the Chemical Society, Dalton Transactions","1998","","7","1241","","10.1039/a708407b","","","0.71073","MoKα","","0.064","0.0607","","0.174","0.1695","","","","1.026","1.036","1.036","","","","","has coordinates","179984","2020-10-21","18:00:00",""
"7027905","12.6377","0.0005","15.6545","0.0006","28.4325","0.0011","90","","90","","90","","5625","0.4","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C52 H52 F6 N2 Ni O9 P2 S2 -","- C52 H52 F6 N2 Ni O9 P2 S2 -","- C208 H208 F24 N8 Ni4 O36 P8 S8 -","4","1","","Bray, Katharine L.; Butts, Craig P.; Lloyd-Jones, Guy C.; Murray, Martin","Perfect complementarity in the fitting of two homochiral heterodonor ligands around a nickel(II) centre: an ‘intramolecular embrace’","Journal of the Chemical Society, Dalton Transactions","1998","","9","1421","","10.1039/a801170b","","","0.71073","MoKα","","0.1673","0.0647","","0.1172","0.0885","","","","1.01","1.097","1.097","","","","","has coordinates","179985","2020-10-21","18:00:00",""
"7027914","11.788","0.001","18.285","0.002","8.264","0.0007","90","","90","","90","","1781.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O4 W -","- C18 H22 N2 O4 W -","- C72 H88 N8 O16 W4 -","4","1","","Wong, Yee-Lok; Yan, Yan; Chan, Edith S. H.; Yang, Qingchuan; Mak, Thomas C. W.; Ng, Dennis K. P.","cis-Dioxo-tungsten(VI) and -molybdenum(VI) complexes with N2O2 tetradentate ligands: synthesis, structure, electrochemistry and oxo-transfer properties","Journal of the Chemical Society, Dalton Transactions","1998","","18","3057","","10.1039/a804425b","","","0.71073","MoKα","","0.0598","0.057","","0.1465","0.1421","","","","1.066","1.065","1.065","","","","","has coordinates","179985","2020-10-21","18:00:00",""
"7027967","10.3219","0.0006","12.9165","0.0007","15.9291","0.0008","90","","90","","90","","2123.7","0.2","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H37 B9 N Rh -","- C14 H37 B9 N Rh -","- C56 H148 B36 N4 Rh4 -","4","1","","Dörfler, Udo; Clegg, William; Kennedy, John D.; Thornton-Pett, Mark","Polyhedral azaborane chemistry. Nitrogen-vertex incorporation in metallaazaborane formation from 4-(NHEt2)B9H13. Two isomers of [(η5-C5Me5)RhB9H12(NEt2)]","Journal of the Chemical Society, Dalton Transactions","1998","","14","2353","","10.1039/a801547c","","","0.71073","MoKα","","0.018","0.0171","","0.0415","0.0409","","","","1.062","1.058","1.058","","","","","has coordinates","179985","2020-10-21","18:00:00",""
"7027983","8.718","0.002","14.026","0.003","33.224","0.007","90","","90","","90","","4062.6","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H6 O11 Os3 Ru -","- C16 H5 O11 Os3 Ru -","- C128 H40 O88 Os24 Ru8 -","8","2","","Buntem, Radchada; Lewis, Jack; Morewood, Catherine A.; Raithby, Paul R.; Ramirez de Arellano, M. Carmen; Shields, Gregory P.","Use of the monocationic fragment [Ru(η5-C5H5)(MeCN)3]+ as a capping reagent in the synthesis of mixed-metal clusters: synthesis and structural characterisation of [Os3RuH(CO)11(η5-C5H5)] and [Os3Ru2(CO)9(μ3-CO)2(η5-C5H5)2]","Journal of the Chemical Society, Dalton Transactions","1998","","7","1091","","10.1039/a708714d","","","0.71073","MoKα","","0.0732","0.0546","","0.1503","0.1261","","","","1.048","1.032","1.032","","","","","has coordinates","179985","2020-10-21","18:00:00",""
"7027985","13.52","0.006","14.23","0.01","12.914","0.004","90","","90","","90","","2485","2","294.2","","294","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl2 N8 O13 Pt -","- C14 H23 Cl2 N8 O13 Pt -","- C56 H92 Cl8 N32 O52 Pt4 -","4","1","","Arpalahti, Jorma; Klika, Karel D.; Sillanpää, Reijo; Kivekäs, Raikko","Dynamic processes in platinum(II)‒adenosine complexes. Preparation, NMR spectroscopic characterisation and crystal structure of isomeric PtII(dien)‒adenosine complexes","Journal of the Chemical Society, Dalton Transactions","1998","","8","1397","","10.1039/a708955d","","","0.7107","MoKα","","","0.0542","","","","0.0395","","","","","","1.96","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028006","14.222","0.003","16.514","0.003","10.959","0.003","90","","90","","90","","2573.9","1","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C13 H31 B10 I Mo N2 O S2 -","- C13 H31 B10 I Mo N2 O S2 -","- C52 H124 B40 I4 Mo4 N8 O4 S8 -","4","1","","McKinney, James D.; Chen, Hongli; Hamor, Thomas A.; Paxton, Keith; Jones, Christopher J.","Transition metal complexes containing the 1,2-dicarba-closo-dodecaborane-1,2-dithiolate ligand: crystal structures of [4-MeC5H4NMe]2[Pd(S2C2B10H10)I2], [NEt3H][Mo(η5-C5H5)(NO)(S2C2B10H10)I], [NBu4][Re(O)(S2C2B10H10)2] and [4-MeC5H4NMe]2[{Mo(O)(μ-O)(S2C2B10H10)}2]","Journal of the Chemical Society, Dalton Transactions","1998","","13","2163","","10.1039/a802446d","","","0.7107","MoKa","","0.0533","0.0494","","0.0869","0.0853","","","","1.181","1.183","1.183","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028030","10.178","0.004","17.68","0.006","20.254","0.007","90","","90","","90","","3645","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H35 Cl N3 P2 Re -","- C42 Cl N3 P2 Re -","- C168 Cl4 N12 P8 Re4 -","4","1","","Refosco, Fiorenzo; Bolzati, Cristina; Tisato, Francesco; Bandoli, Giuliano","Syntheses and structural characterizations of phenylimidorhenium(V) complexes containing bi- or tetra-dentate phosphinoamido ligands","Journal of the Chemical Society, Dalton Transactions","1998","","6","923","","10.1039/a707330e","","","0.71073","MoKα","","0.0585","0.0439","","0.112","0.106","","","","0.779","0.841","0.841","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028043","14.824","0.009","14.967","0.006","13.937","0.005","90","","90","","90","","3092","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 B2 Cu2 F8 N6 O4 -","- C22 H35 B2 Cu2 F8 N6 O4 -","- C88 H140 B8 Cu8 F32 N24 O16 -","4","1","","Boxwell, Clive J.; Bhalla, Rajiv; Cronin, Leroy; Turner, Scott S.; Walton, Paul H.","Self-assembly preparation, structure and magnetic studies of a novel dinuclear copper(II) complex: [Cu2(μ-OH)(μ-OAc)(μ-L)][BF4]2 [L = bis-1,3-(cis,cis-1,3,5-triaminocyclohexane)xylylidiene]","Journal of the Chemical Society, Dalton Transactions","1998","","15","2449","","10.1039/a803796e","","","0.71069","MoKα","","0.1214","0.053","","0.1505","0.1247","","","","1.03","1.143","1.143","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028050","15.908","0.004","22.077","0.006","13.204","0.006","90","","90","","90","","4637","3","290.2","","290.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H60 B2 N8 P2 Ru -","- C45 H60 B2 N8 P2 Ru -","- C180 H240 B8 N32 P8 Ru4 -","4","1","","Tenorio, Miguel A. Jiménez; Jiménez Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Neutral and cationic ruthenium hydrotris(pyrazolyl)borate derivatives containing bulky monodentate phosphines. Crystal structures of [RuTp(H2O)(PPri2Me)2][CF3SO3]·EtOH and [RuTp(N2)(PEt3)2][BPh4]","Journal of the Chemical Society, Dalton Transactions","1998","","21","3601","","10.1039/a804866e","","","0.7107","MoKalpha","","","0.0658","","","0.0768","","","","","2.245","2.245","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7028052","8.296","0.002","13.865","0.003","15.585","0.003","90","","90","","90","","1792.6","0.7","293","2","293","2","","","","","","","synthesized","7","P 21 21 21","P 2ac 2ab","19","(+)-(Rp,S)-4","","","- C17 H21 Br Fe N2 O Pd -","- C17 H21 Br Fe N2 O Pd -","- C68 H84 Br4 Fe4 N8 O4 Pd4 -","4","1","","Zhao, Gang; Wang, Qi-Guang; Mak, Thomas C. W.","Enantiopure planar chiral monomers and di-μ-bromo-bridged dimers of ferrocenylhydrazones from asymmetric cyclopalladation","Journal of the Chemical Society, Dalton Transactions","1998","","22","3785","","10.1039/a806052e","","","0.71073","MoKα","","0.0393","0.0377","","0.0911","0.0899","","","","1.037","1.042","1.042","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028054","10.651","0.002","13.215","0.003","34.58","0.007","90","","90","","90","","4867.2","1.7","293","2","293","2","","","","","","","synthesized","7","P 21 21 21","P 2ac 2ab","19","syn-(-)-(Sp,S,S,Sp)-5","","","- C48 H58 Br2 Fe2 N4 O2 Pd2 -","- C48 H58 Br2 Fe2 N4 O2 Pd2 -","- C192 H232 Br8 Fe8 N16 O8 Pd8 -","4","1","","Zhao, Gang; Wang, Qi-Guang; Mak, Thomas C. W.","Enantiopure planar chiral monomers and di-μ-bromo-bridged dimers of ferrocenylhydrazones from asymmetric cyclopalladation","Journal of the Chemical Society, Dalton Transactions","1998","","22","3785","","10.1039/a806052e","","","0.71073","MoKα","","0.1049","0.0958","","0.259","0.2468","","","","1.067","1.082","1.082","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028055","8.294","0.001","13.852","0.001","15.567","0.002","90","","90","","90","","1788.5","0.3","293","2","293","2","","","","","","","synthesized","7","P 21 21 21","P 2ac 2ab","19","(-)-(Sp,R)-4","","","- C17 H21 Br Fe N2 O Pd -","- C17 H21 Br Fe N2 O Pd -","- C68 H84 Br4 Fe4 N8 O4 Pd4 -","4","1","","Zhao, Gang; Wang, Qi-Guang; Mak, Thomas C. W.","Enantiopure planar chiral monomers and di-μ-bromo-bridged dimers of ferrocenylhydrazones from asymmetric cyclopalladation","Journal of the Chemical Society, Dalton Transactions","1998","","22","3785","","10.1039/a806052e","","","0.71073","MoKα","","0.0584","0.0498","","0.1162","0.1117","","","","1.071","1.083","1.083","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028056","10.654","0.002","13.156","0.003","34.577","0.007","90","","90","","90","","4846.5","1.7","293","2","293","2","","","","","","","synthesized","7","P 21 21 21","P 2ac 2ab","19","syn-(+)-(Rp,R,R,Rp)-5","","","- C48 H58 Br2 Fe2 N4 O2 Pd2 -","- C48 H58 Br2 Fe2 N4 O2 Pd2 -","- C192 H232 Br8 Fe8 N16 O8 Pd8 -","4","1","","Zhao, Gang; Wang, Qi-Guang; Mak, Thomas C. W.","Enantiopure planar chiral monomers and di-μ-bromo-bridged dimers of ferrocenylhydrazones from asymmetric cyclopalladation","Journal of the Chemical Society, Dalton Transactions","1998","","22","3785","","10.1039/a806052e","","","0.71073","MoKα","","0.0727","0.0615","","0.1467","0.1387","","","","1.046","1.066","1.066","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028086","11.308","0.002","11.867","0.003","32.999","0.006","90","","90","","90","","4428.2","1.6","160","2","160","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H56 N2 O4 P2 W -","- C49 H56 N2 O4 P2 W -","- C196 H224 N8 O16 P8 W4 -","4","1","","Shaw, Bernard L.; Iranpoor, Nasser; Perera, Sarath D.; Thornton-Pett, Mark; Vessey, Jonathan D.","Complexes of the (1R)-(+)-camphor azine diphosphines Z,Z-3,3′-Ph2PnC10H15N‒NC10H15PxPh2 and Z,Z-3,3′-Ph2PxC10H15N‒N C10H15PxPh2 (x = exo, n = endo) with Group 6 metal carbonyls: crystal structures of the ligands and fac-[W(CO)3(E,Z-Ph2PxC10H15 N‒NC10H15PxPh2)]","Journal of the Chemical Society, Dalton Transactions","1998","","11","1885","","10.1039/a801585f","","","0.71069","MoKα","","0.0293","0.0226","","0.0561","0.0512","","","","1.015","1.018","1.018","","","","","has coordinates","179986","2020-10-21","18:00:00",""
"7028106","5.93","0.004","11.709","0.004","21.75","0.004","90","","90","","90","","1510.2","1.2","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 N2 O5 Re S2 -","- C10 H19 N2 O5 Re S2 -","- C40 H76 N8 O20 Re4 S8 -","4","1","","Kirsch, Sylvia; Noll, Bernhard; Spies, Hartmut; Leibnitz, Peter; Scheller, Dieter; Krueger, Torsten; Johannsen, Bernd","Preparation and structural studies of neutral oxorhenium(V) complexes with D-penicillamine methyl ester","Journal of the Chemical Society, Dalton Transactions","1998","","3","455","","10.1039/a706127g","","","0.71073","MoKα","","0.0316","0.0299","","0.0768","0.0754","","","","1.131","1.128","1.128","","","","","has coordinates","179987","2020-10-21","18:00:00",""
"7028107","6.085","0.002","13.88","0.004","19.702","0.003","90","","90","","90","","1664","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H21 N2 O5 Re S2 -","- C11 H21 N2 O5 Re S2 -","- C44 H84 N8 O20 Re4 S8 -","4","1","","Kirsch, Sylvia; Noll, Bernhard; Spies, Hartmut; Leibnitz, Peter; Scheller, Dieter; Krueger, Torsten; Johannsen, Bernd","Preparation and structural studies of neutral oxorhenium(V) complexes with D-penicillamine methyl ester","Journal of the Chemical Society, Dalton Transactions","1998","","3","455","","10.1039/a706127g","","","0.71069","MoKα","","0.0364","0.0314","","0.0828","0.0801","","","","1.032","1.058","1.058","","","","","has coordinates","179987","2020-10-21","18:00:00",""
"7028115","9.549","0.003","16.885","0.005","21.913","0.004","90","","90","","90","","3533.1","1.7","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H56 Al Li N2 O2 Si3 -","- C30 H56 Al Li N2 O2 Si3 -","- C120 H224 Al4 Li4 N8 O8 Si12 -","4","1","","Al-Juaid, Salih S.; Eaborn, Colin; Gorrell, Ian B.; Hawkes, Simon A.; Hitchcock, Peter B.; Smith, J. David","Reactions of the alkyltrihydroaluminate [Li(thf )2{AlH3[C(SiMe3)3]}]2. Crystal structures of [Li(tmen)2][AlH3{C(SiMe3)3}], [AlBr2{C(SiMe3)3}]·thf, [AlI2{C(SiMe3)3}]·thf, [Li(thf )2(μ-NHPh)2{AlH[C(SiMe3)3]}] and [Li(thf )4][Al(NHPh)3{C(SiMe3)3}]","Journal of the Chemical Society, Dalton Transactions","1998","","14","2411","","10.1039/a802145g","","","0.71073","MoKα","","0.1343","0.0798","","0.2268","0.1915","","","","1.035","1.12","1.12","","","","","has coordinates","179987","2020-10-21","18:00:00",""
"7028193","10.04","0.001","14.284","0.001","24.256","0.003","90","","90","","90","","3478.6","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 N4 O3 P S2 Tc -","- C34 H36 N4 O3 P S2 Tc -","- C136 H144 N16 O12 P4 S8 Tc4 -","4","1","","Cattabriga, Michela; Marchi, Andrea; Marvelli, Lorenza; Rossi, Roberto; Vertuani, Gianni; Pecoraro, Rita; Scatturin, Angelo; Bertolasi, Valerio; Ferretti, Valeria","Synthesis and structural characterization of technetium and rhenium complexes containing derivatized amino acids","Journal of the Chemical Society, Dalton Transactions","1998","","9","1453","","10.1039/a707842k","","","0.71069","MoKα","","0.0856","0.0643","","0.1931","0.1805","","","","1.109","1.177","1.177","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7028225","7.924","0.0011","11.524","0.0017","31.625","0.004","90","","90","","90","","2887.9","0.7","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tetraethylammonium aquachlorooxodiperoxomolybdate(VI)","Tetraethylammonium Aquachloridooxidodi(peroxido-κ^2^O,O)molybdate(VI)","","- C8 H22 Cl Mo N O6 -","- C8 H22 Cl Mo N O6 -","- C64 H176 Cl8 Mo8 N8 O48 -","8","2","","Saito, Masa-aki; Hashimoto, Masato","Synthesis, structure and spectroscopic analyses of aquachloridooxidodiperoxidomolybdate(VI).","Dalton transactions (Cambridge, England : 2003)","2014","43","2","402","405","10.1039/c3dt52848k","","","0.71069","MoKα","","0.035","0.0313","","","0.0625","0.0644","","","","","","1.093","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028226","8.219","0.004","11.656","0.005","13.671","0.006","90","","90","","90","","1309.7","1","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Triethylammonium aquachlorooxodiperoxomolybdate","Triethylmethylammonium Aquachloridooxidodi(peroxido-κ^2^O,O)molybdate(VI)","","- C7 H20 Cl Mo N O6 -","- C7 H20 Cl Mo N O6 -","- C28 H80 Cl4 Mo4 N4 O24 -","4","1","","Saito, Masa-aki; Hashimoto, Masato","Synthesis, structure and spectroscopic analyses of aquachloridooxidodiperoxidomolybdate(VI).","Dalton transactions (Cambridge, England : 2003)","2014","43","2","402","405","10.1039/c3dt52848k","","","0.71069","MoKα","","0.0337","0.0308","","","0.0685","0.0704","","","","","","1.066","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028251","12.0947","0.0013","13.6131","0.0012","17.9876","0.0014","90","","90","","90","","2961.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-bis(2,6-diisopropylphenyl)-2-(phenylphosphanyl)-1,3,2-diazaborolene","","- C32 H42 B N2 P -","- C32 H42 B N2 P -","- C128 H168 B4 N8 P4 -","4","1","","Kaaz, M.; Bender, J.; Förster, D; Frey, W.; Nieger, M.; Gudat, D.","Phosphines with N-heterocyclic boranyl substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","680","689","10.1039/c3dt52441h","","","0.71073","MoKα","","0.077","0.0462","","","0.0815","0.091","","","","","","1.012","","","","has coordinates,has disorder","179988","2020-10-21","18:00:00",""
"7028270","11.248","0.0009","14.075","0.0014","14.5001","0.0011","90","","90","","90","","2295.6","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Bi Cl N -","- C25 H27 Bi Cl N -","- C100 H108 Bi4 Cl4 N4 -","4","1","","Urbanová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Synthesis and structure of N,C-chelated organoantimony(v) and organobismuth(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","505","512","10.1039/c3dt51733k","","","0.71073","MoKα","","0.0614","0.0426","","","0.0842","0.0943","","","","","","1.177","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028273","11.2619","0.0007","13.983","0.0008","14.3511","0.0011","90","","90","","90","","2259.9","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Cl N Sb -","- C25 H27 Cl N Sb -","- C100 H108 Cl4 N4 Sb4 -","4","1","","Urbanová, Iva; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Dostál, Libor","Synthesis and structure of N,C-chelated organoantimony(v) and organobismuth(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","505","512","10.1039/c3dt51733k","","","0.71073","MoKα","","0.0405","0.0279","","","0.0518","0.0585","","","","","","1.171","","","","has coordinates","179988","2020-10-21","18:00:00",""
"7028282","6.4633","0.0003","18.9923","0.0009","27.187","0.0013","90","","90","","90","","3337.3","0.3","296","2","296","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 N2 Ni O3 -","- C36 H45 N2 Ni O3 -","- C144 H180 N8 Ni4 O12 -","4","1","","Ghorai, Samir; Mukherjee, Chandan","Effect of ligand substituent on the reactivity of Ni(II) complexes towards oxygen.","Dalton transactions (Cambridge, England : 2003)","2014","43","2","394","397","10.1039/c3dt52072b","","x-ray","0.71073","MoKα","","0.094","0.0481","","","0.0913","0.118","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7028336","6.0017","0.0007","10.443","0.0012","13.5101","0.0015","90","","90","","90","","846.76","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Mn O8 -","- C6 H8 Mn O8 -","- C24 H32 Mn4 O32 -","4","1","","Gan, C. R. Raymond; Liu, Zhaolin; Bai, Shi-Qiang; Ong, Kian Soo; Hor, T. S. Andy","Carboxylate-rich hybrid ligands in Mn(II) complexes as precursors for water oxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1821","1828","10.1039/c3dt51666k","","","0.71073","MoKα","","0.0241","0.0232","","","0.0571","0.0575","","","","","","1.057","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028371","12.5421","0.0002","12.7742","0.0002","18.7596","0.0004","90","","90","","90","","3005.57","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H20 B F15 N4 O -","- C29 H20 B F15 N4 O -","- C116 H80 B4 F60 N16 O4 -","4","1","","Theuergarten, Eileen; Bannenberg, Thomas; Walter, Marc D.; Holschumacher, Dirk; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Computational and experimental investigations of CO2 and N2O fixation by sterically demanding N-heterocyclic carbenes (NHC) and NHC/borane FLP systems.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1651","1662","10.1039/c3dt52742e","","","0.71073","MoKα","","0.0376","0.0297","","","0.0612","0.0643","","","","","","1.027","","","","has coordinates","179989","2020-10-21","18:00:00",""
"7028406","12.1845","0.0016","23.687","0.003","23.769","0.003","90","","90","","90","","6860.1","1.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C216 H460 Cl8 Mo4 N12 O56 P16 -","- C216 H460 Cl8 Mo4 N12 O56 P16 -","- C216 H460 Cl8 Mo4 N12 O56 P16 -","1","0.25","","Manna, Cesar M.; Nassar, Mostafa Y.; Tofan, Daniel; Chakarawet, Khetpakorn; Cummins, Christopher C.","Facile synthesis of mononuclear early transition-metal complexes of κ3cyclo-tetrametaphosphate ([P4O12]4-) and cyclo-trimetaphosphate ([P3O9]3-.","Dalton transactions (Cambridge, England : 2003)","2014","43","4","1509","1518","10.1039/c3dt52526k","","","0.71073","MoKα","","0.0726","0.0617","","","0.1425","0.1503","","","","","","1.044","","","","has coordinates,has disorder","179990","2020-10-21","18:00:00",""
"7028479","8.714","0.002","15.194","0.004","23.608","0.006","90","","90","","90","","3125.7","1.4","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 B2 F2 O2 -","- C35 H44 B2 F2 O2 -","- C140 H176 B8 F8 O8 -","4","1","","Kumar, George Rajendra; Thilagar, Pakkirisamy","Triarylborane conjugated acacH ligands and their BF2 complexes: facile synthesis and intriguing optical properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3871","3879","10.1039/c3dt52768a","","","0.71073","MoKα","","0.0683","0.0666","","","0.1949","0.1972","","","","","","1.047","","","","has coordinates","179990","2020-10-21","18:00:00",""
"7028530","12.2814","0.0005","12.5064","0.0005","31.8402","0.0013","90","","90","","90","","4890.5","0.3","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H51 Cl2 Mn4 N9 Na O13 -","- C40 H51 Cl2 Mn4 N9 Na O13 -","- C160 H204 Cl8 Mn16 N36 Na4 O52 -","4","1","","Song, Ye; Zhang, Guonan; Qin, Xiaoting; Gao, Yanfei; Ding, Shuai; Wang, Yanqin; Du, Chunfang; Liu, Zhiliang","Chiral [NaMn(II)Mn(III)3] and [Na2Mn(II)2Mn(III)6] clusters constructed by chiral multidentate Schiff-base ligands: synthesis, structures, CD spectra and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3880","3887","10.1039/c3dt51874d","","","0.71073","MoKα","","0.044","0.036","","","0.0701","0.0736","","","","","","0.993","","","","has coordinates","179991","2020-10-21","18:00:00",""
"7028531","14.179","0.003","26.633","0.005","26.704","0.005","90","","90","","90","","10084","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C71 H100 Cl Mn8 N27 Na2 O31 -","- C71 H100 Cl Mn8 N27 Na2 O31 -","- C284 H400 Cl4 Mn32 N108 Na8 O124 -","4","1","","Song, Ye; Zhang, Guonan; Qin, Xiaoting; Gao, Yanfei; Ding, Shuai; Wang, Yanqin; Du, Chunfang; Liu, Zhiliang","Chiral [NaMn(II)Mn(III)3] and [Na2Mn(II)2Mn(III)6] clusters constructed by chiral multidentate Schiff-base ligands: synthesis, structures, CD spectra and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","10","3880","3887","10.1039/c3dt51874d","","","0.71073","MoKα","","0.0658","0.0635","","","0.187","0.1896","","","","","","1.051","","","","has coordinates,has disorder","179991","2020-10-21","18:00:00",""
"7028619","9.9362","0.0003","12.7413","0.0004","18.0469","0.0004","90","","90","","90","","2284.74","0.11","298","","298","2","","","","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Al N4 -","- C25 H25 Al N4 -","- C100 H100 Al4 N16 -","4","1","","Tabthong, Sittichoke; Nanok, Tanin; Kongsaeree, Palangpon; Prabpai, Samran; Hormnirun, Pimpa","Monomethylaluminum and dimethylaluminum pyrrolylaldiminates for the ring-opening polymerization of rac-lactide: effects of ligand structure and coordination geometry.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1348","1359","10.1039/c3dt52455h","","x-ray","0.71073","MoKα","","0.0739","0.046","","","0.1145","0.1284","","","","","","0.981","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028643","17.07","0.003","17.24","0.003","28.56","0.005","90","","90","","90","","8405","3","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H94 Ca2 Cd2 Cl8 N28 O40 -","- C42 H42 Ca2 Cd2 Cl8 N28 O18 -","- C168 H168 Ca8 Cd8 Cl32 N112 O72 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Dong, Nan; Tao, Zhu","[CdCl4]2- anion-induced coordination of alkaline earth metal ions to cucurbit[7]uril, corresponding supramolecular self-assemblies and potential application.","Dalton transactions (Cambridge, England : 2003)","2014","43","3","929","932","10.1039/c3dt52213j","","","0.71073","MoKα","","0.1056","0.0593","","","0.1403","0.1583","","","","","","0.891","","","","has coordinates,has disorder","179992","2020-10-21","18:00:00",""
"7028652","10.493","0.011","18.64","0.02","18.64","0.02","90","","90","","90","","3646","7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H48 N3 O6 Yb -","- C39 H48 N3 O6 Yb -","- C156 H192 N12 O24 Yb4 -","4","1","","Aspinall, Helen C.; Bacsa, John; Beckingham, Oliver D.; Eden, Edward G. B.; Greeves, Nicholas; Hobbs, Matthew D.; Potjewyd, Frances; Schmidtmann, Marc; Thomas, Christopher D.","Adding the right (or left) twist to tris-chelate complexes‒coordination chemistry of chiral oxazolylphenolates with M3+ ions (M = Al or lanthanide).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1434","1442","10.1039/c3dt52366g","","","0.71073","MoKα","","0.0353","0.0333","","","0.073","0.0734","","","","","","1.039","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028654","9.9787","0.0009","18.6883","0.0017","24.482","0.002","90","","90","","90","","4565.5","0.7","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H45 Al N6 O6 -","- C42 H45 Al N6 O6 -","- C168 H180 Al4 N24 O24 -","4","1","","Aspinall, Helen C.; Bacsa, John; Beckingham, Oliver D.; Eden, Edward G. B.; Greeves, Nicholas; Hobbs, Matthew D.; Potjewyd, Frances; Schmidtmann, Marc; Thomas, Christopher D.","Adding the right (or left) twist to tris-chelate complexes‒coordination chemistry of chiral oxazolylphenolates with M3+ ions (M = Al or lanthanide).","Dalton transactions (Cambridge, England : 2003)","2014","43","3","1434","1442","10.1039/c3dt52366g","","","0.71073","MoKα","","0.0629","0.0487","","","0.1011","0.1061","","","","","","1.007","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028694","5.5995","0.0002","13.5098","0.0004","22.2683","0.0008","90","","90","","90","","1684.56","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 B F2 N2 -","- C21 H13 B F2 N2 -","- C84 H52 B4 F8 N8 -","4","1","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","The quenching of fluorescence as an indicator of donor-strength in meso arylethynyl BODIPYs.","Dalton transactions (Cambridge, England : 2003)","2014","43","12","4854","4861","10.1039/c3dt53056f","","","1.5418","CuKα","","0.0336","0.0281","","","0.0735","0.0788","","","","","","1.023","","","","has coordinates","179992","2020-10-21","18:00:00",""
"7028871","9.7407","0.0003","14.4492","0.0004","17.6018","0.0005","90","","90","","90","","2477.37","0.12","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 Cl2 N2 P2 Pd -","- C23 H30 Cl2 N2 P2 Pd -","- C92 H120 Cl8 N8 P8 Pd4 -","4","1","","Ai, Pengfei; Danopoulos, Andreas A.; Braunstein, Pierre","Non-symmetric diphosphines based on the imidazole scaffold: an unusual group interchange involving Pd-CH3 and (imidazole)P-Ph cleavage.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","1957","1960","10.1039/c3dt53025f","","","0.71073","MoKα","","0.0222","0.019","","","0.0412","0.0423","","","","","","1.053","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7028879","11.9151","0.0012","12.7964","0.0011","20.0546","0.0019","90","","90","","90","","3057.7","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Ni O2 P2 S2 -","- C34 H32 Ni O2 P2 S2 -","- C136 H128 Ni4 O8 P8 S8 -","4","1","","Wrixon, Justin D.; Hayward, John J.; Raza, Osman; Rawson, Jeremy M.","Oxidative addition chemistry of tetrathiocines: synthesis, structures and properties of group 10 dithiolate complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","5","2134","2139","10.1039/c3dt52802b","","","0.71073","MoKα","","0.0482","0.0426","","","0.0881","0.0903","","","","","","1.086","","","","has coordinates","179994","2020-10-21","18:00:00",""
"7029040","11.234","0.002","15.755","0.009","22.977","0.007","90","","90","","90","","4067","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H7 B F10 N2 S -","- C22 H7 B F10 N2 S -","- C176 H56 B8 F80 N16 S8 -","8","2","","Weber, Lothar; Halama, Johannes; Hanke, Kenny; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Fox, Mark A.","On the ambiguity of 1,3,2-benzodiazaboroles as donor/acceptor functionalities in luminescent molecules.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3347","3363","10.1039/c3dt52836g","","","0.71073","MoKα","","0.102","0.0745","","","0.1614","0.1753","","","","","","1.103","","","","has coordinates,has disorder","179996","2020-10-21","18:00:00",""
"7029054","10.251","0.002","13.9","0.0006","22.872","0.003","90","","90","","90","","3259","0.8","198","","198","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H37 N3 O2 Pt -","- C38 H37 N3 O2 Pt -","- C152 H148 N12 O8 Pt4 -","4","1","","Tronnier, Alexander; Metz, Stefan; Wagenblast, Gerhard; Muenster, Ingo; Strassner, Thomas","Blue phosphorescent nitrile containing C^C* cyclometalated NHC platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3297","3305","10.1039/c3dt53264j","","x-ray","0.71073","MoKα","","0.0557","0.0359","","","0.0836","0.0904","","","","","","1.215","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029071","5.6712","0.0001","15.4429","0.0003","34.9571","0.0006","90","","90","","90","","3061.53","0.1","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O2 Pt S4 -","- C30 H38 O2 Pt S4 -","- C120 H152 O8 Pt4 S16 -","4","1","","Mügge, Carolin; Liu, Ruiqi; Görls, Helmar; Gabbiani, Chiara; Michelucci, Elena; Rüdiger, Nadine; Clement, Joachim H.; Messori, Luigi; Weigand, Wolfgang","Novel platinum(ii) compounds with O,S bidentate ligands: synthesis, characterization, antiproliferative properties and biomolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","8","3072","3086","10.1039/c3dt52284a","","","0.71073","MoKα","","0.0461","0.0343","","","0.0516","0.0539","","","","","","1.005","","","","has coordinates","179996","2020-10-21","18:00:00",""
"7029114","8.4391","0.001","9.0867","0.0011","14.9595","0.0018","90","","90","","90","","1147.1","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Au Cl2 S3 -","- C6 H11 Au Cl2 S3 -","- C24 H44 Au4 Cl8 S12 -","4","1","","Janzen, D. E.; Kooyman, A. M.","Gold(iii) assisted C-H activation of 1,4,7-trithiacyclononane: synthesis and spontaneous resolution of a bicyclic chiral sulfonium salt.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3424","3427","10.1039/c3dt53545b","","","0.71075","MoKα","","","0.0251","","","","0.0512","","","","","","0.967","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029115","8.4404","0.0017","9.092","0.0018","14.985","0.003","90","","90","","90","","1150","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Au Cl2 S3 -","- C6 H11 Au Cl2 S3 -","- C24 H44 Au4 Cl8 S12 -","4","1","","Janzen, D. E.; Kooyman, A. M.","Gold(iii) assisted C-H activation of 1,4,7-trithiacyclononane: synthesis and spontaneous resolution of a bicyclic chiral sulfonium salt.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3424","3427","10.1039/c3dt53545b","","","0.71075","MoKα","","","0.0228","","","","0.0528","","","","","","1.06","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029165","10.1311","0.0004","12.0085","0.0006","26.9697","0.0013","90","","90","","90","","3281.1","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Br2 Cu2 N2 O8.25 S -","- C26 H36 Br2 Cu2 N2 O8.25 S -","- C104 H144 Br8 Cu8 N8 O33 S4 -","4","1","","Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.","Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3545","3556","10.1039/c3dt52829d","","","0.71073","MoKα","","0.0409","0.0307","","","0.0647","0.0677","","","","","","1.044","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029166","10.3703","0.001","11.8761","0.0011","26.984","0.003","90","","90","","90","","3323.3","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 Br2 Cu2 N2 O8 S -","- C28 H40 Br2 Cu2 N2 O8 S -","- C112 H160 Br8 Cu8 N8 O32 S4 -","4","1","","Thio, Yude; Yang, Xiandong; Vittal, Jagadese J.","Influence of inductive effects and steric encumbrance on the catecholase activities of copper(ii) complexes of reduced Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3545","3556","10.1039/c3dt52829d","","","0.71073","MoKα","","0.0339","0.029","","","0.0636","0.0653","","","","","","1.048","","","","has coordinates,has disorder","179997","2020-10-21","18:00:00",""
"7029181","7.0099","0.0002","16.7184","0.0005","16.759","0.0006","90","","90","","90","","1964.06","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H33 N8 Ta -","- C13 H33 N8 Ta -","- C52 H132 N32 Ta4 -","4","1","","Huang, Shih-Huang; Nesterov, Vladimir N.; Richmond, Michael G.","New azido-substituted tantalum compounds: syntheses and DFT examination of nitrogen-rich mono-, di-, and trinuclear tantalum(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3453","3461","10.1039/c3dt53101e","","","0.71073","MoKα","","0.0154","0.0144","","","0.0334","0.0337","","","","","","1.004","","","","has coordinates","179997","2020-10-21","18:00:00",""
"7029238","8.4671","0.0005","11.5196","0.0007","14.1073","0.0008","90","","90","","90","","1375.99","0.14","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N2 O S2 -","- C11 H18 N2 O S2 -","- C44 H72 N8 O4 S8 -","4","1","","Arnold, Polly L.; Marr, Isobel A.; Zlatogorsky, Sergey; Bellabarba, Ronan; Tooze, Robert P.","Activation of carbon dioxide and carbon disulfide by a scandium N-heterocyclic carbene complex.","Dalton transactions (Cambridge, England : 2003)","2014","43","1","34","37","10.1039/c3dt52762j","","","0.7108","MoKα","","0.0628","0.0543","","","0.1123","0.1154","","","","","","1.161","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029294","10.182","0.002","13.527","0.003","20.85","0.004","90","","90","","90","","2871.7","1","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H44 B10 Li2 N2 O4 -","- C17 H44 B10 Li2 N2 O4 -","- C68 H176 B40 Li8 N8 O16 -","4","1","","Harmgarth, Nicole; Gräsing, Daniel; Dröse, Peter; Hrib, Cristian G.; Jones, Peter G.; Lorenz, Volker; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Novel inorganic heterocycles from dimetalated carboranylamidinates.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5001","5013","10.1039/c3dt52751d","","","0.71073","MoKα","","0.0764","0.0573","","","0.1037","0.1092","","","","","","1.082","","","","has coordinates","179998","2020-10-21","18:00:00",""
"7029311","7.1169","0.0006","8.6634","0.0005","25.2552","0.0015","90","","90","","90","","1557.15","0.18","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 B10 N2 O -","- C10 H16 B10 N2 O -","- C40 H64 B40 N8 O4 -","4","1","","Nie, Yong; Wang, Yafeng; Miao, Jinling; Bian, Deqian; Zhang, Zhenwei; Cui, Yu; Sun, Guoxin","Syntheses and structural characterization of o-carboranylamides with direct cage-amide bond.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5083","5094","10.1039/c3dt52785a","","","0.7107","MoKα","","0.1019","0.0606","","","0.1135","0.132","","","","","","1.028","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029347","9.575","0.005","15.128","0.009","16.401","0.009","90","","90","","90","","2376","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 B9 Rh -","- C21 H36 B9 Rh -","- C84 H144 B36 Rh4 -","4","1","","Galkin, K. I.; Dolgushin, F. M.; Smol'yakov, A. F.; Sergeeva, E. A.; Godovikov, I. A.; Chizhevsky, I. T.","Base-mediated transformation of the agostic (π-allyl)-closo-rhodacarboranes into complexes with an open (1-5-η(5))-pentadienyl ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","13","5076","5082","10.1039/c3dt52838c","","","0.71073","MoKα","","0.0318","0.0284","","","0.0632","0.0649","","","","","","1.002","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029375","11.6726","0.0007","18.6442","0.0011","21.5813","0.0013","90","","90","","90","","4696.7","0.5","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H39 Cl2 F12 N6 O P3 Ru -","- C40 H39 Cl2 F12 N6 O P3 Ru -","- C160 H156 Cl8 F48 N24 O4 P12 Ru4 -","4","1","","Naziruddin, Abbas Raja; Zhuang, Chun-Shiuan; Lin, Wan-Jung; Hwang, Wen-Shu","Donor functionalized ruthenium N-heterocyclic carbene complexes in alcohol oxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","14","5335","5342","10.1039/c3dt53125b","","","0.71073","MoKα","","0.0814","0.0516","","","0.1237","0.1432","","","","","","1.022","","","","has coordinates","179999","2020-10-21","18:00:00",""
"7029544","6.053","0.002","8.56","0.004","14.963","0.006","90","","90","","90","","775.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cu2 H O5 V -","- Cu2 H O5 V -","- Cu16 H8 O40 V8 -","8","2","","Zhang, Su-Yun; He, Zhang-Zhen; Yang, Ming; Guo, Wen-Bin; Tang, Ying-Ying","Synthesis and magnetic properties of a new polymorph of Cu2(VO4)(OH) with a quasi-2D layer structure.","Dalton transactions (Cambridge, England : 2003)","2014","43","9","3521","3527","10.1039/c3dt53009d","","","0.71073","MoKα","","0.0234","0.0216","","","0.0426","0.0433","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7029571","17.588","0.002","19.509","0.002","32.399","0.005","90","","90","","90","","11117","2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(5-tertbutyl-1H-pyrazol-3-yl)pyridine]iron(II) ditetrafluoroborate 2,2,2-trifluoroethanol di-isopropyl ether solvate","","- C41.55 H57.08 B2 F10.18 Fe N10 O1.08 -","- C41.55 H57.075 B2 F10.175 Fe N10 O1.075 -","- C332.4 H456.6 B16 F81.4 Fe8 N80 O8.6 -","8","2","","Roberts, Thomas D.; Little, Marc A.; Kershaw Cook, Laurence J.; Halcrow, Malcolm A.","Iron(ii) complexes of 2,6-di(1H-pyrazol-3-yl)-pyridine derivatives with hydrogen bonding and sterically bulky substituents.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7577","7588","10.1039/c4dt00355a","","","0.71073","MoKα","","0.0871","0.0645","","","0.1768","0.1932","","","","","","1.037","","","","has coordinates,has disorder","180001","2020-10-21","18:00:00",""
"7029574","13.286","0.003","14.439","0.003","29.687","0.006","90","","90","","90","","5695","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H52 Br4 Cl2 N4 Ni2 -","- C53 H52 Br4 Cl2 N4 Ni2 -","- C212 H208 Br16 Cl8 N16 Ni8 -","4","1","","Xing, Qifeng; Song, Kuifeng; Liang, Tongling; Liu, Qingbin; Sun, Wen-Hua; Redshaw, Carl","Synthesis, characterization and ethylene polymerization behaviour of binuclear nickel halides bearing 4,5,9,10-tetra(arylimino)pyrenylidenes.","Dalton transactions (Cambridge, England : 2003)","2014","43","21","7830","7837","10.1039/c4dt00503a","","","0.71073","MoKα","","","0.1172","","","0.3006","0.323","","","","","","1.157","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029578","10.119","0.0002","10.7148","0.0006","16.4367","0.0009","90","","90","","90","","1782.12","0.14","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 K O -","- C17 H31 K O -","- C68 H124 K4 O4 -","4","1","","Reiners, Matthias; Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Pentadienyl chemistry of the heavy alkaline-earth metals revisited.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6614","6617","10.1039/c4dt00545g","","","1.54184","CuKα","","0.0572","0.0498","","","0.1245","0.1304","","","","","","1.015","","","","has coordinates","180001","2020-10-21","18:00:00",""
"7029605","11.5923","0.0001","11.6358","0.0001","12.1043","0.0002","90","","90","","90","","1632.7","0.03","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Cl2 Fe N2 O3 -","- C13 H20 Cl2 Fe N2 O3 -","- C52 H80 Cl8 Fe4 N8 O12 -","4","1","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0251","0.0223","","","0.0491","0.0503","","","","","","1.071","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029606","8.0901","0.0001","12.9326","0.0002","14.6255","0.0002","90","","90","","90","","1530.21","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl2 Fe N2 O2 -","- C13 H18 Cl2 Fe N2 O2 -","- C52 H72 Cl8 Fe4 N8 O8 -","4","1","","Moelands, Marcel A. H.; Schamhart, Daniel J.; Folkertsma, Emma; Lutz, Martin; Spek, Anthony L.; Klein Gebbink, Robertus J. M.","Facial triad modelling using ferrous pyridinyl prolinate complexes: synthesis and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6769","6785","10.1039/c3dt53266f","","","0.71073","MoKα","","0.0337","0.0271","","","0.0615","0.0647","","","","","","1.075","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029621","8.3776","0.0017","13.897","0.003","16.716","0.003","90","","90","","90","","1946.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Cl2 N2 O2 -","- C20 H26 Cl2 N2 O2 -","- C80 H104 Cl8 N8 O8 -","4","1","","Farrell, Joshua R.; Niconchuk, Jonathan A.; Renehan, Peter R.; Higham, Christine S.; Yoon, Eric; Andrews, Mark V.; Shaw, Janet L.; Cetin, Anil; Engle, James; Ziegler, Christopher J.","New diamino-diheterophenol ligands coordinate iron(iii) to make structural and functional models of protocatechuate 3,4-dioxygenase.","Dalton transactions (Cambridge, England : 2003)","2014","43","18","6610","6613","10.1039/c3dt53431f","","","0.71073","MoKα","","0.0669","0.0564","","","0.1478","0.1543","","","","","","0.968","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029626","11.0875","0.0007","14.6797","0.001","21.1257","0.0014","90","","90","","90","","3438.4","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Br N3 O3 Zr -","- C37 H42 Br N3 O3 Zr -","- C148 H168 Br4 N12 O12 Zr4 -","4","1","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0336","0.0286","","","0.0598","0.0611","","","","","","1.002","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029627","11.1599","0.0012","14.8336","0.0017","20.608","0.002","90","","90","","90","","3411.5","0.6","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 Cl N3 O3 Zr -","- C37 H42 Cl N3 O3 Zr -","- C148 H168 Cl4 N12 O12 Zr4 -","4","1","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0368","0.0316","","","0.0632","0.0653","","","","","","1.024","","","","has coordinates","180002","2020-10-21","18:00:00",""
"7029629","12.3919","0.0013","15.1779","0.0016","29.978","0.003","90","","90","","90","","5638.4","1","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H70 Cl N3 O3 Ti -","- C51 H70 Cl N3 O3 Ti -","- C204 H280 Cl4 N12 O12 Ti4 -","4","1","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0467","0.0397","","","0.0974","0.1008","","","","","","1.041","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029630","12.7285","0.0015","15.0219","0.0018","30.104","0.004","90","","90","","90","","5756.1","1.2","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H70 Cl N3 O3 Zr -","- C51 H70 Cl N3 O3 Zr -","- C204 H280 Cl4 N12 O12 Zr4 -","4","1","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0349","0.0307","","","0.0758","0.0774","","","","","","1.041","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029631","12.7812","0.0006","14.9521","0.0008","30.0898","0.0016","90","","90","","90","","5750.3","0.5","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H86 Cl Hf N3 O5 -","- C59 H86 Cl Hf N3 O5 -","- C236 H344 Cl4 Hf4 N12 O20 -","4","1","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0244","0.0224","","","0.0477","0.0482","","","","","","1.011","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029632","15.2108","0.001","18.9002","0.0013","22.5907","0.0016","90","","90","","90","","6494.5","0.8","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C71 H92 Cl N3 O3 Zr -","- C71 H92 Cl N3 O3 Zr -","- C284 H368 Cl4 N12 O12 Zr4 -","4","1","","Zhao, Ning; Hou, Guohua; Deng, Xuebin; Zi, Guofu; Walter, Marc D.","Group 4 metal complexes with new chiral pincer NHC-ligands: synthesis, structure and catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8261","8272","10.1039/c4dt00510d","","","0.71073","MoKα","","0.0485","0.041","","","0.1017","0.1077","","","","","","1.039","","","","has coordinates,has disorder","180002","2020-10-21","18:00:00",""
"7029701","13.428","0.0007","20.4076","0.001","21.3571","0.001","90","","90","","90","","5852.6","0.5","117","2","117","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(DIPP-nacnac-N)2Mg2(H3BNHDIPP)H.(THF)","","","- C55 H81 B Mg2 N6 O -","- C55 H81 B Mg2 N6 O -","- C220 H324 B4 Mg8 N24 O4 -","4","1","","Harder, Sjoerd; Spielmann, Jan; Intemann, Julia","Synthesis and thermal decomposition of a pyridylene-bridged bis-β-diketiminate magnesium hydride cluster.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14284","14290","10.1039/c4dt00835a","","","0.71073","MoKα","","0.0601","0.048","","","0.1204","0.126","","","","","","1.064","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029712","8.902","0.002","11.887","0.003","14.757","0.004","90","","90","","90","","1561.6","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 O5 Zn -","- C14 H14 N4 O5 Zn -","- C56 H56 N16 O20 Zn4 -","4","1","","Zheng, Xiaofang; Huang, Yumei; Duan, Jingui; Wang, Chenggang; Wen, Lili; Zhao, Jinbo; Li, Dongfeng","A microporous Zn(ii)-MOF with open metal sites: structure and selective adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8311","8317","10.1039/c4dt00307a","","","0.71073","MoKα","","0.0266","0.0234","","","0.0677","0.0851","","","","","","1.235","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029737","7.4448","0.0001","13.1466","0.0002","16.0004","0.0003","90","","90","","90","","1566.02","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H8 Cl2 Cu N2 O4 -","- C18 H8 Cl2 Cu N2 O4 -","- C72 H32 Cl8 Cu4 N8 O16 -","4","1","","Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka","A novel type of coordination mode of chloranilic acid leading to the formation of polymeric coordination ribbon in the series of mixed-ligand copper(ii) complexes with 1,10-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7208","7218","10.1039/c3dt53332h","","x-ray","1.54184","CuKα","","","0.0303","","","","0.0807","","","","","","1.057","","","","has coordinates","180003","2020-10-21","18:00:00",""
"7029848","17.0333","0.0013","20.4889","0.0016","24.4972","0.0019","90","","90","","90","","8549.4","1.1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C75 H110 B2 N6 O12 Os P4 -","- C75 H110 B2 N6 O12 Os P4 -","- C300 H440 B8 N24 O48 Os4 P16 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Caia, Alfonso; Castro, Jesús","Preparation and reactivity towards hydrazines of bis(cyanamide) and bis(cyanoguanidine) complexes of the iron triad.","Dalton transactions (Cambridge, England : 2003)","2014","43","19","7314","7323","10.1039/c4dt00394b","","","0.71073","MoKα","","0.159","0.0509","","","0.087","0.1185","","","","","","0.954","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029944","9.6213","0.0013","13.3205","0.0017","15.933","0.002","90","","90","","90","","2042","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Bi N8 O9 S -","- C13 H13 Bi N8 O9 S -","- C52 H52 Bi4 N32 O36 S4 -","4","1","","Li, Mingxue; Lu, Yanli; Yang, Min; Li, Yanke; Zhang, Lizhi; Xie, Songqiang","One dodecahedral bismuth(III) complex derived from 2-acetylpyridine N(4)-pyridylthiosemicarbazone: synthesis, crystal structure and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12882","12887","10.1039/c2dt31256e","","","0.71073","MoKα","","0.0561","0.0406","","","0.0706","0.0722","","","","","","0.937","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7029951","8.9301","0.0002","10.8793","0.0002","23.2605","0.0004","90","","90","","90","","2259.83","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 I2 N4 O2 -","- C18 H28 I2 N4 O2 -","- C72 H112 I8 N16 O8 -","4","1","","Marshall, Paul; Jenkins, Robert L.; Clegg, William; Harrington, Ross W.; Callear, Samantha K.; Coles, Simon J.; Fallis, Ian A.; Dervisi, Athanasia","Chiral Ag(I) and Pt(II) complexes of ditopic NHC ligands: synthesis, structural and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","41","12839","12846","10.1039/c2dt31740k","","","0.71073","MoKα","","0.0374","0.0313","","","0.0689","0.0723","","","","","","1.045","","","","has coordinates","180005","2020-10-21","18:00:00",""
"7030047","7.9179","0.0008","12.1128","0.0016","17.981","0.002","90","","90","","90","","1724.5","0.3","294","2","294","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 Cl2 N4 O2 Ru S2 -","- C11 H18 Cl2 N4 O2 Ru S2 -","- C44 H72 Cl8 N16 O8 Ru4 S8 -","4","1","","Cánaves, María M; Cabra, María I; Bauzá, Antonio; Cañellas, Pablo; Sánchez, Kika; Orvay, Francisca; García-Raso, Angel; Fiol, Juan J.; Terrón, Angel; Barceló-Oliver, Miquel; Ballester, Pablo; Mata, Ignasi; Molins, Elies; Hussain, Firasat; Frontera, Antonio","Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.","Dalton transactions (Cambridge, England : 2003)","2014","43","17","6353","6364","10.1039/c3dt52700j","","x-ray","0.71073","MoKα","","0.0222","0.0208","","","0.0575","0.0585","","","","","","1.193","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030076","4.159","0.0017","6.785","0.003","13.175","0.005","90","","90","","90","","371.8","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Br Cl Hg -","- Br Cl Hg -","- Br4 Cl4 Hg4 -","4","1","","Dang, Yangyang; Meng, Xianggao; Jiang, Kui; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","A promising nonlinear optical material in the Mid-IR region: new results on synthesis, crystal structure and properties of noncentrosymmetric β-HgBrCl.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9893","9897","10.1039/c3dt50291k","","","0.71073","MoKα","","0.0562","0.0521","","","0.1235","0.1257","","","","","","1.045","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030101","12.269","0.003","13.851","0.003","19.379","0.005","90","","90","","90","","3293.2","1.4","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br2 Cl2 N3 O2 Zn -","- C25 H31 Br2 Cl2 N3 O2 Zn -","- C100 H124 Br8 Cl8 N12 O8 Zn4 -","4","1","","Chen, Hui-Qing; Zhang, Kun; Jin, Chao; Huang, Wei","Zinc halide template effects on the construction of [1 + 1] flexible Schiff-base macrocyclic complexes having pendant-armed dialdehyde components.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8486","8492","10.1039/c4dt00605d","","","0.71073","MoKα","","0.0672","0.0389","","","0.0807","0.0879","","","","","","0.92","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030104","11.757","0.006","13.684","0.007","19.582","0.01","90","","90","","90","","3150","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 Br2 N4 O3 Zn2 -","- C29 H38 Br2 N4 O3 Zn2 -","- C116 H152 Br8 N16 O12 Zn8 -","4","1","","Chen, Hui-Qing; Zhang, Kun; Jin, Chao; Huang, Wei","Zinc halide template effects on the construction of [1 + 1] flexible Schiff-base macrocyclic complexes having pendant-armed dialdehyde components.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8486","8492","10.1039/c4dt00605d","","","0.71073","MoKα","","0.1261","0.0924","","","0.2075","0.2247","","","","","","1.043","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030109","9.39","0.0003","14.715","0.0004","18.0296","0.0004","90","","90","","90","","2491.22","0.12","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H44 Li N5 O -","- C21.988 H44 Li N5 O -","- C87.952 H176 Li4 N20 O4 -","4","1","","Kennedy, Alan R.; Mulvey, Robert E.; Urquhart, Robert I.; Robertson, Stuart D.","Lithium, sodium and potassium picolyl complexes: syntheses, structures and bonding.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14265","14274","10.1039/c4dt00808a","","","0.71073","MoKα","","0.0786","0.0588","","","0.135","0.1458","","","","","","1.073","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030110","9.2483","0.0007","15.1708","0.0012","18.4204","0.0015","90","","90","","90","","2584.5","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H44 N5 Na O -","- C21.992 H44 N5 Na O -","- C87.968 H176 N20 Na4 O4 -","4","1","","Kennedy, Alan R.; Mulvey, Robert E.; Urquhart, Robert I.; Robertson, Stuart D.","Lithium, sodium and potassium picolyl complexes: syntheses, structures and bonding.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14265","14274","10.1039/c4dt00808a","","","0.71073","MoKα","","0.1356","0.089","","","0.2328","0.2798","","","","","","1.026","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030137","19.1082","0.0007","21.2045","0.0009","21.4894","0.0009","90","","90","","90","","8707.1","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H49.55 Co I O P3 -","- C50 H49.551 Co I O P3 -","- C400 H396.408 Co8 I8 O8 P24 -","8","2","","Rose, Michael J.; Bellone, Donatela E.; Di Bilio, Angel J.; Gray, Harry B.","Spectroscopic and magnetic properties of an iodo Co(I) tripodal phosphine complex.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11788","11797","10.1039/c2dt31229h","","","0.71073","MoKα","","0.0813","0.0558","","","0.0625","0.0642","","","","","","1.689","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7030140","10.6632","0.0011","16.983","0.005","17.4347","0.0013","90","","90","","90","","3157.3","1","180","2","180","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 B F4 Fe P Rh S -","- C34 H37 B F4 Fe P Rh S -","- C136 H148 B4 F16 Fe4 P4 Rh4 S4 -","4","1","","Kozinets, Ekaterina M.; Koniev, Oleksandr; Filippov, Oleg A.; Daran, Jean-Claude; Poli, Rinaldo; Shubina, Elena S.; Belkova, Natalia V.; Manoury, Eric","Coordination chemistry of diphenylphosphinoferrocenylthioethers on cyclooctadiene and norbornadiene rhodium(I) platforms.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11849","11859","10.1039/c2dt30993a","","","0.71073","MoKα","","0.0461","0.0381","","","0.0926","0.0953","","","","","","1.094","","","","has coordinates,has disorder","180007","2020-10-21","18:00:00",""
"7030152","17.207","0.003","18.244","0.008","21.772","0.005","90","","90","","90","","6835","4","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H67 Eu N4 O8 -","- C73 H67 Eu N4 O8 -","- C292 H268 Eu4 N16 O32 -","4","1","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.0567","0.0463","","","0.097","0.0991","","","","","","1.041","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030154","17.2636","0.0005","18.1927","0.0006","21.766","0.0006","90","","90","","90","","6836.1","0.4","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H67 Eu N4 O8 -","- C73 H67 Eu N4 O8 -","- C292 H268 Eu4 N16 O32 -","4","1","","Li, Xi-Li; Gao, Yu-Liang; Feng, Xiang-Li; Zheng, You-Xuan; Chen, Chun-Lai; Zuo, Jing-Lin; Fang, Shao-Ming","Two mono- and dinuclear Eu(III) enantiomeric pairs based on chiral bis-bidentate bridging ligands: synthesis, structures, luminescent and ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11829","11835","10.1039/c2dt31007d","","","0.71073","MoKα","","0.0586","0.0501","","","0.1092","0.1112","","","","","","1.062","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030165","11.2362","0.0004","17.7643","0.0006","25.2782","0.0008","90","","90","","90","","5045.6","0.3","100.2","","100.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54.77 H44.53 B Cl3.53 Fe N6 O3 -","- C54.766 H44.532 B Cl3.532 Fe N6 O3 -","- C219.064 H178.128 B4 Cl14.128 Fe4 N24 O12 -","4","1","","Baum, Amanda E.; Park, Heaweon; Wang, Denan; Lindeman, Sergey V.; Fiedler, Adam T.","Structural, spectroscopic, and electrochemical properties of nonheme Fe(II)-hydroquinonate complexes: synthetic models of hydroquinone dioxygenases.","Dalton transactions (Cambridge, England : 2003)","2012","41","39","12244","12253","10.1039/c2dt31504a","","","1.5418","CuKα","","0.0838","0.0814","","","0.241","0.2437","","","","","","1.103","","","","has coordinates","180007","2020-10-21","18:00:00",""
"7030210","9.3362","0.0015","16.298","0.003","17.254","0.003","90","","90","","90","","2625.4","0.8","133","2","133.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Cl2 N2 O P Zn -","- C28 H27 Cl2 N2 O P Zn -","- C112 H108 Cl8 N8 O4 P4 Zn4 -","4","1","","Kano, Naokazu; Yamamura, Masaki; Meng, Xiangtai; Yasuzuka, Takaharu; Kawashima, Takayuki","Different coordination modes of 2-(diphenylphosphino)azobenzenes in complexation with hard and soft metals.","Dalton transactions (Cambridge, England : 2003)","2012","41","37","11491","11496","10.1039/c2dt31494k","","","0.71073","MoKα","","","0.0303","","","","0.0988","","","","","","1.104","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030227","14.7449","0.0016","13.694","0.0014","16.1341","0.0019","90","","90","","90","","3257.7","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl2 N2 Ni P2 -","- C34 H28 Cl2 N2 Ni P2 -","- C136 H112 Cl8 N8 Ni4 P8 -","4","1","","Zhang, Qiang; Zhang, Xue-Qi; Wang, Zhong-Xia","Nickel complexes supported by quinoline-based ligands: synthesis, characterization and catalysis in the cross-coupling of arylzinc reagents and aryl chlorides or aryltrimethylammonium salts.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10453","10464","10.1039/c2dt30886j","","","0.71073","MoKα","","0.2389","0.0984","","","0.1595","0.1844","","","","","","1.05","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030247","8.49836","0.0001","13.6127","0.0002","16.385","0.0002","90","","90","","90","","1895.51","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Fe I O2 -","- C19 H23 Fe I O2 -","- C76 H92 Fe4 I4 O8 -","4","1","","Maekawa, Miyuki; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Complexes of manganese, iron and cobalt with sterically demanding indenyl ligands.","Dalton transactions (Cambridge, England : 2003)","2012","41","34","10317","10327","10.1039/c2dt31136d","","","1.54184","CuKα","","0.0193","0.0193","","","0.0501","0.0501","","","","","","1.078","","","","has coordinates","180008","2020-10-21","18:00:00",""
"7030296","11.559","0.0013","11.5507","0.0013","26.697","0.003","90","","90","","90","","3564.4","0.7","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H60 Ca N2 O4 Si4 -","- C24 H60 Ca N2 O4 Si4 -","- C96 H240 Ca4 N8 O16 Si16 -","4","1","","Davin, Julien P.; Buffet, Jean-Charles; Spaniol, Thomas P.; Okuda, Jun","Alkaline earth metal complexes of a chiral polyether as initiator for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12612","12618","10.1039/c2dt31309j","","","0.71073","MoKα","","0.0376","0.034","","","0.0635","0.0648","","","","","","0.917","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030299","9.321","0.002","16.216","0.004","21.088","0.005","90","","90","","90","","3187.4","1.3","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H52 Ca N2 O4 Si4 -","- C20 H52 Ca N2 O4 Si4 -","- C80 H208 Ca4 N8 O16 Si16 -","4","1","","Davin, Julien P.; Buffet, Jean-Charles; Spaniol, Thomas P.; Okuda, Jun","Alkaline earth metal complexes of a chiral polyether as initiator for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12612","12618","10.1039/c2dt31309j","","","0.71073","MoKα","","0.1149","0.0907","","","0.2087","0.22","","","","","","1.097","","","","has coordinates,has disorder","180008","2020-10-21","18:00:00",""
"7030318","14.4973","0.0004","16.0212","0.0004","18.7006","0.0004","90","","90","","90","","4343.48","0.19","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H66 Cl Cr N4 O -","- C46 H66 Cl Cr N4 O -","- C184 H264 Cl4 Cr4 N16 O4 -","4","1","","Conde-Guadano, Susana; Hanton, Martin; Tooze, Robert P.; Danopoulos, Andreas A.; Braunstein, Pierre","Amidine- and amidinate-functionalised N-heterocyclic carbene complexes of silver and chromium.","Dalton transactions (Cambridge, England : 2003)","2012","41","40","12558","12567","10.1039/c2dt31619f","","","0.71073","MoKα","","0.0752","0.052","","","0.0962","0.1069","","","","","","1.075","","","","has coordinates,has disorder","180009","2020-10-21","18:00:00",""
"7030350","10.456","0.005","13.413","0.005","21.207","0.005","90","","90","","90","","2974.2","1.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H38 Cl2 Cu2 N6 O11 -","- C18 H38 Cl2 Cu2 N6 O11 -","- C72 H152 Cl8 Cu8 N24 O44 -","4","1","","Das, Lakshmi Kanta; Drew, Michael G. B.; Diaz, Carmen; Ghosh, Ashutosh","pH dependent facile synthesis of di- and trinuclear oxime based Cu(ii) complexes: antiferromagnetic coupling in the dinuclear cores and spin frustration in the triangular core.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7589","7598","10.1039/c3dt53361a","","","0.71073","MoKα","","0.0531","0.0408","","","0.1046","0.1118","","","","","","1.035","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030351","10.4206","0.0003","13.283","0.0003","21.0965","0.0005","90","","90","","90","","2920.11","0.13","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H38 B2 Cu2 F8 N6 O3 -","- C18 H38 B2 Cu2 F8 N6 O3 -","- C72 H152 B8 Cu8 F32 N24 O12 -","4","1","","Das, Lakshmi Kanta; Drew, Michael G. B.; Diaz, Carmen; Ghosh, Ashutosh","pH dependent facile synthesis of di- and trinuclear oxime based Cu(ii) complexes: antiferromagnetic coupling in the dinuclear cores and spin frustration in the triangular core.","Dalton transactions (Cambridge, England : 2003)","2014","43","20","7589","7598","10.1039/c3dt53361a","","","0.71073","MoKα","","0.0808","0.0486","","","0.1262","0.1417","","","","","","1.051","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030364","8.5855","0.0013","13.622","0.002","32.542","0.005","90","","90","","90","","3805.8","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O Si Zr -","- C17 H29 N O Si Zr -","- C136 H232 N8 O8 Si8 Zr8 -","8","2","","Yan, KaKing; Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.","Direct hydrosilylation by a zirconacycle with β-hydrogen.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8644","8653","10.1039/c4dt00658e","","","0.71073","MoKα","","0.1324","0.122","","","0.2888","0.294","","","","","","1.192","","","","has coordinates","180009","2020-10-21","18:00:00",""
"7030412","10.0472","0.0003","11.1403","0.0003","24.8215","0.0007","90","","90","","90","","2778.24","0.14","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 Co N5 O9 S2 -","- C23 H40 Co N5 O9 S2 -","- C92 H160 Co4 N20 O36 S8 -","4","1","","Chang, John Yu-Chih; Stevenson, Ralph J.; Lu, Guo-Liang; Brothers, Penelope J.; Clark, George R.; Denny, William A.; Ware, David C.","Syntheses of 8-quinolinolatocobalt(III) complexes containing cyclen based auxiliary ligands as models for hypoxia-activated prodrugs.","Dalton transactions (Cambridge, England : 2003)","2010","39","48","11535","11550","10.1039/c0dt01142h","","","0.71073","MoKα","","0.0256","0.0237","","","0.0587","0.0598","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030424","12.9874","0.001","15.0728","0.0011","17.0321","0.001","90","","90","","90","","3334.1","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Cu Fe N8 O11 Tb -","- C25 H20 Cu Fe N8 O11 Tb -","- C100 H80 Cu4 Fe4 N32 O44 Tb4 -","4","1","","Gheorghe, Ruxandra; Madalan, Augustin M.; Costes, Jean-Pierre; Wernsdorfer, Wolfgang; Andruh, Marius","A heterotrimetallic 3d‒3d′‒4f single chain magnet constructed from anisotropic high-spin 3d‒4f nodes and paramagnetic spacers","Dalton Transactions","2010","39","20","4734","","10.1039/b925636a","","","0.71073","MoKα","","0.0673","0.0391","","","0.0699","0.0763","","","","","","0.967","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030461","10.9453","0.0002","20.3553","0.0004","27.9598","0.0007","90","","90","","90","","6229.3","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C141 H114 Cl6 Cu4 Fe4 N4 P4 -","- C141 H114 Cl6 Cu4 Fe4 N4 P4 -","- C282 H228 Cl12 Cu8 Fe8 N8 P8 -","2","0.5","","Shah, Hakikulla H.; Al-Balushi, Rayya A; Al-Suti, Mohammed K; Khan, Muhammad S.; Marken, Frank; Sudlow, Anna L.; Kociok-Köhn, Gabriele; Woodall, Christopher H.; Raithby, Paul R.; Molloy, Kieran C.","New di-ferrocenyl-ethynylpyridinyl triphenylphosphine copper halide complexes and related di-ferricenyl electro-crystallized materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9497","9507","10.1039/c3dt52914b","","","0.71073","MoKα","","0.1276","0.0985","","","0.2548","0.2793","","","","","","1.02","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030462","11.0168","0.0003","20.5385","0.0006","27.5647","0.0008","90","","90","","90","","6237","0.3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C70.3 H57.6 Br2 Cl0.6 Cu2 Fe2 N2 P2 -","- C70.3 H57.6 Br2 Cl0.6 Cu2 Fe2 N2 P2 -","- C281.2 H230.4 Br8 Cl2.4 Cu8 Fe8 N8 P8 -","4","1","","Shah, Hakikulla H.; Al-Balushi, Rayya A; Al-Suti, Mohammed K; Khan, Muhammad S.; Marken, Frank; Sudlow, Anna L.; Kociok-Köhn, Gabriele; Woodall, Christopher H.; Raithby, Paul R.; Molloy, Kieran C.","New di-ferrocenyl-ethynylpyridinyl triphenylphosphine copper halide complexes and related di-ferricenyl electro-crystallized materials.","Dalton transactions (Cambridge, England : 2003)","2014","43","25","9497","9507","10.1039/c3dt52914b","","","0.71073","MoKα","","0.1203","0.0729","","","0.1573","0.1765","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7030471","10.612","0.003","15.222","0.005","18.311","0.006","90","","90","","90","","2957.9","1.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F24 O6 S W -","- C18 H18 F24 O6 S W -","- C72 H72 F96 O24 S4 W4 -","4","1","","Bonsu, Richard O.; Kim, Hankook; O'Donohue, Christopher; Korotkov, Roman Y.; McClain, K. Randall; Abboud, Khalil A.; Ellsworth, Ashley A.; Walker, Amy V.; Anderson, Timothy J.; McElwee-White, Lisa","Partially fluorinated oxo-alkoxide tungsten(vi) complexes as precursors for deposition of WOx nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9226","9233","10.1039/c4dt00407h","","","0.71073","MoKα","","0.0233","0.0223","","","0.0582","0.0586","","","","","","1.081","","","","has coordinates","180010","2020-10-21","18:00:00",""
"7030768","10.8804","0.0001","14.4926","0.0001","21.7725","0.0002","90","","90","","90","","3433.2","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[K(THF)2][C{N(2,6-iPr2C6H3)}2(CH)C]","","- C35 H51 K N2 O2 -","- C35 H51 K N2 O2 -","- C140 H204 K4 N8 O8 -","4","1","","Waters, Jordan B.; Goicoechea, Jose M.","Alkali metal salts of ditopic carbanionic carbenes as reagents for the synthesis of novel complexes of group 12 and 14 metals.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14239","14248","10.1039/c4dt00954a","","","0.71073","MoKα","","0.0649","0.0548","","","0.1475","0.1564","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7030838","9.4671","0.0009","16.0827","0.0017","19.672","0.002","90","","90","","90","","2995.2","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 Al2 N5 O2 -","- C30 H37 Al2 N5 O2 -","- C120 H148 Al8 N20 O8 -","4","1","","Kong, Wei-Li; Wang, Zhong-Xia","Dinuclear magnesium, zinc and aluminum complexes supported by bis(iminopyrrolide) ligands: synthesis, structures, and catalysis toward the ring-opening polymerization of ε-caprolactone and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9126","9135","10.1039/c4dt00431k","","","0.71073","MoKα","","0.0802","0.0437","","","0.0759","0.0839","","","","","","1.05","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7030843","7.88","0.003","13.97","0.005","18.482","0.007","90","","90","","90","","2034.6","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Al N2 -","- C22 H31 Al N2 -","- C88 H124 Al4 N8 -","4","1","","Liu, Junpeng; Ma, Haiyan","Aluminum complexes with bidentate amido ligands: synthesis, structure and performance on ligand-initiated ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9098","9110","10.1039/c4dt00353e","","","0.71073","MoKα","","0.0518","0.0389","","","0.0919","0.0972","","","","","","0.936","","","","has coordinates","180014","2020-10-21","18:00:00",""
"7030949","11.6286","0.0016","13.6585","0.0018","15.944","0.002","90","","90","","90","","2532.4","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N4 Ni O9 -","- C27 H24 N4 Ni O9 -","- C108 H96 N16 Ni4 O36 -","4","1","","Li, Yuan-Pu; Chai, Ying; Yang, Guo-Ping; Miao, Hui-Hui; Cui, Lin; Wang, Yao-Yu; Shi, Qi-Zhen","Metal ions and solvents ratio co-regulate four new magnetic coordination polymers based upon an unsymmetric tricarboxylate acid ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10947","10955","10.1039/c4dt00995a","","","0.71073","MoKα","","0.0843","0.0533","","","0.1086","0.134","","","","","","1.009","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030953","20.88","0.006","21.762","0.006","22.215","0.005","90","","90","","90","","10094","5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Fe4L6-Cl(R)","","","- C102 H100 Cl6 Fe4 N10 O16 -","- C102 H100 Cl6 Fe4 N10 O16 -","- C408 H400 Cl24 Fe16 N40 O64 -","4","1","","Zhu, Yuan-Yuan; Cui, Chang; Qian, Kang; Yin, Ji; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","A family of enantiopure Fe(III)4 single molecule magnets: fine tuning of energy barrier by remote substituent.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11897","11907","10.1039/c3dt53317d","","","0.71073","MoKα","","0.0647","0.0599","","","0.1578","0.1659","","","","","","1.245","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030954","20.925","0.004","21.788","0.004","22.222","0.004","90","","90","","90","","10131","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Fe4L6-Cl(S)","","","- C102 H100 Cl6 Fe4 N10 O16 -","- C102 H100 Cl6 Fe4 N10 O16 -","- C408 H400 Cl24 Fe16 N40 O64 -","4","1","","Zhu, Yuan-Yuan; Cui, Chang; Qian, Kang; Yin, Ji; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","A family of enantiopure Fe(III)4 single molecule magnets: fine tuning of energy barrier by remote substituent.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11897","11907","10.1039/c3dt53317d","","","0.71073","MoKα","","0.0853","0.077","","","0.1895","0.2019","","","","","","1.238","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030979","9.5033","0.0002","15.4993","0.0004","28.4071","0.0007","90","","90","","90","","4184.21","0.17","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 B2 Bi Cl N14 S12 -","- C22 H26 B2 Bi Cl N14 S12 -","- C88 H104 B8 Bi4 Cl4 N56 S48 -","4","1","","Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.","Synthesis, structural and photo-physical studies of bismuth(iii) complexes with Janus scorpionate and co-ligands.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10956","10968","10.1039/c4dt00668b","","","1.54178","CuKα","","0.015","0.0145","","","0.0359","0.0361","","","","","","1.004","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7030987","16.6414","0.0017","19.756","0.002","34.283","0.003","90","","90","","90","","11271.1","1.9","143","1","143","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H44 F15 K N6 O6 U -","- C49 H44 F15 K N6 O6 U -","- C392 H352 F120 K8 N48 O48 U8 -","8","2","","Lewis, Andrew J.; Yin, Haolin; Carroll, Patrick J.; Schelter, Eric J.","Uranyl-oxo coordination directed by non-covalent interactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10844","10851","10.1039/c4dt00763h","","","0.71073","MoKα","","0.09","0.079","","","0.1973","0.2029","","","","","","1.06","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7031003","14.924","0.003","21.749","0.004","25.646","0.005","90","","90","","90","","8324","3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H144 Cr Mo6 N3 O37 -","- C52.6 H116.5 Cr Mo6 N3 O37 -","- C210.4 H466 Cr4 Mo24 N12 O148 -","4","1","","Lin, Chang-Gen; Chen, Wei; Long, De-Liang; Cronin, Leroy; Song, Yu-Fei","Step-by-step covalent modification of Cr-templated Anderson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8587","8590","10.1039/c4dt00033a","","","0.71073","MoKα","","0.0413","0.0396","","","0.0899","0.091","","","","","","1.066","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031004","15.164","0.003","21.818","0.004","25.095","0.005","90","","90","","90","","8303","3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H142 Cr Mo6 N3 O35 -","- C52.2 H117 Cr Mo6 N3 O35 -","- C208.8 H468 Cr4 Mo24 N12 O140 -","4","1","","Lin, Chang-Gen; Chen, Wei; Long, De-Liang; Cronin, Leroy; Song, Yu-Fei","Step-by-step covalent modification of Cr-templated Anderson-type polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8587","8590","10.1039/c4dt00033a","","","0.71073","MoKα","","0.0415","0.0403","","","0.097","0.0979","","","","","","1.083","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031012","11.967","0.006","13.361","0.007","15.789","0.007","90","","90","","90","","2525","2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F12 N4 O2 P2 Ru -","- C20 H18 F12 N4 O2 P2 Ru -","- C80 H72 F48 N16 O8 P8 Ru4 -","4","1","","Nagel, Christoph; McLean, Samantha; Poole, Robert K.; Braunschweig, Holger; Kramer, Thomas; Schatzschneider, Ulrich","Introducing [Mn(CO)3(tpa-κ(3)N)](+) as a novel photoactivatable CO-releasing molecule with well-defined iCORM intermediates - synthesis, spectroscopy, and antibacterial activity.","Dalton transactions (Cambridge, England : 2003)","2014","43","26","9986","9997","10.1039/c3dt51848e","","","0.71073","MoKα","","0.0948","0.0603","","","0.1327","0.1497","","","","","","1.054","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031082","6.7529","0.001","9.6314","0.0013","24.337","0.003","90","","90","","90","","1582.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N2 O3 V -","- C19 H15 N2 O3 V -","- C76 H60 N8 O12 V4 -","4","1","","Plitt, Patrick; Pritzkow, Hans; Kramer, Roland","Biphenyl derived Schiff-base vanadium(V) complexes with pendant OH-groups‒structure, characterization and hydrogen peroxide mediated sulfide oxygenation.","Dalton transactions (Cambridge, England : 2003)","2004","","15","2314","2320","10.1039/B403600J","","","0.71073","MoKα","","0.1028","0.0625","","","0.1413","0.1676","","","","","","1.045","","","","has coordinates","180016","2020-10-21","18:00:00",""
"7031086","8.56","0.002","15.276","0.004","20.019","0.005","90","","90","","90","","2617.7","1.1","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 Cl P2 Pd -","- C29 H29 Cl P2 Pd -","- C116 H116 Cl4 P8 Pd4 -","4","1","","Neo, Kian Eang; Neo, Yew Chin; Chien, Sheau Wei; Tan, Geok Kheng; Wilkins, Alistair L.; Henderson, William; Hor, T. S. Andy","[upper bond 1 start]PdCl[PPh(2)CH(2)CH(2)C[upper bond 1 end]HCH(2)CH(2)PPh(2)] as a precursor to homo- and hetero-metallic species directed by ESMS (electrospray ionisation mass spectrometry).","Dalton transactions (Cambridge, England : 2003)","2004","","15","2281","2287","10.1039/B403051F","","","0.71073","MoKα","","0.1034","0.0569","","","0.1194","0.1339","","","","","","0.962","","","","has coordinates,has disorder","180016","2020-10-21","18:00:00",""
"7031103","8.0923","0.0003","14.866","0.0007","24.1238","0.0008","90","","90","","90","","2902.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 B20 S3 -","- C16 H30 B20 S3 -","- C64 H120 B80 S12 -","4","1","","Boyd, Lynn A.; Clegg, William; Copley, Royston C. B.; Davidson, Matthew G.; Fox, Mark A.; Hibbert, Thomas G.; Howard, Judith A. K.; Mackinnon, Angus; Peace, Richard J.; Wade, Kenneth","Exo-pi-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10 (X=F, OH or NH2) and related anions.","Dalton transactions (Cambridge, England : 2003)","2004","","17","2786","2799","10.1039/B406422D","","","1.54184","CuKα","","0.0386","0.0317","","","0.0837","0.0903","","","","","","1.063","","","","has coordinates","180017","2020-10-21","18:00:00",""
"7031203","10.2154","0.001","11.6483","0.0012","36.498","0.004","90","","90","","90","","4343","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H66 B N6 Na O4 S3 -","- C37 H66 B N6 Na O4 S3 -","- C148 H264 B4 N24 Na4 O16 S12 -","4","1","","Kreider-Mueller, Ava; Rong, Yi; Owen, Jonathan S.; Parkin, Gerard","Molecular structures of tris(2-mercapto-1-tert-butylimidazolyl)hydroborato and tris(2-mercapto-1-adamantylimidazolyl)hydroborato sodium complexes: analysis of [Tm(R)] ligand coordination modes and conformations.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10852","10865","10.1039/c4dt01271b","","","0.71073","MoKα","","0.0763","0.0573","","","0.1278","0.1379","","","","","","1.016","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031217","10.7925","0.0019","12.842","0.002","15.722","0.003","90","","90","","90","","2179","0.7","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H23 Ag2 I4 N5 Pb -","- C8 H23 Ag2 I4 N5 Pb -","- C32 H92 Ag8 I16 N20 Pb4 -","4","1","","Shen, Yali; Lu, Jialin; Tang, Chunying; Fang, Wang; Jia, Dingxian; Zhang, Yong","Syntheses and properties of 2-D and 3-D Pb-Ag heterometallic iodides decorated with ethylene polyamines at the Pb(ii) center.","Dalton transactions (Cambridge, England : 2003)","2014","43","24","9116","9125","10.1039/c4dt00358f","","","0.7107","MoKα","","0.0706","0.0579","","","0.1158","0.1212","","","","","","1.114","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031265","14.1715","0.0006","14.6142","0.0006","16.8817","0.0007","90","","90","","90","","3496.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Iodo(2,2'-bipyridine-κN:κN')(1,3-di-<i>tert</i>- butyl-2,4-bis(<i>tert</i>-butylamino)-2-methyl-[1,3,2,4] diazadiphosphetidin-2-ium-κP)copper(I) Iodide","","- C27 H49 Cu I2 N6 P2 -","- C27 H49 Cu I2 N6 P2 -","- C108 H196 Cu4 I8 N24 P8 -","4","1","","Balakrishna, Maravanji S.; Suresh, Devarajan; Ananthnag, Guddekoppa S.; Mague, Joel T.","Quaternization and oxidation reactions of cyclodiphosphazane derivatives and their copper(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8835","8848","10.1039/c4dt00801d","","","0.71073","MoKα","","0.0436","0.0379","","","0.084","0.0869","","","","","","1.074","","","","has coordinates","180018","2020-10-21","18:00:00",""
"7031277","10.0207","0.0002","13.4721","0.0002","16.8224","0.0003","90","","90","","90","","2271.02","0.07","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N Si -","- C22 H31 N Si -","- C88 H124 N4 Si4 -","4","1","","Uhl, Werner; Bohnemann, Jörg; Kappelt, Benedikt; Hepp, Alexander; Layh, Marcus","Hydrometallation of amino-trialkynylsilanes - intramolecular M-N interactions (M = Al, Ga) and potential activation of Si-N bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14386","14398","10.1039/c4dt00922c","","","1.54178","CuKα","","0.0447","0.039","","","0.0911","0.0944","","","","","","1.059","","","","has coordinates,has disorder","180018","2020-10-21","18:00:00",""
"7031305","13.1755","0.0004","16.9103","0.0004","19.1784","0.0005","90","","90","","90","","4273","0.2","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","JW14","","","- C33 H53 B11 Cu2 Ge N4 P2 -","- C33 H53 B11 Cu2 Ge N4 P2 -","- C132 H212 B44 Cu8 Ge4 N16 P8 -","4","1","","Scheel, Holger; Wiederkehr, Jessica; Eichele, Klaus; Mayer, Hermann A.; Winter, Florian; Pöttgen, Rainer; Wesemann, Lars","Dinuclear copper complexes: coordination of Group 14 heteroborates.","Dalton transactions (Cambridge, England : 2003)","2014","43","31","11867","11876","10.1039/c4dt01242a","","","0.71073","MoKα","","0.0721","0.0445","","","0.1052","0.117","","","","","","1.028","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031319","11.0941","0.0008","13.9218","0.0009","27.1465","0.0013","90","","90","","90","","4192.8","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 N2 O2 Y -","- C35 H41 N2 O2 Y -","- C140 H164 N8 O8 Y4 -","4","1","","Arnold, Polly L.; Cadenbach, Thomas; Marr, Isobel H.; Fyfe, Andrew A.; Bell, Nicola L.; Bellabarba, Ronan; Tooze, Robert P.; Love, Jason B.","Homo- and heteroleptic alkoxycarbene f-element complexes and their reactivity towards acidic N-H and C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2014","43","38","14346","14358","10.1039/c4dt01442a","","","0.71073","MoKα","","0.1257","0.0738","","","0.1515","0.1688","","","","","","1.008","","","","has coordinates","180019","2020-10-21","18:00:00",""
"7031437","9.5273","0.0007","15.9516","0.001","28.6394","0.0014","90","","90","","90","","4352.5","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H47 Au B Cl4 N2 P -","- C48 H47 Au B Cl4 N2 P -","- C192 H188 Au4 B4 Cl16 N8 P4 -","4","1","","Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.","(B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13485","13499","10.1039/c4dt00704b","","","1.54178","CuKα","","0.0601","0.0544","","","0.1457","0.1495","","","","","","1.002","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031464","10.359","0.0006","13.026","0.0012","18.498","0.002","90","","90","","90","","2496.1","0.4","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 B Cl3 N -","- C26 H29 B Cl3 N -","- C104 H116 B4 Cl12 N4 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","From C,N- and N,N-chelated chloroboranes to substituted 1H-2,1-benzazaboroles and 1H-pyrrolo[1,2-c][1,3,2]diazaborolidines: a straightforward route to five-membered rings containing the B-N or N-B-N moiety.","Dalton transactions (Cambridge, England : 2003)","2014","43","33","12678","12688","10.1039/c4dt01445f","","","0.71073","MoKα","","0.0586","0.0427","","","0.081","0.0902","","","","","","1.196","","","","has coordinates","180020","2020-10-21","18:00:00",""
"7031533","9.8749","0.001","11.7989","0.0011","19.907","0.002","90","","90","","90","","2319.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 F6 N2 O4 Pd2 -","- C20 H20 F6 N2 O4 Pd2 -","- C80 H80 F24 N8 O16 Pd8 -","4","1","","Font, Helena; Font-Bardia, Mercè; Gómez, Kerman; González, Gabriel; Granell, Jaume; Macho, Israel; Martínez, Manuel","A kinetico-mechanistic study on the C-H bond activation of primary benzylamines; cooperative and solid-state cyclopalladation on dimeric complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","36","13525","13536","10.1039/c4dt01463d","","","0.71073","MoKα","","0.0511","0.0354","","","0.0549","0.0588","","","","","","1.071","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031556","9.9625","0.0008","10.7349","0.0009","19.7412","0.0016","90","","90","","90","","2111.3","0.3","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H37 Cr N3 S -","- C16 H37 Cr N3 S -","- C64 H148 Cr4 N12 S4 -","4","1","","Bemowski, Ross D.; Singh, Amrendra K.; Bajorek, Bailey J.; DePorre, Yvonne; Odom, Aaron L.","Effective donor abilities of E-t-Bu and EPh (E = O, S, Se, Te) to a high valent transition metal.","Dalton transactions (Cambridge, England : 2003)","2014","43","32","12299","12305","10.1039/c4dt01314j","","","0.71073","MoKα","","0.0367","0.0334","","","0.0858","0.0887","","","","","","1.0329","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031562","5.524","0.0003","13.3635","0.0008","27.7672","0.0015","90","","90","","90","","2049.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 B F2 N3 -","- C25 H18 B F2 N3 -","- C100 H72 B4 F8 N12 -","4","1","","Misra, Rajneesh; Jadhav, Thaksen; Dhokale, Bhausaheb; Gautam, Prabhat; Sharma, Rekha; Maragani, Ramesh; Mobin, Shaikh M.","Carbazole-BODIPY conjugates: design, synthesis, structure and properties.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","13076","","10.1039/c4dt00983e","","","0.71073","MoKα","","0.0584","0.0466","","","0.1219","0.1333","","","","","","1.081","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031595","9.1229","0.0009","10.9815","0.0011","16.3366","0.0017","90","","90","","90","","1636.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 B N4 -","- C20 H17 B N4 -","- C80 H68 B4 N16 -","4","1","","Dijkstra, Peter; Angelone, Davide; Talnishnikh, Elena; Wörtche, Heinrich J; Otten, Edwin; Browne, Wesley R.","Pyridyl-1,2,4-triazole diphenyl boron complexes as efficient tuneable blue emitters.","Dalton transactions (Cambridge, England : 2003)","2014","43","47","17740","17745","10.1039/c4dt01393j","","","0.71073","MoKα","","0.0318","0.0303","","","0.0766","0.0779","","","","","","1.042","","","","has coordinates","180021","2020-10-21","18:00:00",""
"7031639","17.66452","0.00013","17.98233","0.00019","29.4766","0.0003","90","","90","","90","","9363.22","0.15","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C86 H76 Cl10 Mn4 N18 O20 -","- C86 H76 Cl10 Mn4 N18 O20 -","- C344 H304 Cl40 Mn16 N72 O80 -","4","1","","Deville, Claire; Granelli, Matteo; Downward, Alan M.; Besnard, Céline; Guenée, Laure; Williams, Alan F.","Helicity inversion and redox chemistry of chiral manganese(ii) cubanes.","Dalton transactions (Cambridge, England : 2003)","2014","43","34","12917","","10.1039/c4dt01590h","","","1.5418","CuKα","","0.0488","0.0441","","","0.1173","0.1219","","","","","","1.043","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7031758","10.7552","0.0012","17.317","0.002","19.938","0.002","90","","90","","90","","3713.4","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H34 N3 O6 P3 -","- C40 H34 N3 O6 P3 -","- C160 H136 N12 O24 P12 -","4","1","","Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J.","Chiral multidentate oxazoline ligands based on cyclophosphazene cores: synthesis, characterization and complexation studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13899","13912","10.1039/c4dt01741b","","","0.71073","MoKα","","0.0514","0.0487","","","0.1024","0.1037","","","","","","1.219","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7031766","7.7909","0.0003","14.1052","0.0005","19.913","0.0007","90","","90","","90","","2188.28","0.14","100","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cl2 Fe N3 O -","- C20 H28 Cl2 Fe N3 O -","- C80 H112 Cl8 Fe4 N12 O4 -","4","1","","Yankey, Margaret; Obuah, Collins; Guzei, Ilia A.; Osei-Twum, Emmanuel; Hearne, Giovanni; Darkwa, James","(Phenoxyimidazolyl-salicylaldimine)iron complexes: synthesis, properties and iron catalysed ethylene reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13913","13923","10.1039/c4dt01886a","","","1.54178","CuKα","","0.0335","0.0294","","","0.0686","0.0703","","","","","","1.038","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031767","7.931","0.002","14.457","0.004","20.04","0.007","90","","90","","90","","2297.8","1.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Br2 Fe N3 O -","- C20 H28 Br2 Fe N3 O -","- C80 H112 Br8 Fe4 N12 O4 -","4","1","","Yankey, Margaret; Obuah, Collins; Guzei, Ilia A.; Osei-Twum, Emmanuel; Hearne, Giovanni; Darkwa, James","(Phenoxyimidazolyl-salicylaldimine)iron complexes: synthesis, properties and iron catalysed ethylene reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13913","13923","10.1039/c4dt01886a","","","0.71073","MoKα","","0.0273","0.0247","","","0.0617","0.0629","","","","","","1.049","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7031768","7.931","0.002","14.457","0.004","20.04","0.007","90","","90","","90","","2297.8","1.2","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Br2 Fe N3 O -","- C20 H28 Br2 Fe N3 O -","- C80 H112 Br8 Fe4 N12 O4 -","4","1","","Yankey, Margaret; Obuah, Collins; Guzei, Ilia A.; Osei-Twum, Emmanuel; Hearne, Giovanni; Darkwa, James","(Phenoxyimidazolyl-salicylaldimine)iron complexes: synthesis, properties and iron catalysed ethylene reactions.","Dalton transactions (Cambridge, England : 2003)","2014","43","37","13913","13923","10.1039/c4dt01886a","","","0.71073","MoKα","","0.0273","0.0247","","","0.0618","0.063","","","","","","1.05","","","","has coordinates","180023","2020-10-21","18:00:00",""
"7031978","8.0156","0.0004","12.8917","0.0007","20.384","0.001","90","0.005","90","0.005","90","0.005","2106.37","0.19","100","2","100","2","","","","","","","synthesis in the lab","8","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl F6 Ir N O Sb -","- C17 H24 Cl F6 Ir N O Sb -","- C68 H96 Cl4 F24 Ir4 N4 O4 Sb4 -","4","1","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Hydroxymethylpyridine containing half-sandwich complexes of Rh(iii), Ir(iii) or Ru(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15546","15559","10.1039/c4dt02171a","","","0.71069","MoKα","","0.0754","0.0663","","","0.1246","0.1282","","","","","","1.172","","","","has coordinates,has disorder","180025","2020-10-21","18:00:00",""
"7031980","12.4981","0.0013","18.592","0.0019","20.181","0.002","90","","90","","90","","4689.4","0.8","100","2","100","2","","","","","","","Synthesis in the lab.","9","P 21 21 21","P 2ac 2ab","19","","","","- C40 H43 Cl2 F12 N2 O3 P Ru Sb2 -","- C40 H43 Cl2 F12 N2 O3 P Ru Sb2 -","- C160 H172 Cl8 F48 N8 O12 P4 Ru4 Sb8 -","4","1","","Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.","Hydroxymethylpyridine containing half-sandwich complexes of Rh(iii), Ir(iii) or Ru(ii).","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15546","15559","10.1039/c4dt02171a","","","0.71073","MoKα","","0.0396","0.0351","","","0.082","0.0849","","","","","","1.088","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7031991","13.1875","0.0005","17.1684","0.0009","20.1357","0.001","90","","90","","90","","4558.9","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H57 Al N4 O2 -","- C53 H57 Al N4 O2 -","- C212 H228 Al4 N16 O8 -","4","1","","Bakthavachalam, K.; Rajagopal, Ashwene; Dastagiri Reddy, N.","N-Benzoylbenzamidinate complexes of aluminium: highly efficient initiators for the ring-opening polymerization of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14816","14823","10.1039/c4dt02026j","","","0.7107","MoKα","","0.1186","0.0632","","","0.0784","0.0952","","","","","","0.991","","","","has coordinates","180025","2020-10-21","18:00:00",""
"7032046","14.3881","0.0004","17.1311","0.0006","26.0983","0.001","90","","90","","90","","6432.8","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 Cl2 N3 O3 Pd -","- C28 H31 Cl2 N3 O3 Pd -","- C224 H248 Cl16 N24 O24 Pd8 -","8","2","","Anisimova, Tatyana B.; Guedes da Silva, M Fátima C; Kukushkin, Vadim Yu; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Metal-mediated coupling of amino acid esters with isocyanides leading to new chiral acyclic aminocarbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15861","15871","10.1039/c4dt01917b","","","0.71069","MoKα","","0.054","0.0439","","","0.1335","0.1447","","","","","","0.684","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032047","12.7792","0.0007","16.8591","0.0009","17.8453","0.001","90","","90","","90","","3844.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H56 Cl5 N3 O4 Pd -","- C28 H36 Cl5 N3 O2 Pd -","- C112 H144 Cl20 N12 O8 Pd4 -","4","1","","Anisimova, Tatyana B.; Guedes da Silva, M Fátima C; Kukushkin, Vadim Yu; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Metal-mediated coupling of amino acid esters with isocyanides leading to new chiral acyclic aminocarbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15861","15871","10.1039/c4dt01917b","","","0.71069","MoKα","","0.1128","0.0659","","","0.1555","0.1744","","","","","","0.957","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032049","9.3639","0.0002","14.8451","0.0003","18.9144","0.0004","90","","90","","90","","2629.25","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H39 Cl2 N3 O2 Pd -","- C23 H39 Cl2 N3 O2 Pd -","- C92 H156 Cl8 N12 O8 Pd4 -","4","1","","Anisimova, Tatyana B.; Guedes da Silva, M Fátima C; Kukushkin, Vadim Yu; Pombeiro, Armando J. L.; Luzyanin, Konstantin V.","Metal-mediated coupling of amino acid esters with isocyanides leading to new chiral acyclic aminocarbene complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","15861","15871","10.1039/c4dt01917b","","","0.71069","MoKα","","0.0336","0.0264","","","0.0556","0.0588","","","","","","0.947","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032083","8.2182","0.0002","12.9877","0.0003","20.2391","0.0005","90","","90","","90","","2160.23","0.09","297","2","297","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 Cl N O P Pd -","- C19 H33 Cl N O P Pd -","- C76 H132 Cl4 N4 O4 P4 Pd4 -","4","1","","Khake, Shrikant M.; Soni, Vineeta; Gonnade, Rajesh G.; Punji, Benudhar","Design and development of POCN-pincer palladium catalysts for C-H bond arylation of azoles with aryl iodides.","Dalton transactions (Cambridge, England : 2003)","2014","43","42","16084","16096","10.1039/c4dt01547a","","","0.71073","MoKα","","0.0303","0.026","","","0.0601","0.0623","","","","","","1.01","","","","has coordinates","180026","2020-10-21","18:00:00",""
"7032120","9.9126","0.0003","14.6493","0.0004","22.7915","0.0006","90","","90","","90","","3309.61","0.16","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Cl2 Ge N2 -","- C35 H48 Cl2 Ge N2 -","- C140 H192 Cl8 Ge4 N8 -","4","1","","Sidiropoulos, Anastas; Osborne, Brooke; Simonov, Alexandr N.; Dange, Deepak; Bond, Alan M.; Stasch, Andreas; Jones, Cameron","Expanded ring N-heterocyclic carbene adducts of group 15 element trichlorides: synthesis and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14858","14864","10.1039/c4dt02074j","","","0.71073","MoKα","","0.0267","0.0234","","","0.0531","0.0546","","","","","","1.042","","","","has coordinates","180027","2020-10-21","18:00:00",""
"7032225","6.4932","0.0006","22.72","0.002","23.008","0.002","90","","90","","90","","3394.3","0.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 N4 O2 S2 -","- C38 H34 N4 O2 S2 -","- C152 H136 N16 O8 S8 -","4","1","","Selvakumaran, Nagamani; Bhuvanesh, Nattamai S. P.; Karvembu, Ramasamy","Self-assembled Cu(ii) and Ni(ii) metallamacrocycles formed from 3,3,3',3'-tetrabenzyl-1,1'-aroylbis(thiourea) ligands: DNA and protein binding studies, and cytotoxicity of trinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16395","16410","10.1039/c4dt01859a","","","0.71073","MoKα","","0.0433","0.037","","","0.0811","0.084","","","","","","1.026","","","","has coordinates","180028","2020-10-21","18:00:00",""
"7032278","9.941","0.002","13.345","0.003","31.565","0.007","90","","90","","90","","4187.5","1.6","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37.74 H38.12 F12 N7.37 P2 Ru -","- C37.744 H38.116 F12 N7.372 P2 Ru -","- C150.976 H152.464 F48 N29.488 P8 Ru4 -","4","1","","Chen, Yongjie; Lei, Wanhua; Jiang, Guoyu; Hou, Yuanjun; Li, Chao; Zhang, Baowen; Zhou, Qianxiong; Wang, Xuesong","Fusion of photodynamic therapy and photoactivated chemotherapy: a novel Ru(ii) arene complex with dual activities of photobinding and photocleavage toward DNA.","Dalton transactions (Cambridge, England : 2003)","2014","43","41","15375","15384","10.1039/c4dt01755b","","","0.71073","MoKα","","0.0842","0.0772","","","0.191","0.1996","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7032579","5.002","0.0006","13.078","0.002","14.257","0.002","90","","90","","90","","932.6","0.2","120","1","120","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Hawes, Chris S.; Kruger, Paul E.","Discrete and polymeric Cu(ii) complexes featuring substituted indazole ligands: their synthesis and structural chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16450","16458","10.1039/c4dt02428a","","","1.54184","CuKα","","0.036","0.0335","","","0.0877","0.0894","","","","","","1.123","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032580","5.6717","0.0006","11.2569","0.0011","14.8452","0.0016","90","","90","","90","","947.8","0.17","120","1","120","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Hawes, Chris S.; Kruger, Paul E.","Discrete and polymeric Cu(ii) complexes featuring substituted indazole ligands: their synthesis and structural chemistry.","Dalton transactions (Cambridge, England : 2003)","2014","43","43","16450","16458","10.1039/c4dt02428a","","","1.54184","CuKα","","0.0494","0.0401","","","0.0944","0.1025","","","","","","1.078","","","","has coordinates","180031","2020-10-21","18:00:00",""
"7032594","15.1562","0.0005","21.7956","0.0013","25.0114","0.0013","90","","90","","90","","8262.2","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H142 Cr Mo6 N3 O35 -","- C53 H142 Cr Mo6 N3 O35 -","- C212 H568 Cr4 Mo24 N12 O140 -","4","1","","Zhang, Jiangwei; Zhao, Zhenlin; Zhang, Jin; She, Shan; Huang, Yichao; Wei, Yongge","Spontaneous resolution of polyoxometalate-based inorganic-organic hybrids driven by solvent and common ion.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17296","17302","10.1039/c4dt01954g","","","0.71073","MoKα","","0.0566","0.0461","","","0.0934","0.0991","","","","","","1.051","","","","has coordinates,has disorder","180031","2020-10-21","18:00:00",""
"7032602","7.8292","0.0004","17.6253","0.001","21.2086","0.0011","90","","90","","90","","2926.6","0.3","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 N4 Ni -","- C40 H28 N4 Ni -","- C160 H112 N16 Ni4 -","4","1","","Dimé, Abdou K D; Devillers, Charles H.; Cattey, Hélène; Lucas, Dominique","Versatile redox reactivity of triaryl-meso-substituted Ni(ii) porphyrin.","Dalton transactions (Cambridge, England : 2003)","2014","43","39","14554","14564","10.1039/c4dt00221k","","","0.71073","MoKα","","0.0954","0.0783","","","0.1434","0.1532","","","","","","1.276","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032629","8.16","0.005","21.76","0.005","17.609","0.005","90","","90","","90","","3127","2","180","","180","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H36 Mn2 N2 O18 S2 -","- C20 H20 Mn2 N2 O18 S2 -","- C80 H80 Mn8 N8 O72 S8 -","4","1","","Palopoli, Claudia; Duhayon, Carine; Tuchagues, Jean-Pierre; Signorella, Sandra","Synthesis, characterization, and reactivity studies of a water-soluble bis(alkoxo)(carboxylato)-bridged diMn(III) complex modeling the active site in catalase.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17145","17155","10.1039/c4dt01907e","","x-ray","0.71073","MoKα","","0.0905","0.0592","","","0.143","0.165","","","","","","1.001","","","","has coordinates,has disorder","180032","2020-10-21","18:00:00",""
"7032635","18.1583","0.0016","19.2347","0.0017","51.548","0.004","90","","90","","90","","18004","3","100","","100.01","","","","","","","","Commercially obtained","4","P 21 21 21","P 2ac 2ab","19","Sodium tert-butoxide","Sodium tert-butoxide","","- C24 H54 Na6 O6 -","- C24 H54 Na6 O6 -","- C480 H1080 Na120 O120 -","20","5","","Ostreng, E.; Sønsteby, H H; Oien, S.; Nilsen, O.; Fjellvåg, H","Atomic layer deposition of sodium and potassium oxides: evaluation of precursors and deposition of thin films.","Dalton transactions (Cambridge, England : 2003)","2014","43","44","16666","16672","10.1039/c4dt01930j","","x-ray","0.71073","MoKα","","0.0846","0.058","","","0.1414","0.1565","","","","","","1.059","","","","has coordinates","180032","2020-10-21","18:00:00",""
"7032716","6.1281","0.0003","15.9681","0.001","17.311","0.0008","90","","90","","90","","1693.95","0.16","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Azam, Mohammad; Al-Resayes, Saud I; Velmurugan, Gunasekaran; Venuvanalingam, Ponnambalam; Wagler, Jörg; Kroke, Edwin","Novel uranyl(VI) complexes incorporating propylene-bridged salen-type N2O2-ligands: a structural and computational approach.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","568","577","10.1039/c4dt02112f","","","0.71073","MoKα","","0.0367","0.0311","","","0.0772","0.0799","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7032789","7.96","0.0004","13.4856","0.0007","45.063","0.002","90","","90","","90","","4837.3","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N Ni S10 -","- C17 H18 N Ni S10 -","- C136 H144 N8 Ni8 S80 -","8","2","","Saeki, Masahiro; Dai, Kotaro; Ichimura, Shuhei; Tamaki, Yoshinori; Tomono, Kazuaki; Miyamura, Kazuo","Five types of odd-even effect and crystal structure changes brought about by ω-phenylalkyl group in [Ni(dmit)2] complex salts.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","17067","17074","10.1039/c4dt02320j","","","0.71073","MoKα","","0.0411","0.0348","","","0.0798","0.0829","","","","","","1.003","","","","has coordinates","180033","2020-10-21","18:00:00",""
"7032828","13.3678","0.0005","17.3124","0.0007","20.3828","0.0008","90","","90","","90","","4717.2","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H55 F6 Fe N7 O7 S2 -","- C41 H55 F6 Fe N7 O7 S2 -","- C164 H220 F24 Fe4 N28 O28 S8 -","4","1","","Matson, Ellen M.; Gordon, Zachary; Lin, Benjamin; Nilges, Mark J.; Fout, Alison R.","Meridional vs. facial coordination geometries of a dipodal ligand framework featuring a secondary coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2014","43","45","16992","16995","10.1039/c4dt02327g","","","0.71073","MoKα","","0.0419","0.0361","","","0.0933","0.0971","","","","","","1.011","","","","has coordinates,has disorder","180034","2020-10-21","18:00:00",""
"7032851","5.725","0.0003","12.106","0.0007","16.413","0.001","90","","90","","90","","1137.53","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C44 H64 N8 O8 -","4","1","","Adão, Pedro; Barroso, Sónia; Carvalho, M Fernanda N N; Teixeira, Carlos M.; Kuznetsov, Maxim L.; Pessoa, João Costa","Amino acid derived CuII compounds as catalysts for asymmetric oxidative coupling of 2-naphthol.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1612","1626","10.1039/c4dt02731k","","x-ray","0.71073","MoKα","","0.0476","0.037","","","0.0768","0.0797","","","","","","1.01","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032852","9.312","0.0004","16.405","0.0008","24.142","0.0011","90","","90","","90","","3688","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cu N2 O5 -","- C17 H18 Cu N2 O5 -","- C136 H144 Cu8 N16 O40 -","8","2","","Adão, Pedro; Barroso, Sónia; Carvalho, M Fernanda N N; Teixeira, Carlos M.; Kuznetsov, Maxim L.; Pessoa, João Costa","Amino acid derived CuII compounds as catalysts for asymmetric oxidative coupling of 2-naphthol.","Dalton transactions (Cambridge, England : 2003)","2015","44","4","1612","1626","10.1039/c4dt02731k","","x-ray","0.71073","MoKα","","0.0709","0.0631","","","0.1607","0.1646","","","","","","1.083","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032868","11.3979","0.0007","21.1386","0.0011","25.6198","0.0016","90","","90","","90","","6172.7","0.6","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C67 H52 Cu F6 N2 O2 P3 -","- C67 H52 Cu F6 N2 O2 P3 -","- C268 H208 Cu4 F24 N8 O8 P12 -","4","1","","Nishikawa, Michihiro; Sawamura, Shota; Haraguchi, Aya; Morikubo, Jun; Takao, Koichiro; Tsubomura, Taro","Highly emissive copper(I) complexes bearing diimine and bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3-dioxolane.","Dalton transactions (Cambridge, England : 2003)","2015","44","1","411","418","10.1039/c4dt03176h","","","0.7107","MoKα","","0.0797","0.0737","","","","0.2188","","","","","","1.06","","","","has coordinates","180034","2020-10-21","18:00:00",""
"7032901","9.65","0.004","15.353","0.006","25.967","0.011","90","","90","","90","","3847","3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H27 Cl Ir N6 O -","- C41 H27 Cl Ir N6 O -","- C164 H108 Cl4 Ir4 N24 O4 -","4","1","","Mandal, Soumik; Poria, Dipak K.; Ghosh, Ritabrata; Ray, Partho Sarothi; Gupta, Parna","Development of a cyclometalated iridium complex with specific intramolecular hydrogen-bonding that acts as a fluorescent marker for the endoplasmic reticulum and causes photoinduced cell death.","Dalton transactions (Cambridge, England : 2003)","2014","43","46","17463","17474","10.1039/c4dt00845f","","","0.71073","MoKα","","0.0986","0.0657","","","0.1352","0.1487","","","","","","0.955","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032939","14.571","0.001","15.9423","0.0011","17.0831","0.0012","90","","90","","90","","3968.3","0.5","143","2","143","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H62 Cl2 N Nb O3 -","- C37 H62 Cl2 N Nb O3 -","- C148 H248 Cl8 N4 Nb4 O12 -","4","1","","Hananouchi, Steven; Krull, Brandon T.; Ziller, Joseph W.; Furche, Filipp; Heyduk, Alan F.","Metal effects on ligand non-innocence in Group 5 complexes of the redox-active [ONO] pincer ligand.","Dalton transactions (Cambridge, England : 2003)","2014","43","48","17991","18000","10.1039/c4dt02259a","","","0.71073","MoKα","","0.0241","0.0228","","","0.058","0.0587","","","","","","1.058","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7032996","8.209","0.0005","9.1718","0.0006","20.3772","0.0017","90","","90","","90","","1534.23","0.19","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cu N3 O2 -","- C17 H19 Cu N3 O2 -","- C68 H76 Cu4 N12 O8 -","4","1","","Bhattacharyya, Anik; Ghosh, Biswa Nath; Herrero, Santiago; Rissanen, Kari; Jiménez-Aparicio, Reyes; Chattopadhyay, Shouvik","Formation of a novel ferromagnetic end-to-end cyanate bridged homochiral helical copper(II) Schiff base complex via spontaneous symmetry breaking.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","493","497","10.1039/c4dt03166k","","","0.71073","MoKα","","0.0334","0.0311","","","0.0688","0.0715","","","","","","1.049","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7033068","10.7411","0.0001","14.4017","0.0001","27.9573","0.0002","90","","90","","90","","4324.72","0.06","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H66 Ca N2 O Si -","- C45 H66 Ca N2 O Si -","- C180 H264 Ca4 N8 O4 Si4 -","4","1","","Blom, Burgert; Klatt, Günter; Gallego, Daniel; Tan, Gengwen; Driess, Matthias","Unprecedented silicon(II)→calcium complexes with N-heterocyclic silylenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","2","639","644","10.1039/c4dt03148b","","","1.54178","CuKα","","0.0314","0.0309","","","0.0853","0.0857","","","","","","1.034","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033081","9.59","0.0005","10.3214","0.0006","13.7988","0.0009","90","","90","","90","","1365.84","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4.5 H14 Al B5 N2 O10 -","- C4.5 Al B5 N2 O10 -","- C18 Al4 B20 N8 O40 -","4","1","","Wei, Li; Wang, Guo-Ming; He, Huan; Yang, Bai-Feng; Yang, Guo-Yu","Series of open-framework aluminoborates containing [B5O10] clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1420","1426","10.1039/c4dt02632b","","","0.71073","MoKα","","0.0537","0.0503","","","0.1275","0.1296","","","","","","0.905","","","","has coordinates","180036","2020-10-21","18:00:00",""
"7033199","16.8316","0.0005","19.3323","0.0004","34.4393","0.0009","90","","90","","90","","11206.3","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C102.65 H142.85 Ca2 Mn N7.55 O15.55 S8 -","- C102.65 H142.85 Ca2 Mn N7.55 O15.55 S8 -","- C410.6 H571.4 Ca8 Mn4 N30.2 O62.2 S32 -","4","1","","Fuller, Rebecca O.; Koutsantonis, George A.; Lozić, Ivan; Ogden, Mark I.; Skelton, Brian W.","Manganese-calcium clusters supported by calixarenes.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2132","2137","10.1039/c4dt02952f","","","1.54178","CuKα","","0.0969","0.0745","","","0.1841","0.2044","","","","","","0.992","","","","has coordinates,has disorder","180037","2020-10-21","18:00:00",""
"7033207","10.4536","0.0004","17.2754","0.0006","24.473","0.0009","90","","90","","90","","4419.6","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H41 Cl3 O8 P2 Pd -","- C43 H41 Cl3 O8 P2 Pd -","- C172 H164 Cl12 O32 P8 Pd4 -","4","1","","Yang, Xiang-Yuan; Gan, Jun Hao; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Palladium catalyzed asymmetric hydrophosphination of α,β- and α,β,γ,δ-unsaturated malonate esters - efficient control of reactivity, stereo- and regio-selectivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1258","1263","10.1039/c4dt02673j","","","0.71073","MoKα","","0.0605","0.0415","","","0.0776","0.088","","","","","","1.013","","","","has coordinates,has disorder","180038","2020-10-21","18:00:00",""
"7033216","7.7621","0.0003","31.6938","0.0014","12.2898","0.0005","90","","90","","90","","3023.4","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Mo N6 O4 S3 -","- C27 H27 Mo N6 O4 S3 -","- C108 H108 Mo4 N24 O16 S12 -","4","1","","Sengupta, Dolan; Gangopadhyay, Snigdha; Drew, Michael G. B.; Gangopadhyay, Pijush Kanti","Thiohydrazide complexes of molybdenum and their relevance to reduction of dinitrogen to ammonia.","Dalton transactions (Cambridge, England : 2003)","2015","44","3","1323","1331","10.1039/c4dt01945h","","","0.71073","MoKα","","0.0969","0.0706","","","0.1716","0.1801","","","","","","1.027","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7033238","6.7311","0.0007","7.4805","0.001","9.6521","0.001","90","","90","","90","","486","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Cu N7 -","- C H Cu N7 -","- C4 H4 Cu4 N28 -","4","1","","Hou, Zhao-Jun; Liu, Zhong-Yi; Liu, Ning; Yang, En-Cui; Zhao, Xiao-Jun","Four tetrazolate-based 3D frameworks with diverse subunits directed by inorganic anions and azido coligand: hydro/solvothermal syntheses, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2223","2233","10.1039/c4dt03172e","","","0.71073","MoKα","","0.0289","0.0263","","","0.0571","0.058","","","","","","1.066","","","","has coordinates","180038","2020-10-21","18:00:00",""
"7033300","7.6658","0.0003","10.5251","0.0006","18.754","0.0006","90","","90","","90","","1513.13","0.12","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl N3 Ni O5 -","- C11 H20 Cl N3 Ni O5 -","- C44 H80 Cl4 N12 Ni4 O20 -","4","1","","Das, Mriganka; Nasani, Rajendar; Saha, Manideepa; Mobin, Shaikh M.; Mukhopadhyay, Suman","Nickel(ii) complexes with a flexible piperazinyl moiety: studies on DNA and protein binding and catecholase like properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","5","2299","2310","10.1039/c4dt02675f","","","0.71073","MoKα","","0.0338","0.0302","","","0.0784","0.0815","","","","","","1.087","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033319","6.68635","0.00013","12.1176","0.00016","26.3295","0.0004","90","","90","","90","","2133.28","0.06","297.6","","297.6","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Au N4 P -","- C23 H16 Au N4 P -","- C92 H64 Au4 N16 P4 -","4","1","","Galassi, Rossana; Oumarou, Camille Simon; Burini, Alfredo; Dolmella, Alessandro; Micozzi, Daniela; Vincenzetti, Silvia; Pucciarelli, Stefania","A study on the inhibition of dihydrofolate reductase (DHFR) from Escherichia coli by gold(i) phosphane compounds. X-ray crystal structures of (4,5-dichloro-1H-imidazolate-1-yl)-triphenylphosphane-gold(i) and (4,5-dicyano-1H-imidazolate-1-yl)-triphenylphosphane-gold(i).","Dalton transactions (Cambridge, England : 2003)","2015","44","7","3043","3056","10.1039/c4dt01542h","","","0.7107","MoKα","","0.0322","0.0262","","","0.0522","0.054","","","","","","1.071","","","","has coordinates","180039","2020-10-21","18:00:00",""
"7033409","11.4205","0.0015","17.117","0.002","19.045","0.003","90","","90","","90","","3723","0.9","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 Cl Ir O P2 Si -","- C43 H40 Cl Ir O P2 Si -","- C172 H160 Cl4 Ir4 O4 P8 Si4 -","4","1","","Zuzek, Ashley A.; Parkin, Gerard","Oxidative addition of SiH4 and GeH4 to Ir(PPh3)2(CO)Cl: structural and spectroscopic evidence for the formation of products derived from cis oxidative addition.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2801","2808","10.1039/c4dt03363a","","","0.71073","MoKα","","0.0844","0.0497","","","0.0869","0.0989","","","","","","1.007","","","","has coordinates","180040","2020-10-21","18:00:00",""
"7033687","9.749","0.005","21.935","0.005","31.167","0.005","90","0.005","90","0.005","90","0.005","6665","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Eu","2#Eu","","- C44.5 H42.5 Eu2 O30.75 S6 -","- C44 H20 Eu2 O30 S6 -","- C176 H80 Eu8 O120 S24 -","4","1","","Feng, Chang; Sun, Jing-Wen; Yan, Peng-Fei; Li, Yu-Xin; Liu, Tian-Qi; Sun, Qing-Yan; Li, Guang-Ming","Color-tunable and white-light emission of one-dimensional l-di-2-thenoyltartaric acid mixed-lanthanide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4640","4647","10.1039/c4dt03457k","","","0.71069","MoKα","","0.0632","0.0559","","","0.1389","0.1438","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033688","9.728","0.005","22.1","0.005","31.176","0.005","90","0.005","90","0.005","90","0.005","6702","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Gd","3#Gd","","- C46 H25 Gd2 O31 S6 -","- C46 H25 Gd2 O31 S6 -","- C184 H100 Gd8 O124 S24 -","4","1","","Feng, Chang; Sun, Jing-Wen; Yan, Peng-Fei; Li, Yu-Xin; Liu, Tian-Qi; Sun, Qing-Yan; Li, Guang-Ming","Color-tunable and white-light emission of one-dimensional l-di-2-thenoyltartaric acid mixed-lanthanide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4640","4647","10.1039/c4dt03457k","","","0.71069","MoKα","","0.0713","0.0666","","","0.1672","0.1724","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033689","9.887","0.005","22.183","0.005","31.491","0.005","90","0.005","90","0.005","90","0.005","6907","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","La","1#La","","- C49 H56 La2 O33 S6 -","- C49 H32 La2 O33 S6 -","- C196 H128 La8 O132 S24 -","4","1","","Feng, Chang; Sun, Jing-Wen; Yan, Peng-Fei; Li, Yu-Xin; Liu, Tian-Qi; Sun, Qing-Yan; Li, Guang-Ming","Color-tunable and white-light emission of one-dimensional l-di-2-thenoyltartaric acid mixed-lanthanide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4640","4647","10.1039/c4dt03457k","","","0.71069","MoKα","","0.071","0.0681","","","0.1643","0.1662","","","","","","1.209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033690","9.717","0.005","21.798","0.005","30.791","0.005","90","0.005","90","0.005","90","0.005","6522","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tb","4#Tb","","- C45 H44 O31 S6 Tb2 -","- C45 H21 O31 S6 Tb2 -","- C180 H84 O124 S24 Tb8 -","4","1","","Feng, Chang; Sun, Jing-Wen; Yan, Peng-Fei; Li, Yu-Xin; Liu, Tian-Qi; Sun, Qing-Yan; Li, Guang-Ming","Color-tunable and white-light emission of one-dimensional l-di-2-thenoyltartaric acid mixed-lanthanide coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","10","4640","4647","10.1039/c4dt03457k","","","0.71069","MoKα","","0.0758","0.0735","","","0.1876","0.1895","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7033749","10.2042","0.0007","16.8211","0.0011","16.8403","0.0011","90","","90","","90","","2890.6","0.3","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 Cu N6 O9 -","- C24 H42 Cu N6 O9 -","- C96 H168 Cu4 N24 O36 -","4","1","","Rodríguez-Rodríguez, Aurora; Garda, Zoltán; Ruscsák, Erika; Esteban-Gómez, David; de Blas, Andrés; Rodríguez-Blas, Teresa; Lima, Luís M P; Beyler, Maryline; Tripier, Raphaël; Tircsó, Gyula; Platas-Iglesias, Carlos","Stable Mn(2+), Cu(2+) and Ln(3+) complexes with cyclen-based ligands functionalized with picolinate pendant arms.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5017","5031","10.1039/c4dt02985b","","x-ray","0.71073","MoKα","","0.1087","0.0516","","","0.0804","0.0907","","","","","","0.817","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7033767","10.1189","0.0001","13.5588","0.0002","14.7171","0.0002","90","","90","","90","","2019.19","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 Al Cl2 N2 Zr -","- C17 H27 Al Cl2 N2 Zr -","- C68 H108 Al4 Cl8 N8 Zr4 -","4","1","","Hwang, Eun Yeong; Park, Geun Ho; Lee, Chun Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul","Preparation of octahydro- and tetrahydro-[1,10]phenanthroline zirconium and hafnium complexes for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3845","3855","10.1039/c4dt03683b","","","0.71073","MoKα","","0.0229","0.0213","","","0.0527","0.0537","","","","","","1.052","","","","has coordinates","180043","2020-10-21","18:00:00",""
"7033768","10.362","0.002","13.598","0.003","28.407","0.007","90","","90","","90","","4002.6","1.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H56 Hf N2 -","- C44 H56 Hf N2 -","- C176 H224 Hf4 N8 -","4","1","","Hwang, Eun Yeong; Park, Geun Ho; Lee, Chun Sun; Kang, Yi Young; Lee, Junseong; Lee, Bun Yeoul","Preparation of octahydro- and tetrahydro-[1,10]phenanthroline zirconium and hafnium complexes for olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3845","3855","10.1039/c4dt03683b","","","0.71073","MoKα","","0.0607","0.0437","","","0.1076","0.1241","","","","","","1.042","","","","has coordinates,has disorder","180043","2020-10-21","18:00:00",""
"7033823","12.9082","0.0003","14.971","0.0004","16.9463","0.0004","90","","90","","90","","3274.85","0.14","200","1","200","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 Co Cu N8 O11 Tb -","- C25 H34 Co Cu N8 O11 Tb -","- C100 H136 Co4 Cu4 N32 O44 Tb4 -","4","1","","Bridonneau, N.; Gontard, G.; Marvaud, V.","A new family of hetero-tri-metallic complexes [M(CuTb)]n (n = 1, 2, ∞; M = Co, Cr, Fe): synthesis, structure and tailored single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5170","5178","10.1039/c4dt03757j","","","0.71073","MoKα","","0.0166","0.0146","","","0.0331","0.0339","","","","","","1.053","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033824","13.2421","0.0003","15.1115","0.0004","17.036","0.0004","90","","90","","90","","3409.04","0.14","200","1","200","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 Cr Cu N8 O11 Tb -","- C25 H34 Cr Cu N8 O11 Tb -","- C100 H136 Cr4 Cu4 N32 O44 Tb4 -","4","1","","Bridonneau, N.; Gontard, G.; Marvaud, V.","A new family of hetero-tri-metallic complexes [M(CuTb)]n (n = 1, 2, ∞; M = Co, Cr, Fe): synthesis, structure and tailored single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2015","44","11","5170","5178","10.1039/c4dt03757j","","","0.71073","MoKα","","0.0353","0.0267","","","0.0486","0.051","","","","","","1.011","","","","has coordinates,has disorder","180044","2020-10-21","18:00:00",""
"7033892","9.2543","0.0006","10.038","0.0008","23.8749","0.0019","90","","90","","90","","2217.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Cu(HSerbenz)2].3(H2O)","","","- C20 H30 Cu N2 O9 -","- C20 H30 Cu N2 O9 -","- C80 H120 Cu4 N8 O36 -","4","1","","Kumar, Navnita; Khullar, Sadhika; Mandal, Sanjay K.","Controlling the self-assembly of homochiral coordination architectures of Cu(II) by substitution in amino acid based ligands: synthesis, crystal structures and physicochemical properties.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5672","5687","10.1039/c4dt03643c","","","0.71073","MoKα","","0.048","0.0341","","","0.0616","0.0675","","","","","","0.916","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7033943","11.0053","0.0002","23.2346","0.0003","23.3093","0.0004","90","","90","","90","","5960.28","0.17","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C61.75 H54 Cl2.25 F6 Ir O1.75 P5 Pt -","- C61.75 H54 Cl2.25 F6 Ir O1.75 P5 Pt -","- C247 H216 Cl9 F24 Ir4 O7 P20 Pt4 -","4","1","","Sterenberg, Brian T.; Wrigley, Christian T.; Puddephatt, Richard J.","Binuclear platinum-iridium complexes: synthesis, reactivity and luminescence.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5555","5568","10.1039/c4dt03966a","","","0.71073","MoKα","","0.0666","0.0409","","","0.0829","0.0891","","","","","","0.964","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033954","9.9646","0.001","19.4922","0.0019","26.587","0.003","90","","90","","90","","5164","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H83 N2 O2 Si Y -","- C54 H83 N2 O2 Si Y -","- C216 H332 N8 O8 Si4 Y4 -","4","1","","Kissel, Alexander A.; Mahrova, Tatyana V.; Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Del Rosal, Iker; Maron, Laurent","Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination.","Dalton transactions (Cambridge, England : 2003)","2015","44","27","12137","12148","10.1039/c5dt00129c","","","0.71073","MoKα","","0.0369","0.0341","","","0.0811","0.0822","","","","","","1.038","","","","has coordinates,has disorder","180045","2020-10-21","18:00:00",""
"7033969","4.712","0.0002","16.4085","0.0007","17.6773","0.0008","90","","90","","90","","1366.75","0.1","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Br2 Cl Hg N2 -","- C12 H9 Br2 Cl Hg N2 -","- C48 H36 Br8 Cl4 Hg4 N8 -","4","1","","Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej","The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5703","5712","10.1039/c4dt03638g","","","0.7107","MoKα","","0.0238","0.0221","","","0.0473","0.0484","","","","","","1.034","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7033973","4.759","0.0002","16.98","0.001","18.1555","0.0007","90","","90","","90","","1467.11","0.12","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Cl Hg I2 N2 -","- C12 H9 Cl Hg I2 N2 -","- C48 H36 Cl4 Hg4 I8 N8 -","4","1","","Azhdari Tehrani, Alireza; Morsali, Ali; Kubicki, Maciej","The role of weak hydrogen and halogen bonding interactions in the assembly of a series of Hg(ii) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5703","5712","10.1039/c4dt03638g","","","0.7107","MoKα","","0.05","0.049","","","0.1052","0.1064","","","","","","0.977","","","","has coordinates","180045","2020-10-21","18:00:00",""
"7034016","10.005","0.003","18.631","0.006","19.444","0.006","90","","90","","90","","3624.4","1.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H28 Cd N6 O6 -","- C37 H28 Cd N6 O6 -","- C148 H112 Cd4 N24 O24 -","4","1","","Zhang, Ming-Dao; Shi, Zhi-Qiang; Chen, Min-Dong; Zheng, He-Gen","Chiral crystallization and optical properties of three metal complexes based on two non-centrosymmetric tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5818","5825","10.1039/c5dt00292c","","","0.71073","MoKα","","0.0694","0.061","","","0.1569","0.162","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7034017","9.734","0.005","18.245","0.009","19.123","0.01","90","","90","","90","","3396","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H30 Co N6 O7 -","- C37 H30 Co N6 O7 -","- C148 H120 Co4 N24 O28 -","4","1","","Zhang, Ming-Dao; Shi, Zhi-Qiang; Chen, Min-Dong; Zheng, He-Gen","Chiral crystallization and optical properties of three metal complexes based on two non-centrosymmetric tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5818","5825","10.1039/c5dt00292c","","","0.71073","MoKα","","0.1306","0.0758","","","0.1582","0.189","","","","","","1.001","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7034208","8.3567","0.0016","14.188","0.003","14.676","0.003","90","","90","","90","","1740.1","0.6","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cl2 O Pd S Te -","- C15 H16 Cl2 O Pd S Te -","- C60 H64 Cl8 O4 Pd4 S4 Te4 -","4","1","","Kumar Rao, Gyandshwar; Kumar, Arun; Saleem, Fariha; Singh, Mahabir P.; Kumar, Satyendra; Kumar, Bharat; Mukherjee, Goutam; Singh, Ajai K.","Palladium(ii)-1-phenylthio-2-arylchalcogenoethane complexes: palladium phosphide nano-peanut and ribbon formation controlled by chalcogen and Suzuki coupling activation.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6600","6612","10.1039/c4dt03471f","","","0.71073","MoKα","","0.0419","0.0398","","","0.0745","0.0754","","","","","","1.164","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034244","7.3971","0.0001","13.2575","0.0002","23.8535","0.0004","90","","90","","90","","2339.24","0.06","183","2","183","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]-<i>N</i>-{2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]ethyl}ethanamine-κ<i>N</i>)(dichloro)(nitrosyl)molybdenum","","- C16 H37 Cl2 Mo N2 O P2 -","- C16 H37 Cl2 Mo N2 O P2 -","- C64 H148 Cl8 Mo4 N8 O4 P8 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Berke, Heinz","Ligand assisted carbon dioxide activation and hydrogenation using molybdenum and tungsten amides.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6560","6570","10.1039/c5dt00278h","","","0.71073","MoKα","","0.042","0.0351","","","0.0852","0.0872","","","","","","1.03","","","","has coordinates","180048","2020-10-21","18:00:00",""
"7034245","7.4129","0.0001","13.2003","0.0002","23.88","0.0005","90","","90","","90","","2336.72","0.07","183","2","183","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]-<i>N</i>-{2-[bis(1-methylethyl)phosphanyl-κ<i>P</i>]ethyl}ethanamine-κ<i>N</i>)(dichloro)(nitrosyl)tungsten","","- C16 H37 Cl2 N2 O P2 W -","- C16 H37 Cl2 N2 O P2 W -","- C64 H148 Cl8 N8 O4 P8 W4 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Berke, Heinz","Ligand assisted carbon dioxide activation and hydrogenation using molybdenum and tungsten amides.","Dalton transactions (Cambridge, England : 2003)","2015","44","14","6560","6570","10.1039/c5dt00278h","","","0.71073","MoKα","","0.0473","0.0329","","","0.0488","0.0505","","","","","","0.895","","","","has coordinates,has disorder","180048","2020-10-21","18:00:00",""
"7034304","15.266","0.002","18.419","0.003","19.316","0.003","90","","90","","90","","5431.4","1.4","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H86 Cl2 Li N3 O4 Si Zr -","- C48 H86 Cl2 Li N3 O4 Si Zr -","- C192 H344 Cl8 Li4 N12 O16 Si4 Zr4 -","4","1","","Lummis, Paul A.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Synthesis, characterisation, and dehydrocoupling ability of zirconium complexes bearing hindered bis(amido)silyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7009","7020","10.1039/c5dt00306g","","","0.71073","MoKα","","0.0586","0.0485","","","0.1088","0.1135","","","","","","1.054","","","","has coordinates,has disorder","180049","2020-10-21","18:00:00",""
"7034305","15.4463","0.0017","18.451","0.002","18.574","0.002","90","","90","","90","","5293.6","1","173","2","173","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C46 H84 B Cl2 Li N2 O4 Si Zr -","- C46 H84 B Cl2 Li N2 O4 Si Zr -","- C184 H336 B4 Cl8 Li4 N8 O16 Si4 Zr4 -","4","1","","Lummis, Paul A.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Synthesis, characterisation, and dehydrocoupling ability of zirconium complexes bearing hindered bis(amido)silyl ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","7009","7020","10.1039/c5dt00306g","","","0.71073","MoKα","","0.0829","0.0795","","","0.2073","0.2096","","","","","","1.145","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034312","6.275","0.0002","19.7316","0.0007","24.4396","0.0008","90","","90","","90","","3026.01","0.18","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-N,N'-[1-(1-Ferrocenyl-2-phenyl)-ethyl]-urea","","- C37 H38 Fe2 N2 O2 -","- C37 H38 Fe2 N2 O2 -","- C148 H152 Fe8 N8 O8 -","4","1","","Mulas, Andrea; Willener, Yasmine; Carr-Smith, James; Joly, Kevin M.; Male, Louise; Moody, Christopher J.; Horswell, Sarah L.; Nguyen, Huy V.; Tucker, James H. R.","The effect of central and planar chirality on the electrochemical and chiral sensing properties of ferrocenyl urea H-bonding receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7268","7275","10.1039/c5dt00554j","","","0.71073","MoKα","","0.0752","0.0499","","","0.0736","0.0792","","","","","","1.043","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034313","8.5102","0.0004","8.7702","0.0005","26.0912","0.0015","90","","90","","90","","1947.35","0.18","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Fe2 N2 O -","- C23 H24 Fe2 N2 O -","- C92 H96 Fe8 N8 O4 -","4","1","","Mulas, Andrea; Willener, Yasmine; Carr-Smith, James; Joly, Kevin M.; Male, Louise; Moody, Christopher J.; Horswell, Sarah L.; Nguyen, Huy V.; Tucker, James H. R.","The effect of central and planar chirality on the electrochemical and chiral sensing properties of ferrocenyl urea H-bonding receptors.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7268","7275","10.1039/c5dt00554j","","","0.71073","MoKα","","0.0932","0.0671","","","0.1164","0.1287","","","","","","1.169","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034323","10.4264","0.0005","17.409","0.0008","27.1794","0.0012","90","","90","","90","","4933.4","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Cl2 Ir N6 O -","- C22 H27 Cl2 Ir N6 O -","- C176 H216 Cl16 Ir8 N48 O8 -","8","2","","Roa, A. E.; Campos, J.; Paneque, M.; Salazar, V.; Otero, A.; Lara-Sánchez, A; Rodríguez, A M; López-Solera, I; Gómez, M V","Synthesis of new heteroscorpionate iridium(i) and iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","15","6987","6998","10.1039/c5dt00482a","","","0.71073","MoKα","","0.0382","0.0307","","","0.0588","0.0629","","","","","","0.988","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7034382","8.3601","0.0002","11.2089","0.0003","19.8455","0.0005","90","","90","","90","","1859.67","0.08","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As La N6 S4 -","- C8 H26 As La N6 S4 -","- C32 H104 As4 La4 N24 S16 -","4","1","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0324","0.0279","","","0.046","0.0477","","","","","","1.017","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034383","8.3413","0.0002","11.1822","0.0003","19.7987","0.0005","90","","90","","90","","1846.71","0.08","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As Ce N6 S4 -","- C8 H26 As Ce N6 S4 -","- C32 H104 As4 Ce4 N24 S16 -","4","1","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0302","0.0277","","","0.0495","0.0509","","","","","","1.007","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034384","8.3354","0.0002","11.159","0.0002","19.7264","0.0004","90","","90","","90","","1834.85","0.07","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As N6 Pr S4 -","- C8 H26 As N6 Pr S4 -","- C32 H104 As4 N24 Pr4 S16 -","4","1","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0319","0.029","","","0.0548","0.0573","","","","","","1.035","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034385","8.491","0.01","11.211","0.013","19.69","0.02","90","","90","","90","","1874","4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As N6 Nd S4 -","- C8 H26 As N6 Nd S4 -","- C32 H104 As4 N24 Nd4 S16 -","4","1","","Zhou, Jian; Zhao, Rong-Qing; Yang, Tao; Liu, Xing; Xiao, Hong-Ping; Zou, Hua-Hong; Tan, Xiao-Feng","A series of new lanthanoid thioarsenates: insights into the influence of lanthanide contraction on the formation of new lanthanoid thioarsenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7203","7212","10.1039/c4dt03912b","","","0.71073","MoKα","","0.0207","0.02","","","0.0682","0.0688","","","","","","1.183","","","","has coordinates","180049","2020-10-21","18:00:00",""
"7034415","10.7959","0.0001","14.6502","0.0002","28.721","0.0004","90","","90","","90","","4542.57","0.1","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H36 Cl3 Ir4 O9 P W -","- C43 H36 Cl3 Ir4 O9 P W -","- C172 H144 Cl12 Ir16 O36 P4 W4 -","4","1","","Simpson, Peter V.; Randles, Michael D.; Gupta, Vivek; Fu, Junhong; Moxey, Graeme J.; Schwich, Torsten; Morshedi, Mahbod; Cifuentes, Marie P.; Humphrey, Mark G.","Phosphine, isocyanide, and alkyne reactivity at pentanuclear molybdenum/tungsten-iridium clusters.","Dalton transactions (Cambridge, England : 2003)","2015","44","16","7292","7304","10.1039/c5dt00525f","","","0.71073","MoKα","","0.046","0.0371","","","0.085","0.0892","","","","","","1.02","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034469","7.5138","0.0006","8.1663","0.0006","19.9151","0.0014","90","","90","","90","","1221.99","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NaDinitrocyanomethide","sodium dinitrocyanomethide","","- C2 H2 N3 Na O5 -","- C2 H2 N3 Na O5 -","- C16 H16 N24 Na8 O40 -","8","2","","Haiges, Ralf; Christe, Karl O.","5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10166","10176","10.1039/c5dt00291e","","","0.71073","MoKα","","0.0274","0.0253","","","0.0651","0.0661","","","","","","1.06","","","","has coordinates","180050","2020-10-21","18:00:00",""
"7034596","8.0231","0.0016","12.525","0.003","12.668","0.003","90","","90","","90","","1273","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 Cl N O4 -","- C9 H20 Cl N O4 -","- C36 H80 Cl4 N4 O16 -","4","1","","Shi, Ping-Ping; Ye, Qiong; Li, Qiang; Wang, Hui-Ting; Fu, Da-Wei; Zhang, Yi; Xiong, Ren-Gen","Crystal structures, phase transitions, and switchable dielectric behaviors: comparison of a series of N-heterocyclic ammonium perchlorates.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8221","8231","10.1039/c5dt00263j","","","0.71073","MoKα","","0.1245","0.1015","","","0.2802","0.3097","","","","","","1.163","","","","has coordinates","180051","2020-10-21","18:00:00",""
"7034645","11.9943","0.0005","13.8275","0.0005","21.8642","0.0008","90","","90","","90","","3626.2","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H55 N3 Si2 Zn -","- C33 H55 N3 Si2 Zn -","- C132 H220 N12 Si8 Zn4 -","4","1","","Roberts, Andrew J.; Clegg, William; Kennedy, Alan R.; Probert, Michael R.; Robertson, Stuart D.; Hevia, Eva","Two alternative approaches to access mixed hydride-amido zinc complexes: synthetic, structural and solution implications.","Dalton transactions (Cambridge, England : 2003)","2015","44","17","8169","8177","10.1039/c5dt00312a","","","0.71073","MoKα","","0.0549","0.0399","","","0.07","0.076","","","","","","1.041","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034690","5.8129","0.0001","11.4171","0.0001","19.4879","0.0003","90","","90","","90","","1293.34","0.03","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N2 O4 Re -","- C11 H13 N2 O4 Re -","- C44 H52 N8 O16 Re4 -","4","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0203","0.0183","","","0.0314","0.0319","","","","","","0.985","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034697","9.6255","0.0003","11.6206","0.0004","15.4559","0.0005","90","","90","","90","","1728.81","0.1","123","","123","","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 F5 N2 O4 Re -","- C14 H14 F5 N2 O4 Re -","- C56 H56 F20 N8 O16 Re4 -","4","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0221","0.0205","","","0.047","0.0474","","","","","","1.032","","","","has coordinates","180052","2020-10-21","18:00:00",""
"7034700","6.5996","0.0002","12.4519","0.0003","23.9499","0.0006","90","","90","","90","","1968.14","0.09","123","","123","","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H7 F10 N2 O4 Re -","- C17 H7 F10 N2 O4 Re -","- C68 H28 F40 N8 O16 Re4 -","4","1","","Reich, Robert M.; Cokoja, Mirza; Markovits, Iulius I. E.; Münchmeyer, Christian J; Kaposi, Marlene; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E","Influence of substituents on cation-anion contacts in imidazolium perrhenates.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8669","8677","10.1039/c5dt00735f","","x-ray","0.71073","MoKα","","0.0219","0.0185","","","0.0351","0.0358","","","","","","1.017","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034741","14.286","0.003","15.106","0.003","23.05","0.005","90","","90","","90","","4974.3","1.8","113","2","113","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H46 Cl2 Cu2 F12 N6 O0 P2 -","- C48 H46 Cl2 Cu2 F12 N6 P2 -","- C192 H184 Cl8 Cu8 F48 N24 P8 -","4","1","","Zhou, Xue-Quan; Sun, Qian; Jiang, Lin; Li, Si-Tong; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, characterization, DNA/BSA interactions and anticancer activity of achiral and chiral copper complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9516","9527","10.1039/c5dt00931f","","","0.71073","MoKα","","0.0506","0.0468","","","0.1197","0.1232","","","","","","1.04","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034742","14.258","0.003","15.075","0.003","23.007","0.005","90","","90","","90","","4945.1","1.8","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl Cu F6 N3 P -","- C24 H23 Cl Cu F6 N3 P -","- C192 H184 Cl8 Cu8 F48 N24 P8 -","8","2","","Zhou, Xue-Quan; Sun, Qian; Jiang, Lin; Li, Si-Tong; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, characterization, DNA/BSA interactions and anticancer activity of achiral and chiral copper complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9516","9527","10.1039/c5dt00931f","","","0.71073","MoKα","","0.0533","0.0485","","","0.118","0.1214","","","","","","1.026","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7034743","12.0797","0.0002","14.2249","0.0003","17.4935","0.0003","90","","90","","90","","3005.95","0.1","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cu F6 N3 O2 P -","- C29 H30 Cu F6 N3 O2 P -","- C116 H120 Cu4 F24 N12 O8 P4 -","4","1","","Zhou, Xue-Quan; Sun, Qian; Jiang, Lin; Li, Si-Tong; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, characterization, DNA/BSA interactions and anticancer activity of achiral and chiral copper complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9516","9527","10.1039/c5dt00931f","","","0.71073","MoKα","","0.0428","0.0389","","","0.1071","0.1129","","","","","","0.76","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034744","11.948","0.003","14.11","0.003","17.229","0.004","90","","90","","90","","2904.6","1.2","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 Cu F6 N3 O2 P -","- C29 H30 Cu F6 N3 O2 P -","- C116 H120 Cu4 F24 N12 O8 P4 -","4","1","","Zhou, Xue-Quan; Sun, Qian; Jiang, Lin; Li, Si-Tong; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping","Synthesis, characterization, DNA/BSA interactions and anticancer activity of achiral and chiral copper complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9516","9527","10.1039/c5dt00931f","","","0.71073","MoKα","","0.0411","0.0387","","","0.0912","0.0936","","","","","","0.738","","","","has coordinates","180053","2020-10-21","18:00:00",""
"7034799","8.3293","0.0006","10.3564","0.0007","10.3564","0.0007","90","","90","","90","","893.36","0.11","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H17 Cl N2 -","- C7 H17 Cl N2 -","- C28 H68 Cl4 N8 -","4","1","","Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian","Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9569","9580","10.1039/c5dt01120e","","","0.71073","MoKα","","0.0448","0.0354","","","0.0797","0.0847","","","","","","0.961","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7034864","10.6572","0.0003","10.9091","0.0003","20.6522","0.0006","90","","90","","90","","2401.03","0.12","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 F3 N2 O5 S Si -","- C18 H33 F3 N2 O5 S Si -","- C72 H132 F12 N8 O20 S4 Si4 -","4","1","","Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9400","9408","10.1039/c5dt01362c","","","1.54184","CuKα","","0.0243","0.0238","","","0.0595","0.0598","","","","","","1.045","","","","has coordinates","138662","2020-10-21","18:00:00",""
"7034883","7.8101","0.0002","16.5834","0.0004","18.9331","0.0007","90","","90","","90","","2452.18","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 F5 O P2 Rh -","- C21 H32 F5 O P2 Rh -","- C84 H128 F20 O4 P8 Rh4 -","4","1","","Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul","Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9450","9469","10.1039/c5dt00819k","","","0.71073","MoKα","","0.0318","0.0285","","","0.0663","0.0675","","","","","","1.042","","","","has coordinates","138663","2020-10-21","18:00:00",""
"7034942","13.0818","0.0002","14.6943","0.0002","18.6957","0.0003","90","","90","","90","","3593.84","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Cl4 Ga N2 O -","- C33 H43 Cl4 Ga N2 O -","- C132 H172 Cl16 Ga4 N8 O4 -","4","1","","Ghosh, Swarup; Gowda, Ravikumar R.; Jagan, Rajamony; Chakraborty, Debashis","Gallium and indium complexes containing the bis(imino)phenoxide ligand: synthesis, structural characterization and polymerization studies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10410","10422","10.1039/c5dt00811e","","","0.71073","MoKα","","0.0288","0.0238","","","0.0518","0.0524","","","","","","0.967","","","","has coordinates","138600","2020-10-21","18:00:00",""
"7034953","15.4568","0.0012","15.5903","0.0008","16.3952","0.0011","90","","90","","90","","3950.9","0.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H49 Cl N3 O P2 Rh -","- C25 H49 Cl N3 O P2 Rh -","- C100 H196 Cl4 N12 O4 P8 Rh4 -","4","1","","Wang, Yuan; Zheng, Bin; Pan, Yupeng; Pan, Chengling; He, Lipeng; Huang, Kuo-Wei","C-H and H-H bond activation via ligand dearomatization/rearomatization of a PN(3)P-rhodium(i) complex.","Dalton transactions (Cambridge, England : 2003)","2015","44","34","15111","15115","10.1039/c5dt00787a","","","0.71073","MoKα","","0.0625","0.0447","","","0.1065","0.1171","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7034987","6.6352","0.0008","13.0006","0.0016","15.6451","0.0019","90","","90","","90","","1349.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 Cl6 N O2 W -","- C5 H9 Cl6 N O2 W -","- C20 H36 Cl24 N4 O8 W4 -","4","1","","Bortoluzzi, Marco; Marchetti, Fabio; Murrali, Maria Grazia; Pampaloni, Guido; Zacchini, Stefano","The chlorinating behaviour of WCl6 towards α-aminoacids.","Dalton transactions (Cambridge, England : 2003)","2015","44","18","8729","8738","10.1039/c5dt00518c","","","0.71073","MoKα","","0.0248","0.0235","","","0.046","0.0463","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035005","11.6715","0.0002","13.6877","0.0002","20.5488","0.0004","90","","90","","90","","3282.79","0.1","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 Cl2 N3 Pd -","- C38 H35 Cl2 N3 Pd -","- C152 H140 Cl8 N12 Pd4 -","4","1","","Teci, Matthieu; Brenner, Eric; Matt, Dominique; Gourlaouen, Christophe; Toupet, Loïc","N-Alkylfluorenyl-substituted N-heterocyclic carbenes as bimodal pincers.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9260","9268","10.1039/c5dt00980d","","","0.71073","MoKα","","0.0592","0.0378","","","0.0598","0.0631","","","","","","0.869","","","","has coordinates","138722","2020-10-21","18:00:00",""
"7035006","11.6469","0.0002","13.7077","0.0002","20.4229","0.0003","90","","90","","90","","3260.56","0.09","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H33 Cl2 N3 Pd -","- C38 H33 Cl2 N3 Pd -","- C152 H132 Cl8 N12 Pd4 -","4","1","","Teci, Matthieu; Brenner, Eric; Matt, Dominique; Gourlaouen, Christophe; Toupet, Loïc","N-Alkylfluorenyl-substituted N-heterocyclic carbenes as bimodal pincers.","Dalton transactions (Cambridge, England : 2003)","2015","44","19","9260","9268","10.1039/c5dt00980d","","","0.71073","MoKα","","0.0289","0.0244","","","0.0517","0.0526","","","","","","0.969","","","","has coordinates","138722","2020-10-21","18:00:00",""
"7035037","9.6527","0.0005","13.7958","0.0007","20.2585","0.001","90","","90","","90","","2697.8","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 B11 -","- C26 H37 B11 -","- C104 H148 B44 -","4","1","","Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Rendina, Louis M.; Low, Paul J.; Weber, Lothar; Fox, Mark A.","Syntheses and reductions of C-dimesitylboryl-1,2-dicarba-closo-dodecaboranes.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9766","9781","10.1039/c5dt00758e","","","1.54178","CuKα","","0.031","0.0306","","","0.0818","0.0826","","","","","","1.055","","","","has coordinates","138691","2020-10-21","18:00:00",""
"7035048","10.06798","0.00012","16.8748","0.0002","26.8615","0.0004","90","","90","","90","","4563.64","0.1","123.01","0.1","123.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H60 N2 O6 S2 W -","- C44 H60 N2 O6 S2 W -","- C176 H240 N8 O24 S8 W4 -","4","1","","Salojärvi, E; Peuronen, A.; Sillanpää, R; Damlin, P.; Kivelä, H; Lehtonen, A.","Aminobisphenolate supported tungsten disulphido and dithiolene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9409","9416","10.1039/c5dt00995b","","x-ray","1.54184","CuKα","","0.0241","0.0232","","","0.0596","0.0602","","","","","","1.041","","","","has coordinates","138675","2020-10-21","18:00:00",""
"7035057","12.5232","0.0004","15.3824","0.0005","20.9494","0.0006","90","","90","","90","","4035.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 F6 P4 Pt -","- C43 H48 F6 P4 Pt -","- C172 H192 F24 P16 Pt4 -","4","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","0.71073","MoKα","","0.0226","0.0198","","","0.0387","0.0394","","","","","","0.911","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035059","11.5207","0.0004","17.2787","0.0005","22.7156","0.0007","90","","90","","90","","4521.8","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","GW","","","- C47 H56 F6 O P4 Pt -","- C47 H56 F6 O P4 Pt -","- C188 H224 F24 O4 P16 Pt4 -","4","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","0.71073","MoKα","","0.0462","0.0438","","","0.0684","0.0719","","","","","","1.023","","","","has coordinates,has disorder","138694","2020-10-21","18:00:00",""
"7035062","11.698","0.003","17.675","0.003","19.808","0.005","90","","90","","90","","4095.5","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","GWr154","","","- C43 H48 F6 P4 Pt -","- C43 H48 F6 P4 Pt -","- C172 H192 F24 P16 Pt4 -","4","1","","Wang, Ge; Guino-O, Marites A; Glueck, David S.; Golen, James A.; Daley, Christopher J. A.; Rheingold, Arnold L.","Synthesis of a phosphapyracene via metal-mediated cyclization: structural and reactivity effects of acenaphthene precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","21","9943","9954","10.1039/c5dt00520e","","","0.71073","MoKα","","0.0524","0.0413","","","0.0803","0.0855","","","","","","0.888","","","","has coordinates","138694","2020-10-21","18:00:00",""
"7035091","14.8875","0.0009","20.1518","0.0013","32.0673","0.0008","90","","90","","90","","9620.5","0.9","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C111 H96 B3 N9 -","- C111 H96 B3 N9 -","- C444 H384 B12 N36 -","4","1","","Glotzbach, Christoph; Gödeke, Nadine; Fröhlich, Roland; Daniliuc, Constantin-Gabriel; Saito, Shohei; Yamaguchi, Shigehiro; Würthwein, Ernst-Ulrich","Fluorescent benzene-centered mono-, bis- and tris-triazapentadiene-boron complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","20","9659","9671","10.1039/c5dt00908a","","","1.54178","CuKα","","0.2002","0.0833","","","0.151","0.1842","","","","","","0.971","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035159","10.718","0.002","16.199","0.003","27.605","0.006","90","","90","","90","","4792.8","1.6","176","2","176","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H59 Co F6 N7 O7 S2 -","- C42 H59 Co F6 N7 O7 S2 -","- C168 H236 Co4 F24 N28 O28 S8 -","4","1","","Matson, Ellen M.; Park, Yun Ji; Bertke, Jeffery A.; Fout, Alison R.","Synthesis and characterization of M(ii) (M = Mn, Fe and Co) azafulvene complexes and their X3(-) derivatives.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10377","10384","10.1039/c5dt00985e","","","0.71073","MoKα","","0.0524","0.0373","","","0.0827","0.0881","","","","","","1.016","","","","has coordinates,has disorder","138614","2020-10-21","18:00:00",""
"7035269","18.6089","0.0017","24.713","0.002","25.418","0.002","90","","90","","90","","11689.3","1.7","298","2","298","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C12 H72 La2 Li6 N2 Na4 O100 Sb2 W18 -","- C12 H8 La2 N2 Na3.55 O78.5 Sb2 W18 -","- C48 H32 La8 N8 Na14.2 O314 Sb8 W72 -","4","1","","Li, Lu-Lu; Han, Hua-Yan; Wang, Yong-Hui; Tan, Hua-Qiao; Zang, Hong-Ying; Li, Yang-Guang","Construction of polyoxometalates from dynamic lacunary polyoxotungstate building blocks and lanthanide linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11429","11436","10.1039/c5dt00686d","","","0.71073","MoKα","","0.1009","0.0557","","","0.0843","0.0934","","","","","","0.984","","","","has coordinates,has disorder","143561","2020-10-21","18:00:00",""
"7035271","18.333","0.004","24.5","0.005","25.269","0.005","90","","90","","90","","11350","4","298","2","298","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C12 H50 Li7 N2 Na3 O89 Pr2 Sb2 W18 -","- C12 H8 N2 Na2.5 O72 Pr2 Sb2 W18 -","- C48 H32 N8 Na10 O288 Pr8 Sb8 W72 -","4","1","","Li, Lu-Lu; Han, Hua-Yan; Wang, Yong-Hui; Tan, Hua-Qiao; Zang, Hong-Ying; Li, Yang-Guang","Construction of polyoxometalates from dynamic lacunary polyoxotungstate building blocks and lanthanide linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","25","11429","11436","10.1039/c5dt00686d","","","0.71073","MoKα","","0.164","0.0823","","","0.1297","0.1538","","","","","","0.903","","","","has coordinates,has disorder","143561","2020-10-21","18:00:00",""
"7035371","10.7899","0.0002","11.8705","0.0002","31.0457","0.0007","90","","90","","90","","3976.38","0.13","100","2","100","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 Co2 Mo2 O6 P S -","- C34 H39 Co2 Mo2 O6 P S -","- C136 H156 Co8 Mo8 O24 P4 S4 -","4","1","","Alvarez, Belén; Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.","P-S bond cleavage in reactions of thiophosphinidene-bridged dimolybdenum complexes with [Co2(CO)8] to give phosphinidene-bridged heterometallic derivatives.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1937","1952","10.1039/c5dt01450f","","x-ray","1.54184","CuKα","","0.0701","0.058","","","0.1467","0.1537","","","","","","1.085","","","","has coordinates","176079","2020-10-21","18:00:00",""
"7035453","13.033","0.008","19.851","0.011","22.521","0.011","90","","90","","90","","5827","6","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H56 O4 Si4 -","- C70 H56 O4 Si4 -","- C280 H224 O16 Si16 -","4","1","","Cai, Yuanjing; Samedov, Kerim; Dolinar, Brian S.; Albright, Haley; Song, Zhegang; Zhang, Chaocan; Tang, Ben Zhong; West, Robert","AEE-active cyclic tetraphenylsilole derivatives with σim 100% solid-state fluorescence quantum efficiency.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12970","12975","10.1039/c5dt01846c","","x-ray","0.71073","MoKα","K-L~3~","0.0837","0.0567","","","0.1231","0.1345","","","","","","1.028","","","","has coordinates,has disorder","153205","2020-10-21","18:00:00",""
"7035456","15.909","0.0002","26.1828","0.0004","30.3819","0.0006","90","","90","","90","","12655.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H65 As12 O78.5 S12 Th8 -","- C72 H65 As12 O78.5 S12 Th8 -","- C288 H260 As48 O314 S48 Th32 -","4","1","","Qian, Xiang-Ying; Zhou, Tian-Hua; Mao, Jiang-Gao","New thorium(iv)-arsonates with a [Th8O13](6+) octanuclear core.","Dalton transactions (Cambridge, England : 2003)","2015","44","30","13573","13580","10.1039/c5dt01370d","","","1.54178","CuKα","","0.0821","0.0715","","","0.1865","0.2005","","","","","","1.044","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7035460","10.175","0.0003","11.9208","0.0004","16.3031","0.0005","90","","90","","90","","1977.47","0.11","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 P -","- C21 H29 P -","- C84 H116 P4 -","4","1","","Klöcker, Hans; Roters, Steffi; Hepp, Alexander; Uhl, Werner","Alkynyl functionalized Al/P-based frustrated Lewis pairs - aluminium alkynide elimination and evidence for the formation of 3H-phosphaallenes [R-P[double bond, length as m-dash]C[double bond, length as m-dash]C(H)-(t)Bu].","Dalton transactions (Cambridge, England : 2003)","2015","44","28","12670","12679","10.1039/c5dt01607j","","","0.71073","MoKα","","0.05","0.045","","","0.1125","0.1158","","","","","","1.055","","","","has coordinates,has disorder","143679","2020-10-21","18:00:00",""
"7035520","13.9325","0.0012","26.873","0.002","27.147","0.002","90","","90","","90","","10164.1","1.4","173","2","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C86 H110 Cd2 N8 O15 Ti2 -","- C86 H110 Cd2 N8 O15 Ti2 -","- C344 H440 Cd8 N32 O60 Ti8 -","4","1","","Du, Xia; Li, Zijian; Liu, Yan; Yang, Shiping; Cui, Yong","Chiral porous metal-organic frameworks containing μ-oxo-bis[Ti(salan)] units for asymmetric cyanation of aldehydes.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","12999","13002","10.1039/c5dt01682g","","","1.54178","CuKα","","0.077","0.0511","","","0.1166","0.1307","","","","","","0.893","","","","has coordinates","153190","2020-10-21","18:00:00",""
"7035526","8.5336","0.0003","8.7427","0.0003","18.1777","0.0006","90","","90","","90","","1356.18","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H5 F15 Si -","- C8 H5 F15 Si -","- C32 H20 F60 Si4 -","4","1","","Waerder, Benedikt; Steinhauer, Simon; Bader, Julia; Neumann, Beate; Stammler, Hans-Georg; Vishnevskiy, Yury V.; Hoge, Berthold; Mitzel, Norbert W.","Pentafluoroethyl-substituted α-silanes: model compounds for new insights.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13347","13358","10.1039/c5dt02010g","","x-ray","0.71073","MoKα","","0.0385","0.0374","","","0.1015","0.1025","","","","","","1.168","","","","has coordinates","153197","2020-10-21","18:00:00",""
"7035591","14.287","0.002","21.502","0.004","37.246","0.006","90","","90","","90","","11442","3","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 F6 N P3 Ru -","- C43 H40 F6 N P3 Ru -","- C516 H480 F72 N12 P36 Ru12 -","12","3","","Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Howard, Judith A. K.; Low, Paul J.","Syntheses, structural characterisation and electronic structures of some simple acyclic amino carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","32","14341","14348","10.1039/c5dt01806d","","x-ray","0.71073","MoKα","K-L~3~","0.0679","0.0528","","","0.1167","0.1265","","","","","","1.03","","","","has coordinates,has disorder","153224","2020-10-21","18:00:00",""
"7035594","9.7934","0.0002","17.1179","0.0004","19.1737","0.0004","90","","90","","90","","3214.33","0.12","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 Cl2 F3 Fe P2 Pt -","- C35 H35 Cl2 F3 Fe P2 Pt -","- C140 H140 Cl8 F12 Fe4 P8 Pt4 -","4","1","","Schwenk, R.; Togni, A.","P-Trifluoromethyl ligands derived from Josiphos in the Ir-catalysed hydrogenation of 3,4-dihydroisoquinoline hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19566","19575","10.1039/c5dt02019k","","","0.71073","MoKα","","0.0156","0.0148","","","0.0299","0.03","","","","","","0.943","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035595","13.244","0.0013","15.1859","0.0015","19.438","0.0019","90","","90","","90","","3909.4","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H36 Cl5 F3 Fe P2 Pt -","- C36 H36 Cl5 F3 Fe P2 Pt -","- C144 H144 Cl20 F12 Fe4 P8 Pt4 -","4","1","","Schwenk, R.; Togni, A.","P-Trifluoromethyl ligands derived from Josiphos in the Ir-catalysed hydrogenation of 3,4-dihydroisoquinoline hydrochlorides.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19566","19575","10.1039/c5dt02019k","","","0.71073","MoKα","","0.0407","0.0336","","","0.0756","0.0785","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035818","8.878","0.004","15.409","0.006","22.384","0.009","90","","90","","90","","3062","2","100","","100","","","","","","","","dichloromethane","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 Cl7 N2 P Pt -","- C25 H34 Cl7 N2 P Pt -","- C100 H136 Cl28 N8 P4 Pt4 -","4","1","","Haldón, Estela; Kozma, Ágnes; Tinnermann, Hendrik; Gu, Lianghu; Goddard, Richard; Alcarazo, Manuel","Synthesis and reactivity of α-cationic phosphines: the effect of imidazolinium and amidinium substituents.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1872","1876","10.1039/c5dt02341f","","","0.71073","Mo-Kα","","0.0892","0.0856","","","0.2464","0.2478","","","","","","1.151","","","","has coordinates","276361","2022-06-28","17:33:21",""
"7035908","9.5574","0.0018","10.84","0.002","17.604","0.003","90","","90","","90","","1823.8","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cl F6 Ir O -","- C18 H16 Cl F6 Ir O -","- C72 H64 Cl4 F24 Ir4 O4 -","4","1","","Yuan, Jian; Bourgeois, Cheryl J.; Rheingold, Arnold L.; Hughes, Russell P.","Synthesis, structure, and reactivity of iridium perfluorocarbene complexes: regio- and stereo-specific addition of HCl across a metal carbon double bond.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19528","19542","10.1039/c5dt02275d","","","0.71073","MoKα","","0.0375","0.0353","","","0.0905","0.0915","","","","","","1.061","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035917","8.3174","0.0003","17.8053","0.0005","28.9437","0.0007","90","","90","","90","","4286.4","0.2","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","4","","- C42 H48 Cl Cu N4 O4 Se2 -","- C42 H48 Cl Cu N4 O4 Se2 -","- C168 H192 Cl4 Cu4 N16 O16 Se8 -","4","1","","Srinivas, Katam; Naga Babu, Chatla; Prabusankar, Ganesan","Linear Cu(i) chalcogenones: synthesis and application in borylation of unsymmetrical alkynes.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15636","15644","10.1039/c5dt02320c","","x-ray","1.54184","CuKα","","0.055054","0.048018","","","","0.140271","","","","","","1.03492","","","","has coordinates","161255","2020-10-21","18:00:00",""
"7035927","10.0456","0.0015","13.252","0.002","29.583","0.007","90","","90","","90","","3938.2","1.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H41 Cl3 N P Si -","- C47 H41 Cl3 N P Si -","- C188 H164 Cl12 N4 P4 Si4 -","4","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.71073","MoKα","","0.1549","0.1039","","","0.241","0.2826","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035928","9.9729","0.0004","13.3211","0.0006","29.4129","0.0012","90","","90","","90","","3907.5","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H42 Cl2 N P Si -","- C47 H42 Cl2 N P Si -","- C188 H168 Cl8 N4 P4 Si4 -","4","1","","Böttcher, Tobias; Jones, Cameron","Extremely bulky secondary phosphinoamines as substituents for sterically hindered aminosilanes.","Dalton transactions (Cambridge, England : 2003)","2015","44","33","14842","14853","10.1039/c5dt02504d","","","0.71073","MoKα","","0.064","0.052","","","0.1201","0.1279","","","","","","1.041","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7035949","14.4964","0.0008","15.4616","0.0009","21.4898","0.0011","90","","90","","90","","4816.7","0.5","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H76 F2 Ni2 O P4 -","- C45 H76 F2 Ni2 O P4 -","- C180 H304 F8 Ni8 O4 P16 -","4","1","","Castellanos-Blanco, Nahury; Flores-Alamo, Marcos; García, Juventino J","Tandem hydrogenation and condensation of fluorinated α,β-unsaturated ketones with primary amines, catalyzed by nickel.","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15653","15663","10.1039/c5dt02366a","","","0.71073","MoKα","","0.1201","0.0659","","","0.0907","0.1045","","","","","","0.991","","","","has coordinates","161305","2020-10-21","18:00:00",""
"7035959","12.296","0.005","13.526","0.005","16.974","0.005","90","0.005","90","0.005","90","0.005","2823","1.8","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[1,1?-Bis(5-(phospholano)pentyl)ferrocene-κ2P,P?]gold(I) chloride","","- C28 H44 Au Cl Fe P2 -","- C28 H44 Au Cl Fe P2 -","- C112 H176 Au4 Cl4 Fe4 P8 -","4","1","","Schmied, Andy; Straube, Axel; Grell, Toni; Jähnigen, Sascha; Hey-Hawkins, Evamarie","Heterobimetallic complexes with highly flexible 1,1'-bis(phospholanoalkyl)ferrocene ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18760","18768","10.1039/c5dt02567b","","x-ray","0.71073","MoKα","","0.0301","0.0268","","","0.0603","0.0615","","","","","","1.05","","","","has coordinates","171232","2020-10-21","18:00:00",""
"7035974","8.774","0.004","11.3185","0.0005","11.3495","0.0005","90","","90","","90","","1127.1","0.5","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 N2 Se -","- C9 H16 N2 Se -","- C36 H64 N8 Se4 -","4","1","","van Weerdenburg, Bram J. A.; Eshuis, Nan; Tessari, Marco; Rutjes, Floris P. J. T.; Feiters, Martin C.","Application of the π-accepting ability parameter of N-heterocyclic carbene ligands in iridium complexes for signal amplification by reversible exchange (SABRE).","Dalton transactions (Cambridge, England : 2003)","2015","44","35","15387","15390","10.1039/c5dt02340h","","","0.71073","MoKα","","0.0409","0.0275","","","0.0505","0.0542","","","","","","1.055","","","","has coordinates","161259","2020-10-21","18:00:00",""
"7035978","19.172","0.003","22.272","0.003","30.035","0.004","90","","90","","90","","12825","3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ti","","- C150 H156 N6 O12 Ti3 -","- C150 H156 N6 O12 Ti3 -","- C600 H624 N24 O48 Ti12 -","4","1","","Rajashekhar, Bijja; Roymuhury, Sagnik K.; Chakraborty, Debashis; Ramkumar, Venkatachalam","Group 4 metal complexes of Trost's semi-crown ligand: synthesis, structural characterization and studies on the ring-opening polymerization of lactides and ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16280","16293","10.1039/c5dt02267c","","","0.71073","MoKα","","0.0813","0.0544","","","0.1332","0.1619","","","","","","1.039","","","","has coordinates","161612","2020-10-21","18:00:00",""
"7035986","8.7682","0.0001","9.0948","0.0001","14.4718","0.0002","90","","90","","90","","1154.05","0.02","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 O2 P S -","- C10 H17 O2 P S -","- C40 H68 O8 P4 S4 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.024","0.0227","","","0.0588","0.0594","","","","","","1.095","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7035989","8.41","0.005","12.953","0.005","13.799","0.005","90","","90","","90","","1503.2","1.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 O2 P S -","- C16 H21 O2 P S -","- C64 H84 O8 P4 S4 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0348","0.0305","","","0.0733","0.0755","","","","","","1.06","","","","has coordinates","176066","2020-10-21","18:00:00",""
"7035990","9.123","0.005","11.681","0.005","14.355","0.005","90","","90","","90","","1529.8","1.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 O2 P S -","- C16 H21 O2 P S -","- C64 H84 O8 P4 S4 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0302","0.0274","","","0.0643","0.0657","","","","","","1.027","","","","has coordinates","176066","2020-10-21","18:00:00",""
"7035992","8.4597","0.0002","14.4132","0.0002","23.4346","0.0004","90","","90","","90","","2857.41","0.09","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O2 P2 S2 -","- C28 H38 O2 P2 S2 -","- C112 H152 O8 P8 S8 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0287","0.0268","","","0.0657","0.0666","","","","","","1.037","","","","has coordinates","176066","2020-10-21","18:00:00",""
"7035993","9.0643","0.0003","9.105","0.0002","25.6653","0.0009","90","","90","","90","","2118.17","0.11","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 B O P2 S -","- C22 H29 B O P2 S -","- C88 H116 B4 O4 P8 S4 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0657","0.044","","","0.0872","0.0979","","","","","","0.865","","","","has coordinates","176066","2020-10-21","18:00:00",""
"7035994","12.0155","0.0001","12.2658","0.0001","16.7128","0.0002","90","","90","","90","","2463.13","0.04","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N O3 P S -","- C25 H34 N O3 P S -","- C100 H136 N4 O12 P4 S4 -","4","1","","Möller, Tobias; Wonneberger, Peter; Sárosi, Menyhárt B; Coburger, Peter; Hey-Hawkins, Evamarie","P-chiral 1-phosphanorbornenes: from asymmetric phospha-Diels-Alder reactions towards ligand design and functionalisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1904","1917","10.1039/c5dt02564h","","","0.71073","MoKα","","0.0272","0.0252","","","0.0644","0.0657","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036006","10.1264","0.0013","13.7129","0.0017","17.5394","0.0013","90","","90","","90","","2435.6","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H37 Cl2 N2 P Pd -","- C21 H37 Cl2 N2 P Pd -","- C84 H148 Cl8 N8 P4 Pd4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiya; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Palladium(ii) complexes with chelating N-phosphanyl acyclic diaminocarbenes: synthesis, characterization and catalytic performance in Suzuki couplings.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1967","1975","10.1039/c5dt02250a","","","0.71073","MoKα","","0.0454","0.0356","","0.0348","0.028","0.0268","","","","","","1.0325","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036007","10.2491","0.0014","12.2572","0.0016","19.524","0.003","90","","90","","90","","2452.7","0.6","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H39 Cl2 N2 P Pd -","- C22 H39 Cl2 N2 P Pd -","- C88 H156 Cl8 N8 P4 Pd4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiya; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Palladium(ii) complexes with chelating N-phosphanyl acyclic diaminocarbenes: synthesis, characterization and catalytic performance in Suzuki couplings.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1967","1975","10.1039/c5dt02250a","","","0.71073","MoKα","","0.0907","0.0777","","0.0586","0.0556","0.0545","","","","","","1.037","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036008","12.6614","0.0003","15.7007","0.0003","16.89","0.0004","90","","90","","90","","3357.61","0.13","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H45 Cl2 F3 N5 P Pd -","- C28 H45 Cl2 F3 N5 P Pd -","- C112 H180 Cl8 F12 N20 P4 Pd4 -","4","1","","Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiya; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea","Palladium(ii) complexes with chelating N-phosphanyl acyclic diaminocarbenes: synthesis, characterization and catalytic performance in Suzuki couplings.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1967","1975","10.1039/c5dt02250a","","","0.71073","MoKα","","0.0314","0.0277","","0.0246","0.0224","0.022","","","","","","1.111","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036101","9.895","0.011","11.081","0.012","32.12","0.03","90","","90","","90","","3522","6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cl2 N2 O8 Ru2 -","- C30 H44 Cl2 N2 O8 Ru2 -","- C120 H176 Cl8 N8 O32 Ru8 -","4","1","","Chang, Yu-Hsiang; Leu, Wohn-Jenn; Datta, Amitabha; Hsiao, Hung-Chang; Lin, Chia-Her; Guh, Jih-Hwa; Huang, Jui-Hsien","Catalytic transfer hydrogenation and anticancer activity of arene-ruthenium compounds incorporating bi-dentate precursors.","Dalton transactions (Cambridge, England : 2003)","2015","44","36","16107","16118","10.1039/c5dt01310k","","","0.71073","MoKα","","0.083","0.062","","","0.1584","0.1735","","","","","","1.104","","","","has coordinates","161471","2020-10-21","18:00:00",""
"7036147","12.221","0.003","15.222","0.003","22.433","0.005","90","","90","","90","","4173.2","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39.2 H55.8 N12.6 O6 Pb -","- C39.166 H55.749 N12.583 O6 Pb -","- C156.664 H222.996 N50.332 O24 Pb4 -","4","1","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide(iii) and lead(ii) complexes of a chiral nonaaza macrocyclic amine based on 1,2-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16345","16351","10.1039/c5dt02478a","","","0.71073","MoKα","","0.041","0.0316","","","0.0528","0.0559","","","","","","1.021","","","","has coordinates,has disorder","161528","2020-10-21","18:00:00",""
"7036148","12.389","0.003","15.22","0.003","22.064","0.005","90","","90","","90","","4160.4","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H59 N11 O10 Pb -","- C36 H59 N11 O10 Pb -","- C144 H236 N44 O40 Pb4 -","4","1","","Gregoliński, Janusz; Slepokura, Katarzyna; Lisowski, Jerzy","Lanthanide(iii) and lead(ii) complexes of a chiral nonaaza macrocyclic amine based on 1,2-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16345","16351","10.1039/c5dt02478a","","","0.71073","MoKα","","0.0256","0.0245","","","0.0548","0.0551","","","","","","1.115","","","","has coordinates","161528","2020-10-21","18:00:00",""
"7036158","10.8906","0.0003","11.9745","0.0003","16.681","0.0008","90","","90","","90","","2175.36","0.13","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cl2 N P Pd -","- C20 H28 Cl2 N P Pd -","- C80 H112 Cl8 N4 P4 Pd4 -","4","1","","Császár, Z; Farkas, G.; Bényei, A; Lendvay, G.; Tóth, I; Bakos, J.","Stereoselective coordination: a six-membered P,N-chelate tailored for asymmetric allylic alkylation.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16352","16360","10.1039/c5dt02750k","","","0.71073","MoKα","","0.0578","0.048","","","","0.1117","","","","","","1.2","","","","has coordinates","161597","2020-10-21","18:00:00",""
"7036161","8.9475","0.0004","16.3934","0.0011","20.8167","0.0017","90","","90","","90","","3053.4","0.4","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 Cl3 Fe N4 O5 -","- C24 H33 Cl3 Fe N4 O5 -","- C96 H132 Cl12 Fe4 N16 O20 -","4","1","","Kovačević, Monika; Kodrin, Ivan; Cetina, Mario; Kmetič, Ivana; Murati, Teuta; Semenčić, Mojca Čakić; Roca, Sunčica; Barišić, Lidija","The conjugates of ferrocene-1,1'-diamine and amino acids. A novel synthetic approach and conformational analysis.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16405","16420","10.1039/c5dt01610j","","","0.71073","MoKα","","0.1007","0.063","","","0.155","0.1803","","","","","","0.982","","","","has coordinates","161617","2020-10-21","18:00:00",""
"7036164","7.7381","0.0009","10.6536","0.0011","17.7897","0.0019","90","","90","","90","","1466.6","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H19 As Mn N4 S4 -","- C6 H19 As Mn N4 S4 -","- C24 H76 As4 Mn4 N16 S16 -","4","1","","Zhou, Jian; Tan, Xiao-Feng; Liu, Xing; Qing, Miao; Zhao, Rong-Qing; Tang, Qiuling","A series of new manganese thioarsenates(v) based on different unsaturated [Mn(amine)x](2+) complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16430","16438","10.1039/c5dt02910d","","","0.71073","MoKα","","0.0378","0.0329","","","0.0702","0.0739","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036212","5.8353","0.0004","10.1489","0.0006","24.6603","0.0015","90","","90","","90","","1460.43","0.16","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N P S2 -","- C15 H14 N P S2 -","- C60 H56 N4 P4 S8 -","4","1","","Chen, Hsiao Wei; Andy Hor, T. S.; Pattacini, Roberto; Braunstein, Pierre","Unexpected synthesis of an Au2In2 tetrametallatricyclic complex from α-aminophosphines and formation of Au-In-P and Ag-In-P nanomaterials.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16242","16246","10.1039/c5dt02457a","","","0.71073","MoKα","","0.0424","0.0403","","","0.0973","0.0986","","","","","","1.122","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036258","13.5295","0.0003","13.7062","0.0003","15.0026","0.0003","90","","90","","90","","2782.05","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 Ca O -","- C30 H46 Ca O -","- C120 H184 Ca4 O4 -","4","1","","Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Zhao, Ning; Zi, Guofu; Walter, Marc D.","Preparation of enantiomerically pure open calcocene and strontocene complexes and their application in ring opening polymerizations of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2015","44","37","16325","16331","10.1039/c5dt02851e","","","0.71073","MoKα","","0.0371","0.0336","","","0.0811","0.0831","","","","","","1.05","","","","has coordinates","161637","2020-10-21","18:00:00",""
"7036284","18.633","0.005","20.399","0.005","20.852","0.005","90","","90","","90","","7926","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H58 Cd4 N4 O29 -","- C60 H58 Cd4 N4 O29 -","- C240 H232 Cd16 N16 O116 -","4","1","","Jin, Jun-Cheng; Pang, Ling-Yan; Yang, Guo-Ping; Hou, Lei; Wang, Yao-Yu","Two porous luminescent metal-organic frameworks: quantifiable evaluation of dynamic and static luminescent sensing mechanisms towards Fe(3.).","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17222","17228","10.1039/c5dt03038b","","","0.71073","MoKα","","0.0379","0.036","","","0.1027","0.1043","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036296","9.9935","0.0014","14.054","0.002","15.83","0.002","90","","90","","90","","2223.3","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N O P Sn -","- C21 H32 N O P Sn -","- C84 H128 N4 O4 P4 Sn4 -","4","1","","Del Águila-Sánchez, Miguel A; Navarro, Yolanda; García López, Jesús; Guedes, Guilherme P.; López Ortiz, Fernando","Synthesis of P-stereogenic diarylphosphinic amides by directed lithiation: transformation into tertiary phosphine oxides via methanolysis, aryne chemistry and complexation behaviour toward zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2008","2022","10.1039/c5dt02860d","","x-ray","0.71073","MoKα","","0.0519","0.0454","","","0.0916","0.0936","","","","","","1.058","","","","has coordinates","176069","2020-10-21","18:00:00",""
"7036297","10.1337","0.0007","10.2928","0.0007","18.662","0.0013","90","","90","","90","","1946.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 I N O P -","- C18 H23 I N O P -","- C72 H92 I4 N4 O4 P4 -","4","1","","Del Águila-Sánchez, Miguel A; Navarro, Yolanda; García López, Jesús; Guedes, Guilherme P.; López Ortiz, Fernando","Synthesis of P-stereogenic diarylphosphinic amides by directed lithiation: transformation into tertiary phosphine oxides via methanolysis, aryne chemistry and complexation behaviour toward zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2008","2022","10.1039/c5dt02860d","","x-ray","0.71073","MoKα","","0.0337","0.0323","","","0.0803","0.0816","","","","","","1.099","","","","has coordinates","176069","2020-10-21","18:00:00",""
"7036298","9.8384","0.0002","17.1397","0.0004","17.4704","0.0004","90","","90","","90","","2945.99","0.11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Cl2 N O2 P2 Zn -","- C30 H33 Cl2 N O2 P2 Zn -","- C120 H132 Cl8 N4 O8 P8 Zn4 -","4","1","","Del Águila-Sánchez, Miguel A; Navarro, Yolanda; García López, Jesús; Guedes, Guilherme P.; López Ortiz, Fernando","Synthesis of P-stereogenic diarylphosphinic amides by directed lithiation: transformation into tertiary phosphine oxides via methanolysis, aryne chemistry and complexation behaviour toward zinc(ii).","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2008","2022","10.1039/c5dt02860d","","x-ray","1.54178","CuKα","","0.0335","0.0293","","","0.0665","0.0685","","","","","","1.073","","","","has coordinates","176069","2020-10-21","18:00:00",""
"7036341","9.8914","0.0011","10.6681","0.0012","22.2","0.002","90","","90","","90","","2342.6","0.4","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 B Cl2 N2 O5 Pd -","- C20 H21 B Cl2 N2 O5 Pd -","- C80 H84 B4 Cl8 N8 O20 Pd4 -","4","1","","Reddy, Eda Rami; Trivedi, Rajiv; Sarma, Akella Venkata Subrahmanya; Sridhar, Balasubramanian; Anantaraju, Hasitha Shilpa; Sriram, Dharmarajan; Yogeeswari, Perumal; Nagesh, Narayana","Sugar-boronate ester scaffold tethered pyridyl-imine palladium(ii) complexes: synthesis and their in vitro anticancer evaluation.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17600","17616","10.1039/c5dt03266k","","","0.71073","MoKα","","0.0225","0.0215","","","0.0579","0.0584","","","","","","1.088","","","","has coordinates","161870","2020-10-21","18:00:00",""
"7036342","5.349","0.0006","14.2059","0.0017","19.214","0.002","90","","90","","90","","1460","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 B N O5 -","- C14 H18 B N O5 -","- C56 H72 B4 N4 O20 -","4","1","","Reddy, Eda Rami; Trivedi, Rajiv; Sarma, Akella Venkata Subrahmanya; Sridhar, Balasubramanian; Anantaraju, Hasitha Shilpa; Sriram, Dharmarajan; Yogeeswari, Perumal; Nagesh, Narayana","Sugar-boronate ester scaffold tethered pyridyl-imine palladium(ii) complexes: synthesis and their in vitro anticancer evaluation.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17600","17616","10.1039/c5dt03266k","","","0.71073","MoKα","","0.0424","0.04","","","0.0901","0.0915","","","","","","1.093","","","","has coordinates","161870","2020-10-21","18:00:00",""
"7036350","9.2832","0.0002","11.2563","0.0002","11.6948","0.0002","90","","90","","90","","1222.04","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 O P S -","- C12 H15 O P S -","- C48 H60 O4 P4 S4 -","4","1","","Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E","Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17129","17142","10.1039/c5dt02611c","","","0.71073","MoKα","","0.0341","0.0318","","","0.0862","0.0881","","","","","","1.048","","","","has coordinates","161211","2020-10-21","18:00:00",""
"7036362","10.38334","0.00018","11.57825","0.00019","14.9187","0.0003","90","","90","","90","","1793.54","0.06","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydroacenaphthylen-5-amine","","- C20 H26 B N O2 -","- C20 H26 B N O2 -","- C80 H104 B4 N4 O8 -","4","1","","Pla, Daniel; Sadek, Omar; Cadet, Sarah; Mestre-Voegtlé, Béatrice; Gras, Emmanuel","Naphthylaminoborane: from structural switches to frustrated Lewis pair reactivity.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18340","18346","10.1039/c5dt02659h","","","0.71073","MoKα","","0.0349","0.0319","","0.035","0.0344","0.0343","","","","","","1.1278","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036377","14.8839","0.0003","28.4936","0.0009","30.6466","0.0009","90","","90","","90","","12997.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30.25 H45 Cl2 N4 O Pd -","- C28 H40 Cl2 N4 O Pd -","- C448 H640 Cl32 N64 O16 Pd16 -","16","4","","Bogojeski, Jovana; Volbeda, Jeroen; Freytag, Matthias; Tamm, Matthias; Bugarčić, Živadin D","Palladium(ii) complexes with highly basic imidazolin-2-imines and their reactivity toward small bio-molecules.","Dalton transactions (Cambridge, England : 2003)","2015","44","39","17346","17359","10.1039/c5dt02307f","","","1.54184","CuKα","","0.0402","0.0376","","","0.0877","0.089","","","","","","1.052","","","","has coordinates","161217","2020-10-21","18:00:00",""
"7036418","8.1003","0.0007","8.6911","0.0007","20.2616","0.0017","90","","90","","90","","1426.4","0.2","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","5","","","- C13 H11 Cu N3 O4 S -","- C13 H11 Cu N3 O4 S -","- C52 H44 Cu4 N12 O16 S4 -","4","1","","Maji, Ram Chandra; Bhandari, Anirban; Singh, Ravindra; Roy, Suprakash; Chatterjee, Sudip K.; Bowles, Faye L.; Ghiassi, Kamran B.; Maji, Milan; Olmstead, Marilyn M.; Patra, Apurba K.","Copper coordinated ligand thioether-S and NO2(-) oxidation: relevance to the CuM site of hydroxylases.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17587","17599","10.1039/c5dt02184g","","","0.71073","MoKα","","0.022","0.0203","","","0.0546","0.0553","","","","","","1.14","","","","has coordinates","161929","2020-10-21","18:00:00",""
"7036419","7.102","0.005","9.142","0.005","20.944","0.0012","90","","90","","90","","1359.8","1.2","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[2-methylsulfanyl phenyl]pyridine-2-carboxamide nitrate copper(II)","","","- C13 H11 Cu N3 O4 S -","- C13 H11 Cu N3 O4 S -","- C52 H44 Cu4 N12 O16 S4 -","4","1","","Maji, Ram Chandra; Bhandari, Anirban; Singh, Ravindra; Roy, Suprakash; Chatterjee, Sudip K.; Bowles, Faye L.; Ghiassi, Kamran B.; Maji, Milan; Olmstead, Marilyn M.; Patra, Apurba K.","Copper coordinated ligand thioether-S and NO2(-) oxidation: relevance to the CuM site of hydroxylases.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17587","17599","10.1039/c5dt02184g","","","0.71073","MoKα","","0.0164","0.0158","","","0.0422","0.0424","","","","","","1.039","","","","has coordinates","161929","2020-10-21","18:00:00",""
"7036433","13.666","0.003","13.939","0.003","20.703","0.004","90","","90","","90","","3943.7","1.4","153.15","0.02","153.15","0.02","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H94 Co2 N16 O43 P4 -","- C60 H94 Co2 N16 O43 P4 -","- C120 H188 Co4 N32 O86 P8 -","2","0.5","","Zhou, Pei; Wang, Chong; Qiu, Qi-Ming; Yao, Jian-Feng; Sheng, Chuan-Fang; Li, Hui","Controllable synthesis of nucleotide complex based on pH control: a small-molecule fluorescent probe as an auxiliary ligand to indicate the pre-organization of the nucleotide complex in solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17810","17818","10.1039/c5dt02624e","","","0.71073","MoKα","","0.0781","0.0645","","","0.1679","0.1803","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036435","13.87","0.003","14.057","0.003","20.78","0.005","90","","90","","90","","4051.5","1.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H94 Mn2 N16 O43 P4 -","- C60 H94 Mn2 N16 O43 P4 -","- C120 H188 Mn4 N32 O86 P8 -","2","0.5","","Zhou, Pei; Wang, Chong; Qiu, Qi-Ming; Yao, Jian-Feng; Sheng, Chuan-Fang; Li, Hui","Controllable synthesis of nucleotide complex based on pH control: a small-molecule fluorescent probe as an auxiliary ligand to indicate the pre-organization of the nucleotide complex in solution.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17810","17818","10.1039/c5dt02624e","","","0.71073","MoKα","","0.0977","0.0609","","","0.1432","0.1627","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036459","8.4252","0.0002","17.7922","0.0004","24.7267","0.0006","90","","90","","90","","3706.6","0.15","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H41 Cl3 N3 O5 P Pd -","- C37 H41 Cl3 N3 O5 P Pd -","- C148 H164 Cl12 N12 O20 P4 Pd4 -","4","1","","Jia, Yu-Xiang; Jonathan Chew, Renta; Li, Bin-Bin; Zhu, Pengcheng; Li, Yongxin; Pullarkat, Sumod A.; Soon Tan, Nguan; Leung, Pak-Hing","Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17557","17564","10.1039/c5dt02694f","","","0.71073","MoKα","","0.0342","0.0272","","","0.073","0.0908","","","","","","1.105","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036460","8.7889","0.001","10.1423","0.0013","26.66","0.004","90","","90","","90","","2376.5","0.5","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl4 N O2 P Pd -","- C22 H22 Cl4 N O2 P Pd -","- C88 H88 Cl16 N4 O8 P4 Pd4 -","4","1","","Jia, Yu-Xiang; Jonathan Chew, Renta; Li, Bin-Bin; Zhu, Pengcheng; Li, Yongxin; Pullarkat, Sumod A.; Soon Tan, Nguan; Leung, Pak-Hing","Palladacycle promoted base controlled regio- and enantioselective hydrophosphination of 2-pyridylacrylate/amide and the cytotoxicity of their gold complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","40","17557","17564","10.1039/c5dt02694f","","","0.71073","MoKα","","0.0307","0.0266","","","0.0653","0.0814","","","","","","1.134","","","","has coordinates,has disorder","161958","2020-10-21","18:00:00",""
"7036489","14.891","0.0004","16.324","0.0004","22.1599","0.0006","90","","90","","90","","5386.6","0.2","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C47 H80 Cl2 O5 P2 Pt Sn W -","- C47 H80 Cl2 O5 P2 Pt Sn W -","- C188 H320 Cl8 O20 P8 Pt4 Sn4 W4 -","4","1","","Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric","Transition metal-mediated donor-acceptor coordination of low-oxidation state Group 14 element halides.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6071","6078","10.1039/c5dt03018h","","","0.71073","MoKα","","0.0193","0.0176","","","0.0399","0.0404","","","","","","1.005","","","","has coordinates,has disorder","181742","2020-10-21","18:00:00",""
"7036509","7.2819","0.0002","21.2966","0.0006","23.7759","0.0007","90","","90","","90","","3687.16","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 Ni O3 -","- C22 H20 N2 Ni O3 -","- C176 H160 N16 Ni8 O24 -","8","2","","Novoa, Néstor; Roisnel, Thierry; Hamon, Paul; Kahlal, Samia; Manzur, Carolina; Ngo, Hoang Minh; Ledoux-Rak, Isabelle; Saillard, Jean-Yves; Carrillo, David; Hamon, Jean-René","Four-coordinate nickel(ii) and copper(ii) complex based ONO tridentate Schiff base ligands: synthesis, molecular structure, electrochemical, linear and nonlinear properties, and computational study.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18019","18037","10.1039/c5dt02822a","","x-ray","0.71073","MoKα","","0.0495","0.0367","","","0.0675","0.0716","","","","","","1.007","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7036520","9.7669","0.0005","19.1321","0.001","19.139","0.001","90","","90","","90","","3576.3","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N4 O16 P4 U2 -","- C24 H32 N4 O16 P4 U2 -","- C96 H128 N16 O64 P16 U8 -","4","1","","Zheng, Tao; Gao, Yang; Chen, Lanhua; Liu, Zhiyong; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","A new chiral uranyl phosphonate framework consisting of achiral building units generated from ionothermal reaction: structure and spectroscopy characterizations.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18158","18166","10.1039/c5dt02667a","","","0.71073","MoKα","","0.0481","0.0329","","","0.0551","0.0587","","","","","","1.052","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036546","8.865","0.002","16.289","0.003","29.929","0.007","90","","90","","90","","4321.8","1.6","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(NEt4)2[WO(S2C6H3CONH-t-Bu)2]","","- C38 H66 N4 O3 S4 W -","- C38 H66 N4 O3 S4 W -","- C152 H264 N16 O12 S16 W4 -","4","1","","Okamura, A Taka-Aki; Omi, Yui; Fujii, Manami; Tatsumi, Miki; Onitsuka, Kiyotaka","Significant differences of monooxotungsten(iv) and dioxotungsten(vi) benzenedithiolates containing two intramolecular NHS hydrogen bonds from molybdenum analogues.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18090","18100","10.1039/c5dt03278d","","","0.71075","MoKα","","0.072","0.0685","","","0.1526","0.154","","","","","","1.199","","","","has coordinates","171187","2020-10-21","18:00:00",""
"7036582","12.6998","0.0007","17.6511","0.0009","20.9304","0.0011","90","","90","","90","","4691.9","0.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H53 Co F10 N4 Na O -","- C43 H53 Co F10 N4 Na O -","- C172 H212 Co4 F40 N16 Na4 O4 -","4","1","","Yao, Shuang; Tam, Dennis Yiu Sun; Cheung, Pak Shing; Lam, Chi-Keung; Guo, Pei; Lam, Sik Lok; Lee, Hung Kay","Cobalt(ii) amido complexes derived from a monodentate arylamido ligand featuring a highly electron-withdrawing C6F5 substituent.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","17950","17959","10.1039/c5dt00796h","","","0.71073","MoKα","","0.1754","0.0557","","","0.0892","0.1205","","","","","","0.91","","","","has coordinates","171190","2020-10-21","18:00:00",""
"7036612","19.7419","0.0018","22.174","0.002","33.727","0.003","90","","90","","90","","14764","2","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C115 H95 Cu Er3 F66 N8 O38 -","- C115 H95 Cu Er3 F66 N8 O38 -","- C460 H380 Cu4 Er12 F264 N32 O152 -","4","1","","Wang, Xiufeng; Li, Cun; Sun, Juan; Li, Licun","Nitronyl nitroxide based 2p-3d-4f chains with the magnetocaloric effect and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18411","18417","10.1039/c5dt02783g","","","0.71073","MoKα","","0.0396","0.0376","","","0.0984","0.0998","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036613","19.808","0.002","22.168","0.003","33.918","0.004","90","","90","","90","","14894","3","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C115 H95 Cu F66 Gd3 N8 O38 -","- C115 H95 Cu F66 Gd3 N8 O38 -","- C460 H380 Cu4 F264 Gd12 N32 O152 -","4","1","","Wang, Xiufeng; Li, Cun; Sun, Juan; Li, Licun","Nitronyl nitroxide based 2p-3d-4f chains with the magnetocaloric effect and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18411","18417","10.1039/c5dt02783g","","","0.71073","MoKα","","0.0473","0.0449","","","0.1151","0.1168","","","","","","0.999","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036614","19.801","0.0014","22.1604","0.0016","33.851","0.003","90","","90","","90","","14854","2","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C115 H95 Cu F66 N8 O38 Tb3 -","- C115 H95 Cu F66 N8 O38 Tb3 -","- C460 H380 Cu4 F264 N32 O152 Tb12 -","4","1","","Wang, Xiufeng; Li, Cun; Sun, Juan; Li, Licun","Nitronyl nitroxide based 2p-3d-4f chains with the magnetocaloric effect and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18411","18417","10.1039/c5dt02783g","","","0.71073","MoKα","","0.0385","0.0357","","","0.0784","0.0799","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036615","19.771","0.002","22.179","0.002","33.842","0.004","90","","90","","90","","14840","3","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C115 H95 Cu Dy3 F66 N8 O38 -","- C115 H95 Cu Dy3 F66 N8 O38 -","- C460 H380 Cu4 Dy12 F264 N32 O152 -","4","1","","Wang, Xiufeng; Li, Cun; Sun, Juan; Li, Licun","Nitronyl nitroxide based 2p-3d-4f chains with the magnetocaloric effect and slow magnetic relaxation.","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18411","18417","10.1039/c5dt02783g","","","0.71073","MoKα","","0.0563","0.0517","","","0.1362","0.1396","","","","","","0.992","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036686","9.6314","0.0006","13.5664","0.0006","14.7998","0.0008","90","","90","","90","","1933.79","0.18","122.4","","122.4","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H32 Cl2 Co N5 O6 -","- C12 H32 Cl2 Co N5 O6 -","- C48 H128 Cl8 Co4 N20 O24 -","4","1","","Temizsoy, Mehmet; Sethi, Waqas; Reinholdt, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Hammershøi, Anders","Stereoretentive formylation of (S)-proline: new application of the self-regeneration of stereo-centres (SRS) principle via chelation to cobalt(iii).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18438","18446","10.1039/c5dt02674a","","","0.71073","MoKα","","0.0309","0.0269","","","0.0617","0.0662","","","","","","1.0134","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7036687","8.945","0.0003","12.4236","0.0004","17.413","0.0006","90","","90","","90","","1935.09","0.11","122.4","","122.4","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H32 Cl2 Co N5 O5 -","- C12 H32 Cl2 Co N5 O5 -","- C48 H128 Cl8 Co4 N20 O20 -","4","1","","Temizsoy, Mehmet; Sethi, Waqas; Reinholdt, Anders; Schau-Magnussen, Magnus; Bendix, Jesper; Hammershøi, Anders","Stereoretentive formylation of (S)-proline: new application of the self-regeneration of stereo-centres (SRS) principle via chelation to cobalt(iii).","Dalton transactions (Cambridge, England : 2003)","2015","44","42","18438","18446","10.1039/c5dt02674a","","","0.71073","MoKα","","0.0356","0.0271","","","0.0556","0.0585","","","","","","1.043","","","","has coordinates","171282","2020-10-21","18:00:00",""
"7036695","11.961","0.002","14.415","0.003","42.946","0.008","90","","90","","90","","7405","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","H2PIM","","- C44.75 H39.49 Cl0.25 N2 O5.87 S -","- C44.746 H39.492 Cl0.254 N2 O5.873 S -","- C357.968 H315.936 Cl2.032 N16 O46.984 S8 -","8","2","","Minier, Mikael A.; Lippard, Stephen J.","(19)F NMR study of ligand dynamics in carboxylate-bridged diiron(ii) complexes supported by a macrocyclic ligand.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18111","18121","10.1039/c5dt02138c","","","0.71073","MoKα","","0.0827","0.0721","","","0.1937","0.2","","","","","","1.104","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7036739","9.1878","0.0004","18.715","0.001","19.9856","0.001","90","","90","","90","","3436.5","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H39 Bi O6 -","- C39 H39 Bi O6 -","- C156 H156 Bi4 O24 -","4","1","","Ong, Yih Ching; Blair, Victoria L.; Kedzierski, Lukasz; Tuck, Kellie L.; Andrews, Philip C.","Stability and toxicity of tris-tolyl bismuth(v) dicarboxylates and their biological activity towards Leishmania major.","Dalton transactions (Cambridge, England : 2003)","2015","44","41","18215","18226","10.1039/c5dt03335g","","","0.7107","MoKα","","0.0482","0.0373","","","0.0639","0.0685","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036784","9.3249","0.0008","10.7293","0.0009","24.776","0.002","90","","90","","90","","2478.8","0.4","298","2","298","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl F6 N3 P Ru S Se -","- C22 H21 Cl F6 N3 P Ru S Se -","- C88 H84 Cl4 F24 N12 P4 Ru4 S4 Se4 -","4","1","","Saleem, Fariha; Rao, Gyandshwar K.; Kumar, Satyendra; Singh, Mahabir Pratap; Singh, Ajai K.","Complexes of (η(6)-benzene)ruthenium(ii) with 1,4-bis(phenylthio/seleno-methyl)-1,2,3-triazoles: synthesis, structure and applications in catalytic activation of oxidation and transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19141","19152","10.1039/c5dt02926k","","","0.71073","MoKα","","0.0208","0.0202","","","0.0524","0.0527","","","","","","1.046","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7036785","9.591","0.005","10.922","0.006","25.18","0.014","90","","90","","90","","2638","2","298","2","298","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl F6 N3 P Ru Se2 -","- C22 H21 Cl F6 N3 P Ru Se2 -","- C88 H84 Cl4 F24 N12 P4 Ru4 Se8 -","4","1","","Saleem, Fariha; Rao, Gyandshwar K.; Kumar, Satyendra; Singh, Mahabir Pratap; Singh, Ajai K.","Complexes of (η(6)-benzene)ruthenium(ii) with 1,4-bis(phenylthio/seleno-methyl)-1,2,3-triazoles: synthesis, structure and applications in catalytic activation of oxidation and transfer hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19141","19152","10.1039/c5dt02926k","","","0.71073","MoKα","","0.0844","0.0569","","","0.1293","0.1432","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7036918","12.039","0.005","12.259","0.005","12.506","0.005","90","","90","","90","","1845.7","1.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis[2-(hydroxyimino)3-phenyl-propionato] tin (II)","bis[2-(hydroxyimino)3-phenyl-propionato] tin (II)","","- C18 H16 N2 O6 Sn -","- C18 H16 N2 O6 Sn -","- C72 H64 N8 O24 Sn4 -","4","1","","Khanderi, Jayaprakash; Davaasuren, Bambar; Alshankiti, Buthainah Ameen; Rothenberger, Alexander","Tin(ii) ketoacidoximates: synthesis, X-ray structures and processing to tin(ii) oxide.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19820","19828","10.1039/c5dt03103f","","","0.71073","MoKα","","0.111","0.0542","","","0.061","0.0742","","","","","","1.068","","","","has coordinates","171126","2020-10-21","18:00:00",""
"7036934","8.535","0.002","19.12","0.005","22.172","0.006","90","","90","","90","","3618.2","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 N12 S4 -","- C36 H38 N12 S4 -","- C144 H152 N48 S16 -","4","1","","Alam, Israt S.; Arrowsmith, Rory L.; Cortezon-Tamarit, Fernando; Twyman, Frazer; Kociok-Köhn, Gabriele; Botchway, Stanley W.; Dilworth, Jonathan R.; Carroll, Laurence; Aboagye, Eric O.; Pascu, Sofia I.","Microwave gallium-68 radiochemistry for kinetically stable bis(thiosemicarbazone) complexes: structural investigations and cellular uptake under hypoxia.","Dalton transactions (Cambridge, England : 2003)","2015","45","1","144","155","10.1039/c5dt02537k","","","0.6889","","","0.1037","0.0993","","","0.2565","0.2666","","","","","","1.061","","","","has coordinates","176112","2020-10-21","18:00:00",""
"7036981","8.4609","0.001","9.3845","0.0011","20.267","0.002","90","","90","","90","","1609.2","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 S2 -","- C18 H18 N2 S2 -","- C72 H72 N8 S8 -","4","1","","Binder, Justin F.; Corrente, Andrea M.; Macdonald, Charles L. B.","A simple route to phosphamethine cyanines from S,N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2138","2147","10.1039/c5dt03019f","","","0.71073","MoKα","","0.0468","0.0388","","","0.0834","0.0872","","","","","","1.048","","","","has coordinates","176081","2020-10-21","18:00:00",""
"7037028","9.9769","0.0007","21.4246","0.0015","22.3643","0.0014","90","","90","","90","","4780.4","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25.5 H15 Cl N7 O3 Re -","- C25.5 H15 Cl N7 O3 Re -","- C204 H120 Cl8 N56 O24 Re8 -","8","2","","Fiorini, Valentina; Ranieri, Anna Maria; Muzzioli, Sara; Magee, Karen D. M.; Zacchini, Stefano; Akabar, Nurshadrina; Stefan, Alessandra; Ogden, Mark I.; Massi, Massimiliano; Stagni, Stefano","Targeting divalent metal cations with Re(i) tetrazolato complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20597","20608","10.1039/c5dt03690a","","","0.71073","MoKα","","0.042","0.0301","","","0.0532","0.0574","","","","","","1.024","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7037071","12.0328","0.0004","14.7766","0.0005","20.8614","0.0008","90","","90","","90","","3709.2","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H39 B F10 Li N O -","- C42 H39 B F10 Li N O -","- C168 H156 B4 F40 Li4 N4 O4 -","4","1","","Kohrt, Sonja; Dachwitz, Steffen; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Stabilized borata-alkene formation: structural features, reactions and the role of the counter cation.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","21032","21040","10.1039/c5dt04058b","","","0.71073","MoKα","","0.0436","0.0351","","","0.0789","0.0832","","","","","","1.077","","","","has coordinates","171140","2020-10-21","18:00:00",""
"7037088","14.5257","0.0016","16.4162","0.0018","31.249","0.003","90","","90","","90","","7451.5","1.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Corrole-BODIPY dyads","Corrole-BODIPY Hybrid","","- C85 H57 B2 F19 Ga N11 -","- C85 H57 B2 F19 Ga N11 -","- C340 H228 B8 F76 Ga4 N44 -","4","1","","Basumatary, Biju; Ramana Reddy, R. V.; Bhandary, Subhrajyoti; Sankar, Jeyaraman","Gallium(iii)corrole-BODIPY hybrid: novel photophysical properties and first observation of B-FF interactions.","Dalton transactions (Cambridge, England : 2003)","2015","44","48","20817","20821","10.1039/c5dt03104d","","","0.71073","MoKα","","0.1067","0.068","","","0.157","0.1761","","","","","","1.043","","","","has coordinates","171148","2020-10-21","18:00:00",""
"7037121","17.76","0.003","19.279","0.004","25.446","0.005","90","","90","","90","","8713","3","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H104 P4 S8 U -","- C87 H104 P4 S8 U -","- C348 H416 P16 S32 U4 -","4","1","","Macor, Joseph A.; Brown, Jessie L.; Cross, Justin N.; Daly, Scott R.; Gaunt, Andrew J.; Girolami, Gregory S.; Janicke, Michael T.; Kozimor, Stosh A.; Neu, Mary P.; Olson, Angela C.; Reilly, Sean D.; Scott, Brian L.","Coordination chemistry of 2,2'-biphenylenedithiophosphinate and diphenyldithiophosphinate with U, Np, and Pu.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18923","18936","10.1039/c5dt02976g","","","0.71073","MoKα","","0.0441","0.0288","","","0.0451","0.0482","","","","","","0.831","","","","has coordinates","170203","2020-10-21","18:00:00",""
"7037176","9.8292","0.0005","11.9795","0.0008","26.3978","0.0017","90","","90","","90","","3108.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 N5 O6 Zn -","- C32 H27 N5 O6 Zn -","- C128 H108 N20 O24 Zn4 -","4","1","","Škalamera, Đani; Sanders, Ernest; Vianello, Robert; Maršavelski, Aleksandra; Pevec, Andrej; Turel, Iztok; Kirin, Srećko I","Synthesis and characterization of ML and ML2 metal complexes with amino acid substituted bis(2-picolyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2845","2858","10.1039/c5dt03387j","","","0.71073","MoKα","","0.097","0.0619","","","0.1562","0.1753","","","","","","1.018","","","","has coordinates","177785","2020-10-21","18:00:00",""
"7037241","12.012","0.005","18.204","0.008","18.855","0.008","90","","90","","90","","4123","3","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichlorido[1,1'-(pyridine-2,6-diyl)bis{N-[2,6-di(pentan-3-yl)phenyl]ethan-1-imine}]iron","","- C41 H59 Cl2 Fe N3 -","- C41 H59 Cl2 Fe N3 -","- C164 H236 Cl8 Fe4 N12 -","4","1","","Kawakami, Takafumi; Ito, Shingo; Nozaki, Kyoko","Iron-catalysed homo- and copolymerisation of propylene: steric influence of bis(imino)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20745","20752","10.1039/c5dt03551a","","","0.71075","MoKα","","0.0795","0.0713","","","0.119","0.1231","","","","","","1.113","","","","has coordinates","171238","2020-10-21","18:00:00",""
"7037243","10.126","0.006","15.208","0.009","25.208","0.015","90","","90","","90","","3882","4","93","","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Dichlorido[1,1'-(pyridine-2,6-diyl)bis{N-[2-methyl-6-(pentan-3-yl)phenyl]ethane-1-imine}]iron","","- C35 H47 Cl6 Fe N3 -","- C35 H47 Cl6 Fe N3 -","- C140 H188 Cl24 Fe4 N12 -","4","1","","Kawakami, Takafumi; Ito, Shingo; Nozaki, Kyoko","Iron-catalysed homo- and copolymerisation of propylene: steric influence of bis(imino)pyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20745","20752","10.1039/c5dt03551a","","","0.71075","MoKα","","0.1078","0.0919","","","0.2268","0.2461","","","","","","1.116","","","","has coordinates","171238","2020-10-21","18:00:00",""
"7037264","9.0201","0.0004","10.1697","0.0004","14.0216","0.0007","90","","90","","90","","1286.23","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Hg K4 O Te3 -","- Hg K4 O Te3 -","- Hg4 K16 O4 Te12 -","4","1","","Thiele, G.; Donsbach, C.; Riedel, R.; Marsch, M.; Harms, K.; Dehnen, S.","Smallest molecular chalcogenidometalate anions of the heaviest metals: syntheses, structures, and their interconversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","5958","5967","10.1039/c5dt03996g","","x-ray","0.71073","MoKα","","0.0238","0.022","","","0.0475","0.048","","","","","","1.055","","","","has coordinates","181743","2020-10-21","18:00:00",""
"7037345","10.662","0.003","14.595","0.003","18.403","0.005","90","","90","","90","","2863.7","1.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 Cl Ir N4 O -","- C32 H32 Cl Ir N4 O -","- C128 H128 Cl4 Ir4 N16 O4 -","4","1","","Mazzeo, Giuseppe; Fusè, Marco; Longhi, Giovanna; Rimoldi, Isabella; Cesarotti, Edoardo; Crispini, Alessandra; Abbate, Sergio","Vibrational circular dichroism and chiroptical properties of chiral Ir(iii) luminescent complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","992","999","10.1039/c5dt03642a","","","0.71073","MoKα","","0.0211","0.0183","","","0.0444","0.0457","","","","","","0.957","","","","has coordinates","176040","2020-10-21","18:00:00",""
"7037382","10.972","0.002","12.07","0.002","15.887","0.003","90","","90","","90","","2103.9","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4,6-tris(tert-butyl)-1,7-dichlorido-2,4,6-triazy-1,3,5,7-tetraseleny-[7]catena","","- C12 H27 Cl2 N3 Se4 -","- C12 H27 Cl2 N3 Se4 -","- C48 H108 Cl8 N12 Se16 -","4","1","","Karhu, Aino J.; Pakkanen, Olli J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.","The role of imidoselenium(ii) chlorides in the formation of cyclic selenium imides via cyclocondensation.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6210","6221","10.1039/c5dt04236d","","","0.71073","MoKα","","0.0286","0.0261","","","0.0576","0.059","","","","","","1.034","","","","has coordinates","181711","2020-10-21","18:00:00",""
"7037390","15.868","0.003","7.6345","0.0015","13.226","0.003","90","","90","","90","","1602.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Bi Cl3 O5 -","- C10 H20 Bi Cl3 O5 -","- C40 H80 Bi4 Cl12 O20 -","4","1","","Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","Phase transition metal-crown ether coordination compounds tuned by metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1000","1006","10.1039/c5dt02631h","","","0.71073","MoKα","","0.0582","0.0453","","","0.0984","0.1606","","","","","","1.03","","","","has coordinates","176045","2020-10-21","18:00:00",""
"7037392","15.977","0.003","7.6969","0.0015","12.904","0.003","90","","90","","90","","1586.8","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cl3 O5 Sb -","- C10 H20 Cl3 O5 Sb -","- C40 H80 Cl12 O20 Sb4 -","4","1","","Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","Phase transition metal-crown ether coordination compounds tuned by metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1000","1006","10.1039/c5dt02631h","","","0.71073","MoKα","","0.0315","0.0261","","","0.0719","0.0738","","","","","","1.183","","","","has coordinates","176045","2020-10-21","18:00:00",""
"7037393","15.965","0.009","7.6919","0.0008","13.28","0.005","90","","90","","90","","1630.8","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Bi Cl3 O5 -","- C9.07 H18.14 Bi0.9 Cl2.75 O4.61 -","- C36.28 H72.56 Bi3.6 Cl11 O18.44 -","4","1","","Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","Phase transition metal-crown ether coordination compounds tuned by metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1000","1006","10.1039/c5dt02631h","","","0.71073","MoKα","","0.0593","0.0462","","","0.1008","0.1062","","","","","","1.048","","","","has coordinates","176045","2020-10-21","18:00:00",""
"7037394","15.931","0.007","7.638","0.003","12.798","0.005","90","","90","","90","","1557.3","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cl3 O5 Sb -","- C10 H20 Cl3 O5 Sb -","- C40 H80 Cl12 O20 Sb4 -","4","1","","Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","Phase transition metal-crown ether coordination compounds tuned by metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1000","1006","10.1039/c5dt02631h","","","0.71073","MoKα","","0.0217","0.0196","","","0.0429","0.0439","","","","","","0.875","","","","has coordinates","176045","2020-10-21","18:00:00",""
"7037395","15.986","0.006","7.691","0.003","12.876","0.005","90","","90","","90","","1583.1","1.1","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cl3 O5 Sb -","- C10 H20 Cl3 O5 Sb -","- C40 H80 Cl12 O20 Sb4 -","4","1","","Ye, Qiong; Wang, Hui-Ting; Zhou, Lin; Kong, Li-Hui; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","Phase transition metal-crown ether coordination compounds tuned by metal ions.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1000","1006","10.1039/c5dt02631h","","","0.71073","MoKα","","0.0299","0.026","","","0.0614","0.0801","","","","","","1.164","","","","has coordinates","176045","2020-10-21","18:00:00",""
"7037443","10.0618","0.0003","14.4757","0.0004","25.0065","0.001","90","","90","","90","","3642.2","0.2","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 Cl O2 P Pd -","- C36 H28 Cl O2 P Pd -","- C144 H112 Cl4 O8 P4 Pd4 -","4","1","","Fleming, James T.; Ficks, Arne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","The design of second generation MOP-phosphonites: efficient chiral hydrosilylation of functionalised styrenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","1886","1890","10.1039/c5dt04475h","","","0.71073","MoKα","","0.0388","0.0318","","","0.0709","0.0737","","","","","","1.01","","","","has coordinates","176099","2020-10-21","18:00:00",""
"7037458","17.3662","0.0005","17.7466","0.0006","19.2509","0.0006","90","","90","","90","","5933","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H39 N -","- C42 H39 N -","- C336 H312 N8 -","8","2","","Frey, Okko N.; Stalling, Timo; Schlüter, Florian; Saak, Wolfgang; Schmidtmann, Marc; Haase, Detlev; Beckhaus, Rüdiger","Remarkable stability of tetrabenzo[a,c,g,i]fluorenyl ammonium salts in water: syntheses, reactions, and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","1085","1092","10.1039/c5dt04137f","","","0.71073","MoKα","","0.0623","0.0408","","","0.0781","0.0861","","","","","","1.067","","","","has coordinates","176051","2020-10-21","18:00:00",""
"7037461","6.075","0.005","12.054","0.005","26.823","0.005","90","0.005","90","0.005","90","0.005","1964.2","1.8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 Cl0 Cu N5 O3 S2 -","- C21 H13 Cu N5 O3 S2 -","- C84 H52 Cu4 N20 O12 S8 -","4","1","","Bansal, Deepak; Gupta, Rajeev","Chemosensors containing appended benzothiazole group(s): selective binding of Cu(2+) and Zn(2+) ions by two related receptors.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","502","507","10.1039/c5dt03669k","","","0.71073","MoKα","","0.0307","0.029","","","0.0722","0.073","","","","","","1.106","","","","has coordinates","176003","2020-10-21","18:00:00",""
"7037468","15.1213","0.0005","11.1057","0.0003","20.3596","0.0007","90","","90","","90","","3419.04","0.19","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 Cl N2 Rh -","- C38 H46 Cl N2 Rh -","- C152 H184 Cl4 N8 Rh4 -","4","1","","Paradiso, Veronica; Bertolasi, Valerio; Costabile, Chiara; Grisi, Fabia","Ruthenium olefin metathesis catalysts featuring unsymmetrical N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","561","571","10.1039/c5dt03758a","","","0.71073","MoKα","","0.09","0.0724","","","0.1686","0.1807","","","","","","1.051","","","","has coordinates,has disorder","176004","2020-10-21","18:00:00",""
"7037503","8.087","0.0005","8.4811","0.0004","30.4205","0.0017","90","","90","","90","","2086.4","0.2","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Chlorido{3-(oxo-?O)-2(-4-fluorophenyl)-6-methyl-pyran-4(1H)-thionato-?S}(?5-1,2,3,4,5-pentamethylcyclopentadienyl)rhodium(III)","","- C22 H23 Cl F O2 Rh S -","- C22 H23 Cl F O2 Rh S -","- C88 H92 Cl4 F4 O8 Rh4 S4 -","4","1","","Schmidlehner, Melanie; Flocke, Lea S.; Roller, Alexander; Hejl, Michaela; Jakupec, Michael A.; Kandioller, Wolfgang; Keppler, Bernhard K.","Cytotoxicity and preliminary mode of action studies of novel 2-aryl-4-thiopyrone-based organometallics.","Dalton transactions (Cambridge, England : 2003)","2015","45","2","724","733","10.1039/c5dt02722e","","","0.71073","MoKα","","0.0333","0.0254","","","0.0515","0.0553","","","","","","1.093","","","","has coordinates,has disorder","175996","2020-10-21","18:00:00",""
"7037506","12.2706","0.0004","14.1117","0.0007","14.6498","0.0006","90","","90","","90","","2536.75","0.18","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Cl3 Ge N P -","- C24 H27 Cl3 Ge N P -","- C96 H108 Cl12 Ge4 N4 P4 -","4","1","","Yu, Ying; Li, Jiancheng; Liu, Weiping; Ye, Qingsong; Zhu, Hongping","Amino group combined P/Ge and P/Sn Lewis pairs: synthesis and dipolar addition reactions to alkyne and aldehyde molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","14","6259","6268","10.1039/c5dt03873a","","","0.71073","MoKα","","0.0499","0.0413","","","0.0739","0.077","","","","","","1.016","","","","has coordinates","181731","2020-10-21","18:00:00",""
"7037528","16.2518","0.0004","21.2575","0.0008","25.0707","0.001","90","","90","","90","","8661.2","0.5","183","1","183","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H117 Co N16 O26 P -","- C68 H95 Co N16 O15 P -","- C272 H380 Co4 N64 O60 P4 -","4","1","","Santoro, Giuseppe; Beltrami, Ruben; Kottelat, Emmanuel; Blacque, Olivier; Bogdanova, Anna Yu; Zobi, Fabio","N-Nitrosamine-{cis-Re[CO]2}(2+) cobalamin conjugates as mixed CO/NO-releasing molecules.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1504","1513","10.1039/c5dt03402g","","","0.71073","MoKα","","0.1458","0.1037","","","0.2782","0.3167","","","","","","1.046","","","","has coordinates,has disorder","176027","2020-10-21","18:00:00",""
"7037541","9.9096","0.0003","13.3318","0.0004","17.2606","0.0006","90","","90","","90","","2280.35","0.13","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Br2 N4 O6 Pt -","- C14 H28 Br2 N4 O6 Pt -","- C56 H112 Br8 N16 O24 Pt4 -","4","1","","Xu, Zoufeng; Wang, Zhigang; Yiu, Shek-Man; Zhu, Guangyu","Mono- and di-bromo platinum(iv) prodrugs via oxidative bromination: synthesis, characterization, and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2015","44","46","19918","19926","10.1039/c5dt03101j","","","1.54178","CuKα","","0.0352","0.0336","","","0.0894","0.0908","","","","","","1.069","","","","has coordinates,has disorder","170862","2020-10-21","18:00:00",""
"7037561","13.0787","0.0004","16.7557","0.0005","18.7826","0.0006","90","","90","","90","","4116.1","0.2","80","2","80","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Complex 3a","","","- C44 H64 F N4 Nb -","- C44 H64 F N4 Nb -","- C176 H256 F4 N16 Nb4 -","4","1","","Nechayev, Michael; Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John","C-F sp(2) bond functionalization mediated by niobium complexes.","Dalton transactions (Cambridge, England : 2003)","2015","44","45","19494","19500","10.1039/c5dt02082d","","","0.71073","MoKα","","0.0257","0.0237","","","0.0552","0.0565","","","","","","1.028","","","","has coordinates,has disorder","170871","2020-10-21","18:00:00",""
"7037578","12.1286","0.0019","20.336","0.003","21.324","0.003","90","","90","","90","","5259.5","1.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C3 H54 Mn2 N7 O55 P V18 -","- C3 H12 Mn2 N7 O55 P V18 -","- C12 H48 Mn8 N28 O220 P4 V72 -","4","1","","Zhou, Yang-Yang; Yao, Shuang; Yan, Jing-Hui; Chen, Li; Wang, Ting-Ting; Wang, Chun-Jie; Zhang, Zhi-Ming","Design and synthesis of purely inorganic 3D frameworks composed of reduced vanadium clusters and manganese linkers.","Dalton transactions (Cambridge, England : 2003)","2015","44","47","20435","20440","10.1039/c5dt03397g","","","0.71073","MoKα","","0.0668","0.0544","","","0.1469","0.1564","","","","","","1.058","","","","has coordinates","170876","2020-10-21","18:00:00",""
"7037596","13.2169","0.001","16.1371","0.0011","33.29","0.003","90","","90","","90","","7100.2","1","123","1","123.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 Eu F8 N4 O2 -","- C32 H46 Eu F8 N4 O2 -","- C256 H368 Eu8 F64 N32 O16 -","8","2","","Deacon, Glen B.; Junk, Peter C.; Kelly, Rory P.; Wang, Jun","Exploring the effect of the Ln(III)/Ln(II) redox potential on C-F activation and on oxidation of some lanthanoid organoamides.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1422","1435","10.1039/c5dt04239a","","","0.71073","MoKα","","0.1831","0.0687","","","0.1134","0.1517","","","","","","0.928","","","","has coordinates","176013","2020-10-21","18:00:00",""
"7037625","17.451","0.0008","21.6779","0.0009","22.1731","0.0007","90","","90","","90","","8388.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H58 Eu K2 N10 P5 -","- C77 H58 Eu K2 N10 P5 -","- C308 H232 Eu4 K8 N40 P20 -","4","1","","Wang, Yongli; Guo, Wenzhen; Liu, Dongling; Yang, Ying; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of yttrium(iii), dysprosium(iii), erbium(iii), and europium(ii,iii): synthesis, X-ray structural characterization, and EPR analysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","3","899","903","10.1039/c5dt04285b","","x-ray","0.71073","MoKα","","0.1198","0.0724","","","0.1539","0.1793","","","","","","0.979","","","","has coordinates","176056","2020-10-21","18:00:00",""
"7037762","10.2282","0.0004","12.6403","0.0007","31.3839","0.0016","90","","90","","90","","4057.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 Cu N6 O19.5 -","- C34 H32 Cu N6 O19.5 -","- C136 H128 Cu4 N24 O78 -","4","1","","Abosede, Olufunso O.; Vyas, Nilima A.; Singh, Sushma B.; Kumbhar, Avinash S.; Kate, Anup; Kumbhar, Anupa A.; Khan, Ayesha; Erxleben, Andrea; Smith, Peter; de Kock, Carmen; Hoffmann, Frank; Obaleye, Joshua A.","Copper(ii) mixed-ligand polypyridyl complexes with doxycycline - structures and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3003","3012","10.1039/c5dt04405g","","","0.7107","MoKα","","0.0886","0.0632","","","0.1478","0.167","","","","","","1.047","","","","has coordinates","177769","2020-10-21","18:00:00",""
"7037763","10.2571","0.0007","12.8336","0.0008","28.5532","0.0019","90","","90","","90","","3758.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Aqua-bipyridine-(6-deoxy-5-oxytetracyclinato)copper(II)-nitrate- tetrahydrate","","- C32 H33 Cu N5 O12 -","- C32 H33 Cu N5 O12 -","- C128 H132 Cu4 N20 O48 -","4","1","","Abosede, Olufunso O.; Vyas, Nilima A.; Singh, Sushma B.; Kumbhar, Avinash S.; Kate, Anup; Kumbhar, Anupa A.; Khan, Ayesha; Erxleben, Andrea; Smith, Peter; de Kock, Carmen; Hoffmann, Frank; Obaleye, Joshua A.","Copper(ii) mixed-ligand polypyridyl complexes with doxycycline - structures and biological evaluation.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3003","3012","10.1039/c5dt04405g","","","0.71073","MoKα","","0.0882","0.0721","","","0.1935","0.2017","","","","","","1.041","","","","has coordinates","177769","2020-10-21","18:00:00",""
"7037768","12.4367","0.0007","15.9921","0.0009","16.263","0.001","90","","90","","90","","3234.5","0.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl6 Fe2 In2 N6 O4 -","- C16 H18 Cl6 Fe2 In2 N6 O4 -","- C64 H72 Cl24 Fe8 In8 N24 O16 -","4","1","","Itazaki, Masumi; Ito, Masaki; Nakashima, Satoru; Nakazawa, Hiroshi","Synthesis and characterization of [Fe(NCCH3)6][cis-Fe(InX3)2(CO)4] (X = Cl, Br, I) containing two terminal indium fragments.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1327","1330","10.1039/c5dt03745j","","","0.7107","MoKα","","0.0325","0.0302","","","0.0572","0.0586","","","","","","1.064","","","","has coordinates","176022","2020-10-21","18:00:00",""
"7037775","11.68817","0.00016","16.2081","0.0002","21.9269","0.0003","90","","90","","90","","4153.9","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 F7 P3 Ru -","- C47 H44 F7 P3 Ru -","- C188 H176 F28 P12 Ru4 -","4","1","","Milner, Lucy M.; Hall, Lewis M.; Pridmore, Natalie E.; Skeats, Matthew K.; Whitwood, Adrian C.; Lynam, Jason M.; Slattery, John M.","Access to novel fluorovinylidene ligands via exploitation of outer-sphere electrophilic fluorination: new insights into C-F bond formation and activation.","Dalton transactions (Cambridge, England : 2003)","2016","45","4","1717","1726","10.1039/c5dt04596g","","x-ray","0.71073","MoKα","","0.0245","0.0228","","","0.0524","0.0532","","","","","","1.07","","","","has coordinates,has disorder","176035","2020-10-21","18:00:00",""
"7037889","5.163","0.002","9.73","0.004","14.574","0.006","90","","90","","90","","732.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ba Cu2 H2 O9 P2 -","- Ba Cu2 H2 O9 P2 -","- Ba4 Cu8 H8 O36 P8 -","4","1","","Yang, Ming; Cui, Meiyan; Zhang, Suyun; Xiang, Hongping; Guo, Wenbin; He, Zhangzhen","Two S = 1/2 one-dimensional barium copper phosphates showing antiferromagnetic and ferromagnetic intrachain interactions.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3319","3326","10.1039/c5dt03725e","","","0.71073","MoKα","","0.0134","0.0128","","","0.0309","0.031","","","","","","1.138","","","","has coordinates","177839","2020-10-21","18:00:00",""
"7037898","9.017","0.006","9.606","0.006","18.689","0.012","90","","90","","90","","1618.8","1.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ba3 Cs2 O14 P4 -","- Ba3 Cs2 O14 P4 -","- Ba12 Cs8 O56 P16 -","4","1","","Li, Lin; Han, Shujuan; Lei, Bing-Hua; Wang, Ying; Li, Hongyi; Yang, Zhihua; Pan, Shilie","Three new phosphates with isolated P2O7 units: noncentrosymmetric Cs2Ba3(P2O7)2 and centrosymmetric Cs2BaP2O7 and LiCsBaP2O7.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3936","3942","10.1039/c5dt05026j","","","0.71073","MoKα","","0.0239","0.0222","","","0.0479","0.0488","","","","","","1.061","","","","has coordinates","177857","2020-10-21","18:00:00",""
"7037934","8.5858","0.0005","19.6165","0.0009","15.6007","0.001","90","","90","","90","","2627.5","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 Cr O6 P -","- C31 H21 Cr O6 P -","- C124 H84 Cr4 O24 P4 -","4","1","","García, C Murcia; Ferao, A. Espinosa; Schnakenburg, G.; Streubel, R.","CPh3 as a functional group in P-heterocyclic chemistry: elimination of HCPh3 in the reaction of P-CPh3 substituted Li/Cl phosphinidenoid complexes with Ph2C[double bond, length as m-dash]O.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2378","2385","10.1039/c5dt04595a","","","0.71073","MoKα","","0.0816","0.0409","","","0.0495","0.0567","","","","","","0.623","","","","has coordinates","177806","2020-10-21","18:00:00",""
"7037935","8.6515","0.0003","15.6935","0.0004","19.977","0.0008","90","","90","","90","","2712.32","0.16","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 Mo O6 P -","- C31 H21 Mo O6 P -","- C124 H84 Mo4 O24 P4 -","4","1","","García, C Murcia; Ferao, A. Espinosa; Schnakenburg, G.; Streubel, R.","CPh3 as a functional group in P-heterocyclic chemistry: elimination of HCPh3 in the reaction of P-CPh3 substituted Li/Cl phosphinidenoid complexes with Ph2C[double bond, length as m-dash]O.","Dalton transactions (Cambridge, England : 2003)","2016","45","6","2378","2385","10.1039/c5dt04595a","","","0.71073","MoKα","","0.0646","0.0432","","","0.0549","0.0585","","","","","","0.84","","","","has coordinates","177806","2020-10-21","18:00:00",""
"7037946","10.0549","0.0001","10.8831","0.0002","23.6863","0.0004","90","","90","","90","","2591.96","0.07","120","2","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 Cr N O4 P2 -","- C27 H31 Cr N O4 P2 -","- C108 H124 Cr4 N4 O16 P8 -","4","1","","Haddow, Mairi F.; Jaltai, Judit; Hanton, Martin; Pringle, Paul G.; Rush, Laura E.; Sparkes, Hazel A.; Woodall, Christopher H.","Aminophobanes: hydrolytic stability, tautomerism and application in Cr-catalysed ethene oligomerisation.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2294","2307","10.1039/c5dt04394h","","x-ray","0.71073","MoKα","","0.0404","0.0328","","","0.0712","0.0742","","","","","","1.041","","","","has coordinates","176097","2020-10-21","18:00:00",""
"7037997","3.84135","0.0001","9.929","0.0002","22.756","0.0006","90","","90","","90","","867.93","0.04","137","","137","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 Br N2 O -","- C9 H7 Br N2 O -","- C36 H28 Br4 N8 O4 -","4","1","","Healy, Mary R.; Roebuck, James W.; Doidge, Euan D.; Emeleus, Lucy C.; Bailey, Philip J.; Campbell, John; Fischmann, Adam J.; Love, Jason B.; Morrison, Carole A.; Sassi, Thomas; White, David J.; Tasker, Peter A.","Contributions of inner and outer coordination sphere bonding in determining the strength of substituted phenolic pyrazoles as copper extractants.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","3055","3062","10.1039/c5dt04055h","","","1.54184","CuKα","","0.0198","0.0192","","0.0465","0.0463","0.0465","","","","","","1.0189","","","","has coordinates","177788","2020-10-21","18:00:00",""
"7038046","17.559","0.0011","17.7832","0.0013","19.6079","0.0014","90","","90","","90","","6122.7","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H84 Mo6 N4 O18 -","- C50 H84 Mo6 N4 O18 -","- C200 H336 Mo24 N16 O72 -","4","1","","Al-Yasari, Ahmed; Van Steerteghem, Nick; El Moll, Hani; Clays, Koen; Fielden, John","Donor-acceptor organo-imido polyoxometalates: high transparency, high activity redox-active NLO chromophores.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2818","2822","10.1039/c6dt00115g","","","0.71073","MoKα","","0.1717","0.0702","","","0.1543","0.1956","","","","","","0.914","","","","has coordinates,has disorder","177777","2020-10-21","18:00:00",""
"7038047","15.9271","0.0011","24.5421","0.0017","29.984","0.002","90","","90","","90","","11720.3","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H82 Mo6 N4 O18 -","- C46 H82 Mo6 N4 O18 -","- C368 H656 Mo48 N32 O144 -","8","2","","Al-Yasari, Ahmed; Van Steerteghem, Nick; El Moll, Hani; Clays, Koen; Fielden, John","Donor-acceptor organo-imido polyoxometalates: high transparency, high activity redox-active NLO chromophores.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2818","2822","10.1039/c6dt00115g","","x-ray","0.71073","MoKα","","0.0558","0.0533","","","0.1442","0.1466","","","","","","0.985","","","","has coordinates,has disorder","177777","2020-10-21","18:00:00",""
"7038050","17.0266","0.0014","18.1629","0.0015","19.1642","0.0015","90","","90","","90","","5926.6","0.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H82 Cl2 Cr3 N2 P4 -","- C46 H82 Cl2 Cr3 N2 P4 -","- C184 H328 Cl8 Cr12 N8 P16 -","4","1","","Simler, Thomas; Frison, Gilles; Braunstein, Pierre; Danopoulos, Andreas A.","Direct synthesis of doubly deprotonated, dearomatised lutidine PNP Cr and Zr pincer complexes based on isolated K and Li ligand transfer reagents.","Dalton transactions (Cambridge, England : 2003)","2016","45","7","2800","2804","10.1039/c6dt00144k","","","0.71073","MoKα","","0.1515","0.0731","","","0.121","0.1396","","","","","","0.898","","","","has coordinates,has disorder","177782","2020-10-21","18:00:00",""
"7038141","12.5369","0.0002","12.7379","0.0002","43.8743","0.0007","90","","90","","90","","7006.45","0.19","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47.54 H96.77 I5 N2.57 Nd3 O11.44 S4 -","- C47.538 H96.762 I5 N2.562 Nd3 O11.438 S4 -","- C190.152 H387.048 I20 N10.248 Nd12 O45.752 S16 -","4","1","","Fagin, A. A.; Fukin, G. K.; Cherkasov, A. V.; Shestakov, A. F.; Pushkarev, A. P.; Balashova, T. V.; Maleev, A. A.; Bochkarev, M. N.","Ln3I5(S2N2)(S2)(THF)10- a new type of molecular compounds.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4558","4562","10.1039/c5dt04742k","","","0.71073","MoKα","","0.0558","0.054","","","0.1107","0.1118","","","","","","1.188","","","","has coordinates,has disorder","181687","2020-10-21","18:00:00",""
"7038143","15.6938","0.0007","17.052","0.0008","26.2736","0.0012","90","","90","","90","","7031.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70.5 H63 F10 O5.5 P4 Pt3 -","- C70.5 H61 F10 O5.5 P4 Pt3 -","- C282 H244 F40 O22 P16 Pt12 -","4","1","","Ara, Irene; Forniés, Juan; Ibáñez, Susana; Mastrorilli, Piero; Todisco, Stefano; Gallo, Vito","Polynuclear platinum phosphanido/phosphinito complexes: formation of P-O and P-O-P bonds through reductive coupling processes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2156","2171","10.1039/c5dt02593a","","","0.71073","MoKα","","0.0475","0.0426","","","0.0993","0.1018","","","","","","1.057","","","","has coordinates","175207","2020-10-21","18:00:00",""
"7038152","11.5434","0.0005","17.6337","0.0007","20.4488","0.0008","90","","90","","90","","4162.4","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H60 F3 O3 P2 Rh S Si -","- C44 H60 F3 O3 P2 Rh S Si -","- C176 H240 F12 O12 P8 Rh4 S4 Si4 -","4","1","","Whited, Matthew T.; Deetz, Alexander M.; Donnell, Theodore M.; Janzen, Daron E.","Examining the role of Rh/Si cooperation in alkene hydrogenation by a pincer-type [P2Si]Rh complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9758","9761","10.1039/c6dt00027d","","","0.71073","MoKα","","0.0519","0.0384","","","0.069","0.0724","","","","","","1.066","","","","has coordinates","185376","2020-10-21","18:00:00",""
"7038166","8.2408","0.0013","12.5927","0.0019","23.083","0.004","90","","90","","90","","2395.4","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 Cl3 N Rh S2 -","- C19 H33 Cl3 N Rh S2 -","- C76 H132 Cl12 N4 Rh4 S8 -","4","1","","Bottorff, Shalina C.; Powell, Ashton S.; Barnes, Charles L.; Wherland, Scot; Benny, Paul D.","Recovery of rhodium with a novel soft donor ligand using solvent extraction techniques in chloride media.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3264","3267","10.1039/c5dt04876a","","","0.71073","MoKα","","0.0268","0.0245","","","0.0567","0.0578","","","","","","1.029","","","","has coordinates,has disorder","177842","2020-10-21","18:00:00",""
"7038169","8.9505","0.0007","9.6294","0.0009","31.735","0.003","90","","90","","90","","2735.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 Fe P2 Si2 -","- C24 H44 Fe P2 Si2 -","- C96 H176 Fe4 P8 Si8 -","4","1","","Kargin, Denis; Kelemen, Zsolt; Krekić, Kristijan; Maurer, Martin; Bruhn, Clemens; Nyulászi, László; Pietschnig, Rudolf","[3]Ferrocenophanes with the bisphosphanotetryl bridge: inorganic rings on the way to tetrylenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","5","2180","2189","10.1039/c5dt03107a","","","0.71073","MoKα","","0.0337","0.0271","","","0.0579","0.0598","","","","","","0.975","","","","has coordinates","175213","2020-10-21","18:00:00",""
"7038191","10.35105","0.00007","19.11058","0.00014","24.09731","0.00016","90","","90","","90","","4766.8","0.06","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H48 Fe N O7 P -","- C59 H48 Fe N O7 P -","- C236 H192 Fe4 N4 O28 P4 -","4","1","","Hodgkinson, Roy; Del Grosso, Alessandro; Clarkson, Guy; Wills, Martin","Iron cyclopentadienone complexes derived from C2-symmetric bis-propargylic alcohols; preparation and applications to catalysis.","Dalton transactions (Cambridge, England : 2003)","2016","45","9","3992","4005","10.1039/c5dt04610f","","x-ray","1.54184","CuKα","","0.039","0.0361","","","0.0977","0.1006","","","","","","1.043","","","","has coordinates","177867","2020-10-21","18:00:00",""
"7038200","13.058","0.003","18.478","0.004","28.214","0.006","90","","90","","90","","6808","3","153","","153","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H83 F12 Ir N2 O3 P6 -","- C63 H83 F12 Ir N2 O3 P6 -","- C252 H332 F48 Ir4 N8 O12 P24 -","4","1","","Nakajima, Takayuki; Noda, Sayo; Sakamoto, Miyuki; Matsui, Aya; Nakamae, Kanako; Kure, Bunsho; Ura, Yasuyuki; Tanase, Tomoaki","Oxidative addition of an aromatic ortho C-H bond of tetraphosphine to asymmetric diiridium(i) centres.","Dalton transactions (Cambridge, England : 2003)","2016","45","11","4747","4761","10.1039/c5dt04725k","","","0.71075","MoKα","","","0.0657","","","","0.1803","","","","","","1.106","","","","has coordinates","181706","2020-10-21","18:00:00",""
"7038210","8.1815","0.0016","10.46","0.002","19.705","0.004","90","","90","","90","","1686.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N2 Na O5 -","- C19 H15 N2 Na O5 -","- C76 H60 N8 Na4 O20 -","4","1","","Zhao, Hai-Qing; Yang, Shui-Ping; Ding, Ni-Ni; Qin, Liang; Qiu, Gui-Hua; Chen, Jin-Xiang; Zhang, Wen-Hua; Chen, Wen-Hua; Hor, T. S. Andy","A zwitterionic 1D/2D polymer co-crystal and its polymorphic sub-components: a highly selective sensing platform for HIV ds-DNA sequences.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5092","5100","10.1039/c5dt04410c","","","0.71073","MoKα","","0.0609","0.0492","","","0.1004","0.1047","","","","","","1.099","","","","has coordinates","181654","2020-10-21","18:00:00",""
"7038236","8.858","0.0002","19.663","0.0005","21.186","0.0007","90","","90","","90","","3690.07","0.17","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","33G","33G","","- C19 H13 N5 O Pb S -","- C19 H13 N5 O Pb S -","- C152 H104 N40 O8 Pb8 S8 -","8","2","","Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio","Concurrent agostic and tetrel bonding interactions in lead(ii) complexes with an isonicotinohydrazide based ligand and several anions.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","4965","4969","10.1039/c6dt00131a","","","0.71073","MoKα","","0.0786","0.0454","","","0.0891","0.0985","","","","","","0.95","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7038259","10.982","0.002","12.179","0.0014","13.45","0.003","90","","90","","90","","1798.9","0.6","198","","198","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl N2 Ru -","- C20 H23 Cl N2 Ru -","- C80 H92 Cl4 N8 Ru4 -","4","1","","Schleicher, David; Tronnier, Alexander; Leopold, Hendrik; Borrmann, Horst; Strassner, Thomas","Unusual dimer formation of cyclometalated ruthenium NHC p-cymene complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","8","3260","3263","10.1039/c6dt00100a","","x-ray","0.71073","MoKα","","0.0289","0.0227","","","0.0636","0.066","","","","","","1.264","","","","has coordinates","211179","2020-10-21","18:00:00",""
"7038344","15.441","0.002","16.407","0.002","17.367","0.002","90","","90","","90","","4399.8","0.9","100","","100","","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 B2 Cl5 F2 Fe N6 O8 P S -","- C34 H30 B2 Cl F2 Fe N6 O8 P S -","- C136 H120 B8 Cl4 F8 Fe4 N24 O32 P4 S4 -","4","1","","Artyushin, Oleg I.; Matveeva, Ekaterina V.; Vologzhanina, Anna V.; Voloshin, Yan Z.","Clathrochelates meet phosphorus. New thio- and phosphorylation reactions of an iron(ii) dichloroclathrochelate precursor and preparation of its first phosphorus(iii)-containing macrobicyclic derivative.","Dalton transactions (Cambridge, England : 2003)","2016","45","12","5328","5333","10.1039/c6dt00164e","","","0.71073","MoKα","","0.1366","0.0937","","","0.1754","0.1928","","","","","","1.046","","","","has coordinates,has disorder","181676","2020-10-21","18:00:00",""
"7038400","11.135","0.002","13.332","0.002","13.562","0.003","90","","90","","90","","2013.3","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4,5-bis(dimethylaminemethylene)acridine cadmium bromide","","- C19 H23 Br2 Cd N3 -","- C19 H23 Br2 Cd N3 -","- C76 H92 Br8 Cd4 N12 -","4","1","","Visscher, A.; Bachmann, S.; Schnegelsberg, C.; Teuteberg, T.; Mata, R. A.; Stalke, D.","Highly selective and sensitive fluorescence detection of Zn(2+) and Cd(2+) ions by using an acridine sensor.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5689","5699","10.1039/c6dt00557h","","","0.56086","AgKα","","0.0129","0.0121","","","0.0261","0.0263","","","","","","1.014","","","","has coordinates","181648","2020-10-21","18:00:00",""
"7038470","10.2652","0.0002","15.8355","0.0003","25.8307","0.0007","90","","90","","90","","4198.9","0.16","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H32 Cl7 Ir O P2 Si -","- C39 H32 Cl7 Ir O P2 Si -","- C156 H128 Cl28 Ir4 O4 P8 Si4 -","4","1","","Kameo, H.; Ikeda, K.; Sakaki, S.; Takemoto, S.; Nakazawa, H.; Matsuzaka, H.","Experimental and theoretical studies of Si-Cl and Ge-Cl σ-bond activation reactions by iridium-hydride.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7570","7580","10.1039/c6dt00003g","","","0.7107","MoKα","","0.0329","0.0307","","","0.0642","0.0661","","","","","","1.094","","","","has coordinates,has disorder","182667","2020-10-21","18:00:00",""
"7038536","16.0831","0.0011","19.0939","0.0014","21.8387","0.0015","90","","90","","90","","6706.4","0.8","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 K O6.5 Si Te -","- C30 H47 K O6.5 Si Te -","- C240 H376 K8 O52 Si8 Te8 -","8","2","","Brown, Jessie L.; Montgomery, Ashley C.; Samaan, Christopher A.; Janicke, Michael T.; Scott, Brian L.; Gaunt, Andrew J.","Synthesis and characterization of potassium aryl- and alkyl-substituted silylchalcogenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","9841","9852","10.1039/c5dt04433b","","","0.71073","MoKα","","0.0337","0.0252","","","0.058","0.0614","","","","","","1.059","","","","has coordinates","185387","2020-10-21","18:00:00",""
"7038537","6.841","0.0004","7.0291","0.0003","12.6402","0.0004","90","","90","","90","","607.82","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-hydroxy-2-hydroxymethylpyridin-4(1H)-one","","","- C6 H7 N O3 -","- C6 H7 N O3 -","- C24 H28 N4 O12 -","4","1","","Lachowicz, J. I.; Nurchi, V. M.; Crisponi, G.; Jaraquemada-Pelaez, M G; Arca, M.; Pintus, A.; Santos, M. A.; Quintanova, C.; Gano, L.; Szewczuk, Z.; Zoroddu, M. A.; Peana, M.; Domínguez-Martín, A; Choquesillo-Lazarte, D","Hydroxypyridinones with enhanced iron chelating properties. Synthesis, characterization and in vivo tests of 5-hydroxy-2-(hydroxymethyl)pyridine-4(1H)-one.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6517","6528","10.1039/c6dt00129g","","","0.71073","MoKα","","0.0278","0.0264","","","0.0666","0.0675","","","","","","1.094","","","","has coordinates","182707","2020-10-21","18:00:00",""
"7038538","4.0937","0.0004","10.2147","0.0009","31.067","0.003","90","","90","","90","","1299.1","0.2","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O2 Pt -","- C14 H14 N2 O2 Pt -","- C56 H56 N8 O8 Pt4 -","4","1","","Ohno, Keiji; Yamaguchi, Shohei; Nagasawa, Akira; Fujihara, Takashi","Mechanochromism in the luminescence of novel cyclometalated platinum(ii) complexes with α-aminocarboxylates.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5492","5503","10.1039/c5dt04516a","","","0.71073","MoKα","","0.0174","0.0167","","","0.0347","0.035","","","","","","1.169","","","","has coordinates","181626","2020-10-21","18:00:00",""
"7038588","6.8441","0.0001","9.1456","0.0002","36.4541","0.0009","90","","90","","90","","2281.79","0.08","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl2 O P Ru -","- C22 H31 Cl2 O P Ru -","- C88 H124 Cl8 O4 P4 Ru4 -","4","1","","Graux, Lionel V.; Giorgi, Michel; Buono, Gérard; Clavier, Hervé","[RuCl2(η(6)-p-cymene)] complexes bearing phosphinous acid ligands: preparation, application in C-H bond functionalization and mechanistic investigations.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6491","6502","10.1039/c5dt04683a","","x-ray","0.71073","MoKα","","0.0598","0.0334","","","0.0545","0.0614","","","","","","0.886","","","","has coordinates","182686","2020-10-21","18:00:00",""
"7038612","10.0034","0.0005","17.8518","0.0009","17.9626","0.0009","90","","90","","90","","3207.7","0.3","90","2","90","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 B F4 N O P Rh -","- C34 H48 B F4 N O P Rh -","- C136 H192 B4 F16 N4 O4 P4 Rh4 -","4","1","","Serin, Spencer C.; Dake, Gregory R.; Gates, Derek P.","Phosphaalkene-oxazoline copolymers with styrene as chiral ligands for rhodium(i).","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5659","5666","10.1039/c6dt00306k","","x-ray","0.71073","MoKα","","0.0309","0.0268","","","0.056","0.0578","","","","","","1.042","","","","has coordinates","181639","2020-10-21","18:00:00",""
"7038690","19.4556","0.0003","19.8765","0.0002","33.6182","0.0005","90","","90","","90","","13000.5","0.3","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H48 F6 P5 Re Si -","- C19 H48 F6 P5 Re Si -","- C304 H768 F96 P80 Re16 Si16 -","16","4","","Li, Yan; Blacque, Olivier; Fox, Thomas; Luber, Sandra; Polit, Walther; Winter, Rainer F.; Venkatesan, Koushik; Berke, Heinz","Electronic communication in phosphine substituted bridged dirhenium complexes - clarifying ambiguities raised by the redox non-innocence of the C4H2- and C4-bridges.","Dalton transactions (Cambridge, England : 2003)","2016","45","13","5783","5799","10.1039/c5dt04768d","","","0.71073","MoKα","","0.0615","0.0414","","","0.084","0.0872","","","","","","0.942","","","","has coordinates,has disorder","181636","2020-10-21","18:00:00",""
"7038713","11.214","0.0004","14.028","0.0005","23.0967","0.0007","90","","90","","90","","3633.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H64 P2 Pt Si2 -","- C34 H64 P2 Pt Si2 -","- C136 H256 P8 Pt4 Si8 -","4","1","","Mitzenheim, Cathérine; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy","Hydrodealkoxylation reactions of silyl ligands at platinum: reactivity of SiH3 and SiH2Me complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6394","6404","10.1039/c5dt04923g","","","0.71073","MoKα","","0.0257","0.0229","","","0.0456","0.0463","","","","","","0.998","","","","has coordinates","182696","2020-10-21","18:00:00",""
"7038768","11.212","0.0003","17.6716","0.0005","20.9835","0.0006","90","","90","","90","","4157.5","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H30 F6 Ir N7 O2 P2 -","- C44 H30 F6 Ir N7 O2 P2 -","- C176 H120 F24 Ir4 N28 O8 P8 -","4","1","","Xu, Qiu-Lei; Liang, Xiao; Jiang, Liang; Zhao, Yue; Zheng, You-Xuan","Crystal structure, photoluminescence and electroluminescence of three bluish green light-emitting iridium complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","17","7366","7372","10.1039/c6dt00518g","","","0.71073","MoKα","","0.0549","0.0531","","","0.1514","0.153","","","","","","1.048","","","","has coordinates","182751","2020-10-21","18:00:00",""
"7038817","7.558","0.0002","10.8156","0.0003","25.7212","0.0008","90","","90","","90","","2102.56","0.1","105","","105","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","BbF8","","","- C27 H22 B F2 N3 -","- C27 H22 B F2 N3 -","- C108 H88 B4 F8 N12 -","4","1","","Bessette, André; Auvray, Thomas; Désilets, Denis; Hanan, Garry S.","Non-symmetric benzo[b]-fused BODIPYs as a versatile fluorophore platform reaching the NIR: a systematic study of the underlying structure-property relationship.","Dalton transactions (Cambridge, England : 2003)","2016","45","18","7589","7604","10.1039/c5dt04444h","","x-ray","1.34139","GaKα","","0.0278","0.0277","","","0.0721","0.0723","","","","","","1.047","","","","has coordinates","182678","2020-10-21","18:00:00",""
"7038823","15.2115","0.0003","16.7551","0.0004","19.905","0.0004","90","","90","","90","","5073.19","0.19","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H38 Cu2 N6 O5 -","- C45 H38 Cu2 N6 O5 -","- C180 H152 Cu8 N24 O20 -","4","1","","Kügler, Merle; Scholz, Julius; Kronz, Andreas; Siewert, Inke","Copper complexes as catalyst precursors in the electrochemical hydrogen evolution reaction.","Dalton transactions (Cambridge, England : 2003)","2016","45","16","6974","6982","10.1039/c6dt00082g","","","0.71073","MoKα","","0.041","0.0358","","","0.0835","0.0853","","","","","","0.987","","","","has coordinates,has disorder","182732","2020-10-21","18:00:00",""
"7038829","7.666","0.002","13.325","0.003","14.112","0.003","90","","90","","90","","1441.5","0.6","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N P S2 -","- C14 H16 N P S2 -","- C56 H64 N4 P4 S8 -","4","1","","Kirst, Christin; Bode, Bela E.; Cordes, David B.; Nejman, Phillip S.; Slawin, Alexandra M. Z.; Karaghiosoff, Konstantin; Woollins, J. Derek","Diphosphane 2,2'-binaphtho[1,8-de][1,3,2]dithiaphosphinine and the easy formation of a stable phosphorus radical cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6348","6351","10.1039/c6dt00304d","","","0.71075","MoKα","","0.0761","0.0541","","","0.1348","0.1465","","","","","","1.058","","","","has coordinates","182705","2020-10-21","18:00:00",""
"7038981","8.5998","0.0003","11.0603","0.0003","23.598","0.0007","90","","90","","90","","2244.56","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 B Fe O P -","- C28 H24 B Fe O P -","- C112 H96 B4 Fe4 O4 P4 -","4","1","","Clavero, Pau; Grabulosa, Arnald; Rocamora, Mercè; Muller, Guillermo; Font-Bardia, Mercè","Ruthenium complexes of P-stereogenic phosphines with a heterocyclic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8513","8531","10.1039/c6dt00995f","","","0.71073","MoKα","","0.0559","0.0425","","","0.0892","0.0946","","","","","","0.929","","","","has coordinates","185413","2020-10-21","18:00:00",""
"7038982","7.3458","0.0017","8.618","0.002","36.464","0.01","90","","90","","90","","2308.4","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 B Fe P S -","- C28 H24 B Fe P S -","- C112 H96 B4 Fe4 P4 S4 -","4","1","","Clavero, Pau; Grabulosa, Arnald; Rocamora, Mercè; Muller, Guillermo; Font-Bardia, Mercè","Ruthenium complexes of P-stereogenic phosphines with a heterocyclic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8513","8531","10.1039/c6dt00995f","","","0.71073","MoKα","","0.078","0.0485","","","0.0749","0.0822","","","","","","1.077","","","","has coordinates","185413","2020-10-21","18:00:00",""
"7038984","11.1253","0.0006","11.4269","0.0007","24.3531","0.0015","90","","90","","90","","3096","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Cl4 O P Ru -","- C32 H35 Cl4 O P Ru -","- C128 H140 Cl16 O4 P4 Ru4 -","4","1","","Clavero, Pau; Grabulosa, Arnald; Rocamora, Mercè; Muller, Guillermo; Font-Bardia, Mercè","Ruthenium complexes of P-stereogenic phosphines with a heterocyclic substituent.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8513","8531","10.1039/c6dt00995f","","","0.71073","MoKα","","0.059","0.0396","","","0.0712","0.0776","","","","","","1.004","","","","has coordinates","185413","2020-10-21","18:00:00",""
"7039012","10.961","0.0004","11.7192","0.0003","32.6884","0.001","90","","90","","90","","4199","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","K6PDIMoI","","","- C42.995 H49.99 I Mo N3 O P2 -","- C42.996 H49.99 I Mo N3 O0.999 P2 -","- C171.984 H199.96 I4 Mo4 N12 O3.996 P8 -","4","1","","Pal, Raja; Cherry, Brian R.; Flores, Marco; Groy, Thomas L.; Trovitch, Ryan J.","Isolation of a bis(imino)pyridine molybdenum(i) iodide complex through controlled reduction and interconversion of its reaction products.","Dalton transactions (Cambridge, England : 2003)","2016","45","24","10024","10033","10.1039/c6dt00301j","","","0.71073","MoKα","","0.045","0.0401","","","0.1086","0.1118","","","","","","1.047","","","","has coordinates,has disorder","185389","2020-10-21","18:00:00",""
"7039053","9.2619","0.0001","17.2697","0.0002","19.4857","0.0003","90","","90","","90","","3116.74","0.07","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 Cl2 Cu I N2 P S2 -","- C29 H33 Cl2 Cu I N2 P S2 -","- C116 H132 Cl8 Cu4 I4 N8 P4 S8 -","4","1","","Cox, Katrina; Kariuki, Benson M.; Smyth, Alexander; Newman, Paul D.","N2S2 and N4S4 precursors to PS2 macrocycles and cyclic amidinium salts.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8485","8493","10.1039/c6dt00806b","","","1.54184","CuKα","","0.0318","0.029","","","0.0726","0.0744","","","","","","1.006","","","","has coordinates,has disorder","185416","2020-10-21","18:00:00",""
"7039061","9.3779","0.0008","10.1838","0.0009","22.3045","0.0018","90","","90","","90","","2130.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Cl N2 O Pd -","- C26 H19 Cl N2 O Pd -","- C104 H76 Cl4 N8 O4 Pd4 -","4","1","","Santana, M. D.; López-Banet, L; Sánchez, G; Pérez, J; Pérez, E; García, L; Serrano, J. L.; Espinosa, A.","Non-covalent stacking interactions directing the structural and photophysical features of mono- and dinuclear cyclometalated palladium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","20","8601","8613","10.1039/c5dt04913j","","","0.71073","MoKα","","0.0726","0.0475","","","0.0949","0.1002","","","","","","1.003","","","","has coordinates","185427","2020-10-21","18:00:00",""
"7039079","10.6876","0.0002","16.433","0.0003","17.8191","0.0003","90","","90","","90","","3129.56","0.1","122.8","0.6","123","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H41 Fe P Si -","- C36 H41 Fe P Si -","- C144 H164 Fe4 P4 Si4 -","4","1","","Hoidn, Christian M.; Wolf, Robert","Reaction of a 2,4,6-triphenylphosphinine ferrate anion with electrophiles: a new route to phosphacyclohexadienyl complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8875","8884","10.1039/c6dt00336b","","x-ray","1.54184","CuKα","","0.04","0.0383","","","0.0983","0.1001","","","","","","1.042","","","","has coordinates","185432","2020-10-21","18:00:00",""
"7039136","13.5989","0.0004","14.5801","0.0004","15.3708","0.0004","90","","90","","90","","3047.62","0.15","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Cl4 N3 O2 Re -","- C28 H28 Cl4 N3 O2 Re -","- C112 H112 Cl16 N12 O8 Re4 -","4","1","","Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin","Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8885","8896","10.1039/c6dt00661b","","","0.71073","MoKα","","0.0187","0.0173","","","0.0441","0.0446","","","","","","1.045","","","","has coordinates","185434","2020-10-21","18:00:00",""
"7039137","13.6894","0.0003","14.7004","0.0004","15.2437","0.0004","90","","90","","90","","3067.64","0.13","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Br Cl3 N3 O2 Re -","- C28 H28 Br Cl3 N3 O2 Re -","- C112 H112 Br4 Cl12 N12 O8 Re4 -","4","1","","Bulsink, Philip; Al-Ghamdi, Ahlam; Joshi, Prajesh; Korobkov, Ilia; Woo, Tom; Richeson, Darrin","Capturing Re(i) in an neutral N,N,N pincer Scaffold and resulting enhanced absorption of visible light.","Dalton transactions (Cambridge, England : 2003)","2016","45","21","8885","8896","10.1039/c6dt00661b","","","0.71073","MoKα","","0.0202","0.0187","","","0.0475","0.048","","","","","","1.032","","","","has coordinates","185434","2020-10-21","18:00:00",""
"7039202","9.6374","0.0018","15.312","0.003","18.465","0.004","90","","90","","90","","2724.8","0.9","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O16 P4 U2 -","- C16 H23 N O16 P4 U2 -","- C64 H92 N4 O64 P16 U8 -","4","1","","Zheng, Tao; Gao, Yang; Gui, Daxiang; Chen, Lanhua; Sheng, Daopeng; Diwu, Juan; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao","Atypical temperature-dependence of symmetry transformation observed in a uranyl phosphonate.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9031","9035","10.1039/c6dt01011c","","","0.71073","MoKα","","0.0304","0.0242","","","0.0616","0.0708","","","","","","1.093","","","","has coordinates","185311","2020-10-21","18:00:00",""
"7039244","9.1696","0.0008","10.2343","0.0009","41.196","0.004","90","","90","","90","","3866","0.6","100","","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 B O10 S16 -","- C28 H24 B O10 S16 -","- C112 H96 B4 O40 S64 -","4","1","","Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Yamada, Jun-Ichi; Kadoya, Tomofumi; Coles, Simon J.; Wilson, Claire","Enantiopure and racemic radical-cation salts of B(malate)2(-) anions with BEDT-TTF.","Dalton transactions (Cambridge, England : 2003)","2016","45","22","9285","9293","10.1039/c6dt01038e","","","0.71075","MoKα","","0.0825","0.076","","","0.1891","0.198","","","","","","1.064","","","","has coordinates","185314","2020-10-21","18:00:00",""
"7039309","9.1669","0.0016","14.119","0.002","24.261","0.004","90","","90","","90","","3140","0.9","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 F6 Mn N5 O6 S2 -","- C25 H27 F6 Mn N5 O6 S2 -","- C100 H108 F24 Mn4 N20 O24 S8 -","4","1","","Du, Junyi; Xu, Daqian; Zhang, Chunxi; Xia, Chungu; Wang, Yong; Sun, Wei","Synthesis, characterization, and reactivity of a side-on manganese(iii)-peroxo complex bearing a pentadentate aminopyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","25","10131","10135","10.1039/c6dt00508j","","","0.71073","MoKα","","0.0578","0.0554","","","0.2052","0.2118","","","","","","1.005","","","","has coordinates","185370","2020-10-21","18:00:00",""
"7039362","9.4289","0.0002","10.5381","0.0002","16.9406","0.0003","90","","90","","90","","1683.26","0.06","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 O8 Pt S2 -","- C11 H22 O8 Pt S2 -","- C44 H88 O32 Pt4 S8 -","4","1","","Bergamini, Paola; Marvelli, Lorenza; Ferretti, Valeria; Gemmo, Chiara; Gambari, Roberto; Hushcha, Yekatsiaryna; Lampronti, Ilaria","Bis(dimethylsulfoxide)carbonateplatinum(ii), a new synthon for a low-impact, versatile synthetic route to anticancer Pt carboxylates.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10752","10760","10.1039/c6dt01689h","","","0.71073","MoKα","","0.037","0.0365","","","0.0984","0.0987","","","","","","1.111","","","","has coordinates","185336","2020-10-21","18:00:00",""
"7039368","10.0092","0.0004","22.1908","0.0009","23.6773","0.0009","90","","90","","90","","5259","0.4","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H73 Mg N3 O Si3 -","- C55 H73 Mg N3 O Si3 -","- C220 H292 Mg4 N12 O4 Si12 -","4","1","","Wang, Haobing; Guo, Jianshuang; Yang, Yang; Ma, Haiyan","Diastereoselective synthesis of chiral aminophenolate magnesium complexes and their application in the stereoselective polymerization of rac-lactide and rac-β-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10942","10953","10.1039/c6dt01126h","","","1.54178","CuKα","","0.1072","0.0626","","","0.1359","0.1605","","","","","","0.977","","","","has coordinates","185401","2020-10-21","18:00:00",""
"7039397","9.5212","0.0003","21.6705","0.0006","22.1659","0.0007","90","","90","","90","","4573.5","0.2","150","2","150","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C50 H44 Ag B F4 Fe2 N2 O2 P2 -","- C50 H44 Ag B F4 Fe2 N2 O2 P2 -","- C200 H176 Ag4 B4 F16 Fe8 N8 O8 P8 -","4","1","","Škoch, Karel; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art of improvisation in coordination.","Dalton transactions (Cambridge, England : 2003)","2016","45","26","10655","10671","10.1039/c6dt01843b","","","0.71073","MoKα","","0.0284","0.0252","","","0.054","0.0552","","","","","","1.03","","","","has coordinates","204132","2020-10-21","18:00:00",""
"7039493","10.9602","0.0007","18.5001","0.0012","20.826","0.0014","90","","90","","90","","4222.8","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H55 Cl2 Fe2 N7 O13 -","- C32 H55 Cl2 Fe2 N7 O13 -","- C128 H220 Cl8 Fe8 N28 O52 -","4","1","","Balamurugan, Mani; Suresh, Eringathodi; Palaniandavar, Mallayan","Non-heme μ-Oxo- and bis(μ-carboxylato)-bridged diiron(iii) complexes of a 3N ligand as catalysts for alkane hydroxylation: stereoelectronic factors of carboxylate bridges determine the catalytic efficiency.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11422","11436","10.1039/c6dt01059h","","","0.71073","MoKα","","0.0508","0.0456","","","0.1096","0.1143","","","","","","1.061","","","","has coordinates","185505","2020-10-21","18:00:00",""
"7039512","17.4889","0.0006","21.7538","0.0006","22.1728","0.0008","90","","90","","90","","8435.6","0.5","298","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H58 K2 La N10 P5 -","- C77 H58 K2 La N10 P5 -","- C308 H232 K8 La4 N40 P20 -","4","1","","Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11172","11181","10.1039/c6dt00696e","","x-ray","0.71073","MoKα","","0.1348","0.0865","","","0.2091","0.2453","","","","","","1.002","","","","has coordinates,has disorder","185408","2020-10-21","18:00:00",""
"7039513","17.4551","0.0002","21.7027","0.0003","22.1513","0.0003","90","","90","","90","","8391.42","0.19","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84 H66 K2 N10 P5 Sm -","- C84 H66 K2 N10 P5 Sm -","- C336 H264 K8 N40 P20 Sm4 -","4","1","","Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun","1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","11172","11181","10.1039/c6dt00696e","","x-ray","0.71073","MoKα","","0.0601","0.044","","","0.1253","0.1372","","","","","","1.098","","","","has coordinates","185408","2020-10-21","18:00:00",""
"7039536","15.152","0.002","15.861","0.002","19.966","0.002","90","","90","","90","","4798.3","1","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H70 N2 O5 W -","- C47 H70 N2 O5 W -","- C188 H280 N8 O20 W4 -","4","1","","Badetti, Elena; Romano, Francesco; Marchiò, Luciano; Taşkesenlioğlu, Sara; Daştan, Arif; Zonta, Cristiano; Licini, Giulia","Effective bromo and chloro peroxidation catalysed by tungsten(vi) amino triphenolate complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","37","14603","14608","10.1039/c6dt01780k","","","0.71073","MoKα","","0.0445","0.0353","","","0.077","0.0812","","","","","","1.007","","","","has coordinates,has disorder","187139","2020-10-21","18:00:00",""
"7039557","9.0445","0.0008","15.2792","0.0011","15.5861","0.0013","90","","90","","90","","2153.9","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 Li N4 -","- C21.997 H35 Li N4 -","- C87.988 H140 Li4 N16 -","4","1","","Greer, Jamie A.; Blair, Victoria L.; Thompson, Christopher D.; Andrews, Philip C.","Simplifying metal-'ate' chemistry: formation and comprehensive characterisation of a homo-metallic amido lithiate complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10887","10890","10.1039/c6dt01630h","","","0.71073","MoKα","","0.0434","0.0355","","","0.0821","0.0866","","","","","","1.041","","","","has coordinates,has disorder","185409","2020-10-21","18:00:00",""
"7039576","27.9485","0.0017","11.5046","0.0005","8.5689","0.0004","90","","90","","90","","2755.2","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 Cl2 Co N3 O2 -","- C24 H39 Cl2 Co N3 O2 -","- C96 H156 Cl8 Co4 N12 O8 -","4","1","","Deka, Hemanta; Ghosh, Somnath; Saha, Soumen; Gogoi, Kuldeep; Mondal, Biplab","Effect of ligand denticity on the nitric oxide reactivity of cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","27","10979","10988","10.1039/c6dt01169a","","","0.71073","MoKα","","0.0782","0.0581","","","0.1596","0.1795","","","","","","1.083","","","","has coordinates","185403","2020-10-21","18:00:00",""
"7039627","6.692","0.002","16.559","0.006","17.724","0.008","90","","90","","90","","1964","1.3","150","2","149.95","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H35 B N2 O2 -","- C21 H35 B N2 O2 -","- C84 H140 B4 N8 O8 -","4","1","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.0985","0.0554","","","0.0987","0.114","","","","","","0.9964","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039628","8.0304","0.0005","9.0974","0.0005","19.4205","0.0011","90","","90","","90","","1418.78","0.14","150","2","149.76","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 B N2 O2 -","- C13 H23 B N2 O2 -","- C52 H92 B4 N8 O8 -","4","1","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.0498","0.0378","","","0.0817","0.0875","","","","","","1.0359","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039631","11.2135","0.0005","13.8015","0.0006","16.3539","0.0008","90","","90","","90","","2531","0.2","150","2","150.05","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 B Cl N2 O2 -","- C25 H42 B Cl N2 O2 -","- C100 H168 B4 Cl4 N8 O8 -","4","1","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.0505","0.0393","","","0.0904","0.0963","","","","","","1.0246","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039632","10.088","0.0004","10.1235","0.0005","21.6378","0.001","90","","90","","90","","2209.78","0.17","150","2","150.01","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H39 B N2 O2 -","- C23 H39 B N2 O2 -","- C92 H156 B4 N8 O8 -","4","1","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.0388","0.0329","","","0.081","0.0861","","","","","","1.0868","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039633","11.8584","0.001","11.9181","0.001","16.5677","0.0014","90","","90","","90","","2341.5","0.3","150","","150.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 B F10 N2 -","- C23 H21 B F10 N2 -","- C92 H84 B4 F40 N8 -","4","1","","Lam, Jolie; Günther, Benjamin A R; Farrell, Jeffrey M.; Eisenberger, Patrick; Bestvater, Brian P.; Newman, Paul D.; Melen, Rebecca L.; Crudden, Cathleen M.; Stephan, Douglas W.","Chiral carbene-borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15303","","10.1039/c6dt02202b","","","0.71073","MoKα","","0.0317","0.0284","","","0.0756","0.0781","","","","","","1.0421","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7039635","16.976","0.003","17.78","0.003","20.404","0.004","90","","90","","90","","6158.6","1.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H88 K2 O7 Zr -","- C61 H88 K2 O7 Zr -","- C244 H352 K8 O28 Zr4 -","4","1","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","Synthesis and reactions of a zirconium naphthalene complex bearing a tetraanionic C-capped triaryloxide ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15879","15885","10.1039/c6dt01848c","","","0.71075","MoKα","","0.0623","0.0531","","","0.1166","0.1228","","","","","","1.117","","","","has coordinates,has disorder","188204","2020-10-21","18:00:00",""
"7039682","21.61588","0.00004","21.61899","0.00005","41.02783","0.00008","90","","90","","90","","19172.9","0.07","100.01","0.1","100.01","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H55 Cl F6 N2 O6.5 P S2 -","- C45 H55 Cl F6 N2 O6.5 P S2 -","- C720 H880 Cl16 F96 N32 O104 P16 S32 -","16","4","","Schwedtmann, Kai; Schoemaker, Robin; Hennersdorf, Felix; Bauzá, Antonio; Frontera, Antonio; Weiss, Robert; Weigand, Jan J.","Cationic 5-phosphonio-substituted N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11384","11396","10.1039/c6dt01871h","","x-ray","1.54184","CuKα","","0.0397","0.0397","","","0.1073","0.1073","","","","","","1.053","","","","has coordinates,has disorder","185501","2020-10-21","18:00:00",""
"7039689","11.454","0.0008","20.9192","0.0015","22.0993","0.0016","90","","90","","90","","5295.2","0.7","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 N O3 -","- C19 H29 N O3 -","- C228 H348 N12 O36 -","12","3","","Davidson, Ross; Hsu, Yu-Ting; Batchelor, Thomas; Yufit, Dmitry; Beeby, Andrew","The use of organolithium reagents for the synthesis of 4-aryl-2-phenylpyridines and their corresponding iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","28","11496","11507","10.1039/c6dt01461e","","x-ray","0.71073","MoKα","","0.0844","0.0539","","","0.1005","0.1112","","","","","","1.029","","","","has coordinates","185493","2020-10-21","18:00:00",""
"7039719","17.592","0.003","20.156","0.004","20.206","0.004","90","","90","","90","","7165","2","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 Li N4 Nd O -","- C36 H54 Li N4 Nd O -","- C288 H432 Li8 N32 Nd8 O8 -","8","2","","Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.","Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a ""giant neodymium wheel"".","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13332","13346","10.1039/c6dt01974a","","","0.71073","MoKα","","0.0641","0.0442","","","0.0771","0.0815","","","","","","0.917","","","","has coordinates","186399","2020-10-21","18:00:00",""
"7039738","13.4429","0.0002","19.5975","0.0003","21.9112","0.0004","90","","90","","90","","5772.45","0.16","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 N10 O3 Pb U -","- C52 H50 N10 O3 Pb U -","- C208 H200 N40 O12 Pb4 U4 -","4","1","","Bell, Nicola L.; Arnold, Polly L.; Love, Jason B.","Controlling uranyl oxo group interactions to group 14 elements using polypyrrolic Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15902","15909","10.1039/c6dt01948j","","x-ray","0.71073","MoKα","","0.0527","0.0388","","","0.0791","0.0851","","","","","","1.053","","","","has coordinates","188215","2020-10-21","18:00:00",""
"7039739","10.8424","0.0003","15.8907","0.0003","33.2881","0.0008","90","","90","","90","","5735.3","0.2","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 N10 O2 Pb U -","- C52 H50 N10 O2 Pb U -","- C208 H200 N40 O8 Pb4 U4 -","4","1","","Bell, Nicola L.; Arnold, Polly L.; Love, Jason B.","Controlling uranyl oxo group interactions to group 14 elements using polypyrrolic Schiff-base macrocyclic ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","40","15902","15909","10.1039/c6dt01948j","","x-ray","0.71073","MoKα","","0.1163","0.0828","","","0.1471","0.1576","","","","","","1.065","","","","has coordinates","188215","2020-10-21","18:00:00",""
"7039754","8.935","0.005","11.989","0.005","17.442","0.005","90","","90","","90","","1868.4","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 Cl3 N3 Zn -","- C19 H12 Cl3 N3 Zn -","- C76 H48 Cl12 N12 Zn4 -","4","1","","Dwivedi, Nidhi; Panja, Sumit Kumar; Monika, ?; Saha, Satyen; Sunkari, Sailaja S.","Anion directed structural diversity in zinc complexes with conformationally flexible quinazoline ligand: structural, spectral and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12053","12068","10.1039/c6dt02139e","","","0.71073","MoKα","","0.088","0.0565","","","0.1068","0.1272","","","","","","1.035","","","","has coordinates","185321","2020-10-21","18:00:00",""
"7039785","20.8411","0.0002","22.3516","0.0002","24.0111","0.0002","90","","90","","90","","11185.1","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H96 N28 Ni3 O24 W2 -","- C88 H74 N28 Ni3 O13 W2 -","- C352 H296 N112 Ni12 O52 W8 -","4","1","","Nowicka, Beata; Reczyński, Mateusz; Rams, Michał; Wasiutyński, Tadeusz; Nitek, Wojciech; Sieklucka, Barbara","Ligand dependent topology and spontaneous resolution in high-spin cyano-bridged Ni3W2 clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12423","12431","10.1039/c6dt02119k","","x-ray","1.54184","CuKα","","0.0528","0.0399","","","0.0839","0.0898","","","","","","0.981","","","","has coordinates","185459","2020-10-21","18:00:00",""
"7039787","20.844","0.005","22.424","0.005","24.033","0.005","90","0.005","90","0.005","90","0.005","11233","4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H96 N28 Ni3 O24 W2 -","- C88 H74 N28 Ni3 O13 W2 -","- C352 H296 N112 Ni12 O52 W8 -","4","1","","Nowicka, Beata; Reczyński, Mateusz; Rams, Michał; Wasiutyński, Tadeusz; Nitek, Wojciech; Sieklucka, Barbara","Ligand dependent topology and spontaneous resolution in high-spin cyano-bridged Ni3W2 clusters.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12423","12431","10.1039/c6dt02119k","","","0.71069","MoKα","","0.0564","0.0392","","","0.0855","0.0927","","","","","","1.029","","","","has coordinates","185459","2020-10-21","18:00:00",""
"7039808","8.8216","0.0018","10.705","0.002","36.624","0.007","90","","90","","90","","3458.6","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H30 Cd N6 O7 -","- C38 H30 Cd N6 O7 -","- C152 H120 Cd4 N24 O28 -","4","1","","Liu, Lei-Lei; Yu, Cai-Xia; Du, Ji-Min; Liu, Shi-Min; Cao, Jing-Shuai; Ma, Lu-Fang","Construction of five Zn(ii)/Cd(ii) coordination polymers derived from a new linear carboxylate/pyridyl ligand: design, synthesis, and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","31","12352","12361","10.1039/c6dt02312f","","","0.71073","MoKα","","0.0918","0.0493","","","0.0815","0.0956","","","","","","1.001","","","","has coordinates,has disorder","185471","2020-10-21","18:00:00",""
"7039821","8.1485","0.0006","14.5332","0.0012","15.436","0.0013","90","","90","","90","","1828","0.3","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Br2 N4 O2 -","- C16 H22 Br2 N4 O2 -","- C64 H88 Br8 N16 O8 -","4","1","","Wedlock, Louise E.; Barnard, Peter J.; Filipovska, Aleksandra; Skelton, Brian W.; Berners-Price, Susan J; Baker, Murray V.","Dinuclear Au(i) N-heterocyclic carbene complexes derived from unsymmetrical azolium cyclophane salts: potential probes for live cell imaging applications.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","12221","12236","10.1039/c6dt01409g","","","0.48595","synchrotron","","0.0329","0.0281","","","0.0618","0.0635","","","","","","1.028","","","","has coordinates","185328","2020-10-21","18:00:00",""
"7039875","12.8672","0.0005","14.8525","0.0005","19.3804","0.0007","90","","90","","90","","3703.8","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H72 N4 Na O2 Sc -","- C32 H72 N4 Na O2 Sc -","- C128 H288 N16 Na4 O8 Sc4 -","4","1","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.057","0.0402","","","0.08","0.0876","","","","","","1.019","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039878","13.1495","0.0009","15.1703","0.001","19.3237","0.0013","90","","90","","90","","3854.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H75 La N4 Na O2 -","- C32 H72 La N4 Na O2 -","- C128 H288 La4 N16 Na4 O8 -","4","1","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0336","0.0273","","","0.0548","0.0572","","","","","","0.981","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039880","13.0168","0.0002","15.0106","0.0003","19.3492","0.0004","90","","90","","90","","3780.64","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H72 N4 Na O2 Y -","- C32 H72 N4 Na O2 Y -","- C128 H288 N16 Na4 O8 Y4 -","4","1","","Spallek, Tatiana; Heß, Oliver; Meermann-Zimmermann, Melanie; Meermann, Christian; Klimpel, Michael G.; Estler, Frank; Schneider, David; Scherer, Wolfgang; Tafipolsky, Maxim; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Sirsch, Peter; Anwander, Reiner","Synthesis and structural diversity of trivalent rare-earth metal diisopropylamide complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13750","13765","10.1039/c6dt01568a","","","0.71073","MoKα","","0.0244","0.0215","","","0.0503","0.051","","","","","","1.004","","","","has coordinates,has disorder","186387","2020-10-21","18:00:00",""
"7039912","13.509","0.002","17.921","0.003","26.488","0.005","90","","90","","90","","6412.6","1.9","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28.5 H39 Co N5 O40.5 P W11 -","- C28.5 H31 Co N5 O40.5 P W11 -","- C114 H124 Co4 N20 O162 P4 W44 -","4","1","","Miao, Hao; Dong, Yayu; Chen, Ziwang; He, Xingxiang; Hu, Gonghao; Xu, Yan","Design, synthesis and excellent third-order NLO properties of two new polyoxometalates constructed from Keggin polyanions bonded by a solvent molecule.","Dalton transactions (Cambridge, England : 2003)","2016","45","32","12717","12722","10.1039/c6dt02320g","","","0.71073","MoKα","","0.0908","0.0534","","","0.1407","0.161","","","","","","1.048","","","","has coordinates,has disorder","186428","2020-10-21","18:00:00",""
"7039927","9.2819","0.0007","19.2352","0.0014","21.4352","0.0015","90","","90","","90","","3827","0.5","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 B2 F8 Fe N14 O3 -","- C34 H36 B2 F8 Fe N14 O3 -","- C136 H144 B8 F32 Fe4 N56 O12 -","4","1","","Huang, Wei; Shen, Fuxing; Zhang, Ming; Wu, Dayu; Pan, Feifei; Sato, Osamu","Room-temperature switching of magnetic hysteresis by reversible single-crystal-to-single-crystal solvent exchange in imidazole-inspired Fe(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14911","14918","10.1039/c6dt01777k","","","0.71073","MoKα","","0.09","0.0666","","","0.1676","0.1852","","","","","","1.157","","","","has coordinates","187056","2020-10-21","18:00:00",""
"7039929","9.322","0.0019","19.465","0.004","21.148","0.004","90","","90","","90","","3837.4","1.3","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 B2 F8 Fe N14 O5 -","- C30 H26 B2 F8 Fe N14 O5.05 -","- C120 H104 B8 F32 Fe4 N56 O20.2 -","4","1","","Huang, Wei; Shen, Fuxing; Zhang, Ming; Wu, Dayu; Pan, Feifei; Sato, Osamu","Room-temperature switching of magnetic hysteresis by reversible single-crystal-to-single-crystal solvent exchange in imidazole-inspired Fe(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14911","14918","10.1039/c6dt01777k","","","0.71073","MoKα","","0.0909","0.0707","","","0.1677","0.1853","","","","","","1.02","","","","has coordinates","187056","2020-10-21","18:00:00",""
"7039930","9.4524","0.0019","19.536","0.004","21.598","0.004","90","","90","","90","","3988.3","1.4","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 B2 F8 Fe N14 O5 -","- C30 H23 B2 F8 Fe N14 O4.45 -","- C120 H92 B8 F32 Fe4 N56 O17.8 -","4","1","","Huang, Wei; Shen, Fuxing; Zhang, Ming; Wu, Dayu; Pan, Feifei; Sato, Osamu","Room-temperature switching of magnetic hysteresis by reversible single-crystal-to-single-crystal solvent exchange in imidazole-inspired Fe(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","38","14911","14918","10.1039/c6dt01777k","","","0.71073","MoKα","","0.2754","0.085","","","0.1979","0.2313","","","","","","0.603","","","","has coordinates","187056","2020-10-21","18:00:00",""
"7040029","13.6455","0.0009","14.6229","0.0009","17.8347","0.0012","90","","90","","90","","3558.7","0.4","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl N2 O P Pd -","- C40 H38 Cl N2 O P Pd -","- C160 H152 Cl4 N8 O4 P4 Pd4 -","4","1","","Yang, Xiang-Yuan; Jia, Yu-Xiang; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Mechanistic insights into the role of PC- and PCP-type palladium catalysts in asymmetric hydrophosphination of activated alkenes incorporating potential coordinating heteroatoms.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13449","13455","10.1039/c6dt02588a","","","0.71073","MoKα","","0.0661","0.0409","","","0.0958","0.128","","","","","","1.058","","","","has coordinates","186416","2020-10-21","18:00:00",""
"7040030","6.2681","0.0005","16.6286","0.0015","21.762","0.003","90","","90","","90","","2268.2","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N O2 P S -","- C26 H22 N O2 P S -","- C104 H88 N4 O8 P4 S4 -","4","1","","Yang, Xiang-Yuan; Jia, Yu-Xiang; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Mechanistic insights into the role of PC- and PCP-type palladium catalysts in asymmetric hydrophosphination of activated alkenes incorporating potential coordinating heteroatoms.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13449","13455","10.1039/c6dt02588a","","","0.71073","MoKα","","0.1276","0.0699","","","0.1277","0.1597","","","","","","0.996","","","","has coordinates","186416","2020-10-21","18:00:00",""
"7040031","11.5111","0.0008","17.2089","0.0008","22.8522","0.0015","90","","90","","90","","4526.9","0.5","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N O2 P S -","- C26 H22 N O2 P S -","- C208 H176 N8 O16 P8 S8 -","8","2","","Yang, Xiang-Yuan; Jia, Yu-Xiang; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Mechanistic insights into the role of PC- and PCP-type palladium catalysts in asymmetric hydrophosphination of activated alkenes incorporating potential coordinating heteroatoms.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13449","13455","10.1039/c6dt02588a","","","0.71073","MoKα","","0.1557","0.0674","","","0.1127","0.1461","","","","","","0.947","","","","has coordinates","186416","2020-10-21","18:00:00",""
"7040042","14.4394","0.0011","24.988","0.0019","27.232","0.002","90","","90","","90","","9825.6","1.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C79 H101 F12 N11 O24 Rh4 S4 -","- C77 H86 F12 N10 O24 Rh4 S4 -","- C308 H344 F48 N40 O96 Rh16 S16 -","4","1","","Liu, Jing-Jing; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin","Self-assembled half-sandwich polyhedral cages via flexible Schiff-base ligands: an unusual macrocycle-to-cage conversion.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13675","13679","10.1039/c6dt02393b","","","0.71073","MoKα","","0.0777","0.0513","","","0.1173","0.1284","","","","","","0.984","","","","has coordinates","186377","2020-10-21","18:00:00",""
"7040090","9.0609","0.0004","12.3624","0.0005","22.9088","0.0009","90","","90","","90","","2566.12","0.18","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 F6 N O3 Rh S Sb -","- C21 H31 F6 N O3 Rh S Sb -","- C84 H124 F24 N4 O12 Rh4 S4 Sb4 -","4","1","","Carmona, María; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Osante, Iñaki; Cativiela, Carlos; López, José A; Carmona, Daniel","Half-sandwich complexes of rhodium containing cysteine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14203","14215","10.1039/c6dt02411d","","","0.71073","MoKα","","0.0317","0.0312","","","0.0743","0.0745","","","","","","1.055","","","","has coordinates,has disorder","187111","2020-10-21","18:00:00",""
"7040111","7.5563","0.0002","12.4423","0.0003","37.8037","0.0007","90","","90","","90","","3554.22","0.14","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","attenuatumione D","","- C39 H56 O7 -","- C39 H54 O7 -","- C156 H216 O28 -","4","1","","Amenuvor, Gershon; Obuah, Collins; Nordlander, Ebbe; Darkwa, James","Novel pyrazolylphosphite- and pyrazolylphosphinite-ruthenium(ii) complexes as catalysts for hydrogenation of acetophenone.","Dalton transactions (Cambridge, England : 2003)","2016","45","34","13514","13524","10.1039/c6dt02164f","","","1.54178","CuKα","","0.0816","0.0798","","","0.2163","0.2192","","","","","","1.044","","","","has coordinates","186409","2020-10-21","18:00:00",""
"7040119","11.657","0.001","16.049","0.001","17.402","0.001","90","","90","","90","","3255.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 Cd2 Cl2 N7 O10 -","- C24 H39 Cd2 Cl2 N7 O10 -","- C96 H156 Cd8 Cl8 N28 O40 -","4","1","","Zhao, Dan; Liu, Xiao-Hui; Shi, Zhuang-Zhi; Zhu, Chen-Dan; Zhao, Yue; Wang, Peng; Sun, Wei-Yin","Three powerful dinuclear metal-organic catalysts for converting CO2 into organic carbonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14184","14190","10.1039/c6dt02755e","","","0.71073","MoKα","","0.0736","0.0666","","","0.1795","0.1883","","","","","","1.076","","","","has coordinates,has disorder","187112","2020-10-21","18:00:00",""
"7040121","6.1207","0.0005","7.585","0.0006","16.9844","0.0014","90","","90","","90","","788.51","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","","Zhao, Dan; Liu, Xiao-Hui; Shi, Zhuang-Zhi; Zhu, Chen-Dan; Zhao, Yue; Wang, Peng; Sun, Wei-Yin","Three powerful dinuclear metal-organic catalysts for converting CO2 into organic carbonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14184","14190","10.1039/c6dt02755e","","","1.54178","CuKα","","0.0258","0.0255","","","0.0676","0.068","","","","","","1.079","","","","has coordinates","187112","2020-10-21","18:00:00",""
"7040122","6.1196","0.0004","7.5799","0.0005","16.9823","0.0012","90","","90","","90","","787.74","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 O3 -","- C9 H8 O3 -","- C36 H32 O12 -","4","1","","Zhao, Dan; Liu, Xiao-Hui; Shi, Zhuang-Zhi; Zhu, Chen-Dan; Zhao, Yue; Wang, Peng; Sun, Wei-Yin","Three powerful dinuclear metal-organic catalysts for converting CO2 into organic carbonates.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14184","14190","10.1039/c6dt02755e","","","1.54178","CuKα","","0.0263","0.0262","","","0.0667","0.0669","","","","","","1.065","","","","has coordinates","187112","2020-10-21","18:00:00",""
"7040131","13.9055","0.0003","15.3152","0.0003","17.314","0.0004","90","","90","","90","","3687.28","0.14","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 Al N2 O2 -","- C41 H49 Al N2 O2 -","- C164 H196 Al4 N8 O8 -","4","1","","Gianopoulos, Christopher G.; Kumar, Nishant; Zhao, Yihong; Jia, Li; Kirschbaum, Kristin; Mason, Mark R.","Aluminum alkoxide, amide and halide complexes supported by a bulky dipyrromethene ligand: synthesis, characterization, and preliminary ε-caprolactone polymerization activity.","Dalton transactions (Cambridge, England : 2003)","2016","45","35","13787","13797","10.1039/c6dt02449a","","","1.54178","CuKα","","0.0365","0.0331","","","0.0855","0.0879","","","","","","1.036","","","","has coordinates","186386","2020-10-21","18:00:00",""
"7040165","19.3746","0.0002","21.4307","0.0003","33.711","0.0004","90","","90","","90","","13997.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H103 Dy11 Ge12 N16 O81 -","- C77 H73 Dy11 Ge12 N16 O81 -","- C308 H292 Dy44 Ge48 N64 O324 -","4","1","","Li, Lei-Lei; Pan, Rui; Zhao, Jun-Wei; Yang, Bai-Feng; Yang, Guo-Yu","A series of lanthanide germanate cluster organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2016","45","30","11958","11967","10.1039/c6dt01629d","","","0.71073","MoKα","","0.0407","0.0354","","","0.0931","0.0964","","","","","","1.04","","","","has coordinates","185054","2020-10-21","18:00:00",""
"7040264","8.5977","0.0003","17.9211","0.0006","19.1642","0.0007","90","","90","","90","","2952.82","0.18","150","2","150.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 B N6 -","- C35 H33 B N6 -","- C140 H132 B4 N24 -","4","1","","Nair, Ashwin G.; McBurney, Roy T.; Walker, D. Barney; Page, Michael J.; Gatus, Mark R. D.; Bhadbhade, Mohan; Messerle, Barbara A.","Ruthenium(ii) complexes of hemilabile pincer ligands: synthesis and catalysing the transfer hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14335","14342","10.1039/c6dt02459a","","","0.71073","MoKα","","0.0484","0.0422","","","0.1004","0.1049","","","","","","1.043","","","","has coordinates","187114","2020-10-21","18:00:00",""
"7040340","13.2014","0.001","15.8615","0.0012","18.2144","0.0015","90","","90","","90","","3814","0.5","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H35 Cl2 Cu I O P3 -","- C43 H35 Cl2 Cu I O P3 -","- C172 H140 Cl8 Cu4 I4 O4 P12 -","4","1","","Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O.","Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14160","14173","10.1039/c6dt02435a","","","0.71073","MoKα","","0.0523","0.0373","","","0.0822","0.0879","","","","","","1.047","","","","has coordinates","187121","2020-10-21","18:00:00",""
"7040361","11.887","0.002","11.899","0.002","25.649","0.005","90","","90","","90","","3627.9","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H55 Cu P2 S2 -","- C37 H55 Cu P2 S2 -","- C148 H220 Cu4 P8 S8 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R.","Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14265","14276","10.1039/c6dt02709a","","","0.71073","MoKα","","0.0249","0.0245","","","0.057","0.0574","","","","","","1.063","","","","has coordinates","187118","2020-10-21","18:00:00",""
"7040392","12.5748","0.0006","13.2268","0.0006","23.0171","0.0011","90","","90","","90","","3828.3","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H37 F9 Ir N9 O3 -","- C35 H37 F9 Ir N9 O3 -","- C140 H148 F36 Ir4 N36 O12 -","4","1","","Kuei, Chu-Yun; Liu, Shih-Hung; Chou, Pi-Tai; Lee, Gene-Hsiang; Chi, Yun","Room temperature blue phosphorescence: a combined experimental and theoretical study on the bis-tridentate Ir(iii) metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15364","","10.1039/c6dt02611g","","","0.71073","MoKα","","0.0388","0.0339","","","0.0646","0.0662","","","","","","1.02","","","","has coordinates,has disorder","187096","2020-10-21","18:00:00",""
"7040393","12.9983","0.0005","14.3534","0.0005","20.2708","0.0008","90","","90","","90","","3781.9","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H37 Cl2 F5 Ir N7 -","- C38 H37 Cl2 F5 Ir N7 -","- C152 H148 Cl8 F20 Ir4 N28 -","4","1","","Kuei, Chu-Yun; Liu, Shih-Hung; Chou, Pi-Tai; Lee, Gene-Hsiang; Chi, Yun","Room temperature blue phosphorescence: a combined experimental and theoretical study on the bis-tridentate Ir(iii) metal complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15364","","10.1039/c6dt02611g","","","0.71073","MoKα","","0.0367","0.0316","","","0.0652","0.067","","","","","","1.017","","","","has coordinates,has disorder","187096","2020-10-21","18:00:00",""
"7040543","11.5492","0.00012","17.8123","0.00017","29.1165","0.0003","90","","90","","90","","5989.78","0.1","150.01","0.1","150.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C69 H51 Cl5 O4 P2 Pd -","- C69 H51 Cl5 O4 P2 Pd -","- C276 H204 Cl20 O16 P8 Pd4 -","4","1","","Fleming, James T.; Wills, Corinne; Waddell, Paul G.; Harrington, Ross W.; Higham, Lee J.","A comparison of MOP-phosphonite ligands and their applications in Rh(i)- and Pd(ii)-catalysed asymmetric transformations.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15660","15670","10.1039/c6dt02390h","","","1.54184","CuKα","","0.0289","0.0266","","","0.0627","0.0643","","","","","","1.048","","","","has coordinates","188128","2020-10-21","18:00:00",""
"7040547","14.775","0.005","18.811","0.005","19.639","0.006","90","","90","","90","","5458","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H75 Cl6 Cu3 N10 O7.5 -","- C41 H75 Cl6 Cu3 N10 O7.5 -","- C164 H300 Cl24 Cu12 N40 O30 -","4","1","","Löffler, Marta; Gregoliński, Janusz; Korabik, Maria; Lis, Tadeusz; Lisowski, Jerzy","Multinuclear Ni(ii), Cu(ii) and Zn(ii) complexes of chiral macrocyclic nonaazamine.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15586","15594","10.1039/c6dt02504h","","","0.71073","MoKα","","0.091","0.0595","","","0.0948","0.1082","","","","","","1.018","","","","has coordinates,has disorder","188130","2020-10-21","18:00:00",""
"7040548","13.592","0.005","15.27","0.007","24.284","0.012","90","","90","","90","","5040","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39.8 H70.6 Cl6 N9.4 Ni3 O6.2 -","- C39.8 H70.6 Cl6 N9.4 Ni3 O6.2 -","- C159.2 H282.4 Cl24 N37.6 Ni12 O24.8 -","4","1","","Löffler, Marta; Gregoliński, Janusz; Korabik, Maria; Lis, Tadeusz; Lisowski, Jerzy","Multinuclear Ni(ii), Cu(ii) and Zn(ii) complexes of chiral macrocyclic nonaazamine.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15586","15594","10.1039/c6dt02504h","","","0.71073","MoKα","","0.1728","0.0767","","","0.083","0.0943","","","","","","1","","","","has coordinates,has disorder","188130","2020-10-21","18:00:00",""
"7040578","11.249","0.002","11.476","0.002","28.3","0.005","90","","90","","90","","3653.3","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H38 Cl8 N6 O9 W3 -","- C16 H38 Cl8 N6 O9 W3 -","- C64 H152 Cl32 N24 O36 W12 -","4","1","","Bortoluzzi, Marco; Evangelisti, Claudio; Marchetti, Fabio; Pampaloni, Guido; Piccinelli, Fabio; Zacchini, Stefano","Synthesis of a highly reactive form of WO2Cl2, its conversion into nanocrystalline mono-hydrated WO3 and coordination compounds with tetramethylurea.","Dalton transactions (Cambridge, England : 2003)","2016","45","39","15342","","10.1039/c6dt02997c","","","0.71073","MoKα","","0.0406","0.0357","","","0.0707","0.0726","","","","","","1.048","","","","has coordinates","187103","2020-10-21","18:00:00",""
"7040673","7.2568","0.0015","12.253","0.003","15.227","0.003","90","","90","","90","","1353.9","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-naphthyltetrahydrotellurophenium bromide","","- C14 H15 Br Te -","- C14 H15 Br Te -","- C56 H60 Br4 Te4 -","4","1","","Poropudas, Merja J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Synthesis, characterization, and ligand behaviour of a new ditelluroether (C10H7)Te(CH2)4Te(C10H7) and the concurrently formed ionic [(C10H7)Te(CH2)4]Br.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17206","17215","10.1039/c6dt02599d","","","0.71073","MoKα","","0.0713","0.0457","","","0.0687","0.0763","","","","","","1.101","","","","has coordinates","188190","2020-10-21","18:00:00",""
"7040677","7.1073","0.0014","11.861","0.002","15.403","0.003","90","","90","","90","","1298.5","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-naphthyltetrahydrotellurophenium chloride","","- C14 H15 Cl Te -","- C14 H15 Cl Te -","- C56 H60 Cl4 Te4 -","4","1","","Poropudas, Merja J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Laitinen, Risto S.","Synthesis, characterization, and ligand behaviour of a new ditelluroether (C10H7)Te(CH2)4Te(C10H7) and the concurrently formed ionic [(C10H7)Te(CH2)4]Br.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17206","17215","10.1039/c6dt02599d","","","0.71073","MoKα","","0.055","0.0469","","","0.0979","0.104","","","","","","1.16","","","","has coordinates","188190","2020-10-21","18:00:00",""
"7040684","10.524","0.0014","15.865","0.002","19.108","0.003","90","","90","","90","","3190.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 N2 O4 P Rh -","- C31 H42 N2 O4 P Rh -","- C124 H168 N8 O16 P4 Rh4 -","4","1","","Iturmendi, Amaia; Sanz Miguel, Pablo J.; Popoola, Saheed A.; Al-Saadi, Abdulaziz A; Iglesias, Manuel; Oro, Luis A.","Dimethylphosphinate bridged binuclear Rh(i) catalysts for the alkoxycarbonylation of aromatic C-H bonds.","Dalton transactions (Cambridge, England : 2003)","2016","45","42","16955","16965","10.1039/c6dt03010f","","","0.71073","MoKα","","0.0293","0.0256","","","0.0585","0.0602","","","","","","1.026","","","","has coordinates","188242","2020-10-21","18:00:00",""
"7040803","4.8489","0.0011","9.475","0.002","10.518","0.002","90","","90","","90","","483.23","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H Cu N4 O2 -","- C2 H Cu N4 O2 -","- C8 H4 Cu4 N16 O8 -","4","1","","Qu, Xiaoni; Zhai, Lianjie; Wang, Bozhou; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli","Copper-based energetic MOFs with 3-nitro-1H-1,2,4-triazole: solvent-dependent syntheses, structures and energetic performances.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17304","17311","10.1039/c6dt03631g","","","0.71073","MoKα","","0.0372","0.0285","","","0.049","0.0514","","","","","","1.031","","","","has coordinates","188186","2020-10-21","18:00:00",""
"7040811","14.7396","0.0004","15.529","0.0005","23.447","0.0005","90","","90","","90","","5366.8","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H78 Br3 Fe N2 O P -","- C49 H78 Br3 Fe N2 O P -","- C196 H312 Br12 Fe4 N8 O4 P4 -","4","1","","Li, Zhuang; Liu, Ling; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(ii) complexes containing a phosphine ligand and an imidazolium cation.","Dalton transactions (Cambridge, England : 2003)","2016","45","44","17739","17747","10.1039/c6dt02995g","","","0.71073","MoKα","","0.0789","0.0444","","","0.0844","0.0965","","","","","","1.026","","","","has coordinates","190178","2020-10-21","18:00:00",""
"7040967","16.641","0.0011","18.9061","0.0013","46.041","0.003","90","","90","","90","","14485.3","1.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C142 H194 Cl Co3 Fe2 N25 O17 -","- C142 H168 Cl Co3 Fe2 N25 O17 -","- C568 H672 Cl4 Co12 Fe8 N100 O68 -","4","1","","Wei, Rong-Jia; Nakahara, Ryohei; Cameron, Jamie M.; Newton, Graham N.; Shiga, Takuya; Sagayama, Hajime; Kumai, Reiji; Murakami, Youichi; Oshio, Hiroki","Solvent-induced on/off switching of intramolecular electron transfer in a cyanide-bridged trigonal bipyramidal complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17104","17107","10.1039/c6dt03416k","","","0.71","MoKα","","0.1168","0.0803","","","0.1923","0.2157","","","","","","1.049","","","","has coordinates,has disorder","188180","2020-10-21","18:00:00",""
"7040968","17.278","0.002","18.94","0.002","48.462","0.006","90","","90","","90","","15859","3","300","2","300","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C142 H194 Cl Co3 Fe2 N25 O17 -","- C116 H104 Cl Co3 Fe2 N25 O4 -","- C464 H416 Cl4 Co12 Fe8 N100 O16 -","4","1","","Wei, Rong-Jia; Nakahara, Ryohei; Cameron, Jamie M.; Newton, Graham N.; Shiga, Takuya; Sagayama, Hajime; Kumai, Reiji; Murakami, Youichi; Oshio, Hiroki","Solvent-induced on/off switching of intramolecular electron transfer in a cyanide-bridged trigonal bipyramidal complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17104","17107","10.1039/c6dt03416k","","","0.71073","MoKα","","0.19","0.0741","","","0.1413","0.1579","","","","","","1.024","","","","has coordinates","188180","2020-10-21","18:00:00",""
"7040969","16.991","0.009","18.555","0.01","38.04","0.02","90","","90","","90","","11993","11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C126 H145 Cl Co3 Fe2 N25 O9 -","- C116 H115 Cl Co3 Fe2 N25 O4 -","- C464 H460 Cl4 Co12 Fe8 N100 O16 -","4","1","","Wei, Rong-Jia; Nakahara, Ryohei; Cameron, Jamie M.; Newton, Graham N.; Shiga, Takuya; Sagayama, Hajime; Kumai, Reiji; Murakami, Youichi; Oshio, Hiroki","Solvent-induced on/off switching of intramolecular electron transfer in a cyanide-bridged trigonal bipyramidal complex.","Dalton transactions (Cambridge, England : 2003)","2016","45","43","17104","17107","10.1039/c6dt03416k","","","0.71073","MoKα","","0.2033","0.1655","","","0.4035","0.4256","","","","","","1.036","","","","has coordinates","188180","2020-10-21","18:00:00",""
"7041102","5.6622","0.0004","10.2826","0.0007","16.2582","0.0018","90","","90","","90","","946.59","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,3,3-Trinitropropan-1-aminium nitrate","3,3,3-Trinitropropan-1-aminium nitrate","","- C3 H7 N5 O9 -","- C3 H7 N5 O9 -","- C12 H28 N20 O36 -","4","1","","Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C.","Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","18909","18920","10.1039/c6dt03779h","","","0.71073","MoKα","","0.0584","0.0424","","","0.0793","0.0883","","","","","","1.058","","","","has coordinates","190216","2020-10-21","18:00:00",""
"7041176","11.5226","0.0007","12.051","0.0006","19.2018","0.0009","90","","90","","90","","2666.3","0.2","200","2","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H37 Br2 Co N4 P -","- C22 H37 Br2 Co N4 P -","- C88 H148 Br8 Co4 N16 P4 -","4","1","","Gong, Dirong; Zhang, Xuequan; Huang, Kuo-Wei","Regio- and stereo-selective polymerization of 1,3-butadiene catalyzed by phosphorus-nitrogen PN(3)-pincer cobalt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19399","19407","10.1039/c6dt03722d","","","0.71073","MoKα","","0.0567","0.0442","","","0.0927","0.0991","","","","","","1.006","","","","has coordinates","190136","2020-10-21","18:00:00",""
"7041181","9.8067","0.0009","12.3224","0.0011","27.064","0.002","90","","90","","90","","3270.5","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 F4 Ir N3 O -","- C37 H26 F4 Ir N3 O -","- C148 H104 F16 Ir4 N12 O4 -","4","1","","Li, Tian-Yi; Zheng, You-Xuan; Zhou, Yong-Hui","Iridium(iii) phosphorescent complexes with dual stereogenic centers: single crystal, electronic circular dichroism evidence and circularly polarized luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19234","19237","10.1039/c6dt04030f","","","0.71073","MoKα","","0.0379","0.0328","","","0.0792","0.0812","","","","","","1.041","","","","has coordinates","190126","2020-10-21","18:00:00",""
"7041182","9.696","0.004","12.172","0.005","26.736","0.012","90","","90","","90","","3155","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H26 F4 Ir N3 O -","- C37 H26 F4 Ir N3 O -","- C148 H104 F16 Ir4 N12 O4 -","4","1","","Li, Tian-Yi; Zheng, You-Xuan; Zhou, Yong-Hui","Iridium(iii) phosphorescent complexes with dual stereogenic centers: single crystal, electronic circular dichroism evidence and circularly polarized luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2016","45","48","19234","19237","10.1039/c6dt04030f","","","0.71073","MoKα","","0.0665","0.0536","","","0.1354","0.1493","","","","","","1.088","","","","has coordinates","190126","2020-10-21","18:00:00",""
"7041221","11.8033","0.0003","16.02","0.0004","23.908","0.0006","90","","90","","90","","4520.7","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H42 N4 O4 Ti -","- C58 H42 N4 O4 Ti -","- C232 H168 N16 O16 Ti4 -","4","1","","Khalil, Georges; Orvain, Christophe; Fang, Lu; Barloy, Laurent; Chaumont, Alain; Gaiddon, Christian; Henry, Marc; Kyritsakas, Nathalie; Mobian, Pierre","Monomeric Ti(iv)-based complexes incorporating luminescent nitrogen ligands: synthesis, structural characterization, emission spectroscopy and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2016","45","47","19072","19085","10.1039/c6dt03477b","","","0.71073","MoKα","","0.0618","0.0402","","","0.082","0.0917","","","","","","1.027","","","","has coordinates","190199","2020-10-21","18:00:00",""
"7041235","8.9713","0.0007","10.3845","0.0008","27.663","0.002","90","","90","","90","","2577.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(diphenylphosphanyl)-1-{[2-(diphenylphosphanyl)-1H-imidazole]methyl}-1H-imidazole","","- C31 H26 N4 P2 -","- C31 H26 N4 P2 -","- C124 H104 N16 P8 -","4","1","","Bhat, Sajad A.; Pandey, Madhusudan K.; Mague, Joel T.; Balakrishna, Maravanji S.","Coordination of bis(azol-1-yl)methane-based bisphosphines towards Ru(II), Rh(I), Pd(II) and Pt(II): synthesis, structural and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2016","46","1","227","241","10.1039/c6dt04094b","","","0.71073","MoKα","","0.0353","0.0332","","","0.0828","0.0847","","","","","","1.048","","","","has coordinates","191676","2020-10-21","18:00:00",""
"7041308","9.0173","0.0004","10.3761","0.0005","35.6495","0.0016","90","","90","","90","","3335.5","0.3","110","","110","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 Ba F6 O12 S2 Si2 -","- C20 H32 Ba F6 O12 S2 Si2 -","- C80 H128 Ba4 F24 O48 S8 Si8 -","4","1","","Dankert, Fabian; Reuter, Kirsten; Donsbach, Carsten; von Hänisch, Carsten","A structural study of alkaline earth metal complexes with hybrid disila-crown ethers","Dalton Trans.","2017","","","","","10.1039/C6DT04018G","","","0.71073","MoKα","","0.0373","0.0274","","","0.0461","0.0481","","","","","","1.037","","","","has coordinates,has disorder","188799","2020-10-21","18:00:00",""
"7041314","13.1331","0.0016","19.104","0.002","24.643","0.002","90","","90","","90","","6182.8","1.1","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H76 N8 O16 Zn2 -","- C52 H76 N8 O16 Zn2 -","- C208 H304 N32 O64 Zn8 -","4","1","","Nicasio, Antonio I.; Montilla, Francisco; Álvarez, Eleuterio; Colodrero, Rosario P.; Galindo, Agustín","Synthesis and structural characterization of homochiral 2D coordination polymers of zinc and copper with conformationally flexible ditopic imidazolium-based dicarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","2","471","482","10.1039/c6dt03712g","","","0.71073","MoKα","","0.1014","0.0728","","","0.1634","0.2145","","","","","","1.038","","","","has coordinates","191598","2020-10-21","18:00:00",""
"7041506","8.613","0.0004","14.4059","0.0006","19.2824","0.0008","90","","90","","90","","2392.52","0.18","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 F6 Ir N O2 S Sb -","- C20 H27 F6 Ir N O2 S Sb -","- C80 H108 F24 Ir4 N4 O8 S4 Sb4 -","4","1","","Carmona, María; Rodríguez, Ricardo; Lahoz, Fernando J.; García-Orduña, Pilar; Cativiela, Carlos; López, José A; Carmona, Daniel","Half-sandwich complexes of iridium and ruthenium containing cysteine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","962","976","10.1039/c6dt04341k","","","0.71073","MoKα","","0.0139","0.0137","","","0.0336","0.0337","","","","","","1.114","","","","has coordinates","191639","2020-10-21","18:00:00",""
"7041531","6.41","0.003","7.512","0.003","22.879","0.01","90","","90","","90","","1101.7","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Cu F N3 O3 -","- C8 H8 Cu F N3 O3 -","- C32 H32 Cu4 F4 N12 O12 -","4","1","","Liu, Xiangyu; Li, Feifei; Ma, Xiaohui; Cen, Peipei; Luo, Shuchang; Shi, Quan; Ma, Shenru; Wu, Yuewei; Zhang, Chengcheng; Xu, Zhao; Song, Weiming; Xie, Gang; Chen, Sanping","Coligand modifications fine-tuned the structure and magnetic properties of two triple-bridged azido-Cu(ii) chain compounds exhibiting ferromagnetic ordering and slow relaxation.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1207","1217","10.1039/c6dt04108f","","","0.71073","MoKα","","0.0309","0.0248","","","0.0634","0.0663","","","","","","1.053","","","","has coordinates,has disorder","191620","2020-10-21","18:00:00",""
"7041598","10.62424","0.00009","10.81406","0.0001","25.3404","0.0002","90","","90","","90","","2911.39","0.04","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 Cl O11 P Pd -","- C28 H30 Cl O11 P Pd -","- C112 H120 Cl4 O44 P4 Pd4 -","4","1","","Li, Xi-Rui; Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Efficient access to a designed phosphapalladacycle catalyst via enantioselective catalytic asymmetric hydrophosphination.","Dalton transactions (Cambridge, England : 2003)","2017","46","4","1311","1316","10.1039/c6dt04447f","","","1.54178","CuKα","","0.0314","0.0308","","","0.0822","0.0826","","","","","","1.023","","","","has coordinates,has disorder","191602","2020-10-21","18:00:00",""
"7041634","8.56012","0.00016","8.59306","0.00018","21.6023","0.0005","90","","90","","90","","1589.01","0.06","99.9","0.3","99.9","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Bi F Si -","- C18 H12 Bi F Si -","- C72 H48 Bi4 F4 Si4 -","4","1","","Tomaschautzky, Janek; Neumann, Beate; Stammler, Hans-Georg; Mix, Andreas; Mitzel, Norbert W.","Tridentate Lewis-acids based on triphenylsilane.","Dalton transactions (Cambridge, England : 2003)","2017","46","5","1645","1659","10.1039/c6dt04293g","","x-ray","0.71073","MoKα","","0.0248","0.0229","","","0.0516","0.0528","","","","","","1.076","","","","has coordinates","191654","2020-10-21","18:00:00",""
"7041648","10.8901","0.0007","12.3059","0.0007","15.2966","0.001","90","","90","","90","","2049.9","0.2","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","chloro(perfluorophenyl)(3-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)- phenyl)hydroborate","","- C21 H24 B Cl F5 N -","- C21 H24 B Cl F5 N -","- C84 H96 B4 Cl4 F20 N4 -","4","1","","Chernichenko, K.; Kótai, B; Nieger, M.; Heikkinen, S.; Pápai, I; Repo, T.","Replacing C6F5 groups with Cl and H atoms in frustrated Lewis pairs: H2 additions and catalytic hydrogenations.","Dalton transactions (Cambridge, England : 2003)","2017","46","7","2263","2269","10.1039/c6dt04649e","","","0.71073","MoKα","","0.0356","0.0315","","","0.0824","0.0856","","","","","","1.062","","","","has coordinates","193818","2020-10-21","18:00:00",""
"7041688","10.497","0.0001","11.748","0.0001","30.043","0.0004","90","","90","","90","","3704.87","0.07","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H38 Fe N2 O P2 Pt -","- C45 H38 Fe N2 O P2 Pt -","- C180 H152 Fe4 N8 O4 P8 Pt4 -","4","1","","Shahsavari, Hamid R.; Fereidoonnezhad, Masood; Niazi, Maryam; Mosavi, S. Talaat; Habib Kazemi, Sayed; Kia, Reza; Shirkhan, Shima; Abdollahi Aghdam, Siamak; Raithby, Paul R.","Cyclometalated platinum(ii) complexes of 2,2'-bipyridine N-oxide containing a 1,1'-bis(diphenylphosphino)ferrocene ligand: structural, computational and electrochemical studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","6","2013","2022","10.1039/c6dt04085c","","","0.71073","MoKα","","0.0727","0.0466","","","0.0927","0.1033","","","","","","1.04","","","","has coordinates","193802","2020-10-21","18:00:00",""
"7041712","9.8509","0.0002","10.7911","0.0002","15.3736","0.0003","90","","90","","90","","1634.25","0.06","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Au Cl2 N4 O3 -","- C12 H19 Au Cl2 N4 O3 -","- C48 H76 Au4 Cl8 N16 O12 -","4","1","","Warżajtis, Beata; Glišić, Biljana Đ; Savić, Nada D; Pavic, Aleksandar; Vojnovic, Sandra; Veselinović, Aleksandar; Nikodinovic-Runic, Jasmina; Rychlewska, Urszula; Djuran, Miloš I","Mononuclear gold(iii) complexes with l-histidine-containing dipeptides: tuning the structural and biological properties by variation of the N-terminal amino acid and counter anion.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2594","2608","10.1039/c6dt04862e","","","0.71073","MoKα","","0.0209","0.019","","","0.0387","0.0394","","","","","","1.032","","","","has coordinates","193784","2020-10-21","18:00:00",""
"7041713","8.3519","0.0001","11.1268","0.0001","24.3707","0.0002","90","","90","","90","","2264.77","0.04","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 Au2 Cl5 N4 O4 -","- C12 H21 Au2 Cl5 N4 O4 -","- C48 H84 Au8 Cl20 N16 O16 -","4","1","","Warżajtis, Beata; Glišić, Biljana Đ; Savić, Nada D; Pavic, Aleksandar; Vojnovic, Sandra; Veselinović, Aleksandar; Nikodinovic-Runic, Jasmina; Rychlewska, Urszula; Djuran, Miloš I","Mononuclear gold(iii) complexes with l-histidine-containing dipeptides: tuning the structural and biological properties by variation of the N-terminal amino acid and counter anion.","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2594","2608","10.1039/c6dt04862e","","","0.71073","MoKα","","0.0193","0.0179","","","0.0401","0.0405","","","","","","1.049","","","","has coordinates","193784","2020-10-21","18:00:00",""
"7041790","6.6646","0.0003","12.9442","0.0004","23.1878","0.0007","90","","90","","90","","2000.36","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ni(II) carbazole Schiff-base macrocycle","","- C22 H26 N4 Ni O3 -","- C22 H26 N4 Ni O3 -","- C88 H104 N16 Ni4 O12 -","4","1","","Malthus, Stuart J.; Wilson, Rajni K.; Vikas Aggarwal, A.; Cameron, Scott A.; Larsen, David S.; Brooker, Sally","Carbazole-based N4-donor Schiff base macrocycles: obtained metal free and as Cu(ii) and Ni(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3141","3149","10.1039/c6dt04598g","","","1.54184","CuKα","","0.1005","0.0887","","","0.2532","0.2554","","","","","","1.228","","","","has coordinates,has disorder","195055","2020-10-21","18:00:00",""
"7041842","13.552","0.0007","14.8524","0.0006","18.5398","0.0008","90","","90","","90","","3731.7","0.3","150.1","","150.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H69 Cr2 N6 Na3 -","- C25 H69 Cr2 N6 Na3 -","- C100 H276 Cr8 N24 Na12 -","4","1","","Campbell, Ross; Kennedy, Alan R.; McLellan, Ross; Robertson, Stuart D.; Sproules, Stephen; Mulvey, Robert E.","Contrasting the group 6 metal-metal bonding in sodium dichromate(ii) and sodium dimolybdate(ii) polymethyl complexes: synthetic, X-ray crystallographic and theoretical studies.","Dalton transactions (Cambridge, England : 2003)","2017","46","17","5650","5659","10.1039/c6dt04644d","","","0.71073","MoKα","","0.0966","0.0551","","","0.0811","0.0942","","","","","","1.037","","","","has coordinates,has disorder","196392","2020-10-21","18:00:00",""
"7041915","11.0695","0.0003","15.2253","0.0004","16.104","0.0005","90","","90","","90","","2714.11","0.13","199.95","0.1","199.95","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 N4 Ni O3 -","- C27 H40 N4 Ni O3 -","- C108 H160 N16 Ni4 O12 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+) recognition by N,N'-benzylated bis(amino amides).","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2660","2669","10.1039/c6dt04756d","","","0.71073","MoKα","","0.0521","0.0392","","","0.0859","0.0947","","","","","","1.062","","","","has coordinates","193783","2020-10-21","18:00:00",""
"7041916","10.35136","0.0001","15.75766","0.00013","19.30342","0.00019","90","","90","","90","","3148.64","0.05","150","2","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 N4 Ni O4 -","- C35 H42 N4 Ni O4 -","- C140 H168 N16 Ni4 O16 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+) recognition by N,N'-benzylated bis(amino amides).","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2660","2669","10.1039/c6dt04756d","","x-ray","1.54184","CuKα","","0.0459","0.0377","","","0.0972","0.1021","","","","","","0.948","","","","has coordinates","193783","2020-10-21","18:00:00",""
"7041918","10.8225","0.0002","15.3302","0.0003","16.2148","0.0003","90","","90","","90","","2690.22","0.09","141","20","141","20","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 Cu N4 O3 -","- C27 H40 Cu N4 O3 -","- C108 H160 Cu4 N16 O12 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","Cu(2+) recognition by N,N'-benzylated bis(amino amides).","Dalton transactions (Cambridge, England : 2003)","2017","46","8","2660","2669","10.1039/c6dt04756d","","","0.71073","MoKα","","0.0408","0.034","","","0.07","0.0738","","","","","","1.095","","","","has coordinates,has disorder","193783","2020-10-21","18:00:00",""
"7041951","9.8772","0.0002","15.1645","0.0004","22.6936","0.0004","90","","90","","90","","3399.11","0.13","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(2-(pyridin-2-ylmethylene)-1-(4-(p-tolyl)-1,3-selenazol-2-yl)hydrazin-1- ide-cobalt(III) tetrafluoridoborate","","- C32 H26 B Co F4 N8 Se2 -","- C32 H26 B Co F4 N8 Se2 -","- C128 H104 B4 Co4 F16 N32 Se8 -","4","1","","Filipović, Nenad R; Elshaflu, Hana; Grubišić, Sonja; Jovanović, Ljiljana S; Rodić, Marko; Novaković, Irena; Malešević, Aleksandar; Djordjević, Ivana S; Li, Haidong; Šojić, Nešo; Marinković, Aleksandar; Todorović, Tamara R","Co(iii) complexes of (1,3-selenazol-2-yl)hydrazones and their sulphur analogues.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","2910","2924","10.1039/c6dt04785h","","x-ray","0.71073","MoKα","","0.0587","0.0379","","","0.0872","0.0956","","","","","","1.039","","","","has coordinates","193843","2020-10-21","18:00:00",""
"7042015","11.438","0.003","12.047","0.003","12.858","0.003","90","","90","","90","","1771.7","0.8","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Au Cl N P -","- C18 H16 Au Cl N P -","- C72 H64 Au4 Cl4 N4 P4 -","4","1","","Hobbollahi, Elnaz; List, Manuela; Hupp, Benjamin; Mohr, Fabian; Berger, Raphael J. F.; Steffen, Andreas; Monkowius, Uwe","Highly efficient cold-white light emission in a [Au2CuCl2(P∩N)2]PF6 type salt.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3438","3442","10.1039/c7dt00180k","","","0.71073","MoKα","","0.0478","0.0365","","","0.075","0.08","","","","","","0.933","","","","has coordinates","195097","2020-10-21","18:00:00",""
"7042104","10.4194","0.0003","10.4212","0.0004","14.712","0.0005","90","","90","","90","","1597.47","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","fac,cis-[RuII(CO)3Cl2(DMBI)]","","","- C12 H10 Cl2 N2 O3 Ru -","- C12 H10 Cl2 N2 O3 Ru -","- C48 H40 Cl8 N8 O12 Ru4 -","4","1","","Tamasi, Gabriella; Merlino, Antonello; Scaletti, Federica; Heffeter, Petra; Legin, Anton A.; Jakupec, Michael A.; Berger, Walter; Messori, Luigi; Keppler, Bernhard K.; Cini, Renzo","{Ru(CO)x}-Core complexes with benzimidazole ligands: synthesis, X-ray structure and evaluation of anticancer activity in vivo.","Dalton transactions (Cambridge, England : 2003)","2017","46","9","3025","3040","10.1039/c6dt04295c","","","0.71073","MoKα","","0.042","0.0295","","","0.0579","0.0605","","","","","","0.874","","","","has coordinates","193838","2020-10-21","18:00:00",""
"7042133","19.3042","0.0013","19.3039","0.0014","13.576","0.003","90","","90","","90","","5059","1.2","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24.5 H27 Bi Cr N2 O5 -","- C24.5 H27 Bi Cr N2 O5 -","- C196 H216 Bi8 Cr8 N16 O40 -","8","2","","Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor","A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3556","3568","10.1039/c7dt00095b","","","0.71073","MoKα","","0.0575","0.0365","","","0.0693","0.0833","","","","","","1.17","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7042135","19.4793","0.0016","19.4789","0.0013","13.5431","0.0016","90","","90","","90","","5138.7","0.8","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24.5 H27 Bi N2 O5 W -","- C24.5 H27 Bi N2 O5 W -","- C196 H216 Bi8 N16 O40 W8 -","8","2","","Vránová, Iva; Kremláček, Vít; Erben, Milan; Turek, Jan; Jambor, Roman; Růžička, Aleš; Alonso, Mercedes; Dostál, Libor","A comparative study of the structure and bonding in heavier pnictinidene complexes [(ArE)M(CO)n] (E = As, Sb and Bi; M = Cr, Mo, W and Fe).","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3556","3568","10.1039/c7dt00095b","","","0.71073","MoKα","","0.0524","0.045","","","0.1081","0.1176","","","","","","1.108","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7042158","14.1863","0.0009","16.4798","0.001","18.9462","0.0013","90","","90","","90","","4429.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H58 B2 N2 O4 -","- C51 H58 B2 N2 O4 -","- C204 H232 B8 N8 O16 -","4","1","","Eck, Martin; Würtemberger-Pietsch, Sabrina; Eichhorn, Antonius; Berthel, Johannes H. J.; Bertermann, Rüdiger; Paul, Ursula S. D.; Schneider, Heidi; Friedrich, Alexandra; Kleeberg, Christian; Radius, Udo; Marder, Todd B.","B-B bond activation and NHC ring-expansion reactions of diboron(4) compounds, and accurate molecular structures of B2(NMe2)4, B2eg2, B2neop2 and B2pin2.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3661","3680","10.1039/c7dt00334j","","","0.71073","MoKα","","0.033","0.0288","","","0.0667","0.069","","","","","","1.028","","","","has coordinates","195114","2020-10-21","18:00:00",""
"7042166","17.6291","0.0012","17.7256","0.0009","18.9464","0.0012","90","","90","","90","","5920.5","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H81 Cl2 Fe N9 O8 -","- C57 H81 Cl2 Fe N9 O8 -","- C228 H324 Cl8 Fe4 N36 O32 -","4","1","","Han, Wang-Kang; Li, Zhi-Hua; Zhu, Wei; Li, Tao; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo","Molecular isomerism induced Fe(ii) spin state difference based on the tautomerization of the 4(5)-methylimidazole group.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4218","4224","10.1039/c7dt00260b","","","0.71073","MoKα","","0.1663","0.0848","","","0.2014","0.2495","","","","","","1.186","","","","has coordinates,has disorder","195073","2020-10-21","18:00:00",""
"7042179","8.45114","0.00016","16.8793","0.0003","21.7282","0.0004","90","","90","","90","","3099.51","0.1","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H15 Fe3 O11 P -","- C31 H15 Fe3 O11 P -","- C124 H60 Fe12 O44 P4 -","4","1","","Rahaman, Ahibur; Gimbert-Suriñach, Carolina; Ficks, Arne; Ball, Graham E.; Bhadbhade, Mohan; Haukka, Matti; Higham, Lee; Nordlander, Ebbe; Colbran, Stephen B.","Bridgehead isomer effects in bis(phosphido)-bridged diiron hexacarbonyl proton reduction electrocatalysts.","Dalton transactions (Cambridge, England : 2003)","2017","46","10","3207","3222","10.1039/c6dt01494a","","","0.71073","MoKα","","0.0257","0.0224","","","0.0517","0.0533","","","","","","1.07","","","","has coordinates","195059","2020-10-21","18:00:00",""
"7042249","9.833","0.0012","10.037","0.0006","28.666","0.006","90","","90","","90","","2829.2","0.7","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 Al N O P -","- C30 H41 Al N O P -","- C120 H164 Al4 N4 O4 P4 -","4","1","","Zijlstra, Harmen S.; Pahl, Jürgen; Penafiel, Johanne; Harder, Sjoerd","""Masked"" Lewis-acidity of an aluminum α-phosphinoamide complex.","Dalton transactions (Cambridge, England : 2003)","2017","46","11","3601","3610","10.1039/c7dt00318h","","","0.71073","MoKα","","0.047","0.04","","","0.1012","0.1049","","","","","","1.129","","","","has coordinates","195103","2020-10-21","18:00:00",""
"7042298","7.844","0.002","10.872","0.002","34.637","0.008","90","","90","","90","","2953.8","1.2","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Cl3 N3 Ni O3 -","- C31 H30 Cl3 N3 Ni O3 -","- C124 H120 Cl12 N12 Ni4 O12 -","4","1","","Nian, Yong; Wang, Jiang; Moriwaki, Hiroki; Soloshonok, Vadim A.; Liu, Hong","Analysis of crystallographic structures of Ni(ii) complexes of α-amino acid Schiff bases: elucidation of the substituent effect on stereochemical preferences.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4191","4198","10.1039/c7dt00014f","","","0.71073","MoKα","","0.0739","0.0473","","","0.1008","0.1109","","","","","","1.023","","","","has coordinates","195069","2020-10-21","18:00:00",""
"7042301","9.7857","0.0008","9.8844","0.0008","25.741","0.002","90","","90","","90","","2489.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N3 Ni O3 -","- C28 H27 N3 Ni O3 -","- C112 H108 N12 Ni4 O12 -","4","1","","Nian, Yong; Wang, Jiang; Moriwaki, Hiroki; Soloshonok, Vadim A.; Liu, Hong","Analysis of crystallographic structures of Ni(ii) complexes of α-amino acid Schiff bases: elucidation of the substituent effect on stereochemical preferences.","Dalton transactions (Cambridge, England : 2003)","2017","46","13","4191","4198","10.1039/c7dt00014f","","","0.71073","MoKα","","0.0589","0.0505","","","0.1286","0.1348","","","","","","1.046","","","","has coordinates","195069","2020-10-21","18:00:00",""
"7042376","16.6181","0.0006","18.9494","0.0008","19.7553","0.0008","90","","90","","90","","6221","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H108 Ga4 N4 Si4 -","- C52 H108 Ga4 N4 Si4 -","- C208 H432 Ga16 N16 Si16 -","4","1","","Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C","Synthesis of heteroatomic bridged paracyclophanes.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4530","4541","10.1039/c7dt00321h","","","0.71073","MoKα","","0.044","0.0325","","","0.0771","0.081","","","","","","1.097","","","","has coordinates,has disorder","196439","2020-10-21","18:00:00",""
"7042428","9.3086","0.0004","21.1829","0.0008","21.456","0.0009","90","","90","","90","","4230.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H78 N22 O10 Zn2 -","- C96 H78 N22 O10 Zn2 -","- C192 H156 N44 O20 Zn4 -","2","0.5","","Shi, Zhenzhen; Qin, Ling; Zheng, Hegen","A second-order nonlinear optical material with a 5-fold interpenetrating diamondoid framework based on two achiral precursors: spontaneous resolution to absolute chiral induction.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4589","4594","10.1039/c7dt00614d","","","0.71073","MoKα","","0.0609","0.0482","","","0.1056","0.1101","","","","","","1.05","","","","has coordinates","196438","2020-10-21","18:00:00",""
"7042429","9.3272","0.001","21.377","0.002","21.377","","90","","90","","90","","4262.3","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H78 N22 O10 Zn2 -","- C96 H78 N22 O10 Zn2 -","- C192 H156 N44 O20 Zn4 -","2","0.5","","Shi, Zhenzhen; Qin, Ling; Zheng, Hegen","A second-order nonlinear optical material with a 5-fold interpenetrating diamondoid framework based on two achiral precursors: spontaneous resolution to absolute chiral induction.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4589","4594","10.1039/c7dt00614d","","","0.71073","MoKα","","0.0496","0.0414","","","0.0949","0.0985","","","","","","1.035","","","","has coordinates","196438","2020-10-21","18:00:00",""
"7042463","11.414","0.0011","16.1308","0.0013","21.261","0.002","90","","90","","90","","3914.5","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H68 B N3 Zr3 -","- C36 H68 B N3 Zr3 -","- C144 H272 B4 N12 Zr12 -","4","1","","Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos","Isolable zirconium hydride species in the reaction of amido complexes with amine-boranes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5138","5142","10.1039/c7dt00857k","","x-ray","0.71073","MoKα","","0.0856","0.052","","","0.0791","0.0902","","","","","","1.121","","","","has coordinates","196430","2020-10-21","18:00:00",""
"7042509","7.7212","0.0004","16.2457","0.001","23.8774","0.0013","90","","90","","90","","2995.1","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 Cd N3 Ni O8 S -","- C26 H35 Cd N3 Ni O8 S -","- C104 H140 Cd4 N12 Ni4 O32 S4 -","4","1","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Estimation of conventional C-Hπ (arene), unconventional C-Hπ (chelate) and C-Hπ (thiocyanate) interactions in hetero-nuclear nickel(ii)-cadmium(ii) complexes with a compartmental Schiff base.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5384","5397","10.1039/c6dt04906k","","","0.71073","MoKα","","0.0693","0.0595","","","0.1097","0.113","","","","","","1.149","","","","has coordinates,has disorder","196418","2020-10-21","18:00:00",""
"7042510","13.4856","0.001","13.731","0.0012","15.402","0.0009","90","","90","","90","","2852","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 Cd Cl N5 Ni O4 S -","- C25 H34 Cd Cl N5 Ni O4 S -","- C100 H136 Cd4 Cl4 N20 Ni4 O16 S4 -","4","1","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Estimation of conventional C-Hπ (arene), unconventional C-Hπ (chelate) and C-Hπ (thiocyanate) interactions in hetero-nuclear nickel(ii)-cadmium(ii) complexes with a compartmental Schiff base.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5384","5397","10.1039/c6dt04906k","","","0.71073","MoKα","","0.0768","0.0695","","","0.1763","0.1829","","","","","","1.099","","","","has coordinates","196418","2020-10-21","18:00:00",""
"7042511","12.8958","0.0005","15.5589","0.0004","16.5707","0.0005","90","","90","","90","","3324.82","0.18","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Cd Cl N5 Ni O6 S -","- C28 H38 Cd Cl N5 Ni O6 S -","- C112 H152 Cd4 Cl4 N20 Ni4 O24 S4 -","4","1","","Roy, Sourav; Drew, Michael G. B.; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Estimation of conventional C-Hπ (arene), unconventional C-Hπ (chelate) and C-Hπ (thiocyanate) interactions in hetero-nuclear nickel(ii)-cadmium(ii) complexes with a compartmental Schiff base.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5384","5397","10.1039/c6dt04906k","","","0.71073","MoKα","","0.045","0.0386","","","0.0788","0.0815","","","","","","1.054","","","","has coordinates","196418","2020-10-21","18:00:00",""
"7042515","20.9646","0.0005","22.0475","0.0005","31.1954","0.0007","90","","90","","90","","14419","0.6","147","2","147","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C158 H157 Fe2 N19 O24 -","- C158 H157 Fe2 N19 O24 -","- C632 H628 Fe8 N76 O96 -","4","1","","Ferranco, Annaleizle; Basak, Shibaji; Lough, Alan; Kraatz, Heinz-Bernhard","Metal coordination of ferrocene-histidine conjugates.","Dalton transactions (Cambridge, England : 2003)","2017","46","14","4844","4859","10.1039/c7dt00456g","","","1.54178","CuKα","","0.0586","0.0533","","","0.1422","0.1458","","","","","","1.032","","","","has coordinates,has disorder","196443","2020-10-21","18:00:00",""
"7042585","16.217","0.0001","17.9831","0.0001","19.6402","0.0001","90","","90","","90","","5727.71","0.06","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H47 Br Cu3 Mn O20 P2 -","- C57 H43 Br Cu3 Mn O20 P2 -","- C228 H172 Br4 Cu12 Mn4 O80 P8 -","4","1","","Gil-Hernández, B; Calahorro, A. J.; Gili, P.; Sanchiz, J.","Effect of the apical ligand on the geometry and magnetic properties of copper(ii)/mesoxalate trinuclear units.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5260","5268","10.1039/c7dt00594f","","","1.54184","CuKα","","0.0366","0.0354","","","0.0956","0.0968","","","","","","1.026","","","","has coordinates","196427","2020-10-21","18:00:00",""
"7042608","8.9995","0.0017","14.841","0.003","26.069","0.005","90","","90","","90","","3481.8","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cu N4 O2 -","- C40 H40 Cu N4 O2 -","- C160 H160 Cu4 N16 O8 -","4","1","","Paitandi, Rajendra Prasad; Singh, Roop Shikha; Mukhopadhyay, Sujay; Kumar, Ashish; Pandey, Daya Shankar","Spacer length dependent architectural diversity in bis-dipyrrin copper(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","16","5420","5430","10.1039/c7dt00107j","","","0.71073","MoKα","","0.3477","0.1298","","","0.146","0.1987","","","","","","1.063","","","","has coordinates","196423","2020-10-21","18:00:00",""
"7042610","12.5945","0.0017","13.796","0.002","19.569","0.003","90","","90","","90","","3400.2","0.9","98","2","98","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","compound1a_TMEDA","Lithium Methoxytris(dimethylphenylsilyl)borate","","- C31 H52 B Li N2 O Si3 -","- C31 H52 B Li N2 O Si3 -","- C124 H208 B4 Li4 N8 O4 Si12 -","4","1","","Tsurusaki, Akihiro; Yoshida, Keisuke; Kyushin, Soichiro","Synthesis and structures of lithium alkoxytris(dimethylphenylsilyl)borates","Dalton Trans.","2017","","","","","10.1039/C7DT00395A","","","0.71075","MoKα","","0.0507","0.0396","","","0.0841","0.0888","","","","","","1.05","","","","has coordinates,has disorder","194569","2020-10-21","18:00:00",""
"7042623","7.3324","0.0009","8.0016","0.001","11.8324","0.0015","90","","90","","90","","694.22","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O Se -","- C7 H5 N O Se -","- C28 H20 N4 O4 Se4 -","4","1","","Ho, Peter Cheng-Wei; Rafique, Jamal; Lee, Jiwon; Lee, Myongwon Lucia; Jenkins, Hilary A.; Britten, James F.; Braga, Antonio Luiz; Vargas-Baca, Ignacio","Synthesis and Structural Characterisation of the Aggregates of Benzo-1,2-Chalcogenazole 2-Oxides","Dalton Trans.","2017","","","","","10.1039/C7DT00612H","","","0.71073","MoKα","","0.04","0.0351","","","0.0859","0.0876","","","","","","1.059","","","","has coordinates","194716","2020-10-21","18:00:00",""
"7042626","8.833","0.0008","15.6509","0.0015","21.6876","0.0017","90","","90","","90","","2998.2","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","complex of tris(2-pyridyl)phosphine with nickel hexafluoroacetylacetonate","","- C25 H16 F12 N3 Ni O6 P -","- C25 H16 F12 N3 Ni O6 P -","- C100 H64 F48 N12 Ni4 O24 P4 -","4","1","","Artem'ev, Alexander; Kashevskii, Alexey; Bogomyakov, Artem Stepanovich; Safronov, Alexander; Sutyrina, Anastasiya Sutyrina; Telezhkin, Anton; Sterkhova, Irina","Variable coordination of tris(2-pyridyl)phosphine and its oxide toward M(hfac)2: a metal-specifiable switching between the formation of mono- and bis-scorpionate complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00339K","","","0.71073","MoKα","","0.047","0.0348","","","0.0707","0.0746","","","","","","1.049","","","","has coordinates,has disorder","194718","2020-10-21","18:00:00",""
"7042818","10.878","0.0002","17.5543","0.0004","20.7334","0.0005","90","","90","","90","","3959.16","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 B Fe2 P2 Sn -","- C46 H45 B Fe2 P2 Sn -","- C184 H180 B4 Fe8 P8 Sn4 -","4","1","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, F.","Planar-chiral ferrocenylphosphine-borane complexes featuring agostic-type B‒H⋯E (E = Hg, Sn) interactions","Dalton Trans.","2017","","","","","10.1039/C6DT04791B","","","1.54178","CuKα","","0.0223","0.0207","","","0.0432","0.0435","","","","","","0.983","","","","has coordinates","195797","2020-10-21","18:00:00",""
"7042819","7.3385","0.0002","16.5867","0.0004","19.1137","0.0005","90","","90","","90","","2326.55","0.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 B Cl Fe P Sn -","- C24 H27 B Cl Fe P Sn -","- C96 H108 B4 Cl4 Fe4 P4 Sn4 -","4","1","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, F.","Planar-chiral ferrocenylphosphine-borane complexes featuring agostic-type B‒H⋯E (E = Hg, Sn) interactions","Dalton Trans.","2017","","","","","10.1039/C6DT04791B","","","1.54178","CuKα","","0.0185","0.0178","","","0.0384","0.0385","","","","","","1.03","","","","has coordinates","195797","2020-10-21","18:00:00",""
"7042820","7.4543","0.0002","16.4141","0.0004","19.3128","0.0004","90","","90","","90","","2363.03","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 B Fe P Sn -","- C25 H30 B Fe P Sn -","- C100 H120 B4 Fe4 P4 Sn4 -","4","1","","Tagne Kuate, Alain C.; Lalancette, Roger A.; Jäkle, F.","Planar-chiral ferrocenylphosphine-borane complexes featuring agostic-type B‒H⋯E (E = Hg, Sn) interactions","Dalton Trans.","2017","","","","","10.1039/C6DT04791B","","","1.54178","CuKα","","0.0167","0.0162","","","0.04","0.0402","","","","","","1.048","","","","has coordinates","195797","2020-10-21","18:00:00",""
"7042833","14.0128","0.0009","15.5058","0.001","20.1206","0.0013","90","","90","","90","","4371.8","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H40 B Fe N O P2 -","- C17 H40 B Fe N O P2 -","- C136 H320 B8 Fe8 N8 O8 P16 -","8","2","","Anke, Felix; Han, Delong; Klahn, Marcus; Spannenberg, Anke; Beweries, Torsten","Formation of high-molecular weight polyaminoborane by Fe hydride catalysed dehydrocoupling of methylamine borane","Dalton Trans.","2017","","","","","10.1039/C7DT01487B","","","0.71073","MoKα","","0.0252","0.0225","","","0.0551","0.0567","","","","","","1.015","","","","has coordinates","195841","2020-10-21","18:00:00",""
"7042864","12.9715","0.0003","13.7519","0.0004","20.3281","0.0006","90","","90","","90","","3626.18","0.17","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Au F6 Fe P2 S3 -","- C32 H38 Au F6 Fe P2 S3 -","- C128 H152 Au4 F24 Fe4 P8 S12 -","4","1","","Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu","Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT00719A","","","0.71073","MoKα","","0.0404","0.0313","","","0.0719","0.0754","","","","","","0.984","","","","has coordinates","195903","2020-10-21","18:00:00",""
"7042876","11.8251","0.0002","11.9313","0.0003","32.6567","0.0008","90","","90","","90","","4607.5","0.18","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H80 K2 N6 Si4 -","- C32 H80 K2 N6 Si4 -","- C128 H320 K8 N24 Si16 -","4","1","","Ojeda-Amador, Ana I.; Martínez-Martínez, Antonio J.; Robertson, Gemma M.; Robertson, Stuart D.; Kennedy, Alan R.; O'Hara, Charles T.","Exploring the solid state and solution structural chemistry of the utility amide potassium hexamethyldisilazide (KHMDS)","Dalton Trans.","2017","","","","","10.1039/C7DT01118K","","","0.71073","MoKα","","0.0411","0.0368","","","0.0753","0.0771","","","","","","1.099","","","","has coordinates","195953","2020-10-21","18:00:00",""
"7042930","13.3","0.003","18.907","0.004","19.051","0.004","90","","90","","90","","4790.6","1.8","150","2","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C87 H104 Cl4 Cu2 N15 O24 -","- C87 H104 Cl4 Cu2 N15 O24 -","- C174 H208 Cl8 Cu4 N30 O48 -","2","0.5","","Ghosh, Pradyut; Nandi, Mandira; Santra, Saikat; Akhuli, Bidyut","Threading of various ‘U’ shaped bidentate axles into a heteroditopic macrocyclic wheel via NiII/ CuII templation","Dalton Trans.","2017","","","","","10.1039/C7DT00699C","","","0.71073","MoKα","","0.0556","0.049","","","0.1178","0.1215","","","","","","1.079","","","","has coordinates,has disorder","196570","2020-10-21","18:00:00",""
"7042938","15.214","0.005","17.476","0.005","24.498","0.005","90","","90","","90","","6514","3","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49.5 H48.5 Cd2 N9.5 O13.5 -","- C42 H27 Cd2 N6 O8 -","- C168 H108 Cd8 N24 O32 -","4","1","","Yang, Liu; Cao, Li; Li, Xiao; Qin, Chao; Zhao, Liang; Shao, Kui-Zhan; Su, Zhong-Min","Metal‒organic frameworks constructed from tib and carboxylate acid ligands: selective sensing of nitro explosives and magnetic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01306J","","","0.71069","MoKα","","0.0438","0.0372","","","0.0854","0.0878","","","","","","0.985","","","","has coordinates","196607","2020-10-21","18:00:00",""
"7042947","4.9167","0.0002","8.8988","0.0006","9.4929","0.0006","90","","90","","90","","415.34","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ba Cu F O4 P -","- Ba Cu F O4 P -","- Ba4 Cu4 F4 O16 P4 -","4","1","","Qiu, Chaoqun; He, Zhangzhen; Cui, Meiyan; Chen, Sihuai","Synthesis and magnetic properties of two isostructural fluorophosphates BaMPO4F (M = Cu, Co) with a tunnel structure","Dalton Trans.","2017","","","","","10.1039/C7DT01408B","","","0.71073","MoKα","","0.0255","0.0251","","","0.0645","0.0646","","","","","","1.184","","","","has coordinates","196720","2020-10-21","18:00:00",""
"7042978","7.8347","0.0004","13.3996","0.0009","14.0216","0.0013","90","","90","","90","","1472.01","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H9 B Cu2 K O14.5 -","- C8 H8 B Cu2 K O14.5 -","- C32 H32 B4 Cu8 K4 O58 -","4","1","","Yan, Dong; Mao, Feifei; Ruan, Ting Ting; Mao, Jianggao","Two Tartratoborates with Hybrid Anionic Groups from Unusual Condensation Reactions","Dalton Trans.","2017","","","","","10.1039/C7DT01360D","","","0.71073","MoKα","","0.0462","0.0378","","","0.0796","0.0847","","","","","","1.039","","","","has coordinates","196728","2020-10-21","18:00:00",""
"7043007","8.291","0.001","10.275","0.001","15.137","0.001","90","","90","","90","","1289.5","0.2","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(hapto6-fluorene)tricarbonylchromium","","- C16 H10 Cr O3 -","- C16 H10 Cr O3 -","- C64 H40 Cr4 O12 -","4","1","","Werlé, C; DOHM, Sebastian; Bailly, Corinne; Karmazin, Lydia; Ricard, Louis; Sieffert, Nicolas; pfeffer, michel; Hansen, Andreas; Grimme, Stefan; Djukic, Jean-Pierre","Trans-Cis C-Pd-C Rearrangement in Hemichelates","Dalton Trans.","2017","","","","","10.1039/C7DT00872D","","","0.71069","MoKα","","0.043","0.0387","","","0.0906","0.0946","","","","","","1.037","","","","has coordinates","196777","2020-10-21","18:00:00",""
"7043059","14.281","0.003","14.491","0.003","27.124","0.005","90","","90","","90","","5613","2","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H88 Mo N2 O S4 -","- C56 H88 Mo N2 O S4 -","- C224 H352 Mo4 N8 O4 S16 -","4","1","","Ghosh, Ashta Chandra; Samuel, Prinson P.; Schulzke, Carola","Synthesis, characterization and oxygen atom transfer reactivity of a pair of Mo(IV)O- and Mo(VI)O2-enedithiolate complexes ‒ a look at both ends of the catalytic transformation","Dalton Trans.","2017","","","","","10.1039/C7DT01470H","","","0.71073","MoKα","","0.0362","0.0305","","","0.069","0.0706","","","","","","1.01","","","","has coordinates","196891","2020-10-21","18:00:00",""
"7043067","11.4411","0.0006","13.894","0.0009","16.9772","0.0009","90","","90","","90","","2698.7","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H44 Fe Ge O Si3 -","- C21 H44 Fe Ge O Si3 -","- C84 H176 Fe4 Ge4 O4 Si12 -","4","1","","Dhungana, Tara Prasad; Hashimoto, Hisako; Tobita, Hiromi","An Iron Germylene Complex Having Fe-H and Ge-H Bonds: Synthesis, Structure and Reactivity","Dalton Trans.","2017","","","","","10.1039/C7DT01159H","","","0.71073","MoKα","","0.0519","0.0462","","","0.0997","0.1024","","","","","","1.081","","","","has coordinates","196920","2020-10-21","18:00:00",""
"7043216","10.6835","0.0018","17.274","0.003","17.745","0.003","90","","90","","90","","3274.8","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H56 N6 Si4 Sr -","- C21 H56 N6 Si4 Sr -","- C84 H224 N24 Si16 Sr4 -","4","1","","Mukherjee, Debabrata; Shirase, Satoru; Beckerle, Klaus; Spaniol, Thomas Paul; Mashima, Kazushi; Okuda, Jun","Group 2 metal (Mg, Ca, Sr) silylamides supported by a cyclen-derived macrocyclic polyamine","Dalton Trans.","2017","","","","","10.1039/C7DT01727H","","","0.71073","MoKα","","0.0894","0.0572","","","0.1131","0.1262","","","","","","0.928","","","","has coordinates","197193","2020-10-21","18:00:00",""
"7043228","12.4958","0.0003","13.7745","0.0003","14.0233","0.0003","90","","90","","90","","2413.74","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","SnFeSeCN","","","- C8 Fe N5 Se7 Sn3 -","- C8 Fe N5 Se7 Sn3 -","- C32 Fe4 N20 Se28 Sn12 -","4","1","","Hu, Dandan; Zhang, Yingying; Yang, Huajun; Lin, Jian; Wu, Tao","Structural transformation of selenidostannates from 1D to 0D and 2D via a stepwise amine-templated assembly strategy","Dalton Trans.","2017","","","","","10.1039/C7DT01546A","","","0.71073","MoKα","","0.0474","0.0434","","","0.0998","0.1025","","","","","","1.064","","","","has coordinates","197196","2020-10-21","18:00:00",""
"7043291","10.5244","0.0019","18.501","0.003","19.839","0.004","90","","90","","90","","3862.9","1.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H50 N2 Ni O2 -","- C42 H50 N2 Ni O2 -","- C168 H200 N8 Ni4 O8 -","4","1","","Yang, Hong; Zhao, Yanxia; Liu, Bin; Su, Ji-Hu; Fedushkin, Igor L.; Wu, Biao; Yang, Xiao-Juan","Noninnocent ligands: heteroleptic nickel complexes with α-diimine and 1,2-diketone derivatives","Dalton Trans.","2017","","","","","10.1039/C7DT00455A","","","0.71073","MoKα","","0.053","0.0373","","","0.0894","0.0981","","","","","","0.973","","","","has coordinates","197730","2020-10-21","18:00:00",""
"7043296","12.61584","0.00009","14.38916","0.0001","18.04782","0.00013","90","","90","","90","","3276.24","0.04","302.3","0.9","302.3","0.9","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Cl3 N2 O P2 Re -","- C32 H38 Cl3 N2 O P2 Re -","- C128 H152 Cl12 N8 O4 P8 Re4 -","4","1","","Salvarese, Nicola; Refosco, Fiorenzo; Seraglia, Roberta; Roverso, Marco; Dolmella, Alessandro; Bolzati, Cristina","Synthesis and Characterization of Rhenium(III) Complexes with (Ph2PCH2CH2)2NR Diphosphinoamine Ligands","Dalton Trans.","2017","","","","","10.1039/C7DT01032J","","","0.7107","MoKα","","0.021","0.0181","","","0.038","0.0392","","","","","","1.079","","","","has coordinates,has disorder","197756","2020-10-21","18:00:00",""
"7043315","8.6029","0.0002","15.2183","0.0003","20.4343","0.0004","90","","90","","90","","2675.29","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H27 N2 O2 P -","- C34 H27 N2 O2 P -","- C136 H108 N8 O8 P4 -","4","1","","Polyancev, Fedor M.; Metlushka, Kirill E.; Sadkova, Dilyara N.; Khisametdinova, Zilya R.; Kataeva, Olga N.; Alfonsov, Vladimir A.; Latypov, Shamil K.; Sinyashin, Oleg G.","The isomeric structure of pentacoordinate chiral spirophosphoranes in solution by the combined use of NMR experiments and GIAO DFT calculations of NMR parameters","Dalton Trans.","2017","","","","","10.1039/C7DT01605K","","","0.71073","MoKα","","0.0491","0.0406","","","0.0941","0.0976","","","","","","0.996","","","","has coordinates","197792","2020-10-21","18:00:00",""
"7043441","13.9262","0.0003","14.1295","0.0003","19.6116","0.0003","90","","90","","90","","3858.98","0.13","133","2","133","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 Br2 Cl4 Fe2 N O8 S2 -","- C32 H23 Br2 Cl4 Fe2 N O8 S2 -","- C128 H92 Br8 Cl16 Fe8 N4 O32 S8 -","4","1","","Weigand, Wolfgang; Abul-Futouh, Hassan; Zagranyarski, Yulian; Müller, Carolin; Schulz, Martin; Kupfer, Stephan; Görls, Helmar; El-khateeb, Mohammad Yaseen; Gräfe, Stefanie; Dietzek, Benjamin; Peneva, Kalina","[FeFe]-Hydrogenase H-Cluster Mimics Mediated by Naphthalene Monoimide Derivatives of Peri-Substituted Dichalcogenides","Dalton Trans.","2017","","","","","10.1039/C7DT02079A","","","0.71073","MoKα","","0.0633","0.0523","","","0.1092","0.1156","","","","","","1.092","","","","has coordinates,has disorder","198155","2020-10-21","18:00:00",""
"7043475","12.8591","0.0002","14.0203","0.0002","22.3536","0.0004","90","","90","","90","","4030.1","0.11","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 F18 Ga N8 P3 -","- C34 H28 F18 Ga N8 P3 -","- C136 H112 F72 Ga4 N32 P12 -","4","1","","Zare, Davood; Doistau, Benjamin; Nozary, Homayoun; Besnard, Céline; Guénée, Laure; Suffren, Yan; Pelé, Anne-Laure; Hauser, Andreas; Piguet, Claude","CrIII as an alternative to RuII in metallo-supramolecular chemistry","Dalton Trans.","2017","","","","","10.1039/C7DT01747B","","","1.54184","CuKα","","0.0419","0.0413","","","0.109","0.1098","","","","","","1.047","","","","has coordinates,has disorder","198191","2020-10-21","18:00:00",""
"7043492","9.997","0.002","12.56","0.003","28.755","0.006","90","","90","","90","","3610.5","1.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H58 Cl N2 O3 V -","- C37 H58 Cl N2 O3 V -","- C148 H232 Cl4 N8 O12 V4 -","4","1","","Barroso, Sonia; Coelho, Ana M.; Adão, Pedro; Calhorda, Maria Jose; Martins, Ana M.","Radical reactions of diamine bis(phenolate) vanadium(III) complexes. Solid state binding of O2 to form a vanadium(V) peroxo complex","Dalton Trans.","2017","","","","","10.1039/C7DT01699A","","x-ray","0.71073","MoKα","","0.1292","0.0546","","","0.0848","0.0978","","","","","","0.934","","","","has coordinates","198298","2020-10-21","18:00:00",""
"7043504","9.5946","0.001","18.9239","0.0012","22.0437","0.0017","90","","90","","90","","4002.4","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H56 Br2 F N5 O2 -","- C38 H56 Br2 F N5 O2 -","- C152 H224 Br8 F4 N20 O8 -","4","1","","Manna, Utsab; Kayal, Santanu; Samanta, Soham; Das, Gopal","Fixation of Atmospheric CO2 as Novel Carbonate-(Water)2-Carbonate Cluster and Entrapment of Double Sulfate Within Linear Tetrameric Barrel of Neutral Bis-Urea Scaffold","Dalton Trans.","2017","","","","","10.1039/C7DT01697B","","","0.71073","MoKα","","0.1951","0.0808","","","0.1491","0.2026","","","","","","0.964","","","","has coordinates","198302","2020-10-21","18:00:00",""
"7043544","28.0308","0.001","36.9998","0.0013","15.5102","0.0005","90","","90","","90","","16086.2","1","150","2","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","D-bpy","4","","- C64 H124 N6 O63 P2 V3 W15 -","- C64 H124 N6 O63 P2 V3 W15 -","- C256 H496 N24 O252 P8 V12 W60 -","4","1","","Auvray, Thomas; Santoni, Marie-Pierre; Hasenknopf, Bernold; Hanan, Garry","Covalent hybrids based on Re(I) tricarbonyl complexes and polypyridine-functionalized polyoxometalate: synthesis, characterization and electronic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01674C","","","1.34139","GaKα","","0.0726","0.0652","","","0.1782","0.1867","","","","","","1.059","","","","has coordinates","198576","2020-10-21","18:00:00",""
"7043636","8.901","0.0018","16.812","0.004","20.543","0.004","90","","90","","90","","3074.1","1.1","113","2","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 I2 N Ni P2 -","- C32 H29 I2 N Ni P2 -","- C128 H116 I8 N4 Ni4 P8 -","4","1","","Song, Li-Cheng; Han, Xiao-Feng; Chen, Wei; Li, Jia-Peng; Wang, Xu-Yong","Dithiolato- and halogenido-bridged nickel-iron complexes related to the active site of [NiFe]-H2ases: preparation, structures, and electrocatalytic H2 production","Dalton Trans.","2017","","","","","10.1039/C7DT02203D","","","0.71073","MoKα","","0.0232","0.0201","","","0.0389","0.0393","","","","","","0.878","","","","has coordinates","198743","2020-10-21","18:00:00",""
"7043651","7.8618","0.0007","13.0402","0.0011","19.3301","0.0015","90","","90","","90","","1981.7","0.3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 B F4 Fe N3 O3 S -","- C17 H14 B F4 Fe N3 O3 S -","- C68 H56 B4 F16 Fe4 N12 O12 S4 -","4","1","","Xie, Zhu-Lin; Durgaprasad, Gummadi; Ali, Azim K.; Rose, Michael J.","Substitution reactions of iron(ii) carbamoyl-thioether complexes related to mono-iron hydrogenase","Dalton Trans.","2017","","","","","10.1039/C7DT01696D","","","0.71073","MoKα","","0.0226","0.0219","","","0.0539","0.0542","","","","","","1.124","","","","has coordinates","198772","2020-10-21","18:00:00",""
"7043661","8.284","0.0007","17.2411","0.0015","17.8357","0.0016","90","","90","","90","","2547.4","0.4","164","2","164","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 As F6 Mn N4 O2 -","- C22 H28 As F6 Mn N4 O2 -","- C88 H112 As4 F24 Mn4 N16 O8 -","4","1","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0468","0.0433","","","0.1084","0.1105","","","","","","1.12","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043662","8.2287","0.0011","17.549","0.002","18.186","0.003","90","","90","","90","","2626.2","0.6","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 As F6 Mn N4 O2 -","- C22 H28 As F6 Mn N4 O2 -","- C88 H112 As4 F24 Mn4 N16 O8 -","4","1","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0915","0.063","","","0.1666","0.1817","","","","","","1.006","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043665","8.2852","0.0005","17.2151","0.001","17.7965","0.0011","90","","90","","90","","2538.3","0.3","146","2","146","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 As F6 Mn N4 O2 -","- C22 H28 As F6 Mn N4 O2 -","- C88 H112 As4 F24 Mn4 N16 O8 -","4","1","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0403","0.0328","","","0.0978","0.1059","","","","","","0.852","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043667","8.2858","0.0006","17.2042","0.0012","17.7305","0.0012","90","","90","","90","","2527.5","0.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 As F6 Mn N4 O2 -","- C22 H28 As F6 Mn N4 O2 -","- C88 H112 As4 F24 Mn4 N16 O8 -","4","1","","Wang, Shi; Li, Ya-Juan; Ju, Fei-Fei; Xu, Wu-Tan; Kagesawa, Koichi; Li, Yong-hua; Yamashita, Masahiro; Huang, Wei","The molecular and supramolecular aspects in mononuclear manganese(III) Schiff-base spin crossover complexes","Dalton Trans.","2017","","","","","10.1039/C7DT01718A","","","0.71073","MoKα","","0.0461","0.0389","","","0.0902","0.0954","","","","","","1.057","","","","has coordinates","198775","2020-10-21","18:00:00",""
"7043696","11.0055","0.00004","18.5673","0.00007","24.4564","0.00009","90","","90","","90","","4997.48","0.03","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H49 Cl2 F6 P4 Re -","- C52 H49 Cl2 F6 P4 Re -","- C208 H196 Cl8 F24 P16 Re4 -","4","1","","Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard","Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+","Dalton Trans.","2017","","","","","10.1039/C7DT02072D","","","1.54184","CuKα","","0.0325","0.0322","","","0.0828","0.083","","","","","","1.067","","","","has coordinates","198800","2020-10-21","18:00:00",""
"7043704","11.329","0.002","17.763","0.004","22.612","0.004","90","","90","","90","","4550.4","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H58 N4 O4 Zr -","- C46 H58 N4 O4 Zr -","- C184 H232 N16 O16 Zr4 -","4","1","","Duan, Yu-Lai; Hu, Zhi-Jian; Yang, Bo-Qun; Ding, Fei-Fei; Wang, Wei; Huang, Yong; Yang, Ying","Zirconium and hafnium complexes bearing pyrrolidine derived salalen-type {ONNO} ligands and their application for ring-opening polymerization of lactides","Dalton Trans.","2017","","","","","10.1039/C7DT02113E","","","0.71073","MoKα","","0.0623","0.0509","","","0.109","0.1146","","","","","","1.005","","","","has coordinates,has disorder","198814","2020-10-21","18:00:00",""
"7043715","13.4733","0.0008","18.3502","0.001","19.0508","0.0011","90","","90","","90","","4710.1","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H57 Cl2 N7 Ni O16 -","- C42 H55 Cl2 N7 Ni O16 -","- C168 H220 Cl8 N28 Ni4 O64 -","4","1","","Ghosh, Pradyut; Santra, Saikat; Bej, Somnath; Nandi, Mandira; Mondal, Partha","Syntheses of metallo-pseudorotaxanes, rotaxane and post-synthetically functionalized rotaxane: a comprehensive spectroscopic study and dynamic properties","Dalton Trans.","2017","","","","","10.1039/C7DT01364G","","","0.71073","MoKα","","0.0992","0.0774","","","0.1962","0.2168","","","","","","1.03","","","","has coordinates","198873","2020-10-21","18:00:00",""
"7043768","16.189","0.0003","20.1148","0.0004","23.3716","0.0004","90","","90","","90","","7610.7","0.2","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H103 N18 O8 Pr3 -","- C73 H103 N18 O8 Pr3 -","- C292 H412 N72 O32 Pr12 -","4","1","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.0376","0.03","","","0.055","0.0578","","","","","","1.067","","","","has coordinates","199021","2020-10-21","18:00:00",""
"7043771","16.2907","0.0016","20.1796","0.0019","23.505","0.002","90","","90","","90","","7727","1.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C71 H99 Ce3 N18 O7.5 -","- C71 H99 Ce3 N18 O7.5 -","- C284 H396 Ce12 N72 O30 -","4","1","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.041","0.0322","","","0.0795","0.0838","","","","","","1.109","","","","has coordinates,has disorder","199021","2020-10-21","18:00:00",""
"7043773","16.322","0.0006","20.2156","0.0006","23.5719","0.0007","90","","90","","90","","7777.8","0.4","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H103 La3 N18 O8 -","- C73 H103 La3 N18 O8 -","- C292 H412 La12 N72 O32 -","4","1","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.0424","0.0291","","","0.0493","0.0539","","","","","","1.01","","","","has coordinates,has disorder","199021","2020-10-21","18:00:00",""
"7043775","20.0706","0.0017","12.748","0.0011","18.5268","0.0016","90","","90","","90","","4740.3","0.7","173.1","","173.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H76 Ce N8 -","- C44 H76 Ce N8 -","- C176 H304 Ce4 N32 -","4","1","","Werner, Daniel; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","Pyrazolates advance cerium chemistry: a Ce(III)/Ce(IV) redox equilibrium with benzoquinone.","Dalton transactions (Cambridge, England : 2003)","2017","","","","","10.1039/c7dt00635g","","","0.71073","MoKα","","0.0414","0.0391","","","0.081","0.0819","","","","","","1.185","","","","has coordinates,has disorder","199021","2020-10-21","18:00:00",""
"7043817","10.5273","0.0001","18.6503","0.0001","30.8129","0.0002","90","","90","","90","","6049.72","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(aIPr)SbBr2][AlBr4]","","- C54 H72 Al Br6 N4 Sb -","- C54 H72 Al Br6 N4 Sb -","- C216 H288 Al4 Br24 N16 Sb4 -","4","1","","Waters, Jordan; Chen, Qien; Everitt, Thomas; Goicoechea, Jose M.","N-heterocyclic carbene adducts of the heavier group 15 tribromides. Normal to abnormal isomerism and bromide ion abstraction.","Dalton Trans.","2017","","","","","10.1039/C7DT02431B","","","1.54184","CuKα","","0.025","0.0243","","","0.0589","0.0595","","","","","","1.025","","","","has coordinates","199332","2020-10-21","18:00:00",""
"7043822","11.5798","0.0018","12.053","0.002","22.06","0.005","90","","90","","90","","3078.9","1","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29.5 H40 Co2 N2 O11.5 -","- C29.5 H40 Co2 N2 O11.5 -","- C118 H160 Co8 N8 O46 -","4","1","","Novitchi, Ghénadie; Vela, Sergi; Pilet, Guillaume; Train, Cyrille; Robert, Vincent","Twisting Induces Ferromagnetism in Homometallic Clusters","Dalton Trans.","2017","","","","","10.1039/C7DT02360J","","","0.71069","MoKα","","0.1792","0.0681","","0.2201","0.0763","0.0763","","","","","","1.1179","","","","has coordinates","199334","2020-10-21","18:00:00",""
"7043823","7.142","0.0009","10.8966","0.0015","18.928","0.003","90","","90","","90","","1473","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cu N O6 -","- C14 H19 Cu N O6 -","- C56 H76 Cu4 N4 O24 -","4","1","","Novitchi, Ghénadie; Vela, Sergi; Pilet, Guillaume; Train, Cyrille; Robert, Vincent","Twisting Induces Ferromagnetism in Homometallic Clusters","Dalton Trans.","2017","","","","","10.1039/C7DT02360J","","","0.71069","MoKα","","0.0583","0.0423","","0.0518","0.042","0.0396","","","","","","1.1057","","","","has coordinates","199334","2020-10-21","18:00:00",""
"7043833","10.5266","0.0002","17.9167","0.0003","18.7856","0.0004","90","","90","","90","","3543","0.12","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H59 B Mg N2 O3 -","- C36 H59 B Mg N2 O3 -","- C144 H236 B4 Mg4 N8 O12 -","4","1","","Freitag, Benjamin; Fischer, Christian A.; Penafiel, Johanne; Ballmann, Gerd; Elsen, Holger; Färber, Christian; Piesik, Dirk F.; Harder, Sjoerd","Bora-amidinate as a cooperative ligand in group 2 metal catalysis","Dalton Trans.","2017","","","","","10.1039/C7DT02136D","","x-ray","1.54184","CuKα","","0.049","0.0466","","","0.1218","0.1245","","","","","","1.021","","","","has coordinates","199361","2020-10-21","18:00:00",""
"7043889","7.59","0.003","11.39","0.002","13.99","0.01","90","","90","","90","","1209.4","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 N2 O5 Zn -","- C10 H16 N2 O5 Zn -","- C40 H64 N8 O20 Zn4 -","4","1","","Rodríguez-Hemida, Sabina; Evangelio, Emi; Rubio-Martinez, Marta; Imaz, Inhar; Verdaguer, Albert; Juanhuix, Jordi; Maspoch, Daniel","Leucine zipper motif inspiration: a two-dimensional Leucine Velcro-like array in peptide coordination polymers generates hydrophobicity","Dalton Trans.","2017","","","","","10.1039/C7DT02153D","","","0.82653","synchrotron","","0.0418","0.0409","","","0.1066","0.1082","","","","","","1.072","","","","has coordinates","199483","2020-10-21","18:00:00",""
"7043937","11.9601","0.0003","12.4291","0.0003","13.7982","0.0003","90","","90","","90","","2051.15","0.08","180","2","180","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","trichloro[(S)-3-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-1-(1-phenylethyl)-1H-imidazol-3-ium-κ1N]palladium(II)","","- C18 H23 Cl3 N4 Pd -","- C18 H23 Cl3 N4 Pd -","- C72 H92 Cl12 N16 Pd4 -","4","1","","Gómez-Villarraga, Fernando; De Tovar, Jonathan; Guerrero, Miguel; Nolis, Pau; Parella, Teodor; Lecante, Pierre; Romero, Nuria; Escriche, Lluís; Bofill, Roger; Ros, Josep; SALA, XAVIER; Philippot, Karine; García-Antón, Jordi","Dissimilar Catalytic Behavior of Molecular or Colloidal Palladium Systems with a New NHC Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT02729J","","","0.71073","MoKα","","0.0308","0.0239","","","0.0467","0.0492","","","","","","1.016","","","","has coordinates","199658","2020-10-21","18:00:00",""
"7044067","11.5442","0.0006","15.6305","0.0009","19.9973","0.0011","90","","90","","90","","3608.3","0.3","298.15","","298.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 Cl4 Cu3 N10 O -","- C25 H40 Cl4 Cu3 N10 O -","- C100 H160 Cl16 Cu12 N40 O4 -","4","1","","Boudalis, Athanassios; Rogez, Guillaume; Heinrich, Benoît; Raptis, Raphael; Turek, Philippe","Towards ionic liquids with tailored magnetic properties: bmim+ salts of ferro- and antiferromagnetic CuII3 triangles","Dalton Trans.","2017","","","","","10.1039/C7DT02472J","","x-ray","0.71073","MoKα","","0.0711","0.0451","","","0.0978","0.1107","","","","","","1.043","","","","has coordinates,has disorder","200049","2020-10-21","18:00:00",""
"7044118","9.3796","0.0008","15.6315","0.0013","24.742","0.002","90","","90","","90","","3627.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 N5 O Zn -","- C39 H47 N5 O Zn -","- C156 H188 N20 O4 Zn4 -","4","1","","Martínez, Antonio; Moreno-Blázquez, Sonia; Rodriguez-Dieguez, Antonio; Ramos, Alberto; Fernandez-Galan, Rafael; Antiñolo, Antonio; CARRILLO-HERMOSILLA, FERNANDO","Simple ZnEt2 as catalyst in carbodiimide hydroalkynylation: structural and mechanistic studies","Dalton Trans.","2017","","","","","10.1039/C7DT02700A","","","0.71073","MoKα","","0.1177","0.0706","","","0.1466","0.1732","","","","","","1.026","","","","has coordinates","200195","2020-10-21","18:00:00",""
"7044190","9.958","0.002","11.381","0.002","15.909","0.003","90","","90","","90","","1803","0.6","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H29 N3 P2 S -","- C12 H29 N3 P2 S -","- C48 H116 N12 P8 S4 -","4","1","","Plajer, Alexander; Bold, Kevin; Rizzuto, Felix J.; García-Rodríguez, Raúl; Ronson, Tanya; Wright, Dominic S.","Isomerisation, Reactivity and Coordination Chemistry of a New Hybrid, Multi-functional Phosphazane","Dalton Trans.","2017","","","","","10.1039/C7DT03074F","","","1.54178","CuKα","","0.0418","0.0328","","","0.0723","0.0771","","","","","","1.016","","","","has coordinates","200593","2020-10-21","18:00:00",""
"7044226","8.6745","0.0014","13.701","0.002","26.368","0.004","90","","90","","90","","3133.8","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H41 Co2 N16 O2 -","- C23 H41 Co2 N16 O2 -","- C92 H164 Co8 N64 O8 -","4","1","","Mandal, Shuvankar; Mondal, Suraj; Rajnak, Cyril; Titis, Jan; Boca, Roman; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of two mixed-valence Co(III)Co(II) compounds derived from Schiff base ligands: Field supported single-ion-magnet behaviour with easy plane anisotropy","Dalton Trans.","2017","","","","","10.1039/C7DT02455J","","","0.71073","MoKα","","0.0595","0.0484","","","0.1308","0.1387","","","","","","1.026","","","","has coordinates","200876","2020-10-21","18:00:00",""
"7044227","8.424","0.006","13.764","0.009","25.759","0.016","90","","90","","90","","2987","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H39 Co2 N16 O2 -","- C22 H39 Co2 N16 O2 -","- C88 H156 Co8 N64 O8 -","4","1","","Mandal, Shuvankar; Mondal, Suraj; Rajnak, Cyril; Titis, Jan; Boca, Roman; Mohanta, Sasankasekhar","Syntheses, crystal structures and magnetic properties of two mixed-valence Co(III)Co(II) compounds derived from Schiff base ligands: Field supported single-ion-magnet behaviour with easy plane anisotropy","Dalton Trans.","2017","","","","","10.1039/C7DT02455J","","","0.71073","MoKα","","0.1673","0.0797","","","0.1745","0.2173","","","","","","1.004","","","","has coordinates","200876","2020-10-21","18:00:00",""
"7044239","7.3951","0.0004","14.2116","0.001","15.5998","0.0011","90","","90","","90","","1639.48","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bromo-(ethoxy-(thieno[3,2-b]thiophen-2-yl)-carbene)-tetracarbonyl-rhenium","","- C13 H8 Br O5 Re S2 -","- C13 H8 Br O5 Re S2 -","- C52 H32 Br4 O20 Re4 S8 -","4","1","","Lamprecht, Zandria; Radhakrishnan, Shankara; Hildebrandt, Alexander; Lang, Heinrich; Liles, David Charles; Weststrate, Nora-ann; Lotz, Simon; Bezuidenhout, Daniela Ina","Mono-, di- and tetrarhenium Fischer carbene complexes with thienothiophene substituents","Dalton Trans.","2017","","","","","10.1039/C7DT02969A","","","0.71073","MoKα","","0.0287","0.0269","","","0.0612","0.0617","","","","","","1.178","","","","has coordinates","200951","2020-10-21","18:00:00",""
"7044266","13.494","0.003","13.523","0.003","14.425","0.003","90","","90","","90","","2632.3","1","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Cl5 Mo N5 O2 -","- C24 H20 Cl5 Mo N5 O2 -","- C96 H80 Cl20 Mo4 N20 O8 -","4","1","","Mironov, Vladimir Sergeevich; Bazhenova, Tamara A.; Manakin, Yuriy; Lyssenko, Konstantin; Talantsev, Artem Dmitrievich; Yagubskii, Eduard B.","New Mo(IV) complex with the pentadentate (N3O2) Schiff-base ligand: The first non-cyanide pentagonal-bipyramidal paramagnetic 4d complex","Dalton Trans.","2017","","","","","10.1039/C7DT02912H","","","0.71073","MoKα","","0.0477","0.0386","","","0.0965","0.1068","","","","","","1.045","","","","has coordinates","201016","2020-10-21","18:00:00",""
"7044346","10.4215","0.0011","10.431","0.0013","24.812","0.003","90","","90","","90","","2697.2","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 F3 N2 O5 P S -","- C26 H30 F3 N2 O5 P S -","- C104 H120 F12 N8 O20 P4 S4 -","4","1","","Mehta, Meera; Johnstone, Tim; Lam, Jolie; Bidraha, Bid; Hermannsdorfer, Andre; Driess, Matthias; Stephan, Douglas W.","Synthesis and Oxidation of Phosphine Cations†","Dalton Trans.","2017","","","","","10.1039/C7DT03175K","","","0.71073","MoKα","","0.0369","0.0297","","","0.0659","0.069","","","","","","1.03","","","","has coordinates","201395","2020-10-21","18:00:00",""
"7044355","9.1064","0.0003","12.5806","0.0004","26.4577","0.0009","90","","90","","90","","3031.1","0.17","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 Cl2 N4 O2 Th -","- C30 H38 Cl2 N4 O2 Th -","- C120 H152 Cl8 N16 O8 Th4 -","4","1","","Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John","New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium","Dalton Trans.","2017","","","","","10.1039/C7DT02682J","","","0.71073","MoKα","","0.0203","0.0198","","","0.0473","0.0476","","","","","","1.08","","","","has coordinates","201541","2020-10-21","18:00:00",""
"7044472","10.0392","0.0002","12.9768","0.0002","24.0642","0.0005","90","","90","","90","","3135","0.1","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 B10 Ir N O4 S -","- C25 H36 B10 Ir N O4 S -","- C100 H144 B40 Ir4 N4 O16 S4 -","4","1","","Jin, Guo-Xin; Cui, Peng-Fei; Lin, Yue-Jian","Synthesis and Reactivity of 16-electron Half-Sandwich Iridium Complexes Bearing a Carboranylthioamide Ligand","Dalton Trans.","2017","","","","","10.1039/C7DT03529B","","","1.54178","CuKα","","0.019","0.0179","","","0.04","0.0412","","","","","","1.104","","","","has coordinates","202043","2020-10-21","18:00:00",""
"7044514","10.5095","0.0002","12.0198","0.0003","13.0933","0.0002","90","","90","","90","","1653.97","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Au Cl N2 O2 -","- C14 H20 Au Cl N2 O2 -","- C56 H80 Au4 Cl4 N8 O8 -","4","1","","Bertrand, Benoît; Romanov, Alexander S.; Brooks, Mark; Schmidt, Claudia; Ott, Ingo; O'Connell, Maria Anne; Bochmann, Manfred","Synthesis, Structure and Cytotoxicity of Cyclic (Alkyl)(Amino) Carbene and Acyclic Carbene Complexes of Group 11 metals","Dalton Trans.","2017","","","","","10.1039/C7DT03189K","","","0.71075","MoKα","","0.0275","0.0256","","","0.055","0.0557","","","","","","1.027","","","","has coordinates","202262","2020-10-21","18:00:00",""
"7044545","7.4456","0.0002","14.2674","0.0004","24.4414","0.0007","90","","90","","90","","2596.39","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H6 Br N2 O4 Re -","- C11 H6 Br N2 O4 Re -","- C88 H48 Br8 N16 O32 Re8 -","8","2","","Siegmund, Daniel; Lorenz, Nicole; Gothe, Yvonne; Spies, Christian; Geissler, Bastian; Prochnow, Pascal; Nuernberger, Patrick; Bandow, Julia E.; Metzler-Nolte, Nils","Benzannulated Re(i)‒NHC complexes: synthesis, photophysical properties and antimicrobial activity","Dalton Trans.","2017","","","","","10.1039/C7DT02874A","","","0.71073","MoKα","","0.0263","0.0246","","","0.0557","0.0565","","","","","","1.148","","","","has coordinates","202343","2020-10-21","18:00:00",""
"7044554","9.7378","0.0004","16.4348","0.0007","18.137","0.0008","90","","90","","90","","2902.6","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C23 H46 B Cl F4 N P2 Rh -","- C23 H46 B Cl F4 N P2 Rh -","- C92 H184 B4 Cl4 F16 N4 P8 Rh4 -","4","1","","Téllez, Juan; Gallen, Albert; Ferrer, Joaquina; Lahoz, Fernando J.; García-Orduña, Pilar; Riera, Antoni; Verdaguer, Xavier; Carmona, Daniel; Grabulosa, Arnald","Half-Sandwich Complexes of Ir(III), Rh(III) and Ru(II) with the MaxPhos Ligand: Metal Centred Chirality and Cyclometallation","Dalton Trans.","2017","","","","","10.1039/C7DT03327C","","","0.71073","MoKα","","0.0285","0.0267","","","0.0658","0.0672","","","","","","1.053","","","","has coordinates,has disorder","202367","2020-10-21","18:00:00",""
"7044555","10.8826","0.0006","16.1242","0.0008","17.1538","0.0008","90","","90","","90","","3010","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H45 Cl F6 N P3 Ru -","- C23 H45 Cl F6 N P3 Ru -","- C92 H180 Cl4 F24 N4 P12 Ru4 -","4","1","","Téllez, Juan; Gallen, Albert; Ferrer, Joaquina; Lahoz, Fernando J.; García-Orduña, Pilar; Riera, Antoni; Verdaguer, Xavier; Carmona, Daniel; Grabulosa, Arnald","Half-Sandwich Complexes of Ir(III), Rh(III) and Ru(II) with the MaxPhos Ligand: Metal Centred Chirality and Cyclometallation","Dalton Trans.","2017","","","","","10.1039/C7DT03327C","","","0.71073","MoKα","","0.0231","0.0213","","","0.0508","0.0518","","","","","","1.034","","","","has coordinates","202367","2020-10-21","18:00:00",""
"7044556","9.7215","0.0004","16.4551","0.0007","18.1397","0.0008","90","","90","","90","","2901.8","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C23 H46 B Cl F4 Ir N P2 -","- C23 H46 B Cl F4 Ir N P2 -","- C92 H184 B4 Cl4 F16 Ir4 N4 P8 -","4","1","","Téllez, Juan; Gallen, Albert; Ferrer, Joaquina; Lahoz, Fernando J.; García-Orduña, Pilar; Riera, Antoni; Verdaguer, Xavier; Carmona, Daniel; Grabulosa, Arnald","Half-Sandwich Complexes of Ir(III), Rh(III) and Ru(II) with the MaxPhos Ligand: Metal Centred Chirality and Cyclometallation","Dalton Trans.","2017","","","","","10.1039/C7DT03327C","","","0.71073","MoKα","","0.0232","0.0218","","","0.0512","0.0517","","","","","","1.034","","","","has coordinates","202367","2020-10-21","18:00:00",""
"7044604","10.3175","0.0008","19.2105","0.0012","36.437","0.003","90","","90","","90","","7222","0.9","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C75 H86 B2 Cl2 F8 N2 O P4 Ru2 -","- C75 H86 B2 Cl2 F8 N2 O P4 Ru2 -","- C300 H344 B8 Cl8 F32 N8 O4 P16 Ru8 -","4","1","","Broomfield, Lewis Marc; Alonso-Moreno, Carlos; Martin, Eddy; Shafir, Alexandr; Posadas, Inmaculada; Ceña, Valentín; Castro-Osma, José Antonio","Aminophosphine Ligands as a Privileged Platform for Development of Antitumoral Ruthenium(II) Arene Complexes","Dalton Trans.","2017","","","","","10.1039/C7DT03369A","","","0.71073","MoKα","","0.0285","0.0252","","","0.0527","0.054","","","","","","1.04","","","","has coordinates,has disorder","202465","2020-10-21","18:00:00",""
"7044653","11.366","0.002","11.65","0.002","11.659","0.002","90","","90","","90","","1543.8","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H17 B5 N2 O10 -","- C7 H17 B5 N2 O10 -","- C28 H68 B20 N8 O40 -","4","1","","Pan, Chun-Yang; Zhou, Kang; Li, Jun; Zhao, Feng-Hua; Liu, Zhi-Qiang; Chen, Zhuo-Qing","Temperature dependence of photoluminescence and hydrogen bonding revealed for the first time in templated borate family: synthesis, structure and properties of a pentborate [Emmim][B5O6(OH)4]","Dalton Transactions","2017","","","","","10.1039/C7DT03896H","","","0.71073","MoKα","","0.1114","0.0782","","","0.2075","0.2322","","","","","","1.41","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7044735","10.4169","0.0014","10.7244","0.0015","21.33","0.003","90","","90","","90","","2382.9","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 B2 F8 Fe N6 O -","- C19 H27 B2 F8 Fe N6 O -","- C76 H108 B8 F32 Fe4 N24 O4 -","4","1","","Levin, Natalia; Perdoménico, Julián; Bill, Eckhard; Weyhermüller, Thomas; Slep, Leonardo D.","Pushing the photodelivery of nitric oxide to the visible: are {FeNO}7 complexes good candidates?","Dalton Transactions","2017","","","","","10.1039/C7DT03142D","","","0.71073","MoKα","","0.0614","0.0535","","","0.1475","0.1555","","","","","","1.056","","","","has coordinates,has disorder","203028","2020-10-21","18:00:00",""
"7044789","12.2369","0.0006","14.6825","0.0007","18.061","0.0008","90","","90","","90","","3245","0.3","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 B2 Br I3 N2 -","- C26 H36 B2 Br I3 N2 -","- C104 H144 B8 Br4 I12 N8 -","4","1","","Hickox, Hunter P.; Wang, Yuzhong; Luedecke, Kaitlin M.; Xie, Yaoming; Wei, Pingrong; Carrillo, Deidrah; Dominique, Nathaniel L.; Cui, Dongtao; Schaefer, Henry F.; Robinson, Gregory H.","1,3,2-Diazaborole-derived carbene complexes of boron.","Dalton transactions (Cambridge, England : 2003)","2017","47","1","41","44","10.1039/c7dt04079b","","","0.71073","MoKα","","0.0471","0.0378","","","0.0925","0.0982","","","","","","1.072","","","","has coordinates","229387","2020-10-21","18:00:00",""
"7044869","9.328","0.005","11.49","0.006","21.33","0.01","90","","90","","90","","2286","2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Cl O3 Ru -","- C24 H27 Cl O3 Ru -","- C96 H108 Cl4 O12 Ru4 -","4","1","","Mandal, Poulami; Kundu, Bidyut Kumar; Vyas, Komal; Sabu, Vidya; Helen, A.; Dhankhar, Sandeep Singh; Nagaraja, C. M.; Bhattacherjee, Debojit; Bhabak, Krishna Pada; Mukhopadhyay, Suman","Ruthenium(ii) arene NSAID complexes: inhibition of cyclooxygenase and antiproliferative activity against cancer cell lines.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","517","527","10.1039/c7dt03637j","","","0.71073","MoKα","","0.1189","0.0532","","","0.1294","0.1454","","","","","","1.07","","","","has coordinates","229576","2020-10-21","18:00:00",""
"7044902","11.0319","0.0005","12.4908","0.0005","17.7452","0.0008","90","","90","","90","","2445.24","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Ca N10 O6 -","- C20 H12 Ca N10 O6 -","- C80 H48 Ca4 N40 O24 -","4","1","","Nimax, Patrick R.; Sünkel, Karlheinz","Structural diversity in the alkaline earth metal compounds of tetra and pentacyanocyclopentadienide.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","409","417","10.1039/c7dt03862c","","","0.71073","MoKα","","0.0276","0.0239","","","0.0524","0.0544","","","","","","1.054","","","","has coordinates","229563","2020-10-21","18:00:00",""
"7044929","10.9327","0.0008","12.4204","0.0009","13.7243","0.0009","90","","90","","90","","1863.6","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 Cl Ge N2 S2 -","- C14 H23 Cl Ge N2 S2 -","- C56 H92 Cl4 Ge4 N8 S8 -","4","1","","Nakata, Norio; Hosoda, Narimi; Takahashi, Shintaro; Ishii, Akihiko","Chlorogermylenes and -stannylenes stabilized by diimidosulfinate ligands: synthesis, structures, and reactivity.","Dalton transactions (Cambridge, England : 2003)","2018","47","2","481","490","10.1039/c7dt04390b","","","0.71073","MoKα","","0.0298","0.029","","","0.0731","0.0735","","","","","","1.048","","","","has coordinates","229568","2020-10-21","18:00:00",""
"7044981","9.4637","0.0012","10.0585","0.0013","27.632","0.004","90","","90","","90","","2630.3","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[Na(OCP)(dibenzo-18-crown-6)]","","- C25 H32 Na O8 P -","- C25 H32 Na O8 P -","- C100 H128 Na4 O32 P4 -","4","1","","Gilliard, Robert J.; Heift, Dominikus; Benkő, Zoltán; Keiser, Jerod M.; Rheingold, Arnold L.; Grützmacher, Hansjörg; Protasiewicz, John D.","An isolable magnesium diphosphaethynolate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","666","669","10.1039/c7dt04539e","","","0.71073","MoKα","","0.0726","0.0343","","","0.0456","0.051","","","","","","0.813","","","","has coordinates","230057","2020-10-21","18:00:00",""
"7045028","12.0554","0.0009","14.956","0.0011","36.898","0.003","90","","90","","90","","6652.7","0.9","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H68 N8 O19 Zn3 -","- C38 H26 N2 O13 Zn3 -","- C152 H104 N8 O52 Zn12 -","4","1","","Meng, Xing; Wei, Mei-Jie; Wang, Hai-Ning; Zang, Hong-Ying; Zhou, Zi-Yan","Multifunctional luminescent Zn(ii)-based metal-organic framework for high proton-conductivity and detection of Cr<sup>3+</sup> ions in the presence of mixed metal ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1383","1387","10.1039/c7dt03932h","","","0.71073","MoKα","","0.0578","0.0488","","","0.1322","0.1391","","","","","","1.033","","","","has coordinates,has disorder","229454","2020-10-21","18:00:00",""
"7045045","10.2304","0.0003","11.9959","0.0005","23.2353","0.0009","90","","90","","90","","2851.5","0.18","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","trisphenylbismuth-bis(S-mandelate)","","- C34 H29 Bi O6 -","- C34 H29 Bi O6 -","- C136 H116 Bi4 O24 -","4","1","","Duffin, Rebekah N.; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Comparative stability, toxicity and anti-leishmanial activity of triphenyl antimony(v) and bismuth(v) α-hydroxy carboxylato complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","971","980","10.1039/c7dt04171c","","","0.71073","MoKα","","0.0362","0.0275","","","0.0499","0.0526","","","","","","0.877","","","","has coordinates","230054","2020-10-21","18:00:00",""
"7045046","10.248","0.0008","12.0087","0.0011","23.2139","0.0016","90","","90","","90","","2856.8","0.4","123","2","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","trisphenylbismuth-bis(R-mandelate)","","- C34 H29 Bi O6 -","- C34 H29 Bi O6 -","- C136 H116 Bi4 O24 -","4","1","","Duffin, Rebekah N.; Blair, Victoria L.; Kedzierski, Lukasz; Andrews, Philip C.","Comparative stability, toxicity and anti-leishmanial activity of triphenyl antimony(v) and bismuth(v) α-hydroxy carboxylato complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","3","971","980","10.1039/c7dt04171c","","","0.71073","MoKα","","0.0415","0.0322","","","0.0599","0.0632","","","","","","0.89","","","","has coordinates","230054","2020-10-21","18:00:00",""
"7045083","10.88","0.004","11.998","0.005","21.837","0.008","90","","90","","90","","2850.6","1.9","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl Eu0 Fe N2 O6 Se2 -","- C27 H28 Cl Fe N2 O6 Se2 -","- C108 H112 Cl4 Fe4 N8 O24 Se8 -","4","1","","Qu, Jian; Xia, Qing; Ji, Wei; Jing, Su; Zhu, Dunru; Li, Lin; Huang, Ling; An, Zhongfu; Xin, Chenqi; Ni, Yun; Li, Mengxue; Jia, Jidong; Song, Yinglin; Huang, Wei","A ferrocene∩europium assembly showing phototriggered anticancer activity and fluorescent modality imaging.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1479","1487","10.1039/c7dt04492e","","","0.71073","MoKα","","0.074","0.0428","","","0.0826","0.0912","","","","","","0.999","","","","has coordinates","229458","2020-10-21","18:00:00",""
"7045176","11.4405","0.0001","22.3759","0.0002","32.0362","0.0002","90","","90","","90","","8200.99","0.11","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C88 H83 B2 F20 Fe N4 O1.5 -","- C88 H83 B2 F20 Fe N4 O1.5 -","- C352 H332 B8 F80 Fe4 N16 O6 -","4","1","","Tirfoin, Rémi; Gilbert, Jessica; Kelly, Michael J.; Aldridge, Simon","Frustrated Lewis pairs incorporating the bifunctional Lewis acid 1,1'-fc{B(C<sub>6</sub>F<sub>5</sub>)<sub>2</sub>}<sub>2</sub>: reactivity towards small molecules.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1588","1598","10.1039/c7dt04136e","","","1.54184","CuKα","","0.0428","0.0421","","","0.1252","0.1263","","","","","","1.036","","","","has coordinates,has disorder","229457","2020-10-21","18:00:00",""
"7045201","7.729","0.0015","8.4703","0.0017","16.521","0.003","90","","90","","90","","1081.6","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pb3SeO3Br4","","- Br4 O3 Pb3 Se -","- Br4 O3 Pb3 Se -","- Br16 O12 Pb12 Se4 -","4","1","","Wang, Xiaoxiao; Jiang, Xingxing; Liu, Hongming; Yang, Lei; Lin, Zheshuai; Hu, Zhanggui; Meng, Xianggao; Chen, Xingguo; Qin, Jingui","Pb<sub>3</sub>(SeO<sub>3</sub>)Br<sub>4</sub>: a new nonlinear optical material with enhanced SHG response designed via an ion-substitution strategy.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1911","1917","10.1039/c7dt04443g","","","0.71073","MoKα","","0.0426","0.0336","","","0.0611","0.0644","","","","","","0.989","","","","has coordinates","229595","2020-10-21","18:00:00",""
"7045212","6.56456","0.00012","15.9301","0.0003","19.5077","0.0004","90","","90","","90","","2040","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Fe O5 Si -","- C20 H20 Fe O5 Si -","- C80 H80 Fe4 O20 Si4 -","4","1","","Del Grosso, Alessandro; Chamberlain, Alexander E.; Clarkson, Guy J.; Wills, Martin","Synthesis and applications to catalysis of novel cyclopentadienone iron tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1451","1470","10.1039/c7dt03250a","","x-ray","0.71073","MoKα","","0.0306","0.0256","","","0.0618","0.0638","","","","","","1.041","","","","has coordinates","229467","2020-10-21","18:00:00",""
"7045214","8.60374","0.00007","14.16447","0.00011","19.76246","0.00018","90","","90","","90","","2408.4","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Fe O8 -","- C26 H22 Fe O8 -","- C104 H88 Fe4 O32 -","4","1","","Del Grosso, Alessandro; Chamberlain, Alexander E.; Clarkson, Guy J.; Wills, Martin","Synthesis and applications to catalysis of novel cyclopentadienone iron tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1451","1470","10.1039/c7dt03250a","","x-ray","1.54184","CuKα","","0.0276","0.0271","","","0.0716","0.0719","","","","","","1.041","","","","has coordinates","229467","2020-10-21","18:00:00",""
"7045215","6.7299","0.00005","16.1778","0.00013","19.24565","0.00017","90","","90","","90","","2095.37","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Fe O5 Si2 -","- C17 H24 Fe O5 Si2 -","- C68 H96 Fe4 O20 Si8 -","4","1","","Del Grosso, Alessandro; Chamberlain, Alexander E.; Clarkson, Guy J.; Wills, Martin","Synthesis and applications to catalysis of novel cyclopentadienone iron tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1451","1470","10.1039/c7dt03250a","","x-ray","1.54184","CuKα","","0.0311","0.0301","","","0.0755","0.0763","","","","","","1.052","","","","has coordinates","229467","2020-10-21","18:00:00",""
"7045216","6.66446","0.00013","16.1511","0.0003","19.242","0.0004","90","","90","","90","","2071.18","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Fe O5 Si -","- C20 H20 Fe O5 Si -","- C80 H80 Fe4 O20 Si4 -","4","1","","Del Grosso, Alessandro; Chamberlain, Alexander E.; Clarkson, Guy J.; Wills, Martin","Synthesis and applications to catalysis of novel cyclopentadienone iron tricarbonyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","5","1451","1470","10.1039/c7dt03250a","","x-ray","0.71073","MoKα","","0.0427","0.0324","","","0.0753","0.0796","","","","","","1.025","","","","has coordinates","229467","2020-10-21","18:00:00",""
"7045219","9.3978","0.0003","9.6284","0.0003","17.6552","0.0005","90","","90","","90","","1597.54","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Bi Cs3 O14 P4 Sr -","- Bi Cs3 O14 P4 Sr -","- Bi4 Cs12 O56 P16 Sr4 -","4","1","","Zatovsky, Igor V.; Strutynska, Nataliia Yu; Hizhnyi, Yuriy A.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.; Odynets, Ievgen V.; Klyui, N. I.","New complex phosphates Cs<sub>3</sub>M<sup>II</sup>Bi(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub> (M<sup>II</sup> - Ca, Sr and Pb): synthesis, characterization, crystal and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2274","2284","10.1039/c7dt04505k","","x-ray","0.71073","MoKα","","0.041","0.0314","","","0.0524","0.0571","","","","","","1.114","","","","has coordinates","229779","2020-10-21","18:00:00",""
"7045220","9.2873","0.0001","9.4292","0.0001","17.6162","0.0001","90","","90","","90","","1542.68","0.02","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Bi Ca Cs3 O14 P4 -","- Bi Ca Cs3 O14 P4 -","- Bi4 Ca4 Cs12 O56 P16 -","4","1","","Zatovsky, Igor V.; Strutynska, Nataliia Yu; Hizhnyi, Yuriy A.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.; Odynets, Ievgen V.; Klyui, N. I.","New complex phosphates Cs<sub>3</sub>M<sup>II</sup>Bi(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub> (M<sup>II</sup> - Ca, Sr and Pb): synthesis, characterization, crystal and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2274","2284","10.1039/c7dt04505k","","x-ray","0.71073","MoKα","","0.0265","0.0243","","","0.0632","0.0644","","","","","","1.04","","","","has coordinates","229779","2020-10-21","18:00:00",""
"7045221","9.4243","0.0001","9.7261","0.0001","17.5291","0.0001","90","","90","","90","","1606.75","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Bi Cs3 O14 P4 Pb -","- Bi Cs3 O14 P4 Pb -","- Bi4 Cs12 O56 P16 Pb4 -","4","1","","Zatovsky, Igor V.; Strutynska, Nataliia Yu; Hizhnyi, Yuriy A.; Baumer, Vyacheslav N.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.; Odynets, Ievgen V.; Klyui, N. I.","New complex phosphates Cs<sub>3</sub>M<sup>II</sup>Bi(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub> (M<sup>II</sup> - Ca, Sr and Pb): synthesis, characterization, crystal and electronic structure.","Dalton transactions (Cambridge, England : 2003)","2018","47","7","2274","2284","10.1039/c7dt04505k","","x-ray","0.71073","MoKα","","0.0223","0.0197","","","0.0445","0.0457","","","","","","1.047","","","","has coordinates","229779","2020-10-21","18:00:00",""
"7045223","10.043","0.002","16.34","0.003","26.089","0.005","90","","90","","90","","4281.3","1.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H44 F8 N2 P2 Pt -","- C48 H44 F8 N2 P2 Pt -","- C192 H176 F32 N8 P8 Pt4 -","4","1","","Cullinane, Carleen; Deacon, Glen B.; Drago, Penny R.; Erven, Anja P.; Junk, Peter C.; Luu, Jenny; Meyer, Gerd; Schmitz, Simon; Ott, Ingo; Schur, Julia; Webster, Lorraine K.; Klein, Axel","Synthesis and antiproliferative activity of a series of new platinum and palladium diphosphane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1918","1932","10.1039/c7dt04615d","","","0.7108","synchrotron","","0.0777","0.0681","","","0.1637","0.1708","","","","","","1.004","","","","has coordinates","229594","2020-10-21","18:00:00",""
"7045224","10.073","0.002","16.346","0.003","25.938","0.005","90","","90","","90","","4270.8","1.4","446","2","446","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H44 F8 N2 P2 Pd -","- C48 H44 F8 N2 P2 Pd -","- C192 H176 F32 N8 P8 Pd4 -","4","1","","Cullinane, Carleen; Deacon, Glen B.; Drago, Penny R.; Erven, Anja P.; Junk, Peter C.; Luu, Jenny; Meyer, Gerd; Schmitz, Simon; Ott, Ingo; Schur, Julia; Webster, Lorraine K.; Klein, Axel","Synthesis and antiproliferative activity of a series of new platinum and palladium diphosphane complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","1918","1932","10.1039/c7dt04615d","","","0.71073","synchrotron","","0.0274","0.0272","","","0.067","0.0671","","","","","","1.054","","","","has coordinates","229594","2020-10-21","18:00:00",""
"7045287","17.2926","0.001","23.7807","0.0014","28.6217","0.0016","90","","90","","90","","11770.1","1.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C111 H149 Co4 N25 O4 -","- C111 H149 Co4 N25 O4 -","- C444 H596 Co16 N100 O16 -","4","1","","Cook, Brian J.; Chen, Chun-Hsing; Pink, Maren; Caulton, Kenneth G.","Dehydrohalogenation of proton responsive complexes: versatile aggregation via pyrazolate pincer ligand arms.","Dalton transactions (Cambridge, England : 2003)","2018","47","6","2052","2060","10.1039/c7dt04253a","","","0.71073","MoKα","","0.0617","0.0507","","0.1433","0.1356","0.1433","","","","","","0.9725","","","","has coordinates,has disorder","229600","2020-10-21","18:00:00",""
"7045292","21.051","0.004","21.361","0.004","21.402","0.004","90","","90","","90","","9624","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22.4 Na O8.7 U -","- C12 H22.4 Na O8.7 U -","- C240 H448 Na20 O174 U20 -","20","5","","Savchenkov, Anton V.; Vologzhanina, Anna V.; Dmitrienko, Artem O.; Zubavichus, Yan V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Crystal structures of uranyl complexes with isobutyrate and isovalerate anions","Dalton Transactions","2018","","","","","10.1039/C7DT04042C","","","0.9699","synchrotron","","0.1073","0.0805","","","0.1857","0.2","","","","","","1.142","","","","has coordinates,has disorder","205292","2020-10-21","18:00:00",""
"7045361","13.606","0.003","14.404","0.003","23.214","0.005","90","","90","","90","","4549.5","1.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H45 Co N2 O11 Zn2 -","- C33 H45 Co N2 O11 Zn2 -","- C132 H180 Co4 N8 O44 Zn8 -","4","1","","Tang, Yu-Huan; Wang, Fei; Zhang, Jian","Construction of unprecedented pillar-layered metal organic frameworks via a dual-ligand strategy for dye degradation.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4032","4035","10.1039/c7dt04484d","","","0.71073","MoKα","","0.0686","0.0642","","","0.2227","0.2302","","","","","","0.925","","","","has coordinates","230046","2020-10-21","18:00:00",""
"7045481","11.9721","0.0011","14.8594","0.0013","17.2769","0.0017","90","","90","","90","","3073.5","0.5","99","2","99","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 B F2 N4 -","- C38 H35 B F2 N4 -","- C152 H140 B4 F8 N16 -","4","1","","Tay, Aaron Chin Yit; Frogley, Benjamin J.; Ware, David C.; Brothers, Penelope J.","Boron calixphyrin complexes: exploring the coordination chemistry of a BODIPY/porphyrin hybrid.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3388","3399","10.1039/c7dt04575a","","","0.71073","MoKα","","0.1619","0.0628","","","0.128","0.1582","","","","","","1.004","","","","has coordinates,has disorder","229235","2020-10-21","18:00:00",""
"7045484","10.0819","0.0005","15.295","0.0006","20.4679","0.001","90","","90","","90","","3156.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","'compound 8''","","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C128 H144 Au8 Cl8 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0623","0.0478","","","0.0955","0.0992","","","","","","1.051","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045486","10.3753","0.0007","16.1108","0.0009","25.1352","0.0014","90","","90","","90","","4201.5","0.4","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","'tBuFOMeAu(II)Cl'","","- C38 H48 Au2 Cl6 Fe2 N2 O2 -","- C38 H48 Au2 Cl6 Fe2 N2 O2 -","- C152 H192 Au8 Cl24 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0401","0.0274","","","0.0365","0.0382","","","","","","0.915","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045489","9.0827","0.0009","16.1005","0.0013","20.765","0.002","90","","90","","90","","3036.6","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","'(Rp)-iPrFOAu(II)Cl'","","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C128 H144 Au8 Cl8 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","0.71073","MoKα","","0.0744","0.043","","","0.0579","0.0638","","","","","","0.883","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045498","6.7822","0.0006","12.1326","0.0009","37.407","0.003","90","","90","","90","","3078.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Rp)-iPrFOAu(I)'","","- C32 H36 Au2 Fe2 N2 O2 -","- C32 H36 Au2 Fe2 N2 O2 -","- C128 H144 Au8 Fe8 N8 O8 -","4","1","","Holz, Julia; Ayerbe García, Marta; Frey, Wolfgang; Krupp, Felix; Peters, René","Diastereoselective synthesis, structure and reactivity studies of ferrocenyloxazoline gold(i) and gold(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3880","3905","10.1039/c8dt00109j","","","1.54178","CuKα","","0.0501","0.0331","","","0.0594","0.0628","","","","","","0.987","","","","has coordinates","229993","2020-10-21","18:00:00",""
"7045508","16.0667","0.0007","17.5351","0.0008","23.8145","0.0011","90","","90","","90","","6709.3","0.5","151","2","151","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H90 Ge9 Si12 -","- C32 H90 Ge9 Si12 -","- C128 H360 Ge36 Si48 -","4","1","","Frischhut, Sabine; Fässler, Thomas F","Synthesis of low-oxidation-state germanium clusters comprising a functional anchor group - synthesis and characterization of [(Ge<sup>0</sup>)<sub>5</sub>(Ge-R)<sub>3</sub>(Ge-(CH<sub>2</sub>)<sub>n</sub>-CH[double bond, length as m-dash]CH<sub>2</sub>)] with R = Si(SiMe<sub>3</sub>)<sub>3</sub>.","Dalton transactions (Cambridge, England : 2003)","2018","47","10","3223","3226","10.1039/c8dt00321a","","","0.71073","MoKα","","0.0203","0.0174","","","0.042","0.0441","","","","","","1.09","","","","has coordinates,has disorder","229242","2020-10-21","18:00:00",""
"7045558","12.0511","0.0009","20.7963","0.0015","23.9256","0.0017","90","","90","","90","","5996.2","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H92 N5 Si2 Yb -","- C58 H92 N5 Si2 Yb -","- C232 H368 N20 Si8 Yb4 -","4","1","","Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu","Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3947","3957","10.1039/c7dt04410k","","","0.71073","MoKα","","0.085","0.0429","","","0.071","0.0831","","","","","","0.922","","","","has coordinates","230005","2020-10-21","18:00:00",""
"7045572","10.102","0.005","17.263","0.005","24.347","0.005","90","","90","","90","","4246","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H63 Dy N O7 -","- C38 H63 Dy N O7 -","- C152 H252 Dy4 N4 O28 -","4","1","","Yao, Xu; Yan, Pengfei; An, Guanghui; Li, Yuxin; Li, Weizuo; Li, Guangming","Investigation of magneto-structural correlation based on a series of seven-coordinated β-diketone Dy(iii) single-ion magnets with C<sub>2v</sub> and C<sub>3v</sub> local symmetry.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3976","3984","10.1039/c7dt04764a","","","0.71069","MoKα","","0.0538","0.0445","","","0.1047","0.1125","","","","","","1.066","","","","has coordinates,has disorder","230004","2020-10-21","18:00:00",""
"7045573","10.061","0.005","18.089","0.005","23.985","0.005","90","","90","","90","","4365","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H62 Dy N O7 -","- C39 H62 Dy N O7 -","- C156 H248 Dy4 N4 O28 -","4","1","","Yao, Xu; Yan, Pengfei; An, Guanghui; Li, Yuxin; Li, Weizuo; Li, Guangming","Investigation of magneto-structural correlation based on a series of seven-coordinated β-diketone Dy(iii) single-ion magnets with C<sub>2v</sub> and C<sub>3v</sub> local symmetry.","Dalton transactions (Cambridge, England : 2003)","2018","47","11","3976","3984","10.1039/c7dt04764a","","","0.71069","MoKα","","0.0391","0.0322","","","0.063","0.0673","","","","","","1.043","","","","has coordinates,has disorder","230004","2020-10-21","18:00:00",""
"7045654","16.49656","0.00016","16.69422","0.00014","18.18356","0.00014","90","","90","","90","","5007.7","0.07","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H50 Cl N O2 P4 Ru -","- C62 H50 Cl N O2 P4 Ru -","- C248 H200 Cl4 N4 O8 P16 Ru4 -","4","1","","Du, Jun; Kodikara, Mahesh S.; Moxey, Graeme J.; Morshedi, Mahbod; Barlow, Adam; Quintana, Cristóbal; Wang, Genmiao; Stranger, Robert; Zhang, Chi; Cifuentes, Marie P.; Humphrey, Mark G.","Quadratic and cubic hyperpolarizabilities of nitro-phenyl/-naphthalenyl/-anthracenyl alkynyl complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4560","4571","10.1039/c8dt00155c","","x-ray","0.71073","MoKα","","0.0354","0.0295","","","0.0664","0.0705","","","","","","1.071","","","","has coordinates","229744","2020-10-21","18:00:00",""
"7045677","6.198","0.0002","19.1223","0.0006","27.6952","0.0008","90","","90","","90","","3282.44","0.18","101","2","101.27","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 N2 O2 Tl2 -","- C32 H46 N2 O2 Tl2 -","- C128 H184 N8 O8 Tl8 -","4","1","","Boyle, Timothy J.; Perales, Diana; Rimsza, Jessica M.; Alam, Todd M.; Boye, Daniel M.; Sears, Jeremiah M.; Greathouse, Jeffery A.; Kemp, Richard A.","Synthesis and characterization of thallium-salen derivatives for use as underground fluid flow tracers.","Dalton transactions (Cambridge, England : 2003)","2018","47","12","4162","4174","10.1039/c7dt04121g","","","1.54178","CuKα","","0.0275","0.027","","","0.0677","0.068","","","","","","1.103","","","","has coordinates","230048","2020-10-21","18:00:00",""
"7045730","9.836","0.0005","10.5827","0.0004","30.532","0.0014","90","","90","","90","","3178.1","0.2","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H44 P2 -","- C39 H44 P2 -","- C156 H176 P8 -","4","1","","Tsurusaki, Akihiro; Ura, Rikako; Kamikawa, Ken","1,1'-Binaphthyl-substituted diphosphene: synthesis, structures, and chiral optical properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","13","4437","4441","10.1039/c8dt00441b","","","0.71075","MoKα","","0.0322","0.0312","","","0.072","0.0727","","","","","","1.061","","","","has coordinates","229747","2020-10-21","18:00:00",""
"7045779","10.2955","0.0005","12.354","0.001","16.2973","0.0009","90","","90","","90","","2072.9","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(7,7-dimethyl-5,6,7,8-tetrahydro-6,8-methanoisoquinolin-3-yl)-2,4-diisopropyl-1,2,4,5-tetrazinan-3-one","","- C20 H31 N5 O -","- C20 H31 N5 O -","- C80 H124 N20 O4 -","4","1","","Solea, Atena B.; Wohlhauser, Tobie; Abbasi, Parisa; Mongbanziama, Yvan; Crochet, Aurelien; Fromm, Katharina M.; Novitchi, Ghenadie; Train, Cyrille; Pilkington, Melanie; Mamula, Olimpia","Versatile synthesis of chiral 6-oxoverdazyl radical ligands - new building blocks for multifunctional molecule-based magnets.","Dalton transactions (Cambridge, England : 2003)","2018","47","14","4785","4789","10.1039/c8dt00840j","","x-ray","0.71073","MoKα","","0.1506","0.0673","","","0.153","0.1939","","","","","","1.015","","","","has coordinates","229769","2020-10-21","18:00:00",""
"7045949","9.3406","0.0002","11.0888","0.0002","16.2286","0.0003","90","","90","","90","","1680.89","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 B2 N2 O2 -","- C14 H30 B2 N2 O2 -","- C56 H120 B8 N8 O8 -","4","1","","Oschmann, W.; Borner, C.; Kleeberg, C.","Unsymmetrical diborane(4) derivatives by copper mediated B-B coupling.","Dalton transactions (Cambridge, England : 2003)","2018","47","15","5318","5327","10.1039/c8dt00627j","","","1.54184","CuKα","","0.0383","0.0367","","","0.0971","0.0991","","","","","","1.028","","","","has coordinates","229848","2020-10-21","18:00:00",""
"7045959","6.7117","0.0002","17.0422","0.0005","20.1108","0.0007","90","","90","","90","","2300.32","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H14 Co2 N7 O5 -","- C23 H14 Co2 N7 O5 -","- C92 H56 Co8 N28 O20 -","4","1","","Gong, Chunhua; Guo, Haiyang; Zeng, Xianghua; Xu, Hao; Zeng, Qingdao; Zhang, Junyong; Xie, Jingli","Flexible and rigid dicarboxylic acids enable the assembly of achiral and chiral 3D Co(ii) metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6917","6923","10.1039/c8dt00600h","","","0.71073","MoKα","","0.0467","0.0418","","","0.1244","0.1293","","","","","","1.069","","","","has coordinates","229699","2020-10-21","18:00:00",""
"7045968","8.979","0.004","12.077","0.005","16.673","0.007","90","","90","","90","","1808","1.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H22 Cl6 Co N2 -","- C8 H22 Cl6 Co N2 -","- C32 H88 Cl24 Co4 N8 -","4","1","","Hua, Xiu-Ni; Huang, Chao-Ran; Gao, Ji-Xing; Lu, Yang; Chen, Xiao-Gang; Liao, Wei-Qiang","High-temperature reversible phase transitions and exceptional dielectric anomalies in cobalt(ii) based ionic crystals: [Me<sub>3</sub>NCH<sub>2</sub>X]<sub>2</sub>[CoX<sub>4</sub>] (X = Cl and Br).","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6218","6224","10.1039/c8dt00786a","","","0.71073","MoKα","","0.0555","0.05","","","0.1065","0.1153","","","","","","1.028","","","","has coordinates","229549","2020-10-21","18:00:00",""
"7046203","28.5012","0.0014","5.7094","0.0003","10.1021","0.0005","90","","90","","90","","1643.86","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Fe N2 -","- C20 H22 Fe N2 -","- C80 H88 Fe4 N8 -","4","1","","Hanft, Anna; Lichtenberg, Crispin","Aminotroponiminates: ligand-centred, reversible redox events under oxidative conditions in sodium and bismuth complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10578","10589","10.1039/c8dt01019f","","","0.71073","MoKα","","0.1127","0.097","","","0.2235","0.2314","","","","","","1.063","","","","has coordinates,has disorder","229823","2020-10-21","18:00:00",""
"7046233","17.8325","0.0003","18.9575","0.0004","40.311","0.0007","90","","90","","90","","13627.5","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C69 H100 K2 O9 Ti -","- C69 H100 K2 O9 Ti -","- C552 H800 K16 O72 Ti8 -","8","2","","Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki","An anionic η<sup>2</sup>-naphthalene complex of titanium supported by a tripodal [O<sub>3</sub>C] ligand and its reactions with dinitrogen, anthracene and THF.","Dalton transactions (Cambridge, England : 2003)","2018","47","20","6903","6907","10.1039/c8dt01161c","","x-ray","0.71073","MoKα","","0.1216","0.0716","","","0.1265","0.145","","","","","","1.017","","","","has coordinates,has disorder","229707","2020-10-21","18:00:00",""
"7046245","12.3201","0.0002","17.4852","0.0004","34.1897","0.0006","90","","90","","90","","7365.1","0.2","180","0.3","180","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H80 Ca3 I2 O6 Si2 -","- C48 H80 Ca3 I2 O6 Si2 -","- C192 H320 Ca12 I8 O24 Si8 -","4","1","","Wei, Baosheng; Zhang, Wen-Xiong; Xi, Zhenfeng","Well-defined styryl and biphenyl calcium complexes from dilithio compounds and calcium iodide: synthesis, structure and reactivity toward nitrous oxide.","Dalton transactions (Cambridge, England : 2003)","2018","47","36","12540","12545","10.1039/c8dt01046c","","x-ray","0.71073","MoKα","","0.0538","0.0511","","","0.1492","0.152","","","","","","1.142","","","","has coordinates","229918","2020-10-21","18:00:00",""
"7046318","12.7458","0.0002","15.9989","0.0002","24.8594","0.0005","90","","90","","90","","5069.3","0.14","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H56 B F15 N2 -","- C54 H56 B F15 N2 -","- C216 H224 B4 F60 N8 -","4","1","","Niu, Haoyu; Mangan, Robert J.; Protchenko, Andrey V.; Phillips, Nicholas; Unkrig, Wiebke; Friedmann, Christian; Kolychev, Eugene L.; Tirfoin, Rémi; Hicks, Jamie; Aldridge, Simon","Experimental and quantum chemical studies of anionic analogues of N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2018","47","22","7445","7455","10.1039/c8dt01661e","","","1.5418","CuKα","","0.056","0.0521","","0.1392","0.1327","0.1392","","","","","","0.9895","","","","has coordinates","229258","2020-10-21","18:00:00",""
"7046398","9.02228","0.00002","11.9212","0.00002","33.55582","0.00006","90","","90","","90","","3609.14","0.012","120.01","0.1","120.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H59 N O6 -","- C35 H59 N O6 -","- C140 H236 N4 O24 -","4","1","","Cols, Jean-Marie E P; Hill, Victoria G.; Williams, Stella K.; McIntosh, Ruaraidh D.","Aggregated initiators: defining their role in the ROP of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10626","10635","10.1039/c8dt01229f","","x-ray","1.54178","CuKα","","0.0353","0.0352","","","0.0948","0.095","","","","","","1.057","","","","has coordinates","229826","2020-10-21","18:00:00",""
"7046424","11.6332","0.0003","16.9857","0.0006","23.8858","0.0008","90","","90","","90","","4719.8","0.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H29 F4 Ir N3 O2 P2 S2 -","- C50 H29 F4 Ir N3 O2 P2 S2 -","- C200 H116 F16 Ir4 N12 O8 P8 S8 -","4","1","","Niu, Zhi-Gang; Chen, Jun; Tan, Peng; Sun, Wei; Zheng, You-Xuan; Li, Gao-Nan; Zuo, Jing-Lin","Efficient yellow electroluminescence of four iridium(iii) complexes with benzo[d]thiazole derivatives as main ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8032","8040","10.1039/c8dt01479e","","","0.71073","MoKα","","0.0582","0.0395","","","0.0608","0.0668","","","","","","0.976","","","","has coordinates","229209","2020-10-21","18:00:00",""
"7046439","12.1102","0.0009","13.1182","0.0009","14.8639","0.001","90","","90","","90","","2361.3","0.3","100","2","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 F3 N3 O7 Re S2 -","- C20 H17 F3 N3 O7 Re S2 -","- C80 H68 F12 N12 O28 Re4 S8 -","4","1","","Hallett, Andrew J.; Placet, Emeline; Prieux, Roxane; McCafferty, Danielle; Platts, James A.; Lloyd, David; Isaacs, Marc; Hayes, Anthony J.; Coles, Simon J.; Pitak, Mateusz B.; Marchant, Sarah; Marriott, Stephen N.; Allemann, Rudolf K.; Dervisi, Athanasia; Fallis, Ian A.","Exploring the cellular uptake and localisation of phosphorescent rhenium fac-tricarbonyl metallosurfactants as a function of lipophilicity.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14241","14253","10.1039/c8dt00669e","","","0.71075","MoKα","","0.0261","0.0258","","","0.0655","0.0657","","","","","","1.043","","","","has coordinates","229736","2020-10-21","18:00:00",""
"7046471","9.6206","0.0002","11.6272","0.0002","16.5733","0.0003","90","","90","","90","","1853.9","0.06","223","","223","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N Ni O P -","- C19 H21 Cl N Ni O P -","- C76 H84 Cl4 N4 Ni4 O4 P4 -","4","1","","Asano, Erika; Hatayama, Yuki; Kurisu, Nobutaka; Ohtani, Atsufumi; Hashimoto, Toru; Kurihara, Youji; Ueda, Kazuyoshi; Ishihara, Shinji; Nagao, Hirotaka; Yamaguchi, Yoshitaka","Acetylacetonato-based pincer-type nickel(ii) complexes: synthesis and catalysis in cross-couplings of aryl chlorides with aryl Grignard reagents.","Dalton transactions (Cambridge, England : 2003)","2018","47","24","8003","8012","10.1039/c8dt01295d","","","0.71073","MoKα","","0.0246","0.021","","","0.0542","0.055","","","","","","1.076","","","","has coordinates","229230","2020-10-21","18:00:00",""
"7046496","10.389","0.004","15.52","0.007","16.805","0.005","90","","90","","90","","2709.6","1.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Na O3 -","- C31 H39 Na O3 -","- C124 H156 Na4 O12 -","4","1","","Vrána, Jan; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","New synthetic strategies leading to [RNPNR]<sup>-</sup> anions and the isolation of the [P(Nt-Bu)<sub>3</sub>]<sup>3-</sup> trianion.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8434","8441","10.1039/c8dt02141d","","","0.71073","MoKα","","0.1346","0.0742","","","0.1459","0.1728","","","","","","1.111","","","","has coordinates,has disorder","229654","2020-10-21","18:00:00",""
"7046508","11.2291","0.0009","15.8955","0.0012","17.3816","0.0013","90","","90","","90","","3102.5","0.4","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Br2 N Ni O P2 -","- C30 H33 Br2 N Ni O P2 -","- C120 H132 Br8 N4 Ni4 O4 P8 -","4","1","","Hong, Changwen; Sui, Xuelin; Li, Ziqian; Pang, Wenmin; Chen, Min","Phosphine phosphonic amide nickel catalyzed ethylene polymerization and copolymerization with polar monomers.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8264","8267","10.1039/c8dt01018h","","","0.71073","MoKα","","0.083","0.0526","","","0.1357","0.1553","","","","","","1.094","","","","has coordinates,has disorder","229665","2020-10-21","18:00:00",""
"7046521","11.931","0.002","16.962","0.003","19.244","0.004","90","","90","","90","","3894.5","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H35 Cl3 Cu N P2 -","- C44 H35 Cl3 Cu N P2 -","- C176 H140 Cl12 Cu4 N4 P8 -","4","1","","Liu, Li-Ping; Li, Qian; Xiang, Song-Po; Liu, Li; Zhong, Xin-Xin; Liang, Chen; Li, Guang Hua; Hayat, Tasawar; Alharbi, Njud S.; Li, Fa-Bao; Zhu, Nian-Yong; Wong, Wai-Yeung; Qin, Hai-Mei; Wang, Lei","Near-saturated red emitters: four-coordinate copper(i) halide complexes containing 8-(diphenylphosphino)quinoline and 1-(diphenylphosphino)naphthalene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9294","9302","10.1039/c7dt04528j","","","0.71073","MoKα","","0.0755","0.0586","","","0.1546","0.1644","","","","","","1.063","","","","has coordinates","229192","2020-10-21","18:00:00",""
"7046522","12.037","0.002","17.027","0.003","19.224","0.004","90","","90","","90","","3940","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H35 Br Cl2 Cu N P2 -","- C44 H35 Br Cl2 Cu N P2 -","- C176 H140 Br4 Cl8 Cu4 N4 P8 -","4","1","","Liu, Li-Ping; Li, Qian; Xiang, Song-Po; Liu, Li; Zhong, Xin-Xin; Liang, Chen; Li, Guang Hua; Hayat, Tasawar; Alharbi, Njud S.; Li, Fa-Bao; Zhu, Nian-Yong; Wong, Wai-Yeung; Qin, Hai-Mei; Wang, Lei","Near-saturated red emitters: four-coordinate copper(i) halide complexes containing 8-(diphenylphosphino)quinoline and 1-(diphenylphosphino)naphthalene ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","28","9294","9302","10.1039/c7dt04528j","","","0.71073","MoKα","","0.0732","0.0455","","","0.0922","0.1014","","","","","","1.04","","","","has coordinates,has disorder","229192","2020-10-21","18:00:00",""
"7046550","13.2573","0.0014","14.8359","0.0016","15.4478","0.0017","90","","90","","90","","3038.3","0.6","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H48 N2 Si2 U -","- C26 H48 N2 Si2 U -","- C104 H192 N8 Si8 U4 -","4","1","","Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Kelley, Steven P.; Walensky, Justin R.","Four-electron reduction chemistry using a uranium(iii) phosphido complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","25","8189","8192","10.1039/c8dt01406j","","","0.71073","MoKα","","0.0268","0.025","","","0.0628","0.0636","","","","","","1.069","","","","has coordinates,has disorder","229664","2020-10-21","18:00:00",""
"7046668","9.4704","0.0003","16.8186","0.0005","22.8415","0.0007","90","","90","","90","","3638.17","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 Br2 Fe N5 -","- C36 H53 Br2 Fe N5 -","- C144 H212 Br8 Fe4 N20 -","4","1","","Milocco, Francesca; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Ferrate(ii) complexes with redox-active formazanate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8817","8823","10.1039/c8dt01597j","","","0.71073","MoKα","","0.0197","0.0165","","","0.0371","0.0381","","","","","","1.031","","","","has coordinates,has disorder","229517","2020-10-21","18:00:00",""
"7046669","9.1098","0.0005","16.4746","0.0008","23.8401","0.0013","90","","90","","90","","3577.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 Cl2 Fe N5 -","- C36 H53 Cl2 Fe N5 -","- C144 H212 Cl8 Fe4 N20 -","4","1","","Milocco, Francesca; Demeshko, Serhiy; Meyer, Franc; Otten, Edwin","Ferrate(ii) complexes with redox-active formazanate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","26","8817","8823","10.1039/c8dt01597j","","","0.71073","MoKα","","0.0273","0.0233","","","0.054","0.0556","","","","","","1.048","","","","has coordinates","229517","2020-10-21","18:00:00",""
"7046722","11.1352","0.0004","17.7158","0.0008","23.1421","0.0009","90","","90","","90","","4565.2","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H69 N O2 Zr -","- C50 H69 N O2 Zr -","- C200 H276 N4 O8 Zr4 -","4","1","","Zhang, Yu; Wang, Xinxin; Wang, Yaorong; Yuan, Dan; Yao, Yingming","Hydrophosphination of alkenes and alkynes with primary phosphines catalyzed by zirconium complexes bearing aminophenolato ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","27","9090","9095","10.1039/c8dt02122h","","","0.71073","MoKα","","0.1054","0.0677","","","0.1567","0.1765","","","","","","1.051","","","","has coordinates","229329","2020-10-21","18:00:00",""
"7046787","17.427","0.0002","22.7852","0.0008","25.235","0.0007","90","","90","","90","","10020.3","0.5","298","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H19 N3 O26 Zn4 -","- C45 H19 N2 O26 Zn4 -","- C180 H76 N8 O104 Zn16 -","4","1","","Ma, Aiqing; Wu, Jian; Han, Yutong; Chen, Fuming; Li, Baohong; Cai, Shaoge; Huang, Hui; Singh, Amita; Kumar, Abhinav; Liu, Jianqiang","Rational synthesis of a luminescent uncommon (3,4,6)-c connected Zn(ii) MOF: a dual channel sensor for the detection of nitroaromatics and ferric ions.","Dalton transactions (Cambridge, England : 2003)","2018","47","29","9627","9633","10.1039/c8dt01923a","","","1.54184","CuKα","","0.077","0.0479","","","0.1168","0.1322","","","","","","1.094","","","","has coordinates","229167","2020-10-21","18:00:00",""
"7046859","9.3504","0.0001","9.8469","0.0001","22.5631","0.0003","90","","90","","90","","2077.44","0.04","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H34 N3 O3 P S -","- C17 H34 N3 O3 P S -","- C68 H136 N12 O12 P4 S4 -","4","1","","Buß, Florenz; Rotering, Philipp; Mück-Lichtenfeld, Christian; Dielmann, Fabian","Crystalline, room-temperature stable phosphine-SO<sub>2</sub> adducts: generation of sulfur monoxide from sulfur dioxide.","Dalton transactions (Cambridge, England : 2003)","2018","47","31","10420","10424","10.1039/c8dt01484a","","","0.71073","MoKα","","0.0223","0.0219","","","0.0607","0.061","","","","","","1.097","","","","has coordinates","229829","2020-10-21","18:00:00",""
"7046919","25.933","0.003","26.147","0.003","26.188","0.003","90","","90","","90","","17757","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H144 Ce K N2 O22 Si4 -","- C66 H144 Ce K N2 O22 Si4 -","- C528 H1152 Ce8 K8 N16 O176 Si32 -","8","2","","Friedrich, Jochen; Qiao, Yusen; Maichle-Mössmer, Cäcilia; Schelter, Eric J.; Anwander, Reiner","Redox-enhanced hemilability of a tris(tert-butoxy)siloxy ligand at cerium.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10113","10123","10.1039/c8dt01878b","","","0.71073","MoKα","","0.0461","0.0401","","","0.086","0.0896","","","","","","1.027","","","","has coordinates,has disorder","229805","2020-10-21","18:00:00",""
"7046946","17.8378","0.0009","18.8895","0.0008","22.3559","0.001","90","","90","","90","","7532.8","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C74 H71 Cl11 N4 O2 P2 Pt2 -","- C74 H71 Cl11 N4 O2 P2 Pt2 -","- C296 H284 Cl44 N16 O8 P8 Pt8 -","4","1","","Zhang, Xiao-Peng; Wang, Li-Li; Qi, Xiao-Wei; Zhang, Da-Shuai; Yang, Qian-Ying; Shi, Zai-Feng; Lin, Qiang; Wu, Tao","PtPt interaction triggered tuning of circularly polarized luminescence activity in chiral dinuclear platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10179","10186","10.1039/c8dt02277a","","","0.71073","MoKα","","0.0598","0.0404","","","0.0823","0.0893","","","","","","1.001","","","","has coordinates","229814","2020-10-21","18:00:00",""
"7046948","17.8626","0.0006","18.8915","0.0006","22.3609","0.0006","90","","90","","90","","7545.7","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C74 H71 Cl11 N4 O2 P2 Pt2 -","- C74 H71 Cl11 N4 O2 P2 Pt2 -","- C296 H284 Cl44 N16 O8 P8 Pt8 -","4","1","","Zhang, Xiao-Peng; Wang, Li-Li; Qi, Xiao-Wei; Zhang, Da-Shuai; Yang, Qian-Ying; Shi, Zai-Feng; Lin, Qiang; Wu, Tao","PtPt interaction triggered tuning of circularly polarized luminescence activity in chiral dinuclear platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","30","10179","10186","10.1039/c8dt02277a","","","0.71073","MoKα","","0.0609","0.0434","","","0.0873","0.0946","","","","","","1.002","","","","has coordinates","229814","2020-10-21","18:00:00",""
"7047063","13.9241","0.0013","18.1629","0.0017","25.815","0.002","90","","90","","90","","6528.7","1","100","2","100","2","","","101.3","","","","Synthesis","9","P 21 21 21","P 2ac 2ab","19","work","","","- C61 H53 B Cl2 F24 N5 O P Pd -","- C61 H53 B Cl2 F24 N5 O P Pd -","- C244 H212 B4 Cl8 F96 N20 O4 P4 Pd4 -","4","1","","Joseph, M. Cassiem; Swarts, Andrew J.; Mapolie, Selwyn F.","Phenylacetylene polymerisation mediated by cationic cyclometallated palladium(ii) complexes bearing benzylidene 2,6-diisopropylphenylamine and its derivatives as ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12209","12217","10.1039/c8dt02728e","","x-ray","0.71073","MoKα","","0.0481","0.0444","","","0.1054","0.1084","","","","","","1.018","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7047082","10.2153","0.0005","12.7603","0.0007","15.3713","0.0009","90","","90","","90","","2003.65","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 B8 F3 O3 S -","- C10 H23 B8 F3 O3 S -","- C40 H92 B32 F12 O12 S4 -","4","1","","Bakardjiev, Mario; Tok, Oleg L.; RůŽička, Aleš; RůŽičková, Zdeňka; Holub, Josef; Hnyk, Drahomír; Špalt, Zbyněk; Fanfrlík, Jindřich; Štíbr, Bohumil","Methyl camouflage in the ten-vertex closo-dicarbaborane(10) series. Isolation of closo-1,6-R<sub>2</sub>C<sub>2</sub>B<sub>8</sub>Me<sub>8</sub> (R = H and Me) and their monosubstituted analogues.","Dalton transactions (Cambridge, England : 2003)","2018","47","32","11070","11076","10.1039/c8dt02586j","","","0.71073","MoKα","","0.0434","0.0394","","","0.105","0.1087","","","","","","1.046","","","","has coordinates","229374","2020-10-21","18:00:00",""
"7047117","12.5443","0.0003","14.5948","0.0004","15.2113","0.0004","90","","90","","90","","2784.91","0.12","177","","177","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Cl2 N P2 Ti -","- C22 H42 Cl2 N P2 Ti -","- C88 H168 Cl8 N4 P8 Ti4 -","4","1","","Sekiguchi, Yoshiya; Meng, Fanqiang; Tanaka, Hiromasa; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11322","11326","10.1039/c8dt02739k","","","0.71075","MoKα","","0.0453","0.0341","","","0.0533","0.0555","","","","","","1","","","","has coordinates","229419","2020-10-21","18:00:00",""
"7047122","12.9662","0.0003","22.1194","0.0004","22.1259","0.0004","90","","90","","90","","6345.8","0.2","183","","183","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H94 N4 P4 Ti2 -","- C54 H94 N4 P4 Ti2 -","- C216 H376 N16 P16 Ti8 -","4","1","","Sekiguchi, Yoshiya; Meng, Fanqiang; Tanaka, Hiromasa; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","33","11322","11326","10.1039/c8dt02739k","","","0.71075","MoKα","","0.0465","0.0375","","","0.0694","0.0715","","","","","","1.022","","","","has coordinates","229419","2020-10-21","18:00:00",""
"7047276","7.8309","0.0009","18.449","0.002","28.858","0.003","90","","90","","90","","4169.2","0.8","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 Cl Ir N -","- C23 H29 Cl Ir N -","- C184 H232 Cl8 Ir8 N8 -","8","2","","Chen, Houguang Jeremy; Teo, Ronald Hong Xiang; Wong, Jonathan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Challenges in cyclometalation: steric effects leading to competing pathways and η<sup>1</sup>,η<sup>2</sup>-cyclometalated iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13046","13051","10.1039/c8dt02639d","","","0.71073","MoKα","","0.0474","0.0378","","","0.0623","0.0646","","","","","","0.985","","","","has coordinates,has disorder","229296","2020-10-21","18:00:00",""
"7047290","9.743","0.0004","10.313","0.0005","21.734","0.001","90","","90","","90","","2183.82","0.17","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 Cl2 N4 O7 -","- C14 H30 Cl2 N4 O7 -","- C56 H120 Cl8 N16 O28 -","4","1","","Procházková, Soňa; Kubíček, Vojtěch; Kotek, Jan; Vágner, Adrienn; Notni, Johannes; Hermann, Petr","Lanthanide(iii) complexes of monophosphinate/monophosphonate DOTA-analogues: effects of the substituents on the formation rate and radiolabelling yield.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13006","13015","10.1039/c8dt02608d","","","0.71073","MoKα","","0.062","0.0439","","","0.098","0.108","","","","","","1.067","","","","has coordinates","229308","2020-10-21","18:00:00",""
"7047336","10.9699","0.0003","17.276","0.0004","32.6586","0.0009","90","","90","","90","","6189.3","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H44 Si2 Zr2 -","- C31 H44 Si2 Zr2 -","- C248 H352 Si16 Zr16 -","8","2","","Trose, M.; Reiß, M; Reiß, F; Anke, F.; Spannenberg, A.; Boye, S.; Lederer, A.; Arndt, P.; Beweries, T.","Dehydropolymerisation of methylamine borane using a dinuclear 1,3-allenediyl bridged zirconocene complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","12858","12862","10.1039/c8dt03311k","","","0.71073","MoKα","","0.0294","0.0252","","","0.0526","0.0545","","","","","","1.033","","","","has coordinates","229306","2020-10-21","18:00:00",""
"7047358","11.036","0.002","21.134","0.004","28.094","0.006","90","","90","","90","","6552","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[Sm(2,2,2-crypt){CH[N(Dipp)]2}[CH[N(Dipp)]2]","","- C68 H106 N6 O6 Sm -","- C68 H106 N6 O6 Sm -","- C272 H424 N24 O24 Sm4 -","4","1","","Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.","Synthesis and reactivity of rare-earth metal phosphaethynolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13016","13024","10.1039/c8dt03427c","","","1.54184","CuKα","","0.026","0.0248","","","0.0586","0.0593","","","","","","1.021","","","","has coordinates,has disorder","229301","2020-10-21","18:00:00",""
"7047362","11.0116","0.0001","20.7007","0.0002","28.2458","0.0003","90","","90","","90","","6438.57","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[Sm(18-crown-6)(THF)CH[N(Dipp)]2][CH[N(Dipp)]2]","","- C66 H102 N4 O7 Sm -","- C66 H102 N4 O7 Sm -","- C264 H408 N16 O28 Sm4 -","4","1","","Bestgen, Sebastian; Chen, Qien; Rees, Nicholas H.; Goicoechea, Jose M.","Synthesis and reactivity of rare-earth metal phosphaethynolates.","Dalton transactions (Cambridge, England : 2003)","2018","47","37","13016","13024","10.1039/c8dt03427c","","","1.54184","CuKα","","0.0477","0.0418","","","0.0999","0.1047","","","","","","1.039","","","","has coordinates","229301","2020-10-21","18:00:00",""
"7047400","12.413","0.003","15.526","0.003","15.772","0.003","90","","90","","90","","3039.6","1.1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 Cl3 Cr N3 -","- C32 H39 Cl3 Cr N3 -","- C128 H156 Cl12 Cr4 N12 -","4","1","","Huang, Chuanbing; Huang, Yongfeng; Ma, Yanping; Solan, Gregory A.; Sun, Yang; Hu, Xinquan; Sun, Wen-Hua","Cycloheptyl-fused N,N,N'-chromium catalysts with selectivity for vinyl-terminated polyethylene waxes: thermal optimization and polymer functionalization.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13487","13497","10.1039/c8dt03052a","","","0.710747","MoKα","","0.0453","0.043","","","0.1125","0.1256","","","","","","1.072","","","","has coordinates","230032","2020-10-21","18:00:00",""
"7047402","7.576","0.003","13.264","0.004","20.195","0.004","90","","90","","90","","2029.4","1.1","280","2","280","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl5 N2 Sb -","- C12 H28 Cl5 N2 Sb -","- C48 H112 Cl20 N8 Sb4 -","4","1","","Moskwa, Marcin; Bator, Grażyna; Rok, Magdalena; Medycki, Wojciech; Miniewicz, Andrzej; Jakubas, Ryszard","Investigations of organic-inorganic hybrids based on homopiperidinium cation with haloantimonates(iii) and halobismuthates(iii). Crystal structures, reversible phase transitions, semiconducting and molecular dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13507","13522","10.1039/c8dt03121e","","","0.71073","MoKα","","0.0506","0.0458","","","0.1154","0.1244","","","","","","1.103","","","","has coordinates,has disorder","230021","2020-10-21","18:00:00",""
"7047405","7.478","0.004","13.246","0.002","19.854","0.002","90","","90","","90","","1966.6","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl5 N2 Sb -","- C12 H28 Cl5 N2 Sb -","- C48 H112 Cl20 N8 Sb4 -","4","1","","Moskwa, Marcin; Bator, Grażyna; Rok, Magdalena; Medycki, Wojciech; Miniewicz, Andrzej; Jakubas, Ryszard","Investigations of organic-inorganic hybrids based on homopiperidinium cation with haloantimonates(iii) and halobismuthates(iii). Crystal structures, reversible phase transitions, semiconducting and molecular dynamic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13507","13522","10.1039/c8dt03121e","","","0.71073","MoKα","","0.0281","0.0277","","","0.0666","0.067","","","","","","1.055","","","","has coordinates,has disorder","230021","2020-10-21","18:00:00",""
"7047422","11.509","0.004","13.941","0.004","18.125","0.006","90","","90","","90","","2908.1","1.6","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H41 B10 Ir2 O -","- C23 H41 B10 Ir2 O -","- C92 H164 B40 Ir8 O4 -","4","1","","Guo, Shu-Ting; Cui, Peng-Fei; Gao, Yang; Jin, Guo-Xin","Regioselective B-H/C-H activation and metal-metal bond formation induced by half-sandwich metals complexes at hydroxy-substituted o-carboranes.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13641","13646","10.1039/c8dt03104e","","","0.71073","MoKα","","0.058","0.0448","","","0.1325","0.1442","","","","","","1.1","","","","has coordinates","230018","2020-10-21","18:00:00",""
"7047427","11.2061","0.0005","23.9366","0.0011","31.4661","0.0014","90","","90","","90","","8440.3","0.7","143","","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C99 H111 Eu N6 O9 -","- C99 H111 Eu N6 O9 -","- C396 H444 Eu4 N24 O36 -","4","1","","Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14408","14410","10.1039/c8dt03335h","","","0.71073","MoKα","","0.1959","0.0683","","","0.1196","0.1592","","","","","","0.956","","","","has coordinates","229350","2020-10-21","18:00:00",""
"7047432","19.8683","0.0007","20.032","0.0007","21.055","0.0007","90","","90","","90","","8379.9","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H87 La N6 O6 -","- C87 H87 La N6 O6 -","- C348 H348 La4 N24 O24 -","4","1","","Panetti, Grace B.; Robinson, Jerome R.; Carroll, Patrick J.; Gau, Michael R.; Manor, Brian C.; Walsh, Patrick J.; Schelter, Eric J.","Synthesis of novel copper-rare earth BINOLate frameworks from a hydrogen bonding DBU-H rare earth BINOLate complex.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14408","14410","10.1039/c8dt03335h","","","0.71073","MoKα","","0.1031","0.078","","","0.2161","0.2499","","","","","","1.048","","","","has coordinates","229350","2020-10-21","18:00:00",""
"7047445","6.5725","0.0005","10.1493","0.0007","31.853","0.002","90","","90","","90","","2124.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Mn N2 O9 -","- C20 H22 Mn N2 O9 -","- C80 H88 Mn4 N8 O36 -","4","1","","Guan, Guo-Xiu; Guo, Wei-Xiao; Liu, Xu; Yue, Qi; Gao, En-Qing","Homochiral coordination polymers constructed from V-shaped oxybisbenzoyl-based amino acid derivatives: structures, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13990","14000","10.1039/c8dt03093f","","","0.71073","MoKα","","0.0364","0.0303","","","0.0718","0.0747","","","","","","1.027","","","","has coordinates","229492","2020-10-21","18:00:00",""
"7047447","6.3508","0.0009","10.4298","0.0014","31.772","0.004","90","","90","","90","","2104.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Co N2 O9 -","- C20 H22 Co N2 O9 -","- C80 H88 Co4 N8 O36 -","4","1","","Guan, Guo-Xiu; Guo, Wei-Xiao; Liu, Xu; Yue, Qi; Gao, En-Qing","Homochiral coordination polymers constructed from V-shaped oxybisbenzoyl-based amino acid derivatives: structures, magnetic and photoluminescence properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13990","14000","10.1039/c8dt03093f","","","0.71073","MoKα","","0.0583","0.0379","","","0.0698","0.0766","","","","","","1.016","","","","has coordinates","229492","2020-10-21","18:00:00",""
"7047460","11.2061","0.0005","23.9366","0.0011","31.4661","0.0014","90","","90","","90","","8440.3","0.7","143","","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C99 H111 Eu N6 O9 -","- C99 H111 Eu N6 O9 -","- C396 H444 Eu4 N24 O36 -","4","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.1959","0.0683","","","0.1196","0.1592","","","","","","0.956","","","","has coordinates","229488","2020-10-21","18:00:00",""
"7047465","19.8683","0.0007","20.032","0.0007","21.055","0.0007","90","","90","","90","","8379.9","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H87 La N6 O6 -","- C87 H87 La N6 O6 -","- C348 H348 La4 N24 O24 -","4","1","","Xiong, Jun; Kubo, Kazuya; Lü, Shao-Fang; Li, Ming; Nakamura, Takayoshi","Supramolecular self-assembly for designing non-centrosymmetric crystals based on Keggin polyoxometallates and crown ether.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","14001","14007","10.1039/c8dt02910e","","","0.71073","MoKα","","0.1031","0.078","","","0.2161","0.2499","","","","","","1.048","","","","has coordinates","229488","2020-10-21","18:00:00",""
"7047468","10.10986","0.00014","20.1309","0.0002","22.7725","0.0002","90","","90","","90","","4634.67","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 O2 Y2 -","- C47 H82 O2 Y2 -","- C188 H328 O8 Y8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","1.54184","CuKα","","0.0281","0.025","","","0.0601","0.0619","","","","","","1.027","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047473","10.0804","0.0003","20.1583","0.0006","22.4603","0.0007","90","","90","","90","","4564","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 Lu2 O2 -","- C47 H82 Lu2 O2 -","- C188 H328 Lu8 O8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","1.54184","CuKα","","0.0393","0.0329","","","0.0752","0.0787","","","","","","1.026","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047474","10.1181","0.0005","20.1122","0.0009","22.9975","0.001","90","","90","","90","","4679.9","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 Gd2 O2 -","- C47 H82 Gd2 O2 -","- C188 H328 Gd8 O8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","1.54184","CuKα","","0.0473","0.0398","","","0.0796","0.0831","","","","","","1.023","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047475","10.0818","0.0002","20.127","0.0004","22.62","0.0004","90","","90","","90","","4589.97","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 Er2 O2 -","- C47 H82 Er2 O2 -","- C188 H328 Er8 O8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.0319","0.0253","","","0.045","0.047","","","","","","1.093","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047476","10.0948","0.0006","20.1399","0.0008","22.7545","0.0009","90","","90","","90","","4626.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 Ho2 O2 -","- C47 H82 Ho2 O2 -","- C188 H328 Ho8 O8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","1.54184","CuKα","","0.0523","0.0417","","","0.0901","0.095","","","","","","1.048","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047477","10.0795","0.0002","20.1224","0.0003","22.5603","0.0004","90","","90","","90","","4575.76","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 O2 Tm2 -","- C47 H82 O2 Tm2 -","- C188 H328 O8 Tm8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.0324","0.0262","","","0.0539","0.0564","","","","","","1.106","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047478","10.0863","0.00014","20.113","0.0002","22.8082","0.0003","90","","90","","90","","4627","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 Dy2 O2 -","- C47 H82 Dy2 O2 -","- C188 H328 Dy8 O8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","1.54184","CuKα","","0.0283","0.0254","","","0.0596","0.0611","","","","","","1.028","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047480","10.1015","0.0003","20.1033","0.0006","22.8992","0.0007","90","","90","","90","","4650.2","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 O2 Tb2 -","- C47 H82 O2 Tb2 -","- C188 H328 O8 Tb8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","0.71073","MoKα","","0.0428","0.033","","","0.0703","0.0747","","","","","","1.049","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047481","10.09676","0.00006","20.06909","0.0001","22.20033","0.00015","90","","90","","90","","4498.51","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H82 O2 Sc2 -","- C47 H82 O2 Sc2 -","- C188 H328 O8 Sc8 -","4","1","","Raeder, Jan; Reiners, Matthias; Baumgarten, Robert; Münster, Katharina; Baabe, Dirk; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14468","14482","10.1039/c8dt03123a","","","1.54184","CuKα","","0.0292","0.0282","","","0.073","0.0739","","","","","","1.031","","","","has coordinates,has disorder","229352","2020-10-21","18:00:00",""
"7047506","13.86","0.004","14.896","0.005","15.506","0.005","90","","90","","90","","3201.3","1.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 B2 N9 O2 Sc -","- C33 H32 B2 N9 O2 Sc -","- C132 H128 B8 N36 O8 Sc4 -","4","1","","Beh, Daniel W.; Piers, Warren E.; Del Rosal, Iker; Maron, Laurent; Gelfand, Benjamin S.; Gendy, Chris; Lin, Jian-Bin","Scandium alkyl and hydride complexes supported by a pentadentate diborate ligand: reactions with CO<sub>2</sub> and N<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2018","47","38","13680","13688","10.1039/c8dt03313g","","","0.71073","MoKα","","0.1389","0.0646","","","0.1149","0.1452","","","","","","1.013","","","","has coordinates","230010","2020-10-21","18:00:00",""
"7047523","14.3557","0.0009","24.1536","0.0015","33.691","0.002","90","","90","","90","","11682.1","1.2","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C99 H109 Cd3 N15 O38 -","- C99 H75 Cd3 N15 O26 -","- C396 H300 Cd12 N60 O104 -","4","1","","Pandey, Saurabh; Kumar, Pramod; Gupta, Rajeev","Polymerization led selective detection and removal of Zn<sup>2+</sup> and Cd<sup>2+</sup> ions: isolation of Zn- and Cd-MOFs and reversibility studies.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14686","14695","10.1039/c8dt01956h","","","0.71073","MoKα","","0.0648","0.0548","","","0.1439","0.1554","","","","","","1.084","","","","has coordinates","229354","2020-10-21","18:00:00",""
"7047575","11.738","0.0011","15.611","0.002","18.0809","0.0018","90","","90","","90","","3313.2","0.6","116","2","116","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H56 N4 Ni O P2 -","- C29 H56 N4 Ni O P2 -","- C116 H224 N16 Ni4 O4 P8 -","4","1","","Yao, Changguang; Chakraborty, Priyanka; Aresu, Emanuele; Li, Huaifeng; Guan, Chao; Zhou, Chunhui; Liang, Lan-Chang; Huang, Kuo-Wei","Monomeric nickel hydroxide stabilized by a sterically demanding phosphorus-nitrogen PN<sup>3</sup>P-pincer ligand: synthesis, reactivity and catalysis.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16057","16065","10.1039/c8dt03403f","","","0.71073","MoKα","","0.1058","0.0557","","","0.1311","0.17","","","","","","0.918","","","","has coordinates","229953","2020-10-21","18:00:00",""
"7047662","8.3231","0.0019","18.979","0.004","19.558","0.004","90","","90","","90","","3089.5","1.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H47 B Ge N4 O -","- C33 H47 B Ge N4 O -","- C132 H188 B4 Ge4 N16 O4 -","4","1","","Böserle, Jiří; Zhigulin, Grigory; Ketkov, Sergey; Jambor, Roman; RůŽička, Aleš; Dostál, Libor","Diverse reactivity of a boraguanidinato germylene toward organic pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","14880","14883","10.1039/c8dt03357a","","","0.71073","MoKα","","0.1249","0.1063","","","0.2785","0.2857","","","","","","1.217","","","","has coordinates","229477","2020-10-21","18:00:00",""
"7047717","9.746","0.005","15.225","0.008","15.88","0.009","90","","90","","90","","2356","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H41 Al Mg O2 -","- C21 H41 Al Mg O2 -","- C84 H164 Al4 Mg4 O8 -","4","1","","Stuhl, Christoph; Katzenmayer, Markus M.; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Donor-stabilised molecular Mg/Al-bimetallic hydrides.","Dalton transactions (Cambridge, England : 2003)","2018","47","42","15173","15180","10.1039/c8dt03343a","","","0.71073","MoKα","","0.0331","0.0313","","","0.0837","0.0854","","","","","","1.075","","","","has coordinates","229476","2020-10-21","18:00:00",""
"7047767","10.612","0.0001","17.1552","0.0002","23.73","0.0003","90","","90","","90","","4320.07","0.08","122.95","0.18","122.95","0.18","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H15 Al Cu F36 N5 O4 -","- C26 H15 Al Cu F36 N5 O4 -","- C104 H60 Al4 Cu4 F144 N20 O16 -","4","1","","Elsayed Moussa, Mehdi; Piesch, Martin; Fleischmann, Martin; Schreiner, Andrea; Seidl, Michael; Scheer, Manfred","Highly soluble Cu(i)-acetonitrile salts as building blocks for novel phosphorus-rich organometallic-inorganic compounds.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16031","16035","10.1039/c8dt03723j","","x-ray","1.54184","CuKα","","0.0334","0.0311","","","0.079","0.081","","","","","","1.046","","","","has coordinates,has disorder","229961","2020-10-21","18:00:00",""
"7047804","10.1814","0.0003","13.3856","0.0004","37.3018","0.0012","90","","90","","90","","5083.6","0.3","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H56 N8 O2 Zn2 -","- C56 H56 N8 O2 Zn2 -","- C224 H224 N32 O8 Zn8 -","4","1","","Daneshmand, Pargol; Michalsky, Ina; Aguiar, Pedro M.; Schaper, Frank","Configurationally flexible zinc complexes as catalysts for rac-lactide polymerisation.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16279","16291","10.1039/c8dt02562b","","","1.34139","GaKα","","0.0326","0.0301","","","0.075","0.0765","","","","","","1.054","","","","has coordinates","229968","2020-10-21","18:00:00",""
"7047842","7.2283","0.0004","10.467","0.0004","11.1858","0.0007","90","","90","","90","","846.3","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ZJU-129","","- C5 H11 N O6 Zn -","- C5 H11 N O6 Zn -","- C20 H44 N4 O24 Zn4 -","4","1","","Lin, Wenxin; Cui, Yuanjing; Yang, Yu; Hu, Quan; Qian, Guodong","A biocompatible metal-organic framework as a pH and temperature dual-responsive drug carrier.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15882","15887","10.1039/c8dt03202e","","","0.71073","MoKα","","0.0169","0.016","","","0.0428","0.0433","","","","","","1.011","","","","has coordinates","229283","2020-10-21","18:00:00",""
"7047859","13.4462","0.0015","13.5404","0.0016","35.104","0.004","90","","90","","90","","6391.3","1.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H92 N9 O25 S4 V5 -","- C38 H92 N9 O25 S4 V5 -","- C152 H368 N36 O100 S16 V20 -","4","1","","Ignaszak, Anna; Patterson, Nigel; Radtke, Mariusz; Elsegood, Mark R. J.; Frese, Josef W. A.; Lipman, Joah L. Z. F.; Yamato, Takehiko; Sanz, Sergio; Brechin, Euan K.; Prior, Timothy J.; Redshaw, Carl","Vanadyl sulfates: molecular structure, magnetism and electrochemical activity.","Dalton transactions (Cambridge, England : 2003)","2018","47","44","15983","15993","10.1039/c8dt03626h","","","0.71073","MoKα","","0.0407","0.0348","","","0.0803","0.0826","","","","","","1.078","","","","has coordinates,has disorder","229276","2020-10-21","18:00:00",""
"7047878","7.893","0.0002","16.179","0.0004","19.596","0.0007","90","","90","","90","","2502.43","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H39 Cl2 Cu2 P3 -","- C18 H39 Cl2 Cu2 P3 -","- C72 H156 Cl8 Cu8 P12 -","4","1","","Wickramatunga, Lenali V.; Pothupitiya, Thusith K.; Chevalier, Edith; Kariuki, Benson M.; Liyanage, Sudantha S.; Newman, Paul D.; Edwards, Peter G.","Halide and substituent dependent structural variation in copper(i) halide complexes of 1,5,9-triphosphacyclododecanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16126","16131","10.1039/c8dt03072c","","","0.71073","MoKα","","0.0791","0.052","","","0.0919","0.1025","","","","","","1.036","","","","has coordinates","229955","2020-10-21","18:00:00",""
"7047883","8.7892","0.0004","12.9061","0.0006","19.9507","0.0009","90","","90","","90","","2263.09","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H33 Br2 Cu2 P3 -","- C15 H33 Br2 Cu2 P3 -","- C60 H132 Br8 Cu8 P12 -","4","1","","Wickramatunga, Lenali V.; Pothupitiya, Thusith K.; Chevalier, Edith; Kariuki, Benson M.; Liyanage, Sudantha S.; Newman, Paul D.; Edwards, Peter G.","Halide and substituent dependent structural variation in copper(i) halide complexes of 1,5,9-triphosphacyclododecanes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16126","16131","10.1039/c8dt03072c","","","1.54184","CuKα","","0.0361","0.0335","","","0.0891","0.0921","","","","","","1.05","","","","has coordinates,has disorder","229955","2020-10-21","18:00:00",""
"7047895","4.7922","0.0001","13.7718","0.0003","20.841","0.0006","90","","90","","90","","1375.45","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H9 F5 N2 -","- C17 H9 F5 N2 -","- C68 H36 F20 N8 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.0797","0.0503","","","0.1094","0.1181","","","","","","0.982","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047898","13.5296","0.0004","15.0823","0.0005","19.7874","0.0006","90","","90","","90","","4037.8","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H54 N4 O -","- C46 H54 N4 O -","- C184 H216 N16 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T.","New phenyl‒nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene","Dalton Transactions","2018","","","","","10.1039/C8DT02824A","","x-ray","0.71073","MoKα","","0.051","0.0366","","","0.077","0.0816","","","","","","1.015","","","","has coordinates","211649","2020-10-21","18:00:00",""
"7047943","9.2541","0.0004","13.9651","0.0006","17.909","0.0009","90","","90","","90","","2314.46","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-azonia-spiro[4,4]nonane tetrabromomanganese","","- C16 H32 Br4 Mn N2 -","- C16 H32 Br4 Mn N2 -","- C64 H128 Br16 Mn4 N8 -","4","1","","Xu, Li; Gao, Ji-Xing; Chen, Xiao-Gang; Hua, Xiu-Ni; Liao, Wei-Qiang","A temperature-triggered triplex bistable switch in a hybrid multifunctional material: [(CH<sub>2</sub>)<sub>4</sub>N(CH<sub>2</sub>)<sub>4</sub>]<sub>2</sub>[MnBr<sub>4</sub>].","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16995","17003","10.1039/c8dt03456g","","","0.71073","MoKα","","0.0815","0.0509","","","0.1167","0.1243","","","","","","1.02","","","","has coordinates","229680","2020-10-21","18:00:00",""
"7047976","10.3368","0.0003","13.5116","0.0007","17.2599","0.0007","90","","90","","90","","2410.63","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H46 N2 P2 -","- C20 H46 N2 P2 -","- C80 H184 N8 P8 -","4","1","","Szynkiewicz, Natalia; Ponikiewski, Łukasz; Grubba, Rafał","Symmetrical and unsymmetrical diphosphanes with diversified alkyl, aryl, and amino substituents.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","16885","16894","10.1039/c8dt03775b","","x-ray","0.71073","MoKα","","0.1232","0.0965","","","0.2623","0.2943","","","","","","1.098","","","","has coordinates,has disorder","229678","2020-10-21","18:00:00",""
"7047997","8.9362","0.0007","11.4735","0.001","12.7458","0.0011","90","","90","","90","","1306.82","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-(piperidin-1-ylmethyl)quinolin-8-ol","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","1","","Pape, Veronika F. S.; May, Nóra V; Gál, G Tamás; Szatmári, István; Szeri, Flóra; Fülöp, Ferenc; Szakács, Gergely; Enyedy, Éva A","Impact of copper and iron binding properties on the anticancer activity of 8-hydroxyquinoline derived Mannich bases.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17032","17045","10.1039/c8dt03088j","","","0.71073","MoKα","","0.0643","0.0527","","","0.1402","0.1493","","","","","","1.119","","","","has coordinates","229689","2020-10-21","18:00:00",""
"7048055","7.593","0.0013","10.1881","0.0018","12.803","0.002","90","","90","","90","","990.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H2 As2 F10 N2 -","- C3 H2 As2 F10 N2 -","- C12 H8 As8 F40 N8 -","4","1","","Saal, Thomas; Christe, Karl O.; Haiges, Ralf","Lewis adduct formation of hydrogen cyanide and nitriles with arsenic and antimony pentafluoride.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","99","106","10.1039/c8dt03970d","","","0.71073","MoKα","","0.0258","0.0207","","","0.0375","0.0387","","","","","","1.055","","","","has coordinates","223941","2020-10-21","18:00:00",""
"7048067","6.4725","0.0002","13.6562","0.0005","31.8638","0.0011","90","","90","","90","","2816.43","0.17","290","","290","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-methyl-2,6-bis(pyrazol-1-yl)pyridine-4-carbothioamide","","- C13 H12 N6 S -","- C13 H12 N6 S -","- C104 H96 N48 S8 -","8","2","","Attwood, Max; Akutsu, Hiroki; Martin, Lee; Cruickshank, Dyanne; Turner, Scott S.","Above room temperature spin crossover in thioamide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","90","98","10.1039/c8dt03240h","","","0.71075","MoKα","","0.0384","0.0325","","","0.0851","0.0884","","","","","","1.024","","","","has coordinates","223936","2020-10-21","18:00:00",""
"7048270","6.6033","0.0008","7.4965","0.0008","18.663","0.003","90","","90","","90","","923.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H10 N4 S4 W -","- H10 N4 S4 W -","- H40 N16 S16 W4 -","4","1","","Mangelsen, Sebastian; Srinivasan, Bikshandarkoil R.; Schürmann, Ulrich; Kienle, Lorenz; Näther, Christian; Bensch, Wolfgang","Nanostructured tungsten sulfides: insights into precursor decomposition and the microstructure using X-ray scattering methods.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1184","1201","10.1039/c8dt04205e","","","0.71073","MoKα","","0.0233","0.0186","","","0.0431","0.0442","","","","","","1.046","","","","has coordinates","224077","2020-10-21","18:00:00",""
"7048303","9.347","0.005","10.065","0.006","28.656","0.016","90","","90","","90","","2696","3","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Cl N2 O P Pd -","- C30 H28 Cl N2 O P Pd -","- C120 H112 Cl4 N8 O4 P4 Pd4 -","4","1","","Liu, Hui; Yuan, Haibin; Shi, Xiaochao","Synthesis of nickel and palladium complexes with diarylamido-based unsymmetrical pincer ligands and application for norbornene polymerization.","Dalton transactions (Cambridge, England : 2003)","2019","48","2","609","617","10.1039/c8dt04413a","","","0.71073","MoKα","","0.0184","0.0178","","","0.0444","0.0446","","","","","","1.199","","","","has coordinates","224122","2020-10-21","18:00:00",""
"7048415","9.1691","0.0003","12.466","0.0004","16.2294","0.0008","90","","90","","90","","1855.05","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Si2 -","- C20 H26 Si2 -","- C80 H104 Si8 -","4","1","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.0363","0.0353","","","0.0965","0.0975","","","","","","1.054","","","","has coordinates","265213","2021-05-14","09:16:02",""
"7048419","10.4796","0.0008","10.8034","0.0011","21.3385","0.0015","90","","90","","90","","2415.8","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 B2 O4 -","- C26 H32 B2 O4 -","- C104 H128 B8 O16 -","4","1","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.0454","0.0417","","","0.1107","0.1134","","","","","","1.051","","","","has coordinates","265213","2021-05-14","09:16:02",""
"7048424","11.3684","0.0004","13.4509","0.0005","21.2477","0.0008","90","","90","","90","","3249.1","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 B2 O4 -","- C34 H48 B2 O4 -","- C136 H192 B8 O16 -","4","1","","John, Alexandra; Kirschner, Sven; Fengel, Melina K.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Simultaneous expansion of 9,10 boron-doped anthracene in longitudinal and lateral directions.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1871","1877","10.1039/c8dt04820g","","","0.71073","MoKα","","0.0409","0.0381","","","0.0947","0.0964","","","","","","1.044","","","","has coordinates","265213","2021-05-14","09:16:02",""
"7048452","7.3597","0.0002","10.2273","0.0002","20.1564","0.0005","90","","90","","90","","1517.17","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O -","- C18 H21 N O -","- C72 H84 N4 O4 -","4","1","","Fischer, Malte; Schwitalla, Kevin; Baues, Svenja; Schmidtmann, Marc; Beckhaus, Ruediger","FLP behaviour of cationic titanium complexes with tridentate Cp,O,N-ligands: highly efficient syntheses and activation reactions of C-X bonds (X = Cl, F).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1516","1523","10.1039/c8dt04707c","","","0.71073","MoKα","","0.0491","0.0401","","","0.0997","0.1055","","","","","","1.043","","","","has coordinates","224072","2020-10-21","18:00:00",""
"7048454","11.5804","0.0003","13.551","0.0004","18.5297","0.0005","90","","90","","90","","2907.79","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H53 N O Ti -","- C34 H53 N O Ti -","- C136 H212 N4 O4 Ti4 -","4","1","","Fischer, Malte; Schwitalla, Kevin; Baues, Svenja; Schmidtmann, Marc; Beckhaus, Ruediger","FLP behaviour of cationic titanium complexes with tridentate Cp,O,N-ligands: highly efficient syntheses and activation reactions of C-X bonds (X = Cl, F).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1516","1523","10.1039/c8dt04707c","","","0.71073","MoKα","","0.0293","0.0255","","","0.0643","0.0664","","","","","","1.058","","","","has coordinates","224072","2020-10-21","18:00:00",""
"7048455","11.5799","0.0003","13.41","0.0003","18.5438","0.0005","90","","90","","90","","2879.6","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 Cl N O Ti -","- C33 H50 Cl N O Ti -","- C132 H200 Cl4 N4 O4 Ti4 -","4","1","","Fischer, Malte; Schwitalla, Kevin; Baues, Svenja; Schmidtmann, Marc; Beckhaus, Ruediger","FLP behaviour of cationic titanium complexes with tridentate Cp,O,N-ligands: highly efficient syntheses and activation reactions of C-X bonds (X = Cl, F).","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1516","1523","10.1039/c8dt04707c","","","0.71073","MoKα","","0.029","0.0275","","","0.0725","0.0733","","","","","","1.093","","","","has coordinates","224072","2020-10-21","18:00:00",""
"7048519","7.1573","0.001","10.8234","0.0016","34.496","0.005","90","","90","","90","","2672.3","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 B11 N S -","- C21 H32 B11 N S -","- C84 H128 B44 N4 S4 -","4","1","","Jin, Hyomin; Bae, Hye Jin; Kim, Seonah; Lee, Ji Hye; Hwang, Hyonseok; Park, Myung Hwan; Lee, Kang Mun","2-Phenylpyridine- and 2-(benzo[b]thiophen-2-yl)pyridine-based o-carboranyl compounds: impact of the structural formation of aromatic rings on photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","4","1467","1476","10.1039/c8dt04367a","","","0.71073","MoKα","","0.1376","0.0689","","","0.1448","0.1756","","","","","","1.048","","","","has coordinates","224079","2020-10-21","18:00:00",""
"7048529","8.7597","0.0002","11.2019","0.0002","25.331","0.0006","90","","90","","90","","2485.61","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Mg{(Me2pz)2CHSiMe2NPh}Bu","","- C23 H35 Mg N5 Si -","- C23 H35 Mg N5 Si -","- C92 H140 Mg4 N20 Si4 -","4","1","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.058","0.0414","","0.0585","0.0406","0.0378","","","","","","1.119","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048530","13.9372","0.0002","15.275","0.0002","20.1552","0.0002","90","","90","","90","","4290.86","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Mg{(tBu2pz)2CHSiMe2NiPr}({N(SiMe3)2}","","- C37 H68 Mg N6 Si3 -","- C37 H68 Mg N6 Si3 -","- C148 H272 Mg4 N24 Si12 -","4","1","","Luna Barros, Mariana; Cushion, Michael G.; Schwarz, Andrew D.; Turner, Zoë R; Mountford, Philip","Magnesium, calcium and zinc [N<sub>2</sub>N'] heteroscorpionate complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4124","4138","10.1039/c8dt04985h","","","0.71073","MoKα","","0.0461","0.0357","","0.0421","0.0372","0.0372","","","","","","1.1189","","","","has coordinates","224283","2020-10-21","18:00:00",""
"7048617","6.999","0.0003","14.0842","0.0006","15.1934","0.0005","90","","90","","90","","1497.69","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Pb(1,4-ndc)DMF]n","","","- C15 H13 N O5 Pb -","- C15 H13 N O5 Pb -","- C60 H52 N4 O20 Pb4 -","4","1","","Lu, Jian; Xin, Xue-Huan; Lin, Yang-Jie; Wang, Shuai-Hua; Xu, Jian-Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Efficient X-ray scintillating lead(ii)-based MOFs derived from rigid luminescent naphthalene motifs.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1722","1731","10.1039/c8dt04587a","","x-ray","0.71073","MoKα","","0.0304","0.0257","","","0.0444","0.0454","","","","","","0.99","","","","has coordinates","223993","2020-10-21","18:00:00",""
"7048618","7.036","0.002","14.584","0.005","15.051","0.005","90","","90","","90","","1544.4","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Pb(1,4-ndc)DMA]n","","","- C16 H15 N O5 Pb -","- C16 H15 N O5 Pb -","- C64 H60 N4 O20 Pb4 -","4","1","","Lu, Jian; Xin, Xue-Huan; Lin, Yang-Jie; Wang, Shuai-Hua; Xu, Jian-Gang; Zheng, Fa-Kun; Guo, Guo-Cong","Efficient X-ray scintillating lead(ii)-based MOFs derived from rigid luminescent naphthalene motifs.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1722","1731","10.1039/c8dt04587a","","","0.71073","MoKα","","0.026","0.0239","","","0.0501","0.0504","","","","","","0.917","","","","has coordinates,has disorder","223993","2020-10-21","18:00:00",""
"7048653","7.8587","0.0004","19.4737","0.0009","30.7593","0.0014","90","","90","","90","","4707.3","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21.5 H35 Cl2 Co N2 P -","- C19 H29 Cl2 Co N2 P -","- C152 H232 Cl16 Co8 N16 P8 -","8","2","","Gradiski, Matthew V.; Tsui, Brian T. H.; Lough, Alan J.; Morris, Robert H.","PNN' & P<sub>2</sub>NN' ligands via reductive amination with phosphine aldehydes: synthesis and base-metal coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2019","48","6","2150","2159","10.1039/c8dt04058c","","","1.54178","CuKα","","0.045","0.0362","","","0.0798","0.0851","","","","","","1.051","","","","has coordinates","224149","2020-10-21","18:00:00",""
"7048655","7.4368","0.0003","13.2521","0.0004","17.6939","0.0006","90","","90","","90","","1743.79","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Au Cl N2 -","- C18 H20 Au Cl N2 -","- C72 H80 Au4 Cl4 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0436","0.0382","","","0.0793","0.0813","","","","","","1.06","","","","has coordinates,has disorder","223995","2020-10-21","18:00:00",""
"7048663","10.6937","0.0004","13.6965","0.0005","14.728","0.0005","90","","90","","90","","2157.16","0.13","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28.63 Au0.37 B0.63 Cl0.37 F2.51 N2 -","- C23 H28.629 Au0.371 B0.629 Cl0.371 F2.516 N2 -","- C92 H114.516 Au1.484 B2.516 Cl1.484 F10.064 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0857","0.0672","","","0.1431","0.1592","","","","","","1.099","","","","has coordinates,has disorder","223995","2020-10-21","18:00:00",""
"7048665","6.7532","0.0003","8.8718","0.0003","21.8273","0.0009","90","","90","","90","","1307.74","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Au Cl N2 -","- C11 H20 Au Cl N2 -","- C44 H80 Au4 Cl4 N8 -","4","1","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0319","0.0293","","","0.0643","0.0654","","","","","","1.095","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048666","20.5559","0.0005","13.8353","0.0004","14.04","0.0004","90","","90","","90","","3992.93","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Au Cl N3 -","- C21 H25 Au Cl N3 -","- C168 H200 Au8 Cl8 N24 -","8","2","","Sampford, Katharine R.; Carden, Jamie L.; Kidner, Edward B.; Berry, Abigail; Cavell, Kingsley J.; Murphy, Damien M.; Kariuki, Benson M.; Newman, Paul D.","Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","5","1850","1858","10.1039/c8dt04462g","","","0.71073","MoKα","","0.0384","0.0285","","","0.0456","0.0498","","","","","","1.017","","","","has coordinates","223995","2020-10-21","18:00:00",""
"7048694","13.4693","0.0002","14.5628","0.0002","16.6475","0.0002","90","","90","","90","","3265.42","0.08","200","","200","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 B Ir N8 O P S2 -","- C29 H35 B Ir N8 O P S2 -","- C116 H140 B4 Ir4 N32 O4 P4 S8 -","4","1","","Hill, Anthony F.; Schwich, Torsten; Xiong, Yaoyao","5-Mercaptotetrazolyl-derived metallaboratranes.","Dalton transactions (Cambridge, England : 2003)","2019","48","7","2367","2376","10.1039/c8dt05036h","","","0.71073","MoKα","","0.0309","0.0263","","0.0571","0.0554","0.0571","","","","","","1.0078","","","","has coordinates","224303","2020-10-21","18:00:00",""
"7048745","13.22571","0.00013","18.46616","0.00017","20.7044","0.0002","90","","90","","90","","5056.6","0.08","115","","115","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H54 Ir O P3 -","- C62 H54 Ir O P3 -","- C248 H216 Ir4 O4 P12 -","4","1","","Guan, Dexin; Godard, Cyril; Polas, Stacey M.; Tooze, Robert P.; Whitwood, Adrian C.; Duckett, Simon B.","Using para hydrogen induced polarization to study steps in the hydroformylation reaction.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2664","2675","10.1039/c8dt04723e","","x-ray","0.71073","MoKα","","0.0155","0.0152","","","0.0366","0.0367","","","","","","1.041","","","","has coordinates,has disorder","223969","2020-10-21","18:00:00",""
"7048782","9.9994","0.0004","11.3818","0.0005","20.3653","0.0007","90","","90","","90","","2317.8","0.16","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H30 Fe K N2 O10 -","- C14 H30 Fe K N2 O10 -","- C56 H120 Fe4 K4 N8 O40 -","4","1","","Liu, Pai-Heng; Tsai, Fu-Te; Chen, Bo-Hao; Hsu, I-Jui; Hsieh, Hung-Hsi; Liaw, Wen-Feng","Insight into chalcogenolate-bound {Fe(NO)<sub>2</sub>}<sup>9</sup> dinitrosyl iron complexes (DNICs): covalent character versus ionic character.","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6040","6050","10.1039/c8dt04670k","","","0.71073","MoKα","","0.0539","0.0429","","","0.1027","0.109","","","","","","1.055","","","","has coordinates","224413","2020-10-21","18:00:00",""
"7048801","9.2044","0.0011","12.7702","0.0017","19.65","0.003","90","","90","","90","","2309.7","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H29 Co F12 N4 O2 P2 -","- C14 H29 Co F12 N4 O2 P2 -","- C56 H116 Co4 F48 N16 O8 P8 -","4","1","","Cain, Amy N.; Carder Freeman, TaRynn N; Roewe, Kimberly D.; Cockriel, David L.; Hasley, Travis R.; Maples, Randall D.; Allbritton, Elisabeth M. A.; D'Huys, Thomas; van Loy, Tom; Burke, Benjamin P.; Prior, Timothy J.; Schols, Dominique; Archibald, Stephen J.; Hubin, Timothy J.","Acetate as a model for aspartate-based CXCR4 chemokine receptor binding of cobalt and nickel complexes of cross-bridged tetraazamacrocycles.","Dalton transactions (Cambridge, England : 2003)","2019","48","8","2785","2801","10.1039/c8dt04728f","","","0.71073","MoKα","","0.0812","0.0376","","","0.0509","0.0583","","","","","","0.6","","","","has coordinates","223962","2020-10-21","18:00:00",""
"7048918","9.538","0.004","10.012","0.004","17.299","0.007","90","","90","","90","","1652","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 B Ge N2 -","- C15 H26 B Ge N2 -","- C60 H104 B4 Ge4 N8 -","4","1","","Sinhababu, Soumen; Singh, Dharmendra; Sharma, Mahendra Kumar; Siwatch, Rahul Kumar; Mahawar, Pritam; Nagendran, Selvarajan","Ge(ii) cation catalyzed hydroboration of aldehydes and ketones.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4094","4100","10.1039/c8dt05121f","","","0.71073","MoKα","","0.0321","0.0298","","","0.0698","0.0707","","","","","","1.036","","","","has coordinates","224272","2020-10-21","18:00:00",""
"7048930","8.984","0.008","16.043","0.016","28.431","0.01","90","","90","","90","","4098","6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H57 N13 O Sb2 Se8 V2 -","- C16 H57 N13 O Sb2 Se8 V2 -","- C64 H228 N52 O4 Sb8 Se32 V8 -","4","1","","Luo, Hai-Ying; Zhou, Jian; Zou, Hua-Hong","A series of new vanadium(iii) chalcogenido-antimonates: an unusual seven-coordinate nitro-selenidovanadium(iii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","9","3090","3097","10.1039/c9dt00268e","","","0.71073","MoKα","","0.0628","0.0366","","","0.0543","0.0597","","","","","","0.986","","","","has coordinates","224318","2020-10-21","18:00:00",""
"7048944","10.8874","0.0002","22.7857","0.0006","23.2532","0.0005","90","","90","","90","","5768.6","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 N2 Pt S Tl -","- C22 H15 N2 Pt S Tl -","- C264 H180 N24 Pt12 S12 Tl12 -","12","3","","Campillo, David; Belío, Úrsula; Martín, Antonio","New Pt→M (M = Ag or Tl) complexes based on anionic cyclometalated Pt(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","10","3270","3283","10.1039/c9dt00121b","","","0.71073","MoKα","","0.0796","0.0553","","","0.1015","0.1142","","","","","","1.012","","","","has coordinates","223815","2020-10-21","18:00:00",""
"7048978","12.3004","0.0007","15.5","0.0007","23.3578","0.0012","90","","90","","90","","4453.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H51 Cl7 N2 O2 Ti -","- C41 H51 Cl7 N2 O2 Ti -","- C164 H204 Cl28 N8 O8 Ti4 -","4","1","","Sha, Fanrui; Mitchell, Benjamin S.; Ye, Christopher Z.; Abelson, Chase S.; Reinheimer, Eric W.; LeMagueres, Pierre; Ferrara, Joseph D.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium complexes of chiral, tridentate, dianionic imine-diol ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9603","9616","10.1039/c8dt05156a","","","0.71073","MoKα","","0.0692","0.0553","","","0.1407","0.1509","","","","","","1.036","","","","has coordinates,has disorder","224060","2020-10-21","18:00:00",""
"7048979","6.2766","0.0001","13.5578","0.0002","17.4247","0.0002","90","","90","","90","","1482.79","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Sha, Fanrui; Mitchell, Benjamin S.; Ye, Christopher Z.; Abelson, Chase S.; Reinheimer, Eric W.; LeMagueres, Pierre; Ferrara, Joseph D.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium complexes of chiral, tridentate, dianionic imine-diol ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9603","9616","10.1039/c8dt05156a","","x-ray","1.54184","CuKα","","0.0231","0.0229","","","0.0585","0.0587","","","","","","0.903","","","","has coordinates","224060","2020-10-21","18:00:00",""
"7048980","6.1271","0.0001","16.0917","0.0003","19.7246","0.0004","90","","90","","90","","1944.76","0.06","99.98","0.1","99.98","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 F N O2 -","- C24 H24 F N O2 -","- C96 H96 F4 N4 O8 -","4","1","","Sha, Fanrui; Mitchell, Benjamin S.; Ye, Christopher Z.; Abelson, Chase S.; Reinheimer, Eric W.; LeMagueres, Pierre; Ferrara, Joseph D.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium complexes of chiral, tridentate, dianionic imine-diol ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9603","9616","10.1039/c8dt05156a","","x-ray","1.54184","CuKα","","0.029","0.0265","","","0.0641","0.0651","","","","","","1.055","","","","has coordinates","224060","2020-10-21","18:00:00",""
"7048981","5.93196","0.00005","18.49475","0.00019","20.30007","0.00019","90","","90","","90","","2227.12","0.04","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F N O2 -","- C28 H24 F N O2 -","- C112 H96 F4 N4 O8 -","4","1","","Sha, Fanrui; Mitchell, Benjamin S.; Ye, Christopher Z.; Abelson, Chase S.; Reinheimer, Eric W.; LeMagueres, Pierre; Ferrara, Joseph D.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium complexes of chiral, tridentate, dianionic imine-diol ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9603","9616","10.1039/c8dt05156a","","x-ray","1.54184","CuKα","","0.0244","0.024","","","0.0603","0.0605","","","","","","1.069","","","","has coordinates","224060","2020-10-21","18:00:00",""
"7048982","9.7721","0.0001","11.0897","0.0001","27.2621","0.0002","90","","90","","90","","2954.38","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H41 N O2 -","- C36 H41 N O2 -","- C144 H164 N4 O8 -","4","1","","Sha, Fanrui; Mitchell, Benjamin S.; Ye, Christopher Z.; Abelson, Chase S.; Reinheimer, Eric W.; LeMagueres, Pierre; Ferrara, Joseph D.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium complexes of chiral, tridentate, dianionic imine-diol ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9603","9616","10.1039/c8dt05156a","","x-ray","1.54184","CuKα","","0.0277","0.0272","","","0.0683","0.0686","","","","","","1.042","","","","has coordinates,has disorder","224060","2020-10-21","18:00:00",""
"7049052","16.4346","0.0004","21.1397","0.0005","24.5462","0.0005","90","","90","","90","","8527.9","0.3","150","0.2","150","0.2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C88 H87 B F24 N4 O Ru Zn -","- C88 H87 B F24 N4 O Ru Zn -","- C352 H348 B4 F96 N16 O4 Ru4 Zn4 -","4","1","","Espinal-Viguri, Maialen; Varela-Izquierdo, Victor; Miloserdov, Fedor M.; Riddlestone, Ian M.; Mahon, Mary F.; Whittlesey, Michael K.","Heterobimetallic ruthenium-zinc complexes with bulky N-heterocyclic carbenes: syntheses, structures and reactivity.","Dalton transactions (Cambridge, England : 2003)","2019","48","13","4176","4189","10.1039/c8dt05023f","","x-ray","0.71073","MoKα","","0.068","0.0511","","","0.1112","0.1206","","","","","","1.077","","","","has coordinates,has disorder","224276","2020-10-21","18:00:00",""
"7049130","11.516","0.002","14.372","0.003","18.06","0.004","90","","90","","90","","2989.1","1","181","2","181","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H33 N O5.5 -","- C37 H33 N O5.5 -","- C148 H132 N4 O22 -","4","1","","Ullmann, Steve; Hahn, Peter; Blömer, Laura; Mehnert, Anne; Laube, Christian; Abel, Bernd; Kersting, Berthold","Dinuclear lanthanide complexes supported by a hybrid salicylaldiminato/calix[4]arene-ligand: synthesis, structure, and magnetic and luminescence properties of (HNEt<sub>3</sub>)[Ln<sub>2</sub>(HL)(L)] (Ln = Sm<sup>III</sup>, Eu<sup>III</sup>, Gd<sup>III</sup>, Tb<sup>III</sup>).","Dalton transactions (Cambridge, England : 2003)","2019","48","12","3893","3905","10.1039/c9dt00292h","","","0.71073","MoKα","","0.0462","0.0317","","","0.0757","0.0822","","","","","","0.627","","","","has coordinates","224576","2020-10-21","18:00:00",""
"7049249","13.6185","0.0011","20.5438","0.0014","29.162","0.002","90","","90","","90","","8158.8","1","180","","180","","","","","","","","Cambridge Dept of Chem.","7","P 21 21 21","P 2ac 2ab","19","","[CeV12O32Cl][CeCl(DMSO)7]","","- C26 H76.39 Ce2 Cl2 O45 S13 V12 -","- C26 H76.3887 Ce2 Cl2 O45 S13 V12 -","- C104 H305.555 Ce8 Cl8 O180 S52 V48 -","4","1","","Lu, Haijiao; Jethwa, Rajesh B.; Jenkinson, Kellie J.; Wheatley, Andrew E. H.; Hao, Hongxun; Wright, Dominic S.; Pike, Sebastian D.","A simple one-step synthetic route to access a range of metal-doped polyoxovanadate clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4555","4564","10.1039/c8dt05072d","","","1.5418","CuKα","","0.117","0.1054","","0.2644","0.2576","0.2644","","","","","","1.0073","","","","has coordinates,has disorder","224292","2020-10-21","18:00:00",""
"7049352","6.4374","0.0002","17.222","0.0007","21.0699","0.0009","90","","90","","90","","2335.91","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl O P S -","- C27 H22 Cl O P S -","- C108 H88 Cl4 O4 P4 S4 -","4","1","","Tay, Wee Shan; Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Investigating palladium pincer complexes in catalytic asymmetric hydrophosphination and hydroarsination.","Dalton transactions (Cambridge, England : 2003)","2019","48","14","4602","4610","10.1039/c9dt00221a","","","0.71073","MoKα","","0.0864","0.0537","","","0.1042","0.1224","","","","","","1.018","","","","has coordinates","224290","2020-10-21","18:00:00",""
"7049388","12.9999","0.0015","13.3865","0.0016","35.007","0.004","90","","90","","90","","6092","1.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","bis[(allyl)chloro{?1-P-[N-(diphenylboryl)-2-di-tert-butyl-phosphanylbenzaldimine]}palladium]","","- C61 H77 B2 Cl5 N2 P2 Pd2 -","- C61 H77 B2 Cl5 N2 P2 Pd2 -","- C244 H308 B8 Cl20 N8 P8 Pd8 -","4","1","","Lorenzini, Fabio; Lagueux-Tremblay, Pierre-Louis; Kayser, Laure V.; Anderson, Ethan; Arndtsen, Bruce A.","Synthesis, structure and palladium coordination of ambiphilic, pyridine- and phosphine-tethered N-boryl imine ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","17","5766","5772","10.1039/c8dt05100c","","","0.71073","MoKα","","0.0296","0.0261","","","0.0552","0.0565","","","","","","1.015","","","","has coordinates,has disorder","224106","2020-10-21","18:00:00",""
"7049409","11.3471","0.0003","13.4416","0.0005","21.6337","0.0008","90","","90","","90","","3299.64","0.19","90","0.2","90","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33.77 H33.53 Au Cl3.53 N3 O -","- C33.767 H33.534 Au Cl3.534 N3 O -","- C135.068 H134.136 Au4 Cl14.136 N12 O4 -","4","1","","Kim, Jong Hyun; Mertens, R. Tyler; Agarwal, Amal; Parkin, Sean; Berger, Gilles; Awuah, Samuel G.","Direct intramolecular carbon(sp<sup>2</sup>)-nitrogen(sp<sup>2</sup>) reductive elimination from gold(iii).","Dalton transactions (Cambridge, England : 2003)","2019","48","18","6273","6282","10.1039/c8dt05155k","","","0.71073","MoKα","","0.0413","0.0379","","","0.0916","0.0928","","","","","","1.208","","","","has coordinates,has disorder","224404","2020-10-21","18:00:00",""
"7049470","7.8586","0.0011","11.9567","0.0013","16.759","0.003","90","","90","","90","","1574.7","0.4","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Mn N3 O2 -","- C18 H18 Mn N3 O2 -","- C72 H72 Mn4 N12 O8 -","4","1","","Kusumoto, Sotaro; Koga, Atsushi; Kobayashi, Fumiya; Ohtani, Ryo; Kim, Yang; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki","Weak ferromagnetism derived from spin canting in an amido-bridged homochiral Mn(iii) 1-D coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8617","8622","10.1039/c9dt00593e","","x-ray","0.71073","MoKα","","0.0901","0.0579","","","0.1077","0.1198","","","","","","0.997","","","","has coordinates","223789","2020-10-21","18:00:00",""
"7049471","7.8555","0.0009","11.9365","0.0012","16.7493","0.0014","90","","90","","90","","1570.5","0.3","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Mn N3 O2 -","- C18 H18 Mn N3 O2 -","- C72 H72 Mn4 N12 O8 -","4","1","","Kusumoto, Sotaro; Koga, Atsushi; Kobayashi, Fumiya; Ohtani, Ryo; Kim, Yang; Lindoy, Leonard F.; Hayami, Shinya; Nakamura, Masaaki","Weak ferromagnetism derived from spin canting in an amido-bridged homochiral Mn(iii) 1-D coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8617","8622","10.1039/c9dt00593e","","x-ray","0.71073","MoKα","","0.0319","0.0278","","","0.0611","0.0623","","","","","","1.06","","","","has coordinates","223789","2020-10-21","18:00:00",""
"7049522","6.6836","0.0003","12.2756","0.0004","21.8809","0.0008","90","","90","","90","","1795.22","0.12","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","aqua(1.10-phenanthroline)(oxazolidine-4-carboxylato)copper(II) nitrate monohydrate","","- C16 H18 Cu N4 O8 -","- C16 H18 Cu N4 O8 -","- C64 H72 Cu4 N16 O32 -","4","1","","Lee, Khei Yan; Ng, Yi Ling; Wang, Wai San; Ng, Pei Ying; Chan, Cheang Wei; Lai, Jing Wei; Davamani, Fabian; Chitra, Ebenezer; Lim, Wei Meng; Ganguly, Rakesh; Maah, Mohd Jamil; Yip, Foo Win; Ng, Chew Hee","Enantiomeric pairs of ternary copper(ii) complexes and their aldol-type condensation products: synthesis, characterization, and anticancer and epigenetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","15","4987","4999","10.1039/c9dt00506d","","","0.71073","MoKα","","0.0383","0.0312","","","0.0705","0.0726","","","","","","1.021","","","","has coordinates","224376","2020-10-21","18:00:00",""
"7049630","12.727","0.003","12.812","0.003","47.027","0.009","90","","90","","90","","7668","3","153","0.2","153","0.2","","","","","","","none","6","P 21 21 21","P 2ac 2ab","19","S-2-MeNO2-153K","S-2-MeNO2-153K","","- C95 H81 B2 Fe N7 O6 -","- C95 H81 B2 Fe N7 O6 -","- C380 H324 B8 Fe4 N28 O24 -","4","1","","Gao, Wan-Qing; Meng, Yin-Shan; Liu, Chun-Hua; Pan, Yao; Liu, Tao; Zhu, Yuan-Yuan","Spin crossover and structural phase transition in homochiral and heterochiral Fe[(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6323","6327","10.1039/c8dt04893b","","","0.71073","MoKα","","0.117","0.0914","","","0.1426","0.1589","","","","","","1.144","","","","has coordinates","224166","2020-10-21","18:00:00",""
"7049633","19.051","0.004","21.637","0.004","25.014","0.005","90","","90","","90","","10311","4","173","0.2","173","0.2","","","","","","","No","6","P 21 21 21","P 2ac 2ab","19","(S)-1-3MeCN-173K","S-1-3MeCN-173K","","- C104 H94 Cl4 Fe2 N18 O24 -","- C104 H94 Cl4 Fe2 N18 O24 -","- C416 H376 Cl16 Fe8 N72 O96 -","4","1","","Gao, Wan-Qing; Meng, Yin-Shan; Liu, Chun-Hua; Pan, Yao; Liu, Tao; Zhu, Yuan-Yuan","Spin crossover and structural phase transition in homochiral and heterochiral Fe[(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","19","6323","6327","10.1039/c8dt04893b","","","0.71073","MoKα","","0.066","0.0613","","","0.1542","0.158","","","","","","1.114","","","","has coordinates","224166","2020-10-21","18:00:00",""
"7049690","8.6392","0.0003","16.7578","0.0005","17.6029","0.0008","90","","90","","90","","2548.44","0.16","175","2","175","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Fe(L30b)2](BF4)","","","- C24 H26 B F4 Fe N4 O4 -","- C24 H26 B F4 Fe N4 O4 -","- C96 H104 B4 F16 Fe4 N16 O16 -","4","1","","Dankhoff, Katja; Weber, Birgit","Isostructural iron(iii) spin crossover complexes with a tridentate Schiff base-like ligand: X-ray structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15376","15380","10.1039/c9dt00846b","","","0.71073","MoKα","","0.0876","0.0461","","","0.0848","0.094","","","","","","0.888","","","","has coordinates","223885","2020-10-21","18:00:00",""
"7049691","8.6111","0.0003","16.4406","0.0005","17.5177","0.0008","90","","90","","90","","2480.01","0.16","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Fe(L30b)2](BF4)","","","- C24 H26 B F4 Fe N4 O4 -","- C24 H26 B F4 Fe N4 O4 -","- C96 H104 B4 F16 Fe4 N16 O16 -","4","1","","Dankhoff, Katja; Weber, Birgit","Isostructural iron(iii) spin crossover complexes with a tridentate Schiff base-like ligand: X-ray structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15376","15380","10.1039/c9dt00846b","","","0.71073","MoKα","","0.0865","0.0477","","","0.0891","0.0975","","","","","","0.892","","","","has coordinates","223885","2020-10-21","18:00:00",""
"7049692","8.6347","0.0003","16.5568","0.0007","17.5497","0.0006","90","","90","","90","","2508.96","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Fe(L30b)2]ClO4","","","- C24 H26 Cl Fe N4 O8 -","- C24 H26 Cl Fe N4 O8 -","- C96 H104 Cl4 Fe4 N16 O32 -","4","1","","Dankhoff, Katja; Weber, Birgit","Isostructural iron(iii) spin crossover complexes with a tridentate Schiff base-like ligand: X-ray structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15376","15380","10.1039/c9dt00846b","","","0.71073","MoKα","","0.0566","0.0368","","","0.0616","0.0649","","","","","","0.902","","","","has coordinates","223885","2020-10-21","18:00:00",""
"7049693","8.6776","0.0003","16.8062","0.0008","17.6168","0.0006","90","","90","","90","","2569.19","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Fe(L30b)2]ClO4","","","- C24 H26 Cl Fe N4 O8 -","- C24 H26 Cl Fe N4 O8 -","- C96 H104 Cl4 Fe4 N16 O32 -","4","1","","Dankhoff, Katja; Weber, Birgit","Isostructural iron(iii) spin crossover complexes with a tridentate Schiff base-like ligand: X-ray structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15376","15380","10.1039/c9dt00846b","","","0.71073","MoKα","","0.07","0.0405","","","0.0653","0.0705","","","","","","0.887","","","","has coordinates","223885","2020-10-21","18:00:00",""
"7049738","10.1733","0.0005","16.2865","0.0008","6.6583","0.0003","90","","90","","90","","1103.2","0.09","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Bis-tert-butylchlorobismutan","","- C8 H18 Bi Cl -","- C8 H18 Bi Cl -","- C32 H72 Bi4 Cl4 -","4","1","","Ritter, Christian; Ringler, Benjamin; Dankert, Fabian; Conrad, Matthias; Kraus, Florian; von Hänisch, Carsten","Synthesis and crystal structures of novel tertiary butyl substituted (pseudo-)halogen bismuthanes.","Dalton transactions (Cambridge, England : 2003)","2019","48","16","5253","5262","10.1039/c9dt00408d","","x-ray","0.71073","MoKα","","0.0272","0.0247","","","0.0562","0.0571","","","","","","1.08","","","","has coordinates","224190","2020-10-21","18:00:00",""
"7049742","15.3583","0.0012","16.3686","0.0013","26.495","0.002","90","","90","","90","","6660.7","0.9","150.15","","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C82 H66 Cu N2 O4 P4 -","- C82 H66 Cu N2 O4 P4 -","- C328 H264 Cu4 N8 O16 P16 -","4","1","","Wang, Yingxia; Eichhoefer, Andreas; Weigend, Florian; Fenske, Dieter; Fuhr, Olaf","The coordination behavior of 2,3-bis(diphenylphosphino)maleic-N-phenylimide towards copper, silver, gold and palladium","Dalton Transactions","2019","","","","","10.1039/C8DT05003A","","x-ray","1.54186","CuKα","","0.0858","0.0531","","","0.1201","0.1358","","","","","","1.017","","","","has coordinates","214680","2020-10-21","18:00:00",""
"7049763","10.5996","0.0004","17.1262","0.0008","18.4212","0.0008","90","","90","","90","","3344","0.2","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H49 N2 O2 Sc Si2 -","- C30 H49 N2 O2 Sc Si2 -","- C120 H196 N8 O8 Sc4 Si8 -","4","1","","Pan, Yu; Li, Wenqiang; Wei, Ning-Ning; So, Yat-Ming; Lai, Xiaoling; Li, Yang; Jiang, Kang; He, Gaohong","Highly active rare-earth metal catalysts for heteroselective ring-opening polymerization of racemic lactide.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9079","9088","10.1039/c9dt00541b","","","0.71073","MoKα","","0.0256","0.0243","","","0.0637","0.0649","","","","","","0.979","","","","has coordinates,has disorder","224218","2020-10-21","18:00:00",""
"7049767","10.7939","0.0005","12.0638","0.0005","21.0206","0.001","90","","90","","90","","2737.2","0.2","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 B F4 P Sb -","- C31 H27 B F4 P Sb -","- C124 H108 B4 F16 P4 Sb4 -","4","1","","Yang, Mengxi; Hirai, Masato; Gabbaï, François P","Phosphonium-stibonium and bis-stibonium cations as pnictogen-bonding catalysts for the transfer hydrogenation of quinolines.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6685","6689","10.1039/c9dt01357a","","","0.71073","MoKα","","0.0491","0.0404","","","0.085","0.0892","","","","","","1.064","","","","has coordinates,has disorder","224219","2020-10-21","18:00:00",""
"7049807","15.8483","0.0016","20.707","0.002","26.01","0.003","90","","90","","90","","8535.7","1.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C89.5 H119 N7 U -","- C89.5 H119 N7 U -","- C358 H476 N28 U4 -","4","1","","Tomson, Neil C.; Anderson, Nickolas H.; Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.","Oxidation of uranium(iv) mixed imido-amido complexes with PhEEPh and to generate uranium(vi) bis(imido) dichalcogenolates, U(NR)<sub>2</sub>(EPh)<sub>2</sub>(L)<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2019","48","29","10865","10873","10.1039/c9dt00680j","","","0.71073","MoKα","","0.0538","0.0433","","","0.1024","0.108","","","","","","1.026","","","","has coordinates","223753","2020-10-21","18:00:00",""
"7049832","13.5338","0.0004","16.2852","0.0004","28.7574","0.0008","90","","90","","90","","6338.1","0.3","173","2","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H66 Cl2 F6 P6 Ru Si -","- C66 H66 Cl2 F6 P6 Ru Si -","- C264 H264 Cl8 F24 P24 Ru4 Si4 -","4","1","","Furfari, Samantha K.; Leech, Matthew C.; Trathen, Nicola; Levis, Madeleine C.; Crossley, Ian R.","Cyaphide-alkynyl complexes: metal-ligand conjugation and the influence of remote substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8131","8143","10.1039/c9dt01071h","","x-ray","1.54184","CuKα","","0.0707","0.0575","","","0.1594","0.1763","","","","","","1.118","","","","has coordinates","224435","2020-10-21","18:00:00",""
"7049834","13.4662","0.0003","16.1621","0.0004","28.4939","0.0007","90","","90","","90","","6201.5","0.3","173","2","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C65 H63 Cl2 F7 P6 Ru Si -","- C65 H63 Cl2 F7 P6 Ru Si -","- C260 H252 Cl8 F28 P24 Ru4 Si4 -","4","1","","Furfari, Samantha K.; Leech, Matthew C.; Trathen, Nicola; Levis, Madeleine C.; Crossley, Ian R.","Cyaphide-alkynyl complexes: metal-ligand conjugation and the influence of remote substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8131","8143","10.1039/c9dt01071h","","x-ray","0.71073","MoKα","","0.0392","0.0344","","","0.079","0.0818","","","","","","1.05","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7049844","9.5216","0.0003","12.4903","0.0004","29.8518","0.0009","90","","90","","90","","3550.2","0.19","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 F3 Fe N3 O2 -","- C15 H29 F3 Fe N3 O2 -","- C120 H232 F24 Fe8 N24 O16 -","8","2","","Blower, Philip J.; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Mules, Thomas O.; Reid, Gillian; Subhan, M. Nadeem","Exploring transition metal fluoride chelates - synthesis, properties and prospects towards potential PET probes.","Dalton transactions (Cambridge, England : 2003)","2019","48","20","6767","6776","10.1039/c8dt03696a","","x-ray","0.71073","MoKα","","0.034","0.0298","","","0.0562","0.0573","","","","","","1.07","","","","has coordinates","224226","2020-10-21","18:00:00",""
"7049886","13.17","0.002","17.362","0.005","17.639","0.006","90","","90","","90","","4033.3","1.9","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H43 F3 N4 O12 Pt S -","- C36 H43 F3 N4 O12 Pt S -","- C144 H172 F12 N16 O48 Pt4 S4 -","4","1","","Annunziata, Alfonso; Cucciolito, Maria Elena; Esposito, Roberto; Imbimbo, Paola; Petruk, Ganna; Ferraro, Giarita; Pinto, Valerio; Tuzi, Angela; Monti, Daria Maria; Merlino, Antonello; Ruffo, Francesco","A highly efficient and selective antitumor agent based on a glucoconjugated carbene platinum(ii) complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7794","7800","10.1039/c9dt01614g","","","0.71073","MoKα","","0.0503","0.0374","","","0.0811","0.0879","","","","","","1.093","","","","has coordinates","223820","2020-10-21","18:00:00",""
"7050081","6.036","0.003","12.342","0.005","5.788","0.003","90","","90","","90","","431.18","","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","C. Wilson; Minakshi Ghosh; L. Johnson; Dean Myles; Wenging Wang.","Neutron diffraction investigations of L- and D-alanine at different temperatures: The search for structural evidence for parity violation","New J.Chem.(Nouv.J.Chim.)","2005","","","","","","","neutron","","neutron","","0.0784","0.0784","","","0.183","0.183","","","","","","1.78","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050082","6.043","0.003","12.337","0.005","5.784","0.003","90","","90","","90","","431.21","","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","C. Wilson; Minakshi Ghosh; L. Johnson; Dean Myles; Wenging Wang.","Neutron diffraction investigations of L- and D-alanine at different temperatures: The search for structural evidence for parity violation","New J.Chem.(Nouv.J.Chim.)","2005","","","","","","","neutron","","neutron","","0.0844","0.0844","","","0.2079","0.2079","","","","","","2.143","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050083","5.942","0.003","12.261","0.005","5.785","0.0003","90","","90","","90","","421.5","0.3","60","1","60","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Wilson, Chick C.; Myles, Dean; Ghosh, Minakshi; Johnson, Louise N.; Wang, Wenging","Neutron diffraction investigations of l- and d-alanine at different temperatures: the search for structural evidence for parity violation","New Journal of Chemistry","2005","29","10","1318","","10.1039/b419295h","","neutron","","neutron","","0.0799","0.0799","","","0.2012","0.2012","","","","","","1.941","","","","has coordinates","209450","2020-10-21","18:00:00",""
"7050084","5.94","0.003","12.274","0.005","5.806","0.003","90","","90","","90","","423.3","0.4","60","1","60","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Wilson, Chick C.; Myles, Dean; Ghosh, Minakshi; Johnson, Louise N.; Wang, Wenging","Neutron diffraction investigations of l- and d-alanine at different temperatures: the search for structural evidence for parity violation","New Journal of Chemistry","2005","29","10","1318","","10.1039/b419295h","","neutron","","neutron","","0.0588","0.0588","","","0.1499","0.1499","","","","","","1.315","","","","has coordinates","209450","2020-10-21","18:00:00",""
"7050199","9.369","0.002","16.409","0.002","16.632","0.002","90","","90","","90","","2556.9","0.7","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H10 Co4 O12 -","- C22 H10 Co4 O12 -","- C88 H40 Co16 O48 -","4","1","","Golovko, Vladimir B.; Hope-Weeks, Louisa J.; Mays, Martin J.; McPartlin, Mary; Sloan, Anna M.; Woods, Anthony D.","Synthesis of cobalt-containing cyclophanes, and the formation of an unprecedented seven-membered cyclic diyneElectronic supplementary information (ESI) available: crystallographic data for complexes 8 and 11. See http://www.rsc.org/suppdata/nj/b3/b310515f/","New Journal of Chemistry","2004","28","4","527","","10.1039/b310515f","","","0.71069","MoKα","","0.0594","0.0439","","","0.0789","0.086","","","","","","1.043","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7050230","5.6512","0.001","7.9702","0.0014","30.441","0.005","90","","90","","90","","1371.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O S -","- C16 H15 N O S -","- C64 H60 N4 O4 S4 -","4","1","","Kumar, Sangit; Kandasamy, Karuppasamy; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of organochalcogens stabilized by intramolecular non-bonded interactions of sterically unhindered 2-phenyl-2-oxazolineElectronic supplementary information (ESI) available: 77Se NMR spectrum of 14, molecular structure of 16 and packing diagram of 15. See http://www.rsc.org/suppdata/nj/b3/b312364b/","New Journal of Chemistry","2004","28","5","640","","10.1039/b312364b","","","0.71073","MoKα","","0.0314","0.0306","","","0.0807","0.0819","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050250","9.9117","0.0002","14.1651","0.0003","18.1568","0.0005","90","","90","","90","","2549.22","0.1","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-bis-fluoren-9-ylidene-succinic acid acetone solvate (1:1)","2,3-bis-fluoren-9-ylidene-succinic acid acetone solvate (1:1)","","- C33 H24 O5 -","- C33 H24 O5 -","- C132 H96 O20 -","4","1","","Tanaka, Koichi; Iwamoto, Toshimasa; Caira, Mino R.","Conglomerate and racemate formation of 2,3-bisfluoren-9-ylidenesuccinic acid by inclusion complexation with achiral guest molecules","New Journal of Chemistry","2004","28","3","329","","10.1039/b314192f","","","0.71073","MoKα","","0.0944","0.0545","","","0.122","0.1392","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050283","12.3025","0.0013","12.0425","0.0012","19.841","0.003","90","","90","","90","","2939.4","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2,4-diamino-6-piperidino-1,3,5-triazine","2,4-diamino-6-piperidino-1,3,5-triazine","","- C8 H14 N6 -","- C8 H14 N6 -","- C96 H168 N72 -","12","3","","Antonio de la Hoz; Maria del Carmen Mateo; Angel Diaz-Ortiz; Jose Elguero; Concepcion Foces-Foces; A.Moreno; Ana Sanchez-Migallon; Gema Valiente","Green synthesis and self-association of 2,4-diamino-1,3,5-triazine derivatives","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71069","MoKα","","0.068","0.0596","","","0.1591","0.1838","","","","","","1.006","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050376","14.3264","0.0006","16.9472","0.0007","20.0115","0.0009","90","","90","","90","","4858.6","0.4","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H62 N10 O8 -","- C50 H62 N10 O8 -","- C200 H248 N40 O32 -","4","1","","O.G.Barton; M.Schmidtmann; A.Muller; J.Mattay","Diaminotriazine substituted 1,3-alternate Calix[4]arenes","New J.Chem.(Nouv.J.Chim.)","2004","","","","","","","","0.71073","MoKα","","0.0495","0.0409","","","0.103","0.1083","","","","","","1.057","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050420","6.9118","0.0002","8.1756","0.0002","21.0256","0.0005","90","","90","","90","","1188.12","0.05","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 Cl2 N2 -","- C9 H20 Cl2 N2 -","- C36 H80 Cl8 N8 -","4","1","","Bolm, Carsten; Schiffers, Ingo; Atodiresei, Iuliana; Ozcubukcu, Salih; Raabe, Gerhard","A novel asymmetric synthesis of highly enantiomerically enriched norbornane-type diamine derivatives","New Journal of Chemistry","2003","27","1","14","","10.1039/b206943c","","","0.71073","MoKα","","0.062","0.043","","0.212","","0.048","","","4.385","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050685","14.7679","0.0003","16.1912","0.0004","18.8663","0.0003","90","","90","","90","","4511.12","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H65 Br2 Cu N3 -","- C42 H65 Br2 Cu N3 -","- C168 H260 Br8 Cu4 N12 -","4","1","","Kickelbick, Guido; Pintauer, Tomislav; Matyjaszewski, Krzysztof","Structural comparison of CuII complexes in atom transfer radical polymerization","New Journal of Chemistry","2002","26","4","462","","10.1039/b105454f","","","0.71073","MoKα","","0.0513","0.0393","","","0.0858","0.0913","","","","","","0.991","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050722","11.1287","0.0005","11.9739","0.0005","18.9832","0.0008","90","","90","","90","","2529.59","0.19","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Br Cu3 Mo N3 O S3 -","- C18 H21 Br Cu3 Mo N3 O S3 -","- C72 H84 Br4 Cu12 Mo4 N12 O4 S12 -","4","1","","Chi, Dae Yoon; Fun, H.; Hermann, W. A.; Song, Y.; Wang, Y.; Xin, X.","Sign alteration of nonlinear refraction of the isomorphous cubane-shaped heterothiometallic clusters originating from a skeleton atomic effect","New Journal of Chemistry","2002","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050723","11.968","0.005","19.102","0.004","11.209","0.002","90","","90","","90","","2562.3","1.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cu3 I N3 O S3 W -","- C18 H21 Cu3 I N3 O S3 W -","- C72 H84 Cu12 I4 N12 O4 S12 W4 -","4","1","","Chi, Dae Yoon; Fun, H.; Hermann, W. A.; Song, Y.; Wang, Y.; Xin, X.","Sign alteration of nonlinear refraction of the isomorphous cubane-shaped heterothiometallic clusters originating from a skeleton atomic effect","New Journal of Chemistry","2002","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7050762","7.434","0.002","9.856","0.0014","29.368","0.009","90","","90","","90","","2151.8","0.9","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H18 N2 O6 -","- C29 H18 N2 O6 -","- C116 H72 N8 O24 -","4","1","","Field, Jeremy D.; Turner, Peter; Harding, Margaret M.; Hatzikominos, Theano; Kim, Linda","Carbocyclic molecular clefts incorporating hydrogen bonding features","New Journal of Chemistry","2002","26","6","720","","10.1039/b109055k","","","0.56356","synchrotron","","0.0452","0.0359","","","0.0771","0.0787","","","","","","1.055","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050766","8.607","0.014","14.48","0.02","15.73","0.02","90","","90","","90","","1960","5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 Cl3 N3 O3 Ru -","- C13 H23 Cl3 N3 O3 Ru -","- C52 H92 Cl12 N12 O12 Ru4 -","4","1","","Pal, Pankaj K.; Drew, Michael G. B.; Datta, Dipankar","Two simple precursor 2,2'-bisoxazoline complexes of ruthenium","New Journal of Chemistry","2002","26","1","24","","10.1039/b109294b","","","0.71073","MoKα","","0.0994","0.0581","","","0.1598","0.1835","","","","","","0.91","","","","has coordinates","180061","2020-10-21","18:00:00",""
"7050769","8.5942","0.0001","16.0218","0.0003","19.5448","0.0003","90","","90","","90","","2691.21","0.07","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Fe N O4 P -","- C30 H32 Fe N O4 P -","- C120 H128 Fe4 N4 O16 P4 -","4","1","","Štěpnička, Petr","Synthesis, characterization and diastereoselective coordination of a planarly chiral, hybrid ferrocene ligand, (Sp)-2-(diphenylphosphino)ferrocenecarboxylic acid","New Journal of Chemistry","2002","26","5","567","","10.1039/b109495p","","","0.71073","MoKα","","0.0425","0.0333","","","0.0702","0.0741","","","","","","1.047","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7050770","8.7508","0.0003","14.1915","0.0006","15.6483","0.0008","90","","90","","90","","1943.32","0.15","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Sp)-2-(diphenylphosphinoyl)ferrocenecarboxylic acid","","- C23 H19 Fe O3 P -","- C23 H19 Fe O3 P -","- C92 H76 Fe4 O12 P4 -","4","1","","Štěpnička, Petr","Synthesis, characterization and diastereoselective coordination of a planarly chiral, hybrid ferrocene ligand, (Sp)-2-(diphenylphosphino)ferrocenecarboxylic acid","New Journal of Chemistry","2002","26","5","567","","10.1039/b109495p","","","0.71073","MoKα","","0.0446","0.0363","","","0.0785","0.0828","","","","","","1.054","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050807","10.716","0.002","10.737","0.002","26.151","0.004","90","","90","","90","","3008.9","0.9","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H41 N2 O3 P -","- C33 H41 N2 O3 P -","- C132 H164 N8 O12 P4 -","4","1","","Gardner, Stuart; Motevalli, Majid; Shastri, Kirtida; Sullivan, Alice C.; Wyatt, Peter B.","Synthetic and structural chemistry of enantiomerically pure 1-phenyl-2-carboxyethylphosphonic acid and its derivativesElectronic supplementary information (ESI) available: Tables S1‒6. See http://www.rsc.org/suppdata/nj/b1/b111244a/","New Journal of Chemistry","2002","26","4","433","","10.1039/b111244a","","","0.71073","MoKα","","0.2081","0.0555","","","0.1003","0.1381","","","","","","0.979","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050808","5.671","0.001","12.779","0.002","14.064","0.003","90","","90","","90","","1019.2","0.3","393","2","393","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 O5 P -","- C9 H11 O5 P -","- C36 H44 O20 P4 -","4","1","","Gardner, Stuart; Motevalli, Majid; Shastri, Kirtida; Sullivan, Alice C.; Wyatt, Peter B.","Synthetic and structural chemistry of enantiomerically pure 1-phenyl-2-carboxyethylphosphonic acid and its derivativesElectronic supplementary information (ESI) available: Tables S1‒6. See http://www.rsc.org/suppdata/nj/b1/b111244a/","New Journal of Chemistry","2002","26","4","433","","10.1039/b111244a","","","0.71073","MoKα","","0.1085","0.056","","","0.1342","0.1567","","","","","","0.949","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050812","11.8372","0.0007","15.8445","0.0009","16.8452","0.0007","90","","90","","90","","3159.4","0.3","183.2","","183.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Cl2 N P2 Pd Se -","- C32 H29 Cl2 N P2 Pd Se -","- C128 H116 Cl8 N4 P8 Pd4 Se4 -","4","1","","Faller, Jack W.; Lloret-Fillol, Julio; Parr, Jonathan","Complexes of elements of groups 9 and 10 with new chiral chelating bisphosphine monosulfide and monoselenide ligands","New Journal of Chemistry","2002","26","7","883","","10.1039/b111422k","","","0.7107","MoKα","","0.067","0.038","","0.051","","0.041","","","1.028","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050813","11.8948","0.0004","15.3216","0.0005","16.8763","0.0006","90","","90","","90","","3075.66","0.18","183.2","","183.2","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Cl2 N P2 Pt Se -","- C32 H29 Cl2 N P2 Pt Se -","- C128 H116 Cl8 N4 P8 Pt4 Se4 -","4","1","","Faller, Jack W.; Lloret-Fillol, Julio; Parr, Jonathan","Complexes of elements of groups 9 and 10 with new chiral chelating bisphosphine monosulfide and monoselenide ligands","New Journal of Chemistry","2002","26","7","883","","10.1039/b111422k","","","0.7107","MoKα","","0.037","0.037","","0.039","","0.039","","","0.92","","","0.92","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050840","16.4431","0.001","22.1019","0.0011","24.1758","0.0014","90","","90","","90","","8786.1","0.9","","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 K N2 Ni O6 P S4 -","- C18 H36 K N2 Ni O6 P S4 -","- C216 H432 K12 N24 Ni12 O72 P12 S48 -","12","3","","Bujoli-Doeuff, Martine; Coste, Servane; Evain, Michel; Brec, Raymond; Massiot, Dominique; Jobic, Stéphane","Synthesis and structure of phases containing [Ni~3~P~3~S~12~]~3~^-^ crown-shaped trimers","New Journal of Chemistry","2002","26","7","910","914","10.1039/b200703g","","","","","","","","","","","","","","","1.38","1.38","","","","","has coordinates","189758","2020-10-21","18:00:00",""
"7050841","18.296","0.002","29.174","0.002","13.5323","0.0014","90","","90","","90","","7222.9","1.2","","","","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H94 K2 N5 Ni3 O12 P3 S12 -","- C45 H94 K2 N5 Ni3 O12 P3 S12 -","- C180 H376 K8 N20 Ni12 O48 P12 S48 -","4","1","","Bujoli-Doeuff, Martine; Coste, Servane; Evain, Michel; Brec, Raymond; Massiot, Dominique; Jobic, Stéphane","Synthesis and structure of phases containing [Ni~3~P~3~S~12~]~3~^-^ crown-shaped trimers","New Journal of Chemistry","2002","26","7","910","914","10.1039/b200703g","","","","","","","","","","","","","","","","","","","","","has coordinates","189759","2020-10-21","18:00:00",""
"7050854","9.127","0.003","16.83","0.003","20.558","0.005","90","","90","","90","","3157.9","1.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 N4 O6 S2 Zn -","- C31 H32 N4 O6 S2 Zn -","- C124 H128 N16 O24 S8 Zn4 -","4","1","","Manuel R. Bermejo; Miguel Vázquez; Jesús Sanmartín; Ana M. García-Deibe; Matilde Fondo; Carlos Lodeiro","Zinc and cadmium complexes with an achiral symmetric helicand. Crystal structure of an enantiomerically pure Λ-Zn(II) monohelicate","New J. Chem.","2002","26","10","1365","1370","10.1039/b201433p","","","0.71073","MoKα","","0.1165","0.0545","","","0.1046","0.1208","","","","","","0.874","","","","has coordinates","180062","2020-10-21","18:00:00",""
"7050860","7.036","0.002","8.23","0.002","22.932","0.003","90","","90","","90","","1327.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cu N4 O4 -","- C11 H14 Cu N4 O4 -","- C44 H56 Cu4 N16 O16 -","4","1","","Joaquín Sanchiz; Yolanda Rodríguez-Martín; Catalina Ruiz-Pérez; Alfredo Mederos; Francesc Lloret; Miguel Julve","Ferromagnetic coupling in the malonato-bridged copper(II) chains [Cu(Im)2(mal)]n and [Cu(2-MeIm)2(mal)]n(H2mal=malonic acid, Im=imidazole and 2-MeIm=2-methylimidazole)","New J. Chem.","2002","26","11","1624","1628","10.1039/b201849g","","","0.71069","MoKα","","0.0713","0.0408","","","0.1047","0.1157","","","","","","1.062","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050862","11.462","0.004","12.79","0.004","26.465","0.009","90","","90","","90","","3880","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Cl4 Cu2 N12 O12 -","- C26 H36 Cl4 Cu2 N12 O12 -","- C104 H144 Cl16 Cu8 N48 O48 -","4","1","","Du, Miao; Guo, Ya-Mei; Bu, Xian-He; Ribas, Joan; Monfort, Montserrat","Structural and first magnetic characterization of unique mono-µ-chloro bridged dinuclear CuII complexes with heterocycle-functionalized diazamesocyclic ligands","New Journal of Chemistry","2002","26","7","939","","10.1039/b201962k","","","0.71073","MoKα","","0.1529","0.0578","","","0.111","0.1373","","","","","","0.933","","","","has coordinates","180062","2020-10-21","18:00:00",""
"7050918","11.558","0.005","14.425","0.005","25.091","0.005","90","0.005","90","0.005","90","0.005","4183","2","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H56 Cl6 Fe Ga2 P2 -","- C32 H56 Cl6 Fe Ga2 P2 -","- C128 H224 Cl24 Fe4 Ga8 P8 -","4","1","","Xavier Sava; Mohand Melaimi; Nicolas Mézailles; Louis Ricard; François Mathey; Pascal Le Floch","Cationic diphosphaferrocene gallium dichloride complexes","New J. Chem.","2002","26","10","1378","1383","10.1039/b204075c","","","0.71069","MoKα","","0.0404","0.031","","","0.0678","0.0716","","","","","","1.017","","","","has coordinates","180063","2020-10-21","18:00:00",""
"7050957","11.261","0.002","13.805","0.003","21.546","0.004","90","","90","","90","","3349.5","1.1","160","2","160","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H45 N3 O6 S3 -","- C33 H45 N3 O6 S3 -","- C132 H180 N12 O24 S12 -","4","1","","Scheuermann, J. Erik W.; Ronketti, Fiona; Motevalli, Majid; Griffiths, D. Vaughan; Watkinson, Michael","The synthesis of C2-symmetric 1,4,7-triazacyclononane ligands derived from chiral aziridines","New Journal of Chemistry","2002","26","8","1054","","10.1039/b204818c","","x-ray","0.71073","MoKα","","0.1912","0.0569","","","0.1036","0.1327","","","","","","1.037","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050958","8.18","0.005","23.468","0.008","10.149","0.004","90","","90","","90","","1948.3","1.6","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N2 O2 S -","- C21 H28 N2 O2 S -","- C84 H112 N8 O8 S4 -","4","1","","Scheuermann, J. Erik W.; Ronketti, Fiona; Motevalli, Majid; Griffiths, D. Vaughan; Watkinson, Michael","The synthesis of C2-symmetric 1,4,7-triazacyclononane ligands derived from chiral aziridines","New Journal of Chemistry","2002","26","8","1054","","10.1039/b204818c","","x-ray","0.71073","MoKα","","0.0506","0.0384","","","0.1116","0.1288","","","","","","1.106","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050994","12.1292","0.0013","12.2378","0.0013","16.3811","0.0018","90","","90","","90","","2431.5","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl5 Cr N3 O2 -","- C18 H25 Cl5 Cr N3 O2 -","- C72 H100 Cl20 Cr4 N12 O8 -","4","1","","Miguel A. Esteruelas; Ana M. López; Luis Méndez; Montserrat Oliván; Enrique Oñate","Synthesis, X-ray structure, and polymerisation activity of a bis(oxazolinyl)pyridine chromium(III) complex","New J. Chem.","2002","26","11","1542","1544","10.1039/b207093f","","","0.71073","MoKα","","0.0722","0.0554","","","0.1233","0.1294","","","","","","0.956","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7051005","6.075","0.002","19.042","0.005","20.889","0.008","90","","90","","90","","2416.4","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ethyl 1-[(dineopentoxyphosphoryl)sulfanyl]-3- methyl-2-oxocyclohexanecarboxylate","","","- C20 H37 O6 P S -","- C20 H37 O6 P S -","- C80 H148 O24 P4 S4 -","4","1","","Ewa Krawczyk; Krzysztof Owsianik; Aleksandra Skowrońska; Michał Wieczorek; Wiesław Majzner","An expedient, stereoselective synthesis of highly functionalized cyclic compounds","New J. Chem.","2002","26","12","1753","1767","10.1039/b207700k","","","1.54178","CuKα","","0.0924","0.0503","","0.1368","","0.1136","","","1.042","","","1.107","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051022","8.4308","0.0004","10.5457","0.0005","15.6538","0.0008","90","","90","","90","","1391.76","0.12","200","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O6 -","- C13 H20 O6 -","- C52 H80 O24 -","4","1","","Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J.","Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene","New Journal of Chemistry","2001","25","1","3","","10.1039/b005312k","","","0.71073","MoKα","","","0.049","","","","0.0224","","","","","","0.9997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051023","6.9393","0.0005","10.5584","0.0008","19.7333","0.0008","90","","90","","90","","1445.82","0.16","200","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O6 -","- C13 H22 O6 -","- C52 H88 O24 -","4","1","","Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J.","Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene","New Journal of Chemistry","2001","25","1","3","","10.1039/b005312k","","","0.71073","MoKα","","","0.0397","","","","0.0463","","","","","","0.9641","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051024","6.5102","0.0002","8.9104","0.0004","23.7859","0.0009","90","","90","","90","","1379.78","0.09","200","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O6 -","- C13 H20 O6 -","- C52 H80 O24 -","4","1","","Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J.","Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene","New Journal of Chemistry","2001","25","1","3","","10.1039/b005312k","","","0.71073","MoKα","","","0.0307","","","","0.0204","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051027","6.486","0.004","12.445","0.001","18.327","0.002","90","","90","","90","","1479.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S)-4-Benzyl-3-(4,5-dimethyl-3-pyrazolyl)-1,3-oxazolidin-2-one","","- C15 H17 N3 O2 -","- C15 H17 N3 O2 -","- C60 H68 N12 O8 -","4","1","","Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero","Structure of chiral pyrazoles in the solid state and in solution","New J. Chem.","2001","25","2","329","335","10.1039/b005920j","","","0.71069","MoKα","","0.0479","0.0414","","","0.111","0.113","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051028","6.601","0.009","14.743","0.004","18.895","0.009","90","","90","","90","","1839","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S)-4-Benzyl-3-(4-benzyl-5-methyl-3-pyrazolyl)-1,3-oxazolidin-2-one","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","1","","Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero","Structure of chiral pyrazoles in the solid state and in solution","New J. Chem.","2001","25","2","329","335","10.1039/b005920j","","","0.71069","MoKα","","0.08","0.0463","","","0.0984","0.1022","","","","","","0.886","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051073","8.6688","0.0013","9.4019","0.001","19.222","0.002","90","","90","","90","","1566.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Eastmond, Geoffrey C.; Paprotny, Jerzy; Steiner, Alexander; Swanson, Linda","Synthesis of cyanodibenzo[1,4]dioxines and their derivatives by cyano-activated fluoro displacement reactions","New Journal of Chemistry","2001","25","3","379","","10.1039/b008508l","","","0.71073","MoKα","","0.0407","0.0322","","","0.0712","0.0735","","","","","","0.982","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051096","15.684","0.002","18.737","0.001","11.044","0.003","90","","90","","90","","3245.5","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5-tert-butyl-8-cyanometaparacyclophane-1,9-diene","","","- C21 H19 N -","- C21 H19 N -","- C168 H152 N8 -","8","2","","Yamato, Takehiko; Noda Kozo; Tsuzuki, Hirohisa","Medium-sized cyclophanes. Part 56 5-tert-Butyl-8-substituted [2.2]metaparacyclophane-1,9-dienes. Preparation, X-ray diffraction studies, and their treatment with Lewis acid and protic acid","New Journal of Chemistry","2001","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051101","9.191","0.001","12.292","0.001","21.682","0.002","90","","90","","90","","2449.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 N3 -","- C30 H33 N3 -","- C120 H132 N12 -","4","1","","Ch. Schmidt; E. F. Paulus; V. Boehmer; W. Vogt","","New Journal of Chemistry","2001","","","","","10.1039/b010210p","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051104","5.804","0.001","16.911","0.003","23.518","0.006","90","","90","","90","","2308.3","0.8","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N O P -","- C27 H26 N O P -","- C108 H104 N4 O4 P4 -","4","1","","Andrieu, Jacques; Camus, Jean-Michel; Poli, Rinaldo; Richard, Philippe","New chiral α-aminophosphine oxides and sulfides: an unprecedented rhodium-catalyzed ligand epimerization","New Journal of Chemistry","2001","25","8","1015","","10.1039/b100217l","","","0.71073","MoKα","","0.0409","0.0358","","","0.0858","0.0891","","","","","","1.045","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051144","11.7142","0.0006","13.7436","0.0005","13.8602","0.0006","90","","90","","90","","2231.43","0.17","173","0.1","173","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Ag F3 O3 S -","- C24 H22 Ag F3 O3 S -","- C96 H88 Ag4 F12 O12 S4 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0588","0.0435","","","0.0633","0.0658","","","","","","1.095","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051160","10.154","0.002","17.574","0.004","22.213","0.004","90","","90","","90","","3963.8","1.4","150","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N P2 S2 -","- C18 H25 N P2 S2 -","- C144 H200 N8 P16 S16 -","8","2","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0324","0.0275","","","0.0737","0.0763","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051166","8.776","0.011","10.233","0.016","18.853","0.024","90","","90","","90","","1693","4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","13-isopropyl-7-oxo-podocarpe-5,8,11,13-tetraen-4,6-carbolactone 12","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Silvia M. C. S. Monteiro; Armando J. D. Silvestre; Artur M. S. Silva; José A. S. Cavaleiro; Vitor Félix; Michael G. B. Drew","Synthesis and structural characterisation of ring B oxidised derivatives of dehydroabietic acid","New J. Chem.","2001","25","8","1091","1097","10.1039/b103737b","","","0.71073","MoKα","","0.1163","0.0828","","","0.2126","0.2296","","","","","","1.155","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051208","12.8728","0.0011","15.8948","0.0012","18.2031","0.0014","90","","90","","90","","3724.5","0.5","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 Cu F6 N2 O3 P -","- C36 H54 Cu F6 N2 O3 P -","- C144 H216 Cu4 F24 N8 O12 P4 -","4","1","","Fraysse, Sandrine; von Zelewsky, Alex; Stoeckli-Evans, Helen","A stable chiral diolefin complex of CuI with predetermined configuration at the metal centre","New Journal of Chemistry","2001","25","11","1374","","10.1039/b105870n","","","0.71073","MoKα","","0.1819","0.0567","","","0.0816","0.1123","","","","","","0.65","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051232","19.4597","0.0019","21.273","0.002","10.8452","0.0011","90","","90","","90","","4489.6","0.8","107","","107.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H80 B K N4 O4 -","- C46 H80 B K N4 O4 -","- C184 H320 B4 K4 N16 O16 -","4","1","","Chisholm, Malcolm H.; Iyer, Suri S.; Streib, William E.","Chiral C2 and C1 symmetric (cyclooctane-1,5-diyl)bis(2-pyrazolyl)borate complexes of potassium and thallium. Preparation, structures and solution behavior","New Journal of Chemistry","2000","24","6","393","398","10.1039/a906582b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210743","2020-10-21","18:00:00",""
"7051239","8.392","0.001","12.611","0.002","25.993","0.005","90","","90","","90","","2750.9","0.8","173","0.2","173","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl N2 O11 -","- C25 H33 Cl N2 O11 -","- C100 H132 Cl4 N8 O44 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Lämsä, Markku T.; Jalonen, Jorma; Rissanen, Kari; Pursiainen, Jouni","Complexation of planar, organic, five-membered cations with crown ethers","New Journal of Chemistry","2000","24","1","47","52","10.1039/a907608e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210947","2020-10-21","18:00:00",""
"7051294","11.494","0.003","25.328","0.003","6.1281","0.0005","90","","90","","90","","1784","0.5","288.2","","288.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N2 O3 -","- C18 H27 N2 O3 -","- C72 H108 N8 O12 -","4","1","","Kumagai, Hitoshi; Hosokoshi, Yuko; Markosyan, Ashot S.; Inoue, Katsuya","Synthesis and magnetic properties of a new complex made up of Mn(hfac)2 and a radical with a triplet ground state","New Journal of Chemistry","2000","24","7","537","","10.1039/b001840f","","","0.7107","MoKα","","0.0764","0.0669","","0.0855","0.083","","","","2.047","1.986","1.986","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051295","14.081","0.001","15.94","0.0011","16.0751","0.001","90","","90","","90","","3608.1","0.4","298","","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 F12 Mn N2 O7 -","- C28 H29 F12 Mn N2 O7 -","- C112 H116 F48 Mn4 N8 O28 -","4","1","","Kumagai, Hitoshi; Hosokoshi, Yuko; Markosyan, Ashot S.; Inoue, Katsuya","Synthesis and magnetic properties of a new complex made up of Mn(hfac)2 and a radical with a triplet ground state","New Journal of Chemistry","2000","24","7","537","","10.1039/b001840f","","","0.71073","MoKα","","0.1584","0.069","","","0.1692","0.21","","","","","","0.859","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051350","10.469","0.002","15.8692","0.0009","17.2811","0.0014","90","","90","","90","","2871","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 F3 O4 P2 Pd -","- C32 H23 F3 O4 P2 Pd -","- C128 H92 F12 O16 P8 Pd4 -","4","1","","Bedford, Robin B.; Draper, Sylvia M.; Noelle Scully, P.; Welch, Samantha L.","Palladium bis(phosphinite) 'PCP'-pincer complexes and their application as catalysts in the Suzuki reaction","New Journal of Chemistry","2000","24","10","745","","10.1039/b004793g","","","0.71073","MoKα","","0.1203","0.0863","","","0.2743","0.3108","","","","","","1.199","","","","has coordinates","180067","2020-10-21","18:00:00",""
"7051389","7.053","0.002","13.818","0.005","16.452","0.006","90","","90","","90","","1603.4","0.7","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H24 Cl2 N4 Ti -","- C10 H24 Cl2 N4 Ti -","- C40 H96 Cl8 N16 Ti4 -","4","1","","","","New Journal of Chemistry","1999","","","","","10.1039/a807985d","","","","","","","0.0455","","","0.0475","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051466","7.803","0.001","9.474","0.001","17.819","0.004","90","","90","","90","","1317.3","0.4","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N4 -","- C15 H14 N4 -","- C60 H56 N16 -","4","1","","","Crystal Structures of Amino substituted dicyanoquinodimethanes with Potential Nonlinear Optical Applications","New Journal of Chemistry","1999","","","","","10.1039/a903793d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051486","6.348","0.0001","9.5489","0.0001","18.2304","0.0003","90","","90","","90","","1105.06","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N O5 Zn -","- C9 H9 N O5 Zn -","- C36 H36 N4 O20 Zn4 -","4","1","","Hoong-Kun Fun; S.Shanmuga Sundara Raj; Ren-Gen Xiong; Jing-Lin Zuo; Xiao-Zeng You","(S-(-)-Lactate)(isonicotinato)zinc(II): Structure and Second Harmonic Generation Property if a Chiral Two-dimensional Metal-organic coordination Polymer","New Journal of Chemistry","1999","","","","","10.1039/a905955e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7051519","6.82","0.0011","12.3523","0.0019","25.48","0.004","90","","90","","90","","2146.5","0.6","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 N O6 P -","- C26 H18 N O6 P -","- C104 H72 N4 O24 P4 -","4","1","","Christoph Janiak; Anne-Christine Chamayou; Thomas Dorn","Hydrophilic interior between hydrophobic regions in inverse bilayer structures of cation-1,1'-binaphthalene-2,2'-diyl phosphate salts","New Journal of Chemistry","2006","","","","","10.1039/b510617f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051536","7.9","0.002","10.14","0.003","23.717","0.004","90","","90","","90","","1899.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O7 S -","- C19 H18 N2 O7 S -","- C76 H72 N8 O28 S4 -","4","1","","Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Lis, Tadeusz","Crystal-state studies on p-toluenesulfonates of N-oxyimides—a possible structural basis of serine proteases inhibition","New Journal of Chemistry","2006","30","2","258","","10.1039/b513741a","","","0.71073","MoKα","","0.0431","0.0333","","","0.0657","0.0677","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051538","7.764","0.002","10.265","0.003","19.787","0.004","90","","90","","90","","1577","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O7 S -","- C14 H16 N2 O7 S -","- C56 H64 N8 O28 S4 -","4","1","","Stefanowicz, Piotr; Jaremko, Łukasz; Jaremko, Mariusz; Lis, Tadeusz","Crystal-state studies on p-toluenesulfonates of N-oxyimides—a possible structural basis of serine proteases inhibition","New Journal of Chemistry","2006","30","2","258","","10.1039/b513741a","","","0.71073","MoKα","","0.0524","0.0422","","","0.0824","0.0858","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051545","9.4023","0.0005","15.7925","0.0005","16.3876","0.0005","90","","90","","90","","2433.33","0.17","120","2","120","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 Cl2 N5 Ni O9 -","- C16 H29 Cl2 N5 Ni O9 -","- C64 H116 Cl8 N20 Ni4 O36 -","4","1","","El Ghachtouli, Sanae; Cadiou, Cyril; Déchamps-Olivier, Isabelle; Chuburu, Françoise; Aplincourt, Michel; Patinec, Véronique; Le Baccon, Michel; Handel, Henri; Roisnel, Thierry","Nickel(ii) complexes of cyclen- and cyclam-pyridine: topological reorganisations induced by electron transfer","New Journal of Chemistry","2006","30","3","392","","10.1039/b515107d","","x-ray","0.71073","MoKα","","0.0679","0.0435","","","0.1082","0.124","","","","","","1.011","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051560","8.23","0.003","12.89","0.007","17.337","0.007","90","","90","","90","","1839.2","1.4","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 I K O7 -","- C12 H26 I K O7 -","- C48 H104 I4 K4 O28 -","4","1","","Arnal-Herault, Carole; Barboiu, Mihail; Petit, Eddy; Michau, Mathieu; van der Lee, Arie","Cation‒π interaction: a case for macrocycle‒cation π-interaction by its ureidoarene counteranion","New Journal of Chemistry","2005","29","12","1535","","10.1039/b509240j","","","0.50915","synchrotron","","0.0797","0.0746","","0.0777","0.0769","0.0769","","","","","","0.9855","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051561","8.7154","0.0009","10.755","0.001","32.742","0.003","90","","90","","90","","3069","0.5","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 I K N3 O7 -","- C27 H37 I K N3 O7 -","- C108 H148 I4 K4 N12 O28 -","4","1","","Arnal-Herault, Carole; Barboiu, Mihail; Petit, Eddy; Michau, Mathieu; van der Lee, Arie","Cation‒π interaction: a case for macrocycle‒cation π-interaction by its ureidoarene counteranion","New Journal of Chemistry","2005","29","12","1535","","10.1039/b509240j","","","0.71073","MoKα","","0.0788","0.0317","","0.0387","0.0299","0.0299","","","","","","0.9194","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051562","8.277","0.0011","10.576","0.0013","34.165","0.005","90","","90","","90","","2990.7","0.7","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 I K N2 O9 -","- C25 H38 I K N2 O9 -","- C100 H152 I4 K4 N8 O36 -","4","1","","Arnal-Herault, Carole; Barboiu, Mihail; Petit, Eddy; Michau, Mathieu; van der Lee, Arie","Cation‒π interaction: a case for macrocycle‒cation π-interaction by its ureidoarene counteranion","New Journal of Chemistry","2005","29","12","1535","","10.1039/b509240j","","","0.50915","synchrotron","","0.0258","0.0243","","0.0224","0.0219","0.0219","","","","","","1.0811","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051589","11.462","0.002","11.997","0.002","21.319","0.004","90","","90","","90","","2931.6","0.9","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 K N3 -","- C31 H42 K N3 -","- C124 H168 K4 N12 -","4","1","","Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Lippert, Kai-Alexander; Rose, Richard P.; Stasch, Andreas","Synthesis and characterisation of bulky guanidines and phosphaguanidines: precursors for low oxidation state metallacycles","New Journal of Chemistry","2009","33","1","64","","10.1039/b809120j","","","0.71073","MoKα","","0.1013","0.0737","","","0.1297","0.1371","","","","","","1.117","","","","has coordinates","180069","2020-10-21","18:00:00",""
"7051599","14.3505","0.0012","14.4204","0.0012","33.419","0.003","90","","90","","90","","6915.7","1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","(Ru(4'-(4-Iodophenyl)-4,4''-di(ethoxycarbonyl)-2,2';6',2''- terpyridine))2) ((PF6)2)","","","- C56 H47 F12 I2 N7 O8 P2 Ru -","- C56 H47 F12 I2 N7 O8 P2 Ru -","- C224 H188 F48 I8 N28 O32 P8 Ru4 -","4","1","","Eryazici, Ibrahim; Newkome, George R.","Construction of hexanuclear macrocycles by a coupling strategy from polyfunctionalized bis(terpyridines)","New Journal of Chemistry","2009","33","2","345","","10.1039/b811607e","","","0.71073","MoKα","","0.063","0.0467","","","0.1112","0.1175","","","","","","1.008","","","","has coordinates,has disorder","180069","2020-10-21","18:00:00",""
"7051606","13.5451","0.0007","17.3548","0.001","18.4163","0.001","90","","90","","90","","4329.2","0.4","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 B Cl7 F4 Ir N2 -","- C36 H51 B Cl7 F4 Ir N2 -","- C144 H204 B4 Cl28 F16 Ir4 N8 -","4","1","","Fuentes, José A.; France, Marcia B.; Slawin, Alexandra M. Z.; Clarke, Matthew L.","Iridium complexes of chiral diamines containing carbon and nitrogen stereocentres: synthesis, structure and evaluation as transfer hydrogenation catalysts","New Journal of Chemistry","2009","33","3","466","","10.1039/b812699b","","","0.71073","MoKα","","0.0306","0.029","","","0.057","0.0578","","","","","","1.07","","","","has coordinates","180070","2020-10-21","18:00:00",""
"7051618","5.4647","0.0008","11.1834","0.0017","20.479","0.003","90","","90","","90","","1251.6","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O8 S2 -","- C8 H14 O8 S2 -","- C32 H56 O32 S8 -","4","1","","Craythorne, Steven J.; Pollock, Ciara L.; Blake, Alexander J.; Nieuwenhuyzen, Mark; Marr, Andrew C.; Marr, Patricia C.","A low molecular weight hydro and organogelator derived from an isohexide and sol‒gel transcription of the alcogel","New Journal of Chemistry","2009","33","3","479","","10.1039/b814274b","","","0.71073","MoKα","","0.0344","0.0291","","","0.0693","0.0719","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051665","6.0662","0.0001","8.5638","0.0002","17.8315","0.0004","90","","90","","90","","926.34","0.03","200","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 H2 Cs2 N10 -","- C2 H2 Cs2 N10 -","- C8 H8 Cs8 N40 -","4","1","","Ebespächer, Moritz; Klapötke, Thomas M.; Miró Sabaté, Carles","Nitrogen-rich alkali metal 5,5′-hydrazinebistetrazolate salts: environmentally friendly compounds in pyrotechnic mixtures","New Journal of Chemistry","2009","33","3","517","","10.1039/b818927g","","x-ray","0.71073","MoKα","","0.0175","0.0165","","","0.0376","0.0377","","","","","","1.182","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7051685","11.2621","0.0011","18.2768","0.0017","24.541","0.002","90","","90","","90","","5051.4","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H74 Ba Cu4 N4 O17 -","- C36 H74 Ba Cu4 N4 O17 -","- C144 H296 Ba4 Cu16 N16 O68 -","4","1","","Tahir, Asif Ali; Mazhar, Muhammad; Hamid, Mazhar; Zeller, Matthias; Hunter, Allen D.","Heterobimetallic copper‒barium complexes for deposition of composite oxide thin films","New Journal of Chemistry","2009","33","7","1535","","10.1039/b823024b","","","0.71073","MoKα","","0.068","0.0629","","","0.1668","0.1709","","","","","","1.119","","","","has coordinates,has disorder","180070","2020-10-21","18:00:00",""
"7051735","13.029","0.0018","19.014","0.003","34.024","0.005","90","","90","","90","","8429","2","185","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 N4 O2 -","- C56 H42 N4 O2 -","- C448 H336 N32 O16 -","8","2","","He, Yabing; Bian, Zheng; Kang, Chuanqing; Jin, Rizhe; Gao, Lianxun","Ultrasound-promoted chiral fluorescent organogel","New Journal of Chemistry","2009","33","10","2073","","10.1039/b909127k","","","0.71073","MoKα","","0.1441","0.0866","","","0.2166","0.2625","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7051788","9.0405","0.0009","9.6531","0.001","24.273","0.003","90","","90","","90","","2118.3","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","tris(4-methylthiazol-2-yl)phosphanegold(I) chloride tetrahydrofuran solvate","chlorido[tris(4-methylthiazol-2-yl)phosphane]gold(I) tetrahydrofuran solvate","","- C16 H20 Au Cl N3 O P S3 -","- C16 H20 Au Cl N3 O P S3 -","- C64 H80 Au4 Cl4 N12 O4 P4 S12 -","4","1","","Strasser, Christoph E.; Gabrielli, William F.; Esterhuysen, Catharine; Schuster, Oliver B.; Nogai, Stefan D.; Cronje, Stephanie; Raubenheimer, Helgard G.","Preparation of tris(azolyl)phosphine gold(i) complexes: digold(i) coordination and variation in solid state intermolecular interactions","New Journal of Chemistry","2008","32","1","138","","10.1039/b709896k","","","0.71073","MoKα","","0.0268","0.0245","","","0.0489","0.0495","","","","","","0.906","","","","has coordinates","180071","2020-10-21","18:00:00",""
"7051809","5.3281","0.0002","8.3677","0.0003","28.9434","0.0013","90","","90","","90","","1290.41","0.09","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[1-(4-chlorophenyl)ethyl]pentane-2,4-dione","","- C13 H15 Cl O2 -","- C13 H15 Cl O2 -","- C52 H60 Cl4 O8 -","4","1","","Bertolasi, Valerio; Ferretti, Valeria; Gilli, Paola; Yao, Xiaoquan; Li, Chao-Jun","Substituent effects on keto‒enol tautomerization of β-diketones from X-ray structural data and DFT calculations","New Journal of Chemistry","2008","32","4","694","","10.1039/b714708b","","","0.71073","MoKα","","0.0995","0.0516","","","0.1183","0.1411","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051815","10.162","0.003","10.972","0.003","27.065","0.008","90","","90","","90","","3017.7","1.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 Cl2 N2 O4 Ti -","- C29 H44 Cl2 N2 O4 Ti -","- C116 H176 Cl8 N8 O16 Ti4 -","4","1","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.0508","0.0453","","","0.1201","0.1234","","","","","","1.06","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051816","11.096","0.002","12.761","0.002","26.595","0.005","90","","90","","90","","3765.7","1.1","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H50 N2 O4 Ti -","- C42 H50 N2 O4 Ti -","- C168 H200 N8 O16 Ti4 -","4","1","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.0638","0.0514","","","0.1018","0.1058","","","","","","1.018","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051817","10.8754","0.0008","14.0332","0.0011","17.581","0.0014","90","","90","","90","","2683.2","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N O4 Ti -","- C27 H39 N O4 Ti -","- C108 H156 N4 O16 Ti4 -","4","1","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.0877","0.0552","","","0.0875","0.0953","","","","","","1.037","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051818","8.6073","0.0004","18.8704","0.0009","19.0174","0.0009","90","","90","","90","","3088.9","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 N2 O4 Ti -","- C32 H50 N2 O4 Ti -","- C128 H200 N8 O16 Ti4 -","4","1","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.0898","0.059","","","0.0957","0.1029","","","","","","1.014","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051820","11.3503","0.0012","17.9768","0.0019","20.083","0.002","90","","90","","90","","4097.8","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H50 N2 O4 Ti -","- C48 H50 N2 O4 Ti -","- C192 H200 N8 O16 Ti4 -","4","1","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.1006","0.0627","","","0.1006","0.1098","","","","","","1.004","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051821","11.9885","0.0005","19.3301","0.0009","22.2363","0.001","90","","90","","90","","5153","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C63 H60 Cl2 N2 O4 Ti -","- C63 H60 Cl2 N2 O4 Ti -","- C252 H240 Cl8 N8 O16 Ti4 -","4","1","","Zaitsev, Kirill V.; Bermeshev, Maxim V.; Samsonov, Alexey A.; Oprunenko, Juri F.; Churakov, Andrei V.; Howard, Judith A. L.; Karlov, Sergey S.; Zaitseva, Galina S.","Titanium complexes based on chiral enantiopure dialkanolamines: synthesis, structures and catalytic activity","New Journal of Chemistry","2008","32","8","1415","","10.1039/b714739b","","","0.71073","MoKα","","0.0896","0.0544","","","0.0924","0.1008","","","","","","1.015","","","","has coordinates","180072","2020-10-21","18:00:00",""
"7051846","6.879","0.0003","10.3028","0.0007","15.9544","0.0008","90","","90","","90","","1130.74","0.11","200","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O6 -","- C10 H14 N2 O6 -","- C40 H56 N8 O24 -","4","1","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole‒alcohol‒carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.032","","","","0.032","","","","","","1.62","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051847","10.5317","0.0008","10.5831","0.0009","9.4968","0.001","90","","90","","90","","1058.49","0.16","200","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O4 -","- C11 H12 N2 O4 -","- C44 H48 N8 O16 -","4","1","","Delval, Franck; Spyratou, Alexandra; Verdan, Simon; Bernardinelli, Gerald; Williams, Alan F.","The clash of the synthons: crystal structures of benzimidazole‒alcohol‒carboxylic acids","New Journal of Chemistry","2008","32","8","1394","","10.1039/b717018a","","","0.71073","MoKα","","","0.031","","","","0.03","","","","","","1.38","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051967","4.1115","0.0004","14.688","0.001","17.247","0.002","90","","90","","90","","1041.54","0.17","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 Br O2 S2 -","- C10 H7 Br O2 S2 -","- C40 H28 Br4 O8 S8 -","4","1","","Hergué, Noémie; Leriche, Philippe; Blanchard, Philippe; Allain, Magali; Gallego-Planas, Nuria; Frère, Pierre; Roncali, Jean","Evidence for the contribution of sulfur‒bromine intramolecular interactions to the self-rigidification of thiophene-based π-conjugated systems","New Journal of Chemistry","2008","32","6","932","","10.1039/b802313a","","x-ray","0.71073","MoKα","","","0.0292","","","","0.0721","","","","","","0.978","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051969","15.289","0.0002","17.458","0.0002","18.783","0.0002","90","","90","","90","","5013.47","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H68 N4 O8 -","- C56 H68 N4 O8 -","- C224 H272 N16 O32 -","4","1","","Stibor, Ivan; Budka, Jan; Michlová, Veronika; Tkadlecová, Marcela; Pojarová, Michaela; Cuřínová, Petra; Lhoták, Pavel","Systematic approach to new ligands for anion recognition based on ureido-calix[4]arenes","New Journal of Chemistry","2008","32","9","1597","","10.1039/b802871k","","","0.71073","MoKα","","0.0449","0.0397","","0.0524","0.0474","0.0474","","","","","","1.0463","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051984","4.6376","0.0004","13.5291","0.0011","15.3446","0.0012","90","","90","","90","","962.76","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triiododphlorogluicinol","triiododphlorogluicinol","","- C6 H3 I3 O3 -","- C6 I3 O3 -","- C24 I12 O12 -","4","1","","Nath, Naba K.; Saha, Binoy K.; Nangia, Ashwini","Isostructural polymorphs of triiodophloroglucinol and triiodoresorcinol","New Journal of Chemistry","2008","32","10","1693","","10.1039/b804905j","","","0.71073","MoKα","","0.0242","0.0241","","","0.0602","0.0603","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051985","4.3695","0.0005","14.694","0.0015","14.1839","0.0015","90","","90","","90","","910.68","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triiodophenol","triiodophenol","","- C6 H3 I3 O -","- C6 H2 I3 O -","- C24 H8 I12 O4 -","4","1","","Nath, Naba K.; Saha, Binoy K.; Nangia, Ashwini","Isostructural polymorphs of triiodophloroglucinol and triiodoresorcinol","New Journal of Chemistry","2008","32","10","1693","","10.1039/b804905j","","","0.71073","MoKα","","0.0292","0.029","","","0.07","0.0701","","","","","","1.126","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051986","4.4419","0.0003","14.3683","0.0009","14.573","0.0009","90","","90","","90","","930.09","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triiodophenol, triiodoresorcinol","triiodophenol, triiodoresorcinol","","- C6 H3 I3 O1.5 -","- C6 I3 O1.523 -","- C24 I12 O6.092 -","4","1","","Nath, Naba K.; Saha, Binoy K.; Nangia, Ashwini","Isostructural polymorphs of triiodophloroglucinol and triiodoresorcinol","New Journal of Chemistry","2008","32","10","1693","","10.1039/b804905j","","","0.71073","MoKα","","0.0217","0.0215","","","0.0535","0.0536","","","","","","1.197","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051988","4.4949","0.0007","13.958","0.002","15.036","0.002","90","","90","","90","","943.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Triiodoresorcinol","Triiodoresorcinol","","- C6 H3 I3 O2 -","- C6 I3 O2 -","- C24 I12 O8 -","4","1","","Nath, Naba K.; Saha, Binoy K.; Nangia, Ashwini","Isostructural polymorphs of triiodophloroglucinol and triiodoresorcinol","New Journal of Chemistry","2008","32","10","1693","","10.1039/b804905j","","","0.71073","MoKα","","0.0605","0.0582","","","0.1346","0.1357","","","","","","1.256","","","","has coordinates","180073","2020-10-21","18:00:00",""
"7051989","4.5607","0.0003","13.6484","0.0008","15.3485","0.0009","90","","90","","90","","955.39","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triiodoresorcinol, triiodophloroglucinol","triiodoresorcinol, triiodophloroglucinol","","- C6 H3 I3 O2.5 -","- C6 I3 O2.521 -","- C24 I12 O10.084 -","4","1","","Nath, Naba K.; Saha, Binoy K.; Nangia, Ashwini","Isostructural polymorphs of triiodophloroglucinol and triiodoresorcinol","New Journal of Chemistry","2008","32","10","1693","","10.1039/b804905j","","","0.71073","MoKα","","0.0226","0.0225","","","0.0544","0.0544","","","","","","1.178","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051998","7.421","0.004","7.71","0.004","42.2","0.002","90","","90","","90","","2414.5","1.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","aprepitant, form I","","","- C23 H21 F7 N4 O3 -","- C23 H21 F7 N4 O3 -","- C92 H84 F28 N16 O12 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Laus, Gerhard; Wieser, Josef; Griesser, Ulrich J.","Packing polymorphism of a conformationally flexible molecule (aprepitant)","New Journal of Chemistry","2008","32","10","1677","","10.1039/b805438j","","","0.71073","MoKα","","0.0532","0.0482","","","0.1325","0.1389","","","","","","1.184","","","","has coordinates,has disorder","180073","2020-10-21","18:00:00",""
"7052028","11.3889","0.001","19.1696","0.0017","29.359","0.003","90","","90","","90","","6409.7","1","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H65.5 Eu N Na2 O37.75 S5 -","- C41 H32 Eu N Na2 O33.8 S5 -","- C164 H128 Eu4 N4 Na8 O135.2 S20 -","4","1","","Dalgarno, Scott J.; Warren, John E.; Atwood, Jerry L.; Raston, Colin L.","Versatility of p-sulfonatocalix[5]arene in building up multicomponent bilayers","New Journal of Chemistry","2008","32","12","2100","","10.1039/b810229e","","","0.6903","Synchrotron","","0.0742","0.0542","","","0.138","0.1521","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052052","10.396","0.001","15.421","0.002","18.421","0.005","90","","90","","90","","2953.2","0.9","208","2","208","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","S6-Ethylenecagesilver(i) trifluoromethylsulfonate","S6-Ethylenecagesilver(I) trifluoromethylsulfonate","","- C21 H38 Ag F3 O3 S7 -","- C21 H38 Ag F3 O3 S7 -","- C84 H152 Ag4 F12 O12 S28 -","4","1","","Alberto, Roger; Angst, Daniela; Ortner, Kirstin; Abram, Ulrich; Schubiger, P. August; Kaden, Thomas A.","Syntheses of a series of S6 thioether cages and their coordination chemistry with Ag+","New Journal of Chemistry","2007","31","3","409","","10.1039/b606510b","","","0.71073","MoKα","","0.141","0.0675","","","0.1353","0.1668","","","","","","1.029","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052083","7.7167","0.0001","10.8913","0.0001","18.8973","0.0003","90","","90","","90","","1588.22","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček","Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution","New Journal of Chemistry","2007","31","3","429","","10.1039/b613346k","","","0.7107","MoKα","","0.0421","0.0368","","","0.0894","0.0932","","","","","","1.022","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052087","8.5205","0.0002","12.6244","0.0003","18.1441","0.0004","90","","90","","90","","1951.69","0.08","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O -","- C21 H25 N3 O -","- C84 H100 N12 O4 -","4","1","","Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček","Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution","New Journal of Chemistry","2007","31","3","429","","10.1039/b613346k","","","0.71073","MoKα","","0.0605","0.044","","","0.1106","0.1213","","","","","","1.019","","","","has coordinates","180074","2020-10-21","18:00:00",""
"7052091","6.001","0.0012","18.79","0.004","20.595","0.004","90","","90","","90","","2322.3","0.8","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 O3 -","- C30 H28 O3 -","- C120 H112 O12 -","4","1","","Green, Shaun P.; Jones, Cameron; Stasch, Andreas; Rose, Richard P.","?GaI?: A new reagent for chemo- and diastereoselective C?C bond forming reactions","New Journal of Chemistry","2007","31","1","127","","10.1039/b613669a","","","0.71073","MoKα","","0.0698","0.05","","","0.0901","0.096","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052100","7.256","0.0005","12.7526","0.0008","19.514","0.001","90","","90","","90","","1805.69","0.19","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H20 Cl La O14 S2 -","- C6 H20 Cl La O14 S2 -","- C24 H80 Cl4 La4 O56 S8 -","4","1","","Deacon, Glen B.; Harika, Rita; Junk, Peter C.; Skelton, Brian W.; White, Allan H.","Structural versatility in hydrated rare earth(iii) 1,2-benzenedisulfonates","New Journal of Chemistry","2007","31","5","634","","10.1039/b614681c","","","0.71073","MoKα","","0.024","0.023","","0.03","","0.03","","","1.304","","","1.306","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052130","8.2722","0.0011","11.2447","0.0016","37.776","0.005","90","","90","","90","","3513.9","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-[(1R,2S,5R)-(-)-menthoxymethyl]-3-methylimidazolium chloride hydrate","","- C15 H29 Cl N2 O2 -","- C15 H29 Cl N2 O2 -","- C120 H232 Cl8 N16 O16 -","8","2","","Juliusz Pernak; Joanna Feder-Kubis; Anna Cieniecka-Rosłonkiewicz; Cedric Fischmeister; Scott T. Griffin; Robin D. Rogers","Synthesis and properties of chiral imidazolium ionic liquids with a (1R,2S,5R)-(?)-menthoxymethyl substituent","New Journal of Chemistry","2007","31","6","879","","10.1039/b616215k","","","0.71073","MoKα","","0.0802","0.0486","","","0.0765","0.0838","","","","","","1.015","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052174","7.301","0.005","12.688","0.005","25.728","0.005","90","","90","","90","","2383.3","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H21 N3 Pt -","- C31 H21 N3 Pt -","- C124 H84 N12 Pt4 -","4","1","","Seneclauze, Julie Batcha; Retailleau, Pascal; Ziessel, Raymond","Design and preparation of neutral substituted fluorene- and carbazole-based platinum(ii)‒acetylide complexes","New Journal of Chemistry","2007","31","8","1412","","10.1039/b702374j","","","0.71069","MoKα","","0.0425","0.0307","","","0.0762","0.0901","","","","","","1.159","","","","has coordinates","180075","2020-10-21","18:00:00",""
"7052181","6.24","0.001","12.986","0.001","27.663","0.001","90","","90","","90","","2241.6","0.4","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 P S -","- C29 H21 P S -","- C116 H84 P4 S4 -","4","1","","Moores, Audrey; Cantat, Thibault; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Experimental and theoretical study of phosphinine sulfides","New Journal of Chemistry","2007","31","8","1493","","10.1039/b702851b","","","0.71069","MoKα","","0.0511","0.0384","","","0.0933","0.099","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052201","5.691","0.001","9.359","0.001","41.058","0.001","90","","90","","90","","2186.8","0.5","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Br2 O6 -","- C23 H20 Br2 O6 -","- C92 H80 Br8 O24 -","4","1","","Albrecht, Markus; Schmid, Sören; Dehn, Sabrina; Wickleder, Claudia; Zhang, Shuang; Bassett, Andrew P.; Pikramenou, Zoe; Fröhlich, Roland","Diastereoselective formation of luminescent dinuclear lanthanide(iii) helicates with enantiomerically pure tartaric acid derived bis(β-diketonate) ligands","New Journal of Chemistry","2007","31","10","1755","","10.1039/b705090a","","","0.71073","MoKα","","0.0741","0.0424","","","0.0809","0.0913","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052274","10.16","0.007","12.354","0.009","15.993","0.012","90","","90","","90","","2007","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Cl N3 O7 Re -","- C14 H17 Cl N3 O7 Re -","- C56 H68 Cl4 N12 O28 Re4 -","4","1","","Sonia Nieto; Julio Pérez; Lucía Riera; Víctor Riera; Daniel Miguel","Non-covalent interactions between anions and a cationic rhenium diamine complex: structural characterization of the supramolecular adducts","New Journal of Chemistry","2006","30","6","838","","10.1039/b602907h","","","0.71073","MoKα","","0.0499","0.0452","","","0.1085","0.1131","","","","","","1.053","","","","has coordinates","180076","2020-10-21","18:00:00",""
"7052299","6.3523","0.0013","13.906","0.003","16.582","0.003","90","","90","","90","","1464.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 N8 O -","- C13 H8 N8 O -","- C52 H32 N32 O4 -","4","1","","Emeric Lefebvre; Françoise Conan; Nathalie Cosquer; Jean-Michel Kerbaol; Mathieu Marchivie; Jean Sala-Pala; Marek M. Kubicki; Estelle Vigier; Carlos J. Gomez Garcia","Syntheses, structural characterisation and magnetic properties of Fe(<small>II</small>) and Mn(<small>II</small>) compounds with the pentacyanopropenido ligand; structural characterisation of a substituted pyrazolo[1,5-<i>a</i>]pyrimidine","New Journal of Chemistry","2006","30","8","1197","","10.1039/b605030a","","","0.71073","MoKα","","0.0809","0.04","","","0.0549","0.0611","","","","","","0.929","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052345","8.9398","0.0003","9.4924","0.0003","10.0886","0.0003","90","","90","","90","","856.12","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","p-bromophenyl methyl sulfoxide","p-bromophenyl methyl sulfoxide","","- C7 H7 Br O S -","- C7 H7 Br O S -","- C28 H28 Br4 O4 S4 -","4","1","","Naso, Francesco; Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bertolasi, Valerio","Self-assemblies of chiral p-haloaryl sulfoxides through C?H?O short contacts and halogen involving interactions","New Journal of Chemistry","2006","30","12","1782","","10.1039/b607545b","","","0.71073","MoKα","","0.04","0.0319","","","0.0777","0.081","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052346","9.4483","0.0004","10.3257","0.0005","10.9739","0.0006","90","","90","","90","","1070.62","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","p-bromophenyl i-propyl sulfoxide","p-bromophenyl i-propyl sulfoxide","","- C9 H11 Br O S -","- C9 H11 Br O S -","- C36 H44 Br4 O4 S4 -","4","1","","Naso, Francesco; Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bertolasi, Valerio","Self-assemblies of chiral p-haloaryl sulfoxides through C?H?O short contacts and halogen involving interactions","New Journal of Chemistry","2006","30","12","1782","","10.1039/b607545b","","","0.71073","MoKα","","0.0866","0.0561","","","0.1546","0.172","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052347","6.1391","0.0002","7.7239","0.0002","24.0213","0.0008","90","","90","","90","","1139.04","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","p-bromophenyl phenyl sulfoxide","p-bromophenyl phenyl sulfoxide","","- C12 H9 Br O S -","- C12 H9 Br O S -","- C48 H36 Br4 O4 S4 -","4","1","","Naso, Francesco; Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bertolasi, Valerio","Self-assemblies of chiral p-haloaryl sulfoxides through C?H?O short contacts and halogen involving interactions","New Journal of Chemistry","2006","30","12","1782","","10.1039/b607545b","","","0.71073","MoKα","","0.0562","0.0411","","","0.0964","0.1025","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052348","4.6262","0.0001","9.2833","0.0003","20.717","0.0008","90","","90","","90","","889.72","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chloromethyl p-chlorophenyl sulfoxide","chloromethyl p-chlorophenyl sulfoxide","","- C7 H6 Cl2 O S -","- C7 H6 Cl2 O S -","- C28 H24 Cl8 O4 S4 -","4","1","","Naso, Francesco; Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Capitelli, Francesco; Bertolasi, Valerio","Self-assemblies of chiral p-haloaryl sulfoxides through C?H?O short contacts and halogen involving interactions","New Journal of Chemistry","2006","30","12","1782","","10.1039/b607545b","","","0.71073","MoKα","","0.051","0.0343","","","0.0761","0.0836","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052375","7.232","0.0014","9.89","0.002","24.259","0.005","90","","90","","90","","1735.1","0.6","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Fe N2 -","- C21 H20 Fe N2 -","- C84 H80 Fe4 N8 -","4","1","","Lo, Kenneth Kam-Wing; Lau, Jason Shing-Yip; Zhu, Nianyong","Synthesis, crystal structures, electrochemical and protein-binding properties of ferrocene?indole conjugates","New Journal of Chemistry","2006","30","11","1567","","10.1039/b609052d","","","0.71069","MoKα","","0.0351","0.0261","","","0.0534","0.055","","","","","","0.875","","","","has coordinates","180077","2020-10-21","18:00:00",""
"7052387","11.117","0.001","18.714","0.001","18.941","0.001","90","","90","","90","","3940.6","0.5","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H54 Br2 N2 O P2 -","- C39 H54 Br2 N2 O P2 -","- C156 H216 Br8 N8 O4 P8 -","4","1","","Matthieu Demange; Leila Boubekeur; Audrey Auffrant; Nicolas Mézailles; Louis Ricard; Xavier Le Goff; Pascal Le Floch","A new and convenient approach towards bis(iminophosphoranyl)methane ligands and their dicationic, cationic, anionic and dianionic derivatives","New Journal of Chemistry","2006","30","12","1745","","10.1039/b610049j","","","0.71069","MoKα","","0.0492","0.0342","","","0.0712","0.0758","","","","","","1.038","","","","has coordinates,has disorder","180077","2020-10-21","18:00:00",""
"7052457","8.6574","0.0017","18.3472","0.001","22.6283","0.0015","90","","90","","90","","3594.3","0.8","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 N4 O6 S3 -","- C36 H42 N4 O6 S3 -","- C144 H168 N16 O24 S12 -","4","1","","Ilioudis, Christos A.; Bearpark, Michael J.; Steed, Jonathan W.","Hydrogen bonds between ammonium ions and aromatic rings exist and have key consequences on solid-state and solution phase properties","New Journal of Chemistry","2005","29","1","64","","10.1039/b415532g","","","0.71073","MoKα","","0.212","0.1203","","","0.1668","0.1891","","","","","","1.113","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7052462","29.0586","0.0005","15.9398","0.0002","24.5206","0.0004","90","","90","","90","","11357.7","0.3","156.2","","156.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H56 O Si Yb -","- C35.285 H56 O Si Yb -","- C423.42 H672 O12 Si12 Yb12 -","12","3","","Schultz, Madeleine; Sofield, Chadwick D.; Walter, Marc D.; Andersen, Richard A.","Coordination complexes of bivalent ansa-ytterbocenes: synthesis, structure and comparison with related unbridged ytterbocenes and ansa-ferrocenes","New Journal of Chemistry","2005","29","7","919","","10.1039/b418550a","","","0.7107","MoKα","","0","0.0457","","0","0.0465","0.0465","","","","","","1.235","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7052464","11.7197","0.0002","16.5509","0.0002","17.5383","0.0003","90","","90","","90","","3401.93","0.09","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Li{N(2,6-iPr2C6H3)C(H)N(2,6-iPr2C6H3)}(PMDETA)]","","","- C34 H58 Li N5 -","- C34 H58 Li N5 -","- C136 H232 Li4 N20 -","4","1","","Cole, Marcus L.; Davies, Aaron J.; Jones, Cameron; Junk, Peter C.","Bulky formamidinate complexes of lithium: the first examples of η2:η1-CN,N′ metal amidinate coordination","New Journal of Chemistry","2005","29","11","1404","","10.1039/b511519a","","x-ray","0.71073","MoKα","","0.1003","0.0514","","","0.0983","0.1114","","","","","","0.963","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052535","6.1478","0.0002","7.5477","0.0002","36.0798","0.0001","90","","90","","90","","1674.17","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1R,2S)-2-((2-hydroxy-1,2-diphenyl-ethylimino)-methyl)-phenol","(1R,2S)-2-[(2-hydroxy-1,2-diphenyl-ethylimino)-methyl]-phenol","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Domínguez, Oscar; Rodríguez-Molina, Braulio; Rodríguez, Mario; Ariza, Armando; Farfán, Norberto; Santillan, Rosa","X-Ray crystallographic and spectroscopic properties of eight Schiff bases as evidence of the proton transfer reaction. Role of the intermolecular hydrogen bond","New Journal of Chemistry","2011","35","1","156","","10.1039/c0nj00179a","","x-ray","0.71073","MoKα","","0.094","0.0499","","","0.1158","0.1488","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052572","7.8459","0.0008","11.2785","0.0012","14.4645","0.0015","90","","90","","90","","1280","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Ag Cl N4 O6 S -","- C8 H6 Ag Cl N4 O6 S -","- C32 H24 Ag4 Cl4 N16 O24 S4 -","4","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Supramolecular frameworks constructed from angular-shaped sulfonyldipyrazine and various silver(i) salts","New Journal of Chemistry","2011","35","2","319","","10.1039/c0nj00631a","","","0.71073","MoKα","","0.0405","0.0344","","","0.0887","0.0927","","","","","","1.074","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052574","7.7095","0.0012","10.914","0.0017","14.571","0.002","90","","90","","90","","1226","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Ag N5 O5 S -","- C8 H6 Ag N5 O5 S -","- C32 H24 Ag4 N20 O20 S4 -","4","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Supramolecular frameworks constructed from angular-shaped sulfonyldipyrazine and various silver(i) salts","New Journal of Chemistry","2011","35","2","319","","10.1039/c0nj00631a","","","0.71073","MoKα","","0.0498","0.0368","","","0.0807","0.0872","","","","","","1.024","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052637","8.4741","0.0005","9.4806","0.0005","21.3093","0.0014","90","","90","","90","","1711.98","0.18","89","2","89","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O5 -","- C18 H20 N2 O5 -","- C72 H80 N8 O20 -","4","1","","Olguín, Juan; Brooker, Sally","Synthesis of 3- and 5-formyl-4-phenyl-1H-pyrazoles: promising head units for the generation of asymmetric imine ligands and mixed metal polynuclear complexes","New Journal of Chemistry","2011","35","6","1242","","10.1039/c0nj00774a","","","0.71073","MoKα","","0.0937","0.0624","","","0.1275","0.1438","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052672","10.527","0.002","18.843","0.004","20.461","0.004","90","","90","","90","","4058.6","1.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C224 H160 N16 -","8","2","","Yuan, Yang; Li, Di; Zhang, Xueqiang; Zhao, Xingjia; Liu, Yu; Zhang, Jingying; Wang, Yue","Phenanthroimidazole-derivative semiconductors as functional layer in high performance OLEDs","New Journal of Chemistry","2011","35","7","1534","","10.1039/c1nj20072k","","","0.71073","MoKα","","0.1638","0.0732","","","0.11","0.1333","","","","","","0.984","","","","has coordinates","180080","2020-10-21","18:00:00",""
"7052688","4.9287","0.0007","13.501","0.002","14.126","0.002","90","","90","","90","","940","0.2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H5 I O3 -","- C10 H5 I O3 -","- C40 H20 I4 O12 -","4","1","","Zaware, Santosh B.; Gonnade, Rajesh G.; Srinivas, Darbha; Khan, Ayesha; Rane, Sandhya Y.","Antioxidant and anticancer activities of supramolecularly controlled magnetostructural halo-oximes of lawsone","New Journal of Chemistry","2011","35","8","1615","","10.1039/c1nj20176j","","","0.71073","MoKα","","0.0236","0.023","","","0.0557","0.056","","","","","","1.112","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052771","13.523","0.002","18.277","0.003","18.648","0.003","90","","90","","90","","4609","1.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H47 Cl Cu N5 O5 P2 -","- C51 H47 Cl Cu N5 O5 P2 -","- C204 H188 Cl4 Cu4 N20 O20 P8 -","4","1","","Ni, Qing-Ling; Jiang, Xuan-Feng; Gui, Liu-Cheng; Wang, Xiu-Jian; Yang, Kun-Guo; Bi, Xian-Shu","Synthesis, structures and characterization of a series of Cu(i)-diimine complexes with labile N,N′-bis((diphenylphosphino)methyl)naphthalene-1,5-diamine: diverse structures directed by π‒π stacking interactions","New Journal of Chemistry","2011","35","11","2471","","10.1039/c1nj20355j","","","0.71073","MoKα","","0.0866","0.0565","","","0.1362","0.154","","","","","","1.075","","","","has coordinates","180081","2020-10-21","18:00:00",""
"7052831","6.048","0.0012","7.315","0.0015","24.334","0.005","90","","90","","90","","1076.6","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-pyridyl)amino-1-phenyloethanol","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","1","","Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech","Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups","New Journal of Chemistry","2012","36","3","603","","10.1039/c1nj20584f","","","0.8162","synchrotron","","0.0449","0.0442","","","0.1229","0.1238","","","","","","1.059","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052895","10.5081","0.0002","11.2379","0.0004","14.8903","0.0004","90","","90","","90","","1758.38","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 B N2 Zr -","- C20 H25 B N2 Zr -","- C80 H100 B4 N8 Zr4 -","4","1","","Glöckner, Andreas; Cui, Peng; Chen, Yaofeng; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Boratatrozircenes: cycloheptatrienyl zirconium boratabenzene sandwich complexes ‒ evaluation of potential η6‒η5 hapticity interconversions","New Journal of Chemistry","2012","36","6","1392","","10.1039/c2nj40059f","","","0.71073","MoKα","","0.0298","0.0236","","","0.0449","0.0466","","","","","","1.06","","","","has coordinates","180082","2020-10-21","18:00:00",""
"7052949","11.9596","0.0003","12.1855","0.0002","19.6639","0.0002","90","","90","","90","","2865.69","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H42 Co2 N4 O14 -","- C20 H34 Co2 N4 O14 -","- C80 H136 Co8 N16 O56 -","4","1","","Prikhod'ko, Alexander; Pointillart, Fabrice; Golhen, Stéphane; Gavrilenko, Konstantin S.; Ouahab, Lahcène; Kolotilov, Sergey V.","Synthesis, structure, circular dichroism of a Δ(−)546-di-μ-hydroxo-tetrakis(S-prolinato)dicobalt(iii) complex and NMR study of its interaction with chiral and non-chiral probes in solutions","New Journal of Chemistry","2012","36","10","2070","","10.1039/c2nj40447h","","","0.71073","MoKα","","0.0563","0.045","","","0.1168","0.1241","","","","","","1.097","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052952","5.1873","0.0003","9.245","0.0005","25.3594","0.0011","90","","90","","90","","1216.15","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C52 H48 N16 O4 -","4","1","","Lin, Lirong; Fan, Weizhen; Chen, Shui; Ma, Jie; Hu, Wangxia; Lin, Yiji; Zhang, Hui; Huang, Rongbin","Photochromism of (E)-4-phenyl-1-(pyridine-2-ylmethylene)semicarbazide","New Journal of Chemistry","2012","36","12","2562","","10.1039/c2nj40468k","","","0.71073","MoKα","","0.0732","0.0338","","","0.0544","0.062","","","","","","0.816","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052962","9.068","0.005","19.055","0.005","20.228","0.005","90","0.005","90","0.005","90","0.005","3495","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N O P -","- C20 H20 N O P -","- C160 H160 N8 O8 P8 -","8","2","","Naktode, Kishor; Kottalanka, Ravi K.; Panda, Tarun K.","N-(2,6-Dimethylphenyl)diphenylphosphinamine chalcogenides (S, Se) and a zirconium complex possessing phosphanylamide in the coordination sphere","New Journal of Chemistry","2012","36","11","2280","","10.1039/c2nj40646b","","","0.71069","MoKα","","0.0402","0.0385","","","0.1023","0.1043","","","","","","1.036","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052967","7.0325","0.0017","9.919","0.0012","12.475","0.0006","90","","90","","90","","870.2","0.2","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 N10 -","- C4 H6 N10 -","- C16 H24 N40 -","4","1","","Tang, Yongxing; Yang, Hongwei; Shen, Jianhua; Wu, Bo; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","Synthesis and characterization of 1,1′-azobis(5-methyltetrazole)","New Journal of Chemistry","2012","36","12","2447","","10.1039/c2nj40731k","","","0.71073","MoKα","","0.032","0.031","","","0.0745","0.0751","","","","","","1.049","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7053016","5.9087","0.0002","12.77","0.0005","21.8373","0.0007","90","","90","","90","","1647.71","0.1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4,4'-(phenylmethylene)bis(methoxybenzene)","4,4'-(phenylmethylene)bis(methoxybenzene)","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","1","","Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj","Friedel‒Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols","New Journal of Chemistry","2013","37","3","563","","10.1039/c2nj40871f","","","0.7107","MoKα","","0.0407","0.0341","","","0.0757","0.0807","","","","","","1.066","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053144","7.0459","0.0002","11.048","0.003","15.4564","0.0004","90","","90","","90","","1203.2","0.3","120","2","120.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 N4 O4 -","- C13 H8 N4 O4 -","- C52 H32 N16 O16 -","4","1","","Alkorta, Ibon; Cossío, Fernando P.; Elguero, José; Fresno, Nieves; Hernandez-Folgado, Laura; García-Granda, Santiago; Menéndez-Taboada, Laura; Pérez-Fernández, Ruth; Reviriego, Felipe; Vázquez-Viñuela, Lucia","The reaction of NH-indazoles with 1-fluoro-2,4-dinitrobenzene: the unusual formation of benzotriazole-N-oxides","New Journal of Chemistry","2013","37","8","2384","","10.1039/c3nj00186e","","","1.5418","CuKα","","0.0383","0.0335","","","0.0768","0.0796","","","","","","1.073","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053150","15.0911","0.0014","16.7006","0.0016","24.236","0.002","90","","90","","90","","6108.2","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H62 Co6 N8 O31 -","- C30 H24 Co6 N4 O22 -","- C120 H96 Co24 N16 O88 -","4","1","","Li, Zongze; Du, Lin; Zhou, Jie; Li, Lin; Hu, Yan; Qiao, Yongfeng; Xie, Mingjin; Zhao, Qihua","A chiral porous cobalt‒organic framework based on reinforced sinusoidal-like SBUs involving in situ-generated formate","New Journal of Chemistry","2013","37","8","2473","","10.1039/c3nj00236e","","","0.71073","MoKα","","0.0763","0.0481","","","0.0721","0.078","","","","","","0.933","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053165","11.6","0.0002","16.6558","0.0003","35.0297","0.0007","90","","90","","90","","6768","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H100 Cu3 N6 O23 -","- C54 H78 Cu3 N6 O23 -","- C216 H312 Cu12 N24 O92 -","4","1","","Tanaka, Koichi; Asakura, Azusa; Muraoka, Toshihide; Kalicki, Przemysław; Urbanczyk-Lipkowska, Zofia","Asymmetric direct aldol reactions catalyzed by chiral amine macrocycle‒metal(ii) complexes under solvent-free conditions","New Journal of Chemistry","2013","37","9","2851","","10.1039/c3nj00361b","","","0.7107","MoKα","","0.0632","0.0561","","","0.153","0.1607","","","","","","1.162","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053182","8.237","0.0016","12.791","0.003","12.916","0.003","90","","90","","90","","1360.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H3 N7 O10 -","- C9 H3 N7 O10 -","- C36 H12 N28 O40 -","4","1","","Hou, Kehui; Ma, Congming; Liu, Zuliang","Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole","New Journal of Chemistry","2013","37","9","2837","","10.1039/c3nj00521f","","","0.71073","MoKα","","0.0808","0.0608","","","0.1465","0.1594","","","","","","1.002","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053183","8.4941","0.0007","12.7651","0.001","13.3699","0.0012","90","","90","","90","","1449.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H4 N8 O10 -","- C9 H4 N8 O10 -","- C36 H16 N32 O40 -","4","1","","Hou, Kehui; Ma, Congming; Liu, Zuliang","Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole","New Journal of Chemistry","2013","37","9","2837","","10.1039/c3nj00521f","","","0.71073","MoKα","","0.1468","0.078","","","0.1453","0.1809","","","","","","1.044","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053184","9.158","0.0018","12.318","0.003","12.862","0.003","90","","90","","90","","1450.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 N9 O10 -","- C9 H5 N9 O10 -","- C36 H20 N36 O40 -","4","1","","Hou, Kehui; Ma, Congming; Liu, Zuliang","Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole","New Journal of Chemistry","2013","37","9","2837","","10.1039/c3nj00521f","","","0.71073","MoKα","","0.0823","0.0535","","","0.1381","0.1575","","","","","","1.003","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053416","13.687","0.005","21.666","0.005","7.258","0.005","90","","90","","90","","2152.3","1.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 O7 P2 -","- C13 H20 O7 P2 -","- C52 H80 O28 P8 -","4","1","","Murugavel, Ramaswamy; Singh, Mayank Pratap","One, two, and three methylene phosphonic acid groups (‒CH2PO3H2) on a mesitylene ring: synthesis, characterization and aspects of supramolecular aggregation","New Journal of Chemistry","2010","34","9","1846","","10.1039/b9nj00691e","","","0.71073","MoKα","","0.1886","0.0977","","","0.2464","0.2652","","","","","","0.756","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053429","9.657","0.0019","10.144","0.002","21.513","0.004","90","","90","","90","","2107.4","0.7","290","2","290","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Cl N2 O P Rh -","- C22 H17 Cl N2 O P Rh -","- C88 H68 Cl4 N8 O4 P4 Rh4 -","4","1","","Beeren, Sophie R.; Dabb, Serin L.; Edwards, Gavin; Smith, Matthew K.; Willis, Anthony C.; Messerle, Barbara A.","Improving intramolecular hydroamination Rh(i) and Ir(i) catalysts through targeted ligand modification","New Journal of Chemistry","2010","34","6","1200","","10.1039/b9nj00759h","","","0.71073","MoKα","","0.0458","0.0288","","","0.0588","0.066","","","","","","0.987","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053461","11.0026","0.0002","13.7703","0.0002","33.8233","0.0005","90","","90","","90","","5124.54","0.14","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 Al Ge -","- C26 H35 Al Ge -","- C208 H280 Al8 Ge8 -","8","2","","Uhl, Werner; Rohling, Martina; Kösters, Jutta","Hydroalumination of dialkynylgermanes—synthesis of alkenyl‒alkynylgermanes with intramolecular aluminium‒carbon interactions","New Journal of Chemistry","2010","34","8","1630","","10.1039/c0nj00050g","","","1.54184","CuKα","","0.0269","0.0261","","","0.0681","0.0686","","","","","","1.037","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053466","9.419","0.002","12.174","0.003","13.334","0.003","90","","90","","90","","1529","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07029","","","- C17 H17 N O5 -","- C17 H17 N O5 -","- C68 H68 N4 O20 -","4","1","","Li, Hongyan; Antoline, Jennifer E.; Yang, Jin-Haek; Al-Rashid, Ziyad F; Hsung, Richard P.","A Stereoselective Intramolecular Cyclopropanation via a De Novo Class of Push-Pull Carbenes Derived from DMDO-Epoxidations of Chiral Ynamides.","New journal of chemistry = Nouveau journal de chimie","2010","34","7","1309","1316","10.1039/c0nj00063a","","","0.71073","MoKα","","0.0332","0.03","","","0.0699","0.0718","","","","","","1.013","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053470","10.2183","0.0009","10.4772","0.0009","12.5802","0.0011","90","","90","","90","","1346.8","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07221","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Li, Hongyan; Antoline, Jennifer E.; Yang, Jin-Haek; Al-Rashid, Ziyad F; Hsung, Richard P.","A Stereoselective Intramolecular Cyclopropanation via a De Novo Class of Push-Pull Carbenes Derived from DMDO-Epoxidations of Chiral Ynamides.","New journal of chemistry = Nouveau journal de chimie","2010","34","7","1309","1316","10.1039/c0nj00063a","","","0.71073","MoKα","","0.0323","0.0296","","","0.0772","0.0799","","","","","","1.005","","","","has coordinates","180088","2020-10-21","18:00:00",""
"7053487","11.4705","0.0014","21.891","0.003","30.387","0.004","90","","90","","90","","7630.2","1.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","04357","","","- C49 H113 Ba2 K O Si10 -","- C49 H113 Ba2 K O Si10 -","- C196 H452 Ba8 K4 O4 Si40 -","4","1","","Quisenberry, Keith T.; White, Rosemary E.; Hanusa, Timothy P.; Brennessel, William W.","Allyl complexes of the heavy alkaline-earth metals: molecular structure and catalytic behavior","New Journal of Chemistry","2010","34","8","1579","","10.1039/c0nj00084a","","","0.71073","MoKα","","0.045","0.0349","","","0.0819","0.0882","","","","","","1.031","","","","has coordinates,has disorder","180088","2020-10-21","18:00:00",""
"7053545","9.153","0.003","10.506","0.004","35.335","0.012","90","","90","","90","","3398","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,3,4,5-tetraphenyl-1-(2',4',6'-triisopropylphenyl)-1H- phosphole-1-oxide","2,3,4,5-tetraphenyl-1-(2',4',6'-triisopropylphenyl)-1H-phosphole-1-oxide","","- C43 H43 O P -","- C43 H43 O P -","- C172 H172 O4 P4 -","4","1","","Fukazawa, Aiko; Ichihashi, Yasunori; Yamaguchi, Shigehiro","Intense fluorescence of 1-aryl-2,3,4,5-tetraphenylphosphole oxides in the crystalline state","New Journal of Chemistry","2010","34","8","1537","","10.1039/c0nj00155d","","","0.7107","MoKα","","0.0326","0.0311","","","0.0712","0.0722","","","","","","1.086","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7053580","11.0845","0.0005","12.522","0.0005","30.1245","0.0013","90","","90","","90","","4181.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 I2 In N3 O2 -","- C36 H63 I2 In N3 O2 -","- C144 H252 I8 In4 N12 O8 -","4","1","","Piskunov, Alexandr V.; Mescheryakova, Irina N.; Fukin, Georgy K.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","Indium(iii) complexes with o-iminobenzoquinone in different redox states","New Journal of Chemistry","2010","34","8","1746","","10.1039/c0nj00229a","","","0.71073","MoKα","","0.0207","0.0193","","","0.0445","0.0451","","","","","","1.082","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7053591","10.4652","0.0003","14.9511","0.0004","28.3327","0.0006","90","","90","","90","","4433.1","0.2","93.1","","93.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H35 Co N6 O11.5 P3 -","- C9 H35 Co N6 O11.5 P3 -","- C72 H280 Co8 N48 O92 P24 -","8","2","","Sunatsuki, Yukinari; Miyahara, Sho; Suzuki, Takayoshi; Kojima, Masaaki; Nakashima, Toshio; Matsumoto, Naohide; Galsbøl, Frode","Homochiral column structure of rac- and Λ-[MIII(tn)3]P3O9 (M = Co, Cr; tn = 1,3-diaminopropane; P3O9 = cyclotriphosphate(3−)) produced by multiple hydrogen bonds","New Journal of Chemistry","2010","34","12","2777","","10.1039/c0nj00270d","","","0.71075","MoKα","","","0.0283","","","","0.0417","","","","","","1.024","","","","has coordinates","275251","2022-05-09","02:09:31",""
"7053592","10.4697","0.0003","14.984","0.0003","28.6381","0.0006","90","","90","","90","","4492.69","0.18","103.1","","103.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H35 Cr N6 O11.5 P3 -","- C9 H35 Cr N6 O11.5 P3 -","- C72 H280 Cr8 N48 O92 P24 -","8","2","","Sunatsuki, Yukinari; Miyahara, Sho; Suzuki, Takayoshi; Kojima, Masaaki; Nakashima, Toshio; Matsumoto, Naohide; Galsbøl, Frode","Homochiral column structure of rac- and Λ-[MIII(tn)3]P3O9 (M = Co, Cr; tn = 1,3-diaminopropane; P3O9 = cyclotriphosphate(3−)) produced by multiple hydrogen bonds","New Journal of Chemistry","2010","34","12","2777","","10.1039/c0nj00270d","","","0.71075","MoKα","","","0.0273","","","","0.0511","","","","","","1.004","","","","has coordinates","275251","2022-05-09","02:09:31",""
"7053598","9.4","0.001","11.887","0.001","24.07","0.001","90","","90","","90","","2689.5","0.4","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 B Nd O Si -","- C32 H34 B Nd O Si -","- C128 H136 B4 Nd4 O4 Si4 -","4","1","","Cortial, Guillaume; Le Goff, Xavier-Frederic; Bousquié, Magali; Boisson, Christophe; Le Floch, Pascal; Nief, François; Thuilliez, Julien","Neutral ansa-bis(fluorenyl)silane neodymium borohydrides: synthesis, structural study and behaviour as catalysts in butadiene‒ethylene copolymerisation","New Journal of Chemistry","2010","34","10","2290","","10.1039/c0nj00274g","","","0.71069","MoKα","","0.0548","0.038","","","0.0913","0.1367","","","","","","1.084","","","","has coordinates","180089","2020-10-21","18:00:00",""
"7053616","12.299","0.001","19.674","0.001","22.075","0.001","90","","90","","90","","5341.5","0.6","150","0.1","150","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C54 H52 B Cl4 F4 N2 P4 Rh -","- C54 H52 B Cl4 F4 N2 P4 Rh -","- C216 H208 B4 Cl16 F16 N8 P16 Rh4 -","4","1","","Buchard, Antoine; Payet, Elina; Auffrant, Audrey; Goff, Xavier Le; Floch, Pascal Le","Iminophosphorane-based [P2N2] rhodium complexes: synthesis, reactivity, and application in catalysed transfer hydrogenation of polar bonds","New Journal of Chemistry","2010","34","12","2943","","10.1039/c0nj00299b","","","0.71069","MoKα","","0.0509","0.0354","","","0.0724","0.0777","","","","","","0.993","","","","has coordinates","180090","2020-10-21","18:00:00",""
"7053696","9.1246","0.001","20.319","0.002","47.951","0.005","90","","90","","90","","8890.2","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N8 O5.08 S2 -","- C27 H36 N8 O5.08333 S2 -","- C324 H432 N96 O61 S24 -","12","3","","Blondeau, Pascal; Benet-Buchholz, Jordi; de Mendoza, Javier","Enthalpy driven nitrate complexation by guanidinium-based macrocycles","New Journal of Chemistry","2007","31","5","736","","10.1039/b616409a","","","0.71073","MoKα","","0.105","0.0752","","","0.1644","0.1787","","","","","","1.091","","","","has coordinates,has disorder","180090","2020-10-21","18:00:00",""
"7053744","12.29","0.016","13.837","0.02","19.51","0.03","90","","90","","90","","3318","8","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1-Ethyl-2-cyanopyridinium bis{(trifluoromethyl)sulfonyl}amide","","- C10 H9 F6 N3 O4 S2 -","- C10 H9 F6 N3 O4 S2 -","- C80 H72 F48 N24 O32 S16 -","8","2","","Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J.","Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts","New Journal of Chemistry","2008","32","11","1953","","10.1039/b805063e","","","0.71073","MoKα","","0.1624","0.0775","","","0.1819","0.2581","","","","","","1.014","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053769","11.55","0.002","13.138","0.003","20.046","0.004","90","","90","","90","","3041.9","1.1","291","2","291","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 Cl Fe N O P Pd -","- C35 H31 Cl Fe N O P Pd -","- C140 H124 Cl4 Fe4 N4 O4 P4 Pd4 -","4","1","","Qian, Hengyu; Cui, Xiuling; Tang, Mingsheng; Liu, Chunhui; Liu, Cheng; Wu, Yangjie","Synthesis and structure of heteroannular cyclopalladated chiral ferrocenylimines: theoretical interpretation of the cyclopalladated complexes based on density functional calculations","New Journal of Chemistry","2009","33","3","668","","10.1039/b816826a","","","0.71073","MoKα","","0.0443","0.0301","","","0.0482","0.0501","","","","","","0.929","","","","has coordinates","180091","2020-10-21","18:00:00",""
"7053818","4.5748","0.0003","13.0074","0.0009","17.0717","0.0012","90","","90","","90","","1015.87","0.12","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Johnston, Karen A.; McNab, Hamish","Synthesis and properties of 5,6-dihydrodipyrrolo[1,2-d;2′,1′-g][1,4]diazepin-11-one","New Journal of Chemistry","2009","33","8","1703","","10.1039/b906802n","","","0.71073","MoKα","","0.0842","0.0703","","0.1841","0.1737","0.1841","","","","","","1.026","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053853","7.5322","0.0015","16.363","0.003","24.127","0.005","90","","90","","90","","2973.6","1","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H N O -","- C35 H41 N O4 -","- C140 H164 N4 O16 -","4","1","","Yao, Guiyang; Li, Yajun; Zhu, Yongtao; Pan, Yingming; Huang, Fuping; Wang, Hengshan; Liao, Zhixin","Protonation-controlled axial chirality in maleopimaric imides","New Journal of Chemistry","2014","38","2","693","","10.1039/c3nj01194a","","","0.7107","Molybdenum","","0.2486","0.1379","","","0.2417","0.2804","","","","","","1.152","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053854","8.54394","0.00018","14.0556","0.0004","24.3015","0.0007","90","","90","","90","","2918.37","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 N2 O4 -","- C34 H40 N2 O4 -","- C136 H160 N8 O16 -","4","1","","Yao, Guiyang; Li, Yajun; Zhu, Yongtao; Pan, Yingming; Huang, Fuping; Wang, Hengshan; Liao, Zhixin","Protonation-controlled axial chirality in maleopimaric imides","New Journal of Chemistry","2014","38","2","693","","10.1039/c3nj01194a","","","0.71073","MoKα","","0.0476","0.0431","","","0.1085","0.1118","","","","","","1.037","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053868","6.1828","0.0002","14.6917","0.0008","16.9541","0.0005","90","","90","","90","","1540.04","0.11","298","2","298","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","san557 mario","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Jiménez-Sánchez, Arturo; Rodríguez, Mario; Métivier, Rémi; Ramos-Ortíz, Gabriel; Maldonado, Jose Luis; Réboles, Netzahualcoyotl; Farfán, Norberto; Nakatani, Keitaro; Santillan, Rosa","Synthesis and crystal structures of a series of Schiff bases: a photo-, solvato- and acidochromic compound","New Journal of Chemistry","2014","38","2","730","","10.1039/c3nj00895a","","x-ray","0.71073","MoKα","","0.0944","0.0536","","","0.1051","0.1213","","","","","","1.039","","","","has coordinates","180092","2020-10-21","18:00:00",""
"7053956","8.152","0.003","10.886","0.004","14.782","0.005","90","","90","","90","","1311.8","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy O6 -","- C11 H15 Dy O6 -","- C44 H60 Dy4 O24 -","4","1","","Sun, Ming-Ling; Zhang, Xin; Huang, Yuan-Yuan; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Homochiral 3D lanthanide camphorates with high thermal stability","New Journal of Chemistry","2014","38","1","55","","10.1039/c3nj00981e","","","0.71073","MoKα","","0.0314","0.0293","","","0.0742","0.0754","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053957","8.1178","0.0005","10.9087","0.0007","14.7493","0.001","90","","90","","90","","1306.12","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er O6 -","- C11 H15 Er O6 -","- C44 H60 Er4 O24 -","4","1","","Sun, Ming-Ling; Zhang, Xin; Huang, Yuan-Yuan; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Homochiral 3D lanthanide camphorates with high thermal stability","New Journal of Chemistry","2014","38","1","55","","10.1039/c3nj00981e","","","0.71073","MoKα","","0.0381","0.0352","","","0.0826","0.0844","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053958","8.1824","0.0003","10.8837","0.0005","14.7894","0.0009","90","","90","","90","","1317.07","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho O6 -","- C11 H15 Ho O6 -","- C44 H60 Ho4 O24 -","4","1","","Sun, Ming-Ling; Zhang, Xin; Huang, Yuan-Yuan; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Homochiral 3D lanthanide camphorates with high thermal stability","New Journal of Chemistry","2014","38","1","55","","10.1039/c3nj00981e","","","0.71073","MoKα","","0.0341","0.032","","","0.0731","0.0747","","","","","","1.054","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053967","13.2941","0.0005","4.6884","0.0002","21.0334","0.001","90","","90","","90","","1310.97","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","Compound 2","","","- C10 H18 Cl2 N2 -","- C10 H18 Cl2 N2 -","- C40 H72 Cl8 N8 -","4","1","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.0983","0.0509","","","0.1092","0.1306","","","","","","1.021","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7053974","6.9619","0.0002","13.4095","0.0005","35.1631","0.0009","90","","90","","90","","3282.67","0.18","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","Compound 17","","","- C28 H38 Cl5 In N2 O2 -","- C28 H38 Cl5 In N2 O2 -","- C112 H152 Cl20 In4 N8 O8 -","4","1","","Rojas-Sáenz, Héctor; Suárez-Moreno, Galdina V.; Ramos-García, Iris; Duarte-Hernández, Angélica M.; Mijangos, Edgar; Peña-Hueso, Adrián; Contreras, Rosalinda; Flores-Parra, Angelina","1,4-Dialkyl-1,4-diazabutadienes: their reactions with aluminum and indium halides","New Journal of Chemistry","2014","38","1","391","","10.1039/c3nj01226c","","x-ray","0.71073","MoKα","","0.1719","0.0707","","","0.1152","0.1444","","","","","","0.994","","","","has coordinates,has disorder","180093","2020-10-21","18:00:00",""
"7053983","8.8662","0.0006","10.172","0.0006","16.634","0.0011","90","","90","","90","","1500.17","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[CuCl2(1-Htza)2(H2O)].H2O","","","- C6 H12 Cl2 Cu N8 O6 -","- C6 H12 Cl2 Cu N8 O6 -","- C24 H48 Cl8 Cu4 N32 O24 -","4","1","","Chen, Jun; Wang, Shuai-Hua; Liu, Zhi-Fa; Wu, Mei-Feng; Xiao, Yu; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Anion-directed self-assembly of Cu(ii) coordination compounds with tetrazole-1-acetic acid: syntheses in ionic liquids and crystal structures","New Journal of Chemistry","2014","38","1","269","","10.1039/c3nj01198d","","","0.71073","MoKα","","0.0492","0.0392","","","0.0769","0.0809","","","","","","1.004","","","","has coordinates","180093","2020-10-21","18:00:00",""
"7054083","8.177","0.001","11.319","0.001","20.788","0.001","90","","90","","90","","1924","0.3","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N3 O8 S -","- C15 H16 F3 N3 O8 S -","- C60 H64 F12 N12 O32 S4 -","4","1","","Chaume, Grégory; Feytens, Debby; Chassaing, Gérard; Lavielle, Solange; Brigaud, Thierry; Miclet, Emeric","Conformational properties of peptides incorporating a fluorinated pseudoproline residue","New Journal of Chemistry","2013","37","5","1336","","10.1039/c3nj41084f","","","0.71069","MoKα","","0.044","0.0345","","","0.0791","0.0829","","","","","","1.056","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054084","6.8983","0.0006","12.0634","0.001","12.5086","0.001","90","","90","","90","","1040.93","0.15","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 Cl F N O -","- C9 H17 Cl F N O -","- C36 H68 Cl4 F4 N4 O4 -","4","1","","Dutheuil, Guillaume; Pierry, Camille; Villiers, Emilie; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Straightforward asymmetric synthesis of Ala-Ψ[CFCH]-Pro, a proline-containing pseudodipeptide bearing a fluoroolefin as a peptide bond mimic","New Journal of Chemistry","2013","37","5","1320","","10.1039/c2nj40891k","","x-ray","0.71073","MoKα","","0.0272","0.0266","","","0.0689","0.07","","","","","","1.118","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054101","14.781","0.0002","15.101","0.0002","29.119","0.0004","90","","90","","90","","6499.59","0.15","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33.5 H49 Al N2 O2 -","- C33.5 H49 Al N2 O2 -","- C268 H392 Al8 N16 O16 -","8","2","","Hancock, Stuart L.; Jones, Matthew D.; Langridge, Conrad J.; Mahon, Mary F.","Al(iii)‒homopiperazine complexes and their exploitation for the production of polyesters","New Journal of Chemistry","2012","36","9","1891","","10.1039/c2nj40300e","","","0.71073","MoKα","","0.0676","0.0619","","","0.1606","0.1651","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7054105","6.877","0.0014","9.2116","0.0018","22.056","0.004","90","","90","","90","","1397.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N4 O6 -","- C13 H12 N4 O6 -","- C52 H48 N16 O24 -","4","1","","Ding, Xue-Hua; Cui, Lin-Fang; Li, Yong-Hua; Wang, Shi; Huang, Wei","Proton-transfer supramolecular salts resulting from 3,5-dinitrobenzoic acid and aminomethyl pyridine","New Journal of Chemistry","2012","36","9","1884","","10.1039/c2nj40252a","","","0.71073","MoKα","","0.0456","0.0388","","","0.0881","0.0915","","","","","","1.083","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054119","8.0476","0.0007","11.4511","0.001","16.8556","0.0014","90","","90","","90","","1553.3","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl Mo N2 O2 -","- C15 H13 Cl Mo N2 O2 -","- C60 H52 Cl4 Mo4 N8 O8 -","4","1","","Bruno, Sofia M.; Gomes, Ana C.; Gamelas, Carla A.; Abrantes, Marta; Oliveira, M. Conceição; Valente, Anabela A.; Almeida Paz, Filipe A.; Pillinger, Martyn; Romão, Carlos C.; Gonçalves, Isabel S.","Application of an indenyl molybdenum dicarbonyl complex in the isomerisation of α-pinene oxide to campholenic aldehyde","New Journal of Chemistry","2014","38","7","3172","","10.1039/c4nj00371c","","","0.71073","MoKα","","0.0271","0.0233","","","0.0446","0.0457","","","","","","1.044","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054140","5.4823","0.0009","12.217","0.002","15.168","0.003","90","","90","","90","","1015.9","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 B F3 N2 O3 -","- C9 H6 B F3 N2 O3 -","- C36 H24 B4 F12 N8 O12 -","4","1","","Nizhnik, Yakov P.; Lu, Jianjiang; Rosokha, Sergiy V.; Kochi, Jay K.","Lewis acid effects on donor‒acceptor associations and redox reactions: ternary complexes of heteroaromatic N-oxides with boron trifluoride and organic donors","New Journal of Chemistry","2009","33","11","2317","","10.1039/b9nj00205g","","","0.71073","MoKα","","0.0663","0.0444","","","0.0904","0.0999","","","","","","1.026","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054152","8.0437","0.0003","9.7182","0.0002","19.7716","0.0006","90","","90","","90","","1545.55","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>'-[(1<i>E</i>)-1-(3-methoxyphenyl)ethylidene]benzenesulfonohydrazide","<i>N</i>'-[(1<i>E</i>)-1-(3-methoxyphenyl)ethylidene]benzenesulfonohydrazide","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","","Blatova, Olga A.; Asiri, Abdullah M.; Al-amshany, Zahra M.; Arshad, Muhammad Nadeem; Blatov, Vladislav A.","Molecular packings and specific-bonding patterns in sulfonamides","New Journal of Chemistry","2014","38","9","4099","","10.1039/C4NJ00392F","","","1.54184","CuKα","","0.0321","0.0297","","","0.0744","0.0763","","","","","","1.065","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054154","7.968","0.004","8.368","0.005","12.57","0.007","90","","90","","90","","838.1","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","\1","(2Z)-3-carboxy-1-hydroxy-2-pyridinium-1-ylprop-2-1-olate","","- C9 H7 N O4 -","- C9 H7 N O4 -","- C36 H28 N4 O16 -","4","1","","Loots, Leigh; Haynes, Delia A.; Roex, Tanya le","Synthesis and solid-state supramolecular chemistry of a series of pyridinium-derived zwitterions","New Journal of Chemistry","2014","38","7","2778","","10.1039/c4nj00281d","","","0.71073","MoKα","","0.0371","0.0347","","","0.0841","0.0855","","","","","","1.056","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054176","10.747","0.0002","13.1706","0.0002","18.122","0.0004","90","","90","","90","","2565.07","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-[tris(5-tertbutylpyrazole)sulfatocobalt(II)]","","- C21 H36 Co N6 O4 S -","- C21 H36 Co N6 O4 S -","- C84 H144 Co4 N24 O16 S4 -","4","1","","Jones, Leigh F.; Kilner, Colin A.; Halcrow, Malcolm A.","A comparison of different methods for fitting susceptibility data of cobalt(ii) coordination polymers in a new cobalt(ii)/sulfate 1-D chain","New Journal of Chemistry","2007","31","8","1530","","10.1039/b700987a","","","0.71073","MoKα","","0.0363","0.0314","","","0.0743","0.077","","","","","","1.028","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054195","6.951","0.004","17.701","0.009","24.901","0.013","90","","90","","90","","3064","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Ag N8 O7 -","- C32 H29 Ag N8 O7 -","- C128 H116 Ag4 N32 O28 -","4","1","","Wu, Huilu; Zhang, Yanhui; Chen, Chengyong; Zhang, Jiawen; Bai, Yuchen; Shi, Furong; Wang, Xiaoli","DNA-binding studies and antioxidant activities of two-, three- and four-coordinate silver(i) complexes containing bis(2-benzimidazolyl)aniline derivatives","New Journal of Chemistry","2014","38","8","3688","","10.1039/C4NJ00503A","","","0.71073","MoKα","","0.0401","0.033","","","0.0721","0.0756","","","","","","1.053","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054233","13.6795","0.0005","14.0922","0.0006","15.6687","0.0007","90","","90","","90","","3020.5","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N7 O4 S3 Y -","- C25 H28 N7 O4 S3 Y -","- C100 H112 N28 O16 S12 Y4 -","4","1","","Petrosyants, Svetlana; Dobrokhotova, Zhanna; Ilyukhin, Andrey; Novotortsev, Vladimir","Supramolecular aggregation of yttrium thiocyanate with 4,4′-bipyridine","New Journal of Chemistry","2014","38","8","3803","","10.1039/C4NJ00598H","","","0.71073","MoKα","","0.0937","0.0465","","","0.0756","0.0897","","","","","","0.955","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054244","6.07446","0.00013","8.98778","0.00019","24.241","0.0006","90","","90","","90","","1323.46","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2,3,3,3-Tetrafluoro-N-methyl-N-((R)-1-phenylethyl)propanamide","","- C12 H13 F4 N O -","- C12 H13 F4 N O -","- C48 H52 F16 N4 O4 -","4","1","","Bilska-Markowska, Monika; Rapp, Magdalena; Siodła, Tomasz; Katrusiak, Andrzej; Hoffmann, Marcin; Koroniak, Henryk","Tri- and tetrafluoropropionamides derived from chiral secondary amines ‒ synthesis and the conformational studies","New Journal of Chemistry","2014","38","8","3819","","10.1039/C4NJ00317A","","","1.54184","CuKα","","0.047","0.0441","","","0.1384","0.1423","","","","","","1.106","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054253","5.1335","0.0003","9.1624","0.0005","24.825","0.0015","90","","90","","90","","1167.65","0.12","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H F11 N2 -","- C10 H F11 N2 -","- C40 H4 F44 N8 -","4","1","","Muñoz, Bianca K.; Ojo, Wilfried-Solo; Jacob, Kane; Romero, Nuria; Vendier, Laure; Despagnet-Ayoub, Emmanuelle; Etienne, Michel","Perfluorinated 1H-indazoles and hydrotris(indazol-1-yl)borates. Supramolecular organization and a new synthetic procedure to form scorpionate ligands","New Journal of Chemistry","2014","38","6","2451","","10.1039/c4nj00136b","","","0.71073","MoKα","","0.0478","0.0362","","","0.0907","0.0978","","","","","","1.099","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054264","8.4302","0.0005","23.8152","0.0015","36.666","0.002","90","","90","","90","","7361.3","0.8","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H6 F6 N2 S -","- C11 H6 F6 N2 S -","- C264 H144 F144 N48 S24 -","24","6","","Palmer, Joshua H.; Parkin, Gerard","Synthesis and Structural Characterization of 1-Arylimidazole-2-thiones and N,N'-Aryldiethoxyethylthioureas with Electronically Diverse Substituents: A Manifold of Hydrogen Bonding Networks.","New journal of chemistry = Nouveau journal de chimie","2014","38","9","4071","4082","10.1039/C4NJ00521J","","","0.71073","MoKα","","0.0381","0.0358","","","0.087","0.0882","","","","","","1.082","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054292","8.6058","0.0017","13.283","0.003","14.427","0.003","90","","90","","90","","1649.2","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Ag Cl N6 O4 S2 -","- C12 H8 Ag Cl N6 O4 S2 -","- C48 H32 Ag4 Cl4 N24 O16 S8 -","4","1","","Wang, Han; Yang, Jin; Mak, Thomas C. W.","Supramolecular silver(i) coordination isomers of different dimensionalities assembled using a conformationally flexible multidentate oligo-α-sulfanylpyrazinyl ligand","New J. Chem.","2014","38","10","4690","","10.1039/C4NJ00836G","","","0.71073","MoKα","","0.0241","0.0226","","","0.0631","0.0653","","","","","","1.01","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054293","7.4609","0.0005","13.3836","0.001","16.1104","0.0012","90","","90","","90","","1608.7","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Ag Cl N6 O4 S2 -","- C12 H8 Ag Cl N6 O4 S2 -","- C48 H32 Ag4 Cl4 N24 O16 S8 -","4","1","","Wang, Han; Yang, Jin; Mak, Thomas C. W.","Supramolecular silver(i) coordination isomers of different dimensionalities assembled using a conformationally flexible multidentate oligo-α-sulfanylpyrazinyl ligand","New J. Chem.","2014","38","10","4690","","10.1039/C4NJ00836G","","","0.71073","MoKα","","0.0548","0.0461","","","0.1104","0.1163","","","","","","0.991","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054316","11.763","0.002","12.496","0.003","23.866","0.005","90","","90","","90","","3508.1","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 Br3 Cl N9 Ni2 O7 -","- C27 H33 Br3 Cl N9 Ni2 O7 -","- C108 H132 Br12 Cl4 N36 Ni8 O28 -","4","1","","An, Guang-Yu; Wang, Hong-Bo; Cui, Ai-Li; Kou, Hui-Zhong","Ferromagnetic versus antiferromagnetic exchange in oximato-bridged nickel(ii) complexes","New J. Chem.","2014","38","10","5037","","10.1039/C4NJ01055H","","","0.71073","MoKα","","0.0626","0.0372","","","0.0827","0.1109","","","","","","1.074","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054380","10.253","0.002","10.435","0.003","20.21","0.005","90","","90","","90","","2162.3","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Br2 Fe N5 O3 -","- C20 H14 Br2 Fe N5 O3 -","- C80 H56 Br8 Fe4 N20 O12 -","4","1","","Zhang, Daopeng; Zhuo, Shuping; Wang, Ping; Chen, Xia; Jiang, Jianzhuang","A new series of cyanide-bridged heterobimetallic FeIII‒FeIII/MnIII/CuIIone-dimensional complexes: synthesis, crystal structures, and magnetic properties","New J. Chem.","2014","38","11","5470","","10.1039/C4NJ00743C","","","0.71073","MoKα","","0.1106","0.0703","","","0.162","0.1847","","","","","","1.06","","","","has coordinates","180097","2020-10-21","18:00:00",""
"7054426","8.5565","0.0003","11.6085","0.0003","37.5518","0.001","90","","90","","90","","3729.95","0.19","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N3 S4 -","- C17 H17 N3 S4 -","- C136 H136 N24 S32 -","8","2","","Le Gal, Yann; Vacher, Antoine; Dorcet, Vincent; Fourmigué, Marc; Crassous, Jeanne; Lorcy, Dominique","The near infra red (NIR) chiroptical properties of nickel dithiolene complexes","New J. Chem.","2015","39","1","122","","10.1039/C4NJ01244E","","x-ray","0.71073","MoKα","","0.042","0.0365","","","0.0756","0.078","","","","","","1.026","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7054477","6.985","0.0005","8.4845","0.0005","13.8574","0.0009","90","","90","","90","","821.25","0.09","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3,4-Dichloroximidoyl-furoxane","3,4-Dichloroximidoyl-furoxane","","- C4 H2 Cl2 N4 O4 -","- C4 H2 Cl2 N4 O4 -","- C16 H8 Cl8 N16 O16 -","4","1","","Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.","Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles","New J. Chem.","2015","39","3","1619","","10.1039/C4NJ01351D","","","0.71073","MoKα","","0.0294","0.027","","","0.0599","0.0616","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7054503","7.5011","0.0006","13.0676","0.001","24.704","0.003","90","","90","","90","","2421.5","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(isothiocyanato)-(N,N'-bis((2-oxido-1-naphthyl)methylene)-1,6-diamino-4-azahexane)-iron(iii)","","- C28 H25 Fe N4 O2 S -","- C28 H25 Fe N4 O2 S -","- C112 H100 Fe4 N16 O8 S4 -","4","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.079","0.0498","","","0.0857","0.0919","","","","","","0.935","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054504","7.5422","0.0003","13.5725","0.0005","24.6626","0.0009","90","","90","","90","","2524.62","0.16","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(isothiocyanato)-(N,N'-bis((2-oxido-1-naphthyl)methylene)-1,6-diamino-4-azahexane)-iron(iii)","","- C28 H25 Fe N4 O2 S -","- C28 H25 Fe N4 O2 S -","- C112 H100 Fe4 N16 O8 S4 -","4","1","","Masárová, Petra; Zoufalý, Pavel; Moncol, Ján; Nemec, Ivan; Pavlik, Ján; Gembický, Milan; Trávníček, Zdeněk; Boča, Roman; Šalitroš, Ivan","Spin crossover and high spin electroneutral mononuclear iron(iii) Schiff base complexes involving terminal pseudohalido ligands","New J. Chem.","2015","39","1","508","","10.1039/C4NJ01363H","","","0.71073","MoKα","","0.0498","0.033","","","0.0578","0.0606","","","","","","0.897","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054548","7.32285","0.00013","13.0124","0.0002","26.9145","0.0005","90","","90","","90","","2564.62","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N3-{[(o-carboran-1-yl)propyl]-1N-1,2,3-triazol-4-yl}methylenethymidine","","- C18 H33 B10 N5 O5 -","- C18 H33 B10 N5 O5 -","- C72 H132 B40 N20 O20 -","4","1","","Matuszewski, Michał; Kiliszek, Agnieszka; Rypniewski, Wojciech; Lesnikowski, Zbigniew J.; Olejniczak, Agnieszka B.","Nucleoside bearing boron clusters and their phosphoramidites ‒ building blocks for modified oligonucleotide synthesis","New J. Chem.","2015","39","2","1202","","10.1039/C4NJ01096E","","","1.54184","CuKα","","0.039","0.0351","","","0.0933","0.0946","","","","","","1.048","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7054573","5.35","0.0009","20.2","0.003","29.927","0.004","90","","90","","90","","3234.2","0.8","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 F4 N4 O7 -","- C32 H40 F4 N4 O7 -","- C128 H160 F16 N16 O28 -","4","1","","Hassoun, Ammar; Grison, Claire M.; Guillot, Régis; Boddaert, Thomas; Aitken, David J.","Conformational preferences in the β-peptide oligomers of cis-2-amino-1-fluorocyclobutane-1-carboxylic acid","New J. Chem.","2015","39","5","3270","","10.1039/C4NJ01929F","","x-ray","0.71069","MoKα","","0.1212","0.0682","","","0.1483","0.1709","","","","","","1.031","","","","has coordinates","180099","2020-10-21","18:00:00",""
"7054624","9.2829","0.0008","17.955","0.002","23.143","0.003","90","","90","","90","","3857.3","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 N5 O8 -","- C29 H45 N5 O8 -","- C116 H180 N20 O32 -","4","1","","Kwon, Sunmi; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","cis-2-Aminocyclohex-4-enecarboxylic acid as a new building block of helical foldamers","New J. Chem.","2015","39","5","3221","","10.1039/C4NJ02056A","","","0.71073","MoKα","","0.0588","0.0494","","","0.1212","0.1258","","","","","","1.065","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054643","8.8736","0.0002","13.6929","0.0003","21.0647","0.0006","90","","90","","90","","2559.47","0.11","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl4 Co N4 -","- C22 H34 Cl4 Co N4 -","- C88 H136 Cl16 Co4 N16 -","4","1","","Khandar, Ali Akbar; Kirschbaum, Kristin; Abedi, Marjan; Mock, Kristi; Tracy, Greg; Spasojevic, Vojislav; Hosseini-Yazdi, Seyed Abolfazl","Synthesis, characterization and crystal structures of mono and dinuclear macrocyclic cobalt(ii) complexes with a new tetraaza m-xylyl-based macrocyclic ligand","New J. Chem.","2015","39","4","2822","","10.1039/C4NJ01608D","","","0.71073","MoKα","","0.085","0.0589","","","0.1233","0.1336","","","","","","1.025","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054662","5.2989","0.0005","15.3102","0.0012","19.3432","0.0017","90","","90","","90","","1569.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O7 Zn -","- C15 H13 N O7 Zn -","- C60 H52 N4 O28 Zn4 -","4","1","","Karmakar, Anirban; Guedes da Silva, M. Fátima C.; Hazra, Susanta; Pombeiro, Armando J. L.","Zinc amidoisophthalate complexes and their catalytic application in the diastereoselective Henry reaction","New J. Chem.","2015","39","4","3004","","10.1039/C4NJ02371D","","","0.71073","MoKα","","0.0343","0.0337","","","0.0883","0.0893","","","","","","1.063","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054699","9.6656","0.0004","14.9615","0.0004","17.9211","0.0005","90","0.005","90","0.005","90","0.005","2591.6","0.15","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Cd N8 Ni O6 -","- C16 H36 Cd N8 Ni O6 -","- C64 H144 Cd4 N32 Ni4 O24 -","4","1","","Şenocak, Ayşegül; Karadağ, Ahmet; Soylu, Mustafa Serkan; Andaç, Ömer","Two novel cyanido-bridged polymeric complexes with suspension bridge type connections and a series of related complex salts: crystallographic and thermal characterizations","New J. Chem.","2015","39","5","3675","","10.1039/C5NJ00071H","","x-ray","0.71073","MoKα","","0.0342","0.0291","","","0.0616","0.0644","","","","","","1.07","","","","has coordinates","180100","2020-10-21","18:00:00",""
"7054779","9.0224","0.0008","11.6701","0.001","30.389","0.003","90","","90","","90","","3199.7","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 N3 O2 S -","- C37 H39 N3 O2 S -","- C148 H156 N12 O8 S4 -","4","1","","Yang, Meipan; Meng, Wenfei; Ding, Qingli; Su, Na; Liu, Xiaojing; Zhang, Ming; Yang, Bingqin","Novel fluorescent probes based on rhodamine for naked-eye detection of Fe3+and their application of imaging in living cells","New J. Chem.","2015","39","6","4790","","10.1039/C5NJ00226E","","","0.71073","MoKα","","0.0722","0.058","","","0.118","0.1245","","","","","","1.063","","","","has coordinates,has disorder","180101","2020-10-21","18:00:00",""
"7054791","6.5112","0.0016","8.2566","0.0017","19.598","0.005","90","","90","","90","","1053.6","0.4","289","2","289","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","C-catena(bis((μ2-chloro)-chloro-(2-(2-methylaminoethyl)pyridine)-copper(II)))","","- C8 H12 Cl2 Cu N2 -","- C8 H12 Cl2 Cu N2 -","- C32 H48 Cl8 Cu4 N8 -","4","1","","Lennartson, Anders; Håkansson, Mikael","Absolute asymmetric synthesis of five-coordinate complexes","New J. Chem.","2015","39","8","5936","","10.1039/C5NJ00254K","","x-ray","0.71073","MoKα","","0.0253","0.024","","","0.0518","0.052","","","","","","0.994","","","","has coordinates","153248","2020-10-21","18:00:00",""
"7054792","5.7841","0.0014","13.342","0.002","16.26","0.003","90","","90","","90","","1254.8","0.4","289","2","289","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","A-catena(aqua-dichloro-caffein-copper(II))","","- C8 H12 Cl2 Cu N4 O3 -","- C8 H10 Cl2 Cu N4 O3 -","- C32 H40 Cl8 Cu4 N16 O12 -","4","1","","Lennartson, Anders; Håkansson, Mikael","Absolute asymmetric synthesis of five-coordinate complexes","New J. Chem.","2015","39","8","5936","","10.1039/C5NJ00254K","","x-ray","0.71073","MoKα","","0.0286","0.0276","","","0.0715","0.0719","","","","","","1.069","","","","has coordinates","153248","2020-10-21","18:00:00",""
"7054843","5.6074","0.0006","14.7841","0.0016","20.027","0.002","90","","90","","90","","1660.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br O2 S -","- C18 H17 Br O2 S -","- C72 H68 Br4 O8 S4 -","4","1","","Ren, Qiao; Gao, Tao; Li, Wenjun; Wan, Li; Hu, Yimin; Peng, Yanhong; Sun, Shaofa; Hu, Liqiang; Wu, Minghu; Guo, Haibing; Wang, Jian","A highly enantioselective Michael reaction between α,β-unsaturated ketones and malonic acid half-thioesters","New J. Chem.","2015","39","7","5100","","10.1039/C5NJ00719D","","","0.71073","MoKα","","0.032","0.029","","","0.0599","0.0608","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7054854","11.0319","0.0004","16.0851","0.0011","20.1692","0.0007","90","","90","","90","","3579","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 I La O Si4 -","- C26 H50 I La O Si4 -","- C104 H200 I4 La4 O4 Si16 -","4","1","","Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.","A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes","New J. Chem.","2015","39","10","7633","","10.1039/C5NJ00761E","","","0.71073","MoKα","","0.0527","0.0453","","","0.081","0.0846","","","","","","1.097","","","","has coordinates,has disorder","162066","2020-10-21","18:00:00",""
"7054959","7.4044","0.0004","13.0468","0.0006","21.5066","0.0011","90","","90","","90","","2077.62","0.18","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methylgallium betadiketonate","","- C23 H25 Ga N2 O2 -","- C23 H25 Ga N2 O2 -","- C92 H100 Ga4 N8 O8 -","4","1","","Knapp, Caroline E.; Marchand, Peter; Dyer, Caragh; Parkin, Ivan P.; Carmalt, Claire J.","Synthesis and characterisation of novel aluminium and gallium precursors for chemical vapour deposition","New J. Chem.","2015","39","8","6585","","10.1039/C5NJ00947B","","","0.71073","MoKα","","0.0364","0.0327","","","0.0695","0.0713","","","","","","1.012","","","","has coordinates","153255","2020-10-21","18:00:00",""
"7055049","13.541","0.002","19.611","0.003","20.563","0.003","90","","90","","90","","5460.6","1.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H84 Fe2 K N4 Si4 Yb -","- C51 H84 Fe2 K N4 Si4 Yb -","- C204 H336 Fe8 K4 N16 Si16 Yb4 -","4","1","","Huang, Wenliang; Brosmer, Jonathan L.; Diaconescu, Paula L.","In situ synthesis of lanthanide complexes supported by a ferrocene diamide ligand: extension to redox-active lanthanide ions","New J. Chem.","2015","39","10","7696","","10.1039/C5NJ01402F","","","0.71073","MoKα","","0.0339","0.0298","","","0.0744","0.0761","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7055107","9.735","0.003","11.144","0.003","12.745","0.004","90","","90","","90","","1382.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Indozolidinoindolones","(5S,11bR)-5-(hydroxymethyl)-11b-methyl-5,6,11,11b-tetrahydro-1H-indolizino[8,7-b]indol-3(2H)-one","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Bathula, Chandramohan; Dangi, Poonam; Hati, Santanu; Agarwal, Rahul; Munshi, Parthapratim; Singh, Ashutosh; Singh, Shailja; Sen, Subhabrata","Diverse synthesis of natural product inspired fused and spiro-heterocyclic scaffolds via ring distortion and ring construction strategies","New J. Chem.","2015","39","12","9281","","10.1039/C5NJ01858G","","","0.71073","MoKα","","0.0458","0.0352","","","0.0804","0.0862","","","","","","1.065","","","","has coordinates","171298","2020-10-21","18:00:00",""
"7055108","9.821","0.008","11.174","0.008","12.954","0.01","90","","90","","90","","1421.6","1.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","indozolidinoindolones","(5R,11bS)-5-(hydroxymethyl)-11b-methyl-5,6,11,11b-tetrahydro-1H-indolizino[8,7-b]indol-3(2H)-one","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","1","","Bathula, Chandramohan; Dangi, Poonam; Hati, Santanu; Agarwal, Rahul; Munshi, Parthapratim; Singh, Ashutosh; Singh, Shailja; Sen, Subhabrata","Diverse synthesis of natural product inspired fused and spiro-heterocyclic scaffolds via ring distortion and ring construction strategies","New J. Chem.","2015","39","12","9281","","10.1039/C5NJ01858G","","","0.71073","MoKα","","0.0598","0.0423","","","0.0925","0.1024","","","","","","1.055","","","","has coordinates","171298","2020-10-21","18:00:00",""
"7055302","11.2437","0.0005","15.033","0.0008","23.3412","0.0011","90","","90","","90","","3945.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H39 N3 Pt -","- C49 H39 N3 Pt -","- C196 H156 N12 Pt4 -","4","1","","Zhang, Xiao-Peng; Liu, Fu-Qiang; Lai, Jian-Cheng; Li, Cheng-Hui; Li, Ai-Min; You, Xiao-Zeng","Novel redox responsive chiral cyclometalated platinum(ii) complexes with pinene functionalized C^N^N ligands","New J. Chem.","2016","40","3","2628","","10.1039/C5NJ02932E","","","0.71073","MoKα","","0.0283","0.0252","","","0.0624","0.0635","","","","","","1.042","","","","has coordinates,has disorder","181754","2020-10-21","18:00:00",""
"7055303","14.7779","0.0006","14.8743","0.0006","16.8574","0.0007","90","","90","","90","","3705.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H36 N2 Pt -","- C47 H36 N2 Pt -","- C188 H144 N8 Pt4 -","4","1","","Zhang, Xiao-Peng; Liu, Fu-Qiang; Lai, Jian-Cheng; Li, Cheng-Hui; Li, Ai-Min; You, Xiao-Zeng","Novel redox responsive chiral cyclometalated platinum(ii) complexes with pinene functionalized C^N^N ligands","New J. Chem.","2016","40","3","2628","","10.1039/C5NJ02932E","","","0.71073","MoKα","","0.0312","0.0269","","","0.0666","0.0682","","","","","","1.006","","","","has coordinates","181754","2020-10-21","18:00:00",""
"7055308","11.616","0.004","11.825","0.004","36.389","0.011","90","","90","","90","","4998","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H42 N10 O8 Zn2 -","- C54 H42 N10 O8 Zn2 -","- C216 H168 N40 O32 Zn8 -","4","1","","Cheng, Hong-Jian; Shen, Ya-Li; Lu, Yi-Feng; Ma, Ji; Ji, Hong-Wei; Yin, Wen-Yu; Tang, Xiao-Yan; Ma, Yun-Sheng; Yuan, Rong-Xin","Alkyl group-directed assembly of coordination polymers based on bis-(4-imidazol-1-yl-phenyl)-amine and their photocatalytic properties","New J. Chem.","2016","40","3","2479","","10.1039/C5NJ02760H","","","0.71073","MoKα","","0.0674","0.0562","","","0.1393","0.1508","","","","","","1.073","","","","has coordinates","181763","2020-10-21","18:00:00",""
"7055314","10.0792","0.0002","15.6628","0.0003","26.4166","0.0005","90","","90","","90","","4170.35","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C79 H18 P -","- C79 H18 P -","- C316 H72 P4 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Kuz`min, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Effective magnetic coupling with strong spin frustration in (Ph3MeP+)(C60•) and reversible C60• dimerization in (Ph3MeP+)(C60•)C6H5CN . Effect of solvent on structure and properties","New J. Chem.","2016","","","","","10.1039/C5NJ02886H","","","0.71073","MoKα","","0.074","0.0571","","","0.1262","0.1423","","","","","","1.136","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7055335","9.9995","0.0002","10.0313","0.0002","16.1233","0.0004","90","","90","","90","","1617.3","0.06","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 B F4 N5 S -","- C14 H14 B F4 N5 S -","- C56 H56 B4 F16 N20 S4 -","4","1","","Kleisath, Elizabeth; Yutronkie, Nathan J.; Korobkov, Ilia; Gabidullin, Bulat M.; Brusso, Jaclyn L.","Alkyl-functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine","New J. Chem.","2016","40","5","4472","","10.1039/C5NJ02611C","","","0.71073","MoKα","","0.0445","0.0424","","","0.1191","0.1211","","","","","","1.046","","","","has coordinates","183742","2020-10-21","18:00:00",""
"7055337","5.799","0.003","14.641","0.009","16.056","0.01","90","","90","","90","","1363.2","1.4","258","2","258","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N5 S -","- C14 H13 N5 S -","- C56 H52 N20 S4 -","4","1","","Kleisath, Elizabeth; Yutronkie, Nathan J.; Korobkov, Ilia; Gabidullin, Bulat M.; Brusso, Jaclyn L.","Alkyl-functionalization of 3,5-bis(2-pyridyl)-1,2,4,6-thiatriazine","New J. Chem.","2016","40","5","4472","","10.1039/C5NJ02611C","","","0.71073","MoKα","","0.0608","0.0419","","","0.0933","0.0997","","","","","","1.066","","","","has coordinates","183742","2020-10-21","18:00:00",""
"7055351","8.318","0.0003","14.3938","0.0005","18.1616","0.0006","90","","90","","90","","2174.45","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","","Yuan, Minghui; Tanabe, Iori; Bernard-Schaaf, Jean-Marie; Shi, Qin-Yin; Schlegel, Vicki; Schurhammer, Rachel; Dowben, Peter A.; Doudin, Bernard; Routaboul, Lucie; Braunstein, Pierre","Influence of steric hindrance on the molecular packing and the anchoring of quinonoid zwitterions on gold surfaces","New J. Chem.","2016","40","7","5782","","10.1039/C5NJ03251B","","","1.54178","CuKα","","0.0923","0.0899","","","0.2579","0.2608","","","","","","1.072","","","","has coordinates,has disorder","185583","2020-10-21","18:00:00",""
"7055354","8.2966","0.0004","23.4782","0.0012","25.175","0.0011","90","","90","","90","","4903.8","0.4","100","0.5","100","0.5","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 B Cl2 F2 I2 N2 -","- C24 H23 B Cl2 F2 I2 N2 -","- C192 H184 B8 Cl16 F16 I16 N16 -","8","2","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.0548","0.0527","","","0.1231","0.124","","","","","","1.221","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055355","11.0477","0.0015","14.069","0.002","17.029","0.003","90","","90","","90","","2646.8","0.7","100","0.5","100","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 B F2 N2 -","- C35 H31 B F2 N2 -","- C140 H124 B4 F8 N8 -","4","1","","Meng, Qianli; Fronczek, Frank R.; Vicente, M Graça H","Synthesis and spectroscopic properties of β,β'-dibenzo-3,5,8-triaryl-BODIPYs.","New journal of chemistry = Nouveau journal de chimie","2016","40","7","5740","5751","10.1039/C5NJ03324A","","","0.71073","MoKα","","0.04","0.0327","","","0.0738","0.0771","","","","","","1.029","","","","has coordinates","187158","2020-10-21","18:00:00",""
"7055449","9.0052","0.0003","14.4455","0.0004","23.8253","0.0007","90","","90","","90","","3099.31","0.16","115","2","115","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 Cu N8 O7 -","- C29 H40 Cu N8 O7 -","- C116 H160 Cu4 N32 O28 -","4","1","","Sok, Nicolas; Baglin, Isabelle; Rousselin, Yoann; Boschetti, Frederic; Bernhard, Claire; Goze, Christine; Denat, Franck","Reinforced cyclam derivatives functionalized on the bridging unit","New J. Chem.","2016","40","7","5829","","10.1039/C5NJ03488D","","x-ray","0.71073","MoKα","","0.1114","0.0778","","","0.1406","0.1621","","","","","","1.224","","","","has coordinates,has disorder","185594","2020-10-21","18:00:00",""
"7055471","12.1337","0.0007","13.0987","0.0008","25.2928","0.0015","90","","90","","90","","4019.9","0.4","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H36 Cu F3 N4 P2 -","- C45 H36 Cu F3 N4 P2 -","- C180 H144 Cu4 F12 N16 P8 -","4","1","","Chen, Jing-Lin; Guo, Zong-Hao; Luo, Yan-Sheng; Qiu, Lu; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent monometallic Cu(i) triphenylphosphine complexes based on methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands","New J. Chem.","2016","40","6","5325","","10.1039/C5NJ03529E","","","0.71073","MoKα","","0.0658","0.0477","","","0.1077","0.1162","","","","","","1.021","","","","has coordinates","183721","2020-10-21","18:00:00",""
"7055473","12.1405","0.0009","12.9183","0.001","25.384","0.002","90","","90","","90","","3981.1","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H36 Cu F3 N4 P2 -","- C45 H36 Cu F3 N4 P2 -","- C180 H144 Cu4 F12 N16 P8 -","4","1","","Chen, Jing-Lin; Guo, Zong-Hao; Luo, Yan-Sheng; Qiu, Lu; He, Li-Hua; Liu, Sui-Jun; Wen, He-Rui; Wang, Jin-Yun","Luminescent monometallic Cu(i) triphenylphosphine complexes based on methylated 5-trifluoromethyl-3-(2′-pyridyl)-1,2,4-triazole ligands","New J. Chem.","2016","40","6","5325","","10.1039/C5NJ03529E","","","0.71073","MoKα","","0.0663","0.0574","","","0.1137","0.1176","","","","","","1.183","","","","has coordinates","183721","2020-10-21","18:00:00",""
"7055532","8.3421","0.0006","13.3327","0.001","16.7969","0.0012","90","","90","","90","","1868.2","0.2","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 S Si -","- C17 H25 N O5 S Si -","- C68 H100 N4 O20 S4 Si4 -","4","1","","Singh, Gurjaspreet; Rani, Sunita; Arora, Aanchal; Aulakh, Darpandeep; Wriedt, Mario","Thioester-appended organosilatranes: synthetic investigations and application in the modification of magnetic silica surfaces","New J. Chem.","2016","40","7","6200","","10.1039/C6NJ00011H","","","0.71073","MoKα","","0.0405","0.0373","","","0.0975","0.1007","","","","","","1.039","","","","has coordinates,has disorder","185588","2020-10-21","18:00:00",""
"7055550","10.669","0.002","11.771","0.002","14.278","0.003","90","","90","","90","","1793.1","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Zhang, Ruimin; Wang, Mingliang; Sun, Hao; Khan, Arshad; Usman, Rabia; Wang, Shengzhi; Gu, Xiantao; Wang, Jia; Xu, Chunxiang","Effect of configurational isomerism and polymorphism on chalcone fluorescent properties","New J. Chem.","2016","40","7","6441","","10.1039/C6NJ00976J","","","0.71073","MoKα","","0.1189","0.058","","","0.1496","0.1862","","","","","","1.002","","","","has coordinates","185584","2020-10-21","18:00:00",""
"7055638","14.859","0.003","16.766","0.004","16.883","0.004","90","","90","","90","","4206","1.6","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H57 Br2 N3 Ni O5 -","- C37 H57 Br2 N3 Ni O5 -","- C148 H228 Br8 N12 Ni4 O20 -","4","1","","Zhang, Jie; Liu, Shaofeng; Li, Antai; Ye, Hongqi; Li, Zhibo","Nickel(ii) complexes chelated by 2,6-pyridinedicarboxamide: syntheses, characterization, and ethylene oligomerization","New J. Chem.","2016","40","8","7027","","10.1039/C6NJ00559D","","","0.71073","MoKα","","0.0551","0.0483","","","0.0909","0.0954","","","","","","1.118","","","","has coordinates,has disorder","185611","2020-10-21","18:00:00",""
"7055685","12.615","0.00014","15.8462","0.0002","22.5039","0.0003","90","","90","","90","","4498.53","0.1","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 Mo3 N O9 P3 S10 -","- C26 H44 Mo3 N O9 P3 S10 -","- C104 H176 Mo12 N4 O36 P12 S40 -","4","1","","Gushchin, Artem L.; Hernandez-Molina, Rita; Anyushin, Alexander V.; Gallyamov, Marsel R.; Gonzalez-Platas, Javier; Moroz, Nikolay K.; Sokolov, Maxim N.","Synthesis, structure and NMR studies of trinuclear Mo3S4clusters coordinated with dithiophosphate and chiral carboxylate ligands","New J. Chem.","2016","40","9","7612","","10.1039/C6NJ01303A","","x-ray","1.54184","CuKα","","0.0298","0.0273","","","0.0651","0.0667","","","","","","1.023","","","","has coordinates","186455","2020-10-21","18:00:00",""
"7055704","13.0031","0.0008","17.628","0.001","28.16","0.002","90","","90","","90","","6454.8","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","99290","","","- C45 H105 Ca I2 O5 P5 -","- C45 H105 Ca I2 O5 P5 -","- C180 H420 Ca4 I8 O20 P20 -","4","1","","Fitts, Lacey S.; Bierschenk, Eric J.; Hanusa, Timothy P.; Rheingold, Arnold L.; Pink, Maren; Young, Victor G.","Selective modification of the metal coordination environment in heavy alkaline‒earth iodide complexes","New J. Chem.","2016","40","10","8229","","10.1039/C6NJ01713D","","","0.71073","MoKα","","0.0823","0.0447","","","0.101","0.1148","","","","","","0.925","","","","has coordinates","187172","2020-10-21","18:00:00",""
"7055708","7.788","0.0005","8.7135","0.0006","24.6516","0.0018","90","","90","","90","","1672.9","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 Cd N3 O10 -","- C11 H19 Cd N3 O10 -","- C44 H76 Cd4 N12 O40 -","4","1","","Shang, Di; Ni, Jue chen; Gao, Xin Yu; Li, Cheng Ren; Lin, Xiao Meng; Wang, Zhi Nan; Du, Ning; Li, Shuang; Xing, Yong Heng","The various structures of complexes fabricated with transition metal and triazole ligands and inhibiting effect on luminescent xanthine","New J. Chem.","2016","","","","","10.1039/C6NJ01503D","","","0.71073","MoKα","","0.0473","0.0333","","","0.0588","0.0627","","","","","","1.044","","","","has coordinates","184813","2020-10-21","18:00:00",""
"7055724","10.18","0.003","15.365","0.004","22.009","0.006","90","","90","","90","","3442.6","1.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Cl5 N2 O W -","- C3 H8 Cl5 N2 O W -","- C36 H96 Cl60 N24 O12 W12 -","12","3","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The chemistry of high valent tungsten chlorides with N-substituted ureas, including urea self-protonation reactions triggered by WCl6","New J. Chem.","2016","40","10","8271","","10.1039/C6NJ01822J","","","0.71073","MoKα","","0.0712","0.0458","","","0.0898","0.0997","","","","","","1.018","","","","has coordinates","187171","2020-10-21","18:00:00",""
"7055743","4.791","0.001","16.125","0.004","20.85","0.005","90","","90","","90","","1610.8","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","1","","Darabi, Farivash; Hadadzadeh, Hassan; Simpson, Jim; Shahpiri, Azar","A water-soluble Pd(ii) complex with a terpyridine ligand: experimental and molecular modeling studies of the interaction with DNA and BSA; and in vitro cytotoxicity investigations against five human cancer cell lines","New J. Chem.","2016","40","11","9081","","10.1039/C6NJ01880G","","","0.71073","MoKα","","0.2174","0.0329","","","0.0278","0.0458","","","","","","0.827","","","","has coordinates","188262","2020-10-21","18:00:00",""
"7055758","8.8665","0.0003","12.6487","0.0005","21.9234","0.0009","90","","90","","90","","2458.7","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N3 O6 S -","- C24 H29 N3 O6 S -","- C96 H116 N12 O24 S4 -","4","1","","Ingole, Tukaram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","3-Aminothiophenecarboxylic acid (3-Atc)-induced folding in peptides","New J. Chem.","2016","40","11","9205","","10.1039/C6NJ01667G","","","0.71073","MoKα","","0.033","0.0315","","","0.0793","0.0801","","","","","","1.067","","","","has coordinates","188268","2020-10-21","18:00:00",""
"7055790","9.7498","0.0005","10.711","0.0004","12.7361","0.0006","90","","90","","90","","1330.03","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N3 O2 -","- C5 H7 N3 O2 -","- C40 H56 N24 O16 -","8","2","","Dîrtu, Marinela M.; Adarsh, N. N.; Naik, Anil D.; Robeyns, Koen; Garcia, Yann","Supramolecular homochiral helicity and zigzag hydrogen bonded chains in 1,2,4-triazole derived aminoester and aminoacid","New J. Chem.","2016","40","11","9025","","10.1039/C6NJ01687A","","","0.71073","MoKα","","0.0529","0.0438","","","0.0981","0.1038","","","","","","1.089","","","","has coordinates,has disorder","188257","2020-10-21","18:00:00",""
"7055795","6.4177","0.0002","12.5899","0.0005","16.6644","0.0007","90","","90","","90","","1346.45","0.09","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O S4 -","- C12 H9 N O S4 -","- C48 H36 N4 O4 S16 -","4","1","","Le Gal, Yann; Ameline, Dorine; Vacher, Antoine; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Chiral 1,2-dithiine as a sulfur rich electron acceptor","New J. Chem.","2016","40","12","9930","","10.1039/C6NJ02292H","","x-ray","0.71073","MoKα","","0.0226","0.0214","","","0.0521","0.0527","","","","","","1.061","","","","has coordinates","190228","2020-10-21","18:00:00",""
"7055796","6.3994","0.0014","12.57","0.003","16.622","0.004","90","","90","","90","","1337.1","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O S4 -","- C12 H9 N O S4 -","- C48 H36 N4 O4 S16 -","4","1","","Le Gal, Yann; Ameline, Dorine; Vacher, Antoine; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Chiral 1,2-dithiine as a sulfur rich electron acceptor","New J. Chem.","2016","40","12","9930","","10.1039/C6NJ02292H","","x-ray","0.71073","MoKα","","0.032","0.0302","","","0.0714","0.0726","","","","","","1.045","","","","has coordinates","190228","2020-10-21","18:00:00",""
"7055797","8.4457","0.0006","15.309","0.0012","23.682","0.002","90","","90","","90","","3062","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 S14 -","- C22 H18 N2 S14 -","- C88 H72 N8 S56 -","4","1","","Le Gal, Yann; Ameline, Dorine; Vacher, Antoine; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Chiral 1,2-dithiine as a sulfur rich electron acceptor","New J. Chem.","2016","40","12","9930","","10.1039/C6NJ02292H","","x-ray","0.71073","MoKα","","0.0581","0.0454","","","0.0892","0.0944","","","","","","1.077","","","","has coordinates","190228","2020-10-21","18:00:00",""
"7055798","8.4463","0.0002","15.31","0.0004","23.6692","0.0007","90","","90","","90","","3060.73","0.14","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 S14 -","- C22 H18 N2 S14 -","- C88 H72 N8 S56 -","4","1","","Le Gal, Yann; Ameline, Dorine; Vacher, Antoine; Roisnel, Thierry; Dorcet, Vincent; Lorcy, Dominique","Chiral 1,2-dithiine as a sulfur rich electron acceptor","New J. Chem.","2016","40","12","9930","","10.1039/C6NJ02292H","","x-ray","0.71073","MoKα","","0.0358","0.0302","","","0.0631","0.0651","","","","","","1.025","","","","has coordinates","190228","2020-10-21","18:00:00",""
"7055827","13.8584","0.0005","16.1145","0.0006","22.9607","0.0009","90","","90","","90","","5127.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 N5 O5 V -","- C25 H18 N5 O5 V -","- C200 H144 N40 O40 V8 -","8","2","","Shit, Madhusudan; Maity, Suvendu; Bera, Sachinath; Weyhermüller, Thomas; Ghosh, Prasanta","Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate, 4,4′-di-tert-butyl-2,2′-bipyridine and 1,10-phenanthroline anion radicals to oxidovanadium(iv)","New J. Chem.","2016","40","12","10305","","10.1039/C6NJ02220K","","","0.71073","MoKα","","0.0594","0.0403","","","0.0859","0.0954","","","","","","1.037","","","","has coordinates,has disorder","190237","2020-10-21","18:00:00",""
"7055832","12.478","0.002","14.351","0.002","21.722","0.003","90","","90","","90","","3889.8","1","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","Zr(L)(NMe2)2(NHMe2)","","- C42 H59 N5 Zr -","- C42 H59 N5 Zr -","- C168 H236 N20 Zr4 -","4","1","","Cimino, Alessandro; Moscatelli, Filippo; Ferretti, Francesco; Ragaini, Fabio; Germain, Stéphane; Hannedouche, Jérôme; Schulz, Emmanuelle; Luconi, Lapo; Rossin, Andrea; Giambastiani, Giuliano","Novel yttrium and zirconium catalysts featuring reduced Ar-BIANH2 ligands for olefin hydroamination (Ar-BIANH2 = bis-arylaminoacenaphthylene)","New J. Chem.","2016","40","12","10285","","10.1039/C6NJ02199A","","x-ray","1.5418","CuKα","","0.06","0.044","","","0.09","0.1191","","","","","","1.113","","","","has coordinates","190248","2020-10-21","18:00:00",""
"7055860","6.3722","0.0018","11.278","0.003","17.837","0.005","90","","90","","90","","1281.9","0.6","110.15","","110.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","imidazole derivative","imidozolyl thiozole","","- C16 H9 F N2 O S -","- C16 H9 F N2 O S -","- C64 H36 F4 N8 O4 S4 -","4","1","","Ambethkar, Sethurajan; Vellimalai, Muthalu; Padmini, Vediappen; Bhuvanesh, Nattamai","Iodine-mediated C‒N and C‒S bond formation: regioselective synthesis of benzo[4,5]imidazo[2,1-b]thiazoles","New J. Chem.","2017","41","1","75","","10.1039/C6NJ02102F","","","0.71073","MoKα","","0.042","0.0362","","","0.0737","0.077","","","","","","1.044","","","","has coordinates","191721","2020-10-21","18:00:00",""
"7056081","12.4948","0.0005","16.0972","0.0006","20.2765","0.0009","90","","90","","90","","4078.2","0.3","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C55 H31 Cl3 -","- C55 H31 Cl3 -","- C220 H124 Cl12 -","4","1","","Zhu, Chongwei; Duhayon, Carine; Romero-Borja, Daniel; Maldonado, Jose-Luis; Ramos-Ortiz, Gabriel; Saquet, Alix; Maraval, Valérie; Chauvin, Remi","Hexaaryl-carbo-benzenes revisited: novel synthetic route, crystallographic data, and prospects of electrochemical behavior","New J. Chem.","2017","","","","","10.1039/C7NJ00028F","","","0.71073","MoKα","","0.0461","0.039","","0.0501","0.0393","0.0369","","","","","","1.1134","","","","has coordinates","194632","2020-10-21","18:00:00",""
"7056117","7.2202","0.0002","10.6578","0.0003","20.9068","0.0005","90","","90","","90","","1608.81","0.07","297","2","297","2","","","","","","","(-)-Menthyl diazoacetate and acrylonitrile","4","P 21 21 21","P 2ac 2ab","19","","(5R)-5-cyano-3-carbmenthoxy-2-pyrazoline","","- C15 H23 N3 O2 -","- C15 H23 N3 O2 -","- C60 H92 N12 O8 -","4","1","","Chen, Cheng; Li, Yan; Jia, Xiangxiang; Li, Feifei; Chen, Fangjuan; Liu, Lijian","Wavelength-Focused Organic Molecule Materials with Diazoacetate or Fumarate as Monofluorophore","New J. Chem.","2017","","","","","10.1039/C6NJ03952A","","","1.54178","CuKα","","0.0335","0.0276","","","0.075","0.0753","","","","","","1.057","","","","has coordinates","195617","2020-10-21","18:00:00",""
"7056196","9.6149","0.0008","12.9348","0.0011","22.7853","0.0019","90","","90","","90","","2833.7","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 F O2 Se Sn -","- C11 H15 F O2 Se Sn -","- C88 H120 F8 O16 Se8 Sn8 -","8","2","","Qiu, Ya-Ru; Zhang, Ru-Fen; Zhang, Shaoliang; Cheng, Shuang; Li, Qianli; Ma, Chunlin","Novel organotin(IV) Complexes derived from 4-fluorophenyl- selenoacetic acid: synthesis, characterization and in vitro cytostatic activity evaluation","New J. Chem.","2017","","","","","10.1039/C7NJ00500H","","","0.71073","MoKα","","0.1378","0.0751","","","0.1801","0.2055","","","","","","0.965","","","","has coordinates","196743","2020-10-21","18:00:00",""
"7056253","22.71271","0.00079","10.67672","0.0005","7.23916","0.00027","90","","90","","90","","1755.48","0.12","298","2","298","","100","","100","","","","from LASSBio","5","P 21 21 21","P 2ac 2ab","19","LASSBio-1773","(E)-N'-(thiophen-2-ylmethylene)cyclohexanecarbohydrazide","","- C17 H18 N2 O6 S -","- C17 H18 N2 O6 S -","- C68 H72 N8 O24 S4 -","4","1","","Ibiapino, Amanda Laura; de Figueiredo, Laysa Pires; Lima, Lídia Moreira; Barreiro, Eliezer J.; Punzo, Francesco; Ferreira, Fabio Furlan","Structural and physicochemical characterization of sulfonylhydrazone derivatives designed as hypoglycemic agents","New J. Chem.","2017","","","","","10.1039/C7NJ00074J","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","0.0302","1.604","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7056256","10.076","0.0017","10.2553","0.0018","13.237","0.002","90","","90","","90","","1367.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cd N4 O6 -","- C11 H14 Cd N4 O6 -","- C44 H56 Cd4 N16 O24 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0269","0.0211","","","0.0542","0.0556","","","","","","1.09","","","","has coordinates","197061","2020-10-21","18:00:00",""
"7056259","8.577","0.004","9.448","0.005","22.037","0.011","90","","90","","90","","1785.8","1.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N5 O6 Zn -","- C14 H19 N5 O6 Zn -","- C56 H76 N20 O24 Zn4 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0711","0.0609","","","0.1371","0.1404","","","","","","1.092","","","","has coordinates","197061","2020-10-21","18:00:00",""
"7056261","8.5459","0.0004","9.4075","0.0005","21.8986","0.0011","90","","90","","90","","1760.55","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N5 O6 Zn -","- C14 H19 N5 O6 Zn -","- C56 H76 N20 O24 Zn4 -","4","1","","Cheng, Meiling; Wang, Qinghua; Bao, Jinting; Wu, Yujuan; Sun, Lin; Yang, Bingxin; Liu, Qi","Synthesis and structural diversity of d10 metal coordination polymers constructed from new semi-rigid bis(3-methyl-1H-pyrazole-4-carboxylic acid)alkane ligands","New J. Chem.","2017","","","","","10.1039/C7NJ00835J","","","0.71073","MoKα","","0.0313","0.0277","","","0.0651","0.0662","","","","","","1.06","","","","has coordinates","197061","2020-10-21","18:00:00",""
"7056280","10.173","0.002","10.372","0.002","11.119","0.002","90","","90","","90","","1173.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Eu N3 O6 -","- C8 H8 Eu N3 O6 -","- C32 H32 Eu4 N12 O24 -","4","1","","Sun, Yan-Qiong; Liu, Qi; Liu, Le-Hui; Ding, Ling; Chen, Yi-Ping","Two 3D nonlinear optical and luminescent Lanthanide-organic frameworks with multidirectional helical intersecting channels","New J. Chem.","2017","","","","","10.1039/C7NJ01081H","","","0.71073","MoKα","","0.0156","0.0149","","","0.034","0.0342","","","","","","0.984","","","","has coordinates","197198","2020-10-21","18:00:00",""
"7056281","10.243","0.002","10.371","0.002","11.131","0.002","90","","90","","90","","1182.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N3 O6 Sm -","- C8 H8 N3 O6 Sm -","- C32 H32 N12 O24 Sm4 -","4","1","","Sun, Yan-Qiong; Liu, Qi; Liu, Le-Hui; Ding, Ling; Chen, Yi-Ping","Two 3D nonlinear optical and luminescent Lanthanide-organic frameworks with multidirectional helical intersecting channels","New J. Chem.","2017","","","","","10.1039/C7NJ01081H","","","0.71073","MoKα","","0.0131","0.0129","","","0.0289","0.029","","","","","","1.14","","","","has coordinates","197198","2020-10-21","18:00:00",""
"7056288","7.3473","0.0009","10.8184","0.0013","20.154","0.002","90","","90","","90","","1602","0.3","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Cl In N O8 -","- C14 H13 Cl In N O8 -","- C56 H52 Cl4 In4 N4 O32 -","4","1","","Zhang, Lijing; Bai, Fengying; Gao, Xue; Du, Ning; Xing, Yong Heng; Sun, Lixian","Multifunctional Indium Complexes with Fluorescent Sensing and Selective Adsorption Dye Properties","New J. Chem.","2017","","","","","10.1039/C7NJ00680B","","","0.71073","MoKα","","0.0757","0.0496","","","0.0916","0.1021","","","","","","1.05","","","","has coordinates","197557","2020-10-21","18:00:00",""
"7056339","6.7095","0.0002","10.9295","0.0003","19.5603","0.0006","90","","90","","90","","1434.39","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 K N14 O2 -","- C6 H9 K N14 O2 -","- C24 H36 K4 N56 O8 -","4","1","","Safin, Damir A.; Railliet, Antoine P.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Sagan, Filip; Garcia, Yann","Complexes and salts of the nitrogen-rich triazole‒tetrazole hybrid ligand with alkali and alkaline earth metal cations: experimental and theoretical findings","New J. Chem.","2017","","","","","10.1039/C7NJ01391D","","","0.71073","MoKα","","0.0359","0.0325","","","0.0803","0.0829","","","","","","1.032","","","","has coordinates","197840","2020-10-21","18:00:00",""
"7056353","9.4869","0.0007","19.017","0.0014","19.2467","0.0014","90","","90","","90","","3472.3","0.4","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H51 N4 O Si4 Yb -","- C24 H51 N4 O Si4 Yb -","- C96 H204 N16 O4 Si16 Yb4 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","","","","","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0668","0.0616","","","0.1448","0.1503","","","","","","1.059","","","","has coordinates,has disorder","198108","2020-10-21","18:00:00",""
"7056354","9.5148","0.0009","19.1828","0.0018","19.1886","0.0018","90","","90","","90","","3502.3","0.6","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H51 Dy N4 O Si4 -","- C24 H51 Dy N4 O Si4 -","- C96 H204 Dy4 N16 O4 Si16 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","","","","","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0472","0.0439","","","0.1116","0.1145","","","","","","1.112","","","","has coordinates","198108","2020-10-21","18:00:00",""
"7056357","9.5144","0.0008","19.1019","0.0016","19.2125","0.0016","90","","90","","90","","3491.7","0.5","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H51 Er N4 O Si4 -","- C24 H51 Er N4 O Si4 -","- C96 H204 Er4 N16 O4 Si16 -","4","1","","Gu, Xiaoxia; Wang, Shaowu; Wei, Yun; Zhu, Xiancui; Zhou, Shuangliu; Huang, Zeming; Mu, Xiaolong","Rare earth metal bisamido complexes with a NNO tridentate ligand and catalytic activity for selective polymerization of isoprene","New J. Chem.","2017","","","","","10.1039/C7NJ01454F","","","0.71073","MoKα","","0.0302","0.0255","","","0.0558","0.0576","","","","","","1.037","","","","has coordinates","198108","2020-10-21","18:00:00",""
"7056450","7.6676","0.0002","10.8399","0.0004","57.6299","0.0016","90","","90","","90","","4790","0.3","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Fe N O3 S -","- C25 H33 Fe N O3 S -","- C200 H264 Fe8 N8 O24 S8 -","8","2","","Kamenova-Nacheva, Mariana; Schröder, Maria; Pasheva, Evdokia; Slavchev, Ivaylo; Dimitrov, Vladimir; Momekov, Georgi; Petrova, Rosica; Shivachev, Boris Lubomirov; Ugrinova, Iva; Dobrikov, Georgi","Synthesis of ferrocenylmethylidene and arylidene substituted camphane based compounds as potential anticancer agents","New J. Chem.","2017","","","","","10.1039/C7NJ00619E","","x-ray","0.71073","MoKα","","0.0829","0.0603","","","0.137","0.1523","","","","","","1.062","","","","has coordinates,has disorder","198880","2020-10-21","18:00:00",""
"7056463","7.4948","0.0018","10.427","0.002","32.549","0.008","90","","90","","90","","2543.6","1","302","2","302","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 N3 O2.5 -","- C14 H12 N3 O2.5 -","- C112 H96 N24 O20 -","8","2","","Patil, Siddappa A.; Kandathil, Vishal; Fahlman, Bradley; S, Sasidhar B; Patil, Shivaputra","A Convenient, Efficient and Reusable N-Heterocyclic Carbene‒Palladium(II) Based Catalyst Supported on Magnetite for Suzuki‒Miyaura and Mizoroki‒Heck Cross-Coupling Reactions","New J. Chem.","2017","","","","","10.1039/C7NJ01876B","","","0.71073","MoKα","","0.0945","0.0541","","","0.1425","0.1605","","","","","","1.017","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7056539","9.1606","0.0009","9.1763","0.001","15.3777","0.0019","90","","90","","90","","1292.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H7 F5 N2 -","- C15 H7 F5 N2 -","- C60 H28 F20 N8 -","4","1","","Prasannan, Dijo; Arunkumar, Chellaiah","Pentafluorophenyl dipyrrin as probe for transition metal ion detection and its bioremediation in Bacillus subtilis and Bacillus cereus","New J. Chem.","2017","","","","","10.1039/C7NJ02157G","","","0.71073","MoKα","","0.0433","0.0378","","","0.0989","0.1058","","","","","","1.081","","","","has coordinates","199890","2020-10-21","18:00:00",""
"7056553","5.4915","0.0002","17.403","0.0005","24.2402","0.0007","90","","90","","90","","2316.6","0.13","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cu N2 O5 -","- C26 H22 Cu N2 O5 -","- C104 H88 Cu4 N8 O20 -","4","1","","Ahmed, Faruk; Halder, Soumi; Dutta, Basudeb; Islam, Sakhiul; Sen, Chandana; Kundu, Suman; Sinha, Chittaranjan; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Synthesis and structural characterization of Cu(II)-based 1D coordination polymer and its application in Schottky device","New J. Chem.","2017","","","","","10.1039/C7NJ01557G","","","0.71073","MoKα","","0.048","0.0417","","","0.0967","0.0998","","","","","","1.159","","","","has coordinates","199982","2020-10-21","18:00:00",""
"7056612","5.8921","0.0006","12.6006","0.0016","18.796","0.002","90","","90","","90","","1395.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H4 F N5 O12 -","- C9 H4 F N5 O12 -","- C36 H16 F4 N20 O48 -","4","1","","Ma, Jinchao; Yang, Hongwei; Cheng, Guangbin","Study on the synthesis of 2-fluoro-2,2-dinitroethyl esters as potential melt cast matrix in explosive charges","New J. Chem.","2017","","","","","10.1039/C7NJ02717F","","","0.71073","MoKα","","0.1163","0.0514","","","0.074","0.0914","","","","","","1.017","","","","has coordinates","200965","2020-10-21","18:00:00",""
"7056658","5.4969","0.0003","10.735","0.0007","22.1474","0.0012","90","","90","","90","","1306.9","0.13","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","lgc-127","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Kong, Qunshou; Zhuang, Weihua; Li, Gaocan; Xu, Yangyang; Jiang, Qing; Wang, Yunbing","High contrast stimuli-responsive luminescence switching of pyrene-1-carboxylic esters triggered by a crystal-to-crystal transition","New J. Chem.","2017","","","","","10.1039/C7NJ03014B","","x-ray","0.71073","MoKα","","0.0651","0.045","","","0.0885","0.1018","","","","","","1.084","","","","has coordinates","201682","2020-10-21","18:00:00",""
"7056666","13.9894","0.0006","17.6752","0.0007","19.1128","0.0008","90","","90","","90","","4725.9","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H61 B Ir N2 O3 P -","- C54 H61 B Ir N2 O3 P -","- C216 H244 B4 Ir4 N8 O12 P4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Castro, Jesús; Sibilla, Francesca; Trave, Enrico","Preparation of metalated azine complexes of iridium(iii)","New J. Chem.","2017","","","","","10.1039/C7NJ02224G","","","0.71073","MoKα","","0.0244","0.0217","","","0.039","0.0398","","","","","","1.067","","","","has coordinates","201880","2020-10-21","18:00:00",""
"7056700","10.27","0.02","16.5","0.03","23.24","0.05","90","","90","","90","","3938","13","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H35 Co N2 O Se -","- C49 H35 Co N2 O Se -","- C196 H140 Co4 N8 O4 Se4 -","4","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.1529","0.094","","","0.1256","0.1426","","","","","","1.064","","","","has coordinates","202263","2020-10-21","18:00:00",""
"7056706","9.91","0.03","12.38","0.03","14.01","0.04","90","","90","","90","","1719","8","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Fe N O S -","- C18 H17 Fe N O S -","- C72 H68 Fe4 N4 O4 S4 -","4","1","","Deb, Mayukh; Singh, Jatinder; Mallik, Shuvadip; Hazra, Susanta; Elias, Anil J.","Borylation, silylation and selenation of C-H bonds in metal sandwich compounds by applying a directing group strategy","New J. Chem.","2017","","","","","10.1039/C7NJ02388J","","","0.71073","MoKα","","0.0533","0.0377","","","0.0643","0.0687","","","","","","0.864","","","","has coordinates","202263","2020-10-21","18:00:00",""
"7056733","9.3461","0.0019","10.106","0.002","17.704","0.004","90","","90","","90","","1672.2","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 Pt -","- C17 H20 N2 Pt -","- C68 H80 N8 Pt4 -","4","1","","Shahsavari, Hamid R.; Babadi Aghakhanpour, Reza; Hossein-Abadi, Mojdeh; Golbon Haghighi, Mohsen; Notash, Behrouz; fereidoonnezhad, Masood","A New Approach to the Effects of Isocyanide (CN-R) Ligands on the Luminescence Properties of Cycloplatinated(II) Complexes","New Journal of Chemistry","2017","","","","","10.1039/C7NJ03110F","","","0.71073","MoKα","","0.0633","0.0496","","","0.1102","0.1141","","","","","","0.949","","","","has coordinates","202885","2020-10-21","18:00:00",""
"7056781","6.979","0.0007","8.4645","0.0009","19.895","0.002","90","","90","","90","","1175.3","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 Cl2 N O2 S -","- C10 H9 Cl2 N O2 S -","- C40 H36 Cl8 N4 O8 S4 -","4","1","","Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.","X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids","New Journal of Chemistry","2018","42","2","1078","","10.1039/C7NJ02961F","","","0.71073","MoKα","","0.0245","0.0239","","","0.0642","0.0648","","","","","","1.023","","","","has coordinates","230305","2020-10-21","18:00:00",""
"7056784","9.4352","0.0011","10.4526","0.0012","18.336","0.002","90","","90","","90","","1808.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl2 N O4 S -","- C15 H17 Cl2 N O4 S -","- C60 H68 Cl8 N4 O16 S4 -","4","1","","Jagtap, Rohidas M.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Khan, Ayesha A.; Pardeshi, Satish K.","X-ray crystal structures and anti-breast cancer property of 3-tert-butoxycarbonyl-2-arylthiazolidine-4-carboxylic acids","New Journal of Chemistry","2018","42","2","1078","","10.1039/C7NJ02961F","","","0.71073","MoKα","","0.0387","0.0372","","","0.0933","0.0945","","","","","","1.094","","","","has coordinates","230305","2020-10-21","18:00:00",""
"7056816","19.1652","0.0002","15.1252","0.0004","7.3394","0.0001","90","","90","","90","","2127.53","0.07","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Mn(2-MIm)2[Fe(CN)5NO]2H2O","Manganese bis-2-methylimidazole Nitrosylpentacyanoferrate (III) dihydrate","","- C26 Fe2 Mn2 N20 O6 -","- C13 Fe Mn N10 O3 -","- C52 Fe4 Mn4 N40 O12 -","4","1","","Di Santo, A.; Osiry, H.; Reguera, E.; Alborés, P.; Carbonio, R. E.; Ben Altabef, A.; Gil, Diego M.","New coordination polymers based on 2-methylimidazole and transition metal nitroprusside containing building blocks: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","2","1347","","10.1039/C7NJ03585C","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","13.671","1.449","","","","","","","has coordinates","230306","2020-10-21","18:00:00",""
"7056817","19.0005","0.0002","14.7563","0.0001","7.1233","0.0005","90","","90","","90","","1997.21","0.14","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ni(2-MIm)2[Fe(CN)5NO]2H2O","Nikel bis-2-methylimidazole Nitrosylpentacyanoferrate (III) dihydrate","","- C26 Fe2 N20 Ni2 O6 -","- C26 Fe2 N20 Ni2 O6 -","- C52 Fe4 N40 Ni4 O12 -","2","0.5","","Di Santo, A.; Osiry, H.; Reguera, E.; Alborés, P.; Carbonio, R. E.; Ben Altabef, A.; Gil, Diego M.","New coordination polymers based on 2-methylimidazole and transition metal nitroprusside containing building blocks: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","2","1347","","10.1039/C7NJ03585C","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","7.253","1.769","","","","","","","has coordinates","230306","2020-10-21","18:00:00",""
"7056818","19","0.0005","14.9003","0.0005","7.1784","0.0002","90","","90","","90","","2032.25","0.1","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Co(2-MIm)2[Fe(CN)5NO]2H2O","Cobalt bis-2-methylimidazole Nitrosylpentacyanoferrate (III) dihydrate","","- C26 Co2 Fe2 N20 O6 -","- C13 Co Fe N10 O2 -","- C52 Co4 Fe4 N40 O8 -","4","1","","Di Santo, A.; Osiry, H.; Reguera, E.; Alborés, P.; Carbonio, R. E.; Ben Altabef, A.; Gil, Diego M.","New coordination polymers based on 2-methylimidazole and transition metal nitroprusside containing building blocks: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","2","1347","","10.1039/C7NJ03585C","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","13.219","1.2","","","","","","","has coordinates","230306","2020-10-21","18:00:00",""
"7056819","19.0271","0.0004","14.9773","0.0005","7.249","0.0001","90","","90","","90","","2065.78","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fe(2-MIm)2[Fe(CN)5NO]2H2O","Iron bis-2-methylimidazole Nitrosylpentacyanoferrate (III) dihydrate","","- C26 Fe4 N20 O6 -","- C13 Fe2 N10 O2 -","- C52 Fe8 N40 O8 -","4","1","","Di Santo, A.; Osiry, H.; Reguera, E.; Alborés, P.; Carbonio, R. E.; Ben Altabef, A.; Gil, Diego M.","New coordination polymers based on 2-methylimidazole and transition metal nitroprusside containing building blocks: synthesis, structure and magnetic properties","New Journal of Chemistry","2018","42","2","1347","","10.1039/C7NJ03585C","powder diffraction","","1.5406","CuKα","","","0.0922","","","","0.127","","11.633","1.191","","","","","","","has coordinates","230306","2020-10-21","18:00:00",""
"7056830","8.07","0.005","15.118","0.005","24.291","0.005","90","","90","","90","","2964","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 Cl3 N6 Rh -","- C29 H28 Cl3 N6 Rh -","- C116 H112 Cl12 N24 Rh4 -","4","1","","Kumar, Robin; Kishan, Ram; Thomas, Jisha Mary; Chinnappan, Sivasankar; Thirupathi, Natesan","Probing the factors that influence the conformation of a guanidinato ligand in [(η5-C5Me5)M(NN)X] (NN = chelating N,N′,N′′-tri(o-substituted aryl)guanidinate(1−); X = chloro, azido and triazolato)","New Journal of Chemistry","2018","42","3","1853","","10.1039/C7NJ03766J","","","0.71073","MoKα","","0.0488","0.0425","","","0.0808","0.0833","","","","","","1.102","","","","has coordinates,has disorder","230567","2020-10-21","18:00:00",""
"7056894","6.372","0.0006","9.3611","0.0009","14.5803","0.0011","90","","90","","90","","869.7","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H5 F N6 O4 -","- C4 H5 F N6 O4 -","- C16 H20 F4 N24 O16 -","4","1","","Wang, Weixia; Cheng, Guangbin; Xiong, Hualin; Yang, Hongwei","Functionalization of fluorodinitroethylamino derivatives based on azole: a new family of insensitive energetic materials","New Journal of Chemistry","2018","42","4","2994","","10.1039/C7NJ05009G","","","0.71073","MoKα","","0.0601","0.0384","","","0.0599","0.0652","","","","","","1.086","","","","has coordinates,has disorder","230276","2020-10-21","18:00:00",""
"7056968","7.1178","0.0002","17.9132","0.0005","19.8302","0.0006","90","","90","","90","","2528.4","0.13","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 N2 O3 -","- C30 H38 N2 O3 -","- C120 H152 N8 O12 -","4","1","","Ye, Fei; Boukattaya, Fatma; Haddad, Mansour; Ratovelomanana-Vidal, Virginie; Michelet, Véronique","Synthesis of 2-aminopyridines via ruthenium-catalyzed [2+2+2] cycloaddition of 1,6- and 1,7-diynes with cyanamides: scope and limitations","New Journal of Chemistry","2018","42","5","3222","","10.1039/C7NJ04933A","","","1.54178","CuKα","","0.0421","0.0405","","","0.0983","0.0998","","","","","","1.062","","","","has coordinates","230262","2020-10-21","18:00:00",""
"7057033","8.0077","0.0003","18.8247","0.0006","20.1978","0.0007","90","","90","","90","","3044.67","0.18","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","usnic acid","usnic acid","","- C18 H16 O7 -","- C18 H16 O7 -","- C144 H128 O56 -","8","2","","Lage, Tiago C. A.; Maciel, Thamilla Maria S.; Mota, Yane C. C.; Sisto, Francesca; Sabino, José R.; Santos, Josué C. C.; Figueiredo, Isis M.; Masia, Carla; de Fátima, Ângelo; Fernandes, Sergio A.; Modolo, Luzia V.","In vitro inhibition of Helicobacter pylori and interaction studies of lichen natural products with jack bean urease","New Journal of Chemistry","2018","42","7","5356","","10.1039/C8NJ00072G","","","1.54178","CuKα","","0.0233","0.0231","","","0.0628","0.063","","","","","","1.044","","","","has coordinates","230428","2020-10-21","18:00:00",""
"7057071","12.521","0.003","9.249","0.002","18.569","0.004","90","","90","","90","","2150.4","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Br Co N2 O3 P2 -","- C16 H28 Br Co N2 O3 P2 -","- C64 H112 Br4 Co4 N8 O12 P8 -","4","1","","Cruz, Tiago F. C.; Machado, Pedro M. M.; Gomes, Clara S. B.; Ascenso, José R.; Lemos, M. Amélia N. D. A.; Bordado, João C.; Gomes, Pedro T.","Bis(formylpyrrolyl) cobalt complexes as mediators in the reversible-deactivation radical polymerization of styrene and methyl methacrylate","New Journal of Chemistry","2018","42","8","5900","","10.1039/C8NJ00350E","","x-ray","0.71073","MoKα","","0.0645","0.0382","","","0.0584","0.0625","","","","","","1.013","","","","has coordinates","230245","2020-10-21","18:00:00",""
"7057137","13.836","0.003","16.505","0.003","20.607","0.004","90","","90","","90","","4705.9","1.6","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Cl N O2 Pd Te -","- C23 H22 Cl N O2 Pd Te -","- C184 H176 Cl8 N8 O16 Pd8 Te8 -","8","2","","Rajegowda, H. R.; Kumar, P. Raghavendra; Hosamani, Amar; Butcher, R. J.","Synthesis, characterization and determination of absolute structures of palladium complexes of novel chiral acyclic tellurated Schiff base ligands","New Journal of Chemistry","2018","42","8","6264","","10.1039/C8NJ00727F","","","1.54178","CuKα","","0.1137","0.0785","","","0.1724","0.1952","","","","","","0.993","","","","has coordinates,has disorder","230246","2020-10-21","18:00:00",""
"7057139","7.904","0.0002","10.5709","0.0003","20.3219","0.0006","90","","90","","90","","1697.94","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(9-ethylcarbazol-3-yliminomethyl)-5-methylphenol","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C88 H80 N8 O4 -","4","1","","Brink, Alice; Kroon, Robin E.; Visser, Hendrik G.; van Rensburg, Constance E. J.; Roodt, Andreas","Designing model imino bifunctional chelators for radiopharmaceuticals ‒ in vitro antitumor activity, photoluminescence and structural analysis","New Journal of Chemistry","2018","42","7","5193","","10.1039/C7NJ04208F","","","0.71073","MoKα","","","0.0334","","","","0.0882","","","","","","1.052","","","","has coordinates","230419","2020-10-21","18:00:00",""
"7057150","8.8758","0.0002","24.0175","0.0007","28.4657","0.0009","90","","90","","90","","6068.2","0.3","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C59 H63 Cd2 N9 O9 -","- C59 H63 Cd2 N9 O9 -","- C236 H252 Cd8 N36 O36 -","4","1","","Barsukova, Marina O.; Sapchenko, Sergey A.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Potapov, Andrei S.; Dybtsev, Danil N.; Fedin, Vladimir P.","Exploring the multifunctionality in metal‒organic framework materials: how do the stilbenedicarboxylate and imidazolyl ligands tune the characteristics of coordination polymers?","New Journal of Chemistry","2018","42","8","6408","","10.1039/C8NJ00494C","","x-ray","0.71073","MoKα","","0.0875","0.0768","","","0.1875","0.1932","","","","","","1.085","","","","has coordinates","230233","2020-10-21","18:00:00",""
"7057174","10.3964","0.0005","10.8708","0.0005","17.519","0.0007","90","","90","","90","","1979.95","0.15","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O2 -","- C22 H23 N3 O2 -","- C88 H92 N12 O8 -","4","1","","Bouzayani, Nadia; Marque, Sylvain; Djelassi, Brahim; Kacem, Yakdhane; Marrot, Jérôme; Ben Hassine, Béchir","Enantiopure Schiff bases of amino acid phenylhydrazides: impact of the hydrazide function on their structures and properties","New Journal of Chemistry","2018","42","8","6389","","10.1039/C7NJ04597B","","","0.71073","MoKα","","0.0398","0.0345","","","0.087","0.0903","","","","","","1.048","","","","has coordinates","230248","2020-10-21","18:00:00",""
"7057180","11.2284","0.0009","15.3788","0.0012","15.7738","0.0013","90","","90","","90","","2723.8","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O10 Ru3 -","- C24 H20 N2 O10 Ru3 -","- C96 H80 N8 O40 Ru12 -","4","1","","Hao, Zhiqiang; Li, Ning; Yan, Xinlong; Li, Ying; Zong, Siqi; Liu, Huating; Han, Zhangang; Lin, Jin","Ruthenium carbonyl complexes with pyridylalkanol ligands: synthesis, characterization and catalytic properties for aerobic oxidation of secondary alcohols","New Journal of Chemistry","2018","42","9","6968","","10.1039/C8NJ00329G","","","0.71073","MoKα","","0.0256","0.0216","","","0.05","0.0523","","","","","","1.149","","","","has coordinates","230432","2020-10-21","18:00:00",""
"7057262","7.2434","0.0005","7.9376","0.0005","47.215","0.003","90","","90","","90","","2714.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Co-crystal between 3-[4-(N,N-dimethylamino) phenylethynyl] pyridine and 1-(3,5-dinitrophenylethynyl)-2,3,5,6-tetrafluoro-4-iodobenzene","","","- C29 H17 F4 I N4 O4 -","- C29 H17 F4 I N4 O4 -","- C116 H68 F16 I4 N16 O16 -","4","1","","Nwachukwu, Chideraa I.; Kehoe, Zachary R.; Bowling, Nathan P.; Speetzen, Erin D.; Bosch, Eric","Cooperative halogen bonding and polarized π-stacking in the formation of coloured charge-transfer co-crystals","New Journal of Chemistry","2018","42","13","10615","","10.1039/C8NJ00693H","","","0.71073","MoKα","","0.0386","0.0368","","","0.0717","0.0724","","","","","","1.161","","","","has coordinates","230382","2020-10-21","18:00:00",""
"7057265","9.0731","0.0007","14.0441","0.001","24.1001","0.0017","90","","90","","90","","3070.9","0.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 F6 Fe N5 O6 S2 -","- C25 H27 F6 Fe N5 O6 S2 -","- C100 H108 F24 Fe4 N20 O24 S8 -","4","1","","Du, Junyi; Zhang, Jisheng; Zhu, Jianhua; Xia, Chungu; Sun, Wei","Synthesis, characterization, and reactivity of a chiral Fe(iv)‒oxo complex bearing an l-proline-derived aminopyridine ligand","New Journal of Chemistry","2018","42","11","8315","","10.1039/C8NJ00964C","","","0.71073","MoKα","","0.043","0.04","","","0.1148","0.1186","","","","","","1.007","","","","has coordinates","230529","2020-10-21","18:00:00",""
"7057421","5.5616","0.0001","14.0149","0.0004","20.3191","0.0005","90","","90","","90","","1583.78","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Br N3 O2 -","- C15 H22 Br N3 O2 -","- C60 H88 Br4 N12 O8 -","4","1","","Il’in, Mikhail; Bolotin, Dmitrii S.; Suslonov, Vitalii V.; Kukushkin, Vadim Yu.","Facile Selective Synthesis of 2-Methyl-5-amino-1,2,4-oxadiazolium Bromides as Further Targets for Nucleophilic Additions","New Journal of Chemistry","2018","","","","","10.1039/C8NJ01682H","","x-ray","1.54184","CuKα","","0.0256","0.0234","","","0.0583","0.0596","","","","","","1.091","","","","has coordinates","207710","2020-10-21","18:00:00",""
"7057440","7.597","0.005","10.743","0.005","20.703","0.005","90","","90","","90","","1689.7","1.4","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-(pyrrolidin-1-yl)toluyl-quinoline","'6-(pyrrolidin-1-yl)-2-(p-tolyl)-4-(trifluoromethyl)quinoline'","","- C21 H19 F3 N2 -","- C21 H19 F3 N2 -","- C84 H76 F12 N8 -","4","1","","Bonacorso, Helio G.; Rodrigues, Melissa B.; Iglesias, Bernardo A.; da Silveira, Carolina H.; Feitosa, Sarah C.; Rosa, Wilian C.; Martins, Marcos A. P.; Frizzo, Clarissa P.; Zanatta, Nilo","New 2-(aryl/heteroaryl)-6-(morpholin-4-yl/pyrrolidin-1-yl)-(4-trifluoromethyl)quinolines: synthesis via Buchwald‒Hartwig amination, photophysics, and biomolecular binding properties","New Journal of Chemistry","2018","42","12","10024","","10.1039/C8NJ01120F","","x-ray","0.71073","MoKα","","0.0424","0.0355","","","0.085","0.0883","","","","","","1.058","","","","has coordinates","230556","2020-10-21","18:00:00",""
"7057449","8.913","0.0018","14.057","0.003","6.573","0.0013","90","","90","","90","","823.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H2 N8 O4 -","- C5 H2 N8 O4 -","- C20 H8 N32 O16 -","4","1","","Ma, Congming; Pan, Yong; Jiang, Juncheng; Liu, Zuliang; Yao, Qizheng","Synthesis and thermal behavior of a fused, tricyclic pyridine-based energetic material: 4-amino-5-nitro-[1,2,5]oxadiazolo[3,4-e]tetra-zolo[1,5-a]pyridine-3-oxide","New Journal of Chemistry","2018","42","14","11259","","10.1039/C8NJ01341A","","","0.71073","MoKα","","0.057","0.0456","","","0.1156","0.1277","","","","","","1.068","","","","has coordinates","230415","2020-10-21","18:00:00",""
"7057472","8.5159","0.0003","9.7262","0.0004","24.59","0.001","90","","90","","90","","2036.72","0.14","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Rh (n5-C5Me5)(dmen)Cl](CF3SO3)","","","- C15 H27 Cl F3 N2 O3 Rh S -","- C15 H27 Cl F3 N2 O3 Rh S -","- C60 H108 Cl4 F12 N8 O12 Rh4 S4 -","4","1","","Mészáros, János P.; Dömötör, Orsolya; Hackl, Carmen M.; Roller, Alexander; Keppler, Bernhard K.; Kandioller, Wolfgang; Enyedy, Éva A.","Structural and solution equilibrium studies on half-sandwich organorhodium complexes of (N,N) donor bidentate ligands","New Journal of Chemistry","2018","42","13","11174","","10.1039/C8NJ01681J","","","0.71073","MoKα","","0.0138","0.0135","","","0.034","0.0342","","","","","","1.097","","","","has coordinates","230375","2020-10-21","18:00:00",""
"7057502","6.7825","0.0001","12.1423","0.0002","22.271","0.0004","90","","90","","90","","1834.13","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Fe N O3 S -","- C21 H17 Fe N O3 S -","- C84 H68 Fe4 N4 O12 S4 -","4","1","","Shinde, Dilip Nivrutti; Trivedi, Rajiv; Krishna, Jonnadula V. S.; Giribabu, L.; Sridhar, B.; Khursade, Parag S.; Prakasham, R. S.","N-Arylation of ferrocenyl 2,4-thiazolidinedione conjugates via a copper-catalysed Chan‒Lam cross coupling reaction with aryl boronic acids and their optoelectronic properties","New Journal of Chemistry","2018","42","15","12587","","10.1039/C8NJ01598H","","","0.71073","MoKα","","0.1522","0.0609","","","0.0894","0.108","","","","","","1.004","","","","has coordinates","230465","2020-10-21","18:00:00",""
"7057503","9.764","0.002","14.74","0.003","24.007","0.005","90","","90","","90","","3455.1","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N4 O9 -","- C32 H32 N4 O9 -","- C128 H128 N16 O36 -","4","1","","Rossetti, Arianna; Landoni, Stefano; Meneghetti, Fiorella; Castellano, Carlo; Mori, Matteo; Colombo Dugoni, Greta; Sacchetti, Alessandro","Application of chiral bi- and tetra-dentate bispidine-derived ligands in the copper(ii)-catalyzed asymmetric Henry reaction","New Journal of Chemistry","2018","42","14","12072","","10.1039/C8NJ01930D","","","0.71073","MoKα","","0.0442","0.039","","","0.1","0.1039","","","","","","1.046","","","","has coordinates","230413","2020-10-21","18:00:00",""
"7057504","10.517","0.005","11.646","0.005","22.808","0.005","90","","90","","90","","2793.5","1.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H36 N2 O -","- C35 H36 N2 O -","- C140 H144 N8 O4 -","4","1","","Rossetti, Arianna; Landoni, Stefano; Meneghetti, Fiorella; Castellano, Carlo; Mori, Matteo; Colombo Dugoni, Greta; Sacchetti, Alessandro","Application of chiral bi- and tetra-dentate bispidine-derived ligands in the copper(ii)-catalyzed asymmetric Henry reaction","New Journal of Chemistry","2018","42","14","12072","","10.1039/C8NJ01930D","","","0.71073","MoKα","","0.0645","0.0471","","","0.1084","0.119","","","","","","1.034","","","","has coordinates","230413","2020-10-21","18:00:00",""
"7057506","5.2976","0.0005","13.2046","0.0013","15.2907","0.0016","90","","90","","90","","1069.63","0.18","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C40 H56 N8 O16 -","4","1","","Seth, Saikat Kumar; Bauzá, Antonio; Frontera, Antonio","Bipolar behaviour of salt-bridges: a combined theoretical and crystallographic study","New Journal of Chemistry","2018","42","14","12134","","10.1039/C8NJ02194E","","","0.71073","MoKα","","0.0272","0.0256","","","0.0671","0.0689","","","","","","1.045","","","","has coordinates","230411","2020-10-21","18:00:00",""
"7057518","11.2578","0.0017","15.878","0.002","37.239","0.006","90","","90","","90","","6656.5","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H102 Cu2 N2 O8 -","- C68 H102 Cu2 N2 O8 -","- C272 H408 Cu8 N8 O32 -","4","1","","Rajput, Amit; Kumar, Akhilesh; Sengupta, Arunava; Tyagi, Priyanka; Arora, Himanshu","Copper (ii) dimers stabilized by bis(phenol) amine ligands: theoretical and experimental insights","New Journal of Chemistry","2018","42","15","12621","","10.1039/C8NJ02591F","","","0.71073","MoKα","","0.0788","0.0549","","","0.1128","0.1257","","","","","","0.993","","","","has coordinates","230460","2020-10-21","18:00:00",""
"7057559","8.0221","0.0002","8.5085","0.0002","23.2424","0.0004","90","","90","","90","","1586.43","0.06","123","0.1","123","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Kovalska, Vladyslava; Chernii, Svitlana; Losytskyy, Mykhaylo; Tretyakova, Iryna; Dovbii, Yan; Gorski, Alexandr; Chernii, Victor; Czerwieniec, Rafal; Yarmoluk, Sergiy","Design of functionalized β-ketoenole derivatives as efficient fluorescent dyes for detection of amyloid fibrils","New Journal of Chemistry","2018","42","16","13308","","10.1039/C8NJ01020J","","x-ray","1.54184","CuKα","","0.0367","0.0316","","","0.0751","0.0784","","","","","","1.044","","","","has coordinates","230344","2020-10-21","18:00:00",""
"7057587","19.4006","0.0008","19.7985","0.0007","22.1693","0.0015","90","","90","","90","","8515.3","0.7","98","","98","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C116 H120 Fe8 K11 N12 O87.6 -","- C116 H120 Fe8 K11 N12 O87.6 -","- C232 H240 Fe16 K22 N24 O175.2 -","2","0.5","","Stewart, Christopher D.; Arman, Hadi; Benavides, Brenda; Musie, Ghezai T.","Crystal structure of gluconate bound iron(iii) complex: synthesis, characterization and redox properties of the complex in aqueous solution","New Journal of Chemistry","2018","42","18","15088","","10.1039/C8NJ01886C","","","0.71073","MoKα","","0.0705","0.0621","","","0.161","0.1661","","","","","","1.135","","","","has coordinates,has disorder","230467","2020-10-21","18:00:00",""
"7057687","13.4397","0.0017","21.954","0.003","29.009","0.004","90","","90","","90","","8559","2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H54 Cl4 N12 Ni O4 Ru2 -","- C50 H54 Cl4 N12 Ni O4 Ru2 -","- C200 H216 Cl16 N48 Ni4 O16 Ru8 -","4","1","","Ru, Jing; Zhang, Ru-Fen; Shi, Yang; Zhang, Shao-Liang; Li, Qian-Li; Ma, Chun-Lin","Synthesis, structures and magnetic properties of heterobimetallic RuIII‒3d (3d = Mn, Ni) compounds based on the chiral RuIII building block","New Journal of Chemistry","2018","42","19","16237","","10.1039/C8NJ03747G","","","0.71073","MoKα","","0.0737","0.0392","","","0.0654","0.0709","","","","","","1.04","","","","has coordinates","230329","2020-10-21","18:00:00",""
"7057688","12.985","0.005","21.513","0.008","27.216","0.01","90","","90","","90","","7603","5","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H54 Cl4 N12 Ni O4 Ru2 -","- C50 H54 Cl4 N12 Ni O4 Ru2 -","- C200 H216 Cl16 N48 Ni4 O16 Ru8 -","4","1","","Ru, Jing; Zhang, Ru-Fen; Shi, Yang; Zhang, Shao-Liang; Li, Qian-Li; Ma, Chun-Lin","Synthesis, structures and magnetic properties of heterobimetallic RuIII‒3d (3d = Mn, Ni) compounds based on the chiral RuIII building block","New Journal of Chemistry","2018","42","19","16237","","10.1039/C8NJ03747G","","","0.71073","MoKα","","0.0835","0.0765","","","0.1919","0.1955","","","","","","1.067","","","","has coordinates","230329","2020-10-21","18:00:00",""
"7057826","6.596","0.005","8.066","0.005","24.761","0.005","90","","90","","90","","1317.4","1.3","150","0.14","150","0.14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3'aR,6'R,6'aR,7R)-2',2'-dimethyl-octahydro-3'aH-spiro[[1,2,3]triazolo[4,3-c][1,4]oxazine-7,4'-furo[3,4-d][1,3]dioxol]-6'-ylmethanol","","- C12 H17 N3 O5 -","- C12 H17 N3 O5 -","- C48 H68 N12 O20 -","4","1","","Cobb, Alexander J. A.; Dell’Isola, Antonio; Abdulsattar, Ban O.; McLachlan, Matthew M. W.; Neuman, Benjamin W.; Müller, Christin; Shankland, Kenneth; Al-Mulla, Hawaa M. N.; Binks, Alexander W. D.; Elvidge, Warren","Synthesis and antiviral activity of novel spirocyclic nucleosides","New Journal of Chemistry","2018","42","22","18363","","10.1039/C8NJ02777C","","","0.71073","MoKα","","0.0514","0.0427","","","0.0779","0.0816","","","","","","1.091","","","","has coordinates","230215","2020-10-21","18:00:00",""
"7057843","9.92","0.004","14.406","0.006","14.898","0.006","90","","90","","90","","2129","1.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Br0.76 Cl1.24 Cr N2 -","- C23 H23 Br0.766 Cl1.234 Cr N2 -","- C92 H92 Br3.064 Cl4.936 Cr4 N8 -","4","1","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Conradie, Jeanet; Landman, Marilé","Base-free glucose dehydration catalysed by NHC-stabilised heterohalo cyclopentadienyl Cr(iii) complexes","New Journal of Chemistry","2018","42","23","19193","","10.1039/C8NJ04804E","","","0.71073","MoKα","","0.0616","0.0473","","","0.1083","0.1155","","","","","","1.059","","","","has coordinates","230504","2020-10-21","18:00:00",""
"7057845","9.927","0.001","14.6703","0.0014","15.1733","0.0016","90","","90","","90","","2209.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br0.65 Cl1.35 Cr N2 -","- C24 H25 Br0.648 Cl1.352 Cr N2 -","- C96 H100 Br2.592 Cl5.408 Cr4 N8 -","4","1","","Malan, Frederick P.; Singleton, Eric; van Rooyen, Petrus H.; Conradie, Jeanet; Landman, Marilé","Base-free glucose dehydration catalysed by NHC-stabilised heterohalo cyclopentadienyl Cr(iii) complexes","New Journal of Chemistry","2018","42","23","19193","","10.1039/C8NJ04804E","","","0.71073","MoKα","","0.0232","0.0211","","","0.0474","0.0481","","","","","","1.055","","","","has coordinates","230504","2020-10-21","18:00:00",""
"7057887","7.235","0.005","11.39","0.008","18.119","0.012","90","","90","","90","","1493.1","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Sun, Yue-Wei; Wang, Lan-Zhi","One-pot synthesis of novel functionalized benzodiazepines via three-component or domino reactions","New Journal of Chemistry","2018","42","24","20032","","10.1039/C8NJ04893B","","","0.71073","MoKα","","0.0982","0.0535","","","0.0982","0.1091","","","","","","1.048","","","","has coordinates","230174","2020-10-21","18:00:00",""
"7057918","8.3252","0.0004","9.3565","0.0005","32.486","0.0019","90","","90","","90","","2530.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cd N4 O9 -","- C26 H20 Cd N4 O9 -","- C104 H80 Cd4 N16 O36 -","4","1","","Xie, Xiaoxin; Yu, Shihang; Yang, Chenglin; Zhang, Jian; Li, Zifeng; Li, Gang","Iron(iii) identification and proton conduction of a luminescent cadmium‒organic framework","New Journal of Chemistry","2018","42","24","20197","","10.1039/C8NJ04331K","","","0.71073","MoKα","","0.0532","0.047","","","0.1083","0.112","","","","","","1.076","","","","has coordinates","230181","2020-10-21","18:00:00",""
"7057925","9.9999","0.0006","12.093","0.0007","14.9368","0.0008","90","","90","","90","","1806.29","0.18","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Cl N3 O4 Rh -","- C17 H15 Cl N3 O4 Rh -","- C68 H60 Cl4 N12 O16 Rh4 -","4","1","","Vasilchenko, Danila; Tkachev, Sergey; Baidina, Iraida; Korolkov, Ilya; Berdyugin, Semen; Kozlova, Ekaterina; Kozlov, Denis","Preparation of a rhodium(iii) cis-diaquacomplex by protic acid induced oxalate-release from mer-[Rh(C2O4)Cl(py)3]","New Journal of Chemistry","2018","42","24","19637","","10.1039/C8NJ04264K","","","0.71073","MoKα","","0.0365","0.0284","","","0.0654","0.0683","","","","","","1.037","","","","has coordinates","230164","2020-10-21","18:00:00",""
"7057963","5.512","0.0001","10.4289","0.0003","29.3412","0.0007","90","","90","","90","","1686.65","0.07","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cu N4 O6 S2 -","- C12 H12 Cu N4 O6 S2 -","- C48 H48 Cu4 N16 O24 S8 -","4","1","","Zhang, Xiaoyin; Zhang, Xia; Fan, Chuanbin; Zong, Ziao; Zhang, Dongmei; Bi, Caifeng; Fan, Yuhua","Syntheses, structural diversity and photocatalytic properties of three coordination polymers assembled by different N-heterocyclic ligands","New Journal of Chemistry","2019","43","1","320","","10.1039/C8NJ04853C","","","0.71073","MoKα","","0.0267","0.025","","","0.067","0.0678","","","","","","1.087","","","","has coordinates","224751","2020-10-21","18:00:00",""
"7057970","8.9969","0.0004","18.5997","0.0008","24.0165","0.0011","90","","90","","90","","4018.9","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H38 Br Cu O P2 S2 -","- C46 H38 Br Cu O P2 S2 -","- C184 H152 Br4 Cu4 O4 P8 S8 -","4","1","","Kumari, Kavita; Singh, Anoop S.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Catalytic activity of new heteroleptic [Cu(PPh3)2(β-oxodithioester)] complexes: click derived triazolyl glycoconjugates","New Journal of Chemistry","2019","43","3","1166","","10.1039/C8NJ05075A","","","0.71073","MoKα","","0.0964","0.0673","","","0.1005","0.1103","","","","","","0.989","","","","has coordinates","225002","2020-10-21","18:00:00",""
"7057971","9.0195","0.0009","24.13","0.003","18.6511","0.0016","90","","90","","90","","4059.2","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H41 Cu O2 P2 S2 -","- C47 H41 Cu O2 P2 S2 -","- C188 H164 Cu4 O8 P8 S8 -","4","1","","Kumari, Kavita; Singh, Anoop S.; Manar, Krishna K.; Yadav, Chote Lal; Tiwari, Vinod K.; Drew, Michael G. B.; Singh, Nanhai","Catalytic activity of new heteroleptic [Cu(PPh3)2(β-oxodithioester)] complexes: click derived triazolyl glycoconjugates","New Journal of Chemistry","2019","43","3","1166","","10.1039/C8NJ05075A","","","0.71073","MoKα","","0.1481","0.0835","","","0.1425","0.1681","","","","","","0.974","","","","has coordinates","225002","2020-10-21","18:00:00",""
"7058070","5.4334","0.0007","6.5582","0.0009","13.8317","0.0019","90","","90","","90","","492.87","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H2 N6 -","- C3 H2 N6 -","- C12 H8 N24 -","4","1","","Wang, Guilong; Lu, Tian; Fan, Guijuan; Yin, Hongquan; Chen, Fu-Xue","Synthesis and properties of insensitive [1,2,4]triazolo[4,3-b]-1,2,4,5-tetrazine explosives","New Journal of Chemistry","2019","43","4","1663","","10.1039/C8NJ05220D","","","0.71073","MoKα","","0.0916","0.0886","","","0.2403","0.2426","","","","","","0.995","","","","has coordinates","224800","2020-10-21","18:00:00",""
"7058133","5.9854","0.0003","19.6802","0.0008","23.593","0.0016","90","","90","","90","","2779.1","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 N4 O5 -","- C28 H37 N3 O6 -","- C112 H148 N12 O24 -","4","1","","Podder, Debasish; Chowdhury, Srayoshi Roy; Nandi, Sujay Kumar; Haldar, Debasish","Tripeptide based super-organogelators: structure and function","New Journal of Chemistry","2019","43","9","3743","","10.1039/C8NJ05578E","","x-ray","0.71073","MoKα","","0.0688","0.0537","","","0.1437","0.1548","","","","","","0.987","","","","has coordinates","224891","2020-10-21","18:00:00",""
"7058180","10.2051","0.0002","12.0183","0.0003","19.9352","0.0004","90","","90","","90","","2445.01","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11.27 N0.73 O2.18 -","- C8 H11.2727 N0.727273 O2.18182 -","- C88 H124 N8 O24 -","11","2.75","","Konda, Maruthi; Ghosh, Tapas; Mobin, Shaikh M.; Das, Apurba K.","Intertwined gababutin-based supramolecular double helix","New Journal of Chemistry","2019","43","12","4830","","10.1039/C8NJ05009K","","","1.5418","CuKα","","0.0458","0.0438","","","0.1234","0.1287","","","","","","1.07","","","","has coordinates","224993","2020-10-21","18:00:00",""
"7058195","7.3393","0.0006","13.1519","0.0018","21.8069","0.0018","90","","90","","90","","2104.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Fe N4 O6 -","- C20 H27 Fe N4 O6 -","- C80 H108 Fe4 N16 O24 -","4","1","","Nemec, Ivan; Zoufalý, Pavel; Jewula, Pawel; Antal, Peter; Linert, Wolfgang; Herchel, Radovan","Ion-pair complexes of Schiff base Fe(iii) cations and complex anions","New Journal of Chemistry","2019","43","12","4937","","10.1039/C9NJ00192A","","","0.71073","MoKα","","0.0797","0.0489","","","0.1063","0.1141","","","","","","0.981","","","","has coordinates,has disorder","224991","2020-10-21","18:00:00",""
"7058235","11.5438","0.0005","14.8242","0.0007","21.829","0.0017","90","","90","","90","","3735.5","0.4","120","2","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H20 F8 I2 N4 O2 -","- C42 H20 F8 I2 N4 O2 -","- C168 H80 F32 I8 N16 O8 -","4","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Induction of chirality in 4,4′-azopyridine by halogen-bonding interaction with optically active ditopic donors","New Journal of Chemistry","2019","43","14","5512","","10.1039/C8NJ05750H","","","0.71073","MoKα","","0.0584","0.046","","","0.1174","0.1234","","","","","","1.087","","","","has coordinates","224875","2020-10-21","18:00:00",""
"7058236","5.2031","0.0002","17.8566","0.0004","32.8945","0.0008","90","","90","","90","","3056.22","0.15","120","2","119.99","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 F8 I2 N4 O2 -","- C30 H22 F8 I2 N4 O2 -","- C120 H88 F32 I8 N16 O8 -","4","1","","Alfuth, Jan; Chojnacki, Jarosław; Połoński, Tadeusz; Olszewska, Teresa","Induction of chirality in 4,4′-azopyridine by halogen-bonding interaction with optically active ditopic donors","New Journal of Chemistry","2019","43","14","5512","","10.1039/C8NJ05750H","","","0.71073","MoKα","","0.0458","0.0357","","","0.0874","0.0907","","","","","","1.08","","","","has coordinates","224875","2020-10-21","18:00:00",""
"7058247","9.2019","0.0005","11.2119","0.0006","21.9518","0.0011","90","","90","","90","","2264.8","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[Cu(L2)Cl]Clo4","","","- C20 H22 Cl2 Cu N4 O6 -","- C20 H22 Cl2 Cu N4 O6 -","- C80 H88 Cl8 Cu4 N16 O24 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Tusa, Ada F.; Bordelon, Nicole E.; Fischer, Roland C.; Mautner, Franz A.; Vančo, Ján; Hošek, Jan; Dvořák, Zdeněk; Trávníček, Zdeněk","Copper(ii) complexes based on tripodal pyridyl amine derivatives as efficient anticancer agents","New Journal of Chemistry","2019","43","16","6186","","10.1039/C9NJ00061E","","","0.71073","MoKα","","0.0247","0.0219","","","0.0528","0.0537","","","","","","1.018","","","","has coordinates,has disorder","224844","2020-10-21","18:00:00",""
"7058253","5.0477","0.0004","6.1732","0.0005","41.665","0.003","90","","90","","90","","1298.3","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-nitrobenzyl 2,3,4,5,6-pentafluorophenyl sulfide","","- C13 H6 F5 N O2 S -","- C13 H6 F5 N O2 S -","- C52 H24 F20 N4 O8 S4 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan Francesc; Cardellicchio, Cosimo","Supramolecular synthons in fluorinated benzyl nitrophenyl sulfides","New Journal of Chemistry","2019","43","15","5940","","10.1039/C8NJ05350B","","","0.71073","MoKα","","0.0819","0.0496","","","0.1006","0.1122","","","","","","1.026","","","","has coordinates","224914","2020-10-21","18:00:00",""
"7058254","5.5057","0.0003","14.4111","0.0009","16.1789","0.001","90","","90","","90","","1283.69","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4-nitrophenyl 2,3,4,5,6-pentafluorobenzyl sulfide","","- C13 H6 F5 N O2 S -","- C13 H6 F5 N O2 S -","- C52 H24 F20 N4 O8 S4 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan Francesc; Cardellicchio, Cosimo","Supramolecular synthons in fluorinated benzyl nitrophenyl sulfides","New Journal of Chemistry","2019","43","15","5940","","10.1039/C8NJ05350B","","","0.71073","MoKα","","0.0437","0.0334","","","0.0785","0.0833","","","","","","1.013","","","","has coordinates","224914","2020-10-21","18:00:00",""
"7058289","9.3404","0.0004","14.3252","0.0006","22.665","0.001","90","","90","","90","","3032.6","0.2","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 I3 N6 -","- C24 H27 I3 N6 -","- C96 H108 I12 N24 -","4","1","","Kandel, Shambhu; Sathish, Veerasamy; Mathivathanan, Logesh; Morozov, Alexander N.; Mebel, Alexander M.; Raptis, Raphael G.","Aggregation induced emission enhancement (AIEE) of tripodal pyrazole derivatives for sensing of nitroaromatics and vapor phase detection of picric acid","New Journal of Chemistry","2019","43","19","7251","","10.1039/C9NJ00166B","","","0.71073","MoKα","","0.0923","0.0458","","","0.0747","0.0842","","","","","","1.04","","","","has coordinates,has disorder","224834","2020-10-21","18:00:00",""
"7058304","6.1222","0.001","11.956","0.002","14.361","0.0018","90","","90","","90","","1051.2","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Br N2 -","- C10 H11 Br N2 -","- C40 H44 Br4 N8 -","4","1","","Hua, Guoxiong; Du, Junyi; Carpenter-Warren, Cameron L.; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek","New insight into the chemistry of selenoureas: synthesis and single crystal structural study of diverse derivatives","New Journal of Chemistry","2019","43","18","7035","","10.1039/C9NJ01059A","","","0.71075","MoKα","","0.0358","0.025","","","0.0465","0.0482","","","","","","0.989","","","","has coordinates","224918","2020-10-21","18:00:00",""
"7058332","9.6116","0.0005","21.6883","0.0012","7.1486","0.0004","90","","90","","90","","1490.19","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Fujita38-2","","","- C14 H16 Br N O4 -","- C14 H16 Br N O4 -","- C56 H64 Br4 N4 O16 -","4","1","","Fujita, Hikaru; Jing, Haoyu; Krayer, Michael; Allu, Srinivasarao; Veeraraghavaiah, Gorre; Wu, Zhiyuan; Jiang, Jianbing; Diers, James R.; Magdaong, Nikki Cecil M.; Mandal, Amit K.; Roy, Arpita; Niedzwiedzki, Dariusz M.; Kirmaier, Christine; Bocian, David F.; Holten, Dewey; Lindsey, Jonathan S.","Annulated bacteriochlorins for near-infrared photophysical studies","New Journal of Chemistry","2019","43","19","7209","","10.1039/C9NJ01113G","","","0.71073","MoKα","","0.0531","0.04","","","0.0898","0.0938","","","","","","1.138","","","","has coordinates","224837","2020-10-21","18:00:00",""
"7058409","7.387","0.0001","9.4146","0.0002","36.6094","0.0006","90","","90","","90","","2546.02","0.08","149.9","0.3","149.9","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Fe N4 O9 -","- C25 H30 Fe N4 O9 -","- C100 H120 Fe4 N16 O36 -","4","1","","Peigneguy, Fanny; Allain, Magali; Cougnon, Charles; Frère, Pierre; Siegler, Benjamin; Bressy, Christine; Gohier, Frédéric","Syntheses and NMR and XRD studies of carbohydrate‒ferrocene conjugates","New Journal of Chemistry","2019","43","24","9706","","10.1039/C9NJ01563A","","","1.54184","CuKα","","0.0336","0.0311","","","0.076","0.0794","","","","","","1.025","","","","has coordinates","224689","2020-10-21","18:00:00",""
"7058410","7.2219","0.0002","8.0816","0.0002","39.3464","0.0009","90","","90","","90","","2296.43","0.1","150","0.2","150","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Fe N3 O6 -","- C25 H29 Fe N3 O6 -","- C100 H116 Fe4 N12 O24 -","4","1","","Peigneguy, Fanny; Allain, Magali; Cougnon, Charles; Frère, Pierre; Siegler, Benjamin; Bressy, Christine; Gohier, Frédéric","Syntheses and NMR and XRD studies of carbohydrate‒ferrocene conjugates","New Journal of Chemistry","2019","43","24","9706","","10.1039/C9NJ01563A","","","1.54184","CuKα","","0.0315","0.0299","","","0.0711","0.0718","","","","","","1.061","","","","has coordinates","224689","2020-10-21","18:00:00",""
"7058413","5.646","0.0001","11.2718","0.0002","34.72","0.0005","90","","90","","90","","2209.6","0.06","150","0.5","150","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Fe N4 O5 -","- C24 H26 Fe N4 O5 -","- C96 H104 Fe4 N16 O20 -","4","1","","Peigneguy, Fanny; Allain, Magali; Cougnon, Charles; Frère, Pierre; Siegler, Benjamin; Bressy, Christine; Gohier, Frédéric","Syntheses and NMR and XRD studies of carbohydrate‒ferrocene conjugates","New Journal of Chemistry","2019","43","24","9706","","10.1039/C9NJ01563A","","","1.54184","CuKα","","0.0351","0.0324","","","0.0816","0.0853","","","","","","1.07","","","","has coordinates","224689","2020-10-21","18:00:00",""
"7058433","10.4933","0.0003","20.1773","0.0005","24.5352","0.0007","90","","90","","90","","5194.8","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H83 P Si2 Th -","- C51 H83 P Si2 Th -","- C204 H332 P4 Si8 Th4 -","4","1","","Wang, Yongsong; Zhang, Congcong; Zi, Guofu; Ding, Wanjian; Walter, Marc D.","Preparation of a potassium chloride bridged thorium phosphinidiide complex and its reactivity towards small organic molecules","New Journal of Chemistry","2019","43","24","9527","","10.1039/C9NJ02269D","","x-ray","0.71073","MoKα","","0.0432","0.0363","","","0.0504","0.0526","","","","","","1.013","","","","has coordinates,has disorder","224687","2020-10-21","18:00:00",""
"7058570","6.5935","0.0011","7.7118","0.0014","11.559","0.002","90","","90","","90","","587.75","0.18","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H3 N3 O4 -","- C4 H3 N3 O4 -","- C16 H12 N12 O16 -","4","1","","Thaltiri, Vikranth; Chavva, Kurumurthy; Kumar, B. Sathish; Panda, Pradeepta K.","Efficient synthesis of N-methyltetranitropyrrole: A stable, insensitive and high energy melt-castable material","New Journal of Chemistry","2019","43","31","12318","","10.1039/C9NJ01227C","","","0.71073","MoKα","","0.0251","0.0246","","","0.0656","0.0661","","","","","","1.102","","","","has coordinates","224906","2020-10-21","18:00:00",""
"7058581","10.7521","0.0008","15.6443","0.0011","18.243","0.0013","90","","90","","90","","3068.6","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 N2 O11 V2 -","- C24 H38 N2 O11 V2 -","- C96 H152 N8 O44 V8 -","4","1","","Zechel, Filip; Schwendt, Peter; Gyepes, Róbert; Šimunek, Ján; Tatiersky, Jozef; Krivosudsky, Lukas","Vanadium(V) complexes of mandelic acid","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02275A","","","0.71073","MoKα","","0.062","0.0512","","","0.1335","0.1424","","","","","","1.043","","","","has coordinates","216783","2020-10-21","18:00:00",""
"7058621","10.3451","0.0014","10.5215","0.0014","14.8306","0.0019","90","","90","","90","","1614.3","0.4","373","2","373","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O4 -","- C19 H15 Br O4 -","- C76 H60 Br4 O16 -","4","1","","Sonsona, Isaac G.; Marqués-López, Eugenia; Gimeno, M. Concepción; Herrera, Raquel P.","First aromatic amine organocatalysed activation of α,β-unsaturated ketones","New Journal of Chemistry","2019","43","31","12233","","10.1039/C9NJ02392E","","","0.71073","MoKα","","0.0285","0.0237","","","0.0509","0.0522","","","","","","1.047","","","","has coordinates","224907","2020-10-21","18:00:00",""
"7058625","5.9407","0.0002","8.0196","0.0003","20.6459","0.0006","90","","90","","90","","983.61","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 O Te -","- C12 H8 O Te -","- C48 H32 O4 Te4 -","4","1","","Mostaghimi, Farzin; Lork, Enno; Hong, Intek; Roemmele, Tracey L.; Boeré, René T.; Mebs, Stefan; Beckmann, Jens","The reaction of phenoxatellurine with single-electron oxidizers revisited","New Journal of Chemistry","2019","43","32","12754","","10.1039/C9NJ02401H","","","0.71073","MoKα","","0.0303","0.0258","","","0.048","0.0491","","","","","","1.029","","","","has coordinates","224738","2020-10-21","18:00:00",""
"7058638","5.9908","0.0003","11.7936","0.0007","38.853","0.002","90","","90","","90","","2745.1","0.3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 N O9 V -","- C29 H32 N O9 V -","- C116 H128 N4 O36 V4 -","4","1","","Mohammadnezhad, Gholamhossein; Akintola, Oluseun; Buchholz, Axel; Görls, Helmar; Plass, Winfried","Probing chirality of oxidovanadium(V) centers in complexes with tridentate sugar Schiff-base ligands: solid-state and solution behavior","New Journal of Chemistry","2019","","","","","10.1039/C9NJ02881A","","","0.71073","MoKα","","0.1038","0.0775","","","0.1372","0.1501","","","","","","1.26","","","","has coordinates","217227","2020-10-21","18:00:00",""
"7058678","4.9378","0.0003","10.8625","0.0006","31.1686","0.0018","90","","90","","90","","1671.79","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Compound1","","","- C16 H12 Cd N2 O9 S -","- C16 H12 Cd N2 O9 S -","- C64 H48 Cd4 N8 O36 S4 -","4","1","","Kundu, Tanaya; Manna, Krishna; Jana, Ajay K.; Natarajan, Srinivasan","A luminescent inorganic‒organic hybrid, [Cd(C16H10N2O8S)(H2O)], for the selective and recyclable detection of chromates and dichromates in aqueous solution","New Journal of Chemistry","2019","43","33","13263","","10.1039/C9NJ03224J","","","0.71073","MoKα","","0.0435","0.0304","","","0.0598","0.0627","","","","","","1.024","","","","has coordinates","224759","2020-10-21","18:00:00",""
"7058681","4.7561","0.0005","12.104","0.0012","14.0172","0.0014","90","","90","","90","","806.94","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H4 N10 O2 -","- C3 H4 N10 O2 -","- C12 H16 N40 O8 -","4","1","","Zhang, Jichuan; Yin, Ping; Pan, Guangxing; Wang, Zhenyuan; Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean’ne M.","5-(4-Azidofurazan-3-yl)-1-hydroxytetrazole and its derivatives: from green primary to secondary explosives","New Journal of Chemistry","2019","43","32","12684","","10.1039/C9NJ03306H","","","0.71073","MoKα","","0.0262","0.024","","","0.0588","0.0602","","","","","","0.947","","","","has coordinates","224736","2020-10-21","18:00:00",""
"7058724","6.7073","0.0004","8.8246","0.0007","18.6187","0.0012","90","","90","","90","","1102.03","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H2 N8 O10 -","- C4 H2 N8 O10 -","- C16 H8 N32 O40 -","4","1","","Xiong, Hualin; Yang, Hongwei; Cheng, Guangbin","3-Trinitromethyl-4-nitro-5-nitramine-1H-pyrazole: a high energy density oxidizer","New Journal of Chemistry","2019","43","35","13827","","10.1039/C9NJ02732G","","","0.71073","MoKα","","0.0589","0.0356","","","0.0634","0.0698","","","","","","1.041","","","","has coordinates","224951","2020-10-21","18:00:00",""
"7058760","16.1754","0.0012","6.0607","0.0004","12.2782","0.0009","90","","90","","90","","1203.68","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Bhattacharyya, Arghyadeep; Makhal, Subhash Chandra; Kumar Mandal, Sujoy; Guchhait, Nikhil","Exploring the hidden potential of a methoxy substituted HBT derivative as an efficient example of coupling of AIE and ESIPT processes and as an energy harvesting platform","New Journal of Chemistry","2019","43","38","15087","","10.1039/C9NJ03340H","","","0.71073","MoKα","","0.0397","0.0344","","","0.0854","0.0883","","","","","","1.012","","","","has coordinates","224989","2020-10-21","18:00:00",""
"7058770","5.9551","0.0014","16.121","0.004","17.821","0.004","90","","90","","90","","1710.9","0.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 S Se -","- C22 H16 S Se -","- C88 H64 S4 Se4 -","4","1","","Hayashi, Satoko; Uegaito, Manabu; Nishide, Taro; Tanaka, Eiichiro; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro; Minoura, Mao","Nature of the E⋯E′ interactions (E, E′ = O, S, Se, and Te) at naphthalene 1,8-positions with fine details of the structures: experimental and theoretical investigations","New Journal of Chemistry","2019","43","36","14224","","10.1039/C9NJ02198A","","","0.7107","MoKα","","0.0233","0.0223","","","0.0536","0.0542","","","","","","1.061","","","","has coordinates","224942","2020-10-21","18:00:00",""
"7058787","8.7718","0.0007","14.1478","0.0011","23.0016","0.0019","90","","90","","90","","2854.5","0.4","297","2","297.25","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Gd2 O16 -","- C15 H26 Gd2 O16 -","- C60 H104 Gd8 O64 -","4","1","","Kumar, Manesh; Qiu, Cheng-Qiang; Zaręba, Jan K.; Frontera, Antonio; Jassal, Amanpreet Kaur; Sahoo, Subash Chandra; Liu, Sui-Jun; Sheikh, Haq Nawaz","Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker","New Journal of Chemistry","2019","43","36","14546","","10.1039/C9NJ03664D","","","0.71073","MoKα","","0.0699","0.0545","","","0.1446","0.1526","","","","","","1.052","","","","has coordinates","224941","2020-10-21","18:00:00",""
"7058789","8.768","0.003","14.156","0.004","22.898","0.008","90","","90","","90","","2842.1","1.6","300","2","299.86","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 Eu2 O16 -","- C15 H26 Eu2 O16 -","- C60 H104 Eu8 O64 -","4","1","","Kumar, Manesh; Qiu, Cheng-Qiang; Zaręba, Jan K.; Frontera, Antonio; Jassal, Amanpreet Kaur; Sahoo, Subash Chandra; Liu, Sui-Jun; Sheikh, Haq Nawaz","Magnetic, luminescence, topological and theoretical studies of structurally diverse supramolecular lanthanide coordination polymers with flexible glutaric acid as a linker","New Journal of Chemistry","2019","43","36","14546","","10.1039/C9NJ03664D","","","0.71073","MoKα","","0.0536","0.048","","","0.1292","0.1341","","","","","","1.056","","","","has coordinates","224941","2020-10-21","18:00:00",""
"7058814","8.6581","0.0009","17.404","0.002","22.735","0.003","90","","90","","90","","3425.8","0.7","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 N2 O2 P2 Pt -","- C36 H46 N2 O2 P2 Pt -","- C144 H184 N8 O8 P8 Pt4 -","4","1","","Han, Young-Sung; Jung, Kang-Yeoun; Kim, Yong-Joo; Baeck, Kyoung Koo; Lee, Gang Min; Lee, Soon W.","Reactivities of zero-valent group 10 complexes toward organic isocyanates: synthesis of metallacycles containing dimeric isocyanate units, isocyanate cyclotrimerization, and computational chemistry","New Journal of Chemistry","2019","43","39","15614","","10.1039/C9NJ03332G","","","0.71073","MoKα","","0.053","0.0334","","","0.0527","0.0575","","","","","","1.051","","","","has coordinates,has disorder","224785","2020-10-21","18:00:00",""
"7058815","8.6475","0.0003","17.3751","0.0007","22.7043","0.001","90","","90","","90","","3411.3","0.2","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 N2 O2 P2 Pt -","- C36 H45.448 N2 O2 P2 Pt -","- C144 H181.792 N8 O8 P8 Pt4 -","4","1","","Han, Young-Sung; Jung, Kang-Yeoun; Kim, Yong-Joo; Baeck, Kyoung Koo; Lee, Gang Min; Lee, Soon W.","Reactivities of zero-valent group 10 complexes toward organic isocyanates: synthesis of metallacycles containing dimeric isocyanate units, isocyanate cyclotrimerization, and computational chemistry","New Journal of Chemistry","2019","43","39","15614","","10.1039/C9NJ03332G","","","0.71073","MoKα","","0.0514","0.0317","","","0.047","0.0518","","","","","","1.066","","","","has coordinates,has disorder","224785","2020-10-21","18:00:00",""
"7058841","6.3798","0.0004","9.9018","0.0007","26.2299","0.0019","90","","90","","90","","1657","0.2","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Cl0 N13 Na2 O10 -","- C5 H11 N13 Na2 O10 -","- C20 H44 N52 Na8 O40 -","4","1","","Zhu, Wangying; Ye, Zhiwen; Dong, Zhen","Nitramino-furazan-functionalized fused high-nitrogen backbones as energetic materials with high detonation performance and good molecular stabilities","New Journal of Chemistry","2019","43","41","16300","","10.1039/C9NJ03636A","","","1.34139","GaKα","","0.0683","0.0491","","","0.1138","0.1221","","","","","","1.005","","","","has coordinates","224733","2020-10-21","18:00:00",""
"7058870","8.5213","0.0007","9.9194","0.0006","24.5146","0.0017","90","","90","","90","","2072.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O2 -","- C23 H28 N2 O2 -","- C92 H112 N8 O8 -","4","1","","Du, Rongkai; Xu, Juan; Zhang, Lei; Ning, Lifeng; Li, Shan","Ethinyl estradiol cocrystals assembled by chain structures: improvement in stability and solubility","New Journal of Chemistry","2019","43","43","16889","","10.1039/C9NJ04147H","","x-ray","0.71073","MoKα","","0.087","0.0514","","","0.1001","0.1169","","","","","","1.018","","","","has coordinates","224768","2020-10-21","18:00:00",""
"7058872","9.3914","0.0007","13.6642","0.0008","19.2618","0.0009","90","","90","","90","","2471.8","0.3","173","6","173","6","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 N2 O2 -","- C30 H32 N2 O2 -","- C120 H128 N8 O8 -","4","1","","Du, Rongkai; Xu, Juan; Zhang, Lei; Ning, Lifeng; Li, Shan","Ethinyl estradiol cocrystals assembled by chain structures: improvement in stability and solubility","New Journal of Chemistry","2019","43","43","16889","","10.1039/C9NJ04147H","","x-ray","0.71073","MoKα","","0.0782","0.0515","","","0.1071","0.1208","","","","","","1.042","","","","has coordinates","224768","2020-10-21","18:00:00",""
"7058879","11.557","0.0003","22.167","0.0006","26.3618","0.0007","90","","90","","90","","6753.5","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","F-F12BsubPc","","","- C24 B F13 N6 -","- C24 B F13 N6 -","- C288 B12 F156 N72 -","12","3","","Bukuroshi, Esmeralda; Vestfrid, Jenya; Gross, Zeev; Bender, Timothy P.","Fluorinated boron subphthalocyanines: Lewis acid based templating chemistry facilitates random halide exchange, and fluoride versus chloride affects the basic photophysical properties and the solid-state arrangement","New Journal of Chemistry","2019","43","42","16730","","10.1039/C9NJ04093E","","","1.54178","CuKα","","0.0465","0.0358","","","0.0811","0.0875","","","","","","1.03","","","","has coordinates","224775","2020-10-21","18:00:00",""
"7058949","5.7191","0.0004","7.7483","0.0005","10.4586","0.0007","90","","90","","90","","463.46","0.05","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-amino-5-methyltetrazole","1-amino-5-methyltetrazole","","- C2 H5 N5 -","- C2 H5 N5 -","- C8 H20 N20 -","4","1","","Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin","Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03937F","","x-ray","0.71073","MoKα","","0.0436","0.0362","","","0.0853","0.0925","","","","","","1.055","","","","has coordinates","220352","2020-10-21","18:00:00",""
"7058970","10.6897","0.0004","15.7992","0.0005","18.4623","0.0006","90","","90","","90","","3118.07","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H52 N O2 P -","- C39 H52 N O2 P -","- C156 H208 N4 O8 P4 -","4","1","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","0.71073","MoKα","","0.0785","0.0547","","","0.1395","0.1525","","","","","","1.061","","","","has coordinates","223413","2020-10-21","18:00:00",""
"7058973","11.8372","0.0004","15.9591","0.0005","16.7437","0.0005","90","","90","","90","","3163.07","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 N O2 P -","- C38 H52 N O2 P -","- C152 H208 N4 O8 P4 -","4","1","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0387","0.0375","","","0.0956","0.0969","","","","","","1.043","","","","has coordinates","223413","2020-10-21","18:00:00",""
"7058974","10.359","0.002","11.81","0.002","25.612","0.009","90","","90","","90","","3133.4","1.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H45 Cl F O2 P Pd -","- C35 H45 Cl F O2 P Pd -","- C140 H180 Cl4 F4 O8 P4 Pd4 -","4","1","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0227","0.0214","","","0.0581","0.0651","","","","","","1.169","","","","has coordinates,has disorder","223413","2020-10-21","18:00:00",""
"7058975","7.4531","0.0013","16.561","0.006","22.022","0.007","90","","90","","90","","2718.2","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 O2 -","- C34 H42 O2 -","- C136 H168 O8 -","4","1","","Brüllingen, Eric; Neudörfl, Jörg-Martin; Goldfuss, Bernd","Ligand's electronegativity controls the sense of enantioselectivity in BIFOP-X palladium-catalyzed allylic alkylations","New Journal of Chemistry","2019","43","39","15743","","10.1039/C9NJ02798J","","","1.54178","CuKα","","0.0414","0.04","","","0.1051","0.1064","","","","","","1.074","","","","has coordinates","223413","2020-10-21","18:00:00",""
"7058994","9.7191","0.0003","23.1913","0.0009","24.733","0.0009","90","","90","","90","","5574.8","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C65 H41 Cd2 Cl27 N12 S20 -","- C65 H41 Cd2 Cl27 N12 S20 -","- C130 H82 Cd4 Cl54 N24 S40 -","2","0.5","","Bechu, Damien; Rogez, Guillaume; Hosseini, Mir Wais; Baudron, Stéphane A.","Tetrathiopyridyl-tetrathiafulvalene-based Cd(ii) coordination polymers: one ligand, one metal cation, many possibilities","New Journal of Chemistry","2019","43","36","14291","","10.1039/C9NJ03572A","","","0.71073","MoKα","","0.0605","0.055","","","0.1524","0.1601","","","","","","1.092","","","","has coordinates,has disorder","223417","2020-10-21","18:00:00",""
"7059002","7.0748","0.0004","8.1131","0.0004","16.9559","0.0009","90","","90","","90","","973.24","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N4 O2 -","- C10 H8 N4 O2 -","- C40 H32 N16 O8 -","4","1","","Eddahmi, Mohammed; Moura, Nuno M. M.; Bouissane, Latifa; Gamouh, Ahmed; Faustino, Maria A. F.; Cavaleiro, José A. S.; Paz, Filipe A. A.; Mendes, Ricardo F.; Lodeiro, Carlos; Santos, Sérgio M.; Neves, Maria G. P. M. S.; Rakib, El Mostapha","New nitroindazolylacetonitriles: efficient synthetic access via vicarious nucleophilic substitution and tautomeric switching mediated by anions","New Journal of Chemistry","2019","43","36","14355","","10.1039/C9NJ02807B","","","0.71073","MoKα","","0.0397","0.0357","","","0.0865","0.0894","","","","","","1.052","","","","has coordinates","223418","2020-10-21","18:00:00",""
"7059012","11.051","0.005","15.773","0.005","26.463","0.005","90","0.005","90","0.005","90","0.005","4613","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 Cl Co2 N4 O13 -","- C44 H40 Cl Co2 N4 O13 -","- C176 H160 Cl4 Co8 N16 O52 -","4","1","","Ganguly, Sayantan; Kar, Paramita; Chakraborty, Maharudra; Sarkar, Koushik; Ghosh, Ashutosh","Synthesis, structure and phenoxazinone synthase-like activity of three unprecedented alternating CoII‒CoIII 1D chains","New Journal of Chemistry","2019","","","","","10.1039/C9NJ03236C","","","0.71073","MoKα","","0.0968","0.0687","","","0.1851","0.2061","","","","","","1.013","","","","has coordinates,has disorder","223441","2020-10-21","18:00:00",""
"7059017","7.1519","0.0014","10.616","0.002","13.902","0.003","90","","90","","90","","1055.5","0.4","153","2","153.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 N5 O2 -","- C11 H7 N5 O2 -","- C44 H28 N20 O8 -","4","1","","Yang, Xiaoming; Lin, Xinyu; Wang, Yanna; Wang, Lin; Zhang, Weijing; Li, Zhimin; Zhang, Tonglai","TACOT Derived New Nitrogen Rich Energetic Compounds: Synthesis, Characterization and Properties","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04613E","","","0.71073","MoKα","","0.0551","0.0519","","","0.1215","0.1388","","","","","","1.183","","","","has coordinates","223444","2020-10-21","18:00:00",""
"7059018","4.5338","0.0009","12.919","0.003","16.167","0.003","90","","90","","90","","946.9","0.3","153","2","153.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 N5 -","- C11 H7 N5 -","- C44 H28 N20 -","4","1","","Yang, Xiaoming; Lin, Xinyu; Wang, Yanna; Wang, Lin; Zhang, Weijing; Li, Zhimin; Zhang, Tonglai","TACOT Derived New Nitrogen Rich Energetic Compounds: Synthesis, Characterization and Properties","New Journal of Chemistry","2019","","","","","10.1039/C9NJ04613E","","","0.71073","MoKα","","0.0528","0.048","","","0.1095","0.1129","","","","","","1.12","","","","has coordinates","223444","2020-10-21","18:00:00",""
"7059054","13.816","0.001","13.97","0.001","28.683","0.001","90","","90","","90","","5536.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H63 Cl7 N14 O32 -","- C27 H63 Cl7 N14 O32 -","- C108 H252 Cl28 N56 O128 -","4","1","","Pitarch-Jarque, Javier; Rissanen, Kari; Garcia-Granda, Santiago; Lopera, Alberto; Clares, Maria Paz; García-España, Enrique; Blasco, Salvador","Water and Oxoanion Encapsulation Chemistry in a 1H-Pyrazole azacryptand","New Journal of Chemistry","2019","","","","","10.1039/C9NJ05231C","","","0.71073","MoKα","","0.1542","0.0923","","","0.2567","0.2928","","","","","","1.04","","","","has coordinates","227935","2020-10-21","18:00:00",""
"7059118","7.5563","0.0003","9.6115","0.0005","23.9913","0.0011","90","","90","","90","","1742.43","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cl N O4 -","- C20 H22 Cl N O4 -","- C80 H88 Cl4 N4 O16 -","4","1","","Zhang, Yunan; Zhang, Dajun; Zhang, Yu; Liu, Lixin; Zhang, Xuesong; Zhang, Lei; Zhang, Yunjie; Chang, Liang; Fan, Qiushuang; Zhang, Yongbiao; Xi, Jiaming; Zhang, Qiang","Improving solubility and avoiding hygroscopicity of tetrahydroberberine by forming hydrochloride salts by introducing solvents: [HTHB]Cl, [HTHB]Cl·CH3OH and [HTHB]Cl·CH3COOH","New Journal of Chemistry","2017","41","22","13268","","10.1039/C7NJ02423A","","","0.71073","MoKα","","0.0496","0.0407","","","0.0884","0.0933","","","","","","1.036","","","","has coordinates","235716","2020-10-21","18:00:00",""
"7059168","13.4601","0.0005","14.6763","0.0005","28.7051","0.0009","90","","90","","90","","5670.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Fujita255-2","","","- C25.5 H28 Br2 N O12.5 -","- C25.5 H28 Br2 N O12.5 -","- C204 H224 Br16 N8 O100 -","8","2","","Fujita, Hikaru; Dou, Jinghuai; Matsumoto, Nobuyuki; Wu, Zhiyuan; Lindsey, Jonathan S.","Enzymatically triggered chromogenic cross-linking agents under physiological conditions","New Journal of Chemistry","2020","44","3","719","743","10.1039/C9NJ04126E","","","0.71073","MoKα","","0.038","0.0297","","","0.0604","0.0627","","","","","","1.024","","","","has coordinates","257899","2020-10-21","18:00:00",""
"7059169","13.3401","0.0008","14.3756","0.0009","28.9203","0.0019","90","","90","","90","","5546.1","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Fujita255-3","","","- C26 H30 Br N O12.5 -","- C26 H30 Br N O12.5 -","- C208 H240 Br8 N8 O100 -","8","2","","Fujita, Hikaru; Dou, Jinghuai; Matsumoto, Nobuyuki; Wu, Zhiyuan; Lindsey, Jonathan S.","Enzymatically triggered chromogenic cross-linking agents under physiological conditions","New Journal of Chemistry","2020","44","3","719","743","10.1039/C9NJ04126E","","","0.71073","MoKα","","0.0423","0.0324","","","0.0684","0.0712","","","","","","1.029","","","","has coordinates,has disorder","257899","2020-10-21","18:00:00",""
"7059186","5.25","0.006","15.787","0.019","20.19","0.02","90","","90","","90","","1673","3","200","2","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 O S -","- C25 H16 O S -","- C100 H64 O4 S4 -","4","1","","Melville, Owen A.; Grant, Trevor M.; Rice, Nicole A.; Wang, Bowen; Josse, Pierre; Lessard, Benoît H.","Functionalization of commercial pigment Hostasol Red GG for incorporation into organic thin-film transistors","New Journal of Chemistry","2020","44","3","845","851","10.1039/C9NJ04851K","","","0.71073","MoKα","","0.1696","0.0807","","","0.1747","0.237","","","","","","1.03","","","","has coordinates","257906","2020-10-21","18:00:00",""
"7059237","5.7019","0.0002","11.8123","0.0005","17.7316","0.0007","90","","90","","90","","1194.27","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Fe N O2 -","- C14 H15 Fe N O2 -","- C56 H60 Fe4 N4 O8 -","4","1","","Yadav, Reena; Singh, Suryabhan; Trivedi, Manoj; Kociok-Köhn, Gabriele; Rath, Nigam P.; Köhn, Randolf D.; Muddassir, Mohd.; Kumar, Abhinav","New main-group ferrocenyldithiocarbamates and conversion to ferrocene oxazolidine-2-thione and -2-one","New Journal of Chemistry","2020","44","8","3268","3277","10.1039/C9NJ06139H","","","0.71073","MoKα","","0.0281","0.0257","","","0.0609","0.0625","","","","","","1.027","","","","has coordinates,has disorder","257699","2020-10-21","18:00:00",""
"7059294","10.1147","0.0002","15.1214","0.0002","17.1572","0.0003","90","","90","","90","","2624.17","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl3 N3 O2 -","- C26 H30 Cl3 N3 O2 -","- C104 H120 Cl12 N12 O8 -","4","1","","Elamathi, C.; Fronczek, Frank R.; Madankumar, A.; Prabhakaran, R.","Synthesis and spectral characterizations of water soluble Cu(ii) complexes containing N-heterocyclic chelates: cell-proliferation, antioxidant and nucleic acid/serum albumin interactions","New Journal of Chemistry","2020","44","10","4158","4170","10.1039/C9NJ04136B","","","1.5418","CuKα","","0.0471","0.0407","","","0.1016","0.1071","","","","","","1.033","","","","has coordinates","257651","2020-10-21","18:00:00",""
"7059316","7.2036","0.0005","10.2696","0.0007","11.0023","0.0008","90","","90","","90","","813.93","0.1","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Copper glutamate","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","1","","Olawale, Margaret D.; Tella, Adedibu C.; Obaleye, Joshua A.; Olatunji, Juwon S.","Synthesis, characterization and crystal structure of a copper-glutamate metal organic framework (MOF) and its adsorptive removal of ciprofloxacin drug from aqueous solution","New Journal of Chemistry","2020","44","10","3961","3969","10.1039/D0NJ00515K","","","1.5418","CuKα","","0.017","0.017","","0.0174","0.0174","0.0173","","","","","","1.0563","","","","has coordinates","257655","2020-10-21","18:00:00",""
"7059349","21.2004","0.0002","15.0384","0.0002","7.2541","0.0001","90","","90","","90","","2312.75","0.05","300","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","iron Acetylpyridine pentacyanonitrosilferrates (II)","","- C19 Fe2 N8 O3 -","- C19 Fe2 N8 O3 -","- C76 Fe8 N32 O12 -","4","1","","Avila, Y.; Crespo, P. M.; Plasencia, Y.; Mojica, H. R.; Rodríguez-Hernández, J.; Reguera, E.","Thermally induced spin crossover in Fe(PyrDer)2[Fe(CN)5NO] with PyrDer = 4-substituted pyridine derivatives","New Journal of Chemistry","2020","44","15","5937","5946","10.1039/D0NJ00595A","","","","","","","","","","","","","","","","","","","","","has coordinates","257845","2020-10-21","18:00:00",""
"7059377","9.0848","0.0019","15.239","0.003","19.032","0.003","90","","90","","90","","2634.9","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Catena-[4,4'-((9H-fluoren-9-ylidene)methylene)dipyridine-Copper(I)]","","","- C30 H29 Cu N4 O2 -","- C30 H29 Cu N4 O2 -","- C120 H116 Cu4 N16 O8 -","4","1","","Zhang, Jinfang; Xia, Hongchen; Ren, Simeng; Jia, Wen; Zhang, Chi","Three AIE-ligand-based Cu(i) coordination polymers: synthesis, structures and luminescence sensing of TNP","New Journal of Chemistry","2020","44","14","5285","5292","10.1039/D0NJ00207K","","","0.71073","MoKα","","0.0663","0.0449","","","0.0928","0.1016","","","","","","1.018","","","","has coordinates","257814","2020-10-21","18:00:00",""
"7059397","5.7787","0.0006","8.8337","0.0008","20.223","0.002","90","","90","","90","","1032.33","0.18","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Boufroua, Naouel; Dunach, Elisabet; Fontaine-Vive, Fabien; Achouche-Bouzroura, Samia; Poulain-Martini, Sophie","In(OTf)3-catalysed easy access to dihydropyranocoumarin and dihydropyranochromone derivatives","New Journal of Chemistry","2020","44","15","6042","6052","10.1039/D0NJ00080A","","x-ray","0.71073","MoKα","","0.0538","0.0435","","","0.1006","0.1085","","","","","","1.102","","","","has coordinates,has disorder","257837","2020-10-21","18:00:00",""
"7059531","4.5172","0.0002","13.5286","0.0005","19.8833","0.0007","90","","90","","90","","1215.1","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3Z)-3-({[(ethylsulfanyl)methanethioyl]amino}imino)-2,3-dihydro-1<i>H</i>-indole-2-one","","- C11 H11 N3 O S2 -","- C11 H11 N3 O S2 -","- C44 H44 N12 O4 S8 -","4","1","","Yekke-ghasemi, Zahra; Ramezani, Mohammad; Mague, Joel T.; Takjoo, Reza","Synthesis, characterization and bioactivity studies of new dithiocarbazate complexes","New Journal of Chemistry","2020","44","21","8878","8889","10.1039/D0NJ01187H","","","1.54178","CuKα","","0.0473","0.0461","","","0.1162","0.1173","","","","","","1.094","","","","has coordinates","257865","2020-10-21","18:00:00",""
"7059547","8.8627","0.0005","20.0366","0.0016","23.0324","0.0014","90","","90","","90","","4090.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H45 N O9 -","- C45 H45 N O9 -","- C180 H180 N4 O36 -","4","1","","Dhankhar, Sandeep Singh; Nagaraja, C. M.","Construction of 3D lanthanide based MOFs with pores decorated with basic imidazole groups for selective capture and chemical fixation of CO2","New Journal of Chemistry","2020","44","21","9090","9096","10.1039/D0NJ01448F","","","1.54178","CuKα","","0.153","0.0642","","","0.0903","0.1137","","","","","","0.999","","","","has coordinates,has disorder","257870","2020-10-21","18:00:00",""
"7059565","11.1197","0.0002","12.5198","0.0002","12.704","0.0002","90","","90","","90","","1768.61","0.05","123.05","0.1","123.05","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Ag B2 F4 N P -","- C15 H21 Ag B2 F4 N P -","- C60 H84 Ag4 B8 F16 N4 P4 -","4","1","","Elsayed Moussa, Mehdi; Marquardt, Christian; Hegen, Oliver; Seidl, Michael; Scheer, Manfred","A new family of silver(i) complexes stabilised by the phosphanylborane (C6H5)2PBH2·N(CH3)3","New Journal of Chemistry","2021","45","33","14916","14919","10.1039/D0NJ01679A","","","1.54178","CuKα","","0.0371","0.0352","","","0.0895","0.0906","","","","","","1.0323","","","","has coordinates,has disorder","268879","2021-09-06","12:07:13",""
"7059603","6.4603","0.0008","10.1472","0.0009","10.7225","0.0012","90","","90","","90","","702.9","0.13","151.88","","151.88","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H3 N5 O5 -","- C3 H3 N5 O5 -","- C12 H12 N20 O20 -","4","1","","Yang, Rui; Dong, Zhen; Ye, Zhiwen","Exploration of low-melting energetic compounds: influence of substituents on melting points","New Journal of Chemistry","2020","44","32","13576","13583","10.1039/D0NJ01166E","","","0.71073","MoKα","","0.0467","0.0371","","","0.0827","0.0871","","","","","","1.054","","","","has coordinates","257680","2020-10-21","18:00:00",""
"7059641","5.3317","0.0001","10.0576","0.0003","30.0104","0.0008","90","","90","","90","","1609.28","0.07","100","","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 F N2 O4 -","- C14 H23 F N2 O4 -","- C56 H92 F4 N8 O16 -","4","1","","Liu, Song; Wu, Renbo; Sun, Yuli; Ploessl, Karl; Zhang, Yan; Liu, Yajing; Wu, Zehui; Zhu, Lin; Kung, Hank F.","Design, synthesis and evaluation of a novel glutamine derivative (2S,4R)-2-amino-4-cyano-4-[18F]fluorobutanoic acid","New Journal of Chemistry","2020","44","21","9109","9117","10.1039/D0NJ00410C","","","0.71073","MoKα","","0.028","0.0252","","","0.0595","0.0607","","","","","","1.093","","","","has coordinates","257863","2020-10-21","18:00:00",""
"7059642","5.9695","0.0002","10.9627","0.0003","36.0572","0.0011","90","","90","","90","","2359.65","0.12","100","","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O7 S -","- C21 H30 N2 O7 S -","- C84 H120 N8 O28 S4 -","4","1","","Liu, Song; Wu, Renbo; Sun, Yuli; Ploessl, Karl; Zhang, Yan; Liu, Yajing; Wu, Zehui; Zhu, Lin; Kung, Hank F.","Design, synthesis and evaluation of a novel glutamine derivative (2S,4R)-2-amino-4-cyano-4-[18F]fluorobutanoic acid","New Journal of Chemistry","2020","44","21","9109","9117","10.1039/D0NJ00410C","","","0.71073","MoKα","","0.0445","0.0391","","","0.0868","0.089","","","","","","1.185","","","","has coordinates","257863","2020-10-21","18:00:00",""
"7059855","8.9801","0.0011","10.0922","0.0012","14.8274","0.0019","90","","90","","90","","1343.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H22 B9 N S -","- C6 H22 B9 N S -","- C24 H88 B36 N4 S4 -","4","1","","Timofeev, Sergey V.; Prikaznova, Elena A.; Zhidkova, Olga B.; Druzina, Anna A.; Starikova, Zoya A.; Suponitsky, Kyrill Y.; Godovikov, Ivan A.; Sivaev, Igor B.; Bregadze, Vladimir I.","Tungsten carbonyl σ-complexes with C-thioethers based on 9-Me3N-7,8-C2B9H11","New Journal of Chemistry","2020","44","33","13934","13938","10.1039/D0NJ03212C","","","0.71073","MoKα","","0.0913","0.0547","","","0.1162","0.1321","","","","","","0.991","","","","has coordinates","257701","2020-10-21","18:00:00",""
"7059903","10.1302","0.0003","16.2436","0.0005","16.2491","0.0005","90","","90","","90","","2673.8","0.14","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H40 B18 Co N O2 -","- C13 H40 B18 Co N O2 -","- C52 H160 B72 Co4 N4 O8 -","4","1","","Bogdanova, Ekaterina V.; Stogniy, Marina Yu.; Chekulaeva, Lyubov A.; Anisimov, Aleksei A.; Suponitsky, Kyrill Yu.; Sivaev, Igor B.; Grin, Mikhail A.; Mironov, Andrey F.; Bregadze, Vladimir I.","Synthesis and reactivity of propionitrilium derivatives of cobalt and iron bis(dicarbollides)","New Journal of Chemistry","2020","44","37","15836","15848","10.1039/D0NJ03017A","","","0.71073","MoKα","","0.0489","0.0368","","","0.0835","0.0893","","","","","","1.062","","","","has coordinates","258889","2020-11-06","12:41:10",""
"7060003","7.0583","0.0005","8.7624","0.0006","22.0421","0.0014","90","","90","","90","","1363.25","0.16","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- Cl6 F H12 N5 O Pt Ru -","- Cl6 F H12 N5 O Pt Ru -","- Cl24 F4 H48 N20 O4 Pt4 Ru4 -","4","1","","Mikhailov, Artem A.; Komarov, Vladislav Yu.; Sukhikh, Aleksandr S.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.","The impact of counterion on the metastable state properties of nitrosyl ruthenium complexes","New Journal of Chemistry","2020","44","41","18014","18024","10.1039/D0NJ04436A","","","0.71073","MoKα","","0.0329","0.0251","","","0.034","0.0359","","","","","","1.056","","","","has coordinates","258899","2020-11-06","12:43:42",""
"7060029","8.5498","0.0002","12.3492","0.0004","16.6921","0.0005","90","","90","","90","","1762.41","0.09","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 F6 N S -","- C18 H15 F6 N S -","- C72 H60 F24 N4 S4 -","4","1","","Attanayake, N. Harsha; Kaur, Aman Preet; Suduwella, T. Malsha; Elliott, Corrine F.; Parkin, Sean R.; Odom, Susan A.","A stable, highly oxidizing radical cation","New Journal of Chemistry","2020","44","42","18138","18148","10.1039/D0NJ04434B","","","0.71073","MoKα","","0.0566","0.043","","","0.1049","0.1096","","","","","","1.069","","","","has coordinates,has disorder","258905","2020-11-06","12:44:51",""
"7060096","9.2747","0.0002","10.6749","0.0002","34.3002","0.0006","90","","90","","90","","3395.94","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 I N2 P Se2 -","- C36 H32 I N2 P Se2 -","- C144 H128 I4 N8 P4 Se8 -","4","1","","Huynh, Huu-Tri; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc","Chalcogen bonding interactions in chelating, chiral bis(selenocyanates)","New Journal of Chemistry","2021","45","1","76","84","10.1039/D0NJ05293K","","x-ray","0.71073","MoKα","","0.0437","0.0327","","","0.0671","0.07","","","","","","1.02","","","","has coordinates","261720","2021-02-04","23:24:36",""
"7060113","9.9716","0.0012","15.7329","0.0019","31.996","0.004","90","","90","","90","","5019.6","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[PMDPTA]2Pb3Br12","","- C22 H60 Br12 N6 Pb3 -","- C22 H60 Br12 N6 Pb3 -","- C88 H240 Br48 N24 Pb12 -","4","1","","Sun, Xing-Yu; Zhang, Wei-Feng; Pan, Hong-Mei; Ma, Yue-Yu; Jing, Zhi-Hong","Broadband yellow light emitting performance based on zero-dimensional hybrid lead bromide trimers","New Journal of Chemistry","2020","44","48","21146","21151","10.1039/D0NJ04686H","","","0.71073","MoKα","","0.0356","0.0284","","","0.0583","0.0607","","","","","","1.035","","","","has coordinates","260805","2021-01-07","06:48:45",""
"7060168","8.3488","0.0009","10.4603","0.0011","29.766","0.003","90","","90","","90","","2599.5","0.5","273","2","273.15","","","","","","","","organic synthesis","6","P 21 21 21","P 2ac 2ab","19","tricyclic compounds containing trihydro-quinoline","tricyclic compounds containing trihydro-quinoline","","- C28 H18 Cl3 F3 N2 O4 -","- C28 H18 Cl3 F3 N2 O4 -","- C112 H72 Cl12 F12 N8 O16 -","4","1","","Zhang, Xiao-Long; Feng, Kai-Xiang; Hu, Jian-Liang; Shen, Qiao-Yu; Huang, Wang-Sheng; Xia, Ai-Bao; Li, Chen; Xu, Dan-Qian","One-pot asymmetric synthesis of a hexahydrophenanthridine scaffold containing five stereocenters via an organocatalytic quadruple-cascade reaction","New Journal of Chemistry","2021","45","3","1168","1171","10.1039/D0NJ03946B","","","0.71073","MoKα","","0.0551","0.0367","","","0.0669","0.0727","","","","","","0.971","","","","has coordinates","261755","2021-02-04","23:29:41",""
"7060195","7.2969","0.0006","10.3968","0.0008","19.3079","0.0012","90","","90","","90","","1464.78","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O3 Sn -","- C15 H15 N O3 Sn -","- C60 H60 N4 O12 Sn4 -","4","1","","Vieriu, Sabina-Mădălina; Someşan, Adrian-Alexandru; Silvestru, Cristian; Licarete, Emilia; Banciu, Manuela; Varga, Richard A.","Synthesis, structural characterization and in vitro antiproliferative effects of novel organotin(iv) compounds with nicotinate and isonicotinate moieties on carcinoma cells","New Journal of Chemistry","2021","45","2","1020","1028","10.1039/D0NJ05069E","","","0.71073","MoKα","","0.0141","0.0136","","","0.0336","0.0339","","","","","","1.072","","","","has coordinates","261742","2021-02-04","23:28:03",""
"7060212","5.9263","0.0001","18.9112","0.0002","24.8642","0.0003","90","","90","","90","","2786.62","0.06","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 S2 -","- C18 H12 S2 -","- C144 H96 S16 -","8","2","","Li, Meijing; Zhang, Xinxin; Zhen, Shijie; Xu, Jingkun","Multichannel transport in conjugated polymers based on through-space conjugated naphthalene","New Journal of Chemistry","2021","45","4","1795","1799","10.1039/D0NJ05800A","","x-ray","1.54184","CuKα","","0.0576","0.0559","","","0.1674","0.1695","","","","","","1.108","","","","has coordinates,has disorder","261732","2021-02-04","23:26:17",""
"7060277","5.2488","0.0008","13.9673","0.0014","14.1051","0.0018","90","","90","","90","","1034.1","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H6 N10 O3 -","- C5 H6 N10 O3 -","- C20 H24 N40 O12 -","4","1","","Gettings, Matthew L.; Byrd, Edward F. C.; Zeller, Matthias; Piercey, Davin","Methyl sydnone imine and its energetic salts","New Journal of Chemistry","2021","45","4","2228","2236","10.1039/D0NJ05354F","","","0.71073","MoKα","","0.0655","0.0401","","","0.0863","0.0967","","","","","","1.013","","","","has coordinates","261737","2021-02-04","23:27:16",""
"7060336","10.537","0.002","12.969","0.003","16.378","0.004","90","","90","","90","","2238.1","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Co F8 N2 -","- C24 H21 Co F8 N2 -","- C96 H84 Co4 F32 N8 -","4","1","","Ertler, Daniel; Kuntze-Fechner, Maximilian W.; Dürr, Simon; Lubitz, Katharina; Radius, Udo","C‒F bond activation of perfluorinated arenes using NHC-stabilized cobalt half-sandwich complexes","New Journal of Chemistry","2021","45","33","14999","15016","10.1039/D0NJ06137A","","","0.71073","MoKα","","0.0354","0.0317","","","0.0756","0.0798","","","","","","0.945","","","","has coordinates","268869","2021-09-06","12:03:43",""
"7060343","7.9107","0.0016","12.229","0.002","30.953","0.006","90","","90","","90","","2994.4","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 O7 Pd2 S2 -","- C31 H26 N2 O7 Pd2 S2 -","- C124 H104 N8 O28 Pd8 S8 -","4","1","","Loni, Masood; Balmohammadi, Yaser; Dadgar Yeganeh, Reza; Imani, Kaveh; Notash, Behrouz; Bazgir, Ayoob","A case study of Pd⋯Pd intramolecular interaction in a benzothiazole based palladacycle; catalytic activity toward amide synthesis via an isocyanide insertion pathway","New Journal of Chemistry","2021","45","6","3290","3297","10.1039/D0NJ06301K","","","0.71073","MoKα","","0.0897","0.0595","","","0.1257","0.1473","","","","","","0.96","","","","has coordinates","262693","2021-03-05","02:19:44",""
"7060396","11.7931","0.0006","14.9063","0.0007","16.3539","0.0009","90","","90","","90","","2874.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 N3 O2 -","- C36 H33 N3 O2 -","- C144 H132 N12 O8 -","4","1","","Ye, Rong; Sun, Jing; Han, Ying; Yan, Chao-Guo","Molecular diversity of TEMPO-mediated cycloaddition of ketohydrazones and 3-phenacylideneoxindoles","New Journal of Chemistry","2021","45","11","5075","5080","10.1039/D0NJ06036D","","","0.71073","MoKα","","0.0927","0.0578","","","0.1307","0.149","","","","","","1.016","","","","has coordinates,has disorder","263810","2021-04-05","15:11:32",""
"7060581","5.5309","0.0001","15.5653","0.0003","27.3771","0.0005","90","","90","","90","","2356.9","0.08","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Cl2 N O3 -","- C28 H20 Cl2 N O3 -","- C112 H80 Cl8 N4 O12 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.54178","CuKα","","0.071","0.0599","","","0.1446","0.1625","","","","","","1.042","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060591","9.5988","0.0011","9.848","0.0012","19.5275","0.0019","90","","90","","90","","1845.9","0.4","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0422","0.035","","","0.0827","0.0917","","","","","","1.089","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060594","16.5236","0.0001","19.3475","0.0001","31.8128","0.0002","90","","90","","90","","10170.2","0.1","169.98","0.13","169.98","0.13","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C112 H106 Cl4 Fe2 N6 -","- C112 H106 Cl4 Fe2 N6 -","- C448 H424 Cl16 Fe8 N24 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","1.54184","CuKα","","0.0377","0.0311","","","0.0747","0.0818","","","","","","1.041","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7060595","7.078","0.0003","14.5585","0.0005","20.136","0.0008","90","","90","","90","","2074.92","0.14","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br N4 O4 Pd -","- C21 H21 Br N4 O4 Pd -","- C84 H84 Br4 N16 O16 Pd4 -","4","1","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0377","0.0279","","","0.0508","0.0533","","","","","","1.043","","","","has coordinates,has disorder","266137","2021-06-05","19:20:48",""
"7060609","13.4285","0.0007","15.7599","0.0009","16.4621","0.0009","90","","90","","90","","3483.9","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 Cl5 O6 Pt2 S2 -","- C31 H27 Cl5 O6 Pt2 S2 -","- C124 H108 Cl20 O24 Pt8 S8 -","4","1","","Dutta, Pradip; Kumari, Smita; Paulraj, Justin; Sharma, Rupali; Vijaykumar, Gonela; Sankar Das, Hari; P, Sreejyothi; Sil, Swagata; Mandal, Swadhin K.; Sengupta, Aniruddha; Sarkar, Arindam","Phenalenyl based platinum anticancer compounds with superior efficacy: design, synthesis, characterization, and interaction with nuclear DNA","New Journal of Chemistry","2021","45","23","10524","10533","10.1039/D0NJ06229D","","","0.71073","MoKα","","0.069","0.0408","","","0.0799","0.0897","","","","","","1.069","","","","has coordinates","267223","2021-07-05","18:06:28",""
"7060612","10.2751","0.0014","22.028","0.002","41.384","0.007","90","","90","","90","","9367","2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H56 O8 Si8 -","- C36 H56 O8 Si8 -","- C288 H448 O64 Si64 -","8","2","","Kholodkov, Dmitry N.; Eremchuk, Kseniia I.; Soldatkin, Yuri V.; Volodin, Alexander D.; Korlyukov, Alexander A.; Anisimov, Anton A.; Novikov, Roman A.; Arzumanyan, Ashot V.","Stereoregular cyclic p-tolyl-siloxanes with alkyl, O- and N-containing groups as promising reagents for the synthesis of functionalized organosiloxanes","New Journal of Chemistry","2021","45","22","9805","9810","10.1039/D1NJ01222C","","","0.71073","MoKα","","0.1305","0.0831","","","0.1705","0.189","","","","","","1.055","","","","has coordinates,has disorder","267214","2021-07-05","18:04:31",""
"7060707","9.9695","0.0004","10.0137","0.0003","21.4431","0.0007","90","","90","","90","","2140.7","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cl N3 Ni O2 -","- C22 H26 Cl N3 Ni O2 -","- C88 H104 Cl4 N12 Ni4 O8 -","4","1","","Jagtap, Rahul A.; Ankade, Shidheshwar B.; Gonnade, Rajesh G.; Punji, Benudhar","Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones","New Journal of Chemistry","2021","45","27","11927","11936","10.1039/D1NJ01698A","","","0.71073","MoKα","","0.0338","0.0264","","","0.0557","0.0585","","","","","","1.036","","","","has coordinates","268858","2021-09-06","12:01:18",""
"7060708","9.7315","0.0003","9.8437","0.0003","21.184","0.0007","90","","90","","90","","2029.3","0.11","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 Cl N3 Ni O2 -","- C19 H28 Cl N3 Ni O2 -","- C76 H112 Cl4 N12 Ni4 O8 -","4","1","","Jagtap, Rahul A.; Ankade, Shidheshwar B.; Gonnade, Rajesh G.; Punji, Benudhar","Achiral and chiral NNN-pincer nickel complexes with oxazolinyl backbones: application in transfer hydrogenation of ketones","New Journal of Chemistry","2021","45","27","11927","11936","10.1039/D1NJ01698A","","","0.71073","MoKα","","0.0193","0.0187","","","0.0481","0.0483","","","","","","1.03","","","","has coordinates,has disorder","268858","2021-09-06","12:01:18",""
"7060714","8.14933","0.00008","10.51816","0.00009","36.3202","0.0003","90","","90","","90","","3113.22","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F3 N2 O -","- C17 H15 F3 N2 O -","- C136 H120 F24 N16 O8 -","8","2","","Accorsi, Gianluca; Capodilupo, Agostina-Lina; Claramunt, Rosa María; Clarkson, Guy J.; Farrán, A.; Gatti, Francesco G.; León, Salvador; Venturi, Silvia","Studies of novel trifluoroacetylated diaryl hydrazone molecular photoswitches in solution and in the solid state","New Journal of Chemistry","2021","45","28","12471","12478","10.1039/D1NJ01677F","","x-ray","1.54184","CuKα","","0.0278","0.0267","","","0.0688","0.0697","","","","","","1.054","","","","has coordinates","268841","2021-09-06","11:58:41",""
"7060746","12.9665","0.0012","12.9771","0.0012","30.056","0.003","90","","90","","90","","5057.4","0.8","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H51 Cl2 N2 O4 Sm -","- C47 H53 Cl2 N2 O4 Sm -","- C188 H212 Cl8 N8 O16 Sm4 -","4","1","","Cheng, Jun; Lu, Chengrong; Zhao, Bei","Cycloaddition of carbon dioxide and epoxides catalyzed by rare earth metal complexes bearing a Trost ligand","New Journal of Chemistry","2021","45","29","13096","13103","10.1039/D1NJ02460D","","","0.71073","MoKα","","0.1485","0.1025","","","0.2417","0.2686","","","","","","1.037","","","","has coordinates","268833","2021-09-06","11:57:01",""
"7060785","10.4385","0.0009","11.3473","0.0009","14.6522","0.0012","90","","90","","90","","1735.5","0.2","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 F6 N3 P -","- C13 H24 F6 N3 P -","- C52 H96 F24 N12 P4 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.032","0.0276","","","0.0665","0.0688","","","","","","1.034","","","","has coordinates","268883","2021-09-06","12:08:19",""
"7060787","7.6928","0.0014","17.17","0.003","20.59","0.004","90","","90","","90","","2719.6","0.9","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Cl4 N4 O2 -","- C22 H36 Cl4 N4 O2 -","- C88 H144 Cl16 N16 O8 -","4","1","","Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.","Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines","New Journal of Chemistry","2021","45","30","13558","13570","10.1039/D1NJ02298A","","","0.71073","MoKα","","0.0728","0.0441","","","0.0811","0.0912","","","","","","1.007","","","","has coordinates","268883","2021-09-06","12:08:19",""
"7060798","7.003","0.003","15.272","0.006","21.223","0.008","90","","90","","90","","2269.8","1.6","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Jiao, Luzhen; Cao, Guorui; Teng, Dawei","Ag(i)/(S,S)-ip-FOXAP catalyzed diastereo- and enantioselective 1,3-dipolar cycloaddition of azomethine ylides with benzosultam-3-ylidenes","New Journal of Chemistry","2021","45","32","14401","14405","10.1039/D1NJ01284C","","","0.71073","MoKα","","0.0594","0.054","","","0.1177","0.1217","","","","","","1.077","","","","has coordinates","268861","2021-09-06","12:01:46",""
"7060808","21.691","0.003","14.305","0.003","10.6099","0.0014","90","","90","","90","","3292.1","0.9","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1E,4E-1-(4-fluorophenyl)-5-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-one","","- C20 H23 F O -","- C20 H23 F O -","- C160 H184 F8 O8 -","8","2","","Custodio, Jean M. F.; Vaz, Wesley F.; Bernardes, Aline; Moura, Andrea F.; Oliver, Allen G.; Molnár, Szilárd; Perjési, Pál; Noda-Perez, Caridad","Alternative mechanisms of action for the apoptotic activity of terpenoid-like chalcone derivatives","New Journal of Chemistry","2021","45","34","15267","15279","10.1039/D1NJ02086B","","","0.71073","MoKα","","0.0815","0.0458","","","0.0894","0.101","","","","","","1.026","","","","has coordinates,has disorder","268900","2021-09-06","12:15:13",""
"7060865","11.1457","0.0002","19.5658","0.0003","12.5717","0.0002","90","","90","","90","","2741.57","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C112 H168 N8 O32 -","8","2","","Fraňová, Paula; Marchalín, Štefan; Šafář, Peter; Cvečko, Matej; Moncol, Ján; Žídeková, Ivana; Othman, Mohamed; Daïch, Adam","Smart and concise entry to chiral spiro[cyclopentane-indolizidine]-tetraol diastereomers as a new aza-spirocyclic framework","New Journal of Chemistry","2021","45","35","15956","15967","10.1039/D1NJ02180J","","","1.54186","CuKα","","0.0359","0.0336","","","0.0843","0.0861","","","","","","1.027","","","","has coordinates","269753","2021-10-06","16:03:10",""
"7060870","7.4983","0.0001","7.8011","0.0002","21.5964","0.0003","90","","90","","90","","1263.28","0.04","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N S Se -","- C12 H10 Br N S Se -","- C48 H40 Br4 N4 S4 Se4 -","4","1","","Farran, Daniel; Vanthuyne, Nicolas; Bossa, Giulia; Belot, Vincent; Albalat, Muriel; Jean, Marion; Roussel, Christian","Slight structural modulation around a pivotal bond: high impact on enantiomeric stability","New Journal of Chemistry","2021","45","35","16039","16047","10.1039/D1NJ03178C","","x-ray","1.54184","CuKα","","0.0257","0.0243","","","0.0611","0.0621","","","","","","1.072","","","","has coordinates","269752","2021-10-06","16:03:03",""
"7060871","7.39679","0.00007","7.70635","0.00007","21.7345","0.0002","90","","90","","90","","1238.92","0.02","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br N S2 -","- C12 H10 Br N S2 -","- C48 H40 Br4 N4 S8 -","4","1","","Farran, Daniel; Vanthuyne, Nicolas; Bossa, Giulia; Belot, Vincent; Albalat, Muriel; Jean, Marion; Roussel, Christian","Slight structural modulation around a pivotal bond: high impact on enantiomeric stability","New Journal of Chemistry","2021","45","35","16039","16047","10.1039/D1NJ03178C","","x-ray","1.54184","CuKα","","0.021","0.0208","","","0.0546","0.0548","","","","","","1.095","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7060924","9.7872","0.0005","12.8584","0.0005","20.2069","0.0009","90","","90","","90","","2543","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Fe N2 O -","- C14 H16 Fe N2 O -","- C112 H128 Fe8 N16 O8 -","8","2","","Kozáček, Pavel; Dostál, Libor; Hejda, Martin; Mikysek, Tomáš; R°užička, Aleš; Erben, Milan","Synthesis and properties of 1,2,3-diazapnictol-5-yl substituted ferrocenes","New Journal of Chemistry","2021","45","38","18171","18182","10.1039/D1NJ02666F","","","0.71073","MoKα","","0.0573","0.0392","","","0.0636","0.0674","","","","","","0.981","","","","has coordinates","269765","2021-10-06","16:06:04",""
"7061019","9.0522","0.0005","13.559","0.0007","16.6684","0.0009","90","","90","","90","","2045.86","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F N O3 -","- C23 H24 F N O3 -","- C92 H96 F4 N4 O12 -","4","1","","Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo","A combined structural and computational investigation of aminobenzylnaphthol compounds derived from the Betti reaction using valine methyl ester","New Journal of Chemistry","2021","45","44","20735","20742","10.1039/D1NJ03538J","","","0.71073","MoKα","","0.0538","0.0403","","","0.0943","0.1007","","","","","","1.03","","","","has coordinates","271187","2021-12-07","03:38:20",""
"7061039","11.8475","0.00001","13.5471","0.00001","15.2567","0.000014","90","","90","","90","","2448.69","0.004","100","","100","","","","100","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","(-)-3l (major)","ethyl (3R,3'S,4'S,5'S)-1-benzyl-3'-cyano-2-oxo-4'-phenyl-5'-(trifluoromethyl)spiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C29 H24 F3 N3 O3 -","- C29 H24 F3 N3 O3 -","- C116 H96 F12 N12 O12 -","4","1","","Duffy, Conor; Roe, William E.; Harkin, Aislinn M.; McNamee, Ryan; Knipe, Peter C.","Enantioselective organocatalytic formal [3+2]-cycloaddition of isatin-derived ketimines with benzylidenemalononitriles and benzylidineindanones","New Journal of Chemistry","2021","45","47","22034","22038","10.1039/D1NJ04002B","","","1.5418","CuKα","","0.0258","0.0255","","0.0642","0.0639","0.0642","","","","","","0.936","","","","has coordinates","271855","2022-01-06","21:46:22",""
"7061060","10.0708","0.0007","11.9149","0.0008","15.6475","0.0011","90","","90","","90","","1877.6","0.2","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Mn N4 O3 P S2 -","- C16 H16 Mn N4 O3 P S2 -","- C64 H64 Mn4 N16 O12 P4 S8 -","4","1","","Kaim, Vishakha; Kaur-Ghumaan, Sandeep","Mononuclear Mn complexes featuring N,S-/N,N-donor and 1,3,5-triaza-7-phosphaadamantane ligands: synthesis and electrocatalytic properties","New Journal of Chemistry","2021","45","43","20272","20279","10.1039/D1NJ02104D","","x-ray","0.71073","MoKα","","0.0536","0.0503","","","0.1255","0.1276","","","","","","1.08","","","","has coordinates","270557","2021-11-10","01:41:01",""
"7061069","7.4497","0.0002","15.2211","0.0005","19.6694","0.0006","90","","90","","90","","2230.36","0.12","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O3 -","- C25 H30 N2 O3 -","- C100 H120 N8 O12 -","4","1","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.0519","0.0417","","","0.0888","0.1042","","","","","","1.17","","","","has coordinates","271866","2022-01-06","21:48:06",""
"7061071","7.7346","0.0006","14.3407","0.0009","39.815","0.003","90","","90","","90","","4416.3","0.6","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O3 -","- C25 H30 N2 O3 -","- C200 H240 N16 O24 -","8","2","","Dayaker, Gandrath; Erb, William; Hedidi, Madani; Chevallier, Floris; Blot, Marielle; Gros, Philippe C.; Hilmersson, Göran; Roisnel, Thierry; Dorcet, Vincent; Bentabed-Ababsa, Ghenia; Mongin, Florence","Enantioselective deprotometalation of alkyl ferrocenecarboxylates using bimetallic bases","New Journal of Chemistry","2021","45","48","22579","22590","10.1039/D1NJ04526A","","x-ray","0.71073","MoKα","","0.0639","0.045","","","0.0915","0.1004","","","","","","0.995","","","","has coordinates","271866","2022-01-06","21:48:07",""
"7061094","10.1489","0.0004","12.9048","0.0004","19.8932","0.0008","90","","90","","90","","2605.4","0.17","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Cl N3 P -","- C25 H31 Cl N3 P -","- C100 H124 Cl4 N12 P4 -","4","1","","Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr","Coordination behaviour of a hybrid phosphinoguanidine ligand","New Journal of Chemistry","2022","46","3","1060","1071","10.1039/D1NJ05237C","","","0.71073","MoKα","","0.0257","0.0242","","","0.059","0.0599","","","","","","1.063","","","","has coordinates","272748","2022-02-04","19:58:39",""
"7061162","10.2753","0.0013","15.0618","0.0019","19.894","0.003","90","","90","","90","","3078.9","0.7","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 O14 -","- C34 H36 O14 -","- C136 H144 O56 -","4","1","","Ozakai, Chiharu; Kitamura, Kei; Horikawa, Mitsuyo; Hoshiyama, To-sho; Imamura, Akari; Yoneyama, Tatsuro; Umeyama, Akemi; Noji, Masaaki; Tsunoda, Tetsuto; Kaku, Hiroto","Strong acid-promoted skeletal remodeling of the aphid pigment: red uroleuconaphin to green viridaphin","New Journal of Chemistry","2022","46","6","2600","2604","10.1039/D1NJ05261F","","","0.71073","MoKα","","0.0639","0.0459","","","0.0945","0.103","","","","","","1.009","","","","has coordinates","273391","2022-03-04","22:19:45",""
"7061163","7.6958","0.0002","8.1833","0.0002","20.4464","0.0005","90","","90","","90","","1287.65","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-(2-(2-(methoxymethyl)pyrrolidin-1-yl)-2H-inden-2-yl)lithium","","- C15 H18 Li N O -","- C15 H18 Li N O -","- C60 H72 Li4 N4 O4 -","4","1","","Rufanov, Konstantin A.; Titov, Ilya Yu.; Lemenovskii, Dmitry A.; Krut’ko, Dmitry P.; Churakov, Andrei V.","Novel approach for the synthesis of chiral organometallic complexes – first series of lithium 2-amino-indenide ligands bearing pendant donor groups and a unique helical bent-zirconocene","New Journal of Chemistry","2022","46","3","1409","1415","10.1039/D1NJ05094J","","","0.71073","MoKα","","0.1049","0.0599","","","0.1216","0.1423","","","","","","1.015","","","","has coordinates","288183","2023-12-08","14:43:00",""
"7061186","12.8204","0.0011","13.6719","0.0011","13.672","","90","","90","","90","","2396.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Li4 N2 O10 -","- C22 H22 Li4 N2 O10 -","- C88 H88 Li16 N8 O40 -","4","1","","Han, Xiang; Wu, Tiantian; Gu, Lanhui; Tian, Dan","A Li-based MOF-derived multifunctional PEO polymer solid-state electrolyte for lithium energy storage","New Journal of Chemistry","2022","46","8","3747","3753","10.1039/D1NJ05199G","","","0.71073","MoKα","","0.1072","0.0978","","","0.2936","0.3115","","","","","","1.341","","","","has coordinates","273387","2022-03-04","22:18:45",""
"7061193","6.623","0.0013","12.839","0.003","13.282","0.003","90","","90","","90","","1129.4","0.4","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 N8 O6 Sr -","- C3 H10 N8 O6 Sr -","- C12 H40 N32 O24 Sr4 -","4","1","","Li, Haibo; Wang, Yanna; Wei, Zhenghe; Xia, Lianghong; Li, Zhimin; Zhang, Tonglai","Alkaline metal and alkaline earth metal salts of di(1H-tetrazol-5-yl)methanone (DTO): energetic catalysts for ammonium perchlorate decomposition","New Journal of Chemistry","2022","46","9","4462","4469","10.1039/D1NJ04594F","","","0.71073","MoKα","","0.032","0.0312","","","0.0726","0.0732","","","","","","1.073","","","","has coordinates","273402","2022-03-04","22:21:12",""
"7061234","7.3138","0.0002","11.8378","0.0003","19.4817","0.0005","90","","90","","90","","1686.71","0.08","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cl N4 Pd S -","- C16 H17 Cl N4 Pd S -","- C64 H68 Cl4 N16 Pd4 S4 -","4","1","","Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P.","Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)]","New Journal of Chemistry","2022","46","6","2722","2729","10.1039/D1NJ05564J","","","0.71073","MoKα","","0.0421","0.0296","","","0.0629","0.0685","","","","","","0.978","","","","has coordinates","273389","2022-03-04","22:19:26",""
"7061265","7.543","0.0004","8.7848","0.0005","27.6566","0.0016","90","","90","","90","","1832.63","0.18","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Fe N2 O -","- C20 H26 Fe N2 O -","- C80 H104 Fe4 N8 O4 -","4","1","","Celedón, Salvador; Hamon, Paul; Artigas, Vania; Fuentealba, Mauricio; Kahlal, Samia; Carrillo, David; Saillard, Jean-Yves; Hamon, Jean-René; Manzur, Carolina","Ferrocene functionalized enantiomerically pure Schiff bases and their Zn(ii) and Pd(ii) complexes: a spectroscopic, crystallographic, electrochemical and computational investigation","New Journal of Chemistry","2022","46","8","3948","3960","10.1039/D1NJ06106B","","","0.71073","MoKα","","0.0553","0.036","","","0.0706","0.0768","","","","","","1.062","","","","has coordinates","273381","2022-03-04","22:17:41",""
"7061266","10.2197","0.0006","10.3087","0.0005","25.1548","0.0012","90","","90","","90","","2650.1","0.2","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 Fe N2 O3 -","- C28 H36 Fe N2 O3 -","- C112 H144 Fe4 N8 O12 -","4","1","","Celedón, Salvador; Hamon, Paul; Artigas, Vania; Fuentealba, Mauricio; Kahlal, Samia; Carrillo, David; Saillard, Jean-Yves; Hamon, Jean-René; Manzur, Carolina","Ferrocene functionalized enantiomerically pure Schiff bases and their Zn(ii) and Pd(ii) complexes: a spectroscopic, crystallographic, electrochemical and computational investigation","New Journal of Chemistry","2022","46","8","3948","3960","10.1039/D1NJ06106B","","","0.71073","MoKα","","0.0474","0.0378","","","0.0976","0.1036","","","","","","1.078","","","","has coordinates,has disorder","273381","2022-03-04","22:17:42",""
"7061272","12.8","0.002","13.044","0.002","28.611","0.005","90","","90","","90","","4777","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(8-methyl-phenylimidazo[1,2-a]pyridin-3-yl)disulfane","","- C28 H22 N4 S2 -","- C28 H22 N4 S2 -","- C224 H176 N32 S16 -","8","2","","Reddy, Raju Jannapu; Shankar, Angothu; Kumar, Jangam Jagadesh; Sharadha, Nunavath; Krishna, Gamidi Rama","Diethyl phosphite-mediated switchable synthesis of bis(imidazoheterocycles) derived disulfanes and sulfanes using imidazoheterocycles and octasulfur","New Journal of Chemistry","2022","46","10","4784","4791","10.1039/D1NJ05226H","","","0.71073","MoKα","","0.0561","0.0559","","","0.1501","0.1503","","","","","","1.263","","","","has coordinates","275006","2022-05-05","20:42:23",""
"7061326","10.656","0.002","17.374","0.003","20.131","0.004","90","","90","","90","","3727","1.2","291.15","","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H32 Cu I N2 P2 -","- C43 H32 Cu I N2 P2 -","- C172 H128 Cu4 I4 N8 P8 -","4","1","","Yin, Xiaolin; Liu, Chunmei; Liu, Shuang; Cao, Mengmeng; Rawson, Jeremy M.; Xu, Yan; Zhang, Bin","Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions","New Journal of Chemistry","2022","46","13","6185","6192","10.1039/D2NJ00318J","","","0.71073","MoKα","","0.033","0.0234","","","0.0467","0.0498","","","","","","1.0554","","","","has coordinates","275020","2022-05-05","20:44:48",""
"7061327","10.6373","0.0018","17.157","0.003","19.959","0.003","90","","90","","90","","3642.6","1","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H32 Br Cu N2 P2 -","- C43 H32 Br Cu N2 P2 -","- C172 H128 Br4 Cu4 N8 P8 -","4","1","","Yin, Xiaolin; Liu, Chunmei; Liu, Shuang; Cao, Mengmeng; Rawson, Jeremy M.; Xu, Yan; Zhang, Bin","Structural characterization and luminescence properties of trigonal Cu(i) iodine/bromine complexes comprising cation–π interactions","New Journal of Chemistry","2022","46","13","6185","6192","10.1039/D2NJ00318J","","","0.71073","MoKα","","0.0527","0.0305","","","0.06","0.0657","","","","","","1.022","","","","has coordinates","275020","2022-05-05","20:44:48",""
"7061367","8.7467","0.0004","11.3654","0.0005","17.6409","0.0009","90","","90","","90","","1753.68","0.14","300","","300","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H20 Cl5 N2 O2 Sb -","- C8 H20 Cl5 N2 O2 Sb -","- C32 H80 Cl20 N8 O8 Sb4 -","4","1","","Zhuang, Jia-Chang; Tan, Yui-Hui; Fan, Xiao-Wei; Tang, Yun-Zhi; Song, Ning; Zhang, Yi-Hua; Zhang, Hao; Chen, Shao-Peng","A 1D chiral infinite chain organic metal halide hybrid with excellent SHG switching and moderate spontaneous polarization","New Journal of Chemistry","2022","46","15","7103","7107","10.1039/D2NJ00303A","","","0.71073","MoKα","","0.1032","0.0877","","","0.2589","0.2891","","","","","","1.153","","","","has coordinates","275029","2022-05-05","20:46:39",""
"7061451","7.4363","0.0004","14.1125","0.0009","14.224","0.0009","90","","90","","90","","1492.73","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Liu, Min; Li, Wenzhe; Huang, Min; Yan, Yingkun; Li, Min; Cao, Lianyi; Zhang, Xiaomei","Enantioselective intramolecular Pictet–Spengler type annulation of indole-linked 3-methyleneisoindolin-1-ones","New Journal of Chemistry","2022","46","20","9582","9586","10.1039/D2NJ00517D","","x-ray","1.54184","CuKα","","0.0607","0.0496","","","0.1201","0.1301","","","","","","1.021","","","","has coordinates","275799","2022-06-06","01:53:57",""
"7061455","13.8637","0.0012","24.798","0.002","26.122","0.002","90","","90","","90","","8980.5","1.3","150","2","150.15","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C90 H73 Ag Br Cl Cu N5 O10 P4 -","- C90 H65 Ag Br Cl Cu N5 O6 P4 -","- C360 H260 Ag4 Br4 Cl4 Cu4 N20 O24 P16 -","4","1","","Wu, Zhan; Cui, Shu; Zhao, Zhenqin; He, Bingling; Li, Xiu-Ling","Photophysical properties of homobimetallic Cu(i)–Cu(i) and heterobimetallic Cu(i)–Ag(i) complexes of 2-(6-bromo-2-pyridyl)-1H-imidazo[4,5-f][1,10]phenanthroline","New Journal of Chemistry","2022","46","18","8881","8891","10.1039/D2NJ00774F","","","0.71073","MoKα","","0.0361","0.0315","","","0.0707","0.0725","","","","","","1.038","","","","has coordinates","275806","2022-06-06","01:56:33",""
"7061494","6.7765","0.001","16.086","0.002","16.129","0.002","90","","90","","90","","1758.2","0.4","296","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O Se2 -","- C18 H17 N3 O Se2 -","- C72 H68 N12 O4 Se8 -","4","1","","Banerjee, Kaustav; Bhattacherjee, Debojit; Raina, Khyati; Thummer, Rajkumar P.; Bhabak, Krishna Pada","Benzimidazole-based ionic and non-ionic organoselenium compounds: innovative synthetic strategies, structural characterization and preliminary anti-proliferative activities","New Journal of Chemistry","2022","46","24","11910","11926","10.1039/D2NJ01322C","","","0.71073","MoKα","","0.0462","0.0351","","","0.0691","0.0751","","","","","","1.095","","","","has coordinates","276642","2022-07-06","08:20:48",""
"7061529","5.04","0.003","10.621","0.006","22.193","0.011","90","","90","","90","","1188","1.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl2 N2 O8 Zn2 -","- C20 H20 Cl2 N2 O8 Zn2 -","- C40 H40 Cl4 N4 O16 Zn4 -","2","0.5","","Yan, Li; Li, Zhongkui; Xiong, Yan; Zhong, Xue; Peng, Shaochun; Li, Hui","Zinc(ii) Schiff base complexes as dual probes for the detection of NH4+ and HPO42− ions","New Journal of Chemistry","2022","46","27","12910","12917","10.1039/D2NJ01686A","","","0.71073","MoKα","","0.0408","0.0355","","","0.0829","0.0849","","","","","","1.028","","","","has coordinates","277128","2022-08-06","11:56:59",""
"7061532","5.0045","0.001","16.99","0.003","22.671","0.005","90","","90","","90","","1927.6","0.7","99.97","0.13","99.97","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 N2 O -","- C28 H20 N2 O -","- C112 H80 N8 O4 -","4","1","","Xu, Xiao; Xia, Ting; Chen, Xu-Lang; Hao, Xiang; Liang, Tongling; Li, Huan-Rong; Gong, Han-Yuan","Tetrabenzo[b,de,gh,j][1,10]phenanthroline: a nitrogen-doped nanographene as a selective metal cation and proton fluorophore","New Journal of Chemistry","2022","46","24","11835","11839","10.1039/D2NJ01861F","","","1.54184","CuKα","","0.0572","0.0471","","","0.1081","0.113","","","","","","1.013","","","","has coordinates","276637","2022-07-06","08:19:11",""
"7061577","5.85996","0.00015","9.5789","0.0003","20.0889","0.0005","90","","90","","90","","1127.63","0.05","123","0.1","123","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 Br3 N O4 Te -","- C3 H10 Br3 N O4 Te -","- C12 H40 Br12 N4 O16 Te4 -","4","1","","Tripathi, Abhishek; Deka, Rajesh; Butcher, Ray J.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Exploring the reactivity of L-tellurocystine, Te-protected tellurocysteine conjugates and diorganodiselenides towards hydrogen peroxide: synthesis and molecular structure analysis","New Journal of Chemistry","2022","46","22","10550","10559","10.1039/D2NJ00997H","","x-ray","0.71073","MoKα","","0.0245","0.0222","","","0.0429","0.0433","","","","","","1.004","","","","has coordinates","275847","2022-06-07","00:27:43",""
"7061610","10.0606","0.0002","11.7335","0.0002","15.8113","0.0003","90","","90","","90","","1866.46","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C68 H96 N8 O20 -","4","1","","Opačak, Saša; Perić, Berislav; Gojšić, Tomislav; Čikoš, Ana; Vikić-Topić, Dražen; Kirin, Srećko I.","Tandem amide coupling and hydroamination: unexpected benzotriazole oxide addition to the propiolic acid triple bond","New Journal of Chemistry","2022","46","27","13275","13285","10.1039/D2NJ02587F","","","1.54184","CuKα","","0.0432","0.0398","","","0.1116","0.1161","","","","","","1.043","","","","has coordinates","277124","2022-08-06","11:56:25",""
"7061611","7.8627","0.0004","10.6927","0.0005","24.4593","0.0012","90","","90","","90","","2056.38","0.17","204","2","204","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N5 O4 -","- C20 H27 N5 O4 -","- C80 H108 N20 O16 -","4","1","","Opačak, Saša; Perić, Berislav; Gojšić, Tomislav; Čikoš, Ana; Vikić-Topić, Dražen; Kirin, Srećko I.","Tandem amide coupling and hydroamination: unexpected benzotriazole oxide addition to the propiolic acid triple bond","New Journal of Chemistry","2022","46","27","13275","13285","10.1039/D2NJ02587F","","","1.54184","CuKα","","0.052","0.049","","","0.1367","0.1415","","","","","","1.051","","","","has coordinates","277124","2022-08-06","11:56:25",""
"7061619","8.793","0.003","15.899","0.005","17.594","0.006","90","","90","","90","","2459.6","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N O4 S -","- C27 H23 N O4 S -","- C108 H92 N4 O16 S4 -","4","1","","Prasad, Rangu; Kanikarapu, Suresh; Dutta, Shubham; Vangara, Srinivas; Sahoo, Akhila K.","Metal-free stereoselective addition of propiolic acids to ynamides: a concise synthetic route to highly substituted enediyne/dienyne-(E)-N,O-acetals","New Journal of Chemistry","2022","46","29","13981","13986","10.1039/D2NJ01907H","","","0.71073","MoKα","","0.1062","0.0462","","","0.1094","0.1349","","","","","","1.007","","","","has coordinates","277115","2022-08-06","11:55:00",""
"7061625","10.4015","0.0006","12.1513","0.0006","31.7163","0.0016","90","","90","","90","","4008.7","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H46 Cl F6 P3 Ru -","- C43 H46 Cl F6 P3 Ru -","- C172 H184 Cl4 F24 P12 Ru4 -","4","1","","Jena, Rajesh K.; Samanta, Mahesh; Sau, Mohan C.; Panda, Sonali; Patra, Braja N.; Bhattacharjee, Manish","Ruthenium(ii)-catalysed direct synthesis of mono-allylation products of 1,3-diketones from cinnamyl alcohols","New Journal of Chemistry","2022","46","28","13558","13564","10.1039/D2NJ01650H","","","0.71073","MoKα","","0.0354","0.0313","","","0.0677","0.0699","","","","","","1.024","","","","has coordinates","277117","2022-08-06","11:55:15",""
"7061632","13.8744","0.0005","17.3267","0.0006","27.3337","0.001","90","","90","","90","","6571","0.4","110","","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 N O3 -","- C30 H23 N O3 -","- C360 H276 N12 O36 -","12","3","","Anjali, Anshika; Lenka, Sambit Kumar; Imran, Predhanekar Mohamed; Bhuvanesh, Nattamai S. P.; Nagarajan, Samuthira","Functionalized D/A–A–D quinolines for application in solution-processable p-channel organic field-effect transistors","New Journal of Chemistry","2022","46","28","13608","13614","10.1039/D2NJ00686C","","","1.54178","CuKα","","0.0304","0.0289","","","0.0756","0.0766","","","","","","1.06","","","","has coordinates","277120","2022-08-06","11:55:43",""
"7061672","6.4132","0.0004","10.9919","0.0007","40.683","0.002","90","","90","","90","","2867.9","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 Cl N4 O4 -","- C35 H30 Cl N4 O4 -","- C140 H120 Cl4 N16 O16 -","4","1","","Huang, Yue; Bao, Xiaoze; Wei, Xingfu; Zhang, Jianfang; Nawaz, Shah; Qu, Jingping; Wang, Baomin","Catalytic asymmetric construction of dispirotriheterocyclic structures through [3+2] cycloadditions of 4-amino pyrazolone-based azomethine ylides","New Journal of Chemistry","2022","46","29","14155","14158","10.1039/D2NJ02895F","","","0.71073","MoKα","","0.0623","0.0435","","","0.0912","0.0979","","","","","","1.048","","","","has coordinates","276936","2022-07-26","00:31:32",""
"7061674","12.8607","0.0004","6.1943","0.0003","40.5519","0.0005","90","","90","","90","","3230.49","0.19","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 Cl4 F Fe N6 O2 P4 -","- C24 H29 Cl4 F Fe N6 O2 P4 -","- C96 H116 Cl16 F4 Fe4 N24 O8 P16 -","4","1","","Elmas, Gamze; Binici, Arzu; Yakut, Mehtap; Okumuş, Aytuğ; Kılıç, Zeynel; Çoşut, Bünyemin; Hökelek, Tuncer; Çerçi, Nebahat Aytuna; Açık, Leyla","Phosphorus–nitrogen compounds. Part 64. Comparative reactions of spiro and ansa (N/O) cyclotetraphosphazenes with bulky (4-fluorobenzyl) N/N and N/O donor type bidentate reagents: structure, stereogenic properties and cytotoxic activity studies","New Journal of Chemistry","2022","46","33","16096","16113","10.1039/D2NJ02280J","","","0.71073","MoKα","","0.0882","0.0489","","","0.0815","0.0939","","","","","","1.056","","","","has coordinates,has disorder","277670","2022-09-06","10:12:18",""
"7061771","7.4978","0.0011","11.2446","0.0015","27.19","0.003","90","","90","","90","","2292.4","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Cl4 Fe N4 O2 S -","- C20 H21 Cl4 Fe N4 O2 S -","- C80 H84 Cl16 Fe4 N16 O8 S4 -","4","1","","Mičová, Romana; Bielková, Zuzana; Rajnák, Cyril; Titiš, Ján; Gembický, Milan; Renz, Franz; Malina, Ondřej; Samoľová, Erika; Nováčiková, Jana; Boča, Roman","Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands","New Journal of Chemistry","2022","46","37","18083","18089","10.1039/D2NJ02294J","","","0.71073","MoKα","","0.0477","0.0379","","","0.0795","0.0841","","","","","","1.036","","","","has coordinates","278444","2022-10-07","01:06:56",""
"7061774","7.4706","0.0007","11.3083","0.0011","27.472","0.002","90","","90","","90","","2320.8","0.4","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Cl4 Fe N4 O2 Se -","- C20 H21 Cl4 Fe N4 O2 Se -","- C80 H84 Cl16 Fe4 N16 O8 Se4 -","4","1","","Mičová, Romana; Bielková, Zuzana; Rajnák, Cyril; Titiš, Ján; Gembický, Milan; Renz, Franz; Malina, Ondřej; Samoľová, Erika; Nováčiková, Jana; Boča, Roman","Hexacoordinate high-spin Fe(iii) complexes composed of a pentadentate amino-type ligand and pseudohalido coligands","New Journal of Chemistry","2022","46","37","18083","18089","10.1039/D2NJ02294J","","x-ray","0.71073","MoKα","K-L~3~","0.0769","0.0465","","","0.0901","0.0992","","","","","","1","","","","has coordinates","278444","2022-10-07","01:06:56",""
"7061780","9.8135","0.0017","13.78","0.003","18.422","0.004","90","","90","","90","","2491.2","0.9","140","","140","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O3 Si2 -","- C24 H32 N2 O3 Si2 -","- C96 H128 N8 O12 Si8 -","4","1","","Goncharova, Irina K.; Ulianova, Eva A.; Novikov, Roman A.; Volodin, Alexander D.; Korlyukov, Alexander A.; Arzumanyan, Ashot V.","Siloxane-containing derivatives of benzoic acid: chemical transformation of the carboxyl group","New Journal of Chemistry","2022","46","37","18041","18047","10.1039/D2NJ03872B","","","0.71073","MoKα","","0.1907","0.1017","","","0.1821","0.2195","","","","","","1.028","","","","has coordinates","278445","2022-10-07","01:07:20",""
"7061794","10.5503","0.0002","11.6343","0.0002","14.8131","0.0003","90","","90","","90","","1818.24","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 Cl2 Co N2 P -","- C14 H25 Cl2 Co N2 P -","- C56 H100 Cl8 Co4 N8 P4 -","4","1","","Kelly, Jordan C.; Bloomfield, Aaron J.","High-spin, tetrahedral cobalt(ii) and nickel(ii) complexes supported by monoprotic aminophosphine ligands, and attempted extension to copper(ii) complexes: synthesis, characterization, and unexpected reactivity","New Journal of Chemistry","2022","46","39","18647","18651","10.1039/D2NJ02651A","","","0.71073","MoKα","","0.0301","0.0257","","","0.0679","0.0707","","","","","","1.051","","","","has coordinates","279011","2022-11-07","05:39:54",""
"7061831","8.7387","0.0005","9.5225","0.0005","29.722","0.0016","90","","90","","90","","2473.3","0.2","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H23 N3 O -","- C34 H23 N3 O -","- C136 H92 N12 O4 -","4","1","","Wang, XinYe; Li, YiXiang; Wu, Yuan; Qin, Ke; Xu, DeFei; Wang, DongDong; Ma, HuiLi; Ning, ShuYa; Wu, ZhaoXin","A 2-phenylfuro[2,3-b]quinoxaline-triphenylamine-based emitter: photophysical properties and application in TADF-sensitized fluorescence OLEDs","New Journal of Chemistry","2022","46","39","18854","18864","10.1039/D2NJ03508A","","x-ray","0.71073","MoKα","","0.0712","0.0446","","","0.0799","0.0865","","","","","","1.01","","","","has coordinates","279017","2022-11-07","05:42:14",""
"7061842","13.5696","0.0006","15.0666","0.0007","16.2774","0.0008","90","","90","","90","","3327.9","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H49 B Cu F4 N5 P2 -","- C28 H49 B Cu F4 N5 P2 -","- C112 H196 B4 Cu4 F16 N20 P8 -","4","1","","Castro, Jesús; Ferraro, Valentina; Bortoluzzi, Marco","Visible-emitting Cu(i) complexes with N-functionalized benzotriazole-based ligands","New Journal of Chemistry","2022","46","39","18938","18951","10.1039/D2NJ03165E","","","0.71073","MoKα","","0.0543","0.0535","","","0.1396","0.1402","","","","","","1.09","","","","has coordinates","279010","2022-11-07","05:39:34",""
"7061844","7.2029","0.0003","12.1616","0.0005","18.3542","0.0007","90","","90","","90","","1607.81","0.11","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H17 B10 I N2 -","- C8 H17 B10 I N2 -","- C32 H68 B40 I4 N8 -","4","1","","Rys, Evgeny G.; Alpatova, Victoria M.; Kononova, Elena G.; Smol’yakov, Alexander F.; Moiseev, Sergey K.; Ol'shevskaya, Valentina A.","Employment of Michael addition reactions for the functionalization of carboranes","New Journal of Chemistry","2022","46","37","18025","18032","10.1039/D2NJ03509J","","","0.71073","MoKα","","0.0185","0.0154","","","0.0244","0.0246","","","","","","1.0278","","","","has coordinates","278443","2022-10-07","01:06:13",""
"7062036","9.4232","0.0003","10.9758","0.0004","15.1715","0.0006","90","","90","","90","","1569.15","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 F3 O2 -","- C15 H23 F2.997 O2 -","- C60 H92 F11.988 O8 -","4","1","","Gyrdymova, Yulia V.; Rumyantcev, Roman V.; Esaulkova, Yana L.; Belyaevskaya, Svetlana V.; Zarubaev, Vladimir V.; Kayumov, Airat R.; Rubtsova, Svetlana A.","New trifluoromethylated sesquiterpenoids: synthesis, rearrangement, and biological activity","New Journal of Chemistry","2022","46","48","23165","23172","10.1039/D2NJ04611C","","","0.71073","MoKα","","0.0874","0.0553","","","0.1382","0.1584","","","","","","1.02","","","","has coordinates,has disorder","280206","2023-01-06","09:55:31",""
"7062048","11.3175","0.0001","11.8653","0.0001","25.2383","0.0002","90","","90","","90","","3389.14","0.05","199.91","0.17","199.91","0.17","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5S,11S)-6H,12H-5,11-ethano dibenzo[b,f][1,5]diazocine . (-)-O,O'-Dibenzoyl-L-tartaric acid","","- C37 H36 N2 O9 -","- C37 H36 N2 O9 -","- C148 H144 N8 O36 -","4","1","","Kazem-Rostami, Masoud","A nitrogen-based chiral catenane for enantioenriching photocatalytic aerobic oxidation","New Journal of Chemistry","2022","46","45","21898","21905","10.1039/D2NJ03732G","","x-ray","1.54184","CuKα","","0.0342","0.0305","","","0.0784","0.0818","","","","","","1.046","","","","has coordinates,has disorder","280218","2023-01-06","09:58:29",""
"7062075","6.7073","0.0001","11.6828","0.0003","38.5757","0.0008","90","","90","","90","","3022.79","0.11","100","2","100","2","","","","","","","Ypsilandra thibetica Franch","3","P 21 21 21","P 2ac 2ab","19","","(23R,24S)-5α-cholest-16β,23-epoxy-23,24-(β-D-arabinopyranose-2,1-di-O-yl)-3β-ol-6-one","","- C32 H52 O9 -","- C32 H52 O9 -","- C128 H208 O36 -","4","1","","Xie, Jing; Zhang, Shi-Juan; Yue, Grace Gar-Lee; Yu, Ling-Ling; Liu, Hui; Ma, Wen-Yi; Yan, Huan; Ni, Wei; Lau, Clara Bik-San; Liu, Hai-Yang","Isolation, structural elucidation, and bioactivity of cholestane derivatives from Ypsilandra thibetica","New Journal of Chemistry","2023","47","1","324","332","10.1039/D2NJ04576A","","","1.54178","CuKα","","0.0479","0.0372","","","0.0845","0.0898","","","","","","1.041","","","","has coordinates","281493","2023-03-04","18:28:28",""
"7062093","13.1812","0.0018","14.144","0.002","20.391","0.003","90","","90","","90","","3801.6","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Cl2 N2 O5 -","- C19 H14 Cl2 N2 O5 -","- C152 H112 Cl16 N16 O40 -","8","2","","He, Hangli; Yan, Zhewei; Wang, Junyong; Yan, Qiongjiao; Wang, Wei; Wang, Haifeng; Chen, Fener","A solvent controlled three-component reaction of diazo compounds for the synthesis of hydrazone compounds under Brønsted acid catalysis","New Journal of Chemistry","2022","46","47","22513","22517","10.1039/D2NJ04983J","","","0.71073","MoKα","","0.2151","0.069","","","0.1484","0.1926","","","","","","0.97","","","","has coordinates,has disorder","280198","2023-01-06","09:54:02",""
"7062168","5.5072","0.0002","12.8308","0.0004","21.227","0.0007","90","","90","","90","","1499.94","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Br O S3 -","- C16 H9 Br O S3 -","- C64 H36 Br4 O4 S12 -","4","1","","Mahato, Karuna; Mondal, Santa; Ali, Ahmed; Bagdi, Prasanta Ray; Khan, Abu T.; Arora, Neha; Ghosh, Siddhartha Sankar","Unconventional sulfur transfer behaviour of 4-hydroxy-dithiocoumarin: an easy access to biologically potent 1,2-dithiolane scaffolds","New Journal of Chemistry","2023","47","4","1954","1961","10.1039/D2NJ04791H","","","0.71073","MoKα","","0.054","0.0415","","","0.0743","0.0777","","","","","","1.085","","","","has coordinates","281519","2023-03-04","18:32:48",""
"7062233","9.3989","0.0004","10.3835","0.0004","37.4316","0.0015","90","","90","","90","","3653.1","0.3","180","","180","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-((R)-1-(2-methoxyphenyl)-2-phenylethyl)piperidine, monohydrochloride; R-MXP; methoxyphenidine hydrochloride; methoxphenidinium chloride","methoxphenidine hydrochloride, R-enantiomer","","- C20 H26 Cl N O -","- C20 H26 Cl N O -","- C160 H208 Cl8 N8 O8 -","8","2","","Jurásek, Bronislav; Fagan, Patrik; Dolenský, Bohumil; Paškanová, Natalie; Dobšíková, Kristýna; Raich, Ivan; Jurok, Radek; Setnička, Vladimír; Kohout, Michal; Čejka, Jan; Kuchař, Martin","A structural spectroscopic study of dissociative anaesthetic methoxphenidine","New Journal of Chemistry","2023","47","9","4543","4551","10.1039/D2NJ06126K","","","1.5418","CuKα","","0.0355","0.033","","0.0894","0.0857","0.0894","","","","","","0.9839","","","","has coordinates","281537","2023-03-04","18:36:08",""
"7062246","14.2687","0.0005","23.7559","0.0009","25.5065","0.001","90","","90","","90","","8645.8","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H54 Li2 N4 O4 S2 Si -","- C44 H54 Li2 N4 O4 S2 Si -","- C352 H432 Li16 N32 O32 S16 Si8 -","8","2","","Mironova, Olga A.; Ryadun, Aleksey A.; Sukhikh, Taisiya S.; Pushkarevsky, Nikolay A.; Konchenko, Sergey N.","Synthesis and photophysical properties of rare earth (La, Nd, Gd, Y, Ho) complexes with silanediamido ligands bearing a chelating phenylbenzothiazole chromophore","New Journal of Chemistry","2023","47","7","3406","3416","10.1039/D2NJ05540F","","","0.71073","MoKα","","0.0718","0.0527","","","0.1314","0.1474","","","","","","1.031","","","","has coordinates,has disorder","281533","2023-03-04","18:35:30",""
"7062320","11.1324","0.0003","11.1382","0.0003","16.7579","0.0005","90","","90","","90","","2077.89","0.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Cl2 Co N3 -","- C20 H25 Cl2 Co N3 -","- C80 H100 Cl8 Co4 N12 -","4","1","","Dong, Shuting; Zong, Zhijian; Sun, Nan; Hu, Baoxiang; Shen, Zhenlu; Hu, Xinquan; Jin, Liqun","Hydrosilylative reduction of secondary amides to amines catalyzed by geometry-constrained NNN-cobalt complexes","New Journal of Chemistry","2023","47","12","5603","5610","10.1039/D3NJ00372H","","","1.34139","GaKα","","0.0362","0.0289","","","0.066","0.0688","","","","","","0.913","","","","has coordinates","283422","2023-05-05","03:07:03",""
"7062328","5.4975","0.0004","5.8918","0.0004","32.289","0.003","90","","90","","90","","1045.85","0.14","193","","193","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Tong, Jin; Zhao, Li-Rong; Zhang, Jin; Wang, Xia-Yan; Yu, Yan-Min; Yu, Shu-Yan","Heteroleptic copper(i) complexes bearing functionalized 1H-pyrazole-bipyridine ligands: synthesis, photophysical properties, crystal structures, and applications in halogen sensing","New Journal of Chemistry","2023","47","9","4374","4385","10.1039/D2NJ05408F","","","1.34139","GaKα","","0.0423","0.0386","","","0.1023","0.1048","","","","","","1.067","","","","has coordinates","281171","2023-02-28","10:24:57",""
"7062357","9.6083","0.0004","14.0301","0.0006","17.6821","0.0009","90","","90","","90","","2383.64","0.19","303.9","0.8","303.9","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Fe2 N2 -","- C29 H26 Fe2 N2 -","- C116 H104 Fe8 N8 -","4","1","","Nedunchezhian, Kavitha; Nallathambi, Sengottuvelan","Mono- and di-ferrocene conjugated 5-methyl benzimidazole based multi-channel receptors for cations/anions with their antimicrobial and anticancer studies","New Journal of Chemistry","2023","47","10","4656","4666","10.1039/D2NJ05960F","","x-ray","0.71073","MoKα","","0.1206","0.0591","","","0.0971","0.1204","","","","","","1.013","","","","has coordinates","281682","2023-03-07","01:28:32",""
"7062416","5.9615","0.0002","14.5594","0.0007","23.8714","0.0011","90","","90","","90","","2071.94","0.15","297.4","0.5","297.4","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O4 S -","- C24 H21 N O4 S -","- C96 H84 N4 O16 S4 -","4","1","","Suraj,; Swamy, K. C. Kumara","Ring expansion/opening reactions of epoxy ene-amides: access to azabicyclononene, tetrahydropyridine and tetrazole scaffolds","New Journal of Chemistry","2023","47","19","9061","9065","10.1039/D3NJ00529A","","x-ray","0.71073","MoKα","","0.1321","0.0952","","","0.2346","0.2916","","","","","","1.001","","","","has coordinates","284296","2023-06-05","04:44:19",""
"7062494","9.7662","0.0002","12.801","0.0001","28.8216","0.0003","90","","90","","90","","3603.19","0.09","94.97","0.11","94.97","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","bis(flufenamato)neocuproinemanganese(II)","","- C42 H30 F6 Mn N4 O4 -","- C42 H30 F6 Mn N4 O4 -","- C168 H120 F24 Mn4 N16 O16 -","4","1","","Klepcová, Zuzana; Špaková, Ivana; Madreiter-Sokolowski, Corina T.; Graier, Wolfgang; Kalinová, Katarína; Samoľová, Erika; Smolková, Romana; Smolko, Lukáš; Rabajdová, Miroslava","Investigation of novel Mn(ii) fenamato complexes with neocuproine and their effects on endometrial cell lines","New Journal of Chemistry","2023","47","28","13088","13097","10.1039/D3NJ00412K","","x-ray","1.54184","CuKα","","0.0469","0.042","","","0.0913","0.0923","","","","2.46","2.46","2.38","","","","has coordinates","285482","2023-08-05","09:17:59",""
"7062495","9.6882","0.0002","13.2014","0.0002","25.3636","0.0004","90","","90","","90","","3243.95","0.1","95","0.1","95","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Mn N4 O4 -","- C40 H32 Mn N4 O4 -","- C160 H128 Mn4 N16 O16 -","4","1","","Klepcová, Zuzana; Špaková, Ivana; Madreiter-Sokolowski, Corina T.; Graier, Wolfgang; Kalinová, Katarína; Samoľová, Erika; Smolková, Romana; Smolko, Lukáš; Rabajdová, Miroslava","Investigation of novel Mn(ii) fenamato complexes with neocuproine and their effects on endometrial cell lines","New Journal of Chemistry","2023","47","28","13088","13097","10.1039/D3NJ00412K","","x-ray","1.54184","CuKα","","0.0277","0.0259","","","0.0656","0.0686","","","","1.934","1.934","1.966","","","","has coordinates","285482","2023-08-05","09:18:09",""
"7062500","8.3434","0.0002","14.2256","0.0004","17.7157","0.0004","90","","90","","90","","2102.67","0.09","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Br0.11 Cl0.89 N4 Ni -","- C23 H27 Br0.106 Cl0.894 N4 Ni -","- C92 H108 Br0.424 Cl3.576 N16 Ni4 -","4","1","","Cao, Shaobo; Xie, Shangqing; Li, Qingshuang; Li, Xiaoyan; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter","Synthesis of [CNN] pincer nickel(ii) NHC chlorides and their catalytic effects on the hydrosilylation of aldehydes and ketones under mild conditions","New Journal of Chemistry","2023","47","26","12229","12238","10.1039/D3NJ01375H","","","1.54184","CuKα","","0.0486","0.0401","","","0.0928","0.0971","","","","","","0.987","","","","has coordinates,has disorder","284942","2023-07-05","10:35:07",""
"7062519","9.354","0.0011","14.3606","0.0018","37.141","0.005","90","","90","","90","","4989.1","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cyclohexa-amylose hydrate methane complex","","- C36.85 H67.95 O34.84 -","- C36.853 H67.959 O34.836 -","- C147.412 H271.836 O139.344 -","4","1","","Jessen, Cecilie Høgfeldt; Bendix, Jesper; Nannestad, Theis Brock; Bordallo, Heloisa N.; Pedersen, Martin Jæger; Pedersen, Christian Marcus; Bols, Mikael","Methane capture with α-cyclodextrins","New Journal of Chemistry","2023","47","31","14624","14629","10.1039/D3NJ01843A","","","0.71073","MoKα","","0.0644","0.0511","","","0.1326","0.1408","","","","","","1.043","","","","has coordinates,has disorder","286170","2023-09-05","20:09:54",""
"7062565","10.378","0.002","13.432","0.003","18.562","0.004","90","","90","","90","","2587.5","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-4-((4-oxo-6-tosyl-1,2,3,4,6,11c-hexahydrobenzo[4,5]thieno[2,3-c]isoquinolin-5-yl)methyl)benzonitrile","","- C30 H24 N2 O3 S2 -","- C30 H24 N2 O3 S2 -","- C120 H96 N8 O12 S8 -","4","1","","Niu, Cheng; Zheng, Yao; Du, Da-Ming","Organocatalytic stereoselective construction of polycyclic benzo[b]thiophenes from 2-aminobenzo[b]thiophenes and alkynyl-substituted enones","New Journal of Chemistry","2023","47","30","14515","14519","10.1039/D3NJ02798H","","","0.71073","MoKα","","0.1125","0.054","","","0.0992","0.1197","","","","","","1.035","","","","has coordinates,has disorder","285487","2023-08-05","09:19:33",""
"7062566","9.6474","0.0014","13.1696","0.0019","22.923","0.003","90","","90","","90","","2912.4","0.7","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(5bS,12cS,Z)-6-benzylidene-7-tosyl-5b,6,7,12c,13,14-hexahydro-5H-benzo[4',5']thieno- [3',2':5,6]pyrido[3,4-a]carbazole","","- C35 H28 N2 O2 S2 -","- C35 H28 N2 O2 S2 -","- C140 H112 N8 O8 S8 -","4","1","","Niu, Cheng; Zheng, Yao; Du, Da-Ming","Organocatalytic stereoselective construction of polycyclic benzo[b]thiophenes from 2-aminobenzo[b]thiophenes and alkynyl-substituted enones","New Journal of Chemistry","2023","47","30","14515","14519","10.1039/D3NJ02798H","","","1.54178","CuKα","","0.0904","0.0706","","","0.1865","0.2164","","","","","","1.072","","","","has coordinates","285487","2023-08-05","09:19:33",""
"7062577","9.115","0.0018","9.147","0.0018","29.34","0.006","90","","90","","90","","2446.2","0.8","220","2","220","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H24 N4 -","- C33 H24 N4 -","- C132 H96 N16 -","4","1","","Sivadas, Deepanjaly K.; Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi","Distinct fluorescence state, mechanofluorochromism of terpyridine conjugated fluorophores and the reusable sensing of nitroaromatics in aqueous medium","New Journal of Chemistry","2023","47","27","12770","12778","10.1039/D3NJ01235B","","","0.63","synchrotron","","0.1215","0.0507","","","0.0912","0.1085","","","","","","0.827","","","","has coordinates","285133","2023-07-11","00:21:42",""
"7062660","7.0481","0.0006","25.4221","0.0009","30.6301","0.0014","90","","90","","90","","5488.2","0.6","200","0.14","200","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C61 H100 O5 -","- C61 H100 O5 -","- C244 H400 O20 -","4","1","","Iftime, Manuela-Maria; Ailiesei, Gabriela Liliana; Shova, Sergiu; Miron, Camelia; Tanaka, Hiromasa; Hori, Masaru; Marin, Luminita","New betulin imine derivatives with antioxidant and selective antitumor activity","New Journal of Chemistry","2023","47","35","16551","16563","10.1039/D3NJ02738D","","x-ray","0.71073","MoKα","","0.1005","0.0735","","","0.1283","0.139","","","","","","1.102","","","","has coordinates","286776","2023-10-06","00:32:04",""
"7062662","6.9924","0.0008","12.499","0.002","34.223","0.004","90","","90","","90","","2991","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H55 N O -","- C33 H55 N O -","- C132 H220 N4 O4 -","4","1","","Iftime, Manuela-Maria; Ailiesei, Gabriela Liliana; Shova, Sergiu; Miron, Camelia; Tanaka, Hiromasa; Hori, Masaru; Marin, Luminita","New betulin imine derivatives with antioxidant and selective antitumor activity","New Journal of Chemistry","2023","47","35","16551","16563","10.1039/D3NJ02738D","","x-ray","0.71073","MoKα","","0.2194","0.0843","","","0.1145","0.1557","","","","","","0.988","","","","has coordinates","286776","2023-10-06","00:32:04",""
"7062710","9.2582","0.0007","12.0267","0.0008","30.804","0.002","90","","90","","90","","3429.9","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N6 O2 -","- C18 H16 N6 O2 -","- C144 H128 N48 O16 -","8","2","","Anitha, Ottoor; Aiswarya, Janardhanan; Thiruppathiraja, Thangaraj; Lakshmipathi, Senthilkumar; Małecki, Jan Grzegorz; Murugesapandian, Balasubramanian","An AIE active acidochromic pyrimidine-functionalized two-in-one fluorescent probe for selective relay detection of Al3+/Zn2+ and PPi with various detection applications","New Journal of Chemistry","2023","47","39","18461","18475","10.1039/D3NJ03379A","","x-ray","0.71073","MoKα","","0.0956","0.0499","","","0.0944","0.1127","","","","","","1.025","","","","has coordinates","287392","2023-11-06","08:03:21",""
"7062719","5.7802","0.0001","7.4879","0.0001","27.7844","0.0005","90","","90","","90","","1202.55","0.03","230","0.1","230","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl N O3 -","- C12 H12 Cl N O3 -","- C48 H48 Cl4 N4 O12 -","4","1","","Bai, Yu-Jun; Wang, Xue-Ying; Zhu, Si-Kai; Zheng, Xiao-Hui; Zhang, Sheng-Yong; Wang, Ping-An","Chiral cyclopropenimine-catalyzed enantioselective Michael additions between benzophenone-imine of glycine esters and α,β-unsaturated pyrazolamides","New Journal of Chemistry","2023","47","40","18811","18817","10.1039/D3NJ02537C","","x-ray","1.54184","CuKα","","0.0261","0.0251","","","0.0661","0.0669","","","","","","1.084","","","","has coordinates","287400","2023-11-06","08:05:13",""
"7062720","5.7785","0.0003","7.4826","0.0003","27.8645","0.0011","90","","90","","90","","1204.81","0.09","240","0.1","240","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl N O3 -","- C12 H12 Cl N O3 -","- C48 H48 Cl4 N4 O12 -","4","1","","Bai, Yu-Jun; Wang, Xue-Ying; Zhu, Si-Kai; Zheng, Xiao-Hui; Zhang, Sheng-Yong; Wang, Ping-An","Chiral cyclopropenimine-catalyzed enantioselective Michael additions between benzophenone-imine of glycine esters and α,β-unsaturated pyrazolamides","New Journal of Chemistry","2023","47","40","18811","18817","10.1039/D3NJ02537C","","x-ray","1.54184","CuKα","","0.0405","0.0348","","","0.0792","0.084","","","","","","1.045","","","","has coordinates","287400","2023-11-06","08:05:16",""
"7062735","10.6688","0.0005","11.5902","0.0005","12.7186","0.0005","90","","90","","90","","1572.7","0.12","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C76 H68 N4 O20 -","4","1","","Rao, H. Surya Prakash; J, Prabhakaran","C(3)-Aryl isoindolinones: a PTSA-mediated access and improved synthesis of (±)-nuevamine","New Journal of Chemistry","2023","47","41","19283","19288","10.1039/D3NJ03498D","","","0.71073","MoKα","","0.0478","0.0368","","","0.0867","0.095","","","","","","1.056","","","","has coordinates","287370","2023-11-06","07:58:05",""
"7062738","12.078","0.002","13.095","0.002","33.434","0.005","90","","90","","90","","5288","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Department of ChemistryUniversity of AnywhereSometownSomewhere, UK","","- C62 H57 Co2 N5 O5 -","- C62 H57 Co2 N5 O5 -","- C248 H228 Co8 N20 O20 -","4","1","","Estifanos Filkale, Adelew; Gangwar, Manoj Kumar; Pandey, Indresh Kumar; Butcher, Ray","Binuclear cobalt(ii) complexes: synthesis, structure, characterizations and catalytic applications in acceptor-less dehydrogenation (AD) of primary alcohols into aldehydes","New Journal of Chemistry","2023","47","42","19657","19671","10.1039/D3NJ03632D","","","0.71075","MoKα","","0.0635","0.0415","","","0.0875","0.1041","","","","","","0.959","","","","has coordinates","287378","2023-11-06","08:00:26",""
"7062770","16.878","0.009","24.478","0.013","8.566","0.005","90","","90","","90","","3539","3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N5 O -","- C21 H15 N5 O -","- C168 H120 N40 O8 -","8","2","","Moral, Rubi; Pegu, Oiyao Appun; Das, Gopal","Terminal substituent-induced differential aggregation and sensing properties: A case study of neutral benzimidazole-based urea receptors","New Journal of Chemistry","2023","47","42","19625","19632","10.1039/D3NJ03806H","","","0.71073","MoKα","","0.1013","0.0809","","","0.2004","0.2132","","","","","","1.074","","","","has coordinates","287382","2023-11-06","08:01:03",""
"7062825","7.5908","0.0003","8.8473","0.0004","20.0914","0.0008","90","","90","","90","","1349.3","0.1","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Zhao, Peng; Xin, Ben-Song; He, Feng-Ming; Ye, Li; Ma, Zhen-Tao; Hao, Jin-Le; Shi, Rui; He, Xia-Hong; Yao, Guo-Dong; Lin, Bin; Huang, Xiao-Xiao; Song, Shao-Jiang","Nine undescribed sesquiterpenoids from the aerial parts of Daphne penicillata: cyclooxygenase-2 inhibition, molecular docking, and molecular dynamics studies","New Journal of Chemistry","2023","47","45","20890","20899","10.1039/D3NJ04013E","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","288864","2024-01-06","09:08:04",""
"7062827","6.2156","0.0003","8.7329","0.0004","26.149","0.0011","90","","90","","90","","1419.37","0.11","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Zhao, Peng; Xin, Ben-Song; He, Feng-Ming; Ye, Li; Ma, Zhen-Tao; Hao, Jin-Le; Shi, Rui; He, Xia-Hong; Yao, Guo-Dong; Lin, Bin; Huang, Xiao-Xiao; Song, Shao-Jiang","Nine undescribed sesquiterpenoids from the aerial parts of Daphne penicillata: cyclooxygenase-2 inhibition, molecular docking, and molecular dynamics studies","New Journal of Chemistry","2023","47","45","20890","20899","10.1039/D3NJ04013E","","","1.54178","CuKα","","0.0418","0.0389","","","0.0964","0.0981","","","","","","1.061","","","","has coordinates","288864","2024-01-06","09:08:23",""
"7062831","5.4688","0.0007","6.1708","0.0008","20.871","0.003","90","","90","","90","","704.33","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 N3 O S -","- C6 H5 N3 O S -","- C24 H20 N12 O4 S4 -","4","1","","Sheremetev, Aleksei B.; Kozeev, Andrei S.; Palysaeva, Nadezhda V.; Suponitsky, Kyrill Yu.","A mild and efficient synthesis of aminofurazans","New Journal of Chemistry","2023","47","45","21091","21097","10.1039/D3NJ03371F","","","0.71073","MoKα","","0.0776","0.0612","","","0.1198","0.1271","","","","","","1.091","","","","has coordinates","288857","2024-01-06","09:03:53",""
"7062864","10.343","0.0003","22.5061","0.0007","23.8579","0.0007","90","","90","","90","","5553.7","0.3","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H52 Cd2 N4 O16 -","- C60 H52 Cd2 N4 O16 -","- C240 H208 Cd8 N16 O64 -","4","1","","Zhang, Jinfang; Lin, Zhuo; Yue, Yinlong; Chen, Qinghan; Yin, Dejing; Zhang, Chi","A photochromic Cd(ii)-organic framework showing highly efficient dual-response sensing properties","New Journal of Chemistry","2023","47","47","21986","21993","10.1039/D3NJ04122K","","","1.54178","Cukα","","0.0452","0.0411","","","0.0942","0.0963","","","","","","1.063","","","","has coordinates","288842","2024-01-06","08:49:17",""
"7062870","4.8051","0.0003","11.2889","0.0008","16.6472","0.0011","90","","90","","90","","903.02","0.1","298","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","","Badhani, Gaurav; Biramya, Valvi Mangesh; Adimurthy, Subbarayappa","Ionic liquid-catalysed regioselective oxygenation of quinoxalin-2(1H)-ones under visible-light conditions","New Journal of Chemistry","2023","47","47","21596","21599","10.1039/D3NJ04496C","","","0.71073","MoKα","","0.0533","0.0374","","","0.0881","0.1006","","","","","","1.148","","","","has coordinates","288845","2024-01-06","08:54:46",""
"7062880","8.7998","0.0003","12.869","0.0005","23.2104","0.0006","90","","90","","90","","2628.45","0.15","99.98","0.11","99.98","0.11","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H43 Cl3 Co2 N8 O4 -","- C16 H43 Cl3 Co2 N8 O4 -","- C64 H172 Cl12 Co8 N32 O16 -","4","1","","Zhang, Yan; Qi, Xiao-Fang; Li, Can-Hao; Zhan, Shu-Zhong","Finding a mononuclear cobalt(iii)-peroxo complex with 1,4,7,10-tetraazacyclododecane, an intermediate for dioxygen reduction","New Journal of Chemistry","2023","47","47","21648","21653","10.1039/D3NJ04108E","","x-ray","1.54184","CuKα","","0.0696","0.0618","","","0.1627","0.1705","","","","","","1.106","","","","has coordinates","288852","2024-01-06","08:58:31",""
"7062894","12.516","0.0006","12.9592","0.0007","13.5707","0.0008","90","","90","","90","","2201.1","0.2","294.8","","294.8","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H17 F N2 O3 -","- C30 H17 F N2 O3 -","- C120 H68 F4 N8 O12 -","4","1","","Tang, Jieyu; Liu, Xi; Zhang, Xue; Zhao, Jianzhang; Wan, Yan","Fine-tuning of the charge-separated state energy in compact orthogonal naphthalene–phenoxazine dyads and its effect on the thermally-activated delayed fluorescence","New Journal of Chemistry","2023","47","48","22418","22429","10.1039/D3NJ04201D","","","0.71073","MoKα","","0.0685","0.0435","","","0.0951","0.1091","","","","","","1.04","","","","has coordinates","288853","2024-01-06","08:59:16",""
"7062895","12.781","0.0007","12.868","0.0006","13.2627","0.0007","90","","90","","90","","2181.26","0.19","273.7","","273.7","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","NI-PXZ-Ph","","- C30 H18 N2 O3 -","- C30 H18 N2 O3 -","- C120 H72 N8 O12 -","4","1","","Tang, Jieyu; Liu, Xi; Zhang, Xue; Zhao, Jianzhang; Wan, Yan","Fine-tuning of the charge-separated state energy in compact orthogonal naphthalene–phenoxazine dyads and its effect on the thermally-activated delayed fluorescence","New Journal of Chemistry","2023","47","48","22418","22429","10.1039/D3NJ04201D","","","0.71073","MoKα","","0.0677","0.0427","","","0.0921","0.105","","","","","","1.07","","","","has coordinates","288853","2024-01-06","08:59:20",""
"7062910","8.64","0.01","9.59","0.01","16.87","0.01","90","","90","","90","","1398","2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cerium oxalate hydrate","","","- C6 H4 Ce2 O16 -","- C6 H4 Ce2 O16 -","- C24 H16 Ce8 O64 -","4","1","","Assi, Navid; Lahoud, Christophe; Brázda, Petr; Zákutná, Dominika; Rainer, Daniel N.; Hraníček, Jakub; Rohlíček, Jan; Tyrpekl, Václav","Hydrothermal conversion of cerium oxalate to CeO2: a parade of oxalate and water coordination modes","New Journal of Chemistry","2024","48","3","1071","1075","10.1039/D3NJ04635D","","electron","0.0251","electron","","0.1175","0.0888","","","0.091","0.0952","","","","0","0","2.109","","","","has coordinates","289601","2024-02-04","12:25:06",""
"7062918","4.2162","0.0005","14.4562","0.0015","21.1593","0.0016","90","","90","","90","","1289.7","0.2","124.3","0.3","124.3","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 O2 -","- C19 H14 O2 -","- C76 H56 O8 -","4","1","","An, Xinkun; Ma, Haoyun; Cui, Guoen; Zhang, Tingting; Xu, Leichuan; Wang, Mingan","Novel and rapid approach for benzanthrone synthesis: BBr3-promoted annulation of 8-aryl-1-naphthoic acid derivatives","New Journal of Chemistry","2024","48","4","1741","1756","10.1039/D3NJ03905F","","x-ray","0.71073","MoKα","","0.1026","0.0602","","","0.1067","0.1339","","","","","","1.013","","","","has coordinates","289589","2024-02-04","12:21:58",""
"7062962","9.0216","0.0003","13.8726","0.0005","24.6824","0.0009","90","","90","","90","","3089.08","0.19","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 Co2 N2 O10 Si -","- C25 H36 Co2 N2 O10 Si -","- C100 H144 Co8 N8 O40 Si4 -","4","1","","Chau Nguyen, Khiem; Chung, Duy T. M.; Nalaoh, Phattananawee; Lindsey, Jonathan S.","Synthesis of chiral hexynones for use as precursors to native photosynthetic hydroporphyrins","New Journal of Chemistry","2024","48","5","2097","2117","10.1039/D3NJ03900E","","","0.71073","MoKα","","0.0367","0.0303","","","0.0639","0.0667","","","","","","1.06","","","","has coordinates","289580","2024-02-04","12:20:15",""
"7062964","4.7263","0.0017","15.85","0.006","17.689","0.007","90","","90","","90","","1325.1","0.9","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","","Qin, Hui; Wei, Guo-Liang; Zheng, Xiao-Wei; Bao, Mei-Hua; Zhang, Yi-Wen; Huang, Ping","K2S2O8-mediated direct C–H functionalization to synthesize quinoxalin-2(1H)-one derivatives in water","New Journal of Chemistry","2024","48","7","2945","2949","10.1039/D3NJ04784A","","x-ray","1.54178","CuKα","","0.1231","0.0619","","","0.1488","0.2033","","","","","","1.038","","","","has coordinates","290245","2024-03-04","20:37:49",""
"7062989","4.4778","0.0002","16.942","0.0007","25.8329","0.001","90","","90","","90","","1959.76","0.14","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 N5 O2 -","- C25 H17 N5 O2 -","- C100 H68 N20 O8 -","4","1","","Razuwika, Rufaro; Munro, Orde Q.","Synthesis and characterization of C2-symmetric bis(carboxamide) pincer ligands","New Journal of Chemistry","2024","48","10","4229","4244","10.1039/D3NJ05502G","","","0.71073","MoKα","","0.0227","0.0172","","","0.0278","0.0292","","","","","","1.1112","","","","has coordinates","291010","2024-04-05","00:02:07",""
"7063039","15.5001","0.0005","18.3458","0.0006","19.5228","0.0006","90","","90","","90","","5551.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H56 Br4 N4 O10 -","- C48 H56 Br4 N4 O10 -","- C192 H224 Br16 N16 O40 -","4","1","","Khan, Umair Ahmed; Choudhary, M. Iqbal; Yousuf, Sammer","Synthesis of halogenated benzimidazolyl-C-nucleosides and their activity against Leishmania major and Leishmania tropica","New Journal of Chemistry","2024","48","13","5605","5612","10.1039/D4NJ00035H","","","1.54178","CuKα","","0.0664","0.0525","","","0.0942","0.0989","","","","","","1.03","","","","has coordinates","291013","2024-04-05","00:03:25",""
"7063064","6.13","0.003","15.48","0.007","22.251","0.01","90","","90","","90","","2111.5","1.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H10 Br2 N4 O2 -","- C24 H10 Br2 N4 O2 -","- C96 H40 Br8 N16 O8 -","4","1","","Ali, Hasrat; van Lier, Johan E.","gem-Dibromovinyl phthalonitriles: synthesis, structure elucidation, Hirshfeld surface analysis and energy framework calculations","New Journal of Chemistry","2024","48","14","6350","6366","10.1039/D3NJ04853E","","","0.71073","MoKα","","0.0895","0.0623","","","0.159","0.1711","","","","","","1.009","","","","has coordinates","291023","2024-04-05","00:05:18",""
"7063083","9.32674","0.00013","13.9964","0.0002","25.3147","0.0003","90","","90","","90","","3304.6","0.08","99.97","0.13","99.97","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 N6 O4 -","- C38 H40 N6 O4 -","- C152 H160 N24 O16 -","4","1","","Chen, Zi-Yue; Xu, Ke-Lan; Wang, Xi-Rui; Hu, Pan; Jiang, Wei-Yan; Dai, Yi-Feng; Peng, Li-Jun; Liu, Xiong-Li","Phen-2NO, a new C2-symmetric rigid-featured tetradentate ligand, and its application in the asymmetric alkylation reaction of indoles","New Journal of Chemistry","2024","48","15","6670","6675","10.1039/D4NJ00088A","","x-ray","1.54184","CuKα","","0.0463","0.0446","","","0.1248","0.1264","","","","","","1.026","","","","has coordinates","291676","2024-05-05","03:50:31",""
"7063109","8.571","0.002","10.845","0.003","23.991","0.006","90","","90","","90","","2230","1","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Cl4 Cu N3 -","- C20 H21 Cl4 Cu N3 -","- C80 H84 Cl16 Cu4 N12 -","4","1","","Muley, Arabinda; Karumban, Kalai Selvan; Kumbhakar, Sadananda; Mathur, Shobhit; Roy, Indrajit; Verma, Anushka; Kumawat, Manoj Kumar; Maji, Somnath","Tailored design, synthesis, and catalytic aspects of mononuclear cis-dichloro copper(ii) complexes with simple DPA-derived tridentate ligands and their biomimicking activities","New Journal of Chemistry","2024","48","17","7739","7753","10.1039/D3NJ05740B","","","0.71073","MoKα","","0.0963","0.0591","","","0.1409","0.162","","","","","","1.043","","","","has coordinates","291671","2024-05-05","03:47:30",""
"7063129","5.183","0.0001","5.512","0.0001","64.5994","0.0013","90","","90","","90","","1845.52","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","","Bakija, Marija; Peric, Berislav; Kirin, Srećko I.","Oxazoline amino acid bioconjugates: One-pot synthesis and analysis of supramolecular interactions","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00995A","","","1.54184","CuKα","","0.0878","0.0867","","","0.2856","0.2865","","","","","","1.161","","","","has coordinates","291129","2024-04-06","00:42:36",""
"7063178","7.7915","0.0001","12.8038","0.0001","17.2663","0.0002","90","","90","","90","","1722.5","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa","Facile synthesis of spiro-pyrazolone-tetrahydrofurans/pyrans: ipso-cyclization of arylidene pyrazolones with haloalcohols","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00447G","","","1.54184","CuKα","","0.0385","0.0349","","","0.0908","0.0942","","","","","","1.06","","","","has coordinates","291327","2024-04-23","00:50:39",""
"7063182","7.2658","0.0002","7.9217","0.0002","29.7691","0.001","90","","90","","90","","1713.43","0.09","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3ia","","- C21 H15 Cl N2 O -","- C21 H15 Cl N2 O -","- C84 H60 Cl4 N8 O4 -","4","1","","Jat, Ram Singh; Singh, Gautami; Bhanuchandra, M.","KHMDS Mediated Ring-Opening/Reconstruction of Anthranils with Arylacetonitriles: Synthesis of Multisubstituted 2-Aminoquinoline N-Oxides","New Journal of Chemistry","2024","","","","","10.1039/D4NJ00311J","","","0.71073","MoKα","","0.0383","0.0373","","","0.0894","0.09","","","","","","1.154","","","","has coordinates","291349","2024-04-25","00:35:22",""
"7100014","6.501","0.001","12.672","0.001","32.201","0.001","90","","90","","90","","2652.7","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(2S,2aS,4aR,5aS,8aS, 10aR,12aS,12bS,13aR)-4a-hydroxy-2- (1R,2R)-2-hydroxy-1-methyl-2-((2R)-4-methyl-5-oxo-2,5-dihydro-2- furanyl)ethyl-2a,10,10-trimethylperhydrofuro(3,2- b)oxireno(2'',3'':3',3a')indeno(4',5':5,6)-cyclohepta(c)furan-7-one","","","- C29 H40 O8 -","- C29 H40 O8 -","- C116 H160 O32 -","4","1","","Li, Rong-Tao; Han, Quan-Bin; Zheng, Yong-Tang; Wang, Rui-Rui; Yang, Liu-Meng; Lu, Yang; Sang, Su-Qin; Zheng, Qi-Tai; Zhao, Qin-Shi; Sun, Han-Dong","Structure and anti-HIV activity of micrandilactones B and C, new nortriterpenoids possessing a unique skeleton from Schisandra micrantha","Chemical Communications (Cambridge, United Kingdom)","2005","","23","2936","2938","10.1039/b501932j","","","","","","","","","","","","","","","","","","","","","has coordinates","208978","2020-10-21","18:00:00",""
"7100048","6.1939","0.0014","12.977","0.003","17.601","0.004","90","","90","","90","","1414.8","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H25 Ga2 N3 -","- C8 H25 Ga2 N3 -","- C32 H100 Ga8 N12 -","4","1","","Wayne Gladfelter; Benjamin E. Kuccera; Bing Luo","Mono- and digallane complexes of a tridentate amido-diamine ligand","Chemical Communications","2005","","","","","10.1039/b503705k","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100070","9.7328","0.0007","13.7878","0.0009","22.0639","0.0014","90","","90","","90","","2960.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O6 -","- C32 H38 N2 O6 -","- C128 H152 N8 O24 -","4","1","","Reiko Kuroda; Yoshitane Imai; Tomohiro Sato; Masatoshi Takeshita","Efficient Optical Resolution of Secondary Alkyl Alcohols by Chiral Supramolecular Hosts","Chemical Communications","2005","","","","","10.1039/b504164c","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100074","13.396","0.005","15.694","0.005","20.544","0.005","90","","90","","90","","4319","2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H63 Cs O5 Ti3 -","- C40 H63 Cs O5 Ti3 -","- C160 H252 Cs4 O20 Ti12 -","4","1","","Miguel Mena; Octavio Gonzalez-del Moral; Avelino Martin; Maria del Carmen Morales-Varela; Cristina Santamaria","Hydrocarbon species μ3-CCH2-, μ3-CCH3 and μ-CHCH3 supported on Ti3O3","Chemical Communications","2005","","","","","10.1039/b504467g","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100079","13.3553","0.001","13.3843","0.0009","25.8835","0.0018","90","","90","","90","","4626.7","0.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","((Et2O)2Li)(OTi(N(t-Bu)Ar)3)","","","- C44 H68 Li N3 O3 Ti -","- C44 H68 Li N3 O3 Ti -","- C176 H272 Li4 N12 O12 Ti4 -","4","1","","C. Cummins; Joshua S. Figueroa; Arjun Mendiratta","Synthesis of a four-coordinate titanium(IV) oxoanion via deprotonation and decarbonylation of complexed formate","Chemical Communications","2005","","","","","10.1039/b504492h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100116","10.8191","0.0007","29.4126","0.0019","31.945","0.002","90","","90","","90","","10165.6","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(4-cyanobenzyliden)-cycloheptan-1-one / permethylated-gamma- cyclodextrin","","","- C87 H143 N O41 -","- C87 H143 N O41 -","- C348 H572 N4 O164 -","4","1","","Arnaud Grandeury; Samuel Petit; Servane Coste; Gerard Coquerel; Cecile Perrio; Geraldine Gouhier","New synthesis of (Z,E)-2,7-bis(4-cyanobenzylidene)cycloheptan-1-one under stereospecific constraints induced by host-guest interactions","Chemical Communications","2005","","","","","10.1039/b504989j","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100127","7.7121","0.0007","10.729","0.0009","17.409","0.001","90","","90","","90","","1440.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O4 S -","- C14 H16 N2 O4 S -","- C56 H64 N8 O16 S4 -","4","1","","Mitsuo Kira; Natsuki Hamada; Chizuko Kabuto; Wataru Setaka","Intramolecular Charge-Transfer Fluorescence of 1-Phenylbicyclo[2.2.2]octasilane","Chemical Communications","2005","","","","","10.1039/b505197e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100163","4.9826","0.0019","22.066","0.01","24.319","0.009","90","","90","","90","","2673.7","1.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22.25 H22 Cl F2 N2 O6 -","- C22.25 H22 Cl F2 N2 O6 -","- C89 H88 Cl4 F8 N8 O24 -","4","1","","D. O'Hagan; Martin Schuler; A. Slawin","The C-F bond as a tool for influencing peptide conformation","Chemical Communications","2005","","","","","10.1039/b506010a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100181","11.012","0.004","14.223","0.006","15.175","0.007","90","","90","","90","","2376.7","1.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H21 N3 -","- C34 H21 N3 -","- C136 H84 N12 -","4","1","","Chien-Tien Chen; Chin-Hsiung Chien; Jin-Sheng Lin; Yi-Wen Lin; Murthy V. R. K. Moturu; Yu-Tai Tao","Doubly Ortho-linked Quinoxaline/Triarylamine Hybrid as a Bifunctional, Dipolar Electroluminescent Template for Optoelectronic Applications","Chemical Communications","2005","","","","","10.1039/b506409k","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7100190","9.1878","0.0018","14.344","0.003","15.575","0.003","90","","90","","90","","2052.7","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 Li N3 -","- C19 H36 Li N3 -","- C76 H144 Li4 N12 -","4","1","","Philip Dyer; John Fawcett; Gerry A. Griffith; Martin J. Hanton; Celine Olivier; A.R. Patterson; Samuel Suhard","Sterically-controlled regioselective para-substitutions of aniline","Chemical Communications","2005","","","","","10.1039/b506824j","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100195","8.1836","0.0007","10.6011","0.001","16.4345","0.0016","90","","90","","90","","1425.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N4 O4 -","- C13 H18 N4 O4 -","- C52 H72 N16 O16 -","4","1","","Parthasarathi Dastidar; Amitava Das; D.Amilan Jose; D.Krishna Kumar","First Snapshot of A Nonpolymeric Hydrogelator Interacting with its Gelling solvents","Chemical Communications","2005","","","","","10.1039/b506941f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100206","8.1055","0.0002","14.4647","0.0004","15.233","0.0005","90","","90","","90","","1785.97","0.09","173","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O S -","- C23 H22 O S -","- C92 H88 O4 S4 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b507394d","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100211","10.714","0.004","14.256","0.002","18.824","0.007","90","","90","","90","","2875.2","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 Mn O7 P2 S -","- C29 H21 Mn O7 P2 S -","- C116 H84 Mn4 O28 P8 S4 -","4","1","","Javier Ruiz; Mario Ceroni; Santiago Garcia-Granda; Marta Gonzalo; F.van der Maelen; M.Vivanco","New approach to sulfonated diphosphines: synthesis and amphoteric behaviour of the zwitterionic complex [Mn+(CO)4{(PPh2)2C(H)SO3-}]","Chemical Communications","2005","","","","","10.1039/b507600e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100225","7.9003","0.0002","14.1271","0.0003","17.2611","0.0005","90","","90","","90","","1926.48","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O2 S -","- C23 H23 N O2 S -","- C92 H92 N4 O8 S4 -","4","1","","Juan Carlos Carretero; Pablo Mauleon","Enantioselective construction of stereogenic quaternary centres via Rh-catalyzed?asymmetric addition of alkenyl boronic acids to a,b-unsaturated pyridylsulfones","Chemical Communications","2005","","","","","10.1039/b508142d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100228","8.573","0.005","9.925","0.006","14.892","0.009","90","","90","","90","","1267.1","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 B2 Li N2 -","- C10 H23 B2 Li N2 -","- C40 H92 B8 Li4 N8 -","4","1","","Roland Roesler; Taryn D. Forster; Hanh V. Ly; Darren Maley; Masood Parvez","-n3:n4-Lithiocene and n3:n3-Zincocene Incorporating 1,2-Diaza-3,5-diborolyl, a Cyclopentadienyl Analog","Chemical Communications","2005","","","","","10.1039/b508152a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100230","12.7386","0.0006","16.3024","0.0008","31.923","0.002","90","","90","","90","","6629.4","0.6","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 I2 N2 Pd -","- C13 H20 I2 N2 Pd -","- C208 H320 I32 N32 Pd16 -","16","4","","Martin Albrecht; Helen Stoeckli-Evans","Catalytically active palladium pyridylidene complexes: Pyridinium ionic liquids as N-heterocyclic carbene precursors","Chemical Communications","2005","","","","","10.1039/b508225k","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100267","4.3135","0.0004","11.327","0.001","12.558","0.001","90","","90","","90","","613.57","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 Br O2 -","- C5 H7 Br O2 -","- C20 H28 Br4 O8 -","4","1","","Karl Anker Jorgensen; Stephan Bachmann; Soren Bertelsen; Alan Braunton; Nis Halland; Mauro Marigo","Organocatalytic Asymmetric a-Bromination of Aldehydes and Ketones","Chemical Communications","2005","","","","","10.1039/b509366j","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100277","9.5673","0.0005","11.3995","0.0007","28.6673","0.0016","90","","90","","90","","3126.5","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 B Cu F4 N3 O6 -","- C27 H44 B Cu F4 N3 O6 -","- C108 H176 B4 Cu4 F16 N12 O24 -","4","1","","Lutz Gade; Stephane Bellemin-Laponnaz; Carole Foltz; Guido Marconi; Bjorn Stecker; Hubert Wadepohl","Exploiting C3-Symmetry in the Dynamic Coordination of a Chiral Trisoxazoline to Copper(II): Improved Enantioselectivity, and Catalyst Stability in Asymmetric Lewis Acid Catalysis","Chemical Communications","2005","","","","","10.1039/b509571a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100278","9.5398","0.0008","11.5517","0.0009","28.674","0.002","90","","90","","90","","3159.9","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 Cl Cu N3 O10 -","- C27 H44 Cl Cu N3 O10 -","- C108 H176 Cl4 Cu4 N12 O40 -","4","1","","Lutz Gade; Stephane Bellemin-Laponnaz; Carole Foltz; Guido Marconi; Bjorn Stecker; Hubert Wadepohl","Exploiting C3-Symmetry in the Dynamic Coordination of a Chiral Trisoxazoline to Copper(II): Improved Enantioselectivity, and Catalyst Stability in Asymmetric Lewis Acid Catalysis","Chemical Communications","2005","","","","","10.1039/b509571a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100316","5.9045","0.0001","16.7946","0.0004","18.1015","0.0006","90","","90","","90","","1795.01","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C64 H112 N8 O20 -","4","1","","P.Bailey; B.C.A.Richard; Ian D.Collier; George L.Kellett; D.Meredith; Keith M.Morgan; Rachel Pettecrew; Richard A.Price; Robin G.Pritcharda","Conformational and spacial preferences for substrates of PepT1","Chemical Communications","2005","","","","","10.1039/b510697d","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100337","7.8199","0.0007","10.4971","0.001","19.081","0.0018","90","","90","","90","","1566.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cu N3 O5 -","- C15 H8 Cu N3 O5 -","- C60 H32 Cu4 N12 O20 -","4","1","","Jarrod F. Eubank; Rosa D. Walsh; Mohamed Eddaoudi","Terminal co-ligand directed synthesis of a neutral, non-interpenetrated (10,3)-a metal-organic framework","Chemical Communications","2005","","","","","10.1039/b417013j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100362","7.8446","0.0001","17.6912","0.0001","20.2936","0.0001","90","","90","","90","","2816.35","0.04","123","1","123","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 P2 Pt Si Ti -","- C26 H46 P2 Pt Si Ti -","- C104 H184 P8 Pt4 Si4 Ti4 -","4","1","","Tamm, M.; Kunst, A.; Herdtweck, E.","Regioselective Si-C Bond Activation in Silicon-Bridged Ansa-Cycloheptatrienyl-Cyclopentadienyl Complexes","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100363","7.8629","0.0001","17.7086","0.0001","20.1938","0.0001","90","","90","","90","","2811.8","0.04","123","1","123","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H46 P2 Pt Si V -","- C26 H46 P2 Pt Si V -","- C104 H184 P8 Pt4 Si4 V4 -","4","1","","","","Chemical Communications","2005","","","","","","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100365","9.5902","0.0003","10.3216","0.0004","24.9928","0.001","90","","90","","90","","2473.94","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N3 O2 -","- C28 H31 N3 O2 -","- C112 H124 N12 O8 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b417954d","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100370","8.56","0.0016","12.14","0.002","25.374","0.005","90","","90","","90","","2636.8","0.8","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","2","","B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee","Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran","Chemical Communications","2005","","","","","10.1039/b418035f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100371","12.6293","0.0016","12.9407","0.0017","19.247","0.003","90","","90","","90","","3145.6","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H30 N2 O14 -","- C33 H30 N2 O14 -","- C132 H120 N8 O56 -","4","1","","B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee","Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran","Chemical Communications","2005","","","","","10.1039/b418035f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100412","8.6618","0.0015","16.427","0.003","33.971","0.006","90","","90","","90","","4833.7","1.4","141","2","141","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H36 F15 N6 Rh -","- C55 H36 F15 N6 Rh -","- C220 H144 F60 N24 Rh4 -","4","1","","Jim Collman; Richard A Decreau; Todd A. Eberspacher; Christopher J. Sunderland; Hong Wang","Synthesis and Characterization of RhIII Corroles: Unusual Reactivity Patterns Observed During Metallation reactions","Chemical Communications","2005","","","","","10.1039/b500247h","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","134198","2020-10-21","18:00:00",""
"7100422","5.9752","0.0004","9.0939","0.0007","32.092","0.002","90","","90","","90","","1743.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-glycilprolylglycine methylester","","","- C15 H25 N3 O6 -","- C15 H25 N3 O6 -","- C60 H100 N12 O24 -","4","1","","Sandeep Verma; Alok Jain; P.K. Krishna; C.S. Purohit; R. Sankararamakrishnan","Enforcing Solution Phase Nanoscopic Aggregation in a Palindromic Tripeptide","Chemical Communications","2005","","","","","10.1039/b500654f","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100459","6.7931","0.0005","17.79","0.002","20.368","0.002","90","","90","","90","","2461.5","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 B2 O4 -","- C28 H32 B2 O4 -","- C112 H128 B8 O16 -","4","1","","Todd Marder; Andrei S. Batsanov; David N. Coventry; Andres Eduardo Goeta; Judith A.K. Howard; Robin N Perutz","Selective Ir-Catalysed Borylation of Polycyclic Aromatic Hydrocarbons: Structures of Naphthalene-2,6-bis(boronate), Pyrene-2,7-bis(boronate) and Perylene-2,5,8,11-tetra(boronate) esters","Chemical Communications","2005","","","","","10.1039/b501778e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100473","6.967","0.003","11.28","0.006","13.635","0.007","90","","90","","90","","1071.5","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 B Cl N -","- C11 H13 B Cl N -","- C44 H52 B4 Cl4 N4 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b502448j","","","","","","","","","","","","","","","","","","","","","has coordinates","277873","2022-09-15","11:31:04",""
"7100481","5.325","0.004","7.96","0.005","28.285","0.019","90","","90","","90","","1198.8","1.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-(4-Iodophenoxy)benzonitrile","","","- C13 H8 I N O -","- C13 H8 I N O -","- C52 H32 I4 N4 O4 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100488","5.86","0.0011","7.8153","0.0015","23.13","0.004","90","","90","","90","","1059.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(4-Methylphenoxy)aniline","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Archan Dey; Gautam R. Desiraju","Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers.","Chemical Communications","2005","","","","","10.1039/b502516h","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:05",""
"7100511","19.223","0.004","21.597","0.004","12.671","0.003","90","","90","","90","","5260.5","1.9","210","2","210","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H68 Cl10 Ta4 -","- C44 H68 Cl10 Ta4 -","- C176 H272 Cl40 Ta16 -","4","1","","Lee, Ting-Yu; Wooten, Alfred J.; Luci, Jeffery J.; Swenson, Dale C.; Messerle, Louis","Four-electron reduction of dinitrogen during solution disproportion-ation of the organodimetallic (n-C5Me4R)2Ta2(μ-Cl)4 (R = Me, Et) to a new μ-n1,n1-N2 complex and odd electron organotrimetallic cluster","Chemical Communications","2005","","","","","10.1039/b508148c","","","","","","","0.0259","","","0.0602","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100515","8.203","0.007","21.613","0.017","30.49","0.03","90","","90","","90","","5406","8","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Bis(chloro(pentamethylcyclopentadienyl)-(methyl-4,6-O-beta- naphthyl-2-methyliden-beta-D-glucopyranosidato)titan)","","","- C55 H70 Cl2 O12 Ti2 -","- C55 H70 Cl2 O12 Ti2 -","- C220 H280 Cl8 O48 Ti8 -","4","1","","J. Heck; D. Kuentzer; L. Jessen","Sugar Ligands in Organotitanium Complexes","Chemical Communications","2005","","","","","10.1039/b508851h","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100517","10.139","0.001","16.795","0.002","18.882","0.003","90","","90","","90","","3215.3","0.7","298","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Co F12 N3 O6 P2 -","- C26 H29 Co F12 N3 O6 P2 -","- C104 H116 Co4 F48 N12 O24 P8 -","4","1","","Clotilde Policar; Francois Bellot; Renaud Hardre; Giorgio Pelosi; Michel Therisod","Superoxide Dismutase Activity of Cobalt(II) Complexes Based on a Sugar Plateform.","Chemical Communications","2005","","","","","10.1039/b508893c","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100523","9.661","0.003","15.095","0.002","17.904","0.004","90","","90","","90","","2610.8","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O2 P2 -","- C28 H30 N2 O2 P2 -","- C112 H120 N8 O8 P8 -","4","1","","K. C. Kumara Swamy; Manab Chakravarty; Praveen Kommana","Nonstoichiometry induced by differential oxygen/ lone pair occupation in chiral bicyclic 1,1'-binaphthoxy cyclodiphosphazanes","Chemical Communications","2005","","","","","10.1039/b509327a","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100524","9.7123","0.0006","15.1885","0.0009","17.8209","0.001","90","","90","","90","","2628.9","0.3","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3.1 P2 -","- C28 H30 N2 O3.1 P2 -","- C112 H120 N8 O12.4 P8 -","4","1","","K. C. Kumara Swamy; Manab Chakravarty; Praveen Kommana","Nonstoichiometry induced by differential oxygen/ lone pair occupation in chiral bicyclic 1,1'-binaphthoxy cyclodiphosphazanes","Chemical Communications","2005","","","","","10.1039/b509327a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100525","9.7305","0.0014","15.256","0.002","17.737","0.003","90","","90","","90","","2633","0.7","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O4 P2 -","- C28 H30 N2 O4 P2 -","- C112 H120 N8 O16 P8 -","4","1","","K. C. Kumara Swamy; Manab Chakravarty; Praveen Kommana","Nonstoichiometry induced by differential oxygen/ lone pair occupation in chiral bicyclic 1,1'-binaphthoxy cyclodiphosphazanes","Chemical Communications","2005","","","","","10.1039/b509327a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100526","9.716","0.0008","15.1905","0.0012","17.8076","0.0014","90","","90","","90","","2628.2","0.4","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3.4 P2 -","- C28 H30 N2 O3.4 P2 -","- C112 H120 N8 O13.6 P8 -","4","1","","K. C. Kumara Swamy; Manab Chakravarty; Praveen Kommana","Nonstoichiometry induced by differential oxygen/ lone pair occupation in chiral bicyclic 1,1'-binaphthoxy cyclodiphosphazanes","Chemical Communications","2005","","","","","10.1039/b509327a","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100568","8.8438","0.0007","8.9335","0.0007","20.8095","0.0016","90","","90","","90","","1644.1","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Richard Hsung; Kevin P. Cole","Unique Structural Topology and Reactivities of the ABD Tricycle in Phomactin A.","Chemical Communications","2005","","","","","10.1039/b511338e","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100619","10.3888","0.0004","12.6906","0.0013","20.1427","0.0008","90","","90","","90","","2655.6","0.3","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 N P2 Rh -","- C26 H38 N P2 Rh -","- C104 H152 N4 P8 Rh4 -","4","1","","Oleg Ozerov","Skeletal Change In The PNP Pincer Ligand Leads To A Highly Regioselective Alkyne Dimerization Catalyst","Chemical Communications","2006","","","","","10.1039/b511148j","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7100659","11.3139","0.0005","14.837","0.0005","20.5961","0.0007","90","","90","","90","","3457.4","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 N O2 Si2 W -","- C35 H48 N O2 Si2 W -","- C140 H192 N4 O8 Si8 W4 -","4","1","","Rockshana Begum; Takashi Komuro; Hiromi Tobita","Group 6 metal xantsil complexes with a labile oxygen coordination and insertion of tBuCN into a W-Si bond [xantsil = (9,9-dimethylxantene- 4,5-diyl)bis(dimethylsilyl)]","Chemical Communications","2006","","","","","10.1039/b512759a","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100666","6.1923","0.0002","18.823","0.0008","38.868","0.002","90","","90","","90","","4530.4","0.3","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H64 N6 O9 -","- C42 H64 N6 O9 -","- C168 H256 N24 O36 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b513277k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100679","4.9816","0.0004","7.0344","0.0005","25.1874","0.0018","90","","90","","90","","882.63","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-methoxyphenyl sulfamate","","","- C7 H9 N O4 S -","- C7 H9 N O4 S -","- C28 H36 N4 O16 S4 -","4","1","","Spencer Williams; Emma Denehy; Jonathan M. White","Ground state structures of sulfate monoesters and sulfamates reveal similar reaction coordinates for sulfuryl and sulfamyl transfer","Chemical Communications","2006","","","","","10.1039/b513712h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100737","8.2331","0.0004","10.8651","0.0007","28.5582","0.0018","90","","90","","90","","2554.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O25 U3 -","- C12 H18 O25 U3 -","- C48 H72 O100 U12 -","4","1","","Pierre Thuery","Uranyl Ion Complexation by Citric and Tricarballylic Acids: Hydrothermal Synthesis and Structure of Two- and Three-Dimensional Uranium-Organic Frameworks","Chemical Communications","2006","","","","","10.1039/b516191f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100738","7.8259","0.0006","10.0351","0.0005","16.9494","0.0014","90","","90","","90","","1331.1","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Na O12 U -","- C6 H5 Na O12 U -","- C24 H20 Na4 O48 U4 -","4","1","","Pierre Thuery","Uranyl Ion Complexation by Citric and Tricarballylic Acids: Hydrothermal Synthesis and Structure of Two- and Three-Dimensional Uranium-Organic Frameworks","Chemical Communications","2006","","","","","10.1039/b516191f","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100774","7.363","0.002","9.422","0.003","13.976","0.004","90","","90","","90","","969.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Co N O7 -","- C7 H3 Co N O7 -","- C28 H12 Co4 N4 O28 -","4","1","","Shilun Qiu; Qianrong Fang; Jinyu Sun; Ge Tian; Yan Wei; Ming Xue; Xiaoyu Yang; Guangshan Zhu","A novel chiral layered Co(II) coordination polymer with helical chains from achiral materials","Chemical Communications","2005","","","","","10.1039/b417184e","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100780","10.399","0.001","15.885","0.001","17.064","0.001","90","","90","","90","","2818.8","0.4","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 Cl6 P Pd -","- C29 H23 Cl6 P Pd -","- C116 H92 Cl24 P4 Pd4 -","4","1","","","","Chemical Communications","2005","","","","","10.1039/b417716a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100781","6.191","0.001","19.168","0.003","21.858","0.004","90","","90","","90","","2593.9","0.8","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N,N,N',N'-tetramethyl-p-phenylenediamine.1,8- diiodioperfluorooctane","","","- C18 H16 F16 I2 N2 -","- C18 H16 F16 I2 N2 -","- C72 H64 F64 I8 N8 -","4","1","","Pierangelo Metrangolo; Emanuela Guido; Rosalba Liantonio; Hannes Neukirch; Tullio Pilati; Giuseppe Resnati","Spontaneous resolution in a halogen bonded supramolecular architecture","Chemical Communications","2005","","","","","10.1039/b417771a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100782","6.1995","0.001","19.159","0.003","21.862","0.003","90","","90","","90","","2596.7","0.7","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N,N,N',N'-tetramethyl-p-phenylenediamine.1,8- diiodioperfluorooctane","","","- C18 H16 F16 I2 N2 -","- C18 H16 F16 I2 N2 -","- C72 H64 F64 I8 N8 -","4","1","","Pierangelo Metrangolo; Emanuela Guido; Rosalba Liantonio; Hannes Neukirch; Tullio Pilati; Giuseppe Resnati","Spontaneous resolution in a halogen bonded supramolecular architecture","Chemical Communications","2005","","","","","10.1039/b417771a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100798","11.0468","0.0008","27.344","0.002","9.9797","0.0007","90","","90","","90","","3014.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N2 O5 -","- C36 H32 N2 O5 -","- C144 H128 N8 O20 -","4","1","","Reiko Kuroda; Yoshitane Imai; Tomohiro Sato; Masatoshi Takeshita","Successive optical resolution of two compounds by one enantiopure compound","Chemical Communications","2006","","","","","10.1039/b515009d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100799","9.5831","0.0006","18.4429","0.0012","19.5963","0.0012","90","","90","","90","","3463.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H42 N2 O6 -","- C40 H41 N2 O6 -","- C160 H164 N8 O24 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b515009d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100800","9.5068","0.0006","18.9504","0.0011","19.9816","0.0012","90","","90","","90","","3599.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 N2 O6 -","- C41 H44 N2 O6 -","- C164 H176 N8 O24 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b515009d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100801","9.5768","0.0008","18.6287","0.0016","19.514","0.0017","90","","90","","90","","3481.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H44 N2 O6 -","- C41 H43 N2 O6 -","- C164 H172 N8 O24 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b515009d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100802","9.6692","0.0005","18.7489","0.0011","19.8331","0.0011","90","","90","","90","","3595.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 N2 O6 -","- C42 H45 N2 O6 -","- C168 H180 N8 O24 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b515009d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100803","9.5777","0.0006","27.1971","0.0017","28.9068","0.0017","90","","90","","90","","7529.8","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C86 H96 N4 O12 -","- C86 H94 N4 O12 -","- C344 H376 N16 O48 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b515009d","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"7100813","10.8665","0.0003","11.1927","0.0003","34.5493","0.0012","90","","90","","90","","4202.1","0.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C184 H216 N8 O40 -","8","2","","Darren J. Dixon; A. Louise Tillman; Jinxing Ye.","Direct Enantio- and Diastereoselective Mannich Reactions of Malonate and a-Keto Esters with N-Boc- and N-Cbz-Aldimines Catalysed by a Bifunctional Cinchonine Derivative","Chemical Communications","2006","","","","","10.1039/b515725k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100817","10.3474","0.0002","12.5764","0.0002","20.7829","0.0003","90","","90","","90","","2704.54","0.08","180","","180","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 B3 O6 -","- C24 H39 B3 O6 -","- C96 H156 B12 O24 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b515902d","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100890","7.87","0.001","14.415","0.001","24.533","0.003","90","","90","","90","","2783.2","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 B N6 O3 Tl -","- C24 H40 B N6 O3 Tl -","- C96 H160 B4 N24 O12 Tl4 -","4","1","","","","Chemical Communications","2006","","","","","10.1039/b517640a","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277873","2022-09-15","11:31:04",""
"7100920","6.076","0.001","13.777","0.003","17.439","0.003","90","","90","","90","","1459.74","0.51","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Xie, Jian-Wu; Yue, Lei; Xue, Dong; Ma, Xiao-Li; Chen, Ying-Chun; Wu, Yong; Zhu, Jin; Deng, Jin-Gen","Organocatalytic and Direct Asymmetric Vinylogous Michael Addition of α,α-Dicyanoolefins to α,β-Unsaturated Aldehydes","Chemical Communications","2006","","","1563","1565","10.1039/b600647g","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100975","6.9962","0.0017","12.148","0.003","16.572","0.004","90","","90","","90","","1408.5","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 N6 O4 -","- C10 H20 N6 O4 -","- C40 H80 N24 O16 -","4","1","","John Holbrey; Alan R. Katritzky; Kostyantyn Kirichenko; W Matthew Reichert; Robin D. Rogers; Shailendra Singh; Marcin Smiglak","1-Butyl-3-methylimidazolium 3,5-dinitro-1,2,4-triazolate: A novel ionic liquid containing a rigid, planar energetic anion","Chemical Communications","2005","","","","","10.1039/b414683b","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7100999","9.607","0.003","8.634","0.003","30.371","0.009","90","","90","","90","","2519.2","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Quinine and Saccharin molecular complex","","","- C27 H29 N3 O5 S -","- C27 H29 N3 O5 S -","- C108 H116 N12 O20 S4 -","4","1","","Prashant M. Bhatt; Nittala V. Ravindra; Rahul Banerjee; Gautam R. Desiraju","Saccharin as a salt former. Enhanced solubilities of saccharinates of active pharmaceutical ingredients.","Chemical Communications","2005","","","","","10.1039/b416137h","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101045","14.4113","0.0003","16.9296","0.0004","21.1176","0.0005","90","","90","","90","","5152.2","0.2","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","porphyrin","","","- C60 H62 Cl Fe N4 O5 -","- C60 H62 Cl Fe N4 O5 -","- C240 H248 Cl4 Fe4 N16 O20 -","4","1","","Yoshiki Ohgo; Yuya Chiba; Daisuke Hashizume; Mikio Nakamura; Tomoji Ozeki; Hidehiro Uekusa","Novel spin transition between S=5/2 and S=3/2 in highly saddled iron(III) porphyrin complexes at extremely low temperature","Chemical Communications","2006","","","","","10.1039/b601412g","","","","","","","","","","","","","","","","","","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101075","5.7025","0.0011","8.5328","0.0017","14.781","0.003","90","","90","","90","","719.2","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 Cl N2 -","- C6 H9 Cl N2 -","- C24 H36 Cl4 N8 -","4","1","","Jonathan Steed; Kirsty Anderson; Andres E. Goeta; Kirsty S. B. Hancock","Unusual variations in the incidence of Z'>1 in oxo-anion structures","Chemical Communications","2006","","","","","10.1039/b602492k","","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101140","6.2563","0.0013","6.3951","0.0013","26.865","0.005","90","","90","","90","","1074.9","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-leucine.hydrochloride.hydrate","","","- C6 H16 Cl N O3 -","- C6 H16 Cl N O3 -","- C24 H64 Cl4 N4 O12 -","4","1","","Jerry L. Atwood; Scott J. Dalgarno; Michaele J. Hardie; Colin L. Raston","Confinement of amino acids: Selective single crystal p-sulfonatocalix[6]arene complexation of L or D-leucine","Chemical Communications","2005","","3","","","10.1039/b413821j","","","0.71073","MoKα","","0.0418","0.0343","","","0.0777","0.0818","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101141","18.5302","0.0008","21.3013","0.0008","24.4166","0.0011","90","","90","","90","","9637.7","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((L-leucine + H+)2Ip-sulfonatocalix(6)arene)(L-leucine + H+)4).3.25H2O","","","- C78 H120.5 N6 O39.25 S6 -","- C76.65 H94.5 N6 O39.25 S6 -","- C306.6 H378 N24 O157 S24 -","4","1","","Jerry L. Atwood; Scott J. Dalgarno; Michaele J. Hardie; Colin L. Raston","Confinement of amino acids: Selective single crystal p-sulfonatocalix[6]arene complexation of L or D-leucine","Chemical Communications","2005","","3","","","10.1039/b413821j","","","0.71073","MoKα","","0.1918","0.09","","","0.1986","0.2378","","","","","","1.216","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101147","15.1706","0.0003","20.1092","0.0004","21.632","0.0005","90","","90","","90","","6599.2","0.2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H104 Cl N9 O2 -","- C60 H84 Cl N9 -","- C240 H336 Cl4 N36 -","4","1","","Jonathan L. Sessler; Deqiang An.; Won-Seob Cho.; Vincent Lynch; Manual Marquez","Calix[4]bipyrrole - A big, flexible, yet effective chloride-selective anion receptor","Chemical Communications","2005","","4","","","10.1039/b412737d","","","0.71073","MoKα","","0.1756","0.0754","","","0.1322","0.1387","","","","","","1.849","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101161","6.4406","0.0002","14.9072","0.0005","42.412","0.001","90","","90","","90","","4072","0.2","153.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H56 Cu3 N2 O14 -","- C40 H56 Cu3 N2 O14 -","- C160 H224 Cu12 N8 O56 -","4","1","","Tomoaki Tanase; Merii Kato; Ajay Sah","Trinuclear coordinatively labile Cu(II) complex of 4,6-O-ethylidene-beta-D-glucopyranosylamine derived Schiff base ligand and its reactivity towards primary alcohols and amines","Chemical Communications","2005","","5","","","10.1039/b413923b","","","0.7107","MoKα","","","0.04","","","","0.05","","","","","","0.409","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101169","16.332","0.0012","21.0373","0.0015","23.4288","0.0019","90","","90","","90","","8049.7","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C84 H88 B2 F8 O8 P4 Rh2 -","- C84 H88 B2 F8 O8 P4 Rh2 -","- C336 H352 B8 F32 O32 P16 Rh8 -","4","1","","Miguel Rubio; Andres Suarez; Eleuterio Alvarez; Antonio Pizzano","Highly enantioselective hydrogenation of enol ester phosphonates catalyzed by rhodium phosphine-phosphite complexes.","Chemical Communications","2005","","5","","","10.1039/b414288h","","","0.71073","MoKα","","0.0932","0.0586","","","0.1393","0.163","","","","","","1.077","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101186","5.6207","0.0006","35.556","0.004","35.835","0.004","90","","90","","90","","7161.5","1.5","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-phenylalanyl-L-tryptophane 0.75 hydrate","L-phenylalanyl-L-tryptophane 0.75 hydrate","","- C20 H22.5 N3 O3.75 -","- C20 H22.5 N3 O3.75 -","- C320 H360 N48 O60 -","16","4","","C.H.Gorbitz","The structure of nanotubes formed by diphenylalanine, the core recognition motif of Alzheimer's beta-amyloid polypeptide","Chemical Communications","2006","","22","","","10.1039/b603080g","","","0.71073","MoKα","","0.2144","0.079","","","0.1387","0.1822","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7101218","7.2277","0.0014","14.583","0.003","15.656","0.003","90","","90","","90","","1650.2","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O -","- C20 H17 Br O -","- C80 H68 Br4 O4 -","4","1","","G. C. W. Fu; E. Bappert; Peter Muller","Asymmetric [3+2] Annulations Catalyzed by a Planar-Chiral Derivative of DMAP","Chemical Communications","2006","","24","","","10.1039/b603172b","","","0.71073","MoKα","","0.0437","0.0328","","","0.0694","0.0728","","","","","","0.971","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101243","9.676","0.003","12.826","0.004","17.434","0.006","90","","90","","90","","2163.6","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4,6-Bis-methylcabamoyl-2,2,8,8-Tetramethyl carbamoyl- nonanedioic acid bis-methylamide","","","- C19 H36 N4 O4 -","- C19 H36 N4 O4 -","- C76 H144 N16 O16 -","4","1","","Sanjayan Gangadhar; R. G. Gonnade; Amol Kendhale; P. R. Rajamohanan","Isotactic N-Acrylamide Oligomers Assume self-assembled Sheet Structure: First Unequivocal Evidence From Crystal Structures","Chemical Communications","2006","","26","","","10.1039/b601317a","","","0.71073","MoKα","","0.1227","0.0574","","","0.107","0.124","","","","","","0.961","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101256","8.2767","0.0008","10.7033","0.0012","29.205","0.003","90","","90","","90","","2587.2","0.5","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 Fe O4 P -","- C29 H31 Fe O4 P -","- C116 H124 Fe4 O16 P4 -","4","1","","Weiping Chen.; Stanley Roberts; John Whittall","Efficient and Highly Stereoselective Syntheses of New P-Chiral 1,5-Diphosphanylferrocene Ligands and Their Use in Enantioselective Hydrogenation","Chemical Communications","2006","","27","","","10.1039/b601952h","","","0.71073","MoKα","","0.0952","0.0586","","","0.1201","0.1319","","","","","","0.965","","","","has coordinates,has disorder","180114","2020-10-21","18:00:00",""
"7101280","7.6733","0.0006","13.63","0.002","15.8871","0.0019","90","","90","","90","","1661.6","0.3","120","2","120","2","","","","","","","ME Wood","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","Wood, Mark E.; Penny, Mark J.; Steere, Jenny S.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.","A general route to protected quaternary α-amino acids from β-amino alcohols via a stereocontrolled radical approach","Chemical Communications (Cambridge, United Kingdom)","2006","","28","2983","2985","10.1039/b604123j","","","0.71073","MoKα","","0.0345","0.0304","","","0.0723","0.0751","","","","","","1.063","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101294","8.353","0.001","13.073","0.001","24.181","0.001","90","","90","","90","","2640.5","0.4","198","2","198","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 F3 N2 O5 S2 -","- C23 H35 F3 N2 O5 S2 -","- C92 H140 F12 N8 O20 S8 -","4","1","","Dieter Hoppe; Roland Frohlich; Ravindra Sonawane","Highly Diastereoselective Formation and Reactions of a Non-Mesomerically Stabilized, Lithiated alpha-Thiocarbanion","Chemical Communications","2006","","29","","","10.1039/b604029b","","","0.71073","MoKα","","0.0536","0.0411","","","0.0941","0.0995","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101311","10.3767","0.0002","16.998","0.0004","17.8197","0.0004","90","","90","","90","","3143.09","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H61 Al N3 Na -","- C27 H61 Al N3 Na -","- C108 H244 Al4 N12 Na4 -","4","1","","R. E. Mulvey; Joaquin Garcia-Alvarez; D. Graham; Alan Kennedy; Susan Weatherstone","New reactivity and structural insights of alkali-metal-mediated alumination in directed ortho-alumination of a tertiary aromatic amide","Chemical Communications","2006","","30","","","10.1039/b606080c","","","0.71073","MoKα","","0.0674","0.0509","","","0.1115","0.1212","","","","","","1.059","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101314","10.0963","0.0012","13.7861","0.0016","19.923","0.002","90","","90","","90","","2773.1","0.6","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 Cl N2 O2 Rh S -","- C29 H36 Cl N2 O2 Rh S -","- C116 H144 Cl4 N8 O8 Rh4 S4 -","4","1","","M. Wills; Guy Clarkson; Daljit S. Matharu; David J. Morris","An outstanding catalyst for asymmetric transfer hydrogenation in aqueous solution and formic acid/triethylamine","Chemical Communications","2006","","30","","","10.1039/b606288a","","","0.71073","MoKα","","0.0309","0.0294","","","0.0712","0.0718","","","","","","1.141","","","","has coordinates","180115","2020-10-21","18:00:00",""
"7101318","12.5899","0.0016","13.1834","0.0017","20.085","0.002","90","","90","","90","","3333.7","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H45 N7 O3 -","- C33 H45 N7 O3 -","- C132 H180 N28 O12 -","4","1","","Jonathan Steed; Kirsty Anderson; Nigel Clarke; Judith A. Elder; Joseph T. Lenthall; Claire E. Stanley","Anion Binding Inhibition of the Formation of a Helical Organogel","Chemical Communications","2006","","30","","","10.1039/b606373j","","","0.71073","MoKα","","0.0366","0.0299","","","0.0602","0.0625","","","","","","1.037","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101360","4.8026","0.0015","7.891","0.003","35.162","0.011","90","","90","","90","","1332.6","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N -","- C17 H14 Cl N -","- C68 H56 Cl4 N4 -","4","1","","Kazuki Sada; Yuzo Fujiki; S.Shinkai; Nami Tokunaga","Face-Selective Decoration of an Organic Single Crystal toward Photochemical Devices","Chemical Communications","2006","","34","","","10.1039/b606085d","","","0.71073","MoKα","","0.0871","0.0629","","","0.1427","0.1606","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101412","9.7215","0.0014","21.165","0.004","25.864","0.004","90","","90","","90","","5321.8","1.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H45 Cl7 O6 P2 Pd -","- C56 H45 Cl7 O6 P2 Pd -","- C224 H180 Cl28 O24 P8 Pd4 -","4","1","","Baber, R. Angharad; Bedford, Robin B.; Betham, Michael; Blake, Michael E.; Coles, Simon J.; Haddow, Mairi F.; Hursthouse, Michael B.; Orpen, A. Guy; Pilarski, Lukasz T.; Pringle, Paul G.; Wingada, Richard L.","Chiral palladium bis(phosphite) PCP-pincer complexes via ligand C‒H activation","Chemical Communications (Cambridge, United Kingdom)","2006","","37","3880","3882","10.1039/b609704a","","","0.71073","MoKα","","0.0505","0.038","","","0.081","0.0861","","","","","","1.021","","","","has coordinates,has disorder","208980","2020-10-21","18:00:00",""
"7101457","7.5626","0.0011","12.1894","0.0015","12.239","0.004","90","","90","","90","","1128.2","0.4","298","2","298","2","0","","0","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0429","0.0384","","","0.0784","0.0817","","","","","","1.04","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101458","7.3362","0.0008","11.9411","0.0011","11.864","0.003","90","","90","","90","","1039.3","0.3","298","2","298","2","1260000","","1260000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0428","0.0389","","","0.0934","0.0993","","","","","","1.13","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101459","7.2357","0.0009","11.8141","0.0012","11.692","0.003","90","","90","","90","","999.5","0.3","298","2","298","2","2350000","","2350000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0404","0.036","","","0.0789","0.0842","","","","","","1.14","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101460","7.152","0.002","11.695","0.002","11.553","0.004","90","","90","","90","","966.3","0.5","298","2","298","2","3600000","","3600000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0449","0.035","","","0.0645","0.0706","","","","","","1.06","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101461","7.0777","0.0012","11.601","0.008","11.4241","0.001","90","","90","","90","","938","0.7","298","2","298","2","4250000","","4250000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.03","0.0294","","","0.0679","0.0681","","","","","","1.25","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101462","7.0624","0.0012","11.5835","0.0009","11.2892","0.0012","90","","90","","90","","923.5","0.2","298","2","298","2","4600000","","4600000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0416","0.0408","","","0.1021","0.1026","","","","","","1.14","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101463","7.0324","0.0008","11.5032","0.0011","11.223","0.003","90","","90","","90","","907.9","0.2","298","2","298","2","5350000","","5350000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.071","0.0689","","","0.1664","0.1685","","","","","","1.08","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101464","6.9416","0.0009","11.3535","0.0013","11.116","0.003","90","","90","","90","","876","0.3","298","2","298","2","7310000","","7310000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0506","0.0479","","","0.1113","0.1143","","","","","","1.07","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101465","6.9234","0.0009","11.3268","0.0011","11.089","0.002","90","","90","","90","","869.6","0.2","298","2","298","2","7680000","","7680000","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Cl2 Pd S3 -","- C6 H12 Cl2 Pd S3 -","- C24 H48 Cl8 Pd4 S12 -","4","1","","A. Blake; David Allan; Deguang Huang; Timothy J. Prior; M. Schroder","High pressure co-ordination chemistry of a palladium thioether complex: pressure versus electrons","Chemical Communications","2006","","39","","","10.1039/b606736k","","","0.8406","synchrotron","","0.0432","0.0404","","","0.0968","0.0993","","","","","","1.12","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101481","6.4778","0.0002","19.0155","0.0006","22.2824","0.0007","90","","90","","90","","2744.72","0.15","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(5-Amino-10,15,20-triphenylporphyrinato)nickel(ii)","(5-Amino-10,15,20-triphenylporphyrinato)nickel(II)","","- C38 H25 N5 Ni -","- C38 H25 N5 Ni -","- C152 H100 N20 Ni4 -","4","1","","Louisa J. Esdaile; D.P.Arnold; M.Senge","New palladium catalysed reactions of bromoporphyrins: synthesis and crystal structures of nickel(II) complexes of primary 5-aminoporphyrin, 5,5'-bis(porphyrinyl) secondary amine, and 5-hydroxyporphyrin","Chemical Communications","2006","","40","","","10.1039/b608365j","","","0.71073","MoKα","","0.0454","0.0344","","","0.0754","0.08","","","","","","0.993","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101490","11.1297","0.0006","13.4914","0.0007","28.0333","0.0014","90","","90","","90","","4209.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O4 -","- C21 H33 N O4 -","- C168 H264 N8 O32 -","8","2","","Goffredo Rosini; Claudia Ayoub; Valerio Borzatta; Emanuela Marotta; Andrea Mazzanti; Paolo Righi","p1,n1 Salts: Self Assembled Supramolecular Structures Sequestering Racemates","Chemical Communications","2006","","41","","","10.1039/b608405b","","","0.71073","MoKα","","0.069","0.0421","","","0.1034","0.1136","","","","","","1.03","","","","has coordinates","180116","2020-10-21","18:00:00",""
"7101491","7.3883","0.0008","10.1582","0.0011","28.935","0.003","90","","90","","90","","2171.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","crisantemico-ammina senza SMe","","","- C21 H33 N O4 -","- C21 H33 N O4 -","- C84 H132 N4 O16 -","4","1","","Goffredo Rosini; Claudia Ayoub; Valerio Borzatta; Emanuela Marotta; Andrea Mazzanti; Paolo Righi","p1,n1 Salts: Self Assembled Supramolecular Structures Sequestering Racemates","Chemical Communications","2006","","41","","","10.1039/b608405b","","","0.71073","MoKα","","0.0775","0.056","","","0.1323","0.1441","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101492","5.6144","0.0016","11.689","0.003","25.371","0.006","90","","90","","90","","1665.1","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Sean Bew; D. L. Hughes; Vladimir Savic; Katy M. Soapi; Martin A. Wilson","Stereoselective synthesis of N-alkylaziridines from N-chloroamines","Chemical Communications","2006","","41","","","10.1039/b608504k","","","0.71069","Mo-Kα","","0.0999","0.0557","","","0.1091","0.1391","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101496","7.562","0.0004","10.2674","0.0008","16.573","0.0011","90","","90","","90","","1286.76","0.15","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Yoshinao Tamaru; Masanari Kimura; Masahiko Mori; Yushi Takahashi","Nickel Catalyzed Grob Fragmentation: ?-Dienyl Aldehydes Synthesis","Chemical Communications","2006","","41","","","10.1039/b610164j","","","0.7107","MoK\/Ya","","","0.0601","","","","0.1596","","","","","","1.009","","","","has coordinates","277870","2022-09-15","11:09:06",""
"7101514","12.7865","0.0012","12.8135","0.0017","15.619","0.0019","90","","90","","90","","2559","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","P2Chlorocage","","","- C20 H30 Cl5 In P2 -","- C20 H30 Cl5 In P2 -","- C80 H120 Cl20 In4 P8 -","4","1","","Oliver C. Presly; Michael Green; John C. Jeffery; Eva Leiner; Martin Murray; Christopher A. Russell; Manfred Scheer; Ulf Vogel","The surprising and stereoselective formation of P2C10 cages by the reduction of Cp*PCl2","Chemical Communications","2006","","43","","","10.1039/b611484a","","","1.54178","CuKα","","0.0363","0.0357","","","0.0936","0.0942","","","","","","1.037","","","","has coordinates","180117","2020-10-21","18:00:00",""
"7101516","6.126","0.003","9.05","0.004","32.991","0.011","90","","90","","90","","1829","1.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O S -","- C22 H19 N O S -","- C88 H76 N4 O4 S4 -","4","1","","Masami Sakamoto; Tsutomu Fujita; Yoshio Kasashima; Hiroya Kawanishi; Takashi Mino","Photochemical asymmetric synthesis of quartenary chiral carbons using chiral-memory effect on beta-hydrogen abstraction by thiocarbonyl group","Chemical Communications","2006","","44","","","10.1039/b608513j","","","1.54178","CuKα","","0.0544","0.044","","","0.1187","0.1392","","","","","","0.67","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101518","9.857","0.003","11.082","0.003","17.126","0.005","90","","90","","90","","1870.8","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O S -","- C22 H18 N O S -","- C88 H72 N4 O4 S4 -","4","1","","Masami Sakamoto; Tsutomu Fujita; Yoshio Kasashima; Hiroya Kawanishi; Takashi Mino","Photochemical asymmetric synthesis of quartenary chiral carbons using chiral-memory effect on beta-hydrogen abstraction by thiocarbonyl group","Chemical Communications","2006","","44","","","10.1039/b608513j","","","1.54178","CuKα","","0.0615","0.0612","","","0.1447","0.1456","","","","","","0.75","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101519","9.7025","0.0007","9.9727","0.0007","20.1303","0.0015","90","","90","","90","","1947.8","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O S -","- C23 H21 N O S -","- C92 H84 N4 O4 S4 -","4","1","","Masami Sakamoto; Tsutomu Fujita; Yoshio Kasashima; Hiroya Kawanishi; Takashi Mino","Photochemical asymmetric synthesis of quartenary chiral carbons using chiral-memory effect on beta-hydrogen abstraction by thiocarbonyl group","Chemical Communications","2006","","44","","","10.1039/b608513j","","","0.71073","MoKα","","0.0437","0.0372","","","0.0534","0.0541","","","","","","2.209","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101520","9.6375","0.0005","10.0167","0.0005","20.0523","0.001","90","","90","","90","","1935.77","0.17","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Cl N O S -","- C22 H18 Cl N O S -","- C88 H72 Cl4 N4 O4 S4 -","4","1","","Masami Sakamoto; Tsutomu Fujita; Yoshio Kasashima; Hiroya Kawanishi; Takashi Mino","Photochemical asymmetric synthesis of quartenary chiral carbons using chiral-memory effect on beta-hydrogen abstraction by thiocarbonyl group","Chemical Communications","2006","","44","","","10.1039/b608513j","","","0.71073","MoKα","","0.0369","0.0346","","","0.0746","0.0752","","","","","","2.206","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101524","7.615","0.0009","13.9","0.0017","23.912","0.003","90","","90","","90","","2531","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 O4 Si -","- C24 H44 O4 Si -","- C96 H176 O16 Si4 -","4","1","","Alexander, Matthew D.; Fontaine, Shaun D.; La Clair, James J.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Burkart, Michael D.","Synthesis of the mycolactone core by ring-closing metathesis","Chemical Communications (Cambridge, United Kingdom)","2006","","44","4602","4604","10.1039/b609408b","","","0.71073","MoKα","","0.0658","0.0604","","","0.1021","0.1037","","","","","","1.23","","","","has coordinates","270069","2021-10-23","18:09:51",""
"7101532","5.2405","0.0001","16.2008","0.0004","17.6222","0.0005","90","","90","","90","","1496.13","0.06","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 F3 N3 O2 S -","- C14 H12 F3 N3 O2 S -","- C56 H48 F12 N12 O8 S4 -","4","1","","Suad Rashdan; Mark E. Light; Jeremy D. Kilburn","Pyridyl thioureas as switchable anion receptors","Chemical Communications","2006","","44","","","10.1039/b611138f","","","0.71073","MoKα","","0.0464","0.0377","","","0.0936","0.0987","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101562","4.691","0.0001","10.5327","0.0002","31.2403","0.0006","90","","90","","90","","1543.55","0.04","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C76 H68 N4 O12 -","4","1","","E.Merkul; T.J.J.Muller","A new consecutive three-component oxazole synthesis by an amidation‒coupling‒cycloisomerization (ACCI) sequence","Chemical Communications","2006","","46","","","10.1039/b610839c","","","0.71073","MoKα","","0.0483","0.0351","","","0.0739","0.0796","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101564","5.4987","0.0003","9.8391","0.0005","13.5025","0.0006","90","","90","","90","","730.52","0.06","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N O3 -","- C7 H9 N O3 -","- C28 H36 N4 O12 -","4","1","","S.Ley; Henriette M. Hansen; Deborah A. Longbottom","A new asymmetric organocatalytic nitrocyclopropanation reaction","Chemical Communications","2006","","46","","","10.1039/b612436b","","","0.71073","MoKα","","0.0614","0.0437","","","0.0808","0.0879","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101569","7.4389","0.0005","10.572","0.001","14.7775","0.001","90","","90","","90","","1162.16","0.16","213","2","213","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Silver(I) Methanesulfonate Complex with Pyridazino[4,5-d]pyridazine, Dihydrate","","- C7 H11 Ag N4 O5 S -","- C7 H11 Ag N4 O5 S -","- C28 H44 Ag4 N16 O20 S4 -","4","1","","I.Gural'skiy; P.V.Solntsev; H.Krautscheid; K.V.Domasevitch","Metal-organic frameworks exhibiting strong anion-pi interactions","Chemical Communications","2006","","46","","","10.1039/b612660j","","","0.71073","MoKα","","0.0244","0.0201","","","0.0425","0.0431","","","","","","0.952","","","","has coordinates","277870","2022-09-15","11:09:07",""
"7101589","11.634","0.002","12.065","0.002","50.23","0.01","90","","90","","90","","7050","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 Cl3 O8 -","- C35 H39 Cl3 O8 -","- C280 H312 Cl24 O64 -","8","2","","Boyd, Derek R.; Sharma, Narain D.; Belhocine, Tayeb; Malone, John F.; McGregor, Stuart; Allen, Christopher C. R.","Dioxygenase-catalysed dihydroxylation of arene cis-dihydrodiols and acetonide derivatives: a new approach to the synthesis of enantiopure tetraoxygenated bioproducts from arenes","Chemical Communications (Cambridge, United Kingdom)","2006","","47","4934","4936","10.1039/b612191h","","","0.71073","MoKα","","0.0995","0.0664","","","0.177","0.1982","","","","","","0.987","","","","has coordinates","208973","2020-10-21","18:00:00",""
"7101605","5.8024","0.0001","10.026","0.0001","25.3674","0.0004","90","","90","","90","","1475.74","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Caffeine-D-tartaric acid 1/1","Caffeine-D-tartaric acid 1/1","","- C12 H16 N4 O8 -","- C12 H16 N4 O8 -","- C48 H64 N16 O32 -","4","1","","W. Jones; Jonathan C. Burley; Laszlo Fabian; Tomislav Friscic; W. D. Sam Motherwell","Exploring cocrystal-cocrystal reactivity via liquid-assisted grinding: assembling of racemic and dismantling of enantiomeric cocrystals","Chemical Communications","2006","","48","","","10.1039/b613073a","","","0.71073","MoKα","","0.0289","0.0275","","","0.0685","0.0696","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101620","7.731","0.001","11.711","0.002","21.589","0.004","90","","90","","90","","1954.6","0.6","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl N O P Pd -","- C19 H23 Cl N O P Pd -","- C76 H92 Cl4 N4 O4 P4 Pd4 -","4","1","","Agostinho, Magno; Braunstein, Pierre","Structurally characterized intermediates in the stepwise insertion of CO-ethylene or CO-methyl acrylate into the metal-carbon bond of Pd(II) complexes stabilized by (phosphinomethyl)oxazoline ligands.","Chemical communications (Cambridge, England)","2007","","1","58","60","10.1039/b613865a","","","0.71073","MoKα","","0.0635","0.0397","","","0.103","0.1272","","","","","","0.863","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7101650","8.9714","0.0007","14.1418","0.0011","15.1487","0.0012","90","","90","","90","","1921.9","0.3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Cl N2 O3 -","- C21 H21 Cl N2 O3 -","- C84 H84 Cl4 N8 O12 -","4","1","","Lachia, Mathilde; Poriel, Cyril; Slawin, Alexandra M Z; Moody, Christopher J","The remarkable effect of the 7-substituent in the diastereoselective oxidative rearrangement of indoles: asymmetric synthesis of 3,3-disubstituted oxindoles.","Chemical communications (Cambridge, England)","2007","","3","286","288","10.1039/b613716d","","","0.71073","MoKα","","0.0224","0.0221","","","0.0554","0.0555","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101651","9.797","0.002","12.303","0.002","14.883","0.003","90","","90","","90","","1793.9","0.6","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 F N2 O3 -","- C21 H21 F N2 O3 -","- C84 H84 F4 N8 O12 -","4","1","","Lachia, Mathilde; Poriel, Cyril; Slawin, Alexandra M Z; Moody, Christopher J","The remarkable effect of the 7-substituent in the diastereoselective oxidative rearrangement of indoles: asymmetric synthesis of 3,3-disubstituted oxindoles.","Chemical communications (Cambridge, England)","2007","","3","286","288","10.1039/b613716d","","","0.71073","MoKα","","0.0414","0.0369","","","0.0812","0.0837","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101652","8.5669","0.0014","12.7503","0.0016","14.9","0.003","90","","90","","90","","1627.6","0.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br N2 O3 -","- C16 H19 Br N2 O3 -","- C64 H76 Br4 N8 O12 -","4","1","","Lachia, Mathilde; Poriel, Cyril; Slawin, Alexandra M Z; Moody, Christopher J","The remarkable effect of the 7-substituent in the diastereoselective oxidative rearrangement of indoles: asymmetric synthesis of 3,3-disubstituted oxindoles.","Chemical communications (Cambridge, England)","2007","","3","286","288","10.1039/b613716d","","","0.71073","MoKα","","0.023","0.0206","","","0.0468","0.0479","","","","","","0.776","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101678","14.5405","0.0003","25.0846","0.0003","38.3524","0.0008","90","","90","","90","","13988.8","0.4","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C69 H153 Mo12 N8 Na O78 P8 -","- C69 H110 Mo12 N8 Na O77.2 P8 -","- C276 H440 Mo48 N32 Na4 O308.8 P32 -","4","1","","Streb, Carsten; Long, De-Liang; Cronin, Leroy","Engineering porosity in a chiral heteropolyoxometalate-based framework: the supramolecular effect of benzenetricarboxylic acid.","Chemical communications (Cambridge, England)","2007","","5","471","473","10.1039/b613808j","","","0.71073","MoKα","","0.0992","0.0649","","","0.1465","0.1652","","","","","","1.028","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7101692","10.387","0.0001","11.1","0.0001","19.225","0.0003","90","","90","","90","","2216.56","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cl2 N2 O Pd -","- C20 H26 Cl2 N2 O Pd -","- C80 H104 Cl8 N8 O4 Pd4 -","4","1","","Rafii, Esfandiar; Dassonneville, Benjamin; Heumann, Andreas","Highly selective R,S-coordination of non racemic (1R,2R)-(1,2-dialkyl)-1,2-diamine cyclohexane derivatives to palladium dichloride.","Chemical communications (Cambridge, England)","2007","","6","583","585","10.1039/b613961b","","","0.71073","MoKα","","0.0253","0.0249","","","0.0712","0.0715","","","","","","1.151","","","","has coordinates","180118","2020-10-21","18:00:00",""
"7101710","9.528","0.0005","15.82","0.0008","20.141","0.001","90","","90","","90","","3035.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 N4 O3 -","- C33 H42 N4 O3 -","- C132 H168 N16 O12 -","4","1","","Betson, Mark S; Bracegirdle, Ann; Clayden, Jonathan; Helliwell, Madeleine; Lund, Andrew; Pickworth, Mark; Snape, Timothy J; Worrall, Christopher P","Achieving conformational control over C-C, C-N and C-O bonds in biaryls, N,N'-diarylureas and diaryl ethers: advantages of a relay axis.","Chemical communications (Cambridge, England)","2007","","7","754","756","10.1039/b614618j","","","0.71073","MoKα","","0.0415","0.0355","","","0.0841","0.0861","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101747","8.7081","0.0001","13.9372","0.0002","17.1214","0.0002","90","","90","","90","","2077.97","0.05","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H33 Br Ni O2 P2 -","- C15 H33 Br Ni O2 P2 -","- C60 H132 Br4 Ni4 O8 P8 -","4","1","","Pandarus, Valerica; Zargarian, Davit","New pincer-type diphosphinito (POCOP) complexes of NiII and NiIII.","Chemical communications (Cambridge, England)","2007","","9","978","980","10.1039/b613812h","","","1.54178","CuKα","","0.0322","0.0298","","","0.0698","0.0709","","","","","","0.986","","","","has coordinates","180119","2020-10-21","18:00:00",""
"7101757","19.3308","0.0006","26.0589","0.0008","36.1281","0.0012","90","","90","","90","","18199.1","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C108 H257 N15 Na2 Ni16 O89 -","- C108 H209 N15 Na2 Ni16 O89 -","- C432 H836 N60 Na8 Ni64 O356 -","4","1","","Biswas, Biplab; Khanra, Sumit; Weyhermüller, Thomas; Chaudhuri, Phalguni","A one-pot synthesis of a paramagnetic high-nuclearity nickel(II) cluster: an octadecanuclear Ni(II)16Na(I)2 metal aggregate.","Chemical communications (Cambridge, England)","2007","","10","1059","1061","10.1039/b613782b","","","0.71073","MoKα","","0.1061","0.0794","","","0.148","0.1592","","","","","","1.139","","","","has coordinates,has disorder","180119","2020-10-21","18:00:00",""
"7101760","6.122","0.003","15.768","0.002","17.431","0.002","90","","90","","90","","1682.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C72 H100 N4 O8 -","4","1","","Craig, Donald; King, N Paul; Mountford, David M","Silyl-modified Bellus-Claisen rearrangement.","Chemical communications (Cambridge, England)","2007","","10","1077","1079","10.1039/b614535c","","","1.54178","CuKα","","0.0816","0.0552","","","0.1474","0.1679","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101782","12.0604","0.0004","14.3581","0.0005","20.1013","0.0007","90","","90","","90","","3480.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H12 B11 Cl11 F6 -","- C21 H12 B11 Cl11 F6 -","- C84 H48 B44 Cl44 F24 -","4","1","","Douvris, Christos; Stoyanov, Evgenii S; Tham, Fook S; Reed, Christopher A","Isolating fluorinated carbocations.","Chemical communications (Cambridge, England)","2007","","11","1145","1147","10.1039/b617606b","","","0.71073","MoKα","","0.0606","0.0452","","","0.0817","0.0878","","","","","","1.029","","","","has coordinates,has disorder","180119","2020-10-21","18:00:00",""
"7101799","5.5529","0.0006","14.4502","0.0016","22.426","0.003","90","","90","","90","","1799.5","0.4","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C72 H96 O28 -","4","1","","Wang, Yajun; Shen, Zongxuan; Li, Bin; Zhang, Yong; Zhang, Yawen","Dynamic kinetic resolution of 2-oxo-3-aryl-succinates by organocatalyzed aldolization.","Chemical communications (Cambridge, England)","2007","","12","1284","1286","10.1039/b616382c","","","0.7107","MoKα","","0.034","0.0335","","","0.0826","0.0831","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101855","10.1974","0.0005","12.5011","0.0006","21.8192","0.001","90","","90","","90","","2781.5","0.2","223","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2b","(S)-2b","","- C34 H30 N2 O4 -","- C34 H30 N2 O4 -","- C136 H120 N8 O16 -","4","1","","Sakamoto, Masami; Unosawa, Atsushi; Kobaru, Shuichiro; Hasegawa, Yasuhiro; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Diastereoselective photocycloaddition using memory effect of molecular chirality controlled by crystallization.","Chemical communications (Cambridge, England)","2007","","16","1632","1634","10.1039/b617888j","","","0.71073","MoKα","","0.0678","0.0418","","","0.1095","0.1332","","","","","","0.768","","","","has coordinates","180120","2020-10-21","18:00:00",""
"7101859","10.38","0.002","17.783","0.003","22.035","0.004","90","","90","","90","","4067.2","1.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H74 N4 Na2 O2 Zn2 -","- C34 H74 N4 Na2 O2 Zn2 -","- C136 H296 N16 Na8 O8 Zn8 -","4","1","","Clegg, William; Dale, Sophie H; Graham, David V; Harrington, Ross W; Hevia, Eva; Hogg, Lorna M; Kennedy, Alan R; Mulvey, Robert E","Structural variations in bimetallic sodium-magnesium and sodium-zinc ketimides, and a sodium-zinc alkide-alkoxide-amide: connections to ring-stacking, ring-laddering, and inverse crown concepts.","Chemical communications (Cambridge, England)","2007","","16","1641","1643","10.1039/b618609b","","","0.71073","MoKα","","0.0588","0.0493","","","0.109","0.1134","","","","","","1.152","","","","has coordinates","180120","2020-10-21","18:00:00",""
"7101870","15.7008","0.0009","16.1532","0.0009","19.0307","0.0011","90","","90","","90","","4826.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C82 H16 N2 O2 S5 -","- C82 H16 N2 O2 S5 -","- C328 H64 N8 O8 S20 -","4","1","","Chuang, Shih-Ching; Murata, Yasujiro; Murata, Michihisa; Komatsu, Koichi","The outside knows the difference inside: trapping helium by immediate reduction of the orifice size of an open-cage fullerene and the effect of encapsulated helium and hydrogen upon the NMR of a proton directly attached to the outside.","Chemical communications (Cambridge, England)","2007","","17","1751","1753","10.1039/b702589k","","","0.71073","MoKα","","0.0618","0.043","","","0.0666","0.0696","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101923","6.7302","0.0004","9.0666","0.0006","9.8149","0.0004","90","","90","","90","","598.91","0.06","293","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 N2 O S -","- C4 H6 N2 O S -","- C16 H24 N8 O4 S4 -","4","1","","Seenivasaperumal, Muthu; Federsel, Hans-Jürgen; Ertan, Anne; Szabó, Kálmán J","Factors influencing the selectivity in asymmetric oxidation of sulfides attached to nitrogen containing heterocycles.","Chemical communications (Cambridge, England)","2007","","21","2187","2189","10.1039/b700860k","","","0.71073","MoKα","","0.0644","0.0368","","","0.0789","0.0844","","","","","","0.891","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7101989","6.2521","0.0003","9.3237","0.0017","20.809","0.004","90","","90","","90","","1213","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C56 H64 O12 -","4","1","","Marson, Charles M; Edaan, Esra; Morrell, James M; Coles, Simon J; Hursthouse, Michael B; Davies, David T","A catalytic asymmetric protocol for the enantioselective synthesis of 3(2H)-furanones.","Chemical communications (Cambridge, England)","2007","","24","2494","2496","10.1039/b701548h","","","0.71073","MoKα","","0.0318","0.0306","","","0.1038","0.1059","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102028","8.3069","0.0003","17.0302","0.0006","23.6466","0.0009","90","","90","","90","","3345.2","0.2","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 Br3 In N2 O8 -","- C24 H38 Br3 In N2 O7.65 -","- C96 H152 Br12 In4 N8 O30.6 -","4","1","","Nandakumar, Mecheril Valsan; Tschöp, Andreas; Krautscheid, Harald; Schneider, Christoph","Indium-bipyridine-catalyzed, enantioselective thiolysis of meso-epoxides.","Chemical communications (Cambridge, England)","2007","","26","2756","2758","10.1039/b703625f","","","0.71073","MoKα","","0.0407","0.0365","","","0.0877","0.0892","","","","","","1.109","","","","has coordinates,has disorder","180122","2020-10-21","18:00:00",""
"7102045","9.5774","0.0012","11.8132","0.0015","14.7182","0.0018","90","","90","","90","","1665.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Cd N4 O5 -","- C15 H16 Cd N4 O5 -","- C60 H64 Cd4 N16 O20 -","4","1","","Ingleson, Michael J; Bacsa, John; Rosseinsky, Matthew J","Homochiral H-bonded proline based metal organic frameworks.","Chemical communications (Cambridge, England)","2007","","29","3036","3038","10.1039/b706557d","","","0.7848","synchrotron","","0.0505","0.0464","","","0.0872","0.0899","","","","","","0.984","","","","has coordinates","180122","2020-10-21","18:00:00",""
"7102066","6.5446","0.0001","25.6151","0.0005","26.3379","0.0006","90","","90","","90","","4415.3","0.15","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Compound 5","","","- C20 H22 Cl2 Cu N4 O7 -","- C20 H22 Cl2 Cu N4 O7 -","- C160 H176 Cl16 Cu8 N32 O56 -","8","2","","White, Kimberly N; Sen, Indranil; Szundi, Istvan; Landaverry, Yakira R; Bria, Lauren E; Konopelski, Joseph P; Olmstead, Marilyn M; Einarsdóttir, Olöf","Synthesis and structural characterization of cross-linked histidine-phenol Cu(ii) complexes as cytochrome c oxidase active site models.","Chemical communications (Cambridge, England)","2007","","31","3252","3254","10.1039/b703835f","","","0.71073","MoKα","","0.0258","0.0241","","","0.0628","0.064","","","","","","1.01","","","","has coordinates","180122","2020-10-21","18:00:00",""
"7102067","6.6563","0.0011","16.198","0.003","20.176","0.003","90","","90","","90","","2175.4","0.6","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(CuL)(ClO4) , L = 2-(S )-((2-pyridylmethyl)methylamino) -3-(1- (hydroxy)phenyl)-imidazol-4(5)-yl)- propyl methyl ether","","","- C20 H24 Cl2 Cu N4 O6 -","- C20 H24 Cl2 Cu N4 O6 -","- C80 H96 Cl8 Cu4 N16 O24 -","4","1","","White, Kimberly N; Sen, Indranil; Szundi, Istvan; Landaverry, Yakira R; Bria, Lauren E; Konopelski, Joseph P; Olmstead, Marilyn M; Einarsdóttir, Olöf","Synthesis and structural characterization of cross-linked histidine-phenol Cu(ii) complexes as cytochrome c oxidase active site models.","Chemical communications (Cambridge, England)","2007","","31","3252","3254","10.1039/b703835f","","","0.71073","MoKα","","0.0492","0.0352","","","0.0804","0.0895","","","","","","1.028","","","","has coordinates","180122","2020-10-21","18:00:00",""
"7102103","7.6281","0.0015","11.856","0.002","14.408","0.003","90","","90","","90","","1303","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Sakamoto, Masami; Unosawa, Atsushi; Kobaru, Shuichiro; Fujita, Kazuyuki; Mino, Takashi; Fujita, Tsutomu","An asymmetric SNAr reaction using the molecular chirality in a crystal","Chemical Communications (Cambridge, United Kingdom)","2007","","34","3586","3588","10.1039/b706426h","","","0.71073","MoKα","","0.0351","0.0339","","","0.0937","0.0955","","","","","","0.735","","","","has coordinates","210567","2020-10-21","18:00:00",""
"7102104","5.865","0.0002","19.1247","0.0007","29.468","0.0011","90","","90","","90","","3305.3","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H47 N O4 -","- C37 H47 N O4 -","- C148 H188 N4 O16 -","4","1","","Koutsaplis, Magdaline; Andrews, Philip C.; Bull, Steven D.; Duggan, Peter J.; Fraser, Benjamin H.; Jensen, Paul","A new diastereoselective aza-allyl conjugate addition‒Michael addition‒ring closure reaction sequence and its application in the construction of six contiguous stereogenic centres","Chemical Communications (Cambridge, United Kingdom)","2007","","34","3580","3582","10.1039/b707707f","","","0.71073","MoKα","","0.0525","0.0363","","","0.0752","0.082","","","","","","1.028","","","","has coordinates","210643","2020-10-21","18:00:00",""
"7102116","8.969","0.0005","16.1071","0.0009","21.0597","0.0011","90","","90","","90","","3042.4","0.3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H37 Cl N2 O4 -","- C35 H37 Cl N2 O4 -","- C140 H148 Cl4 N8 O16 -","4","1","","Holschumacher, Dirk; Hrib, Cristian G; Jones, Peter G; Tamm, Matthias","A stable chiral diaminocyclopropenylidene.","Chemical communications (Cambridge, England)","2007","","35","3661","3663","10.1039/b706708a","","","0.71073","MoKα","","0.0891","0.0437","","","0.0851","0.0981","","","","","","0.96","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102130","8.721","0.004","10.414","0.004","13.992","0.005","90","","90","","90","","1270.8","0.9","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N3 O6 -","- C12 H17 N3 O6 -","- C48 H68 N12 O24 -","4","1","","Miyashita, Kazuyuki; Rahman, S M Abdur; Seki, Sayori; Obika, Satoshi; Imanishi, Takeshi","N-Methyl substituted 2',4'- BNANC: a highly nuclease-resistant nucleic acid analogue with high-affinity RNA selective hybridization.","Chemical communications (Cambridge, England)","2007","","36","3765","3767","10.1039/b707352f","","","0.71075","MoKα","","","0.0291","","","","0.0699","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102199","5.2434","0.0005","9.32","0.0009","28.332","0.003","90","","90","","90","","1384.5","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 O2 -","- C16 H24 O2 -","- C64 H96 O8 -","4","1","","Clark, J Stephen; Guérot, Carine; Wilson, Claire; Blake, Alexander J","Rapid synthesis of medium-ring fused polycarbocyclic systems by rearrangement of carbenoid-derived oxonium ylides.","Chemical communications (Cambridge, England)","2007","","40","4134","4136","10.1039/b709064a","","","0.71073","MoKα","","0.0457","0.0406","","","0.0997","0.1021","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102209","9.165","0.002","16.668","0.003","20.548","0.004","90","","90","","90","","3138.9","1","93.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H59 N O5 -","- C32 H59 N O5 -","- C128 H236 N4 O20 -","4","1","","Aburaya, Kazuaki; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Dependence of the enantioselectivity on reversion of layer directions in cholamide inclusion compounds","Chemical Communications (Cambridge, United Kingdom)","2007","","41","4257","4259","10.1039/b705822e","","","1.5419","CuKα","","","0.0493","","","","0.1347","","","","","","0.564","","","","has coordinates","210747","2020-10-21","18:00:00",""
"7102235","7.022","0.007","7.332","0.008","38.75","0.04","90","","90","","90","","1995","4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Br N3 O3 S2 -","- C16 H24 Br N3 O3 S2 -","- C64 H96 Br4 N12 O12 S8 -","4","1","","Xu, Dan Qian; Luo, Shu Ping; Wang, Yi Feng; Xia, Ai Bao; Yue, Hua Dong; Wang, Li Ping; Xu, Zhen Yuan","Organocatalysts wrapped around by poly(ethylene glycol)s (PEGs): a unique host-guest system for asymmetric Michael addition reactions.","Chemical communications (Cambridge, England)","2007","","42","4393","4395","10.1039/b708525g","","","0.71073","MoKα","","0.0869","0.0648","","","0.1477","0.1581","","","","","","0.918","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102251","6.9647","0.0009","7.2634","0.001","23.219","0.003","90","","90","","90","","1174.6","0.3","296.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Kimura, Masanari; Mori, Masahiko; Tamaru, Yoshinao","Palladium-catalyzed 1,3-diol fragmentation: synthesis of omega-dienyl aldehydes.","Chemical communications (Cambridge, England)","2007","","43","4504","4506","10.1039/b708526e","","","0.7107","MoKα","","","0.0491","","","","0.1066","","","","","","0.815","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102266","9.677","0.006","13.617","0.01","21.66","0.015","90","","90","","90","","2854","3","170","2","170","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 F6 Mn N4 O6 S2 -","- C24 H22 F6 Mn N4 O6 S2 -","- C96 H88 F24 Mn4 N16 O24 S8 -","4","1","","Nehru, Kasi; Kim, Soo Jeong; Kim, In Young; Seo, Mi Sook; Kim, Youngmee; Kim, Sung-Jin; Kim, Jinheung; Nam, Wonwoo","A highly efficient non-heme manganese complex in oxygenation reactions.","Chemical communications (Cambridge, England)","2007","","44","4623","4625","10.1039/b708976g","","","0.71073","MoKα","","0.1472","0.0483","","","0.0737","0.0966","","","","","","0.807","","","","has coordinates","180124","2020-10-21","18:00:00",""
"7102329","11.614","0.002","17.324","0.004","38.299","0.008","90","","90","","90","","7706","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 Ag Al F36 O4 P8 -","- C16 Ag Al F36 O4 P8 -","- C128 Ag8 Al8 F288 O32 P64 -","8","2","","Santiso-Quiñones, Gustavo; Reisinger, Andreas; Slattery, John; Krossing, Ingo","Homoleptic Cu-phosphorus and Cu-ethene complexes.","Chemical communications (Cambridge, England)","2007","","47","5046","5048","10.1039/b710899k","","","0.71073","MoKα","","0.0784","0.0649","","","0.1302","0.1369","","","","","","1.222","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102331","11.7609","0.0018","16.9425","0.0015","38.266","0.004","90","","90","","90","","7624.8","1.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 Al Cu F36 O4 P8 -","- C16 Al Cu F36 O4 P8 -","- C128 Al8 Cu8 F288 O32 P64 -","8","2","","Santiso-Quiñones, Gustavo; Reisinger, Andreas; Slattery, John; Krossing, Ingo","Homoleptic Cu-phosphorus and Cu-ethene complexes.","Chemical communications (Cambridge, England)","2007","","47","5046","5048","10.1039/b710899k","","","0.71073","MoKα","","0.0671","0.0506","","","0.106","0.1152","","","","","","1.187","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7102333","12.2567","0.001","12.505","0.001","31.988","0.003","90","","90","","90","","4902.8","0.7","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H68 Lu N3 O3 -","- C47 H68 Lu N3 O3 -","- C188 H272 Lu4 N12 O12 -","4","1","","Panda, Tarun K; Randoll, Sören; Hrib, Cristian G; Jones, Peter G; Bannenberg, Thomas; Tamm, Matthias","Syntheses and structures of mononuclear lutetium imido complexes with very short Lu-N bonds.","Chemical communications (Cambridge, England)","2007","","47","5007","5009","10.1039/b711669a","","","0.71073","MoKα","","0.0354","0.0308","","","0.0731","0.0748","","","","","","1.04","","","","has coordinates","180125","2020-10-21","18:00:00",""
"7102383","8.2352","0.0004","14.0673","0.0005","17.2845","0.0008","90","","90","","90","","2002.36","0.15","91","1","91","1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F3 N3 O5 -","- C20 H18 F3 N3 O5 -","- C80 H72 F12 N12 O20 -","4","1","","Santoro, Stefano; Poulsen, Thomas B; Jørgensen, Karl Anker","Enantioselective organocatalytic substitution of alpha-cyanoacetates on imidoyl chlorides‒synthesis of optically active ketimines.","Chemical communications (Cambridge, England)","2007","","48","5155","5157","10.1039/b715810f","","x-ray","1.54178","CuKα","","0.0331","0.031","","","0.0769","0.0778","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102440","10.114","0.004","15.598","0.002","24.412","0.003","90","","90","","90","","3851.2","1.7","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Aquarubidium(18-crown-6)) imidobis(diphenylphosphinate-O,O')","[Aquarubidium(18-crown-6)] imidobis(diphenylphosphinate-O,O')","","- C36 H46 N O9 P2 Rb -","- C36 H46 N O9 P2 Rb -","- C144 H184 N4 O36 P8 Rb4 -","4","1","","Hernández-Arganis, Michelle; Hernández-Ortega, Simón; Toscano, Rubén A; García-Montalvo, Verónica; Cea-Olivares, Raymundo","A powerful novel strategy for the preparation of discrete inorganic carbon-free rings containing alkaline cations.","Chemical communications (Cambridge, England)","2004","","3","310","311","10.1039/b311524k","","","0.71073","MoKα","","0.2032","0.0844","","","0.1658","0.2338","","","","","","1.007","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102441","10.059","0.001","15.769","0.003","24.871","0.003","90","","90","","90","","3945","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Aquacesium(18-crown-6)) imidobis(diphenylphosphinate-O,O')","[Aquacesium(18-crown-6)] imidobis(diphenylphosphinate-O,O')","","- C36 H46 Cs N O9 P2 -","- C36 H46 Cs N O9 P2 -","- C144 H184 Cs4 N4 O36 P8 -","4","1","","Hernández-Arganis, Michelle; Hernández-Ortega, Simón; Toscano, Rubén A; García-Montalvo, Verónica; Cea-Olivares, Raymundo","A powerful novel strategy for the preparation of discrete inorganic carbon-free rings containing alkaline cations.","Chemical communications (Cambridge, England)","2004","","3","310","311","10.1039/b311524k","","","0.71073","MoKα","","0.092","0.0586","","","0.1424","0.1797","","","","","","1.048","","","","has coordinates","180126","2020-10-21","18:00:00",""
"7102444","13.609","0.006","26.75","0.01","5.416","0.005","90","","90","","90","","1971","2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H26 N4 O12 Pb -","- C10 H26 N4 O12 Pb -","- C40 H104 N16 O48 Pb4 -","4","1","","Burford, Neil; Eelman, Melanie D; LeBlanc, Wesley G; Cameron, T Stanley; Robertson, Katherine N","Definitive identification of lead(II)-amino acid adducts and the solid state structure of a lead-valine complex.","Chemical communications (Cambridge, England)","2004","","3","332","333","10.1039/b311599b","","","0.7107","MoKα","","0.1622","0.0427","","","0.1092","0.1494","","","","","","0.966","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102468","13.3625","0.0004","16.2726","0.0005","19.4817","0.0007","90","","90","","90","","4236.2","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C192 H224 N16 O32 -","8","2","","Alonso, A Mateo; Horcajada, Roberto; Groombridge, Helen J; Mandalia, Reshma; Motevalli, Majid; Utley, James H P; Wyatt, Peter B","Generation of strong, homochiral bases by electrochemical reduction of phenazine derivatives.","Chemical communications (Cambridge, England)","2004","","4","412","413","10.1039/b313995f","","","0.71073","MoKα","","0.1842","0.0844","","","0.197","0.2376","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102469","10.0266","0.0003","11.8433","0.0004","14.9627","0.0005","90","","90","","90","","1776.79","0.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C80 H88 N8 O20 -","4","1","","Alonso, A Mateo; Horcajada, Roberto; Groombridge, Helen J; Mandalia, Reshma; Motevalli, Majid; Utley, James H P; Wyatt, Peter B","Generation of strong, homochiral bases by electrochemical reduction of phenazine derivatives.","Chemical communications (Cambridge, England)","2004","","4","412","413","10.1039/b313995f","","","0.71073","MoKα","","0.0661","0.0412","","","0.0841","0.0927","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102498","11.977","0.002","15.047","0.003","21.319","0.004","90","","90","","90","","3842.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N8 O16 -","- C32 H38 N8 O16 -","- C128 H152 N32 O64 -","4","1","","Tosin, Manuela; Müller-Bunz, Helge; Murphy, Paul V","Synthesis and X-ray single crystal structure of a bivalent glycocluster.","Chemical communications (Cambridge, England)","2004","","5","494","495","10.1039/b313934d","","","0.71073","MoKα","","0.1456","0.0937","","","0.226","0.2455","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102502","8.9795","0.0009","14.313","0.001","18.102","0.002","90","","90","","90","","2326.5","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-tert-butyl 2-(phenyl[2-trifluoromethyl)phenyl]phosphorothioyl)benzoat","","- C24 H22 F3 O2 P S -","- C24 H22 F3 O2 P S -","- C96 H88 F12 O8 P4 S4 -","4","1","","Korff, Christian; Helmchen, Gunter","Preparation of chiral triarylphosphines by Pd-catalysed asymmetric P-C cross-coupling.","Chemical communications (Cambridge, England)","2004","","5","530","531","10.1039/b315009g","","","0.71073","MoKα","","0.055","0.052","","","0.1042","0.1052","","","","","","1.267","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102505","7.174","0.001","9.678","0.001","28.887","0.001","90","","90","","90","","2005.6","0.4","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl Fe N O2 Pt S -","- C18 H25 Cl Fe N O2 Pt S -","- C72 H100 Cl4 Fe4 N4 O8 Pt4 S4 -","4","1","","López, Concepción; Caubet, Amparo; Pérez, Sonia; Solans, Xavier; Font-Bardía, Mercè","Easy access to diastereomerically pure platinacycles.","Chemical communications (Cambridge, England)","2004","","5","540","541","10.1039/b315157c","","","0.71069","MoKα","","0.0388","0.0371","","0.0876","0.0868","","","","1.092","1.109","1.109","","","","","has coordinates","180127","2020-10-21","18:00:00",""
"7102508","6.0476","0.0007","11.4445","0.0007","19.263","0.003","90","","90","","90","","1333.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Armstrong, Alan; Scutt, James N","Total synthesis of (+)-belactosin A.","Chemical communications (Cambridge, England)","2004","","5","510","511","10.1039/b316142k","","","1.54178","CuKα","","0.0617","0.0509","","","0.1389","0.1479","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102569","10.42","0.002","17.208","0.004","7.519","0.002","90","","90","","90","","1348.3","0.6","298","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Sakamoto, Masami; Kobaru, Shuichiro; Mino, Takashi; Fujita, Tsutomu","Absolute asymmetric synthesis by nucleophilic carbonyl addition using chiral crystals of achiral amides.","Chemical communications (Cambridge, England)","2004","","8","1002","1003","10.1039/b315729f","","","1.54178","CuKα","","0.051","0.046","","0.151","0.15","0.15","","","0.845","0.722","0.722","0.722","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102570","10.937","0.005","13.987","0.005","9.896","0.004","90","","90","","90","","1513.8","1","298","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Sakamoto, Masami; Kobaru, Shuichiro; Mino, Takashi; Fujita, Tsutomu","Absolute asymmetric synthesis by nucleophilic carbonyl addition using chiral crystals of achiral amides.","Chemical communications (Cambridge, England)","2004","","8","1002","1003","10.1039/b315729f","","","1.54178","CuKα","","0.059","0.059","","0.346","0.346","0.346","","","0.497","0.462","0.462","0.462","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102571","14.384","0.004","16.234","0.005","8.049","0.004","90","","90","","90","","1879.6","1.2","298","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O2 -","- C23 H21 N O2 -","- C92 H84 N4 O8 -","4","1","","Sakamoto, Masami; Kobaru, Shuichiro; Mino, Takashi; Fujita, Tsutomu","Absolute asymmetric synthesis by nucleophilic carbonyl addition using chiral crystals of achiral amides.","Chemical communications (Cambridge, England)","2004","","8","1002","1003","10.1039/b315729f","","","1.54178","CuKα","","0.042","0.037","","0.098","0.097","0.097","","","0.724","0.599","0.599","0.599","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102579","15.53","0.0002","21.487","0.0002","26.613","0.0003","90","","90","","90","","8880.57","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H90.5 Cl5.5 Fe3 N6 O5 -","- C79.998 H74.556 Cl5.444 Fe3 N6 O5 -","- C319.992 H298.224 Cl21.776 Fe12 N24 O20 -","4","1","","Hong, Bog Ki; Lee, In Su; Shin, Dong Mok; Chung, Young Keun","A chiral molecular bowl containing three ferrocenes: synthesis and its efficiency in an optical resolution of 1,1'-bi-2-naphthol.","Chemical communications (Cambridge, England)","2004","","8","936","937","10.1039/b316520e","","","0.71073","MoKα","","0.2539","0.096","","","0.181","0.2431","","","","","","1.006","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102580","13.586","0.001","20.43","0.001","25.727","0.001","90","","90","","90","","7140.8","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H80 Cl2 Fe3 N6 O4 -","- C75 H78 Cl1.998 Fe3 N6 O4 -","- C300 H312 Cl7.992 Fe12 N24 O16 -","4","1","","Hong, Bog Ki; Lee, In Su; Shin, Dong Mok; Chung, Young Keun","A chiral molecular bowl containing three ferrocenes: synthesis and its efficiency in an optical resolution of 1,1'-bi-2-naphthol.","Chemical communications (Cambridge, England)","2004","","8","936","937","10.1039/b316520e","","","0.71073","MoKα","","0.1039","0.0546","","","0.1087","0.1273","","","","","","1.008","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102581","11.836","0.0002","16.483","0.0003","34.766","0.0005","90","","90","","90","","6782.6","0.19","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C79 H70 Cl2 Fe3 N6 O -","- C78.995 H70 Cl2 Fe3 N6 O -","- C315.98 H280 Cl8 Fe12 N24 O4 -","4","1","","Hong, Bog Ki; Lee, In Su; Shin, Dong Mok; Chung, Young Keun","A chiral molecular bowl containing three ferrocenes: synthesis and its efficiency in an optical resolution of 1,1'-bi-2-naphthol.","Chemical communications (Cambridge, England)","2004","","8","936","937","10.1039/b316520e","","","0.71073","MoKα","","0.1423","0.0521","","","0.0665","0.0829","","","","","","0.964","","","","has coordinates,has disorder","180127","2020-10-21","18:00:00",""
"7102587","8.2367","0.0003","8.9543","0.0004","14.8873","0.0007","90","","90","","90","","1098","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","oso2","oso2","","- C7 H11 N O7 S -","- C7 H11 N O7 S -","- C28 H44 N4 O28 S4 -","4","1","","Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Jiménez-Osés, Gonzalo; Peregrina, Jesús M","SN2 vs. E2 on quaternary centres: an application to the synthesis of enantiopure beta2,2-amino acids.","Chemical communications (Cambridge, England)","2004","","8","980","981","10.1039/b400282b","","","0.71073","MoKα","","0.1139","0.0591","","","0.1301","0.1591","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102588","8.8646","0.0003","10.9014","0.0004","12.4336","0.0005","90","","90","","90","","1201.54","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","OSO1","OSO1","","- C8 H14 N2 O7 S -","- C8 H14 N2 O7 S -","- C32 H56 N8 O28 S4 -","4","1","","Avenoza, Alberto; Busto, Jesús H; Corzana, Francisco; Jiménez-Osés, Gonzalo; Peregrina, Jesús M","SN2 vs. E2 on quaternary centres: an application to the synthesis of enantiopure beta2,2-amino acids.","Chemical communications (Cambridge, England)","2004","","8","980","981","10.1039/b400282b","","","0.71073","MoKα","","0.046","0.04","","","0.0998","0.1029","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102604","7.886","0.003","15.27","0.03","15.765","0.009","90","","90","","90","","1898","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Bis(4-cyanophenyl)-(1R,2R)-cyclohexanediamine hydrate","Bis(4-cyanophenyl)-(1R,2R)-cyclohexanediamine hydrate","","- C20 H22 N4 O -","- C20 H22 N4 O -","- C80 H88 N16 O4 -","4","1","","Anthony, S Philip; Radhakrishnan, T P","Helical and network coordination polymers based on a novel C2-symmetric ligand : SHG enhancement through specific metal coordination.","Chemical communications (Cambridge, England)","2004","","9","1058","1059","10.1039/b316931f","","","0.71073","MoKα","","0.1205","0.0535","","","0.1204","0.1635","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102606","9.488","0.003","14.094","0.003","31.354","0.004","90","","90","","90","","4193","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Silver(i)(BCDC)Perchlorate","Silver(I)(BCDC)Perchlorate","","- C40 H40 Ag2 Cl2 N8 O8 -","- C40 H40 Ag2 Cl2 N8 O8 -","- C160 H160 Ag8 Cl8 N32 O32 -","4","1","","Anthony, S Philip; Radhakrishnan, T P","Helical and network coordination polymers based on a novel C2-symmetric ligand : SHG enhancement through specific metal coordination.","Chemical communications (Cambridge, England)","2004","","9","1058","1059","10.1039/b316931f","","","0.71073","MoKα","","0.0652","0.0445","","","0.1194","0.1418","","","","","","1.198","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102607","13.4372","0.0001","15.8642","0.0001","20.626","0.0002","90","","90","","90","","4396.85","0.06","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H54 B2 Cl2 F4 N6 -","- C38 H40 B2 F4 N6 -","- C152 H160 B8 F16 N24 -","4","1","","Köhler, Thomas; Hodgson, Michael C; Seidel, Daniel; Veauthier, Jacqueline M; Meyer, Sylvie; Lynch, Vincent; Boyd, Peter D W; Brothers, Penelope J; Sessler, Jonathan L","Octaethylporphyrin and expanded porphyrin complexes containing coordinated BF2 groups.","Chemical communications (Cambridge, England)","2004","","9","1060","1061","10.1039/b400596a","","","0.71073","MoKα","","0.0811","0.0649","","","0.1675","0.1769","","","","","","1.129","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102617","9.131","0.001","21.578","0.001","13.283","0.001","90","","90","","90","","2617.1","0.4","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 O2 P Ru -","- C27 H41 O2 P Ru -","- C108 H164 O8 P4 Ru4 -","4","1","","Carmichael, Duncan; Klankermayer, Jurgen; Ricard, Louis; Seeboth, Nicolas","Synthesis and resolution of the planar chirality of ester-functionalised phospharuthenocenes.","Chemical communications (Cambridge, England)","2004","","9","1144","1145","10.1039/b401088d","","","0.71069","MoKα","","0.0467","0.0379","","","0.0873","0.0918","","","","","","1.042","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102618","10.085","0.005","11.771","0.005","26.42","0.005","90","","90","","90","","3136","2","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H45 O2 P Ru -","- C33 H45 O2 P Ru -","- C132 H180 O8 P4 Ru4 -","4","1","","Carmichael, Duncan; Klankermayer, Jurgen; Ricard, Louis; Seeboth, Nicolas","Synthesis and resolution of the planar chirality of ester-functionalised phospharuthenocenes.","Chemical communications (Cambridge, England)","2004","","9","1144","1145","10.1039/b401088d","","","0.71069","MoKα","","0.057","0.0399","","","0.0844","0.0911","","","","","","1.039","","","","has coordinates","180128","2020-10-21","18:00:00",""
"7102622","5.794","0.008","14.0776","0.0012","19.4686","0.0013","90","","90","","90","","1588","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C68 H76 N4 O12 S4 -","4","1","","Jeong, Nakcheol; Kim, Dong Hoon; Choi, Jun Hun","Desymmetrization of meso-dienyne by asymmetric Pauson-Khand type reaction catalysts.","Chemical communications (Cambridge, England)","2004","","9","1134","1135","10.1039/b401288g","","","0.71073","MoKα","","0.0516","0.049","","","0.1274","0.1298","","","","","","1.121","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102636","11.5522","0.0009","14.0034","0.0011","15.4518","0.0014","90","","90","","90","","2499.6","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 O2 P2 -","- C30 H28 O2 P2 -","- C120 H112 O8 P8 -","4","1","","Athanasia Dervisi; Cristina Carcedo; Ian A. Fallis; K.M Abdul Malik","A concise synthesis of a rigid isomannide-based diphosphine ligand and structural characterisation of an alkoxyphosphonium intermediate","Chemical communications (Cambridge, England)","2004","","10","1236","1237","10.1039/b401301h","","","0.71073","MoKα","","0.1324","0.0731","","","0.14","0.1602","","","","","","0.985","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102637","9.312","0.0004","10.1516","0.0004","26.5195","0.0014","90","","90","","90","","2506.9","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 O2 P2 -","- C30 H28 O2 P2 -","- C120 H112 O8 P8 -","4","1","","Athanasia Dervisi; Cristina Carcedo; Ian A. Fallis; K.M Abdul Malik","A concise synthesis of a rigid isomannide-based diphosphine ligand and structural characterisation of an alkoxyphosphonium intermediate","Chemical communications (Cambridge, England)","2004","","10","1236","1237","10.1039/b401301h","","","0.71073","MoKα","","0.0844","0.0588","","","0.1249","0.1368","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102720","9.7774","0.0006","11.6322","0.0007","14.7974","0.0009","90","","90","","90","","1682.95","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 F2 O4 -","- C17 H22 F2 O4 -","- C68 H88 F8 O16 -","4","1","","Audouard, Christophe; Barsukov, Igor; Fawcett, John; Griffith, Gerry A; Percy, Jonathan M; Pintat, Stéphane; Smith, Clive A","A stereodivergent asymmetric approach to difluorinated aldonic acids.","Chemical communications (Cambridge, England)","2004","","13","1526","1527","10.1039/b405067c","","","0.71073","MoKα","","0.0315","0.0298","","","0.0728","0.0735","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102723","12.9342","0.0013","17.6216","0.0018","31.042","0.003","90","","90","","90","","7075.2","1.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H54 F24 N12 O3 P4 Ru2 -","- C72 H48 F24 N12 O3 P4 Ru2 -","- C288 H192 F96 N48 O12 P16 Ru8 -","4","1","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.0437","0.0324","","","0.0574","0.0586","","","","","","0.901","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102725","13.0513","0.001","17.769","0.0014","31.426","0.003","90","","90","","90","","7288","1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H54 F24 N12 O3 Os2 P4 -","- C72 H48 F24 N12 O3 Os2 P4 -","- C288 H192 F96 N48 O12 Os8 P16 -","4","1","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.07","0.0503","","","0.0927","0.0989","","","","","","0.976","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102726","13.1694","0.0016","17.94","0.002","32.024","0.004","90","","90","","90","","7566.1","1.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H48 F24 N12 P4 Ru2 -","- C36 H24 F12 N6 P2 Ru -","- C288 H192 F96 N48 P16 Ru8 -","8","2","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.0992","0.0401","","","0.0613","0.0667","","","","","","0.648","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102728","13.1878","0.0013","17.9354","0.0016","32.058","0.003","90","","90","","90","","7582.7","1.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H48 F24 N12 Os2 P4 -","- C36 H24 F12 N6 Os P2 -","- C288 H192 F96 N48 Os8 P16 -","8","2","","Nakamura, Asao; Sato, Tomohiro; Kuroda, Reiko","Formation of racemic crystals of transition metal complexes by grinding 1 : 1 mixtures of enantiomeric crystals.","Chemical communications (Cambridge, England)","2004","","24","2858","2859","10.1039/b409006c","","","0.71073","MoKα","","0.1019","0.0553","","","0.1066","0.1211","","","","","","1.022","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102753","7.508","0.0003","8.634","0.0003","40.479","0.0015","90","","90","","90","","2624.01","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 N2 O9 -","- C26 H34 N2 O9 -","- C104 H136 N8 O36 -","4","1","","Lincoln, Christopher M; White, James D; Yokochi, Alexandre F T","Stereochemistry of contiguous cyclopropane formation from cascade cyclization of a skipped dienyl homoallyl triflate.","Chemical communications (Cambridge, England)","2004","","24","2846","2847","10.1039/b412811g","","","1.5418","CuKα","","0.0483","0.047","","","0.118","0.119","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102758","9.5496","0.0019","13.51","0.003","29.73","0.006","90","","90","","90","","3835.5","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H53 Al N2 P2 -","- C39 H53 Al N2 P2 -","- C156 H212 Al4 N8 P8 -","4","1","","Chivers, Tristram; Copsey, May C; Parvez, Masood","Formation of a chiral NPPN ligand via metallation of acyclic NPNCN systems.","Chemical communications (Cambridge, England)","2004","","24","2818","2819","10.1039/b413137a","","","0.71073","MoKα","","0.084","0.0515","","","0.117","0.1359","","","","","","1.04","","","","has coordinates","180129","2020-10-21","18:00:00",""
"7102765","8.3941","0.0003","9.4475","0.0003","12.0154","0.0004","90","","90","","90","","952.86","0.06","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cl N O3 -","- C8 H16 Cl N O3 -","- C32 H64 Cl4 N4 O12 -","4","1","","Bi, Jie; Aggarwal, Varinder K.","Application of furyl-stabilized sulfur ylides to a concise synthesis of 8a-epi-swainsonine","Chemical Communications (Cambridge, United Kingdom)","2008","","1","120","122","10.1039/b713447a","","x-ray","1.5418","CuKα","","0.0326","0.0318","","","0.0816","0.0823","","","","","","1.051","","","","has coordinates","209764","2020-10-21","18:00:00",""
"7102797","13.0305","0.0012","14.5399","0.0013","17.6901","0.0016","90","","90","","90","","3351.6","0.5","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H47 O P Ru Si -","- C37 H47 O P Ru Si -","- C148 H188 O4 P4 Ru4 Si4 -","4","1","","Rankin, Matthew A.; Hesp, Kevin D.; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark","Reactivity of a coordinatively unsaturated Cp*Ru(κ2-P,O) complex","Chemical Communications (Cambridge, United Kingdom)","2008","","2","250","252","10.1039/b713386c","","","0.71073","MoKα","","0.029","0.027","","","0.0695","0.0712","","","","","","1.098","","","","has coordinates","210796","2020-10-21","18:00:00",""
"7102809","8.9393","0.0018","12.215","0.002","30.199","0.006","90","","90","","90","","3297.5","1.1","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H44 F3 N2 O4 P S -","- C31 H44 F3 N2 O4 P S -","- C124 H176 F12 N8 O16 P4 S4 -","4","1","","Lu, Zheng; Findlater, Michael; Cowley, Alan H.","A β-diketiminato hydroxyphosphenium cation: phosphinous acid‒secondary phosphine oxidetautomerism revisited","Chemical Communications (Cambridge, United Kingdom)","2008","","2","184","186","10.1039/b716389d","","","0.71073","MoKα","","0.0656","0.0529","","","0.1291","0.1402","","","","","","1.103","","","","has coordinates,has disorder","210786","2020-10-21","18:00:00",""
"7102852","11.3","0.002","23.437","0.004","27.993","0.006","90","","90","","90","","7414","2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C117.5 H46 Ce2 S5 Si2 -","- C117.5 H46 Ce2 S5 Si2 -","- C470 H184 Ce8 S20 Si8 -","4","1","","Yamada, Michio; Wakahara, Takatsugu; Tsuchiya, Takahiro; Maeda, Yutaka; Kako, Masahiro; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Mizorogi, Naomi; Nagase, Shigeru","Location of the metal atoms in Ce2@C78 and its bis-silylated derivative.","Chemical communications (Cambridge, England)","2008","","5","558","560","10.1039/b712568b","","","0.6888","synchrotron","","0.0582","0.0491","","","0.1365","0.1445","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102853","11.318","0.003","23.492","0.005","28.055","0.006","90","","90","","90","","7459","3","296","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C117.5 H46 Ce2 S5 Si2 -","- C117.5 H46 Ce2 S5 Si2 -","- C470 H184 Ce8 S20 Si8 -","4","1","","Yamada, Michio; Wakahara, Takatsugu; Tsuchiya, Takahiro; Maeda, Yutaka; Kako, Masahiro; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Mizorogi, Naomi; Nagase, Shigeru","Location of the metal atoms in Ce2@C78 and its bis-silylated derivative.","Chemical communications (Cambridge, England)","2008","","5","558","560","10.1039/b712568b","","","0.6888","synchrotron","","0.0572","0.0465","","","0.1259","0.1332","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102854","11.351","0.003","23.56","0.006","28.117","0.007","90","","90","","90","","7519","3","270","2","270","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C117.5 H46 Ce2 S5 Si2 -","- C117.5 H46 Ce2 S5 Si2 -","- C470 H184 Ce8 S20 Si8 -","4","1","","Yamada, Michio; Wakahara, Takatsugu; Tsuchiya, Takahiro; Maeda, Yutaka; Kako, Masahiro; Akasaka, Takeshi; Yoza, Kenji; Horn, Ernst; Mizorogi, Naomi; Nagase, Shigeru","Location of the metal atoms in Ce2@C78 and its bis-silylated derivative.","Chemical communications (Cambridge, England)","2008","","5","558","560","10.1039/b712568b","","","0.6888","synchrotron","","0.0587","0.0475","","","0.1294","0.1357","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7102875","20.3501","0.001","26.4964","0.0015","26.964","0.0019","90","","90","","90","","14539.1","1.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","8","P 21 21 21","P 2ac 2ab","19","tetra(N''-(2,2'-bipyridinetricarbony-rhenium(i))-N,N'- diphenyl-isonicotamidate)(acetonitrile)dirhodium(ii) tetrakis(hexafluorophospate), acetonitrile disolvate","tetra(N""-(2,2'-bipyridinetricarbony-rhenium(I))-N,N'-diphenyl- isonicotamidate)(acetonitrile)dirhodium(II) tetrakis(hexafluorophospate), acetonitrile disolvate","","- C130 H97 F24 N23 O12 P4 Re4 Rh2 -","- C130 H97 F24 N23 O12 P4 Re4 Rh2 -","- C520 H388 F96 N92 O48 P16 Re16 Rh8 -","4","1","","Chartrand, Daniel; Hanan, Garry S.","Facile synthesis of multinuclear complexes based on a tetra(4-pyridyl)amidinate dirhodium(II) dimer","Chemical Communications (Cambridge, United Kingdom)","2008","","6","727","729","10.1039/b715205a","","","1.54178","CuKα","","0.1374","0.1087","","","0.2779","0.303","","","","","","1.126","","","","has coordinates,has disorder","210394","2020-10-21","18:00:00",""
"7102893","12.5069","0.0001","17.0522","0.0002","18.6392","0.0002","90","","90","","90","","3975.19","0.07","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H43 F6 N2 O4 P -","- C43 H43 F6 N2 O4 P -","- C172 H172 F24 N8 O16 P4 -","4","1","","Ueng, Shau-Hua; Hsueh, Sheng-Yao; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","Capturing a [c2]daisy chain using the threading-followed-by-swelling approach.","Chemical communications (Cambridge, England)","2008","","7","817","819","10.1039/b716331b","","","0.71073","MoKα","","0.0761","0.0546","","","0.151","0.17","","","","","","1.063","","","","has coordinates,has disorder","180130","2020-10-21","18:00:00",""
"7102917","11.3758","0.0001","24.2008","0.0002","24.9237","0.0002","90","","90","","90","","6861.58","0.1","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H100 F2 N8 O3 P2 -","- C73 H100 F2 N8 O3 P2 -","- C292 H400 F8 N32 O12 P8 -","4","1","","Yu, Joanne O; Browning, C Scott; Farrar, David H","Tris-2-(3-methylindolyl)phosphine as an anion receptor.","Chemical communications (Cambridge, England)","2008","","8","1020","1022","10.1039/b714889e","","","0.71073","MoKα","","0.0707","0.0532","","","0.1278","0.1389","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102941","6.8313","0.0001","10.1677","0.0002","25.1585","0.0004","90","","90","","90","","1747.47","0.05","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Miller, Natalie A; Willis, Anthony C; Sherburn, Michael S","Formal total synthesis of triptolide.","Chemical communications (Cambridge, England)","2008","","10","1226","1228","10.1039/b718754h","","","0.71073","MoKα","","0.041","0.0336","","0.0451","0.0403","0.0403","","","","","","1.0504","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102968","7.5767","0.0002","15.6119","0.0004","33.9875","0.0009","90","","90","","90","","4020.27","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H67 O3.5 -","- C45 H67 O3.5 -","- C180 H268 O14 -","4","1","","Zhao, Yu-Jun; Loh, Teck-Peng","Bio-inspired polyene cyclization: synthesis of tetracyclic terpenoids promoted by steroidal acetal-SnCl4.","Chemical communications (Cambridge, England)","2008","","12","1434","1436","10.1039/b714474a","","","0.71073","MoKα","","0.0916","0.0648","","","0.1721","0.2003","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102969","7.3053","0.0002","16.9186","0.0005","31.4286","0.0009","90","","90","","90","","3884.43","0.19","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H66 O3 -","- C44 H66 O3 -","- C176 H264 O12 -","4","1","","Zhao, Yu-Jun; Loh, Teck-Peng","Bio-inspired polyene cyclization: synthesis of tetracyclic terpenoids promoted by steroidal acetal-SnCl4.","Chemical communications (Cambridge, England)","2008","","12","1434","1436","10.1039/b714474a","","","0.71073","MoKα","","0.0564","0.0417","","","0.1069","0.1171","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102970","11.7545","0.0003","14.9209","0.0004","23.9958","0.0006","90","","90","","90","","4208.57","0.19","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C49 H72 O3 -","- C49 H72 O3 -","- C196 H288 O12 -","4","1","","Zhao, Yu-Jun; Loh, Teck-Peng","Bio-inspired polyene cyclization: synthesis of tetracyclic terpenoids promoted by steroidal acetal-SnCl4.","Chemical communications (Cambridge, England)","2008","","12","1434","1436","10.1039/b714474a","","","0.71073","MoKα","","0.0973","0.0499","","","0.1195","0.1438","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7102998","7.839","0.001","8.782","0.001","24.758","0.004","90","","90","","90","","1704.3","0.4","150.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 Si -","- C18 H21 N O2 Si -","- C72 H84 N4 O8 Si4 -","4","1","","Gandon, Vincent; Aubert, Corinne; Malacria, Max; Vollhardt, K Peter C","Cobalt-mediated regio- and stereoselective assembly of dienamides by hydroaminative alkyne coupling of alpha,omega-diynes.","Chemical communications (Cambridge, England)","2008","","13","1599","1601","10.1039/b716841a","","","0.7107","MoKα","","0.0418","0.0357","","0.0511","","0.0492","","","","","","1.669","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103004","5.1461","0.0006","10.1964","0.0012","20.941","0.002","90","","90","","90","","1098.8","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cadmium bct","","","- C6 H6 Cd N2 O5 S3 -","- C6 H6 Cd N2 O5 S3 -","- C24 H24 Cd4 N8 O20 S12 -","4","1","","Xue, Dong-Xu; Zhang, Wei-Xiong; Chen, Xiao-Ming; Wang, He-Zhou","Single-crystal-to-single-crystal transformation involving release of bridging water molecules and conversion of chain helicity in a chiral three-dimensional metal-organic framework.","Chemical communications (Cambridge, England)","2008","","13","1551","1553","10.1039/b717885a","","","0.71073","MoKα","","0.0137","0.0136","","","0.0362","0.0362","","","","","","1.155","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103005","4.723","0.003","8.316","0.006","25.618","0.018","90","","90","","90","","1006.2","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cadmium bct","","","- C6 H4 Cd N2 O4 S3 -","- C6 H4 Cd N2 O4 S3 -","- C24 H16 Cd4 N8 O16 S12 -","4","1","","Xue, Dong-Xu; Zhang, Wei-Xiong; Chen, Xiao-Ming; Wang, He-Zhou","Single-crystal-to-single-crystal transformation involving release of bridging water molecules and conversion of chain helicity in a chiral three-dimensional metal-organic framework.","Chemical communications (Cambridge, England)","2008","","13","1551","1553","10.1039/b717885a","","","0.71073","MoKα","","0.077","0.058","","","0.1069","0.1128","","","","","","1.077","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103006","5.1436","0.0006","10.1864","0.0012","20.945","0.003","90","","90","","90","","1097.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cadmium bct","","","- C6 H6 Cd N2 O5 S3 -","- C6 H6 Cd N2 O5 S3 -","- C24 H24 Cd4 N8 O20 S12 -","4","1","","Xue, Dong-Xu; Zhang, Wei-Xiong; Chen, Xiao-Ming; Wang, He-Zhou","Single-crystal-to-single-crystal transformation involving release of bridging water molecules and conversion of chain helicity in a chiral three-dimensional metal-organic framework.","Chemical communications (Cambridge, England)","2008","","13","1551","1553","10.1039/b717885a","","","0.71073","MoKα","","0.0175","0.0172","","","0.0399","0.0401","","","","","","1.074","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103007","4.7156","0.0018","8.312","0.003","25.557","0.01","90","","90","","90","","1001.8","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cadmium bct","","","- C6 H4 Cd N2 O4 S3 -","- C6 H4 Cd N2 O4 S3 -","- C24 H16 Cd4 N8 O16 S12 -","4","1","","Xue, Dong-Xu; Zhang, Wei-Xiong; Chen, Xiao-Ming; Wang, He-Zhou","Single-crystal-to-single-crystal transformation involving release of bridging water molecules and conversion of chain helicity in a chiral three-dimensional metal-organic framework.","Chemical communications (Cambridge, England)","2008","","13","1551","1553","10.1039/b717885a","","","0.71073","MoKα","","0.1085","0.0946","","","0.1844","0.1896","","","","","","1.222","","","","has coordinates","180132","2020-10-21","18:00:00",""
"7103070","5.6733","0.0014","7.793","0.0019","27.552","0.007","90","","90","","90","","1218.1","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O6 -","- C13 H12 O6 -","- C52 H48 O24 -","4","1","","Thillaye du Boullay, Olivier; Bonduelle, Colin; Martin-Vaca, Blanca; Bourissou, Didier","Functionalized polyesters from organocatalyzed ROP of gluOCA, the O-carboxyanhydride derived from glutamic acid.","Chemical communications (Cambridge, England)","2008","","15","1786","1788","10.1039/b800852c","","","0.71073","MoKα","","0.1032","0.0536","","","0.0881","0.1012","","","","","","0.94","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103108","8.7396","0.0009","12.0093","0.0013","19.41","0.002","90","","90","","90","","2037.2","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O2 S -","- C24 H21 N O2 S -","- C96 H84 N4 O8 S4 -","4","1","","Sakamoto, Masami; Kawanishi, Hiroya; Mino, Takashi; Fujita, Tsutomu","Asymmetric synthesis of beta-lactams using chiral-memory effect on photochemical gamma-hydrogen abstraction by thiocarbonyl group.","Chemical communications (Cambridge, England)","2008","","18","2132","2133","10.1039/b801524d","","","0.71073","MoKα","","0.0431","0.0378","","","0.095","0.0984","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103138","7.7201","0.0014","8.3506","0.0015","37.025","0.007","90","","90","","90","","2386.9","0.7","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N5 O8 -","- C25 H21 N5 O8 -","- C100 H84 N20 O32 -","4","1","","Li, Xiao; Zhan, Chuanlang; Wang, Yaobing; Yao, Jiannian","Pyridine-imide oligomers.","Chemical communications (Cambridge, England)","2008","","21","2444","2446","10.1039/b800020d","","","0.7107","MoKα","","0.0327","0.0312","","","0.0738","0.075","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103169","8.0619","0.0002","15.9886","0.0004","21.2669","0.0006","90","","90","","90","","2741.27","0.12","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H51 K N4 Zn -","- C22 H51 K N4 Zn -","- C88 H204 K4 N16 Zn4 -","4","1","","Conway, Ben; Graham, David V; Hevia, Eva; Kennedy, Alan R; Klett, Jan; Mulvey, Robert E","Structurally-defined potassium-mediated regioselective zincation of amino- and alkoxy-substituted pyridines.","Chemical communications (Cambridge, England)","2008","","23","2638","2640","10.1039/b805606d","","","0.71073","MoKα","","0.0925","0.0764","","","0.1519","0.1607","","","","","","1.12","","","","has coordinates","180133","2020-10-21","18:00:00",""
"7103191","5.1117","0.0001","9.8304","0.0002","34.9917","0.0008","90","","90","","90","","1758.33","0.06","100","","100","","","","","","","","toluene/pentane","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Fürstner, Alois; Ackerstaff, Jens","Formal total synthesis of (-)-haouamine A.","Chemical communications (Cambridge, England)","2008","","25","2870","2872","10.1039/b805295f","","","1.54178","CuKα","","0.034","0.0337","","","0.0785","0.0787","","","","","","1.162","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103240","8.4845","0.0008","20.369","0.002","20.976","0.002","90","","90","","90","","3625.1","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C176 H136 N24 O8 -","8","2","","Chen, Yunfeng; Liu, Yuxiu; Petersen, Jeffrey L; Shi, Xiaodong","Conformational control in the regioselective synthesis of N-2-substituted-1,2,3-triazoles.","Chemical communications (Cambridge, England)","2008","","28","3254","3256","10.1039/b805328f","","","0.71073","MoKα","","0.0998","0.0509","","","0.125","0.1501","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103256","7.798","0.003","14.839","0.006","16.313","0.006","90","","90","","90","","1887.7","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H37 Li N2 -","- C17 H37 Li N2 -","- C68 H148 Li4 N8 -","4","1","","Strohmann, Carsten; Gessner, Viktoria H; Damme, A","Isopropyllithium diamine adducts: from a non symmetric aggregate to monomeric i-PrLi.(1R,2R)-N,N,N',N'-tetraethylcyclohexane-1,2-diamine.","Chemical communications (Cambridge, England)","2008","","29","3381","3383","10.1039/b804855j","","","0.71073","MoKα","","0.0674","0.0525","","","0.1153","0.1216","","","","","","1.081","","","","has coordinates","180134","2020-10-21","18:00:00",""
"7103288","22.576","0.0004","8.40396","0.0001","9.89489","0.0001","90","","90","","90","","1877.34","0.04","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-3a,5a-Dimethyl-8-(toluene-4-sulfonyl)- 1,3,3a,4,5,5a,6,7,8,9-decahydro-furo(3,4-h)isoquinoline","","","- C20 H27 N O3 S -","- C20 H27 N O3 S -","- C80 H108 N4 O12 S4 -","4","1","","Sagae, Hiromi; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken","Rhodium-catalyzed enantio- and diastereoselective intramolecular [2 + 2 + 2] cycloaddition of unsymmetrical dienynes.","Chemical communications (Cambridge, England)","2008","","32","3804","3806","10.1039/b804294b","","","1.54187","CuKα","","0.0273","0.0265","","","0.0727","0.0733","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103306","9.3385","0.0009","11.5001","0.0011","12.0643","0.0011","90","","90","","90","","1295.6","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-N-(1,1-Dimethylethoxycarbonyl)-(pyrrolidin-2- yl)methylboronic acid","(S)-N-(1,1-Dimethylethoxycarbonyl)-(pyrrolidin-2- yl)methylboronic acid","","- C10 H20 B N O4 -","- C10 H20 B N O4 -","- C40 H80 B4 N4 O16 -","4","1","","Arnold, Kenny; Batsanov, Andrei S; Davies, Bryan; Grosjean, Christophe; Schütz, Thorben; Whiting, Andrew; Zawatzky, Kerstin","The first example of enamine-Lewis acid cooperative bifunctional catalysis: application to the asymmetric aldol reaction.","Chemical communications (Cambridge, England)","2008","","33","3879","3881","10.1039/b806779a","","","0.71073","MoKα","","0.0355","0.0306","","","0.0747","0.0768","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103319","6.4153","0.0013","12.269","0.003","18.605","0.004","90","","90","","90","","1464.4","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Fyvie, W Sean; Peczuh, Mark W","Remote induction of asymmetry in [13]-macro-dilactone topology by a single stereogenic center.","Chemical communications (Cambridge, England)","2008","","34","4028","4030","10.1039/b807562j","","","0.71073","MoKα","","0.1525","0.0586","","","0.0833","0.1022","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103330","11.0172","0.0005","15.0514","0.0007","16.7082","0.0004","90","","90","","90","","2770.63","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 I2 Ir N6 -","- C24 H31 I2 Ir N6 -","- C96 H124 I8 Ir4 N24 -","4","1","","Raynal, Matthieu; Cazin, Catherine S J; Vallée, Christophe; Olivier-Bourbigou, Hélène; Braunstein, Pierre","An unprecedented, figure-of-eight, dinuclear iridium(I) dicarbene and new iridium(III) 'pincer' complexes.","Chemical communications (Cambridge, England)","2008","","34","3983","3985","10.1039/b808806c","","x-ray","0.71073","MoKα","","0.0661","0.0443","","","0.0928","0.102","","","","","","0.979","","","","has coordinates","180136","2020-10-21","18:00:00",""
"7103350","10.0389","0.0005","15.9508","0.0007","18.4174","0.0008","90","","90","","90","","2949.2","0.2","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O6 -","- C32 H40 O6 -","- C128 H160 O24 -","4","1","","Walz, Irene; Togni, Antonio","Ni(II)-catalyzed enantioselective Nazarov cyclizations.","Chemical communications (Cambridge, England)","2008","","36","4315","4317","10.1039/b806870d","","","0.71073","MoKα","","0.0503","0.044","","","0.1089","0.114","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103384","8.709","0.001","11.104","0.001","21.032","0.003","90","","90","","90","","2033.9","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S,S)-2-(3'-(1-Methoxycarbonyl-ethylcarbamoyl)-(4,4')- bipyridinyl-3-carbonyl)-amino-propionic acid methyl ester","(S,S)-2-[3'-(1-Methoxycarbonyl-ethylcarbamoyl)-[4,4']-bipyridinyl- 3-carbonyl]-amino-propionic acid methyl ester","","- C20 H22 N4 O6 -","- C20 H22 N4 O6 -","- C80 H88 N16 O24 -","4","1","","Rang, Alexander; Nieger, Martin; Engeser, Marianne; Lützen, Arne; Schalley, Christoph A","Self-assembling squares with amino acid-decorated bipyridines: heterochiral self-sorting of dynamically interconverting diastereomers.","Chemical communications (Cambridge, England)","2008","","39","4789","4791","10.1039/b806916f","","","0.71073","MoKα","","0.0325","0.0298","","","0.0731","0.0752","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103385","8.732","0.001","11.123","0.001","21.076","0.002","90","","90","","90","","2047","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R,R)-2-(3'-(1-Methoxycarbonyl-ethylcarbamoyl)-(4,4')- bipyridinyl-3-carbonyl)-amino-propionic acid methyl ester","(R,R)-2-[3'-(1-Methoxycarbonyl-ethylcarbamoyl)-[4,4']-bipyridinyl- 3-carbonyl]-amino-propionic acid methyl ester","","- C20 H22 N4 O6 -","- C20 H22 N4 O6 -","- C80 H88 N16 O24 -","4","1","","Rang, Alexander; Nieger, Martin; Engeser, Marianne; Lützen, Arne; Schalley, Christoph A","Self-assembling squares with amino acid-decorated bipyridines: heterochiral self-sorting of dynamically interconverting diastereomers.","Chemical communications (Cambridge, England)","2008","","39","4789","4791","10.1039/b806916f","","","0.71073","MoKα","","0.0507","0.0414","","","0.0944","0.0991","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103438","7.7287","0.0013","21.606","0.004","29.851","0.005","90","","90","","90","","4985","2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Fe N3 O3 S -","- C25 H31 Fe N3 O3 S -","- C200 H248 Fe8 N24 O24 S8 -","8","2","","Joly, Kévin M; Wilson, Claire; Blake, Alexander J; Tucker, James H R; Moody, Christopher J","Competition between planar and central chiral control elements in nucleophilic addition to ferrocenyl imine derivatives.","Chemical communications (Cambridge, England)","2008","","41","5191","5193","10.1039/b808045c","","","0.71073","MoKα","","0.0941","0.0623","","","0.0952","0.104","","","","","","0.96","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103445","6.0128","0.0009","8.4458","0.0013","32.013","0.005","90","","90","","90","","1625.7","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 F3 N O S -","- C15 H18 F3 N O S -","- C60 H72 F12 N4 O4 S4 -","4","1","","Liu, Zhen-Jiang; Liu, Jin-Tao","Asymmetric synthesis of either diastereomer of trifluoromethylated allylic amines by the selective reduction of trifluoromethyl alpha,beta-unsaturated N-tert-butanesulfinyl ketoimines.","Chemical communications (Cambridge, England)","2008","","41","5233","5235","10.1039/b810459j","","","0.71073","MoKα","","0.088","0.0545","","","0.1175","0.1281","","","","","","0.891","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103446","5.8166","0.0006","14.9426","0.0016","18.2981","0.0019","90","","90","","90","","1590.4","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Cl F3 N O S -","- C14 H17 Cl F3 N O S -","- C56 H68 Cl4 F12 N4 O4 S4 -","4","1","","Liu, Zhen-Jiang; Liu, Jin-Tao","Asymmetric synthesis of either diastereomer of trifluoromethylated allylic amines by the selective reduction of trifluoromethyl alpha,beta-unsaturated N-tert-butanesulfinyl ketoimines.","Chemical communications (Cambridge, England)","2008","","41","5233","5235","10.1039/b810459j","","","0.71073","MoKα","","0.0607","0.051","","","0.1108","0.1147","","","","","","0.971","","","","has coordinates","180137","2020-10-21","18:00:00",""
"7103501","8.101","0.0007","12.7221","0.001","28.619","0.002","90","","90","","90","","2949.5","0.4","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 Br Cl2 N2 O3 S -","- C26 H41 Br Cl2 N2 O3 S -","- C104 H164 Br4 Cl8 N8 O12 S4 -","4","1","","Xu, Junye; Fu, Xiao; Low, Ruijuan; Goh, Yong-Peng; Jiang, Zhiyong; Tan, Choon-Hong","Tandem conjugate addition-elimination reaction promoted by chiral pyrrolidinyl sulfonamide (CPS).","Chemical communications (Cambridge, England)","2008","","43","5526","5528","10.1039/b810905m","","","0.71073","MoKα","","0.0796","0.0579","","","0.143","0.1549","","","","","","1.022","","","","has coordinates,has disorder","180138","2020-10-21","18:00:00",""
"7103521","16.115","0.003","18.056","0.003","33.067","0.006","90","","90","","90","","9622","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H57 Cl Cu N4 O12.5 -","- C48 H57 Cl Cu N4 O12.5 -","- C384 H456 Cl8 Cu8 N32 O100 -","8","2","","Boyd, Derek R; Sharma, Narain D; Sbircea, Lenuta; Murphy, Deirdre; Belhocine, Tayeb; Malone, John F; James, Stuart L; Allen, Christopher C R; Hamilton, John T G","Azaarene cis-dihydrodiol-derived 2,2'-bipyridine ligands for asymmetric allylic oxidation and cyclopropanation.","Chemical communications (Cambridge, England)","2008","","43","5535","5537","10.1039/b814678k","","","0.71073","MoKα","","0.1716","0.0722","","","0.175","0.2145","","","","","","0.909","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7103533","9.2153","0.0005","17.3138","0.0009","18.8681","0.001","90","","90","","90","","3010.4","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 F18 N P3 Pt S6 -","- C14 H27 F18.008 N P3 Pt S6 -","- C56 H108 F72.032 N4 P12 Pt4 S24 -","4","1","","Stephen, Emma; Blake, Alexander J; Davies, E Stephen; McMaster, Jonathan; Schröder, Martin","The structural characterisation and elucidation of the electronic structure of the mononuclear Pt(iii) complex [Pt([9]aneS(3))(2)](3+) ([9]aneS(3) = 1,4,7-trithiacyclononane).","Chemical communications (Cambridge, England)","2008","","44","5707","5709","10.1039/b811645h","","","0.71073","MoKα","","0.0347","0.0325","","","0.0771","0.078","","","","","","1.017","","","","has coordinates,has disorder","180138","2020-10-21","18:00:00",""
"7103536","5.6073","0.0006","10.3774","0.0011","20.89","0.002","90","","90","","90","","1215.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(3R,4R)-3-(4-methylpentanoyl)-4-(nitromethyl)dihydrofuran- 2(3H)-one","(3R,4R)-3-(4-methylpentanoyl)-4-(nitromethyl)dihydrofuran-2(3H)-one","","- C11 H17 N O5 -","- C11 H17 N O5 -","- C44 H68 N4 O20 -","4","1","","Elsner, Petteri; Jiang, Hao; Nielsen, Johanne B; Pasi, Filippo; Jørgensen, Karl Anker","A modular and organocatalytic approach to gamma-butyrolactone autoregulators from Streptomycetes.","Chemical communications (Cambridge, England)","2008","","44","5827","5829","10.1039/b812698d","","","0.71073","MoKα","","0.0364","0.032","","","0.0817","0.0846","","","","","","1.012","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7103566","8.9781","0.0011","10.3536","0.0012","25.647","0.003","90","","90","","90","","2384","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br N O5 S -","- C25 H22 Br N O5 S -","- C100 H88 Br4 N4 O20 S4 -","4","1","","Shi, Min; Qi, Ming-Juan; Liu, Xu-Guang","Asymmetric catalytic aza-Morita-Baylis-Hillman reaction (aza-MBH): an interesting functional group-caused reversal of asymmetric induction.","Chemical communications (Cambridge, England)","2008","","45","6025","6027","10.1039/b814500h","","","0.71073","MoKα","","0.0653","0.0407","","","0.0785","0.083","","","","","","0.847","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103569","6.0363","0.0005","8.5988","0.0006","35.409","0.003","90","","90","","90","","1837.9","0.3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 F4 I N O2 -","- C20 H14 F4 I N O2 -","- C80 H56 F16 I4 N4 O8 -","4","1","","Präsang, Carsten; Nguyen, H Loc; Horton, Peter N; Whitwood, Adrian C; Bruce, Duncan W","Trimeric liquid crystals assembled using both hydrogen and halogen bonding.","Chemical communications (Cambridge, England)","2008","","46","6164","6166","10.1039/b811716k","","","0.71073","MoKα","","0.0441","0.0377","","","0.0841","0.0865","","","","","","1.134","","","","has coordinates,has disorder","180138","2020-10-21","18:00:00",""
"7103575","12.9178","0.0012","21.121","0.002","21.125","0.002","90","","90","","90","","5763.6","1","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H40 Cl12 N6 O5 -","- C58 H40 Cl12 N6 O5 -","- C232 H160 Cl48 N24 O20 -","4","1","","Xue, Min; Chen, Chuan-Feng","Triptycene-based tetralactam macrocycles: synthesis, structure and complexation with squaraine.","Chemical communications (Cambridge, England)","2008","","46","6128","6130","10.1039/b813804d","","","0.7107","MoKα","","0.0948","0.0672","","","0.1574","0.1742","","","","","","1.084","","","","has coordinates","180138","2020-10-21","18:00:00",""
"7103640","6.5565","0.0012","10.915","0.002","30.422","0.005","90","","90","","90","","2177.1","0.7","100","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 Br N O2 -","- C24 H32 Br N O2 -","- C96 H128 Br4 N4 O8 -","4","1","","Timén, Åsa Sjöholm; Fischer, Andreas; Somfai, Peter","Stereoselective aza-Diels‒Alder reactions with 2H-azirines as dienophiles furnishing highly functionalized tetrahydropyridines","Chemical Communications (Cambridge, United Kingdom)","2003","","10","1150","1151","10.1039/b300849e","","","0.71073","MoKα","","0.0794","0.0471","","","0.0833","0.0931","","","","","","1.019","","","","has coordinates","210411","2020-10-21","18:00:00",""
"7103652","6.568","0.001","12.24","0.002","33.217","0.007","90","","90","","90","","2670.4","0.8","180","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 P2 S2 -","- C29 H32 P2 S2 -","- C116 H128 P8 S8 -","4","1","","C.Ortega-Alfaro; M.Gouygou; J.-C.Daran","","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b301613g","","x-ray","0.71073","MoKα","","0.0327","0.0301","","","0.072","0.0733","","","","","","1.044","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103682","9.6982","0.0016","11.4712","0.0019","22.658","0.004","90","","90","","90","","2520.7","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 I O9 -","- C22 H35 I O9 -","- C88 H140 I4 O36 -","4","1","","Bickley, Jamie; Cottrell, Jennifer A.; Ferguson, John R.; Field, Robert A.; Harding, John R.; Hughes, David L.; Ravindanathan Kartha, K. P.; Law, Jayne L.; Scheinmann, Feodor; Stachulski, Andrew V.","Preparation, X-ray structure and reactivity of a stable glycosyl iodide","Chemical Communications (Cambridge, United Kingdom)","2003","","11","1266","1267","10.1039/b302629a","","","0.71073","MoKα","","0.0226","0.0212","","","0.052","0.0525","","","","","","0.993","","","","has coordinates","210617","2020-10-21","18:00:00",""
"7103702","9.3229","0.0003","13.8767","0.0005","22.3925","0.0011","90","","90","","90","","2896.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","NOE2","NOE2","","- C12 H21 N O5 -","- C12 H21 N O5 -","- C96 H168 N8 O40 -","8","2","","Avenoza, Alberto; Busto, Jesús H.; Canal, Noelia; Peregrina, Jesús M.","Reactivity of 2-acylaminoacrylates with ketene diethyl acetal; [2 + 2] cycloadditions vs. tandem condensations","Chemical Communications (Cambridge, United Kingdom)","2003","","12","1376","1377","10.1039/b302000b","","","0.71073","MoKα","","0.0697","0.0522","","","0.1145","0.1252","","","","","","1.063","","","","has coordinates,has disorder","210498","2020-10-21","18:00:00",""
"7103705","9.167","0.015","15.61","0.02","19.07","0.03","90","","90","","90","","2729","7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 N4 O7 -","- C22 H40 N4 O7 -","- C88 H160 N16 O28 -","4","1","","Haldar, Debasish; Banerjee, Arijit; Drew, Michael G. B.; Das, Apurba Kumar; Banerjee, Arindam","First crystallographic signature of an acyclic peptide nanorod: molecular mechanism of nanorod formation by a self-assembled tetrapeptide","Chemical Communications (Cambridge, United Kingdom)","2003","","12","1406","1407","10.1039/b302472p","","","0.71073","MoKα","","0.1414","0.0662","","","0.1659","0.1974","","","","","","0.948","","","","has coordinates","210648","2020-10-21","18:00:00",""
"7103712","8.9819","0.0001","13.5846","0.0002","16.3968","0.0002","90","","90","","90","","2000.66","0.04","173","","","","","","","","","","Local laboratory","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cl2 Hg N2 O6 -","- C18 H16 Cl2 Hg N2 O6 -","- C72 H64 Cl8 Hg4 N8 O24 -","4","1","","Grosshans, Philippe; Jouaiti, Abdelaziz; Bulach, Véronique; Planeix, Jean-Marc; Hosseini, Mir Wais; Nicoud, Jean-François","Molecular tectonics: from enantiomerically pure sugars to enantiomerically pure triple stranded helical coordination network","Chemical Communications (Cambridge, United Kingdom)","2003","","12","1336","1337","10.1039/b303238h","","","0.71073","MoKα","","0.0302","0.0262","","","0.057","0.0582","","","","","","1.046","","","","has coordinates","210714","2020-10-21","18:00:00",""
"7103732","5.5364","0.0008","9.9736","0.0014","31.173","0.004","90","","90","","90","","1721.3","0.4","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O3 -","- C19 H28 O3 -","- C76 H112 O12 -","4","1","","Sorensen, John L.; Vederas, John C.","Monacolin N, a compound resulting from derailment of type I iterative polyketide synthase function en route to lovastatin","Chemical Communications (Cambridge, United Kingdom)","2003","","13","1492","1493","10.1039/b304252a","","","0.71073","MoKα","","0.0628","0.0444","","","0.1041","0.1111","","","","","","1.094","","","","has coordinates","210738","2020-10-21","18:00:00",""
"7103740","8.9524","0.001","9.9659","0.0012","37.371","0.004","90","","90","","90","","3334.2","0.7","263","2","263","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Chainin","","","- C33 H54 O10 -","- C33 H54 O10 -","- C132 H216 O40 -","4","1","","In, Yasuko; Ohishi, Hirofumi; Ishida, Toshimasa; Igarashi, Yasuhiro","Concerted interaction between conjugated double bond CHs and multiple OHs in polyene macrolide antibiotic chainin: weak =C–H⋯O interactions responsible for intrinsic molecular assembly","Chemical Communications (Cambridge, United Kingdom)","2003","","14","1692","1693","10.1039/b303047d","","","0.71069","MoKα","","0.1642","0.0696","","","0.149","0.191","","","","","","1.002","","","","has coordinates","275166","2022-05-07","00:17:09",""
"7103741","9.5892","0.0014","17.72","0.003","26.227","0.004","90","","90","","90","","4456.5","1.1","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Chainin-p-bromobenzenesulfonate","","","- C40 H61 Br O13 S -","- C40 H56 Br O13 S -","- C160 H224 Br4 O52 S4 -","4","1","","In, Yasuko; Ohishi, Hirofumi; Ishida, Toshimasa; Igarashi, Yasuhiro","Concerted interaction between conjugated double bond CHs and multiple OHs in polyene macrolide antibiotic chainin: weak =C–H⋯O interactions responsible for intrinsic molecular assembly","Chemical Communications (Cambridge, United Kingdom)","2003","","14","1692","1693","10.1039/b303047d","","","0.71069","MoKα","","0.1852","0.0614","","","0.1316","0.1603","","","","","","0.887","","","","has coordinates","275166","2022-05-07","00:17:09",""
"7103765","6.7248","0.0002","13.1339","0.0008","16.6976","0.0009","90","","90","","90","","1474.78","0.13","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 S -","- C16 H21 N O2 S -","- C64 H84 N4 O8 S4 -","4","1","","Stuart Warren; Lorenzo Caggiano; John Davies; David J. Fox; David C. Moody","A novel silica catalysed steroselective cyclic carbamate and carbonate rearrangement","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b303791f","","","0.71069","MoKα","","0.051","0.0371","","0.1473","0.0848","","","","1.095","1.128","1.128","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7103770","8.717","0.0002","16.236","0.0003","18.907","0.0004","90","","90","","90","","2675.89","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Cl4 N2 P Pd -","- C25 H29 Cl4 N2 P Pd -","- C100 H116 Cl16 N8 P4 Pd4 -","4","1","","Leca, François; Sauthier, Mathieu; Le Guennic, Boris; Lescop, Christophe; Toupet, Loic; Halet, Jean-François; Réau, Régis","Stereospecific isomerisation of P-heterocycles triggered by coordination: synthesis of the first P,N-chelates featuring a 2-phospholene moiety","Chemical Communications (Cambridge, United Kingdom)","2003","","","1774","1775","10.1039/b304308h","","","0.71069","MoKα","","0.035","0.0336","","","0.086","0.0872","","","","","","1.125","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103805","16.3823","0.0007","19.1959","0.001","10.0603","0.0005","90","","90","","90","","3163.7","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","fullerene-C60 bromoform solvate","buckminsterfullerene-C60 bromoform","","- C61 H Br3 -","- C61 H Br3 -","- C244 H4 Br12 -","4","1","","Hardie, Michaele J.; Torrens, Ralph; Raston, Colin L.","Characterisation of a new 1:1 (C60)(CHBr3) intercalation complex","Chemical Communications (Cambridge, United Kingdom)","2003","","15","1854","1855","10.1039/b303478j","","","0.71073","MoKα","","0.183","0.137","","","0.3356","0.3795","","","","","","1.05","","","","has coordinates,has disorder","210453","2020-10-21","18:00:00",""
"7103852","6.3659","0.0013","11.591","0.002","23.782","0.005","90","","90","","90","","1754.8","0.6","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N0 O9 -","- C18 H18 O9 -","- C72 H72 O36 -","4","1","","Liu, Hong-Min; Zhang, Fuyi; Zou, Da-Peng","Stereoselective synthesis of 2,2-bis(C-branched-chain)glucopyranosid-3-ulose via an autoxidation‒Michael addition reaction","Chemical Communications (Cambridge, United Kingdom)","2003","","16","2044","2045","10.1039/b306227a","","","0.71073","MoKα","","0.0993","0.0557","","","0.1064","0.1184","","","","","","1.021","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7103854","11.07","0.002","19.53","0.004","8.6828","0.0017","90","","90","","90","","1877.1","0.6","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O8 -","- C18 H19 N O8 -","- C72 H76 N4 O32 -","4","1","","Liu, Hong-Min; Zhang, Fuyi; Zou, Da-Peng","Stereoselective synthesis of 2,2-bis(C-branched-chain)glucopyranosid-3-ulose via an autoxidation‒Michael addition reaction","Chemical Communications (Cambridge, United Kingdom)","2003","","16","2044","2045","10.1039/b306227a","","","0.71073","MoKα","","0.098","0.0546","","","0.1098","0.1232","","","","","","1.006","","","","has coordinates","210428","2020-10-21","18:00:00",""
"7103861","15.084","0.006","15.853","0.004","18.043","0.006","90","","90","","90","","4315","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H65 N5 O7 S -","- C43 H65 N5 O7 S -","- C172 H260 N20 O28 S4 -","4","1","","Sisson, Adam L.; Clare, John P.; Taylor, Luke H.; Charmant, Jonathan P. H.; Davis, Anthony P.","Perturbing the Hofmeister series: a steroid-based anion receptor with preorganised quaternary ammonium and H-bond donor groups","Chemical Communications (Cambridge, United Kingdom)","2003","","17","2246","2247","10.1039/b305261c","","","0.71073","MoKα","","0.0738","0.0386","","","0.0765","0.0902","","","","","","1.039","","","","has coordinates","210613","2020-10-21","18:00:00",""
"7103884","6.759","0.001","9.998","0.002","21.043","0.004","90","","90","","90","","1422","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 O P -","- C16 H21 O P -","- C64 H84 O4 P4 -","4","1","","Komarov, Igor V.; Spannenberg, Anke; Holz, Jens; Börner, Armin","Highly stereoselective, thermodynamically controlled and reversible formation of a new P-chiral phosphine","Chemical Communications (Cambridge, United Kingdom)","2003","","17","2240","2241","10.1039/b306153a","","","0.71073","MoKα","","0.0441","0.0336","","0.0786","0.0755","","","","0.931","0.999","0.999","","","","","has coordinates","210672","2020-10-21","18:00:00",""
"7103889","4.9041","0.0008","14.4817","0.0015","31.335","0.007","90","","90","","90","","2225.4","","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O2 -","- C24 H31 N O2 -","- C96 H124 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Savory, Edward D.; Smith, Andrew D.","Double diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements","Chemical Communications (Cambridge, United Kingdom)","2003","","17","2134","2135","10.1039/b306323m","","","1.5418","CuKα","","","0.0595","","","","0.0747","","","","","","0.9426","","","","has coordinates","210689","2020-10-21","18:00:00",""
"7103914","11.0896","0.0006","24.9395","0.0012","25.1973","0.0011","90","","90","","90","","6968.8","0.6","180","","180","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C76 H100 Li N4 O4 Yb -","- C76 H100 Li N4 O4 Yb -","- C304 H400 Li4 N16 O16 Yb4 -","4","1","","Collin, Jacqueline; Daran, Jean-Claude; Schulz, Emmanuelle; Trifonov, Alexander","Lanthanide complexes derived from (R)-1,1'-binaphthyl-2,2'-bis(neopentylamine) ‒ {Li(THF)4}{Ln[(R)-C20H12N2(C10H22)]2} (Ln = Sm, Yb) ‒ novel catalysts for enantioselective intramolecular hydroamination","Chemical Communications (Cambridge, United Kingdom)","2003","","24","3048","3049","10.1039/b310954b","","","0.71073","MoKα","","0.0389","0.0325","","","0.0637","0.0657","","","","","","0.987","","","","has coordinates,has disorder","210533","2020-10-21","18:00:00",""
"7103915","11.1019","0.0007","25.0568","0.0014","25.2362","0.0014","90","","90","","90","","7020.2","0.7","180","2","180","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C76 H100 Li N4 O4 Sm -","- C76 H100 Li N4 O4 Sm -","- C304 H400 Li4 N16 O16 Sm4 -","4","1","","Collin, Jacqueline; Daran, Jean-Claude; Schulz, Emmanuelle; Trifonov, Alexander","Lanthanide complexes derived from (R)-1,1'-binaphthyl-2,2'-bis(neopentylamine) ‒ {Li(THF)4}{Ln[(R)-C20H12N2(C10H22)]2} (Ln = Sm, Yb) ‒ novel catalysts for enantioselective intramolecular hydroamination","Chemical Communications (Cambridge, United Kingdom)","2003","","24","3048","3049","10.1039/b310954b","","","0.71073","MoKα","","0.0512","0.0447","","","0.0879","0.09","","","","","","1.068","","","","has coordinates,has disorder","210533","2020-10-21","18:00:00",""
"7103936","10.9208","0.0015","19.945","0.003","20.951","0.003","90","","90","","90","","4563.3","1.1","294","2","294","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C39 H38 Ge N2 O8 P2 Si2 W2 -","- C39 H38 Ge N2 O8 P2 Si2 W2 -","- C156 H152 Ge4 N8 O32 P8 Si8 W8 -","4","1","","Leung, Wing-Por; So, Cheuk-Wai; Wang, Jin-Zhi; Mak, Thomas C. W.","A novel synthesis of metallogermacyclopropane and molybdenum bis(iminophosphorano)carbene complexes from bisgermavinylidene","Chemical Communications (Cambridge, United Kingdom)","2003","","2","248","249","10.1039/b210598e","","","0.71073","MoKα","","0.037","0.0277","","","0.0628","0.0836","","","","","","1.09","","","","has coordinates","210660","2020-10-21","18:00:00",""
"7103944","9.3085","0.0006","15.0641","0.001","7.4597","0.0004","90","","90","","90","","1046.03","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 Cl3 N O -","- C8 H10 Cl3 N O -","- C32 H40 Cl12 N4 O4 -","4","1","","Nagashima, Hideo; Gondo, Mitsuru; Masuda, Satoshi; Kondo, Hideo; Yamaguchi, Yoshitaka; Matsubara, Kouki","Organoruthenium(II) and (III) amidinates, (η5-C5Me5)Ru(η-amidinate) and (η5-C5Me5)RuCl(η-amidinate), as unique redox catalysts for the intramolecular Kharasch reactions: Facile access to a pyrrolizidine alkaloid skeleton under mild conditions","Chemical Communications (Cambridge, United Kingdom)","2003","","3","442","443","10.1039/b209369c","","","0.71069","MoKα","","0.0463","0.0333","","","0.0685","0.0741","","","","","","0.966","","","","has coordinates","209763","2020-10-21","18:00:00",""
"7104002","18.0316","0.0003","18.0653","0.0003","6.6008","0.0001","90","","90","","90","","2150.19","0.06","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Cl3 Cr N2 O3 Pd -","- C20 H15 Cl3 Cr N2 O3 Pd -","- C80 H60 Cl12 Cr4 N8 O12 Pd4 -","4","1","","Djukic, Jean-Pierre; Alexsandro, Berger; Andre de, Cian; Nathalie, Kyritsakas-Gruber; Jerome, Lacour; Michel, Pfeffer; Laurent, Vial","Novel heteroleptic cis-(C-N)2Pd(II) chelates for the preparation of enantiopure planar chiral cyclopalladated 2-[tricarbonyl(eta6-phenyl)chromium]pyridine","Chemical communications (Cambridge, England)","2003","","","","","10.1039/b211873d","","","0.71073","Mo-Kα","","0.041","0.03","","0.154","","0.036","","","4.521","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7104009","14.2861","0.0011","18.4281","0.0015","27.872","0.002","90","","90","","90","","7337.7","1","173","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H77 B F24 Ni P2 -","- C73 H72 B F24 Ni P2 -","- C292 H288 B4 F96 Ni4 P8 -","4","1","","Ionkin, Alex; Marshall, William","New thermally stable cationic η3-allyl(1,4-diphospha-(1,3)-butadiene)nickel complexes for ethylene polymerization","Chemical Communications (Cambridge, United Kingdom)","2003","","6","710","711","10.1039/b211252c","","","0.71073","MoKα","","0.1372","0.0605","","","0.128","0.1667","","","","","","1.014","","","","has coordinates","210416","2020-10-21","18:00:00",""
"7104140","8.3159","0.0005","11.2104","0.0007","38.813","0.002","90","","90","","90","","3618.4","0.4","173","1","173","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H33 Cl O4 P2 Pd -","- C44 H33 Cl O4 P2 Pd -","- C176 H132 Cl4 O16 P8 Pd4 -","4","1","","Azerraf, Clarite; Shpruhman, Alina; Gelman, Dmitri","Diels-Alder cycloaddition as a new approach toward stable PC(sp3)P-metalated compounds.","Chemical communications (Cambridge, England)","2009","34","4","466","468","10.1039/b815051f","","","0.71073","MoKα","","0.0395","0.0376","","","0.0818","0.0826","","","","","","1.161","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104147","7.4042","0.001","8.5718","0.0011","14.7778","0.0019","90","","90","","90","","937.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","","Dhudshia, Bhartesh; Cooper, Benjamin F T; Macdonald, Charles L B; Thadani, Avinash N","The asymmetric total synthesis of (-)-securinine.","Chemical communications (Cambridge, England)","2009","34","4","463","465","10.1039/b816576a","","","0.71073","MoKα","","0.0391","0.0377","","","0.0964","0.0981","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104148","6.9876","0.001","9.3485","0.0013","16.411","0.002","90","","90","","90","","1072","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","securinine","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Dhudshia, Bhartesh; Cooper, Benjamin F T; Macdonald, Charles L B; Thadani, Avinash N","The asymmetric total synthesis of (-)-securinine.","Chemical communications (Cambridge, England)","2009","34","4","463","465","10.1039/b816576a","","","0.71073","MoKα","","0.0425","0.0372","","","0.0866","0.0894","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104162","9.9463","0.0005","13.5838","0.0007","14.0922","0.0007","90","","90","","90","","1903.98","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O3 S -","- C20 H24 N2 O3 S -","- C80 H96 N8 O12 S4 -","4","1","","Clayden, Jonathan; Pickworth, Mark; Jones, Lyn H","Relaying stereochemistry through aromatic ureas: 1,9 and 1,15 remote stereocontrol.","Chemical communications (Cambridge, England)","2009","34","5","547","549","10.1039/b817527f","","","0.71073","MoKα","","0.0293","0.0281","","","0.0713","0.0718","","","","","","1","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104163","8.9041","0.0006","10.7195","0.0007","24.62","0.0016","90","","90","","90","","2349.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O3 S -","- C26 H30 N2 O3 S -","- C104 H120 N8 O12 S4 -","4","1","","Clayden, Jonathan; Pickworth, Mark; Jones, Lyn H","Relaying stereochemistry through aromatic ureas: 1,9 and 1,15 remote stereocontrol.","Chemical communications (Cambridge, England)","2009","34","5","547","549","10.1039/b817527f","","","0.71073","MoKα","","0.0285","0.0276","","","0.072","0.0724","","","","","","1.072","","","","has coordinates","180144","2020-10-21","18:00:00",""
"7104196","11.1853","0.0004","14.2294","0.0004","14.5837","0.0004","90","","90","","90","","2321.14","0.12","93.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 F3 I N2 O3 S -","- C8 H6 F3 I N2 O3 S -","- C64 H48 F24 I8 N16 O24 S8 -","8","2","","Ochiai, Masahito; Nakano, Aiko; Yoshimura, Akira; Miyamoto, Kazunori; Hayashi, Satoko; Nakanishi, Waro","Imido transfer of sulfonylimino-lambda3-bromane makes possible the synthesis of sulfonylimino-lambda3-iodanes.","Chemical communications (Cambridge, England)","2009","34","8","959","961","10.1039/b818489e","","","0.71075","MoKα","","","0.0215","","","","0.052","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104214","5.9317","0.0004","12.8974","0.0009","24.7747","0.0017","90","","90","","90","","1895.4","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N O2 -","- C21 H33 N O2 -","- C84 H132 N4 O8 -","4","1","","Ke, Xianbing; Hu, Hao; Zhang, Keda; Xu, Wenjin; Zhu, Qifeng; Wu, Lamei; Hu, Xianming","Significant steroids: effective and general synthesis of 4alpha- and 4beta-amino-5alpha-androstanes.","Chemical communications (Cambridge, England)","2009","34","9","1037","1039","10.1039/b817910g","","","0.71073","MoKα","","0.0956","0.0566","","","0.1178","0.1316","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104215","7.7287","0.0007","8.6066","0.0008","29.9778","0.0016","90","","90","","90","","1994.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N O2 -","- C23 H35 N O2 -","- C92 H140 N4 O8 -","4","1","","Ke, Xianbing; Hu, Hao; Zhang, Keda; Xu, Wenjin; Zhu, Qifeng; Wu, Lamei; Hu, Xianming","Significant steroids: effective and general synthesis of 4alpha- and 4beta-amino-5alpha-androstanes.","Chemical communications (Cambridge, England)","2009","34","9","1037","1039","10.1039/b817910g","","","0.71073","MoKα","","0.0867","0.0529","","","0.1207","0.135","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104216","8.3064","0.0005","11.8271","0.0007","21.4585","0.0014","90","","90","","90","","2108.1","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H37 N O3 -","- C23 H37 N O3 -","- C92 H148 N4 O12 -","4","1","","Ke, Xianbing; Hu, Hao; Zhang, Keda; Xu, Wenjin; Zhu, Qifeng; Wu, Lamei; Hu, Xianming","Significant steroids: effective and general synthesis of 4alpha- and 4beta-amino-5alpha-androstanes.","Chemical communications (Cambridge, England)","2009","34","9","1037","1039","10.1039/b817910g","","","0.71073","MoKα","","0.0663","0.0488","","","0.1236","0.1334","","","","","","1.122","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104217","8.1193","0.0009","11.3485","0.0012","21.282","0.002","90","","90","","90","","1961","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O2 -","- C22 H30 N2 O2 -","- C88 H120 N8 O8 -","4","1","","Ke, Xianbing; Hu, Hao; Zhang, Keda; Xu, Wenjin; Zhu, Qifeng; Wu, Lamei; Hu, Xianming","Significant steroids: effective and general synthesis of 4alpha- and 4beta-amino-5alpha-androstanes.","Chemical communications (Cambridge, England)","2009","34","9","1037","1039","10.1039/b817910g","","","0.71073","MoKα","","0.0584","0.0497","","","0.1169","0.1223","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104353","8.2548","0.0011","18.988","0.003","20.873","0.003","90","","90","","90","","3271.7","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 N O7 -","- C36 H47 N O7 -","- C144 H188 N4 O28 -","4","1","","Khan, Faiz Ahmed; Parasuraman, Karuppasamy; Sadhu, Kalyan Kumar","Azacrown-oxabridged macrocycle: a novel hybrid fluorogenic chemosensor for transition and heavy metal ions.","Chemical communications (Cambridge, England)","2009","34","17","2399","2401","10.1039/b820479a","","","0.71073","MoKα","","0.0938","0.0477","","","0.1108","0.134","","","","","","0.993","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104366","7.4634","0.0015","13.393","0.003","15.347","0.003","90","","90","","90","","1534","0.5","293.1","","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indole-3-yl)ethanol","","","- C16 H11 Cl F3 N O -","- C16 H11 Cl F3 N O -","- C64 H44 Cl4 F12 N4 O4 -","4","1","","Nie, Jing; Zhang, Guang-Wu; Wang, Lian; Fu, Aiping; Zheng, Yan; Ma, Jun-An","A perfect double role of CF3 groups in activating substrates and stabilizing adducts: the chiral Brønsted acid-catalyzed direct arylation of trifluoromethyl ketones.","Chemical communications (Cambridge, England)","2009","34","17","2356","2358","10.1039/b900474b","","","0.71073","MoKα","","0.1184","0.0644","","","0.0911","0.1036","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104384","7.1072","0.0005","17.443","0.0011","19.5633","0.0013","90","","90","","90","","2425.3","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl3 Cu N2 -","- C25 H28 Cl3 Cu N2 -","- C100 H112 Cl12 Cu4 N8 -","4","1","","Hirsch-Weil, Dimitri; Snead, David R; Inagaki, Sebastien; Seo, Hwimin; Abboud, Khalil A; Hong, Sukwon","In situ generation of novel acyclic diaminocarbene-copper complex.","Chemical communications (Cambridge, England)","2009","34","18","2475","2477","10.1039/b821169h","","","0.71073","MoKα","","0.0408","0.0345","","","0.0782","0.0807","","","","","","1.014","","","","has coordinates","180146","2020-10-21","18:00:00",""
"7104420","9.0091","0.0011","13.4618","0.0018","22.202","0.003","90","","90","","90","","2692.6","0.6","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Hatake, Mayu; Miyano, Yousuke; Isobe, Kiyoshi","The absolute asymmetric photoisomerization of a photochromic dithionite complex in chiral crystals.","Chemical communications (Cambridge, England)","2009","34","19","2685","2687","10.1039/b901756a","","","0.7107","MoKα","","","0.0381","","","","0.0878","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104421","9.0049","0.0007","13.4615","0.0011","22.2113","0.0018","90","","90","","90","","2692.4","0.4","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Hatake, Mayu; Miyano, Yousuke; Isobe, Kiyoshi","The absolute asymmetric photoisomerization of a photochromic dithionite complex in chiral crystals.","Chemical communications (Cambridge, England)","2009","34","19","2685","2687","10.1039/b901756a","","","0.7107","MoKα","","","0.0297","","","","0.0664","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104422","9.1949","0.0011","13.824","0.0016","21.119","0.003","90","","90","","90","","2684.5","0.5","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4.01 Rh2 S2 -","- C104 H168 O16.04 Rh8 S8 -","4","1","","Nakai, Hidetaka; Hatake, Mayu; Miyano, Yousuke; Isobe, Kiyoshi","The absolute asymmetric photoisomerization of a photochromic dithionite complex in chiral crystals.","Chemical communications (Cambridge, England)","2009","34","19","2685","2687","10.1039/b901756a","","","0.7107","MoKα","","","0.0464","","","","0.1085","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104423","9.1945","0.0011","13.8409","0.0016","21.12","0.003","90","","90","","90","","2687.8","0.6","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Hatake, Mayu; Miyano, Yousuke; Isobe, Kiyoshi","The absolute asymmetric photoisomerization of a photochromic dithionite complex in chiral crystals.","Chemical communications (Cambridge, England)","2009","34","19","2685","2687","10.1039/b901756a","","","0.7107","MoKα","","","0.042","","","","0.0979","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104448","9.004","0.005","14.264","0.003","20.84","0.006","90","","90","","90","","2676.5","1.8","565","2","565","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 N2 O4 S -","- C32 H30 N2 O4 S -","- C128 H120 N8 O16 S4 -","4","1","","Amat, Mercedes; Checa, Begoña; Llor, Núria; Molins, Elies; Bosch, Joan","Enantioselective total synthesis of the indole alkaloid 16-episilicine.","Chemical communications (Cambridge, England)","2009","34","20","2935","2937","10.1039/b904521j","","x-ray","0.71073","MoKα","","0.0948","0.0477","","","0.0833","0.097","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104537","5.854","0.002","16.486","0.004","20.202","0.007","90","","90","","90","","1949.5","1.1","123.1","","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Cl O2 P -","- C22 H20 Cl O2 P -","- C88 H80 Cl4 O8 P4 -","4","1","","Kawamoto, Takahiro; Hirabayashi, Sho; Guo, Xun-Xiang; Nishimura, Takahiro; Hayashi, Tamio","Rhodium-catalyzed asymmetric hydroalkoxylation and hydrosulfenylation of diphenylphosphinylallenes.","Chemical communications (Cambridge, England)","2009","34","24","3528","3530","10.1039/b900976k","","","0.71075","MoKα","","","0.0364","","","","0.094","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104618","4.8616","0.0006","9.1187","0.0011","13.2712","0.0016","90","","90","","90","","588.33","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H9 N O5 -","- C3 H9 N O5 -","- C12 H36 N4 O20 -","4","1","","Churakov, Andrei V; Prikhodchenko, Petr V; Howard, Judith A K; Lev, Ovadia","Glycine and L-serine crystalline perhydrates.","Chemical communications (Cambridge, England)","2009","34","28","4224","4226","10.1039/b906801e","","","0.71073","MoKα","","0.0297","0.0294","","","0.0777","0.0782","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104660","6.7928","0.0007","8.4033","0.0008","41.694","0.004","90","","90","","90","","2380","0.4","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 O4 Rh -","- C28 H31 O4 Rh -","- C112 H124 O16 Rh4 -","4","1","","Okamoto, Kazuhiro; Hayashi, Tamio; Rawal, Viresh H","Electronic and steric tuning of chiral diene ligands for rhodium-catalyzed asymmetric arylation of imines.","Chemical communications (Cambridge, England)","2009","34","32","4815","4817","10.1039/b904624k","","","0.71073","MoKα","","0.0453","0.0447","","","0.0939","0.0944","","","","","","1.319","","","","has coordinates,has disorder","180149","2020-10-21","18:00:00",""
"7104666","8.0464","0.0002","12.5778","0.0004","17.1009","0.0004","90","","90","","90","","1730.71","0.08","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Br O Re S4 -","- C12 H16 Br O Re S4 -","- C48 H64 Br4 O4 Re4 S16 -","4","1","","De Montigny, Frederic; Guy, Laure; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Lombardi, Rosina; Freedman, Teresa B; Nafie, Laurence A; Crassous, Jeanne","Subtle chirality in oxo- and sulfidorhenium(v) complexes.","Chemical communications (Cambridge, England)","2009","34","32","4841","4843","10.1039/b907924f","","","0.71073","MoKα","","0.035","0.0331","","0.0423","0.0379","0.0372","","","","","","1.0774","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7104675","13.0545","0.0003","13.7865","0.0003","23.033","0.0005","90","","90","","90","","4145.38","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C224 H208 N16 -","8","2","","Bedford, Robin B; Butts, Craig P; Haddow, Mairi F; Osborne, Robert; Sankey, Rosalind F","Reactive 4a-alkyl-4aH-carbazoles by catalytic dearomatisation, and their unusual dimerisation and dealkylation reactions.","Chemical communications (Cambridge, England)","2009","34","32","4832","4834","10.1039/b910894g","","","0.71073","MoKα","","0.0518","0.0411","","","0.1075","0.1149","","","","","","1.161","","","","has coordinates","180149","2020-10-21","18:00:00",""
"7104702","7.1897","0.0003","16.1402","0.0007","20.8063","0.0013","90","","90","","90","","2414.4","0.2","150","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 F6 P Ru -","- C26 H27 F6 P Ru -","- C104 H108 F24 P4 Ru4 -","4","1","","Mercier, Audrey; Yeo, Wee Chuan; Chou, Jingyu; Chaudhuri, Piyali Datta; Bernardinelli, Gérald; Kündig, E Peter","Synthesis of highly enantiomerically enriched planar chiral ruthenium complexes via Pd-catalysed asymmetric hydrogenolysis.","Chemical communications (Cambridge, England)","2009","34","35","5227","5229","10.1039/b910977c","","","0.71073","MoKα","","","0.019","","","","0.02","","","","","","1.35","","","","has coordinates","180150","2020-10-21","18:00:00",""
"7104706","5.8831","0.0013","11.837","0.003","17.492","0.005","90","","90","","90","","1218.1","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O3 -","- C15 H11 N O3 -","- C60 H44 N4 O12 -","4","1","","Chen, Yun; Li, Hui; Cai, Shuanglian","Luminescent N-arylphthalimidino derivatives 2- and 4-(1-oxo-1H-2,3-dihydroisoindol-2-yl)benzoic acid: examples of a new class of reaction induced crystallization for an organic compound.","Chemical communications (Cambridge, England)","2009","34","36","5392","5393","10.1039/b908853a","","","0.71073","MoKα","","0.1152","0.0709","","","0.1423","0.1666","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104834","5.49","0.0001","16.068","0.0005","21.878","0.0009","90","","90","","90","","1929.93","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","Gridley, Jonathan J.; Coogan, Michael P.; Knight, David W.; Malik, K. M. Abdul; Sharland, Christopher M.; Singkhonrat, Jirada; Williams, Siân","A stereoselective synthesis of anti-γ,δ-alkynyl- and -alkenyl-β-hydroxy-α-amino esters from tin(II) enolates of glycinate","Chemical Communications (Cambridge, United Kingdom)","2003","","20","2550","2551","10.1039/b306291k","","","0.71073","MoKα","","0.0905","0.0616","","","0.1236","0.1375","","","","","","1.036","","","","has coordinates","209783","2020-10-21","18:00:00",""
"7104859","13.353","0.008","17.002","0.006","33.065","0.017","90","","90","","90","","7507","6","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C69 H54 Br6 Fe2 O18 -","- C69 H54 Br6 Fe2 O18 -","- C276 H216 Br24 Fe8 O72 -","4","1","","Albrecht, Markus; Schmid, Sören; deGroot, Marita; Weis, Patrick; Fröhlich, Roland","Self-assembly of an unpolar enantiomerically pure helicate-type metalla-cryptand","Chemical Communications (Cambridge, United Kingdom)","2003","","20","2526","2527","10.1039/b309026d","","","0.71073","MoKα","","0.2219","0.1354","","","0.3017","0.3624","","","","","","1.055","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7104860","13.526","0.001","18.122","0.001","34.335","0.001","90","","90","","90","","8416.1","0.8","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C69 H56 Br6 Ga2 O19 -","- C69 H54 Br6 Ga2 O19 -","- C276 H216 Br24 Ga8 O76 -","4","1","","Albrecht, Markus; Schmid, Sören; deGroot, Marita; Weis, Patrick; Fröhlich, Roland","Self-assembly of an unpolar enantiomerically pure helicate-type metalla-cryptand","Chemical Communications (Cambridge, United Kingdom)","2003","","20","2526","2527","10.1039/b309026d","","","0.71073","MoKα","","0.1023","0.0694","","","0.1845","0.2033","","","","","","1.072","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7104861","9.2385","0.0005","11.4876","0.0006","17.0928","0.001","90","","90","","90","","1814.03","0.17","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 B F3 N3 -","- C21 H15 B F3 N3 -","- C84 H60 B4 F12 N12 -","4","1","","Cheng, Chung-Chih; Yu, Wei-Shan; Chou, Pi-Tai; Peng, Shie-Ming; Lee, Gene-Hsiang; Wu, Pei-Chi; Song, Yi-Hwa; Chi, Yun","Syntheses and remarkable photophysical properties of 5-(2-pyridyl) pyrazolate boron complexes; photoinduced electron transfer","Chemical Communications (Cambridge, United Kingdom)","2003","","20","2628","2629","10.1039/b309374c","","","0.71073","MoKα","","0.0541","0.048","","","0.1204","0.1244","","","","","","1.093","","","","has coordinates","210659","2020-10-21","18:00:00",""
"7104900","9.2118","0.0007","9.2989","0.0007","22.5174","0.0018","90","","90","","90","","1928.8","0.3","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl2 Cu N2 O2 S -","- C17 H16 Cl2 Cu N2 O2 S -","- C68 H64 Cl8 Cu4 N8 O8 S4 -","4","1","","Bolm, Carsten; Verrucci, Marinella; Simic, Oliver; Cozzi, Pier Giorgio; Raabe, Gerhard; Okamura, Hiroaki","A new class of C1-symmetric monosulfoximine ligands for enantioselective hetero Diels‒Alder reactions","Chemical Communications (Cambridge, United Kingdom)","2003","","22","2826","2827","10.1039/b309556h","","","0.71073","MoKα","","0.021","0.021","","0.022","","0.022","","","2.387","","","2.404","","","","has coordinates","209797","2020-10-21","18:00:00",""
"7104901","13.0095","0.0006","14.99","0.0008","16.971","0.001","90","","90","","90","","3309.6","0.3","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 Cu Fe Gd N8 O11 -","- C25 H20 Cu Fe Gd N8 O11 -","- C100 H80 Cu4 Fe4 Gd4 N32 O44 -","4","1","","Gheorghe, Ruxandra; Andruh, Marius; Costes, Jean-Pierre; Donnadieu, Bruno","A rational synthetic route leading to 3d‒3d'‒4f heterospin systems: self-assembly processes involving heterobinuclear 3d‒4f complexes and hexacyanometallates","Chemical Communications (Cambridge, United Kingdom)","2003","","22","2778","2779","10.1039/b310082k","","","0.71073","MoKα","","0.0289","0.0277","","","0.068","0.0688","","","","","","1.076","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7104902","12.945","0.003","15.01","0.003","16.955","0.003","90","","90","","90","","3294.3","1.1","180","2","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Co Cu Gd N8 O10.5 -","- C25 H17 Co Cu Gd N8 O10.5 -","- C100 H68 Co4 Cu4 Gd4 N32 O42 -","4","1","","Gheorghe, Ruxandra; Andruh, Marius; Costes, Jean-Pierre; Donnadieu, Bruno","A rational synthetic route leading to 3d‒3d'‒4f heterospin systems: self-assembly processes involving heterobinuclear 3d‒4f complexes and hexacyanometallates","Chemical Communications (Cambridge, United Kingdom)","2003","","22","2778","2779","10.1039/b310082k","","","0.71073","MoKα","","0.0611","0.0535","","","0.1309","0.1385","","","","","","1.056","","","","has coordinates","210721","2020-10-21","18:00:00",""
"7104916","5.8256","0.0004","14.5183","0.0012","27.76","0.003","90","","90","","90","","2347.9","0.4","150","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O10 S -","- C21 H26 O10 S -","- C84 H104 O40 S4 -","4","1","","Fascione, Martin A; Adshead, Sophie J; Stalford, Susanne A; Kilner, Colin A; Leach, Andrew G; Turnbull, W Bruce","Stereoselective glycosylation using oxathiane glycosyl donors.","Chemical communications (Cambridge, England)","2009","","39","5841","5843","10.1039/b913308a","","","0.71073","MoKα","","0.0452","0.037","","","0.0904","0.0964","","","","","","1.061","","","","has coordinates","180153","2020-10-21","18:00:00",""
"7104971","7.6471","0.0004","15.5793","0.0009","21.787","0.0013","90","","90","","90","","2595.6","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 O3 -","- C36 H28 O3 -","- C144 H112 O12 -","4","1","","Latorre, Alfonso; Urbano, Antonio; Carreño, M Carmen","Dynamic kinetic resolution in the asymmetric synthesis of atropisomeric biaryl[4] and [5]helicene quinones.","Chemical communications (Cambridge, England)","2009","","43","6652","6654","10.1039/b907653k","","","0.71073","MoKα","","0.0393","0.0308","","","0.0786","0.0854","","","","","","1.114","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7104977","6.7803","0.001","13.3388","0.0018","23.631","0.003","90","","90","","90","","2137.2","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br F O4 S2 -","- C22 H18 Br F O4 S2 -","- C88 H72 Br4 F4 O16 S8 -","4","1","","Liu, Wen-Bo; Zheng, Sheng-Cai; He, Hu; Zhao, Xiao-Ming; Dai, Li-Xin; You, Shu-Li","Iridium-catalyzed regio- and enantioselective allylic alkylation of fluorobis(phenylsulfonyl)methane.","Chemical communications (Cambridge, England)","2009","","43","6604","6606","10.1039/b914315g","","","0.71073","MoKα","","0.0911","0.0526","","","0.0809","0.0912","","","","","","0.888","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105005","10.0015","0.0012","14.7201","0.0017","21.396","0.002","90","","90","","90","","3150","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Cl6 N6 O4 -","- C26 H28 Cl6 N6 O4 -","- C104 H112 Cl24 N24 O16 -","4","1","","Carpanese, Cristina; Ferlay, Sylvie; Kyritsakas, Nathalie; Henry, Marc; Hosseini, Mir Wais","Molecular tectonics: design of 2-D networks by simultaneous use of charge-assisted hydrogen and coordination bonds.","Chemical communications (Cambridge, England)","2009","","44","6786","6788","10.1039/b908496g","","","0.71073","MoKα","","0.087","0.0672","","","0.1549","0.1709","","","","","","1.241","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105050","9.2353","0.001","16.2177","0.0018","17.641","0.002","90","","90","","90","","2642.2","0.5","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N3 O2 S3 -","- C29 H27 N3 O2 S3 -","- C116 H108 N12 O8 S12 -","4","1","","Xiong, Xiao-Feng; Jia, Zhi-Jun; Du, Wei; Jiang, Kun; Liu, Tian-Yu; Chen, Ying-Chun","Merging chiral organocatalysts: enantio- and diastereoselective direct vinylogous Mannich reaction of alkylimines.","Chemical communications (Cambridge, England)","2009","","45","6994","6996","10.1039/b917408g","","","0.71073","MoKα","","0.0319","0.0305","","","0.0716","0.0726","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105055","8.8036","0.001","13.0269","0.0015","19.063","0.002","90","","90","","90","","2186.2","0.4","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Cu N5 O9 -","- C22 H19 Cu N5 O9 -","- C88 H76 Cu4 N20 O36 -","4","1","","Kim, Min Jung; Swamy, K M K; Lee, Kyung Mi; Jagdale, Arun R; Kim, Youngmee; Kim, Sung-Jin; Yoo, Kyung Ho; Yoon, Juyoung","Pyrophosphate selective fluorescent chemosensors based on coumarin-DPA-Cu(II) complexes.","Chemical communications (Cambridge, England)","2009","","46","7215","7217","10.1039/b913809a","","","0.71073","MoKα","","0.0676","0.0421","","","0.0698","0.074","","","","","","0.838","","","","has coordinates","180154","2020-10-21","18:00:00",""
"7105069","9.325","0.002","15.529","0.004","19.495","0.004","90","","90","","90","","2823.1","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3","","","- C27 H36 Cl2 N2 Sn -","- C27 H36 Cl2 N2 Sn -","- C108 H144 Cl8 N8 Sn4 -","4","1","","Thimer, Kelsey C; Al-Rafia, S M Ibrahim; Ferguson, Michael J; McDonald, Robert; Rivard, Eric","Donor/acceptor stabilization of Ge(II) dihydride.","Chemical communications (Cambridge, England)","2009","","46","7119","7121","10.1039/b915950a","","","0.71073","MoKα","","0.1109","0.0596","","","0.1277","0.1513","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105085","7.3447","0.0002","14.1452","0.0003","14.2521","0.0004","90","","90","","90","","1480.68","0.07","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Fe N O -","- C17 H21 Fe N O -","- C68 H84 Fe4 N4 O4 -","4","1","","Jean-Baptiste Sortais; Tanja Voss; Gerald Kehr; Roland Fröhlich; Gerhard Erker","1,2-Olefin addition of a frustrated amine‒borane Lewis pair","Chem. Commun.","2009","","","7417","7418","10.1039/b915657g","","","0.71073","MoKα","","0.0388","0.0359","","","0.0863","0.0898","","","","","","1.019","","","","has coordinates","180154","2020-10-21","18:00:00",""
"7105090","9.3714","0.0002","11.8431","0.0002","25.5848","0.0005","90","","90","","90","","2839.57","0.1","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H37 B Fe O S -","- C35 H37 B Fe O S -","- C140 H148 B4 Fe4 O4 S4 -","4","1","","Ian R. Morgan; Angela Di Paolo; Dragoslav Vidovic; Ian A. Fallis; Simon Aldridge","Facile syntheses of dissymmetric ferrocene-functionalized Lewis acids and acid‒base pairs","Chem. Commun.","2009","","","7288","7290","10.1039/b917304h","","","0.71073","MoKα","","0.0536","0.0441","","0.1055","0.099","0.1055","","","","","","0.9797","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105095","8.9797","0.0008","15.387","0.001","29.293","0.003","90","","90","","90","","4047.5","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H35 Cl4 Cu2 N6 O4.5 -","- C36 H35 Cl4 Cu2 N6 O4.5 -","- C144 H140 Cl16 Cu8 N24 O18 -","4","1","","Rudrajit Mal; Nisha Mittal; Thomas J. Emge; Daniel Seidel","Facile synthesis of a chiral urea bridged bisoxazoline ligand and structural characterization of its bis-copper(II)-chloride complex","Chem. Commun.","2009","","","7309","7311","10.1039/b918735a","","","0.71073","MoKα","","0.1014","0.08","","","0.1722","0.183","","","","","","1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105142","11.7097","0.0016","16.84","0.002","21.042","0.003","90","","90","","90","","4149.2","1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C168 H176 N16 O32 S8 -","8","2","","Uraguchi, Daisuke; Koshimoto, Kyohei; Ooi, Takashi","Flexible synthesis, structural determination, and synthetic application of a new C1-symmetric chiral ammonium betaine.","Chemical communications (Cambridge, England)","2009","46","2","300","302","10.1039/b916627k","","","0.71073","MoKα","","0.0824","0.0627","","","0.1196","0.1277","","","","","","1.084","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105144","6.1888","0.0004","10.092","0.0006","24.6826","0.0017","90","","90","","90","","1541.61","0.17","298","2","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Br N O S -","- C14 H20 Br N O S -","- C56 H80 Br4 N4 O4 S4 -","4","1","","Reddy, Leleti Rajender; Prashad, Mahavir","Asymmetric synthesis of 2-substituted pyrrolidines by addition of Grignard reagents to gamma-chlorinated N-tert-butanesulfinyl imine.","Chemical communications (Cambridge, England)","2009","46","2","222","224","10.1039/b917435d","","","0.71073","MO-Kα","","0.071","0.034","","","0.064","0.077","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105173","8.938","0.005","11.859","0.005","13.215","0.005","90","0.005","90","0.005","90","0.005","1400.7","1.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Cd N4 O4 -","- C12 H14 Cd N4 O4 -","- C48 H56 Cd4 N16 O16 -","4","1","","Qin, Jie; Qin, Chao; Wang, Xin-Long; Wang, En-Bo; Su, Zhong-Min","Metal-organic replica of chiral natural material beta-SnF(2): an enantiopure binodal (3,5)-connected net based on triangular and trigonal bipyramidal coordination.","Chemical communications (Cambridge, England)","2010","46","4","604","606","10.1039/b914582f","","","0.71069","MoKα","","0.0494","0.0339","","","0.0534","0.0582","","","","","","1.003","","","","has coordinates","180155","2020-10-21","18:00:00",""
"7105194","10.1881","0.001","11.5427","0.0012","15.3396","0.0015","90","","90","","90","","1803.9","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C72 H96 O28 -","4","1","","Sunasee, Rajesh; Clive, Derrick L J","Desymmetrization of 4-hydroxy-2,5-cyclohexadienones by radical cyclization: synthesis of optically pure gamma-lactones.","Chemical communications (Cambridge, England)","2010","46","5","701","703","10.1039/b920884d","","","0.71073","MoKα","","0.0507","0.0385","","","0.0847","0.0909","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105265","6.9369","0.0014","7.2436","0.0014","36.835","0.007","90","","90","","90","","1850.9","0.6","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br Cl O3 -","- C21 H22 Br Cl O3 -","- C84 H88 Br4 Cl4 O12 -","4","1","","Cai, Yunfei; Wang, Wentao; Shen, Ke; Wang, Jun; Hu, Xiaolei; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Highly enantioselective α-chlorination of cyclic β-ketoesters catalyzed by N,N′-Dioxide using NCS as the chlorine source","Chemical Communications","2010","46","8","1250","","10.1039/b922769e","","","0.71073","MoKα","","0.0732","0.0572","","","0.1357","0.151","","","","","","1.094","","","","has coordinates","180156","2020-10-21","18:00:00",""
"7105269","9.7742","0.0008","15.7902","0.0013","18.9829","0.0016","90","","90","","90","","2929.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 Br N O7 -","- C29 H36 Br N O7 -","- C116 H144 Br4 N4 O28 -","4","1","","Xue, Zhi-Yong; Liu, Tang-Lin; Lu, Zhou; Huang, He; Tao, Hai-Yan; Wang, Chun-Jiang","exo-Selective asymmetric 1,3-dipolar cycloaddition of azomethine ylides with alkylidene malonates catalyzed by AgOAc/TF-BiphamPhos.","Chemical communications (Cambridge, England)","2010","46","10","1727","1729","10.1039/b919625k","","","0.71073","MoKα","","0.0671","0.0437","","","0.1004","0.1127","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105271","11.202","0.002","11.863","0.002","22.167","0.005","90","","90","","90","","2945.5","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 Br N O6 -","- C29 H36 Br N O6 -","- C116 H144 Br4 N4 O24 -","4","1","","Xue, Zhi-Yong; Liu, Tang-Lin; Lu, Zhou; Huang, He; Tao, Hai-Yan; Wang, Chun-Jiang","exo-Selective asymmetric 1,3-dipolar cycloaddition of azomethine ylides with alkylidene malonates catalyzed by AgOAc/TF-BiphamPhos.","Chemical communications (Cambridge, England)","2010","46","10","1727","1729","10.1039/b919625k","","","0.71073","MoKα","","0.0707","0.0523","","","0.1338","0.146","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105307","12.976","0.004","20.197","0.007","21.226","0.007","90","","90","","90","","5563","3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H86 Cl N4 Ni -","- C60 H86 Cl N4 Ni -","- C240 H344 Cl4 N16 Ni4 -","4","1","","Miyazaki, Satoshi; Koga, Yuji; Matsumoto, Taisuke; Matsubara, Kouki","A new aspect of nickel-catalyzed Grignard cross-coupling reactions: selective synthesis, structure, and catalytic behavior of a T-shape three-coordinate nickel(I) chloride bearing a bulky NHC ligand.","Chemical communications (Cambridge, England)","2010","46","11","1932","1934","10.1039/b924716e","","","0.7107","MoKα","","0.0878","0.0691","","","0.1704","0.182","","","","","","1.094","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105314","10.7973","0.0014","14.288","0.0018","15.311","0.002","90","","90","","90","","2362","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Br N2 O3 S -","- C22 H25 Br N2 O3 S -","- C88 H100 Br4 N8 O12 S4 -","4","1","","Ji, Du-Ming; Xu, Ming-Hua","Highly diastereoselective Friedel-Crafts reaction of indoles with an N-tert-butanesulfinylimino ester: an efficient and practical approach to enantiomerically enriched alpha-(3-indolyl)glycines.","Chemical communications (Cambridge, England)","2010","46","9","1550","1552","10.1039/b914687c","","","0.71073","MoKα","","0.1533","0.071","","","0.194","0.229","","","","","","0.918","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105318","8.2676","0.0008","11.1516","0.0011","11.23","0.0011","90","","90","","90","","1035.37","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H4 N6 S4 Zn -","- C4 H4 N6 S4 Zn -","- C16 H16 N24 S16 Zn4 -","4","1","","Chen, Shan-Ci; Zhang, Jian; Yu, Rong-Min; Wu, Xiao-Yuan; Xie, Yi-Ming; Wang, Fei; Lu, Can-Zhong","Spontaneous asymmetrical crystallization of a three-dimensional diamondoid framework material from achiral precursors.","Chemical communications (Cambridge, England)","2010","46","9","1449","1451","10.1039/b919836a","","","0.71073","MoKα","","0.0379","0.0299","","","0.0619","0.0808","","","","","","1.156","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105333","8.5061","0.0006","12.7978","0.0009","19.4743","0.0014","90","","90","","90","","2120","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 F3 N2 O5 -","- C20 H23 F3 N2 O5 -","- C80 H92 F12 N8 O20 -","4","1","","Sephton, Mark A; Emerson, Christopher R; Zakharov, Lev N; Blakemore, Paul R","Spontaneous symmetry breaking during interrupted crystallization of an axially chiral amino acid derivative.","Chemical communications (Cambridge, England)","2010","46","12","2094","2096","10.1039/b922028c","","","0.71073","MoKα","","0.0498","0.0468","","","0.1273","0.1304","","","","","","1.055","","","","has coordinates,has disorder","180157","2020-10-21","18:00:00",""
"7105356","8.9298","0.0005","13.1258","0.0008","33.338","0.002","90","","90","","90","","3907.6","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H63 Au2 F6 P2 Sb -","- C30 H63 Au2 F6 P2 Sb -","- C120 H252 Au8 F24 P8 Sb4 -","4","1","","Hooper, Thomas N; Green, Michael; Russell, Christopher A","Cationic Au(I) alkyne complexes: synthesis, structure and reactivity.","Chemical communications (Cambridge, England)","2010","46","13","2313","2315","10.1039/b923900f","","x-ray","0.71074","MoKα","","0.0407","0.0309","","","0.0606","0.065","","","","","","0.846","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105375","8.8851","0.0003","12.8368","0.0005","19.7416","0.0009","90","","90","","90","","2251.65","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O6 -","- C25 H22 N2 O6 -","- C100 H88 N8 O24 -","4","1","","Xu, Zhen-Jiang; Zhu, Di; Zeng, Xiaofei; Wang, Fei; Tan, Bin; Hou, Yuxuan; Lv, Yunbo; Zhong, Guofu","Diastereoselective HOTf-catalyzed three-component one-pot 1,3-dipolar cycloaddition of alpha-diazo ester, nitrosobenzene and electron-deficient alkene.","Chemical communications (Cambridge, England)","2010","46","14","2504","2506","10.1039/b924575h","","","0.71073","MoKα","","0.093","0.05","","","0.1074","0.1533","","","","","","1.091","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105390","10.104","0.0004","10.81","0.0005","10.993","0.0005","90","","90","","90","","1200.7","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 Co N2 O6 P2 -","- C6 H16 Co N2 O6 P2 -","- C24 H64 Co4 N8 O24 P8 -","4","1","","Liu, Xianchun; Xing, Yan; Wang, Xinlong; Xu, Hongbin; Liu, Xizheng; Shao, Kuizhan; Su, Zhongmin","Chirality and magnetism of an open-framework cobalt phosphite containing helical channels from achiral materials","Chemical Communications (Cambridge, United Kingdom)","2010","46","15","2614","2616","10.1039/b923028a","","","0.71069","MoKα","","0.0221","0.0209","","","0.0603","0.0608","","","","","","1.084","","","","has coordinates","210697","2020-10-21","18:00:00",""
"7105391","10.1","0.005","10.796","0.005","10.982","0.005","90","0.005","90","0.005","90","0.005","1197.5","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 Co N2 O6 P2 -","- C6 H16 Co N2 O6 P2 -","- C24 H64 Co4 N8 O24 P8 -","4","1","","Liu, Xianchun; Xing, Yan; Wang, Xinlong; Xu, Hongbin; Liu, Xizheng; Shao, Kuizhan; Su, Zhongmin","Chirality and magnetism of an open-framework cobalt phosphite containing helical channels from achiral materials","Chemical Communications (Cambridge, United Kingdom)","2010","46","15","2614","2616","10.1039/b923028a","","","0.71069","MoKα","","0.0251","0.0237","","","0.0676","0.0684","","","","","","1.068","","","","has coordinates","210697","2020-10-21","18:00:00",""
"7105393","13.6581","0.0002","32.4156","0.0005","40.5791","0.0006","90","","90","","90","","17965.8","0.5","123","2","123","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C52 H61.33 Ag B F3 N6 O5.17 S -","- C52 H48 Ag B F3 N6 O5.16667 S -","- C624 H576 Ag12 B12 F36 N72 O62 S12 -","12","3","","Liu, Yan; Xu, Xin; Xia, Qingchun; Yuan, Guozan; He, Qizhuang; Cui, Yong","Multiple topological isomerism of three-connected networks in silver-based metal‒organoboron frameworks","Chemical Communications","2010","46","15","2608","","10.1039/b923365b","","","1.54178","CuKα","","0.1155","0.0968","","","0.2381","0.2562","","","","","","1.164","","","","has coordinates","180157","2020-10-21","18:00:00",""
"7105406","8.7886","0.0013","12.2877","0.0019","19.835","0.003","90","","90","","90","","2142","0.6","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N O4 S -","- C25 H21 N O4 S -","- C100 H84 N4 O16 S4 -","4","1","","Li, Jun-Long; Zhou, Si-Li; Han, Bo; Wu, Li; Chen, Ying-Chun","Aminocatalytic asymmetric inverse-electron-demand aza-Diels‒Alder reaction of N-Ts-1-aza-1,3-butadienes based on coumarin cores","Chemical Communications","2010","46","15","2665","","10.1039/b925424b","","","0.71073","MoKα","","0.0355","0.0334","","","0.0738","0.0751","","","","","","0.998","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105414","9.548","0.001","14.2375","0.0015","14.8769","0.0015","90","","90","","90","","2022.4","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 Fe N7 O7 S -","- C15 H27 Fe N7 O7 S -","- C60 H108 Fe4 N28 O28 S4 -","4","1","","Park, Young Jun; Sickerman, Nathaniel S.; Ziller, Joseph W.; Borovik, A. S.","Utilizing tautomerization of 2-amino-oxazoline in hydrogen bonding tripodal ligands","Chemical Communications","2010","46","15","2584","","10.1039/c000160k","","","0.71073","MoKα","","0.0252","0.0231","","","0.058","0.0589","","","","","","1.035","","","","has coordinates","180158","2020-10-21","18:00:00",""
"7105425","8.6978","0.0003","9.0256","0.0003","23.8222","0.0009","90","","90","","90","","1870.11","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 O3 -","- C24 H22 O3 -","- C96 H88 O12 -","4","1","","Zhu, Yingguang; Zhai, Changwei; Yang, Liping; Hu, Wenhao","Copper(II)-catalyzed highly diastereoselective three-component reactions of aryl diazoacetates with alcohols and chalcones: an easy access to furan derivatives.","Chemical communications (Cambridge, England)","2010","46","16","2865","2867","10.1039/b924845e","","","0.71073","MoKα","","0.0302","0.0293","","","0.0734","0.0742","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105493","7.094","0.0003","13.9197","0.0005","18.7501","0.0009","90","","90","","90","","1851.5","0.14","93.1","","93.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H10 N4 S4 -","- C22 H10 N4 S4 -","- C88 H40 N16 S16 -","4","1","","Kono, Takahiro; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro","Dithienylbenzobis(thiadiazole) based organic semiconductors with low LUMO levels and narrow energy gaps","Chemical Communications","2010","46","19","3265","3267","10.1039/b925151k","","","0.71075","MoKα","","","0.0532","","","","0.1459","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105504","17.4828","0.0018","25.766","0.002","25.784","0.002","90","","90","","90","","11614.7","1.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C122 H173 O10.5 U2 -","- C122 H173 O10.5 U2 -","- C488 H692 O42 U8 -","4","1","","Lam, Oanh P.; Bart, Suzanne C.; Kameo, Hajime; Heinemann, Frank W.; Meyer, Karsten","Insights into the mechanism of carbonate formation through reductive cleavage of carbon dioxide with low-valent uranium centers","Chemical Communications","2010","46","18","3137","3139","10.1039/b927142b","","","0.71073","MoKα","","0.0824","0.0435","","","0.0706","0.0798","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105521","10.3414","0.0002","12.366","0.0003","30.667","0.0007","90","","90","","90","","3921.75","0.15","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Br2 F6 N2 P2 Pt -","- C30 H32 Br2 F6 N2 P2 Pt -","- C120 H128 Br8 F24 N8 P8 Pt4 -","4","1","","Yahav-Levi, Anette; Goldberg, Israel; Vigalok, Arkadi; Vedernikov, Andrei N.","Aryl-bromide reductive elimination from an isolated Pt(iv) complex","Chemical Communications","2010","46","19","3324","3326","10.1039/c001487g","","","0.71073","MoKα","","0.0884","0.0532","","","0.1384","0.1524","","","","","","1.044","","","","has coordinates","180159","2020-10-21","18:00:00",""
"7105522","7.8934","0.0002","15.6326","0.0005","24.5087","0.0009","90","","90","","90","","3024.24","0.17","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 F6 N2 P2 Pt -","- C30 H32 F6 N2 P2 Pt -","- C120 H128 F24 N8 P8 Pt4 -","4","1","","Yahav-Levi, Anette; Goldberg, Israel; Vigalok, Arkadi; Vedernikov, Andrei N.","Aryl-bromide reductive elimination from an isolated Pt(iv) complex","Chemical Communications","2010","46","19","3324","3326","10.1039/c001487g","","","0.71073","MoKα","","0.0648","0.0467","","","0.1122","0.1227","","","","","","1.058","","","","has coordinates","180159","2020-10-21","18:00:00",""
"7105524","7.575","0.0008","12.048","0.0012","16.684","0.0017","90","","90","","90","","1522.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Zhang, Lingjuan; Xu, Xianxiu; Tan, Jing; Pan, Ling; Xia, Wenming; Liu, Qun","Tandem Michael addition/intramolecular isocyanide [3 + 2] cycloaddition: highly diastereoselective one pot synthesis of fused oxazolines","Chemical Communications","2010","46","19","3357","3359","10.1039/c001617a","","","0.71069","MoKα","","0.0851","0.0523","","","0.1323","0.1518","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105525","4.232","0.002","8.03","0.005","23.829","0.005","90","0.005","90","0.005","90","0.005","809.8","0.7","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 N5 -","- C8 H7 N5 -","- C32 H28 N20 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Silver-catalyzed intramolecular cyclization of 9-propargyladenine via N3 alkylation","Chemical Communications","2010","46","19","3312","3314","10.1039/c001947j","","","0.71069","MoKα","","0.122","0.0516","","","0.1163","0.1271","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105529","12.5103","0.0001","19.3211","0.0002","20.347","0.0003","90","","90","","90","","4918.13","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H38 B F25 P Rh -","- C49 H38 B F25 P Rh -","- C196 H152 B4 F100 P4 Rh4 -","4","1","","Dallanegra, Romaeo; Chaplin, Adrian B.; Tsim, Jennifer; Weller, Andrew S.","Amino-borane oligomers bound to a Rh(i) metal fragment","Chemical Communications","2010","46","18","3092","3094","10.1039/c003055d","","","0.71073","MoKα","","0.0595","0.0406","","","0.0904","0.0986","","","","","","1.023","","","","has coordinates,has disorder","180159","2020-10-21","18:00:00",""
"7105532","12.784","0.003","13.268","0.003","34.336","0.007","90","","90","","90","","5824","2","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H69 B2 F8 N4 Ni O6 -","- C44 H70 B2 F8 N4 Ni O6 -","- C176 H280 B8 F32 N16 Ni4 O24 -","4","1","","Zheng, Ke; Liu, Xiaohua; Zhao, Jiannan; Yang, Yang; Lin, Lili; Feng, Xiaoming","Highly enantioselective aza-ene-type reaction catalyzed by chiral N,N'-dioxide-nickel(II) complex.","Chemical communications (Cambridge, England)","2010","46","21","3771","3773","10.1039/b921042c","","","0.71073","MoKα","","0.0936","0.0784","","","0.2144","0.2286","","","","","","1.048","","","","has coordinates","180159","2020-10-21","18:00:00",""
"7105533","5.5934","0.0011","7.4974","0.0015","31.91","0.006","90","","90","","90","","1338.2","0.5","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O3 -","- C16 H13 Br O3 -","- C64 H52 Br4 O12 -","4","1","","Zheng, Ke; Liu, Xiaohua; Zhao, Jiannan; Yang, Yang; Lin, Lili; Feng, Xiaoming","Highly enantioselective aza-ene-type reaction catalyzed by chiral N,N'-dioxide-nickel(II) complex.","Chemical communications (Cambridge, England)","2010","46","21","3771","3773","10.1039/b921042c","","","0.71073","MoKα","","0.0395","0.0347","","","0.0666","0.0684","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105557","4.8768","0.0002","7.2147","0.0003","28.5203","0.0011","90","","90","","90","","1003.48","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Bredikhin, Alexander A.; Bredikhina, Zemfira A.; Akhatova, Flyura S.; Gubaidullin, Aidar T.","p-Tolyl glycerol ether: is it possible to find more simple molecular organogelator with pronounced chirality driven properties?","Chemical communications (Cambridge, England)","2010","46","20","3523","3525","10.1039/b924948f","","","1.54178","CuKα","","0.0294","0.0288","","","0.0764","0.0771","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105628","15.6428","0.0008","17.0104","0.0011","25.576","0.0016","90","","90","","90","","6805.5","0.7","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 Cl N O P Pd -","- C41 H39 Cl N O P Pd -","- C328 H312 Cl8 N8 O8 P8 Pd8 -","8","2","","Yinhua Huang; Sumod A. Pullarkat; Yongxin Li; Pak-Hing Leung","Palladium (II)-Catalyzed Asymmetric Hydrophosphination of Enones: Efficient Access to Chiral Tertiary Phosphines","Chem. Commun.","2010","46","37","6950","6952","10.1039/c0cc00925c","","","0.71073","MoKα","","0.0522","0.0362","","","0.0781","0.0962","","","","","","1.093","","","","has coordinates","180160","2020-10-21","18:00:00",""
"7105630","11.1174","0.0005","25.9601","0.0012","27.1473","0.0012","90","","90","","90","","7835","0.6","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C88 H108 Li2 N4 O2 Si2 Y2 -","- C88 H108 Li2 N4 O2 Si2 Y2 -","- C352 H432 Li8 N16 O8 Si8 Y8 -","4","1","","Chapurina, Yulia; Hannedouche, Jérôme; Collin, Jacqueline; Guillot, Régis; Schulz, Emmanuelle; Trifonov, Alexander","Well-defined and easily accessible yttrium complexes for enantioselective cyclisation of amines tethered to 1,2-di-substituted alkenes","Chemical Communications (Cambridge, United Kingdom)","2010","46","37","6918","6920","10.1039/c0cc01064b","","x-ray","0.71073","MoKα","","0.0657","0.0432","","","0.092","0.0997","","","","","","1.028","","","","has coordinates,has disorder","208973","2020-10-21","18:00:00",""
"7105643","6.7534","0.0001","14.3493","0.0003","14.7955","0.0003","90","","90","","90","","1433.78","0.05","296.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O5 S2 -","- C11 H16 N2 O6 S2 -","- C44 H64 N8 O24 S8 -","4","1","","Baba, Takeshi; Kodama, Tetsuya; Mori, Kazuto; Imanishi, Takeshi; Obika, Satoshi","A novel bridged nucleoside bearing a conformationally switchable sugar moiety in response to redox changes.","Chemical communications (Cambridge, England)","2010","46","42","8058","8060","10.1039/c0cc02484h","","","1.54187","CuKα","","","0.0404","","","","0.1059","","","","","","0.856","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105651","28.915","0.001","5.1255","0.0003","4.0006","0.0002","90","","90","","90","","592.9","0.05","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CuMP","","","- C6 H5 Cu O S -","- C6 H5 Cu O S -","- C24 H20 Cu4 O4 S4 -","4","1","","Low, Kam-Hung; Roy, V. A. L.; Chui, Stephen Sin-Yin; Chan, Sharon Lai-Fung; Che, Chi-Ming","Highly conducting two-dimensional copper(i) 4-hydroxythiophenolate network","Chemical Communications","2010","46","39","7328","","10.1039/c0cc02348e","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180160","2020-10-21","18:00:00",""
"7105685","8.4109","0.0005","15.8263","0.001","39.84","0.003","90","","90","","90","","5303.2","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H41 Cl3 P2 S -","- C21 H41 Cl3 P2 S -","- C168 H328 Cl24 P16 S8 -","8","2","","Huang, Kexuan; Zhang, Xiaowei; Emge, Thomas J.; Hou, Guohua; Cao, Bonan; Zhang, Xumu","Design and synthesis of a novel three-hindered quadrant bisphosphine ligand and its application in asymmetric hydrogenation","Chemical Communications (Cambridge, United Kingdom)","2010","46","45","8555","8557","10.1039/c0cc02620d","","","0.71073","MoKα","","0.0651","0.0593","","","0.1296","0.1324","","","","","","1.006","","","","has coordinates,has disorder","210745","2020-10-21","18:00:00",""
"7105715","9.7048","0.0004","13.146","0.0003","17.5916","0.0006","90","","90","","90","","2244.32","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8.5 H8 Cl2 Eu N4 O0.5 -","- C8.5 H8 Cl2 Eu N4 O0.5 -","- C68 H64 Cl16 Eu8 N32 O4 -","8","2","","Gaël Zucchi; Pierre Thuéry; Eric Rivière; Michel Ephritikhine","Europium(II) Compounds: Simple Synthesis of a Molecular Complex in Water and Coordination Polymers with 2,2-Bipyrimidine Mediated Ferromagnetic Interactions","Chem.Commun.","2010","46","","9143","9145","10.1039/c0cc02539a","","","0.71073","MoKα","","0.0262","0.0231","","","0.055","0.0566","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105722","10.7127","0.0015","11.689","0.0016","15.5054","0.0017","90","","90","","90","","1941.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H33 B3 N4 O3 -","- C14 H33 B3 N4 O3 -","- C56 H132 B12 N16 O12 -","4","1","","Vellaisamy Kasipandi; Venkatachalam Ramkumar","Pseudo alkaloid from Ala-Ala dipeptide. A novel synthetic approach towards complex molecular framework.","Chem.Commun.","2010","46","","9212","","10.1039/c0cc03355c","","","0.71073","MoKα","","0.0798","0.0501","","","0.1147","0.1284","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105723","10.199","0.001","16.574","0.002","17.054","0.002","90","","90","","90","","2882.8","0.6","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Z)-ethyl 2-(6-(tert.butyldimethylsiloxyl)benzo(d)(1,3)dioxol- 5-yl)-2-(diphenylphosphorylimino)acetate","(Z)-ethyl 2-(6-(tert.butyldimethylsiloxyl)benzo[d][1,3]dioxol-5-yl)- 2-(diphenylphosphorylimino)acetate","","- C29 H34 N O6 P Si -","- C29 H34 N O6 P Si -","- C116 H136 N4 O24 P4 Si4 -","4","1","","Patrick Gross; Filipp Furche; Martin Nieger; Stefan Brase","Asymmetric Total Synthesis of (+)-Fumimycin via 1,2-Addition to Ketimines","Chem.Commun.","2010","46","","9215","","10.1039/c0cc03399e","","","0.71073","MoKα","","0.0318","0.0273","","","0.0682","0.0711","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105738","12.595","0.003","19.333","0.004","19.909","0.004","90","","90","","90","","4847.8","1.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Cl8 N12 Pd3 S6 Si2 -","- C28 H38 Cl8 N12 Pd3 S6 Si2 -","- C112 H152 Cl32 N48 Pd12 S24 Si8 -","4","1","","Felix Armbruster; Jens Meyer; Alexander Baldes; Pascual Ona Burgos; Ignacio Fernandez; Frank Breher","A triangulo palladium cluster consisting of m3-capping silyl ligands","Chem.Commun.","2011","47","","221","","10.1039/c002435j","","","0.71073","MoKα","","0.0496","0.0449","","","0.104","0.1085","","","","","","1.093","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105749","17.463","0.003","18.144","0.003","46.054","0.007","90","","90","","90","","14592","4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C102 H188 Mn17 N19 Na O51 -","- C88 H163 Mn17 N13.5 Na O51 -","- C352 H652 Mn68 N54 Na4 O204 -","4","1","","Theocharis Stamatatos; Dolos Foguet-Albiol; Wolfgang Wernsdorfer; Khalil Abboud; George Christou","Structural aesthetics in molecular 3d-metal cluster chemistry: mixed-valence Mn17, Mn18 and {Mn62}n complexes from the use of triethanolamine","Chem.Commun.","2011","47","","274","","10.1039/c0cc01701a","","","0.71073","MoKα","","0.1429","0.0972","","","0.2053","0.2245","","","","","","1.124","","","","has coordinates,has disorder","180161","2020-10-21","18:00:00",""
"7105774","7.6316","0.001","7.8947","0.0009","25.267","0.004","90","","90","","90","","1522.3","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Au Cl N3 -","- C16 H15 Au Cl N3 -","- C64 H60 Au4 Cl4 N12 -","4","1","","Kelly Kilpin; Ursula Paul; Ai-Lan Lee; James Crowley","Gold(I) âClickâ 1,2,3-triazolylidenes: Synthesis, Self-Assembly and Catalysis.","Chem.Commun.","2011","47","","328","","10.1039/c0cc02185g","","","0.71073","MoKα","","0.0196","0.0175","","","0.0378","0.0385","","","","","","1.046","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7105848","9.5132","0.001","18.4101","0.0016","30.0492","0.0019","90","","90","","90","","5262.8","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H80 Al2 N4 O2 Zn -","- C57 H80 Al2 N4 O2 Zn -","- C228 H320 Al8 N16 O8 Zn4 -","4","1","","Janusz Lewinski; Tomasz Kaczorowski; Iwona Justyniak; Daniel Prochowicz","Development of Chiral N,N-Ditopic Metalloligands Based on Cinchona Alkaloids for Constructing Homochiral Coordination Polymers","Chem.Commun.","2011","47","","950","","10.1039/c0cc03586f","","","0.71073","MoKα","","0.0943","0.0706","","","0.1496","0.1642","","","","","","0.999","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105852","11.356","0.002","16.525","0.004","18.416","0.004","90","","90","","90","","3455.9","1.3","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C168 H160 N16 -","8","2","","Christopher Lawson; Alexandra Slawin; Nicholas Westwood","Application of the copper catalysed N-arylation of amidines in the synthesis of analogues of the chemical tool, Blebbistatin","Chem.Commun.","2011","47","","1057","","10.1039/c0cc03624b","","","0.71073","MoKα","","0.0758","0.0561","","","0.1291","0.1419","","","","","","1.095","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105868","9.5455","0.0006","14.7281","0.001","20.673","0.002","90","","90","","90","","2906.4","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 N3 O6 -","- C32 H33 N3 O6 -","- C128 H132 N12 O24 -","4","1","","Huaimin Wang; Zheng Wang; Xiaoyi Yi; Jiafu Long; Jianfeng Liu; Zhimou Yang","Anti-degradation of a recombinant complex protein by incoporation in small molecular hydrogels","Chem.Commun.","2011","47","","955","","10.1039/c0cc04249h","","","1.54178","CuKα","","0.0613","0.038","","","0.0667","0.0711","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105884","10.4553","0.0011","19.2177","0.0019","26.395","0.003","90","","90","","90","","5303.5","1","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C53 H46 Au Cl3 F3 O4 P4 Rh S -","- C53 H46 Au Cl3 F3 O4 P4 Rh S -","- C212 H184 Au4 Cl12 F12 O16 P16 Rh4 S4 -","4","1","","Thomas S. Teets; Markus P. Neumann; Daniel G. Nocera","Heterobimetallic Rhodium-Gold Halide and Hydride Complexes","Chem.Commun.","2011","47","","1485","","10.1039/c0cc03261a","","","0.71073","MoKα","","0.0287","0.0258","","","0.0583","0.0591","","","","","","1.041","","","","has coordinates","180162","2020-10-21","18:00:00",""
"7105926","5.1624","0.0002","17.4656","0.0006","18.1124","0.0006","90","","90","","90","","1633.09","0.1","173.1","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 I N O2 S -","- C16 H16 I N O2 S -","- C64 H64 I4 N4 O8 S4 -","4","1","","Satoshi Minakata; Junpei Hayakawa","Iodoamidation of olefins with chloramine salts and iodine in aqueous media","Chem.Commun.","2011","47","","1905","","10.1039/c0cc03855e","","","1.54187","CuKα","","","0.0759","","","","0.214","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105927","12.7233","0.0011","13.828","0.0013","14.6781","0.0013","90","","90","","90","","2582.4","0.4","223.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H46 Ni P2 -","- C25 H46 Ni P2 -","- C100 H184 Ni4 P8 -","4","1","","Timothy Schmeier; Nilay Hazari; Christopher Incarvito; Jevgenij Raskatov","Exploring the Reactions of CO2 with PCP Supported Nickel Complexes","Chem.Commun.","2011","47","","1824","","10.1039/c0cc03898a","","","0.71075","MoKα","","","0.0522","","","","0.1224","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7105944","11.184","0.003","13.48","0.004","19.194","0.005","90","","90","","90","","2893.7","1.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 Cl2 F3 Fe P2 Pd -","- C30 H35 Cl2 F3 Fe P2 Pd -","- C120 H140 Cl8 F12 Fe4 P8 Pd4 -","4","1","","Jonas Buergler; Antonio Togni","Chiral trifluoromethylphosphines: a new stereoselective synthesis of Josiphos-type ligands containing two stereogenic phosphorus atoms","Chem.Commun.","2011","47","","1896","","10.1039/c0cc04606j","","","0.71073","MoKα","","0.0825","0.0708","","","0.1286","0.1329","","","","","","1.146","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105964","11.2996","0.0007","13.4269","0.0008","28.789","0.002","90","","90","","90","","4367.8","0.5","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","Dichloro-palladium-complex","Dichloro-palladium-complex","","- C37 H49 Cl6 N O3 P2 Pd Si -","- C37 H49 Cl6 N O3 P2 Pd Si -","- C148 H196 Cl24 N4 O12 P8 Pd4 Si4 -","4","1","","Tobias Posset; Johannes Guenther; Jacqueline Pope; Thomas Oeser; Janet Blumel","Immobilized Sonogashira Catalyst Systems: New Insights by Multinuclear HRMAS NMR Studies","Chem.Commun.","2011","47","","2059","","10.1039/c0cc04194g","","","0.71073","MoKα","","0.037","0.0337","","","0.0781","0.0792","","","","","","1.126","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105966","10.7245","0.0005","14.2333","0.001","18.2023","0.0009","90","","90","","90","","2778.5","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H38 N3 O7 -","- C25 H39 N3 O7 -","- C100 H156 N12 O28 -","4","1","","Poulami Jana; Sibaprasad Maity; Suman Kumar Maity; Debasish Haldar","A new peptide motif in the formation of supramolecular double helices","Chem.Commun.","2011","47","","2092","","10.1039/c0cc04244g","","","0.71073","MoKα","","0.07","0.0409","","","0.1087","0.1428","","","","","","0.793","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105967","10.6501","0.0005","14.1442","0.0005","18.3996","0.0008","90","","90","","90","","2771.7","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 N3 O7 -","- C25 H39 N3 O7 -","- C100 H156 N12 O28 -","4","1","","Poulami Jana; Sibaprasad Maity; Suman Kumar Maity; Debasish Haldar","A new peptide motif in the formation of supramolecular double helices","Chem.Commun.","2011","47","","2092","","10.1039/c0cc04244g","","","0.71073","MoKα","","0.0443","0.0366","","","0.1002","0.111","","","","","","0.893","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7105969","5.9976","0.0004","7.8816","0.0006","19.2462","0.0014","90","","90","","90","","909.78","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Cu N8 -","- C6 H8 Cu N8 -","- C24 H32 Cu4 N32 -","4","1","","Sabbani Supriya; Samar K. Das","Solid-to-solid formation at the solid–liquid interface leading to a chiral coordination polymer from an achiral monomer","Chem.Commun.","2011","47","","2062","","10.1039/c0cc04375c","","","0.71073","MoKα","","0.0318","0.0296","","","0.0669","0.0678","","","","","","1.085","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105976","9.2813","0.0002","13.9405","0.0003","14.3069","0.0003","90","","90","","90","","1851.11","0.07","123","1","123","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O4 S -","- C19 H25 N O4 S -","- C76 H100 N4 O16 S4 -","4","1","","Felix Voss; Eberhardt Herdtweck; Thorsten Bach","Hydrogen bond induced enantiselectivity in Mn(salen)-catalysed sulfoxidation reactions","Chem.Commun.","2011","47","","2137","","10.1039/c0cc04636a","","","1.5418","CuKα","","0.0193","0.019","","","0.0475","0.0476","","","","","","1.069","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7105977","7.1991","0.0008","14.1332","0.0015","25.829","0.003","90","","90","","90","","2628","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Cl Ir P -","- C33 H31 Cl Ir P -","- C132 H124 Cl4 Ir4 P4 -","4","1","","Leen E. E. Broeckx; Martin Lutz; Dieter Vogt; Christian Muller","C-H Activation of 2,4,6-Triphenylphosphinine: Unprecedented Formation of Cyclometalated [(P^C)Ir(III)] and [(P^C)Rh(III)] Complexes","Chem.Commun.","2011","47","","2003","","10.1039/c0cc04660d","","","0.71073","MoKα","","0.0314","0.0261","","","0.0584","0.061","","","","","","1.051","","","","has coordinates","180163","2020-10-21","18:00:00",""
"7106005","8.689","0.002","12.097","0.003","16.266","0.004","90","","90","","90","","1709.7","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N6 O2 P -","- C15 H15 N6 O2 P -","- C60 H60 N24 O8 P4 -","4","1","","Ning Li; Feilong Jiang; Lian Chen; Xingjun Li; Qihui Chen; Maochun Hong","From discrete octahedral nanocages to 1D coordination polymer: Coordination-driven a single-crystal-to-single-crystal transformation via anion exchange","Chem.Commun.","2011","47","","2327","","10.1039/c0cc04601a","","","0.71073","MoKα","","0.0531","0.0508","","","0.1453","0.1511","","","","","","1.092","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106015","6.5538","0.0019","12.554","0.003","31.974","0.009","90","","90","","90","","2630.7","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quininium-(S)-mandelate","quininium-(S)-mandelate","","- C28 H32 N2 O5 -","- C28 H32 N2 O5 -","- C112 H128 N8 O20 -","4","1","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Clive L. Oliver","Quininium mandelates - Systematic study of chiral discrimination in crystals of diastereomeric salts","Chem.Commun.","2011","47","","2670","","10.1039/c0cc04279j","","","0.71073","MoKα","","0.0696","0.0493","","","0.1178","0.1261","","","","","","1.124","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106024","10.221","0.002","10.667","0.002","45.586","0.009","90","","90","","90","","4970.1","1.7","206","2","206","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H64 Lu N5 Si2 -","- C52 H64 Lu N5 Si2 -","- C208 H256 Lu4 N20 Si8 -","4","1","","Paul Benndorf; Jelena Jenter; Larissa Zielke; Peter W. Roesky","Chiral Lutetium Benzamidinate Complexes","Chem.Commun.","2011","47","","2574","","10.1039/c0cc04962j","","","0.71073","MoKα","","0.1199","0.0494","","","0.0632","0.0746","","","","","","0.71","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106027","15.251","0.0001","18.1566","0.0001","23.6233","0.0002","90","","90","","90","","6541.44","0.08","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C67 H58 B F24 Ir N2 -","- C67 H58 B F24 Ir N2 -","- C268 H232 B4 F96 Ir4 N8 -","4","1","","Christina Y. Tang; Jan Lednik; Dragoslav Vidovic; Amber L. Thompson; Simon Aldridge","Responses to unsaturation in iridium mono(N-heterocyclic carbene) complexes: synthesis and oligomerization of [LIr(H)2Cl] and [LIr(H)2]+","Chem.Commun.","2011","47","","2523","","10.1039/c0cc05431c","","","0.71073","MoKα","","0.054","0.0385","","0.0843","0.0723","0.0843","","","","","","0.9399","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106044","15.3235","0.0005","21.9549","0.0008","50.9472","0.0018","90","","90","","90","","17140","1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C143 H121 Cl6 Cu4 N17 O44 -","- C143 H121 Cl6 Cu4 N17 O44 -","- C572 H484 Cl24 Cu16 N68 O176 -","4","1","","Daniel L. Reger; Jacob Horger; Mark D. Smith","Copper(II) carboxylate tetramers formed from an enantiopure ligand containing a p-stacking supramolecular synthon: single-crystal to single-crystal enantioselective ligand exchange","Chem.Commun.","2011","47","","2805","","10.1039/c0cc04797j","","","0.71073","MoKα","","0.051","0.0433","","","0.1007","0.1038","","","","","","1.041","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106045","15.1091","0.0008","21.4458","0.0012","52.381","0.003","90","","90","","90","","16972.8","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C153 H133 Cu4 N17 O52 -","- C153 H129 Cu4 N17 O52 -","- C612 H516 Cu16 N68 O208 -","4","1","","Daniel L. Reger; Jacob Horger; Mark D. Smith","Copper(II) carboxylate tetramers formed from an enantiopure ligand containing a p-stacking supramolecular synthon: single-crystal to single-crystal enantioselective ligand exchange","Chem.Commun.","2011","47","","2805","","10.1039/c0cc04797j","","","0.71073","MoKα","","0.1534","0.0866","","","0.194","0.222","","","","","","0.846","","","","has coordinates,has disorder","180164","2020-10-21","18:00:00",""
"7106046","15.1728","0.0015","21.67","0.002","52.697","0.005","90","","90","","90","","17326","3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C138 H103 Cu4 N17 O43 -","- C138 H102 Cu4 N17 O43 -","- C552 H408 Cu16 N68 O172 -","4","1","","Daniel L. Reger; Jacob Horger; Mark D. Smith","Copper(II) carboxylate tetramers formed from an enantiopure ligand containing a p-stacking supramolecular synthon: single-crystal to single-crystal enantioselective ligand exchange","Chem.Commun.","2011","47","","2805","","10.1039/c0cc04797j","","","0.71073","MoKα","","0.1232","0.0782","","","0.166","0.1814","","","","","","0.879","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7106059","20.2501","0.0007","20.7455","0.0008","23.6214","0.0009","90","","90","","90","","9923.3","0.6","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46.5 H49.5 Ag2 B2 F8 N2 O5 P2 -","- C46.5 H49.5 Ag2 B2 F8 N2 O5 P2 -","- C372 H396 Ag16 B16 F64 N16 O40 P16 -","8","2","","Nasser Nasser; Richard J. Puddephatt","Self-assembled polymers of silver(I) with a chiral diphosphine ligand","Chem.Commun.","2011","47","","2808","","10.1039/c0cc05411a","","","0.71073","MoKα","","0.0694","0.0516","","","0.1236","0.1343","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106092","16.9781","0.0002","17.7089","0.0003","32.9662","0.0004","90","","90","","90","","9911.7","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C70 H158 N6 O28 V10 -","- C70 H158 N6 O28 V10 -","- C280 H632 N24 O112 V40 -","4","1","","Johannes Forster; Benedikt Rosner; Marat M. Khusniyarov; Carsten Streb","Tuning the light absorption of a molecular vanadium oxide system for enhanced photooxidation performance","Chem.Commun.","2011","47","","3114","","10.1039/c0cc05536k","","","0.71073","MoKα","","0.0598","0.0432","","","0.1002","0.1087","","","","","","1.043","","","","has coordinates","180164","2020-10-21","18:00:00",""
"7106117","11.9962","0.0005","15.9208","0.0007","25.0428","0.001","90","","90","","90","","4782.9","0.3","120","","120","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C47 H48 Ag Cl F3 N2 O5 P3 S -","- C47 H48 Ag Cl F3 N2 O5 P3 S -","- C188 H192 Ag4 Cl4 F12 N8 O20 P12 S4 -","4","1","","Gregory S. Day; Baofei Pan; Daniel L. Kellenberger; Bruce M. Foxman; Christine M. Thomas","Guilty as charged: non-innocent behavior by a pincer ligand featuring a central cationic phosphenium donor","Chem.Commun.","2011","47","","3634","","10.1039/c0cc05739h","","","0.71073","MoKα","","0.0582","0.042","","0.1126","0.0968","0.1126","","","","","","0.9531","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7106143","5.7219","0.0001","14.5983","0.0004","15.3184","0.0004","90","","90","","90","","1279.55","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C56 H52 N4 O12 S4 -","4","1","","Juae Han; Soyeong Kang; Hyeon-Kyu Lee","Dynamic Kinetic Resolution in the Stereoselective Synthesis of 4,5-Diaryl Cyclic Sulfamidates by Using Chiral Rhodium-Catalyzed Asymmetric Transfer Hydrogenation","Chem.Commun.","2011","47","","4004","","10.1039/c0cc05289b","","","0.71073","MoKα","","0.0587","0.042","","","0.0979","0.1077","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106224","5.4654","0.0015","10.929","0.003","25.79","0.007","90","","90","","90","","1540.5","0.7","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br I O2 -","- C17 H12 Br I O2 -","- C68 H48 Br4 I4 O8 -","4","1","","Yang, Fan; Jin, Tienan; Bao, Ming; Yamamoto, Yoshinori","Facile synthesis of 3,4-dihalofurans via electrophilic iodocyclization","Chemical Communications (Cambridge, United Kingdom)","2011","47","15","4541","4543","10.1039/c1cc10584a","","","0.7107","MoKα","","","0.0292","","","","0.0773","","","","","","1.075","","","","has coordinates","210846","2020-10-21","18:00:00",""
"7106248","9.9818","0.0016","18.392","0.003","31.754","0.005","90","","90","","90","","5829.6","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H82 O4 S2 Zr -","- C63 H82 O4 S2 Zr -","- C252 H328 O16 S8 Zr4 -","4","1","","Jean-Charles Buffet; Jun Okuda","Group 4 metal initiators for the controlled stereoselective polymerization of lactide monomers","Chem.Commun.","2011","47","","4796","","10.1039/c1cc10149h","","","0.71073","MoKα","","0.0565","0.0477","","","0.1111","0.1166","","","","","","0.952","","","","has coordinates","180166","2020-10-21","18:00:00",""
"7106263","7.8655","0.0002","8.6674","0.0002","11.947","0.0003","90","","90","","90","","814.47","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 N O5 -","- C7 H13 N O5 -","- C28 H52 N4 O20 -","4","1","","Sarah Pilgrim; Gabriele Kociok-Kohn; Matthew D. Lloyd; Simon E. Lewis","'Inosaminoacids': novel inositol-amino acid hybrid structures accessed by microbial arene oxidation","Chem.Commun.","2011","47","","4799","","10.1039/c1cc10643k","","","0.71073","MoKα","","0.0304","0.0278","","","0.0712","0.0727","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106265","6.8011","0.0007","11.3785","0.0012","15.6252","0.0016","90","","90","","90","","1209.2","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H5 N2 O S4 -","- C12 H5 N2 O S4 -","- C48 H20 N8 O4 S16 -","4","1","","Xin Yu; Aaron Mailman; Paul A. Dube; Abdeljalil Assoud; Richard T. Oakley","The first semiquinone-bridged bisdithiazolyl radical conductor: a canted antiferromagnet displaying a spin-flop transition","Chem.Commun.","2011","47","","4655","","10.1039/c1cc10598a","","","0.71073","MoKα","","0.0818","0.0547","","","0.0739","0.0868","","","","","","1.126","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7106293","6.2731","0.0002","16.1518","0.0006","24.6855","0.0009","90","","90","","90","","2501.18","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 O4 S -","- C30 H28 O4 S -","- C120 H112 O16 S4 -","4","1","","Shi-Kai Xiang; Bo Zhang; Li-He Zhang; Yuxin Cui; Ning Jiao","The Versitale Roles Performance of Ammonium Salt Catalysts in Enantioselective Reduction and Alkylation of a,b-Unsaturated Aldehydes: Iminium Catalysis, Enamine Catalysis and Acid Catalysis","Chem.Commun.","2011","47","","5007","","10.1039/c1cc10124b","","","0.71073","MoKα","","0.0476","0.037","","","0.0803","0.0838","","","","","","1.192","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106294","4.972","0.004","13.87","0.01","19.934","0.014","90","","90","","90","","1374.7","1.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","1","","Chang-Bin Yu; Kao Gao; Duo-Sheng Wang; Lei Shi; Yong-Gui Zhou","Enantioselective Pd-catalyzed hydrogenation of enesulfonamides","Chem.Commun.","2011","47","","5052","","10.1039/c1cc10313j","","","0.71073","MoKα","","0.0907","0.0588","","","0.1139","0.1275","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106309","10.055","0.0002","15.5409","0.0003","17.4207","0.0004","90","","90","","90","","2722.22","0.1","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ti(N2NMe)(NOtBu)(py)","","- C20 H43 N5 O Si2 Ti -","- C20 H43 N5 O Si2 Ti -","- C80 H172 N20 O4 Si8 Ti4 -","4","1","","Andrew D. Schwarz; Ainara Nova; Eric Clot; Philip Mountford","Titanium alkoxyimido (Ti=N-OR) complexes: reductive N-O bond cleavage at the boundary between hydrazide and peroxide ligands","Chem.Commun.","2011","47","","4926","","10.1039/c1cc10862j","","","0.71073","MoKα","","0.0696","0.0457","","0.079","0.0513","0.0457","","","","","","0.9268","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106352","11.3587","0.0009","18.503","0.0013","20.2698","0.0012","90","","90","","90","","4260.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H48 Cl2 O14 P2 -","- C41 H48 Cl2 O14 P2 -","- C164 H192 Cl8 O56 P8 -","4","1","","Venu Srinivas; K. V. Sajna; K. C. Kumara Swamy","To stay as allene or go further? Synthesis of novel phosphono-heterocycles and polycyclics via propargyl alcohols","Chem.Commun.","2011","47","","5629","","10.1039/c1cc10230c","","","0.71073","MoKα","","0.0617","0.0467","","","0.119","0.1239","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106355","5.89","0.0012","12.89","0.003","26.17","0.005","90","","90","","90","","1986.9","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 F3 N2 O3 S -","- C20 H15 F3 N2 O3 S -","- C80 H60 F12 N8 O12 S4 -","4","1","","Gaochao Huang; Jie Yang; Xingang Zhang","Highly enantioselective zinc/BINOL-catalyzed alkynylation of a-ketoimine ester: a new entry to optically active quaternary a-CF3 a-amino acids","Chem.Commun.","2011","47","","5587","","10.1039/c1cc10403a","","","0.71073","MoKα","","0.0463","0.0414","","","0.1091","0.1136","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106381","9.3609","0.0017","11.697","0.002","22.151","0.004","90","","90","","90","","2425.4","0.7","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl2 N O4 -","- C28 H23 Cl2 N O4 -","- C112 H92 Cl8 N4 O16 -","4","1","","Liang-Liang Wang; Lin Peng; Jian-Fei Bai; Li-Na Jia; Xi-Ya Luo; Qing-Chuan Yang; Qing-Chun Huang; Xiaoying Xu; Li-xin Wang","A highly organocatalytic stereoselective double Michael reaction: efficient construction of optically enriched spirocyclic oxindoles","Chem.Commun.","2011","47","","5593","","10.1039/c1cc11223f","","","0.71073","MoKα","","0.0425","0.0349","","","0.0706","0.0738","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106396","12.2171","0.0007","13.3261","0.0008","18.5076","0.0011","90","","90","","90","","3013.2","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 B F15 N -","- C32 H21 B F15 N -","- C128 H84 B4 F60 N4 -","4","1","","Zachariah Heiden; Douglas Stephan","Metal-Free Diastereoselective Catalytic Hydrogenations of Imines Using B(C6F5)3+","Chem.Commun.","2011","47","","5729","","10.1039/c1cc10438a","","","0.71073","MoKα","","0.0724","0.038","","","0.068","0.0784","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106397","12.2721","0.0014","12.4428","0.0015","20.36","0.002","90","","90","","90","","3109","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H19 B F15 N -","- C35 H19 B F15 N -","- C140 H76 B4 F60 N4 -","4","1","","Zachariah Heiden; Douglas Stephan","Metal-Free Diastereoselective Catalytic Hydrogenations of Imines Using B(C6F5)3+","Chem.Commun.","2011","47","","5729","","10.1039/c1cc10438a","","","0.71073","MoKα","","0.1239","0.0693","","","0.1733","0.1987","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7106402","6.0482","0.0002","15.3621","0.0006","24.9148","0.001","90","","90","","90","","2314.91","0.15","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Br Cl N O6 -","- C25 H19 Br Cl N O6 -","- C100 H76 Br4 Cl4 N4 O24 -","4","1","","Yaojun Gao; Qiao Ren; Woon-Yew Siau; Jian Wang","Asymmetric organocatalytic cascade Michael/hemiketalization/retro-Henry reaction of B,Y-unsaturated ketoesters with a-nitroketones","Chem.Commun.","2011","47","","5819","","10.1039/c1cc11124h","","","0.71073","MoKα","","0.0462","0.0356","","","0.071","0.0743","","","","","","0.981","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106407","6.707","0.005","15.957","0.005","25.116","0.005","90","","90","","90","","2688","2","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H20 B F10 Hf N -","- C29 H20 B F10 Hf N -","- C116 H80 B4 F40 Hf4 N4 -","4","1","","Elizabeth A. Jacobs; Anna-Marie Fuller; Simon J. Lancaster; Joseph A. Wright","The hafnium-mediated NH activation of an amido-borane","Chem.Commun.","2011","47","","5870","","10.1039/c1cc11320h","","x-ray","0.71073","MoKα","","0.0669","0.0345","","","0.0573","0.0615","","","","","","0.836","","","","has coordinates","180168","2020-10-21","18:00:00",""
"7106419","8.27","0.003","11.652","0.005","26.49","0.008","90","","90","","90","","2552.6","1.6","123.1","","123","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 N O2 P Rh -","- C29 H31 N O2 P Rh -","- C116 H124 N4 O8 P4 Rh4 -","4","1","","Ryo Shintani; Rintaro Narui; Yosuke Tsutsumi; Sayuri Hayashi; Tamio Hayashi","Design and synthesis of new chiral phosphorus-olefin bidentate ligands and their use in the rhodium-catalyzed asymmetric addition of organoboroxines to N-sulfonyl imines","Chem.Commun.","2011","47","","6123","","10.1039/c1cc11823d","","","0.71075","MoKα","","","0.0594","","","","0.0818","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106428","4.1224","0.001","11.955","0.003","16.433","0.004","90","","90","","90","","809.9","0.3","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0674","0.0441","","","0.0983","0.1118","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106429","4.1314","0.0011","11.955","0.003","16.429","0.004","90","","90","","90","","811.4","0.4","225","2","225","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0716","0.0457","","","0.102","0.1171","","","","","","1.023","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106430","4.1427","0.0011","11.962","0.003","16.432","0.004","90","","90","","90","","814.3","0.4","240","2","240","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0742","0.0464","","","0.1041","0.1189","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106431","4.1524","0.0011","11.963","0.003","16.429","0.004","90","","90","","90","","816.1","0.4","255","2","255","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0789","0.0463","","","0.1014","0.1197","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106432","4.1632","0.0012","11.966","0.003","16.426","0.004","90","","90","","90","","818.3","0.4","270","2","270","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0838","0.0448","","","0.0994","0.1188","","","","","","0.979","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106433","4.177","0.0012","11.975","0.003","16.43","0.005","90","","90","","90","","821.8","0.4","285","2","285","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0877","0.0469","","","0.1053","0.1246","","","","","","0.998","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106434","4.179","0.004","11.999","0.011","16.431","0.015","90","","90","","90","","823.9","1.3","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.0975","0.0474","","","0.1091","0.1339","","","","","","0.98","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106435","4.209","0.006","11.98","0.016","16.4","0.02","90","","90","","90","","827","1.9","315","2","315","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(s,s)-3,5-Ocatadiyn-2,7-diol","","- C8 H10 O2 -","- C8 H10 O2 -","- C32 H40 O8 -","4","1","","Dinabandhu Das; Tia Jacobs; Adam Pietraszako; L. J. Barbour","Anomalous thermal expansion of an organic crystal-implications for elucidating the mechanism of an enantiotropic phase transformation","Chem.Commun.","2011","47","","6009","","10.1039/c1cc10716j","","","0.71073","MoKα","","0.138","0.0557","","","0.1161","0.1532","","","","","","0.968","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106493","8.0592","0.0002","10.6389","0.0004","16.718","0.0007","90","","90","","90","","1433.42","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Au catalyzed dienyne 1c","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","","Soo Min Kim; Ji Hoon Park; Young Keun Chung","Au(PPh3)OPOF2-Catalyzed Intramolecular [4+2] Cycloaddition Reaction of Dienynes","Chem.Commun.","2011","47","","6719","","10.1039/c1cc11127b","","","0.71073","MoKα","","0.0443","0.0376","","","0.0989","0.1034","","","","","","1.101","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106503","8.2209","0.0002","8.9923","0.0003","13.813","0.0004","90","","90","","90","","1021.12","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Cl N O4 -","- C7 H16 Cl N O4 -","- C28 H64 Cl4 N4 O16 -","4","1","","Fowler, Lindsay S.; Thomas, Lynne H.; Ellis, David; Sutherland, Andrew","A one-pot, reductive amination/6-endo-trig cyclisation for the stereoselective synthesis of 6-substituted-4-oxopipecolic acids","Chemical Communications (Cambridge, United Kingdom)","2011","47","23","6569","6571","10.1039/c1cc11916h","","","0.71073","MoKα","","0.0352","0.0283","","","","0.0639","","","","","","1.057","","","","has coordinates","212582","2020-10-21","18:00:00",""
"7106545","9.3915","0.0006","12.773","0.0008","23.7777","0.0015","90","","90","","90","","2852.3","0.3","571","2","571","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N5 O6 -","- C31 H29 N5 O6 -","- C124 H116 N20 O24 -","4","1","","Christophe Lincheneau; Joseph P. Leonard; Thomas McCabe; Thorfinnur Gunnlaugsson","Lanthanide directed self-assembly formations of Tb(III) and Eu(III) luminescent complexes from tryptophan based pyridyl amide ligands","Chem.Commun.","2011","47","","7119","","10.1039/c1cc11326g","","","0.71073","MoKα","","0.0727","0.0361","","","0.0596","0.0651","","","","","","0.774","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106546","9.3996","0.0006","12.772","0.0009","23.7627","0.0016","90","","90","","90","","2852.8","0.3","571","2","571","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H27 N5 O6 -","- C31 H29 N5 O6 -","- C124 H116 N20 O24 -","4","1","","Christophe Lincheneau; Joseph P. Leonard; Thomas McCabe; Thorfinnur Gunnlaugsson","Lanthanide directed self-assembly formations of Tb(III) and Eu(III) luminescent complexes from tryptophan based pyridyl amide ligands","Chem.Commun.","2011","47","","7119","","10.1039/c1cc11326g","","","0.71073","MoKα","","0.0621","0.0417","","","0.0865","0.1071","","","","","","0.945","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106575","7.567","0.003","10.377","0.003","35.89","0.013","90","","90","","90","","2818.2","1.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 N3 O6 -","- C29 H43 N3 O6 -","- C116 H172 N12 O24 -","4","1","","Weina Li; Xuesong Li; Wei Zhu; Changxu Li; Dan Xu; Yong Ju; Guangtao Li","Topochemical approach to efficiently produce main-chain poly(bile acid)s with high molecular weights and adaptive responsive behavior","Chem.Commun.","2011","47","","7728","","10.1039/c1cc11445j","","","0.71073","MoKα","","0.0826","0.0527","","","0.1095","0.1224","","","","","","1.053","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106576","7.597","0.0013","10.1544","0.0013","36.149","0.006","90","","90","","90","","2788.6","0.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 N3 O5 -","- C29 H43 N3 O5 -","- C116 H172 N12 O20 -","4","1","","Weina Li; Xuesong Li; Wei Zhu; Changxu Li; Dan Xu; Yong Ju; Guangtao Li","Topochemical approach to efficiently produce main-chain poly(bile acid)s with high molecular weights and adaptive responsive behavior","Chem.Commun.","2011","47","","7728","","10.1039/c1cc11445j","","","0.71073","MoKα","","0.0465","0.0388","","","0.0829","0.0866","","","","","","1.048","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106577","7.6587","0.0013","9.9078","0.0013","36.42","0.008","90","","90","","90","","2763.6","0.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 N3 O4 -","- C29 H43 N3 O4 -","- C116 H172 N12 O16 -","4","1","","Weina Li; Xuesong Li; Wei Zhu; Changxu Li; Dan Xu; Yong Ju; Guangtao Li","Topochemical approach to efficiently produce main-chain poly(bile acid)s with high molecular weights and adaptive responsive behavior","Chem.Commun.","2011","47","","7728","","10.1039/c1cc11445j","","","0.71073","MoKα","","0.1103","0.0628","","","0.1159","0.1338","","","","","","1.044","","","","has coordinates","180169","2020-10-21","18:00:00",""
"7106598","8.0477","0.0018","9.343","0.002","27.225","0.006","90","","90","","90","","2047","0.8","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N2 -","- C24 H34 N2 -","- C96 H136 N8 -","4","1","","Hikaru Suzuki; Sakae Aoyagi","Total synthesis of (±)-chamobtusin A","Chem.Commun.","2011","47","","7878","","10.1039/c1cc12267c","","","0.71073","MoKα","","0.0425","0.0393","","","0.1037","0.1062","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106613","10.2071","0.0002","11.2105","0.0003","24.2602","0.0006","90","","90","","90","","2776.01","0.11","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 N4 -","- C14 H20 N4 -","- C112 H160 N32 -","8","2","","Marco Wenzel; Mark E. Light; Anthony P. Davis; Philip A. Gale","Thiourea isosteres as anion receptors and transmembrane transporters","Chem.Commun.","2011","47","","7641","","10.1039/c1cc12439k","","","0.71073","MoK\α","","0.0775","0.0546","","","0.1256","0.1379","","","","","","1.035","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106615","8.5794","0.0002","10.2955","0.0002","15.2141","0.0003","90","","90","","90","","1343.85","0.05","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 S -","- C13 H20 N2 S -","- C52 H80 N8 S4 -","4","1","","Marco Wenzel; Mark E. Light; Anthony P. Davis; Philip A. Gale","Thiourea isosteres as anion receptors and transmembrane transporters","Chem.Commun.","2011","47","","7641","","10.1039/c1cc12439k","","","0.71073","MoK\α","","0.0379","0.0345","","","0.0749","0.0769","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106616","8.452","0.0009","9.9029","0.0011","16.5155","0.0018","90","","90","","90","","1382.3","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Phenyl-Mirror","Phenyl-Mirror","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Deana M. Jaber; Ryan N. Burgin; Matthew Hepler; Peter Zavalij; Zavalij, Peter; Michael P. Doyle","Control of Selectivity in the Generation and Reactions of Oxonium Ylides","Chem. Commun.","2011","47","","7623","","10.1039/c1cc12443a","","","0.71073","MoKα","","0.0287","0.0283","","","0.0669","0.0671","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106626","10.5615","0.0011","13.76","0.0014","17.3141","0.0018","90","","90","","90","","2516.2","0.5","111","2","111","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Me6TrenCuONPh TfO Triplet","","","- C19 H35 Cu F3 N5 O4 S -","- C19 H35 Cu F3 N5 O4 S -","- C76 H140 Cu4 F12 N20 O16 S4 -","4","1","","Mohammad S. Askari; Brigitte Girard; Muralee Murugesu; Xavier Ottenwaelder","The two spin states of an end-on copper(II)-superoxide mimic","Chem.Commun.","2011","47","","8055","","10.1039/c1cc11381j","","","0.71073","MoKα","","0.0403","0.032","","","0.0713","0.0751","","","","","","1.021","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106632","9.242","0.0015","12.376","0.002","18.093","0.003","90","","90","","90","","2069.5","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 B11 N2 -","- C15 H27 B11 N2 -","- C60 H108 B44 N8 -","4","1","","Jian Zhang; Hoi-Shan Chan; Zuowei Xie","Selective cage boron/carbon extrusion reaction of 13-vertex carborane m-1,2-(CH2)3-1,2-C2B11H11: formation of nido-CB10, closo-CB10, and closo-C2B10 species","Chem.Commun.","2011","47","","8082","","10.1039/c1cc12023a","","","0.71073","MoKα","","0.1639","0.0581","","","0.1161","0.1558","","","","","","0.971","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106651","8.5885","0.0019","13.388","0.003","15.162","0.004","90","","90","","90","","1743.4","0.7","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N O4 -","- C21 H17 N O4 -","- C84 H68 N4 O16 -","4","1","","Roy T. McBurney; Alexandra M. Z. Slawin; Laura A. Smart; Yanping Yu; John C. Walton","UV Promoted Phenanthridine Syntheses from Oxime Carbonate Derived Iminyl Radicals","Chem. Commun.","2011","47","","7974","","10.1039/c1cc12720a","","","0.71073","MoKα","","0.0441","0.0373","","","0.0751","0.0795","","","","","","0.987","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106674","7.9943","0.001","16.668","0.002","18.837","0.002","90","","90","","90","","2510","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 N2 O2 S -","- C29 H28 N2 O2 S -","- C116 H112 N8 O8 S4 -","4","1","","Jun Xuan; Ying Cheng; Jing An; Liang-Qiu Lu; Xiao-Xiao Zhang; 'Wen-Jing Xiao","Visible light-induced intramolecular cyclization reactions of diamines: a new strategy to construct tetrahydroimidazoles","Chem.Commun.","2011","47","","8337","","10.1039/c1cc12203g","","","0.71073","MoKα","","0.0964","0.0606","","","0.0863","0.0954","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106677","7.3273","0.0014","13.832","0.003","19.424","0.004","90","","90","","90","","1968.6","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O2 S2 -","- C22 H24 O2 S2 -","- C88 H96 O8 S8 -","4","1","","Xiao-Na Wang; Li-Tao Shen; Song Ye","Enantioselective [2+2+2] cycloaddition of ketenes and carbon disulfide catalyzed by N-heterocyclic carbenes","Chem.Commun.","2011","47","","8388","","10.1039/c1cc12316e","","","0.71073","MoKα","","0.0325","0.0321","","","0.0776","0.0779","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106688","8.9026","0.0002","9.2288","0.0002","14.7549","0.0004","90","","90","","90","","1212.27","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N3 O3 -","- C12 H15 N3 O3 -","- C48 H60 N12 O12 -","4","1","","Feijie Song; Cheng Wang; Wenbin Lin","A chiral metal-organic framework for tandem asymmetric catalysis","Chem.Commun.","2011","47","","8256","","10.1039/c1cc12701b","","","1.54178","CuKα","","0.0321","0.032","","","0.0961","0.0962","","","","","","1.175","","","","has coordinates","180170","2020-10-21","18:00:00",""
"7106705","9.289","0.004","17.389","0.007","23.143","0.009","90","","90","","90","","3738","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tantalum oxo hydride","Tantalum oxo hydride","","- C24 H64 N9 O Ta3 -","- C24 H64 N9 O Ta3 -","- C96 H256 N36 O4 Ta12 -","4","1","","Shu-Jian Chen; Juan Li; B.Dougan; C.Steren; Xiaoping Wang; Xue-Tai Chen; Zhenyang Lin; Ziling Xue","Unexpected formation of a trinuclear complex containing a Ta(IV)-Ta(IV) bond in the reactions of ButN[double bond, length as m-dash]Ta(NMe2)3 with silanes","Chem.Commun.","2011","47","","8685","","10.1039/c1cc12837j","","","0.71073","MoKα","","0.0404","0.0394","","","0.1076","0.1082","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7106716","8.8687","0.0019","10.501","0.002","12.835","0.003","90","","90","","90","","1195.3","0.4","215","2","215","1","100","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,1,2,2-Tetrachloroethane","1,1,2,2-Tetrachloroethane","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C16 H16 Cl32 -","8","2","","Maciej Bujak; Dieter Blaser; Andrzej Katrusiak; Roland Boese","Conformational Polymorphs of 1,1,2,2-Tetrachloroethane: Pressure vs.Temperature","Chem.Commun.","2011","47","","8769","","10.1039/c1cc10689a","","","0.71073","MoKα","","0.0298","0.0273","","","0.064","0.0656","","","","","","1.039","","","","has coordinates","180171","2020-10-21","18:00:00",""
"7106728","15.2539","0.0003","18.705","0.0009","39.6518","0.0017","90","","90","","90","","11313.6","0.8","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32.5 H78 N6 Na O7 Si6 U -","- C32.5 H78 N6 Na O7 Si6 U -","- C260 H624 N48 Na8 O56 Si48 U8 -","8","2","","Olivier Benaud; Jean-Claude Berthet; Pierre Thuery; Michel Ephritikhine","Towards high-valent uranium compounds from metallacyclic uranium(IV) precursors","Chem.Commun.","2011","47","","9057","","10.1039/c1cc13112e","","","0.71073","MoKα","","0.0903","0.0489","","","0.1088","0.1209","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106750","6.1135","0.0002","7.523","0.0003","30.9381","0.0013","90","","90","","90","","1422.9","0.09","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Qian Wu; Dongbing Zhao; Xurong Qin; Jingbo Lan; Jingsong You","Synthesis of di(hetero)aryl sulfides by directly using arylsulfonyl chlorides as a sulfur source","Chem.Commun.","2011","47","","9188","","10.1039/c1cc13633j","","x-ray","0.71073","MoKα","","0.0404","0.0371","","","0.0965","0.0976","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106751","8.902","0.0018","12.345","0.003","24.222","0.005","90","","90","","90","","2661.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N O4 -","- C31 H39 N O4 -","- C124 H156 N4 O16 -","4","1","","Ye Ding; Zhangjian Huang; Jian Yin; Yisheng Lai; Shibo Zhang; Zhiguo Zhang; Lei Fang; Sixun Peng; Yihua Zhang","DDQ-promoted dehydrogenation from natural rigid polycyclic acids or flexible alkyl acids to generate lactones by a radical ion mechanism","Chem.Commun.","2011","47","","9495","","10.1039/c1cc11633a","","","0.71073","MoKα","","0.1212","0.0702","","","0.1562","0.1942","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106789","9.96","0.009","12.124","0.011","18.738","0.016","90","","90","","90","","2263","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl N O4 -","- C26 H22 Cl N O4 -","- C104 H88 Cl4 N4 O16 -","4","1","","Tang-Lin Liu; Zhao-Lin He; Chun-Jiang Wang","Highly efficient construction of spirocyclic chromanone-pyrrolidines via Cu(I)/TF-BiphamPhos-catalyzed asymmetric 1,3-dipolar cycloaddition","Chem.Commun.","2011","47","","9600","","10.1039/c1cc13554f","","","0.71073","MoKα","","0.0829","0.0467","","","0.0883","0.1037","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106792","5.5355","0.0001","11.525","0.0002","11.699","0.0002","90","","90","","90","","746.36","0.02","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O4 S -","- C6 H12 O4 S -","- C24 H48 O16 S4 -","4","1","","Corin Storkey; Michael Davies; Jonathan M. White; Carl Schiesser","Synthesis and Antioxidant Capacity of 5-Selenopyranose Derivatives","Chem.Commun.","2011","47","","9693","","10.1039/c1cc13652f","","","0.7107","MoKα","","0.0198","0.0192","","","0.0488","0.0491","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106824","9.1336","0.0012","13.254","0.0018","16.646","0.002","90","","90","","90","","2015.1","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Cl N O3 -","- C24 H18 Cl N O3 -","- C96 H72 Cl4 N4 O12 -","4","1","","Li-Hui Sun; Li-Tao Shen; Song Ye","Highly diastereo- and enantioselective NHC-catalyzed [3+2] annulation of enals and isatins","Chem.Commun.","2011","47","","10136","","10.1039/c1cc13860j","","","0.71073","MoKα","","0.0553","0.052","","","0.1145","0.1162","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106850","11.4805","0.001","11.8426","0.001","14.1986","0.0012","90","","90","","90","","1930.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Yun-Shan Sun; Kai Ding; Wei-Sheng Tian","Total syntheses of (Sp)-(+)- and (Rp)-(-)-spiniferin-1, a pair of unusual natural products with planar chirality","Chem.Commun.","2011","47","","10437","","10.1039/c1cc13650j","","","0.71073","MoKα","","0.113","0.0454","","","0.0734","0.0856","","","","","","0.701","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7106855","16.2959","0.0003","18.9302","0.0003","26.2922","0.0005","90","","90","","90","","8110.7","0.3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.71073","MoKα","","0.0371","0.0353","","","0.0841","0.0847","","","","","","1.139","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106856","16.3776","0.0003","19.003","0.0004","26.55","0.0007","90","","90","","90","","8263","0.3","248","2","248","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.71073","MoKα","","0.0533","0.0411","","","0.0916","0.0953","","","","","","1.044","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106857","16.2919","0.0004","18.9469","0.0004","26.2523","0.0005","90","","90","","90","","8103.6","0.3","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.71073","MoKα","","0.044","0.0352","","","0.069","0.071","","","","","","1.004","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106858","16.3489","0.0003","18.9892","0.0004","26.4822","0.0005","90","","90","","90","","8221.5","0.3","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.71073","MoKα","","0.042","0.0352","","","0.0786","0.0806","","","","","","1.001","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106859","16.3877","0.0004","19.0209","0.0004","26.5783","0.0006","90","","90","","90","","8284.7","0.3","248","2","248","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.71073","MoKα","","0.048","0.0379","","","0.0793","0.082","","","","","","1.005","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106860","16.4147","0.0004","19.0401","0.0005","26.6275","0.0006","90","","90","","90","","8322.1","0.4","271","2","271","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.71073","MoKα","","0.0531","0.0408","","","0.091","0.0946","","","","","","1.005","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106861","16.264","0.003","18.94","0.004","26.215","0.005","90","","90","","90","","8075","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Fe2 N14 O6 -","- C35 H48 Fe2 N14 O6 -","- C280 H384 Fe16 N112 O48 -","8","2","","Boris Burger; Sebastian Dechert; Christian Große; Serhiy Demeshko; Franc Meyer","Visualising the Carboxylate Shift at a Bioinspired Diiron(II) Site in the Solid State","Chem.Commun.","2011","47","","10428","","10.1039/c1cc13756e","","","0.8","","","0.0359","0.034","","","0.0849","0.086","","","","","","1.034","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106862","12.5407","0.0019","13.946","0.002","15.358","0.002","90","","90","","90","","2686","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N4 O6 -","- C26 H32 N4 O6 -","- C104 H128 N16 O24 -","4","1","","Ma.-Angeles Cano-Herrera; Luis D. Miranda","Expedient entry to the piperazinohydroisoquinoline ring system using a sequential Ugi/Pictet-Spengler/reductive methylation reaction protocol","Chem.Commun.","2011","47","","10770","","10.1039/c1cc10759c","","","0.71073","MoKα","","0.1723","0.0812","","","0.1295","0.1599","","","","","","1.046","","","","has coordinates,has disorder","180172","2020-10-21","18:00:00",""
"7106877","12.455","0.005","15.315","0.006","32.002","0.013","90","","90","","90","","6104","4","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 N2 O6 -","- C58 H54 N2 O6 -","- C232 H216 N8 O24 -","4","1","","Seiji Shirakawa; Shogo J. Terao; Rongjun He; Keiji Maruoka","Diastereo- and enantioselective conjugate addition of a-substituted nitroacetates to maleimides under base-free neutral phase-transfer conditions","Chem.Commun.","2011","47","","10557","","10.1039/c1cc14043d","","","0.71075","MoKα","","","0.1175","","","","0.3484","","","","","","1.36","","","","has coordinates","180172","2020-10-21","18:00:00",""
"7106878","6.21622","0.00015","14.1578","0.0003","24.7401","0.0007","90","","90","","90","","2177.33","0.09","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Br N2 O6 -","- C22 H21 Br N2 O6 -","- C88 H84 Br4 N8 O24 -","4","1","","Seiji Shirakawa; Shogo J. Terao; Rongjun He; Keiji Maruoka","Diastereo- and enantioselective conjugate addition of a-substituted nitroacetates to maleimides under base-free neutral phase-transfer conditions","Chem.Commun.","2011","47","","10557","","10.1039/c1cc14043d","","","1.54187","CuKα","","","0.0508","","","","0.1326","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7106904","8.741","0.005","14.796","0.005","19.34","0.005","90","0.005","90","0.005","90","0.005","2501.3","1.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O8 Zn -","- C17 H18 N4 O8 Zn -","- C68 H72 N16 O32 Zn4 -","4","1","","Prakash Kanoo; Ritesh Haldar; Soumya T. Cyriac; Tapas Kumar Maji","Coordination driven axial chirality in a microporous solid assembled from an achiral linker via in situ C-N coupling","Chem.Commun.","2011","47","","11038","","10.1039/c1cc13877d","","","0.71073","MoKα","","0.1677","0.086","","","0.22","0.2689","","","","","","0.924","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106917","8.6745","0.0012","13.3919","0.0018","19.262","0.003","90","","90","","90","","2237.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl F3 N O5 -","- C23 H21 Cl F3 N O5 -","- C92 H84 Cl4 F12 N4 O20 -","4","1","","Qin-Hua Li; Min-Chao Tong; Jun Li; Hai-Yan Tao; Chun-Jiang Wang","Asymmetric construction of trifluoromethylated pyrrolidines via Cu(I)-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with 4,4,4-trifluorocrotonates","Chem.Commun.","2011","47","","11110","","10.1039/c1cc14295j","","","0.71073","MoKα","","0.05","0.0353","","","0.0775","0.0845","","","","","","1.025","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106918","14.795","0.0017","15.6582","0.0017","20.39","0.002","90","","90","","90","","4723.6","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl F3 N O5 -","- C23 H21 Cl F3 N O5 -","- C184 H168 Cl8 F24 N8 O40 -","8","2","","Qin-Hua Li; Min-Chao Tong; Jun Li; Hai-Yan Tao; Chun-Jiang Wang","Asymmetric construction of trifluoromethylated pyrrolidines via Cu(I)-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with 4,4,4-trifluorocrotonates","Chem.Commun.","2011","47","","11110","","10.1039/c1cc14295j","","","0.71073","MoKα","","0.07","0.0422","","","0.0827","0.0945","","","","","","1.015","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106942","4.6021","0.0002","7.3673","0.0004","8.6802","0.0005","90","","90","","90","","294.3","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H4 N2 O2 -","- C H4 N2 O2 -","- C4 H16 N8 O8 -","4","1","","Byeongno Lee; Seung Hee Kang; Donghyeon Kang; Kyu Hyung Lee; Jaeheung Cho; Wonwoo Nam; Oc Hee Han; Nam Hwi Hur","Isolation and structural characterization of the elusive 1 : 1 adduct of hydrazine and carbon dioxide","Chem.Commun.","2011","47","","11219","","10.1039/c1cc14542h","","","0.71073","MoKα","","0.0399","0.0394","","","0.1413","0.1422","","","","","","0.999","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7106952","7.2976","0.0005","14.8834","0.0011","23.5529","0.0017","90","","90","","90","","2558.2","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 Cl O Ru -","- C28 H31 Cl O Ru -","- C112 H124 Cl4 O4 Ru4 -","4","1","","Ken Yamashita; Yuki Nagashima; Yoshihiko Yamamoto; Hisao Nishiyama","Ruthenium-catalyzed cyclization/transfer hydrogenation of 1,6-diynes: Unprecedented mode of alcohol activation via metallacyclopentatriene","Chem.Commun.","2011","47","","11552","","10.1039/c1cc13744a","","","0.71073","MoK_a","","0.066","0.0567","","","0.1305","0.1339","","","","","","1.128","","","","has coordinates","180173","2020-10-21","18:00:00",""
"7107022","12.2792","0.0008","15.4471","0.001","17.2852","0.0012","90","","90","","90","","3278.6","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 B2 N6 O Tm -","- C28 H52 B2 N6 O Tm -","- C112 H208 B8 N24 O4 Tm4 -","4","1","","Aurelien Momin; Fanny Bonnet; Marc Visseaux; Laurent Maron; Josef Takats; Michael J. Ferguson; Xavier-Frederic Le Goff; Francois Nief","Synthesis and structure of divalent thulium borohydrides, and their application in 'epsilon'-caprolactone polymerisation","Chem.Commun.","2011","47","44","12203","12205","10.1039/c1cc15294g","","","0.71073","MoKα","","0.0239","0.0224","","","0.056","0.0567","","","","","","1.038","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107061","5.6234","0.0001","11.2327","0.0001","25.114","0.0002","90","","90","","90","","1586.35","0.03","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C84 H60 N12 O4 -","4","1","","Naiara Fernandez; Luisa Carrillo; Jose L. Vicario; Dolores Badia; Efraim Reyes","Organocatalytic Enantioselective (3+2) Cycloaddition Using Stable Azomethine Ylides","Chem.Commun.","2011","47","","12313","","10.1039/c1cc15671c","","x-ray","1.54184","CuKα","","0.0253","0.0248","","","0.0627","0.063","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107064","11.1129","0.0003","11.3226","0.0003","13.0683","0.0004","90","","90","","90","","1644.34","0.08","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Cl2 F3 O3 P2 S Sb -","- C7 H16 Cl2 F3 O3 P2 S Sb -","- C28 H64 Cl8 F12 O12 P8 S4 Sb4 -","4","1","","Saurabh S. Chitnis; Brendan Peters; Eamonn Conrad; Neil Burford; Robert McDonald; Michael J. Ferguson","Structural diversity for phosphine complexes of stibenium and stibinidenium cations","Chem.Commun.","2011","47","","12331","","10.1039/c1cc15693d","","","0.71073","MoKα","","0.0132","0.0131","","","0.0329","0.0329","","","","","","1.117","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107080","8.521","0.003","14.946","0.006","22.415","0.009","90","","90","","90","","2854.7","1.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 F3 N2 O3 S -","- C29 H33 F3 N2 O3 S -","- C116 H132 F12 N8 O12 S4 -","4","1","","Jun Zhang; Xiaolong Su; Jun Fu; Min Shi","A facile preparation of backbone-substituted, functionalized and chiral imidazolinium salts","Chem.Commun.","2011","47","","12541","","10.1039/c1cc15609h","","","0.71073","MoKα","","0.1151","0.0774","","","0.1995","0.2232","","","","","","0.998","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107081","15.2391","0.0017","15.3799","0.0018","22.066","0.003","90","","90","","90","","5171.7","1.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 I N2 -","- C27 H31 I N2 -","- C216 H248 I8 N16 -","8","2","","Jun Zhang; Xiaolong Su; Jun Fu; Min Shi","A facile preparation of backbone-substituted, functionalized and chiral imidazolinium salts","Chem.Commun.","2011","47","","12541","","10.1039/c1cc15609h","","","0.71073","MoKα","","0.0737","0.0481","","","0.1444","0.1672","","","","","","1.022","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107082","13.2441","0.0017","15.93","0.002","27.319","0.003","90","","90","","90","","5763.7","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 I N2 -","- C30 H37 I N2 -","- C240 H296 I8 N16 -","8","2","","Jun Zhang; Xiaolong Su; Jun Fu; Min Shi","A facile preparation of backbone-substituted, functionalized and chiral imidazolinium salts","Chem.Commun.","2011","47","","12541","","10.1039/c1cc15609h","","","0.71073","MoKα","","0.1057","0.0643","","","0.1781","0.2095","","","","","","1.024","","","","has coordinates","180174","2020-10-21","18:00:00",""
"7107105","9.0426","0.0005","15.0498","0.0009","19.5924","0.0011","90","","90","","90","","2666.3","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 I2 N3 O Pd -","- C27 H21 I2 N3 O Pd -","- C108 H84 I8 N12 O4 Pd4 -","4","1","","Feijun Wang; Shengke Li; Mingliang Qu; Mei-Xin Zhao; Lian-Jun Liu; Min Shi","A Highly Efficient Kinetic Resolution of Morita-Baylis-Hillman Adducts Achieved by N-Ar Axially Chiral Pd-Complexes Catalyzed Asymmetric Allylation","Chem.Commun.","2011","47","","12813","","10.1039/c1cc15543a","","","0.71073","MoKα","","0.0645","0.0496","","","0.1067","0.1171","","","","","","1.242","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107110","7.0214","0.0006","16.2366","0.0016","19.0401","0.0018","90","","90","","90","","2170.6","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 Br N O4 -","- C25 H16 Br N O4 -","- C100 H64 Br4 N4 O16 -","4","1","","Tian-Lin Liu; Hai Ma; Fa-Guang Zhang; Yan Zheng; Jing Nie; Jun-An Ma","Catalytic enantioselective addition of terminal 1,3-diynes to aromatic ketones: facile access to chiral nonracemic tertiary alcohols","Chem.Commun.","2011","47","","12873","","10.1039/c1cc15968b","","","0.71073","MoKα","","0.0612","0.0435","","","0.1104","0.1187","","","","","","1.012","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107118","9.0413","0.0008","13.824","0.0012","13.9065","0.0012","90","","90","","90","","1738.1","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O5 S -","- C17 H16 Cl N O5 S -","- C68 H64 Cl4 N4 O20 S4 -","4","1","","Jing Deng; Fei Wang; Wenzhong Yan; Jin Zhu; Hualiang Jiang; Wei Wang; Jian Li","Synthesis of 3-substituted 1,5-aldehyde esters via an organocatalytic highly enantioselective conjugate addition of new carbonylmethyl 2-pyridinylsulfone to enals","Chem.Commun.","2012","47","","148","","10.1039/c1cc15714k","","","0.71073","MoKα","","0.0216","0.021","","","0.0579","0.0584","","","","","","1.041","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107119","11.5423","0.0004","14.334","0.0006","40.0455","0.0013","90","","90","","90","","6625.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C75.5 H58.5 Au Cl1.5 O4.5 P2 Si2 -","- C75.5 H58.5 Au Cl1.5 O4.5 P2 Si2 -","- C302 H234 Au4 Cl6 O18 P8 Si8 -","4","1","","Mihai Raducan; Maria Moreno; Christophe Bour; Antonio M. Echavarren","Phosphate ligands in the gold(I)-catalysed activation of enynes","Chem.Commun.","2012","48","","52","","10.1039/c1cc15739f","","","0.71073","MoKα","","0.0968","0.062","","","0.1398","0.1598","","","","","","1.022","","","","has coordinates,has disorder","288243","2023-12-12","09:57:15",""
"7107120","11.7382","0.0012","14.4403","0.0014","40.493","0.004","90","","90","","90","","6863.7","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C76 H66 Au O7.5 P2 Si2 -","- C76 H66 Au O7.5 P2 Si2 -","- C304 H264 Au4 O30 P8 Si8 -","4","1","","Mihai Raducan; Maria Moreno; Christophe Bour; Antonio M. Echavarren","Phosphate ligands in the gold(I)-catalysed activation of enynes","Chem.Commun.","2012","48","","52","","10.1039/c1cc15739f","","","0.71073","MoKα","","0.0644","0.0588","","","0.1424","0.1464","","","","","","1.142","","","","has coordinates,has disorder","288243","2023-12-12","09:57:15",""
"7107138","9.1625","0.0007","9.861","0.0009","13.9682","0.0012","90","","90","","90","","1262.05","0.19","123.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Fuye Gao; Craig T. M. Stamp; Paul D. Thornton; T. Stanley Cameron; Lauren E. Doyle; David O. Miller; D. Jean Burnell","Selective formation of angular tricyclic compounds by ruthenium-mediated ring-rearrangement metathesis","Chem.Commun.","2012","48","","233","","10.1039/c1cc15452d","","","0.7107","MoKα","","","0.0546","","","","0.0691","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107153","7.17","0.009","9.739","0.013","25.97","0.03","90","","90","","90","","1813","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br O4 -","- C21 H17 Br O4 -","- C84 H68 Br4 O16 -","4","1","","Xianxing Jiang; Lipeng Wu; Yanhong Xing; Long Wang; Shoulei Wang; Zongyao Chen; Rui Wang","Highly enantioselective Friedel-Crafts alkylation reaction catalyzed by rosin-derived tertiary amine-thiourea: synthesis of modified chromanes with anticancer potency","Chem.Commun.","2012","48","","446","","10.1039/c1cc14379d","","","0.71073","MoKα","","0.1087","0.0587","","","0.1109","0.1282","","","","","","0.954","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107196","6.5549","0.0011","11.7027","0.0019","31.294","0.005","90","","90","","90","","2400.6","0.7","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 B10 N O4 -","- C18 H29 B10 N O4 -","- C72 H116 B40 N4 O16 -","4","1","","H. Y. Vincent Ching; Damian P. Buck; Mohan Bhadbhade; J. Grant Collins; Louis M. Rendina","A Ternary Supramolecular System Containing a Boronated DNA-Metallointercalator, b-Cyclodextrin and the Hexanucleotide d(GTCGAC)<sub>2</sub>","Chem.Commun.","2012","48","","880","","10.1039/c1cc15552k","","","0.71073","MoKα","","0.0469","0.0394","","","0.0905","0.0943","","","","","","1.027","","","","has coordinates","180175","2020-10-21","18:00:00",""
"7107236","5.5476","0.0008","11.7755","0.0016","20.368","0.002","90","","90","","90","","1330.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F6 N5 O P -","- C9 H10 F6 N5 O P -","- C36 H40 F24 N20 O4 P4 -","4","1","","Kwang-Ming Lee; Jack C. C. Chen; Hsing-Yin Chen; Ivan J. B. Lin","A triple helical structure supported solely by C-HO hydrogen bonding","Chem.Commun.","2012","48","","1242","","10.1039/c1cc15656j","","","0.71073","MoKα","","0.0427","0.0368","","","0.0944","0.0993","","","","","","1.036","","","","has coordinates,has disorder","180176","2020-10-21","18:00:00",""
"7107242","10.7414","0.0012","12.1903","0.0012","32.074","0.003","90","","90","","90","","4199.8","0.7","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H44 O4 Si2 -","- C52 H44 O4 Si2 -","- C208 H176 O16 Si8 -","4","1","","Takanori Shibata; Toshifumi Uchiyama; Yusuke Yoshinami; Satoshi Takayasu; Kyoji Tsuchikama; Kohei Endo","Highly enantioselective synthesis of silahelicenes using Ir-catalyzed [2+2+2] cycloaddition","Chem.Commun.","2012","48","","1311","","10.1039/c1cc16762f","","","0.71075","MoKα","","","0.0576","","","","0.1727","","","","","","1.29","","","","has coordinates","180176","2020-10-21","18:00:00",""
"7107270","6.655","0.0004","8.3541","0.0005","17.7593","0.0012","90","","90","","90","","987.36","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl Dy -","- C10 H10 Cl Dy -","- C40 H40 Cl4 Dy4 -","4","1","","Scott A. Sulway; Richard A. Layfield; Floriana Tuna; Wolfgang Wernsdorfer; Richard E. P. Winpenny","Single-molecule magnetism in cyclopentadienyl-dysprosium chlorides","Chem. Commun.","2012","48","","1508","","10.1039/c1cc14643b","","","0.71073","MoKα","","0.0405","0.0326","","","0.0457","0.0469","","","","","","0.906","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107314","6.0339","0.0007","7.6092","0.0009","23.135","0.003","90","","90","","90","","1062.2","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N -","- C14 H13 N -","- C56 H52 N4 -","4","1","","Dejan-Kresimir Bucar; Arundhuti Sen; S. V. Santhana Mariappan; L.R.MacGillivray","A [2+2] cross-photodimerisation of photostable olefins via a three-component cocrystal solid solution","Chem.Commun.","2012","48","","1790","","10.1039/c2cc15453f","","","0.71073","MoKα","","0.0486","0.038","","","0.0929","0.0973","","","","","","1.151","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107321","7.9672","0.0003","12.0266","0.0005","21.1513","0.0009","90","","90","","90","","2026.68","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O5 -","- C23 H25 N O5 -","- C92 H100 N4 O20 -","4","1","","Jieming Zhang; Zuliang Chen; Hai-Hong Wu; Junliang Zhang","Ni(ClO4)2-catalysed regio- and diastereoselective [3+2] cycloaddition of indoles and aryl oxiranyl-dicarboxylates/diketones: a facile access to furo[3,4-b]indoles","Chem.Commun.","2012","48","","1817","","10.1039/c2cc16918e","","","0.71073","MoKα","","0.034","0.0336","","","0.0928","0.0934","","","","","","1.048","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107330","11.2588","0.0001","11.763","0.0002","12.8358","0.0002","90","","90","","90","","1699.94","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C84 H100 N12 O8 -","4","1","","Nigel Simpkins; Ilias Pavlakos; Louise Male","Rapid access to polycyclic indolines related to the stephacidin alkaloids using a radical cascade","Chem.Commun.","2012","48","","1958","","10.1039/c1cc16510k","","","1.54178","CuKα","","0.0344","0.0329","","","0.0849","0.0861","","","","","","1.068","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107345","13.0384","0.0008","14.2144","0.0008","16.4829","0.0008","90","","90","","90","","3054.8","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H54 Li N5 Zn -","- C25 H54 Li N5 Zn -","- C100 H216 Li4 N20 Zn4 -","4","1","","Sharon E. Baillie; Victoria L. Blair; David C. Blakemore; Duncan Hay; Alan R. Kennedy; David C. Pryde; Eva Hevia","New lithium-zincate approaches for the selective functionalisation of pyrazine: direct dideprotozincation vs. nucleophilic alkylation","Chem.Commun.","2012","48","","1985","","10.1039/c2cc16959b","","","0.71073","MoKα","","0.0829","0.0447","","","0.0534","0.058","","","","","","0.787","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107364","6.7021","0.0007","10.279","0.001","22.975","0.002","90","","90","","90","","1582.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N3 O3 -","- C16 H18 Br N3 O3 -","- C64 H72 Br4 N12 O12 -","4","1","","Maria Gonzalez Esguevillas; Javier Adrio; Juan C. Carretero","Cu-catalyzed asymmetric [3+2] cycloaddition of a-iminoamides with activated olefins","Chem.Commun.","2012","48","","2149","","10.1039/c2cc17149j","","","0.71073","MoKα","","0.0239","0.0204","","","0.0573","0.0745","","","","","","1.178","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107373","11.173","0.0013","22.609","0.003","25.378","0.003","90","","90","","90","","6410.7","1.4","93","","93","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H53 Cl9 F6 P2 Rh Sb -","- C66 H53 Cl9 F6 P2 Rh Sb -","- C264 H212 Cl36 F24 P8 Rh4 Sb4 -","4","1","","Ilya D. Gridnev; Elisabetta Alberico; Serafino Gladiali","Captured at last: a catalyst-substrate adduct and a Rh-dihydride solvate in the asymmetric hydrogenation by a Rh-monophosphine catalyst","Chem.Commun.","2012","48","","2186","","10.1039/c2cc17335b","","","0.71075","MoKα","","","0.051","","","","0.1278","","","","","","1","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107380","10.3018","0.0005","18.0268","0.0008","36.4909","0.0017","90","","90","","90","","6776.7","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H90 Cl4 Fe2 N4 O27 -","- C52 H90 Cl4 Fe2 N4 O27 -","- C208 H360 Cl16 Fe8 N16 O108 -","4","1","","Thierry Ollevier; Baptiste Plancq","Highly efficient Mukaiyama aldol reaction in aqueous conditions using a chiral bipyridine iron(II) catalyst","Chem.Commun.","2012","48","","2289","","10.1039/c1cc16409k","","","1.54178","CuKα","","0.0984","0.0488","","","0.0874","0.0942","","","","","","1.029","","","","has coordinates,has disorder","180177","2020-10-21","18:00:00",""
"7107396","8.585","0.0009","16.0692","0.0018","19.252","0.002","90","","90","","90","","2655.9","0.5","110","2","110","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N3 -","- C30 H37 N3 -","- C120 H148 N12 -","4","1","","Vincent Cesar; Jean-Christophe Tourneux; Nadia Vujkovic; Remy Brousses; Noel Lugan; Guy Lavigne","Interplay between an elusive 4-(isopropylamino)imidazol-2-ylidene and its isolable mesoionic tautomer, and associated reactivities","Chem. Commun.","2012","48","","2349","","10.1039/c2cc17870b","","x-ray","0.71073","MoKα","","0.0408","0.0355","","","0.0919","0.0962","","","","","","1.037","","","","has coordinates","180177","2020-10-21","18:00:00",""
"7107405","10.222","0.005","19.352","0.01","23.638","0.013","90","","90","","90","","4676","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H69 N7 S Si4 Zr -","- C39 H69 N7 S Si4 Zr -","- C156 H276 N28 S4 Si16 Zr4 -","4","1","","Thorsten Gehrmann; Matthias Kruck; Hubert Wadepohl; Lutz H. Gade","Stitching together SNx units in the coordination sphere of zirconium: assembly of a tris(imido)sulfite and a hydrazidobis(imido)sulfite","Chem.Commun.","2012","48","","2397","","10.1039/c2cc17594k","","x-ray","0.71073","MoKα","","0.0526","0.0374","","","0.0726","0.0788","","","","","","1.043","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107406","8.923","0.005","12.21","0.005","15.345","0.005","90","0.005","90","0.005","90","0.005","1671.8","1.3","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 -","- C18 H17 N O5 -","- C72 H68 N4 O20 -","4","1","","Xin Huang; Jin Peng; Lin Dong; Ying-Chun Chen","Asymmetric assembly of 2-oxindole and a-angelica lactone units to construct vicinal quaternary chiral centers","Chem.Commun.","2012","48","","2439","","10.1039/c2cc17777c","","","1.54184","CuKα","","0.0285","0.0283","","","0.0737","0.074","","","","","","1.051","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107407","10.3994","0.0002","12.5653","0.0002","21.0997","0.0003","90","","90","","90","","2757.13","0.08","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 I N O Si Sn -","- C25 H40 I N O Si Sn -","- C100 H160 I4 N4 O4 Si4 Sn4 -","4","1","","Christian Unkelbach; Bors C. Abele; Klaus Lehmen; Daniel Schildbach; Benedikt Waerder; Kerstin Wild; Carsten Strohmann","A diastereomerically enriched, dimeric organolithium compound and the stereochemical course of its transformations","Chem.Commun.","2012","48","","2492","2494","10.1039/c1cc15872d","","","0.71073","MoKα","","0.0253","0.0207","","","0.0417","0.0421","","","","","","1.009","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107423","5.89431","0.00012","8.01643","0.00017","30.0923","0.0006","90","","90","","90","","1421.9","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Shovan Mondal; Malek Nechab; Nicolas Vanthuyne; Michele P. Bertrand","One-pot Crabb? homologation-radical cascade cyclisation with memory of chirality","Chem.Commun.","2012","48","","2549","","10.1039/c2cc17830c","","","1.5418","CuKα","","0.0324","0.0317","","0.0809","0.0803","0.0809","","","","","","0.991","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107457","8.422","0.0017","10.23","0.002","20.787","0.004","90","","90","","90","","1790.9","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 S -","- C19 H23 N O2 S -","- C76 H92 N4 O8 S4 -","4","1","","Carole Palacio; Stephen J. Connon","A novel C-5' substituted cinchona alkaloid-derived catalyst promotes additions of alkyl thiols to nitroolefins with excellent enantioselectivity","Chem.Commun.","2012","48","","2849","","10.1039/c2cc17965b","","","0.71073","MoKα","","0.0855","0.0639","","","0.1936","0.2624","","","","","","1.156","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107491","6.6331","0.0004","15.38","0.001","15.6364","0.001","90","","90","","90","","1595.18","0.17","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl N O5 -","- C15 H18 Cl N O5 -","- C60 H72 Cl4 N4 O20 -","4","1","","Klaus Harrar; Oliver Reiser","Enantioselective Synthesis of (-)-Paeonilide","Chem. Commun.","2012","48","","3457","","10.1039/c2cc18172j","","x-ray","1.54184","CuKα","","0.0868","0.0738","","","0.2097","0.2274","","","","","","1.089","","","","has coordinates","180178","2020-10-21","18:00:00",""
"7107506","7.0704","0.0014","9.5189","0.0019","20.411","0.004","90","","90","","90","","1373.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Gang Zhao; Shan Qian","Total synthesis of (+)-chloranthalactone F","Chem.Commun.","2012","48","","3530","","10.1039/c2cc17882f","","","0.71073","MoKα","","0.0437","0.039","","","0.1004","0.1045","","","","","","1.051","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107507","11.7192","0.0009","12.372","0.0009","16.8928","0.0012","90","","90","","90","","2449.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 O4 -","- C30 H32 O4 -","- C120 H128 O16 -","4","1","","Gang Zhao; Shan Qian","Total synthesis of (+)-chloranthalactone F","Chem.Commun.","2012","48","","3530","","10.1039/c2cc17882f","","","0.71073","MoKα","","0.044","0.0376","","","0.0959","0.0997","","","","","","1.027","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107515","8.306","0.003","9.746","0.003","18.935","0.006","90","","90","","90","","1532.8","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 F N O2 -","- C18 H20 F N O2 -","- C72 H80 F4 N4 O8 -","4","1","","Michal Fornalczyk; Kuldip Singh; Alison M. Stuart","Synthesis of a-fluoro-B-hydroxy esters by an enantioselective Reformatsky-type reaction","Chem.Commun.","2012","48","","3500","","10.1039/c2cc17985g","","","0.71073","MoKα","","0.0505","0.0417","","","0.0774","0.0801","","","","","","0.995","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107532","10.2009","0.001","12.1922","0.0015","13.7244","0.0016","90","","90","","90","","1706.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Cl2 N4 O2 Pd -","- C12 H26 Cl2 N4 O2 Pd -","- C48 H104 Cl8 N16 O8 Pd4 -","4","1","","Hiroyuki Miyake; Masashi Ueda; Saori Murota; Hideki Sugimoto; Hiroshi Tsukube","Helicity Inversion from Left- to Right-Handed Square Planar Pd(II) Complexes: Synthesis of a Diastereomer Pair from a Single Chiral Ligand and their Structure Dynamism","Chem.Commun.","2012","48","","3721","","10.1039/c2cc18154a","","","0.7107","MoKα","","0.0204","0.0195","","","0.0447","0.0449","","","","","","1.01","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107533","7.0991","0.001","14.147","0.002","15.733","0.002","90","","90","","90","","1580.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 Cl N4 O2 Pd -","- C12 H25 Cl N4 O2 Pd -","- C48 H100 Cl4 N16 O8 Pd4 -","4","1","","Hiroyuki Miyake; Masashi Ueda; Saori Murota; Hideki Sugimoto; Hiroshi Tsukube","Helicity Inversion from Left- to Right-Handed Square Planar Pd(II) Complexes: Synthesis of a Diastereomer Pair from a Single Chiral Ligand and their Structure Dynamism","Chem.Commun.","2012","48","","3721","","10.1039/c2cc18154a","","","0.7107","MoKα","","0.028","0.0265","","","0.0541","0.0545","","","","","","1.131","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107537","7.4412","0.0016","10.655","0.002","17.446","0.004","90","","90","","90","","1383.2","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N4 -","- C16 H18 N4 -","- C64 H72 N16 -","4","1","","Lars-Arne Schaper; Karl Ofele; Renat Kadyrov; Bettina Bechlars; Markus Drees; Mirza Cokoja; Wolfgang A. Herrmann; Fritz E. Kuhn","N-Heterocyclic Carbenes via Abstraction of Ammonia Filling a Gap: ""Normal"" Carbenes with ""Abnormal"" Character","Chem.Commun.","2012","48","","3857","","10.1039/c2cc30611e","","","0.71073","MoKα","","0.0318","0.0302","","","0.0747","0.0759","","","","","","1.19","","","","has coordinates","180179","2020-10-21","18:00:00",""
"7107573","20.0376","0.0018","20.874","0.0019","20.9807","0.0019","90","","90","","90","","8775.5","1.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H53 Fe4 Mn3 N4 O54.5 Sb6 -","- C49 H12 Fe4 Mn3 N4 O54.5 Sb6 -","- C196 H48 Fe16 Mn12 N16 O218 Sb24 -","4","1","","Qiang Gao; Xiqu Wang; Allan J. Jacobson","A homochiral diamond framework constructed from Fe(III) and Mn(II) oxo-clusters supported by Sb(III) tartrate scaffolds","Chem.Commun.","2012","48","","3990","","10.1039/c2cc18174f","","","0.71073","MoKα","","0.0438","0.039","","","0.1131","0.1159","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107630","5.3417","0.0012","9.098","0.002","32.164","0.007","90","","90","","90","","1563.1","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Br O -","- C19 H15 Br O -","- C76 H60 Br4 O4 -","4","1","","Yanqing Zhang; Junliang Zhang","Kinetic resolution of 1-(1-alkynyl)cyclopropyl ketones by gold(I)-catalyzed asymmetric [4+3]cycloaddition with nitrones: scope, mechanism and applications","Chem.Commun.","2012","48","","4710","","10.1039/c2cc30309d","","","0.71073","MoKα","","0.0706","0.0382","","","0.066","0.0751","","","","","","1.021","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107638","5.6093","0.0012","14.34","0.002","39.901","0.004","90","","90","","90","","3209.5","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br F O -","- C10 H11 Br F O -","- C120 H132 Br12 F12 O12 -","12","3","","Michael Krische; Abbas Hassan; Timothy Montgomery","Consecutive iridium catalyzed C-C and C-H bond forming hydrogenations for the diastereo- and enantioselective synthesis of syn-3-fluoro-1-alcohols: C-H (2-fluoro)allylation of primary alcohols","Chem.Commun.","2012","48","","4692","","10.1039/c2cc31743e","","","0.71075","MoKα","","0.1404","0.0764","","","0.1259","0.1521","","","","","","1.129","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107646","7.6845","0.0001","15.206","0.0004","22.1725","0.0006","90","","90","","90","","2590.87","0.1","298","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","(13S,16R,17R,18R)-benzyl-7-benzyl-8-(2-bromophenyl) -2-methoxy-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate.","","- C28 H29 Br N2 O4 -","- C28 H29 Br N2 O4 -","- C112 H116 Br4 N8 O16 -","4","1","","Heloise Brice; Duncan M. Gill; Laura Goldie; Philip S. Keegan; William J. Kerr; Per H. Svensson","Stereocontrolled access to optically-enriched oxabispidines","Chem.Commun.","2012","48","","4836","","10.1039/c2cc30761h","","","0.71073","MoKα","","0.0642","0.0316","","","0.0794","0.1015","","","","","","0.963","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107659","5.9323","0.0003","10.0252","0.0008","18.0127","0.0016","90","","90","","90","","1071.26","0.14","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 S -","- C11 H12 N2 S -","- C44 H48 N8 S4 -","4","1","","You-Dong Song; Shi-Kai Tian","A highly enantioselective catalytic Strecker reaction of cyclic (Z)-aldimines","Chem.Commun.","2012","48","","4899","","10.1039/c2cc31001e","","","0.71073","MoKα","","0.0366","0.0317","","","0.0754","0.0783","","","","","","1.045","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107689","8.352","0.0005","12.0788","0.001","21.7041","0.0017","90","","90","","90","","2189.6","0.3","135.05","0.1","135.05","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Br N O5 -","- C18 H19 Br N O5 -","- C72 H76 Br4 N4 O20 -","4","1","","Yang Yang; Shunxi Dong; Xiaohua Liu; Lili Lin; Xiaoming Feng","Chiral guanidine-catalyzed asymmetric direct vinylogous Michael reaction of a,B-unsaturated Y-butyrolactams with alkylidene malonates","Chem.Commun.","2012","48","","5040","","10.1039/c2cc31470c","","","0.7107","MoKα","","0.134","0.0958","","","0.2459","0.281","","","","","","0.992","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107691","11.7891","0.0007","12.4396","0.0008","22.9328","0.0014","90","","90","","90","","3363.1","0.4","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 F2 N3 Si6 U -","- C18 H54 F2 N3 Si6 U -","- C72 H216 F8 N12 Si24 U4 -","4","1","","Andrew J. Lewis; Eiko Nakamaru-Ogiso; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter","Pentavalent Uranium Trans-Dihalides and -Pseudohalides","Chem.Commun.","2012","48","","4977","","10.1039/c2cc31601c","","","0.71073","MoKα","","0.0188","0.0176","","","0.0422","0.0427","","","","","","1.054","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107692","11.9533","0.0004","12.5081","0.0004","22.874","0.0008","90","","90","","90","","3420","0.2","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 Cl2 N3 Si6 U -","- C18 H54 Cl2 N3 Si6 U -","- C72 H216 Cl8 N12 Si24 U4 -","4","1","","Andrew J. Lewis; Eiko Nakamaru-Ogiso; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter","Pentavalent Uranium Trans-Dihalides and -Pseudohalides","Chem.Commun.","2012","48","","4977","","10.1039/c2cc31601c","","","0.71073","MoKα","","0.0116","0.011","","","0.028","0.0281","","","","","","1.011","","","","has coordinates","180180","2020-10-21","18:00:00",""
"7107694","11.8481","0.0006","12.5048","0.0005","22.9076","0.0011","90","","90","","90","","3393.9","0.3","143","1","143","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 Cl F N3 Si6 U -","- C18 H54 Cl F N3 Si6 U -","- C72 H216 Cl4 F4 N12 Si24 U4 -","4","1","","Andrew J. Lewis; Eiko Nakamaru-Ogiso; James M. Kikkawa; Patrick J. Carroll; Eric J. Schelter","Pentavalent Uranium Trans-Dihalides and -Pseudohalides","Chem.Commun.","2012","48","","4977","","10.1039/c2cc31601c","","","0.71073","MoKα","","0.0247","0.0194","","","0.0379","0.0394","","","","","","1.01","","","","has coordinates,has disorder","180180","2020-10-21","18:00:00",""
"7107701","11.9894","0.0007","13.0968","0.0008","17.2527","0.001","90","","90","","90","","2709.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Br N2 O7 -","- C27 H27 Br N2 O7 -","- C108 H108 Br4 N8 O28 -","4","1","","Liang-Liang Wang; Jian-Fei Bai; Lin Peng; Liang-Wen Qi; Li-Na Jia; Yun-Long Guo; Xi-Ya Luo; Xiaoying Xu; Li-xin Wang","Organocatalytic stereocontrolled synthesis of 3,3'-pyrrolidinyl spirooxindoles by [3+2] annulation of isocyanoesters with methyleneindolinones","Chem.Commun.","2012","48","","5175","","10.1039/c2cc30746d","","","0.71073","MoKα","","0.0273","0.0224","","","0.0519","0.0529","","","","","","0.994","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107702","12.0989","0.0002","12.7731","0.0002","16.3369","0.0003","90","","90","","90","","2524.71","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N2 O7 -","- C27 H28 N2 O7 -","- C108 H112 N8 O28 -","4","1","","Liang-Liang Wang; Jian-Fei Bai; Lin Peng; Liang-Wen Qi; Li-Na Jia; Yun-Long Guo; Xi-Ya Luo; Xiaoying Xu; Li-xin Wang","Organocatalytic stereocontrolled synthesis of 3,3'-pyrrolidinyl spirooxindoles by [3+2] annulation of isocyanoesters with methyleneindolinones","Chem.Commun.","2012","48","","5175","","10.1039/c2cc30746d","","","1.54178","CuKα","","0.0326","0.0326","","","0.0844","0.0844","","","","","","1.168","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107705","9.6237","0.0006","11.9478","0.0007","12.4395","0.0008","90","","90","","90","","1430.32","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Shu-Wen Duan; Yang Li; Yi-Yin Liu; You-Quan Zou; De-Qing Shi; Wen-Jing Xiao","An organocatalytic Michael-aldol cascade: formal [3+2] annulation to construct enantioenriched spirocyclic oxindole derivatives","Chem.Commun.","2012","48","","5160","","10.1039/c2cc30931a","","","0.71073","MoKα","","0.0297","0.0265","","","0.0637","0.0646","","","","","","1.035","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7107745","9.745","0.003","11.871","0.003","18.087","0.005","90","","90","","90","","2092.4","1","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 F N O5 S -","- C22 H22 F N O5 S -","- C88 H88 F4 N4 O20 S4 -","4","1","","Guo-Xing Li; Jin Qu","Enantioselective Friedel-Crafts reactions between phenols and N-tosylaldimines catalyzed by a leucine-derived bifunctional catalyst","Chem.Commun.","2012","48","","5518","","10.1039/c2cc31735d","","","0.71073","MoKα","","0.0394","0.0337","","","0.0679","0.07","","","","","","1.019","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107757","5.2806","0.0002","8.1975","0.0002","37.8235","0.0011","90","","90","","90","","1637.29","0.09","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br N O2 -","- C19 H16 Br N O2 -","- C76 H64 Br4 N4 O8 -","4","1","","Utpal Das; Chan-Hui Huang; Wenwei Lin","Enantioselective synthesis of substituted pyrans via amine-catalyzed Michael addition and subsequent enolization/cyclisation","Chem.Commun.","2012","48","","5590","","10.1039/c2cc31445b","","","0.71073","MoKα","","0.0391","0.03","","","0.0598","0.0627","","","","","","0.982","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107758","5.5785","0.0004","15.6744","0.0008","22.2663","0.0014","90","","90","","90","","1947","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O2 -","- C22 H20 Br N O2 -","- C88 H80 Br4 N4 O8 -","4","1","","Utpal Das; Chan-Hui Huang; Wenwei Lin","Enantioselective synthesis of substituted pyrans via amine-catalyzed Michael addition and subsequent enolization/cyclisation","Chem.Commun.","2012","48","","5590","","10.1039/c2cc31445b","","","0.71073","MoKα","","0.1278","0.05","","","0.0755","0.0922","","","","","","0.934","","","","has coordinates,has disorder","180181","2020-10-21","18:00:00",""
"7107790","13.0266","0.0013","19.7736","0.0019","28.953","0.003","90","","90","","90","","7457.8","1.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C147 H234 Fe4 N8 O13 -","- C147 H230 Fe4 N8 O13 -","- C294 H460 Fe8 N16 O26 -","2","0.5","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.1282","0.0873","","","0.1792","0.192","","","","","","1.183","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107793","14.237","0.002","19.981","0.003","22.218","0.003","90","","90","","90","","6320.3","1.6","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C79 H62 Br Cl2 Fe N2 O5 -","- C79 H60 Br Cl2 Fe N2 O5 -","- C316 H240 Br4 Cl8 Fe4 N8 O20 -","4","1","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.0561","0.0444","","","0.1093","0.1157","","","","","","1.013","","","","has coordinates","180181","2020-10-21","18:00:00",""
"7107794","13.6693","0.0014","25.349","0.003","27.02","0.003","90","","90","","90","","9362.5","1.8","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C111 H86.5 Br1.5 Fe2 N4 O6.5 -","- C111 H75.418 Br1.5 Fe2 N4 O6.5 -","- C444 H301.672 Br6 Fe8 N16 O26 -","4","1","","Kenji Matsumoto; Hiromichi Egami; Takuya Oguma; Tsutomu Katsuki","What factors influence the catalytic activity of iron-salan complexes for aerobic oxidative coupling of 2-naphthols?","Chem.Commun.","2012","48","","5823","","10.1039/c2cc18090a","","","0.71073","MoKα","","0.1372","0.1061","","","0.2848","0.3152","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7107806","11.061","0.004","11.333","0.004","16.323","0.005","90","","90","","90","","2046.2","1.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C92 H128 O12 -","4","1","","Daniel Morton; Allison R. Dick; Debashis Ghosh; Huw M. L. Davies","Convenient method for the functionalization of the 4- and 6-positions of the androgen skeleton","Chem.Commun.","2012","48","","5838","","10.1039/c2cc31973j","","","1.54178","CuKα","","0.2368","0.081","","","0.148","0.197","","","","","","1.016","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107818","18.582","0.003","18.646","0.003","24.646","0.004","90","","90","","90","","8539","2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","potassium aluminium-octadecaniobate","","","- Al H63 K14 Nb18 O85 -","- Al K14 Nb18 O85 -","- Al4 K56 Nb72 O340 -","4","1","","Yu Hou; Todd Alam; Mark A. Rodriguez; May Nyman","Aqueous compatibility of group IIIA monomers and Nb-polyoxoanions","Chem.Commun.","2012","48","","6004","","10.1039/c2cc31284k","","","0.71073","MoKα","","0.046","0.0414","","","0.1019","0.105","","","","","","1.088","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107819","18.6023","0.0018","18.6225","0.0018","24.567","0.002","90","","90","","90","","8510.5","1.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- Ga H62 K14 Na Nb18 O85 -","- Ga K14 Na Nb18 O85 -","- Ga4 K56 Na4 Nb72 O340 -","4","1","","Yu Hou; Todd Alam; Mark A. Rodriguez; May Nyman","Aqueous compatibility of group IIIA monomers and Nb-polyoxoanions","Chem.Commun.","2012","48","","6004","","10.1039/c2cc31284k","","","0.71073","MoKα","","0.0271","0.0253","","","0.0621","0.0632","","","","","","1.102","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107822","16.0969","0.0004","22.4367","0.0005","27.7516","0.0007","90","","90","","90","","10022.8","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84.5 H136 B2 Cl6 O28 P2 -","- C84.5 H136 B2 Cl6 O28 P2 -","- C338 H544 B8 Cl24 O112 P8 -","4","1","","Matthieu Jouffroy; Rafael Gramage-Doria; Dominique Armspach; Dominique Matt; Loic Toupet","Regioselective opening of proximally sulfato-capped cyclodextrins","Chem.Commun.","2012","48","","6028","","10.1039/c2cc31302b","","","0.71073","MoKα","","0.2114","0.0935","","","0.2283","0.2645","","","","","","0.932","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7107845","6.9681","0.0001","9.1696","0.0002","20.5119","0.0004","90","","90","","90","","1310.6","0.04","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br2 O -","- C14 H12 Br2 O -","- C56 H48 Br8 O4 -","4","1","","Sawano, Takahiro; Ou, Keiyu; Nishimura, Takahiro; Hayashi, Tamio","Cobalt-catalyzed asymmetric addition of silylacetylenes to oxa- and azabenzonorbornadienes","Chemical Communications (Cambridge, United Kingdom)","2012","48","49","6106","6108","10.1039/c2cc31880f","","","1.54187","CuKα","","0.0416","0.0392","","","0.1054","0.1109","","","","","","0.838","","","","has coordinates","275221","2022-05-08","21:42:00",""
"7107872","9.5004","0.0005","14.8567","0.0007","21.8984","0.0011","90","","90","","90","","3090.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 I N O3 -","- C17 H12 I N O3 -","- C136 H96 I8 N8 O24 -","8","2","","Min-Qiang Jia; Shu-Li You","Desymmetrization of cyclohexadienones viaD-camphor-derived triazolium salt catalyzed intramolecular Stetter reaction","Chem.Commun.","2012","48","","6363","","10.1039/c2cc32783j","","","0.71073","MoKα","","0.0408","0.0362","","","0.0799","0.0824","","","","","","1.061","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107884","11.4032","0.0007","14.2768","0.0008","16.2935","0.0007","90","","90","","90","","2652.6","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Cl2 N3 O4 -","- C28 H29 Cl2 N3 O4 -","- C112 H116 Cl8 N12 O16 -","4","1","","Sachin G. Modha; Dipak D. Vachhani; Jeroen Jacobs; Luc Van Meervelt; Erik V. Van der Eycken","A concise route to indoloazocines via a sequential Ugi-gold-catalyzed intramolecular hydroarylation","Chem.Commun.","2012","48","","6550","","10.1039/c2cc32586a","","","0.7107","MoKα","","0.0624","0.0448","","","0.0927","0.1038","","","","","","1.04","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107899","14.635","0.002","17.948","0.003","35.657","0.005","90","","90","","90","","9366","2","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C95 H144 K N O12 Si Ta2 -","- C95 H144 K N O12 Si Ta2 -","- C380 H576 K4 N4 O48 Si4 Ta8 -","4","1","","Takashi Kurogi; Yutaka Ishida; Tsubasa Hatanaka; Hiroyuki Kawaguchi","Multielectron reduction of diazoalkane and azides via reversible cyclometalation in ditantalum complexes","Chem.Commun.","2012","48","","6809","","10.1039/c2cc32535g","","","0.71075","MoKα","","0.0602","0.0539","","","0.1253","0.1308","","","","","","1.117","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107917","10.6088","0.0009","15.04","0.0013","16.0365","0.0016","90","","90","","90","","2558.7","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Cl N O3 P Re -","- C28 H22 Cl N O3 P Re -","- C112 H88 Cl4 N4 O12 P4 Re4 -","4","1","","Eszter Takacs; Aude Escande; Nicolas Vanthuyne; Christian Roussel; Christophe Lescop; Elisabeth Guinard; Camille Latouche; Abdou Boucekkine; Jeanne Crassous; Regis Reau; Muriel Hissler","Rhenium complexes bearing phosphole-pyridine chelates: simple molecules with large chiroptical properties","Chem.Commun.","2012","48","","6705","","10.1039/c2cc32542j","","","0.71073","MoKα","","0.0505","0.0409","","","0.0792","0.0826","","","","","","0.938","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107918","11.2329","0.0008","14.0307","0.0012","17.938","0.0014","90","","90","","90","","2827.1","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl3 N O3 P Re -","- C29 H24 Cl3 N O3 P Re -","- C116 H96 Cl12 N4 O12 P4 Re4 -","4","1","","Eszter Takacs; Aude Escande; Nicolas Vanthuyne; Christian Roussel; Christophe Lescop; Elisabeth Guinard; Camille Latouche; Abdou Boucekkine; Jeanne Crassous; Regis Reau; Muriel Hissler","Rhenium complexes bearing phosphole-pyridine chelates: simple molecules with large chiroptical properties","Chem.Commun.","2012","48","","6705","","10.1039/c2cc32542j","","","0.71073","MoKα","","0.027","0.0241","","","0.0581","0.0814","","","","","","1.102","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107919","4.7611","0.0002","13.0291","0.0006","23.953","0.001","90","","90","","90","","1485.87","0.11","100","","100","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 O2 -","- C22 H14 O2 -","- C88 H56 O8 -","4","1","","Brandon Djukic; Dmitrii Perepichka","Unexpected formation of a cyclic vinylene sulfate in the synthesis of ethynyl-substituted acenes","Chem.Commun.","2012","48","","6651","","10.1039/c2cc32805d","","","1.54178","CuKα","","0.037","0.0345","","","0.0963","0.099","","","","","","1.023","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107938","9.403","0.0003","10.4777","0.0004","36.3472","0.0012","90","","90","","90","","3581","0.2","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 Cl N O4 S Sn -","- C33 H48 Cl N O4 S Sn -","- C132 H192 Cl4 N4 O16 S4 Sn4 -","4","1","","Akio Kamimura; Shingo Ishikawa; Fumiaki Noguchi; Takaaki Moriyama; Masahiro So; Toshihiro Murafuji; Hidemitsu Uno","Unexpected formation of stannolanes and trigonal bipyramidal tin complexes by radical cyclization reaction","Chem.Commun.","2012","48","","6592","","10.1039/c2cc31753b","","","0.71075","MoKα","","","0.0308","","","","0.0812","","","","","","1.05","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7107959","9.439","0.003","16.6","0.004","18.026","0.004","90","","90","","90","","2824.4","1.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 N O3 S -","- C11 H21 N O3 S -","- C88 H168 N8 O24 S8 -","8","2","","Sachitanand M. Mali; Sandip V. Jadhav; Hosahudya N. Gopi","Copper(II) mediated facile and ultra fast peptide synthesis in methanol","Chem.Commun.","2012","48","","7085","","10.1039/c2cc32581k","","","0.71073","MoKα","","0.1209","0.0628","","","0.1378","0.1676","","","","","","0.934","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107963","8.5141","0.0017","11.318","0.002","26.647","0.005","90","","90","","90","","2567.8","0.8","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 N4 O7 -","- C26 H22 Cl2 N4 O7 -","- C104 H88 Cl8 N16 O28 -","4","1","","Fei Yang; Yugen Zhu; Biao Yu","A dramatic concentration effect on the stereoselectivity of N-glycosylation for the synthesis of 2'-deoxy-beta-ribonucleosides","Chem.Commun.","2012","48","","7097","","10.1039/c2cc33155a","","","1.54178","CuKα","","0.0431","0.038","","","0.0968","0.1007","","","","","","1.075","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107964","5.431","0.0005","19.467","0.0017","30.338","0.003","90","","90","","90","","3207.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Br N5 O9 -","- C31 H32 Br N5 O9 -","- C124 H128 Br4 N20 O36 -","4","1","","Fei Yang; Yugen Zhu; Biao Yu","A dramatic concentration effect on the stereoselectivity of N-glycosylation for the synthesis of 2'-deoxy-beta-ribonucleosides","Chem.Commun.","2012","48","","7097","","10.1039/c2cc33155a","","","0.71073","MoKα","","0.0705","0.0441","","","0.0915","0.1036","","","","","","1.008","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107978","18.113","0.014","24.5","0.02","27.36","0.02","90","","90","","90","","12142","16","100","2","100","2","","","101.325","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","HexaD","Alpha-Gamma mixed peptide","","- C54 H78 N6 O9.5 -","- C54 H78 N6 O9.5 -","- C432 H624 N48 O76 -","8","2","","Anupam Bandyopadhyay; Sandip Jadhav; Hosahudya Gopi","alpha/gamma^4^-hybrid peptide helices: synthesis, crystal conformations and analogy with the alpha-helix","Chem.Commun.","2012","48","","7170","","10.1039/c2cc32911e","","x-ray","0.71073","MoKα","","0.2236","0.0826","","","0.1896","0.2378","","","","","","0.794","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107984","6.0186","0.001","11.5512","0.0018","24.941","0.004","90","","90","","90","","1733.9","0.5","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O2 S Si -","- C17 H23 N O2 S Si -","- C68 H92 N4 O8 S4 Si4 -","4","1","","Chungsik Kim; Tatsuya Uchida; Tsutomu Katsuki","Asymmetric olefin aziridination using a newly designed Ru(CO)(salen) complex as the catalyst","Chem.Commun.","2012","48","","7188","","10.1039/c2cc32997b","","","0.71073","MoKα","","0.0321","0.0281","","","0.0682","0.0698","","","","","","1.041","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7107988","5.8585","0.001","11.5282","0.0019","30.948","0.005","90","","90","","90","","2090.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C100 H88 N8 O8 S4 -","4","1","","Xiu-Qin Dong; Xin Fang; Hai-Yan Tao; Chun-Jiang Wang; Xiang Zhou","Organocatalytic asymmetric domino sulfa-Michael-aldol reactions of 2-mercaptobenzaldehyde with alpha,beta-unsaturated N-acylpyrazoles for the construction of thiochromane","Chem.Commun.","2012","48","","7238","","10.1039/c2cc31891a","","","0.71073","MoKα","","0.0515","0.0393","","","0.0853","0.091","","","","","","1.048","","","","has coordinates","180183","2020-10-21","18:00:00",""
"7108001","11.3108","0.0005","14.2805","0.0005","14.9742","0.0007","90","","90","","90","","2418.69","0.18","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 B2 Cl4 O2 P -","- C19 H31 B2 Cl4 O2 P -","- C76 H124 B8 Cl16 O8 P4 -","4","1","","Michael Sgro; Johannes Doemer; Douglas Stephan","Stoichiometric CO2 reductions using a bis-borane-based frustrated Lewis pair","Chem.Commun.","2012","48","","7253","","10.1039/c2cc33301e","","","0.71073","MoKα","","0.0934","0.0557","","","0.1079","0.1223","","","","","","0.99","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108068","12.9849","0.0003","20.5346","0.0004","21.2339","0.0004","90","","90","","90","","5661.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C60 H88 Cl2 N4 Si -","- C60 H88 Cl2 N4 Si -","- C240 H352 Cl8 N16 Si4 -","4","1","","Amit Pratap Singh; Rajendra S. Ghadwal; Herbert W. Roesky; Julian J. Holstein; Birger Dittrich; Jean-Philippe Demers; Veniamin Chevelkov; Adam Lange","Lewis base mediated dismutation of trichlorosilane","Chem.Commun.","2012","48","","7574","","10.1039/c2cc33835a","","","1.54178","CuKα","","0.0313","0.0309","","","","0.041","","","","","","3.905","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108106","8.911","0.004","9.919","0.004","24.452","0.011","90","","90","","90","","2161.3","1.6","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cl N2 O4 S -","- C21 H23 Cl N2 O4 S -","- C84 H92 Cl4 N8 O16 S4 -","4","1","","Kohsuke Ohmatsu; Ayano Goto; Takashi Ooi","Catalytic asymmetric Mannich-type reactions of alpha-cyano alpha-sulfonyl carbanions","Chem.Commun.","2012","48","","7913","","10.1039/c2cc32398b","","","0.71073","MoKα","","0.0339","0.0329","","","0.0844","0.0852","","","","","","1.074","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108119","8.8717","0.0001","11.6178","0.0001","18.2118","0.0002","90","","90","","90","","1877.08","0.03","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","zhao1785","","","- C12 H34 B2 N2 O6 -","- C12 H34 B2 N2 O6 -","- C48 H136 B8 N8 O24 -","4","1","","Xuenian Chen; Judith Gallucci; Charles Campana; Zhenguo Huang; Hima Kumar Lingam; Sheldon G. Shore; Ji-Cheng Zhao","Anti and gauche conformers of an inorganic butane analogue, NH3BH2NH2BH3","Chem.Commun.","2012","48","","7943","","10.1039/c2cc33621a","","x-ray","0.71073","MoKα","","0.037","0.0314","","","0.0799","0.0832","","","","","","1.032","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108120","8.3112","0.0001","13.0955","0.0002","16.7666","0.0003","90","","90","","90","","1824.87","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","zhao1786","","","- C12 H34 B2 N2 O6 -","- C12 H34 B2 N2 O6 -","- C48 H136 B8 N8 O24 -","4","1","","Xuenian Chen; Judith Gallucci; Charles Campana; Zhenguo Huang; Hima Kumar Lingam; Sheldon G. Shore; Ji-Cheng Zhao","Anti and gauche conformers of an inorganic butane analogue, NH3BH2NH2BH3","Chem.Commun.","2012","48","","7943","","10.1039/c2cc33621a","","x-ray","0.71073","MoKα","","0.0631","0.0356","","","0.0656","0.072","","","","","","1.006","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7108214","3.971","0.003","11.487","0.009","25.411","0.019","90","","90","","90","","1159.1","1.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 N S4 -","- C11 H7 N S4 -","- C44 H28 N4 S16 -","4","1","","Sang Chul Lee; Akira Ueda; Hiromichi Kamo; Kazuyuki Takahashi; Mikio Uruichi; Kaoru Yamamoto; Kyuya Yakushi; Akiko Nakao; Reiji Kumai; Kensuke Kobayashi; Hironori Nakao; Youichi Murakami; Hatsumi Mori","Charge-order driven proton arrangement in a hydrogen-bonded charge-transfer complex based on a pyridyl-substituted TTF derivative","Chem.Commun.","2012","48","","8673","","10.1039/c2cc34296k","","","0.71075","MoKα","","","0.0609","","","","0.1072","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108216","10.2839","0.0004","15.4819","0.0006","15.8271","0.0005","90","","90","","90","","2519.9","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N3 O6 -","- C27 H23 N3 O6 -","- C108 H92 N12 O24 -","4","1","","Xiao-nan Zhang; Hong-Ping Deng; Long Huang; Yin Wei; Min Shi","Phosphine-catalyzed asymmetric [4+1] annulation of Morita-Baylis-Hillman carbonates with dicyano-2-methylenebut-3-enoates","Chem.Commun.","2012","48","","8664","","10.1039/c2cc34619b","","","1.54178","CuKα","","0.0406","0.0404","","","0.1134","0.1139","","","","","","1.038","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108226","12.456","0.004","16.127","0.005","20.503","0.007","90","","90","","90","","4119","2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54.5 H33 Cl N2 -","- C54.5 H33 Cl N2 -","- C218 H132 Cl4 N8 -","4","1","","Remi Chauvin; Arnaud Rives; Iaroslav Baglai; Volodymyr Malytskyi; Valerie Maraval; Nathalie Saffon; Zoia Voitenko","Highly pi electron-rich macro-aromatics: bis(p-aminophenyl)-carbo-benzenes and their DBA acyclic references","Chem.Commun.","2012","48","","8763","","10.1039/c2cc34176j","","","0.71073","MoKα","","0.289","0.0792","","","0.1564","0.2387","","","","","","0.96","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108234","7.894","0.0007","10.947","0.0009","19.78","0.0016","90","","90","","90","","1709.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C15 H20 N2 O5 S -","- C15 H20 N2 O5 S -","- C60 H80 N8 O20 S4 -","4","1","","Gowri Priya; Amol Kotmale; Rupesh Gawade; Deepti Mishra; Sourav Pal; Vedavati Puranik; Pattuparambil Rajamohanan; Gangadhar J.Sanjayan","Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding","Chem.Commun.","2012","48","","8922","","10.1039/c2cc33235c","","","0.71073","MoKα","","0.0539","0.0436","","","0.0826","0.0859","","","","","","0.94","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108235","11.077","0.001","16.02","0.002","17.325","0.002","90","","90","","90","","3074.4","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C27 H34 N4 O7 S2 -","- C27 H34 N4 O7 S2 -","- C108 H136 N16 O28 S8 -","4","1","","Gowri Priya; Amol Kotmale; Rupesh Gawade; Deepti Mishra; Sourav Pal; Vedavati Puranik; Pattuparambil Rajamohanan; Gangadhar J.Sanjayan","Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding","Chem.Commun.","2012","48","","8922","","10.1039/c2cc33235c","","","0.71073","MoKα","","0.0715","0.0586","","","0.1467","0.1546","","","","","","1.053","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108237","9.3121","0.0009","17.991","0.002","18.154","0.002","90","","90","","90","","3041.4","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C29 H39 N5 O5 S2 -","- C29 H38.4 N5 O5 S2 -","- C116 H153.6 N20 O20 S8 -","4","1","","Gowri Priya; Amol Kotmale; Rupesh Gawade; Deepti Mishra; Sourav Pal; Vedavati Puranik; Pattuparambil Rajamohanan; Gangadhar J.Sanjayan","Helical folding in heterogeneous foldamers without inter-residual backbone hydrogen-bonding","Chem.Commun.","2012","48","","8922","","10.1039/c2cc33235c","","","0.71073","MoKα","","0.0371","0.0317","","","0.0766","0.0802","","","","","","0.97","","","","has coordinates,has disorder","180186","2020-10-21","18:00:00",""
"7108240","7.7341","0.0004","8.49","0.0005","20.9282","0.0011","90","","90","","90","","1374.2","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C52 H76 N4 O16 -","4","1","","Wanfang Li; Weizheng Fan; Xin Ma; Xiaoming Tao; Xiaoming Li; Xiaomin Xie; Zhaoguo Zhang","Ru-catalyzed hydrogenation of 3,5-diketo amides: simultaneous control of chemo- and enantioselectivity","Chemical Communications","2012","48","","8976","","10.1039/c2cc33695b","","","1.54178","CuKα","","0.0411","0.0406","","","0.1142","0.115","","","","","","1.062","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108276","11.6191","0.0011","14.5312","0.0014","17.022","0.0016","90","","90","","90","","2874","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 F3 N2 O3 S -","- C29 H33 F3 N2 O3 S -","- C116 H132 F12 N8 O12 S4 -","4","1","","Jun Zhang; Xiaolong Su; Jun Fu; Xinke Qin; Meixin Zhao; Min Shi","Tailor-made synthesis of various backbone-substituted imidazolinium salts by triflic anhydride mediated intramolecular cyclisation","Chem.Commun.","2012","48","","9192","","10.1039/c2cc34952c","","","0.71073","MoKα","","0.1654","0.0858","","","0.228","0.2978","","","","","","1.031","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108277","11.5154","0.0005","14.5123","0.0006","17.4192","0.0007","90","","90","","90","","2911","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 F3 N2 O3 S -","- C30 H35 F3 N2 O3 S -","- C120 H140 F12 N8 O12 S4 -","4","1","","Jun Zhang; Xiaolong Su; Jun Fu; Xinke Qin; Meixin Zhao; Min Shi","Tailor-made synthesis of various backbone-substituted imidazolinium salts by triflic anhydride mediated intramolecular cyclisation","Chem.Commun.","2012","48","","9192","","10.1039/c2cc34952c","","","0.71073","MoKα","","0.1271","0.0797","","","0.2218","0.2624","","","","","","1.037","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108279","10.0291","0.001","15.1285","0.0015","15.5536","0.0015","90","","90","","90","","2359.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N2 S2 -","- C27 H28 N2 S2 -","- C108 H112 N8 S8 -","4","1","","Jun Zhang; Xiaolong Su; Jun Fu; Xinke Qin; Meixin Zhao; Min Shi","Tailor-made synthesis of various backbone-substituted imidazolinium salts by triflic anhydride mediated intramolecular cyclisation","Chem.Commun.","2012","48","","9192","","10.1039/c2cc34952c","","","0.71073","MoKα","","0.0347","0.0303","","","0.0804","0.0835","","","","","","1.034","","","","has coordinates","180186","2020-10-21","18:00:00",""
"7108320","9.8802","0.0012","10.1254","0.0015","14.573","0.002","90","","90","","90","","1457.9","0.3","100.2","","100.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Lei Liu; Hongli Ma; Yumei Xiao; Fengpei Du; Zhaohai Qin; Nan Li; Bin Fu","Highly enantioselective Friedel-Crafts alkylation of indoles and pyrrole with beta,gamma-unsaturated alpha-ketoesters catalyzed by heteroarylidene-tethered bis(oxazoline) copper complexes","Chem.Commun.","2012","48","","9281","","10.1039/c2cc34803a","","","1.5418","CuKα","","0.033","0.0322","","","0.084","0.0851","","","","","","1.035","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108339","12.1692","0.0003","16.6042","0.0004","30.194","0.0007","90","","90","","90","","6101","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 Al P2 -","- C30 H45 Al P2 -","- C240 H360 Al8 P16 -","8","2","","Steffi Roters; Alexander Hepp; J. Chris Slootweg; Koop Lammertsma; Werner Uhl","Alkynide and acetonitrile activation by strained AlPC2 heterocycles","Chem.Commun.","2012","48","","9616","","10.1039/c2cc33300g","","","1.54178","CuKα","","0.0671","0.0497","","","0.1176","0.1273","","","","","","1.052","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108361","7.5775","0.0007","11.0791","0.0011","16.7543","0.0017","90","","90","","90","","1406.6","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Br N2 O3 -","- C15 H11 Br N2 O3 -","- C60 H44 Br4 N8 O12 -","4","1","","Alejandro Parra; Ricardo Alfaro; Leyre Marzo; Alberto Moreno-Carrasco; Jose Luis Garcia Ruano; Jose Aleman","Enantioselective aza-Henry reactions of cyclic alpha-carbonyl ketimines under bifunctional catalysis","Chem.Commun.","2012","48","","9759","","10.1039/c2cc34053d","","","1.54178","CuKα","","0.0634","0.0423","","","0.0973","0.1372","","","","","","1.18","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108371","9.338","0.0006","13.9088","0.0009","15.438","0.001","90","","90","","90","","2005.1","0.2","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C19 H20 Br N3 O4 S -","- C19 H20 Br N3 O4 S -","- C76 H80 Br4 N12 O16 S4 -","4","1","","Kuruppanthara N. Vijayadas; Hilda C. Davis; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","An unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone","Chem.Commun.","2012","48","","9747","","10.1039/c2cc34533a","","","0.71073","MoKα","","0.0427","0.0352","","","0.081","0.085","","","","","","1.018","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108375","7.6518","0.0004","11.1273","0.0006","14.9119","0.0009","90","","90","","90","","1269.66","0.12","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C12 H16 N2 O4 S -","- C12 H16 N2 O4 S -","- C48 H64 N8 O16 S4 -","4","1","","Kuruppanthara N. Vijayadas; Hilda C. Davis; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","An unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone","Chem.Commun.","2012","48","","9747","","10.1039/c2cc34533a","","","0.71073","MoKα","","0.0263","0.0253","","","0.0664","0.0672","","","","","","1.094","","","","has coordinates","180187","2020-10-21","18:00:00",""
"7108424","9.6447","0.0007","10.8414","0.0008","18.1742","0.0014","90","","90","","90","","1900.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Jie-Ping Wan; Charles C. J. Loh; Fangfang Pan; Dieter Enders","Enantioselective organocatalytic domino synthesis of tetrahydropyridin-2-ols","Chem.Commun.","2012","48","","10049","","10.1039/c2cc35644a","","","0.71073","MoKα","","0.0504","0.042","","","0.0892","0.093","","","","","","0.997","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108445","7.5139","0.0003","11.1798","0.0005","15.9807","0.0007","90","","90","","90","","1342.44","0.1","293","1","293","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 N O3 -","- C6 H7 N O3 -","- C48 H56 N8 O24 -","8","2","","Christian Wiegand; Eberhardt Herdtweck; Thorsten Bach","Enantioselectivity in visible light-induced, singlet oxygen [2+4] cycloaddition reactions (type II photooxygenations) of 2-pyridones","Chem.Commun.","2012","48","","10195","","10.1039/c2cc35621j","","","1.5418","CuKα","","0.0288","0.0272","","","0.0778","0.0792","","","","","","1.042","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108462","7.1515","0.0013","10.698","0.002","24.15","0.004","90","","90","","90","","1847.6","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br2 O2 -","- C22 H18 Br2 O2 -","- C88 H72 Br8 O8 -","4","1","","Igor Magedov; Nikolai Evdokimov; Menuka Karki; Amanda Peretti; Dustin Lima; Lilia Frolova; Mary Reisenauer; Anntherese Romero; Paul Tongwa; Alexandr Fonari; Jeff Altig; Snezna Rogelj; Mikhail Antipin; Charles Shuster; Alexander Kornienko","Reengineered epipodophyllotoxin","Chem.Commun.","2012","48","","10416","","10.1039/c2cc35044k","","","0.71073","MoKα","","0.0299","0.0245","","","0.054","0.0558","","","","","","1.032","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108484","4.87323","0.00009","9.93425","0.00018","19.6468","0.0004","90","","90","","90","","951.14","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N7 O6 -","- C5 H7 N7 O6 -","- C20 H28 N28 O24 -","4","1","","Hiroko Mineki; Taichi Hanasaki; Arimasa Matsumoto; Tsuneomi Kawasaki; Kenso Soai","Asymmetric autocatalysis initiated by achiral nucleic acid base adenine: implications on the origin of homochirality of biomolecules","Chem.Commun.","2012","48","","10538","","10.1039/c2cc34928k","","","1.54187","CuKα","","","0.0241","","","","0.0737","","","","","","1.032","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108485","10.4079","0.0007","14.4988","0.001","27.679","0.002","90","","90","","90","","4176.8","0.5","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","bis((1,4,7,10,13,16-hexaoxacyclooctadecane)-potassium) di- bismuth-di-tin ammoniate","bis((1,4,7,10,13,16-hexaoxacyclooctadecane)-potassium) di-bismuth-di-tin ammoniate","","- C24 H54 Bi2 K2 N2 O12 Sn2 -","- C24 H51 Bi2 K2 N2 O12 Sn2 -","- C96 H204 Bi8 K8 N8 O48 Sn8 -","4","1","","Ute Friedrich; Maria Neumeier; Carina Koch; Nikolaus Korber","Synthesis of Heteroatomic Zintl Anions in Liquid Ammonia - the New Highly Charged [Sn~4~Bi~4~]^ 4‒^ and Fully Ordered [Sn~2~Bi~2~] ^2‒^","Chem.Commun.","2012","48","","10544","","10.1039/c2cc35380f","","","0.71073","MoKα","","0.0445","0.0352","","","0.0854","0.0887","","","","","","0.944","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108489","4.9468","0.0004","9.7236","0.0007","29.425","0.002","90","","90","","90","","1415.36","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl N3 O2 -","- C15 H14 Cl N3 O2 -","- C60 H56 Cl4 N12 O8 -","4","1","","Xin Su; Mart Lokov; Agnes Kutt; Ivo Leito; Ivan Aprahamian","Unusual para-substituent effects on the intramolecular hydrogen-bond in hydrazone-based switches","Chem.Commun.","2012","48","","10490","","10.1039/c2cc35860c","","x-ray","0.71073","MoKα","","0.0522","0.0441","","","0.1058","0.1124","","","","","","1.049","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108490","7.2194","0.0002","10.0881","0.0003","20.1172","0.0006","90","","90","","90","","1465.14","0.07","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Br N3 O2 -","- C15 H14 Br N3 O2 -","- C60 H56 Br4 N12 O8 -","4","1","","Xin Su; Mart Lokov; Agnes Kutt; Ivo Leito; Ivan Aprahamian","Unusual para-substituent effects on the intramolecular hydrogen-bond in hydrazone-based switches","Chem.Commun.","2012","48","","10490","","10.1039/c2cc35860c","","x-ray","0.71073","MoKα","","0.031","0.0247","","","0.0538","0.0556","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108492","8.7125","0.0006","11.9908","0.0006","22.8948","0.0013","90","","90","","90","","2391.8","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N2 O5 -","- C26 H21 Cl N2 O5 -","- C104 H84 Cl4 N8 O20 -","4","1","","Xin Xie; Cheng Peng; Gu He; Hai-Jun Leng; Biao Wang; Wei Huang; Bo Han","Asymmetric synthesis of a structurally and stereochemically complex spirooxindole pyran scaffold through an organocatalytic multicomponent cascade reaction","Chem.Commun.","2012","48","","10487","","10.1039/c2cc36011j","","","0.7107","MoKα","","0.1111","0.0697","","","0.1537","0.1862","","","","","","1.007","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108493","6.9973","0.0003","16.3475","0.0006","19.973","0.0008","90","","90","","90","","2284.68","0.16","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N2 O5 -","- C26 H21 Cl N2 O5 -","- C104 H84 Cl4 N8 O20 -","4","1","","Xin Xie; Cheng Peng; Gu He; Hai-Jun Leng; Biao Wang; Wei Huang; Bo Han","Asymmetric synthesis of a structurally and stereochemically complex spirooxindole pyran scaffold through an organocatalytic multicomponent cascade reaction","Chem.Commun.","2012","48","","10487","","10.1039/c2cc36011j","","","0.7107","MoKα","","0.0798","0.0485","","","0.0737","0.083","","","","","","1.015","","","","has coordinates","180188","2020-10-21","18:00:00",""
"7108521","7.4766","0.0015","8.0156","0.0016","36.105","0.007","90","","90","","90","","2163.8","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O3 S -","- C25 H23 N O3 S -","- C100 H92 N4 O12 S4 -","4","1","","Teng-Yue Jian; Li-Hui Sun; Song Ye","Highly enantioselective [4 + 2] cyclization of chloroaldehydes and 1-azadienes catalyzed by N-heterocyclic carbenes","Chem.Commun.","2012","48","","10907","","10.1039/c2cc35273g","","","0.71073","MoKα","","0.0464","0.0425","","","0.1017","0.1069","","","","","","1.067","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108526","13.503","0.0008","14.0714","0.0009","14.6794","0.0009","90","","90","","90","","2789.2","0.3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl2 N5 O13 V -","- C22 H29 Cl2 N5 O13 V -","- C88 H116 Cl8 N20 O52 V4 -","4","1","","Mads Sorensen Vad; Anders Lennartson; Anne Nielsen; Jeffrey Harmer; John E. McGrady; Cathrine Frandsen; Steen Morup; Christine J. McKenzie","An aqueous non-heme Fe(IV)oxo complex with a basic group in the second coordination sphere","Chem.Commun.","2012","48","","10880","","10.1039/c2cc35746a","","x-ray","0.71073","MoKα","","0.0348","0.0285","","","0.0646","0.0679","","","","","","1.025","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108549","5.695","0.0003","7.5345","0.0005","28.7029","0.0017","90","","90","","90","","1231.61","0.13","150","2","150","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Cl -","- C16 H13 Cl -","- C64 H52 Cl4 -","4","1","","Hubert Klein; Thierry Roisnel; Christian Bruneau; Sylvie Derien","One-step synthesis of 1-halo-1,3-butadienes via ruthenium-catalysed hydrohalogenative dimerisation of alkynes","Chem.Commun.","2012","48","","11032","","10.1039/c2cc36422k","","x-ray","0.71073","MoKα","","0.0397","0.0326","","","0.0738","0.077","","","","","","1.036","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108558","9.1556","0.0007","11.5676","0.001","24.164","0.002","90","","90","","90","","2559.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N O2 P S2 -","- C27 H26 N O2 P S2 -","- C108 H104 N4 O8 P4 S8 -","4","1","","Miao Huang; Chun Li; Jian Huang; Wei-Liang Duan; Sheng Xu","Palladium-catalyzed asymmetric addition of diarylphosphines to N-tosylimines","Chem.Commun.","2012","48","","11148","","10.1039/c2cc35563a","","","0.71073","MoKα","","0.0367","0.0337","","","0.0885","0.0912","","","","","","1.055","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108566","10.4632","0.0017","11.4185","0.0019","16.753","0.003","90","","90","","90","","2001.5","0.6","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C88 H96 N16 O16 -","4","1","","Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","Multifaceted folding in a foldamer featuring highly cooperative folds","Chem.Commun.","2012","48","","11205","","10.1039/c2cc35649j","","","0.71073","MoKα","","0.0354","0.034","","","0.0793","0.08","","","","","","1.117","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108567","10.4654","0.0008","11.4224","0.0009","16.7268","0.0013","90","","90","","90","","1999.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N4 O4 -","- C22 H24 N4 O4 -","- C88 H96 N16 O16 -","4","1","","Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","Multifaceted folding in a foldamer featuring highly cooperative folds","Chem.Commun.","2012","48","","11205","","10.1039/c2cc35649j","","","0.71073","MoKα","","0.0316","0.0308","","","0.07","0.0704","","","","","","1.114","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108569","7.564","0.003","15.725","0.007","18.913","0.008","90","","90","","90","","2249.6","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N4 O5 -","- C23 H26 N4 O5 -","- C92 H104 N16 O20 -","4","1","","Veera V. E. Ramesh; Gowri Priya; Amol S. Kotmale; Rajesh G. Gonnade; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","Multifaceted folding in a foldamer featuring highly cooperative folds","Chem.Commun.","2012","48","","11205","","10.1039/c2cc35649j","","","0.71073","MoKα","","0.0447","0.042","","","0.0871","0.0882","","","","","","1.19","","","","has coordinates","180189","2020-10-21","18:00:00",""
"7108609","8.689","0.0012","11.6597","0.0016","16.959","0.002","90","","90","","90","","1718.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N3 -","- C24 H17 N3 -","- C96 H68 N12 -","4","1","","Yongshu Xie; Yubin Ding; Xin Li; Cheng Wang; Jonathan P. Hill; Katsuhiko Ariga; Weibing Zhang; Weihong Zhu","Selective, sensitive and reversible 'turn-on' fluorescent cyanide probes based on 2,2'-dipyridylaminoanthracene-Cu^2+^ ensembles","Chem.Commun.","2012","48","","11513","","10.1039/c2cc36140j","","","0.71073","MoKα","","0.0446","0.0404","","","0.0937","0.0954","","","","","","1.13","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108616","10.3044","0.0005","10.665","0.0005","16.0642","0.0007","90","","90","","90","","1765.4","0.14","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Diethyl ((2R)-2-((S)-(tert-butylsulfinyl)amino)-3,3,3- trifluoropropyl)phosphonate","Diethyl {(2R)-2-[(S)-(tert-butylsulfinyl)amino]- 3,3,3-trifluoropropyl}phosphonate","","- C11 H23 F3 N O4 P S -","- C11 H23 F3 N O4 P S -","- C44 H92 F12 N4 O16 P4 S4 -","4","1","","Kostiantyn V. Turcheniuk; Kateryna O. Poliashko; Valery P. Kukhar; Alexander B. Rozhenko; Vadim A. Soloshonok; Alexander E. Sorochinsky","Efficient asymmetric synthesis of trifluoromethylated beta-aminophosphonates and their incorporation into dipeptides","Chem.Commun.","2012","48","","11519","","10.1039/c2cc36702e","","","0.71073","MoKα","","0.0882","0.0496","","","0.1084","0.1275","","","","","","1.017","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108690","12.3778","0.0017","16.212","0.002","19.398","0.003","90","","90","","90","","3892.6","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44.82 H38.45 Cl2 N4 Ni O0.82 -","- C44.816 H38.448 Cl2 N4 Ni O0.816 -","- C179.264 H153.792 Cl8 N16 Ni4 O3.264 -","4","1","","Eustina Batisai; Matteo Lusi; Tia Jacobs; Leonard J. Barbour","A mechanochemically synthesised solid solution enables engineering of the sorption properties of a Werner clathrate","Chem.Commun.","2012","48","","12171","","10.1039/c2cc37261d","","","0.71073","MoKα","","0.0593","0.0512","","","0.1071","0.1158","","","","","","1.174","","","","has coordinates,has disorder","180190","2020-10-21","18:00:00",""
"7108726","9.1005","0.0003","12.8251","0.0005","13.4859","0.0005","90","","90","","90","","1574","0.1","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O2 Si -","- C17 H24 O2 Si -","- C68 H96 O8 Si4 -","4","1","","Wei Chen; Jia-Hui Tay; Jun Ying; Michal Sabat; Xiao-Qi Yu; Lin Pu","A quick access to the spirotricyclic core analogue of mangicol A by a Rh(I)-catalyzed tandem Pauson-Khand/[4+2] cycloaddition","Chem.Commun.","2013","49","","170","","10.1039/c2cc37465j","","","0.71073","MoKα","","0.0308","0.0283","","","0.0955","0.1","","","","","","0.874","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108727","5.7877","0.0006","15.8468","0.0017","20.507","0.002","90","","90","","90","","1880.8","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Br O2 -","- C24 H19 Br O2 -","- C96 H76 Br4 O8 -","4","1","","Zhenqian Fu; Hui Sun; Shaojin Chen; Bhoopendra Tiwari; Guohui Li; Yonggui Robin Chi","Controlled beta-protonation and [4+2] cycloaddition of enals and chalcones via N-heterocyclic carbene/acid catalysis: toward substrate independent reaction control","Chem.Commun.","2013","49","","261","","10.1039/c2cc36564b","","","0.71073","MoKα","","0.07","0.0479","","","0.1028","0.143","","","","","","1.075","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108766","10.902","0.003","14.769","0.003","17.363","0.005","90","","90","","90","","2795.6","1.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 N2 Ni S2 -","- C32 H36 N2 Ni S2 -","- C128 H144 N8 Ni4 S8 -","4","1","","Tatsuya Kawamoto; Narumi Suzuki; Takeshi Ono; Dafei Gong; Takumi Konno","Chirality transfer based on reversible C-C bond formation/breaking in nickel(II) complexes","Chem.Commun.","2013","49","","668","","10.1039/c2cc36332a","","","0.71075","MoKα","","0.2704","0.0772","","","0.075","0.1119","","","","","","0.919","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108767","11.963","0.003","12.171","0.004","19.72","0.006","90","","90","","90","","2871.3","1.5","200.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 N2 Ni S2 -","- C32 H36 N2 Ni S2 -","- C128 H144 N8 Ni4 S8 -","4","1","","Tatsuya Kawamoto; Narumi Suzuki; Takeshi Ono; Dafei Gong; Takumi Konno","Chirality transfer based on reversible C-C bond formation/breaking in nickel(II) complexes","Chem.Commun.","2013","49","","668","","10.1039/c2cc36332a","","","0.71075","MoKα","","","0.0432","","","","0.0934","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108783","9.6899","0.001","10.8171","0.0012","19.58","0.002","90","","90","","90","","2052.3","0.4","228","2","228","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Cl F3 N2 O5 P -","- C19 H19 Cl F3 N2 O5 P -","- C76 H76 Cl4 F12 N8 O20 P4 -","4","1","","Hexin Xie; Aiguo Song; Xinshuai Zhang; Xiaobei Chen; Hao Li; Chunquan Sheng; Wei Wang","Quinine-thiourea catalyzed enantioselective hydrophosphonylation of trifluoromethyl 2(1H)-quinazolinones","Chem.Commun.","2012","49","","928","","10.1039/c2cc38097h","","","0.71073","MoKα","","0.0315","0.0275","","","0.0746","0.0774","","","","","","1.057","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108821","9.1158","0.0001","12.797","0.0002","23.0938","0.0003","90","","90","","90","","2694","0.06","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O6 -","- C29 H44 O6 -","- C116 H176 O24 -","4","1","","Bo Li; De-Yun Kong; Yun-Heng Shen; Ka-Li Fu; Rong-Cai Yue; Zhu-Zhen Han; Hu Yuan; Qing-Xin Liu; Lei Shan; Hui-Liang Li; Xian-Wen Yang; Wei-Dong Zhang","Pseudolarenone, an unusual nortriterpenoid lactone with a fused 5/11/5/6/5 ring system featuring an unprecedented bicyclo[8.2.1]tridecane core from Pseudolarix amabilis","Chemical communications (Cambridge, England)","2013","49","12","1187","1189","10.1039/c2cc37742j","","","1.54178","CuKα","","0.0316","0.0311","","","0.0805","0.0812","","","","","","1.07","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108824","6.941","0.003","11.055","0.004","22.261","0.008","90","","90","","90","","1708.1","1.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Br O5 -","- C17 H19 Br O5 -","- C68 H76 Br4 O20 -","4","1","","Wei Wang; Junfeng Wang; Shuo Zhou; Qi Sun; Zemei Ge; Xin Wang; Runtao Li","An efficient organocatalytic enantioselective Michael addition of aryl methyl ketones with 2-furanones: highly functionalized chiral 3,4-substituted lactones","Chemical communications (Cambridge, England)","2013","49","13","1333","1335","10.1039/c2cc35488h","","","1.54178","CuKα","","0.0378","0.0347","","","0.0863","0.0894","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108837","9.3474","0.0011","11.7017","0.0018","28.722","0.003","90","","90","","90","","3141.6","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 N2 O3 S -","- C36 H40 N2 O3 S -","- C144 H160 N8 O12 S4 -","4","1","","Diao Chen; Ming-Hua Xu","Zn-mediated asymmetric allylation of N-tert-butanesulfinyl ketimines: an efficient and practical access to chiral quaternary 3-aminooxindoles","Chemical communications (Cambridge, England)","2013","49","13","1327","1329","10.1039/c2cc38600c","","","0.71073","MoKα","","0.0782","0.0685","","","0.1802","0.1865","","","","","","1.116","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108864","8.0892","0.0003","18.1126","0.0016","19.1621","0.0007","90","","90","","90","","2807.6","0.3","293.04","0.1","293.04","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 N4 O2 S -","- C34 H28 N4 O2 S -","- C136 H112 N16 O8 S4 -","4","1","","Qiao Chen; Jinyan Liang; Shoulei Wang; Dong Wang; Rui Wang","An asymmetric approach toward chiral multicyclic spirooxindoles from isothiocyanato oxindoles and unsaturated pyrazolones by a chiral tertiary amine thiourea catalyst","Chemical communications (Cambridge, England)","2013","49","16","1657","1659","10.1039/c3cc38386e","","","0.7107","MoKα","","0.0575","0.0464","","","0.0949","0.1028","","","","","","1.094","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108866","4.8275","0.0001","15.9086","0.0003","16.116","0.0004","90","","90","","90","","1237.69","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 N4 S4 -","- C11 H7 N4 S4 -","- C44 H28 N16 S16 -","4","1","","Stephen M. Winter; Aidin R. Balo; Ryan J. Roberts; Kristina Lekin; Abdeljalil Assoud; Paul A. Dube; Richard T. Oakley","Hybrid dithiazolothiadiazinyl radicals; versatile building blocks for magnetic and conductive materials","Chemical communications (Cambridge, England)","2013","49","16","1603","1605","10.1039/c3cc38503e","","","1.54178","CuKα","","0.0729","0.0703","","","0.1815","0.1844","","","","","","1.062","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108878","12.8019","0.0002","20.4511","0.0004","27.5592","0.0005","90","","90","","90","","7215.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit(6)uril/adrenaline inclusion complex","","","- C54 H94 Cl2 N26 O33 -","- C54 H68 Cl2 N26 O32.78 -","- C216 H272 Cl8 N104 O131.12 -","4","1","","Oksana Danylyuk; Vladimir P. Fedin; Volodymyr Sashuk","Kinetic trapping of the host-guest association intermediate and its transformation into a thermodynamic inclusion complex","Chemical communications (Cambridge, England)","2013","49","18","1859","1861","10.1039/c3cc37868c","","","0.71073","MoKα","","0.0837","0.0783","","","0.1925","0.1981","","","","","","1.11","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108879","12.6226","0.0002","15.7655","0.0003","31.0112","0.0006","90","","90","","90","","6171.28","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit(6)uril/adrenaline exclusion complex","","","- C45 H78 Cl N25 O29 -","- C45 H70.812 Cl N25 O29 -","- C180 H283.248 Cl4 N100 O116 -","4","1","","Oksana Danylyuk; Vladimir P. Fedin; Volodymyr Sashuk","Kinetic trapping of the host-guest association intermediate and its transformation into a thermodynamic inclusion complex","Chemical communications (Cambridge, England)","2013","49","18","1859","1861","10.1039/c3cc37868c","","","0.71073","MoKα","","0.1164","0.0807","","","0.1748","0.1918","","","","","","1.027","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108897","7.49","0.003","16.436","0.018","17.817","0.011","90","","90","","90","","2193","3","294","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O5 S -","- C24 H26 N2 O5 S -","- C96 H104 N8 O20 S4 -","4","1","","Mercedes Amat; Carlos Ramos; Maria Perez; Elies Molins; Pedro Florindo; Maria M. M. Santos; Joan Bosch","Enantioselective formal synthesis of ent-rhynchophylline and ent-isorhynchophylline","Chemical communications (Cambridge, England)","2013","49","19","1954","1956","10.1039/c2cc38540f","","x-ray","0.71073","MoKα","","0.2321","0.0737","","","0.1141","0.1463","","","","","","0.859","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108903","5.925","0.0004","10.9299","0.0007","22.928","0.0019","90","","90","","90","","1484.81","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 B N2 -","- C16 H21 B N2 -","- C64 H84 B4 N8 -","4","1","","Peter Bellham; Michael S. Hill; Gabriele Kociok-Kohn; David J. Liptrot","Bespoke synthesis of unsymmetrical diaminoboranes by alkaline earth catalysis","Chemical communications (Cambridge, England)","2013","49","19","1960","1962","10.1039/c3cc39072a","","","0.71073","MoKα","","0.0939","0.0581","","","0.1124","0.1261","","","","","","1.052","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108905","9.005","0.0011","12.3558","0.0014","28.675","0.003","90","","90","","90","","3190.5","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CJ143","","","- C18 H12 Br N O3 -","- C18 H12 Br N O3 -","- C144 H96 Br8 N8 O24 -","8","2","","Carlos Jarava-Barrera; Francisco Esteban; Carmen Navarro-Ranninger; Alejandro Parra; Jose Aleman","Asymmetric synthesis of trans-dihydroarylfurans in a Friedel-Crafts/substitution domino reaction under squaramide catalysis","Chemical communications (Cambridge, England)","2013","49","20","2001","2003","10.1039/c2cc38534a","","","0.71073","","","0.0761","0.0437","","","0.1027","0.1279","","","","","","1.051","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108912","8.7662","0.0006","11.1969","0.0007","16.9395","0.0012","90","","90","","90","","1662.68","0.19","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 F6 N P -","- C15 H18 F6 N P -","- C60 H72 F24 N4 P4 -","4","1","","Shunsuke Kuwahara; Rie Chamura; Sho Tsuchiya; Mari Ikeda; Yoichi Habata","Chirality transcription and amplification by [2]pseudorotaxanes","Chemical communications (Cambridge, England)","2013","49","22","2186","2188","10.1039/c2cc38758a","","","0.71073","MoKα","","0.0757","0.0508","","","0.1305","0.1501","","","","","","1.017","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108917","12.59","0.004","13.054","0.004","24.189","0.008","90","","90","","90","","3975","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H51 Mn N2 Nd O12 -","- C40 H51 Mn N2 Nd O12 -","- C160 H204 Mn4 N8 Nd4 O48 -","4","1","","Dong-Bin Dang; Bing An; Yan Bai; Guang-Shui Zheng; Jing-Yang Niu","Three-dimensional homochiral manganese-lanthanide frameworks based on chiral camphorates with multi-coordination modes","Chemical communications (Cambridge, England)","2013","49","22","2243","2245","10.1039/c3cc37680j","","","0.71073","MoKα","","0.0436","0.0356","","","0.0779","0.0804","","","","","","1.044","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108918","12.547","0.007","12.979","0.007","24.368","0.013","90","","90","","90","","3968","4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H51 Dy Mn N2 O12 -","- C40 H50 Dy Mn N2 O12 -","- C160 H200 Dy4 Mn4 N8 O48 -","4","1","","Dong-Bin Dang; Bing An; Yan Bai; Guang-Shui Zheng; Jing-Yang Niu","Three-dimensional homochiral manganese-lanthanide frameworks based on chiral camphorates with multi-coordination modes","Chemical communications (Cambridge, England)","2013","49","22","2243","2245","10.1039/c3cc37680j","","","0.71073","MoKα","","0.2223","0.0797","","","0.0901","0.1063","","","","","","0.96","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108919","12.6092","0.0013","13.0311","0.0012","24.203","0.002","90","","90","","90","","3976.8","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H51 Eu Mn N2 O12 -","- C40 H50 Eu Mn N2 O12 -","- C160 H200 Eu4 Mn4 N8 O48 -","4","1","","Dong-Bin Dang; Bing An; Yan Bai; Guang-Shui Zheng; Jing-Yang Niu","Three-dimensional homochiral manganese-lanthanide frameworks based on chiral camphorates with multi-coordination modes","Chemical communications (Cambridge, England)","2013","49","22","2243","2245","10.1039/c3cc37680j","","","0.71073","MoKα","","0.0571","0.0431","","","0.0962","0.1018","","","","","","1.034","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108920","12.6554","0.0015","13.1165","0.0016","24.358","0.003","90","","90","","90","","4043.3","0.8","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H51 La Mn N2 O12 -","- C40 H50 La Mn N2 O12 -","- C160 H200 La4 Mn4 N8 O48 -","4","1","","Dong-Bin Dang; Bing An; Yan Bai; Guang-Shui Zheng; Jing-Yang Niu","Three-dimensional homochiral manganese-lanthanide frameworks based on chiral camphorates with multi-coordination modes","Chemical communications (Cambridge, England)","2013","49","22","2243","2245","10.1039/c3cc37680j","","","0.71073","MoKα","","0.0594","0.0461","","","0.1022","0.1074","","","","","","1.024","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108936","17.1841","0.0009","12.4648","0.0007","6.7661","0.0004","90","","90","","90","","1449.27","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C68 H52 N20 O8 -","4","1","","Ahn, Jinho; Park, Sunhong; Lee, Ji Ha; Jung, Sung Ho; Moon, Seung-Jin; Jung, Jong Hwa","Fluorescent hydrogels formed by CH-π and π-π interactions as the main driving forces: an approach toward understanding the relationship between fluorescence and structure","Chemical Communications (Cambridge, United Kingdom)","2013","49","21","2109","2111","10.1039/c2cc37249e","","","0.71073","MoKα","","0.0817","0.0718","","","0.1438","0.1478","","","","","","1.215","","","","has coordinates","210827","2020-10-21","18:00:00",""
"7108968","9.9402","0.0002","15.3605","0.0002","21.5569","0.0003","90","","90","","90","","3291.45","0.09","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 N5 O3 Re -","- C32 H46 N5 O3 Re -","- C128 H184 N20 O12 Re4 -","4","1","","Larry Tso-Lun Lo; Sze-Wing Lai; Shek-Man Yiu; Chi-Chiu Ko","A new class of highly solvatochromic dicyano rhenate(I) diimine complexes ‒ synthesis, photophysics and photocatalysis","Chem.Commun.","2013","49","","2311","","10.1039/c3cc39189b","","","1.5418","CuKα","","0.0299","0.0297","","","0.0844","0.0847","","","","","","1.078","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108999","8.9951","0.0009","13.0144","0.0012","27.752","0.002","90","","90","","90","","3248.8","0.5","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","PEPSEQ A=5 PHE-GLY-ALA-PHE*-LEU","Phenyl-Glycyl-Alanyl-(α,β-dehydrophenylalanyl)-Leucine dihydrate","","- C29 H41 N5 O8 -","- C29 H37 N5 O8 -","- C116 H148 N20 O32 -","4","1","","Aseem Mishra; Anurag Misra; T. Sri Vaishnavi; Chaitanya Thota; Madhvi Gupta; Suryanarayanarao Ramakumar; Virander Singh Chauhan","Conformationally restricted short peptides inhibit human islet amyloid polypeptide (hIAPP) fibrillization","Chem.Commun.","2013","49","","2688","","10.1039/c3cc38982k","","x-ray","0.71073","MoKα","","0.1356","0.0595","","","0.14","0.1825","","","","","","1.032","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7109008","9.139","0.002","9.953","0.002","26.516","0.007","90","","90","","90","","2411.9","1","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O2 P2 Se4 -","- C22 H22 O2 P2 Se4 -","- C88 H88 O8 P8 Se16 -","4","1","","Guoxiong Hua; Alexandra M. Z. Slawin; Rebecca A. M. Randall; David B. Cordes; Luke Crawford; Michael Buhl; J. Derek Woollins","An efficient route for the synthesis of phosphorus-selenium macro-heterocycles","Chem.Commun.","2013","49","","2619","","10.1039/c3cc40515j","","","0.71073","MoKα","","0.0281","0.0274","","","0.0628","0.0632","","","","","","1.119","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109017","5.5633","0.0002","18.1464","0.0005","18.1598","0.0005","90","","90","","90","","1833.3","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl N O5 -","- C19 H20 Cl N O5 -","- C76 H80 Cl4 N4 O20 -","4","1","","Yu Qian; Changcheng Jing; Shunying Liu; Wenhao Hu","A highly enantioselective four-component reaction for the efficient construction of chiral beta-hydroxy-alpha-amino acid derivatives","Chem.Commun.","2013","49","","2700","","10.1039/c3cc40546j","","","0.71073","MoKα","","0.0339","0.0326","","","0.0923","0.0943","","","","","","1.058","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109075","5.9409","0.0006","10.8264","0.0012","25.9","0.003","90","","90","","90","","1665.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br O2 -","- C21 H15 Br O2 -","- C84 H60 Br4 O8 -","4","1","","Feijun Wang; Feng Chen; Mingliang Qu; Teng Li; Yunlong Liu; Min Shi","A Pd(II)-catalyzed asymmetric approach toward chiral [3.3.1]-bicyclic ketals using 2-hydroxyphenylboronic acid as a pro-bis(nucleophile)","Chem.Commun.","2013","49","","3360","","10.1039/c3cc00295k","","","0.71073","MoKα","","0.0517","0.0422","","","0.0951","0.0994","","","","","","1.009","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109079","6.7242","0.0003","15.1813","0.0007","19.2667","0.001","90","","90","","90","","1966.79","0.16","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 -","- C20 H35 N O3 -","- C80 H140 N4 O12 -","4","1","","Satish Chandra Philkhana; B. Seetharamsingh; Yuvraj B. Dangat; Kumar Vanka; D. Srinivasa Reddy","Synthesis of palmyrolide A and its cis-isomer and mechanistic insight into trans-cis isomerisation of the enamide macrocycle","Chem.Commun.","2013","49","","3342","","10.1039/c3cc40541a","","","0.71073","MoKα","","0.0379","0.0337","","","0.0761","0.0784","","","","","","1.049","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109104","6.39013","0.00018","16.4094","0.0005","20.8853","0.0006","90","","90","","90","","2189.99","0.11","292.19","0.1","292.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl N2 O5 -","- C23 H21 Cl N2 O5 -","- C92 H84 Cl4 N8 O20 -","4","1","","Long Wang; Xiao-Mei Shi; Wei-Ping Dong; Li-Ping Zhu; Rui Wang","Efficient construction of highly functionalized spiro[gamma-butyrolactone-pyrrolidin-3,3'-oxindole] tricyclic skeletons via an organocatalytic 1,3-dipolar cycloaddition","Chem.Commun.","2013","49","","3458","","10.1039/c3cc40669e","","","0.7107","MoKα","","0.075","0.0563","","","0.1358","0.1508","","","","","","1.065","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109112","11.0997","0.0008","12.1213","0.0007","19.413","0.0012","90","","90","","90","","2611.9","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N P Pt -","- C31 H36 N P Pt -","- C124 H144 N4 P4 Pt4 -","4","1","","Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes","Chem.Commun.","2013","49","","3446","","10.1039/c3cc41079j","","","0.71073","MoKα","","0.0327","0.0292","","","0.0685","0.0706","","","","","","0.829","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109198","10.1055","0.0015","16.1466","0.0018","25.67","0.003","90","","90","","90","","4188.6","0.9","150","","150","","","","","","","","dichloromethane, pentane","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H56 F6 N4 O6 S3 -","- C32 H56 F6 N4 O6 S3 -","- C128 H224 F24 N16 O24 S12 -","4","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","MoKα","","0.0697","0.0557","","","0.1273","0.1369","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109222","5.2087","0.0002","10.6761","0.0004","31.3923","0.0011","90","","90","","90","","1745.68","0.11","173","0.14","173","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C80 H76 N4 O8 S4 -","4","1","","Hui Qian; Wanxiang Zhao; Herman H-Y. Sung; Ian D. Williams; Jianwei Sun","Stereoselective synthesis of aminoindanols via an efficient cascade aza-Michael-aldol reaction","Chem.Commun.","2013","49","","4361","","10.1039/c2cc37102b","","x-ray","1.5418","CuKα","","0.0412","0.0403","","","0.0922","0.093","","","","","","1.002","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109223","5.687","","10.6636","0.0001","29.8209","0.0002","90","","90","","90","","1808.46","0.02","173","0.14","173","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Hui Qian; Wanxiang Zhao; Herman H-Y. Sung; Ian D. Williams; Jianwei Sun","Stereoselective synthesis of aminoindanols via an efficient cascade aza-Michael-aldol reaction","Chem.Commun.","2013","49","","4361","","10.1039/c2cc37102b","","x-ray","1.5418","CuKα","","0.0255","0.0254","","","0.0682","0.0682","","","","","","1.006","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109229","10.5479","0.0001","12.7584","0.0001","19.3047","0.0002","90","","90","","90","","2597.92","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Cl O3 -","- C31 H39 Cl O3 -","- C124 H156 Cl4 O12 -","4","1","","Rebecca M. Maksymowicz; Philippe M. C. Roth; Amber L. Thompson; Stephen P. Fletcher","Hydrometallation-asymmetric conjugate addition: application to complex molecule synthesis","Chem.Commun.","2013","49","","4211","","10.1039/c2cc37155c","","","1.5418","CuKα","","0.0278","0.0274","","0.0752","0.0748","0.0752","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109261","5.9331","0.0005","7.4929","0.0007","46.754","0.003","90","","90","","90","","2078.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C96 H112 N8 O8 -","4","1","","Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini","Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6","Chem.Commun.","2013","49","","4468","","10.1039/c3cc41140k","","","0.71073","MoKα","","0.1538","0.0727","","","0.1503","0.1812","","","","","","1.028","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109276","5.6126","0.0003","16.8138","0.0009","25.1126","0.001","90","","90","","90","","2369.9","0.2","291.98","0.1","291.98","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br N5 O4 -","- C24 H22 Br N5 O4 -","- C96 H88 Br4 N20 O16 -","4","1","","Guo-Jian Duan; Jun-Bing Ling; Wei-Ping Wang; Yong-Chun Luo; Peng-Fei Xu","Organocatalytic formal [2+2] cycloaddition initiated by vinylogous Friedel-Crafts alkylation: enantioselective synthesis of substituted cyclobutane derivatives","Chem.Commun.","2013","49","","4625","","10.1039/c3cc41785a","","","0.7107","MoKα","","0.1492","0.0676","","","0.1525","0.2118","","","","","","0.928","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109288","15.9616","0.0004","20.3519","0.0006","30.5167","0.0008","90","","90","","90","","9913.3","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C79 H43 Al2 B2 Cl3 F72 Fe2 N2 O8 -","- C79 H43 Al2 B2 Cl3 F72 Fe2 N2 O8 -","- C316 H172 Al8 B8 Cl12 F288 Fe8 N8 O32 -","4","1","","Jiawei Chen; Roger A. Lalancette; Frieder Jakle","Synthesis and Lewis acid properties of a ferrocene-based planar-chiral borenium cation","Chem.Commun.","2013","49","","4893","","10.1039/c3cc41556b","","","1.54178","CuKα","","0.076","0.068","","","0.18","0.187","","","","","","1.02","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109302","14.8066","0.0006","21.8162","0.0009","26.1967","0.0011","90","","90","","90","","8462.2","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C103 H64 Cl8 O21 Si -","- C103 H64 Cl8 O21 Si -","- C412 H256 Cl32 O84 Si4 -","4","1","","Sebastiano Guerra; Franck Schillinger; David Sigwalt; Michel Holler; Jean-Francois Nierengarten","Synthesis of optically pure [60]fullerene e,e,e-tris adducts","Chem.Commun.","2013","49","","4752","","10.1039/c3cc41409d","","","1.54178","CuKα","","0.1237","0.12","","","0.3274","0.332","","","","","","1.546","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109332","11.591","0.0004","14.2637","0.0005","15.6726","0.0006","90","","90","","90","","2591.16","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H33 Cl6 Ga2 N3 Sn -","- C11 H33 Cl6 Ga2 N3 Sn -","- C44 H132 Cl24 Ga8 N12 Sn4 -","4","1","","Robert J. Wilson; Jason R. Jones; Miriam V. Bennett","Unprecedented gallium-nitrogen anions: synthesis and characterization of [(Cl3Ga)3N]^3-^ and [(Cl3Ga)2NSnMe3]^2-^","Chem.Commun.","2013","49","","5049","","10.1039/c3cc41897a","","x-ray","0.71073","MoKα","","0.0369","0.0267","","","0.0523","0.0551","","","","","","1.04","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109367","10.6632","0.0013","11.2585","0.0014","19.059","0.002","90","","90","","90","","2288.1","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Br N O3 S -","- C22 H26 Br N O3 S -","- C88 H104 Br4 N4 O12 S4 -","4","1","","Tao Guo; Ran Song; Bin-Hua Yuan; Xiao-Yang Chen; Xing-Wen Sun; Guo-Qiang Lin","Highly efficient asymmetric construction of quaternary carbon-containing homoallylic and homopropargylic amines","Chem.Commun.","2013","49","","5402","","10.1039/c3cc42481b","","","0.71073","MoKα","","0.0501","0.0324","","","0.0712","0.0787","","","","","","0.969","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109368","6.208","0.0009","14.513","0.002","19.432","0.003","90","","90","","90","","1750.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 N O3 S -","- C15 H27 N O3 S -","- C60 H108 N4 O12 S4 -","4","1","","Tao Guo; Ran Song; Bin-Hua Yuan; Xiao-Yang Chen; Xing-Wen Sun; Guo-Qiang Lin","Highly efficient asymmetric construction of quaternary carbon-containing homoallylic and homopropargylic amines","Chem.Commun.","2013","49","","5402","","10.1039/c3cc42481b","","","0.71073","MoKα","","0.0799","0.0444","","","0.0826","0.0976","","","","","","1.039","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109370","9.61","0.0014","11.5839","0.0017","12.0682","0.0018","90","","90","","90","","1343.4","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cl N O S -","- C12 H16 Cl N O S -","- C48 H64 Cl4 N4 O4 S4 -","4","1","","Tao Guo; Ran Song; Bin-Hua Yuan; Xiao-Yang Chen; Xing-Wen Sun; Guo-Qiang Lin","Highly efficient asymmetric construction of quaternary carbon-containing homoallylic and homopropargylic amines","Chem.Commun.","2013","49","","5402","","10.1039/c3cc42481b","","","0.71073","MoKα","","0.037","0.0304","","","0.0745","0.0782","","","","","","1.069","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109374","11.8317","0.0019","11.9035","0.0019","20.77","0.003","90","","90","","90","","2925.2","0.8","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 Cl F6 Ir N3 P -","- C25 H40 Cl F6 Ir N3 P -","- C100 H160 Cl4 F24 Ir4 N12 P4 -","4","1","","Hannes Buhl; Christian Ganter","Tuning the electronic properties of an N-heterocyclic carbene by charge and mesomeric effects","Chem.Commun.","2013","49","","5417","","10.1039/c3cc42547a","","","0.71073","MoKα","","0.02","0.0184","","","0.0401","0.0405","","","","","","0.991","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109398","6.0887","0.0001","18.7001","0.0001","19.5479","0.0001","90","","90","","90","","2225.71","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 N4 O5 -","- C27 H22 N4 O5 -","- C108 H88 N16 O20 -","4","1","","Zhi-Jun Ji; Kun Jiang; Qing-Qing Zhou; Lin Dong; Ying-Chun Chen","Amine-N-heterocyclic carbene cascade catalysis for the asymmetric synthesis of fused indane derivatives with multiple chiral centres","Chem.Commun.","2013","49","","5892","","10.1039/c3cc42823k","","","1.54184","CuKα","","0.0258","0.0256","","","0.0669","0.0672","","","","","","1.069","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109419","8.8678","0.0009","9.3161","0.0009","24.972","0.003","90","","90","","90","","2063","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C96 H80 N8 O8 S4 -","4","1","","Lu Yao; Kang Liu; Hai-Yan Tao; Guo-Fu Qiu; Xiang Zhou; Chun-Jiang Wang","Organocatalytic asymmetric desymmetrization: efficient construction of spirocyclic oxindoles bearing a unique all-carbon quaternary stereogenic center via sulfa-Michael addition","Chem.Commun.","2013","49","","6078","","10.1039/c3cc42587h","","","0.71073","MoKα","","0.0487","0.0363","","","0.0782","0.0851","","","","","","1.016","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109468","10.1424","0.0012","10.9573","0.0013","19.058","0.002","90","","90","","90","","2118","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl F3 N2 O3 -","- C20 H20 Cl F3 N2 O3 -","- C80 H80 Cl4 F12 N8 O12 -","4","1","","Qing-Hua Li; Liang Wei; Xuan Chen; Chun-Jiang Wang","Asymmetric construction of fluorinated imidazolidines via Cu(I)-catalyzed exo'-selective 1,3-dipolar cycloaddition of azomethine ylides with fluorinated imines","Chem.Commun.","2013","49","","6277","","10.1039/c3cc43025a","","","0.71073","MoKα","","0.0349","0.033","","","0.0865","0.0885","","","","","","1.028","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109476","11.284","0.003","14.658","0.003","27.222","0.007","90","","90","","90","","4502.5","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O3 Si -","- C24 H27 N O3 Si -","- C192 H216 N8 O24 Si8 -","8","2","","Hongzhi Yang; Juan Feng; Yefeng Tang","Biomimetic total syntheses of spirobacillenes A and B","Chem.Commun.","2013","49","","6442","","10.1039/c3cc42686f","","","0.71073","MoKα","","0.0594","0.0575","","","0.1275","0.1284","","","","","","1.274","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109497","9.355","0.005","14.083","0.008","24.255","0.013","90","","90","","90","","3196","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 Cl3 Ir N3 O2 -","- C35 H31 Cl3 Ir N3 O2 -","- C140 H124 Cl12 Ir4 N12 O8 -","4","1","","David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos","Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes","Chem.Commun.","2013","49","","6546","","10.1039/c3cc43121e","","","0.71073","MoKα","","0.039","0.0348","","","0.0676","0.0688","","","","","","1.024","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109498","8.794","0.004","11.361","0.005","29.429","0.012","90","","90","","90","","2940","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Ir N5 O2 -","- C34 H32 Ir N5 O2 -","- C136 H128 Ir4 N20 O8 -","4","1","","David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos","Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes","Chem.Commun.","2013","49","","6546","","10.1039/c3cc43121e","","","0.71073","MoKα","","0.0602","0.0457","","","0.066","0.0696","","","","","","0.869","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109501","8.179","0.0018","12.986","0.003","27.068","0.006","90","","90","","90","","2875","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H30 Ir N3 O -","- C37 H30 Ir N3 O -","- C148 H120 Ir4 N12 O4 -","4","1","","David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos","Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes","Chem.Commun.","2013","49","","6546","","10.1039/c3cc43121e","","","0.71073","MoKα","","0.0288","0.0239","","","0.0498","0.0511","","","","","","1","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7109502","9.541","0.002","12.508","0.003","28.06","0.007","90","","90","","90","","3348.6","1.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39.5 H40 Ir N3 O3.5 -","- C39.5 H40 Ir N3 O3.5 -","- C158 H160 Ir4 N12 O14 -","4","1","","David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos","Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes","Chem.Commun.","2013","49","","6546","","10.1039/c3cc43121e","","","0.71073","MoKα","","0.0428","0.0398","","","0.0832","0.0841","","","","","","1.246","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7109527","9.93","0.002","11.163","0.003","24.219","0.006","90","","90","","90","","2684.6","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Br N3 O6 -","- C27 H28 Br N3 O6 -","- C108 H112 Br4 N12 O24 -","4","1","","Liang Hong; Ming Kai; Chongyang Wu; Wangsheng Sun; Gongming Zhu; Guofeng Li; Xiaojun Yao; Rui Wang","Enantioselective 1,3-dipolar cycloaddition of methyleneindolinones and N,N'-cyclic azomethine imines","Chem.Commun.","2013","49","","6713","","10.1039/c3cc41507d","","","0.71073","MoKα","","0.0439","0.0356","","","0.088","0.0923","","","","","","1.051","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109564","9.33249","0.0001","15.31121","0.00015","20.0967","0.0002","90","","90","","90","","2871.65","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 B F4 N O2 -","- C31 H36 B F4 N O2 -","- C124 H144 B4 F16 N4 O8 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Paul M. Roberts; James E. Thomson; Charlotte M. Zammit","Asymmetric syntheses of enantiopure C(5)-substituted transpentacins via diastereoselective Ireland-Claisen rearrangements","Chem.Commun.","2013","49","","7037","","10.1039/c3cc43250e","","","1.54184","CuKα","","0.0391","0.0382","","0.1035","0.1027","0.1017","","","","","","1.0101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109581","11.3568","0.0003","14.7861","0.0004","15.7682","0.0004","90","","90","","90","","2647.84","0.12","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 N2 O2 P Ru -","- C27 H41 N2 O2 P Ru -","- C108 H164 N8 O8 P4 Ru4 -","4","1","","Chelsea A. Huff; Jeff W. Kampf; Melanie S. Sanford","Reversible carbon-carbon bond formation between carbonyl compounds and a ruthenium pincer complex","Chem.Commun.","2013","49","","7147","","10.1039/c3cc43517b","","","0.71073","MoKα","","0.0266","0.0236","","","0.0535","0.0553","","","","","","1.068","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109596","10.0279","0.0001","10.4702","0.0001","13.2012","0.0001","90","","90","","90","","1386.05","0.02","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","R-Dianin's Compound","R-4-p-hydroxyphenyl-2,2,4-trimethylchroman","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Christopher S. Frampton; Kamal A. Ketuly; A. Hamid A. Hadi; James H. Gall; David D. MacNicol","Engineering robust polar chiral clathrate crystals","Chem.Commun.","2013","49","","7198","","10.1039/c3cc43012j","","","1.54178","CuKα","","0.0255","0.0254","","","0.0684","0.0684","","","","","","1.007","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7109597","10.5486","0.0001","10.5395","0.0001","13.1045","0.0002","90","","90","","90","","1456.92","0.03","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-ThiaDianin's Compound","S-4-p-hydroxyphenyl-2,2,4-trimethylthiachroman","","- C18 H20 O S -","- C18 H20 O S -","- C72 H80 O4 S4 -","4","1","","Christopher S. Frampton; Kamal A. Ketuly; A. Hamid A. Hadi; James H. Gall; David D. MacNicol","Engineering robust polar chiral clathrate crystals","Chem.Commun.","2013","49","","7198","","10.1039/c3cc43012j","","","1.54178","CuKα","","0.0269","0.0259","","","0.07","0.0704","","","","","","1.006","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7109606","11.4213","0.0005","13.1929","0.0004","17.273","0.0005","90","","90","","90","","2602.7","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Br N3 O3 -","- C30 H24 Br N3 O3 -","- C120 H96 Br4 N12 O12 -","4","1","","Li Tian; Xiu-Qin Hu; Yun-Han Li; Peng-Fei Xu","Organocatalytic asymmetric multicomponent cascade reaction via 1,3-proton shift and [3+2] cycloaddition: an efficient strategy for the synthesis of oxindole derivatives","Chem.Commun.","2013","49","","7213","","10.1039/c3cc43755h","","","0.7107","MoKα","","0.1025","0.053","","","0.0731","0.0883","","","","","","1.025","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109641","6.915","0.0004","12.5529","0.0008","24.5201","0.0014","90","","90","","90","","2128.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O3 -","- C22 H30 N2 O3 -","- C88 H120 N8 O12 -","4","1","","John D. Knight; Don M. Coltart","Asymmetric anti-aldol addition of achiral ketones via chiral N-amino cyclic carbamate hydrazones","Chem.Commun.","2013","49","","7495","","10.1039/c3cc44716b","","","0.71073","MoKα","","0.0518","0.0391","","","0.099","0.1087","","","","","","1.054","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109645","6.3443","0.0008","18.518","0.002","19.686","0.002","90","","90","","90","","2312.8","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 O3 -","- C28 H30 O3 -","- C112 H120 O12 -","4","1","","Manolis D. Tzirakis; Nicolas Marion; W. Bernd Schweizer; Francois Diederich","A shape-persistent alleno-acetylenic macrocycle with a modifiable periphery: synthesis, chiroptical properties and H-bond-driven self-assembly into a homochiral columnar structure","Chem.Commun.","2013","49","","7605","","10.1039/c3cc44101f","","","1.54178","CuKα","","0.0603","0.0482","","","0.107","0.1121","","","","","","1.143","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109657","17.4396","0.001","22.404","0.0015","29.2728","0.0018","90","","90","","90","","11437.4","1.2","230","2","230","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H19 Cd2 O20 P -","- C52 H20 Cd2 O20 P -","- C208 H80 Cd8 O80 P4 -","4","1","","Zhuxiu Zhang; Young Ran Ji; Lukasz Wojtas; Wen-Yang Gao; Shengqian Ma; Michael J. Zaworotko; Jon C. Antilla","Two homochiral organocatalytic metal organic materials with nanoscopic channels","Chem.Commun.","2013","49","","7693","","10.1039/c3cc43801e","","","1.54178","CuKα","","0.0363","0.0313","","","0.0697","0.0713","","","","","","0.923","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109658","7.2969","0.0011","11.1694","0.0016","16.483","0.002","90","","90","","90","","1343.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C64 H52 Br4 O8 -","4","1","","Jun-Wei Zhang; Quan Cai; Qing Gu; Xiao-Xin Shi; Shu-Li You","Enantioselective synthesis of benzofurans and benzoxazines via an olefin cross-metathesis-intramolecular oxo-Michael reaction","Chem.Commun.","2013","49","","7750","","10.1039/c3cc43937b","","","0.71073","MoKα","","0.0632","0.0411","","","0.1001","0.1122","","","","","","0.92","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109704","9.543","0.003","10.021","0.004","26.16","0.009","90","","90","","90","","2501.7","1.5","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Cl N2 O3 S -","- C29 H25 Cl N2 O3 S -","- C116 H100 Cl4 N8 O12 S4 -","4","1","","Yunfei Cai; Xiaohua Liu; Pengfei Zhou; Yulong Kuang; Lili Lin; Xiaoming Feng","Iron-catalyzed asymmetric haloamination reactions","Chem.Commun.","2013","49","","8054","","10.1039/c3cc44421j","","","0.71073","MoKα","","0.076","0.0613","","","0.1464","0.156","","","","","","1.05","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109729","6.578","0.0003","6.7134","0.0003","23.3003","0.0011","90","","90","","90","","1028.96","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C36 H56 N8 O16 -","4","1","","Amit Choudhary; Charles G. Fry; Kimberli J. Kamer; Ronald T. Raines","An n‒>pi^*^ interaction reduces the electrophilicity of the acceptor carbonyl group","Chem.Commun.","2013","49","","8166","","10.1039/c3cc44573a","","","0.71073","MoKα","","0.0382","0.0366","","","0.0982","0.0995","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109734","10.874","0.004","18.405","0.008","25.171","0.011","90","","90","","90","","5038","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 La3 N12 O20 -","- C36 H49 La3 N12 O20 -","- C144 H196 La12 N48 O80 -","4","1","","Rui-Li Sang; Li Xu","Unprecedented infinite lanthanide hydroxide ribbons [Ln\3(mu\3-OH)\3]n^6n+^ in a 3-D metal-organic framework","Chem.Commun.","2013","49","","8344","","10.1039/c3cc44181d","","","0.71073","MoKα","","0.077","0.071","","","0.1633","0.1715","","","","","","1.152","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109735","10.701","0.002","18.247","0.004","25.046","0.006","90","","90","","90","","4890.5","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 N12 Nd3 O20.5 -","- C36 H50 N12 Nd3 O20.5 -","- C144 H200 N48 Nd12 O82 -","4","1","","Rui-Li Sang; Li Xu","Unprecedented infinite lanthanide hydroxide ribbons [Ln\3(mu\3-OH)\3]n^6n+^ in a 3-D metal-organic framework","Chem.Commun.","2013","49","","8344","","10.1039/c3cc44181d","","","0.71073","MoKα","","0.0269","0.0257","","","0.0508","0.0518","","","","","","1.1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109736","10.732","0.002","18.271","0.004","25.052","0.006","90","","90","","90","","4912.3","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 N12 O20.5 Pr3 -","- C36 H50 N12 O20.5 Pr3 -","- C144 H200 N48 O82 Pr12 -","4","1","","Rui-Li Sang; Li Xu","Unprecedented infinite lanthanide hydroxide ribbons [Ln\3(mu\3-OH)\3]n^6n+^ in a 3-D metal-organic framework","Chem.Commun.","2013","49","","8344","","10.1039/c3cc44181d","","","0.71073","MoKα","","0.0314","0.0296","","","0.0575","0.0588","","","","","","1.104","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109752","5.8517","0.0005","16.9278","0.0015","17.4654","0.0015","90","","90","","90","","1730.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br F N O -","- C19 H19 Br F N O -","- C76 H76 Br4 F4 N4 O4 -","4","1","","Ran-Ning Guo; Xian-Feng Cai; Lei Shi; Zhi-Shi Ye; Mu-Wang Chen; Yong-Gui Zhou","An efficient route to chiral N-heterocycles bearing a C-F stereogenic center via asymmetric hydrogenation of fluorinated isoquinolines","Chem.Commun.","2013","49","","8537","","10.1039/c3cc45341c","","","0.71073","MoKα","","0.0602","0.0405","","","0.092","0.1","","","","","","1.002","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109757","8.1843","0.0016","10.679","0.002","21.79","0.004","90","","90","","90","","1904.4","0.6","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Cl N O6 -","- C20 H14 Cl N O6 -","- C80 H56 Cl4 N4 O24 -","4","1","","Xiang Li; Lei Yang; Cheng Peng; Xin Xie; Hai-Jun Leng; Biao Wang; Zheng-Wei Tang; Gu He; Liang Ouyang; Wei Huang; Bo Han","Michael reaction for asymmetric synthesis of a drug-like oxa-spirocyclic indanone scaffold","Chem.Commun.","2013","49","","8692","","10.1039/c3cc44004d","","","0.71073","MoKα","","0.0363","0.034","","","0.0802","0.0819","","","","","","1","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109760","7.6205","0.0002","10.6084","0.0003","24.2862","0.0007","90","","90","","90","","1963.33","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru","Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state","Chem.Commun.","2013","49","","8713","","10.1039/c3cc44281k","","","1.54178","CuKα","","0.0258","0.0252","","","0.064","0.0645","","","","","","1.066","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109761","7.6186","0.0002","10.6097","0.0002","24.3166","0.0005","90","","90","","90","","1965.54","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru","Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state","Chem.Commun.","2013","49","","8713","","10.1039/c3cc44281k","","","1.54178","CuKα","","0.0258","0.0256","","","0.0658","0.0659","","","","","","1.085","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109798","8.6444","0.0015","15.088","0.003","15.404","0.003","90","","90","","90","","2009.1","0.7","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N5 O3 -","- C20 H25 N5 O3 -","- C80 H100 N20 O12 -","4","1","","Yan, Xiao-Sheng; Wu, Kun; Yuan, Yuan; Zhan, Ying; Wang, Jin-He; Li, Zhao; Jiang, Yun-Bao","β-Turn structure in glycinylphenylalanine dipeptide based N-amidothioureas","Chemical Communications (Cambridge, United Kingdom)","2013","49","79","8943","8945","10.1039/c3cc44336a","","","0.71073","MoKα","","0.047","0.0443","","","0.1172","0.1193","","","","","","1.033","","","","has coordinates","211022","2020-10-21","18:00:00",""
"7109816","10.9067","0.001","19.265","0.002","19.688","0.002","90","","90","","90","","4136.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ph2N-BCl2-IPr","Diphenylaminodichloroborane-1,3-Bis (2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene","","- C46 H54 B Cl2 N3 -","- C46 H54 B Cl2 N3 -","- C184 H216 B4 Cl8 N12 -","4","1","","Naomi E. Stubbs; Titel Jurca; Erin M. Leitao; Christopher H. Woodall; Ian Manners","Polyaminoborane main chain scission using N-heterocyclic carbenes; formation of donor-stabilised monomeric aminoboranes","Chem.Commun.","2013","49","","9098","","10.1039/c3cc44373f","","","0.71073","MoKα","","0.0548","0.0385","","","0.0824","0.0887","","","","","","1.03","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109822","9.633","0.005","18.305","0.008","33.028","0.015","90","","90","","90","","5824","5","100","2","100","2","","","101.325","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","gammatripeptide","","","- C25 H47 N3 O6 -","- C25 H47 N3 O6 -","- C200 H376 N24 O48 -","8","2","","Sandip V. Jadhav; Hosahudya N. Gopi","Remarkable thermoresponsive nanofibers from gamma-peptides","Chem.Commun.","2013","49","","9179","","10.1039/c3cc45383a","","","0.71073","MoKα","","0.1965","0.1057","","","0.2218","0.2667","","","","","","1.033","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109843","6.6858","0.0012","13.781","0.002","17.545","0.003","90","","90","","90","","1616.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br N O3 -","- C19 H14 Br N O3 -","- C76 H56 Br4 N4 O12 -","4","1","","Qi-Lin Wang; Lin Peng; Fei-Ying Wang; Ming-Liang Zhang; Li-Na Jia; Fang Tian; Xiao-Ying Xu; Li-Xin Wang","An organocatalytic asymmetric sequential allylic alkylation-cyclization of Morita-Baylis-Hillman carbonates and 3-hydroxyoxindoles","Chem.Commun.","2013","49","","9422","","10.1039/c3cc45139a","","","0.71073","MoKα","","0.0497","0.0366","","","0.0868","0.0938","","","","","","1.055","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109845","8.2745","0.0007","15.5626","0.0013","16.2094","0.0014","90","","90","","90","","2087.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 B10 -","- C20 H24 B10 -","- C80 H96 B40 -","4","1","","Guo Fan Jin; Jo-Hyun Hwang; Jong-Dae Lee; Kyung-Ryang Wee; Il-Hwan Suh; Sang Ook Kang","A three-dimensional pi-electron acceptor, tri-phenyl-o-carborane, bearing a rigid conformation with end-on phenyl units","Chem.Commun.","2013","49","","9398","","10.1039/c3cc45313h","","","0.71073","MoKα","","0.0458","0.0427","","","0.1155","0.119","","","","","","1.019","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109850","4.5824","0.0003","15.416","0.0011","22.7652","0.0014","90","","90","","90","","1608.19","0.18","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 S -","- C18 H21 N O2 S -","- C72 H84 N4 O8 S4 -","4","1","","Elise M. Rochette; William Lewis; Al G. Dossetter; Robert A. Stockman","Highly diastereoselective radical cyclisations of chiral sulfinimines","Chem.Commun.","2013","49","","9395","","10.1039/c3cc45452e","","","1.5418","CuKα","","0.0319","0.0309","","","0.0805","0.0815","","","","","","1.045","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109855","10.914","0.004","11.526","0.004","26.138","0.009","90","","90","","90","","3288","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H49 Cl2 N O Ru -","- C34 H49 Cl2 N O Ru -","- C136 H196 Cl8 N4 O4 Ru4 -","4","1","","Jun Zhang; Shangfei Song; Xiao Wang; Jiajun Jiao; Min Shi","Ruthenium-catalyzed olefin metathesis accelerated by the steric effect of the backbone substituent in cyclic (alkyl)(amino) carbenes","Chem.Commun.","2013","49","","9491","","10.1039/c3cc45823g","","","0.71073","MoKα","","0.026","0.0238","","","0.0525","0.0532","","","","","","1.005","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109869","17.479","0.008","10.231","0.005","12.459","0.006","90","","90","","90","","2228","1.8","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 O3 P Se -","- C25 H21 O3 P Se -","- C100 H84 O12 P4 Se4 -","4","1","","Toshiaki Murai; Yuuki Maekawa; Masaki Monzaki; Takafumi Ando; Toshifumi Maruyama","Anti-Markovnikov hydrophosphoroselenoylation of alkenes using phosphorodiselenoic acid esters leading to the formation of phosphonoselenoic acid esters","Chem.Commun.","2013","49","","9675","","10.1039/c3cc45912h","","","0.7107","MoKα","","0.0713","0.0633","","","0.1647","0.1711","","","","","","1","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109876","6.4177","0.0009","12.2541","0.0018","19.54","0.003","90","","90","","90","","1536.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N O4 -","- C16 H16 Cl N O4 -","- C64 H64 Cl4 N4 O16 -","4","1","","Qing-Hua Li; Tang-Lin Liu; Liang Wei; Xiang Zhou; Hai-Yan Tao; Chun-Jiang Wang","exo-Selective construction of spiro-[butyrolactone=pyrrolidine] via 1,3]dipolar cycloaddition of azomethine ylides with alpha-methylene- -gamma-butyrolactone catalyzed by Cu(I)/DTBM-BIPHEP","Chem.Commun.","2013","49","","9642","","10.1039/c3cc45493b","","","0.71073","MoKα","","0.0884","0.0805","","","0.2433","0.2547","","","","","","1.048","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109889","7.612","0.006","10.349","0.009","13.003","0.01","90","","90","","90","","1024.3","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Morada","","","- C12 H9 Fe N O -","- C12 H9 Fe N O -","- C48 H36 Fe4 N4 O4 -","4","1","","Daniel Nieto; Sonia Bruna; M. Merced Montero-Campillo; Josefina Perles; Ana Ma Gonzalez-Vadillo; Julia Mendez; Otilia Mo; Isabel Cuadrado","Mechanochemical and silica gel-mediated formation of highly electron-poor 1-cyanocarbonylferrocene","Chem.Commun.","2013","49","","9785","","10.1039/c3cc44619k","","","0.71073","","","0.0799","0.0537","","","0.125","0.1412","","","","","","1","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109906","11.6885","0.0002","16.3224","0.0002","17.9468","0.0003","90","","90","","90","","3423.97","0.09","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H27 I N3 O0.5 -","- C13 H27 I N3 O0.5 -","- C104 H216 I8 N24 O4 -","8","2","","Wenchao Chen; Wenguo Yang; Lin Yan; Choon-Hong Tan; Zhiyong Jiang","Bicyclic guanidinium-catalyzed enantioselective phase-transfer alkylation: direct access to pyrroloindolines and furoindolines","Chem.Commun.","2013","49","","9854","","10.1039/c3cc46111d","","","1.5418","CuKα","","0.0553","0.051","","","0.1269","0.132","","","","","","1.033","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7109923","6.1396","0.0012","7.5599","0.0015","30.535","0.006","90","","90","","90","","1417.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H6 F4 N4 O -","- C15 H5 F4 N4 O -","- C60 H20 F16 N16 O4 -","4","1","","Ben-Bo Ni; Kai Wang; Qifan Yan; Hao Chen; Yuguo Ma; Bo Zou","Pressure accelerated 1,3-dipolar cycloaddition of azide and alkyne groups in crystals","Chem.Commun.","2013","49","","10130","","10.1039/c3cc46153j","","","0.71073","MoKα","","0.1025","0.0386","","","0.0616","0.0701","","","","","","0.97","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109941","11.0391","0.0005","16.4909","0.0008","30.2689","0.0014","90","","90","","90","","5510.3","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 Au B Cl Mn O2 P -","- C29 H29 Au B Cl Mn O2 P -","- C232 H232 Au8 B8 Cl8 Mn8 O16 P8 -","8","2","","Holger Braunschweig; Krzysztof Radacki; Rong Shang","sigma-coordination of metal-boryl bonds to gold(I)","Chem.Commun.","2013","49","","9905","","10.1039/c3cc45455j","","","0.71073","MoKα","","0.0445","0.0365","","","0.0711","0.0734","","","","","","1.095","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109954","6.17114","0.00012","12.3956","0.0002","24.5886","0.0004","90","","90","","90","","1880.9","0.06","120","2","120.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 N2 O -","- C18 H30 N2 O -","- C72 H120 N8 O4 -","4","1","","Michael S. Perryman; Matthew E. Harris; Jade L. Foster; Anushka Joshi; Guy J. Clarkson; David J. Fox","Trichloromethyl ketones: asymmetric transfer hydrogenation and subsequent Jocic-type reactions with amines","Chem.Commun.","2013","49","","10022","","10.1039/c3cc46070c","","","1.5418","CuKα","","0.0615","0.0613","","","0.1607","0.1608","","","","","","1.202","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109955","4.89752","0.00009","11.8626","0.0002","28.4357","0.0006","90","","90","","90","","1652.04","0.05","150","2","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 Cl N2 O -","- C16 H23 Cl N2 O -","- C64 H92 Cl4 N8 O4 -","4","1","","Michael S. Perryman; Matthew E. Harris; Jade L. Foster; Anushka Joshi; Guy J. Clarkson; David J. Fox","Trichloromethyl ketones: asymmetric transfer hydrogenation and subsequent Jocic-type reactions with amines","Chem.Commun.","2013","49","","10022","","10.1039/c3cc46070c","","","1.5418","CuKα","","0.0421","0.0389","","","0.0994","0.1033","","","","","","1.051","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109961","5.7467","0.0005","17.9631","0.0016","20.3944","0.0019","90","","90","","90","","2105.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cu N7 O10 -","- C16 H17 Cu N7 O10 -","- C64 H68 Cu4 N28 O40 -","4","1","","Ying Zhao; Dong-Sheng Deng; Lu-Fang Ma; Bao-Ming Jib; Li-Ya Wang","A new copper-based metal-organic framework as a promising heterogeneous catalyst for chemo- and regio-selective enamination of beta-ketoesters","Chem.Commun.","2013","49","","10299","","10.1039/c3cc45310c","","","0.71073","MoKα","","0.0327","0.0277","","","0.0697","0.072","","","","","","1.057","","","","has coordinates","288197","2023-12-08","18:09:39",""
"7109975","9.7782","0.0006","10.1868","0.0006","25.4096","0.0014","90","","90","","90","","2531","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","XXU-33-BrCl","Organics","","- C27 H25 Br Cl N O4 -","- C27 H25 Br Cl N O4 -","- C108 H100 Br4 Cl4 N4 O16 -","4","1","","Xinfang Xu; Peter J. Zavalij; Michael P. Doyle","A donor-acceptor cyclopropene as a dipole source for a silver(I) catalyzed asymmetric catalytic [3+3]-cycloaddition with nitrones","Chem.Commun.","2013","49","","10287","","10.1039/c3cc46415f","","","0.71073","MoKα","","0.0302","0.0254","","","0.0485","0.0498","","","","","","1","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109999","7.5579","0.0006","12.338","0.001","18.5927","0.0012","90","","90","","90","","1733.8","0.2","291","2","291.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N -","- C23 H19 N -","- C92 H76 N4 -","4","1","","Jinhai Shen; Guolin Cheng; Xiuling Cui","'One pot' regiospecific synthesis of polysubstituted pyrroles from benzylamines and ynones under metal free conditions","Chem.Commun.","2013","49","","10641","","10.1039/c3cc43844a","","","0.7107","MoKα","","0.0839","0.0599","","","0.1336","0.1548","","","","","","1.047","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7110000","7.5359","0.0011","12.7094","0.0013","18.19","0.002","90","","90","","90","","1742.2","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N -","- C23 H19 N -","- C92 H76 N4 -","4","1","","Jinhai Shen; Guolin Cheng; Xiuling Cui","'One pot' regiospecific synthesis of polysubstituted pyrroles from benzylamines and ynones under metal free conditions","Chem.Commun.","2013","49","","10641","","10.1039/c3cc43844a","","","0.7107","MoKα","","0.1014","0.0645","","","0.1413","0.1717","","","","","","1.046","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110005","7.6053","0.0009","9.7866","0.0009","23.4727","0.0018","90","","90","","90","","1747.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O5 S -","- C17 H16 Br N O5 S -","- C68 H64 Br4 N4 O20 S4 -","4","1","","Kalisankar Bera; Irishi N. N. Namboothiri","Enantioselective synthesis of alpha-nitro-delta-ketosulfones via a quinine-squaramide catalyzed conjugate addition of alpha-nitrosulfones to enones","Chem.Commun.","2013","49","","10632","","10.1039/c3cc45985c","","","0.71073","MoKα","","0.0319","0.0285","","","0.0615","0.063","","","","","","0.941","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110020","10.4473","0.0002","16.2159","0.0002","17.587","0.0002","90","","90","","90","","2979.46","0.08","173","2","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H44 Cu I N P3 Ru -","- C21 H44 Cu I N P3 Ru -","- C84 H176 Cu4 I4 N4 P12 Ru4 -","4","1","","Amrendra K. Singh; Benjamin G. Levine; Richard J. Staples; Aaron L. Odom","A 4-coordinate Ru(II) imido: unusual geometry, synthesis, and reactivity","Chem.Commun.","2013","49","","10799","","10.1039/c3cc46596a","","","0.71073","MoKα","","0.0674","0.0425","","","0.061","0.0693","","","","","","0.991","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110031","8.0616","0.0016","10.147","0.002","26.551","0.005","90","","90","","90","","2171.9","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Br F3 N2 O4 -","- C23 H16 Br F3 N2 O4 -","- C92 H64 Br4 F12 N8 O16 -","4","1","","Neng-Jun Zhong; Feng Wei; Qing-Qing Xuan; Li Liu; Dong Wang; Yong-Jun Chen","Highly diastereo‒ and enantioselective [3+2] annulation of isatin-derived Morita-Baylis-Hillman carbonates with trifluoropyruvate catalyzed by tertiary amines","Chem.Commun.","2013","49","","11071","","10.1039/c3cc46490c","","","0.71073","MoKα","","0.0383","0.0346","","","0.0741","0.0759","","","","","","1.088","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110054","10.4965","0.0006","11.6262","0.0007","14.6325","0.0009","90","","90","","90","","1785.67","0.18","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O6 -","- C19 H18 N2 O6 -","- C76 H72 N8 O24 -","4","1","","Hitomi Yamada; Masaatsu Adachi; Toshio Nishikawa","Stereocontrolled synthesis of the oxathiabicyclo[3.3.1]nonane core structure of tagetitoxin","Chem.Commun.","2013","49","","11221","","10.1039/c3cc46949b","","","0.71073","MoKα","","0.0317","0.0299","","","0.071","0.072","","","","","","1.04","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110084","16.0521","0.0004","16.1874","0.0004","38.9167","0.001","90","","90","","90","","10112.2","0.4","140","","140","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C102 H119 N7 O6 -","- C102 H119 N7 O6 -","- C408 H476 N28 O24 -","4","1","","Min Jun Kim; Ye Rin Choi; Hae-Geun Jeon; Philjae Kang; Moon-Gun Choi; Kyu-Sung Jeong","A helically twisted imine macrocycle that allows for determining the absolute configuration of appha-amino carboxylates","Chem.Commun.","2013","49","","11412","","10.1039/c3cc46754f","","","1.54178","CuKα","","0.0978","0.0674","","","0.179","0.1956","","","","","","1.075","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110085","12.8063","0.0003","22.7406","0.0006","29.1298","0.0007","90","","90","","90","","8483.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H92 Co N14 O34 P -","- C70 H92 Co N14 O34 P -","- C280 H368 Co4 N56 O136 P4 -","4","1","","Mikolaj Chrominski; Agnieszka Lewalska; Dorota Gryko","Reduction-free synthesis of stable acetylide cobalamins","Chem.Commun.","2013","49","","11406","","10.1039/c3cc47210h","","","1.54178","CuKα","","0.0543","0.0522","","","0.1442","0.1462","","","","","","1.058","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110086","15.8339","0.0004","21.8117","0.0006","25.9778","0.0007","90","","90","","90","","8971.8","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H103 Co N13 O25 P -","- C76.871 H102.742 Co N13 O24.585 P -","- C307.484 H410.968 Co4 N52 O98.34 P4 -","4","1","","Mikolaj Chrominski; Agnieszka Lewalska; Dorota Gryko","Reduction-free synthesis of stable acetylide cobalamins","Chem.Commun.","2013","49","","11406","","10.1039/c3cc47210h","","","1.54178","CuKα","","0.0633","0.0583","","","0.167","0.1704","","","","","","1.02","","","","has coordinates,has disorder","180214","2020-10-21","18:00:00",""
"7110087","15.8504","0.0003","21.6765","0.0004","26.2587","0.0005","90","","90","","90","","9022","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C79 H131 Co N13 O27 P -","- C79 H109 Co N13 O27 P -","- C316 H436 Co4 N52 O108 P4 -","4","1","","Mikolaj Chrominski; Agnieszka Lewalska; Dorota Gryko","Reduction-free synthesis of stable acetylide cobalamins","Chem.Commun.","2013","49","","11406","","10.1039/c3cc47210h","","","1.54178","CuKα","","0.0477","0.0422","","","0.1064","0.1088","","","","","","1.017","","","","has coordinates,has disorder","180214","2020-10-21","18:00:00",""
"7110091","10.175","0.0002","23.605","0.0006","24.7146","0.0006","90","","90","","90","","5936","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dimethyl 2-({1RS,2SR,3SR)-3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[2-methoxy- 1-(methoxycarbonyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl}methyl)malonate","","- C30 H36 O12 -","- C30 H36 O12 -","- C240 H288 O96 -","8","2","","Olga A. Ivanova; Ekaterina M. Budynina; Dmitriy A. Skvortsov; Michelle Limoge; Andrei V. Bakin; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","A bioinspired route to indanes and cyclopentannulated hetarenes via (3+2)-cyclodimerization of donor-acceptor cyclopropanes","Chem.Commun.","2013","49","","11482","","10.1039/c3cc44475a","","","1.5418","CuKα","","0.1152","0.0431","","","0.041","0.0531","","","","","","0.668","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110099","12.1557","0.0007","14.0158","0.0008","15.6731","0.0009","90","","90","","90","","2670.3","0.3","95","2","95","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(η^5^pentamethylcyclopentadienyl)- (methyl 1-butyl-2-phenyl-benzimidazole carboxylate-κC,N)- chlorido-iridium(III)","","- C29 H34 Cl Ir N2 O2 -","- C29 H34 Cl Ir N2 O2 -","- C116 H136 Cl4 Ir4 N8 O8 -","4","1","","Gorakh S. Yellol; Antonio Donaire; Jyoti G. Yellol; Vera Vasylyeva; Christoph Janiak; Jose Ruiz","On the antitumor properties of novel cyclometalated benzimidazole Ru(II), Ir(III) and Rh(III) complexes","Chem.Commun.","2013","49","","11533","","10.1039/c3cc46239k","","","1.54178","CuKα","","0.0323","0.0302","","","0.0653","0.0663","","","","","","1.109","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110142","5.9056","0.0005","12.2286","0.0012","26.909","0.003","90","","90","","90","","1943.3","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O4 Si -","- C19 H30 O4 Si -","- C76 H120 O16 Si4 -","4","1","","Sijia Liu; Jianrong (Steve) Zhou","Desymmetrization of cyclic olefins via asymmetric Heck reaction and hydroarylation","Chem.Commun.","2013","49","","11758","","10.1039/c3cc47551d","","","0.71073","MoKα","","0.1183","0.0791","","","0.1827","0.2096","","","","","","1.14","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7110145","8.413","0.001","14.85","0.002","21.756","0.002","90","","90","","90","","2718","0.5","295","1","295","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Cl3 N O3 S -","- C26 H28 Cl3 N O3 S -","- C104 H112 Cl12 N4 O12 S4 -","4","1","","Pandur Venkatesan Balaji; Srinivasan Chandrasekaran","Stereoselective geminal difunctionalization of vinyl arenes mediated by the bromonium ion","Chem.Commun.","2013","50","","70","","10.1039/c3cc46003g","","x-ray","0.71073","MoKα","","0.1637","0.0768","","","0.1077","0.1387","","","","","","0.975","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110171","8.1331","0.001","12.6193","0.0016","23.637","0.003","90","","90","","90","","2426","0.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-DAC=PPh","","","- C27 H27 N2 O2 P -","- C27 H27 N2 O2 P -","- C108 H108 N8 O8 P4 -","4","1","","Roberta R. Rodrigues; Christopher L. Dorsey; Chelsee A. Arceneaux; Todd W. Hudnall","Phosphaalkene vs. phosphinidene: the nature of the P-C bond in carbonyl-decorated carbene > PPh adducts","Chem.Commun.","2014","50","","162","","10.1039/c3cc45134h","","","0.71075","MoKα","","0.1125","0.0631","","","0.1367","0.1603","","","","","","1.008","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110175","11.1762","0.0008","15.744","0.0012","18.2008","0.0014","90","","90","","90","","3202.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H48 Er N3 Si3 -","- C26 H48 Er N3 Si3 -","- C104 H192 Er4 N12 Si12 -","4","1","","Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang","A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination","Chem.Commun.","2014","50","","177","","10.1039/c3cc47006g","","","0.71073","MoKα","","0.0368","0.0253","","","0.0649","0.0732","","","","","","0.817","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110176","11.1504","0.0016","16.584","0.002","17.122","0.002","90","","90","","90","","3166.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H48 N3 Si3 Y -","- C26 H48 N3 Si3 Y -","- C104 H192 N12 Si12 Y4 -","4","1","","Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang","A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination","Chem.Commun.","2014","50","","177","","10.1039/c3cc47006g","","","0.71073","MoKα","","0.0874","0.044","","","0.0856","0.099","","","","","","0.95","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110177","10.3286","0.0012","11.6063","0.0013","16.6657","0.0019","90","","90","","90","","1997.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(4-bromobenzoyl)-2-methyl-4,4-diphenylpyrrolidine","","- C24 H22 Br N O -","- C24 H22 Br N O -","- C96 H88 Br4 N4 O4 -","4","1","","Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang","A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination","Chem.Commun.","2014","50","","177","","10.1039/c3cc47006g","","","0.71073","MoKα","","0.0808","0.0494","","","0.15","0.1775","","","","","","0.835","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110179","7.487","0.0011","9.5208","0.0014","19.774","0.003","90","","90","","90","","1409.5","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(4-bromobenzoyl)-2,4,4-trimethylpyrrolidine","","- C14 H18 Br N O -","- C14 H18 Br N O -","- C56 H72 Br4 N4 O4 -","4","1","","Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang","A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination","Chem.Commun.","2014","50","","177","","10.1039/c3cc47006g","","","0.71073","MoKα","","0.051","0.0345","","","0.1045","0.1201","","","","","","0.815","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110223","8.0638","0.0002","12.312","0.0004","17.2952","0.0005","90","","90","","90","","1717.09","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","1","","Anne Miersch; Klaus Harms; Gerhard Hilt","Zinc-mediated addition of diethyl bromomalonate to alkynes for the cascade reaction towards polysubstituted pyranones and tetracarbonyl derivatives","Chem.Commun.","2014","50","","542","","10.1039/c3cc46788k","","","0.71073","MoKα","","0.0326","0.0309","","","0.0609","0.0614","","","","","","1.051","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110235","14.9833","0.0018","15.0663","0.0018","15.8285","0.0019","90","","90","","90","","3573.2","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cl2 Fe N6 O10 -","- C30 H44 Cl2 Fe N6 O10 -","- C120 H176 Cl8 Fe4 N24 O40 -","4","1","","Olga V. Makhlynets; Williamson N. Oloo; Yurii S. Moroz; Irina G. Belaya; Taryn D. Palluccio; Alexander S. Filatov; Peter Muller; Matthew A. Cranswick; Lawrence Que; Elena V. Rybak-Akimova","H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore","Chem.Commun.","2014","50","","645","","10.1039/c3cc47632d","","","0.71073","Mo-Kα","","0.1362","0.0771","","","0.175","0.2054","","","","","","1.053","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110238","13.8725","0.0015","18.435","0.002","26.781","0.003","90","","90","","90","","6849","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H84 Cl4 Fe2 N10 O22 -","- C56 H84 Cl4 Fe2 N10 O22 -","- C224 H336 Cl16 Fe8 N40 O88 -","4","1","","Olga V. Makhlynets; Williamson N. Oloo; Yurii S. Moroz; Irina G. Belaya; Taryn D. Palluccio; Alexander S. Filatov; Peter Muller; Matthew A. Cranswick; Lawrence Que; Elena V. Rybak-Akimova","H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore","Chem.Commun.","2014","50","","645","","10.1039/c3cc47632d","","","0.71073","MoKα","","0.0588","0.041","","","0.0869","0.0963","","","","","","1.034","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110264","8.1267","0.0003","14.4806","0.0007","15.9625","0.0009","90","","90","","90","","1878.46","0.16","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br N O4 -","- C21 H18 Br N O4 -","- C84 H72 Br4 N4 O16 -","4","1","","Jianfeng Zheng; Lili Lin; Yulong Kuang; Jiannan Zhao; Xiaohua Liu; Xiaoming Feng","Magnesium(II)-catalyzed asymmetric hetero-Diels-Alder reaction of Brassard's dienes with isatins","Chem.Commun.","2014","50","","994","","10.1039/c3cc47800a","","","0.7107","MoKα","","0.0775","0.0476","","","0.0697","0.0789","","","","","","1.016","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110282","7.7348","0.0004","7.8387","0.0005","21.9084","0.0013","90","","90","","90","","1328.32","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","BEDO-TSeF","","","- C10 H8 O4 Se4 -","- C10 H8 O4 Se4 -","- C40 H32 O16 Se16 -","4","1","","Imakubo, Tatsuro; Shirahata, Takashi; Kibune, Megumi","Synthesis, crystal structure and electrochemical properties of bis(ethylenedioxy)tetraselenafulvalene (BEDO-TSeF)","Chemical Communications","2004","","14","1590","1591","10.1039/b403559c","","","0.71073","MoKα","","0.0444","0.0372","","","0.0943","0.0979","","","","","","1.054","","","","has coordinates","180216","2020-10-21","18:00:00",""
"7110292","8.6383","0.0004","10.1038","0.0005","15.5131","0.0007","90","","90","","90","","1353.98","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 N2 S2 -","- C16 H10 N2 S2 -","- C64 H40 N8 S8 -","4","1","","Choytun, Dharinee D.; Langlois, Lisa D.; Johansson, Thomas P.; Macdonald, Charles L. B.; Leach, Gary W.; Weinberg, Noham; Clyburne, Jason A. C.","Azines possessing strong push?pull donors/acceptorsElectronic supplementary information (ESI) available: characterisation data, CIF files, atomic coordinates, bond length correlations, and details of the SHG studies. See http://www.rsc.org/suppdata/cc/b4/b404129a/","Chemical Communications","2004","","16","1842","1843","10.1039/b404129a","","","0.71073","MoKα","","0.0538","0.0482","","","0.0936","0.0974","","","","","","1.211","","","","has coordinates,has disorder","180216","2020-10-21","18:00:00",""
"7110407","5.919","0.001","8.569","0.001","14.959","0.001","90","","90","","90","","758.72","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","di(2-pyrrolyl) ketone","","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C36 H32 N8 O4 -","4","1","","Norsten, Tyler B.; McDonald, Robert; Branda, Neil R.","The self-assembly and spontaneous resolution of a hydrogen-bonded helix","Chemical Communications","1999","","8","719","","10.1039/a808638i","","","0.71073","MoKa","","0.1665","0.0594","","0.1249","0.0995","","","","0.894","1.067","1.067","","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110411","8.434","0.01","10.467","0.003","15.389","0.004","90","","90","","90","","1358.5","1.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 B F4 N2 -","- C10 H21 B F4 N2 -","- C40 H84 B4 F16 N8 -","4","1","","Alder, Roger W.; Blake, Michael E.; Bortolotti, Christel; Bufali, Simone; Butts, Craig P.; Linehan, Emma; Oliva, Josep M.; Guy Orpen, A.; Quayle, Michael J.","Complexation of stable carbenes with alkali metals","Chemical Communications","1999","","3","241","","10.1039/a808951e","","","0.71073","mokα","","0.0664","0.0394","","0.0958","0.085","","","","0.977","1.046","1.046","","","","","has coordinates,has disorder","278158","2022-09-26","15:28:11",""
"7110417","5.807","0.0007","13.393","0.002","15.477","0.003","90","","90","","90","","1203.7","0.3","173","","173","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 N O2 -","- C12 H20 N O2 -","- C48 H80 N4 O8 -","4","1","","Hodgson, David M.; Robinson, Lesley A.","A new and enantioselective indolizidine synthesis by meso-epoxide α-deprotonation‒transannular N‒C insertion","Chemical Communications","1999","","4","309","","10.1039/a809105f","","","0.71069","MoKα","","","0.0638","","","0.0626","","","","","1.0016","1.0016","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7110419","7.929","0.005","10.33","0.002","28.769","0.006","90","","90","","90","","2356.4","1.6","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Chloro(cysteineethylester-N,S)triphenylphosphinepalladium(II)","","- C23 H25 Cl N O2 P Pd S -","- C23 H25 Cl N O2 P Pd S -","- C92 H100 Cl4 N4 O8 P4 Pd4 S4 -","4","1","","Real, Julio; Pagès, Montserrat; Polo, Alfons; Francesc Piniella, J.; Álvarez-Larena, Ángel","Low symmetry metal complexes: chloro cysteine ethyl ester-N,S triphenylphosphine palladium(II), a new regioselective hydrocarboxylation catalyst for 2-phenylpropanoic acid, and its crystal structure","Chemical Communications","1999","","3","277","","10.1039/a809130g","","","0.71069","MoKα","","0.0302","0.0229","","","0.0595","0.0631","","","","","","1.13","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110431","7.8793","0.0001","8.1955","0.0001","22.0906","0.0004","90","","90","","90","","1426.5","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O5 S -","- C13 H17 N O5 S -","- C52 H68 N4 O20 S4 -","4","1","","Scott Oakes, R.; Clifford, Anthony A.; Bartle, Keith D.; Pett, Mark Thornton; Rayner, Christopher M.","Sulfur oxidation in supercritical carbon dioxide: dramatic pressure dependant enhancement of diastereoselectivity for sulfoxidation of cysteine derivatives","Chemical Communications","1999","","3","247","","10.1039/a809434i","","","0.71073","MoKα","","0.0258","0.0256","","","0.0706","0.0707","","","","","","1.074","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110438","8.6306","0.0007","10.61","0.002","15.119","0.004","90","","90","","90","","1384.5","0.5","293","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-Phenyl-8,8-dimethyl-10-aza-11-oxa-tricyclo[7.2.1.0]dodeca- 2,4,6,9tetraene","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Barnes, John C.; Horspool, William M.; Hynd, George","A new synthetic path to peri-naphthisoxazoles by oxidative intramolecular cyclization of some β,γ-unsaturated oximes","Chemical Communications","1999","","5","425","","10.1039/a809610d","","","0.71069","MoKα","","0.0387","0.0321","","","0.0686","0.07","","","","","","0.891","","","","has coordinates","180218","2020-10-21","18:00:00",""
"7110510","9.879","0.002","30.374","0.009","9.769","0.002","90","","90","","90","","2931.3","1.2","273.2","","273.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 B Cu N4 O2 -","- C32 H39 B Cu N4 O2 -","- C128 H156 B4 Cu4 N16 O8 -","4","1","","Tan, Xiang Shi; Fujii, Yuki; Sato, Tsuyoshi; Nakano, Yoshiharu; Yashiro, Morio","The crystal structures of glycylglycine and glycine complexes of cis,cis-1,3,5-triaminocyclohexane‒copper(II) as reaction intermediates of metal-promoted peptide hydrolysis","Chemical Communications","1999","","10","881","","10.1039/a901569h","","","0.7107","MoKα","","0.0518","0.0518","","","0.051","0.051","","","","","","3.203","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110514","9.984","0.002","15.039","0.004","17.653","0.002","90","","90","","90","","2650.6","0.9","293","2","293","2","","","","","","","K. Chen/ Prof. L. Que, Jr.","6","P 21 21 21","P 2ac 2ab","19","96CAD35","","","- C20 H28 Cl2 Fe N6 O8 -","- C20 H28 Cl2 Fe N6 O8 -","- C80 H112 Cl8 Fe4 N24 O32 -","4","1","","Chen, Kui; Jr., Lawrence Que","Evidence for the participation of a high-valent iron‒oxo species in stereospecific alkane hydroxylation by a non-heme iron catalyst","Chemical Communications","1999","","15","1375","","10.1039/a901678c","","","0.71073","MoKα","","0.0851","0.052","","0.1217","0.1052","","","","1.029","1.058","1.058","","","","","has coordinates,has disorder","180219","2020-10-21","18:00:00",""
"7110516","8.638","0.005","9.693","0.009","32.149","0.016","90","","90","","90","","2692","3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H44 O6 Si -","- C25 H44 O6 Si -","- C100 H176 O24 Si4 -","4","1","","Stephen Clark, J.; Dossetter, Alexander G.; Blake, Alexander J.; Li, Wan-Sheung; Whittingham, William G.","Synthesis of the functionalised core of neoliacinic acid","Chemical Communications","1999","","8","749","","10.1039/a901711i","","","0.71073","MoKα","","0.0639","0.0506","","","0.1066","0.1167","","","","","","1.041","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110521","7.546","0.001","11.848","0.001","15.712","0.001","90","","90","","90","","1404.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Griesbeck, Axel G.; Heckroth, Heike; Lex, Johann","Stereoselective Yang cyclizations of α-amido ketones","Chemical Communications","1999","","12","1109","","10.1039/a901723b","","","0.71073","MoKa","","0.1001","0.0502","","0.1158","0.099","","","","1.011","1.133","1.133","","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110564","14.105","0.003","16.529","0.003","25.563","0.005","90","","90","","90","","5960","2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","7,8-dicarba-nido-undecaborane borenium salt","","","- C28 H98 B20 N16 O P4 -","- C28 H98 B20 N16 O P4 -","- C112 H392 B80 N64 O4 P16 -","4","1","","Davidson, Matthew G.; Fox, Mark A.; Hibbert, Thomas G.; Howard, Judith A. K.; Mackinnon, Angus; Neretin, Ivan S.; Wade, Kenneth","Deboronation of ortho-carborane by an iminophosphorane: crystal structures of the novel carborane adduct nido-C2B10H12·HNP(NMe2)3 and the borenium salt [(Me2N)3PNHBNP(NMe2)3]2O2+(C2B9H12−)2","Chemical Communications","1999","","17","1649","","10.1039/a903030a","","","0.71073","MoKα","","0.2453","0.0619","","","0.0949","0.1383","","","","","","0.893","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110573","12.6693","0.001","16.4329","0.0012","25.2272","0.0018","90","","90","","90","","5252.1","0.7","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H25 I7 P Se -","- C11 H25 I7 P Se -","- C88 H200 I56 P8 Se8 -","8","2","","Seppälä, Emma; Ruthe, Frank; Jeske, Jörg; du Mont, Wolf-W.; Jones, Peter G.","Coordination and oxidation of phosphine selenides with iodine: from cation pairs [(R3PSe)2I+]2 to (iodoseleno)phosphonium ions [R3PSeI]+ existing as guests in polyiodide matrices","Chemical Communications","1999","","16","1471","","10.1039/a903249e","","","0.71073","MoKα","","0.0351","0.0249","","","0.0368","0.038","","","","","","0.893","","","","has coordinates","180219","2020-10-21","18:00:00",""
"7110658","16.979","0.002","17.594","0.003","18.052","0.003","90","","90","","90","","5392.6","1.4","123","2","123","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 F6 N2 O8 P2 Pd2 S2 -","- C52 H50 F6 N2 O8 P2 Pd2 S2 -","- C208 H200 F24 N8 O32 P8 Pd8 S8 -","4","1","","Butts, Craig P.; Crosby, John; Lloyd-Jones, Guy C.; Stephen, Susanna C.","Robust and catalytically active mono- and bis-Pd-complexes of the ‘Trost modular ligand’","Chemical Communications","1999","","17","1707","","10.1039/a905851f","","","0.71073","MoKα","","0.0699","0.051","","0.1352","0.1267","","","","1.006","1.067","1.067","","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7110667","7.333","0.002","14.455","0.003","22.976","0.004","90","","90","","90","","2435.4","0.9","295","","295","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cr N2 O4 -","- C27 H24 Cr N2 O4 -","- C108 H96 Cr4 N8 O16 -","4","1","","Rose-Munch, Françoise; Gagliardini, Vanessa; Perrotey, Anne; Tranchier, Jean-Philippe; Rose, Eric; Mangeney, Pierre; Alexakis, Alexandre; Kanger, Tonis; Vaissermann, Jacqueline","Two-step synthesis of homochiral monoaminals of tricarbonylphthalaldehydechromium complex","Chemical Communications","1999","","20","2061","","10.1039/a906043j","","","0.71073","MoKα","","","0.0442","","","0.0438","","","","","2.0941","2.0941","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7110668","8.4839","0.0003","13.709","0.001","17.887","0.001","90","","90","","90","","2080.4","0.2","294","","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O3 -","- C22 H31 N O3 -","- C88 H124 N4 O12 -","4","1","","Bertrand, Samuel; Hoffmann, Norbert; Pete, Jean-Pierre; Bulach, Véronique","Stereoselective radical-tandem reaction of aniline derivatives with (5R)-5-menthyloxy-2,5-dihydrofuran-2-one initiated by photochemical induced electron transfer","Chemical Communications","1999","","22","2291","","10.1039/a906051k","","","0.71073","Mo-Kα","","0.102","0.039","","0.07","","0.051","","","1.416","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7110700","6.415","0.002","19.871","0.005","21.298","0.008","90","","90","","90","","2714.9","1.5","190","","190","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N3 O9 -","- C28 H33 N3 O9 -","- C112 H132 N12 O36 -","4","1","","Hodgson, David M.; Stupple, Paul A.; Johnstone, Craig","Efficient RhII binaphthol phosphate catalysts for enantioselective intramolecular tandem carbonyl ylide formation‒cycloaddition of α-diazo-β-keto esters","Chemical Communications","1999","","21","2185","","10.1039/a906787f","","","1.5418","CuKα","","","0.0456","","","","0.0398","","","","","","1.0493","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110707","8.6242","0.001","20.6008","0.0008","7.2767","0.0011","90","","90","","90","","1292.8","0.3","283","2","283","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3',O-4'-C-methylene-5-methyluridine","3',O-4'-C-methylene-5-methyluridine","","- C11 H16 N2 O7 -","- C11 H16 N2 O7 -","- C44 H64 N8 O28 -","4","1","","Obika, Satoshi; Morio, Ken-ichiro; Hari, Yoshiyuki; Imanishi, Takeshi","Facile synthesis and conformation of 3′-O,4′-C-methyleneribonucleosides","Chemical Communications","1999","","23","2423","","10.1039/a907218g","","","1.54051","CuKα","","0.0379","0.0321","","0.0854","0.0806","","","","1.08","1.093","1.093","","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110731","7.703","0.0007","12.0995","0.0017","27.223","0.002","90","","90","","90","","2537.3","0.5","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Br F6 N2 O Ru Sb -","- C20 H26 Br F6 N2 O Ru Sb -","- C80 H104 Br4 F24 N8 O4 Ru4 Sb4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Garratt, Shaun A.; Russell, David R.","Kinetic control of stereoselectivity of halide substitution in arene ruthenium pyridyloxazoline complexes; a rare case of net inversion†","Chemical Communications","1999","","23","2331","","10.1039/a907873h","","","0.71073","MoKα","","0.0871","0.0579","","","0.1566","0.1804","","","","","","1.058","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110732","8.5892","0.0009","9.5732","0.0014","29.369","0.003","90","","90","","90","","2414.9","0.5","190","2","190","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Br F6 N2 O Ru Sb -","- C20 H26 Br F6 N2 O Ru Sb -","- C80 H104 Br4 F24 N8 O4 Ru4 Sb4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Garratt, Shaun A.; Russell, David R.","Kinetic control of stereoselectivity of halide substitution in arene ruthenium pyridyloxazoline complexes; a rare case of net inversion†","Chemical Communications","1999","","23","2331","","10.1039/a907873h","","","0.71073","MoKα","","0.0587","0.0534","","0.1364","0.1326","","","","1.09","1.105","1.105","","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110738","9.615","0.003","14.568","0.004","15.191","0.003","90","","90","","90","","2127.8","1","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Mo2 O4 P -","- C22 H19 Mo2 O4 P -","- C88 H76 Mo8 O16 P4 -","4","1","","Davies, John E.; Mays, Martin J.; Raithby, Paul R.; Woods, Anthony D.","Reactivity of acryloyl chloride towards the anion [Cp2(CO)4Mo2(μ-PPhH)]−; synthesis of an unusual phosphaalkene","Chemical Communications","1999","","24","2455","","10.1039/a907915g","","","0.71069","MoKα","","0.027","0.025","","","0.0735","0.0752","","","","","","0.993","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110755","11.2881","0.0002","13.4782","0.0003","15.8181","0.0004","90","","90","","90","","2406.62","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Cl2 P2 Pt -","- C24 H26 Cl2 P2 Pt -","- C96 H104 Cl8 P8 Pt4 -","4","1","","He, Guosen; Qin, Ying; Mok, K. F.; Leung, Pak-Hing","Metal ion effects on the asymmetric dimerization of 1-phenyl-3,4-dimethylphosphole","Chemical Communications","2000","","2","167","","10.1039/a907846k","","","0.71073","MoKα","","0.0228","0.0199","","0.0443","0.0434","","","","0.96","0.972","0.972","","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110756","10.1464","0.0012","13.2964","0.0018","22.618","0.003","90","","90","","90","","3051.4","0.7","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 N3 O6 Si -","- C27 H41 N3 O6 Si -","- C108 H164 N12 O24 Si4 -","4","1","","Al-Sehemi, Abdullah G.; Atkinson, Robert S.; Fawcett, John; Russell, David R.","Kinetic resolution of amines by acylation using 3-diacylaminoquinazolin-4(3H)-ones","Chemical Communications","2000","","1","43","","10.1039/a907970j","","","0.71073","MoKα","","0.1218","0.0521","","","0.0919","0.1141","","","","","","1.025","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110757","9.391","0.002","13.554","0.006","23.908","0.013","90","","90","","90","","3043","2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 N3 O6 Si -","- C27 H41 N3 O6 Si -","- C108 H164 N12 O24 Si4 -","4","1","","Al-Sehemi, Abdullah G.; Atkinson, Robert S.; Fawcett, John; Russell, David R.","Kinetic resolution of amines by acylation using 3-diacylaminoquinazolin-4(3H)-ones","Chemical Communications","2000","","1","43","","10.1039/a907970j","","","0.71073","MoKα","","0.2201","0.102","","","0.2351","0.3095","","","","","","1.041","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110758","12.152","0.009","13.17","0.007","18.293","0.009","90","","90","","90","","2928","3","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 N3 O6 Si -","- C27 H41 N3 O6 Si -","- C108 H164 N12 O24 Si4 -","4","1","","Al-Sehemi, Abdullah G.; Atkinson, Robert S.; Fawcett, John; Russell, David R.","Kinetic resolution of amines by acylation using 3-diacylaminoquinazolin-4(3H)-ones","Chemical Communications","2000","","1","43","","10.1039/a907970j","","","0.71073","MoKα","","0.063","0.0444","","","0.0909","0.0997","","","","","","1.032","","","","has coordinates","180221","2020-10-21","18:00:00",""
"7110770","17.518","0.004","17.524","0.004","27.033","0.005","90","","90","","90","","8299","3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","{bis(acetonitrile) 1,1'-bis[(S)-(1,1'-binaphthalene-2,2'-dioxy)phosphinoxy)] -3,3',5,5'-tetra-tert-butyl-2,2'-biphenyl}copper(I) triflate","","","- C73 H70 Cu F3 N2 O9 P2 S -","- C73 H67 Cu F3 N2 O9 P2 S -","- C292 H268 Cu4 F12 N8 O36 P8 S4 -","4","1","","Yan, Ming; Zhou, Zhong-Yuan; Chan, Albert S. C.","Conjugate addition of diethylzinc to α,β-unsaturated lactones catalyzed by copper‒phosphite complexes","Chemical Communications","2000","","2","115","","10.1039/a908467c","","","0.71073","MoKα","","0.2114","0.0623","","","0.1684","0.2177","","","","","","0.893","","","","has coordinates,has disorder","180221","2020-10-21","18:00:00",""
"7110783","7.6","0.001","18.395","0.001","18.566","0.004","90","","90","","90","","2595.6","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 O5 S4 -","- C27 H27.216 O5 S4 -","- C108 H108.864 O20 S16 -","4","1","","Bryce, Martin R.; Batsanov, Andrei S.; Finn, Terry; Hansen, Thomas K.; Howard, Judith A. K.; Kamenjicki, Marta; Lednev, Igor K.; Asher, Sanford A.","Crown-annelated 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene derivatives: a new efficient transducer in the electrochemical and spectroscopic monitoring of metal complexation","Chemical Communications","2000","","4","295","","10.1039/a908716h","","","0.71073","MoKα","","0.0453","0.0378","","0.0827","0.0743","","","","1.175","1.146","1.146","","","","","has coordinates,has disorder","180221","2020-10-21","18:00:00",""
"7110804","25.399","0.005","34.717","0.005","25.74","0.03","90","","90","","90","","22697","3","100","","100","","","","","","","","synthesis (from BACHEM)","5","P 21 21 21","P 2ac 2ab","19","BQ123","Endothelin inhibitor BQ123 Na: cyclo(-D-Trp-D-Asp-Pro-D-Val-Leu-),Na","","- C148 H248 N24 Na4 O46 -","- C144.888 H222.368 N25 Na4 O45.376 -","- C579.552 H889.472 N100 Na16 O181.504 -","4","1","","Doi, Mitsunobu; Ishida, Toshimasa; Katsuya, Yoshio; Mezaki, Yoshihiro; Sasaki, Masahiro; Terashima, Akira; Taniguchi, Taizo; Hasegawa, Hiroshi; Shiono, Masaaki","Unique sodium-caged structure of a potent endothelin-1 inhibitor: crystal structure of BQ123 sodium salt, cyclo(-d-Trp-d-Asp−-Pro-d-Val-Leu-)·Na+","Chemical Communications","2000","","9","743","","10.1039/a909413j","","","0.834","doublemonochromatedbeam","","0.0918","0.0845","","","0.2146","0.2241","","","","","","1.044","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110820","8.762","0.001","14.942","0.002","23.472","0.004","90","","90","","90","","3073","0.8","218","2","218","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Tetra(p-bromophenyl)ethylene * xylene (3)","","- C34 H26 Br4 -","- C34 H26 Br4 -","- C136 H104 Br16 -","4","1","","Tanaka, Koichi; Fujimoto, Daisuke; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio","Chiral inclusion crystallization of tetra(p-bromophenyl)ethylene by exposure to the vapor of achiral guest molecules: a novel racemic-to-chiral transformation through gas‒solid reaction","Chemical Communications","2000","","5","413","","10.1039/a909782a","","","0.71073","MoK?a","","0.136","0.047","","","0.096","0.128","","","","","","1.063","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110827","6.517","0.0001","11.5188","0.0004","26.6955","0.0008","90","","90","","90","","2003.98","0.1","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O6 Si -","- C19 H30 O6 Si -","- C76 H120 O24 Si4 -","4","1","","Bond, Silas; Perlmutter, Patrick","The vitamin C route to the ciguatoxins: enantioselective synthesis of a ring F building block","Chemical Communications","2000","","7","567","","10.1039/a910163m","","","0.71073","MoKα","","0.134","0.0532","","","0.0793","0.0978","","","","","","1.01","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110863","6.271","0.001","10.9937","0.0011","24.771","0.005","90","","90","","90","","1707.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Meth-Cohn, Otto; Chen, Yi; Williams, David J.","Enantiopure epoxidation of electrophilic alkenes","Chemical Communications","2000","","6","495","","10.1039/b000520g","","","1.54178","CuKα","","0.1245","0.0657","","0.2087","0.1511","","","","1.049","1.11","1.11","","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110865","8.4556","0.0002","11.4227","0.0002","11.4637","0.0002","90","","90","","90","","1107.23","0.04","123","1","123","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(-)-Nemorensic Acid","","","- C10 H16 O5 -","- C10 H16 O5 -","- C40 H64 O20 -","4","1","","Donohoe, Timothy J.; Guillermin, Jean-Baptiste; Frampton, Christopher; Walter, Daryl S.","The synthesis of (+)-nemorensic acid","Chemical Communications","2000","","6","465","","10.1039/b000565g","","","0.71073","MoKα","","0.0274","0.0264","","","0.0768","0.0773","","","","","","1.001","","","","has coordinates","180222","2020-10-21","18:00:00",""
"7110903","8.353","0.001","13.317","0.001","23.533","0.001","90","","90","","90","","2617.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 O2 Si -","- C31 H30 O2 Si -","- C124 H120 O8 Si4 -","4","1","","Jankowski, Paweł; Wicha, Jerzy; Zarecki, Andrzej; Schaumann, Ernst; Adiwidjaja, Gunadi; Asztemborska, Monika","Preparation of optically active n-butyl(methyl)phenyl-, tert-butyl(methyl)phenyl- and isopropyl(methyl)phenylsilanes from the corresponding silyl chlorides using 2,2′-dihydroxy-1,1′-binaphthyls as resolving agents","Chemical Communications","2000","","12","1029","","10.1039/b001440k","","","1.54184","CuKα","","0.0356","0.0356","","","0.1063","0.1063","","","","","","0.561","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7110911","13.3036","0.0019","19.602","0.004","23.287","0.004","90","","90","","90","","6072.7","1.8","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72.76 H50.76 Cl4.27 O5 P2 Pt -","- C72.756 H50.756 Cl4.268 O5 P2 Pt -","- C291.024 H203.024 Cl17.072 O20 P8 Pt4 -","4","1","","Gillon, Amy; Heslop, Katie; Hyett, David J.; Martorell, Aina; Orpen, A. Guy; Pringle, Paul G.; Claver, Carmen; Fernandez, Elena","Biarylphosphonites: a class of monodentate phosphorus(iii) ligands that outperform their chelating analogues in asymmetric hydrogenation catalysis","Chemical Communications","2000","","11","961","","10.1039/b001638l","","","0.71073","MoKα","","0.0731","0.0445","","","0.0853","0.0937","","","","","","0.973","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7110912","14.8155","0.0016","19.132","0.003","23.69","0.002","90","","90","","90","","6714.9","1.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H50 Cl8 O7 P2 Pt -","- C72 H50 Cl8 O7 P2 Pt -","- C288 H200 Cl32 O28 P8 Pt4 -","4","1","","Gillon, Amy; Heslop, Katie; Hyett, David J.; Martorell, Aina; Orpen, A. Guy; Pringle, Paul G.; Claver, Carmen; Fernandez, Elena","Biarylphosphonites: a class of monodentate phosphorus(iii) ligands that outperform their chelating analogues in asymmetric hydrogenation catalysis","Chemical Communications","2000","","11","961","","10.1039/b001638l","","","0.71073","MoKα","","0.0784","0.0498","","","0.0997","0.1122","","","","","","1.043","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7110956","7.6677","0.0006","11.419","0.001","21.001","0.001","90","","90","","90","","1838.8","0.2","200","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-bromobarekoxide","","- C20 H33 Br O -","- C20 H33 Br O -","- C80 H132 Br4 O4 -","4","1","","Kuniyoshi, Masayuki; Marma, Mong S.; Higa, Tatsuo; Bernardinelli, Gérald; Jefford, Charles W.","3-Bromobarekoxide, an unusual diterpene from Laurencia luzonensis","Chemical Communications","2000","","13","1155","","10.1039/b002530p","","","1.54183","CuKα","","","0.031","","","","0.03","","","","","","2.669","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110969","7.462","0.007","11.991","0.003","21.169","0.007","90","","90","","90","","1894.1","1.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 B Cl F4 Fe O2 -","- C18 H18 B Cl F3.5 Fe O2 -","- C72 H72 B4 Cl4 F14 Fe4 O8 -","4","1","","Ferré, Karine; Le Mignot, Philippe; Guerchais, Véronique; Sinbandhit, Sourisak; Toupet, Loïc","Regioselective iron-mediated C‒C coupling reactions: role of the iodide anion","Chemical Communications","2000","","15","1405","","10.1039/b002921l","","","0.71069","MoKα","","0.1519","0.0798","","0.2501","0.2063","","","","1.019","1.019","1.019","","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7110972","10.338","0.0006","13.956","0.0007","20.852","0.0011","90","","90","","90","","3008.5","0.3","293","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","[Al(L-1)Me2]","","- C29 H54 Al N3 O -","- C29 H54 Al N3 O -","- C116 H216 Al4 N12 O4 -","4","1","","Robson, David A.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin","An unprecedented coordination mode for hemilabile pendant-arm 1,4,7-triazacyclononanes and the synthesis of cationic organoaluminium complexes","Chemical Communications","2000","","14","1269","","10.1039/b003019h","","","0.71073","MoKα","","0.0746","0.0715","","0.1466","0.1446","","","","1.41","1.421","1.421","","","","","has coordinates","180223","2020-10-21","18:00:00",""
"7111016","12.143","0.007","21.64","0.01","11.97","0.03","90","","90","","90","","3145","8","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 Cl6 N8 O2.75 -","- C18 H54 Cl6 N8 O2.75 -","- C72 H216 Cl24 N32 O11 -","4","1","","Hossain, Md. Alamgir; Llinares, José M.; Miller, Cynthia A.; Seib, Larry; Bowman-James, Kristin","Further insight to selectivity issues in halide binding in a tiny octaazacryptand","Chemical Communications","2000","","22","2269","","10.1039/b004167j","","","1.5418","CuKα","","0.1555","0.064","","0.069","","0.059","","","1.396","","","1.57","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111065","7.517","0.001","10.144","0.001","22.79","0.003","90","","90","","90","","1737.8","0.4","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Cl3 N3 Zr -","- C12 H26 Cl3 N3 Zr -","- C48 H104 Cl12 N12 Zr4 -","4","1","","Giesbrecht, Garth R.; Shafir, Alex; Arnold, John","Zirconium complexes of a tacn-derived amido ligand and ring-opening to form a new diamido-amino pincer","Chemical Communications","2000","","21","2135","","10.1039/b005675h","","","0.7107","MoKalpha","","0.0661","0.0311","","0.0397","0.0316","","","","","0.76","0.76","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111087","11.645","0.003","16.506","0.002","6.074","0.002","90","","90","","90","","1167.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 B N2 -","- C11 H17 B N2 -","- C44 H68 B4 N8 -","4","1","","Charoy, Laurent; Valleix, Alain; Le Gall, Thierry; Pham van Chuong, Paul; Mioskowski, Charles; Toupet, Loïc","Synthesis of benzylcyanoborane adducts of amines and separation of their enantiomers; SN2 substitution at boron atom","Chemical Communications","2000","","22","2275","","10.1039/b006265k","","","0.71069","MoKα","","0.1332","0.0372","","","0.095","0.122","","","","","","0.874","","","","has coordinates","180224","2020-10-21","18:00:00",""
"7111091","10.1071","0.0012","13.1712","0.0017","14.0181","0.0018","90","","90","","90","","1866.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Mo2 N S3 -","- C15 H23 Mo2 N S3 -","- C60 H92 Mo8 N4 S12 -","4","1","","Schollhammer, Philippe; Cabon, Nolwenn; Pétillon, François Y.; Talarmin, Jean; Muir, Kenneth W.","Hydride transfer reactions in dimolybdenum compounds: a simple route to the novel μ-η1∶η1-tetrahydroboride complex [Mo2Cp2(μ-SMe)3(μ-BH4)]","Chemical Communications","2000","","21","2137","","10.1039/b006457m","","","0.71073","MoKα","","0.0732","0.0569","","","0.1466","0.158","","","","","","1.095","","","","has coordinates,has disorder","180224","2020-10-21","18:00:00",""
"7111134","9.987","0.002","13.692","0.003","18.553","0.004","90","","90","","90","","2537","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H41 Li N4 -","- C25 H41 Li N4 -","- C100 H164 Li4 N16 -","4","1","","Andrews, Philip C.; Duggan, Peter J.; Maguire, Melissa; Nichols, Peter J.","Crystal structures of (R,R)-{[Ph(Me)CH]2NLi·pmdeta} and {[PhC(CH2)NH]Na·pmdeta}2: alkali metal amides derived from (R,R)-bis(α-methylbenzyl)amine","Chemical Communications","2001","","1","53","","10.1039/b007482i","","","0.71073","MoKα","","0.1771","0.0911","","","0.1261","0.1509","","","","","","1.101","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111150","12.1515","0.0012","16.0543","0.0012","22.31","0.0006","90","","90","","90","","4352.3","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 Al6 N6 O6 -","- C36 H48 Al6 N6 O6 -","- C144 H192 Al24 N24 O24 -","4","1","","Gibson, Vernon C.; Redshaw, Carl; White, Andrew J. P.; Williams, David J.","Aluminium-containing ring systems and N-heterocycle formation via nitrile insertions into Al‒N bonds","Chemical Communications","2001","","1","79","","10.1039/b007810g","","","1.54178","CuKα","","0.0666","0.0545","","0.1433","0.1333","","","","1.039","1.055","1.055","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111183","9.63","0.002","12.377","0.002","15.402","0.003","90","","90","","90","","1835.8","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","01058","","","- C15 H21 Cl Co N5 O4 -","- C15 H20 Cl Co N5 O4 -","- C60 H80 Cl4 Co4 N20 O16 -","4","1","","Rich, Autumn E.; DeGreeff, Angela D.; McNeill, Kristopher","Synthesis of (chlorovinyl)cobaloxime complexes, model complexes of proposed intermediates in the B12-catalyzed dehalogenation of chlorinated ethylenesElectronic supplementary information (ESI) available: full experimental details and characterization of complexes 1‒3, and X-ray diffraction data. See http://www.rsc.org/suppdata/cc/b1/b109001a/","Chemical Communications","2002","","3","234","","10.1039/b109001a","","","0.71073","MoKα","","0.0397","0.0344","","","0.0893","0.0935","","","","","","1.02","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7111210","7.2353","0.0005","14.7165","0.0011","16.5155","0.0013","90","","90","","90","","1758.5","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 F6 O2 Sb -","- C16 H21 F6 O2 Sb -","- C64 H84 F24 O8 Sb4 -","4","1","","Wakamiya, Atsushi; Nishinaga, Tohru; Komatsu, Koichi","The stable radical cation of thiophene annelated with bicyclo[2.2.2]octene and its reaction with triplet oxygen to give a protonated cation of 2-butene-1,4-dione derivative","Chemical Communications","2002","","11","1192","","10.1039/b201958b","","","0.71073","MoKα","","0.0216","0.0211","","","0.0508","0.051","","","","","","1.047","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111221","4.7031","0.0006","7.2523","0.0009","22.561","0.003","90","","90","","90","","769.52","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 O2 S -","- C8 H10 O2 S -","- C32 H40 O8 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Kennedy, Martina A.; Shepherd, Steven D.; Malone, John F.; Alves-Areias, André; Holt, Robert; Allenmark, Stig G.; Lemurell (née Andersson), Malin A.; Dalton, Howard; Luckarift, Heather","Enzyme-catalysed oxygenation and deoxygenation routes to chiral thiosulfinates","Chemical Communications","2002","","14","1452","","10.1039/b203139f","","","0.71073","MoKα","","0.1014","0.0522","","","0.1039","0.125","","","","","","0.846","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111222","12.3436","0.0007","10.245","0.0006","9.2608","0.0006","90","","90","","90","","1171.12","0.12","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O S2 -","- C10 H14 O S2 -","- C40 H56 O4 S8 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Kennedy, Martina A.; Shepherd, Steven D.; Malone, John F.; Alves-Areias, André; Holt, Robert; Allenmark, Stig G.; Lemurell (née Andersson), Malin A.; Dalton, Howard; Luckarift, Heather","Enzyme-catalysed oxygenation and deoxygenation routes to chiral thiosulfinates","Chemical Communications","2002","","14","1452","","10.1039/b203139f","","","1.5418","CuKα","","0.045","0.0426","","","0.1119","0.1142","","","","","","1.049","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111251","10.1565","0.0009","13.7346","0.0013","27.005","0.003","90","","90","","90","","3767.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 Cl4 Cu3 N4 O18 -","- C24 H40 Cl4 Cu3 N4 O18 -","- C96 H160 Cl16 Cu12 N16 O72 -","4","1","","Du, Miao; Bu, Xian-He; Guo, Ya-Mei; Ribas, Joan; Diaz, Carmen","Proton-controlled inter-conversion between an achiral discrete molecular square and a chiral interpenetrated double-chain architecture","Chemical Communications","2002","","21","2550","","10.1039/b207294g","","","0.71073","MoKα","","0.0943","0.0597","","","0.1518","0.1709","","","","","","1.03","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111252","9.7463","0.0001","18.7721","0.0002","20.4955","0.0002","90","","90","","90","","3749.83","0.07","200","2","200","2","","","","","","","crystals provided by M. Lotz","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H37 Cl Fe O4 P2 Pd -","- C43 H37 Cl Fe O4 P2 Pd -","- C172 H148 Cl4 Fe4 O16 P8 Pd4 -","4","1","","Lotz, Matthias; Kramer, Gernot; Knochel, Paul","Facile axial chirality control by using a precursor with central chirality. Application to the preparation of new axially chiral diphosphine complexes for asymmetric catalysis","Chemical Communications","2002","","21","2546","","10.1039/b207399d","","","0.71073","MoKα","","0.055","0.04","","","0.1006","0.11","","","","","","1.111","","","","has coordinates,has disorder","180226","2020-10-21","18:00:00",""
"7111255","3.9626","0.001","11.962","0.003","18.262","0.005","90","","90","","90","","865.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 N3 S4 -","- C6 H4 N3 S4 -","- C24 H16 N12 S16 -","4","1","","Beer, Leanne; Brusso, Jaclyn L.; Cordes, A. Wallace; Godde, Erika; Haddon, Robert C.; Itkis, Mikhail E.; Oakley, Richard T.; Reed, Robert W.","Structure???property trends in ??-stacked dithiazolo-dithiazolyl conductors","Chemical Communications","2002","","21","2562","","10.1039/b207735n","","","0.7107","MoKα","","0.0338","0.0271","","","0.0579","0.0597","","","","","","1.05","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111257","11.656","0.002","12.06","0.002","16.579","0.003","90","","90","","90","","2330.5","0.7","150","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 O2 P -","- C26 H37 O2 P -","- C104 H148 O8 P4 -","4","1","","Haigh, Robert; Malik, K. M. Abdul; Newman, Paul D.","Chiral pentacyclic phosphines as a new ligand class","Chemical Communications","2002","","21","2558","2559","10.1039/b207937b","","","0.71073","MoKα","","0.0422","0.0365","","","0.0831","0.0858","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111258","12.7814","0.0002","18.9991","0.0003","23.0978","0.0005","90","","90","","90","","5608.96","0.17","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57.75 H80 O6 P2 Pd2 -","- C57.75 H80 O6 P2 Pd2 -","- C231 H320 O24 P8 Pd8 -","4","1","","Haigh, Robert; Malik, K. M. Abdul; Newman, Paul D.","Chiral pentacyclic phosphines as a new ligand class","Chemical Communications","2002","","21","2558","2559","10.1039/b207937b","","","0.71073","MoKα","","0.0602","0.0456","","","0.0944","0.1012","","","","","","1.089","","","","has coordinates","180226","2020-10-21","18:00:00",""
"7111303","17.4433","0.0009","17.9331","0.0009","27.953","0.0014","90","","90","","90","","8744","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H33 I2 N4 O2.5 Rh -","- C40 H29 I2 N4 O2.5 Rh -","- C320 H232 I16 N32 O20 Rh8 -","8","2","","Duan, Wei-Liang; Shi, Min; Rong, Guo-Bin","Synthesis of novel axially chiral Rh?NHC complexes derived from BINAM and application in the enantioselective hydrosilylation of methyl ketonesElectronic supplementary information (ESI) available: 13C NMR and 1H NMR spectral and analytic data for compounds 2?7, reduction products, and chiral HPLC and GC charts for sec-alcohols 9a?m. See http://www.rsc.org/suppdata/cc/b3/b309185f/","Chemical Communications","2003","","23","2916","","10.1039/b309185f","","","0.71073","MoKα","","0.1872","0.0663","","","0.1599","0.194","","","","","","0.834","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111304","12.1794","0.0019","19.027","0.003","20.291","0.003","90","","90","","90","","4702.2","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H50 I2 N4 Rh2 -","- C52 H50 I2 N4 Rh2 -","- C208 H200 I8 N16 Rh8 -","4","1","","Duan, Wei-Liang; Shi, Min; Rong, Guo-Bin","Synthesis of novel axially chiral Rh?NHC complexes derived from BINAM and application in the enantioselective hydrosilylation of methyl ketonesElectronic supplementary information (ESI) available: 13C NMR and 1H NMR spectral and analytic data for compounds 2?7, reduction products, and chiral HPLC and GC charts for sec-alcohols 9a?m. See http://www.rsc.org/suppdata/cc/b3/b309185f/","Chemical Communications","2003","","23","2916","","10.1039/b309185f","","","0.71073","MoKα","","0.1068","0.065","","","0.1363","0.1505","","","","","","0.943","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111315","9.0002","0.0001","14.1519","0.0003","16.6811","0.0003","90","","90","","90","","2124.67","0.06","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Cl N O2 -","- C24 H26 Cl N O2 -","- C96 H104 Cl4 N4 O8 -","4","1","","Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio","A novel transformation of a 1 : 1 : 1 racemic complex of 2,2?-dihydroxy-1,1?-binaphthyl, Me4N+ Cl? and MeOH into a conglomerate in the solid state by heating or contact with MeOH vapour","Chemical Communications","2004","","16","1844","1845","10.1039/b404297b","","","0.7107","MoKα","","","0.0434","","","","0.1632","","","","","","2.269","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7111316","6.54","0.007","19.97","0.02","20","0.02","90","","90","","90","","2612","5","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-N-(3-buthoxycarbonyl-1-isopropyl)-2,3:5,6-bis-O- isopropylidene-D-mannose-imine N-oxide","","- C23 H41 N O8 -","- C23 H41 N O8 -","- C92 H164 N4 O32 -","4","1","","Johannesen, Sine A.; Albu, Silvia; Hazell, Rita G.; Skrydstrup, Troels","Radical addition of nitrones to acrylates mediated by SmI2: asymmetric synthesis of ?-amino acids employing carbohydrate-based chiral auxiliariesElectronic Supplementary Information (ESI) available: crystallographic data of 2b and 4a, experimental procedure and spectral data. See http://www.rsc.org/suppdata/cc/b4/b405141f/","Chemical Communications","2004","","17","1962","1963","10.1039/b405141f","","","0.71073","MoKα","","","0.049","","","","0.047","","","","","","1.235","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7111317","5.379","0.001","15.901","0.003","27.782","0.006","90","","90","","90","","2376.2","0.8","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-buthoxycarbonyl-1-cyclohexylpropyl)-2,3-O- isopropylidene-5-deoxy-D-ribose-imine N-oxide","","- C22 H39 N O6 -","- C22 H39 N O6 -","- C88 H156 N4 O24 -","4","1","","Johannesen, Sine A.; Albu, Silvia; Hazell, Rita G.; Skrydstrup, Troels","Radical addition of nitrones to acrylates mediated by SmI2: asymmetric synthesis of ?-amino acids employing carbohydrate-based chiral auxiliariesElectronic Supplementary Information (ESI) available: crystallographic data of 2b and 4a, experimental procedure and spectral data. See http://www.rsc.org/suppdata/cc/b4/b405141f/","Chemical Communications","2004","","17","1962","1963","10.1039/b405141f","","","0.71073","MoKα","","","0.048","","","","0.054","","","","","","1.247","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7111318","13.2114","0.0001","17.1528","0.0002","17.744","0.0002","90","","90","","90","","4021.01","0.07","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H42 Cl2 Co P Pd S -","- C49 H42 Cl2 Co P Pd S -","- C196 H168 Cl8 Co4 P4 Pd4 S4 -","4","1","","G�mez Array�s, Ram�n; Garc�a Manche�o, Olga; Carretero, Juan C.","First planar chiral bidentate ligand based on a (?5-cyclopentadienyl)(?4-cyclobutadiene) cobalt backbone: high efficiency in enantioselective palladium-catalyzed allylic substitutionsElectronic supplementary information (ESI) available: crystal data and experimental details. See http://www.rsc.org/suppdata/cc/b4/b405342g/","Chemical Communications","2004","","14","1654","1655","10.1039/b405342g","","","1.54178","CuKα","","0.0351","0.0315","","","0.0744","0.0765","","","","","","1.032","","","","has coordinates","180227","2020-10-21","18:00:00",""
"7111322","16.929","0.01","17.29","0.01","8.511","0.008","90","","90","","90","","2491","3","173.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 B N2 -","- C27 H39 B N2 -","- C108 H156 B4 N8 -","4","1","","Yamaguchi, Yoshitaka; Kashiwabara, Taigo; Ogata, Kenichi; Miura, Yumiko; Nakamura, Yoshiyuki; Kobayashi, Kimiko; Ito, Takashi","Synthesis and reactivity of triethylborane adduct of N-heterocyclic carbene: versatile synthons for synthesis of N-heterocyclic carbene complexes","Chemical Communications","2004","","19","2160","2161","10.1039/b405459h","","","0.7107","MoKα","","","0.0618","","","","0.1732","","","","","","1.464","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111379","13.5262","0.0003","19.7791","0.0005","21.9184","0.0006","90","","90","","90","","5864","0.3","123.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C71 H59 N7 O3 Ru -","- C71 H59 N7 O3 Ru -","- C284 H236 N28 O12 Ru4 -","4","1","","Omura, Kazufumi; Uchida, Tatsuya; Irie, Ryo; Katsuki, Tsutomu","Design of a robust Ru(salen) complex: aziridination with improved turnover number using N-arylsulfonyl azides as precursorsElectronic supplementary information (ESI) available: typical experimental procedures, determination of enantiomeric excess and elementary analysis for complexes 3 and 5. See http://www.rsc.org/suppdata/cc/b4/b407693a/","Chemical Communications","2004","","18","2060","2061","10.1039/b407693a","","","0.7107","MoKα","","","0.0591","","","","0.1598","","","","","","0.973","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111381","9.3392","0.0002","11.9326","0.0002","12.7412","0.0003","90","","90","","90","","1419.89","0.05","200","","200","","","","","","","","?","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 B Cl N4 O S2 -","- C9 H16 B Cl N4 O S2 -","- C36 H64 B4 Cl4 N16 O4 S8 -","4","1","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.; Tshabang, Never; Willis, Anthony C.","Caveats for poly(methimazolyl)borate chemistry: the novel inorganic heterocycles [H2C(mt)2BR2]Cl (mt = methimazolyl; BR2 = BH2, BH(mt), 9?BBN)","Chemical Communications","2004","","16","1878","1879","10.1039/b407733d","","","0.71073","MoKα","","0.0299","0.0261","","0.0288","0.0267","0.0267","","","","","","1.1151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7111403","16.2051","0.0001","16.287","0.0001","30.0989","0.0003","90","","90","","90","","7944.08","0.11","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin trihydrate","heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin trihydrate","","- C63 H118 O38 -","- C63 H106 O37.86 -","- C252 H424 O151.44 -","4","1","","Caira, Mino R.; Bourne, Susan A.; Mhlongo, Welcome T.; Dean, Pamela M.","New crystalline forms of permethylated ?-cyclodextrin","Chemical Communications","2004","","19","2216","2217","10.1039/b408660k","","","0.71073","MoKα","","0.082","0.0632","","","0.1621","0.176","","","","","","1.026","","","","has coordinates,has disorder","180228","2020-10-21","18:00:00",""
"7111404","15.9509","0.0001","16.5772","0.0001","28.9413","0.0002","90","","90","","90","","7652.69","0.09","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin","heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin","","- C63 H112 O35 -","- C63 H112 O35 -","- C252 H448 O140 -","4","1","","Caira, Mino R.; Bourne, Susan A.; Mhlongo, Welcome T.; Dean, Pamela M.","New crystalline forms of permethylated ?-cyclodextrin","Chemical Communications","2004","","19","2216","2217","10.1039/b408660k","","","0.71073","MoKα","","0.0609","0.0531","","","0.1269","0.1304","","","","","","1.107","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111415","11.84","0.03","7.874","0.007","17.51","0.04","90","","90","","90","","1632","6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Cu3 N6 S3 -","- C12 H9 Cu3 N6 S3 -","- C48 H36 Cu12 N24 S12 -","4","1","","Han, Lei; Hong, Maochun; Wang, Ruihu; Wu, Benlai; Xu, Ying; Lou, Benyong; Lin, Zhengzhong","Red luminescent polymeric cuprous organosulfide generated by solvothermal redox reaction","Chemical Communications","2004","","22","2578","2579","10.1039/b409000d","","","0.71073","MoKα","","0.0759","0.0579","","","0.0962","0.1044","","","","","","1.062","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111417","10.1427","0.0004","11.1134","0.0004","16.1543","0.0006","90","","90","","90","","1820.91","0.12","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl N2 O Ru -","- C19 H23 Cl N2 O Ru -","- C76 H92 Cl4 N8 O4 Ru4 -","4","1","","Munslow, Ian J.; Wade, Andrew R.; Deeth, Robert J.; Scott, Peter","Aminooxazolinate; a chiral amidinate analogue","Chemical Communications","2004","","22","2596","2597","10.1039/b409113b","","","0.71073","MoKα","","0.0598","0.0368","","","0.0608","0.0662","","","","","","0.933","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111418","10.1903","0.0002","17.3251","0.0004","25.7931","0.0004","90","","90","","90","","4553.72","0.16","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H56 N4 O2 Zr -","- C44 H56 N4 O2 Zr -","- C176 H224 N16 O8 Zr4 -","4","1","","Munslow, Ian J.; Wade, Andrew R.; Deeth, Robert J.; Scott, Peter","Aminooxazolinate; a chiral amidinate analogue","Chemical Communications","2004","","22","2596","2597","10.1039/b409113b","","","0.71073","MoKα","","0.1961","0.0892","","","0.1873","0.239","","","","","","1.087","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111472","11.8548","0.0001","17.1035","0.0002","30.8698","0.0004","90","","90","","90","","6259.12","0.12","173","2","173","2","","","","","","","Lahti research lab, UMass-Amherst","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 N2 O2 -","- C21 H28.6667 N2 O2 -","- C252 H344 N24 O24 -","12","3","","Taylor, Patrick; Lahti, Paul M.","Crystallography and magnetism of radicals with hindered hydroxyl groups: 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl and 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl","Chemical Communications","2004","","23","2686","2688","10.1039/b411574k","","","0.71073","MoKα","","0.1122","0.068","","","0.1579","0.1834","","","","","","1.032","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111475","8.6561","0.0008","16.193","0.0015","33.492","0.003","90","","90","","90","","4694.5","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cl2 Cu F6 N2 O2 S -","- C22 H16 Cl2 Cu F6 N2 O2 S -","- C176 H128 Cl16 Cu8 F48 N16 O16 S8 -","8","2","","Do, Loi; Halper, Sara R.; Cohen, Seth M.","Helical coordination polymers and cyclic dimers formed from heteroleptic thioether-dipyrrinato copper(ii) complexes","Chemical Communications","2004","","23","2662","2663","10.1039/b411991f","","","0.71073","MoKα","","0.0518","0.0476","","","0.115","0.1178","","","","","","1.112","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111492","11.0977","0.0006","16.4934","0.001","18.7071","0.0011","90","","90","","90","","3424.1","0.3","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3,3'-(phenanthrenol imine)-2,2'-binaphthyl","3,3'-(phenanthrenol imine)-2,2'-binaphthyl","","- C50 H32 N2 O2 -","- C50 H32 N2 O2 -","- C200 H128 N8 O8 -","4","1","","Wiznycia, Alexander V.; Desper, John; Levy, Christopher J.","Iron(ii) and zinc(ii) monohelical binaphthyl salen complexes","Chemical Communications","2005","","37","4693","4695","10.1039/b508538a","","","0.71073","MoKα","","0.0646","0.0488","","","0.1102","0.1182","","","","","","1.046","","","","has coordinates","180228","2020-10-21","18:00:00",""
"7111493","12.3373","0.0004","13.341","0.0005","23.6254","0.0008","90","","90","","90","","3888.5","0.2","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2,2'-bis(2-(1-oxy-2-phenanthrenyl)-1-azaethenyl)(1,1'- binaphthyl)zinc(ii)","2,2'-bis(2-(1-oxy-2-phenanthrenyl)-1-azaethenyl)(1,1'-binaphthyl)zinc(II)","","- C52 H36.75 Cl0.5 N2 O3.75 Zn -","- C52 H36.75 Cl0.5 N2 O3.75 Zn -","- C208 H147 Cl2 N8 O15 Zn4 -","4","1","","Wiznycia, Alexander V.; Desper, John; Levy, Christopher J.","Iron(ii) and zinc(ii) monohelical binaphthyl salen complexes","Chemical Communications","2005","","37","4693","4695","10.1039/b508538a","","","0.71073","MoKα","","0.0492","0.0348","","","0.0808","0.0874","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7111504","8.587","0.003","11.452","0.002","15.08","0.004","90","","90","","90","","1482.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 14","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C64 H68 N4 O8 S4 -","4","1","","Bew, Sean P.; Hughes, David L.; Savic, Vladimir; Soapi, Katy M.; Wilson, Martin A.","Expedient synthesis of substituted (S)-N-(?-methylbenzyl)aziridines","Chemical Communications","2006","","33","3513","3515","10.1039/b606033a","","","0.71069","Mo-Kα","","0.0397","0.0368","","","0.0913","0.0941","","","","","","1.058","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111524","10.343","0.005","12.962","0.005","18.23","0.005","90","0.005","90","0.005","90","0.005","2444","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Br O4 S -","- C27 H25 Br O4 S -","- C108 H100 Br4 O16 S4 -","4","1","","Rigby, Caroline L.; Dixon, Darren J.","Enantioselective organocatalytic Michael additions to acrylic acid derivatives: generation of all-carbon quaternary stereocentres","Chemical Communications","2008","","32","3798","3800","10.1039/b805233f","","","0.71069","MoKα","","0.0831","0.0437","","","0.067","0.0738","","","","","","0.771","","","","has coordinates","180229","2020-10-21","18:00:00",""
"7111600","13.412","0.003","21.783","0.005","27.323","0.006","90","","90","","90","","7983","3","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C85 H84 N6 O16 Rh2 -","- C85 H84 N6 O16 Rh2 -","- C340 H336 N24 O64 Rh8 -","4","1","","DeAngelis, Andrew; Boruta, David T.; Lubin, Jean-Bernard; Plampin, III, James N.; Yap, Glenn P. A.; Fox, Joseph M.","The chiral crown conformation in paddlewheel complexes","Chemical Communications","2010","46","25","4541","4543","10.1039/c001557a","","","0.71073","MoKα","","0.0317","0.0297","","","0.0748","0.0772","","","","","","1.028","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111609","6.3145","0.0001","9.345","0.0001","17.4458","0.0003","90","","90","","90","","1029.46","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 Cu N2 -","- C9 H17 Cu N2 -","- C36 H68 Cu4 N8 -","4","1","","Ley, Amanda N.; Dunaway, Lars E.; Brewster, Timothy P.; Dembo, Matthew D.; Harris, T. David; Baril-Robert, François; Li, Xiaobo; Patterson, Howard H.; Pike, Robert D.","Reversible luminescent reaction of amines with copper(i) cyanide","Chemical Communications","2010","46","25","4565","4567","10.1039/c002351e","","","1.54178","CuKα","","0.0165","0.0164","","","0.0439","0.044","","","","","","1.154","","","","has coordinates,has disorder","180230","2020-10-21","18:00:00",""
"7111613","8.6557","0.0002","16.552","0.0004","17.2948","0.0004","90","","90","","90","","2477.81","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 Cu2 N5 -","- C23 H27 Cu2 N5 -","- C92 H108 Cu8 N20 -","4","1","","Ley, Amanda N.; Dunaway, Lars E.; Brewster, Timothy P.; Dembo, Matthew D.; Harris, T. David; Baril-Robert, François; Li, Xiaobo; Patterson, Howard H.; Pike, Robert D.","Reversible luminescent reaction of amines with copper(i) cyanide","Chemical Communications","2010","46","25","4565","4567","10.1039/c002351e","","","1.54178","CuKα","","0.0219","0.0217","","","0.0573","0.0574","","","","","","1.063","","","","has coordinates,has disorder","180230","2020-10-21","18:00:00",""
"7111641","7.4385","0.0003","11.2805","0.0004","19.1852","0.0008","90","","90","","90","","1609.83","0.11","105","","105","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br I N3 -","- C16 H17 Br I N3 -","- C64 H68 Br4 I4 N12 -","4","1","","Banert, Klaus; Hagedorn, Manfred; Wutke, Jens; Ecorchard, Petra; Schaarschmidt, Dieter; Lang, Heinrich","Elusive ethynyl azides: trapping by 1,3-dipolar cycloaddition and decomposition to cyanocarbenes","Chemical Communications","2010","46","23","4058","","10.1039/c0cc00079e","","","0.71073","MoKα","","0.0275","0.0245","","","0.0503","0.0508","","","","","","0.964","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111651","6.3328","0.0002","9.3463","0.0003","28.2033","0.001","90","","90","","90","","1669.3","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 O2 P -","- C19 H21 O2 P -","- C76 H84 O8 P4 -","4","1","","Wen, Shigang; Li, Pengfei; Wu, Haibo; Yu, Feng; Liang, Xinmiao; Ye, Jinxing","Enantioselective organocatalytic phospha-Michael reaction of α,β-unsaturated ketones","Chemical Communications","2010","46","26","4806","4808","10.1039/c0cc00094a","","","0.71073","MoKα","","0.0309","0.0302","","","0.0775","0.0781","","","","","","1.097","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111658","18.076","0.006","18.275","0.006","18.908","0.006","90","","90","","90","","6246","4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H70 Cl2 Mn N6 O28 -","- C54 H42 Cl2 Mn N6 O28 -","- C216 H168 Cl8 Mn4 N24 O112 -","4","1","","Jin, Xu-Hui; Sun, Jian-Ke; Xu, Xi-Ming; Li, Zhao-Hui; Zhang, Jie","Conformational and photosensitive adjustment of the 4,4′-bipyridinium in Mn(ii) coordination complexes","Chemical Communications","2010","46","26","4695","4697","10.1039/c0cc00135j","","","0.71073","MoKα","","0.11","0.0892","","","0.2361","0.2647","","","","","","1.034","","","","has coordinates","180230","2020-10-21","18:00:00",""
"7111741","6.3371","0.0016","11.773","0.003","17.66","0.005","90","","90","","90","","1317.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br N O3 -","- C13 H12 Br N O3 -","- C52 H48 Br4 N4 O12 -","4","1","","Yu, Feng; Sun, Xiaomin; Jin, Zhichao; Wen, Shigang; Liang, Xinmiao; Ye, Jinxing","Enantioselective Michael addition of ketones to maleimides catalyzed by bifunctional monosulfonyl DPEN salt","Chemical Communications","2010","46","25","4589","4591","10.1039/c0cc00774a","","","0.71073","MoKα","","0.0693","0.0472","","","0.1081","0.1152","","","","","","0.902","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111764","9.138","0.004","11.325","0.005","19.715","0.008","90","","90","","90","","2040.3","1.5","293","","294","","","","","","","","sublimation at 260 degs C","4","P 21 21 21","P 2ac 2ab","19","cylo-bis((L)-prolyl-alpha-6-amino-2-picolinyl)","cylo-bis[(L)-prolyl-alpha-6-amino-2-picolinyl]","","- C22 H22 N6 O4 -","- C22 H22 N6 O4 -","- C88 H88 N24 O16 -","4","1","","Krause, Martin R.; Goddard, Richard; Kubik, Stefan","Formation of a cyclic tetrapeptide mimic by thermal azide‒alkyne 1,3-dipolar cycloaddition","Chemical Communications","2010","46","29","5307","5309","10.1039/c0cc01154a","","","1","synchrotron","","0.0535","0.0496","","","0.1297","0.1342","","","","","","1.035","","","","has coordinates,has disorder","180231","2020-10-21","18:00:00",""
"7111770","13.4624","0.0014","15.2237","0.0016","16.9018","0.0018","90","","90","","90","","3464","0.6","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Ag2 F6 N4 O4 -","- C32 H28 Ag2 F6 N4 O4 -","- C128 H112 Ag8 F24 N16 O16 -","4","1","","Georgiev, Ivan G.; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Stereospecific and quantitative photodimerisation of terminal olefins in the solid state","Chemical Communications","2010","46","27","4956","4958","10.1039/c0cc01184c","","","0.71073","MoKα","","0.0755","0.0475","","","0.1352","0.1476","","","","","","1.103","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111771","12.8602","0.0014","15.1102","0.0016","17.017","0.0018","90","","90","","90","","3306.7","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Ag2 F6 N4 O4 -","- C32 H28 Ag2 F6 N4 O4 -","- C128 H112 Ag8 F24 N16 O16 -","4","1","","Georgiev, Ivan G.; Bučar, Dejan-Krešimir; MacGillivray, Leonard R.","Stereospecific and quantitative photodimerisation of terminal olefins in the solid state","Chemical Communications","2010","46","27","4956","4958","10.1039/c0cc01184c","","","0.71073","MoKα","","0.0358","0.0277","","","0.0862","0.1051","","","","","","1.012","","","","has coordinates","180231","2020-10-21","18:00:00",""
"7111839","9.7786","0.0015","15.903","0.003","17.253","0.003","90","","90","","90","","2683","0.8","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 F6 Fe N5 O6 S2 -","- C19 H27 F6 Fe N5 O6 S2 -","- C76 H108 F24 Fe4 N20 O24 S8 -","4","1","","Mainak Mitra; Julio Lloret-Fillol; Matti Haukka; Miquel Costas; Ebbe Nordlander","Evidence that steric factors modulate reactivity of tautomeric iron-oxo species in stereospecific alkane C-H hydroxylation","Chem.Commun.","2014","50","","1408","","10.1039/c3cc47830k","","","0.71073","MoKα","","0.2014","0.113","","","0.1598","0.1883","","","","","","1.164","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111856","6.9698","0.0012","9.5108","0.0016","19.233","0.003","90","","90","","90","","1274.9","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O3 -","- C13 H16 N2 O3 -","- C52 H64 N8 O12 -","4","1","","Raymond C. F. Jones; James P. Bullous; Carole C. M. Law; Mark R. J. Elsegood","New routes towards reutericyclin analogues","Chem.Commun.","2014","50","","1588","","10.1039/c3cc47867j","","","0.71073","MoKα","","0.0364","0.0318","","","0.0757","0.0779","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7111874","12.6165","0.0005","13.1976","0.0004","14.9182","0.0005","90","","90","","90","","2483.99","0.15","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Au Br3 Cl N P -","- C23 H21 Au Br3 Cl N P -","- C92 H84 Au4 Br12 Cl4 N4 P4 -","4","1","","Madeleine Livendahl; Charles Goehry; Feliu Maseras; Antonio M. Echavarren","Rationale for the sluggish oxidative addition of aryl halides to Au(I)","Chem.Commun.","2011","50","","1533","","10.1039/c3cc48914k","","","0.71073","MoKα","","0.0339","0.0326","","","0.0807","0.0814","","","","","","1.042","","","","has coordinates","288243","2023-12-12","09:57:15",""
"7111886","5.0949","0.0002","12.0655","0.0004","24.209","0.0007","90","","90","","90","","1488.19","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O4 S -","- C15 H17 N O4 S -","- C60 H68 N4 O16 S4 -","4","1","","Sze Kui Lam; Sarah Lam; Wing-Tak Wong; Pauline Chiu","Intermolecular (4+3) cycloadditions of aziridinyl enolsilanes","Chem.Commun.","2014","50","","1738","","10.1039/c3cc48266a","","","0.71073","MoKα","","0.0417","0.0336","","","0.073","0.0772","","","","","","1.067","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111889","5.7688","0.0014","8.478","0.002","48.065","0.012","90","","90","","90","","2350.8","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C112 H116 N4 O12 -","4","1","","Joydeb Majumder; Jolly Deb; Mahua Rani Das; Siddhartha Sankar Jana; Parthasarathi Dastidar","Designing a simple organic salt-based supramolecular topical gel capable of displaying in vivo self-delivery application","Chem.Commun.","2014","50","","1671","","10.1039/c3cc48513g","","","0.71073","MoKα","","0.1564","0.0632","","","0.1512","0.2094","","","","","","1.015","","","","has coordinates","180232","2020-10-21","18:00:00",""
"7111953","7.5547","0.0012","15.716","0.003","15.716","","90","","90","","90","","1866","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N4 O4 -","- C22 H19 N4 O4 -","- C88 H76 N16 O16 -","4","1","","Qi-Long Peng; Shi-Peng Luo; Xiao-Er Xia; Liang-Xian Liu; Pei-Qiang Huang","The four-step total synthesis of (‒)-chaetominine","Chem.Commun.","2014","50","","1986","","10.1039/c3cc48833k","","","0.71073","MoKα","","0.0422","0.0398","","","0.1146","0.1173","","","","","","0.985","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7111978","10.5563","0.0006","13.0186","0.0006","18.3454","0.001","90","","90","","90","","2521.2","0.2","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H24 O4 -","- C33 H24 O4 -","- C132 H96 O16 -","4","1","","Weiliang Chen; Lili Lin; Yunfei Cai; Yong Xia; Weidi Cao; Xiaohua Liu; Xiaoming Feng","Catalytic asymmetric [3+2] cycloaddition of aromatic aldehydes with oxiranes by C-C bond cleavage of epoxides: highly efficient synthesis of chiral 1,3-dioxolanes","Chem.Commun.","2014","50","","2161","","10.1039/c3cc48606k","","","0.71073","MoKα","","0.0405","0.0318","","","0.0661","0.0705","","","","","","1.037","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7111985","11.8142","0.0007","14.0221","0.0008","15.3593","0.0009","90","","90","","90","","2544.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Br2 N O6 -","- C26 H23 Br2 N O6 -","- C104 H92 Br8 N4 O24 -","4","1","","Lin Qiu; Xin Guo; Chaoqun Ma; Huang Qiu; Shunying Liu; Liping Yang; Wenhao Hu","Efficient synthesis of chiral cyclic acetals by metal and Bronsted acid co-catalyzed enantioselective four-component cascade reactions","Chem.Commun.","2014","50","","2196","","10.1039/c3cc49063g","","","0.71073","MoKα","","0.041","0.0309","","","0.0686","0.0736","","","","","","1.025","","","","has coordinates","180233","2020-10-21","18:00:00",""
"7112038","9.3949","0.0003","15.4269","0.0005","19.7387","0.0008","90","","90","","90","","2860.81","0.17","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Br N2 O7 -","- C30 H27 Br N2 O7 -","- C120 H108 Br4 N8 O28 -","4","1","","Li Tian; Guo-Qiang Xu; Yun-Han Li; Yong-Min Liang; Peng-Fei Xu","An efficient strategy for the synthesis of polysubstituted chromeno[4,3-b]pyrrolidine derivatives","Chem.Commun.","2014","50","","2428","","10.1039/c3cc49504c","","","0.7107","MoKα","","0.1184","0.0555","","","","0.1234","","","","","","1.0293","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112041","9.785","0.0008","14.3183","0.0011","14.4323","0.0011","90","","90","","90","","2022","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","7K","","","- C20 H17 Br F3 N O3 S -","- C20 H17 Br F3 N O3 S -","- C80 H68 Br4 F12 N4 O12 S4 -","4","1","","Magnus Rueping; Xiangqian Liu; Teerawut Bootwicha; Roman Pluta; Carina Merkens","Catalytic enantioselective trifluoromethylthiolation of oxindoles using shelf-stable N-(trifluoromethylthio)phthalimide and a cinchona alkaloid catalyst","Chem.Commun.","2014","50","","2508","","10.1039/c3cc49877h","","","0.71073","MoKα","","0.0335","0.0301","","","0.0642","0.0653","","","","","","1.073","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112049","5.1024","0.0005","12.3099","0.0012","22.118","0.002","90","","90","","90","","1389.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br N O -","- C17 H12 Br N O -","- C68 H48 Br4 N4 O4 -","4","1","","Avipsa Ghosh; Levi M. Stanley","Enantioselective hydroacylation of N-vinylindole-2-carboxaldehydes","Chem.Commun.","2014","50","","2765","","10.1039/c4cc00210e","","","0.71073","","","0.0263","0.0218","","","0.0503","0.0514","","","","","","0.999","","","","has coordinates","180234","2020-10-21","18:00:00",""
"7112061","11.247","0.003","17.258","0.004","19.487","0.005","90","","90","","90","","3782.4","1.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H34 Cl3 N O2 P S -","- C41 H34 Cl3 N O2 P S -","- C164 H136 Cl12 N4 O8 P4 S4 -","4","1","","Hong-Gang Cheng; Bin Feng; Li-Yan Chen; Wei Guo; Xiao-Ye Yu; Liang-Qiu Lu; Jia-Rong Chen; Wen-Jing Xiao","Rational design of sulfoxide-phosphine ligands for Pd-catalyzed enantioselective allylic alkylation reactions","Chem.Commun.","2014","50","","2873","","10.1039/c3cc49488h","","","0.71073","MoKα","","0.1056","0.0603","","","0.1385","0.1627","","","","","","1.028","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112084","13.32","0.003","17.51","0.004","21.95","0.004","90","","90","","90","","5119.5","1.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16.67 H25.67 Ge N1.67 -","- C16.6667 H25.6667 Ge N1.66667 -","- C200 H308 Ge12 N20 -","12","3","","Yan Li; Kartik Chandra Mondal; Jens Lubben; Hongping Zhu; Birger Dittrich; Indu Purushothaman; Pattiyil Parameswaran; Herbert W. Roesky","A functionalized Ge3-compound with a dual character of the central germanium atom","Chem.Commun.","2014","50","","2986","","10.1039/c3cc49635j","","","0.6199","","","0.0412","0.0406","","","0.1079","0.1084","","","","","","1.052","","","","has coordinates,has disorder","180234","2020-10-21","18:00:00",""
"7112105","9.984","0.002","13.987","0.002","14.11","0.002","90","","90","","90","","1970.4","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl3 N2 Si -","- C18 H23 Cl3 N2 Si -","- C72 H92 Cl12 N8 Si4 -","4","1","","Yan Li; Kartik Chandra Mondal; Peter Stollberg; Hongping Zhu; Herbert W. Roesky; Regine Herbst-Irmer; Dietmar Stalke; Heike Fliegl","Unusual formation of a N-heterocyclic germylene via homolytic cleavage of a C-C bond","Chem.Commun.","2014","50","","3356","","10.1039/c4cc00251b","","","0.71073","MoKα","","0.0334","0.0322","","","0.0856","0.0864","","","","","","1.08","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112106","5.975","0.0002","11.69","0.0003","23.785","0.0005","90","","90","","90","","1661.33","0.08","200","","","","","","","","","","Laboratory at AlderleyPark Ba 001 isomer 2, crystallised from diethyl ether by evaporation","5","P 21 21 21","P 2ac 2ab","19","AZ12576722, AZ SBBG: 2006-10-306","(4R)-4-(4-bromophenyl)-1-(4-methoxyphenyl)-3,3-dimethylazetidin-2-one","","- C18 H18 Br N O2 -","- C18 H18 Br N O2 -","- C72 H72 Br4 N4 O8 -","4","1","","McCoull, William; Augustin, Martin; Blake, Caroline; Ertan, Anne; Kilgour, Elaine; Krapp, Stephan; Moore, Jane E.; Newcombe, Nicholas J.; Packer, Martin J.; Rees, Amanda; Revill, John; Scott, James S.; Selmi, Nidhal; Gerhardt, Stefan; Ogg, Derek J.; Steinbacher, Stefan; Whittamore, Paul R. O.","Identification and optimisation of 3,3-dimethyl-azetidin-2-ones as potent and selective inhibitors of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1)","MedChemComm","2014","5","1","57","","10.1039/c3md00234a","","","0.71073","MoKα","","0.0549","0.037","","","0.0883","0.0941","","","","","","1.054","","","","has coordinates","180235","2020-10-21","18:00:00",""
"7112121","9.6618","0.0001","17.3989","0.0002","25.1987","0.0003","90","","90","","90","","4236.02","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.75 H35.5 Cl2.5 N6 Rh -","- C48.753 H35.506 Cl2.506 N6 Rh -","- C195.012 H142.024 Cl10.024 N24 Rh4 -","4","1","","Juan Olguin; Helge Muller-Bunz; Martin Albrecht","Springloaded porphyrin NHC hybrid rhodium(III) complexes: carbene dissociation and oxidation catalysis","Chem.Commun.","2014","50","","3488","","10.1039/C4CC00497C3","","","0.71073","MoKα","","0.0363","0.0323","","","0.0801","0.0829","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112167","8.1989","0.0006","11.609","0.0007","36.4888","0.0022","90","","90","","90","","3473","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 N4 O3 S Zn -","- C38 H44 N4 O3 S Zn -","- C152 H176 N16 O12 S4 Zn4 -","4","1","","Lenard Hussein; Nibadita Purkait; Mustafa Biyikal; Eugenia Tausch; Peter W. Roesky; Siegfried Blechert","Highly enantioselective hydroamination to six-membered rings by heterobimetallic catalysts","Chem.Commun.","2014","50","","3862","","10.1039/C3CC48874H","","","0.71073","MoKα","","0.1339","0.0657","","","0.123","0.1418","","","","","","0.806","","","","has coordinates,has disorder","180235","2020-10-21","18:00:00",""
"7112244","9.4508","0.0003","12.8668","0.0005","17.0426","0.0005","90","","90","","90","","2072.41","0.12","294.2","0.3","294.2","0.3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Cl3 N2 -","- C22 H15 Cl3 N2 -","- C88 H60 Cl12 N8 -","4","1","","Guoying Zhang; Hui Yu; Guiping Qin; Hanmin Huang","Rh-Catalyzed oxidative C-H activation/annulation: converting anilines to indoles using molecular oxygen as the sole oxidant","Chem.Commun.","2014","50","","4331","","10.1039/C3CC49751H","","","0.7107","MoKα","","0.094","0.0665","","","0.1652","0.194","","","","","","1.041","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112255","9.448","0.0007","14.94","0.001","28.8691","0.0015","90","","90","","90","","4075","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Br N O2 -","- C13 H16 Br N O2 -","- C156 H192 Br12 N12 O24 -","12","3","","Min Zhang; Xiaoming Zhao; Shengcai Zheng","Enantioselective domino reaction of CO2, amines and allyl chlorides under iridium catalysis: formation of allyl carbamates","Chem.Commun.","2014","50","","4455","","10.1039/C4CC00413B","","","1.54178","CuKα","","0.1106","0.1024","","","0.268","0.2743","","","","","","1.118","","","","has coordinates","180236","2020-10-21","18:00:00",""
"7112365","8.7524","0.0004","15.1376","0.0007","15.8697","0.0008","90","","90","","90","","2102.58","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N5 O2 S -","- C20 H25 N5 O2 S -","- C80 H100 N20 O8 S4 -","4","1","","Yan, Xiao-Sheng; Wu, Kun; Yuan, Yuan; Zhan, Ying; Wang, Jin-He; Li, Zhao; Jiang, Yun-Bao","β-Turn structure in glycinylphenylalanine dipeptide based N-amidothioureas","Chemical Communications (Cambridge, United Kingdom)","2013","49","79","8943","8945","10.1039/c3cc44336a","","","0.71073","MoKα","","0.0411","0.036","","","0.104","0.1088","","","","","","0.814","","","","has coordinates","211022","2020-10-21","18:00:00",""
"7112474","6.4505","0.0014","7.7509","0.0017","42.666","0.009","90","","90","","90","","2133.2","0.8","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl O4 -","- C24 H25 Cl O4 -","- C96 H100 Cl4 O16 -","4","1","","Kohsuke Ohmatsu; Mitsunori Ito; Takashi Ooi","Ligand-controlled E/Z selectivity and enantioselectivity in palladium-catalyzed allylation of benzofuranones with 1,2-disubstituted allylic carbonates","Chem.Commun.","2014","50","","4554","","10.1039/C3CC49338E","","","0.71073","MoKα","","0.0506","0.0419","","","0.1125","0.1254","","","","","","0.719","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112475","8.647","0.003","9.403","0.004","24.219","0.009","90","","90","","90","","1969.2","1.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 O5 P -","- C21 H23 O5 P -","- C84 H92 O20 P4 -","4","1","","Kohsuke Ohmatsu; Mitsunori Ito; Takashi Ooi","Ligand-controlled E/Z selectivity and enantioselectivity in palladium-catalyzed allylation of benzofuranones with 1,2-disubstituted allylic carbonates","Chem.Commun.","2014","50","","4554","","10.1039/C3CC49338E","","","0.71073","MoKα","","0.1132","0.079","","","0.2186","0.2896","","","","","","1.192","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112486","9.102","0.003","12.188","0.004","23.505","0.008","90","","90","","90","","2607.5","1.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5DACNH3","","","- C11 H21 N3 O2 -","- C11 H21 N3 O2 -","- C88 H168 N24 O16 -","8","2","","Jonathan P. Moerdyk; Christopher W. Bielawski","Reductive generation of stable, five-membered N,N'-diamidocarbenes","Chem.Commun.","2014","50","","4551","","10.1039/C4CC00846D","","","0.71075","MoKα","","0.0897","0.0851","","","0.1985","0.2025","","","","","","1.006","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112497","12.104","0.005","16.437","0.005","27.634","0.005","90","0.005","90","0.005","90","0.005","5498","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cu2 N2 O10 -","- C24 H34 Cu2 N2 O10 -","- C192 H272 Cu16 N16 O80 -","8","2","","Arjmand, Farukh; Muddassir, Mohd; Zaidi, Yusra; Ray, Debashis","Design, synthesis and crystal structure determination of dinuclear copper-based potential chemotherapeutic drug entities; in vitro DNA binding, cleavage studies and an evaluation of genotoxicity by micronucleus test and comet assay","MedChemComm","2013","4","2","394","","10.1039/c2md20141k","","","0.71069","MoKα","","0.0975","0.0628","","","0.1443","0.1886","","","","","","1.069","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112506","7.929","0.004","12.53","0.004","12.977","0.008","90","","90","","90","","1289.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Cl N2 O -","- C14 H15 Cl N2 O -","- C56 H60 Cl4 N8 O4 -","4","1","","Masciocchi, Daniela; Gelain, Arianna; Porta, Federica; Meneghetti, Fiorella; Pedretti, Alessandro; Celentano, Giuseppe; Barlocco, Daniela; Legnani, Laura; Toma, Lucio; Kwon, Byoung-Mog; Asai, Akira; Villa, Stefania","Synthesis, structure‒activity relationships and stereochemical investigations of new tricyclic pyridazinone derivatives as potential STAT3 inhibitors","MedChemComm","2013","4","8","1181","","10.1039/c3md00095h","","","0.71073","MoKα","","0.0948","0.041","","","0.088","0.1029","","","","","","0.949","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112522","10.334","0.002","11.672","0.002","20.341","0.004","90","","90","","90","","2453.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O9 Zn2 -","- C22 H25 N O9 Zn2 -","- C88 H100 N4 O36 Zn8 -","4","1","","Suh, Kyungwon; Yutkin, Maxim P.; Dybtsev, Danil N.; Fedin, Vladimir P.; Kim, Kimoon","Enantioselective sorption of alcohols in a homochiral metal-organic framework.","Chemical communications (Cambridge, England)","2012","48","4","513","515","10.1039/c1cc16209h","","","0.8","SynchrotronatPohangAcceleratorLaboratory","","0.048","0.0479","","","0.1324","0.1327","","","","","","1.136","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112523","10.337","0.002","11.649","0.002","20.464","0.004","90","","90","","90","","2464.2","0.8","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O9 Zn2 -","- C22 H25 N O9 Zn2 -","- C88 H100 N4 O36 Zn8 -","4","1","","Suh, Kyungwon; Yutkin, Maxim P.; Dybtsev, Danil N.; Fedin, Vladimir P.; Kim, Kimoon","Enantioselective sorption of alcohols in a homochiral metal-organic framework.","Chemical communications (Cambridge, England)","2012","48","4","513","515","10.1039/c1cc16209h","","","0.8","SynchrotronatPohangAcceleratorLaboratory","","0.0483","0.048","","","0.1311","0.1316","","","","","","1.016","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112537","8.5036","0.0015","12.3169","0.001","21.639","0.004","90","","90","","90","","2266.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H19 Br O3 -","- C27 H19 Br O3 -","- C108 H76 Br4 O12 -","4","1","","Ramachary, Dhevalapally B.; Venkaiah, Chintalapudi; Krishna, Patoju Murali","Discovery of 2-aminobuta-1,3-enynes in asymmetric organocascade catalysis: construction of drug-like spirocyclic cyclohexanes having five to six contiguous stereocenters.","Chemical communications (Cambridge, England)","2012","48","16","2252","2254","10.1039/c2cc17219d","","","1.54184","CuKα","","0.0438","0.0355","","","0.0916","0.0964","","","","","","1.051","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112575","6.8535","0.0017","11.759","0.003","24.167","0.008","90","","90","","90","","1947.6","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-((2-(4-(5-(difluoromethyl)-1,2,4-oxadiazol-3-yl)-2- methylpiperazin-1-yl) pyrimidin-5-yloxy)methyl)nicotinonitrile","4-((2-(4-(5-(difluoromethyl)-1,2,4- oxadiazol-3-yl)-2-methylpiperazin-1-yl) pyrimidin-5-yloxy)methyl)nicotinonitrile","","- C19 H18 F2 N8 O2 -","- C19 H18 F2 N8 O2 -","- C76 H72 F8 N32 O8 -","4","1","","Goldberg, Kristin; Groombridge, Sam; Hudson, Julian; Leach, Andrew G.; MacFaul, Philip A.; Pickup, Adrian; Poultney, Ruth; Scott, James S.; Svensson, Per H.; Sweeney, Joseph","Oxadiazole isomers: all bioisosteres are not created equal","MedChemComm","2012","3","5","600","","10.1039/c2md20054f","","","0.71073","MoKα","","0.0411","0.0317","","","0.0848","0.0999","","","","","","1.113","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112618","5.42559","0.00013","12.7257","0.0003","21.3576","0.0005","90","","90","","90","","1474.62","0.06","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br O2 -","- C18 H13 Br O2 -","- C72 H52 Br4 O8 -","4","1","","Takuya Oguma; Tsutomu Katsuki","Iron-catalysed asymmetric tandem spiro-cyclization using dioxygen in air as the hydrogen acceptor","Chem.Commun.","2014","50","","5053","","10.1039/C4CC01555J","","","1.54187","CuKα","","","0.0654","","","","0.2344","","","","","","1.013","","","","has coordinates","180240","2020-10-21","18:00:00",""
"7112643","7.6067","0.0005","16.4862","0.0012","43.712","0.003","90","","90","","90","","5481.7","0.7","100","2","100","2","","","","","","","AstraZeneca","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N5 O5.5 S2 -","- C26 H32 N5 O5.5 S2 -","- C208 H256 N40 O44 S16 -","8","2","","Michael J. Waring; David M. Andrews; Paul F. Faulder; Vikki Flemington; Jennifer C. McKelvie; Sarita Maman; Marian Preston; Piotr Raubo; Graeme R. Robb; Karen Roberts; Rachel Rowlinson; James M. Smith; Martin E. Swarbrick; Iris Treinies; Jon J. G. Winter; Robert J. Wood","Potent, selective small molecule inhibitors of type III phosphatidylinositol-4-kinase alpha- but not beta-inhibit the phosphatidylinositol signaling cascade and cancer cell proliferation","Chem.Commun.","2014","50","","5388","","10.1039/C3CC48391F","","","0.71073","MoKα","","0.0594","0.0569","","","0.1495","0.1517","","","","","","1.115","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7112703","7.507","0.0008","16.0921","0.0017","49.02","0.004","90","","90","","90","","5921.8","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H19 F10 N3 O5 Zn -","- C28 H19 F10 N3 O5 Zn -","- C224 H152 F80 N24 O40 Zn8 -","8","2","","Ding, Yubin; Xie, Yongshu; Li, Xin; Hill, Jonathan P.; Zhang, Weibing; Zhu, Weihong","Selective and sensitive ""turn-on"" fluorescent Zn2+ sensors based on di- and tripyrrins with readily modulated emission wavelengths.","Chemical communications (Cambridge, England)","2011","47","19","5431","5433","10.1039/c1cc11493j","","","0.71073","MoKα","","0.1783","0.1298","","","0.3127","0.3381","","","","","","1.047","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112709","9.0303","0.0002","13.7496","0.0003","25.4242","0.0006","90","","90","","90","","3156.75","0.12","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R-Ru)-(p-cymene)-[kappa '2-(N,N)-{(1R,2R)-N-tosyl-1,2-diphenyl- ethylenediamine}]ruthenium methylsulfonamidate","","- C32 H39 N3 O4 Ru S2 -","- C32 H39 N3 O4 Ru S2 -","- C128 H156 N12 O16 Ru4 S8 -","4","1","","Muñiz, Kilian; Lishchynskyi, Anton; Streuff, Jan; Nieger, Martin; Escudero-Adán, Eduardo C; Belmonte, Marta Martínez","Metal-ligand bifunctional activation and transfer of N-H bonds.","Chemical communications (Cambridge, England)","2011","47","17","4911","4913","10.1039/c1cc10999e","","","0.71073","MoKα","","0.0422","0.0322","","","0.0666","0.0689","","","","","","0.975","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112710","9.0451","0.0001","13.964","0.0001","25.3405","0.0003","90","","90","","90","","3200.65","0.06","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(S-Ru)-(p-cymene)-[kappa '2-(N,N)-{(1R,2R)-N-tosyl-1,2-diphenyl- ethylenediamine}]ruthenium trifluoromethylsulfonamidate","","- C32 H36 F3 N3 O4 Ru S2 -","- C32 H36 F3 N3 O4 Ru S2 -","- C128 H144 F12 N12 O16 Ru4 S8 -","4","1","","Muñiz, Kilian; Lishchynskyi, Anton; Streuff, Jan; Nieger, Martin; Escudero-Adán, Eduardo C; Belmonte, Marta Martínez","Metal-ligand bifunctional activation and transfer of N-H bonds.","Chemical communications (Cambridge, England)","2011","47","17","4911","4913","10.1039/c1cc10999e","","","0.71073","MoKα","","0.033","0.0299","","","0.0645","0.0656","","","","","","1.039","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112729","6.1944","0.0001","11.2496","0.0003","35.8673","0.0008","90","","90","","90","","2499.4","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O8 -","- C26 H34 O8 -","- C104 H136 O32 -","4","1","","Prevatt-Smith, Katherine M; Lovell, Kimberly M.; Simpson, Denise S.; Day, Victor W.; Douglas, Justin T.; Bosch, Peter; Dersch, Christina M.; Rothman, Richard B.; Kivell, Bronwyn; Prisinzano, Thomas E.","Potential Drug Abuse Therapeutics Derived from the Hallucinogenic Natural Product Salvinorin A.","MedChemComm","2011","2","12","1217","1222","10.1039/C1MD00192B","","","1.54178","CuKα","","0.052","0.0458","","","0.1222","0.126","","","","","","1.042","","","","has coordinates,has disorder","180241","2020-10-21","18:00:00",""
"7112734","9.8793","0.0001","11.1873","0.0002","17.448","0.0004","90","","90","","90","","1928.4","0.06","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O4 -","- C19 H26 N2 O4 -","- C76 H104 N8 O16 -","4","1","","Öhrngren, Per; Wu, Xiongyu; Persson, Magnus; Ekegren, Jenny K.; Wallberg, Hans; Vrang, Lotta; Rosenquist, Åsa; Samuelsson, Bertil; Unge, Torsten; Larhed, Mats","HIV-1 protease inhibitors with a tertiary alcohol containing transition-state mimic and various P2 and P1′ substituents","MedChemComm","2011","2","8","701","","10.1039/c1md00077b","","","0.71073","MoKα","","0.0639","0.0471","","","0.1314","0.1451","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7112762","6.9284","0.0001","7.6008","0.0002","31.6931","0.0008","90","","90","","90","","1669","0.07","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O6 -","- C16 H19 N O6 -","- C64 H76 N4 O24 -","4","1","","Raimondi, Wilfried; Lettieri, Grégory; Dulcère, Jean-Pierre; Bonne, Damien; Rodriguez, Jean","One-pot asymmetric cyclocarbohydroxylation sequence for the enantioselective synthesis of functionalised cyclopentanes.","Chemical communications (Cambridge, England)","2010","46","38","7247","7249","10.1039/c0cc01940b","","x-ray","0.71073","MoKα","","0.105","0.0557","","","0.1554","0.1961","","","","","","1.109","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112763","10.918","0.0006","17.1253","0.0014","17.2092","0.0015","90","","90","","90","","3217.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 N0 O16 Zn4 -","- C18 H8 O16 Zn4 -","- C72 H32 O64 Zn16 -","4","1","","Zhang, Zhangjing; Xiang, Shengchang; Rao, Xingtang; Zheng, Qian; Fronczek, Frank R.; Qian, Guodong; Chen, Banglin","A rod packing microporous metal-organic framework with open metal sites for selective guest sorption and sensing of nitrobenzene.","Chemical communications (Cambridge, England)","2010","46","38","7205","7207","10.1039/c0cc01236j","","","0.71073","MoKα","","0.022","0.0208","","","0.054","0.0547","","","","","","1.002","","","","has coordinates","180241","2020-10-21","18:00:00",""
"7112827","5.507","0.003","7.525","0.004","18.773","0.009","90","","90","","90","","778","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 F3 O3 -","- C6 H9 F3 O3 -","- C24 H36 F12 O12 -","4","1","","Bresciani, Stefano; Lebl, Tomas; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorosugars: synthesis of the 2,3,4-trideoxy-2,3,4-trifluoro hexose analogues of D-glucose and D-altrose and assessment of their erythrocyte transmembrane transport.","Chemical communications (Cambridge, England)","2010","46","30","5434","5436","10.1039/c0cc01128b","","","1.54178","CuKα","","0.1892","0.1567","","","0.35","0.3752","","","","","","1.152","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112846","12.282","0.003","14.037","0.003","20.579","0.004","90","","90","","90","","3547.9","1.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H44 Cu N5 -","- C39 H44 Cu N5 -","- C156 H176 Cu4 N20 -","4","1","","Krylova, Valentina A.; Djurovich, Peter I.; Whited, Matthew T.; Thompson, Mark E.","Synthesis and characterization of phosphorescent three-coordinate Cu(I)-NHC complexes.","Chemical communications (Cambridge, England)","2010","46","36","6696","6698","10.1039/c0cc01864c","","","0.71073","MoKα","","0.0476","0.0369","","","0.0787","0.0831","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7112863","8.367","0.004","13.132","0.006","16.078","0.008","90","","90","","90","","1766.6","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","","Dong, Xiu-Qin; Teng, Huai-Long; Tong, Min-Chao; Huang, He; Tao, Hai-Yan; Wang, Chun-Jiang","Organocatalytic asymmetric Michael addition of alpha-aryl cyclopentanones to nitroolefins for construction of adjacent quaternary and tertiary stereocenters.","Chemical communications (Cambridge, England)","2010","46","36","6840","6842","10.1039/c0cc01987a","","","0.71073","MoKα","","0.0447","0.0354","","","0.0869","0.0922","","","","","","1.028","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112864","7.4773","0.0006","11.8993","0.0009","25.2455","0.0019","90","","90","","90","","2246.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O2 S -","- C26 H27 N O2 S -","- C104 H108 N4 O8 S4 -","4","1","","Dong, Xiu-Qin; Teng, Huai-Long; Tong, Min-Chao; Huang, He; Tao, Hai-Yan; Wang, Chun-Jiang","Organocatalytic asymmetric Michael addition of alpha-aryl cyclopentanones to nitroolefins for construction of adjacent quaternary and tertiary stereocenters.","Chemical communications (Cambridge, England)","2010","46","36","6840","6842","10.1039/c0cc01987a","","","0.71073","MoKα","","0.05","0.0364","","","0.0725","0.0787","","","","","","0.977","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112875","7.241","0.003","11.071","0.004","24.144","0.01","90","","90","","90","","1935.5","1.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Br N O5 -","- C18 H22 Br N O5 -","- C72 H88 Br4 N4 O20 -","4","1","","Jiang, Xianxing; Fu, Dan; Zhang, Gen; Cao, Yiming; Liu, Luping; Song, Jingjing; Wang, Rui","Highly diastereo- and enantioselective Mannich reaction of lactones with N-Boc-aldimines catalyzed by bifunctional rosin-derived amine thiourea catalysts.","Chemical communications (Cambridge, England)","2010","46","24","4294","4296","10.1039/c000621a","","","0.71073","MoKα","","0.0725","0.0342","","","0.0661","0.0761","","","","","","0.952","","","","has coordinates","180242","2020-10-21","18:00:00",""
"7112925","7.7184","0.0007","13.2036","0.0013","28.544","0.003","90","","90","","90","","2908.9","0.5","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 N2 O4 -","- C38 H32 N2 O4 -","- C152 H128 N8 O16 -","4","1","","Kawamoto, Masuki; Shiga, Natsuki; Takaishi, Kazuto; Yamashita, Takashi","Non-destructive erasable molecular switches and memory using light-driven twisting motions.","Chemical communications (Cambridge, England)","2010","46","44","8344","8346","10.1039/c0cc02685a","","","0.71073","MoKα","","0.0623","0.0588","","","0.1542","0.157","","","","","","1.166","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7112937","7.8077","0.0009","10.4954","0.0012","21.518","0.003","90","","90","","90","","1763.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","","Chen, Pinhong; Cao, Lidong; Tian, Wenhai; Wang, Xinfeng; Li, Chaozhong","Total synthesis and absolute configuration determination of (+)-subincanadine F.","Chemical communications (Cambridge, England)","2010","46","44","8436","8438","10.1039/c0cc03428b","","","0.71073","MoKα","","0.0535","0.0387","","","0.0831","0.0879","","","","","","0.933","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7112938","6.7852","0.0008","16.4229","0.0018","19.812","0.002","90","","90","","90","","2207.7","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Br N O2 S -","- C20 H26 Br N O2 S -","- C80 H104 Br4 N4 O8 S4 -","4","1","","Liu, Min; Shen, An; Sun, Xing-Wen; Deng, Fei; Xu, Ming-Hua; Lin, Guo-Qiang","Dramatic lithium chloride effect on the reaction stereocontrol in Zn-mediated asymmetric cinnamylation: highly practical synthesis of β-aryl homoallylic amines.","Chemical communications (Cambridge, England)","2010","46","44","8460","8462","10.1039/c0cc03230a","","","0.71073","MoKα","","0.1446","0.062","","","0.1512","0.17","","","","","","0.75","","","","has coordinates","180243","2020-10-21","18:00:00",""
"7113018","7.703","0.0002","7.9309","0.0002","20.122","0.0005","90","","90","","90","","1229.29","0.05","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F3 O3 -","- C13 H9 F3 O3 -","- C52 H36 F12 O12 -","4","1","","Enders, Dieter; Grossmann, André; Fronert, Jeanne; Raabe, Gerhard","N-heterocyclic carbene catalysed asymmetric cross-benzoin reactions of heteroaromatic aldehydes with trifluoromethyl ketones.","Chemical communications (Cambridge, England)","2010","46","34","6282","6284","10.1039/c0cc02013c","","","1.54178","CuKα","","0.025","0.025","","0.032","","0.032","","","1.022","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7113033","10.6762","0.0009","17.5426","0.0015","25.176","0.002","90","","90","","90","","4715.2","0.7","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","catena-[Ni(II)((R)-pabn))][Fe(III)(tp)(CN)3]PF6.2MeOH","","- C46 H44 B F6 Fe N13 Ni O2 P -","- C46 H44 B F6 Fe N13 Ni O2 P -","- C184 H176 B4 F24 Fe4 N52 Ni4 O8 P4 -","4","1","","Hoshino, Norihisa; Sekine, Yoshihiro; Nihei, Masayuki; Oshio, Hiroki","Achiral single molecule magnet and chiral single chain magnet.","Chemical communications (Cambridge, England)","2010","46","33","6117","6119","10.1039/c0cc00184h","","","0.71073","MoKα","","0.0687","0.0475","","","0.1051","0.1149","","","","","","1.057","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113039","7.033","0.003","11.108","0.004","24.782","0.009","90","0.005","90","0.005","90","0.005","1936","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 N4 O7 -","- C17 H22 N4 O7 -","- C68 H88 N16 O28 -","4","1","","Hagar, Mohamed; Ragaini, Fabio; Monticelli, Elena; Caselli, Alessandro; Macchi, Piero; Casati, Nicola","Chiral cyclopropylamines in the synthesis of new ligands; first asymmetric Alkyl-BIAN compounds.","Chemical communications (Cambridge, England)","2010","46","33","6153","6155","10.1039/c0cc00977f","","","0.71069","MoKα","","0.0944","0.0774","","","0.1969","0.2101","","","","","","1.061","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113040","7.419","0.002","20.487","0.006","28.422","0.008","90","","90","","90","","4320","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C192 H288 O32 -","16","4","","Hagar, Mohamed; Ragaini, Fabio; Monticelli, Elena; Caselli, Alessandro; Macchi, Piero; Casati, Nicola","Chiral cyclopropylamines in the synthesis of new ligands; first asymmetric Alkyl-BIAN compounds.","Chemical communications (Cambridge, England)","2010","46","33","6153","6155","10.1039/c0cc00977f","","","0.71073","MoKα","","0.0648","0.0505","","","0.1129","0.1205","","","","","","1.011","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113062","9.4129","0.0006","16.729","0.0011","17.6201","0.0012","90","","90","","90","","2774.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 Au Cl N2 -","- C27 H32 Au Cl N2 -","- C108 H128 Au4 Cl4 N8 -","4","1","","Hirsch-Weil, Dimitri; Abboud, Khalil A.; Hong, Sukwon","Isoquinoline-based chiral monodentate N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2010","46","40","7525","7527","10.1039/c0cc02211j","","","0.71073","MoKα","","0.0216","0.0201","","","0.0562","0.0569","","","","","","0.849","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113078","6.5631","0.0011","7.7659","0.0012","27.286","0.004","90","","90","","90","","1390.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br O3 -","- C14 H13 Br O3 -","- C56 H52 Br4 O12 -","4","1","","Huang, Huicai; Yu, Feng; Jin, Zhichao; Li, Wenjun; Wu, Wenbin; Liang, Xinmiao; Ye, Jinxing","Asymmetric vinylogous Michael reaction of alpha,beta-unsaturated ketones with gamma-butenolide under multifunctional catalysis.","Chemical communications (Cambridge, England)","2010","46","32","5957","5959","10.1039/c0cc01054e","","","0.71073","MoKα","","0.0765","0.0414","","","0.0838","0.091","","","","","","0.847","","","","has coordinates","180244","2020-10-21","18:00:00",""
"7113137","10.1848","0.0008","17.5488","0.0014","8.8167","0.0007","90","","90","","90","","1575.8","0.2","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Kumaraswamy, Gullapalli; Sadaiah, Kadivendi; Ramakrishna, Duggirala Subrahmanya; Police, Naresh; Sridhar, Balasubramanian; Bharatam, Jagadeesh","Highly enantioselective carbon-carbon bond formation by Cu-catalyzed asymmetric [2,3]-sigmatropic rearrangement: application to the syntheses of seven-membered oxacycles and six-membered carbocycles.","Chemical communications (Cambridge, England)","2008","","42","5324","5326","10.1039/b810770j","","x-ray","0.71073","MoKα","","0.0343","0.0329","","","0.0913","0.0932","","","","","","1.042","","","","has coordinates","180245","2020-10-21","18:00:00",""
"7113194","6.748","0.005","10.465","0.005","19.186","0.005","90","0.005","90","0.005","90","0.005","1354.9","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Cl O2 -","- C14 H17 Cl O2 -","- C56 H68 Cl4 O8 -","4","1","","Jiang, Jun; He, Long; Luo, Shi-Wei; Cun, Lin-Feng; Gong, Liu-Zhu","Enantioselective desymmetrization of prochiral cyclohexanone derivatives via the organocatalytic direct Aldol reaction.","Chemical communications (Cambridge, England)","2007","","7","736","738","10.1039/b615043h","","","1.54184","CuKα","","0.0387","0.0381","","","0.0924","0.0928","","","","","","1","","","","has coordinates","180245","2020-10-21","18:00:00",""
"7113403","8.931","0.002","9.599","0.001","28.08","0.009","90","","90","","90","","2407.3","1","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C108 H120 N8 O16 -","4","1","","Amat, Mercedes; Pérez, Maria; Llor, Núria; Martinelli, Marisa; Molins, Elies; Bosch, Joan","Enantioselective formal synthesis of uleine alkaloids from phenylglycinol-derived bicyclic lactams.","Chemical communications (Cambridge, England)","2004","","14","1602","1603","10.1039/b400987h","","x-ray","0.71073","MoKα","","0.0981","0.0458","","","0.1321","0.1451","","","","","","0.968","","","","has coordinates,has disorder","180248","2020-10-21","18:00:00",""
"7113405","9.913","0.003","14.436","0.004","19.885","0.004","90","","90","","90","","2845.6","1.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","3·CH3NO2","","","- C29 H32 I N O2 P Rh -","- C29 H32 I N O2 P Rh -","- C116 H128 I4 N4 O8 P4 Rh4 -","4","1","","Doppiu, Angelino; Englert, Ulli; Salzer, Albrecht","Isolation and structural characterization of an optically active intermediate in the oxidative addition of methyl iodide on a rhodium(I) centre.","Chemical communications (Cambridge, England)","2004","","19","2166","2167","10.1039/b409134e","","","0.71073","MoKα","","0.0427","0.036","","","0.077","0.0799","","","","","","1.051","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113408","11.2239","0.0005","14.802","0.0007","18.6314","0.0008","90","","90","","90","","3095.3","0.2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 Fe N4 O7 -","- C26 H36 Fe N4 O7 -","- C104 H144 Fe4 N16 O28 -","4","1","","Barisić, Lidija; Dropucić, Maja; Rapić, Vladimir; Pritzkow, Hans; Kirin, Srećko I; Metzler-Nolte, Nils","The first oligopeptide derivative of 1'-aminoferrocene-1-carboxylic acid shows helical chirality with antiparallel strands.","Chemical communications (Cambridge, England)","2004","","17","2004","2005","10.1039/b407771g","","","0.71073","MoKα","","0.0661","0.046","","","0.1069","0.1174","","","","","","1.067","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113411","9.72","0.0004","16.5858","0.0006","18.421","0.0008","90","","90","","90","","2969.7","0.2","113","2","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 Cl2 N2 O4 Pd -","- C32 H32 Cl2 N2 O4 Pd -","- C128 H128 Cl8 N8 O16 Pd4 -","4","1","","Stephan Scholer; Maike H. Wahl; Nicole I. C. Wurster; Arik Puls; Christof Hattig; Gerald Dyker","Bidentate cycloimidate palladium complexes with aliphatic and aromatic anagostic bonds","Chem.Commun.","2014","50","","5909","","10.1039/C4CC01060D","","","0.71073","MoKα","","0.0451","0.0293","","","0.0374","0.0388","","","","","","0.781","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113427","7.5433","0.0002","14.0457","0.0003","24.3817","0.0004","90","","90","","90","","2583.26","0.1","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 O3 P S -","- C26 H35 O3 P S -","- C104 H140 O12 P4 S4 -","4","1","","Tobias Moller; Peter Wonneberger; Nadja Kretzschmar; Evamarie Hey-Hawkins","P-chiral phosphorus heterocycles: a straightforward synthesis","Chem.Commun.","2014","50","","5826","","10.1039/C4CC00318G","","","0.71073","MoKα","","0.0435","0.0363","","","0.0789","0.0823","","","","","","1.031","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113428","9.899","0.005","13.28","0.005","19.567","0.005","90","","90","","90","","2572.3","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 O3 P S -","- C27 H37 O3 P S -","- C108 H148 O12 P4 S4 -","4","1","","Tobias Moller; Peter Wonneberger; Nadja Kretzschmar; Evamarie Hey-Hawkins","P-chiral phosphorus heterocycles: a straightforward synthesis","Chem.Commun.","2014","50","","5826","","10.1039/C4CC00318G","","","0.71073","MoKα","","0.0305","0.0263","","","0.0645","0.0662","","","","","","1.044","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113429","9.9928","0.0002","13.316","0.0002","19.1769","0.0003","90","","90","","90","","2551.76","0.08","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N O3 P S -","- C26 H36 N O3 P S -","- C104 H144 N4 O12 P4 S4 -","4","1","","Tobias Moller; Peter Wonneberger; Nadja Kretzschmar; Evamarie Hey-Hawkins","P-chiral phosphorus heterocycles: a straightforward synthesis","Chem.Commun.","2014","50","","5826","","10.1039/C4CC00318G","","","0.71073","MoKα","","0.044","0.0356","","","0.0711","0.0743","","","","","","1.033","","","","has coordinates","180248","2020-10-21","18:00:00",""
"7113808","5.513","0.006","12.528","0.014","26.192","0.023","90","","90","","90","","1809","3","293","2","293","2","","","","","","","chemical synthesis","4","P 21 21 21","P 2ac 2ab","19","Paol02","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","","De Paolis, Micha�l; Chiaroni, Ang�le; Zhu, Jieping","Synthetic studies on ecteinascidin 743: rapid access to the fully functionalized tetrahydroisoquinoline with a bridged 10-membered sulfur containing macrocycleElectronic supplementary information (ESI) available: spectroscopic data for all new compounds and X-ray data for compound 14. See http://www.rsc.org/suppdata/cc/b3/b309824a/","Chemical Communications","2003","","23","2896","","10.1039/b309824a","","","0.71073","MoKα","","0.062","0.0457","","0.1441","","0.1042","","","1.072","","","1.101","","","","has coordinates","180252","2020-10-21","18:00:00",""
"7113816","20.082","0.004","29.961","0.006","35.827","0.007","90","","90","","90","","21556","7","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C176 H136 Ag6 F12 N8 O12 P10 Re4 -","- C176 H136 Ag6 F12 N8 O12 P10 Re4 -","- C704 H544 Ag24 F48 N32 O48 P40 Re16 -","4","1","","Yam, Vivian Wing-Wah; Lo, Wing-Yin; Zhu, Nianyong","Synthesis and luminescence behaviour of novel heterodecanuclear silver(i)?rhenium(i) alkynyl complexes. X-Ray crystal structures of [Ag6(�-dppm)4{�3-C?CC?C?Re(Me2bpy)(CO)3}4](PF6)2 and [Ag6(�-dppm)4{�3-C?CC?C?Re(Br2phen)(CO)3}4](PF6)2Electronic supplementary information (ESI) available: characterisation for 1?4, perspective drawing of the complex cation of 4, and detailed X-ray crystal structure determination data for 2 and 4. See http://www.rsc.org/suppdata/cc/b3/b307479j/","Chemical Communications","2003","","19","2446","","10.1039/b307479j","","","0.71073","MoKα","","0.1131","0.0683","","","0.1819","0.2123","","","","","","0.996","","","","has coordinates","180252","2020-10-21","18:00:00",""
"7113885","12.5231","0.0003","19.2231","0.0004","25.9127","0.0006","90","","90","","90","","6238","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H86 O6 Si2 Zr -","- C68 H86 O6 Si2 Zr -","- C272 H344 O24 Si8 Zr4 -","4","1","","Turner, Luke E.; Thorn, Matthew G.; Fanwick, Phillip E.; Rothwell, Ian P.","Facile resolution of constrained geometry indenyl-phenoxide ligationElectronic supplementary information (ESI) available: synthesis of compounds 1‒8 and ORTEP views of4,5 and 6. See http://www.rsc.org/suppdata/cc/b2/b212724e/","Chemical Communications","2003","","9","1034","","10.1039/b212724e","","","0.71073","MO-Kα","","","0.063","","","","0.136","","","","","","1.124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7113917","10.6176","0.0008","11.3209","0.0007","17.5317","0.001","90","","90","","90","","2107.3","0.2","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br N2 O2 -","- C24 H23 Br N2 O2 -","- C96 H92 Br4 N8 O8 -","4","1","","Clarisa Villegas Gomez; David Cruz Cruz; Rasmus Mose; Karl Anker Jorgensen","Organocatalytic cascade reactions: diversity-oriented synthesis for the construction of hydroisoquinoline scaffolds","Chem.Commun.","2014","50","","6035","","10.1039/C4CC01231C","","","0.56085","AgKα","","0.0283","0.024","","","0.0538","0.0554","","","","","","1.045","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113921","7.5317","0.0005","8.8235","0.0006","15.0974","0.0009","90","","90","","90","","1003.31","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","1","","Jose A. Fernandez-Salas; M. Mercedes Rodriguez-Fernandez; M. Carmen Maestro; Jose L. Garcia-Ruano","Stereochemical aspects and the synthetic scope of the SHi at the sulfur atom. Preparation of enantiopure 3-substituted 2,3-dihydro-1,2-benzoisothiazole 1-oxides and 1,1-dioxides","Chem.Commun.","2014","50","","6046","","10.1039/C4CC01831A","","","1.54178","","","0.0251","0.0249","","","0.0667","0.067","","","","","","1.087","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7113961","9.173","0.004","13.175","0.005","23.399","0.009","90","","90","","90","","2828","2","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Cl3 Co N5 O6 -","- C23 H30 Cl3 Co N5 O6 -","- C92 H120 Cl12 Co4 N20 O24 -","4","1","","Jingfan Xie; Qianxiong Zhou; Chao Li; Weibo Wang; Yuanjun Hou; Baowen Zhang; Xuesong Wang","An unexpected role of the monodentate ligand in photocatalytic hydrogen production of the pentadentate ligand-based cobalt complexes","Chem.Commun.","2014","50","","6520","","10.1039/C4CC01471E","","","0.71073","MoKα","","0.0879","0.0693","","","0.1748","0.1907","","","","","","1.002","","","","has coordinates","180253","2020-10-21","18:00:00",""
"7114005","6.246","0.0001","16.5619","0.0003","20.0492","0.0005","90","","90","","90","","2074","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O3 S -","- C22 H27 N O3 S -","- C88 H108 N4 O12 S4 -","4","1","","Cooper, Ian R.; Grigg, Ronald; MacLachlan, William S.; Thornton-Pett, Mark; Sridharan, Visuvanathar","3-Component palladium‒indium mediated diastereoselective cascade allylation of imines with allenes and aryl iodidesElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b2/b202940e/","Chemical Communications","2002","","13","1372","","10.1039/b202940e","","","0.71073","MoKα","","0.0413","0.0344","","","0.0802","0.0838","","","","","","1.047","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114011","12.9124","0.0006","12.9187","0.0007","21.561","0.0011","90","","90","","90","","3596.6","0.3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 In N O5 S4 -","- C34 H36 In N O5 S4 -","- C136 H144 In4 N4 O20 S16 -","4","1","","Lin, Ming; Loh, Kian Ping; Deivaraj, Theivanayagam C.; Vittal, Jagadese J.","Heterogeneous reaction route to CuInS2 thin films","Chemical Communications","2002","","13","1400","","10.1039/b203156f","","","0.71073","MoKα","","0.0514","0.0434","","","0.1029","0.1072","","","","","","1.051","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114014","14.804","0.002","16.226","0.003","17.416","0.003","90","","90","","90","","4183.5","1.2","153.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 Cl2 Cu2 N10 O2 -","- C43.01 H38 Cl2.02 Cu2 N10 O4 -","- C172.04 H152 Cl8.08 Cu8 N40 O16 -","4","1","","Yano, Toshihiro; Tanaka, Rika; Nishioka, Takanori; Kinoshita, Isamu; Isobe, Kiyoshi; Wright, L. James; Collins, Terrence J.","Mononuclear‒dinuclear helicate interconversion of dibromo{N,N′-bis[(S)-1-2-(pyridyl)ethyl]pyridine-2,6-dicarboxamidate}copper(ii) via a deprotonation‒protonation processElectronic supplementary information (ESI) available: preparation of (R)- and (S)-PEPDAH2. See http://www.rsc.org/suppdata/cc/b2/b202700c/","Chemical Communications","2002","","13","1396","","10.1039/b202700c","","","0.7107","MoKα","","","0.0682","","","","0.1054","","","","","","1.231","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114016","10.716","0.007","11.405","0.007","17.92","0.01","90","","90","","90","","2190","2","223.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br2 Cu N5 O2 -","- C21 H20 Br2 Cu N5 O2 -","- C84 H80 Br8 Cu4 N20 O8 -","4","1","","Yano, Toshihiro; Tanaka, Rika; Nishioka, Takanori; Kinoshita, Isamu; Isobe, Kiyoshi; Wright, L. James; Collins, Terrence J.","Mononuclear‒dinuclear helicate interconversion of dibromo{N,N′-bis[(S)-1-2-(pyridyl)ethyl]pyridine-2,6-dicarboxamidate}copper(ii) via a deprotonation‒protonation processElectronic supplementary information (ESI) available: preparation of (R)- and (S)-PEPDAH2. See http://www.rsc.org/suppdata/cc/b2/b202700c/","Chemical Communications","2002","","13","1396","","10.1039/b202700c","","","0.7107","MoKα","","","0.0725","","","","0.1945","","","","","","1.275","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114025","7.6575","0.0009","10.613","0.001","22.158","0.003","90","","90","","90","","1800.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,5S,8R)-3-oxo-1-ethyl-5-(tert-butydimethylsiloxy)methyl-8-hydroxy-2,6-dioxabicyclo[3.3.0]ocatne","","- C15 H28 O5 Si -","- C15 H28 O5 Si -","- C60 H112 O20 Si4 -","4","1","","Lee, Hing Ken; Wong, Henry N. C.","An enantioselective synthetic pathway towards plakortones","Chemical Communications","2002","","18","2114","2115","10.1039/b205924j","","","0.71073","MoKα","","0.0535","0.0365","","","0.0866","0.0955","","","","","","0.964","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114026","8.2731","0.0004","11.6606","0.0006","17.5669","0.0009","90","","90","","90","","1694.67","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1'S,2'R,3'R)-3-[1'-ethyl-1',2'-(isopropylidenedioxy)-3'-hydroxypent-4-enyl]but-2-en-4-olide","","- C16 H24 O5 -","- C16 H24 O5 -","- C64 H96 O20 -","4","1","","Lee, Hing Ken; Wong, Henry N. C.","An enantioselective synthetic pathway towards plakortones","Chemical Communications","2002","","18","2114","2115","10.1039/b205924j","","","0.71073","MoKα","","0.0735","0.0449","","","0.1079","0.1211","","","","","","0.93","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114059","11.436","0.015","31.504","0.005","11.27","0.003","90","","90","","90","","4060","5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-1-[(S)-2-(diphenylphosphino)ferrocenyl]-ethyl-(R)-[phenylphosphin-2- (diphenylphosphinoyl)ethane].2BH3","","- C44 H47 B2 Fe O P3 -","- C44 H47 B2 Fe O P3 -","- C176 H188 B8 Fe4 O4 P12 -","4","1","","Barbaro, Pierluigi; Bianchini, Claudio; Giambastiani, Giuliano; Togni, Antonio","The first tridentate phosphine ligand combining planar, phosphorus and carbon chiralityElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b208384a/","Chemical Communications","2002","","22","2672","","10.1039/b208384a","","","0.71073","MoKα","","0.1055","0.05","","","0.1094","0.1368","","","","","","0.848","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114060","12.117","0.002","15.381","0.009","19.922","0.005","90","","90","","90","","3713","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-1-[(S)-2-diphenylphosphino)ferrocenyl]-ethyl-(S)-[phenylphosphin-2- (diphenylphosphino)ethane]","","- C44 H41 Fe P3 -","- C44 H41 Fe P3 -","- C176 H164 Fe4 P12 -","4","1","","Barbaro, Pierluigi; Bianchini, Claudio; Giambastiani, Giuliano; Togni, Antonio","The first tridentate phosphine ligand combining planar, phosphorus and carbon chiralityElectronic supplementary information (ESI) available: experimental section. See http://www.rsc.org/suppdata/cc/b2/b208384a/","Chemical Communications","2002","","22","2672","","10.1039/b208384a","","","0.71073","MoKα","","0.1179","0.0493","","","0.1124","0.1423","","","","","","0.88","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114066","9.6882","0.0003","11.0578","0.0003","16.38","0.0005","90","","90","","90","","1754.79","0.09","100","","100","","","","","","","","see paper","6","P 21 21 21","P 2ac 2ab","19","","(1-isopropylmethyl-methylene-oxy-5-yl)(2-isopropylmethyl- methylene-oxo-4-yl)imidazol-2-ylidium trifluoromethylsufonate","","- C14 H21 F3 N2 O5 S -","- C14 H21 F3 N2 O5 S -","- C56 H84 F12 N8 O20 S4 -","4","1","","Glorius, Frank; Altenhoff, Gereon; Goddard, Richard; Lehmann, Christian","Oxazolines as chiral building blocks for imidazolium salts and N-heterocyclic carbene ligandsElectronic supplementary information (ESI) available: spectroscopic data for 10 and 12. See http://www.rsc.org/suppdata/cc/b2/b208045a/","Chemical Communications","2002","","22","2704","","10.1039/b208045a","","","0.71073","MoKα","","0.0491","0.0365","","","0.0788","0.0837","","","","","","1.024","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114080","6.7943","0.0013","8.718","0.003","11.059","0.004","90","","90","","90","","655.1","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 F N O3 P -","- C4 H9 F N O3 P -","- C16 H36 F4 N4 O12 P4 -","4","1","","Ruiz, María; Ojea, Vicente; Quintela, José M.; Guillín, Juan J.","Stereoselective synthesis of α-monofluorinated phosphonate mimetics of naturally occurring phosphoserine and phosphothreonine, via electrophilic fluorination of lithiated bis-lactim ethersElectronic supplementary information (ESI) available: experimental data. See http://www.rsc.org/suppdata/cc/b2/b204093j/","Chemical Communications","2002","","15","1600","","10.1039/b204093j","","","0.71073","MoKα","","0.0258","0.0234","","0.0638","0.0627","","","","1.066","1.08","1.08","","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114087","8.9724","0.0007","11.7974","0.0009","19.112","0.0019","90","","90","","90","","2023","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N2 O2 Rh -","- C23 H25 N2 O2 Rh -","- C92 H100 N8 O8 Rh4 -","4","1","","Willems, Sander T. H.; Russcher, Jaap C.; Budzelaar, Peter H. M.; Bruin, Bas de; Gelder, René de; Smits, Jan M. M.; W. Gal, Anton","Spontaneous disproportionation of rhodium(i) bisoxazolinates to rhodium(ii)Electronic supplementary information (ESI) available: synthetic procedures (including 1H NMR, 13C NMR and elemental analysis data), EPR spectrum and cyclic voltammogram. See http://www.rsc.org/suppdata/cc/b1/b110183h/","Chemical Communications","2002","","2","148","","10.1039/b110183h","","","0.71073","MoKα","","0.0683","0.0536","","0.1609","0.1489","0.1609","","","1.039","","","1.039","","","","has coordinates","180254","2020-10-21","18:00:00",""
"7114098","8.8915","0.0004","9.2151","0.0003","45.8131","0.0019","90","","90","","90","","3753.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O8 -","- C16 H24.375 N O8 -","- C128 H195 N8 O64 -","8","2","","Dransfield, Paul J.; Gore, Paul M.; Shipman, Michael; Slawin, Alexandra M. Z.","Divergent approach to imino sugar C-glycosides using imino glycals: application to the stereocontrolled synthesis of (+)-deoxoprosophylline","Chemical Communications","2002","","2","150","","10.1039/b110035a","","","0.71073","MoKα","","0.0748","0.0538","","","0.1252","0.1345","","","","","","0.987","","","","has coordinates,has disorder","180254","2020-10-21","18:00:00",""
"7114179","6.117","0.001","13.262","0.001","19.993","0.002","90","","90","","90","","1621.9","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C64 H88 O24 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Loke, Pui L.; Malone, John F.; McRoberts, W. Colin; Hamilton, John T. G.","Absolute configuration assignment and enantiopurity determination of chiral alkaloids and coumarins derived from O- and C-prenyl epoxidesElectronic supplementary information (ESI) available: crystal data for 17. See http://www.rsc.org/suppdata/cc/b2/b208978e/","Chemical Communications","2002","","24","3070","","10.1039/b208978e","","","1.54178","CuKα","","0.0506","0.038","","","0.0976","0.1059","","","","","","1.066","","","","has coordinates","180255","2020-10-21","18:00:00",""
"7114216","9.472","0.007","17","0.01","18.07","0.02","90","","90","","90","","2910","4","150.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 N O P -","- C36 H33 N O P -","- C144 H132 N4 O4 P4 -","4","1","","Nakano, Hiroto; Okuyama, Yuko; Suzuki, Yuichiro; Fujita, Reiko; Kabuto, Chizuko","A novel and efficient chiral palladium‒phosphinooxazolidine catalyst for the enantioselective Diels‒Alder reactionElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b2/b201625g/","Chemical Communications","2002","","10","1146","","10.1039/b201625g","","","0.7107","MoKα","","","0.1044","","","","0.1227","","","","","","2.81","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114217","10.641","0.003","18.805","0.005","34.692","0.009","90","","90","","90","","6942","3","150.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73.5 H66.5 Cl8.5 N2 O2.5 P2 Pd2 -","- C73.97 H66.5 Cl8.5 N2 O2.5 P2 Pd2 -","- C295.88 H266 Cl34 N8 O10 P8 Pd8 -","4","1","","Nakano, Hiroto; Okuyama, Yuko; Suzuki, Yuichiro; Fujita, Reiko; Kabuto, Chizuko","A novel and efficient chiral palladium‒phosphinooxazolidine catalyst for the enantioselective Diels‒Alder reactionElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b2/b201625g/","Chemical Communications","2002","","10","1146","","10.1039/b201625g","","","0.7107","MoKα","","","0.0524","","","","0.0605","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114315","13.6186","0.0005","15.1375","0.0007","25.032","0.001","90","","90","","90","","5160.4","0.4","173","","173","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C55 H39 Ag B F4 Mn2 N2 O9 -","- C55 H28 Ag B F4 Mn2 N2 O9 -","- C220 H112 Ag4 B4 F16 Mn8 N8 O36 -","4","1","","de Cian, André; Djukic, Jean-Pierre; Fischer, Jean; Pfeffer, Michel; Dötz, Karl Heinz","Expression of the prohelicity of bis-cyclomanganated 2,3-diphenylquinoxaline through reactions with diaryldiazomethanesElectronic supplementary information (ESI) available: preparation procedure and spectroscopic data for 1b‒d, crystal data for polymer 1e. See http://www.rsc.org/suppdata/cc/b1/b111570g","Chemical Communications","2002","","6","638","","10.1039/b111570g","","","0.71073","Mo-Kα","","0.113","0.058","","0.897","","0.08","","","22.454","","","1.513","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7114330","8.8867","0.0002","11.7119","0.0002","12.0177","0.0003","90","","90","","90","","1250.8","0.05","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Benzoic acid 5,6-dihydroxy-3,8-dioxa-tricyclo[5.1.0.0^2,4^]oct-4- ylmethyl ester","","- C14 H14 O6 -","- C14 H14 O6 -","- C56 H56 O24 -","4","1","","Lorbach, Volker; Franke, Dirk; Nieger, Martin; Müller, Michael","Cyclohexadiene-trans-diols as versatile starting material in natural product synthesis: short and efficient synthesis of iso-crotepoxide and ent-senepoxide","Chemical Communications","2002","","5","494","","10.1039/b110420a","","","0.71073","MoKα","","0.0221","0.0214","","","0.0559","0.0563","","","","","","1.041","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114337","8.796","0.001","12.27","0","12.56","0","90","","90","","90","","1355.56","0.15","273.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 Cl3 N O Ti -","- C9 H18 Cl3 N O Ti -","- C36 H72 Cl12 N4 O4 Ti4 -","4","1","","Mahanthappa, Mahesh K.; Huang, Kuo-Wei; Cole, Adam P.; Waymouth, Robert M.","Synthesis and molecular structure of titanium complexes containing a reduced TEMPO radical","Chemical Communications","2002","","5","502","","10.1039/b110147a","","","0.7107","MoKα","","","0.033","","","","0.08","","","","","","0.741","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114354","13.699","0.002","21.594","0.003","22.22","0.003","90","","90","","90","","6573","1.6","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Tetrakis(3,3',5,5'-Tetramethyl-4,4'-Bipyrazolyl) Sulfato Bis(thiocyanato) Dicobalt(II), Bis(Methanol) Bis(Chloroform) Solvate","","- C46 H66 Cl6 Co2 N18 O6 S3 -","- C46 H64 Cl6 Co2 N18 O6 S3 -","- C184 H256 Cl24 Co8 N72 O24 S12 -","4","1","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Chernega, Alexander N.; Sieler, Joachim; Domasevitch, Konstantin V.","Mixed-anion complexes with a bipyrazolyl ligand. A new entry to a realm of three-dimensional five-connected coordination topologiesElectronic supplementary information (ESI) available: crystal structure determination and refinement details for 1–4. See http://www.rsc.org/suppdata/cc/b1/b110599j/","Chemical Communications","2002","","5","436","","10.1039/b110599j","","","0.71073","MoKα","","0.0975","0.055","","0.2292","0.1373","","","","1.025","1.09","1.09","","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114355","13.625","0.0014","21.376","0.002","22.072","0.002","90","","90","","90","","6428.4","1.1","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Tetrakis(3,3',5,5'-Tetramethyl-4,4'-bipyrazolyl) Sulfato Bis(thiocyanato) Dinickel(II), Bis(methanol) Bis(chloroform) Solvate","","- C46 H66 Cl6 N18 Ni2 O6 S3 -","- C46 H64 Cl6 N18 Ni2 O6 S3 -","- C184 H256 Cl24 N72 Ni8 O24 S12 -","4","1","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Chernega, Alexander N.; Sieler, Joachim; Domasevitch, Konstantin V.","Mixed-anion complexes with a bipyrazolyl ligand. A new entry to a realm of three-dimensional five-connected coordination topologiesElectronic supplementary information (ESI) available: crystal structure determination and refinement details for 1–4. See http://www.rsc.org/suppdata/cc/b1/b110599j/","Chemical Communications","2002","","5","436","","10.1039/b110599j","","","0.71073","MoKα","","0.0695","0.0496","","0.1762","0.1149","","","","1.032","1.056","1.056","","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114360","16.398","0.009","23.996","0.014","30.666","0.012","90","","90","","90","","12067","11","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C90 H150 N20 Ni7 O45 S -","- C90 H150 N20 Ni7 O45 S -","- C360 H600 N80 Ni28 O180 S4 -","4","1","","Gaynor, Declan; Starikova, Zoya A.; Ostrovsky, Sergei; Haase, Wolfgang; Nolan, Kevin B.","Synthesis and structure of a heptanuclear nickel(ii) complex uniquely exhibiting four distinct binding modes, two of which are novel, for a hydroxamate ligand","Chemical Communications","2002","","5","506","507","10.1039/b110799b","","","0.71073","MoKα","","0.1878","0.0601","","","0.0915","0.1158","","","","","","0.644","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7114365","11.625","0.002","12.164","0.002","29.975","0.006","90","","90","","90","","4238.7","1.3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H58 Cl3 Hf N3 Si4 -","- C30 H58 Cl3 Hf N3 Si4 -","- C120 H232 Cl12 Hf4 N12 Si16 -","4","1","","Frank, Dieter; Baumgartner, Judith; Marschner, Christoph","First successful reaction of a silyl anion with hafnium tetrachloride","Chemical Communications","2002","","11","1190","","10.1039/b201508k","","","0.71073","MoKα","","0.0331","0.0305","","","0.0786","0.0797","","","","","","0.982","","","","has coordinates","180257","2020-10-21","18:00:00",""
"7114398","10.505","0.0005","16.3955","0.0008","30.297","0.002","90","","90","","90","","5218.2","0.5","183","2","183","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1,4,7,10,13,16-hexaoxacyclooctadecane- bis(trimethylsilylmethyl)lutetium(III)- trimethylsilylmethyltriphenylborate","","- C43 H74 B Cl Lu O6 Si3 -","- C43 H74 B Cl Lu O6 Si3 -","- C172 H296 B4 Cl4 Lu4 O24 Si12 -","4","1","","Arndt, Stefan; Spaniol, Thomas P.; Okuda, Jun","The first structurally characterized cationic lanthanide‒alkyl complexesElectronic supplementary information (ESI) available: experimental and spectroscopic details. See http://www.rsc.org/suppdata/cc/b2/b201613n/","Chemical Communications","2002","","8","896","","10.1039/b201613n","","","0.71073","MoKα","","0.0666","0.0455","","","0.1207","0.13","","","","","","1.038","","","","has coordinates,has disorder","180257","2020-10-21","18:00:00",""
"7114411","5.063","0.001","15.379","0.003","28.912","0.006","90","","90","","90","","2251.2","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","PheGlyPheGly","","","- C22 H26 N4 O5 -","- C22 H26 N4 O5 -","- C88 H104 N16 O20 -","4","1","","Birkedal, Henrik; Schwarzenbach, Dieter; Pattison, Philip","A fully extended tetrapeptide consisting of natural amino acidsElectronic supplementary information (ESI) available: details of the crystallographic work, ab initio calculations (including coordinates) and data base searches. See http://www.rsc.org/suppdata/cc/b2/b208306j/","Chemical Communications","2002","","23","2812","","10.1039/b208306j","","","0.8008","synchrotron","","0.0329","0.0298","","","0.081","0.084","","","","","","1.05","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114416","11.473","0.0004","15.41","0.0006","17.634","0.0006","90","","90","","90","","3117.67","0.19","298","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","Trip-Se-S-SnPh3 (Trip = 9-triptycyl)","","- C38 H28 S Se Sn -","- C38 H28 S Se Sn -","- C152 H112 S4 Se4 Sn4 -","4","1","","Ishii, Akihiko; Takahashi, Takeshi; Tawata, Akira; Furukawa, Aki; Oshida, Hideaki; Nakayama, Juzo","First synthesis and characterization of isolable thioselenenic acid, triptycene-9-thioselenenic acid","Chemical Communications (Cambridge, United Kingdom)","2002","","23","2810","2811","10.1039/b207810d","","","0.71073","MoKα","","0.0813","0.0492","","","0.0919","0.1027","","","","","","1.038","","","","has coordinates","275173","2022-05-07","00:41:26",""
"7114473","7.6901","0.0005","7.9975","0.0005","18.4359","0.0011","90","","90","","90","","1133.84","0.12","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 I O3 -","- C10 H15 I O3 -","- C40 H60 I4 O12 -","4","1","","Clive, Derrick L. J.; Fletcher, Stephen P.","Synthesis of the bicyclic dienone core of the antitumor agent ottelione B","Chemical Communications","2002","","17","1940","","10.1039/b205753k","","","0.71073","MoKα","","0.0296","0.0264","","","0.0618","0.0628","","","","","","1.071","","","","has coordinates","180258","2020-10-21","18:00:00",""
"7114491","10.109","0.004","14.855","0.004","18.68","0.004","90","","90","","90","","2805.2","1.5","296.2","","296.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O S Se Ti -","- C30 H42 O S Se Ti -","- C120 H168 O4 S4 Se4 Ti4 -","4","1","","Ogawa, Satoshi; Yoshimura, Satoko; Nagahora, Noriyoshi; Kawai, Yasushi; Mikata, Yuji; Sato, Ryu","Novel multi-chalcogen ring systems with three different chalcogen atoms: synthesis, structure and redox property of five-membered trichalcogenaheterocyclesElectronic supplementary information (ESI) available: satisfactory characterizing data for all the new compounds. Typical experimental procedure, physical and spectroscopic data of all the new compounds and ORTEP view of 2d. See http://www.rsc.org/suppdata/cc/b2/b205445k/","Chemical Communications","2002","","17","1918","","10.1039/b205445k","","","1.5418","CuKα","","","0.0553","","","0.0847","","","","","0.762","0.762","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114504","5.853","0.0002","9.381","0.0005","40.728","0.003","90","","90","","90","","2236.3","0.2","298","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C92 H112 N8 O16 -","4","1","","Mamiya, Jun-ichi; Kanie, Kiyoshi; Hiyama, Tamejiro; Ikeda, Tomiki; Kato, Takashi","A rodlike organogelator: fibrous aggregation of azobenzene derivatives with a syn-chiral carbonate moietyElectronic supplementary information (ESI) available: synthetic scheme for (R,R)-2; FT-IR and SAXS measurements of (R,R)-(+)-1. See http://www.rsc.org/suppdata/cc/b2/b205072b/","Chemical Communications","2002","","17","1870","","10.1039/b205072b","","","0.71073","MoKα","","0.095","","","0.126","","0.126","","","0.902","","","0.949","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7114526","11.719","0.006","17.73","0.004","9.974","0.004","90","","90","","90","","2072.4","1.4","298.2","","298.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H18 O2 S2 -","- C28 H18 O2 S2 -","- C112 H72 O8 S8 -","4","1","","Kitahara, Yoshinori; Tanaka, Kazuhiko","Synthesis, crystal structure and properties of thiaheterohelicenes containing phenolic hydroxy functions","Chemical Communications","2002","","9","932","","10.1039/b110514k","","","0.7107","MoKα","","","0.0528","","","0.077","","","","","1.229","1.229","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114552","12.067","0.002","17.667","0.004","29.266","0.006","90","","90","","90","","6239","2","123","2","123","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","{cesium (cyclic hexaethylether Ni(TMTAA) diester)}{cobalt(III) bis(dicarbollide}{dichloromethane}{toluene}","","","- C48 H76 B18 Cl2 Co Cs N4 Ni O9 -","- C48 H76 B18 Cl2 Co Cs N4 Ni O9 -","- C192 H304 B72 Cl8 Co4 Cs4 N16 Ni4 O36 -","4","1","","Malic, Nino; Nichols, Peter J.; Raston, Colin L.","Ni(ii) N4-macrocycle grafted crown ether: caesium cobalt(iii) bis(dicarbollide) coordination polymer","Chemical Communications","2002","","1","16","","10.1039/b108162d","","","0.71073","MoKα","","0.12","0.0629","","","0.1308","0.149","","","","","","1.03","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114564","6.215","0.002","20.656","0.008","25.022","0.01","90","","90","","90","","3212","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 N2 O5 Zn -","- C23 H18 N2 O5 Zn -","- C92 H72 N8 O20 Zn4 -","4","1","","Xiaoxia Lv; Liangjun Li; Sifu Tang; Chao Wang; Xuebo Zhao","High CO2/N2 and CO2/CH4 selectivity in a chiral metal-organic framework with contracted pores and multiple functionalities","Chem.Commun.","2014","50","","6886","","10.1039/C4CC00334A","","","0.71073","MoKα","","0.1393","0.0794","","","0.1804","0.2052","","","","","","1.081","","","","has coordinates,has disorder","180259","2020-10-21","18:00:00",""
"7114572","11.9319","0.0004","13.445","0.0004","16.1494","0.0006","90","","90","","90","","2590.76","0.15","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 F6 N2 O P -","- C26 H33 F6 N2 O P -","- C104 H132 F24 N8 O4 P4 -","4","1","","Eiji Tayama; Noriko Naganuma; Hajime Iwamoto; Eietsu Hasegawa","Double axial chirality promoted asymmetric [2,3] Stevens rearrangement of N-cinnamyl L-alanine amide-derived ammonium ylides","Chem.Commun.","2014","50","","6860","","10.1039/C4CC02536A","","","0.71075","MoKα","","","0.067","","","","0.2425","","","","","","1.031","","","","has coordinates","180259","2020-10-21","18:00:00",""
"7114576","33.4761","0.0007","16.0612","0.0003","7.1921","0.0002","90","","90","","90","","3866.95","0.15","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","codeine hydrogen dihydrogen phosphate hemihydrate","(5α,6α)-6-hydroxy-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinanium dihydrogen phosphate sesquihydrate","","- C18 H27 N O8.5 P -","- C18 H24 N O8.5 P -","- C144 H192 N8 O68 P8 -","8","2","","Tomce Runcevski; Gjorgji Petrusevski; Petre Makreski; Sonja Ugarkovic; Robert E. Dinnebier","On the hydrates of codeine phosphate: the remarkable influence of hydrogen bonding on the crystal size","Chem.Commun.","2014","50","","6970","","10.1039/C4CC01430h","powder diffraction","","1.5406","CuKα1","","3.524","","","","","","","","2.251","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114584","8.0662","0.0003","12.7774","0.0004","31.4054","0.0011","90","","90","","90","","3236.8","0.19","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 Cl N O5 -","- C19 H12 Cl N O5 -","- C152 H96 Cl8 N8 O40 -","8","2","","Divya K. Nair; Rubem F. S. Menna-Barreto; Eufranio N. da Silva Junior; Shaikh M. Mobin; Irishi N. N. Namboothiri","Chiral squaramide-catalyzed asymmetric synthesis of pyranones and pyranonaphthoquinones via cascade reactions of 1,3-dicarbonyls with Morita-Baylis-Hillman acetates of nitroalkenes","Chem.Commun.","2014","50","","6973","","10.1039/C4CC02279C","","","0.71073","MoKα","","0.0583","0.0521","","","0.1331","0.1374","","","","","","1.072","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7114618","8.8244","0.0007","10.0482","0.0008","20.7767","0.0016","90","","90","","90","","1842.3","0.3","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","I. A. O'Neil; M. McConville; K. Zhou; C. Brooke; C. M. Robertson; N. G. Berry","The synthesis and structure of chiral enamine N-oxides","Chem.Commun.","2014","50","","7336","","10.1039/C3CC47928E","","","0.71073","MoKα","","0.0301","0.0291","","","0.0716","0.0724","","","","","","1.052","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114619","10.252","0.002","10.869","0.002","40.512","0.009","90","","90","","90","","4514.2","1.6","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N O6 -","- C25 H29 N O6 -","- C200 H232 N8 O48 -","8","2","","I. A. O'Neil; M. McConville; K. Zhou; C. Brooke; C. M. Robertson; N. G. Berry","The synthesis and structure of chiral enamine N-oxides","Chem.Commun.","2014","50","","7336","","10.1039/C3CC47928E","","","0.71073","MoKα","","0.0397","0.0359","","","0.0854","0.0874","","","","","","1.053","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114642","9.8879","0.0006","12.4088","0.0009","13.0415","0.0009","90","","90","","90","","1600.15","0.19","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br O -","- C19 H19 Br O -","- C76 H76 Br4 O4 -","4","1","","Claudia Lalli; Pierre van de Weghe","Enantioselective Prins cyclization: BINOL-derived phosphoric acid and CuCl synergistic catalysis","Chem.Commun.","2014","50","","7495","","10.1039/C4CC02826K","","x-ray","0.71073","MoKα","","0.043","0.0333","","","0.0663","0.0701","","","","","","1.032","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114658","10.9799","0.0005","14.7027","0.0005","35.1126","0.0009","90","","90","","90","","5668.4","0.4","170","2","170","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C212 H136 F48 Fe4 O28 P8 Ru12 S4 -","4","1","","Ahmed F. Abdel-Magied; Amrendra K. Singh; Matti Haukka; Michael G. Richmond; Ebbe Nordlander","Diastereomeric control of enantioselectivity: evidence for metal cluster catalysis","Chem.Commun.","2014","50","","7705","","10.1039/C4CC02319F","","","0.71073","MoKα","","0.0835","0.0518","","","0.0753","0.0856","","","","","","1.007","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114659","11.9655","0.0004","20.1151","0.0005","49.045","0.003","90","","90","","90","","11804.5","0.9","170","2","170","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C424 H272 F96 Fe8 O56 P16 Ru24 S8 -","8","2","","Ahmed F. Abdel-Magied; Amrendra K. Singh; Matti Haukka; Michael G. Richmond; Ebbe Nordlander","Diastereomeric control of enantioselectivity: evidence for metal cluster catalysis","Chem.Commun.","2014","50","","7705","","10.1039/C4CC02319F","","","0.71073","MoKα","","0.1523","0.1029","","","0.1685","0.1984","","","","","","1.073","","","","has coordinates","180260","2020-10-21","18:00:00",""
"7114662","12.266","0.003","16.57","0.003","23.821","0.005","90","","90","","90","","4841.6","1.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H82 Ba O9 P2 Si3 -","- C34 H82 Ba O9 P2 Si3 -","- C136 H328 Ba4 O36 P8 Si12 -","4","1","","Kirsten Reuter; Carsten von Hanisch","Stepwise synthesis of a stable diphosphasilirane and its unexpected dimerization","Chem.Commun.","2014","50","","7709","","10.1039/C4CC02489C","","","0.71073","MoKα","","0.0504","0.0367","","","0.0824","0.1143","","","","","","1.005","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114676","16.687","0.002","21.984","0.003","9.31","0.003","90","","90","","90","","3415.3","1.3","125.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 Cl O4 P2 W -","- C35 H39 Cl O4 P2 W -","- C140 H156 Cl4 O16 P8 W4 -","4","1","","Ito, Shigekazu; Yoshifuji, Masaaki","Preparation of carbonyltungsten(0) complexes of 2-chloro-3,3-diphenyl-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene","Chemical Communications","2001","","13","1208","","10.1039/b102810n","","","0.7107","MoKα","","","0.0489","","","","0.11","","","","","","1.274","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114686","13.0656","0.0009","14.3786","0.0009","25.8201","0.0017","90","","90","","90","","4850.7","0.6","91","2","91","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RC60H~2~.2CS~2~, compound 3","","","- C82 H19 N5 S4 -","- C82 H19 N5 S4 -","- C328 H76 N20 S16 -","4","1","","Miller, Glen P.; Tetreau, Mark C.; Olmstead, Marilyn M.; Lord, Pamela A.; Balch, Alan L.","Addition of diprotic nucleophiles to a C60‒tetrazine monoadduct: structural reassignment and correction of a novel rearrangement","Chemical Communications","2001","","18","1758","","10.1039/b104151g","","","0.71073","MoKα","","0.1101","0.0872","","","0.2125","0.2314","","","","","","1.032","","","","has coordinates,has disorder","180260","2020-10-21","18:00:00",""
"7114712","7.509","0.001","35.774","0.004","5.596","0.001","90","","90","","90","","1503.2","0.4","143.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 F N O -","- C16 H22 F N O -","- C64 H88 F4 N4 O4 -","4","1","","Nishide, Kiyoharu; Hagimoto, Yuri; Hasegawa, Hiroaki; Shiro, Motoo; Node, Manabu","A novel intramolecular through-space interaction between F and CN: a strategy for the conformational control of an acyclic systemElectronic supplementary information (ESI) available: experimental procedure for the syntheses of syn- and anti-1 and 2, spectroscopic data for all compounds, a procedure for the stereoselective protonation of 2, full crystallographic data of syn- and anti-1 and anti-2. See http://www.rsc.org/suppdata/cc/b1/b107213g/","Chemical Communications","2001","","22","2394","","10.1039/b107213g","","","0.7107","MoKα","","","0.0427","","","","0.0565","","","","","","1.124","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7114735","11.4","0.002","21.835","0.006","10.935","0.005","90","","90","","90","","2721.9","1.5","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 N O2 -","- C28 H47 N O2 -","- C112 H188 N4 O8 -","4","1","","Satake, Kyosuke; Tawada, Yuko; Takami, Shizuka; Kimura, Masaru","Photochemical behavior of 2,5-di-tert-butyl-3H-azepine: unexpected formation of a dicyclopenta[b,e]pyridine derivative and a cis,cis-cyclodeca-1,6-diene derivative","Chemical Communications","2001","","15","1382","","10.1039/b101225h","","","0.71073","MoKα","","0.164","0.089","","0.178","","0.178","","","1.149","","","1.15","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114758","5.5284","0.0003","25.006","0.002","27.913","0.002","90","","90","","90","","3858.8","0.5","150.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H48 Br2 O10 -","- C39 H48 Br2 O10 -","- C156 H192 Br8 O40 -","4","1","","Oishi, Tohru; Uehara, Hisatoshi; Nagumo, Yoko; Shoji, Mitsuru; Le Brazidec, Jean-Yves; Kosaka, Masashi; Hirama, Masahiro","Practical entry into the HIJKLM ring segment of ciguatoxin CTX3C","Chemical Communications","2001","","4","381","","10.1039/b009506k","","","0.7107","MoKα","","","0.0529","","","","0.1518","","","","","","0.896","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114765","8.946","0.001","12.5","0.001","16.35","0.001","90","","90","","90","","1828.3","0.3","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Bach, Thorsten; Aechtner, Tobias; Neumüller, Bernhard","Intermolecular hydrogen binding of a chiral host and a prochiral imidazolidinone: enantioselective Norrish‒Yang cyclisation in solution","Chemical Communications","2001","","7","607","","10.1039/b100300n","","","1.54178","CuKα","","0.037","0.0343","","","0.0901","0.0925","","","","","","1.053","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7114769","9.945","0.002","14.071","0.003","16.065","0.003","90","","90","","90","","2248.1","0.8","150","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 P2 -","- C22 H40 P2 -","- C88 H160 P8 -","4","1","","Jones, Cameron; Platts, Jamie A.; Richards, Anne F.","Synthesis, crystal structure and theoretical studies of the first endo∶endo-2,4-diphosphabicyclo[1.1.0]butane","Chemical Communications","2001","","7","663","","10.1039/b100993l","","","0.71073","MoKα","","0.0466","0.0417","","","0.1223","0.1344","","","","","","1.076","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7114770","8.235","0.0004","11.1009","0.0006","23.0091","0.0015","90","","90","","90","","2103.4","0.2","183","2","183","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N3 O2 -","- C24 H27 N3 O2 -","- C96 H108 N12 O8 -","4","1","","Göbel, Angela; Imhof, Wolfgang","One-pot ruthenium catalyzed synthesis of spiro[pyrrolidin-2-one] derivatives by a [2 + 2 + 1] cycloaddition of ketimines, carbon monoxide and ethylene","Chemical Communications","2001","","7","593","","10.1039/b008290m","","","0.71073","MoKα","","0.1423","0.083","","0.1741","0.1507","","","","0.987","1.069","1.069","","","","","has coordinates","180261","2020-10-21","18:00:00",""
"7114802","9.7512","0.0014","28.576","0.004","6.0247","0.0007","90","","90","","90","","1678.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-2,6 dimethylphenyl 4 t-butylbenzamide","","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71069","MoKα","","0.0544","0.0533","","0.1428","0.1419","","","","1.173","1.174","1.174","","","","","has coordinates","180262","2020-10-21","18:00:00",""
"7114805","5.639","0.002","9.699","0.005","25.036","0.008","90","","90","","90","","1369.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Adams, Harry; Bernad Jr., Pablo L.; Hembury, Guy A.; Hunter, Christopher A.; McCabe, James F.; Eggleston, Drake S.; Haltiwanger, R. Curtis; Livingstone, David J.; D. M. Harris, Kenneth; Kariuki, Benson M.","Substituent effects on aromatic interactions in the solid state","Chemical Communications","2001","","16","1500","","10.1039/b101575n","","","0.71073","MoKα","","0.0567","0.0555","","0.1372","0.1355","","","","1.087","1.094","1.094","","","","","has coordinates","180262","2020-10-21","18:00:00",""
"7114880","13.2914","0.0005","19.1411","0.0007","29.532","0.001","90","","90","","90","","7513.3","0.5","218","2","218","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C119 H54 N6 Zn -","- C119 H54 N6 Zn -","- C476 H216 N24 Zn4 -","4","1","","D’Souza, Francis; Deviprasad, Gollapalli R.; Zandler, Melvin E.; Rath, Nigam P.","Structural studies of a non-covalently linked porphyrin‒fullerene dyad","Chemical Communications","2001","","3","267","","10.1039/b009528c","","","0.71073","MoKα","","0.1709","0.0923","","","0.1314","0.154","","","","","","1.049","","","","has coordinates","180262","2020-10-21","18:00:00",""
"7114906","13.539","0.003","21.137","0.004","21.223","0.004","90","","90","","90","","6073","2","301.2","","301.2","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C63 H65 B Cu2 F4 O2 P4 Se -","- C63 H65 B Cu2 F4 O2 P4 Se -","- C252 H260 B4 Cu8 F16 O8 P16 Se4 -","4","1","","Wing-Wah Yam, Vivian; Lam, Chi-Ho; Cheung, Kung-Kai","Syntheses and luminescence behaviour of dinuclear copper(i) selenolate and tellurolate complexes. X-Ray crystal structures of [Cu2(μ-dppm)2(μ-SePh)]BF4 and [Cu2(μ-dppm)2(μ-TePh)]BF4","Chemical Communications","2001","","6","545","","10.1039/b009676h","","","0.7107","MoKalpha","","","0.0543","","","0.071","","","","","2.979","2.979","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114907","13.546","0.002","21.094","0.003","21.274","0.003","90","","90","","90","","6078.8","1.5","301.2","","301.2","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C63 H65 B Cu2 F4 O2 P4 Te -","- C63 H65 B Cu2 F4 O2 P4 Te -","- C252 H260 B4 Cu8 F16 O8 P16 Te4 -","4","1","","Wing-Wah Yam, Vivian; Lam, Chi-Ho; Cheung, Kung-Kai","Syntheses and luminescence behaviour of dinuclear copper(i) selenolate and tellurolate complexes. X-Ray crystal structures of [Cu2(μ-dppm)2(μ-SePh)]BF4 and [Cu2(μ-dppm)2(μ-TePh)]BF4","Chemical Communications","2001","","6","545","","10.1039/b009676h","","","0.7107","MoKalpha","","","0.0553","","","0.0722","","","","","2.094","2.094","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7114936","10.3","0.002","10.536","0.002","25.81","0.006","90","","90","","90","","2800.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C120 H136 N8 O24 -","8","2","","Youn, So Won; Kim, Yong Hae; Hwang, Jeong-Wook; Do, Youngkyu","Highly diastereoselective additions of methoxyallene and acetylenes to chiral α-keto amides","Chemical Communications","2001","","11","996","","10.1039/b100355k","","","0.71073","MoKα","","0.1345","0.0333","","0.0502","0.0404","","","","0.713","0.956","0.956","","","","","has coordinates","180263","2020-10-21","18:00:00",""
"7114996","7.6659","0.0002","17.7774","0.0008","18.6479","0.001","90","","90","","90","","2541.33","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Mn O6 P -","- C26 H24 Mn O6 P -","- C104 H96 Mn4 O24 P4 -","4","1","","Son, Seung Uk; Park, Kang Hyun; Lee, Seung Jung; Chung, Young Keun; Sweigart, Dwight A.","Synthesis of planar chiral tricarbonylcyclopentadienylmanganese complexes using a Mn(CO)3+ transfer reaction","Chemical Communications","2001","","14","1290","","10.1039/b102693n","","","0.71073","MoKα","","0.0569","0.0526","","","0.1398","0.1445","","","","","","1.112","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7115041","8.2736","0.0003","11.9643","0.0006","19.746","0.002","90","","90","","90","","1954.6","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,7aS)-3-oxo-2-((2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-propionyloxy)- tetrahydro-pyrrolizine-7a-carboxylic acid methyl ester","","- C19 H20 F3 N O6 -","- C19 H20 F3 N O6 -","- C76 H80 F12 N4 O24 -","4","1","","Cordero, Franca M.; Valenza, Silvia; Machetti, Fabrizio; Brandi, Alberto","Design and synthesis of a new bicyclic dipeptide isostere","Chemical Communications","2001","","17","1590","","10.1039/b101692j","","","1.54178","CuKα","","0.0399","0.0397","","","0.1174","0.1177","","","","","","1.032","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7115042","9.4853","0.0005","11.0044","0.0005","32.8968","0.0016","90","","90","","90","","3433.8","0.3","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H60 B2 Li O3 P -","- C30 H60 B2 Li O3 P -","- C120 H240 B8 Li4 O12 P4 -","4","1","","Rudzevich, Valentyn L.; Gornitzka, Heinz; Romanenko, Vadim D.; Bertrand, Guy","Formation of the monoanion [Ar*P(BH3)(µ-BH2)2H]‒ with a symmetrically bridging hydride from the attempted synthesis of the dianion [Ar*P(BH3)3]2‒","Chemical Communications","2001","","17","1634","","10.1039/b105030n","","","0.71073","MoKα","","0.0671","0.0505","","","0.1215","0.1299","","","","","","1.078","","","","has coordinates,has disorder","180264","2020-10-21","18:00:00",""
"7115058","16.7761","0.0008","19.0238","0.0009","36.8905","0.0019","90","","90","","90","","11773.4","1","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H57 Cl2 Fe Li N2 O2 -","- C37 H57 Cl2 Fe Li N2 O2 -","- C444 H684 Cl24 Fe12 Li12 N24 O24 -","12","3","","Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.","Tuning metal coordination number by ancillary ligand steric effects: synthesis of a three-coordinate iron(ii) complex","Chemical Communications","2001","","17","1542","","10.1039/b103635c","","","0.71073","MoKα","","0.0787","0.0447","","","0.0822","0.091","","","","","","0.942","","","","has coordinates","180264","2020-10-21","18:00:00",""
"7115135","13.2214","0.0006","17.0958","0.0008","18.0413","0.0008","90","","90","","90","","4077.9","0.3","100","","100","","","","","","","","see paper","4","P 21 21 21","P 2ac 2ab","19","cyclo[(L)Pro-AMB]~3~ water solvate","cyclo-tris[(L)-prolyl-alpha-3-amino-4(methoxycarbonyl)benzoyl] water solvate","","- C42 H44 N6 O13 -","- C42 H42 N6 O13 -","- C168 H168 N24 O52 -","4","1","","Kubik, Stefan; Goddard, Richard","Intramolecular conformational control in a cyclic peptide composed of alternating l-proline and substituted 3-aminobenzoic acid subunits","Chemical Communications","2000","","7","633","","10.1039/b000568l","","","0.71073","MoKα","","0.1317","0.0595","","","0.1229","0.1438","","","","","","0.978","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115136","10.5607","0.0006","17.6047","0.001","22.7991","0.0013","90","","90","","90","","4238.8","0.4","100","","100","","","","","","","","see paper","4","P 21 21 21","P 2ac 2ab","19","cyclo[(L)Pro-AMB]~3~ acetone solvate","cyclo-tris[(L)-prolyl-alpha-3-amino-4(methoxycarbonyl)-benzoyl] acetone solvate","","- C45 H48 N6 O13 -","- C45 H48 N6 O13 -","- C180 H192 N24 O52 -","4","1","","Kubik, Stefan; Goddard, Richard","Intramolecular conformational control in a cyclic peptide composed of alternating l-proline and substituted 3-aminobenzoic acid subunits","Chemical Communications","2000","","7","633","","10.1039/b000568l","","","0.71073","MoKα","","0.1511","0.073","","","0.1439","0.1715","","","","","","0.949","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115230","13.731","0.011","20.496","0.009","13.521","0.008","90","","90","","90","","3805","4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 F12 N7 O0 P2 Ru -","- C34 H31 F12 N7 P2 Ru -","- C136 H124 F48 N28 P8 Ru4 -","4","1","","Hesek, Dusan; Inoue, Yoshihisa; Everitt, Simon R. L.; Ishida, Hitoshi; Kunieda, Mieko; Drew, Michael G. B.","Conversion of a new chiral reagent Δ-[Ru(bpy)2 (dmso)Cl]PF6 to Δ-[Ru(bpy)2(dmbpy)]PF6Cl with 96.8% retention of chirality (dmbpy = 4,4′-dimethyl-2,2′-bipyridine)","Chemical Communications","1999","","5","403","","10.1039/a809698h","","","0.71069","MoKα","","0.0972","0.0519","","","0.1444","0.1755","","","","","","0.977","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115232","12.5731","0.0004","15.4085","0.0005","29.7563","0.001","90","","90","","90","","5764.8","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H69 Eu F18 N8 O14.5 P3 -","- C36 H66 Eu F18 N8 O14.5 P3 -","- C144 H264 Eu4 F72 N32 O58 P12 -","4","1","","Aime, Silvio; Barge, Alessandro; Botta, Mauro; Howard, Judith A. K.; Kataky, Ritu; Lowe, Mark P.; Moloney, Janet M.; Parker, David; de Sousa, Alvaro S.","Dependence of the relaxivity and luminescence of gadolinium and europium amino-acid complexes on hydrogencarbonate and pH","Chemical Communications","1999","","11","1047","","10.1039/a902238d","","","0.71073","MoKα","","0.0827","0.0481","","","0.0905","0.1042","","","","","","1.081","","","","has coordinates,has disorder","193981","2020-10-21","18:00:00",""
"7115244","12.861","0.011","27.762","0.006","6.0068","0.0005","90","","90","","90","","2144.7","1.9","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl3 N O7 -","- C18 H20 Cl3 N O7 -","- C72 H80 Cl12 N4 O28 -","4","1","","Donohoe, Timothy J.; Blades, Kevin; Helliwell, Madeleine","Synthesis of amino-sugars using the directed dihydroxylation reaction","Chemical Communications","1999","","17","1733","","10.1039/a904991f","","","1.5418","CuKα","","0.0733","0.0499","","","0.1406","0.1554","","","","","","1.032","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115246","7.9","0.003","14.751","0.005","18.956","0.006","90","","90","","90","","2209","1.3","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O2 Si -","- C24 H32 O2 Si -","- C96 H128 O8 Si4 -","4","1","","Knölker, Hans-Joachim; Schmitt, Oliver; Wanzl, Günter; Baum, Gerhard","Stereoselective total synthesis of (±)-fragranol by TiCl4 promoted [2+2] cycloaddition of allyl-tert-butyldiphenylsilane and methyl methacrylate†","Chemical Communications","1999","","17","1737","","10.1039/a905019a","","","0.71073","MoKα","","0.0552","0.0523","","","0.1392","0.1421","","","","","","1.059","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115267","5.2893","0.0003","15.6927","0.0008","20.2458","0.001","90","","90","","90","","1680.47","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 B2 N2 O -","- C24 H16 B2 N2 O -","- C96 H64 B8 N8 O4 -","4","1","","Matthias Muller; Stefan Behnle; Cacilia Maichle-Mossmer; Holger F. Bettinger","Boron-nitrogen substituted perylene obtained through photocyclisation","Chem.Commun.","2014","50","","7821","","10.1039/C4CC01424C","","","1.54178","CuKα","","0.037","0.0334","","","0.0908","0.0939","","","","","","1.05","","","","has coordinates,has disorder","180266","2020-10-21","18:00:00",""
"7115268","9.9311","0.0011","14.3912","0.0016","22.008","0.002","90","","90","","90","","3145.4","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Br2 Cl Fe N2 O2 -","- C30 H40 Br2 Cl Fe N2 O2 -","- C120 H160 Br8 Cl4 Fe4 N8 O8 -","4","1","","Xin Gu; Yan Zhang; Zhen-Jiang Xu; Chi-Ming Che","Iron(III)-salan complexes catalysed highly enantioselective fluorination and hydroxylation of beta-keto esters and N-Boc oxindoles","Chem.Commun.","2014","50","","7870","","10.1039/C4CC01631A","","","0.71073","MoKα","","0.0847","0.0434","","","0.0852","0.0953","","","","","","0.941","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115269","4.08853","0.00017","11.1945","0.0006","27.8189","0.0012","90","","90","","90","","1273.24","0.1","198","","198","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N -","- C16 H12 Br N -","- C64 H48 Br4 N4 -","4","1","","Masashi Shibata; Kazunari Nakajima; Yoshiaki Nishibayashi","Enantioselective intramolecular propargylic amination using chiral copper-pybox complexes as catalysts","Chem.Commun.","2014","50","","7874","","10.1039/C4CC01676A","","","0.71075","MoKα","","","0.0365","","","","0.0705","","","","","","1","","","","has coordinates","180266","2020-10-21","18:00:00",""
"7115294","7.9717","0.0007","11.1704","0.0009","14.2796","0.001","90","","90","","90","","1271.56","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Xusheng Zhang; Min Wang; Pinhua Li; Lei Wang","n-Bu4NI/TBHP-catalyzed direct amination of allylic and benzylic C(sp3)-H with anilines under metal-free conditions","Chem.Commun.","2014","50","","8006","","10.1039/C4CC01189A","","","0.71073","MoKα","","0.0784","0.0609","","","0.142","0.1525","","","","","","1.156","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115308","11.0511","0.0018","14.426","0.002","22.603","0.004","90","","90","","90","","3603.4","1","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H39 N O4 -","- C48 H39 N O4 -","- C192 H156 N4 O16 -","4","1","","Jun Zheng; Shu-Li You","Rhodium-catalyzed direct coupling of biaryl pyridine derivatives with internal alkynes","Chem.Commun.","2014","50","","8204","","10.1039/C4cc02822H","","","0.71073","MoKα","","0.1024","0.0544","","","0.1027","0.1184","","","","","","0.975","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115349","10.0641","0.0001","11.7975","0.0002","26.192","0.0004","90","","90","","90","","3109.81","0.08","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O3 P Pd -","- C37 H36 N O3 P Pd -","- C148 H144 N4 O12 P4 Pd4 -","4","1","","Renta Jonathan Chew; Kai Yuan Teo; Yinhua Huang; Bin-Bin Li; Yongxin Li; Sumod A. Pullarkat; Pak-Hing Leung","Enantioselective phospha-Michael addition of diarylphosphines to beta,gamma-unsaturated alpha-ketoesters and amides","Chem.Commun.","2014","50","","8768","","10.1039/C4cc01610F","","","0.71073","MoKα","","0.0278","0.026","","","0.0573","0.0583","","","","","","1.026","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115357","7.5448","0.0008","9.2205","0.001","28.088","0.003","90","","90","","90","","1954","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N3 O -","- C24 H23 N3 O -","- C96 H92 N12 O4 -","4","1","","Lianke Wang; Yanfang Shen; Mingdi Yang; Xiuzhen Zhang; Weinan Xu; Qiuju Zhu; Jieying Wu; Yupeng Tian; Hongping Zhou","Novel highly emissive H-aggregates with aggregate fluorescence change in a phenylbenzoxazole-based system","Chem.Commun.","2014","50","","8723","","10.1039/C4cc02564D","","","0.71073","MoKα","","0.0386","0.0343","","","0.0935","0.0964","","","","","","1.013","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115359","7.516","0.005","9.49","0.005","27.807","0.005","90","0.005","90","0.005","90","0.005","1983.4","1.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N3 O2 -","- C24 H23 N3 O2 -","- C96 H92 N12 O8 -","4","1","","Lianke Wang; Yanfang Shen; Mingdi Yang; Xiuzhen Zhang; Weinan Xu; Qiuju Zhu; Jieying Wu; Yupeng Tian; Hongping Zhou","Novel highly emissive H-aggregates with aggregate fluorescence change in a phenylbenzoxazole-based system","Chem.Commun.","2014","50","","8723","","10.1039/C4cc02564D","","","0.71069","MoKα","","0.0389","0.0339","","","0.0983","0.107","","","","","","0.856","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115391","13.339","0.0014","15.3601","0.0016","30.918","0.003","90","","90","","90","","6334.7","1.1","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Br Cl2 N3 O6 -","- C30 H22 Br Cl2 N3 O6 -","- C240 H176 Br8 Cl16 N24 O48 -","8","2","","Fang-Le Hu; Yin Wei; Min Shi","Phosphine-catalyzed asymmetric [4+1] annulation of activated alpha,beta-unsaturated ketones with Morita-Baylis-Hillman carbonates: enantioselective synthesis of spirooxindoles containing two adjacent quaternary stereocenters","Chem.Commun.","2014","50","","8912","","10.1039/C4cc03479A","","","0.71073","MoKα","","0.1212","0.0929","","","0.2276","0.2416","","","","","","1.042","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115396","10.3254","0.0006","10.3246","0.0008","26.4259","0.0017","90","","90","","90","","2817.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 Br N2 O4 -","- C27 H21 Br N2 O4 -","- C108 H84 Br4 N8 O16 -","4","1","","Tai-Ping Gao; Jun-Bing Lin; Xiu-Qin Hu; Peng-Fei Xu","A catalytic asymmetric hetero-Diels-Alder reaction of olefinic azlactones and isatins: facile access to chiral spirooxindole dihydropyranones","Chem.Commun.","2014","50","","8934","","10.1039/C4cc03896G","","","0.71","MoKα","","0.1558","0.0668","","","0.1437","0.1732","","","","","","0.796","","","","has coordinates","180267","2020-10-21","18:00:00",""
"7115421","7.1815","0.0002","8.0509","0.0002","15.957","0.0005","90","","90","","90","","922.59","0.04","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","Simanis/Mitchell bis-ether from hexanes evaporation","","","- C11 H14 O3 -","- C11 H14 O3 -","- C44 H56 O12 -","4","1","","Simanis, Justin A.; Law, C. Marshall; Woodall, Erica L.; Hamaker, Christopher G.; Goodell, John R.; Mitchell, T. Andrew","Investigation of oxidopyrylium-alkene [5+2] cycloaddition conjugate addition cascade (C^3^) sequences","Chemical Communications (Cambridge, United Kingdom)","2014","50","65","9130","9133","10.1039/c4cc04163a","","x-ray","0.71073","MoKα","","0.0307","0.0293","","","0.0738","0.0752","","","","","","1.056","","","","has coordinates","210848","2020-10-21","18:00:00",""
"7115437","10.275","0.0012","11.4634","0.0014","18.344","0.002","90","","90","","90","","2160.7","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br Cl N3 O -","- C24 H17 Br Cl N3 O -","- C96 H68 Br4 Cl4 N12 O4 -","4","1","","Juanjuan Liu; Lanxiang Zhou; Weijian Ye; Cunde Wang","Formal [3+2] cycloaddition of 1-cyanocyclopropane 1-ester with pyridine, quinoline or isoquinoline: a general and efficient strategy for construction of cyanoindolizine skeletons","Chem.Commun.","2014","50","","9068","","10.1039/C4cc03267E","","","0.71073","MoKα","","0.0943","0.0712","","","0.1905","0.2067","","","","","","1.076","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115442","15.29","0.003","18.205","0.004","36.041","0.007","90","","90","","90","","10032","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H120 Mn6 N2 O33 Sr2 -","- C70 H120 Mn6 N2 O33 Sr2 -","- C280 H480 Mn24 N8 O132 Sr8 -","4","1","","Changhui Chen; Chunxi Zhang; Hongxing Dong; Jingquan Zhao","A synthetic model for the oxygen-evolving complex in Sr2±containing photosystem II","Chem.Commun.","2014","50","","9263","","10.1039/C4cc02349H","","","0.71073","MoKα","","0.0947","0.0813","","","0.2047","0.2202","","","","","","1.078","","","","has coordinates,has disorder","180268","2020-10-21","18:00:00",""
"7115443","10.2677","0.00014","22.1493","0.0003","23.3892","0.0004","90","","90","","90","","5319.23","0.14","108.6","0.6","108.6","0.6","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13.846 H13.846 Cl3.692 N0.923 O3.692 -","- C13.8462 H13.8462 Cl3.69231 N0.923077 O3.69231 -","- C180 H180 Cl48 N12 O48 -","13","3.25","","Nan Ma; Yiwu Yao; Bing-Xin Zhao; Ying Wang; Wen-Cai Ye; Sheng Jiang","Total synthesis of securinega alkaloids (‒)-norsecurinine, (‒)-niruroidine and (‒)-flueggine A","Chem.Commun.","2014","50","","9284","","10.1039/C4cc02575J","","","1.5418","CuKα","","0.0408","0.0357","","","","0.0887","","","","","","1.0444","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115444","5.80812","0.00019","8.2156","0.0003","21.4801","0.0007","90","","90","","90","","1024.97","0.06","173.01","0.1","173.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Nan Ma; Yiwu Yao; Bing-Xin Zhao; Ying Wang; Wen-Cai Ye; Sheng Jiang","Total synthesis of securinega alkaloids (‒)-norsecurinine, (‒)-niruroidine and (‒)-flueggine A","Chem.Commun.","2014","50","","9284","","10.1039/C4cc02575J","","","1.5418","CuKα","","0.0316","0.0286","","","0.0672","0.0691","","","","","","1.107","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115463","7.9194","0.0003","8.8519","0.0003","17.343","0.0006","90","","90","","90","","1215.77","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Cl N O3 -","- C13 H10 Cl N O3 -","- C52 H40 Cl4 N4 O12 -","4","1","","Amit Kumar; Abhimanyu Yadav; Ajay Verma; Sadhan Jana; Moh. Sattar; Shailesh Kumar; Ch. Durga Prasad; Sangit Kumar","Chemoselective arylation of phenols with bromo-nitroarenes: synthesis of nitro-biaryl-ols and their conversion into benzofurans and carbazoles","Chem.Commun.","2014","50","","9481","","10.1039/C4cc03090G","","","0.71073","MoKα","","0.0453","0.039","","","0.0966","0.1003","","","","","","1.021","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115464","7.9842","0.0014","8.9505","0.0015","17.463","0.003","90","","90","","90","","1248","0.4","305","2","305","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Br N O3 -","- C13 H10 Br N O3 -","- C52 H40 Br4 N4 O12 -","4","1","","Amit Kumar; Abhimanyu Yadav; Ajay Verma; Sadhan Jana; Moh. Sattar; Shailesh Kumar; Ch. Durga Prasad; Sangit Kumar","Chemoselective arylation of phenols with bromo-nitroarenes: synthesis of nitro-biaryl-ols and their conversion into benzofurans and carbazoles","Chem.Commun.","2014","50","","9481","","10.1039/C4cc03090G","","","0.71073","MoKα","","0.0764","0.043","","","0.1223","0.1396","","","","","","1.016","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115472","16.7488","0.0015","19.2538","0.0019","25.342","0.003","90","","90","","90","","8172.2","1.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C90 H106 N12 O2 -","- C90 H102 N12 O2 -","- C360 H408 N48 O8 -","4","1","","Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper","Guest control of structure in porous organic cages","Chem.Commun.","2014","50","","9465","","10.1039/C4cc04158E","","x-ray","0.71073","MoKα","","0.0778","0.0698","","","0.1982","0.2088","","","","","","1.031","","","","has coordinates,has disorder","180268","2020-10-21","18:00:00",""
"7115482","7.9124","0.0002","9.5931","0.0003","19.4561","0.0006","90","","90","","90","","1476.8","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N3 O2 -","- C16 H19 N3 O2 -","- C64 H76 N12 O8 -","4","1","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.0615","0.0487","","","0.1096","0.1247","","","","","","1.212","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115484","7.9428","0.0004","10.4945","0.0004","21.4599","0.0005","90","","90","","90","","1788.81","0.12","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C72 H88 N16 O24 -","4","1","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.0615","0.0447","","","0.0994","0.118","","","","","","1.124","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115487","7.6663","0.0003","13.8258","0.001","14.6694","0.0012","90","","90","","90","","1554.85","0.18","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C64 H72 N16 O8 -","4","1","","Pierre Regenass; Jean-Francois Margathe; Andre Mann; Jean Suffert; Marcel Hibert; Nicolas Girard; Dominique Bonnet","Diastereoselective synthesis of novel aza-diketopiperazines via a domino cyclohydrocarbonylation/addition process","Chem.Commun.","2014","50","","9657","","10.1039/C4cc03660C","","","0.71073","MoKα","","0.1066","0.0529","","","0.1034","0.1397","","","","","","1.075","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115489","9.7254","0.0009","9.9683","0.0009","20.395","0.0019","90","","90","","90","","1977.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O8 -","- C19 H25 N O8 -","- C76 H100 N4 O32 -","4","1","","Minghao Feng; Xuefeng Jiang","Stereoselective construction of a key hydroindole precursor of epidithiodiketopiperazine (ETP) natural products","Chem.Commun.","2014","50","","9690","","10.1039/C4cc04148H","","","0.71073","MoKα","","0.0448","0.0367","","","0.0891","0.0948","","","","","","1.044","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115493","19.7038","0.0004","23.9063","0.0004","24.8954","0.0007","90","","90","","90","","11726.9","0.5","93.1","","93.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H69 Cl3 F6 N6 O9 -","- C49 H69 Cl3 F6 N6 O9 -","- C392 H552 Cl24 F48 N48 O72 -","8","2","","Joonil Cho; Kyohei Sawaki; Shinya Hanashima; Yoshiki Yamaguchi; Motoo Shiro; Kazuhiko Saigo; Yasuhiro Ishida","Stabilization of beta-peptide helices by direct attachment of trifluoromethyl groups to peptide backbones","Chem.Commun.","2014","50","","9855","","10.1039/C4cc02136C","","","1.54187","CuKα","","","0.1065","","","","0.3023","","","","","","1.197","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115520","8.9375","0.0006","16.5265","0.0009","16.7035","0.001","90","","90","","90","","2467.2","0.3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 O4 P S -","- C23 H32 F3 O4 P S -","- C92 H128 F12 O16 P4 S4 -","4","1","","Michael H. Holthausen; Tayseer Mahdi; Christoph Schlepphorst; Lindsay J. Hounjet; Jan J. Weigand; Douglas W. Stephan","Frustrated Lewis pair-mediated C-O or C-H bond activation of ethers","Chem.Commun.","2014","50","","10038","","10.1039/C4cc01922A","","","0.71073","MoKα","","0.0413","0.0365","","","0.0851","0.0885","","","","","","1.029","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115521","8.1984","0.0001","14.7753","0.0002","15.114","0.0002","90","","90","","90","","1830.82","0.04","153","2","153","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H26 F3 O4 P S -","- C13 H26 F3 O4 P S -","- C52 H104 F12 O16 P4 S4 -","4","1","","Michael H. Holthausen; Tayseer Mahdi; Christoph Schlepphorst; Lindsay J. Hounjet; Jan J. Weigand; Douglas W. Stephan","Frustrated Lewis pair-mediated C-O or C-H bond activation of ethers","Chem.Commun.","2014","50","","10038","","10.1039/C4cc01922A","","","1.54178","CuKα","","0.0715","0.0689","","","0.1798","0.1822","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7115524","10.78","0.004","13.453","0.006","15.304","0.006","90","","90","","90","","2219.4","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Br N3 O2 -","- C24 H26 Br N3 O2 -","- C96 H104 Br4 N12 O8 -","4","1","","Yu Tan; Han-Lin Luan; Hua Lin; Xing-Wen Sun; Xiao-Di Yang; Han-Qing Dong; Guo-Qiang Lin","One-pot enantioselective construction of indoloquinolizidine derivatives bearing five contiguous stereocenters using aliphatic aldehydes, nitroethylenes, and tryptamine","Chem.Commun.","2014","50","","10027","","10.1039/C4cc01929F","","","0.71073","MoKα","","0.0465","0.0335","","","0.0429","0.0439","","","","","","1","","","","has coordinates,has disorder","180269","2020-10-21","18:00:00",""
"7115549","3.88126","0.0001","11.643","0.0003","29.5312","0.0008","90","","90","","90","","1334.5","0.06","277","","277","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 N2 -","- C20 H12 N2 -","- C80 H48 N8 -","4","1","","Youhei Takeda; Masato Okazaki; Satoshi Minakata","Oxidative skeletal rearrangement of 1,1'-binaphthalene-2,2'-diamines (BINAMs) via C-C bond cleavage and nitrogen migration: a versatile synthesis of U-shaped azaacenes","Chem.Commun.","2014","50","","10291","","10.1039/C4cc04911J","","","1.54187","CuKα","","","0.0503","","","","0.1344","","","","","","1.003","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115553","4.7643","0.0003","12.7324","0.0009","13.8685","0.001","90","","90","","90","","841.28","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H6 F3 N -","- C10 H6 F3 N -","- C40 H24 F12 N4 -","4","1","","Anton Lishchynskyi; Guillaume Berthon; Vladimir V. Grushin","Trifluoromethylation of arenediazonium salts with fluoroform-derived CuCF3 in aqueous media","Chem.Commun.","2014","50","","10237","","10.1039/C4cc04930F","","","0.71073","MoKα","","0.0302","0.0287","","","0.0805","0.0818","","","","","","1.093","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115586","18.0666","0.0013","21.1169","0.0015","22.2584","0.0015","90","","90","","90","","8491.8","1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br F2 N O3 S2 -","- C18 H18 Br F2 N O3 S2 -","- C288 H288 Br16 F32 N16 O48 S32 -","16","4","","Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu","Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines","Chem.Commun.","2014","50","","10596","","10.1039/C4cc05042H","","","0.71073","MoKα","","0.2145","0.0515","","","0.0997","0.1397","","","","","","0.864","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115587","8.7675","0.0012","10.5238","0.0014","18.173","0.002","90","","90","","90","","1676.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F2 N O S -","- C18 H18 F2 N O S -","- C72 H72 F8 N4 O4 S4 -","4","1","","Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu","Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines","Chem.Commun.","2014","50","","10596","","10.1039/C4cc05042H","","","0.71073","MoKα","","0.0858","0.0545","","","0.1057","0.1171","","","","","","0.859","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115588","10.0872","0.0009","14.0488","0.0012","16.2483","0.0014","90","","90","","90","","2302.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 F2 N O3 S2 -","- C24 H23 F2 N O3 S2 -","- C96 H92 F8 N4 O12 S8 -","4","1","","Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu","Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines","Chem.Commun.","2014","50","","10596","","10.1039/C4cc05042H","","","0.71073","MoKα","","0.0508","0.0405","","","0.0786","0.0824","","","","","","0.937","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115590","9.9519","0.0004","10.2705","0.0004","15.1165","0.0006","90","","90","","90","","1545.07","0.11","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F2 N O S -","- C16 H17 F2 N O S -","- C64 H68 F8 N4 O4 S4 -","4","1","","Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu","Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines","Chem.Commun.","2014","50","","10596","","10.1039/C4cc05042H","","","0.71073","MoKα","","0.0241","0.0237","","","0.0636","0.0639","","","","","","1.05","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115591","8.5124","0.0011","14.4301","0.0019","22.503","0.003","90","","90","","90","","2764.2","0.6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H22 Br F2 N O3 S2 -","- C31 H22 Br F2 N O3 S2 -","- C124 H88 Br4 F8 N4 O12 S8 -","4","1","","Wenchao Ye; Laijun Zhang; Chuanfa Ni; Jian Rong; Jinbo Hu","Stereoselective [3+2] cycloaddition of N-tert-butanesulfinyl imines to arynes facilitated by a removable PhSO2CF2 group: synthesis and transformation of cyclic sulfoximines","Chem.Commun.","2014","50","","10596","","10.1039/C4cc05042H","","","0.71073","MoKα","","0.1596","0.047","","","0.0677","0.0908","","","","","","0.872","","","","has coordinates","180269","2020-10-21","18:00:00",""
"7115663","5.598","0.0001","13.2848","0.0003","14.6114","0.0004","90","","90","","90","","1086.63","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","William P. Unsworth; Nicola Clark; Thomas O. Ronson; Kiri Stevens; Amber L. Thompson; Scott G. Lamont; Jeremy Robertson","Rhodium(II)-catalysed tandem aziridination and ring-opening: stereoselective synthesis of functionalised tetrahydrofurans","Chem.Commun.","2014","50","","11393","","10.1039/C4cc05159A","","","0.71073","MoKα","","0.03","0.0273","","0.0704","0.0661","0.0704","","","","","","0.9429","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115664","5.8112","0.0002","7.6935","0.0002","23.7155","0.0007","90","","90","","90","","1060.28","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","William P. Unsworth; Nicola Clark; Thomas O. Ronson; Kiri Stevens; Amber L. Thompson; Scott G. Lamont; Jeremy Robertson","Rhodium(II)-catalysed tandem aziridination and ring-opening: stereoselective synthesis of functionalised tetrahydrofurans","Chem.Commun.","2014","50","","11393","","10.1039/C4cc05159A","","","0.71073","MoKα","","0.0515","0.0395","","0.0993","0.0883","0.0989","","","","","","0.991","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115665","5.7625","0.0002","8.6145","0.0003","21.3435","0.0008","90","","90","","90","","1059.51","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","William P. Unsworth; Nicola Clark; Thomas O. Ronson; Kiri Stevens; Amber L. Thompson; Scott G. Lamont; Jeremy Robertson","Rhodium(II)-catalysed tandem aziridination and ring-opening: stereoselective synthesis of functionalised tetrahydrofurans","Chem.Commun.","2014","50","","11393","","10.1039/C4cc05159A","","","0.71073","MoKα","","0.0719","0.065","","0.1851","0.1718","0.1851","","","","","","0.9596","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7115668","9.6016","0.0019","14.338","0.003","24.574","0.005","90","","90","","90","","3383","1.2","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 O4 -","- C44 H40 O4 -","- C176 H160 O16 -","4","1","","Jin-Hua Wang; Hai-Tao Feng; Yan-Song Zheng","Synthesis of tetraphenylethylene pillar[6]arenes and the selective fast quenching of their AIE fluorescence by TNT","Chem.Commun.","2014","50","","11407","","10.1039/C4cc05189K","","","0.71073","MoKα","","0.0829","0.0743","","","0.1935","0.2004","","","","","","1.123","","","","has coordinates","180270","2020-10-21","18:00:00",""
"7115712","8.9032","0.0006","11.1649","0.0007","27.772","0.002","90","","90","","90","","2760.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 Br N2 O2 -","- C33 H26 Br N2 O2 -","- C132 H104 Br4 N8 O8 -","4","1","","Yan Liu; Hong-Hao Zhang; Yu-Chen Zhang; Yan Jiang; Feng Shi; Shu-Jiang Tu","Organocatalytic enantioselective and (Z)-selective allylation of 3-indolylmethanol via hydrogen-bond activation","Chem.Commun.","2014","50","","12054","","10.1039/C4cc02056A","","","0.71073","MoKα","","0.186","0.058","","","0.1159","0.1508","","","","","","0.952","","","","has coordinates","180271","2020-10-21","18:00:00",""
"7115802","14.4346","0.0005","15.1821","0.0006","17.0101","0.0007","90","","90","","90","","3727.7","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5,12-bis((triisopropylsilyl)ethynyl)tetracene","","- C40 H52 Si2 -","- C40 H52 Si2 -","- C160 H208 Si8 -","4","1","","Xiaomin Xu; Bowen Shan; Sergii Kalytchuk; Minghua Xie; Shuaijun Yang; Danqing Liu; Stephen V. Kershaw; Qian Miao","Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes","Chem.Commun.","2014","50","","12828","","10.1039/C4cc04627G","","","0.71073","MoKα","","0.075","0.058","","","0.1538","0.1718","","","","","","1.049","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7115804","14.4307","0.0018","15.1331","0.0018","16.975","0.002","90","","90","","90","","3707","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5,12-bis((triisopropylsilyl)ethynyl)tetracene 6, 11-bis((triisopropylsilyl)ethynyl)-5,12-diazatetracene","","- C78 H102 N2 Si4 -","- C78 H102 N2 Si4 -","- C156 H204 N4 Si8 -","2","0.5","","Xiaomin Xu; Bowen Shan; Sergii Kalytchuk; Minghua Xie; Shuaijun Yang; Danqing Liu; Stephen V. Kershaw; Qian Miao","Synthesis, solution-processed thin film transistors and solid solutions of silylethynylated diazatetracenes","Chem.Commun.","2014","50","","12828","","10.1039/C4cc04627G","","","0.71073","MoKα","","0.2493","0.1491","","","0.3014","0.3483","","","","","","1.26","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7115808","12.2327","0.0004","17.0823","0.0005","25.0444","0.0009","90","","90","","90","","5233.3","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H90 K2 Mg N6 Si4 -","- C34 H90 K2 Mg N6 Si4 -","- C136 H360 K8 Mg4 N24 Si16 -","4","1","","Sharon E. Baillie; Tobias D. Bluemke; William Clegg; Alan R. Kennedy; Jan Klett; Luca Russo; Marco de Tullio; Eva Hevia","Potassium-alkyl magnesiates: synthesis, structures and Mg-H exchange applications of aromatic and heterocyclic substrates","Chem.Commun.","2014","50","","12859","","10.1039/C4cc05305B","","","0.71073","MoKα","","0.0796","0.0418","","","0.0548","0.0596","","","","","","0.806","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115839","15.8187","0.0007","17.0756","0.0008","25.0015","0.0013","90","","90","","90","","6753.3","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H116 Cr K N2 O8 Si2 -","- C58 H116 Cr K N2 O8 Si2 -","- C232 H464 Cr4 K4 N8 O32 Si8 -","4","1","","Irene C. Cai; Michael I. Lipschutz; T. Don Tilley","A bis(amido) ligand set that supports two-coordinate chromium in the +1, +2, and +3 oxidation states","Chem.Commun.","2014","50","","13062","","10.1039/C4cc06615D","","","0.71073","MoKα","","0.0961","0.0729","","","0.1814","0.1995","","","","","","1.037","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115858","10.3843","0.0003","15.2193","0.0003","18.2734","0.0004","90","","90","","90","","2887.96","0.12","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol /2-methylcyclohexanone (1:1)","","- C35 H38 O5 -","- C35 H38 O5 -","- C140 H152 O20 -","4","1","","B. Barton; M. R. Caira; E. C. Hosten; C. W. McCleland; S. Weitz","Clathrates of TETROL: selective inclusion of methylcyclohexanones in their energetically unfavorable axial methyl conformations","Chem.Commun.","2014","50","","13353","","10.1039/C4cc06826B","","","0.71073","MoKα","","0.04","0.0335","","","0.082","0.0862","","","","","","1.03","","","","has coordinates,has disorder","180272","2020-10-21","18:00:00",""
"7115879","6.10937","0.00008","10.50654","0.00013","21.0764","0.0003","90","","90","","90","","1352.86","0.03","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F O2 -","- C16 H19 F O2 -","- C64 H76 F4 O8 -","4","1","","Fedor Romanov-Michailidis; Marion Pupier; Laure Guenee; Alexandre Alexakis","Enantioselective halogenative semi-pinacol rearrangement: a stereodivergent reaction on a racemic mixture","Chem.Commun.","2014","50","","13461","","10.1039/C4cc05923A","","","1.54184","CuKα","","0.0346","0.0328","","","0.087","0.0899","","","","","","1.032","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115880","6.83236","0.00018","7.7016","0.0002","23.5545","0.0006","90","","90","","90","","1239.44","0.06","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F2 O -","- C15 H16 F2 O -","- C60 H64 F8 O4 -","4","1","","Fedor Romanov-Michailidis; Marion Pupier; Laure Guenee; Alexandre Alexakis","Enantioselective halogenative semi-pinacol rearrangement: a stereodivergent reaction on a racemic mixture","Chem.Commun.","2014","50","","13461","","10.1039/C4cc05923A","","","1.54184","CuKα","","0.0327","0.032","","","0.0878","0.0885","","","","","","1.076","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115881","7.28437","0.00012","7.79577","0.00013","24.4543","0.0003","90","","90","","90","","1388.69","0.04","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br O -","- C16 H19 Br O -","- C64 H76 Br4 O4 -","4","1","","Fedor Romanov-Michailidis; Marion Pupier; Laure Guenee; Alexandre Alexakis","Enantioselective halogenative semi-pinacol rearrangement: a stereodivergent reaction on a racemic mixture","Chem.Commun.","2014","50","","13461","","10.1039/C4cc05923A","","","1.54184","CuKα","","0.0282","0.028","","","0.0743","0.0745","","","","","","1.078","","","","has coordinates","180272","2020-10-21","18:00:00",""
"7115908","5.2172","0.0003","12.8186","0.0006","21.7125","0.0015","90","","90","","90","","1452.07","0.15","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Br2 O4 -","- C10 H20 Br2 O4 -","- C40 H80 Br8 O16 -","4","1","","D. Christopher Braddock; Alison X. Gao; Andrew J. P. White; Mariko Whyte","Studies towards the synthesis of halomon: asymmetric hexafunctionalisation of myrcene","Chem.Commun.","2014","50","","13725","","10.1039/C4cc06234E","","","0.71073","MoKα","","0.0961","0.0543","","","0.0713","0.083","","","","","","1.069","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115913","5.3793","0.0002","13.1499","0.0005","17.4076","0.0006","90","","90","","90","","1231.37","0.08","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O6 S -","- C11 H13 N O6 S -","- C44 H52 N4 O24 S4 -","4","1","","Jin-ah Kim; Yeon Ji Seo; Soyeong Kang; Juae Han; Hyeon-Kyu Lee","Stereoselective synthesis of 4-substituted-cyclic sulfamidate-5-carboxylates by asymmetric transfer hydrogenation accompanied by dynamic kinetic resolution and applications to concise stereoselective syntheses of (‒)-epi-cytoxazone and the taxotere side-chain","Chem.Commun.","2014","50","","13706","","10.1039/C4cc06395C","","","0.71073","MoKα","","0.0261","0.0253","","","0.0722","0.0732","","","","","","1.051","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115915","11.8439","0.0004","11.8914","0.0002","22.4284","0.0006","90","","90","","90","","3158.83","0.15","99.99","0.13","99.99","0.13","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Cl N O2 -","- C20 H16 Cl N O2 -","- C160 H128 Cl8 N8 O16 -","8","2","","Bjarke S. Donslund; Kim Soholm Halskov; Lars A. Leth; Bruno Matos Paz; Karl Anker Jorgensen","Organocatalytic asymmetric strategies to carbocyclic structures by gamma-alkylation-annulation sequences","Chem.Commun.","2014","50","","13676","","10.1039/C4cc06556E","","x-ray","0.71073","MoKα","","0.0918","0.0597","","","0.1222","0.1417","","","","","","1.04","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115919","13.6073","0.0011","24.816","0.002","25.86","0.002","90","","90","","90","","8732.4","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C96 H112 Mg2 N8 O4 S -","- C96 H112 Mg2 N8 O4 S -","- C384 H448 Mg8 N32 O16 S4 -","4","1","","Sk. Asif Ikbal; Sanfaori Brahma; Sankar Prasad Rath","Transfer and control of molecular chirality in the 1 : 2 host-guest supramolecular complex consisting of Mg(II)bisporphyrin and chiral diols: the effect of H-bonding on the rationalization of chirality","Chem.Commun.","2014","50","","14037","","10.1039/C4cc06092J","","","0.71073","MoKα","","0.0768","0.0579","","","0.1399","0.1522","","","","","","1.047","","","","has coordinates,has disorder","180273","2020-10-21","18:00:00",""
"7115920","6.2745","0.0004","9.0192","0.0006","26.8007","0.0017","90","","90","","90","","1516.68","0.17","296","2","296","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","","(S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid","","- C13 H20 Cl N O5 -","- C13 H20 Cl N O5 -","- C52 H80 Cl4 N4 O20 -","4","1","","Chuanqing Kang; Lanlan Wang; Zheng Bian; Haiquan Guo; Xiaoye Ma; Xuepeng Qiu; Lianxun Gao","Supramolecular hydrogels derived from cyclic amino acids and their applications in the synthesis of Pt and Ir nanocrystals","Chem.Commun.","2014","50","","13979","","10.1039/C4cc06419D","","","0.71073","MoKα","","0.04","0.0324","","","0.0742","0.0777","","","","","","1.028","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115931","8.088","0.005","12.766","0.005","19.413","0.005","90","0.005","90","0.005","90","0.005","2004.4","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C76 H96 N8 O16 -","4","1","","Hong, Xiaohu; Wang, Hao; Liu, Bingxin; Xu, Bin","Ruthenium-catalyzed double-fold C‒H tertiary alkoxycarbonylation of arenes using di-tert-butyl dicarbonate","Chemical Communications (Cambridge, United Kingdom)","2014","50","91","14129","14132","10.1039/c4cc05173d","","","0.71073","MoKα","","0.0641","0.0427","","","0.1112","0.1248","","","","","","1.022","","","","has coordinates","211015","2020-10-21","18:00:00",""
"7115938","5.7067","0.0001","13.4355","0.0002","20.825","0.0003","90","","90","","90","","1596.7","0.04","228","2","228","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Cl N O3 -","- C19 H14 Cl N O3 -","- C76 H56 Cl4 N4 O12 -","4","1","","Tao Liang; Guilong Li; Lukasz Wojtas; Jon C. Antilla","Chiral metal phosphate catalysis: highly asymmetric hetero-Diels-Alder reactions","Chem.Commun.","2014","50","","14187","","10.1039/C4cc06520D","","","1.54178","CuKα","","0.0293","0.0281","","","0.0726","0.0736","","","","","","1.047","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115940","5.7366","0.0013","10.553","0.002","30.046","0.007","90","","90","","90","","1818.9","0.7","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Liman Kong; Xiaoyu Han; Peng Jiao","Catalytic asymmetric Diels-Alder reactions involving aryl vinyl ketones","Chem.Commun.","2014","50","","14113","","10.1039/C4cc06837H","","","0.71073","MoKα","","0.0395","0.0377","","","0.0913","0.0925","","","","","","1.071","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115951","5.5798","0.0014","15.675","0.004","19.082","0.005","90","","90","","90","","1669","0.7","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O2 -","- C19 H17 Br O2 -","- C76 H68 Br4 O8 -","4","1","","De-Yang Zhang; Fu-Lin Zhu; Ya-Hui Wang; Xin-Hu Hu; Song Chen; Chuan-Jin Hou; Xiang-Ping Hu","Highly diastereo- and enantioselective copper-catalyzed propargylic alkylation of acyclic ketone enamines for the construction of two vicinal stereocenters","Chem.Commun.","2014","50","","14459","","10.1039/C4cc06863G","","","0.71073","MoKα","","0.0542","0.0483","","","0.1008","0.1048","","","","","","1.121","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115965","6.0455","0.0005","9.354","0.0008","29.031","0.003","90","","90","","90","","1641.7","0.3","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br Fe N -","- C20 H18 Br Fe N -","- C80 H72 Br4 Fe4 N4 -","4","1","","Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian","Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage","Chem.Commun.","2014","50","","14531","","10.1039/C4cc07196D","","","0.71073","MoKα","","0.0441","0.0362","","","0.0756","0.0801","","","","","","1.055","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115968","6.0693","0.0003","17.2089","0.0011","19.2688","0.0009","90","","90","","90","","2012.55","0.19","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Fe N -","- C25 H25 Fe N -","- C100 H100 Fe4 N4 -","4","1","","Meng-Guang Zhou; Wen-Zhao Zhang; Shi-Kai Tian","Direct enantiospecific substitution of primary alpha-aminoalkylferrocenes via Lewis acid-catalyzed C-N bond cleavage","Chem.Commun.","2014","50","","14531","","10.1039/C4cc07196D","","","0.71073","MoKα","","0.0586","0.0393","","","0.0791","0.0872","","","","","","1.036","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7115978","8.9006","0.0005","16.8997","0.0009","17.3802","0.001","90","","90","","90","","2614.3","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Br N3 O4 S2 -","- C25 H23 Br N3 O4 S2 -","- C100 H92 Br4 N12 O16 S8 -","4","1","","Hao Cai; Yu Zhou; Dong Zhang; Jinyi Xu; Hong Liu","A Mannich/cyclization cascade process for the asymmetric synthesis of spirocyclic thioimidazolidineoxindoles","Chem.Commun.","2014","50","","14771","","10.1039/C4cc06000H","","","0.71073","MoKα","","0.1076","0.0435","","","0.0629","0.0724","","","","","","1.152","","","","has coordinates","180273","2020-10-21","18:00:00",""
"7116012","6.6862","0.0013","10.542","0.002","23.52","0.005","90","","90","","90","","1657.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 I N2 -","- C18 H19 I N2 -","- C72 H76 I4 N8 -","4","1","","Jun Zhang; Gengtao Zhang; Weijie Wu; Xuejun Zhang; Min Shi","Metal-free aminoamidiniumation employing N-iodosuccinimide: facile syntheses of bicyclic imidazolidiniums and cyclic vicinal diamines","Chem.Commun.","2014","50","","15052","","10.1039/C4cc07082H","","","0.71073","MoKα","","0.0278","0.0243","","","0.0519","0.053","","","","","","1.048","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116049","10.518","0.004","10.893","0.004","19.602","0.007","90","","90","","90","","2245.9","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br N O3 -","- C27 H24 Br N O3 -","- C108 H96 Br4 N4 O12 -","4","1","","Min Wang; Zi-Qiang Rong; Yu Zhao","Stereoselective synthesis of epsilon-lactones or spiro-heterocycles through NHC-catalyzed annulation: divergent reactivity by catalyst control","Chem.Commun.","2014","50","","15309","","10.1039/C4cc07788A","","","0.71073","MoKα","","0.0429","0.0368","","","0.0867","0.0892","","","","","","1.028","","","","has coordinates","180274","2020-10-21","18:00:00",""
"7116079","7.85187","0.00017","19.3756","0.0004","26.7779","0.0006","90","","90","","90","","4073.85","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2S,3R,5S)-6-(4-chlorophenyl)-1-hydroxy-2-isopropyl-3-(4-nitrophenyl)-8-oxa-6-azabicyclo[3.2.1]octan-7-one","","- C21 H21 Cl N2 O5 -","- C21 H21 Cl N2 O5 -","- C168 H168 Cl8 N16 O40 -","8","2","","Sebastien Goudedranche; David Pierrot; Thierry Constantieux; Damien Bonne; Jean Rodriguez","A temporary-bridge strategy for enantioselective organocatalyzed synthesis of aza-seven-membered rings","Chem.Commun.","2014","50","","15605","","10.1039/C4cc07731H","","x-ray","1.54184","CuKα","","0.0524","0.047","","","0.1299","0.1372","","","","","","1.033","","","","has coordinates","204136","2020-10-21","18:00:00",""
"7116123","12.3755","0.0014","12.5125","0.0015","22.536","0.003","90","","90","","90","","3489.7","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 Cl N3 O -","- C40 H30 Cl N3 O -","- C160 H120 Cl4 N12 O4 -","4","1","","Wei Tan; Xin Li; Yu-Xin Gong; Meng-Di Ge; Feng Shi","Highly diastereo- and enantioselective construction of a spiro[cyclopenta[b]indole-1,3?-oxindole] scaffold via catalytic asymmetric formal [3+2] cycloadditions","Chem.Commun.","2014","50","","15901","","10.1039/C4cc07246D","","","0.71073","MoKα","","0.0757","0.0534","","","0.1489","0.1593","","","","","","1.079","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116124","8.435","0.004","11.876","0.005","19.47","0.008","90","","90","","90","","1950.4","1.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O2 -","- C22 H24 N2 O2 -","- C88 H96 N8 O8 -","4","1","","Yu Tan; Yong-Jian Chen; Hua Lin; Han-Lin Luan; Xing-Wen Sun; Xiao-Di Yang; Guo-Qiang Lin","A highly efficient asymmetric synthesis of quaternary stereocenter-containing indolizidine and quinolizidine alkaloids using aldehydes, nitroalkenes, and unactivated cyclic ketimines","Chem.Commun.","2014","50","","15913","","10.1039/C4cc07703B","","","0.71073","MoKα","","0.056","0.0412","","","0.1084","0.1177","","","","","","1.003","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116170","9.8551","0.0009","16.1164","0.0016","24.342","0.002","90","","90","","90","","3866.2","0.6","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 F2 Ir N2 O -","- C17 H31 F2 Ir N2 O -","- C136 H248 F16 Ir8 N16 O8 -","8","2","","Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan","Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)","Chem.Commun.","2015","51","","62","","10.1039/C4cc07772E","","","0.71075","MoKα","","0.0211","0.0194","","","0.0428","0.0432","","","","","","0.983","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116173","13.3131","0.0011","20.0341","0.0017","38.159","0.003","90","","90","","90","","10177.6","1.4","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48.67 F N2 O0.33 Rh -","- C35 H48 F N2 O0.333333 Rh -","- C420 H576 F12 N24 O4 Rh12 -","12","3","","Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan","Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)","Chem.Commun.","2015","51","","62","","10.1039/C4cc07772E","","","0.71075","MoKα","","0.0651","0.0536","","","0.149","0.1592","","","","","","1.145","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116179","6.2868","0.0005","8.7137","0.0005","24.2013","0.0017","90","","90","","90","","1325.78","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H8 Cl3 N O -","- C14 H8 Cl3 N O -","- C56 H32 Cl12 N4 O4 -","4","1","","Verma, Ajay; Patel, Saket; Meenakshi, ?; Kumar, Amit; Yadav, Abhimanyu; Kumar, Shailesh; Jana, Sadhan; Sharma, Shubham; Prasad, Ch Durga; Kumar, Sangit","Transition metal free intramolecular selective oxidative C(sp(3))-N coupling: synthesis of N-aryl-isoindolinones from 2-alkylbenzamides.","Chemical communications (Cambridge, England)","2014","51","7","1371","1374","10.1039/c4cc08717h","","x-ray","0.71073","MoKα","","0.0658","0.0355","","","0.0731","0.0808","","","","","","1.03","","","","has coordinates","180275","2020-10-21","18:00:00",""
"7116228","9.4323","0.0001","10.403","0.0001","21.195","0.0002","90","","90","","90","","2079.74","0.04","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-([1,1'-biphenyl]-2-yl(1H-indol-3-yl)methyl)-4-methoxyphenol","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C112 H92 N4 O8 -","4","1","","Saha, Satyajit; Alamsetti, Santosh Kumar; Schneider, Christoph","Chiral Brønsted acid-catalyzed Friedel-Crafts alkylation of electron-rich arenes with in situ-generated ortho-quinone methides: highly enantioselective synthesis of diarylindolylmethanes and triarylmethanes.","Chemical communications (Cambridge, England)","2015","51","8","1461","1464","10.1039/c4cc08559k","","x-ray","1.54184","CuKα","","0.0269","0.0266","","","0.068","0.0684","","","","","","1.054","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116242","8.753","0.0002","13.2791","0.0004","19.75","0.0006","90","","90","","90","","2295.58","0.11","150","2","150","2","","","","","","","synthesized by the authors","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 I2 N2 -","- C24 H26 I2 N2 -","- C96 H104 I8 N8 -","4","1","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.0216","0.0197","","","0.0445","0.0452","","","","","","1.039","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116244","12.7303","0.0004","12.7933","0.0005","14.8125","0.0006","90","","90","","90","","2412.4","0.16","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 Br2 N2 O3 -","- C24 H32 Br2 N2 O3 -","- C96 H128 Br8 N8 O12 -","4","1","","Reyes-Gutiérrez, Paul E; Jirásek, Michael; Severa, Lukáš; Novotná, Pavlína; Koval, Dušan; Sázelová, Petra; Vávra, Jan; Meyer, Andreas; Císařová, Ivana; Šaman, David; Pohl, Radek; Štěpánek, Petr; Slavíček, Petr; Coe, Benjamin J.; Hájek, Miroslav; Kašička, Václav; Urbanová, Marie; Teplý, Filip","Functional helquats: helical cationic dyes with marked, switchable chiroptical properties in the visible region.","Chemical communications (Cambridge, England)","2015","51","9","1583","1586","10.1039/c4cc08967g","","","0.71073","MoKα","","0.035","0.0272","","","0.0529","0.0547","","","","","","1.027","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116259","10.031","0.006","15.109","0.009","16.199","0.01","90","","90","","90","","2455","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dipropylammonium perchlorate 18-crown-6","","","- C18 H40 Cl N O10 -","- C18 H40 Cl N O10 -","- C72 H160 Cl4 N4 O40 -","4","1","","Ji, Chengmin; Sun, Zhihua; Zhang, Shuquan; Zhao, Sangen; Chen, Tianliang; Tang, Yuanyuan; Luo, Junhua","A host-guest inclusion compound for reversible switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2015","51","12","2298","2300","10.1039/c4cc08711a","","","0.71073","MoKα","","0.0482","0.0376","","","0.0903","0.1329","","","","","","1.077","","","","has coordinates","180276","2020-10-21","18:00:00",""
"7116307","8.814","0.002","9.199","0.003","24.64","0.007","90","","90","","90","","1997.8","1","173","2","173","2","","","","","","","--","3","P 21 21 21","P 2ac 2ab","19","30julb","30julb","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","","Dethe, Dattatraya H.; Erande, Rohan D.; Mahapatra, Samarpita; Das, Saikat; B, Vijay Kumar","Protecting group free enantiospecific total syntheses of structurally diverse natural products of the tetrahydrocannabinoid family.","Chemical communications (Cambridge, England)","2015","51","14","2871","","10.1039/c4cc08562k","","","0.71073","MoKα","","0.1","0.0526","","","0.1089","0.1227","","","","","","1.083","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116312","6.9058","0.0015","12.139","0.002","15.599","0.004","90","","90","","90","","1307.7","0.5","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Yinliang Guo; Qiang Liu; Yanxing Jia","Concise synthesis of the tricyclic skeleton of crotobarin and crotogoudin via a gold-catalyzed cycloisomerization reaction","Chem.Commun.","2015","51","","889","","10.1039/C3cc48897G","","","0.71073","MoKα","","0.1283","0.0585","","","0.0972","0.1186","","","","","","1.053","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116330","9.5161","0.0002","30.1575","0.0005","45.9367","0.0008","90","","90","","90","","13183","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H136 N44 O4 Zn10 -","- C96 H129.5 N44 O4 Zn10 -","- C384 H518 N176 O16 Zn40 -","4","1","","Qi Shi; Xiaozhen Kang; Fa-Nian Shi; Jinxiang Dong","Zn10(Im)20^.^4DBF: an unprecedented 10-nodal zeolitic topology with a 10-MR channel and 10 crystallographically independent Zn atoms","Chem.Commun.","2015","51","","1131","","10.1039/C4cc07105K","","","0.71073","MoKα","","0.0709","0.056","","","0.1271","0.133","","","","","","1.055","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116340","9.976","0.0009","10.5599","0.0009","14.5715","0.0015","90","","90","","90","","1535","0.2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","compound 5","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Yu Yoshii; Takanori Otsu; Norihiko Hosokawa; Kiyosei Takasu; Kentaro Okano; Hidetoshi Tokuyama","Synthetic studies toward penitrem E: enantiocontrolled construction of B-E rings","Chem.Commun.","2015","51","","1070","","10.1039/C4cc08505A","","","0.71075","MoKα","","0.1032","0.0602","","","0.1395","0.2052","","","","","","1.219","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116384","10.9383","0.0008","11.4949","0.0008","15.5104","0.0011","90","","90","","90","","1950.2","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","organic","","- C21 H20 Cl2 O3 -","- C21 H20 Cl2 O3 -","- C84 H80 Cl8 O12 -","4","1","","Yuxiao Liu; Yongming Deng; Peter Y. Zavalij; Renhua Liu; Michael P. Doyle","An efficient route to highly enantioenrichedtetrahydroazulenes and beta-tetralones by desymmetrization reactions of delta,delta-diaryldiazoaceto-acetates","Chem.Commun.","2015","51","","565","","10.1039/C4cc08255A","","","0.71073","MoKα","","0.0253","0.0249","","","0.0523","0.0525","","","","","","1","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116388","10.2469","0.0009","10.4606","0.0009","13.5437","0.0012","90","","90","","90","","1451.7","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","Zhao-Lin He; Chun-Jiang Wang","Ag(I)-catalyzed tandem [6+3] annulation/isomerization of isocyanoacetates with fulvenes: an expedient approach to synthesize fused dihydropyridines","Chem.Commun.","2015","51","","534","","10.1039/C4cc08382B","","","0.71073","MoKα","","0.0324","0.0293","","","0.0639","0.066","","","","","","1.037","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116394","8.621","0.0009","18.3501","0.0019","19.69","0.002","90","","90","","90","","3114.9","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 B N3 -","- C39 H34 B N3 -","- C156 H136 B4 N12 -","4","1","","Xiaoqing Wang; Yanping Wu; Qingsong Liu; Zhenyu Li; Hui Yan; Chonglei Ji; Jicheng Duan; Zhipeng Liu","Aggregation-induced emission (AIE) of pyridyl-enamido-based organoboron luminophores","Chem.Commun.","2015","51","","784","","10.1039/C4cc07451C","","","0.71073","MoKα","","0.2034","0.058","","","0.088","0.119","","","","","","0.752","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116395","10.9427","0.0007","12.7077","0.0007","14.9474","0.0011","90","","90","","90","","2078.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 B F2 N2 -","- C25 H19 B F2 N2 -","- C100 H76 B4 F8 N8 -","4","1","","Xiaoqing Wang; Yanping Wu; Qingsong Liu; Zhenyu Li; Hui Yan; Chonglei Ji; Jicheng Duan; Zhipeng Liu","Aggregation-induced emission (AIE) of pyridyl-enamido-based organoboron luminophores","Chem.Commun.","2015","51","","784","","10.1039/C4cc07451C","","","0.71073","MoKα","","0.0946","0.0506","","","0.088","0.1096","","","","","","1.041","","","","has coordinates","180277","2020-10-21","18:00:00",""
"7116438","23.855","0.005","26.655","0.005","27.082","0.005","90","","90","","90","","17220","6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C132 H120 N24 -","- C132 H120 N24 -","- C528 H480 N96 -","4","1","","Huimin Ding; Yihui Yang; Bijian Li; Feng Pan; Guozhu Zhu; Matthias Zeller; Daqiang Yuan; Cheng Wang","Targeted synthesis of a large triazine-based [4+6] organic molecular cage: structure, porosity and gas separation","Chem.Commun.","2015","51","","1976","","10.1039/C4cc08883B","","","0.8","synchrotron","","0.0798","0.0603","","","0.1583","0.1734","","","","","","0.958","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116448","10.793","0.0018","11.0539","0.0018","11.3385","0.0018","90","","90","","90","","1352.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 B N P -","- C12 H21 B N P -","- C48 H84 B4 N4 P4 -","4","1","","Areli Flores-Gaspar; Silvia Orgue; Arnald Grabulosa; Antoni Riera; Xavier Verdaguer","Borane as an efficient directing group. Stereoselective 1,2-addition of organometallic reagents to borane P-stereogenic N-phosphanylimines","Chem.Commun.","2015","51","","1941","","10.1039/C4cc09106J","","","0.71073","MoKα","","0.0428","0.0383","","","0.1102","0.1167","","","","","","0.863","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116456","10.6406","0.0004","11.0802","0.0005","21.8683","0.0008","90","","90","","90","","2578.27","0.18","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N3 O8 -","- C26 H27 N3 O8 -","- C104 H108 N12 O32 -","4","1","","Pankaj Chauhan; Suruchi Mahajan; Gerhard Raabe; Dieter Enders","Organocatalytic one-pot 1,4-/1,6-/1,2-addition sequence for the stereocontrolled formation of six consecutive stereocenters","Chem.Commun.","2015","51","","2270","","10.1039/C4cc09730K","","","1.54178","CuKα","","0.028","0.028","","0.03","","0.03","","","1.004","","","1.009","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116482","24.1538","0.0005","13.7672","0.0003","12.0771","0.0003","90","","90","","90","","4016","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H68 Li2 N2 P4 -","- C36 H68 Li2 N2 P4 -","- C144 H272 Li8 N8 P16 -","4","1","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","0.71073","MoKα","","0.0448","0.0355","","","0.0784","0.0821","","","","","","1.062","","","","has coordinates,has disorder","180278","2020-10-21","18:00:00",""
"7116483","11.4257","0.0002","14.471","0.0003","15.0601","0.0003","90","","90","","90","","2490.06","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Br N Ni P2 -","- C22 H42 Br N Ni P2 -","- C88 H168 Br4 N4 Ni4 P8 -","4","1","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","1.54184","CuKα","","0.0252","0.0241","","","0.0593","0.0599","","","","","","1.034","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116486","11.0422","0.0002","14.7303","0.0002","14.7768","0.0002","90","","90","","90","","2403.52","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H43 N Ni P2 -","- C22 H43 N Ni P2 -","- C88 H172 N4 Ni4 P8 -","4","1","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","0.71073","MoKα","","0.0237","0.0204","","","0.0463","0.0474","","","","","","1.056","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116488","11.4225","0.0004","14.6398","0.0005","14.939","0.0005","90","","90","","90","","2498.15","0.15","100","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","wb30may14","","","- C23 H45 N Ni P2 -","- C23 H45 N Ni P2 -","- C92 H180 N4 Ni4 P8 -","4","1","","Kreye, Markus; Freytag, Matthias; Jones, Peter G.; Williard, Paul G.; Bernskoetter, Wesley H.; Walter, Marc D.","Homolytic H2 cleavage by a mercury-bridged Ni(i) pincer complex [{(PNP)Ni}2{μ-Hg}].","Chemical communications (Cambridge, England)","2015","51","14","2946","","10.1039/c4cc09743b","","","0.71073","","","0.0237","0.021","","","0.0488","0.0499","","","","","","1.066","","","","has coordinates","180278","2020-10-21","18:00:00",""
"7116524","8.519","0.002","9.631","0.003","24.207","0.007","90","","90","","90","","1986.1","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H19 N O -","- C28 H19 N O -","- C112 H76 N4 O4 -","4","1","","Yan-Qin He; Yu-Wu Zhong","The synthesis of 2- and 2,7-functionalized pyrene derivatives through Ru(II)-catalyzed C-H activation","Chem.Commun.","2015","51","","3411","","10.1039/C4cc09480H","","","0.71073","MoKα","","0.0702","0.0605","","","0.121","0.1259","","","","","","1.132","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116538","10.3823","0.0008","10.3886","0.0008","29.879","0.002","90","","90","","90","","3222.7","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B F2 I2 N5 -","- C32 H30 B F2 I2 N5 -","- C128 H120 B4 F8 I8 N20 -","4","1","","Bhattacharyya, Arnab; Dixit, Akanksha; Mitra, Koushambi; Banerjee, Samya; Karande, Anjali A.; Chakravarty, Akhil R.","BODIPY appended copper(ii) complexes of curcumin showing mitochondria targeted remarkable photocytotoxicity in visible light","Med. Chem. Commun.","2015","6","5","846","","10.1039/C4MD00425F","","","0.71073","MoKα","","0.0783","0.0458","","","0.1077","0.119","","","","","","0.938","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116555","8.0822","0.0004","20.8183","0.0008","30.8295","0.0013","90","","90","","90","","5187.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H37 N O26 Zn6 -","- C36 H37 N O26 Zn6 -","- C144 H148 N4 O104 Zn24 -","4","1","","Cui-Lan Chang; Xiao-Yue Qi; Jiang-Wei Zhang; Ya-Ming Qiu; Xian-Jiang Li; Xin Wang; Yu Bai; Jun-Liang Sun; Hu-Wei Liu","Facile synthesis of magnetic homochiral metal-organic frameworks for 'enantioselective fishing'","Chem.Commun.","2015","51","","3566","","10.1039/c4cc09988E","","","0.71073","MoKα","","0.0627","0.0443","","","0.1045","0.1259","","","","","","1.083","","","","has coordinates","180279","2020-10-21","18:00:00",""
"7116600","7.6696","0.0018","11.321","0.002","32.206","0.007","90","","90","","90","","2796.4","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 Cl N4 O8 Ru -","- C30 H20 Cl N4 O8 Ru -","- C120 H80 Cl4 N16 O32 Ru4 -","4","1","","Javier J. Concepcion; Diane K. Zhong; David J. Szalda; James T. Muckerman; Etsuko Fujita","Mechanism of water oxidation by [Ru(bda)(L)2]: the return of the 'blue dimer'","Chem.Commun.","2015","51","","4105","","10.1039/C4cc07968J","","","0.71073","MoKα","","0.1378","0.0745","","","0.1497","0.1693","","","","","","0.974","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116618","7.7015","0.0002","12.0371","0.0003","18.2095","0.0006","90","","90","","90","","1688.09","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cl Li N2 O3 -","- C17 H20 Cl Li N2 O3 -","- C68 H80 Cl4 Li4 N8 O12 -","4","1","","Krzysztof Ziach; Janusz Jurczak","Mirror symmetry breaking upon spontaneous crystallization from a dynamic combinatorial library of macrocyclic imines","Chem.Commun.","2015","51","","4306","","10.1039/C4cc10083B","","","0.71073","MoKα","","0.0254","0.0221","","","0.0531","0.0536","","","","","","1.003","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116661","10.5611","0.0003","15.5632","0.0005","22.4083","0.0007","90","","90","","90","","3683.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H N O -","- C1.94595 N0.108108 O0.540541 -","- C144 N8 O40 -","74","18.5","","Pei-Qiang Huang; Su-Yu Huang; Long-Hui Gao; Zhong-Yi Mao; Zong Chang; Ai-E Wang","Enantioselective total synthesis of (+)-methoxystemofoline and (+)-isomethoxystemofoline","Chem.Commun.","2015","51","","4576","","10.1039/C4cc09598G","","","0.71073","MoKα","","0.1112","0.095","","","0.2493","0.2618","","","","","","1.02","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116668","13.7114","0.0007","19.2562","0.0011","25.0769","0.0013","90","","90","","90","","6621","0.6","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72 H96 O Si4 -","- C72 H96 O Si4 -","- C288 H384 O4 Si16 -","4","1","","Takashi Matsuno; Yutaro Koyama; Satoru Hiroto; Jatish Kumar; Tsuyoshi Kawai; Hiroshi Shinokubo","Isolation of a 1,4-diketone intermediate in oxidative dimerization of 2-hydroxyanthracene and its conversion to oxahelicene","Chem.Commun.","2015","51","","4607","","10.1039/C5cc00764J","","","0.71073","","","0.0455","0.0388","","","0.087","0.0908","","","","","","1.027","","","","has coordinates","180280","2020-10-21","18:00:00",""
"7116716","10.529","0.001","11.655","0.001","12.596","0.001","90","","90","","90","","1545.7","0.2","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R,Rp)/(S,Sp)-1-([2.2]paracyclophane-4-yl)-N,N-(dimethyl)-ethylamine","","- C20 H25 N -","- C20 H25 N -","- C80 H100 N4 -","4","1","","Mirja Enders; Christian J. Friedmann; Philipp N. Plessow; Angela Bihlmeier; Martin Nieger; Wim Klopper; Stefan Brase","Unprecedented pseudo-ortho and ortho metallation of [2.2]paracyclophanes ‒ a methyl group matters","Chem.Commun.","2015","51","","4793","","10.1039/C5cc00492F","","","0.71073","MoKα","","0.038","0.0349","","","0.0865","0.0888","","","","","","1.045","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116721","11.987","0.003","12.551","0.003","14.454","0.004","90","","90","","90","","2174.6","1","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O6 -","- C24 H34 O6 -","- C96 H136 O24 -","4","1","","Devendar, Ponnam; Nayak, Vadithe Lakshma; Yadav, Dharmendra Kumar; Kumar, Arigari Niranjana; Kumar, Jonnala Kotesh; Satya Srinivas, KVN; Sridhar, Balasubramanian; Khan, Feroz; Sastry, Kakaraparthi Pandu; Ramakrishna, Sistla","Synthesis and evaluation of anticancer activity of novel andrographolide derivatives","Med. Chem. Commun.","2015","6","5","898","","10.1039/C4MD00566J","","","0.71073","MoKα","","0.0498","0.045","","","0.1114","0.1142","","","","","","1.123","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116722","12.4798","0.0016","12.7207","0.0017","14.3452","0.0019","90","","90","","90","","2277.3","0.5","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O7 -","- C24 H34 O7 -","- C96 H136 O28 -","4","1","","Devendar, Ponnam; Nayak, Vadithe Lakshma; Yadav, Dharmendra Kumar; Kumar, Arigari Niranjana; Kumar, Jonnala Kotesh; Satya Srinivas, KVN; Sridhar, Balasubramanian; Khan, Feroz; Sastry, Kakaraparthi Pandu; Ramakrishna, Sistla","Synthesis and evaluation of anticancer activity of novel andrographolide derivatives","Med. Chem. Commun.","2015","6","5","898","","10.1039/C4MD00566J","","","0.71073","MoKα","","0.0357","0.0339","","","0.0931","0.0949","","","","","","1.053","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116762","11.3743","0.0002","14.0235","0.0002","18.6496","0.0003","90","","90","","90","","2974.75","0.08","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O3 S -","- C13 H19 N O3 S -","- C104 H152 N8 O24 S8 -","8","2","","Pablo Barrio; Elsa Rodriguez; Kodai Saito; Santos Fustero; Takahiko Akiyama","Gamma-Silylboronates in the chiral Bronsted acid-catalysed allylboration of aldehydes","Chem.Commun.","2015","51","","5246","","10.1039/C4cc08598A","","x-ray","1.54184","CuKα","","0.0393","0.0386","","","0.1124","0.1139","","","","","","1.06","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116766","10.6932","0.0011","16.2784","0.0017","27.67","0.003","90","","90","","90","","4816.5","0.9","171","2","171","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H59 F6 Mn N7 O7 S2 -","- C42 H59 F6 Mn N7 O7 S2 -","- C168 H236 F24 Mn4 N28 O28 S8 -","4","1","","Yun Ji Park; Ellen M. Matson; Mark J. Nilges; Alison R. Fout","Exploring Mn-O bonding in the context of an electronically flexible secondary coordination sphere: synthesis of a Mn(III)-oxo","Chem.Commun.","2015","51","","5310","","10.1039/C4cc08603A","","","0.71073","MoKα","","0.0291","0.0268","","","0.0677","0.0693","","","","","","1.018","","","","has coordinates,has disorder","180281","2020-10-21","18:00:00",""
"7116786","5.018","0.004","11.717","0.009","18.072","0.014","90","","90","","90","","1062.6","1.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O -","- C13 H13 N O -","- C52 H52 N4 O4 -","4","1","","Robert M. Edkins; Elliott Hayden; Jonathan W. Steed; Katharina Fucke","Conserved hydrogen bonding in tetrahydrocarbazolone derivatives: influence of solution-state assembly on crystal form nucleation","Chem.Commun.","2015","51","","5314","","10.1039/C4cc10453F","","","0.6889","synchrotron","","0.082","0.0446","","","0.0956","0.1085","","","","","","0.995","","","","has coordinates","180281","2020-10-21","18:00:00",""
"7116800","10.4723","0.0009","20.7272","0.0019","21.2971","0.0019","90","","90","","90","","4622.8","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H57 N O2 Si Zr -","- C50 H57 N O2 Si Zr -","- C200 H228 N4 O8 Si4 Zr4 -","4","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0978","0.0514","","","0.092","0.1051","","","","","","0.839","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116801","9.9279","0.0007","20.7319","0.0015","20.8378","0.0016","90","","90","","90","","4288.9","0.5","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H57 N O2 Zr -","- C51 H57 N O2 Zr -","- C204 H228 N4 O8 Zr4 -","4","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0806","0.0505","","","0.1005","0.1178","","","","","","0.992","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116806","10.4071","0.0008","20.0669","0.0015","20.1804","0.0014","90","","90","","90","","4214.4","0.5","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H55 N O2 Zr -","- C51 H55 N O2 Zr -","- C204 H220 N4 O8 Zr4 -","4","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0695","0.0434","","","0.0876","0.0974","","","","","","0.98","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116807","10.5049","0.0009","20.1449","0.0017","20.7934","0.0017","90","","90","","90","","4400.3","0.6","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H59 N O2 Zr -","- C53 H59 N O2 Zr -","- C212 H236 N4 O8 Zr4 -","4","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0355","0.0326","","","0.0844","0.0869","","","","","","1.065","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116808","9.9859","0.0009","10.2631","0.001","46.379","0.005","90","","90","","90","","4753.2","0.8","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H59 N O2 Zr -","- C61 H59 N O2 Zr -","- C244 H236 N4 O8 Zr4 -","4","1","","Xiaoguang Zhou; Bing Wei; Xiu-Li Sun; Yong Tang; Zuowei Xie","Asymmetric hydroamination catalyzed by a new chiral zirconium system: reaction scope and mechanism","Chem.Commun.","2015","51","","5751","","10.1039/C4cc10032H","","","0.71073","MoKα","","0.0859","0.0533","","","0.081","0.0883","","","","","","0.961","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116812","5.0946","0.0002","14.4569","0.0005","18.2887","0.0007","90","","90","","90","","1347","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O7 -","- C13 H14 N2 O7 -","- C52 H56 N8 O28 -","4","1","","E.-K. Kim; R. Krishnamurthy","Synthesis of orotidine by intramolecular nucleosidation","Chem.Commun.","2015","51","","5618","","10.1039/C5cc00111K","","x-ray","1.54178","CuKα","","0.0292","0.0261","","","0.0647","0.0663","","","","","","1.021","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116813","6.1806","0.0013","14.641","0.003","20.36","0.004","90","","90","","90","","1842.4","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 N O7 -","- C16 H29 N O7 -","- C64 H116 N4 O28 -","4","1","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Jacco van de Streek","One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid","Chem.Commun.","2015","51","","5664","","10.1039/C5cc00440C","","","0.71073","MoKα","","0.052","0.0374","","","0.0885","0.0953","","","","","","0.983","","","","has coordinates,has disorder","180282","2020-10-21","18:00:00",""
"7116814","6.3376","0.0005","15.4586","0.0012","20.0153","0.0017","90","","90","","90","","1960.9","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 N O7 -","- C17 H31 N O7 -","- C68 H124 N4 O28 -","4","1","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Jacco van de Streek","One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid","Chem.Commun.","2015","51","","5664","","10.1039/C5cc00440C","","","0.71073","MoKα","","0.04","0.0323","","","0.0765","0.0812","","","","","","0.919","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116815","7.6206","0.0004","11.4755","0.0009","26.5274","0.0016","90","","90","","90","","2319.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O7 -","- C24 H31 N O7 -","- C96 H124 N4 O28 -","4","1","","Nikoletta B. Bathori; Luigi R. Nassimbeni; Jacco van de Streek","One hydrogen bond does not a separation make, or does it? Resolution of amines by diacetoneketogulonic acid","Chem.Commun.","2015","51","","5664","","10.1039/C5cc00440C","","","0.71073","MoKα","","0.0395","0.0365","","","0.0941","0.0968","","","","","","1.023","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116861","13.693","0.0003","21.7419","0.0005","24.2382","0.0004","90","","90","","90","","7216","0.3","170","2","170","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H76 K N15 O2 U -","- C77 H77 K N15 O2 U -","- C308 H308 K4 N60 O8 U4 -","4","1","","Markus Zegke; Gary S. Nichol; Polly L. Arnold; Jason B. Love","Catalytic one-electron reduction of uranyl(VI) to Group 1 uranyl(V) complexes via Al(III) coordination","Chem.Commun.","2015","51","","5876","","10.1039/C5cc00867K","","","0.71073","MoKα","","0.0418","0.032","","","0.0581","0.0611","","","","","","1.028","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116870","13.2582","0.0006","14.2403","0.0008","42.561","0.002","90","","90","","90","","8035.5","0.7","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C54 H52 -","- C54 H52 -","- C432 H416 -","8","2","","K. W. J. Heard; J. J. Morrison; L. Weston; C. H. Lo; L. Pirvu; J. Raftery; M. S. Little; J. J. W. McDouall; S. G. Yeates; P. Quayle","An orthogonal C-H borylation - cross-coupling strategy for the preparation of tetrasubstituted 'A2B2'-chrysene derivatives with tuneable photophysical properties","Chem.Commun.","2015","51","","6115","","10.1039/C4cc10132D","","","1.54178","CuKα","","0.0612","0.0458","","","0.1064","0.115","","","","","","1.008","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116877","5.613","0.0004","16.048","0.0014","18.9931","0.0015","90","","90","","90","","1710.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","6-nitro-2,3-diphenylimidazo[1,2-a]pyridine 1-oxide","","- C19 H17 Br N2 O3 -","- C19 H17 Br N2 O3 -","- C76 H68 Br4 N8 O12 -","4","1","","Srimanta Manna; Rishikesh Narayan; Christopher Golz; Carsten Strohmann; Andrey P. Antonchick","Regioselective annulation of nitrosopyridine with alkynes: straightforward synthesis of N-oxide-imidazopyridines","Chem.Commun.","2015","51","","6119","","10.1039/C5cc00533G","","","0.71073","MoKα","","0.0542","0.0358","","","0.0688","0.0753","","","","","","1.021","","","","has coordinates","180282","2020-10-21","18:00:00",""
"7116900","13.6222","0.0007","14.2676","0.0008","15.7854","0.0008","90","","90","","90","","3068","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 1","Ni(L1)Cl2","","- C31 H39 Cl2 N3 Ni -","- C31 H39 Cl2 N3 Ni -","- C124 H156 Cl8 N12 Ni4 -","4","1","","Blake R. Reed; Sebastian A. Stoian; Richard L. Lord; Stanislav Groysman","The aldimine effect in bis(imino)pyridine complexes: non-planar nickel(I) complexes of a bis(aldimino)pyridine ligand","Chem.Commun.","2015","51","","6496","","10.1039/C5cc00203F","","","0.71073","MoKα","","0.0401","0.0342","","","0.0765","0.0782","","","","","","1.019","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116911","7.0083","0.001","8.9587","0.0012","32.914","0.005","90","","90","","90","","2066.5","0.5","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 Cl N -","- C24 H32 Cl N -","- C96 H128 Cl4 N4 -","4","1","","Liangwei Zhang; Xiangdong Li; Yuanhong Liu; Dayong Zhang","Palladium-catalyzed highly efficient synthesis of functionalized indolizines via cross-coupling/cycloisomerization cascade","Chem.Commun.","2015","51","","6633","","10.1039/C5cc01151E","","","0.71073","MoKα","","0.0537","0.0426","","","0.1187","0.1318","","","","","","0.903","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116952","5.9906","0.0006","15.7335","0.0018","21.9353","0.0019","90","","90","","90","","2067.5","0.4","296","2","296","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","unk","","- C21 H22 N4 O4 -","- C21 H22 N4 O4 -","- C84 H88 N16 O16 -","4","1","","Bag, Subhendu Sekhar; Jana, Subhashis; Yashmeen, Afsana; De, Suranjan","Triazolo-β-aza-ε-amino acid and its aromatic analogue as novel scaffolds for β-turn peptidomimetics.","Chemical communications (Cambridge, England)","2015","51","25","5242","5245","10.1039/c4cc08414d","","x-ray","0.71073","MoKα","","0.0877","0.0501","","","0.1086","0.1248","","","","","","0.973","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116961","8.6884","0.0008","19.6749","0.0018","25.149","0.002","90","","90","","90","","4299.1","0.7","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 N4 O13 S3 -","- C42 H44 N4 O13 S3 -","- C168 H176 N16 O52 S12 -","4","1","","Zhiyuan Hu; Rory L. Arrowsmith; James A. Tyson; Vincenzo Mirabello; Haobo Ge; Ian M. Eggleston; Stanley W. Botchway; G. Dan Pantos; Sofia I. Pascu","A fluorescent Arg-Gly-Asp (RGD) peptide-naphthalenediimide (NDI) conjugate for imaging integrin alpha-v-beta3in vitro","Chem.Commun.","2015","51","","6901","","10.1039/C4cc08265F","","","0.6904","MoKα","","0.1203","0.0529","","0.0905","0.0569","0.0569","","","","","","1.1079","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116967","5.2561","0.0011","9.121","0.002","24.027","0.005","90","","90","","90","","1151.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 O2 -","- C18 H10 O2 -","- C72 H40 O8 -","4","1","","Ruth Dorel; Carlos Manzano; Maricarmen Grisoli; We-Hyo Soe; Christian Joachim; Antonio M. Echavarren","Tetrabenzocircumpyrene: a nanographene fragment with an embedded peripentacene core","Chem.Commun.","2015","51","","6932","","10.1039/C5cc00693G","","","0.71073","MoKα","","0.073","0.0555","","","0.1338","0.1431","","","","","","1.052","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116981","11.279","0.0006","16.1962","0.0008","17.5843","0.0009","90","","90","","90","","3212.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H29 N O3 P2 -","- C39 H29 N O3 P2 -","- C156 H116 N4 O12 P8 -","4","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.0513","0.0421","","","0.1054","0.112","","","","","","1.042","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116982","11.281","0.0005","16.1001","0.0008","17.7437","0.0007","90","","90","","90","","3222.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H29 N O4 P2 -","- C39 H29 N O4 P2 -","- C156 H116 N4 O16 P8 -","4","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.0982","0.0586","","","0.0989","0.112","","","","","","0.964","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116983","11.1755","0.0011","15.95","0.002","18.117","0.002","90","","90","","90","","3229.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 N O4 P2 -","- C40 H31 N O4 P2 -","- C160 H124 N4 O16 P8 -","4","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.1305","0.0765","","","0.1258","0.1471","","","","","","1.043","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116986","11.335","0.0006","17.7472","0.0012","16.1457","0.0008","90","","90","","90","","3247.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H33 N O4 P2 -","- C39 H33 N O4 P2 -","- C156 H132 N4 O16 P8 -","4","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.0651","0.0564","","","0.1529","0.161","","","","","","1.033","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116987","11.3101","0.001","17.7378","0.0017","16.0426","0.0014","90","","90","","90","","3218.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H33 N O4 P2 -","- C39 H33 N O4 P2 -","- C156 H132 N4 O16 P8 -","4","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.0581","0.0487","","","0.1275","0.1354","","","","","","1.04","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116989","11.326","0.002","15.94","0.003","17.593","0.003","90","","90","","90","","3176.2","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H33 N O4 P2 -","- C39 H33 N O4 P2 -","- C156 H132 N4 O16 P8 -","4","1","","G. Gangadhararao; R. N. Prasad Tulichala; K. C. Kumara Swamy","Spontaneous resolution upon crystallization of allenyl-bis-phosphine oxides","Chem.Commun.","2015","51","","7168","","10.1039/C5cc00232J","","","0.71073","MoKα","","0.0405","0.0402","","","0.1076","0.1079","","","","","","1.084","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7116992","9.009","0.0005","12.9189","0.0008","14.1739","0.001","90","","90","","90","","1649.65","0.18","294.12","0.1","294.12","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 B10 -","- C12 H22 B10 -","- C48 H88 B40 -","4","1","","Ke Cao; Yawen Huang; Junxiao Yang; Ji Wu","Palladium catalyzed selective mono-arylation of o-carboranes via B-H activation","Chem.Commun.","2015","51","","7257","","10.1039/C5cc01331C","","","0.71073","MoKα","","0.1265","0.0736","","","0.174","0.2084","","","","","","1.068","","","","has coordinates","180283","2020-10-21","18:00:00",""
"7117047","11.2139","0.0005","17.371","0.0006","23.2242","0.0011","90","","90","","90","","4524","0.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H67 N O2 Zr -","- C48 H67 N O2 Zr -","- C192 H268 N4 O8 Zr4 -","4","1","","Qiu Sun; Yaorong Wang; Dan Yuan; Yingming Yao; Qi Shen","Zirconium catalysed intermolecular hydroamination reactions of secondary amines with alkynes","Chem.Commun.","2015","51","","7633","","10.1039/C5cc01780G","","","0.71073","MoKα","","0.0582","0.0469","","","0.1097","0.1162","","","","","","1.048","","","","has coordinates,has disorder","180284","2020-10-21","18:00:00",""
"7117053","9.6741","0.0004","10.9465","0.0006","29.0292","0.0011","90","","90","","90","","3074.1","0.2","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Fe Si -","- C18 H18 Fe Si -","- C144 H144 Fe8 Si8 -","8","2","","Takanori Shibata; Tsubasa Shizuno; Tomoya Sasaki","Enantioselective synthesis of planar-chiral benzosiloloferrocenes by Rh-catalyzed intramolecular C-H silylation","Chem.Commun.","2015","51","","7802","","10.1039/C5cc00723B","","","0.71075","MoKα","","0.0583","0.0371","","","0.0826","0.1036","","","","","","0.882","","","","has coordinates","180284","2020-10-21","18:00:00",""
"7117100","10.9624","0.0005","11.2771","0.0005","12.2022","0.0006","90","","90","","90","","1508.49","0.12","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(tert-butyl)-6,9-dimethoxy-2-azaspiro[4.5]deca-6,9-diene-1,8-dione","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Alejandra Millan-Ortiz; German Lopez-Valdez; Fernando Cortez-Guzman; Luis D. Miranda","A novel carbamoyl radical based dearomatizing spiroacylation process","Chem.Commun.","2015","51","","8345","","10.1039/C4cc06192F","","","0.71073","MoKα","","0.0504","0.0408","","","0.0939","0.1009","","","","","","1.035","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117128","9.942","0.005","14.412","0.005","18.805","0.005","90","","90","","90","","2694.5","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N4 O10 -","- C28 H28 N4 O10 -","- C112 H112 N16 O40 -","4","1","","M. Pandeeswar; Harshavardhan Khare; Suryanarayanarao Ramakumar; T. Govindaraju","Crystallographic insight-guided nanoarchitectonics and conductivity modulation of an n-type organic semiconductor through peptide conjugation","Chem.Commun.","2015","51","","8315","","10.1039/C5cc01996F","","","0.71073","MoKα","","0.0939","0.0768","","","0.1848","0.2021","","","","","","1.041","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117129","9.9943","0.0015","14.47","0.002","18.796","0.003","90","","90","","90","","2718.2","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N4 O10 -","- C28 H28 N4 O10 -","- C112 H112 N16 O40 -","4","1","","M. Pandeeswar; Harshavardhan Khare; Suryanarayanarao Ramakumar; T. Govindaraju","Crystallographic insight-guided nanoarchitectonics and conductivity modulation of an n-type organic semiconductor through peptide conjugation","Chem.Commun.","2015","51","","8315","","10.1039/C5cc01996F","","","0.71073","MoKα","","0.0721","0.0521","","","0.1127","0.1211","","","","","","1.049","","","","has coordinates","180285","2020-10-21","18:00:00",""
"7117132","9.3195","0.0004","10.8944","0.0005","14.3609","0.0007","90","","90","","90","","1458.07","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl N O3 -","- C18 H12 Cl N O3 -","- C72 H48 Cl4 N4 O12 -","4","1","","Lin, Youqiang; Yang, Limin; Deng, Yue; Zhong, Guofu","Cooperative catalysis of N-heterocyclic carbene and Brønsted acid for a highly enantioselective route to unprotected spiro-indoline-pyrans","Chemical Communications (Cambridge, United Kingdom)","2015","51","39","8330","8333","10.1039/c5cc02096d","","","0.71073","MoKα","","0.0637","0.0351","","","0.0724","0.0917","","","","","","1.003","","","","has coordinates","211001","2020-10-21","18:00:00",""
"7117183","8.435","0.0017","12.595","0.003","22.468","0.005","90","","90","","90","","2387","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","UO2(dbsf)(phen)","","- C26 H16 N2 O8 S U -","- C26 H16 N2 O8 S U -","- C104 H64 N8 O32 S4 U4 -","4","1","","Shu-wen An; Lei Mei; Cong-zhi Wang; Chuan-qin Xia; Zhi-fang Chai; Wei-qun Shi","The first case of actinide triple helices: pH-dependent structural evolution and kinetically-controlled transformation of two supramolecular conformational isomers","Chem.Commun.","2015","51","","8978","","10.1039/C5cc02646F","","","0.71073","MoKα","","0.0367","0.0366","","","0.0918","0.0919","","","","","","1.047","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117187","5.438","0.0007","10.4231","0.0015","22.933","0.003","90","","90","","90","","1299.9","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3aR,6aS)-5-((S)-4-amino-4-carboxybutanoyl)-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylic acid","","- C11 H16 N3 O7 -","- C11 H17 N3 O7 -","- C44 H68 N12 O28 -","4","1","","Tamborini, Lucia; Mastronardi, Federica; Dall'Oglio, Federica; De Micheli, Carlo; Nielsen, Birgitte; Lo Presti, Leonardo; Conti, Paola; Pinto, Andrea","Synthesis of unusual isoxazoline containingβandγ-dipeptides as potential glutamate receptor ligands","Med. Chem. Commun.","2015","6","7","1260","","10.1039/C5MD00159E","","","0.71073","MoKα","","0.1337","0.0496","","","0.0769","0.099","","","","","","1.005","","","","has coordinates","143716","2020-10-21","18:00:00",""
"7117190","7.7459","0.0006","9.8069","0.0008","25.602","0.0019","90","","90","","90","","1944.8","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F4 N O4 S -","- C17 H21 F4 N O4 S -","- C68 H84 F16 N4 O16 S4 -","4","1","","Chen Xie; Yanling Dai; Haibo Mei; Jianlin Han; Vadim A. Soloshonok; Yi Pan","Asymmetric synthesis of quaternary alpha-fluoro-beta-keto-amines via detrifluoroacetylative Mannich reactions","Chem.Commun.","2015","51","","9149","","10.1039/C5cc02256H","","","0.71073","MoKα","","0.0438","0.0342","","","0.0659","0.0695","","","","","","1.049","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117191","10.2175","0.0012","12.1386","0.0014","19.641","0.002","90","","90","","90","","2436","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Br Cl3 N2 O4 -","- C22 H20 Br Cl3 N2 O4 -","- C88 H80 Br4 Cl12 N8 O16 -","4","1","","Wu-Lin Yang; Yang-Zi Liu; Shuai Luo; Xingxin Yu; John S. Fossey; Wei-Ping Deng","The copper-catalyzed asymmetric construction of a dispiropyrrolidine skeleton via 1,3-dipolar cycloaddition of azomethine ylides to alpha-alkylidene succinimides","Chem.Commun.","2015","51","","9212","","10.1039/C5cc02362A","","","0.71073","MoKα","","0.0877","0.0638","","","0.1817","0.198","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117233","10.3658","0.001","18.6942","0.0018","23.794","0.002","90","","90","","90","","4610.8","0.7","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H68 Cl Fe In N2 O4 -","- C48 H68 Cl Fe In N2 O4 -","- C192 H272 Cl4 Fe4 In4 N8 O16 -","4","1","","Stephanie M. Quan; Paula L. Diaconescu","High activity of an indium alkoxide complex toward ring opening polymerization of cyclic esters","Chem.Commun.","2015","51","","9643","","10.1039/C5cc01312G","","","0.71073","MoKα","","0.0234","0.0225","","","0.0506","0.051","","","","","","1.107","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117252","6.1999","0.0005","13.2765","0.0011","23.277","0.002","90","","90","","90","","1916","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C84 H76 Cl4 N8 O12 -","4","1","","Santosh Agrawal; Nagaraju Molleti; Vinod K. Singh","Organocatalytic enantio- and diastereoselective synthesis of highly substituted ?-lactones via a Michael-cyclization cascade","Chem.Commun.","2015","51","","9793","","10.1039/C5cc02776D","","","0.71073","MoKα","","0.1017","0.0535","","","0.1235","0.1515","","","","","","1.029","","","","has coordinates","137872","2020-10-21","18:00:00",""
"7117279","9.7332","0.0003","12.3327","0.0003","15.1571","0.0004","90","","90","","90","","1819.41","0.09","115","7","115","7","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,E)-methyl 2-hydroxy-4-phenyl-2-((2-phenyloxazol-5-yl)methyl)but-3-enoate","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Weiwei Luo; Jiannan Zhao; Jie Ji; Lili Lin; Xiaohua Liu; Hongjiang Mei; Xiaoming Feng","A catalytic asymmetric carbonyl-ene reaction of beta,gamma-unsaturated alpha-ketoesters with 5-methyleneoxazolines","Chem.Commun.","2015","51","","10042","","10.1039/C5cc02748A","","x-ray","1.54184","CuKα","","0.0517","0.05","","","0.1239","0.1267","","","","","","1.058","","","","has coordinates","138337","2020-10-21","18:00:00",""
"7117280","9.8442","0.0003","12.3537","0.0003","16.5313","0.0006","90","","90","","90","","2010.41","0.11","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-ethyl 2-hydroxy-4-phenyl-2-((2-phenyloxazol-5-yl)methyl)but-3-ynoate","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","Weiwei Luo; Jiannan Zhao; Jie Ji; Lili Lin; Xiaohua Liu; Hongjiang Mei; Xiaoming Feng","A catalytic asymmetric carbonyl-ene reaction of beta,gamma-unsaturated alpha-ketoesters with 5-methyleneoxazolines","Chem.Commun.","2015","51","","10042","","10.1039/C5cc02748A","","x-ray","1.54184","CuKα","","0.056","0.0527","","","0.1417","0.1465","","","","","","1.038","","","","has coordinates","138337","2020-10-21","18:00:00",""
"7117281","7.89498","0.00015","11.4535","0.0002","16.5401","0.0003","90","","90","","90","","1495.64","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Jin-Miao Tian; Yong-Hai Yuan; Yong-Qiang Tu; Fu-Min Zhang; Xiao-Bo Zhang; Shi-Heng Zhang; Shao-Hua Wang; Xiao-Ming Zhang","The design of a spiro-pyrrolidine organocatalyst and its application to catalytic asymmetric Michael addition for the construction of all-carbon quaternary centers","Chem.Commun.","2015","51","","9979","","10.1039/C5cc02765A","","","1.54184","CuKα","","0.0432","0.0421","","","0.1162","0.1183","","","","","","1.058","","","","has coordinates","138338","2020-10-21","18:00:00",""
"7117295","9.8749","0.0006","10.7553","0.0006","29.0217","0.0018","90","","90","","90","","3082.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Cl4 O2 P2 Pt -","- C30 H34 Cl4 O2 P2 Pt -","- C120 H136 Cl16 O8 P8 Pt4 -","4","1","","E. Louise Hazeland; Andy M. Chapman; Paul G. Pringle; Hazel A. Sparkes","A one-step, modular route to optically-active diphos ligands","Chem.Commun.","2015","51","","10206","","10.1039/C5cc03517A","","","0.71073","MoKα","","0.0173","0.0159","","","0.0367","0.0371","","","","","","1.032","","","","has coordinates","139045","2020-10-21","18:00:00",""
"7117358","5.1792","0.0004","11.1118","0.0009","36.24","0.003","90","","90","","90","","2085.6","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O4 -","- C23 H24 Br N O4 -","- C92 H96 Br4 N4 O16 -","4","1","","Shutao Sun; Ying Mao; Hongxiang Lou; Lei Liu","Copper(II)/amine synergistically catalyzed enantioselective alkylation of cyclic N-acyl hemiaminals with aldehydes","Chem.Commun.","2015","51","","10691","","10.1039/C5cc03314D","","","0.71073","MoKα","","0.0941","0.0467","","","0.0666","0.0732","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117394","12.6647","0.0004","15.6022","0.0007","17.2534","0.0008","90","","90","","90","","3409.2","0.2","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 Cu2 F6 N6 O9 S2 -","- C22 H40 Cu2 F6 N6 O9 S2 -","- C88 H160 Cu8 F24 N24 O36 S8 -","4","1","","Mohammad S. Askari; MaylisOriob; Xavier Ottenwaelder","Controlled nitrene transfer from a tyrosinase-like arylnitroso-copper complex","Chem.Commun.","2015","51","","11206","","10.1039/C5cc02806J","","","1.54178","CuKα","","0.0868","0.0503","","","0.1047","0.1208","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117404","6.6033","0.0011","13.917","0.002","27.99","0.005","90","","90","","90","","2572.2","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N O5 -","- C29 H24 Cl N O5 -","- C116 H96 Cl4 N4 O20 -","4","1","","Guofeng Li; Wangsheng Sun; Jingyi Li; Fengjing Jia; Liang Hong; Rui Wang","Organocatalytic enantioselective formal arylation of azlactones using quinones as the aromatic partner","Chem.Commun.","2015","51","","11280","","10.1039/C5cc03677A","","","0.71073","MoKα","","0.0865","0.0485","","","0.1078","0.1251","","","","","","1.018","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117412","6.9776","0.0001","12.8353","0.0001","25.7684","0.0003","90","","90","","90","","2307.81","0.05","293","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N3 O4 -","- C26 H23 N3 O4 -","- C104 H92 N12 O16 -","4","1","","Tianyu Huang; Lili Lin; Xiaolei Hu; Jianfeng Zheng; Xiaohua Liu; Xiaoming Feng","Kinetic resolution of 2,3-epoxy 3-aryl ketones via catalytic asymmetric ring-opening with pyrazole derivatives","Chem.Commun.","2015","51","","11374","","10.1039/C5cc02179K","","x-ray","1.54184","CuKα","","0.0476","0.0446","","","0.1249","0.1288","","","","","","1.026","","","","has coordinates","140000","2020-10-21","18:00:00",""
"7117443","10.2867","0.0004","17.0328","0.0007","26.8808","0.0011","90","","90","","90","","4709.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ZnCbzMOF","","","- C50 H47 N5 O12 Zn2 -","- C50 H47 N5 O12 Zn2 -","- C200 H188 N20 O48 Zn8 -","4","1","","Lifshits, Liubov M.; Noll, Bruce C.; Klosterman, Jeremy K.","A supramolecular approach for designing emissive solid-state carbazole arrays.","Chemical communications (Cambridge, England)","2015","51","58","11603","11606","10.1039/c5cc03515e","","","1.54178","CuKα","","0.0201","0.02","","","0.0499","0.05","","","","","","1.088","","","","has coordinates","141476","2020-10-21","18:00:00",""
"7117447","8.4147","0.00008","11.96874","0.00011","21.5473","0.0002","90","","90","","90","","2170.1","0.04","121","2","121","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O6 -","- C22 H29 N O6 -","- C88 H116 N4 O24 -","4","1","","Zhou, Yuhang; Lin, Lili; Yin, Chengkai; Wang, Zhengmeng; Liu, Xiaohua; Feng, Xiaoming","The N,N'-dioxide/Ni(ii)-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of methyleneindolinones with hetero-substituted alkenes.","Chemical communications (Cambridge, England)","2015","51","58","11689","11692","10.1039/c5cc04245c","","x-ray","1.54184","CuKα","","0.0469","0.0461","","","0.1201","0.1213","","","","","","1.05","","","","has coordinates","141480","2020-10-21","18:00:00",""
"7117460","5.7682","0.0002","7.7444","0.0003","39.9505","0.0014","90","","90","","90","","1784.64","0.11","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(Naphthalen-2-yl)-2-((2R,4R)-2-pentyl-1,3-dioxan-4-yl)ethanone","","- C21 H26 O3 -","- C21 H26 O3 -","- C84 H104 O12 -","4","1","","Akira Matsumoto; Keisuke Asano; Seijiro Matsubara","A chiral phosphoric acid catalyst for asymmetric construction of 1,3-dioxanes","Chem.Commun.","2015","51","","11693","","10.1039/C5cc04124D","","","1.54187","CuKα","","0.0732","0.0683","","","0.1808","0.1857","","","","","","1.11","","","","has coordinates","142199","2020-10-21","18:00:00",""
"7117463","7.3992","0.0004","9.2492","0.0007","18.3176","0.0011","90","","90","","90","","1253.6","0.14","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N2 O -","- C11 H18 N2 O -","- C44 H72 N8 O4 -","4","1","","Su, Wei; Gong, Tian-Jun; Xiao, Bin; Fu, Yao","Rhodium(III)-catalyzed cyanation of vinylic C‒H bonds: N-cyano-N-phenyl-p-toluenesulfonamide as a cyanation reagent","Chemical Communications (Cambridge, United Kingdom)","2015","51","59","11848","11851","10.1039/c4cc09790d","","","1.54184","CuKα","","0.0624","0.0457","","","0.1288","0.1672","","","","","","1.065","","","","has coordinates","209765","2020-10-21","18:00:00",""
"7117465","9.4643","0.0004","19.6586","0.001","31.9809","0.0013","90","","90","","90","","5950.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H88 N12 O12 -","- C48 H88 N12 O12 -","- C192 H352 N48 O48 -","4","1","","Julien Maury; Bryden A. F. Le Bailly; James Raftery; Jonathan Clayden","Conformational cooperativity between helical domains of differing geometry in oligoamide-oligourea foldamer chimeras","Chem.Commun.","2015","51","","11802","","10.1039/C5cc02995C","","","1.54178","CuKα","","0.0666","0.0608","","","0.1841","0.1892","","","","","","1.094","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117491","30.676","","12.323","","11.7","","90","","90","","90","","4422.84","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Os10 C (C O)24 I2","","- C25 I2 O24 Os10 -","- C25 I2 O24 Os10 -","- C100 I8 O96 Os40 -","4","1","","Farrar, D.H.; Jackson, P.G.; Johnson, B.F.G.; Lewis, J.; McPartlin, M.; Vargas, M.D.; Nelson, W.J.H.","Reversible Os-Os bond breaking in the high nuclearity carbido-dianion (Os10 C (C O)24)(2-) on reaction with halogens; X-Ray structure analysis of (Ph3 P)2 N Os10 C (C O)24 I and Os10 C (C O)24 I2","Journal of the Chemical Society. Chemical Communications (1972-)","1981","1981","","1009","1011","","","","","","","","","","","","","","","","","","","","","","has coordinates","148890","2020-10-21","18:00:00",""
"7117554","7.5804","0.0012","7.9279","0.0013","18.431","0.003","90","","90","","90","","1107.6","0.3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 B F3 N3 O2 -","- C9 H9 B F3 N3 O2 -","- C36 H36 B4 F12 N12 O8 -","4","1","","Chansaenpak, Kantapat; Wang, Mengzhe; Wu, Zhanhong; Zaman, Rehmat; Li, Zibo; Gabbaï, François P","[^18^F]‒NHC‒BF~3~ adducts as water stable radio-prosthetic groups for PET imaging","Chemical Communications (Cambridge, United Kingdom)","2015","51","62","12439","12442","10.1039/c5cc04545b","","","0.71073","MoKα","","0.11","0.1079","","","0.2751","0.2763","","","","","","1.099","","","","has coordinates","209685","2020-10-21","18:00:00",""
"7117627","11.0927","0.0007","15.2908","0.0009","17.2201","0.001","90","","90","","90","","2920.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Cl3 N2 O7 -","- C27 H29 Cl3 N2 O7 -","- C108 H116 Cl12 N8 O28 -","4","1","","Zhou, Rui; Wu, Qinjie; Guo, Mingrui; Huang, Wei; He, Xianghong; Yang, Lei; Peng, Fu; He, Gu; Han, Bo","Organocatalytic cascade reaction for the asymmetric synthesis of novel chroman-fused spirooxindoles that potently inhibit cancer cell proliferation.","Chemical communications (Cambridge, England)","2015","51","66","13113","13116","10.1039/c5cc04968g","","","1.54184","CuKα","","0.0751","0.0532","","","0.1389","0.1619","","","","","","1.033","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7117629","4.8359","0.0006","6.4223","0.0008","30.645","0.004","90","","90","","90","","951.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 F3 N O3 -","- C9 H6 F3 N O3 -","- C36 H24 F12 N4 O12 -","4","1","","Duan, Yaya; Zhou, Bin; Lin, Jin-Hong; Xiao, Ji-Chang","Diastereoselective Johnson-Corey-Chaykovsky trifluoroethylidenation.","Chemical communications (Cambridge, England)","2015","51","66","13127","13130","10.1039/c5cc04991a","","","0.71073","MoKα","","0.0559","0.0483","","","0.1313","0.1383","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117645","5.8037","0.0006","15.049","0.0014","15.033","0.002","90","","90","","90","","1313","0.3","180.01","0.1","180.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","","Haiqing Luo; Guojiao Wu; Shuai Xu; Kang Wang; Chaoqiang Wu; Yan Zhang; Jianbo Wang","Palladium-catalyzed cross-coupling of aryl fluorides with N-tosylhydrazones via C-F bond activation","Chem.Commun.","2015","51","","13321","","10.1039/C5cc05035A","","","0.71073","MoKα","","0.054","0.0426","","","0.0953","0.1036","","","","","","1.066","","","","has coordinates","153728","2020-10-21","18:00:00",""
"7117667","8.30101","0.0001","10.28989","0.00017","23.4389","0.0003","90","","90","","90","","2002.07","0.05","150","0.14","150","0.14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dimethyl (2S,3R)-3-(3-bromophenyl)-2-cyano-2-(phenylsulfonyl)cyclopropane-1,1-dicarboxylate","","- C20 H16 Br N O6 S -","- C20 H16 Br N O6 S -","- C80 H64 Br4 N4 O24 S4 -","4","1","","Lewis S. Aitken; Lisa E. Hammond; Rajkumar Sundaram; Kenneth Shankland; Geoffrey D. Brown; Alexander J. A. Cobb","Asymmetric cyclopropanation of conjugated cyanosulfones using a novel cupreine organocatalyst: rapid access to delta^3^-amino acids","Chem.Commun.","2015","51","","13558","","10.1039/C5cc05158D","","x-ray","0.71073","MoKα","","0.0455","0.0372","","","0.0707","0.073","","","","","","1.086","","","","has coordinates","153765","2020-10-21","18:00:00",""
"7117677","9.671","0.003","10.892","0.003","21.822","0.006","90","","90","","90","","2298.7","1.1","295.03","0.1","295.03","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br F3 O3 -","- C24 H22 Br F3 O3 -","- C96 H88 Br4 F12 O12 -","4","1","","Bjarke S. Donslund; Alicia Monleon; Jesper Larsen; Lise Ibsen; Karl Anker Jorgensen","The stereoselective formation of highly substituted CF3-dihydropyrans as versatile building blocks","Chem.Commun.","2015","51","","13666","","10.1039/C5cc04874E","","x-ray","0.71073","MoKα","","0.1616","0.0803","","","0.1542","0.1943","","","","","","1.038","","","","has coordinates","153771","2020-10-21","18:00:00",""
"7117680","7.466","0.008","13.997","0.009","20.362","0.012","90","","90","","90","","2128","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O5 S -","- C23 H27 N O5 S -","- C92 H108 N4 O20 S4 -","4","1","","Santosh J. Gharpure; V. Prasath; Vinod Kumar","Stereoselective synthesis of 2,3-disubstituted indoline, pyrrolidine and cyclic ether-fused 1,2-dihydroquinoline derivatives using alkyne iminium ion cyclization of vinylogous carbamates: switch of regioselectivity using an internal hydroxy group as a nucleophile","Chem.Commun.","2015","51","","13623","","10.1039/C5cc05292K","","","1.5419","CuKα","","","0.0351","","","","0.1143","","","","","","1.119","","","","has coordinates","153772","2020-10-21","18:00:00",""
"7117687","12.1048","0.0002","16.0393","0.0003","21.3761","0.0004","90","","90","","90","","4150.22","0.13","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","ABB_AL_125","","- C43 H51 B Cl2 F4 N2 O -","- C43 H51 B Cl2 F4 N2 O -","- C172 H204 B4 Cl8 F16 N8 O4 -","4","1","","Anup Bhunia; Shridhar Thorat; Rajesh G. Gonnade; Akkattu T. Biju","Reaction of N-heterocyclic carbenes with chalcones leading to the synthesis of deoxy-Breslow intermediates in their oxidized form","Chem.Commun.","2015","51","","13690","","10.1039/C5cc05800G","","","0.71073","MoKα","","0.0419","0.0384","","","0.0805","0.0824","","","","","","1.004","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117717","10.1194","0.0014","11.6313","0.0016","12.1672","0.0017","90","","90","","90","","1432.1","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 S2 -","- C14 H20 O2 S2 -","- C56 H80 O8 S8 -","4","1","","Amol P. Jadhav; V. U. Bhaskara Rao; Pradeep Singh; R. G. Gonnade; Ravi P. Singh","Asymmetric vinylogous Michael reaction of cyclic enones with silyloxy furans","Chem.Commun.","2015","51","","13941","","10.1039/C5cc05617A","","","0.71073","MoKα","","0.0451","0.0404","","","0.089","0.091","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117718","6.6349","0.0002","8.9609","0.0003","21.6859","0.0006","90","","90","","90","","1289.33","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 S2 -","- C13 H18 O2 S2 -","- C52 H72 O8 S8 -","4","1","","Amol P. Jadhav; V. U. Bhaskara Rao; Pradeep Singh; R. G. Gonnade; Ravi P. Singh","Asymmetric vinylogous Michael reaction of cyclic enones with silyloxy furans","Chem.Commun.","2015","51","","13941","","10.1039/C5cc05617A","","","0.71073","MoKα","","0.0257","0.0252","","","0.0624","0.0626","","","","","","1.137","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117722","6.2454","0.001","7.9709","0.0013","30.185","0.005","90","","90","","90","","1502.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C68 H60 N4 O8 S4 -","4","1","","Yin-Wei Sun; Xiang-Ying Tang; Min Shi","A gold-catalyzed 1,2-acyloxy migration/intramolecular cyclopropanation/ring enlargement cascade: syntheses of medium-sized heterocycles","Chem.Commun.","2015","51","","13937","","10.1039/C5cc05808B","","","0.71073","MoKα","","0.1051","0.0513","","","0.1068","0.1271","","","","","","0.949","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117761","4.11501","0.00015","10.0552","0.0003","45.8911","0.0016","90","","90","","90","","1898.85","0.11","223.01","0.1","223.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","1","","Zhong-Jian Cai; Chao Yang; Shun-Yi Wang; Shun-Jun Ji","Palladium-catalyzed highly regioselective 6-exo-dig cyclization and alkenylation of ortho-ethynylanilides: the synthesis of polyene-substituted benzo[d][1,3]oxazines","Chem.Commun.","2015","51","","14267","","10.1039/C5cc06510K","","x-ray","1.54184","CuKα","","0.0473","0.0405","","","0.1147","0.1237","","","","","","0.907","","","","has coordinates","153941","2020-10-21","18:00:00",""
"7117768","9.311","0.002","10.003","0.002","23.556","0.006","90","","90","","90","","2194","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O2 S -","- C26 H23 N O2 S -","- C104 H92 N4 O8 S4 -","4","1","","Pi, Rui; Zhou, Ming-Bo; Yang, Yuan; Gao, Cai; Song, Ren-Jie; Li, Jin-Heng","Rhodium(iii)-catalyzed oxidative bicyclization of 4-arylbut-3-yn-1-amines with internal alkynes through C-H functionalization.","Chemical communications (Cambridge, England)","2015","51","70","13550","13553","10.1039/c5cc05093f","","","0.71073","MoKα","","0.0953","0.0723","","","0.1876","0.2045","","","","","","1.057","","","","has coordinates","154899","2020-10-21","18:00:00",""
"7117799","5.8467","0.0002","17.0069","0.0005","17.374","0.0009","90","","90","","90","","1727.57","0.12","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Jorge M. M. Verkade; Peter J. L. M. Quaedflieg; Gerard K. M. Verzijl; Laurent Lefort; Floris L. van Delft; Johannes G. de Vries; Floris P. J. T. Rutjes","Enantio- and diastereoselective synthesis of upsilon-amino alcohol","Chem.Commun.","2015","51","","14462","","10.1039/C5cc04445F","","","0.71073","MoKα","","0.0445","0.0358","","0.0841","0.0793","0.0841","","","1.079","","","1.079","","","","has coordinates","158215","2020-10-21","18:00:00",""
"7117847","10.1404","0.0009","25.087","0.002","27.663","0.003","90","","90","","90","","7037.3","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C74 H80 F2 N4 O12 S4 -","- C74 H80 F2 N4 O12 S4 -","- C296 H320 F8 N16 O48 S16 -","4","1","","Xianfu Shen; Yongyun Zhou; Yongkai Xi; Jingfeng Zhao; Hongbin Zhang","Copper catalyzed sequential arylation-oxidative dimerization of o-haloanilides: synthesis of dimeric HPI alkaloids","Chem.Commun.","2015","51","","14873","","10.1039/C5cc05378A","","","0.71073","MoKα","","0.0596","0.0434","","","0.0969","0.1063","","","","","","1.03","","","","has coordinates","158307","2020-10-21","18:00:00",""
"7117879","6.7978","0.0007","7.3605","0.0007","29.386","0.003","90","","90","","90","","1470.3","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,3-diphenyl-2,5-dihydrofuran-2-carboxylic acid","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Shi, Taoda; Guo, Xin; Teng, Shenghan; Hu, Wenhao","Pd(ii)-catalyzed formal [4+1] cycloaddition reactions of diazoacetates and aryl propargyl alcohols to form 2,5-dihydrofurans.","Chemical communications (Cambridge, England)","2015","51","82","15204","15207","10.1039/c5cc05000f","","","0.71073","MoKα","","0.0742","0.0541","","","0.1486","0.1607","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117893","7.9578","0.0019","10.706","0.003","27.133","0.007","90","","90","","90","","2311.6","1","293","2","293","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N O2 S -","- C27 H25 N O2 S -","- C108 H100 N4 O8 S4 -","4","1","","Dwivedi, Vikas; Hari Babu, Madala; Kant, Ruchir; Sridhar Reddy, Maddi","N-Substitution dependent stereoselectivity switch in palladium catalyzed hydroalkynylation of ynamides: a regio and stereoselective synthesis of ynenamides.","Chemical communications (Cambridge, England)","2015","51","81","14996","14999","10.1039/c5cc06251a","","","0.71075","MoKα","","0.0612","0.0438","","","0.0874","0.092","","","","","","0.874","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7117912","10.9592","0.0012","11.0891","0.0012","22.818","0.003","90","","90","","90","","2773","0.6","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 Cl Ir N2 -","- C33 H34 Cl Ir N2 -","- C132 H136 Cl4 Ir4 N8 -","4","1","","Kazuhiro Yoshida; Takumi Kamimura; Hiroshi Kuwabara; Akira Yanagisawa","Chiral bicyclic NHC/Ir complexes for catalytic asymmetric transfer hydrogenation of ketones","Chem.Commun.","2015","51","","15442","","10.1039/C5cc05318H","","","0.71073","MoKα","","0.0599","0.04","","","0.0749","0.0938","","","","","","0.986","","","","has coordinates","165890","2020-10-21","18:00:00",""
"7117913","8.0761","0.0004","15.8222","0.0008","28.1212","0.0015","90","","90","","90","","3593.4","0.3","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 Cl3 Ir N2 -","- C40 H48 Cl3 Ir N2 -","- C160 H192 Cl12 Ir4 N8 -","4","1","","Kazuhiro Yoshida; Takumi Kamimura; Hiroshi Kuwabara; Akira Yanagisawa","Chiral bicyclic NHC/Ir complexes for catalytic asymmetric transfer hydrogenation of ketones","Chem.Commun.","2015","51","","15442","","10.1039/C5cc05318H","","","0.71073","MoKα","","0.026","0.0227","","","0.0513","0.0727","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117929","5.5598","0.0009","16.478","0.003","19.769","0.003","90","","90","","90","","1811.1","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br N2 O2 -","- C19 H19 Br N2 O2 -","- C76 H76 Br4 N8 O8 -","4","1","","Liang Wei; Chun-Jiang Wang","The catalytic asymmetric synthesis of tetrahydropyridazines via inverse electron-demand aza-Diels-Alder reaction of enol ethers with azoalkenes","Chem.Commun.","2015","51","","15374","","10.1039/C5cc06465A","","","0.71073","MoKα","","0.0831","0.043","","","0.0961","0.1111","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117939","6.376","","8.552","","11.406","","90","","90","","90","","621.941","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cs (Tc N (O2)2 Cl)","","- Cl Cs N O4 Tc -","- Cl Cs N O4 Tc -","- Cl4 Cs4 N4 O16 Tc4 -","4","1","","Baldas, J.; Colmanet, S.F.; MacKay, M.F.","Preparation and structure of Cs (Tc N (O2)2 Cl); the first example of a nitridoperoxo complex","Journal of the Chemical Society. Chemical Communications (1972-)","1989","1989","","1890","1891","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7117942","13.5413","0.0008","14.3275","0.0009","22.1621","0.0014","90","","90","","90","","4299.7","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H50 F12 N6 P2 -","- C38 H50 F12 N6 P2 -","- C152 H200 F48 N24 P8 -","4","1","","Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss","Viologen cyclophanes: redox controlled host-guest interactions","Chem.Commun.","2015","51","","15772","","10.1039/C5cc06041A","","","0.71073","MoKα","","0.1623","0.0931","","","0.2329","0.2662","","","","","","1.006","","","","has coordinates","169187","2020-10-21","18:00:00",""
"7117945","15.7788","0.0005","17.1208","0.0007","28.0061","0.0009","90","","90","","90","","7565.7","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 F12 N5 O0.5 P2 -","- C34 H44 F12 N5 O0.5 P2 -","- C272 H352 F96 N40 O4 P16 -","8","2","","Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss","Viologen cyclophanes: redox controlled host-guest interactions","Chem.Commun.","2015","51","","15772","","10.1039/C5cc06041A","","","0.71073","MoKα","","0.1382","0.0884","","","0.2103","0.2402","","","","","","1.028","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7117946","14.767","0.005","15.632","0.005","18.005","0.005","90","","90","","90","","4156","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H47 F12 N5 P2 -","- C39 H47 F12 N5 P2 -","- C156 H188 F48 N20 P8 -","4","1","","Mathilde Berville; Lydia Karmazin; Jennifer A. Wytko; Jean Weiss","Viologen cyclophanes: redox controlled host-guest interactions","Chem.Commun.","2015","51","","15772","","10.1039/C5cc06041A","","","0.71073","MoKα","","0.1045","0.0604","","","0.1429","0.1658","","","","","","1.018","","","","has coordinates,has disorder","169187","2020-10-21","18:00:00",""
"7117947","10.8543","0.0002","13.163","0.0002","17.7406","0.0003","90","","90","","90","","2534.69","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Br N3 O3 -","- C30 H24 Br N3 O3 -","- C120 H96 Br4 N12 O12 -","4","1","","Guodong Zhu; Baomin Wang; Xiaoze Bao; Huanrui Zhang; Qian Wei; Jingping Qu","Catalytic asymmetric construction of spiro[pyrrolidine-2,3'-oxindole] scaffolds through chiral phosphoric acid-catalyzed 1,3-dipolar cycloaddition involving 3-amino oxindoles","Chem.Commun.","2015","51","","15510","","10.1039/C5cc05798A","","","0.71073","MoKα","","0.0423","0.0312","","","0.0736","0.0766","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7117948","7.29731","0.00006","7.94804","0.00007","13.8224","0.00012","90","","90","","90","","801.69","0.012","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Hydrazinium zinc formate","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Gregor Kieslich; Shohei Kumagai; Keith T. Butler; Takuro Okamura; Christopher H. Hendon; Shijing Sun; Masahiro Yamashita; Aron Walsh; Anthony K. Cheetham","Role of entropic effects in controlling the polymorphism in formate ABX3 metal-organic frameworks","Chem.Commun.","2015","51","","15538","","10.1039/C5cc06190C","","x-ray","0.71073","MoKα","","0.0151","0.0144","","","0.0373","0.0375","","","","","","1.052","","","","has coordinates","169189","2020-10-21","18:00:00",""
"7117951","7.0964","0.0005","16.23","0.002","19.1256","0.0015","90","","90","","90","","2202.8","0.4","298","2","298","2","","","","","","","synthetic","5","P 21 21 21","P 2ac 2ab","19","Sulfonamide benzoic acid; caprolactam","Sulfonamide benzoic acid; caprolactam","","- C19 H29 N3 O6 S -","- C19 H29 N3 O6 S -","- C76 H116 N12 O24 S4 -","4","1","","Geetha Bolla; Ashwini Nangia","Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams","Chem.Commun.","2015","51","","15578","","10.1039/C5cc06475A","","","1.54184","CuKα","","0.2338","0.0872","","","0.1553","0.2387","","","","","","0.932","","","","has coordinates","169191","2020-10-21","18:00:00",""
"7117997","3.9791","0.0012","19.948","0.006","20.208","0.005","90","","90","","90","","1604","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H15 B -","- C26 H15 B -","- C104 H60 B4 -","4","1","","Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A boron-doped helicene as a highly soluble, benchtop-stable green emitter","Chemical Communications (Cambridge, United Kingdom)","2015","51","87","15808","15810","10.1039/c5cc07208e","","","0.71073","MoKα","","0.1732","0.0677","","","0.1014","0.136","","","","","","0.844","","","","has coordinates","210724","2020-10-21","18:00:00",""
"7118025","8.7074","0.0004","12.6241","0.0006","18.0261","0.0008","90","","90","","90","","1981.48","0.16","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N O2 S2 -","- C21 H16 Cl N O2 S2 -","- C84 H64 Cl4 N4 O8 S8 -","4","1","","Kui Liao; Feng Zhou; Jin-Sheng Yu; Wei-Ming Gao; Jian Zhou","Catalytic asymmetric sulfenylation to structurally diverse dithioketals","Chem.Commun.","2015","51","","16255","","10.1039/C5cc07010D","","","0.71073","MoKα","","0.0631","0.0423","","","0.0848","0.0939","","","","","","0.943","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118031","6.1328","0.0002","16.7206","0.0004","22.9284","0.0006","90","","90","","90","","2351.17","0.11","100","2","99.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Fmoc-tpd-Ala-NH2","10","","- C24 H28 N4 O6 -","- C24 H28 N4 O6 -","- C96 H112 N16 O24 -","4","1","","Chang Won Kang; Matthew P. Sarnowski; Sujeewa Ranatunga; Lukasz Wojtas; Rainer S. Metcalf; Wayne C. Guida; Juan R. Del Valle","Beta-Strand mimics based on tetrahydropyridazinedione (tpd) peptide stitching","Chem.Commun.","2015","51","","16259","","10.1039/C5cc07189E","","","1.54178","CuKα","","0.0449","0.0395","","","0.0932","0.0963","","","","","","1.051","","","","has coordinates,has disorder","169967","2020-10-21","18:00:00",""
"7118032","11.0349","0.0003","14.8582","0.0003","17.2323","0.0004","90","","90","","90","","2825.39","0.12","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","11","","- C32 H34 N4 O5 -","- C32 H34 N4 O5 -","- C128 H136 N16 O20 -","4","1","","Chang Won Kang; Matthew P. Sarnowski; Sujeewa Ranatunga; Lukasz Wojtas; Rainer S. Metcalf; Wayne C. Guida; Juan R. Del Valle","Beta-Strand mimics based on tetrahydropyridazinedione (tpd) peptide stitching","Chem.Commun.","2015","51","","16259","","10.1039/C5cc07189E","","","1.54178","CuKα","","0.0312","0.0294","","","0.0697","0.0707","","","","","","1.085","","","","has coordinates","169967","2020-10-21","18:00:00",""
"7118080","10.0819","0.0005","15.295","0.0006","20.4679","0.001","90","","90","","90","","3156.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","compound 8'","","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C32 H36 Au2 Cl2 Fe2 N2 O2 -","- C128 H144 Au8 Cl8 Fe8 N8 O8 -","4","1","","Marta Ayerbe Garcia; Wolfgang Frey; Mark R. Ringenberg; Max Schwilk; Rene Peters","Dinuclear planar chiral ferrocenyl gold(I) & gold(II) complexes","Chem.Commun.","2015","51","","16806","","10.1039/C5cc07018J","","","0.71073","MoKα","","0.0623","0.0478","","","0.0955","0.0992","","","","","","1.051","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7118093","7.7915","0.0004","14.3961","0.0008","23.6463","0.0019","90","","90","","90","","2652.3","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H42 Cl2 N2 Zn -","- C20 H42 Cl2 N2 Zn -","- C80 H168 Cl8 N8 Zn4 -","4","1","","Jezabel Praz; Julien Graff; Leo Egger; Laure Guenee; Simon Wagschal; E. Peter Kundig; Alexandre Alexakis","Asymmetric bromine-lithium exchange: on the importance of both the diamine ligand and the organolithium reagent","Chem.Commun.","2015","51","","16912","","10.1039/C5cc06548H","","","0.71073","MoKα","","0.0507","0.047","","","0.1356","0.1382","","","","","","1.087","","","","has coordinates,has disorder","170688","2020-10-21","18:00:00",""
"7118114","7.7711","0.0003","11.0137","0.0003","12.6885","0.0003","90","","90","","90","","1085.99","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O6 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Gaoyuan Zhao; Min He; Huilin Li; Shuangshuang Duan; Ziyun Yuan; Xingang Xie; Xuegong She","Domino intramolecular Diels-Alder reactions to construct a 6/6/5/5 fused tetracyclic framework","Chem.Commun.","2015","51","","17321","","10.1039/C5cc06923H","","","1.5418","CuKα","","0.0433","0.0422","","","0.1101","0.1112","","","","","","1.065","","","","has coordinates","170726","2020-10-21","18:00:00",""
"7118142","10.596","0.0009","11.039","0.0009","11.6053","0.0009","90","","90","","90","","1357.46","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 B O2 P -","- C12 H20 B O2 P -","- C48 H80 B4 O8 P4 -","4","1","","Orgué, Sílvia; Flores-Gaspar, Areli; Biosca, Maria; Pàmies, Oscar; Diéguez, Montserrat; Riera, Antoni; Verdaguer, Xavier","Stereospecific SN2@P reactions: novel access to bulky P-stereogenic ligands.","Chemical communications (Cambridge, England)","2015","51","99","17548","17551","10.1039/c5cc07504a","","","0.71073","MoKα","","0.0316","0.0271","","","0.0795","0.0955","","","","","","1.264","","","","has coordinates","170856","2020-10-21","18:00:00",""
"7118157","12.981","0.0003","13.4443","0.0003","17.5825","0.0004","90","","90","","90","","3068.51","0.12","173","","173","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 Ag F3 N2 O3 S -","- C28 H38 Ag F3 N2 O3 S -","- C112 H152 Ag4 F12 N8 O12 S4 -","4","1","","Valerie H. L. Wong; Andrew J. P. White; T. S. Andy Hor; King Kuok (Mimi) Hii","Structure and bonding of [(SIPr)AgX] (X = Cl, Br, I and OTf","Chem.Commun.","2015","51","","17752","","10.1039/C5cc07977B","","","0.71073","MoKα","","0.0306","0.0269","","","0.0552","0.0571","","","","","","1.031","","","","has coordinates","171421","2020-10-21","18:00:00",""
"7118168","13.4055","0.0007","15.0828","0.0008","29.1775","0.0016","90","","90","","90","","5899.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C71 H58 Cl4 N2 S2 -","- C71 H58 Cl4 N2 S2 -","- C284 H232 Cl16 N8 S8 -","4","1","","Ping Chen; Sheng-mei Lu; Wengang Guo; Yan Liu; Can Li","A highly enantioselective thiolation of sulfonyl indoles to access 3-sec-sulfur-substituted indoles in water","Chem.Commun.","2016","52","","96","","10.1039/C5cc07721D","","","0.71073","MoKα","","0.0719","0.0564","","","0.1365","0.1465","","","","","","1.031","","","","has coordinates,has disorder","171606","2020-10-21","18:00:00",""
"7118170","9.258","0.002","9.554","0.002","22.789","0.005","90","","90","","90","","2015.7","0.8","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Cl N O3 -","- C23 H22 Cl N O3 -","- C92 H88 Cl4 N4 O12 -","4","1","","Qiang Sha; Hadi Arman; Michael P. Doyle","Asymmetric synthesis of 1H-pyrrol-3(2H)-ones from 2,3-diketoesters by combination of aldol condensation with benzilic acid rearrangement","Chem.Commun.","2016","52","","108","","10.1039/C5cc07780J","","","0.71075","MoKα","","0.0444","0.0421","","","0.1117","0.1149","","","","","","1.062","","","","has coordinates","171607","2020-10-21","18:00:00",""
"7118172","5.79","0.003","10.095","0.005","29.897","0.014","90","","90","","90","","1747.5","1.5","100","2","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N3 Ni O2 -","- C18 H26 N3 Ni O2 -","- C72 H104 N12 Ni4 O8 -","4","1","","Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade","Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism","Chem.Commun.","2016","52","","202","","10.1039/c5cc08950F","","x-ray","0.71073","MoKα","","0.039","0.0313","","","0.0657","0.0682","","","","","","1.035","","","","has coordinates","171609","2020-10-21","18:00:00",""
"7118173","10.148","0.005","11.913","0.005","17.409","0.008","90","","90","","90","","2104.6","1.7","100","2","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 F2 N3 Ni O2 -","- C24 H23 F2 N3 Ni O2 -","- C96 H92 F8 N12 Ni4 O8 -","4","1","","Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade","Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism","Chem.Commun.","2016","52","","202","","10.1039/c5cc08950F","","x-ray","0.71073","MoKα","","0.0366","0.0305","","","0.0681","0.071","","","","","","1.054","","","","has coordinates","171609","2020-10-21","18:00:00",""
"7118174","10.777","0.008","10.97","0.008","36.58","0.03","90","","90","","90","","4325","6","100","2","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21.5 H31 F N3 Ni O2.5 -","- C21.5 H31 F N3 Ni O2.5 -","- C172 H248 F8 N24 Ni8 O20 -","8","2","","Jan Wenz; Christoph A. Rettenmeier; Hubert Wadepohl; Lutz H. Gade","Catalytic C-F bond activation of geminal difluorocyclopropanes by nickel(I) complexes via a radical mechanism","Chem.Commun.","2016","52","","202","","10.1039/c5cc08950F","","x-ray","0.71073","MoKα","","0.0356","0.0297","","","0.064","0.0666","","","","","","1.053","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7118185","9.002","0.002","13.225","0.003","17.293","0.004","90","","90","","90","","2058.8","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 N O -","- C29 H21 N O -","- C116 H84 N4 O4 -","4","1","","Barsu, Nagaraju; Sen, Malay; Premkumar, J. Richard; Sundararaju, Basker","Cobalt(iii) catalyzed C-8 selective C-H and C-O coupling of quinoline N-oxide with internal alkynes via C-H activation and oxygen atom transfer.","Chemical communications (Cambridge, England)","2016","52","7","1338","1341","10.1039/c5cc08736h","","","0.71073","MoKα","","0.0624","0.0451","","","0.0966","0.1162","","","","","","1.07","","","","has coordinates","175860","2020-10-21","18:00:00",""
"7118218","5.6288","0.0011","12.578","0.003","41.669","0.008","90","","90","","90","","2950.1","1.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Br2 O4 -","- C36 H26 Br2 O4 -","- C144 H104 Br8 O16 -","4","1","","Wang, Zhan-Yong; Ding, Ya-Li; Wang, Gang; Cheng, Ying","Chiral N-heterocyclic carbene/Lewis acid cooperative catalysis of the reaction of 2-aroylvinylcinnamaldehydes: a switch of the reaction pathway by Lewis acid activation.","Chemical communications (Cambridge, England)","2015","52","4","788","791","10.1039/c5cc08866f","","","0.71073","MoKα","","0.0777","0.0698","","","0.1496","0.1646","","","","","","1.001","","","","has coordinates","171857","2020-10-21","18:00:00",""
"7118219","9.263","0.0012","12.8186","0.0016","22.369","0.003","90","","90","","90","","2656.1","0.6","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 O4 -","- C36 H28 O4 -","- C144 H112 O16 -","4","1","","Wang, Zhan-Yong; Ding, Ya-Li; Wang, Gang; Cheng, Ying","Chiral N-heterocyclic carbene/Lewis acid cooperative catalysis of the reaction of 2-aroylvinylcinnamaldehydes: a switch of the reaction pathway by Lewis acid activation.","Chemical communications (Cambridge, England)","2015","52","4","788","791","10.1039/c5cc08866f","","","1.54187","CuKα","","0.0275","0.0269","","","0.0703","0.0707","","","","","","1.045","","","","has coordinates","171857","2020-10-21","18:00:00",""
"7118220","5.5911","0.0018","13.004","0.004","40.623","0.013","90","","90","","90","","2953.6","1.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Br2 O4 -","- C36 H26 Br2 O4 -","- C144 H104 Br8 O16 -","4","1","","Wang, Zhan-Yong; Ding, Ya-Li; Wang, Gang; Cheng, Ying","Chiral N-heterocyclic carbene/Lewis acid cooperative catalysis of the reaction of 2-aroylvinylcinnamaldehydes: a switch of the reaction pathway by Lewis acid activation.","Chemical communications (Cambridge, England)","2015","52","4","788","791","10.1039/c5cc08866f","","","0.71075","MoKα","","0.0574","0.0388","","","0.0641","0.0701","","","","","","0.931","","","","has coordinates","171857","2020-10-21","18:00:00",""
"7118228","10.692","0.002","11.464","0.002","24.031","0.005","90","","90","","90","","2945.6","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Co N7 O5 S2 -","- C25 H21 Co N7 O5 S2 -","- C100 H84 Co4 N28 O20 S8 -","4","1","","Dey, Mamon; Dutta, Snigdha; Sarma, Bipul; Deka, Ramesh Ch.; Gogoi, Nayanmoni","Modulation of the coordination environment: a convenient approach to tailor magnetic anisotropy in seven coordinate Co(II) complexes","Chemical Communications (Cambridge, United Kingdom)","2016","52","4","753","756","10.1039/c5cc07397a","","","0.71073","MoKα","","0.0443","0.037","","","0.0938","0.107","","","","","","1.1","","","","has coordinates","209787","2020-10-21","18:00:00",""
"7118231","12.315","0.0002","13.9146","0.0003","15.2049","0.0003","90","","90","","90","","2605.49","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 Br Cl2 N2 O5 -","- C27 H21 Br Cl2 N2 O5 -","- C108 H84 Br4 Cl8 N8 O20 -","4","1","","Cao, Zhong-Yan; Zhao, Yu-Lei; Zhou, Jian","Sequential Au(i)/chiral tertiary amine catalysis: a tandem C-H functionalization of anisoles or a thiophene/asymmetric Michael addition sequence to quaternary oxindoles.","Chemical communications (Cambridge, England)","2016","52","12","2537","2540","10.1039/c5cc10096h","","","0.71073","MoKα","","0.0282","0.025","","","0.0594","0.0609","","","","","","1.036","","","","has coordinates","175877","2020-10-21","18:00:00",""
"7118264","9.0636","0.0013","9.6375","0.0013","20.925","0.003","90","","90","","90","","1827.8","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl Cu N4 O2 -","- C18 H18 Cl Cu N4 O2 -","- C72 H72 Cl4 Cu4 N16 O8 -","4","1","","Nitsch, Jörn; Lacemon, Frederick; Lorbach, Andreas; Eichhorn, Antonius; Cisnetti, Federico; Steffen, Andreas","Cuprophilic interactions in highly luminescent dicopper(i)-NHC-picolyl complexes - fast phosphorescence or TADF?","Chemical communications (Cambridge, England)","2016","52","14","2932","2935","10.1039/c5cc09659f","","","0.71073","MoKα","","0.0246","0.0228","","","0.0597","0.0605","","","","","","1.061","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7118269","8.8669","0.0005","14.7074","0.0007","17.9059","0.0009","90","","90","","90","","2335.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br N O3 -","- C27 H24 Br N O3 -","- C108 H96 Br4 N4 O12 -","4","1","","Li, Mingfeng; Guo, Xin; Jin, Weifeng; Zheng, Qing; Liu, Shunying; Hu, Wenhao","An enantioselective three-component reaction of diazoacetates with indoles and enals by iridium/iminium co-catalysis.","Chemical communications (Cambridge, England)","2016","52","13","2736","2739","10.1039/c5cc09918h","","","0.71073","MoKα","","0.0728","0.0397","","","0.0832","0.0949","","","","","","1.012","","","","has coordinates","177637","2020-10-21","18:00:00",""
"7118324","5.7923","0.0012","8.4216","0.0017","29.71","0.006","90","","90","","90","","1449.3","0.5","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 I N2 O3 -","- C15 H13 I N2 O3 -","- C60 H52 I4 N8 O12 -","4","1","","Puttreddy, Rakesh; Jurček, Ondřej; Bhowmik, Sandip; Mäkelä, Toni; Rissanen, Kari","Very strong (-)N-X(+)(-)O-N(+) halogen bonds.","Chemical communications (Cambridge, England)","2016","52","11","2338","2341","10.1039/c5cc09487a","","","0.71073","MoKα","","0.0396","0.0383","","","0.1368","0.1375","","","","","","1.163","","","","has coordinates","175886","2020-10-21","18:00:00",""
"7118330","5.79637","0.00017","13.3106","0.0003","25.2934","0.0006","90","","90","","90","","1951.47","0.09","123","0.1","123","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl N O6 -","- C21 H20 Cl N O6 -","- C84 H80 Cl4 N4 O24 -","4","1","","Shu, Tao; Ni, Qijian; Song, Xiaoxiao; Zhao, Kun; Wu, Tianyu; Puttreddy, Rakesh; Rissanen, Kari; Enders, Dieter","Asymmetric synthesis of cyclopentanes bearing four contiguous stereocenters via an NHC-catalyzed Michael/Michael/esterification domino reaction.","Chemical communications (Cambridge, England)","2016","52","12","2609","2611","10.1039/c5cc09581f","","x-ray","1.54184","CuKα","","0.037","0.0295","","","0.0659","0.0697","","","","","","1.061","","","","has coordinates","175871","2020-10-21","18:00:00",""
"7118343","9.891","0.013","16.14","0.02","16.21","0.02","90","","90","","90","","2588","6","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Br N2 O3 S -","- C24 H31 Br N2 O3 S -","- C96 H124 Br4 N8 O12 S4 -","4","1","","Lin, Chao-Yang; Ma, Peng-Ju; Sun, Zhao; Lu, Chong-Dao; Xu, Yan-Jun","Carbamoyl anion-initiated cascade reaction for stereoselective synthesis of substituted α-hydroxy-β-amino amides.","Chemical communications (Cambridge, England)","2016","52","5","912","915","10.1039/c5cc08118a","","","0.71073","MoKα","","0.186","0.0672","","","0.1683","0.226","","","","","","0.906","","","","has coordinates","173533","2020-10-21","18:00:00",""
"7118357","7.6294","0.0005","12.6995","0.0008","25.8239","0.0017","90","","90","","90","","2502.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","rl048-krypto1","","- C14 H7 F5 N2 -","- C14 H7 F5 N2 -","- C112 H56 F40 N16 -","8","2","","Laubenstein, R.; Şerb, M-D; Englert, U.; Raabe, G.; Braun, T.; Braun, B.","Is it all in the hinge? A kryptoracemate and three of its alternative racemic polymorphs of an aminonitrile.","Chemical communications (Cambridge, England)","2016","52","6","1214","1217","10.1039/c5cc08992a","","","1.54178","CuKα","","0.0272","0.0256","","","0.0669","0.0684","","","","","","1.031","","","","has coordinates","173624","2020-10-21","18:00:00",""
"7118429","6.826","0.0015","9.791","0.002","30.82","0.007","90","","90","","90","","2059.8","0.8","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 N O6 Si -","- C18 H32 N O6 Si -","- C72 H128 N4 O24 Si4 -","4","1","","Jian-Liang Ye; Yang Liu; Zhi-Ping Yang; Pei-Qiang Huang","The asymmetric total synthesis of (+)-N-acetyl norloline","Chem.Commun.","2016","52","","561","","","","","0.71073","MoKα","","0.0522","0.0464","","","0.1214","0.1251","","","","","","1.0367","","","","has coordinates","209363","2020-10-21","18:00:00",""
"7118436","12.91","0.0005","15.492","0.0004","19.254","0.0006","90","","90","","90","","3850.8","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Ni P2 Si -","- C43 H52 Ni P2 Si -","- C172 H208 Ni4 P8 Si4 -","4","1","","LaPierre, Etienne A.; Piers, Warren E.; Spasyuk, Denis M.; Bi, David W.","Activation of Si-H bonds across the nickel carbene bond in electron rich nickel PCcarbeneP pincer complexes.","Chemical communications (Cambridge, England)","2016","52","7","1361","1364","10.1039/c5cc09349j","","","0.71073","MoKα","","0.0839","0.0601","","","0.1151","0.1314","","","","","","1.045","","","","has coordinates","174464","2020-10-21","18:00:00",""
"7118445","7.0524","0.0003","17.7693","0.0008","22.6194","0.0007","90","","90","","90","","2834.6","0.2","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O S -","- C15 H21 N O S -","- C120 H168 N8 O8 S8 -","8","2","","Rayner, Peter J.; Smith, Joshua C.; Denneval, Charline; O'Brien, Peter; Clarke, Paul A.; Horan, Richard A. J.","Mechanistic interrogation of the asymmetric lithiation-trapping of N-thiopivaloyl azetidine and pyrrolidine.","Chemical communications (Cambridge, England)","2016","52","7","1354","1357","10.1039/c5cc08690f","","","0.71073","MoKα","","0.082","0.0691","","","0.165","0.1787","","","","","","1.058","","","","has coordinates","174467","2020-10-21","18:00:00",""
"7118446","6.51691","0.00018","11.9691","0.0003","29.6051","0.0008","90","","90","","90","","2309.24","0.11","110","0.14","110","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O2 S -","- C10 H17 N O2 S -","- C80 H136 N8 O16 S8 -","8","2","","Rayner, Peter J.; Smith, Joshua C.; Denneval, Charline; O'Brien, Peter; Clarke, Paul A.; Horan, Richard A. J.","Mechanistic interrogation of the asymmetric lithiation-trapping of N-thiopivaloyl azetidine and pyrrolidine.","Chemical communications (Cambridge, England)","2016","52","7","1354","1357","10.1039/c5cc08690f","","x-ray","0.71073","MoKα","","0.0397","0.0352","","","0.0785","0.0807","","","","","","1.054","","","","has coordinates","174467","2020-10-21","18:00:00",""
"7118448","10.2939","0.0005","10.7278","0.0003","14.0751","0.0007","90","","90","","90","","1554.33","0.12","103.3","","103.3","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(R)-3-(4-chlorophenyl)-4,4,4-trifluoro-3-(nitromethyl)-1-(thiazol-2-yl)butan-1-one","","- C14 H10 Cl F3 N2 O3 S -","- C14 H10 Cl F3 N2 O3 S -","- C56 H40 Cl4 F12 N8 O12 S4 -","4","1","","Hou, Xuhe; Ma, Hongli; Zhang, Zhenhua; Xie, Lei; Qin, Zhaohai; Fu, Bin","An efficient approach for the construction of trifluoromethylated all-carbon quaternary stereocenters: enantioselective Ni(ii)-catalyzed Michael addition of 2-acetyl azaarene to β,β-disubstituted nitroalkenes.","Chemical communications (Cambridge, England)","2016","52","7","1470","1473","10.1039/c5cc08480f","","","1.5418","CuKα","","0.0281","0.0276","","","0.0705","0.0708","","","","","","1.081","","","","has coordinates","174468","2020-10-21","18:00:00",""
"7118480","5.6288","0.0011","12.578","0.003","41.669","0.008","90","","90","","90","","2950.1","1.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Br2 O4 -","- C36 H26 Br2 O4 -","- C144 H104 Br8 O16 -","4","1","","Zhan-Yong Wang; Ya-Li Ding; Gang Wang; Ying Cheng","Chiral N-heterocyclic carbene/Lewis acid cooperative catalysis of the reaction of 2-aroylvinylcinnamaldehydes: a switch of the reaction pathway by Lewis acid activation","Chem.Commun.","2016","52","","788","","","","","0.71073","MoKα","","0.0777","0.0698","","","0.1496","0.1646","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118481","9.263","0.0012","12.8186","0.0016","22.369","0.003","90","","90","","90","","2656.1","0.6","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H28 O4 -","- C36 H28 O4 -","- C144 H112 O16 -","4","1","","Zhan-Yong Wang; Ya-Li Ding; Gang Wang; Ying Cheng","Chiral N-heterocyclic carbene/Lewis acid cooperative catalysis of the reaction of 2-aroylvinylcinnamaldehydes: a switch of the reaction pathway by Lewis acid activation","Chem.Commun.","2016","52","","788","","","","","1.54187","CuKα","","0.0275","0.0269","","","0.0703","0.0707","","","","","","1.045","","","","has coordinates","174541","2020-10-21","18:00:00",""
"7118482","5.5911","0.0018","13.004","0.004","40.623","0.013","90","","90","","90","","2953.6","1.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Br2 O4 -","- C36 H26 Br2 O4 -","- C144 H104 Br8 O16 -","4","1","","Zhan-Yong Wang; Ya-Li Ding; Gang Wang; Ying Cheng","Chiral N-heterocyclic carbene/Lewis acid cooperative catalysis of the reaction of 2-aroylvinylcinnamaldehydes: a switch of the reaction pathway by Lewis acid activation","Chem.Commun.","2016","52","","788","","","","","0.71075","MoKα","","0.0574","0.0388","","","0.0641","0.0701","","","","","","0.931","","","","has coordinates","174541","2020-10-21","18:00:00",""
"7118486","6.0936","0.0012","8.4244","0.0017","26.374","0.005","90","","90","","90","","1353.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl N2 O -","- C15 H15 Cl N2 O -","- C60 H60 Cl4 N8 O4 -","4","1","","Feng, Qi; Li, Yuanyuan; Wang, Lili; Li, Chen; Wang, Jinmin; Liu, Yuanyuan; Li, Kai; Hou, Hongwei","Multiple-color aggregation-induced emission (AIE) molecules as chemodosimeters for pH sensing.","Chemical communications (Cambridge, England)","2016","52","15","3123","3126","10.1039/c5cc10423h","","","0.71073","MoKα","","0.1296","0.0888","","","0.1309","0.1505","","","","","","1.11","","","","has coordinates","177654","2020-10-21","18:00:00",""
"7118504","9.2716","0.0005","11.6329","0.0006","17.2262","0.0009","90","","90","","90","","1857.94","0.17","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","wjp2014_10_9","tert-butyl 2-methyl-5-phenyl-4-(thiophen-2-yl)furan-3-carboxylate","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C80 H80 O12 S4 -","4","1","","Wu, Jiaping; Wang, Dongxu; Wan, Yanjun; Ma, Cheng","Rhodium-catalyzed tunable oxidative cyclization toward the selective synthesis of α-pyrones and furans.","Chemical communications (Cambridge, England)","2016","52","8","1661","1664","10.1039/c5cc09137c","","","0.71073","MoKα","","0.064","0.0428","","","0.1051","0.1175","","","","","","1.018","","","","has coordinates,has disorder","174637","2020-10-21","18:00:00",""
"7118533","10.162","0.0006","16.8562","0.0008","19.2329","0.0013","90","","90","","90","","3294.5","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 B Cl2 N3 Si2 -","- C29 H46 B Cl2 N3 Si2 -","- C116 H184 B4 Cl8 N12 Si8 -","4","1","","Hadlington, Terrance J.; Abdalla, Joseph A. B.; Tirfoin, Rémi; Aldridge, Simon; Jones, Cameron","Stabilization of a two-coordinate, acyclic diaminosilylene (ADASi): completion of the series of isolable diaminotetrylenes, :E(NR2)2 (E = group 14 element).","Chemical communications (Cambridge, England)","2016","52","8","1717","1720","10.1039/c5cc09673a","","","0.71073","MoKα","","0.1029","0.0672","","","0.1821","0.2101","","","","","","1.041","","","","has coordinates","174649","2020-10-21","18:00:00",""
"7118558","5.2566","0.00005","12.33003","0.00013","25.5995","0.0003","90","","90","","90","","1659.21","0.03","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Br N O5 -","- C20 H12 Br N O5 -","- C80 H48 Br4 N4 O20 -","4","1","","Kaya, Uğur; Chauhan, Pankaj; Hack, Daniel; Deckers, Kristina; Puttreddy, Rakesh; Rissanen, Kari; Enders, Dieter","Enantioselective synthesis of 4H-pyranonaphthoquinones via sequential squaramide and silver catalysis.","Chemical communications (Cambridge, England)","2016","52","8","1669","1672","10.1039/c5cc09592a","","x-ray","1.54184","CuKα","","0.0224","0.0206","","","0.0523","0.0537","","","","","","1.067","","","","has coordinates","174652","2020-10-21","18:00:00",""
"7118598","12.014","0.002","15.518","0.003","15.75","0.002","90","","90","","90","","2936.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 Br2 Fe N P2 -","- C26 H41 Br2 Fe N P2 -","- C104 H164 Br8 Fe4 N4 P8 -","4","1","","Chakraborty, Subrata; Leitus, Gregory; Milstein, David","Selective hydrogenation of nitriles to primary amines catalyzed by a novel iron complex.","Chemical communications (Cambridge, England)","2016","52","9","1812","1815","10.1039/c5cc08204h","","","0.71073","MoKα","","0.0435","0.0333","","","0.0767","0.0814","","","","","","1.036","","","","has coordinates","174811","2020-10-21","18:00:00",""
"7118601","9.5281","0.001","11.4269","0.0012","17.881","0.002","90","","90","","90","","1946.8","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 Fe P -","- C24 H21 Fe P -","- C96 H84 Fe4 P4 -","4","1","","Itazaki, Masumi; Katsube, Shinya; Kamitani, Masahiro; Nakazawa, Hiroshi","Synthesis of vinylphosphines and unsymmetric diphosphines: iron-catalyzed selective hydrophosphination reaction of alkynes and vinylphosphines with secondary phosphines.","Chemical communications (Cambridge, England)","2016","52","15","3163","3166","10.1039/c5cc10185a","","","0.7107","MoKα","","0.0768","0.0602","","","0.15","0.164","","","","","","1.057","","","","has coordinates","177652","2020-10-21","18:00:00",""
"7118625","7.2543","0.0011","10.8861","0.0017","12.636","0.002","90","","90","","90","","997.9","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-phenylimidazo[1,5-a]pyridine","","- C13 H10 N2 -","- C13 H10 N2 -","- C52 H40 N8 -","4","1","","Li, Yajun; Chao, Allen; Fleming, Fraser F.","Isonitrile alkylations: a rapid route to imidazo[1,5-a]pyridines.","Chemical communications (Cambridge, England)","2016","52","10","2111","2113","10.1039/c5cc08724d","","","0.71073","MoKα","","0.0656","0.0577","","","0.1365","0.1449","","","","","","1.139","","","","has coordinates","175123","2020-10-21","18:00:00",""
"7118632","7.7128","0.0001","8.5049","0.0001","26.8442","0.0004","90","","90","","90","","1760.89","0.04","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-3-(4-fluorophenyl)-3-(o-tolylthio)isoindolin-1-one","","- C21 H15 F N O S -","- C21 H15 F N O S -","- C84 H60 F4 N4 O4 S4 -","4","1","","Suć, Josipa; Dokli, Irena; Gredičak, Matija","Chiral Brønsted acid-catalysed enantioselective synthesis of isoindolinone-derived N(acyl),S-acetals.","Chemical communications (Cambridge, England)","2016","52","10","2071","2074","10.1039/c5cc08813e","","","1.54184","CuKα","","0.0385","0.0382","","","0.1085","0.1088","","","","","","1.1","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7118641","9.501","0.0004","22.3773","0.001","27.2642","0.0011","90","","90","","90","","5796.6","0.4","122","2","122","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C46.92 H84.77 Ag Cl3.08 F3 O3.64 P2 Ru S4 -","- C46.923 H84.769 Ag Cl3.077 F3 O3.641 P2 Ru S4 -","- C187.692 H339.076 Ag4 Cl12.308 F12 O14.564 P8 Ru4 S16 -","4","1","","Reinholdt, Anders; Herbst, Konrad; Bendix, Jesper","Delivering carbide ligands to sulfide-rich clusters.","Chemical communications (Cambridge, England)","2016","52","10","2015","2018","10.1039/c5cc08918b","","","0.71073","MoKα","","0.0678","0.0442","","","0.0823","0.0919","","","","","","1.051","","","","has coordinates,has disorder","175130","2020-10-21","18:00:00",""
"7118653","6.6015","0.0002","16.8605","0.0004","17.1484","0.0004","90","","90","","90","","1908.7","0.09","296","1","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","20150112","","- C18 H21 N O7 S -","- C18 H21 N O7 S -","- C72 H84 N4 O28 S4 -","4","1","","Son, Se-Mi; Seo, Yeon Ji; Lee, Hyeon-Kyu","Stereoselective synthesis of 1,3-disubstituted isoindolines via Rh(iii)-catalyzed tandem oxidative olefination-cyclization of 4-aryl cyclic sulfamidates.","Chemical communications (Cambridge, England)","2016","52","23","4286","4289","10.1039/c5cc09888b","","","0.71073","MoKα","","0.1579","0.067","","","0.1734","0.2193","","","","","","1.015","","","","has coordinates","181572","2020-10-21","18:00:00",""
"7118654","6.2084","0.0001","13.742","0.0002","21.5303","0.0004","90","","90","","90","","1836.88","0.05","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","20150429","","- C17 H19 N O7 S -","- C17 H19 N O7 S -","- C68 H76 N4 O28 S4 -","4","1","","Son, Se-Mi; Seo, Yeon Ji; Lee, Hyeon-Kyu","Stereoselective synthesis of 1,3-disubstituted isoindolines via Rh(iii)-catalyzed tandem oxidative olefination-cyclization of 4-aryl cyclic sulfamidates.","Chemical communications (Cambridge, England)","2016","52","23","4286","4289","10.1039/c5cc09888b","","","0.71073","MoKα","","0.1195","0.0618","","","0.1407","0.1629","","","","","","1.03","","","","has coordinates","181572","2020-10-21","18:00:00",""
"7118657","7.3985","0.0009","19.856","0.002","35.447","0.004","90","","90","","90","","5207.3","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","VD23","","","- C55 H88 O2 -","- C55 H88 O2 -","- C220 H352 O8 -","4","1","","Wang, Jian-Rong; Yu, Qihui; Dai, Wenjuan; Mei, Xuefeng","Drug-drug co-crystallization presents a new opportunity for the development of stable vitamins.","Chemical communications (Cambridge, England)","2016","52","17","3572","3575","10.1039/c5cc10297a","","","0.71073","MoKα","","0.1325","0.0666","","","0.1649","0.2027","","","","","","1.064","","","","has coordinates","177703","2020-10-21","18:00:00",""
"7118668","9.002","0.002","13.225","0.003","17.293","0.004","90","","90","","90","","2058.8","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 N O -","- C29 H21 N O -","- C116 H84 N4 O4 -","4","1","","Nagaraju Barsu; Malay Sen; J. Richard Premkumar; Basker Sundararaju","Cobalt(III) catalyzed C-8 selective C-H and C-O coupling of quinoline N-oxide with internal alkynes via C-H activation and oxygen atom transfer","Chem.Commun.","2016","52","","1338","","","","","0.71073","MoKα","","0.0624","0.0451","","","0.0966","0.1162","","","","","","1.07","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7118677","4.9957","0.0003","17.7935","0.0009","20.4746","0.001","90","","90","","90","","1820.01","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ECI5017","[(2S,3S,5R)-3-amino-5-(5-methyl-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl acetate","","- C13 H18 Cl3 N3 O4 S -","- C13 H18 Cl3 N3 O4 S -","- C52 H72 Cl12 N12 O16 S4 -","4","1","","Izgu, Enver Cagri; Oh, Seung Soo; Szostak, Jack W.","Synthesis of activated 3'-amino-3'-deoxy-2-thio-thymidine, a superior substrate for the nonenzymatic copying of nucleic acid templates.","Chemical communications (Cambridge, England)","2016","52","18","3684","3686","10.1039/c5cc10317g","","","1.54178","CuKα","","0.0873","0.079","","","0.2088","0.2142","","","","","","1.084","","","","has coordinates,has disorder","177647","2020-10-21","18:00:00",""
"7118694","9.0059","0.0011","12.9439","0.0015","18.305","0.002","90","","90","","90","","2133.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Br N2 O5 S -","- C22 H21 F N2 O5 S -","- C88 H84 F4 N8 O20 S4 -","4","1","","Cheng, Ping; Guo, Wengang; Chen, Ping; Liu, Yan; Du, Xin; Li, Can","The enantioselective construction of chiral spirooxindole-based 4-thiazolidinone via asymmetric catalytic formal [3+2] annulation using a bifunctional catalyst.","Chemical communications (Cambridge, England)","2016","52","16","3418","3421","10.1039/c5cc10292h","","","0.71073","MoKα","","0.0491","0.0425","","","0.1033","0.1081","","","","","","1.022","","","","has coordinates","177673","2020-10-21","18:00:00",""
"7118730","9.1833","0.0005","10.6603","0.0006","20.8558","0.0012","90","","90","","90","","2041.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 I2 N2 O3 -","- C17 H22 I2 N2 O3 -","- C68 H88 I8 N8 O12 -","4","1","","Huang, Hai; Tang, Luning; Han, Xiaobo; He, Guangke; Xi, Yang; Zhu, Hongjun","Regioselective iodoamination of terminal ynamides for the synthesis of α-amino-β,β-diiodo-enamides.","Chemical communications (Cambridge, England)","2016","52","23","4321","4324","10.1039/c6cc00370b","","","0.71073","MoKα","","0.0216","0.0202","","","0.0479","0.0487","","","","","","1.059","","","","has coordinates","181573","2020-10-21","18:00:00",""
"7118765","6.7451","0.0003","11.1419","0.0006","26.4844","0.0018","90","","90","","90","","1990.39","0.19","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Rs)-(+)-N-[(S)-1-Cyano-2-(1?,2?-dicarba-closo-dodecaboranyl)ethyl]-tert-butylsulfinamide","22 (EDM371)","","- C9 H26 B10 N2 O2 S -","- C9 H26 B10 N2 O2 S -","- C36 H104 B40 N8 O8 S4 -","4","1","","de Bruin, Gerjan; Mock, Elliot D.; Hoogendoorn, Sascha; van den Nieuwendijk, Adrianus M. C. H.; Mazurek, Jaroslaw; van der Marel, Gijsbert A.; Florea, Bogdan I.; Overkleeft, Herman S.","Enantioselective synthesis of adamantylalanine and carboranylalanine and their incorporation into the proteasome inhibitor bortezomib.","Chemical communications (Cambridge, England)","2016","52","21","4064","4067","10.1039/c6cc01156j","","","0.71073","MoKα","","0.0621","0.0552","","","0.1418","0.1468","","","","","","1.056","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7118767","8.3737","0.0003","12.3461","0.0004","23.8575","0.0007","90","","90","","90","","2466.45","0.14","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl N O P Pd S -","- C28 H23 Cl N O P Pd S -","- C112 H92 Cl4 N4 O4 P4 Pd4 S4 -","4","1","","Yang, Xiang-Yuan; Tay, Wee Shan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","The synthesis and efficient one-pot catalytic ""self-breeding"" of asymmetrical NC(sp(3))E-hybridised pincer complexes.","Chemical communications (Cambridge, England)","2016","52","22","4211","4214","10.1039/c6cc00763e","","","0.71073","MoKα","","0.0555","0.052","","","0.0992","0.1002","","","","","","1.25","","","","has coordinates,has disorder","181526","2020-10-21","18:00:00",""
"7118799","7.3239","0.0001","13.6625","0.0003","21.1998","0.0015","90","","90","","90","","2121.31","0.16","295","","295","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Au F6 N2 O2 P -","- C16 H22 Au F6 N2 O2 P -","- C64 H88 Au4 F24 N8 O8 P4 -","4","1","","Xiao, Xin-Shan; Zou, Chao; Guan, Xiangguo; Yang, Chen; Lu, Wei; Che, Chi-Ming","Homoleptic gold(i) N-heterocyclic allenylidene complexes: excited-state properties and lyotropic chromonics.","Chemical communications (Cambridge, England)","2016","52","28","4983","4986","10.1039/c5cc09571a","","","1.54178","CuKα","","0.057","0.0445","","","0.1016","0.1367","","","","","","1.172","","","","has coordinates","181568","2020-10-21","18:00:00",""
"7118807","9.09127","0.00013","10.54359","0.00015","30.6974","0.0005","90","","90","","90","","2942.49","0.08","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 N2 O9 -","- C30 H34 N2 O9 -","- C120 H136 N8 O36 -","4","1","","Yu, Kuan; Gao, Beiling; Liu, Zhaobo; Ding, Hanfeng","Enantioselective total synthesis and structural reassignment of (+)-alsmaphorazine E via a traceless chirality transfer strategy.","Chemical communications (Cambridge, England)","2016","52","24","4485","4488","10.1039/c6cc00930a","","","1.54184","CuKα","","0.0357","0.0318","","","0.0773","0.0803","","","","","","1.046","","","","has coordinates","181552","2020-10-21","18:00:00",""
"7118821","12.5723","0.0001","13.3184","0.0001","13.6939","0.0001","90","","90","","90","","2292.95","0.03","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Fe N2 O4 P Si -","- C19 H25 Fe N2 O4 P Si -","- C76 H100 Fe4 N8 O16 P4 Si4 -","4","1","","Breit, Nora C.; Eisenhut, Carsten; Inoue, Shigeyoshi","Phosphinosilylenes as a novel ligand system for heterobimetallic complexes.","Chemical communications (Cambridge, England)","2016","52","32","5523","5526","10.1039/c6cc00601a","","x-ray","1.54184","CuKα","","0.0333","0.0301","","","0.0756","0.0774","","","","","","1.041","","","","has coordinates","182615","2020-10-21","18:00:00",""
"7118823","11.936","0.0008","16.0501","0.0011","16.5597","0.0012","90","","90","","90","","3172.4","0.4","228","2","228","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 N5 O7 -","- C26 H44 N5 O7 -","- C104 H176 N20 O28 -","4","1","","Metrano, A. J.; Abascal, N. C.; Mercado, B. Q.; Paulson, E. K.; Miller, S. J.","Structural studies of β-turn-containing peptide catalysts for atroposelective quinazolinone bromination.","Chemical communications (Cambridge, England)","2016","52","26","4816","4819","10.1039/c6cc01428c","","","1.54178","CuKα","","0.0534","0.0504","","","0.1454","0.1513","","","","","","1.023","","","","has coordinates,has disorder","181535","2020-10-21","18:00:00",""
"7118824","11.7899","0.0008","15.9908","0.0011","16.3363","0.0011","90","","90","","90","","3079.9","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 N6 O6 -","- C27 H48 N6 O6 -","- C108 H192 N24 O24 -","4","1","","Metrano, A. J.; Abascal, N. C.; Mercado, B. Q.; Paulson, E. K.; Miller, S. J.","Structural studies of β-turn-containing peptide catalysts for atroposelective quinazolinone bromination.","Chemical communications (Cambridge, England)","2016","52","26","4816","4819","10.1039/c6cc01428c","","","1.54178","CuKα","","0.0307","0.0287","","","0.0784","0.0792","","","","","","1.06","","","","has coordinates","181535","2020-10-21","18:00:00",""
"7118861","14.7059","0.0003","18.0236","0.0004","19.3772","0.0004","90","","90","","90","","5135.99","0.19","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H73 Br N3 Na O10 -","- C50 H73 Br N3 Na O10 -","- C200 H292 Br4 N12 Na4 O40 -","4","1","","Shi, Qiuyan; Li, Yu; Bo, Shaowei; Li, Xiaofei; Zhao, Peng; Liu, Qi; Yang, Zhigang; Cong, Hengjiang; Deng, Hexiang; Chen, Mingnan; Chen, Shizhen; Zhou, Xin; Ding, Hong; Jiang, Zhong-Xing","Discovery of a (19)F MRI sensitive salinomycin derivative with high cytotoxicity towards cancer cells.","Chemical communications (Cambridge, England)","2016","52","29","5136","5139","10.1039/c6cc01508e","","","1.54178","CuKα","","0.0431","0.042","","","0.1185","0.1198","","","","","","1.035","","","","has coordinates,has disorder","181558","2020-10-21","18:00:00",""
"7118931","15.7886","0.0013","15.9425","0.0009","16.3286","0.0007","90","","90","","90","","4110.1","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H45 N15 O8 S2 Zn2 -","- C18 H45 N15 O8 S2 Zn2 -","- C72 H180 N60 O32 S8 Zn8 -","4","1","","Tang, Yu-Huan; Wang, Fei; Liu, Jin-Xiu; Zhang, Jian","Diverse tetrahedral tetrazolate frameworks with N-rich surface.","Chemical communications (Cambridge, England)","2016","52","32","5625","5628","10.1039/c6cc00589f","","","0.71073","MoKα","","0.1086","0.0793","","","0.1912","0.2203","","","","","","0.999","","","","has coordinates","182613","2020-10-21","18:00:00",""
"7118943","6.4272","0.0001","11.7684","0.0002","18.3674","0.0004","90","","90","","90","","1389.27","0.04","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Laugeois, Maxime; Ponra, Sudipta; Ratovelomanana-Vidal, Virginie; Michelet, Véronique; Vitale, Maxime R.","Asymmetric preparation of polysubstituted cyclopentanes by synergistic Pd(0)/amine catalyzed formal [3+2] cycloadditions of vinyl cyclopropanes with enals.","Chemical communications (Cambridge, England)","2016","52","30","5332","5335","10.1039/c6cc01775d","","","1.54178","CuKα","","0.0289","0.0278","","","0.0737","0.0746","","","","","","1.068","","","","has coordinates","182595","2020-10-21","18:00:00",""
"7119031","13.3962","0.0012","19.3637","0.0016","22.587","0.002","90","","90","","90","","5859.1","0.9","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-binaphtyl gold(I)-isocyanide complex","(S)-1G","","- C34.5 H23 Au2 Cl N2 -","- C34.5 H23 Au2 Cl N2 -","- C276 H184 Au16 Cl8 N16 -","8","2","","Jin, Mingoo; Seki, Tomohiro; Ito, Hajime","Luminescent mechanochromism of a chiral complex: distinct crystal structures and color changes of racemic and homochiral gold( <scp>i</scp> ) isocyanide complexes with a binaphthyl moiety","Chem. Commun.","2016","52","52","8083","8086","10.1039/C6CC03541H","","","0.71075","MoKα","","0.0892","0.0641","","","0.1251","0.138","","","","","","1.051","","","","has coordinates,has disorder","282905","2023-04-28","18:54:43",""
"7119038","9.1953","0.0005","15.9688","0.0008","16.377","0.0009","90","","90","","90","","2404.8","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N3 O6 -","- C20 H35 N3 O6 -","- C80 H140 N12 O24 -","4","1","","Mihye Lee; Jihyun Shim; Philjae Kang; Moon-Gun Choi; Soo Hyuk Choi","Stabilization of 11/9-helical alpha/beta-peptide foldamers in protic solvents","Chem.Commun.","2016","52","","5950","","","","","0.71073","MoKα","","0.0525","0.0355","","","0.0719","0.0779","","","","","","1.052","","","","has coordinates","183982","2020-10-21","18:00:00",""
"7119039","9.7107","0.0007","17.8054","0.0012","18.6925","0.0014","90","","90","","90","","3232","0.4","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H49 N5 O8 -","- C29 H49 N5 O8 -","- C116 H196 N20 O32 -","4","1","","Mihye Lee; Jihyun Shim; Philjae Kang; Moon-Gun Choi; Soo Hyuk Choi","Stabilization of 11/9-helical alpha/beta-peptide foldamers in protic solvents","Chem.Commun.","2016","52","","5950","","","","","0.71073","MoKα","","0.0299","0.0275","","","0.067","0.0686","","","","","","1.053","","","","has coordinates","183982","2020-10-21","18:00:00",""
"7119040","9.5052","0.0017","17.583","0.003","23.471","0.004","90","","90","","90","","3922.7","1.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H52 Cl3 N5 O8 -","- C31 H52 Cl3 N5 O8 -","- C124 H208 Cl12 N20 O32 -","4","1","","Mihye Lee; Jihyun Shim; Philjae Kang; Moon-Gun Choi; Soo Hyuk Choi","Stabilization of 11/9-helical alpha/beta-peptide foldamers in protic solvents","Chem.Commun.","2016","52","","5950","","","","","1.54178","CuKα","","0.0711","0.0682","","","0.1889","0.1943","","","","","","1.041","","","","has coordinates,has disorder","183982","2020-10-21","18:00:00",""
"7119058","12.919","0.002","15.875","0.003","17.332","0.003","90","","90","","90","","3554.6","1.1","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3aS,3'R,4S,6R,6aS)-Tri-tert-butyl 4-(2-bromophenyl)-1,2',3-trioxo-3a,4,6,6a-tetrahydro -1H-spiro[cyclopenta[c]pyrrole-5,3'-indoline]-1',2,6(3H)-tricarboxylate","","- C35 H39 Br N2 O9 -","- C35 H39 Br N2 O9 -","- C140 H156 Br4 N8 O36 -","4","1","","Bo-Liang Zhao; Da-Ming Du","Organocatalytic cascade Michael/Michael reaction for the asymmetric synthesis of spirooxindoles containing five contiguous stereocenters","Chem.Commun.","2016","52","","6162","","","","","0.71073","MoKα","","0.0559","0.0434","","","0.0524","0.0559","","","","","","0.998","","","","has coordinates","183994","2020-10-21","18:00:00",""
"7119060","7.9386","0.0002","17.6476","0.0004","19.6814","0.0004","90","","90","","90","","2757.31","0.11","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 I2 N3 O2 -","- C28 H29 I2 N3 O2 -","- C112 H116 I8 N12 O8 -","4","1","","Jaroslav Sebestik; Filip Teply; Ivana Cisarova; Jan Vavra; Dusan Koval; Petr Bour","Intense chirality induction in nitrile solvents by a helquat dye monitored by near resonance Raman scattering","Chem.Commun.","2016","52","","6257","","","","","0.71073","MoKα","","0.0199","0.0181","","","0.0417","0.0425","","","","","","1.039","","","","has coordinates","184013","2020-10-21","18:00:00",""
"7119073","11.2312","0.0012","16.239","0.002","22.524","0.002","90","","90","","90","","4108","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 N O5 -","- C26 H17 N O5 -","- C208 H136 N8 O40 -","8","2","","Rong-Guo Shi; Xiao-Hua Wang; Ruzhang Liu; Chao-Guo Yan","Two-carbon ring expansion of isatin: a convenient construction of a dibenzo[b,d]azepinone scaffold","Chem.Commun.","2016","52","","6280","","","","","0.71073","MoKα","","0.1101","0.0501","","","0.0828","0.0967","","","","","","1.014","","","","has coordinates","184112","2020-10-21","18:00:00",""
"7119103","6.67202","0.00007","12.80551","0.00014","18.3291","0.0002","90","","90","","90","","1566.01","0.03","223","0.1","223","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 O3 -","- C16 H28 O3 -","- C64 H112 O12 -","4","1","","Yajun Ren; Marc Presset; Jeremy Godemert; Nicolas Vanthuyne; Jean-Valere Naubron; Michel Giorgi; Jean Rodriguez; Yoann Coquerel","A switchable dual organocatalytic system and the enantioselective total synthesis of the quadrane sesquiterpene suberosanone","Chem.Commun.","2016","52","","6565","","","","x-ray","1.54184","CuKα","","0.0345","0.0338","","","0.0889","0.0899","","","","","","1.031","","","","has coordinates","184193","2020-10-21","18:00:00",""
"7119113","5.4909","0.0003","15.4713","0.0009","26.0024","0.0015","90","","90","","90","","2208.9","0.2","176","2","176","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C21 H26 Cl2 N4 O2 -","- C21 H26 Cl2 N4 O2 -","- C84 H104 Cl8 N16 O8 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0612","0.0467","","","0.0793","0.0832","","","","","","1.078","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119140","8.6053","0.001","11.6403","0.0014","17.468","0.002","90","","90","","90","","1749.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Yuan-Ming Sun; Peng Gu; Yu-Ning Gao; Qin Xu; Min Shi","Gold(I) catalyzed tandem cyclization of propargylic esters to 4-acyloxy-1,2-dihydroquinolines","Chem.Commun.","2016","52","","6942","","","","","0.71073","MoKα","","0.0418","0.0385","","","0.1014","0.1043","","","","","","1.01","","","","has coordinates","185777","2020-10-21","18:00:00",""
"7119141","7.0929","0.0002","15.6774","0.0004","20.8647","0.0005","90","","90","","90","","2320.12","0.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 F6 Ir N O P -","- C21 H29 F6 Ir N O P -","- C84 H116 F24 Ir4 N4 O4 P4 -","4","1","","Ross A. Arthurs; Peter N. Horton; Simon J. Coles; Christopher J. Richards","Metallocene to metallocene conversion. Synthesis of an oxazoline-substituted pentamethyliridocenium cation from a ferrocenyloxazoline","Chem.Commun.","2016","52","","7024","","","","","0.71073","MoKα","","0.0333","0.0281","","","0.059","0.0606","","","","","","1.03","","","","has coordinates,has disorder","185778","2020-10-21","18:00:00",""
"7119181","5.9638","0.0001","7.4011","0.0001","40.7678","0.0005","90","","90","","90","","1799.44","0.04","293","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","1","","Wei Zhou; Peng Chen; Mengna Tao; Xiao Su; Qingjie Zhao; Junliang Zhang","Enantioselective intermolecular cross Rauhut-Currier reactions of activated alkenes with acrolein","Chem.Commun.","2016","52","","7612","","","","","1.54178","CuKα","","0.0452","0.041","","","0.1187","0.1239","","","","","","1.044","","","","has coordinates","186030","2020-10-21","18:00:00",""
"7119182","8.966","0.0004","10.6824","0.0004","34.6972","0.0013","90","","90","","90","","3323.2","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H38 N O P S -","- C39 H38 N O P S -","- C156 H152 N4 O4 P4 S4 -","4","1","","Wei Zhou; Peng Chen; Mengna Tao; Xiao Su; Qingjie Zhao; Junliang Zhang","Enantioselective intermolecular cross Rauhut-Currier reactions of activated alkenes with acrolein","Chem.Commun.","2016","52","","7612","","","","","0.71073","MoKα","","0.074","0.0486","","","0.106","0.1201","","","","","","1.016","","","","has coordinates","186030","2020-10-21","18:00:00",""
"7119190","6.1848","0.0002","13.6417","0.0003","27.9922","0.0007","90","","90","","90","","2361.74","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 F3 N4 O3 -","- C26 H25 F3 N4 O3 -","- C104 H100 F12 N16 O12 -","4","1","","Pettersson, Martin; Johnson, Douglas S.; Rankic, Danica A.; Kauffman, Gregory W.; am Ende, Christopher W.; Butler, Todd W.; Boscoe, Brian; Evrard, Edelweiss; Helal, Christopher J.; Humphrey, John M.; Stepan, Antonia F.; Stiff, Cory M.; Yang, Eddie; Xie, Longfei; Bales, Kelly R.; Hajos-Korcsok, Eva; Jenkinson, Stephen; Pettersen, Betty; Pustilnik, Leslie R.; Ramirez, David S.; Steyn, Stefanus J.; Wood, Kathleen M.; Verhoest, Patrick R.","Discovery of cyclopropyl chromane-derived pyridopyrazine-1,6-dione γ-secretase modulators with robust central efficacy","Med. Chem. Commun.","2017","8","4","730","","10.1039/C6MD00406G","","","1.54178","CuKα","","0.0476","0.0444","","","0.1073","0.1101","","","","","","1.068","","","","has coordinates,has disorder","196473","2020-10-21","18:00:00",""
"7119212","6.7492","0.0007","7.2139","0.0007","31.441","0.003","90","","90","","90","","1530.8","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O5 S -","- C15 H20 N2 O5 S -","- C60 H80 N8 O20 S4 -","4","1","","Tan, Davin; Friščić, Tomislav","Carbodiimide insertion into sulfonimides: one-step route to azepine derivatives via a two-atom saccharin ring expansion.","Chemical communications (Cambridge, England)","2017","53","5","901","904","10.1039/c6cc07331j","","","0.71073","MoKα","","0.0529","0.0405","","","0.0981","0.103","","","","","","1.096","","","","has coordinates","191481","2020-10-21","18:00:00",""
"7119216","11.6278","0.0004","11.867","0.0005","32.841","0.002","90","","90","","90","","4531.6","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H80 N6 Na2 Si4 -","- C32 H80 N6 Na2 Si4 -","- C128 H320 N24 Na8 Si16 -","4","1","","Ojeda-Amador, Ana I; Martínez-Martínez, Antonio J; Kennedy, Alan R.; Armstrong, David R.; O'Hara, Charles T","Monodentate coordination of the normally chelating chiral diamine (R,R)-TMCDA.","Chemical communications (Cambridge, England)","2016","53","2","324","327","10.1039/c6cc07190b","","","0.71073","MoKα","","0.0605","0.0431","","","0.0859","0.0927","","","","","","1.026","","","","has coordinates,has disorder","189731","2020-10-21","18:00:00",""
"7119272","6.2485","0.0012","9.5833","0.0019","26.376","0.005","90","","90","","90","","1579.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-benzyl-2-phenyl-4-(trifluoromethyl)-2,5-dihydro-1H-pyrrole","","- C18 H16 F3 N -","- C18 H16 F3 N -","- C72 H64 F12 N4 -","4","1","","Zhou, Xiaofan; Huang, Chaoqian; Zeng, Yu; Xiong, Jiarui; Xiao, Yuanjing; Zhang, Junliang","Silver-catalysed tandem hydroamination and cyclization of 2-trifluoromethyl-1,3-enynes with primary amines: modular entry to 4-trifluoromethyl-3-pyrrolines.","Chemical communications (Cambridge, England)","2017","53","6","1084","1087","10.1039/c6cc09595j","","","0.71073","MoKα","","0.1212","0.0439","","","0.083","0.1092","","","","","","1.022","","","","has coordinates","191472","2020-10-21","18:00:00",""
"7119323","10.1064","0.001","12.4748","0.0012","21.895","0.002","90","","90","","90","","2760.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O2 S -","- C14 H19 N O2 S -","- C112 H152 N8 O16 S8 -","8","2","","Song, Bo; Yu, Chang-Bin; Ji, Yue; Chen, Mu-Wang; Zhou, Yong-Gui","Synthesis of chiral sultams via palladium-catalyzed intramolecular asymmetric reductive amination.","Chemical communications (Cambridge, England)","2017","53","10","1704","1707","10.1039/c6cc09493g","","","0.71073","MoKα","","0.0587","0.0451","","","0.1001","0.107","","","","","","1.046","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7119354","12.6831","0.0005","13.3648","0.0005","25.5629","0.0009","90","","90","","90","","4333.1","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Rh-SC-1","","- C43 H44 N3 O5 Rh -","- C43 H44 N3 O5 Rh -","- C172 H176 N12 O20 Rh4 -","4","1","","Liangliang; Song; Lei; Gong; Eric; Meggers","Asymmetric dual catalysis via fragmentation of a single rhodium precursor complex","Chem.Commun.","2016","52","","7699","","","","","0.71073","MoKα","","0.0888","0.0792","","","0.2105","0.2191","","","","","","1.001","","","","has coordinates","189983","2020-10-21","18:00:00",""
"7119355","6.202","","12.159","","30.276","","90","","90","","90","","2283.12","","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","comound 6a'","","- C24 H27 Br O5 -","- C24 H27 Br O5 -","- C96 H108 Br4 O20 -","4","1","","Liangliang; Song; Lei; Gong; Eric; Meggers","Asymmetric dual catalysis via fragmentation of a single rhodium precursor complex","Chem.Commun.","2016","52","","7699","","","","","0.71073","MoKα","","0.0922","0.0601","","","0.1068","0.114","","","","","","1.013","","","","has coordinates","189983","2020-10-21","18:00:00",""
"7119370","9.0301","0.0013","16.641","0.002","25.46","0.004","90","","90","","90","","3825.9","0.9","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H43 Fe N4 O11 S -","- C35 H43 Fe N4 O11 S -","- C140 H172 Fe4 N16 O44 S4 -","4","1","","Pulukkody, Randara; Chupik, Rachel B.; Montalvo, Steven K.; Khan, Sarosh; Bhuvanesh, Nattamai; Lim, Soon-Mi; Darensbourg, Marcetta Y.","Toward biocompatible dinitrosyl iron complexes: sugar-appended thiolates.","Chemical communications (Cambridge, England)","2017","53","6","1180","1183","10.1039/c6cc08659d","","","0.71073","MoKα","","0.0414","0.0354","","","0.0898","0.0949","","","","","","1.073","","","","has coordinates,has disorder","191475","2020-10-21","18:00:00",""
"7119375","5.5517","0.0018","11.006","0.004","24.121","0.008","90","","90","","90","","1473.8","0.9","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","","Chun-Wei; Kuo; Ashok; Konala; Lyu; Lin; Ting-Ta; Chiang; Chia-Yu; Huang; Tang-Hao; Yang; Veerababurao; Kavala; Ching-Fa; Yao","Synthesis of benzo[a]carbazole derivatives from 3-ethylindoles by exploiting the dual character of benzoquinone as an oxidizing agent and dienophile","Chem.Commun.","2016","52","","7870","","","","","0.71073","MoKα","","0.0903","0.0484","","","0.0951","0.1252","","","","","","1.052","","","","has coordinates","190051","2020-10-21","18:00:00",""
"7119377","7.174","0.0007","14.3271","0.0014","17.4194","0.0017","90","","90","","90","","1790.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3ca'","","- C20 H15 Cl N2 O2 -","- C20 H15 Cl N2 O2 -","- C80 H60 Cl4 N8 O8 -","4","1","","Zhu, Gongming; Yang, Junxian; Bao, Guangjun; Zhang, Ming; Li, Jing; Li, Yiping; Sun, Wangsheng; Hong, Liang; Wang, Rui","Catalyst-controlled switch of regioselectivity in the asymmetric allylic alkylation of oxazolones with MBHCs","Chemical Communications","2016","52","50","7882","7885","10.1039/c6cc03246j","","","0.71073","MoKα","","0.0328","0.028","","","0.0632","0.0661","","","","","","1.004","","","","has coordinates","209430","2020-10-21","18:00:00",""
"7119378","7.1668","0.0004","12.4455","0.0008","21.2096","0.0012","90","","90","","90","","1891.78","0.19","273.77","0.1","273.77","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","SN2","","- C21 H18 Cl N O4 -","- C21 H18 Cl N O4 -","- C84 H72 Cl4 N4 O16 -","4","1","","Zhu, Gongming; Yang, Junxian; Bao, Guangjun; Zhang, Ming; Li, Jing; Li, Yiping; Sun, Wangsheng; Hong, Liang; Wang, Rui","Catalyst-controlled switch of regioselectivity in the asymmetric allylic alkylation of oxazolones with MBHCs","Chemical Communications","2016","52","50","7882","7885","10.1039/c6cc03246j","","x-ray","0.71073","MoKα","","0.0827","0.0538","","","0.0962","0.1143","","","","","","1.025","","","","has coordinates","209430","2020-10-21","18:00:00",""
"7119433","14.2548","0.0008","24.6361","0.0014","25.133","0.0016","90","","90","","90","","8826.3","0.9","293","3","293","3","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N3 O6 -","- C19 H19 N3 O6 -","- C304 H304 N48 O96 -","16","4","","Kokan, Zoran; Perić, Berislav; Vazdar, Mario; Marinić, Željko; Vikić-Topić, Dražen; Meštrović, Ernest; Kirin, Srećko I","Metal-induced supramolecular chirality inversion of small self-assembled molecules in solution.","Chemical communications (Cambridge, England)","2017","53","12","1945","1948","10.1039/c6cc09203a","","x-ray","1.54184","CuKα","","0.1489","0.0884","","","0.2173","0.2767","","","","","","0.899","","","","has coordinates","193719","2020-10-21","18:00:00",""
"7119499","11.0383","0.0002","19.3794","0.0005","25.1577","0.0006","90","","90","","90","","5381.6","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 Cu4 N15 O8 -","- C41 H43 Cu4 N15 O8 -","- C164 H172 Cu16 N60 O32 -","4","1","","Ahmed, Basil M.; Mezei, Gellert","Accessing the inaccessible: discrete multinuclear coordination complexes and selective anion binding attainable only by tethering ligands together.","Chemical communications (Cambridge, England)","2017","53","6","1029","1032","10.1039/c6cc09197k","","","0.71073","MoKα","","0.0578","0.053","","","0.1585","0.1641","","","","","","1.15","","","","has coordinates","190613","2020-10-21","18:00:00",""
"7119513","8.7005","0.0016","8.8005","0.0016","18.865","0.003","90","","90","","90","","1444.5","0.4","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Neyyappadath, Rifahath M.; Cordes, David B.; Slawin, Alexandra M. Z.; Smith, Andrew D.","6-exo-trig Michael addition-lactonizations for catalytic enantioselective chromenone synthesis.","Chemical communications (Cambridge, England)","2017","53","17","2555","2558","10.1039/c6cc10178j","","","1.54187","CuKα","","0.0585","0.0502","","","0.1232","0.1296","","","","","","1.02","","","","has coordinates","193670","2020-10-21","18:00:00",""
"7119569","6.714","0.0003","6.7632","0.0003","27.8703","0.0012","90","","90","","90","","1265.54","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-butyl(1-methyl-1-oxido-3-oxo-3,4,5,6-tetrahydro-2-thiazin-4-yl)carbamate","","- C10 H18 N2 O4 S -","- C10 H18 N2 O4 S -","- C40 H72 N8 O16 S4 -","4","1","","Lohier, Jean-François; Glachet, Thomas; Marzag, Hamid; Gaumont, Annie-Claude; Reboul, Vincent","Mechanistic investigation of the NH-sulfoximination of sulfide. Evidence for λ(6)-sulfanenitrile intermediates.","Chemical communications (Cambridge, England)","2017","53","12","2064","2067","10.1039/c6cc09940h","","","0.71073","MoKα","","0.0398","0.0314","","","0.069","0.0731","","","","","","1.038","","","","has coordinates","193724","2020-10-21","18:00:00",""
"7119570","10.6636","0.0003","13.5571","0.0003","21.8099","0.0008","90","","90","","90","","3153","0.16","295.3","1","295.3","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O7 -","- C32 H38 N2 O7 -","- C128 H152 N8 O28 -","4","1","","Zhou, Yuhang; Lu, Yan; Hu, Xinyue; Mei, Hongjiang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Highly diastereo- and enantioselective synthesis of spirooxindole-cyclohexaneamides through N,N'-dioxide/Ni(ii)-catalyzed Diels-Alder reactions.","Chemical communications (Cambridge, England)","2017","53","12","2060","2063","10.1039/c6cc10125a","","x-ray","1.54184","CuKα","","0.0712","0.0664","","","0.1833","0.1914","","","","","","1.034","","","","has coordinates","193718","2020-10-21","18:00:00",""
"7119572","5.8271","0.0007","12.4492","0.0014","16.779","0.002","90","","90","","90","","1217.2","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N4 -","- C15 H12 N4 -","- C60 H48 N16 -","4","1","","Fauché, Kévin; Nauton, Lionel; Jouffret, Laurent; Cisnetti, Federico; Gautier, Arnaud","A catalytic intramolecular nitrene insertion into a copper(i)-N-heterocyclic carbene bond yielding fused nitrogen heterocycles.","Chemical communications (Cambridge, England)","2017","53","15","2402","2405","10.1039/c6cc09160a","","","0.71073","MoKα","","0.0369","0.0339","","","0.0923","0.0949","","","","","","1.068","","","","has coordinates","193701","2020-10-21","18:00:00",""
"7119585","5.1666","0.001","12.446","0.003","25.39","0.005","90","","90","","90","","1632.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Br N4 O2 -","- C14 H19 Br N4 O2 -","- C56 H76 Br4 N16 O8 -","4","1","","Zhu, Chuanle; Chen, Pengquan; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng","C[double bond, length as m-dash]N bond formation via palladium-catalyzed carbene insertion into N[double bond, length as m-dash]N bonds: inhibiting the general 1,2-migration process of ylide intermediates.","Chemical communications (Cambridge, England)","2017","53","18","2697","2700","10.1039/c6cc10187a","","","0.71073","MoKα","","0.1708","0.0438","","","0.0753","0.1017","","","","","","0.829","","","","has coordinates","193709","2020-10-21","18:00:00",""
"7119600","5.3751","0.0003","7.6377","0.0004","38.647","0.002","90","","90","","90","","1586.59","0.15","123","","123","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O4 -","- C16 H26 O4 -","- C64 H104 O16 -","4","1","","Lehmann, Johannes; Richers, Johannes; Pöthig, Alexander; Sieber, Stephan A.","Synthesis of ramariolide natural products and discovery of their targets in mycobacteria.","Chemical communications (Cambridge, England)","2016","53","1","107","110","10.1039/c6cc08365j","","x-ray","0.71073","MoKα","","0.0375","0.0311","","","0.0585","0.0603","","","","","","1.038","","","","has coordinates","191444","2020-10-21","18:00:00",""
"7119603","5.7303","0.0001","7.7701","0.0002","27.8613","0.0006","90","","90","","90","","1240.52","0.05","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O S -","- C15 H14 O S -","- C60 H56 O4 S4 -","4","1","","Zhang, Yuexia; Wong, Zeng Rong; Wu, Xingxing; Lauw, Sherman J. L.; Huang, Xuan; Webster, Richard D.; Chi, Yonggui Robin","Sulfoxidation of alkenes and alkynes with NFSI as a radical initiator and selective oxidant.","Chemical communications (Cambridge, England)","2016","53","1","184","187","10.1039/c6cc08631d","","","1.54178","CuKα","","0.0466","0.0438","","","0.1004","0.1016","","","","","","1.077","","","","has coordinates","191446","2020-10-21","18:00:00",""
"7119612","5.8561","0.0003","23.26","0.0009","44.864","0.002","90","","90","","90","","6111.1","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 N2 O2 S -","- C38 H32 N2 O2 S -","- C304 H256 N16 O16 S8 -","8","2","","Chakrabarty, Indradweep; Inamdar, Suleman M.; Akram, Manjur O.; Gade, Amol B.; Banerjee, Subhrashis; Bera, Saibal; Patil, Nitin T.","[3+2]-Annulation of platinum-bound azomethine ylides with distal C[double bond, length as m-dash]C bonds of N-allenamides.","Chemical communications (Cambridge, England)","2016","53","1","196","199","10.1039/c6cc07874e","","x-ray","1.54184","CuKα","","0.0947","0.0585","","","","0.1611","","","","","","1.056","","","","has coordinates","191451","2020-10-21","18:00:00",""
"7119616","7.965","0.0002","9.5073","0.0002","16.0506","0.0004","90","","90","","90","","1215.44","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Ramya Raghunathan; Elango Kumarasamy; Steffen Jockusch; Angel Ugrinov; J. Sivaguru","Engaging electronic effects for atropselective [5+2]-photocycloaddition of maleimides","Chem.Commun.","2016","52","","8305","","","","","1.54178","CuKα","","0.0272","0.0266","","","0.0656","0.0661","","","","","","1.068","","","","has coordinates","191777","2020-10-21","18:00:00",""
"7119617","7.9647","0.0002","9.5076","0.0003","16.0492","0.0005","90","","90","","90","","1215.33","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Ramya Raghunathan; Elango Kumarasamy; Steffen Jockusch; Angel Ugrinov; J. Sivaguru","Engaging electronic effects for atropselective [5+2]-photocycloaddition of maleimides","Chem.Commun.","2016","52","","8305","","","","","1.54178","CuKα","","0.0283","0.0277","","","0.0679","0.0684","","","","","","1.104","","","","has coordinates","191777","2020-10-21","18:00:00",""
"7119618","8.5431","0.0008","9.8089","0.0008","14.6636","0.0012","90","","90","","90","","1228.79","0.18","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","","Ramya Raghunathan; Elango Kumarasamy; Steffen Jockusch; Angel Ugrinov; J. Sivaguru","Engaging electronic effects for atropselective [5+2]-photocycloaddition of maleimides","Chem.Commun.","2016","52","","8305","","","","","0.71073","MoKα","","0.0244","0.0204","","","0.0425","0.0436","","","","","","1.04","","","","has coordinates","191777","2020-10-21","18:00:00",""
"7119633","8.949","0.003","14.797","0.004","15.706","0.005","90","","90","","90","","2079.8","1.1","295","1","295","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Br N O3 S -","- C19 H26 Br N O3 S -","- C76 H104 Br4 N4 O12 S4 -","4","1","","Sirvent, Ana; Soler, Tatiana; Foubelo, Francisco; Yus, Miguel","Selective palladium(ii)-mediated oxidation of homoallylic N-tert-butanesulfinyl amine derivatives.","Chemical communications (Cambridge, England)","2017","53","18","2701","2704","10.1039/c7cc00826k","","","0.71073","MoKα","","0.0772","0.0473","","","0.1104","0.1264","","","","","","1.024","","","","has coordinates","193711","2020-10-21","18:00:00",""
"7119636","9.645","0.004","11.952","0.005","19.826","0.008","90","","90","","90","","2285.5","1.6","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Cl N3 O -","- C27 H22 Cl N3 O -","- C108 H88 Cl4 N12 O4 -","4","1","","Yamauchi, Daisuke; Nishimura, Takahiro; Yorimitsu, Hideki","Asymmetric hydroarylation of vinyl ethers catalyzed by a hydroxoiridium complex: azoles as effective directing groups.","Chemical communications (Cambridge, England)","2017","53","18","2760","2763","10.1039/c7cc00238f","","","1.54187","CuKα","","0.0673","0.0449","","","0.0941","0.1031","","","","","","1.043","","","","has coordinates","193717","2020-10-21","18:00:00",""
"7119649","9.4627","0.0002","11.1519","0.0003","18.1676","0.0006","90","","90","","90","","1917.17","0.09","294.39","0.1","294.39","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Cl N O2 -","- C23 H20 Cl N O2 -","- C92 H80 Cl4 N4 O8 -","4","1","","Yan Lu; Yuhang Zhou; Lili Lin; Haifeng Zheng; Kai Fu; Xiaohua Liu; Xiaoming Feng","N,N'-Dioxide/nickel(II)-catalyzed asymmetric Diels-Alder reaction of cyclopentadiene with 2,3-dioxopyrrolidines and 2=alkenoyl pyridines","Chem.Commun.","2016","52","","8255","","","","x-ray","1.54184","CuKα","","0.0509","0.0479","","","0.1258","0.1296","","","","","","1.067","","","","has coordinates","192002","2020-10-21","18:00:00",""
"7119650","16.2716","0.0015","21.2062","0.0018","10.0994","0.0009","90","","90","","90","","3484.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-Methyl-2-Phenylbutyramide, Salicylic acid","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C144 H168 N8 O32 -","8","2","","U. B. Rao Khandavilli; Matteo Lusi; Balakrishna R. Bhogala; Anita R. Maguire; Matthias Stein; Simon E. Lawrence","Diversity in a simple co-crystal: racemic and kryptoracemic behaviour","Chem.Commun.","2016","52","","8309","8312","10.1039/C6CC04148E","","","0.71073","","","0.0584","0.0464","","","0.1387","0.1507","","","","","","1.005","","","","has coordinates","287771","2023-11-24","08:38:55",""
"7119657","8.7225","0.0007","10.1995","0.0008","22.6633","0.0018","90","","90","","90","","2016.2","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O4 S -","- C21 H20 N2 O4 S -","- C84 H80 N8 O16 S4 -","4","1","","Ma, Chaoqun; Chen, Jianghui; Xing, Dong; Sheng, Yuan; Hu, Wenhao","Iron catalyzed efficient synthesis of poly-functional primary amines via the direct use of ammonia.","Chemical communications (Cambridge, England)","2017","53","19","2854","2857","10.1039/c7cc00003k","","","0.71073","MoKα","","0.0364","0.0335","","","0.0838","0.0863","","","","","","1.036","","","","has coordinates","193677","2020-10-21","18:00:00",""
"7119703","5.9975","0.0011","15.485","0.003","18.46","0.003","90","","90","","90","","1714.4","0.5","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Huang, Daorui; Xu, Guangyang; Peng, Shiyong; Sun, Jiangtao","Gold-catalyzed highly regio- and enantioselective vinylcarbene insertion into O-H bonds of 2-pyridones.","Chemical communications (Cambridge, England)","2017","53","22","3197","3200","10.1039/c6cc10246h","","","0.71073","MoKα","","0.0669","0.0421","","","0.1131","0.1272","","","","","","1.049","","","","has coordinates","194945","2020-10-21","18:00:00",""
"7119705","8.1374","0.0005","14.262","0.0009","16.0081","0.0012","90","","90","","90","","1857.8","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","170109_s3_zzw","","- C16 H25 Br O2 Si -","- C16 H25 Br O2 Si -","- C64 H100 Br4 O8 Si4 -","4","1","","Chu, Zhiwen; Wang, Kai; Gao, Lu; Song, Zhenlei","Chiral crotyl geminal bis(silane): a useful reagent for asymmetric Sakurai allylation by selective desilylation-enabled chirality transfer.","Chemical communications (Cambridge, England)","2017","53","21","3078","3081","10.1039/c7cc00632b","","x-ray","0.71073","MoKα","","0.1189","0.0536","","","0.0945","0.1184","","","","","","1.031","","","","has coordinates","204136","2020-10-21","18:00:00",""
"7119759","11.6508","0.0002","13.8642","0.0002","16.6288","0.0003","90","","90","","90","","2686.03","0.08","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H29 N O3 -","- C35 H29 N O3 -","- C140 H116 N4 O12 -","4","1","","Zhou, Ji; Wang, Mao-Lin; Gao, Xiang; Jiang, Guo-Fang; Zhou, Yong-Gui","Bifunctional squaramide-catalyzed synthesis of chiral dihydrocoumarins via ortho-quinone methides generated from 2-(1-tosylalkyl)phenols.","Chemical communications (Cambridge, England)","2017","53","25","3531","3534","10.1039/c7cc01072a","","","1.54178","CuKα","","0.0503","0.0491","","","0.1252","0.1266","","","","","","1.049","","","","has coordinates","194970","2020-10-21","18:00:00",""
"7119778","8.7758","0.0003","10.3761","0.0004","16.7996","0.0006","90","","90","","90","","1529.75","0.1","104.8","","104.8","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Cl N2 O3 -","- C17 H15 Cl N2 O3 -","- C68 H60 Cl4 N8 O12 -","4","1","","Yang, Dongyan; wan, chuan; He, Mengmeng; Che, chuanliang; Xiao, Yumei; bin, fu; Qin, Zhaohai","Design, synthesis, crystal structure and fungicidal activity of (E)-5-(methoxyimino)-3,5-dihydrobenzo[e][1,2]oxazepin-4(1H)-one analogues","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00025A","","","0.7107","MoKα","","0.0337","0.0306","","","0.0655","0.0675","","","","","","1.043","","","","has coordinates","194122","2020-10-21","18:00:00",""
"7119783","7.8733","0.0003","11.1819","0.0004","29.729","0.0011","90","","90","","90","","2617.3","0.17","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 O2 Si -","- C33 H32 O2 Si -","- C132 H128 O8 Si4 -","4","1","","Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Shibatomi, Kazutaka; Iwasa, Seiji","Ru(ii)-Pheox-catalyzed Si-H insertion reaction: construction of enantioenriched carbon and silicon centers.","Chemical communications (Cambridge, England)","2017","53","26","3753","3756","10.1039/c7cc01070b","","x-ray","0.71069","MoKα","","0.0404","0.0382","","","0.095","0.0969","","","","","","1.054","","","","has coordinates","194962","2020-10-21","18:00:00",""
"7119817","10.7312","0.0006","11.0728","0.0006","12.9937","0.0007","90","","90","","90","","1543.97","0.15","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Br N2 O2 -","- C17 Br N2 O2 -","- C68 Br4 N8 O8 -","4","1","","Huang, Xiaoshan; Cong, Xuefeng; Mi, Pengbing; Bi, Xihe","Azomethine-isocyanide [3+2] cycloaddition to imidazoles promoted by silver and DBU.","Chemical communications (Cambridge, England)","2017","53","27","3858","3861","10.1039/c7cc00772h","","","0.71073","MoKα","","0.1658","0.1508","","","0.3735","0.3885","","","","","","2.748","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7119824","7.99603","0.00012","10.0168","0.00013","11.32452","0.00015","90","","90","","90","","907.03","0.02","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Benzoyl-5H-1,2,3-dithiazol-5-one, high-temperature polymorph","","- C9 H5 N O2 S2 -","- C9 H5 N O2 S2 -","- C36 H20 N4 O8 S8 -","4","1","","Mayo, R. Alex; Sullivan, David J.; Fillion, Travis A. P.; Kycia, Stefan W.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Reversible crystal-to-crystal chiral resolution: making/breaking non-bonding SO interactions.","Chemical communications (Cambridge, England)","2017","53","28","3964","","10.1039/c7cc00907k","","","1.54184","CuKα","","0.0229","0.0228","","","0.0625","0.0625","","","","","","1.073","","","","has coordinates","194929","2020-10-21","18:00:00",""
"7119825","8.23838","0.00012","10.03744","0.00012","11.30577","0.00014","90","","90","","90","","934.9","0.02","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Benzoyl-5H-1,2,3-dithiazol-5-one, high-temperature polymorph","","- C9 H5 N O2 S2 -","- C9 H5 N O2 S2 -","- C36 H20 N4 O8 S8 -","4","1","","Mayo, R. Alex; Sullivan, David J.; Fillion, Travis A. P.; Kycia, Stefan W.; Soldatov, Dmitriy V.; Preuss, Kathryn E.","Reversible crystal-to-crystal chiral resolution: making/breaking non-bonding SO interactions.","Chemical communications (Cambridge, England)","2017","53","28","3964","","10.1039/c7cc00907k","","","1.54184","CuKα","","0.0304","0.0299","","","0.0801","0.0808","","","","","","1.064","","","","has coordinates","194929","2020-10-21","18:00:00",""
"7119836","11.2888","0.0004","12.3949","0.0004","19.3","0.0005","90","","90","","90","","2700.52","0.15","135","2","135","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N3 O7 -","- C27 H33 N3 O7 -","- C108 H132 N12 O28 -","4","1","","Ma, Baiwei; Luo, Weiwei; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","A chiral cobalt(ii) complex catalyzed asymmetric formal [3+2] cycloaddition for the synthesis of 1,2,4-triazolines.","Chemical communications (Cambridge, England)","2017","53","29","4077","4079","10.1039/c7cc01278k","","","1.54184","CuKα","","0.051","0.0489","","","0.131","0.135","","","","","","1.044","","","","has coordinates","196260","2020-10-21","18:00:00",""
"7119844","7.4674","0.0002","10.9703","0.0003","13.9309","0.0004","90","","90","","90","","1141.21","0.05","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N4 O6 -","- C10 H14 N4 O6 -","- C40 H56 N16 O24 -","4","1","","Tsanakopoulou, Maria; Xu, Jianfeng; Bond, Andrew D.; Sutherland, John D.","A new and potentially prebiotic α-cytidine derivative.","Chemical communications (Cambridge, England)","2017","53","23","3327","3329","10.1039/c7cc00693d","","","1.54178","CuKα","","0.0277","0.0263","","","0.0679","0.0693","","","","","","1.082","","","","has coordinates","194308","2020-10-21","18:00:00",""
"7119865","9.3404","0.001","11.2518","0.0011","16.982","0.002","90","","90","","90","","1784.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Cl O4 -","- C22 H17 Cl O4 -","- C88 H68 Cl4 O16 -","4","1","","Wang, Shasha; Xiao, Junan; Li, Jun; Xiang, Haoyue; Wang, Chaoming; Chen, Xiaoqing; Carter, Rich G.; Yang, Hua","Discovery of temperature-dependent, autoinductive reversal of enantioselectivity: palladium-mediated [3+3]-annulation of 4-hydroxycoumarins.","Chemical communications (Cambridge, England)","2017","53","32","4441","4444","10.1039/c7cc01610g","","","0.71073","MoKα","","0.0385","0.0305","","","0.0686","0.0723","","","","","","1.022","","","","has coordinates","196268","2020-10-21","18:00:00",""
"7119866","9.3379","0.0002","11.253","0.0003","17.0022","0.0004","90","","90","","90","","1786.58","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Cl O4 -","- C22 H17 Cl O4 -","- C88 H68 Cl4 O16 -","4","1","","Wang, Shasha; Xiao, Junan; Li, Jun; Xiang, Haoyue; Wang, Chaoming; Chen, Xiaoqing; Carter, Rich G.; Yang, Hua","Discovery of temperature-dependent, autoinductive reversal of enantioselectivity: palladium-mediated [3+3]-annulation of 4-hydroxycoumarins.","Chemical communications (Cambridge, England)","2017","53","32","4441","4444","10.1039/c7cc01610g","","","0.71073","MoKα","","0.0321","0.0279","","","0.0701","0.073","","","","","","0.983","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7119868","15.6139","0.0012","15.7965","0.0013","29.712","0.002","90","","90","","90","","7328.3","1","273","2","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","TMOF-2","","","- C56 H50 Cu2 N8 O13 S4 -","- C56 H48 Cu2 N8 O13 S4 -","- C224 H192 Cu8 N32 O52 S16 -","4","1","","Zhang, Guiyang; Fei, Honghan","Missing metal-linker connectivities in a 3-D robust sulfonate-based metal-organic framework for enhanced proton conductivity.","Chemical communications (Cambridge, England)","2017","53","29","4156","4159","10.1039/c7cc01461a","","","0.71073","MoKα","","0.0886","0.0623","","","0.1775","0.1904","","","","","","1.066","","","","has coordinates","196258","2020-10-21","18:00:00",""
"7119872","6.0088","0.0001","14.488","0.0001","25.2409","0.0002","90","","90","","90","","2197.36","0.04","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br2 O6 -","- C23 H22 Br2 O6 -","- C92 H88 Br8 O24 -","4","1","","Lepage, Romain J.; White, Jonathan M.; Coster, Mark J.","A bidirectional synthesis of spiroacetals via Rh(ii)-catalysed C-H insertion.","Chemical communications (Cambridge, England)","2017","53","30","4219","4221","10.1039/c7cc00459a","","","1.5418","CuKα","","0.0261","0.0259","","","0.0702","0.0703","","","","","","1.065","","","","has coordinates","196274","2020-10-21","18:00:00",""
"7119877","11.5834","0.0015","13.5075","0.0018","20.031","0.003","90","","90","","90","","3134.1","0.7","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[(dbzbpen)Cu(OH2)](BF4)2","","- C29 H36 B2 Cu F8 N4 O2 -","- C29 H36 B2 Cu F8 N4 O2 -","- C116 H144 B8 Cu4 F32 N16 O8 -","4","1","","Shen, Junyu; Wang, Mei; Zhang, Peili; Jiang, Jian; Sun, Licheng","Electrocatalytic water oxidation by copper(ii) complexes containing a tetra- or pentadentate amine-pyridine ligand.","Chemical communications (Cambridge, England)","2017","53","31","4374","4377","10.1039/c7cc00332c","","","0.71073","MoKα","","0.0653","0.0605","","","0.1618","0.1655","","","","","","1.045","","","","has coordinates","196284","2020-10-21","18:00:00",""
"7119883","17.5157","0.0004","28.4071","0.0006","34.7703","0.0007","90","","90","","90","","17300.7","0.6","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O4 -","- C23 H24 Br N O4 -","- C736 H768 Br32 N32 O128 -","32","8","","Arlt, Alexander; Toyama, Hideaki; Takada, Koji; Hashimoto, Takuya; Maruoka, Keiji","Phase-transfer catalyzed asymmetric synthesis of α,β-unsaturated γ,γ-disubstituted γ-lactams.","Chemical communications (Cambridge, England)","2017","53","35","4779","4782","10.1039/c7cc01058c","","","1.54187","CuKα","","","0.0368","","","","0.0854","","","","","","1.131","","","","has coordinates","196297","2020-10-21","18:00:00",""
"7119887","10.6312","0.0002","15.7365","0.0003","18.2828","0.0003","90","","90","","90","","3058.67","0.1","140","0.1","140","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3b_le-4-140","","- C33 H40 N4 O -","- C33 H40 N4 O -","- C132 H160 N16 O4 -","4","1","","Eymann, Léonard Y M; Scopelliti, Rosario; Fadaei, Farzaneh T.; Cecot, Giacomo; Solari, Euro; Severin, Kay","Fixation of nitrous oxide by mesoionic and carbanionic N-heterocyclic carbenes.","Chemical communications (Cambridge, England)","2017","53","31","4331","4334","10.1039/c7cc01592e","","x-ray","1.54184","CuKα","","0.0459","0.0401","","","0.1048","0.1083","","","","","","1.03","","","","has coordinates","196282","2020-10-21","18:00:00",""
"7119893","8.2326","0.0002","13.5545","0.0003","17.4759","0.0004","90","","90","","90","","1950.11","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O5 S Zn -","- C19 H22 N2 O5 S Zn -","- C76 H88 N8 O20 S4 Zn4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","1.54184","CuKα","","0.0416","0.0401","","","0.1116","0.1181","","","","","","1.069","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119894","6.2031","0.0002","13.9957","0.0006","16.9125","0.0006","90","","90","","90","","1468.29","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Cl N2 O3 Zn -","- C12 H17 Cl N2 O3 Zn -","- C48 H68 Cl4 N8 O12 Zn4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.0458","0.035","","","0.06","0.0627","","","","","","0.94","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119895","6.166","0.005","15.763","0.005","17.831","0.005","90","0.005","90","0.005","90","0.005","1733.1","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 N2 O6 Zn -","- C14 H22 N2 O6 Zn -","- C56 H88 N8 O24 Zn4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.0622","0.0594","","","0.1667","0.1715","","","","","","1.054","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119897","6.2078","0.0006","14.2553","0.0011","17.0701","0.0016","90","","90","","90","","1510.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Br N2 O3 Zn -","- C12 H19 Br N2 O3 Zn -","- C48 H76 Br4 N8 O12 Zn4 -","4","1","","Karak, Suvendu; Kumar, Sushil; Bera, Saibal; Díaz, David Díaz; Banerjee, Subhrashis; Vanka, Kumar; Banerjee, Rahul","Interplaying anions in a supramolecular metallohydrogel to form metal organic frameworks.","Chemical communications (Cambridge, England)","2017","53","26","3705","3708","10.1039/c7cc00539c","","","0.71073","MoKα","","0.1519","0.0997","","","0.216","0.2708","","","","","","0.962","","","","has coordinates","194903","2020-10-21","18:00:00",""
"7119903","16.1232","0.0001","17.3948","0.0001","24.3737","0.0002","90","","90","","90","","6835.84","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C65.89 H106.71 Dy Li N4 O6.94 -","- C65.884 H106.71 Dy Li N4 O6.942 -","- C263.536 H426.84 Dy4 Li4 N16 O27.768 -","4","1","","Long, Jérôme; Shestakov, Boris G.; Liu, Dan; Chibotaru, Liviu F.; Guari, Yannick; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Larionova, Joulia","An organolanthanide(iii) single-molecule magnet with an axial crystal-field: influence of the Raman process over the slow relaxation.","Chemical communications (Cambridge, England)","2017","53","34","4706","4709","10.1039/c7cc02213a","","","0.71073","MoKα","","0.0463","0.0397","","","0.0967","0.1006","","","","","","1.105","","","","has coordinates,has disorder","196304","2020-10-21","18:00:00",""
"7119929","5.8757","0.001","14.464","0.002","15.887","0.003","90","","90","","90","","1350.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(2-Methoxybenzoyl)methylbenzylamine","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0435","0.0371","","","0.0852","0.0893","","","","","","1.06","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119930","9.4943","0.0002","16.1705","0.0004","18.3454","0.0005","90","","90","","90","","2816.52","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 F3 I N2 O2 -","- C31 H28 F3 I N2 O2 -","- C124 H112 F12 I4 N8 O8 -","4","1","","Tinsley, Ian C.; Spaniol, Jacqueline M.; Wheeler, Kraig A.","Mapping the structural boundaries of quasiracemate fractional crystallization using 2-substituted diarylamides.","Chemical communications (Cambridge, England)","2017","53","33","4601","4604","10.1039/c7cc01638g","","","1.54178","CuKα","","0.0328","0.0277","","","0.0582","0.0612","","","","","","1.004","","","","has coordinates","196272","2020-10-21","18:00:00",""
"7119938","5.1466","0.0002","22.4076","0.0009","25.6853","0.0018","90","","90","","90","","2962.1","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 F2 N6 O6 -","- C29 H34 F2 N6 O6 -","- C116 H136 F8 N24 O24 -","4","1","","Mamone, M.; Gonçalves, R S B; Blanchard, F.; Bernadat, G.; Ongeri, S.; Milcent, T.; Crousse, B.","N-Difluoromethyl-triazole as a constrained scaffold in peptidomimetics.","Chemical communications (Cambridge, England)","2017","53","36","5024","5027","10.1039/c7cc01298e","","","1.54178","CuKα","","0.1229","0.0485","","","0.0959","0.1397","","","","","","0.988","","","","has coordinates","196290","2020-10-21","18:00:00",""
"7119963","7.683","0.005","10.196","0.005","19.34","0.005","90","","90","","90","","1515","1.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Rout, Subhrajit; Das, Arko; Singh, Vinod K.","An asymmetric vinylogous Mukaiyama-Michael reaction of α,β-unsaturated 2-acyl imidazoles catalyzed by chiral Sc(iii)- or Er(iii)-pybox complexes.","Chemical communications (Cambridge, England)","2017","53","37","5143","5146","10.1039/c7cc01763d","","","0.71069","MoKα","","0.0671","0.0635","","","0.1796","0.1839","","","","","","1.03","","","","has coordinates","196263","2020-10-21","18:00:00",""
"7119964","10.8555","0.0004","12.1442","0.0005","12.5528","0.0005","90","","90","","90","","1654.85","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl N2 O3 -","- C18 H17 Cl N2 O3 -","- C72 H68 Cl4 N8 O12 -","4","1","","Rout, Subhrajit; Das, Arko; Singh, Vinod K.","An asymmetric vinylogous Mukaiyama-Michael reaction of α,β-unsaturated 2-acyl imidazoles catalyzed by chiral Sc(iii)- or Er(iii)-pybox complexes.","Chemical communications (Cambridge, England)","2017","53","37","5143","5146","10.1039/c7cc01763d","","","0.71073","MoKα","","0.0415","0.0349","","","0.0765","0.0789","","","","","","1.053","","","","has coordinates","196263","2020-10-21","18:00:00",""
"7119995","8.43","0.005","14.204","0.005","14.905","0.005","90","0","90","0","90","0","1784.7","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-3-(benzofuran-2-yl)-3-((S)-1-(2,4-dichlorophenyl)allyl)dihydrofuran-2(3H)-one","","- C21 H16 Cl2 O3 -","- C21 H16 Cl2 O3 -","- C84 H64 Cl8 O12 -","4","1","","Bos, Maxence; Riguet, Emmanuel","Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.","Chemical communications (Cambridge, England)","2017","53","36","4997","5000","10.1039/c7cc01529a","","","1.54178","CuKα","","0.0246","0.0237","","","0.0562","0.0566","","","","","","1.066","","","","has coordinates","196289","2020-10-21","18:00:00",""
"7119996","8.298","0.0002","10.5377","0.0003","21.5903","0.0006","90","","90","","90","","1887.9","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","22","","- C21 H20 Cl2 O3 -","- C21 H20 Cl2 O3 -","- C84 H80 Cl8 O12 -","4","1","","Bos, Maxence; Riguet, Emmanuel","Iridium-catalysed asymmetric allylic alkylation of benzofuran γ-lactones followed by heteroaromatic Cope rearrangement: study of an unusual reaction sequence.","Chemical communications (Cambridge, England)","2017","53","36","4997","5000","10.1039/c7cc01529a","","","1.54178","CuKα","","0.0209","0.0204","","","0.0529","0.0533","","","","","","1.065","","","","has coordinates","196289","2020-10-21","18:00:00",""
"7120055","9.859","0.003","13.57","0.005","17.593","0.006","90","","90","","90","","2353.7","1.4","296","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O4 S2 -","- C24 H32 O4 S2 -","- C96 H128 O16 S8 -","4","1","","Cheng, Chunru; Liu, Yi; Liang, Ren-Ming; Ma, Qing-Ping; Xu, Kai; Liang, Xin-Yong; Huang, Wei; Sutton, Robert; Ding, Jie; ONeill, P M","Synthesis of Thioether Andrographolide Derivatives and Their Inhibitory Effect Against Cancer Cells","Med. Chem. Commun.","2017","","","","","10.1039/C7MD00169J","","","0.71073","MoKα","","0.1011","0.0575","","","0.1611","0.1915","","","","","","1.009","","","","has coordinates,has disorder","195864","2020-10-21","18:00:00",""
"7120063","9.1322","0.0005","13.2783","0.0008","29.9295","0.0017","90","","90","","90","","3629.3","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H42 Br N O7 S -","- C35 H42 Br N O7 S -","- C140 H168 Br4 N4 O28 S4 -","4","1","","Zhang, Junliang; Wu, Xingxing; Zhou, Wei; Wu, Hai-Hong","Enantioselective [3+2] Cycloaddition of Azomethine Ylides and Aldehydes via Ni/Bis(oxazoline)-Catalyzed Ring Opening of N-Tosylaziridines through Chirality Transfer Approach","Chem. Commun.","2017","","","","","10.1039/C7CC02906C","","","0.71073","MoKα","","0.0745","0.0446","","","0.0959","0.1088","","","","","","1.015","","","","has coordinates","195944","2020-10-21","18:00:00",""
"7120067","10.11","0.005","11.948","0.005","29.299","0.014","90","","90","","90","","3539","3","223","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-4,6-Bis(1-(pyren-1-ylamino)propyl)dibenzo[b,d]furan","","- C50 H38 N2 O -","- C50 H38 N2 O -","- C200 H152 N8 O4 -","4","1","","Ito, Suguru; Ikeda, Kengo; Nakanishi, Shoma; Imai, Yoshitane; Asami, Masatoshi","Concentration-dependent circularly polarized luminescence (CPL) of chiral N,N’-dipyrenyldiamines: sign-inverted CPL switching between the monomer and excimer region under retention of the monomer emission for the photoluminescence","Chem. Commun.","2017","","","","","10.1039/C7CC01351E","","","0.71075","MoKα","","0.1303","0.0834","","","0.142","0.1639","","","","","","1.114","","","","has coordinates","195947","2020-10-21","18:00:00",""
"7120068","10.136","0.003","11.918","0.004","29.359","0.008","90","","90","","90","","3546.6","1.9","223","","223","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S)-4,6-Bis(1-(pyren-1-ylamino)propyl)dibenzo[b,d]furan","","- C50 H38 N2 O -","- C50 H38 N2 O -","- C200 H152 N8 O4 -","4","1","","Ito, Suguru; Ikeda, Kengo; Nakanishi, Shoma; Imai, Yoshitane; Asami, Masatoshi","Concentration-dependent circularly polarized luminescence (CPL) of chiral N,N’-dipyrenyldiamines: sign-inverted CPL switching between the monomer and excimer region under retention of the monomer emission for the photoluminescence","Chem. Commun.","2017","","","","","10.1039/C7CC01351E","","","0.71075","MoKα","","0.1874","0.1004","","","0.1714","0.2128","","","","","","1.064","","","","has coordinates","195947","2020-10-21","18:00:00",""
"7120076","10.426","0.001","13.8793","0.0012","27.409","0.002","90","","90","","90","","3966.2","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H36 B2 N2 P2 -","- C14 H36 B2 N2 P2 -","- C112 H288 B16 N16 P16 -","8","2","","Prades, Amparo; Núñez-Pertíñez, Samuel; Riera, Antoni; Verdaguer, Xavier","P-Stereogenic bisphosphines with a hydrazine backbone: from N-N atropoisomerism to double nitrogen inversion.","Chemical communications (Cambridge, England)","2017","53","33","4605","4608","10.1039/c7cc01944k","","","0.71073","MoKα","","0.0441","0.0376","","","0.1032","0.1112","","","","","","0.81","","","","has coordinates,has disorder","196213","2020-10-21","18:00:00",""
"7120084","9.93003","0.00015","10.15945","0.00019","35.2869","0.0006","90","","90","","90","","3559.87","0.1","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 N3 Ni O4 -","- C38 H53 N3 Ni O4 -","- C152 H212 N12 Ni4 O16 -","4","1","","Wenz, Jan; Wadepohl, Hubert; Gade, Lutz H.","Regioselective hydrosilylation of epoxides catalysed by nickel(ii) hydrido complexes.","Chemical communications (Cambridge, England)","2017","53","31","4308","4311","10.1039/c7cc01655g","","x-ray","1.54184","CuKα","","0.0451","0.0391","","","0.081","0.0836","","","","","","1.056","","","","has coordinates","196216","2020-10-21","18:00:00",""
"7120094","5.18168","0.00013","17.7177","0.0004","18.7318","0.0004","90","","90","","90","","1719.72","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Wang, Cheng-Yong; Pan, Gao-Hui; Chen, Fan; Li, Jin-Heng","Oxidative cyclization of 2-allenyl-1,1'-biphenyls with α-carbonyl alkyl bromides: facile access to functionalized phenanthrenes.","Chemical communications (Cambridge, England)","2017","53","34","4730","4733","10.1039/c7cc00483d","","","1.54184","CuKα","","0.0574","0.0513","","","0.1423","0.149","","","","","","1.066","","","","has coordinates","196221","2020-10-21","18:00:00",""
"7120129","12.895","0.003","14.868","0.004","17.717","0.004","90","","90","","90","","3396.8","1.4","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[IPrH][Pd(cin)Cl2]","","- C36 H46 Cl2 N2 Pd -","- C36 H46 Cl2 N2 Pd -","- C144 H184 Cl8 N8 Pd4 -","4","1","","Nolan, Steven P.; Nahra, Fady; zinser, caroline; brill, marcel; Cazin, Catherine S. J.; Slawin, Alexandra; Cordes, David Bradford; Meadows, Rebecca E.","A Simple Synthetic Entryway into Palladium Cross-Coupling Catalysis","Chem. Commun.","2017","","","","","10.1039/C7CC02487H","","","0.71075","MoKα","","0.0631","0.0452","","","0.1014","0.1093","","","","","","1.023","","","","has coordinates","196708","2020-10-21","18:00:00",""
"7120145","7.265","0.0003","8.277","0.0005","24.8418","0.0014","90","","90","","90","","1493.8","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Li, Huihuang; Zhao, Yanwei; Ma, Liang; Ma, Meihua; Jiang, Jun; Wan, Xiaobing","Radical-carbene coupling reaction: Mn-catalyzed synthesis of indoles from aromatic amines and diazo compounds.","Chemical communications (Cambridge, England)","2017","","","","","10.1039/c7cc02440a","","","0.71073","MoKα","","0.0516","0.0398","","","0.087","0.0925","","","","","","1.048","","","","has coordinates","196773","2020-10-21","18:00:00",""
"7120155","10.4627","0.0004","6.3804","0.0002","14.6616","0.0005","90","","90","","90","","978.75","0.06","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H18 N2 O5 S -","- C4 H18 N2 O5 S -","- C16 H72 N8 O20 S4 -","4","1","","Liu, Sijie; sun, zhihua; Ji, Chengmin; li, lina; Zhao, Sangen; Luo, Junhua","Exceptional bi-step switching of quadratic nonlinear optical properties in a one-dimensional channel compound","Chem. Commun.","2017","","","","","10.1039/C7CC02625K","","","1.54184","CuKα","","0.0371","0.0331","","","0.075","0.0793","","","","","","1.079","","","","has coordinates","196802","2020-10-21","18:00:00",""
"7120164","3.748","0.008","12.14","0.03","26.33","0.06","90","","90","","90","","1198","5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N2 O5 -","- C12 H10 N2 O5 -","- C48 H40 N8 O20 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Hand-Twisted Helical Crystal Based Solely on Hydrogen Bonding","Chem. Commun.","2017","","","","","10.1039/C7CC02970E","","","0.71073","MoKα","","0.1218","0.0985","","","0.2656","0.2934","","","","","","1.166","","","","has coordinates","196809","2020-10-21","18:00:00",""
"7120165","7.228","0.002","7.888","0.003","20.958","0.007","90","","90","","90","","1194.9","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N O5 -","- C13 H9 N O5 -","- C52 H36 N4 O20 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Hand-Twisted Helical Crystal Based Solely on Hydrogen Bonding","Chem. Commun.","2017","","","","","10.1039/C7CC02970E","","","0.71073","MoKα","","0.0918","0.0608","","","0.1149","0.1333","","","","","","1.056","","","","has coordinates","196809","2020-10-21","18:00:00",""
"7120167","10.3148","0.0018","14.552","0.003","23.285","0.004","90","","90","","90","","3495.1","1.1","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Br2 O6 -","- C40 H32 Br2 O6 -","- C160 H128 Br8 O24 -","4","1","","He, Dong-Qiang; Lu, Hai-Yan; Li, Meng; Chen, Chuan-Feng","Intense blue circularly polarized luminescence from helical aromatic esters","Chem. Commun.","2017","","","","","10.1039/C7CC01882G","","","0.71073","MoKα","","0.0699","0.0634","","","0.1573","0.1624","","","","","","1.07","","","","has coordinates","196885","2020-10-21","18:00:00",""
"7120211","9.5909","0.0018","12.641","0.003","13.035","0.003","90","","90","","90","","1580.3","0.6","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O4 S -","- C17 H17 N O4 S -","- C68 H68 N4 O16 S4 -","4","1","","Kishi, Kenta; Arteaga, Fernando Arteaga; Takizawa, Shinobu; Sasai, Hiroaki","Multifunctional Catalysis: Stereoselective Construction of α-Methylidene-γ-Lactams via Amidation/Rauhut‒Currier Sequence","Chem. Commun.","2017","","","","","10.1039/C7CC02839C","","","0.71075","MoKα","","","0.0388","","","","0.1174","","","","","","1.002","","","","has coordinates","197113","2020-10-21","18:00:00",""
"7120216","7.9966","0.0004","10.5907","0.0006","11.7348","0.0006","90","","90","","90","","993.82","0.09","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O S -","- C11 H12 O S -","- C44 H48 O4 S4 -","4","1","","Xiong, Donglu; Zhou, Wenxi; Lu, Zhiwu; Zeng, Suping; Wang, Jun","A Highly Enantioselective Access to Chiral Chromanones and Thiochromanones by Copper-Catalyzed Asymmetric Conjugated Reduction of Chromones and Thiochromones","Chem. Commun.","2017","","","","","10.1039/C7CC03939E","","","0.71073","MoKα","","0.0509","0.0377","","","0.1172","0.128","","","","","","0.956","","","","has coordinates","197116","2020-10-21","18:00:00",""
"7120223","9.4858","0.0018","11.987","0.002","15.459","0.003","90","","90","","90","","1757.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Cl N2 Si -","- C16 H27 Cl N2 Si -","- C64 H108 Cl4 N8 Si4 -","4","1","","Swamy, V.S.V.S.N.; Bisai, Milan Kumar; Das, Tamal; Sen, Sakya Singha","Metal free mild and selective aldehyde cyanosilylation by a neutral penta-coordinate silicon compound","Chem. Commun.","2017","","","","","10.1039/C7CC03948D","","","0.71073","MoKα","","0.0703","0.0646","","","0.184","0.1896","","","","","","1.151","","","","has coordinates","197182","2020-10-21","18:00:00",""
"7120224","9.527","0.003","12.162","0.004","15.346","0.005","90","","90","","90","","1778.1","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N3 Si -","- C17 H27 N3 Si -","- C68 H108 N12 Si4 -","4","1","","Swamy, V.S.V.S.N.; Bisai, Milan Kumar; Das, Tamal; Sen, Sakya Singha","Metal free mild and selective aldehyde cyanosilylation by a neutral penta-coordinate silicon compound","Chem. Commun.","2017","","","","","10.1039/C7CC03948D","","","0.71073","MoKα","","0.1731","0.0668","","","0.1147","0.1514","","","","","","1.009","","","","has coordinates","197182","2020-10-21","18:00:00",""
"7120227","6.15832","0.00019","17.7083","0.0006","21.1704","0.0006","90","","90","","90","","2308.7","0.12","293.1","0.1","293.1","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C124 H100 N4 O12 -","4","1","","Li, Jun-Long; Fu, Lu; Wu, Jiao; Yang, Kai-Chuan; Li, Qing-Zhu; Gou, Xiaojun; Peng, Cheng; Han, Bo; Shen, Xu-Dong","Highly Enantioselective Synthesis of Fused Bicyclic Dihydropyranones via Low-loading N-Heterocyclic Carbene Organocatalysis","Chem. Commun.","2017","","","","","10.1039/C7CC02921G","","x-ray","1.54184","CuKα","","0.0497","0.0476","","","0.1249","0.1276","","","","","","1.023","","","","has coordinates","197541","2020-10-21","18:00:00",""
"7120249","7.799","0.002","13.378","0.004","19.206","0.005","90","","90","","90","","2003.9","0.9","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 B F2 N2 -","- C22 H25 B F2 N2 -","- C88 H100 B4 F8 N8 -","4","1","","Tsuchiya, Mizuho; Sakamoto, Ryota; Shimada, Masaki; Yamanoi, Yoshinori; Hattori, Yohei; Sugimoto, Kunihisa; Nishibori, Eiji; Nishihara, Hiroshi","β-IminoBODIPY oligomers: Facilely accessible π-conjugated luminescent BODIPY arrays","Chem. Commun.","2017","","","","","10.1039/C7CC03279J","","","0.7107","MoKα","","","0.0331","","","","0.0918","","","","","","1.05","","","","has coordinates","197669","2020-10-21","18:00:00",""
"7120272","11.9905","0.0008","16.4042","0.0011","37.7","0.003","90","","90","","90","","7415.4","0.9","100","2","99.91","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H87 N O43 -","- C56 H87 N O43 -","- C224 H348 N4 O172 -","4","1","","Hartlieb, Karel J.; Peters, Aaron William; Wang, Timothy C.; Deria, Pravas; Farha, Omar; Hupp, J. T.; Stoddart, J. Fraser","Functionalised cyclodextrin-based metal-organic frameworks","Chem. Commun.","2017","","","","","10.1039/C7CC03345A","","","1.54178","CuKα","","0.0898","0.082","","","0.2317","0.2397","","","","","","1.057","","","","has coordinates","197786","2020-10-21","18:00:00",""
"7120288","10.353","0.005","19.678","0.005","29.79","0.005","90","0.005","90","0.005","90","0.005","6069","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37.5 H37.5 Na7.5 O37.5 -","- C42 H55 Na2 O37.5 -","- C168 H220 Na8 O150 -","4","1","","Lan, Ya-Qian; Liu, Jiang; Bao, Tian-Yi; Yang, Xi-Ya; Zhu, Pei-Pei; Wu, Lianhe; Sha, JingQuan; Zhang, Lei; Dong, Long-Zhang; Cao, Xue-Li","Controllable Porosity Conversion of Metal-Organic Frameworks Composed of Natural Ingredients for Drug Delivery","Chem. Commun.","2017","","","","","10.1039/C7CC03673F","","","0.71069","MoKα","","0.1153","0.0961","","","0.2667","0.287","","","","","","1.061","","","","has coordinates","197945","2020-10-21","18:00:00",""
"7120298","12.9303","0.0004","19.1287","0.0006","26.3957","0.0012","90","","90","","90","","6528.7","0.4","173","2","173.05","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","[Fe(depe)2N2(SiMe3)][BArF4]","","- C55 H69 B F24 Fe N2 P4 Si -","- C55 H69 B F23.805 Fe N2 P4 Si -","- C220 H276 B4 F95.22 Fe4 N8 P16 Si4 -","4","1","","Piascik, Adam D.; Hill, Peter J.; Crawford, Andrew D.; Doyle, Laurence R.; Green, Jennifer; Ashley, Andrew Edward","Cationic silyldiazenido complexes of the Fe(diphosphine)2(N2) platform: structural and electronic models for an elusive first intermediate in N2 fixation","Chem. Commun.","2017","","","","","10.1039/C7CC04188H","","x-ray","0.71073","MoKα","","0.0789","0.0589","","","0.1471","0.1666","","","","","","1.049","","","","has coordinates,has disorder","197949","2020-10-21","18:00:00",""
"7120313","10.21904","0.00012","11.88874","0.00013","24.5399","0.0003","90","","90","","90","","2981.39","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","di-tert-butyl (3R,3'R,5'R)-2-oxo-2',3'-diphenylspiro[indoline-3,4'-isoxazolidine]-1,5'-dicarboxylate","","- C32 H34 N2 O6 -","- C32 H34 N2 O6 -","- C128 H136 N8 O24 -","4","1","","Zhang, Dong; Yin, Chengkai; Zhou, Yuhang; Xu, Yali; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N’-Dioxide/Co(II)-Promoted Asymmetric 1,3-Dipolar Cycloaddition of Nitrones with Methyleneindolinones","Chem. Commun.","2017","","","","","10.1039/C7CC03575F","","x-ray","1.54184","CuKα","","0.0514","0.049","","","0.1309","0.1343","","","","","","1.046","","","","has coordinates","198054","2020-10-21","18:00:00",""
"7120327","6.4775","0.0013","7.7267","0.0015","35.195","0.007","90","","90","","90","","1761.5","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1.HOAc","","- C19 H21 N3 O3 -","- C19 H21 N3 O3 -","- C76 H84 N12 O12 -","4","1","","Zhang, Hongyu; Liu, Huapeng; Cheng, Xiao; Zhang, houyu; Wang, Yue; Yamaguchi, Shigehiro","ESIPT-Active Organic Compounds with White Luminescence Based on Crystallization-Induced Keto Emission (CIKE)","Chem. Commun.","2017","","","","","10.1039/C7CC03758A","","","0.71073","MoKα","","0.1037","0.0634","","","0.2972","0.4256","","","","","","0.457","","","","has coordinates","198101","2020-10-21","18:00:00",""
"7120336","7.67257","0.00005","13.30378","0.00006","15.10494","0.00007","90","","90","","90","","1541.82","0.014","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Cornexistin","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Williams, Katherine; Szwalbe, Agnieszka; Dickson, Claire Louise; Desson, Tim; Mulholland, Nicholas P.; Vincent, Jason L.; Clough, John; Bailey, Andrew M.; Butts, Craig Philip; Willis, Christine L.; Simpson, Thomas J.; Cox, Russell","Genetic and Chemical Characterisation of the Cornexistin Pathway Provides Further Insight into Maleidride Biosynthesis","Chem. Commun.","2017","","","","","10.1039/C7CC03303F","","","1.54184","CuKα","","0.0228","0.0226","","0.0553","0.0551","0.0553","","","","","","0.9905","","","","has coordinates","198125","2020-10-21","18:00:00",""
"7120338","10.1899","0.0004","13.3377","0.0005","14.494","0.0007","90","","90","","90","","1969.88","0.14","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Satpathi, Bishnupada; Wagulde , Siddhant V.; Ramasastry, S. S. V.","Enantioselective organocatalytic intramolecular Morita-Baylis-Hillman (IMBH) reaction of dienones, and elaboration of the IMBH adducts to fluorenones","Chem. Commun.","2017","","","","","10.1039/C7CC02524F","","","0.71073","MoKα","","0.1099","0.0593","","","0.1576","0.1979","","","","","","1.0529","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7120349","7.2799","0.0007","11.4069","0.0011","16.0415","0.0016","90","","90","","90","","1332.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 O2 -","- C14 H26 O2 -","- C56 H104 O8 -","4","1","","López-Pérez, Borja; Maestro, Miguel A.; Mouriño, Antonio","Total Synthesis of 1α,25-Dihydroxyvitamin D3 (Calcitriol) Through a Si-Assisted Allylic Substitution","Chem. Commun.","2017","","","","","10.1039/C7CC04690A","","","0.71073","MoKα","","0.0643","0.051","","","0.1403","0.1487","","","","","","1.053","","","","has coordinates","198220","2020-10-21","18:00:00",""
"7120350","7.4726","0.0004","13.7659","0.0008","15.3749","0.0009","90","","90","","90","","1581.57","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 S -","- C17 H22 O4 S -","- C68 H88 O16 S4 -","4","1","","López-Pérez, Borja; Maestro, Miguel A.; Mouriño, Antonio","Total Synthesis of 1α,25-Dihydroxyvitamin D3 (Calcitriol) Through a Si-Assisted Allylic Substitution","Chem. Commun.","2017","","","","","10.1039/C7CC04690A","","","0.71073","MoKα","","0.0274","0.025","","","0.0674","0.0688","","","","","","1.012","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7120375","6.1639","0.0018","7.449","0.003","21.411","0.006","90","","90","","90","","983.1","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","","Yang, Zhao-Ying; Tian, Tian; Du, Ya-Fei; Li, Shi-Yi; Chu, Cen-Cen; Chen, Lu-Ying; Li, Dan; Liu, Jia-Yi; Wang, Bin","Direct intramolecular amination of tryptophan esters to prepare pyrrolo[2,3-b]indoles","Chem. Commun.","2017","","","","","10.1039/C7CC03983B","","","0.71073","MoKα","","0.0402","0.0385","","","0.0977","0.0992","","","","","","1.082","","","","has coordinates","198350","2020-10-21","18:00:00",""
"7120427","7.6136","0.0016","13.69","0.003","24.789","0.005","90","","90","","90","","2583.8","0.9","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H21 N3 O6 -","- C33 H21 N3 O6 -","- C132 H84 N12 O24 -","4","1","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0575","0.0492","","","0.1337","0.1534","","","","","","1.213","","","","has coordinates","198655","2020-10-21","18:00:00",""
"7120433","19.8152","0.0006","22.7474","0.0007","25.646","0.0008","90","","90","","90","","11559.8","0.6","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H34 N4 O9 -","- C47 H34 N4 O9 -","- C564 H408 N48 O108 -","12","3","","Mamada, Masashi; Minami, Tsuyoshi; Katagiri, Hiroshi; Omiya, Takafumi; Tokito, Shizuo","One-step, green synthesis of a supramolecular organogelator based on mellitic triimide for the recognition of aromatic compounds","Chem. Commun.","2017","","","","","10.1039/C7CC04876A","","","0.71075","MoKα","","0.0591","0.0484","","","0.1","0.1058","","","","","","1.115","","","","has coordinates","198655","2020-10-21","18:00:00",""
"7120443","9.439","0.005","10.181","0.005","13.024","0.007","90","","90","","90","","1251.6","1.1","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 Cl2 N3 -","- C9 H17 Cl2 N3 -","- C36 H68 Cl8 N12 -","4","1","","Rovira, Mireia; Jašíková, Lucie; Andris, Erik; Acuña-Pares, Ferran; Soler, Marta; Güell, Imma; Wang, Ming-Zheng; Gomez, Laura; Luis, Josep M.; Roithova, Jana; Ribas, Xavi","CuI/CuIII prototypical organometallic mechanism for the deactivation of an active pincer-like CuI catalyst in Ullmann-type couplings","Chem. Commun.","2017","","","","","10.1039/C7CC04491G","","","0.71073","MoKα","","0.0509","0.0381","","","0.0836","0.0903","","","","","","1.068","","","","has coordinates","198702","2020-10-21","18:00:00",""
"7120454","6.828","0.0003","11.7422","0.0005","23.4879","0.001","90","","90","","90","","1883.16","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N O5 -","- C20 H18 Br N O5 -","- C80 H72 Br4 N4 O20 -","4","1","","Wang, Zhe-Hao; Zhang, Huan-Huan; Wang, Dao-Ming; Xu, Peng-Fei; Luo, Yong-Chun","Lewis acid catalyzed diastereoselective [3+4]-annulation of donor‒acceptor cyclopropanes with anthranils: synthesis of tetrahydro-1-benzazepine derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC04239F","","","0.71073","MoKα","","0.0845","0.0513","","","0.089","0.1013","","","","","","1.049","","","","has coordinates","198733","2020-10-21","18:00:00",""
"7120470","7.3037","0.0003","13.0339","0.0005","17.4036","0.0006","90","","90","","90","","1656.75","0.11","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Brandt, Jochen; Pospisil, Lubomir; Bednárová, Lucie; Correa da Costa, Rosenildo; White, Andrew J. P.; Mori, Tadashi; Teply, Filip; Fuchter, Matthew","Intense Redox-Driven Chiroptical Switching with a 580 mV Hysteresis Actuated Through Reversible Dimerization of an Azoniahelicene","Chem. Commun.","2017","","","","","10.1039/C7CC04903J","","","0.71073","MoKα","","0.0665","0.0483","","","0.1091","0.1231","","","","","","1.02","","","","has coordinates,has disorder","198769","2020-10-21","18:00:00",""
"7120478","10.465","0.0011","10.678","0.001","16.0955","0.0017","90","","90","","90","","1798.6","0.3","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl N O2 S -","- C19 H20 Cl N O2 S -","- C76 H80 Cl4 N4 O8 S4 -","4","1","","Hatanaka, Yasuo; Nantaku, Shuuto; Nishimura, Yuhki; Otsuka, Tomoyuki; Sekikawa, Tohru","Catalytic Enantioselective Aza-Diels-Alder Reactions of Unactivated Acyclic 1,3-Dienes with Aryl-, Alkenyl-, and Alkyl-Substituted Imines","Chem. Commun.","2017","","","","","10.1039/C7CC03010J","","","0.7107","MoKα","","0.0368","0.0348","","","0.0885","0.0906","","","","","","1.082","","","","has coordinates","198812","2020-10-21","18:00:00",""
"7120497","21.1835","0.0003","21.2582","0.0003","27.7753","0.0004","90","","90","","90","","12507.9","0.3","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H44 N2 Pt S2 -","- C36 H22 N2 Pt S2 -","- C576 H352 N32 Pt16 S32 -","16","4","","Biet, Thomas; Cauchy, Thomas; Sun, Qinchao; Ding, Jie; Hauser, Andreas; Oulevey, Patric; Bürgi, Thomas; Jacquemin, Denis; Vanthuyne, Nicolas; Crassous, Jeanne; Avarvari, Narcis","Triplet state CPL active helicene-dithiolene platinum bipyridine complexes","Chem. Commun.","2017","","","","","10.1039/C7CC05198K","","x-ray","1.54184","CuKα","","0.0481","0.0386","","","0.0924","0.1017","","","","","","1.051","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7120525","10.2091","0.0012","11.2996","0.0005","16.684","0.0004","90","","90","","90","","1924.6","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Cl N4 Ni -","- C20 H25 Cl N4 Ni -","- C80 H100 Cl4 N16 Ni4 -","4","1","","Cope, James D.; Liyanage, Nalaka P.; Kelley, Paul J.; Denny, Jason A.; Valente, Edward J.; Webster, Charles Edwin; Delcamp, Jared H.; Hollis, T. Keith","Electrocatalytic reduction of CO2 with CCC-NHC pincer nickel complexes","Chem. Commun.","2017","","","","","10.1039/C6CC06537F","","x-ray","0.71073","MoKα","","0.0449","0.031","","","0.0686","0.071","","","","","","0.908","","","","has coordinates,has disorder","199686","2020-10-21","18:00:00",""
"7120527","9.8944","0.0011","11.3015","0.0013","16.6259","0.0019","90","","90","","90","","1859.1","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 Cl N4 Ni -","- C20 H25 Cl N4 Ni -","- C80 H100 Cl4 N16 Ni4 -","4","1","","Cope, James D.; Liyanage, Nalaka P.; Kelley, Paul J.; Denny, Jason A.; Valente, Edward J.; Webster, Charles Edwin; Delcamp, Jared H.; Hollis, T. Keith","Electrocatalytic reduction of CO2 with CCC-NHC pincer nickel complexes","Chem. Commun.","2017","","","","","10.1039/C6CC06537F","","","0.71073","MoKα","","0.0382","0.0307","","","0.0608","0.0628","","","","","","1.064","","","","has coordinates,has disorder","199686","2020-10-21","18:00:00",""
"7120539","10.152","0.003","10.449","0.003","30.517","0.009","90","","90","","90","","3237.2","1.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 F3 N3 O Si3 -","- C29 H46 F3 N3 O Si3 -","- C116 H184 F12 N12 O4 Si12 -","4","1","","Swamy, V.S.V.S.N.; Parvin, Nasrina; Vipin Raj, K.; Vanka, Kumar; Sen, Sakya Singha","C(sp3)‒F, C(sp2)‒F and C(sp3)‒H bond activation at silicon(II) center","Chem. Commun.","2017","","","","","10.1039/C7CC05145J","","","0.71073","MoKα","","0.092","0.0753","","","0.1705","0.1784","","","","","","1.166","","","","has coordinates","199710","2020-10-21","18:00:00",""
"7120574","9.0717","0.0002","12.8155","0.0002","23.4747","0.0005","90","","90","","90","","2729.13","0.09","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O6 S -","- C30 H28 N2 O6 S -","- C120 H112 N8 O24 S4 -","4","1","","Mei, Guang-Jian; Li, Dan; Zhou, Gui-Xiang; Shi, Qian; Cao, Zheng; Shi, Feng","Catalytic Asymmetric Construction of Tetrahydroquinoline-Based Spirooxindole Framework via a Diastereo- and Enantioselective Decarboxylative [4+2] Cycloaddition","Chem. Commun.","2017","","","","","10.1039/C7CC05595A","","","1.54178","CuKα","","0.0443","0.0418","","","0.1098","0.1127","","","","","","1.039","","","","has coordinates","199827","2020-10-21","18:00:00",""
"7120587","7.2175","0.0007","24.471","0.003","28.683","0.003","90","","90","","90","","5066","1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","","","- C42 H31 F6 N3 O5 S2 Zn -","- C42 H31 F6 N3 O5 S2 Zn -","- C168 H124 F24 N12 O20 S8 Zn4 -","4","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.0868","0.0668","","","0.1896","0.2052","","","","","","1.065","","","","has coordinates,has disorder","199912","2020-10-21","18:00:00",""
"7120588","7.166","0.009","24.54","0.03","29.48","0.03","90","","90","","90","","5184","11","297","2","297","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","iDMOF_apohost","","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.1249","0.0519","","","0.1134","0.1365","","","","","","0.786","","","","has coordinates","199912","2020-10-21","18:00:00",""
"7120589","7.5196","0.0006","23.2929","0.0019","29.563","0.002","90","","90","","90","","5178.1","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF1","","","- C42.5 H31.5 F6 N2.5 O4.5 S2 Zn -","- C42.5 H31.5 F6 N2.5 O4.5 S2 Zn -","- C170 H126 F24 N10 O18 S8 Zn4 -","4","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.1103","0.0736","","","0.1947","0.2198","","","","","","1.09","","","","has coordinates,has disorder","199912","2020-10-21","18:00:00",""
"7120592","7.5929","0.001","23.821","0.003","28.799","0.004","90","","90","","90","","5208.9","1.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF1_apohost'","","","- C41 H28 F6 N2 O4 S2 Zn -","- C41 H28 F6 N2 O4 S2 Zn -","- C164 H112 F24 N8 O16 S8 Zn4 -","4","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.1149","0.0593","","","0.095","0.108","","","","","","0.876","","","","has coordinates,has disorder","199912","2020-10-21","18:00:00",""
"7120594","7.6358","0.0001","23.65","0.0002","29.1848","0.0003","90","","90","","90","","5270.39","0.1","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","iDMOF1_apohost","","","- C41 H28 F6 N2 O4 S2 Zn -","- C41 H28 F6 N2 O4 S2 Zn -","- C164 H112 F24 N8 O16 S8 Zn4 -","4","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","1.54178","CuKα","","0.0514","0.0408","","","0.1021","0.1063","","","","","","1.048","","","","has coordinates,has disorder","199912","2020-10-21","18:00:00",""
"7120595","7.106","0.002","24.681","0.007","29.181","0.009","90","","90","","90","","5118","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF_apohost","","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Nikolayenko, Varvara I.; Herbert, Simon; Barbour, Len","Reversible structural switching of a metal-organic framework by photoirradiation","Chem. Commun.","2017","","","","","10.1039/C7CC06074B","","","0.71073","MoKα","","0.088","0.0515","","","0.1124","0.1223","","","","","","0.973","","","","has coordinates","199912","2020-10-21","18:00:00",""
"7120603","6.3718","0.0004","11.6995","0.0007","17.3017","0.001","90","","90","","90","","1289.79","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RMXIII-128B1","sarpong62","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Lindsay, Vincent; Murphy, Rebecca; Sarpong, Richmond","Effect of protic additives in Cu-catalysed asymmetric Diels-Alder cycloadditions of doubly activated dienophiles: towards the synthesis of magellanine-type Lycopodium alkaloids","Chem. Commun.","2017","","","","","10.1039/C7CC06367A","","","1.54178","CuKα","","0.0308","0.0307","","","0.082","0.0821","","","","","","1.114","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7120624","12.927","0.002","21.826","0.003","26.008","0.004","90","","90","","90","","7338","1.9","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H76 O14 Si12 -","- C64 H76 O14 Si12 -","- C256 H304 O56 Si48 -","4","1","","Mituła, K.; Duszczak, J.; Brząkalski, D.; Dudziec, B.; Kubicki, M.; Marciniec, B.","Tetra-functional double-decker silsesquioxanes as anchors for reactive functional groups and potential synthons for hybrid materials","Chem. Commun.","2017","","","","","10.1039/C7CC03958A","","","0.7107","MoKα","","0.0643","0.0468","","","0.0863","0.0928","","","","","","1.033","","","","has coordinates","200258","2020-10-21","18:00:00",""
"7120640","12.7762","0.0014","17.0556","0.0019","18.581","0.002","90","","90","","90","","4048.9","0.8","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H55 Au2 Cl2 N3 O -","- C36 H55 Au2 Cl2 N3 O -","- C144 H220 Au8 Cl8 N12 O4 -","4","1","","Zhang, Jun; Chen, Haifeng; Wang, Jiwei; Hu, Zejun; Xu, Sheng; Shi, Min","Catalytic domino amination and oxidative coupling of gold acetylides and isolation of key vinylene digold intermediates as a new class of ditopic N-heterocyclic carbene complexes","Chem. Commun.","2017","","","","","10.1039/C7CC06069F","","","0.71073","MoKα","","0.0395","0.0264","","","0.0479","0.0514","","","","","","0.998","","","","has coordinates","200806","2020-10-21","18:00:00",""
"7120717","6.72742","0.00006","18.3659","0.0002","51.8482","0.0005","90","","90","","90","","6406.11","0.11","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","E)-1-(2,4-Dinitrophenyl)-2-(((3S,4R)-3-methyl-4-phenyl-6-(4-(trifluoromethyl)phenyl)-3,4-dihydro-2H-thiopyran-3-yl)methylene)hydrazine","","- C27 H23 F3 N4 O4 S -","- C27 H23 F3 N4 O4 S -","- C216 H184 F24 N32 O32 S8 -","8","2","","Hejmanowska, Joanna; Jasiński, Marcin; Wojciechowski, Jakub; Mlostoń, Grzegorz; Albrecht, Lukasz","The first organocatalytic, ortho-regioselective inverse-electron-demand hetero-Diels-Alder reaction","Chem. Commun.","2017","","","","","10.1039/C7CC06518C","","x-ray","1.54184","CuKα","","0.0384","0.0366","","","0.0973","0.0986","","","","","","1.023","","","","has coordinates","201488","2020-10-21","18:00:00",""
"7120718","9.1393","0.0003","11.0094","0.0003","24.6538","0.0007","90","","90","","90","","2480.62","0.13","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Cl F3 N2 O4 -","- C28 H22 Cl F3 N2 O4 -","- C112 H88 Cl4 F12 N8 O16 -","4","1","","Enders, Dieter; Liu, Qiang; Chen, Xiang-Yu; Li, Sun; Jafari, Ehsan; Raabe, Gerhard","N-Heterocyclic carbene-catalyzed [4+2] annulation of β-methyl enals and cyclic trifluoromethyl ketimines for the asymmetric synthesis of dihydroquinazolinone derivatives","Chem. Commun.","2017","","","","","10.1039/C7CC06562K","","","1.54178","CuKα","","0.042","0.04","","0.042","","0.042","","","0.987","","","1.004","","","","has coordinates","201489","2020-10-21","18:00:00",""
"7120727","10.7014","0.0004","17.5374","0.0007","18.6212","0.0008","90","","90","","90","","3494.7","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 B2 Cl Cu O P2 -","- C38 H43 B2 Cl Cu O P2 -","- C152 H172 B8 Cl4 Cu4 O4 P8 -","4","1","","Wang, Sunewang Rixin; Arrowsmith, Merle; Braunschweig, Holger; Dewhurst, Rian David; Paprocki, Valerie; Winner, Lena","CuOTf-mediated intramolecular diborene hydroarylation","Chem. Commun.","2017","","","","","10.1039/C7CC07371B","","","0.71073","MoKα","","0.0335","0.0299","","","0.0713","0.0734","","","","","","0.831","","","","has coordinates","201538","2020-10-21","18:00:00",""
"7120760","10.902","0.0004","17.4447","0.0006","38.6793","0.0014","90","","90","","90","","7356.1","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H75 F12 N6 O14 P2 -","- C68 H75 F12 N6 O14 P2 -","- C272 H300 F48 N24 O56 P8 -","4","1","","Cheng, Ming; Zhang, Jing; Ren, Xintong; Guo, Shuwen; Xiao, Tangxin; Hu, Xiao-Yu; Jiang, Juli; Wang, Leyong","Acid/base-controllable Fluorescent Molecular Switches Based on Cryptands and Basic N-Heteroaromatics","Chem. Commun.","2017","","","","","10.1039/C7CC07469G","","","0.71073","MoKα","","0.0868","0.0754","","","0.2337","0.2504","","","","","","1.106","","","","has coordinates,has disorder","201933","2020-10-21","18:00:00",""
"7120764","15.7481","0.0002","31.2188","0.0005","33.7366","0.0004","90","","90","","90","","16586.2","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C118.5 H194.5 Cl11.5 N4 O56 Pd2 -","- C118.5 H194.5 Cl11.5 N4 O56 Pd2 -","- C474 H778 Cl46 N16 O224 Pd8 -","4","1","","Sechet, D.; Kaya, Z.; Phan, T.-A.; Jouffroy, M.; Bentouhami, E.; Armspach, D.; Matt, D.; Toupet, L.","Aza-capped cyclodextrins for intra-cavity metal complexation","Chem. Commun.","2017","","","","","10.1039/C7CC06434A","","x-ray","1.54184","CuKα","","0.1289","0.1236","","","0.3477","0.3546","","","","","","1.531","","","","has coordinates","201958","2020-10-21","18:00:00",""
"7120766","11.5001","0.0001","13.0412","0.0002","15.812","0.0002","90","","90","","90","","2371.41","0.05","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 B Cl F4 Ir N5 -","- C22 H28 B Cl F4 Ir N5 -","- C88 H112 B4 Cl4 F16 Ir4 N20 -","4","1","","Schön, Florian; Leist, Marko; Neuba, Adam; Lang, Johannes; Braun, Carolin; Sun, Yu; Niedner-Schatterburg, Gereon; Braese, Stefan; Thiel, Werner R.","A direct access to heterobimetallic complexes by roll-over cyclometallation","Chem. Commun.","2017","","","","","10.1039/C7CC07119A","","","1.54184","CuKα","","0.0276","0.0274","","","0.07","0.0701","","","","","","1.137","","","","has coordinates","201959","2020-10-21","18:00:00",""
"7120784","7.8608","0.0009","12.3313","0.0014","22.699","0.003","90","","90","","90","","2200.3","0.5","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N4 O7 -","- C23 H24 N4 O7 -","- C92 H96 N16 O28 -","4","1","","Yu, Qihui; Yan, zhicheng; Bao, junjie; Wang, Jian-Rong; Mei, Xuefeng","Taming photo-induced oxidation degradation of dihydropyridine drugs through cocrystallization","Chem. Commun.","2017","","","","","10.1039/C7CC06992H","","","0.71073","MoKα","","0.0518","0.0399","","","0.0962","0.1026","","","","","","1.011","","","","has coordinates","202033","2020-10-21","18:00:00",""
"7120787","12.1149","0.0004","14.9649","0.0005","18.4913","0.0006","90","","90","","90","","3352.44","0.19","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 Cl Fe N P2 -","- C34 H50 Cl Fe N P2 -","- C136 H200 Cl4 Fe4 N4 P8 -","4","1","","Sekiguchi, Yoshiya; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of iron‒dinitrogen complexes bearing anionic methyl- and phenyl-substituted pyrrole-based PNP-type pincer ligands toward catalytic nitrogen fixation","Chem. Commun.","2017","","","","","10.1039/C7CC06987A","","","0.71075","MoKα","","0.0731","0.0538","","","0.1235","0.1366","","","","","","1.031","","","","has coordinates","202035","2020-10-21","18:00:00",""
"7120788","11.3469","0.0015","12.4305","0.0017","23.789","0.003","90","","90","","90","","3355.4","0.8","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H50 Fe N3 P2 -","- C34 H50 Fe N3 P2 -","- C136 H200 Fe4 N12 P8 -","4","1","","Sekiguchi, Yoshiya; Kuriyama, Shogo; Eizawa, Aya; Arashiba, Kazuya; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Synthesis and reactivity of iron‒dinitrogen complexes bearing anionic methyl- and phenyl-substituted pyrrole-based PNP-type pincer ligands toward catalytic nitrogen fixation","Chem. Commun.","2017","","","","","10.1039/C7CC06987A","","","0.71075","MoKα","","0.0867","0.0539","","","0.1119","0.1271","","","","","","1.059","","","","has coordinates","202035","2020-10-21","18:00:00",""
"7120812","6.516","0.0008","14.1444","0.0019","20.123","0.002","90","","90","","90","","1854.6","0.4","103","0.2","103","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N4 -","- C26 H22 N4 -","- C104 H88 N16 -","4","1","","Ono, Toshikazu; Koga, Daiki; Yoza, Kenji; Hisaeda, Yoshio","First synthesis of meso-dicycloalkylporphycenes: ring strain effects on structural and optical properties of isomeric porphyrins","Chem. Commun.","2017","","","","","10.1039/C7CC07170A","","","0.71073","MoKα","","0.0873","0.0608","","","0.118","0.1271","","","","","","1.11","","","","has coordinates","202285","2020-10-21","18:00:00",""
"7120835","12.406","0.0005","14.2364","0.0004","31.2334","0.0017","90","","90","","90","","5516.3","0.4","105.79","0.12","105.79","0.12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C59 H80 N4 O3 P2 -","- C59 H80 N4 O3 P2 -","- C236 H320 N16 O12 P8 -","4","1","","Gilliard, Robert J.; Suter, Riccardo; Schrader, Erik; Benkö, Zoltan; Rheingold, Arnold L.; Grützmacher, Hansjörg; Protasiewicz, John D.","Synthesis of P2C2O2 and P2CO via NHC-Mediated Coupling of the Phosphaethynolate Anion","Chem. Commun.","2017","","","","","10.1039/C7CC07654A","","x-ray","0.71073","MoKα","","0.0961","0.079","","","0.2062","0.2221","","","","","","1.051","","","","has coordinates","202388","2020-10-21","18:00:00",""
"7120839","6.7286","0.0005","15.8258","0.0009","19.843","0.001","90","","90","","90","","2113","0.2","291.17","0.1","291.17","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Br N2 O3 S -","- C22 H21 Br N2 O3 S -","- C88 H84 Br4 N8 O12 S4 -","4","1","","Chen, Jin-Quan; Song, Le-Le; Li, Feng-Xing; Shi, Zi-Fa; Cao, Xiao-Ping","Asymmetric formal synthesis of (+)-cycloclavine","Chem. Commun.","2017","","","","","10.1039/C7CC08044A","","x-ray","0.71073","MoKα","","0.087","0.0465","","","0.0761","0.0912","","","","","","1.012","","","","has coordinates","202435","2020-10-21","18:00:00",""
"7120864","9.7594","0.0011","12.6345","0.0014","17.835","0.002","90","","90","","90","","2199.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 Br N O6 S -","- C21 H24 Br N O6 S -","- C84 H96 Br4 N4 O24 S4 -","4","1","","Zhou, Hui; Zhang, Shixiong; Deng, Ping; Zhou, Jing; Liu, Mouxiong; Liang, Guojuan; Xiong, Yan","A Novel Homobimetallic Nickel Complex for Asymmetric Direct Mannich Reaction of Imines: A Practical Method on a Multi-Gram Scale","Chemical Communications","2017","","","","","10.1039/C7CC06468C","","","0.71073","MoKα","","0.0596","0.0446","","","0.1001","0.1059","","","","","","1.072","","","","has coordinates","203020","2020-10-21","18:00:00",""
"7120943","11.6359","0.0006","11.951","0.0006","23.629","0.0012","90","","90","","90","","3285.9","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","griseofulvin","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C136 H136 Cl8 O48 -","8","2","","Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting","Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.","Chemical communications (Cambridge, England)","2018","54","4","358","361","10.1039/c7cc07744k","","","0.71073","MoKα","","0.0329","0.0311","","","0.0794","0.0804","","","","","","1.047","","","","has coordinates","228185","2020-10-21","18:00:00",""
"7120944","11.5984","0.0005","11.9524","0.0006","23.3284","0.0012","90","","90","","90","","3234","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","griseofulvin","","- C17 H17 Cl N0 O6 -","- C17 H17 Cl O6 -","- C136 H136 Cl8 O48 -","8","2","","Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting","Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.","Chemical communications (Cambridge, England)","2018","54","4","358","361","10.1039/c7cc07744k","","","0.71073","MoKα","","0.0385","0.0361","","","0.0909","0.092","","","","","","1.097","","","","has coordinates","228185","2020-10-21","18:00:00",""
"7120945","11.799","0.008","12.007","0.008","24.359","0.016","90","","90","","90","","3451","4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","griseofulvin","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C136 H136 Cl8 O48 -","8","2","","Su, Yuan; Xu, Jia; Shi, Qin; Yu, Lian; Cai, Ting","Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion.","Chemical communications (Cambridge, England)","2018","54","4","358","361","10.1039/c7cc07744k","","","0.71073","MoKα","","0.096","0.0664","","","0.1733","0.2069","","","","","","1.003","","","","has coordinates","228185","2020-10-21","18:00:00",""
"7120957","12.4251","0.0005","12.4732","0.0004","14.0656","0.0005","90","","90","","90","","2179.9","0.14","290.64","0.1","290.64","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 Br O4 -","- C27 H21 Br O4 -","- C108 H84 Br4 O16 -","4","1","","Zhang, Jianlin; Lin, Lili; He, Changqiang; Xiong, Qian; Liu, Xiaohua; Feng, Xiaoming","A chiral scandium-complex-catalyzed asymmetric inverse-electron-demand oxa-Diels-Alder reaction of o-quinone methides with fulvenes.","Chemical communications (Cambridge, England)","2017","54","1","74","77","10.1039/c7cc08124c","","x-ray","1.54184","CuKα","","0.0748","0.0695","","","0.1835","0.1938","","","","","","1.074","","","","has coordinates","228099","2020-10-21","18:00:00",""
"7120962","7.9135","0.0002","9.874","0.0002","19.0229","0.0005","90","","90","","90","","1486.41","0.06","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","","Zheng, Long-Sheng; Férard, Charlène; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Rhodium-mediated asymmetric transfer hydrogenation: a diastereo- and enantioselective synthesis of syn-α-amido β-hydroxy esters.","Chemical communications (Cambridge, England)","2018","54","3","283","286","10.1039/c7cc08231b","","","0.71073","MoKα","","0.029","0.0276","","","0.0758","0.077","","","","","","1.034","","","","has coordinates","228606","2020-10-21","18:00:00",""
"7120963","9.0313","0.0004","11.8519","0.0004","14.6499","0.0006","90","","90","","90","","1568.1","0.11","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O5 -","- C16 H18 N2 O5 -","- C64 H72 N8 O20 -","4","1","","Zheng, Long-Sheng; Férard, Charlène; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Rhodium-mediated asymmetric transfer hydrogenation: a diastereo- and enantioselective synthesis of syn-α-amido β-hydroxy esters.","Chemical communications (Cambridge, England)","2018","54","3","283","286","10.1039/c7cc08231b","","","1.54178","CuKα","","0.0327","0.0324","","","0.0839","0.0843","","","","","","1.077","","","","has coordinates","228606","2020-10-21","18:00:00",""
"7121022","11.5916","0.0002","14.491","0.0004","14.7866","0.0003","90","","90","","90","","2483.76","0.1","296.31","0.1","296.31","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N3 O3 -","- C28 H25 Cl N2 O3 -","- C112 H100 Cl4 N8 O12 -","4","1","","Chen, Quangang; Xie, Lihua; Li, Zhaojing; Tang, Yu; Zhao, Peng; Lin, Lili; Feng, Xiaoming; Liu, Xiaohua","Copper/guanidine-catalyzed asymmetric alkynylation of isatin-derived ketimines.","Chemical communications (Cambridge, England)","2018","54","6","678","681","10.1039/c7cc08920a","","x-ray","1.54184","CuKα","","0.0461","0.0452","","","0.1181","0.1191","","","","","","1.056","","","","has coordinates","228244","2020-10-21","18:00:00",""
"7121024","8.6585","0.0004","13.8981","0.0006","25.9555","0.0011","90","","90","","90","","3123.4","0.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl3 Ga N2 O2 P -","- C29 H37 Cl3 Ga N2 O2 P -","- C116 H148 Cl12 Ga4 N8 O8 P4 -","4","1","","Liu, Liu Leo; Stephan, Douglas W.","An imine-gallium Lewis pair stabilized oxophosphinidene via an unexpected phosphirene rearrangement.","Chemical communications (Cambridge, England)","2018","54","9","1041","1044","10.1039/c7cc09090k","","","0.71073","MoKα","","0.0575","0.0414","","","0.0883","0.0944","","","","","","1.057","","","","has coordinates","228404","2020-10-21","18:00:00",""
"7121034","10.0132","0.0002","10.02044","0.00019","16.0394","0.0003","90","","90","","90","","1609.34","0.05","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Fe O3 -","- C20 H18 Fe O3 -","- C80 H72 Fe4 O12 -","4","1","","Xu, Jiancong; Liu, Yang; Zhang, Jinling; Xu, Xiaohua; Jin, Zhong","Palladium-catalyzed enantioselective C(sp<sup>2</sup>)-H arylation of ferrocenyl ketones enabled by a chiral transient directing group.","Chemical communications (Cambridge, England)","2018","54","6","689","692","10.1039/c7cc09273c","","","0.71073","MoKα","","0.0272","0.0248","","","0.0625","0.0662","","","","","","1.038","","","","has coordinates","228249","2020-10-21","18:00:00",""
"7121056","18.7533","0.0011","21.7745","0.0011","29.714","0.002","90","","90","","90","","12133.5","1.2","99.98","0.19","99.98","0.19","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H54 Cl2 N8 O8 P2 Pd -","- C52 H54 Cl2 N8 O8 P2 Pd -","- C416 H432 Cl16 N64 O64 P16 Pd8 -","8","2","","Kokan, Zoran; Kovačević, Borislav; Štefanić, Zoran; Tzvetkova, Pavleta; Kirin, Srećko I","Controlling orthogonal self-assembly through cis-trans isomerization of a non-covalent palladium complex dimer.","Chemical communications (Cambridge, England)","2018","54","17","2094","2097","10.1039/c7cc09537f","","x-ray","1.54184","CuKα","","0.1235","0.0866","","","0.2179","0.2464","","","","","","1.023","","","","has coordinates","228218","2020-10-21","18:00:00",""
"7121066","8.6634","0.0002","13.9649","0.0004","19.5079","0.0006","90","","90","","90","","2360.13","0.11","294","","294","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Cl4 F6 Rh -","- C22 H15 Cl4 F6 Rh -","- C88 H60 Cl16 F24 Rh4 -","4","1","","Peñas-Defrutos, M N; Bartolomé, C; García-Melchor, M; Espinet, P.","Hidden aryl-exchange processes in stable 16e Rh<sup>III</sup> [RhCp*Ar<sub>2</sub>] complexes, and their unexpected transmetalation mechanism.","Chemical communications (Cambridge, England)","2018","54","8","984","987","10.1039/c7cc09352g","","x-ray","0.71073","MoKα","","0.042","0.0311","","","0.0588","0.0651","","","","","","1.029","","","","has coordinates","228105","2020-10-21","18:00:00",""
"7121087","8.2494","0.001","13.4963","0.0014","27.994","0.004","90","","90","","90","","3116.8","0.7","293","2","293","2","","","","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","","Unknown","","- C35 H32 N2 O5 S2 -","- C35 H32 N2 O5 S2 -","- C140 H128 N8 O20 S8 -","4","1","","Mukhopadhyay, Soumendranath; Pan, Subhas Chandra","Organocatalytic asymmetric synthesis of 2,4-disubstituted imidazolidines via domino addition-aza-Michael reaction.","Chemical communications (Cambridge, England)","2018","54","8","964","967","10.1039/c7cc08338f","","x-ray","0.71073","MoKα","","0.2377","0.1015","","","0.1361","0.1812","","","","","","1.071","","","","has coordinates","228104","2020-10-21","18:00:00",""
"7121113","6.41","0.0004","12.0057","0.0009","22.2391","0.0015","90","","90","","90","","1711.4","0.2","170","","170","","","","","","","","N/A","4","P 21 21 21","P 2ac 2ab","19","YQZ-132-A","(3S,4a'R,5a'S)-6-methoxy-1'-methyl-4',4a',5',5a',7',8'-hexahydro-3'H,10'H-spiro[indoline-3,6'-pyrano[3,4-f]indolizine]-2,10'-dione","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","","Yu, Qingzhen; Guo, Pan; Jian, Jie; Chen, Yuye; Xu, Jing","Nine-step total synthesis of (-)-strychnofoline.","Chemical communications (Cambridge, England)","2018","54","9","1125","1128","10.1039/c7cc08938d","","","1.54178","CuKα","","0.0313","0.0311","","","0.0817","0.0819","","","","","","1.089","","","","has coordinates","228403","2020-10-21","18:00:00",""
"7121114","7.7601","0.0003","11.4659","0.0004","14.7078","0.0005","90","","90","","90","","1308.65","0.08","293.47","0.1","293.47","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Yang, Qian-Qian; Xiao, Wei; Du, Wei; Ouyang, Qin; Chen, Ying-Chun","Asymmetric [4+2] annulations to construct norcamphor scaffolds with 2-cyclopentenone via double amine-thiol catalysis.","Chemical communications (Cambridge, England)","2018","54","9","1129","1132","10.1039/c7cc09221k","","x-ray","1.54184","CuKα","","0.0528","0.0522","","","0.1269","0.128","","","","","","1.117","","","","has coordinates","228405","2020-10-21","18:00:00",""
"7121150","12.8589","0.0002","16.0231","0.0002","19.8745","0.0004","90","","90","","90","","4094.93","0.12","123.15","","123.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H70 Al N2 Na O4 Si4 -","- C28 H70 Al N2 Na O4 Si4 -","- C112 H280 Al4 N8 Na4 O16 Si16 -","4","1","","Pollard, Victoria A.; Orr, Samantha A.; McLellan, Ross; Kennedy, Alan R.; Hevia, Eva; Mulvey, Robert E.","Lithium diamidodihydridoaluminates: bimetallic cooperativity in catalytic hydroboration and metallation applications","Chemical Communications","2018","","","","","10.1039/C7CC08214B","","x-ray","1.54184","CuKα","","0.0351","0.0344","","","0.0925","0.0932","","","","","","1.0812","","","","has coordinates,has disorder","278046","2022-09-21","15:45:42",""
"7121151","12.3904","0.0003","14.4124","0.0003","21.285","0.0005","90","","90","","90","","3800.98","0.15","123.15","","123.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H62 Al Li N2 O4 Si4 -","- C27 H62 Al Li N2 O4 Si4 -","- C108 H248 Al4 Li4 N8 O16 Si16 -","4","1","","Pollard, Victoria A.; Orr, Samantha A.; McLellan, Ross; Kennedy, Alan R.; Hevia, Eva; Mulvey, Robert E.","Lithium diamidodihydridoaluminates: bimetallic cooperativity in catalytic hydroboration and metallation applications","Chemical Communications","2018","","","","","10.1039/C7CC08214B","","x-ray","1.54184","CuKα","","0.034","0.032","","","0.0822","0.0837","","","","","","1.0222","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7121158","8.6582","0.0004","10.5543","0.0006","25.8744","0.0016","90","","90","","90","","2364.4","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N3 O4 S -","- C26 H27 N3 O4 S -","- C104 H108 N12 O16 S4 -","4","1","","Sheng, Guorong; Ma, Shicong; Bai, Songlin; Mao, Jianming; Lu, Ping; Wang, Yanguang","A copper-catalyzed reaction of 3-diazoindolin-2-imines with 2-(phenylamino)ethanols: convenient access to spiro[indoline-3,2'-oxazolidin]-2-imines.","Chemical communications (Cambridge, England)","2018","54","12","1529","1532","10.1039/c7cc09488d","","","0.71073","MoKα","","0.0615","0.0442","","","0.0965","0.1056","","","","","","1.023","","","","has coordinates","228599","2020-10-21","18:00:00",""
"7121159","8.6243","0.0006","10.5297","0.0007","25.811","0.002","90","","90","","90","","2343.9","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N3 O4 S -","- C26 H27 N3 O4 S -","- C104 H108 N12 O16 S4 -","4","1","","Sheng, Guorong; Ma, Shicong; Bai, Songlin; Mao, Jianming; Lu, Ping; Wang, Yanguang","A copper-catalyzed reaction of 3-diazoindolin-2-imines with 2-(phenylamino)ethanols: convenient access to spiro[indoline-3,2'-oxazolidin]-2-imines.","Chemical communications (Cambridge, England)","2018","54","12","1529","1532","10.1039/c7cc09488d","","","0.71073","MoKα","","0.0504","0.0399","","","0.0914","0.0982","","","","","","1.031","","","","has coordinates","228599","2020-10-21","18:00:00",""
"7121162","9.5082","0.0014","9.5276","0.0015","18.393","0.003","90","","90","","90","","1666.2","0.5","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Sheng, Guorong; Ma, Shicong; Bai, Songlin; Mao, Jianming; Lu, Ping; Wang, Yanguang","A copper-catalyzed reaction of 3-diazoindolin-2-imines with 2-(phenylamino)ethanols: convenient access to spiro[indoline-3,2'-oxazolidin]-2-imines.","Chemical communications (Cambridge, England)","2018","54","12","1529","1532","10.1039/c7cc09488d","","","0.71073","MoKα","","0.0825","0.0571","","","0.1166","0.1409","","","","","","1.097","","","","has coordinates","228599","2020-10-21","18:00:00",""
"7121193","13.3448","0.0006","25.7942","0.0013","31.7835","0.0015","90","","90","","90","","10940.5","0.9","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H90 Cl2 N2 P2 Zr -","- C44 H62 Cl2 N2 P2 Zr -","- C352 H496 Cl16 N16 P16 Zr8 -","8","2","","Grant, Lauren N.; Miehlich, Matthias E.; Meyer, Karsten; Mindiola, Daniel J.","Arrested disproportionation in trivalent, mononuclear, and non-metallocene complexes of Zr(iii) and Hf(iii).","Chemical communications (Cambridge, England)","2018","54","16","2052","2055","10.1039/c7cc08815a","","","0.71073","MoKα","","0.0516","0.0393","","","0.0844","0.0893","","","","","","1.025","","","","has coordinates","228285","2020-10-21","18:00:00",""
"7121196","13.3358","0.0006","25.5782","0.0013","31.842","0.0014","90","","90","","90","","10861.5","0.9","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H78 Cl2 Hf N2 P2 -","- C58 H78 Cl2 Hf N2 P2 -","- C464 H624 Cl16 Hf8 N16 P16 -","8","2","","Grant, Lauren N.; Miehlich, Matthias E.; Meyer, Karsten; Mindiola, Daniel J.","Arrested disproportionation in trivalent, mononuclear, and non-metallocene complexes of Zr(iii) and Hf(iii).","Chemical communications (Cambridge, England)","2018","54","16","2052","2055","10.1039/c7cc08815a","","","0.71073","MoKα","","0.0271","0.0248","","","0.0617","0.065","","","","","","1.058","","","","has coordinates","228285","2020-10-21","18:00:00",""
"7121206","8.1382","0.0001","11.2235","0.0002","19.4636","0.0003","90","","90","","90","","1777.79","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 S -","- C18 H21 N O4 S -","- C72 H84 N4 O16 S4 -","4","1","","Chen, Jun; Guo, Hong-Mei; Zhao, Quan-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","Visible light-driven photocatalytic generation of sulfonamidyl radicals for alkene hydroamination of unsaturated sulfonamides.","Chemical communications (Cambridge, England)","2018","54","50","6780","6783","10.1039/c7cc09871e","","","1.54178","CuKα","","0.0285","0.0281","","","0.0807","0.081","","","","","","1.061","","","","has coordinates","228307","2020-10-21","18:00:00",""
"7121216","9.612","0.0005","9.9405","0.0004","52.933","0.003","90","","90","","90","","5057.6","0.4","210.01","0.1","210.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 N3 O5 -","- C29 H29 N3 O5 -","- C232 H232 N24 O40 -","8","2","","Li, Nai-Kai; Fan, Wei-Tai; Zhang, Jun-Qi; Sun, Bing-Bing; Chen, Jun-Bo; Wang, Xing-Wang","Diastereodivergent synthesis of bispirooxindoles via asymmetric Friedel-Crafts/aldol cascade reaction: co-catalyst effects on diastereoselective outcomes.","Chemical communications (Cambridge, England)","2018","54","18","2260","2263","10.1039/c7cc09489b","","","1.54184","CuKα","","0.0814","0.0537","","","0.1025","0.1169","","","","","","0.977","","","","has coordinates","228447","2020-10-21","18:00:00",""
"7121253","12.31677","0.00014","14.9414","0.0003","18.7844","0.0003","90","","90","","90","","3456.89","0.1","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H49 Cl6 O P2 W -","- C27 H49 Cl6 O P2 W -","- C108 H196 Cl24 O4 P8 W4 -","4","1","","Han, Yong-Shen; Hill, Anthony F.; Kong, Richard Y.","An unusual alkylidyne homologation.","Chemical communications (Cambridge, England)","2018","54","18","2292","2295","10.1039/c8cc00119g","","x-ray","1.54184","CuKα","","0.0524","0.0502","","","0.1187","0.1204","","","","","","1.076","","","","has coordinates,has disorder","228445","2020-10-21","18:00:00",""
"7121255","12.31677","0.00014","14.9414","0.0003","18.7844","0.0003","90","","90","","90","","3456.89","0.1","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H49 Cl6.43 O0.58 P2 W -","- C27 H49 Cl7 P2 W -","- C108 H196 Cl28 P8 W4 -","4","1","","Han, Yong-Shen; Hill, Anthony F.; Kong, Richard Y.","An unusual alkylidyne homologation.","Chemical communications (Cambridge, England)","2018","54","18","2292","2295","10.1039/c8cc00119g","","x-ray","1.54184","CuKα","","0.0729","0.0703","","","0.1614","0.1637","","","","","","1.059","","","","has coordinates,has disorder","228445","2020-10-21","18:00:00",""
"7121261","8.4929","0.0013","9.8371","0.0016","39.949","0.006","90","","90","","90","","3337.6","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-2-((tert-butyldiphenylsilyl)oxy)-2-phenyl-1-tosyl-4-vinylpyrrolidine","","- C35 H39 N O3 S Si -","- C35 H39 N O3 S Si -","- C140 H156 N4 O12 S4 Si4 -","4","1","","Zhu, Chao-Ze; Feng, Jian-Jun; Zhang, Junliang","Divergent synthesis of functionalized pyrrolidines and γ-amino ketones via rhodium-catalyzed switchable reactions of vinyl aziridines and silyl enol ethers.","Chemical communications (Cambridge, England)","2018","54","19","2401","2404","10.1039/c8cc00279g","","","0.71073","MoKα","","0.0882","0.047","","","0.0932","0.1086","","","","","","1.014","","","","has coordinates","228263","2020-10-21","18:00:00",""
"7121271","5.955","0.0014","18.08","0.004","18.63","0.004","90","","90","","90","","2005.8","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br N2 O -","- C23 H21 Br N2 O -","- C92 H84 Br4 N8 O4 -","4","1","","Wei, Liang; Zhu, Qiao; Song, Zhi-Min; Liu, Kang; Wang, Chun-Jiang","Catalytic asymmetric inverse electron demand Diels-Alder reaction of fulvenes with azoalkenes.","Chemical communications (Cambridge, England)","2018","54","20","2506","2509","10.1039/c7cc09896k","","","0.71073","MoKα","","0.0971","0.0438","","","0.087","0.1031","","","","","","1.016","","","","has coordinates","228350","2020-10-21","18:00:00",""
"7121274","7.4823","0.0003","13.0258","0.0006","21.7018","0.001","90","","90","","90","","2115.12","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","1","","Chen, Song; Wu, Liang; Shao, Qihang; Yang, Guoqiang; Zhang, Wanbin","Pd(ii)-Catalyzed asymmetric 1,6-conjugate addition of arylboronic acids to Meldrum's acid-derived dienes.","Chemical communications (Cambridge, England)","2018","54","20","2522","2525","10.1039/c8cc00493e","","","1.54178","CuKα","","0.0296","0.0282","","","0.0707","0.0717","","","","","","1.09","","","","has coordinates","228351","2020-10-21","18:00:00",""
"7121295","7.656","0.002","9.85","0.003","18.33","0.005","90","","90","","90","","1382.3","0.7","293","2","293","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br Cl N3 -","- C14 H9 Br Cl N3 -","- C56 H36 Br4 Cl4 N12 -","4","1","","Kumar, Navaneet; Ansari, Mohd Yeshab; Kant, Ruchir; Kumar, Atul","Copper-catalyzed decarboxylative regioselective synthesis of 1,5-disubstituted 1,2,3-triazoles.","Chemical communications (Cambridge, England)","2018","54","21","2627","2630","10.1039/c7cc09934g","","","0.71075","MoKα","","0.0532","0.0367","","","0.0717","0.0768","","","","","","0.987","","","","has coordinates","228458","2020-10-21","18:00:00",""
"7121309","8.752","0.013","21.67","0.03","22.43","0.03","90","","90","","90","","4254","10","173","2","173","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C37.5 H65 B Br Cl3 Ni O2 P2 S -","- C37.5 H62 B Br Cl3 Ni O2 P2 S -","- C150 H248 B4 Br4 Cl12 Ni4 O8 P8 S4 -","4","1","","Terada, Misaki; Nishii, Yuji; Miura, Masahiro","Synthesis, crystal structure and reactivity of η<sup>2</sup>-thiophyne Ni complexes.","Chemical communications (Cambridge, England)","2018","54","23","2918","2921","10.1039/c8cc00705e","","","0.71075","MoKα","","0.1337","0.0955","","","0.177","0.2013","","","","","","1.076","","","","has coordinates,has disorder","228452","2020-10-21","18:00:00",""
"7121328","9.389","0.003","12.021","0.004","17.402","0.006","90","","90","","90","","1964.1","1.1","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 S -","- C19 H22 N2 O3 S -","- C76 H88 N8 O12 S4 -","4","1","","Feng, Jie; Ma, Peng-Ju; Zeng, Yong-Ming; Xu, Yan-Jun; Lu, Chong-Dao","Construction of α-methoxyimidoyl ketonitrones via phosphite-mediated addition of α-keto N-tert-butanesulfinyl imidates to nitrosoarenes.","Chemical communications (Cambridge, England)","2018","54","23","2882","2885","10.1039/c8cc00345a","","","0.71073","MoKα","","0.101","0.0471","","","0.1005","0.1234","","","","","","0.968","","","","has coordinates","228453","2020-10-21","18:00:00",""
"7121330","7.8609","0.0012","10.9333","0.0017","17.847","0.003","90","","90","","90","","1533.9","0.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O2 S -","- C16 H16 N2 O2 S -","- C64 H64 N8 O8 S4 -","4","1","","Feng, Jie; Ma, Peng-Ju; Zeng, Yong-Ming; Xu, Yan-Jun; Lu, Chong-Dao","Construction of α-methoxyimidoyl ketonitrones via phosphite-mediated addition of α-keto N-tert-butanesulfinyl imidates to nitrosoarenes.","Chemical communications (Cambridge, England)","2018","54","23","2882","2885","10.1039/c8cc00345a","","","0.71073","MoKα","","0.1114","0.0506","","","0.098","0.1198","","","","","","0.985","","","","has coordinates","228453","2020-10-21","18:00:00",""
"7121346","9.9397","0.0016","12.0611","0.0019","21.14","0.003","90","","90","","90","","2534.3","0.7","150","2","150.02","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 B F4 N2 -","- C32 H23 B F4 N2 -","- C128 H92 B4 F16 N8 -","4","1","","Zhou, Jiliang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.","An umpolung of Lewis acidity/basicity at nitrogen by deprotonation of a cyclic (amino)(aryl)nitrenium cation.","Chemical communications (Cambridge, England)","2018","54","35","4390","4393","10.1039/c8cc01331d","","","0.71073","MoKα","","0.0836","0.0445","","","0.0725","0.0827","","","","","","0.989","","","","has coordinates","228504","2020-10-21","18:00:00",""
"7121360","11.3561","0.001","27.561","0.003","31.571","0.003","90","","90","","90","","9881.3","1.7","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C109 H93 Cl15 -","- C109 H93 Cl15 -","- C436 H372 Cl60 -","4","1","","Jiménez, Vicente G; Tapia, Rubén; Medel, Miguel A.; Mariz, Inês F A; Ribeiro, Tânia; Blanco, Victor; Cuerva, Juan M.; Maçôas, Ermelinda; Campaña, Araceli G","Aggregation-induced emission of [3]cumulenes functionalized with heptagon-containing polyphenylenes.","Chemical communications (Cambridge, England)","2018","54","27","3359","3362","10.1039/c8cc00386f","","","1.54178","CuKα","","0.113","0.1095","","","0.3178","0.3233","","","","","","1.588","","","","has coordinates","228040","2020-10-21","18:00:00",""
"7121376","7.31147","0.00016","13.7958","0.0004","19.1823","0.0005","90","","90","","90","","1934.87","0.09","295","0.7","295","0.7","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Cl O4 -","- C22 H19 Cl O4 -","- C88 H76 Cl4 O16 -","4","1","","Yao, Qian; Yu, Han; Zhang, Hang; Dong, Shunxi; Chang, Fenzhen; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Lewis acid catalyzed asymmetric [4+2] cycloaddition of cyclobutenones to synthesize α,β-unsaturated δ-lactones.","Chemical communications (Cambridge, England)","2018","54","27","3375","3378","10.1039/C8CC01040D","","x-ray","1.54184","CuKα","","0.0625","0.0587","","","0.1513","0.1587","","","","","","1.055","","","","has coordinates","228042","2020-10-21","18:00:00",""
"7121388","7.0085","0.0004","10.9667","0.0007","26.5254","0.0015","90","","90","","90","","2038.7","0.2","292.4","0.5","292.4","0.5","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-1-((4-bromophenyl)sulfonyl)-3-phenyl-2,3-dihydro-1H-benzo[g]indole","","- C24 H18 Br N O2 S -","- C24 H18 Br N O2 S -","- C96 H72 Br4 N4 O8 S4 -","4","1","","Liu, Ce; Liang, Yujie; Zheng, Nian; Zhang, Bo-Sheng; Feng, Yuan; Bi, Siwei; Liang, Yong-Min","Synthesis of indolines via a palladium/norbornene-catalyzed reaction of aziridines with aryl iodides.","Chemical communications (Cambridge, England)","2018","54","27","3407","3410","10.1039/C8CC01062E","","","0.71073","MoKα","","0.1005","0.0524","","","0.0843","0.1007","","","","","","1.004","","","","has coordinates","228041","2020-10-21","18:00:00",""
"7121391","9.36","0.0004","10.9241","0.0004","18.8533","0.0007","90","","90","","90","","1927.74","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C96 H80 O16 -","4","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Dynamic kinetic resolution of bis-aryl succinic anhydrides: enantioselective synthesis of densely functionalised γ-butyrolactones.","Chemical communications (Cambridge, England)","2018","54","26","3231","3234","10.1039/c8cc00609a","","x-ray","1.54178","CuKα","","0.0311","0.031","","","0.0772","0.0772","","","","","","1.08","","","","has coordinates","228174","2020-10-21","18:00:00",""
"7121392","9.3111","0.0003","14.0732","0.0005","15.7875","0.0006","90","","90","","90","","2068.75","0.13","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O4 -","- C26 H24 O4 -","- C104 H96 O16 -","4","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Dynamic kinetic resolution of bis-aryl succinic anhydrides: enantioselective synthesis of densely functionalised γ-butyrolactones.","Chemical communications (Cambridge, England)","2018","54","26","3231","3234","10.1039/c8cc00609a","","x-ray","1.54178","CuKα","","0.0301","0.03","","","0.0771","0.0773","","","","","","1.048","","","","has coordinates","228174","2020-10-21","18:00:00",""
"7121399","8.5975","0.0002","12.0983","0.0002","19.96","0.0004","90","","90","","90","","2076.14","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N3 O3 S -","- C23 H19 N3 O3 S -","- C92 H76 N12 O12 S4 -","4","1","","Unhale, Rajshekhar A.; Sadhu, Milon M.; Ray, Sumit K.; Biswas, Rayhan G.; Singh, Vinod K.","A chiral Brønsted acid-catalyzed highly enantioselective Mannich-type reaction of α-diazo esters with in situ generated N-acyl ketimines.","Chemical communications (Cambridge, England)","2018","54","28","3516","3519","10.1039/C8CC01436A","","","0.71073","MoKα","","0.0449","0.0408","","","0.1107","0.1139","","","","","","1.057","","","","has coordinates","227982","2020-10-21","18:00:00",""
"7121477","6.5124","0.0003","15.0561","0.0007","20.2887","0.001","90","","90","","90","","1989.33","0.16","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 O8 -","- C23 H22 O8 -","- C92 H88 O32 -","4","1","","Vibhute, Amol M.; Deva Priyakumar, U.; Ravi, Arthi; Sureshan, Kana M.","Model molecules to classify CHO hydrogen-bonds.","Chemical communications (Cambridge, England)","2018","54","36","4629","4632","10.1039/c8cc01653d","","","0.71073","MoKα","","0.0414","0.0312","","","0.0748","0.0804","","","","","","0.851","","","","has coordinates","228487","2020-10-21","18:00:00",""
"7121492","11.8352","0.0001","17.5939","0.0002","18.329","0.0002","90","","90","","90","","3816.6","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H61 Cl N4 Zn -","- C40 H61 Cl N4 Zn -","- C160 H244 Cl4 N16 Zn4 -","4","1","","Ballestero-Martínez, Ernesto; Hadlington, Terrance J.; Szilvási, Tibor; Yao, Shenglai; Driess, Matthias","From zinco(ii) arsaketenes to silylene-stabilised zinco arsinidene complexes.","Chemical communications (Cambridge, England)","2018","54","48","6124","6127","10.1039/c8cc01928b","","","1.54184","CuKα","","0.0392","0.037","","","0.096","0.0988","","","","","","1.012","","","","has coordinates,has disorder","228358","2020-10-21","18:00:00",""
"7121524","6.6428","0.0003","14.2542","0.0006","17.8105","0.0007","90","","90","","90","","1686.44","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 O5 -","- C20 H14 N2 O5 -","- C80 H56 N8 O20 -","4","1","","Khan, Ijaz; Zhao, Can; Zhang, Yong Jian","Pd-Catalyzed asymmetric decarboxylative cycloaddition of vinylethylene carbonates with 3-cyanochromones.","Chemical communications (Cambridge, England)","2018","54","37","4708","4711","10.1039/c8cc02456a","","","1.54178","CuKα","","0.024","0.0231","","","0.0617","0.0625","","","","","","1.076","","","","has coordinates","228038","2020-10-21","18:00:00",""
"7121526","7.0542","0.0002","14.1154","0.0004","17.6777","0.0005","90","","90","","90","","1760.22","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","Khan, Ijaz; Zhao, Can; Zhang, Yong Jian","Pd-Catalyzed asymmetric decarboxylative cycloaddition of vinylethylene carbonates with 3-cyanochromones.","Chemical communications (Cambridge, England)","2018","54","37","4708","4711","10.1039/c8cc02456a","","","1.54178","CuKα","","0.0474","0.0457","","","0.1228","0.1258","","","","","","1.051","","","","has coordinates","228038","2020-10-21","18:00:00",""
"7121527","7.5861","0.0003","13.2521","0.0005","20.2623","0.0008","90","","90","","90","","2037","0.14","290","0.1","290","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 Cl5 N2 Sb -","- C12 H28 Cl5 N2 Sb -","- C48 H112 Cl20 N8 Sb4 -","4","1","","Zhang, Jing; Han, Shiguo; Liu, Xitao; Wu, Zhenyue; Ji, Chengmin; Sun, Zhihua; Luo, Junhua","A lead-free perovskite-like hybrid with above-room-temperature switching of quadratic nonlinear optical properties.","Chemical communications (Cambridge, England)","2018","54","44","5614","5617","10.1039/c8cc02496k","","x-ray","0.71073","MoKα","","0.0439","0.0349","","","0.0647","0.0697","","","","","","1.031","","","","has coordinates","228029","2020-10-21","18:00:00",""
"7121580","6.8428","0.0004","12.319","0.0008","21.388","0.0012","90","","90","","90","","1802.93","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O2 -","- C22 H29 N O2 -","- C88 H116 N4 O8 -","4","1","","Savić, Marina P; Ajduković, Jovana J; Plavša, Jovana J; Bekić, Sofija S; Ćelić, Andjelka S; Klisurić, Olivera R; Jakimov, Dimitar S.; Petri, Edward T.; Djurendić, Evgenija A","Evaluation of A-ring fused pyridine d-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity.","MedChemComm","2018","9","6","969","981","10.1039/c8md00077h","","","1.54184","CuKα","","0.0519","0.0452","","","0.1193","0.1259","","","","","","1.025","","","","has coordinates","230134","2020-10-21","18:00:00",""
"7121582","7.8675","0.0002","12.2525","0.0004","23.0556","0.0008","90","","90","","90","","2222.48","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 -","- C28 H32 N2 -","- C112 H128 N8 -","4","1","","Savić, Marina P; Ajduković, Jovana J; Plavša, Jovana J; Bekić, Sofija S; Ćelić, Andjelka S; Klisurić, Olivera R; Jakimov, Dimitar S.; Petri, Edward T.; Djurendić, Evgenija A","Evaluation of A-ring fused pyridine d-modified androstane derivatives for antiproliferative and aldo-keto reductase 1C3 inhibitory activity.","MedChemComm","2018","9","6","969","981","10.1039/c8md00077h","","","1.54184","CuKα","","0.0584","0.0543","","","0.1516","0.1586","","","","","","1.045","","","","has coordinates","230134","2020-10-21","18:00:00",""
"7121608","7.0842","0.0003","14.2629","0.0004","18.9648","0.0005","90","","90","","90","","1916.23","0.11","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Br F3 N O4 -","- C20 H15 Br F3 N O4 -","- C80 H60 Br4 F12 N4 O16 -","4","1","","Kondo, Hiroya; Maeno, Mayaka; Hirano, Kazuki; Shibata, Norio","Asymmetric synthesis of α-trifluoromethoxy ketones with a tetrasubstituted α-stereogenic centre via the palladium-catalyzed decarboxylative allylic alkylation of allyl enol carbonates.","Chemical communications (Cambridge, England)","2018","54","44","5522","5525","10.1039/c8cc03131b","","","0.71075","MoKα","","","0.031","","","","0.0701","","","","","","1.033","","","","has coordinates","228028","2020-10-21","18:00:00",""
"7121620","8.2814","0.0007","12.1086","0.0008","23.3936","0.0012","90","","90","","90","","2345.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O3 S -","- C28 H27 N O3 S -","- C112 H108 N4 O12 S4 -","4","1","","Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.","Chemical communications (Cambridge, England)","2018","54","44","5622","5625","10.1039/c8cc03204a","","x-ray","1.54184","CuKα","K-L~2,3~","0.0365","0.0355","","","0.0903","0.0913","","","","","","1.058","","","","has coordinates,has disorder","228027","2020-10-21","18:00:00",""
"7121623","7.977","0.0005","15.2993","0.0008","18.0186","0.0011","90","","90","","90","","2199","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C100 H108 N4 O12 S4 -","4","1","","Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.","Chemical communications (Cambridge, England)","2018","54","44","5622","5625","10.1039/c8cc03204a","","x-ray","1.54184","CuKα","","0.0369","0.0358","","","0.0949","0.0959","","","","","","1.042","","","","has coordinates","228027","2020-10-21","18:00:00",""
"7121663","13.6107","0.0005","19.3024","0.0005","19.5658","0.0007","90","","90","","90","","5140.3","0.3","100","2","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H54 Cl2 O2 P4 Rh2 Si2 -","- C50 H54 Cl2 O2 P4 Rh2 Si2 -","- C200 H216 Cl8 O8 P16 Rh8 Si8 -","4","1","","Newland, Robert J.; Lynam, Jason M.; Mansell, Stephen M.","Small bite-angle 2-phosphinophosphinine ligands enable rhodium-catalysed hydroboration of carbonyls.","Chemical communications (Cambridge, England)","2018","54","43","5482","5485","10.1039/c8cc01880d","","","0.71073","MoKα","","0.035","0.028","","","0.0504","0.0523","","","","","","1.024","","","","has coordinates,has disorder","228126","2020-10-21","18:00:00",""
"7121697","7.742","0.002","14.293","0.005","25.54","0.007","90","","90","","90","","2826.2","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 B2 Cl2 N2 -","- C33 H26 B2 Cl2 N2 -","- C132 H104 B8 Cl8 N8 -","4","1","","Zhang, Jinyun; Liu, Fude; Sun, Zhe; Li, Chenglong; Zhang, Qian; Zhang, Chen; Liu, Zhiqiang; Liu, Xuguang","Synthesis, characterization and properties of aryl-fused bis-BN dihydropyrenes.","Chemical communications (Cambridge, England)","2018","54","59","8178","8181","10.1039/c8cc01748d","","","0.71073","MoKα","","0.1952","0.0954","","","0.252","0.3313","","","","","","0.931","","","","has coordinates,has disorder","228554","2020-10-21","18:00:00",""
"7121704","35.034","0.007","10.393","0.002","17.979","0.004","90","","90","","90","","6546","2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C74 H72 N6 O3 -","- C74 H72 N6 O3 -","- C296 H288 N24 O12 -","4","1","","Jeon, Hae-Geun; Lee, Hyun Kyung; Lee, Seungwon; Jeong, Kyu-Sung","Foldamer-based helicate displaying reversible switching between two distinct conformers.","Chemical communications (Cambridge, England)","2018","54","45","5740","5743","10.1039/c8cc02758g","","","0.7","synchrotron","","0.1161","0.0818","","","0.2256","0.2451","","","","","","0.953","","","","has coordinates","228521","2020-10-21","18:00:00",""
"7121720","5.4568","0.0007","7.5939","0.0005","45.622","0.003","90","","90","","90","","1890.5","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N3 O2 -","- C25 H19 N3 O2 -","- C100 H76 N12 O8 -","4","1","","Sun, Wuji; Fang, Shubiao; Yan, Hong","Discovery of novel picolinamide-based derivatives as novel VEGFR-2 kinase inhibitors: synthesis, <i>in vitro</i> biological evaluation and molecular docking.","MedChemComm","2018","9","6","1054","1058","10.1039/c8md00057c","","","0.71073","MoKα","","0.0303","0.0298","","","0.0739","0.0743","","","","","","1.079","","","","has coordinates","230133","2020-10-21","18:00:00",""
"7121756","14.121","0.0005","14.5253","0.0005","18.8086","0.0006","90","","90","","90","","3857.9","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H56 Cl2 P2 Rh2 S2 -","- C34 H56 Cl2 P2 Rh2 S2 -","- C136 H224 Cl8 P8 Rh8 S8 -","4","1","","Vlahopoulou, G.; Möller, S; Haak, J.; Hasche, P.; Drexler, H.-J.; Heller, D.; Beweries, T.","Synthesis of Rh(iii) thiophosphinito pincer hydrido complexes by base-free C-H bond activation at room temperature.","Chemical communications (Cambridge, England)","2018","54","49","6292","6295","10.1039/c8cc03913e","","","1.54178","CuKα","","0.0369","0.0357","","","0.0947","0.0958","","","","","","1.011","","","","has coordinates,has disorder","228491","2020-10-21","18:00:00",""
"7121761","8.7032","0.0004","13.2565","0.0006","18.0076","0.0009","90","","90","","90","","2077.61","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 F O5 P -","- C21 H22 F O5 P -","- C84 H88 F4 O20 P4 -","4","1","","Sun, Jun; He, Fangcheng; Wang, Zhongyao; Pan, Dingwu; Zheng, Pengcheng; Mou, Chengli; Jin, Zhichao; Chi, Yonggui Robin","Carbene-catalyzed enal γ-carbon addition to α-ketophosphonates for enantioselective access to bioactive 2-pyranylphosphonates.","Chemical communications (Cambridge, England)","2018","54","47","6040","6043","10.1039/c8cc03017k","","","1.54178","CuKα","","0.0513","0.0457","","","0.1177","0.1234","","","","","","1.052","","","","has coordinates,has disorder","228325","2020-10-21","18:00:00",""
"7121764","7.1336","0.0005","12.7135","0.0008","20.4017","0.0014","90","","90","","90","","1850.3","0.2","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O5 -","- C21 H23 N O5 -","- C84 H92 N4 O20 -","4","1","","Abe, Hideki; Fujimaki, Mitsuru; Nakagawa, Eri; Kobayashi, Toyoharu; Ito, Hisanaka","Enantioselective total synthesis of sagittacin E and related natural products.","Chemical communications (Cambridge, England)","2018","54","48","6165","6168","10.1039/c8cc03438a","","","0.71073","MoKα","","0.0378","0.0348","","","0.0843","0.0867","","","","","","1.03","","","","has coordinates","228353","2020-10-21","18:00:00",""
"7121766","7.102","0.003","8.451","0.003","24.298","0.009","90","","90","","90","","1458.3","1","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Abe, Hideki; Fujimaki, Mitsuru; Nakagawa, Eri; Kobayashi, Toyoharu; Ito, Hisanaka","Enantioselective total synthesis of sagittacin E and related natural products.","Chemical communications (Cambridge, England)","2018","54","48","6165","6168","10.1039/c8cc03438a","","","0.71073","MoKα","","0.0331","0.0316","","","0.0797","0.081","","","","","","1.023","","","","has coordinates","228353","2020-10-21","18:00:00",""
"7121788","3.8549","0.0009","11.732","0.002","27.48","0.005","90","","90","","90","","1242.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Br2 O2 -","- C13 H8 Br1.9995 O2 -","- C52 H32 Br7.998 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Trimorphs of 4-bromophenyl 4-bromobenzoate. Elastic, brittle, plastic.","Chemical communications (Cambridge, England)","2018","54","49","6348","6351","10.1039/c8cc02662a","","","0.71073","MoKα","","0.0611","0.0567","","","0.1616","0.1666","","","","","","0.995","","","","has coordinates","228499","2020-10-21","18:00:00",""
"7121789","8.3572","0.0003","15.2648","0.0005","20.6156","0.0006","90","","90","","90","","2629.95","0.15","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Imidazolidine","Ethyl (2S,4S,5S)-2,5-bis(4-bromophenyl)-1-(2-ethoxy-2-oxoethyl)-3-phenylimidazolidine-4-carboxylate","","- C28 H28 Br2 N2 O4 -","- C28 H28 Br2 N2 O4 -","- C112 H112 Br8 N8 O16 -","4","1","","Jia, Hao; Guo, Zhenyan; Liu, Honglei; Mao, Biming; Shi, Xueyan; Guo, Hongchao","Tandem nucleophilic addition-cycloaddition of arynes with α-iminoesters: two concurrent pathways to imidazolidines.","Chemical communications (Cambridge, England)","2018","54","51","7050","7053","10.1039/c8cc03806f","","","0.71073","MoKα","","0.0837","0.052","","","0.0855","0.0951","","","","","","1.022","","","","has coordinates","228012","2020-10-21","18:00:00",""
"7121790","9.49079","0.00017","9.73586","0.00018","26.0784","0.0005","90","","90","","90","","2409.67","0.08","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O4 -","- C30 H27 N O4 -","- C120 H108 N4 O16 -","4","1","","Pawliczek, Martin; Shimazaki, Yuto; Kimura, Hidenori; Oberg, Kevin M.; Zakpur, Saman; Hashimoto, Takuya; Maruoka, Keiji","Phase-transfer-catalysed asymmetric synthesis of 2,2-disubstituted 1,4-benzoxazin-3-ones.","Chemical communications (Cambridge, England)","2018","54","51","7078","7080","10.1039/c8cc03635g","","","1.54187","CuKα","","0.0401","0.0363","","","0.1045","0.1086","","","","","","0.893","","","","has coordinates","228011","2020-10-21","18:00:00",""
"7121812","5.7386","0.0004","9.5416","0.0007","18.3137","0.0013","90","","90","","90","","1002.77","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O -","- C12 H14 N2 O -","- C48 H56 N8 O4 -","4","1","","Wu, Kui; Du, Yuliu; Wei, Zheng; Wang, Ting","Synthesis of functionalized pyrroloindolines via a visible-light-induced radical cascade reaction: rapid synthesis of (±)-flustraminol B.","Chemical communications (Cambridge, England)","2018","54","54","7443","7446","10.1039/c8cc03575j","","","0.71073","MoKα","","0.0572","0.0449","","","0.0903","0.096","","","","","","1.052","","","","has coordinates","228562","2020-10-21","18:00:00",""
"7121843","7.6651","0.0003","12.4842","0.0006","18.5353","0.0008","90","","90","","90","","1773.69","0.13","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","FJ14-006","","- C17 H28 O6 -","- C17 H28 O6 -","- C68 H112 O24 -","4","1","","Feng, Jing; Yu, Tianzi; Zhang, Zhijiang; Li, Jinpeng; Fu, Shaomin; Chen, Juan; Liu, Bo","Asymmetric synthesis of the fully functionalized six-membered ring of trigoxyphin A.","Chemical communications (Cambridge, England)","2018","54","55","7665","7668","10.1039/c8cc04351e","","","1.54178","","","0.0374","0.037","","","0.1103","0.1108","","","","","","1.157","","","","has coordinates","228056","2020-10-21","18:00:00",""
"7121844","8.9598","0.0003","11.7903","0.0003","17.2249","0.0005","90","","90","","90","","1819.62","0.09","292.85","0.19","292.85","0.19","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O7 -","- C17 H26 O7 -","- C68 H104 O28 -","4","1","","Feng, Jing; Yu, Tianzi; Zhang, Zhijiang; Li, Jinpeng; Fu, Shaomin; Chen, Juan; Liu, Bo","Asymmetric synthesis of the fully functionalized six-membered ring of trigoxyphin A.","Chemical communications (Cambridge, England)","2018","54","55","7665","7668","10.1039/c8cc04351e","","x-ray","1.54184","CuKα","","0.057","0.0555","","","0.1315","0.1343","","","","","","1.108","","","","has coordinates","228056","2020-10-21","18:00:00",""
"7121858","11.199","0.0007","15.1982","0.0009","19.638","0.0014","90","","90","","90","","3342.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 F12 N8 Ni P2 -","- C30 H28 F12 N8 Ni P2 -","- C120 H112 F48 N32 Ni4 P8 -","4","1","","Yang, Chu-Fan; Lu, Taotao; Chen, Xue-Tai; Xue, Zi-Ling","Unusual rearrangement of an N-heterocyclic carbene via a ring-opening and ring-closing process.","Chemical communications (Cambridge, England)","2018","54","56","7830","7833","10.1039/c8cc03589j","","","0.71073","MoKα","","0.0368","0.0328","","","0.0742","0.0758","","","","","","1.031","","","","has coordinates","228135","2020-10-21","18:00:00",""
"7121872","9.253","0.0006","15.3097","0.0011","16.0029","0.0013","90","","90","","90","","2267","0.3","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 I2 N2 P -","- C21 H25 I2 N2 P -","- C84 H100 I8 N8 P4 -","4","1","","Cicač-Hudi, M; Schlindwein, S. H.; Feil, C. M.; Nieger, M.; Gudat, D.","Isolable N-heterocyclic carbene adducts of the elusive diiodophosphine.","Chemical communications (Cambridge, England)","2018","54","55","7645","7648","10.1039/c8cc03972k","","","0.71073","MoKα","","0.0502","0.0342","","","0.0601","0.0651","","","","","","1.014","","","","has coordinates","228053","2020-10-21","18:00:00",""
"7121898","10.0564","0.0001","15.7574","0.0001","17.1733","0.0001","90","","90","","90","","2721.33","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 Cl N2 O3 Rh -","- C28 H40 Cl N2 O3 Rh -","- C112 H160 Cl4 N8 O12 Rh4 -","4","1","","Thongpaen, Jompol; E Schmid, Thibault; Toupet, Loic; Dorcet, Vincent; Mauduit, Marc; Baslé, Olivier","Directed ortho C-H borylation catalyzed using Cp*Rh(iii)-NHC complexes.","Chemical communications (Cambridge, England)","2018","54","59","8202","8205","10.1039/c8cc03144d","","","1.54184","CuKα","","0.0211","0.0211","","","0.0555","0.0556","","","","","","1.072","","","","has coordinates","228548","2020-10-21","18:00:00",""
"7121899","9.8757","0.0004","15.8497","0.0005","17.3332","0.0007","90","","90","","90","","2713.11","0.18","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl N2 O3 Rh -","- C27 H36 Cl N2 O3 Rh -","- C108 H144 Cl4 N8 O12 Rh4 -","4","1","","Thongpaen, Jompol; E Schmid, Thibault; Toupet, Loic; Dorcet, Vincent; Mauduit, Marc; Baslé, Olivier","Directed ortho C-H borylation catalyzed using Cp*Rh(iii)-NHC complexes.","Chemical communications (Cambridge, England)","2018","54","59","8202","8205","10.1039/c8cc03144d","","x-ray","0.71073","MoKα","","0.057","0.0393","","","0.0832","0.0899","","","","","","1.034","","","","has coordinates","228548","2020-10-21","18:00:00",""
"7121921","7.9398","0.0004","12.1284","0.0009","22.1403","0.0013","90","","90","","90","","2132","0.2","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 N2 O3 -","- C22 H34 N2 O3 -","- C88 H136 N8 O12 -","4","1","","Liang, Xiao; Huang, Xin; Xiong, Mingteng; Shen, Kexin; Pan, Yuanjiang","Copper(i)-catalyzed N-H olefination of sulfonamides for N-sulfonyl enaminone synthesis.","Chemical communications (Cambridge, England)","2018","54","60","8403","8406","10.1039/c8cc04385j","","","0.71073","MoKα","","0.0514","0.0369","","","0.0844","0.0919","","","","","","1.026","","","","has coordinates","228541","2020-10-21","18:00:00",""
"7121924","8.492","0.005","15.351","0.007","22.229","0.011","90","","90","","90","","2898","3","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 B Br2 Cl0 F5 N2 O2 -","- C30 H28 B Br2 F5 N2 O2 -","- C120 H112 B4 Br8 F20 N8 O8 -","4","1","","Roy, Dipak Kumar; Krummenacher, Ivo; Stennett, Tom E.; Lenczyk, Carsten; Thiess, Torsten; Welz, Eileen; Engels, Bernd; Braunschweig, Holger","Selective one- and two-electron reductions of a haloborane enabled by a π-withdrawing carbene ligand.","Chemical communications (Cambridge, England)","2018","54","65","9015","9018","10.1039/c8cc03433h","","","0.71073","MoKα","","0.0572","0.0381","","","0.0768","0.0838","","","","","","0.937","","","","has coordinates","228533","2020-10-21","18:00:00",""
"7121937","7.8822","0.0004","17.4071","0.0008","22.7074","0.0011","90","","90","","90","","3115.6","0.3","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 Cl3 N6 O10 Yb -","- C27 H32 Cl3 N6 O10 Yb -","- C108 H128 Cl12 N24 O40 Yb4 -","4","1","","Mason, Kevin; Harnden, Alice C.; Patrick, Connor W.; Poh, Adeline W. J.; Batsanov, Andrei S.; Suturina, Elizaveta A.; Vonci, Michele; McInnes, Eric J. L.; Chilton, Nicholas F.; Parker, David","Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes.","Chemical communications (Cambridge, England)","2018","54","61","8486","8489","10.1039/c8cc04995e","","x-ray","0.71073","MoKα","","0.0269","0.0214","","","0.0408","0.0417","","","","","","1.02","","","","has coordinates,has disorder","228564","2020-10-21","18:00:00",""
"7121948","9.4594","0.0003","11.2077","0.0004","19.4065","0.0006","90","","90","","90","","2057.44","0.12","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O Pd S -","- C22 H22 N2 O Pd S -","- C88 H88 N8 O4 Pd4 S4 -","4","1","","Yan, Xufei; Sun, Huihui; Xiang, Haifeng; Yu, Da-Gang; Luo, Daibing; Zhou, Xiangge","Palladium-catalyzed C(carbonyl)-C bond cleavage of amides: a facile access to phenylcarbamate derivatives with alcohols.","Chemical communications (Cambridge, England)","2018","54","62","8606","8609","10.1039/c8cc03954b","","x-ray","0.71073","MoKα","","0.0522","0.0356","","","0.0744","0.0825","","","","","","1.035","","","","has coordinates","228473","2020-10-21","18:00:00",""
"7121994","3.8787","0.0001","13.3741","0.0004","26.3417","0.0007","90","","90","","90","","1366.45","0.07","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C56 H40 Br4 N4 O8 -","4","1","","Ding, Jun; Jiang, Wei; Bai, He-Yuan; Ding, Tong-Mei; Gao, Dafang; Bao, Xiaoguang; Zhang, Shu-Yu","Experimental and computational studies on H<sub>2</sub>O-promoted, Rh-catalyzed transient-ligand-free ortho-C(sp<sup>2</sup>)-H amidation of benzaldehydes with dioxazolones.","Chemical communications (Cambridge, England)","2018","54","64","8889","8892","10.1039/c8cc04904a","","","1.54178","CuKα","","0.0642","0.0613","","","0.2012","0.2048","","","","","","1.18","","","","has coordinates","228236","2020-10-21","18:00:00",""
"7121999","3.8727","0.0009","15.111","0.004","17.132","0.005","90","","90","","90","","1002.6","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H9 N -","- C15 H9 N -","- C60 H36 N4 -","4","1","","Mishra, Manish Kumar; Kadambi, Sourabh B.; Ramamurty, Upadrasta; Ghosh, Soumyajit","Elastic flexibility tuning via interaction factor modulation in molecular crystals.","Chemical communications (Cambridge, England)","2018","54","65","9047","9050","10.1039/c8cc04132f","","","0.71073","MoKα","","0.0948","0.0772","","","0.1889","0.2097","","","","","","1.184","","","","has coordinates","228534","2020-10-21","18:00:00",""
"7122023","9.01882","0.00013","13.64803","0.00016","19.2371","0.0002","90","","90","","90","","2367.88","0.05","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl Cr N3 O2 -","- C22 H34 Cl Cr N3 O2 -","- C88 H136 Cl4 Cr4 N12 O8 -","4","1","","Schiwek, Christian H.; Vasilenko, Vladislav; Wadepohl, Hubert; Gade, Lutz H.","The open d-shell enforces the active space in 3d metal catalysis: highly enantioselective chromium(ii) pincer catalysed hydrosilylation of ketones.","Chemical communications (Cambridge, England)","2018","54","66","9139","9142","10.1039/c8cc05172k","","x-ray","0.71073","MoKα","","0.0449","0.0378","","","0.0912","0.0946","","","","","","1.041","","","","has coordinates","228343","2020-10-21","18:00:00",""
"7122024","11.7996","0.0007","14.2516","0.001","17.9837","0.0012","90","","90","","90","","3024.2","0.3","220","1","220","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H45 Cr N3 O2 Si -","- C26 H45 Cr N3 O2 Si -","- C104 H180 Cr4 N12 O8 Si4 -","4","1","","Schiwek, Christian H.; Vasilenko, Vladislav; Wadepohl, Hubert; Gade, Lutz H.","The open d-shell enforces the active space in 3d metal catalysis: highly enantioselective chromium(ii) pincer catalysed hydrosilylation of ketones.","Chemical communications (Cambridge, England)","2018","54","66","9139","9142","10.1039/c8cc05172k","","x-ray","0.71073","MoKα","","0.1","0.0645","","","0.1553","0.1794","","","","","","1.056","","","","has coordinates","228343","2020-10-21","18:00:00",""
"7122056","10.2787","0.0002","15.5439","0.0003","21.1529","0.0004","90","","90","","90","","3379.62","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H50 N4 Ni O -","- C35 H50 N4 Ni O -","- C140 H200 N16 Ni4 O4 -","4","1","","Hadlington, Terrance J.; Szilvási, Tibor; Driess, Matthias","Metal nitrene-like reactivity of a Si[double bond, length as m-dash]N bond towards CO<sub>2</sub>.","Chemical communications (Cambridge, England)","2018","54","67","9352","9355","10.1039/c8cc05238g","","","1.54184","CuKα","","0.0427","0.0365","","","0.0901","0.0962","","","","","","1.031","","","","has coordinates,has disorder","228568","2020-10-21","18:00:00",""
"7122067","7.68141","0.00014","10.8441","0.0002","23.4756","0.0004","90","","90","","90","","1955.47","0.06","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 N2 O3 S2 Si -","- C15 H26 N2 O3 S2 Si -","- C60 H104 N8 O12 S8 Si4 -","4","1","","Sohtome, Yoshihiro; Shimazu, Tadahiro; Barjau, Joaquin; Fujishiro, Shinya; Akakabe, Mai; Terayama, Naoki; Dodo, Kosuke; Ito, Akihiro; Yoshida, Minoru; Shinkai, Yoichi; Sodeoka, Mikiko","Unveiling epidithiodiketopiperazine as a non-histone arginine methyltransferase inhibitor by chemical protein methylome analyses.","Chemical communications (Cambridge, England)","2018","54","66","9202","9205","10.1039/c8cc03907k","","","1.54187","CuKα","","0.0278","0.0267","","","0.0656","0.0661","","","","","","1.08","","","","has coordinates","228334","2020-10-21","18:00:00",""
"7122071","11.871","0.002","17.675","0.004","19.376","0.004","90","","90","","90","","4065.5","1.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","arsagermene","","- C36 H71 As Ge Si2 -","- C36 H71 As Ge Si2 -","- C144 H284 As4 Ge4 Si8 -","4","1","","Lee, Vladimir Ya; Kawai, Manami; Gapurenko, Olga A.; Minkin, Vladimir I.; Gornitzka, Heinz; Sekiguchi, Akira","Arsagermene, a compound with an -As[double bond, length as m-dash]Ge[double bond splayed right] double bond.","Chemical communications (Cambridge, England)","2018","54","78","10947","10949","10.1039/c8cc05630g","","","0.71073","MoKα","","0.0608","0.0496","","","0.1248","0.1328","","","","","","1.063","","","","has coordinates","227988","2020-10-21","18:00:00",""
"7122076","4.9111","0.0001","8.9793","0.0002","18.918","0.0004","90","","90","","90","","834.25","0.03","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 F2 O S -","- C8 H8 F2 O S -","- C32 H32 F8 O4 S4 -","4","1","","Batisse, Chloé; Panossian, Armen; Hanquet, Gilles; Leroux, Frédéric R","Access towards enantiopure α,α-difluoromethyl alcohols by means of sulfoxides as traceless chiral auxiliaries.","Chemical communications (Cambridge, England)","2018","54","74","10423","10426","10.1039/c8cc05571h","","","0.71073","MoKα","","0.0388","0.0327","","","0.0845","0.0926","","","","","","1.14","","","","has coordinates","228205","2020-10-21","18:00:00",""
"7122109","9.8492","0.0003","13.6242","0.0003","20.1945","0.0005","90","","90","","90","","2709.85","0.12","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 O5 P2 Pd -","- C25 H32 O5 P2 Pd -","- C100 H128 O20 P8 Pd4 -","4","1","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0327","0.026","","","0.0525","0.0552","","","","","","1.079","","","","has coordinates,has disorder","228414","2020-10-21","18:00:00",""
"7122110","9.8856","0.0002","15.3472","0.0004","20.4744","0.0005","90","","90","","90","","3106.3","0.13","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 O4 P2 Pd -","- C29 H38 O4 P2 Pd -","- C116 H152 O16 P8 Pd4 -","4","1","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0476","0.0335","","","0.068","0.0739","","","","","","1.097","","","","has coordinates","228414","2020-10-21","18:00:00",""
"7122114","8.18015","0.00016","10.09118","0.00009","45.8101","0.0004","90","","90","","90","","3781.5","0.09","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H47 N O6 P2 Pd -","- C34 H47 N O6 P2 Pd -","- C136 H188 N4 O24 P8 Pd4 -","4","1","","Vasseur, Alexandre; Membrat, Romain; Palpacelli, Davide; Giorgi, Michel; Nuel, Didier; Giordano, Laurent; Martinez, Alexandre","Synthesis of chiral supramolecular bisphosphinite palladacycles through hydrogen transfer-promoted self-assembly process.","Chemical communications (Cambridge, England)","2018","54","72","10132","10135","10.1039/c8cc06283h","","x-ray","0.71073","MoKα","","0.0655","0.0447","","","0.0983","0.109","","","","","","1.118","","","","has coordinates","228414","2020-10-21","18:00:00",""
"7122142","7.7693","0.0013","12.582","0.002","15.723","0.003","90","","90","","90","","1537","0.5","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Wang, Peng-Zi; Yu, Xiao-Ye; Li, Chan-Yun; He, Bin-Qing; Chen, Jia-Rong; Xiao, Wen-Jing","A photocatalytic iminyl radical-mediated C-C bond cleavage/addition/cyclization cascade for the synthesis of 1,2,3,4-tetrahydrophenanthrenes.","Chemical communications (Cambridge, England)","2018","54","71","9925","9928","10.1039/c8cc06145a","","","0.71073","MoKα","","0.0621","0.0463","","","0.1123","0.1223","","","","","","1.045","","","","has coordinates","228280","2020-10-21","18:00:00",""
"7122148","5.6861","0.0004","7.4078","0.0005","28.14","0.002","90","","90","","90","","1185.3","0.14","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0638","0.0422","","","0.0819","0.0892","","","","","","1.036","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122149","5.7075","0.0007","7.6016","0.0007","28.125","0.003","90","","90","","90","","1220.2","0.2","310","2","310","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.148","0.0548","","","0.0909","0.1141","","","","","","0.997","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122150","5.7073","0.0006","7.5909","0.0007","28.133","0.003","90","","90","","90","","1218.8","0.2","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1434","0.0529","","","0.0879","0.11","","","","","","0.999","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122151","5.8843","0.0004","7.2086","0.0005","32.936","0.002","90","","90","","90","","1397.06","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0544","0.0396","","","0.0977","0.1078","","","","","","1.052","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122152","5.9264","0.0011","7.4922","0.0018","32.946","0.007","90","","90","","90","","1462.9","0.5","400","2","400","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1132","0.0437","","","0.0922","0.1219","","","","","","1.031","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122153","5.6915","0.0005","7.4628","0.0005","28.143","0.003","90","","90","","90","","1195.36","0.18","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.078","0.0434","","","0.0802","0.09","","","","","","1.041","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122154","5.9061","0.0003","7.3412","0.0005","32.9746","0.0019","90","","90","","90","","1429.71","0.15","250","2","250","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.081","0.0433","","","0.1058","0.1301","","","","","","0.996","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122155","5.8987","0.0003","7.2946","0.0005","32.966","0.002","90","","90","","90","","1418.48","0.15","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.072","0.0429","","","0.0953","0.1138","","","","","","1.071","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122156","5.709","0.0007","7.6146","0.0008","28.123","0.004","90","","90","","90","","1222.6","0.3","320","2","320","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1593","0.0529","","","0.0876","0.1105","","","","","","0.997","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122157","5.9146","0.0003","7.3912","0.0005","32.9799","0.0019","90","","90","","90","","1441.75","0.15","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0792","0.0418","","","0.0935","0.1156","","","","","","1.026","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122158","5.6838","0.0004","7.3834","0.0004","28.139","0.002","90","","90","","90","","1180.87","0.13","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0549","0.0404","","","0.0841","0.0892","","","","","","1.066","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122159","5.9244","0.0003","7.4427","0.0005","32.968","0.002","90","","90","","90","","1453.68","0.15","350","2","350","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0956","0.0447","","","0.1103","0.1414","","","","","","1.033","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122160","5.8912","0.0004","7.2496","0.0005","32.95","0.002","90","","90","","90","","1407.26","0.16","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0632","0.0417","","","0.0965","0.1145","","","","","","1.063","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122161","5.6883","0.0004","7.4343","0.0005","28.14","0.002","90","","90","","90","","1190","0.14","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.068","0.0431","","","0.0851","0.0933","","","","","","1.03","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122162","5.6944","0.0005","7.4936","0.0006","28.143","0.003","90","","90","","90","","1200.91","0.19","210","2","210","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.0921","0.0474","","","0.0872","0.0996","","","","","","1.033","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122163","5.6982","0.0005","7.5247","0.0006","28.143","0.003","90","","90","","90","","1206.69","0.19","240","2","240","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1079","0.0496","","","0.0892","0.1041","","","","","","1.018","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122164","5.7113","0.0007","7.6398","0.0009","28.117","0.004","90","","90","","90","","1226.8","0.3","340","2","340","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1785","0.0534","","","0.0905","0.1198","","","","","","0.98","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122165","5.7113","0.0007","7.6271","0.0008","28.122","0.004","90","","90","","90","","1225","0.3","330","2","330","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1677","0.0541","","","0.0883","0.1132","","","","","","0.997","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122166","5.713","0.0008","7.6527","0.0009","28.116","0.004","90","","90","","90","","1229.2","0.3","350","2","350","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.184","0.053","","","0.0866","0.1139","","","","","","0.983","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122167","5.7057","0.0005","7.5595","0.0006","28.152","0.003","90","","90","","90","","1214.26","0.19","270","2","270","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Negi, Lalita; Shrivastava, Ashutosh; Das, Dinabandhu","Switching from positive to negative axial thermal expansion in two organic crystalline compounds with similar packing.","Chemical communications (Cambridge, England)","2018","54","76","10675","10678","10.1039/c8cc05859h","","","0.71073","MoKα","","0.1236","0.0498","","","0.086","0.1053","","","","","","1.007","","","","has coordinates","228140","2020-10-21","18:00:00",""
"7122198","8.2183","0.0005","12.5178","0.0007","28.0079","0.0016","90","","90","","90","","2881.3","0.3","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 Cl3 O5 Si -","- C25 H35 Cl3 O5 Si -","- C100 H140 Cl12 O20 Si4 -","4","1","","Kobayashi, Toyoharu; Tanaka, Konomi; Ishida, Masako; Yamakita, Natsumi; Abe, Hideki; Ito, Hisanaka","Asymmetric total synthesis of pleurospiroketals A and B.","Chemical communications (Cambridge, England)","2018","54","73","10316","10319","10.1039/c8cc06185h","","","0.71073","MoKα","","0.0335","0.0298","","","0.0613","0.0634","","","","","","1.029","","","","has coordinates","228046","2020-10-21","18:00:00",""
"7122199","9.883","0.004","10.008","0.004","15.166","0.006","90","","90","","90","","1500.1","1","90","","90","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Kobayashi, Toyoharu; Tanaka, Konomi; Ishida, Masako; Yamakita, Natsumi; Abe, Hideki; Ito, Hisanaka","Asymmetric total synthesis of pleurospiroketals A and B.","Chemical communications (Cambridge, England)","2018","54","73","10316","10319","10.1039/c8cc06185h","","","0.71073","MoKα","","0.0452","0.0417","","","0.1062","0.1089","","","","","","1.027","","","","has coordinates","228046","2020-10-21","18:00:00",""
"7122207","10.0581","0.0011","11.341","0.0012","17.3605","0.0019","90","","90","","90","","1980.3","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br F N O2 S -","- C22 H17 Br F N O2 S -","- C88 H68 Br4 F4 N4 O8 S4 -","4","1","","Fan, Xing; Wang, Qiang; Wei, Yin; Shi, Min","Catalyst-free geminal aminofluorination of ortho-sulfonamide-tethered alkylidenecyclopropanes via a Wagner-Meerwein rearrangement.","Chemical communications (Cambridge, England)","2018","54","74","10503","10506","10.1039/c8cc05634j","","","0.71073","MoKα","","0.0541","0.0399","","","0.0839","0.0894","","","","","","1.001","","","","has coordinates","228203","2020-10-21","18:00:00",""
"7122242","5.9134","0.0005","7.7193","0.0007","31.935","0.002","90","","90","","90","","1457.7","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Baglai, Iaroslav; Leeman, Michel; Wurst, Klaus; Kaptein, Bernard; Kellogg, Richard M.; Noorduin, Willem L.","The Strecker reaction coupled to Viedma ripening: a simple route to highly hindered enantiomerically pure amino acids.","Chemical communications (Cambridge, England)","2018","54","77","10832","10834","10.1039/c8cc06658b","","","0.71073","MoKα","","0.037","0.0308","","","0.0714","0.0738","","","","","","1.066","","","","has coordinates","228063","2020-10-21","18:00:00",""
"7122243","5.9479","0.0005","12.3654","0.0011","21.1408","0.0018","90","","90","","90","","1554.9","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Baglai, Iaroslav; Leeman, Michel; Wurst, Klaus; Kaptein, Bernard; Kellogg, Richard M.; Noorduin, Willem L.","The Strecker reaction coupled to Viedma ripening: a simple route to highly hindered enantiomerically pure amino acids.","Chemical communications (Cambridge, England)","2018","54","77","10832","10834","10.1039/c8cc06658b","","","0.71073","MoKα","","0.0352","0.0299","","","0.0708","0.073","","","","","","1.069","","","","has coordinates","228063","2020-10-21","18:00:00",""
"7122244","6.4325","0.0003","15.1525","0.0007","15.7404","0.0007","90","","90","","90","","1534.19","0.12","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 F N2 -","- C19 H21 F N2 -","- C76 H84 F4 N8 -","4","1","","Baglai, Iaroslav; Leeman, Michel; Wurst, Klaus; Kaptein, Bernard; Kellogg, Richard M.; Noorduin, Willem L.","The Strecker reaction coupled to Viedma ripening: a simple route to highly hindered enantiomerically pure amino acids.","Chemical communications (Cambridge, England)","2018","54","77","10832","10834","10.1039/c8cc06658b","","","0.71073","MoKα","","0.0327","0.0293","","","0.0683","0.0699","","","","","","1.11","","","","has coordinates","228063","2020-10-21","18:00:00",""
"7122247","10.0265","0.0001","12.7798","0.0001","25.9558","0.0003","90","","90","","90","","3325.89","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H50 Si -","- C38 H50 Si -","- C152 H200 Si4 -","4","1","","Buffet, Jean-Charles; Turner, Zoë R; O'Hare, Dermot","Popcorn-shaped polyethylene synthesised using highly active supported permethylindenyl metallocene catalyst systems.","Chemical communications (Cambridge, England)","2018","54","78","10970","10973","10.1039/c8cc05350b","","","0.71073","MoKα","","0.0563","0.0445","","0.1161","0.1033","0.1161","","","","","","0.9099","","","","has coordinates","227994","2020-10-21","18:00:00",""
"7122262","7.1378","0.001","16.682","0.002","20.056","0.003","90","","90","","90","","2388.1","0.6","180.45","","180.45","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 Cl2 N2 O2 -","- C29 H22 Cl2 N2 O2 -","- C116 H88 Cl8 N8 O8 -","4","1","","Niklas, Julie E.; Hardy, Emily E.; Gorden, Anne E. V.","Solid-state structural elucidation and electrochemical analysis of uranyl naphthylsalophen.","Chemical communications (Cambridge, England)","2018","54","83","11693","11696","10.1039/c8cc05242e","","","0.71073","MoKα","","0.0869","0.0556","","","0.1167","0.1284","","","","","","1.0365","","","","has coordinates","228096","2020-10-21","18:00:00",""
"7122314","8.139","0.0005","15.8253","0.001","17.185","0.0017","90","","90","","90","","2213.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O5 -","- C25 H25 N O5 -","- C100 H100 N4 O20 -","4","1","","Bedekar, Ashutosh; Khanvilkar, Aditya N.","Optically pure 2-(quinolin-8-yloxy)cyclohexan-1-ol as a practical agent for molecular recognition by NMR and fluorescence spectroscopy","Chemical Communications","2018","","","","","10.1039/C8CC06245E","","x-ray","0.71073","MoKα","","0.1027","0.0546","","","0.083","0.0947","","","","","","0.9863","","","","has coordinates","210544","2020-10-21","18:00:00",""
"7122322","15.27587","0.00013","24.1176","0.0002","37.3535","0.0003","90","","90","","90","","13761.7","0.2","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C139 H145 Cl3 O3 Si3 -","- C139 H145 Cl3 O3 Si3 -","- C556 H580 Cl12 O12 Si12 -","4","1","","Shimizu, Yuki; Shoji, Yoshiaki; Hashizume, Daisuke; Nagata, Yuuya; Fukushima, Takanori","Sensing the chirality of various organic solvents by helically arranged π-blades.","Chemical communications (Cambridge, England)","2018","54","87","12314","12317","10.1039/c8cc06277c","","","0.71073","MoKα","","0.047","0.0398","","","0.0979","0.1016","","","","","","1.025","","","","has coordinates,has disorder","228612","2020-10-21","18:00:00",""
"7122355","9.4592","0.0004","18.0502","0.0007","20.2671","0.0008","90","","90","","90","","3460.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Co N2 O2 -","- C22 H17 Co N2 O2 -","- C176 H136 Co8 N16 O16 -","8","2","","Hickson, James R.; Horsewill, Samuel J.; McGuire, Jake; Wilson, Claire; Sproules, Stephen; Farnaby, Joy H.","The semiquinone radical anion of 1,10-phenanthroline-5,6-dione: synthesis and rare earth coordination chemistry.","Chemical communications (Cambridge, England)","2018","54","80","11284","11287","10.1039/c8cc05591b","","x-ray","1.54184","CuKα","","0.0834","0.0566","","","0.134","0.1515","","","","","","1.019","","","","has coordinates","228364","2020-10-21","18:00:00",""
"7122444","5.12044","0.00005","14.66642","0.00014","16.34735","0.00015","90","","90","","90","","1227.66","0.02","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C52 H60 N4 O20 -","4","1","","Luo, Zhonghua; Sun, Guodong; Zhou, Zihong; Liu, Guozhu; Luan, Baolei; Lin, Yicao; Zhang, Lei; Wang, Zhongqing","Stereogenic cis-2-substituted-N-acetyl-3-hydroxy-indolines via ruthenium(ii)-catalyzed dynamic kinetic resolution-asymmetric transfer hydrogenation.","Chemical communications (Cambridge, England)","2018","54","96","13503","13506","10.1039/c8cc07336h","","","1.54184","CuKα","","0.03","0.0296","","","0.0775","0.0779","","","","","","1.071","","","","has coordinates","228581","2020-10-21","18:00:00",""
"7122452","7.9924","0.0002","15.6376","0.0005","33.0811","0.0013","90","","90","","90","","4134.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Br P -","- C24 H26 Br P -","- C192 H208 Br8 P8 -","8","2","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","A convenient route to internally phosphane-stabilized aryltriborane(7) compounds.","Chemical communications (Cambridge, England)","2018","54","89","12606","12609","10.1039/c8cc06728g","","","0.71073","MoKα","","0.0998","0.0712","","","0.1291","0.146","","","","","","1.13","","","","has coordinates","228270","2020-10-21","18:00:00",""
"7122454","6.5952","0.0003","8.1944","0.0003","34.4405","0.0011","90","","90","","90","","1861.29","0.12","294.2","0.2","294.2","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 I N3 O2 -","- C18 H20 I N3 O2 -","- C72 H80 I4 N12 O8 -","4","1","","Zhang, Hang; Yao, Qian; Cao, Weidi; Ge, Shulin; Xu, Jinxiu; Liu, Xiaohua; Feng, Xiaoming","Catalytic enantioselective ene-type reactions of vinylogous hydrazone: construction of α-methylene-γ-butyrolactone derivatives.","Chemical communications (Cambridge, England)","2018","54","88","12511","12514","10.1039/c8cc07567k","","x-ray","1.54184","CuKα","","0.0779","0.0722","","","0.1912","0.2003","","","","","","1.02","","","","has coordinates","228198","2020-10-21","18:00:00",""
"7122487","7.3307","0.0004","20.5418","0.0009","8.597","0.0004","90","","90","","90","","1294.59","0.11","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R-(-)-2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Pańczyk, Katarzyna; Żelaszczyk, Dorota; Koczurkiewicz, Paulina; Słoczyńska, Karolina; Pękala, Elżbieta; Żesławska, Ewa; Nitek, Wojciech; Żmudzki, Paweł; Marona, Henryk; Waszkielewicz, Anna","Synthesis and anticonvulsant activity of phenoxyacetyl derivatives of amines, including aminoalkanols and amino acids.","MedChemComm","2018","9","11","1933","1948","10.1039/c8md00430g","","x-ray","1.54184","CuKα","","0.0968","0.0952","","","0.237","0.2388","","","","","","1.073","","","","has coordinates","230139","2020-10-21","18:00:00",""
"7122489","7.3182","0.0008","20.524","0.002","8.5965","0.0012","90","","90","","90","","1291.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","S-(+)-2-(2,6-dimethylphenoxy)-N-(1-hydroxypropan-2-yl)acetamide","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Pańczyk, Katarzyna; Żelaszczyk, Dorota; Koczurkiewicz, Paulina; Słoczyńska, Karolina; Pękala, Elżbieta; Żesławska, Ewa; Nitek, Wojciech; Żmudzki, Paweł; Marona, Henryk; Waszkielewicz, Anna","Synthesis and anticonvulsant activity of phenoxyacetyl derivatives of amines, including aminoalkanols and amino acids.","MedChemComm","2018","9","11","1933","1948","10.1039/c8md00430g","","","1.5418","CuKα","","0.0998","0.0913","","","0.2315","0.2408","","","","","","1.076","","","","has coordinates","230139","2020-10-21","18:00:00",""
"7122519","8.2861","0.001","9.8316","0.001","18.092","0.002","90","","90","","90","","1473.9","0.3","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-D-glycero-D-ido-heptono-1,4-lactone","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.1383","0.1193","","","0.237","0.268","","","","","","1.09","","","","has coordinates","230142","2020-10-21","18:00:00",""
"7122520","8.1993","0.0002","9.5498","0.0002","18.6176","0.0004","90","","90","","90","","1457.79","0.06","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-L-glycero-D-ido-heptono-1,4-lactone","3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-L-glycero-D-ido-heptono-1,4-lactone","","- C15 H18 O5 -","- C15 H18 O5 -","- C60 H72 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.1089","0.0973","","","0.1872","0.2007","","","","","","1.17","","","","has coordinates","230142","2020-10-21","18:00:00",""
"7122521","4.674","0.0002","12.9175","0.0007","21.3349","0.0007","90","","90","","90","","1288.12","0.1","295","2","295","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","3,6-Anhydro-2-deoxy-5-O-methyl-7-C-phenyl-D-ido-hept-7-ulosono-1,4-lactone","3,6-Anhydro-2-deoxy-5-O-methyl-7-C-phenyl-D-ido-hept-7-ulosono-1,4-lactone","","- C14 H14 O5 -","- C14 H14 O5 -","- C56 H56 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0632","0.0429","","","0.0953","0.1058","","","","","","1.032","","","","has coordinates","230142","2020-10-21","18:00:00",""
"7122522","8.8306","0.0003","10.0761","0.0003","17.1204","0.0006","90","","90","","90","","1523.34","0.09","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-β-L-ido-pentofuranose","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-β-L-ido-pentofuranose","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0425","0.0362","","","0.0849","0.0888","","","","","","1.047","","","","has coordinates","230142","2020-10-21","18:00:00",""
"7122524","11.0585","0.0004","11.4256","0.0003","11.8876","0.0004","90","","90","","90","","1502","0.08","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-α-D-gluco-pentofuranose","1,2-O-isopropylidene-3-O-methyl-5-C-phenil-α-D-gluco-pentofuranose","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Francuz, Jovana; Popsavin, Mirjana; Djokić, Sanja; Kojić, Vesna; Srdić-Rajić, Tatjana; Rodić, Marko V; Jakimov, Dimitar; Popsavin, Velimir","Novel <i>O</i>-methyl goniofufurone and 7-<i>epi</i>-goniofufurone derivatives: synthesis, <i>in vitro</i> cytotoxicity and SAR analysis.","MedChemComm","2018","9","12","2017","2027","10.1039/c8md00431e","","x-ray","0.71073","MoKα","","0.0419","0.0389","","","0.096","0.0977","","","","","","1.087","","","","has coordinates","230142","2020-10-21","18:00:00",""
"7122529","7.92466","0.00018","11.5149","0.0003","19.0209","0.0006","90","","90","","90","","1735.69","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Yuan, Tingting; Pi, Chao; You, Chang; Cui, Xiuling; Du, Sidong; Wan, Ting; Wu, Yangjie","Rapid Assembly of Cyclopentene Spiroisoindolinones via Rhodium-Catalysed Redox-Neutral Cascade Reaction","Chemical Communications","2018","","","","","10.1039/C8CC08081J","","x-ray","1.54184","CuKα","","0.0826","0.071","","","0.1928","0.2066","","","","","","1.035","","","","has coordinates,has disorder","211707","2020-10-21","18:00:00",""
"7122538","10.4038","0.0004","20.5233","0.0006","37.6117","0.0011","90","","90","","90","","8030.9","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Cl N2 O4 -","- C20 H21 Cl N2 O4 -","- C320 H336 Cl16 N32 O64 -","16","4","","Du, Juan; Jiang, Yang-Jie; Suo, Jia-Jia; Wu, Wen-Qiong; Liu, Xiu-Yan; Chen, Di; Ding, Chang-Hua; Wei, Yin; Hou, Xue-Long","Trisubstituted alkenes with a single activator as dipolarophiles in a highly diastereo- and enantioselective [3+2] cycloaddition with vinyl epoxides under Pd-catalysis.","Chemical communications (Cambridge, England)","2018","54","93","13143","13146","10.1039/c8cc07996j","","","0.71073","MoKα","","0.0995","0.0494","","","0.1215","0.1509","","","","","","1.009","","","","has coordinates","228132","2020-10-21","18:00:00",""
"7122539","10.2614","0.001","21.747","0.002","40.341","0.004","90","","90","","90","","9002.3","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23.4 Br N O2 -","- C17 H23.4 Br N O2 -","- C340 H468 Br20 N20 O40 -","20","5","","Du, Juan; Jiang, Yang-Jie; Suo, Jia-Jia; Wu, Wen-Qiong; Liu, Xiu-Yan; Chen, Di; Ding, Chang-Hua; Wei, Yin; Hou, Xue-Long","Trisubstituted alkenes with a single activator as dipolarophiles in a highly diastereo- and enantioselective [3+2] cycloaddition with vinyl epoxides under Pd-catalysis.","Chemical communications (Cambridge, England)","2018","54","93","13143","13146","10.1039/c8cc07996j","","","0.71073","MoKα","","0.1936","0.0558","","","0.117","0.1641","","","","","","0.939","","","","has coordinates","228132","2020-10-21","18:00:00",""
"7122561","8.2292","0.0012","12.3415","0.0018","17.181","0.003","90","","90","","90","","1744.9","0.5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O3 S -","- C18 H18 N2 O3 S -","- C72 H72 N8 O12 S4 -","4","1","","Lu, Yi-Nan; Lan, Jin-Ping; Mao, Yu-Jia; Wang, Ye-Xin; Mei, Guang-Jian; Shi, Feng","Catalytic asymmetric de novo construction of dihydroquinazolinone scaffolds via enantioselective decarboxylative [4+2] cycloadditions.","Chemical communications (Cambridge, England)","2018","54","96","13527","13530","10.1039/c8cc08282k","","","0.71073","MoKα","","0.0472","0.0403","","","0.0981","0.1025","","","","","","1.027","","","","has coordinates","228582","2020-10-21","18:00:00",""
"7122584","10.598","0.005","11.469","0.005","12.275","0.005","90","","90","","90","","1492","1.1","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Ma, Yujie; Li, Jing; Ye, Jianxun; Liu, Delong; Zhang, Wanbin","Synthesis of chiral chromanols via a RuPHOX-Ru catalyzed asymmetric hydrogenation of chromones.","Chemical communications (Cambridge, England)","2018","54","96","13571","13574","10.1039/c8cc07787h","","","1.54178","CuKα","","0.0897","0.0715","","","0.1817","0.1978","","","","","","1.237","","","","has coordinates","228578","2020-10-21","18:00:00",""
"7122633","10.4148","0.0015","10.5315","0.0009","15.0526","0.0018","90","","90","","90","","1651","0.3","293","2","293","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","unk","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Roy, Subhra Kanti; Tiwari, Anuj; Saleem, Mohammed; Jana, Chandan K.","Metal free direct C(sp<sup>2</sup>)-H arylaminations using nitrosoarenes to 2-hydroxy-di(het)aryl amines as multifunctional Aβ-aggregation modulators.","Chemical communications (Cambridge, England)","2018","54","100","14081","14084","10.1039/c8cc08470j","","x-ray","0.71073","MoKα","","0.1505","0.0669","","","0.0983","0.1412","","","","","","1.004","","","","has coordinates","228526","2020-10-21","18:00:00",""
"7122639","8.658","0.002","11.271","0.003","27.041","0.006","90","","90","","90","","2638.8","1.1","297.15","0.1","297.15","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16.5 H20 O0.5 -","- C16.5 H20 O0.5 -","- C132 H160 O4 -","8","2","","Xiao, Wen-Jing; Zhou, Quan-Quan; Düsel, Simon Josef; Lu, Liang-Qiu; König, Burkhard","Alkenylation of unactivated alkyl bromides through visible light photocatalysis","Chemical Communications","2018","","","","","10.1039/C8CC08362B","","","0.71073","MoKα","","0.096","0.0457","","","0.095","0.114","","","","","","0.948","","","","has coordinates","212181","2020-10-21","18:00:00",""
"7122641","9.1112","0.0004","11.0761","0.0004","18.401","0.0007","90","","90","","90","","1856.97","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Chen, Chao; Hao, Yu; Zhang, Ting-Yu; Pan, Jin-Long; Ding, Jun; Xiang, Heng-Ye; Wang, Man; Ding, Tong-Mei; Duan, Abing; Zhang, Shuyu","Computational and Experimental Studies on Copper-Mediated Selective Cascade C-H/N-H Annulation of Electron-Deficient Acrylamide with Arynes","Chemical Communications","2018","","","","","10.1039/C8CC08708C","","","1.54178","CuKα","","0.0611","0.0421","","","0.0966","0.106","","","","","","1.023","","","","has coordinates","212183","2020-10-21","18:00:00",""
"7122678","9.5727","0.0001","15.8631","0.0002","17.8255","0.0002","90","","90","","90","","2706.85","0.05","100","0.3","100","0.3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N4 O2 -","- C32 H32 N4 O2 -","- C128 H128 N16 O8 -","4","1","","Qurban, Saira; Du, Yu; Gong, Jun; Lin, Shao-Xia; Kang, Qiang","Enantioselective Synthesis of Tetrahydroisoquinoline Derivatives via Chiral-at-Metal Rhodium Complex Catalyzed [3+2] Cycloaddition","Chemical Communications","2018","","","","","10.1039/C8CC08275H","","","1.54184","CuKα","","0.0301","0.0284","","","0.0712","0.0726","","","","","","1.043","","","","has coordinates","212282","2020-10-21","18:00:00",""
"7122695","8.2742","0.0016","10.476","0.002","18.592","0.004","90","","90","","90","","1611.6","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F3 N O4 -","- C17 H14 F3 N O4 -","- C68 H56 F12 N4 O16 -","4","1","","Xie, Lihua; Dong, Shunxi; Zhang, Qian; Feng, Xiaoming; Liu, Xiaohua","Asymmetric construction of dihydrobenzofuran-2,5-dione derivatives via desymmetrization of p-quinols with azlactones","Chemical Communications","2018","","","","","10.1039/C8CC08985J","","","1.54178","CuKα","","0.0247","0.0244","","","0.0653","0.0656","","","","","","0.714","","","","has coordinates","212359","2020-10-21","18:00:00",""
"7122696","6.8827","0.0001","7.7881","0.0001","36.94","0.0005","90","","90","","90","","1980.1","0.05","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 F3 N O5 -","- C23 H18 F3 N O5 -","- C92 H72 F12 N4 O20 -","4","1","","Xie, Lihua; Dong, Shunxi; Zhang, Qian; Feng, Xiaoming; Liu, Xiaohua","Asymmetric construction of dihydrobenzofuran-2,5-dione derivatives via desymmetrization of p-quinols with azlactones","Chemical Communications","2018","","","","","10.1039/C8CC08985J","","","1.54178","CuKα","","0.024","0.0237","","","0.0597","0.0599","","","","","","1.049","","","","has coordinates","212359","2020-10-21","18:00:00",""
"7122697","20.6886","0.0006","21.2747","0.0005","21.4491","0.0007","90","","90","","90","","9440.7","0.5","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H99 B N8 O2 -","- C76 H99 B N8 O2 -","- C304 H396 B4 N32 O8 -","4","1","","Xie, Lihua; Dong, Shunxi; Zhang, Qian; Feng, Xiaoming; Liu, Xiaohua","Asymmetric construction of dihydrobenzofuran-2,5-dione derivatives via desymmetrization of p-quinols with azlactones","Chemical Communications","2018","","","","","10.1039/C8CC08985J","","","1.54178","CuKα","","0.1186","0.095","","","0.2222","0.2388","","","","","","0.954","","","","has coordinates","212359","2020-10-21","18:00:00",""
"7122739","17.656","0.007","24.127","0.009","24.239","0.009","90","","90","","90","","10325","7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C115.5 H110 Cl3 N7 O8 -","- C115.5 H107 Cl3 N7 O8 -","- C462 H428 Cl12 N28 O32 -","4","1","","Maeda, Chihiro; Ogawa, Kanae; Sadanaga, Kosuke; Takaishi, Kazuto; Ema, Tadashi","Chiroptical and catalytic properties of doubly binaphthyl-strapped chiral porphyrins","Chemical Communications","2018","","","","","10.1039/C8CC09114E","","","1.54187","CuKα","","0.165","0.097","","","0.2552","0.313","","","","","","1.077","","","","has coordinates,has disorder","212596","2020-10-21","18:00:00",""
"7122742","7.436","0.007","13.238","0.012","25.73","0.02","90","","90","","90","","2533","4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Br N3 O5 -","- C25 H26 Br N3 O5 -","- C100 H104 Br4 N12 O20 -","4","1","","Suga, Hiroyuki; Yoshiwara, Masahiro; Yamaguchi, Takaaki; Bando, Takashi; Taguchi, Mizuki; Inaba, Ayano; Goto, Yuichi; Kikuchi, Ayaka; Itoh, Kennosuke; Toda, Yasunori","Enantioselective synthesis of 8-azabicyclo[3.2.1]octanes via asymmetric 1,3-dipolar cycloadditions of cyclic azomethine ylides using a dual catalytic system","Chemical Communications","2019","","","","","10.1039/C8CC09224A","","","0.71073","MoKα","","0.0752","0.0454","","","0.1065","0.1239","","","","","","1.018","","","","has coordinates","212641","2020-10-21","18:00:00",""
"7122814","7.8782","0.0019","10.747","0.003","35.997","0.008","90","","90","","90","","3047.8","1.3","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 N2 O7 S -","- C31 H34 N2 O7 S -","- C124 H136 N8 O28 S4 -","4","1","","Sun, Meng; Wan, Xiao; Zhou, Si-Jia; Mei, Guang-Jian; Shi, Feng","Iridium and a Brønsted acid cooperatively catalyzed chemodivergent and stereoselective reactions of vinyl benzoxazinones with azlactones.","Chemical communications (Cambridge, England)","2019","","","","","10.1039/c8cc08962k","","","0.71073","MoKα","","0.078","0.0565","","","0.1332","0.1412","","","","","","1.081","","","","has coordinates","213024","2020-10-21","18:00:00",""
"7122832","8.5632","0.0003","11.0014","0.0005","16.3358","0.0005","90","","90","","90","","1538.95","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H9 F4 Fe N O2 -","- C18 H9 F4 Fe N O2 -","- C72 H36 F16 Fe4 N4 O8 -","4","1","","Garçon, Martí; Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard","Unravelling Nucleophilic Aromatic Substitution Pathways with Bimetallic Nucleophiles","Chemical Communications","2019","","","","","10.1039/C8CC09701A","","","0.71073","MoKα","","0.0313","0.0275","","","0.0612","0.0637","","","","","","1.047","","","","has coordinates","213052","2020-10-21","18:00:00",""
"7122856","9.045","0.003","18.898","0.006","10.068","0.003","90","","90","","90","","1720.9","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 I N2 -","- C16 H29 I N2 -","- C64 H116 I4 N8 -","4","1","","Zhang, Chuanqi; Xu, Li; Li, Xinzhu; Hu, Jibo; Zhu, Liangkui; Li, Yan; Jiang, Jiuxing; Wang, Zhendong; Yang, Weimin","A Simple Matrine Derivative for the Facile Syntheses of Mesoporous Zeolites ITQ-37 and ITQ-43","Chemical Communications","2019","","","","","10.1039/C8CC08196D","","","0.71073","MoKα","","0.0952","0.0567","","","0.1042","0.1202","","","","","","1.083","","","","has coordinates","213168","2020-10-21","18:00:00",""
"7122895","9.1331","0.0004","10.0289","0.0005","40.907","0.002","90","","90","","90","","3746.9","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl4 N O S -","- C17 H17 Cl4 N O S -","- C136 H136 Cl32 N8 O8 S8 -","8","2","","Huang, Xin; Zhao, Weizhao; Chen, De-Li; Zhan, Yaling; Zeng, Tingting; Jin, Huiquan; Peng, Bo","Benzyne-Mediated Trichloromethylation of Chiral Oxazolines","Chemical Communications","2019","","","","","10.1039/C9CC00557A","","","0.71073","MoKα","","0.0324","0.0314","","","0.0666","0.0667","","","","","","3.524","","","","has coordinates","213302","2020-10-21","18:00:00",""
"7122985","13.4152","0.001","16.717","0.0012","20.243","0.0016","90","","90","","90","","4539.7","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H71 B Mg N4 O -","- C51 H71 B Mg N4 O -","- C204 H284 B4 Mg4 N16 O4 -","4","1","","Okuda, Jun; Lemmerz, Lara E.; Mukherjee, Debabrata; Spaniol, Thomas Paul; Laurent, Maron; Menard, Gabriel; Wong, Anthony","Cationic Magnesium Hydride [MgH]+ Stabilized by an NNNN-Type Macrocycle","Chemical Communications","2019","","","","","10.1039/C9CC00490D","","","0.71073","MoKα","","0.0597","0.0521","","","0.1285","0.1341","","","","","","1.063","","","","has coordinates","213644","2020-10-21","18:00:00",""
"7122992","17.093","0.003","15.955","0.002","10.358","0.002","90","","90","","90","","2824.8","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 N3 P -","- C31 H42 N3 P -","- C124 H168 N12 P4 -","4","1","","Fernández-Galán, Rafael; Ramos, Alberto; Huergo, Estefanía; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; Rodríguez-Diéguez, Antonio; García-Vivó, Daniel","Unusual ligand rearrangement: from N-phosphinoguanidinato to phosphinimine-amidinato compounds","Chemical Communications","2019","","","","","10.1039/C9CC00432G","","","0.71069","MoKα","","0.0515","0.0388","","","0.0764","0.0805","","","","","","1.063","","","","has coordinates","213645","2020-10-21","18:00:00",""
"7123014","14.988","0.002","26.707","0.004","27.946","0.004","90","","90","","90","","11186","3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C105 H143 N7 O40 -","- C105 H133 N7 O40 -","- C420 H532 N28 O160 -","4","1","","Nakamura, Takashi; Yonemura, Sota; Nabeshima, Tatsuya","Synthesis of per(5-N-carboxamide-5-dehydroxylmethyl)-β-cyclodextrins and their selective recognition ability utilizing multiple hydrogen bonds","Chemical Communications","2019","","","","","10.1039/C9CC00517J","","","0.71073","MoKα","","0.0961","0.0619","","","0.156","0.1745","","","","","","1.144","","","","has coordinates","213710","2020-10-21","18:00:00",""
"7123047","16.8393","0.0017","20.715","0.002","26.283","0.003","90","","90","","90","","9168.2","1.7","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C70 H96 Au4 Cu2 N8 O28 P4 Pd2 S4 -","- C70 H80 Au4 Cu2 N8 O28 P4 Pd2 S4 -","- C280 H320 Au16 Cu8 N32 O112 P16 Pd8 S16 -","4","1","","Ohwaki, Hayato; Yoshinari, Nobuto; Konno, Takumi","Crystal-to-crystal interconversion of open and closed dicopper(II) paddle-wheels in a heterotrimetallic coordination polymer","Chemical Communications","2019","","","","","10.1039/C9CC00152B","","","0.7002","synchrotron","","0.1399","0.0807","","","0.1458","0.1742","","","","","","0.924","","","","has coordinates","213836","2020-10-21","18:00:00",""
"7123100","8.5013","0.0008","12.0985","0.0012","15.0956","0.0017","90","","90","","90","","1552.6","0.3","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O S2 -","- C14 H21 N O S2 -","- C56 H84 N4 O4 S8 -","4","1","","Reddy, Leleti Rajender; Yogesh, Waman; Kallure, Priya; Swamy, Kumara; Begum, Zubeda; thumbar, Divya; Sharadsrikar, Kotturi","Asymmetric Synthesis of 1-Substituted 2-Azaspiro[3.3]heptanes: An Important Motifs for Modern Drug Discovery.","Chemical Communications","2019","","","","","10.1039/C9CC00863B","","","0.71073","MoKα","","0.0362","0.0341","","","0.0918","0.0944","","","","","","1.074","","","","has coordinates,has disorder","214040","2020-10-21","18:00:00",""
"7123115","8.2195","0.0002","11.0955","0.0003","18.8126","0.0005","90","","90","","90","","1715.7","0.08","180","","180","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(6R,7R,8aR)-6-(Furan-3-ylmethyl)-10-(methoxymethyl)-7-(prop-1-en-2-yl)tetrahydro-1H-6,8a-(epiminomethano)indolizine-5,9(6H)-dione","","- C19 H24 N2 O4 -","- C19 H24 N2 O4 -","- C76 H96 N8 O16 -","4","1","","Dokli, Irena; Pohl, Radek; Klepetářová, Blanka; Jahn, Ullrich","First Total Synthesis of ent-Asperparaline C and Assignment of the Absolute Configuration of Asperparaline C","Chemical Communications","2019","","","","","10.1039/C9CC00945K","","x-ray","1.54178","CuKα","","0.0255","0.0247","","0.0291","0.0271","0.0271","","","","","","1.0732","","","","has coordinates","214050","2020-10-21","18:00:00",""
"7123119","7.3295","0.0001","15.2508","0.0002","20.5674","0.0002","90","","90","","90","","2299.04","0.05","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O3 -","- C26 H29 N O3 -","- C104 H116 N4 O12 -","4","1","","Huang, Hanmin; Wang, Wenhui","Palladium-Catalyzed Formal Insertion of Carbenoids into N,O-Aminals: Direct Access to α-Alkoxy-β-Amino Acid Esters","Chemical Communications","2019","","","","","10.1039/C9CC01374A","","","1.54184","CuKα","","0.0312","0.0299","","","0.0876","0.0893","","","","","","1.026","","","","has coordinates","214052","2020-10-21","18:00:00",""
"7123135","9.7314","0.0004","11.3674","0.0005","29.2938","0.0012","90","","90","","90","","3240.5","0.2","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 N3 O2 S -","- C38 H41 N3 O2 S -","- C152 H164 N12 O8 S4 -","4","1","","Shi, Min; Zhang, Yan-Yan; Wei, Yin","Gold(I)-Catalyzed Enantioselective Synthesis of Polycyclic Indoline Skeletons and Enantiomerically Enriched β-Substituted Tryptamine-Allenes by Kinetic Resolution","Chemical Communications","2019","","","","","10.1039/C9CC00412B","","","1.34139","GaKα","","0.0552","0.0459","","","0.1111","0.1186","","","","","","1.066","","","","has coordinates","214109","2020-10-21","18:00:00",""
"7123137","9.8259","0.0006","12.3491","0.0008","13.819","0.0009","90","","90","","90","","1676.81","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O -","- C22 H17 N O -","- C88 H68 N4 O4 -","4","1","","Wu, Binjie; Yang, Zi; Zhang, Hong; Wang, Lianhui; Cui, Xiuling","Synthesis of polysubstituted 3-aminoindenes via rhodium-catalysed [3 + 2] cascade annulations of benzimidates with alkenes","Chemical Communications","2019","","","","","10.1039/C9CC00567F","","x-ray","1.54184","CuKα","","0.0477","0.0404","","","0.0944","0.1006","","","","","","1.043","","","","has coordinates","214110","2020-10-21","18:00:00",""
"7123147","10.35275","0.00017","12.5835","0.0002","15.0399","0.0003","90","","90","","90","","1959.31","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Br O4 -","- C22 H21 Br O4 -","- C88 H84 Br4 O16 -","4","1","","Zeng, Zhixiong; Zhao, Yifan; Zhang, Yandong","Divergent Total Syntheses of Five Illudalane Sesquiterpenes and Assignment of the Absolute Configuration","Chemical Communications","2019","","","","","10.1039/C9CC00933G","","x-ray","1.54184","CuKα","","0.0321","0.0313","","","0.0834","0.0848","","","","","","1.054","","","","has coordinates","214133","2020-10-21","18:00:00",""
"7123178","10.0539","0.0009","10.6527","0.001","14.9435","0.0014","90","","90","","90","","1600.5","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NDS-301","1-(3-fluorobenzyl)-2-isopropyl-1H-benzo[d]imidazole-5-carboxylic acid","","- C18 H17 F N2 O2 -","- C18 H17 F N2 O2 -","- C72 H68 F4 N8 O8 -","4","1","","Sitwala, Nikum D.; Vyas, Vivek K.; Gedia, Piyush; Patel, Kinjal; Bouzeyen, Rania; Kidwai, Saqib; Singh, Ramandeep; Ghate, Manjunath D.","3D QSAR-based design and liquid phase combinatorial synthesis of 1,2-disubstituted benzimidazole-5-carboxylic acid and 3-substituted-5<i>H</i>-benzimidazo[1,2-<i>d</i>][1,4]benzodiazepin-6(7<i>H</i>)-one derivatives as anti-mycobacterial agents.","MedChemComm","2019","10","5","817","827","10.1039/c9md00006b","","","0.71075","MoKα","","","0.0453","","","","0.1269","","","","","","1.06","","","","has coordinates","224644","2020-10-21","18:00:00",""
"7123211","7.004","0.0014","14.206","0.003","22.139","0.005","90","","90","","90","","2202.8","0.8","298.15","","298.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 B Br Cl2 F2 N3 -","- C22 H17 B Br Cl2 F2 N3 -","- C88 H68 B4 Br4 Cl8 F8 N12 -","4","1","","Tang, Bing; Lv, Fan; Chen, Kangkang; Jiao, Lijuan; Liu, Qingyun; Wang, Hua; Hao, Erhong","Development of BODIPY Dyes with Versatile Functional Groups at 3,5-Positions from Diacyl Peroxides via Cu(II)-Catalyzed Radical Alkylation","Chemical Communications","2019","","","","","10.1039/C9CC01602C","","","0.71073","MoKα","","0.0985","0.0688","","","0.1477","0.1652","","","","","","1.139","","","","has coordinates","214348","2020-10-21","18:00:00",""
"7123259","8.5391","0.0004","11.0667","0.0005","16.9456","0.0009","90","","90","","90","","1601.35","0.13","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 O P S -","- C19 H17 O P S -","- C76 H68 O4 P4 S4 -","4","1","","Zheng, Ke; Li, Yujun; Yang, Qi; Yang, Liquan; Lei, Ning","Scalable, Electrochemical Dehydrogenative Cross-Coupling of P(O)H Compounds with RSH/ROH","Chemical Communications","2019","","","","","10.1039/C9CC01378D","","","0.71073","MoKα","","0.0439","0.0332","","","0.0808","0.0885","","","","","","1.008","","","","has coordinates","214477","2020-10-21","18:00:00",""
"7123280","7.8498","0.0002","13.1575","0.0004","13.3327","0.0004","90","","90","","90","","1377.05","0.07","107.9","0.5","107.9","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Wang, Zhonglei; Zu, Liansuo","Organocatalytic Enantioselective Direct Alkylation of Phloroglucinol Derivatives: Asymmetric Total Synthesis of (+)-Aflatoxin B2","Chemical Communications","2019","","","","","10.1039/C9CC01833F","","x-ray","1.54184","CuKα","","0.0358","0.0343","","","0.0872","0.0885","","","","","","1.039","","","","has coordinates","214541","2020-10-21","18:00:00",""
"7123309","6.0263","0.0005","16.968","0.0014","18.885","0.0016","90","","90","","90","","1931.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Cl N O2 -","- C24 H18 Cl N O2 -","- C96 H72 Cl4 N4 O8 -","4","1","","Bai, Xue-Dan; Zhang, Qing-Feng; He, Ying","Enantioselective iridium catalyzed α-alkylation of azlactones by a tandem asymmetric allylic alkylation/aza-Cope rearrangement","Chemical Communications","2019","","","","","10.1039/C9CC01450K","","","1.54178","CuKα","","0.0491","0.0475","","","0.1185","0.1205","","","","","","1.092","","","","has coordinates","214670","2020-10-21","18:00:00",""
"7123326","9.3124","0.0009","16.7999","0.0017","26.446","0.002","90","","90","","90","","4137.4","0.7","150","","150","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 Cl5 Ir N4 O2 -","- C42 H41 Cl5 Ir N4 O2 -","- C168 H164 Cl20 Ir4 N16 O8 -","4","1","","Basle, Olivier; Mauduit, Marc; Crassous, Jeanne; Favereau, Ludovic; Miqueu, Karinne; crevisy, C; Dorcet, Vincent; Roisnel, Thierry; Vivès, Thomas; Tarrieu, Robert; Pichon, Delphine; Manguin, Romane","A kinetic resolution strategy for the synthesis of chiral octahedral NHC-iridium(III) catalysts","Chemical Communications","2019","","","","","10.1039/C9CC02434D","","x-ray","0.71073","MoKα","","0.042","0.0413","","","0.1057","0.1061","","","","","","1.092","","","","has coordinates","214749","2020-10-21","18:00:00",""
"7123327","9.2852","0.0006","15.2175","0.0012","24.7997","0.0019","90","","90","","90","","3504.1","0.4","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Ir N4 O3 -","- C40 H41 Ir N4 O3 -","- C160 H164 Ir4 N16 O12 -","4","1","","Basle, Olivier; Mauduit, Marc; Crassous, Jeanne; Favereau, Ludovic; Miqueu, Karinne; crevisy, C; Dorcet, Vincent; Roisnel, Thierry; Vivès, Thomas; Tarrieu, Robert; Pichon, Delphine; Manguin, Romane","A kinetic resolution strategy for the synthesis of chiral octahedral NHC-iridium(III) catalysts","Chemical Communications","2019","","","","","10.1039/C9CC02434D","","x-ray","0.71073","MoKα","","0.0504","0.0346","","","0.0539","0.0578","","","","","","0.958","","","","has coordinates","214749","2020-10-21","18:00:00",""
"7123331","8.9265","0.0009","11.5664","0.0009","12.9594","0.0009","90","","90","","90","","1338.03","0.19","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","","Li, Wei; Wang, Guotong; Lai, Jixing; Li, Shengkun","Multifunctional Isoquinoline-Oxazolines Ligands of Chemical and Biological Importance","Chemical Communications","2019","","","","","10.1039/C9CC01790A","","x-ray","0.71073","MoKα","","0.0557","0.0459","","","0.0965","0.1034","","","","","","1.052","","","","has coordinates","214770","2020-10-21","18:00:00",""
"7123371","12.5684","0.0014","14.6714","0.0016","21.923","0.002","90","","90","","90","","4042.5","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H29 F2 N4 O6 Rh -","- C42 H29 F2 N4 O6 Rh -","- C168 H116 F8 N16 O24 Rh4 -","4","1","","Wang, Wei; Xia, Xiaohan; Bian, Guang-ling; Song, Ling","A Chiral Sensor for Recognition of Varied Amines Based on 19F NMR Signals of new designed Rhodium Complexes","Chemical Communications","2019","","","","","10.1039/C9CC01942A","","","0.71073","MoKα","","0.1428","0.0736","","","0.138","0.1609","","","","","","0.898","","","","has coordinates","214861","2020-10-21","18:00:00",""
"7123372","12.66958","0.00011","14.47355","0.00014","21.312","0.0002","90","","90","","90","","3908.06","0.06","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H29 F2 N4 O6 Rh -","- C42 H29 F2 N4 O6 Rh -","- C168 H116 F8 N16 O24 Rh4 -","4","1","","Wang, Wei; Xia, Xiaohan; Bian, Guang-ling; Song, Ling","A Chiral Sensor for Recognition of Varied Amines Based on 19F NMR Signals of new designed Rhodium Complexes","Chemical Communications","2019","","","","","10.1039/C9CC01942A","","","1.54178","CuKα","","0.0217","0.0214","","","0.0542","0.0548","","","","","","1.044","","","","has coordinates","214861","2020-10-21","18:00:00",""
"7123376","6.8449","0.0001","13.5001","0.0001","29.2689","0.0003","90","","90","","90","","2704.65","0.05","150","","150","","","","","","","","from U of Wollongong","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 F N O3 S -","- C28 H40 F N O3 S -","- C112 H160 F4 N4 O12 S4 -","4","1","","Pyne, Stephen G.; Chervis, Philip; Wangngae, Sirilak; Thaima, Thanaphat; Carroll, Anthony; Willis, Anthony; Pattarawarapan, Mookda","Highly diastereoselective synthesis of enantioenriched anti-alpha-allyl-beta-fluoroamines","Chemical Communications","2019","","","","","10.1039/C9CC02765C","","x-ray","1.54184","CuKα","","0.0439","0.0423","","0.1133","0.1113","0.1133","","","","","","0.9997","","","","has coordinates","214884","2020-10-21","18:00:00",""
"7123389","13.604","0.003","13.735","0.003","34.365","0.007","90","","90","","90","","6421","2","173","2","173","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C69.25 H56.5 B Cl1.5 F4 N O3 Os P3 -","- C69.25 H56.5 B Cl1.5 F4 N O3 Os P3 -","- C277 H226 B4 Cl6 F16 N4 O12 Os4 P12 -","4","1","","Deng, Zhihong; Zhu, Congqing; Hua, Yuhui; HE, Guomei; Guo, Ying; Lu, Ruqiang; Cao, Xiaoyu; Chen, Jiangxi; Xia, Haiping","Synthesis and Characterization of Metallapentalenoxazetes from the [2+2] Cycloaddition of Metallapentalynes with Nitrosoarenes","Chemical Communications","2019","","","","","10.1039/C9CC02594D","","","0.71073","MoKα","","0.0448","0.0419","","","0.1223","0.1246","","","","","","1.108","","","","has coordinates","214944","2020-10-21","18:00:00",""
"7123410","8.572","0.0003","9.4216","0.0002","20.1701","0.0006","90","","90","","90","","1628.98","0.08","150","0.1","150","0.1","","","","","","","EtOH","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Mo, Yiran; Liu, Siyang; Liu, Yingying; Ye, Ling; Shi, Zhichuan; Zhao, Zhi-Gang; Li, Xuefeng","Highly stereoselective synthesis of 2,3-dihydrofurans via cascade Michael addition-alkylation process: nitro group as the leaving group","Chemical Communications","2019","","","","","10.1039/C9CC01509D","","x-ray","1.54184","CuKα","","0.0513","0.0494","","","0.1291","0.1327","","","","","","1.056","","","","has coordinates","214978","2020-10-21","18:00:00",""
"7123460","9.16689","0.00015","20.2059","0.0004","21.1011","0.0004","90","","90","","90","","3908.46","0.12","100","0.6","100","0.6","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 Cl2 Ir N2 O -","- C16 H31 Cl2 Ir N2 O -","- C128 H248 Cl16 Ir8 N16 O8 -","8","2","","DuChane, Christine M.; Karpin, George W.; Ehrich, Marion; Falkinham, 3rd, Joseph O; Merola, Joseph S.","Iridium piano stool complexes with activity against <i>S. aureus</i> and MRSA: it is past time to truly think outside of the box.","MedChemComm","2019","10","8","1391","1398","10.1039/c9md00140a","","x-ray","0.71073","MoKα","","0.0356","0.0311","","","0.0626","0.0646","","","","","","1.087","","","","has coordinates","224641","2020-10-21","18:00:00",""
"7123486","10.601","0.0005","11.7414","0.0005","12.881","0.0006","90","","90","","90","","1603.31","0.13","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N O2 S2 -","- C16 H20 N O2 S2 -","- C64 H80 N4 O8 S8 -","4","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","0.71073","MoKα","","0.0739","0.0622","","","0.1791","0.2092","","","","","","1.212","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123487","8.0063","0.0003","12.0533","0.0008","19.6151","0.0007","90","","90","","90","","1892.9","0.16","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O2 S -","- C21 H27 N O2 S -","- C84 H108 N4 O8 S4 -","4","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","0.71073","MoKα","","0.0596","0.0487","","","0.1113","0.1204","","","","","","1.036","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123488","6.4626","0.0003","7.6863","0.0003","36.6394","0.0017","90","","90","","90","","1820.01","0.14","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","0.71073","MoKα","","0.0487","0.0398","","","0.0852","0.0921","","","","","","1.042","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123489","7.6838","0.0003","11.6378","0.0007","19.1666","0.0013","90","","90","","90","","1713.93","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 S -","- C19 H23 N O2 S -","- C76 H92 N4 O8 S4 -","4","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","0.71073","MoKα","","0.054","0.0438","","","0.1177","0.1412","","","","","","1.21","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123491","9.2849","0.0003","11.8237","0.0003","19.1053","0.0005","90","","90","","90","","2097.42","0.1","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O2 S -","- C25 H27 N O2 S -","- C100 H108 N4 O8 S4 -","4","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","0.71073","MoKα","","0.0389","0.0355","","","0.0823","0.0847","","","","","","1.043","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123492","9.714","0.0005","11.6951","0.0005","16.9879","0.0008","90","","90","","90","","1929.93","0.16","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O4 S -","- C20 H25 N O4 S -","- C80 H100 N4 O16 S4 -","4","1","","Gharpure, Santosh J.; Vishwakarma, Dharmendra S.; Patel, Raj Kumar","TMSOTf Mediated ‘5/6-endo-dig’ Reductive Hydroamination for the Stereoselective Synthesis of Pyrrolidine and Piperidine derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03127H","","x-ray","0.71073","MoKα","","0.0581","0.0438","","","0.0907","0.1013","","","","","","1.069","","","","has coordinates","215288","2020-10-21","18:00:00",""
"7123508","7.5129","0.0008","10.456","0.0007","24.907","0.002","90","","90","","90","","1956.6","0.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Fe N O Si -","- C21 H27 Fe N O Si -","- C84 H108 Fe4 N4 O4 Si4 -","4","1","","Barth, Eva Rebecca; Krupp, Anna; Langenohl, Felix; Brieger, Lukas; Strohmann, Carsten","Kinetically controlled asymmetric synthesis of silicon-stereogenic methoxy silanes using a planar chiral ferrocene backbone","Chemical Communications","2019","","","","","10.1039/C9CC03619A","","x-ray","0.71073","MoKα","","0.0241","0.0238","","","0.0626","0.0627","","","","","","1.083","","","","has coordinates,has disorder","215363","2020-10-21","18:00:00",""
"7123526","9.5724","0.0002","15.9011","0.0003","41.7343","0.0006","90","","90","","90","","6352.4","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","cyclo-[B(C6F5)2N(C3H5CF3)C(O)N(C6H11)C(C6F5)O]","","- C33 H15 B F18 N2 O2 -","- C33 H15 B F18 N2 O2 -","- C264 H120 B8 F144 N16 O16 -","8","2","","Mehta, Meera; Goicoechea, Jose M.","Carboboration of isocyanates with tris(pentafluorophenyl)borane and evidence for dissociative FLP chemistry of an acid‒base pair","Chemical Communications","2019","","","","","10.1039/C9CC02707F","","","1.54184","CuKα","","0.0547","0.0419","","","0.1008","0.111","","","","","","0.999","","","","has coordinates,has disorder","215457","2020-10-21","18:00:00",""
"7123534","5.8619","0.0002","7.6914","0.0003","20.4081","0.0007","90","","90","","90","","920.12","0.06","110.2","0.8","110.2","0.8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 O S -","- C12 H8 O S -","- C48 H32 O4 S4 -","4","1","","Li, Mengke; Cai, Xinyi; Qiao, Zhenyang; Liu, Kunkun; Xie, Wentao; Wang, Liangying; Zheng, Nan; Su, Shi-Jian","Achieving high-efficiency purely organic room-temperature phosphorescence from boronic ester substitution of phenoxathiine","Chemical Communications","2019","","","","","10.1039/C9CC02648G","","x-ray","1.54184","CuKα","","0.0683","0.0672","","","0.1929","0.1948","","","","","","1.088","","","","has coordinates","215459","2020-10-21","18:00:00",""
"7123556","8.9148","0.0005","9.6905","0.0008","18.8528","0.0013","90","","90","","90","","1628.7","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 B O4 -","- C14 H25 B O4 -","- C56 H100 B4 O16 -","4","1","","Bardell-Cox, Oliver A; White, Andrew J. P.; Aragón, Luis; Fuchter, Matthew J.","Synthetic studies on the reverse antibiotic natural products, the nybomycins.","MedChemComm","2019","10","8","1438","1444","10.1039/c9md00207c","","","0.71073","MoKα","","0.0646","0.0496","","","0.1048","0.1161","","","","","","1.063","","","","has coordinates,has disorder","224642","2020-10-21","18:00:00",""
"7123571","6.4829","0.0002","12.2525","0.0003","26.9553","0.0007","90","","90","","90","","2141.11","0.1","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N3 O4 -","- C20 H24 Br N3 O4 -","- C80 H96 Br4 N12 O16 -","4","1","","Deng, Wei-Ping; Deng, Hua; Jia, Renmeng; Yang, Wu-Lin; Yu, Xingxin","Ligand-Controlled Switch in Diastereoselectivities: Catalytic Asymmetric Construction of Spirocyclic Pyrrolidine-azetidine/oxe(thie)tane Derivatives","Chemical Communications","2019","","","","","10.1039/C9CC03589C","","","0.71073","MoKα","","0.0389","0.0322","","","0.0731","0.076","","","","","","1.042","","","","has coordinates","215610","2020-10-21","18:00:00",""
"7123585","5.9624","0.0003","8.0092","0.0004","28.9234","0.0016","90","","90","","90","","1381.21","0.12","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-2-(4-methylstyryl)quinoline","","- C18 H15 N -","- C18 H15 N -","- C72 H60 N4 -","4","1","","Banerjee, Debasis; Das, Jagadish; VELLAKKARAN, MARI","Nickel-Catalysed Direct α-Olefination of Alkyl Substituted N-Heteroarenes with Alcohols","Chemical Communications","2019","","","","","10.1039/C9CC03591E","","","0.71073","MoKα","","0.1487","0.0684","","","0.1735","0.2304","","","","","","0.955","","","","has coordinates","215643","2020-10-21","18:00:00",""
"7123588","5.15285","0.00017","11.3914","0.0005","26.4345","0.001","90","","90","","90","","1551.66","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","","Qiao, Baokun; Li, Chunyang; Zhao, Xiaowei; Yin, Yanli; Jiang, Zhiyong","Enantioselective reduction of azaarene-based ketones via visible light-driven photoredox asymmetric catalysis","Chemical Communications","2019","","","","","10.1039/C9CC03661J","","x-ray","1.54184","CuKα","","0.0759","0.0669","","","0.1777","0.1906","","","","","","1.045","","","","has coordinates","215669","2020-10-21","18:00:00",""
"7123596","4.5356","0.0004","17.134","0.0014","17.5416","0.0014","90","","90","","90","","1363.2","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Debenzolyation","","- C17 H11 N -","- C17 H11 N -","- C68 H44 N4 -","4","1","","Dhandabani, Ganesh Kumar; Mutra, Mohana Reddy; Wang, Jeh-Jeng","FeCl3 promoted ring size dictating diversity-oriented synthesis (DOS) of N-heterocycles using in situ generated cyclic imines and enamines","Chemical Communications","2019","","","","","10.1039/C9CC03375K","","x-ray","0.71073","MoKα","","0.0781","0.0509","","","0.1307","0.1496","","","","","","1.032","","","","has coordinates","215691","2020-10-21","18:00:00",""
"7123601","7.08","0.0002","8.7733","0.0003","28.3213","0.0008","90","","90","","90","","1759.18","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Maguire, Casey J.; Carlson, Graham J.; Ford, Jacob W.; Strecker, Tracy E.; Hamel, Ernest; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of structurally diverse α-conformationally restricted chalcones and related analogues.","MedChemComm","2019","10","8","1445","1456","10.1039/c9md00127a","","","0.71073","MoKα","","0.0462","0.0388","","","0.0832","0.0863","","","","","","1.052","","","","has coordinates","224643","2020-10-21","18:00:00",""
"7123631","6.4109","0.0003","33.5378","0.0014","35.2624","0.0014","90","","90","","90","","7581.7","0.6","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C83 H134 O3 -","- C83 H134 O3 -","- C332 H536 O12 -","4","1","","Wang, Jian-Rong; Li, Meiqi; Yu, Qihui; Zhang, Zaiyong; Zhu, Bingqing; Qin, Wenming; Mei, Xuefeng","Anisotropic elasticity and plasticity of organic crystal","Chemical Communications","2019","","","","","10.1039/C9CC03542G","","","0.71073","MoKα","","0.1111","0.0659","","","0.1617","0.1912","","","","","","1.02","","","","has coordinates","215845","2020-10-21","18:00:00",""
"7123648","8.701","0.006","9.584","0.007","24.807","0.018","90","","90","","90","","2069","3","298","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 N2 O2 -","- C26 H20 N2 O2 -","- C104 H80 N8 O8 -","4","1","","Zhou, Xi; Xu, Hongyan; Yang, Qiaodan; Chen, Hua; 王, 守锋; Zhao, Huaiqing","Co(II)/Cu(II)-cocatalyzed oxidative C‒H/N‒H functionalization of benzamides with ketones: a facile route to isoindolin-1-ones","Chemical Communications","2019","","","","","10.1039/C9CC02661D","","x-ray","0.71073","MoKα","","0.0583","0.0388","","","0.0868","0.096","","","","","","1.028","","","","has coordinates","215983","2020-10-21","18:00:00",""
"7123653","10.79","0.002","15.825","0.003","20.681","0.004","90","","90","","90","","3531.3","1.2","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 Au F6 N P Sb -","- C36 H48 Au F6 N P Sb -","- C144 H192 Au4 F24 N4 P4 Sb4 -","4","1","","Navarro, Miquel; Toledo, Alberto; Joost, Maximilian; Amgoune, Abderrahmane; Ladeira, Sonia; Bourissou, Didier","π Complexes of P^P and P^N Chelated Gold(I)","Chemical Communications","2019","","","","","10.1039/C9CC04266K","","","0.71073","MoKα","","0.0328","0.0274","","","0.0602","0.0621","","","","","","1.054","","","","has coordinates","215987","2020-10-21","18:00:00",""
"7123655","11.0481","0.0005","15.7073","0.0007","20.4499","0.0009","90","","90","","90","","3548.8","0.3","193","2","193","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 Au F6 N O P Sb -","- C37 H50 Au F6 N O P Sb -","- C148 H200 Au4 F24 N4 O4 P4 Sb4 -","4","1","","Navarro, Miquel; Toledo, Alberto; Joost, Maximilian; Amgoune, Abderrahmane; Ladeira, Sonia; Bourissou, Didier","π Complexes of P^P and P^N Chelated Gold(I)","Chemical Communications","2019","","","","","10.1039/C9CC04266K","","","1.54178","CuKα","","0.0259","0.0251","","","0.0617","0.0622","","","","","","1.048","","","","has coordinates","215987","2020-10-21","18:00:00",""
"7123677","9.1316","0.0002","22.7041","0.0004","37.6937","0.0007","90","","90","","90","","7814.8","0.3","95","2","95","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H33 B F2 I2 N4 O2 -","- C45 H33 B F2 I2 N4 O2 -","- C360 H264 B8 F16 I16 N32 O16 -","8","2","","Sugiura, Shinya; Kobayashi, Yoichi; Yasuda, Nobuhiro; Maeda, Hiromitsu","Multiply aryl-substituted dipyrrolyldiketone boron complexes exhibiting anion-responsive emissive properties","Chemical Communications","2019","","","","","10.1039/C9CC03407B","","","0.8104","Synchrotron","","0.0585","0.0569","","","0.1471","0.149","","","","","","1.208","","","","has coordinates","216031","2020-10-21","18:00:00",""
"7123707","14.9258","0.0002","19.4601","0.0002","27.9272","0.0004","90","","90","","90","","8111.67","0.18","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 I N2 Ru -","- C21 H25 I N2 Ru -","- C336 H400 I16 N32 Ru16 -","16","4","","Wang, Zhi-Qin; Tang, Xiaosheng; Yang, Zhao-Qi; yu, baoyi; Wang, Hua-Jing; Sang, Wei; Yuan, Ye; Chen, Cheng; Verpoort, Francis","Highly active bidentate N-heterocyclic carbene/ruthenium complexes performing dehydrogenative coupling of alcohols and hydroxides in open air","Chemical Communications","2019","","","","","10.1039/C9CC03519B","","x-ray","1.54184","CuKα","","0.0425","0.0381","","","0.0995","0.1016","","","","","","1.065","","","","has coordinates","216480","2020-10-21","18:00:00",""
"7123725","8.05116","0.00014","10.41903","0.00019","21.8099","0.0004","90","","90","","90","","1829.53","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","1","","you, yong; Lu, Wen-Ya; Xie, Ke-Xin; Zhao, Jian-Qiang; Wang, Zhen-Hua; Yuan, Weicheng","Enantioselective Synthesis of Isoquinoline-1,3(2H,4H)-dione Derivatives via Chiral Phosphoric Acid Catalyzed aza-Friedel−Crafts Reaction","Chemical Communications","2019","","","","","10.1039/C9CC04057A","","x-ray","1.54184","CuKα","","0.041","0.0378","","","0.0993","0.1033","","","","","","1.032","","","","has coordinates","216538","2020-10-21","18:00:00",""
"7123772","15.9666","0.0005","16.6567","0.0005","26.8159","0.0009","90","","90","","90","","7131.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H42 N2 O2 -","- C50 H42 N2 O2 -","- C400 H336 N16 O16 -","8","2","","Chow, Chi Hao Eugene; Han, Yi; Phan, Hoa; Wu, Jishan","Nitrogen-Doped Heptazethrene and Octazethrene Diradicaloids","Chemical Communications","2019","","","","","10.1039/C9CC04564C","","","1.54178","CuKα","","0.1277","0.058","","","0.1223","0.1587","","","","","","0.983","","","","has coordinates,has disorder","216751","2020-10-21","18:00:00",""
"7123773","6.6953","0.0009","6.8192","0.0009","15.5018","0.0019","90","","90","","90","","707.76","0.16","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H2 N8 O3 -","- C3 H2 N8 O3 -","- C12 H8 N32 O12 -","4","1","","Shreeve, Jean'ne M.; Hu, Lu; Yin, Ping; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.","Fused rings with N-oxide and -NH2: good combination for high density and low sensitivity energetic materials","Chemical Communications","2019","","","","","10.1039/C9CC04496E","","","0.71073","MoKα","","0.0541","0.0337","","","0.0688","0.0757","","","","","","1.032","","","","has coordinates","216752","2020-10-21","18:00:00",""
"7123774","5.4287","0.0003","9.3438","0.0005","16.7314","0.0008","90","","90","","90","","848.7","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H5 N9 O4 -","- C3 H5 N9 O4 -","- C12 H20 N36 O16 -","4","1","","Shreeve, Jean'ne M.; Hu, Lu; Yin, Ping; Gao, Haixiang; Imler, Gregory H.; Parrish, Damon A.","Fused rings with N-oxide and -NH2: good combination for high density and low sensitivity energetic materials","Chemical Communications","2019","","","","","10.1039/C9CC04496E","","","0.71073","MoKα","","0.0651","0.0362","","","0.072","0.0809","","","","","","1.028","","","","has coordinates","216752","2020-10-21","18:00:00",""
"7123779","7.6115","0.0019","11.5","0.002","17.886","0.004","90","","90","","90","","1565.6","0.6","150","","150","","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl F Fe I N -","- C14 H16 Cl F Fe I N -","- C56 H64 Cl4 F4 Fe4 I4 N4 -","4","1","","Erb, William; Roisnel, Thierry","Asymmetric synthesis of hetero-1,2,3,4,5-pentasubstituted ferrocenes","Chemical Communications","2019","","","","","10.1039/C9CC04604F","","x-ray","0.71073","MoKα","","0.0249","0.0241","","","0.0581","0.0586","","","","","","1.107","","","","has coordinates","216755","2020-10-21","18:00:00",""
"7123780","7.3187","0.0012","12.538","0.002","21.583","0.003","90","","90","","90","","1980.5","0.5","150","","150","","","","","","","","synthesis as described","8","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl F Fe I N Si -","- C17 H24 Cl F Fe I N Si -","- C68 H96 Cl4 F4 Fe4 I4 N4 Si4 -","4","1","","Erb, William; Roisnel, Thierry","Asymmetric synthesis of hetero-1,2,3,4,5-pentasubstituted ferrocenes","Chemical Communications","2019","","","","","10.1039/C9CC04604F","","x-ray","0.71073","MoKα","","0.0309","0.0303","","","0.0759","0.0763","","","","","","1.333","","","","has coordinates","216755","2020-10-21","18:00:00",""
"7123813","6.374","0.002","8.621","0.003","20.89","0.007","90","","90","","90","","1147.9","0.7","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N5 O -","- C12 H13 N5 O -","- C48 H52 N20 O4 -","4","1","","Abell, Andrew D.; May, Barnaby C. H.","The synthesis and solid state structure of (8S)-8-benzyl-8,9-dihydro-7H-tetrazolo[1,5-d][1,4] diazepin-6-one","Chemical Communications","2001","20","","2080","2081","10.1039/B106175P","","","0.71073","MoKα","","0.0374","0.0323","","","0.0827","0.0853","","","","","","1.036","","","","has coordinates","216929","2020-10-21","18:00:00",""
"7123839","5.2967","0.0001","10.3438","0.0002","28.0395","0.0006","90","","90","","90","","1536.23","0.05","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O2 S -","- C16 H13 Br O2 S -","- C64 H52 Br4 O8 S4 -","4","1","","Luo, Hui-Yun; Xie, Yu-Yang; Song, Xu-Feng; Dong, Jia-Wei; Zhu, Deng; Chen, Zhi-Min","Lewis Base-Catalyzed Asymmetric Sulfenylation of Alkenes: Construction of Sulfenylated Lactones and Application to the Formal Syntheses of (-)-Nicotlactone B and (−)-Galbacin","Chemical Communications","2019","","","","","10.1039/C9CC04758A","","","1.54178","CuKα","","0.0726","0.0685","","","0.2008","0.2062","","","","","","1.086","","","","has coordinates","216984","2020-10-21","18:00:00",""
"7123910","8.9789","0.0006","20.4612","0.0011","32.6305","0.0018","90","","90","","90","","5994.8","0.6","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 O4 S -","- C23 H20 O4 S -","- C276 H240 O48 S12 -","12","3","","Xu, Xuemei; Qu, Lang; Song, Jintong; Wu, Dehua; Zhou, Xiangge; Xiang, Haifeng","Simple and visual approach for enantioselective recognition through supramolecular gels with specific selectivity","Chemical Communications","2019","","","","","10.1039/C9CC04895B","","","0.71073","MoKα","","0.1429","0.0758","","","0.1585","0.1921","","","","","","1","","","","has coordinates,has disorder","217248","2020-10-21","18:00:00",""
"7123925","22.9747","0.0007","10.9249","0.0003","7.06559","0.00018","90","","90","","90","","1773.44","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N5 O6 -","- C16 H19 N5 O6 -","- C64 H76 N20 O24 -","4","1","","Kulla, Hannes; Michalchuk, Adam A. L.; Emmerling, Franziska","Manipulating the dynamics of mechanochemical ternary cocrystal formation","Chemical Communications","2019","","","","","10.1039/C9CC03034D","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","","1","5.27276","","","","","","","has coordinates","217309","2020-10-21","18:00:00",""
"7123937","7.4242","0.0002","10.8667","0.0003","21.4824","0.0005","90","","90","","90","","1733.13","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H7 B F10 -","- C21 H7 B F10 -","- C84 H28 B4 F40 -","4","1","","Tao, Xin; Daniliuc, Constantin Gabriel; Soloviova, Kateryna; Strassert, Cristian Alejandro; Kehr, Gerald; Erker, Gerhard","Arylallenes and the Halogeno-B(C6F5)2 Reagents: Facile Formation of 2-Borylindenes","Chemical Communications","2019","","","","","10.1039/C9CC04199K","","","1.54178","CuKα","","0.0248","0.0235","","","0.0573","0.0579","","","","","","1.048","","","","has coordinates","217353","2020-10-21","18:00:00",""
"7123939","7.3604","0.0004","11.9863","0.0007","21.4524","0.0013","90","","90","","90","","1892.62","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H9 B F10 -","- C22 H9 B F10 -","- C88 H36 B4 F40 -","4","1","","Tao, Xin; Daniliuc, Constantin Gabriel; Soloviova, Kateryna; Strassert, Cristian Alejandro; Kehr, Gerald; Erker, Gerhard","Arylallenes and the Halogeno-B(C6F5)2 Reagents: Facile Formation of 2-Borylindenes","Chemical Communications","2019","","","","","10.1039/C9CC04199K","","","0.71073","MoKα","","0.0763","0.0589","","","0.1038","0.1095","","","","","","1.16","","","","has coordinates,has disorder","217353","2020-10-21","18:00:00",""
"7123942","7.4593","0.0003","10.9446","0.0004","21.4005","0.001","90","","90","","90","","1747.12","0.13","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H6 B F11 -","- C21 H6 B F11 -","- C84 H24 B4 F44 -","4","1","","Tao, Xin; Daniliuc, Constantin Gabriel; Soloviova, Kateryna; Strassert, Cristian Alejandro; Kehr, Gerald; Erker, Gerhard","Arylallenes and the Halogeno-B(C6F5)2 Reagents: Facile Formation of 2-Borylindenes","Chemical Communications","2019","","","","","10.1039/C9CC04199K","","","1.54178","CuKα","","0.0832","0.0668","","","0.1382","0.1458","","","","","","1.16","","","","has coordinates,has disorder","217353","2020-10-21","18:00:00",""
"7123950","22.9","0.005","24.86","0.005","38.8","0.008","90","","90","","90","","22089","8","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C144 H108 B8 Co4 F32 N24 O12 P4 S4 -","- C144 H108 B8 Co4 F32 N24 O12 P4 S4 -","- C576 H432 B32 Co16 F128 N96 O48 P16 S16 -","4","1","","Butler, Patrick; Kruger, Paul; Ward, Jas S.","Self-assembly of M4L4 Tetrahedral Cages Incorporating Pendant P=S and P=Se Functionalised Ligands","Chemical Communications","2019","","","","","10.1039/C9CC05443J","","","0.7108","Synchrotron","","0.1411","0.1009","","","0.2807","0.3107","","","","","","1.133","","","","has coordinates","217437","2020-10-21","18:00:00",""
"7123997","14.457","0.0015","16.9138","0.0018","17.4369","0.0018","90","","90","","90","","4263.7","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52.5 H49 Cl Fe O4 -","- C52.5 H49 Cl Fe O4 -","- C210 H196 Cl4 Fe4 O16 -","4","1","","Groysman, Stanislav; Lord, Richard L.; Wannipurage, Duleeka; Kurup, Sudheer S.","Tying the alkoxides together: an iron complex of a new chelating bulky bis(alkoxide) demonstrates selectivity for coupling of non-bulky aryl nitrenes","Chemical Communications","2019","","","","","10.1039/C9CC05319K","","","0.71073","MoKα","","0.0894","0.0789","","","0.2277","0.2324","","","","","","1.137","","","","has coordinates,has disorder","217528","2020-10-21","18:00:00",""
"7124012","11.407","0.0009","14.9513","0.0011","31.156","0.003","90","","90","","90","","5313.6","0.8","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H61 Cl N2 O2 P2 Pd2 -","- C62 H61 Cl N2 O2 P2 Pd2 -","- C248 H244 Cl4 N8 O8 P8 Pd8 -","4","1","","Balázs, László B; Khalikuzzaman, Jasmina B.; Csókás, Dániel; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Tandem double hydrophosphination of α,β,γ,δ-unsaturated-1,3-indandiones: diphosphine synthesis, mechanistic investigations and coordination chemistry.","Chemical Communications","2019","","","","","10.1039/C9CC05384K","","","0.71073","MoKα","","0.1164","0.078","","","0.1411","0.156","","","","","","1.083","","","","has coordinates","217564","2020-10-21","18:00:00",""
"7124014","9.8394","0.0011","20.038","0.003","22.336","0.002","90","","90","","90","","4403.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H49 N O4 P2 Pd -","- C52 H49 N O4 P2 Pd -","- C208 H196 N4 O16 P8 Pd4 -","4","1","","Balázs, László B; Khalikuzzaman, Jasmina B.; Csókás, Dániel; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing","Tandem double hydrophosphination of α,β,γ,δ-unsaturated-1,3-indandiones: diphosphine synthesis, mechanistic investigations and coordination chemistry.","Chemical Communications","2019","","","","","10.1039/C9CC05384K","","","0.71073","MoKα","","0.0641","0.0444","","","0.0805","0.0896","","","","","","1.033","","","","has coordinates","217564","2020-10-21","18:00:00",""
"7124024","7.8533","0.0002","15.1576","0.0004","19.7612","0.0005","90","","90","","90","","2352.32","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Isoniazid-D-tartaric acid salt","","- C20 H26 N6 O14 -","- C20 H26 N6 O14 -","- C80 H104 N24 O56 -","4","1","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhuyan, Achyut; Thakuria, Ranjit","Effect of Solvent Polarity in Mechanochemistry: Preparation of Conglomerate vs. Racemate","Chemical Communications","2019","","","","","10.1039/C9CC05687D","","","0.71073","MoKα","","0.0695","0.0631","","","0.1716","0.178","","","","","","1.043","","","","has coordinates","217590","2020-10-21","18:00:00",""
"7124025","7.8825","0.0005","15.1865","0.0009","19.8838","0.0011","90","","90","","90","","2380.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Isoniazid-D-tartaric acid salt","","- C20 H13 N6 O14 -","- C20 H13 N6 O14 -","- C80 H52 N24 O56 -","4","1","","Sarmah, Kashyap Kumar; Rajbongshi, Trishna; Bhuyan, Achyut; Thakuria, Ranjit","Effect of Solvent Polarity in Mechanochemistry: Preparation of Conglomerate vs. Racemate","Chemical Communications","2019","","","","","10.1039/C9CC05687D","","","0.71073","MoKα","","0.0938","0.0837","","","0.2243","0.2369","","","","","","1.173","","","","has coordinates","217590","2020-10-21","18:00:00",""
"7124056","6.9092","0.0001","10.1436","0.0001","19.7001","0.0001","90","","90","","90","","1380.66","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3R,3aS)-2-(4-nitrophenyl)-3,3a-dihydro-2H-cyclohepta[b]thiophene-3-carbaldehyde","","- C16 H13 N O3 S -","- C16 H13 N O3 S -","- C64 H52 N4 O12 S4 -","4","1","","Frankowski, Sebastian; Skrzynska, Anna; Albrecht, Lukasz","Inverting the reactivity of troponoid system in the enantioselective higher-order cycloaddition","Chemical Communications","2019","","","","","10.1039/C9CC05638F","","x-ray","1.54184","CuKα","","0.0192","0.0192","","","0.0483","0.0483","","","","","","1.1","","","","has coordinates","217685","2020-10-21","18:00:00",""
"7124070","6.17133","0.00016","14.8909","0.0005","22.8926","0.0007","90","","90","","90","","2103.75","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 F N2 O4 S -","- C23 H21 F N2 O4 S -","- C92 H84 F4 N8 O16 S4 -","4","1","","Zeng, Guangkuo; Li, Yunqiang; Qiao, Baokun; Zhao, Xiaowei; Jiang, Zhiyong","Photoredox Asymmetric Catalytic Enantioconvergent Substitution of 3-Chlorooxindoles","Chemical Communications","2019","","","","","10.1039/C9CC05304B","","x-ray","1.54184","CuKα","","0.0657","0.048","","","0.1044","0.1137","","","","","","1.061","","","","has coordinates,has disorder","217797","2020-10-21","18:00:00",""
"7124117","13.139","0.0003","17.7561","0.0003","21.7663","0.0005","90","","90","","90","","5078.02","0.19","149.95","0.1","149.95","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2,5,8,10,13,16,17,20,23-nonaoxabicyclo[7.7.7]tricosane)-natrium tetrakis(3,5-bis(trifluoromethyl)phenyl)borate","","- C46 H38 B F24 Na O9 -","- C46 H38 B F24 Na O9 -","- C184 H152 B4 F96 Na4 O36 -","4","1","","Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max","Self-templated synthesis of an orthoformate in,in-cryptand and its bridgehead inversion by dynamic covalent exchange","Chemical Communications","2019","","","","","10.1039/C9CC05968G","","x-ray","0.71073","MoKα","","0.0651","0.0455","","","0.0948","0.1049","","","","","","1.031","","","","has coordinates,has disorder","218022","2020-10-21","18:00:00",""
"7124151","7.65747","0.00011","14.0292","0.0002","15.4998","0.0002","90","","90","","90","","1665.12","0.04","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-Propyl-4-(pyren-1-yl)thiophene","","- C23 H18 S -","- C23 H18 S -","- C92 H72 S4 -","4","1","","Ikeya, Minako; Katada, Genki; Ito, Suguru","Tunable mechanochromic luminescence of 2-alkyl-4-(pyren-1-yl)thiophenes: Controlling the self-recovering properties and the range of chromism","Chemical Communications","2019","","","","","10.1039/C9CC06406K","","","1.54184","CuKα","","0.0369","0.0351","","","0.091","0.0926","","","","","","1.074","","","","has coordinates","218235","2020-10-21","18:00:00",""
"7124161","5.9598","0.0003","12.9349","0.0007","37.287","0.002","90","","90","","90","","2874.4","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 S3 -","- C36 H32 S3 -","- C144 H128 S12 -","4","1","","Phan, Ngoc-Minh; Choy, Emma P. K. L.; Zakharov, Lev N.; Johnson, Darren W.","Self-sorting in dynamic disulfide assembly: new biphenyl-bridged “nanohoops” and unsymmetrical cyclophanes","Chemical Communications","2019","","","","","10.1039/C9CC06503B","","","1.54178","CuKα","","0.0722","0.0504","","","0.119","0.1335","","","","","","0.924","","","","has coordinates","218282","2020-10-21","18:00:00",""
"7124233","8.073","0.0008","11.6945","0.0012","14.8493","0.0013","90","","90","","90","","1401.9","0.2","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Mes-Camary-sulfur","N-mesityl-3-thiooisoindolin-1-one","","- C17 H15 N O S -","- C17 H15 N O S -","- C68 H60 N4 O4 S4 -","4","1","","Gildner, M. Brenton; Hudnall, Todd W.","Cyclic (Aryl)(Amido)carbenes: Pushing the π-Acidity of Amidocarbenes Through Benzannulation","Chemical Communications","2019","","","","","10.1039/C9CC05280A","","x-ray","0.71073","MoKα","","0.0686","0.0503","","","0.1306","0.1455","","","","","","1.078","","","","has coordinates","218831","2020-10-21","18:00:00",""
"7124238","9.2472","0.0008","13.6858","0.0014","19.2652","0.0015","90","","90","","90","","2438.1","0.4","283","2","283.47","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O3 S2 -","- C29 H32 O3 S2 -","- C116 H128 O12 S8 -","4","1","","Meng, Xiangtai; Chen, Dengfeng; Cao, Xiaoji; Luo, Jinyue; Wang, Fei; Huang, Shenlin","Synthesis of Polysubstituted Cyclic 1,2-Diketones Enabled by Iterative Sulfoxide-Mediated Arylation","Chemical Communications","2019","","","","","10.1039/C9CC06505A","","","0.71073","MoKα","","0.1475","0.0638","","","0.11","0.1418","","","","","","1.047","","","","has coordinates","218882","2020-10-21","18:00:00",""
"7124254","10.9181","0.0004","12.5117","0.0005","17.7197","0.0007","90","","90","","90","","2420.58","0.16","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Br N4 O3 -","- C25 H25 Br N4 O3 -","- C100 H100 Br4 N16 O12 -","4","1","","Li, Wenjun; Yuan, Huijun; Li, Yao; Zhao, Hanhui; Yang, Zhihong; Li, Xin","Asymmetric Synthesis of Atropisomeric Pyrazole via an Enantioselective Reaction of Azonaphthalene with Pyrazolone","Chemical Communications","2019","","","","","10.1039/C9CC06360A","","x-ray","0.71073","MoKα","","0.0501","0.0379","","","0.0855","0.0915","","","","","","1.023","","","","has coordinates","218982","2020-10-21","18:00:00",""
"7124255","7.048","0.0002","12.9076","0.0003","18.7303","0.0005","90","","90","","90","","1703.95","0.08","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","VL_785-1","","","- C16 H19 Br Cl N O3 -","- C16 H19 Br Cl N O3 -","- C64 H76 Br4 Cl4 N4 O12 -","4","1","","Laina, Victor; Perez, Ignacio; Fernández-Salas, José Antonio; Aleman, Jose","Nucleophilic Halo-Michael Addition under Lewis-Base Activation","Chemical Communications","2019","","","","","10.1039/C9CC07068K","","","0.71073","MoKα","","0.032","0.0284","","","0.074","0.0858","","","","","","1.192","","","","has coordinates","219042","2020-10-21","18:00:00",""
"7124286","9.51375","0.00016","16.825","0.0003","22.3825","0.0006","90","","90","","90","","3582.74","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H38 Br2 N4 O4 -","- C38 H38 Br2 N4 O4 -","- C152 H152 Br8 N16 O16 -","4","1","","Li, Jiangtao; Gu, Ziwei; Zhao, Xiaowei; Qiao, Baokun; Jiang, Zhiyong","Asymmetric Aerobic Decarboxylative Povarov Reactions of N-Aryl α-Amino Acids with Methylenephthalimidines via Cooperative Photoredox and Chiral Brønsted Acid Catalysis","Chemical Communications","2019","","","","","10.1039/C9CC07380A","","x-ray","1.54184","CuKα","","0.0505","0.045","","","0.1195","0.1262","","","","","","1.061","","","","has coordinates","219166","2020-10-21","18:00:00",""
"7124287","6.3224","0.0005","11.8122","0.001","24.672","0.002","90","","90","","90","","1842.5","0.3","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Br O5 -","- C18 H21 Br O5 -","- C72 H84 Br4 O20 -","4","1","","Li, Can; Liu, Yan; Wang, Kai; Ping, Chen; Zhang, Boyu; Guo, Wengang","Water Enables an Asymmetric Cross Reaction of α-Keto Acid to α-Keto Ester for the Synthesis of Quaternary Isotetronic Acid","Chemical Communications","2019","","","","","10.1039/C9CC06356K","","","0.71073","MoKα","","0.0389","0.0327","","","0.0783","0.0812","","","","","","1.051","","","","has coordinates,has disorder","219167","2020-10-21","18:00:00",""
"7124299","5.7489","0.0004","10.8111","0.0007","22.1649","0.0014","90","","90","","90","","1377.59","0.16","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Cl2 N O -","- C16 H13 Cl2 N O -","- C64 H52 Cl8 N4 O4 -","4","1","","Phan Thi Thanh , Nga; Tone, Masaya; Inoue, Hayato; Fujisawa, Ikuhide; Iwasa, Seiji","Highly Stereoselective Intramolecular Buchner Reaction of Diazoacetamides Catalyzed by a Ru(II)-Pheox Complex","Chemical Communications","2019","","","","","10.1039/C9CC06889A","","x-ray","0.71075","MoKα","","0.0422","0.0365","","","0.0854","0.0895","","","","","","1.08","","","","has coordinates","219263","2020-10-21","18:00:00",""
"7124301","5.93","0.0001","8.7765","0.0002","24.7421","0.0006","90","","90","","90","","1287.69","0.05","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Xu, Kai; Liu, Hao; Hou, Yilin; Shen, Jiefeng; Liu, Delong; Zhang, Wanbin","Pd-Catalyzed Asymmetric Allylic Substitution Cascade via An Asymmetric Desymmetrization for the Synthesis of Bicyclic Dihydrofurans","Chemical Communications","2019","","","","","10.1039/C9CC07204G","","","1.54178","CuKα","","0.0424","0.0387","","","0.1033","0.1079","","","","","","1.046","","","","has coordinates","219301","2020-10-21","18:00:00",""
"7124302","4.6461","0.0006","11.4107","0.0016","24.622","0.003","90","","90","","90","","1305.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Xu, Kai; Liu, Hao; Hou, Yilin; Shen, Jiefeng; Liu, Delong; Zhang, Wanbin","Pd-Catalyzed Asymmetric Allylic Substitution Cascade via An Asymmetric Desymmetrization for the Synthesis of Bicyclic Dihydrofurans","Chemical Communications","2019","","","","","10.1039/C9CC07204G","","","1.54178","CuKα","","0.0661","0.0562","","","0.1556","0.1632","","","","","","1.158","","","","has coordinates","219301","2020-10-21","18:00:00",""
"7124324","7.0071","0.0005","8.4037","0.0007","28.7235","0.0019","90","","90","","90","","1691.4","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cl2 O4 -","- C18 H16 Cl2 O4 -","- C72 H64 Cl8 O16 -","4","1","","Volla, Chandra MR; Singh, Anurag; Shukla, Rahul Kumar","Palladium-catalyzed Highly Diastereoslective Cascade Dihalogenation of Alkyne-tethered Cylcohexadienones via Umpolung of Palladium Enolate","Chemical Communications","2019","","","","","10.1039/C9CC07164D","","x-ray","0.71073","MoKα","","0.0516","0.0423","","","0.097","0.1172","","","","","","1.104","","","","has coordinates","219373","2020-10-21","18:00:00",""
"7124347","8.7439","0.0001","12.3456","0.0002","18.3547","0.0003","90","","90","","90","","1981.37","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Br N2 O6 -","- C20 H19 Br N2 O6 -","- C80 H76 Br4 N8 O24 -","4","1","","Huang, Ke-Xin; Xie, Ming-Sheng; Wang, Dong-Chao; Sang, Ji-Wei; Qu, Gui-Rong; Guo, Hai-Ming","Palladium-Catalyzed Asymmetric Formal [3+2] Cycloaddition of α-N-Heterocyclic Acrylates with Vinyl Epoxides for Construction of Isonucleoside Analogs","Chemical Communications","2019","","","","","10.1039/C9CC07571B","","x-ray","1.54184","CuKα","","0.0262","0.0253","","","0.065","0.0657","","","","","","1.046","","","","has coordinates","219430","2020-10-21","18:00:00",""
"7124357","6.80413","0.00003","12.83725","0.00007","22.67679","0.00012","90","","90","","90","","1980.73","0.017","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O5 -","- C23 H24 O5 -","- C92 H96 O20 -","4","1","","Mondal, Mukulesh; Panda, Manashi; Davis, Nicholas; McKee, Vickie; Kerrigan, Nessan Joseph","Asymmetric Synthesis of Cyclopentanones through Dual Lewis Acid-Catalysed [3 + 2]-Cycloaddition of Donor-Acceptor Cyclopropanes with Ketenes","Chemical Communications","2019","","","","","10.1039/C9CC07477E","","x-ray","1.54184","CuKα","","0.0253","0.0246","","","0.0641","0.0648","","","","","","1.044","","","","has coordinates","219442","2020-10-21","18:00:00",""
"7124358","6.80314","0.00004","12.83574","0.00007","22.67729","0.00012","90","","90","","90","","1980.26","0.019","100","0.3","100","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O5 -","- C23 H24 O5 -","- C92 H96 O20 -","4","1","","Mondal, Mukulesh; Panda, Manashi; Davis, Nicholas; McKee, Vickie; Kerrigan, Nessan Joseph","Asymmetric Synthesis of Cyclopentanones through Dual Lewis Acid-Catalysed [3 + 2]-Cycloaddition of Donor-Acceptor Cyclopropanes with Ketenes","Chemical Communications","2019","","","","","10.1039/C9CC07477E","","x-ray","1.54184","CuKα","","0.0251","0.0245","","","0.0636","0.064","","","","","","1.029","","","","has coordinates","219442","2020-10-21","18:00:00",""
"7124371","10.4615","0.0001","10.5145","0.0001","23.7246","0.0003","90","","90","","90","","2609.65","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N2 O9 -","- C28 H28 N2 O9 -","- C112 H112 N8 O36 -","4","1","","Chang, Shun-qin; Zuo, Xiong; Gong, Ying; He, Xue-Wen; Liu, Xiong-Li; Zhou, Ying","Stereocontrolled construction of six vicinal stereogenic centers on hexahydroxanthone framework through a formal [2+1+3] annulation","Chemical Communications","2019","","","","","10.1039/C9CC08101A","","x-ray","1.54184","CuKα","","0.0469","0.046","","","0.1226","0.1239","","","","","","1.033","","","","has coordinates","219464","2020-10-21","18:00:00",""
"7124403","12.246","0.003","14.757","0.003","17.563","0.003","90","","90","","90","","3173.9","1.1","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N6 O12 Zn -","- C28 H31.371 N6 O12 Zn -","- C112 H125.484 N24 O48 Zn4 -","4","1","","Liu, Zhiliang; Xu, Xuebin; Xiao, Jiannan; Liu, Meiying","A multi-stimuli responsive metallohydrogel applied to chiral recognition, poisonous anion adsorption and construction of various chiral metal-organic frameworks","Chemical Communications","2019","","","","","10.1039/C9CC07621B","","","0.71073","MoKα","","0.09","0.0567","","","0.1332","0.1513","","","","","","1.027","","","","has coordinates,has disorder","220517","2020-10-21","18:00:00",""
"7124404","7.5321","0.0012","12.861","0.002","14.071","0.002","90","","90","","90","","1363.1","0.4","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Cl N2 O2 Zn -","- C14 H13 Cl N2 O2 Zn -","- C56 H52 Cl4 N8 O8 Zn4 -","4","1","","Liu, Zhiliang; Xu, Xuebin; Xiao, Jiannan; Liu, Meiying","A multi-stimuli responsive metallohydrogel applied to chiral recognition, poisonous anion adsorption and construction of various chiral metal-organic frameworks","Chemical Communications","2019","","","","","10.1039/C9CC07621B","","","0.71073","MoKα","","0.0353","0.0267","","","0.0569","0.0592","","","","","","1.039","","","","has coordinates","220517","2020-10-21","18:00:00",""
"7124405","7.86","0.003","13.271","0.005","13.788","0.005","90","","90","","90","","1438.2","0.9","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N5 O2 Zn -","- C14 H13 N5 O2 Zn -","- C56 H52 N20 O8 Zn4 -","4","1","","Liu, Zhiliang; Xu, Xuebin; Xiao, Jiannan; Liu, Meiying","A multi-stimuli responsive metallohydrogel applied to chiral recognition, poisonous anion adsorption and construction of various chiral metal-organic frameworks","Chemical Communications","2019","","","","","10.1039/C9CC07621B","","","0.71073","MoKα","","0.0492","0.0363","","","0.0761","0.0822","","","","","","1.076","","","","has coordinates","220517","2020-10-21","18:00:00",""
"7124408","11.7718","0.0007","15.1157","0.0008","21.9868","0.0014","90","","90","","90","","3912.3","0.4","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H42 Cl Cu N4 O6 -","- C45 H42 Cl Cu N4 O6 -","- C180 H168 Cl4 Cu4 N16 O24 -","4","1","","Martinez, Alexandre; Qiu, Gege; Colomban, Cédric; Giorgi, Michel; Vanthuyne, Nicolas","Chirality Transfer in a Cage Controls the Clockwise / Anticlockwise Propeller Arrangement of the tris(2-pyridylmethyl)amine Ligand","Chemical Communications","2019","","","","","10.1039/C9CC07244F","","x-ray","0.71073","MoKα","","0.1155","0.0645","","","0.1423","0.1658","","","","","","1.076","","","","has coordinates","220575","2020-10-21","18:00:00",""
"7124415","9.6185","0.0005","11.6931","0.0007","30.7216","0.0016","90","","90","","90","","3455.3","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 N2 -","- C48 H32 N2 -","- C192 H128 N8 -","4","1","","Aguilar-Granda, Andrés; Colin-Molina, Abraham; Jellen, Marcus; Nuñez-Pineda, Alejandra; Cifuentes Quintal, Miguel Eduardo; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio","Triggering the Dynamics of a Carbazole-p-[phenylene-diethynyl]-xylene Rotor through a Mechanically Induced Phase Transition","Chemical Communications","2019","","","","","10.1039/C9CC05672F","","","0.71073","MoKα","","0.2871","0.0849","","","0.1255","0.1769","","","","","","1","","","","has coordinates,has disorder","220576","2020-10-21","18:00:00",""
"7124425","11.5932","0.0003","14.511","0.0003","15.1619","0.0004","90","","90","","90","","2550.67","0.11","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 Cl N P2 Rh -","- C22 H42 Cl N P2 Rh -","- C88 H168 Cl4 N4 P8 Rh4 -","4","1","","Kawakami, Ryosuke; Kuriyama, Shogo; Tanaka, Hiromasa; Arashiba, Kazuya; Konomi, Asuka; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki","Catalytic reduction of dinitrogen into tris(trimethylsilyl)amine using rhodium complexes with pyrrole-based PNP-type pincer ligand","Chemical Communications","2019","","","","","10.1039/C9CC06896A","","","0.71075","MoKα","","0.0287","0.0257","","","0.0574","0.0583","","","","","","1.056","","","","has coordinates","222242","2020-10-21","18:00:00",""
"7124433","5.9203","0.0013","18.197","0.004","19.707","0.004","90","","90","","90","","2123.1","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br I N O5 -","- C21 H20 Br I N O5 -","- C84 H80 Br4 I4 N4 O20 -","4","1","","Wu, Shi-Lu; Li, Ning; Yin, Guan-Wu; Xu, Zheng; Ye, Fei; Li, Li; Cui, Yu-Ming; Xu, Li-Wen","Catalytic Asymmetric Cycloaddition with Unsymmetrical EWG-activated Alkenes to Fully Substituted Pyrrolidines Bearing Three Different Carbonyl Groups","Chemical Communications","2019","","","","","10.1039/C9CC07738C","","","0.71073","MoKα","","0.0371","0.0287","","","0.0681","0.0712","","","","","","1.011","","","","has coordinates","223382","2020-10-21","18:00:00",""
"7124439","6.9362","0.0005","16.8867","0.0011","21.0716","0.0011","90","","90","","90","","2468.1","0.3","110.6","0.14","110.6","0.14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H17 Cl3 F3 N O6 -","- C27 H17 Cl3 F3 N O6 -","- C108 H68 Cl12 F12 N4 O24 -","4","1","","Wang, Lei; Lv, Shuaipeng; Liu, Haitao; Kang, Jie; Luo, Yun; Gong, Ting; Dong, Zhengqi; Sun, Guibo; He, Chun-nian; Sun, Xiaobo","Palladium-catalysed enol/enolate directed oxidative annulation: functionalized naphthofuroquinones synthesis and bioactivity evaluation","Chemical Communications","2019","","","","","10.1039/C9CC05233J","","x-ray","0.71073","MoKα","","0.0625","0.0518","","","0.118","0.1266","","","","","","1.047","","","","has coordinates","223385","2020-10-21","18:00:00",""
"7124468","9.3392","0.0007","15.1764","0.0014","21.938","0.002","90","","90","","90","","3109.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tetrabromophenylethene","","","- C34 H32 Br4 O2 -","- C34 H32 Br4 O2 -","- C136 H128 Br16 O8 -","4","1","","Xu, Pengfei; Qiu, Qianqian; Ye, Xinru; Wei, Mengru; Xi, Wenbin; Feng, Hui; Qian, Zhaosheng","Halogenated Tetraphenylethene with Enhanced Aggregation-Induced Emission: Anomalous Anti-Heavy-Atom Effect and Self-Reversible Mechanochromism","Chemical Communications","2019","","","","","10.1039/C9CC07045A","","","0.71073","MoKα","","0.0765","0.0458","","","0.0871","0.0986","","","","","","1.017","","","","has coordinates","227685","2020-10-21","18:00:00",""
"7124469","9.6191","0.0005","17.2316","0.0006","18.9386","0.0008","90","","90","","90","","3139.1","0.2","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tetraiodophenylethene","","","- C26 H22 I4 O3 -","- C26 H22 I4 O3 -","- C104 H88 I16 O12 -","4","1","","Xu, Pengfei; Qiu, Qianqian; Ye, Xinru; Wei, Mengru; Xi, Wenbin; Feng, Hui; Qian, Zhaosheng","Halogenated Tetraphenylethene with Enhanced Aggregation-Induced Emission: Anomalous Anti-Heavy-Atom Effect and Self-Reversible Mechanochromism","Chemical Communications","2019","","","","","10.1039/C9CC07045A","","","0.71073","MoKα","","0.0597","0.0432","","","0.1246","0.1342","","","","","","1.064","","","","has coordinates","227685","2020-10-21","18:00:00",""
"7124488","7.9445","0.00009","10.19612","0.00012","25.8377","0.0002","90","","90","","90","","2092.93","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","C22H22NO3S2","","- C22 H21 N O3 S2 -","- C22 H21 N O3 S2 -","- C88 H84 N4 O12 S8 -","4","1","","Li, Jin-Shan; Liu, Yong-Jie; Li, Shen; Ma, Jun-An","Chiral phosphoric acid-catalyzed direct asymmetric mannich reaction of cyclic C-acylimines with simple ketones: facile access to C2-quaternary indolin-3-ones.","Chemical communications (Cambridge, England)","2018","54","66","9151","9154","10.1039/c8cc05125a","","x-ray","1.54184","CuKα","","0.0337","0.0327","","","0.0896","0.0905","","","","","","1.078","","","","has coordinates","227747","2020-10-21","18:00:00",""
"7124505","7.24927","0.00018","12.5565","0.0003","19.2992","0.0005","90","","90","","90","","1756.72","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(2-{3-(benzyloxy)-2-methyl-4-oxopyridin-1(4H)-yl}ethyl)-2-methylprop-2-enamide","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Ang, M Trisha C; Gumbau-Brisa, Roger; Allan, David S.; McDonald, Robert; Ferguson, Michael J.; Holbein, Bruce E.; Bierenstiel, Matthias","DIBI, a 3-hydroxypyridin-4-one chelator iron-binding polymer with enhanced antimicrobial activity.","MedChemComm","2018","9","7","1206","1212","10.1039/c8md00192h","","","1.54178","CuKα","","0.0322","0.0318","","","0.0836","0.0841","","","","","","1.062","","","","has coordinates","227868","2020-10-21","18:00:00",""
"7124526","14.079","0.005","17.811","0.006","22.443","0.007","90","","90","","90","","5628","3","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C52 H62 Al B Cl8 N2 O2 P2 -","- C52 H62 Al B Cl8 N2 O2 P2 -","- C208 H248 Al4 B4 Cl32 N8 O8 P8 -","4","1","","Kannan, Ramkumar; Chambenahalli, Raju; Kumar, Sandeep; Krishna, Athul; Andrews, Alex P.; Jemmis, Eluvathingal D.; Venugopal, Ajay","Organoaluminum cations for carbonyl activation","Chemical Communications","2019","","","","","10.1039/C9CC08272G","","","0.71073","MoKα","","0.1434","0.0664","","","0.1282","0.1647","","","","","","1.019","","","","has coordinates","231099","2020-10-21","18:00:00",""
"7124528","17.6924","0.0011","6.6868","0.0004","15.241","0.0009","90","","90","","90","","1803.09","0.19","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21.75 N3 O3 -","- C22 H22 N3 O3 -","- C88 H88 N12 O12 -","4","1","","Xing, Miaomiao; Wang, Kangnan; Wu, Xiang-Wen; Ma, Shuyue; Cao, Duxia; Guan, Ruifang; Liu, Zhiqiang","A coumarin chalcone ratiometric fluorescent probe for hydrazine based on deprotection, addition and succent cyclization mechanism","Chemical Communications","2019","","","","","10.1039/C9CC08174G","","","1.54178","CuKα","","0.1084","0.0991","","","0.2245","0.2303","","","","","","1.036","","","","has coordinates","231100","2020-10-21","18:00:00",""
"7124529","6.0407","0.0003","21.1209","0.0012","27.1076","0.0014","90","","90","","90","","3458.5","0.3","298.9","0.5","298.9","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 N6 O6 -","- C36 H48 N6 O6 -","- C144 H192 N24 O24 -","4","1","","Kielty, Patrick; Farràs, Pau; McArdle, Patrick; Smith, Dennis A.; Aldabbagh, Fawaz","Visible-light unmasking of heterocyclic quinone methide radicals from alkoxyamines","Chemical Communications","2019","","","","","10.1039/C9CC08261A","","","0.71073","MoKα","","0.0942","0.0519","","","0.1002","0.1188","","","","","","1.002","","","","has coordinates","231101","2020-10-21","18:00:00",""
"7124549","12.3066","0.0001","12.6126","0.0002","32.4825","0.0004","90","","90","","90","","5041.88","0.11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H60 F18 N14 O P3 Ru -","- C41 H60 F18 N14 O P3 Ru -","- C164 H240 F72 N56 O4 P12 Ru4 -","4","1","","Pal, Amlan K.; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.","Near infra-red emission from a mer-Ru(II) complex: consequences of strong σ-donation from a neutral, flexible ligand with dual binding modes.","Chemical communications (Cambridge, England)","2014","50","52","6846","6849","10.1039/c3cc49880h","","","1.54178","CuKα","","0.0378","0.0367","","","0.0964","0.0978","","","","","","1.025","","","","has coordinates,has disorder","232602","2020-10-21","18:00:00",""
"7124550","6.677","0.0008","13.3668","0.0016","21.243","0.003","90","","90","","90","","1895.9","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Y6-pBr","","","- C24 H16 Br N O2 -","- C24 H16 Br N O2 -","- C96 H64 Br4 N4 O8 -","4","1","","Cook, Andrea M.; Wolf, Christian","Catalytic enantioselective nucleophilic addition of ynamides to aldehydes.","Chemical communications (Cambridge, England)","2014","50","24","3151","3154","10.1039/c4cc00394b","","","0.71073","MoKα","","0.0232","0.0211","","","0.0521","0.0525","","","","","","1.041","","","","has coordinates","232726","2020-10-21","18:00:00",""
"7124558","9.6618","0.0001","17.3989","0.0002","25.1987","0.0003","90","","90","","90","","4236.02","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.75 H35.5 Cl2.5 N6 Rh -","- C48.753 H35.506 Cl2.506 N6 Rh -","- C195.012 H142.024 Cl10.024 N24 Rh4 -","4","1","","Olguín, Juan; Müller-Bunz, Helge; Albrecht, Martin","Springloaded porphyrin NHC hybrid rhodium(III) complexes: carbene dissociation and oxidation catalysis.","Chemical communications (Cambridge, England)","2014","50","26","3488","3490","10.1039/c4cc00497c","","","0.71073","MoKα","","0.0363","0.0323","","","0.0801","0.0829","","","","","","1.077","","","","has coordinates","232731","2020-10-21","18:00:00",""
"7124591","8.931","0.004","10.538","0.005","28.633","0.013","90","","90","","90","","2695","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O6 S -","- C27 H30 N2 O6 S -","- C108 H120 N8 O24 S4 -","4","1","","Zhang, Minmin; Yu, Shuowen; Hu, Fangzhi; Liao, Yijun; Liao, Lihua; Xu, Xiaoying; Yuan, Weicheng; Zhang, Xiaomei","Highly enantioselective [3+2] coupling of cyclic enamides with quinone monoimines promoted by a chiral phosphoric acid.","Chemical communications (Cambridge, England)","2016","52","56","8757","8760","10.1039/c6cc01200k","","","0.71073","MoKα","","0.0472","0.0416","","","0.1065","0.1094","","","","","","1.063","","","","has coordinates","233986","2020-10-21","18:00:00",""
"7124595","11.6015","0.0019","12.822","0.002","13.428","0.002","90","","90","","90","","1997.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","6MACdippHCl","","","- C21 H32 Cl N O -","- C21 H32 Cl N O -","- C84 H128 Cl4 N4 O4 -","4","1","","McCarty, Zachary R.; Lastovickova, Dominika N.; Bielawski, Christopher W.","A cyclic (alkyl)(amido)carbene: synthesis, study and utility as a desulfurization reagent.","Chemical communications (Cambridge, England)","2016","52","31","5447","5450","10.1039/c6cc01376g","","","0.71075","MoKα","","0.0441","0.0406","","","0.1071","0.1096","","","","","","1.006","","","","has coordinates","233990","2020-10-21","18:00:00",""
"7124649","15.8312","0.0004","18.6954","0.0005","21.7724","0.0007","90","","90","","90","","6444","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H59 Cl2 N6 O14 -","- C64 H59 Cl2 N6 O14 -","- C256 H236 Cl8 N24 O56 -","4","1","","Liu, Kang; Xiong, Yong; Wang, Zuo-Fei; Tao, Hai-Yan; Wang, Chun-Jiang","Ligand-controlled stereodivergent 1,3-dipolar cycloaddition of azomethine ylides with 3-methyl-4-nitro-5-styrylisoxazoles.","Chemical communications (Cambridge, England)","2016","52","60","9458","9461","10.1039/c6cc03169b","","","1.54178","CuKα","","0.0659","0.0537","","","0.1428","0.1516","","","","","","1.004","","","","has coordinates","234072","2020-10-21","18:00:00",""
"7124659","8.45","0.0004","11.0004","0.0005","42.68","0.002","90","","90","","90","","3967.3","0.3","123","2","123","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","perfluororubrene, F28-rubrene","5,6,11,12-tetrakis(perfluorophenyl)1,2,3,4,7,8,9,10-octafluorotetracene- perfluororubrene chloroform solvate","","- C42 F28 -","- C42 F28 -","- C168 F112 -","4","1","","Zhang, Zhuoran; Ogden, William A.; Young, Victor G.; Douglas, Christopher J.","Synthesis, electrochemical properties, and crystal packing of perfluororubrene.","Chemical communications (Cambridge, England)","2016","52","52","8127","8130","10.1039/c6cc03259a","","","1.54178","CuKα","","0.0267","0.0252","","","0.0648","0.0656","","","","","","1.045","","","","has coordinates","234083","2020-10-21","18:00:00",""
"7124665","22.2194","0.0006","26.8073","0.0008","30.7909","0.0008","90","","90","","90","","18340.4","0.9","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C68 H80 N16 O12 -","- C68 H80 N16 O12 -","- C544 H640 N128 O96 -","8","2","","Chung, Mee-Kyung; Lee, Stephen J.; Waters, Marcey L.; Gagné, Michel R","Tetrameric psuedo-peptide receptors with allosteric properties.","Chemical communications (Cambridge, England)","2016","52","52","8103","8106","10.1039/c6cc03296f","","","1.54178","CuKα","","0.0995","0.0743","","","0.1892","0.2046","","","","","","0.945","","","","has coordinates","234089","2020-10-21","18:00:00",""
"7124675","5.43","0.0002","7.8748","0.0005","20.6997","0.0009","90","","90","","90","","885.12","0.08","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-methyl-2-nitro-3-phenyloxirane","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C36 H36 N4 O12 -","4","1","","Vidal-Albalat, A; Swiderek, K.; Izquierdo, J.; Rodríguez, S; Moliner, V.; González, F V","Catalytic enantioselective epoxidation of nitroalkenes.","Chemical communications (Cambridge, England)","2016","52","65","10060","10063","10.1039/c6cc03539f","","x-ray","1.54184","CuKα","","0.0465","0.0414","","","0.1126","0.1189","","","","","","1.0944","","","","has coordinates","234107","2020-10-21","18:00:00",""
"7124686","8.1765","0.0007","10.7366","0.0009","16.4944","0.0013","90","","90","","90","","1448","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O5 -","- C16 H13 Br O5 -","- C64 H52 Br4 O20 -","4","1","","Chen, Dong; Xu, Wen-Dan; Liu, Hao-Miao; Li, Ming-Ming; Yan, Yong-Min; Li, Xiao-Nian; Li, Yan; Cheng, Yong-Xian; Qin, Hong-Bo","Enantioselective total synthesis of (+)-Lingzhiol via tandem semipinacol rearrangement/Friedel-Crafts type cyclization.","Chemical communications (Cambridge, England)","2016","52","55","8561","8564","10.1039/c6cc03764j","","","0.71073","MoKα","","0.0247","0.0206","","","0.0514","0.0676","","","","","","1.078","","","","has coordinates","234124","2020-10-21","18:00:00",""
"7124717","14.018","0.0001","17.0222","0.0001","19.3743","0.0001","90","","90","","90","","4623.04","0.05","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42.98 H46.96 Ag Cl3.96 N3 O4 P -","- C42.981 H46.96 Ag Cl3.961 N3 O4 P -","- C171.924 H187.84 Ag4 Cl15.844 N12 O16 P4 -","4","1","","de la Campa, Raquel; Gammack Yamagata, Adam D.; Ortín, Irene; Franchino, Allegra; Thompson, Amber L.; Odell, Barbara; Dixon, Darren J.","Catalytic enantio- and diastereoselective Mannich reaction of α-substituted isocyanoacetates and ketimines.","Chemical communications (Cambridge, England)","2016","52","70","10632","10635","10.1039/c6cc04132a","","","1.5418","CuKα","","0.0276","0.027","","0.0715","0.0709","0.0715","","","","","","1.0014","","","","has coordinates,has disorder","234159","2020-10-21","18:00:00",""
"7124730","13.7643","0.0008","14.1122","0.0007","16.9238","0.0009","90","","90","","90","","3287.4","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H36 Br Ir N2 -","- C41 H36 Br Ir N2 -","- C164 H144 Br4 Ir4 N8 -","4","1","","Hellou, Nora; Jahier-Diallo, Claire; Baslé, Olivier; Srebro-Hooper, Monika; Toupet, Loïc; Roisnel, Thierry; Caytan, Elsa; Roussel, Christian; Vanthuyne, Nicolas; Autschbach, Jochen; Mauduit, Marc; Crassous, Jeanne","Electronic and chiroptical properties of chiral cycloiridiated complexes bearing helicenic NHC ligands.","Chemical communications (Cambridge, England)","2016","52","59","9243","9246","10.1039/c6cc04257k","","x-ray","1.54184","CuKα","","0.0204","0.0203","","","0.0544","0.0544","","","","","","1.044","","","","has coordinates","234174","2020-10-21","18:00:00",""
"7124731","9.2873","0.0008","16.9087","0.0016","17.495","0.0016","90","","90","","90","","2747.3","0.4","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 Br Ir N2 -","- C33 H32 Br Ir N2 -","- C132 H128 Br4 Ir4 N8 -","4","1","","Hellou, Nora; Jahier-Diallo, Claire; Baslé, Olivier; Srebro-Hooper, Monika; Toupet, Loïc; Roisnel, Thierry; Caytan, Elsa; Roussel, Christian; Vanthuyne, Nicolas; Autschbach, Jochen; Mauduit, Marc; Crassous, Jeanne","Electronic and chiroptical properties of chiral cycloiridiated complexes bearing helicenic NHC ligands.","Chemical communications (Cambridge, England)","2016","52","59","9243","9246","10.1039/c6cc04257k","","x-ray","0.71073","MoKα","","0.0681","0.0487","","","0.1137","0.1267","","","","","","1.138","","","","has coordinates","234174","2020-10-21","18:00:00",""
"7124734","8.2754","0.0017","12.082","0.002","13.332","0.003","90","","90","","90","","1333","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 F N O3 -","- C14 H14 F N O3 -","- C56 H56 F4 N4 O12 -","4","1","","Liu, Jianchao; Xu, Xiaobing; Li, Jiuyi; Liu, Bo; Jiang, Huanfeng; Yin, Biaolin","Palladium-catalyzed dearomatizing 2,5-alkoxyarylation of furan rings: diastereospecific access to spirooxindoles.","Chemical communications (Cambridge, England)","2016","52","61","9550","9553","10.1039/c6cc04298h","","","0.71073","MoKα","","0.0513","0.033","","","0.0777","0.0902","","","","","","1.008","","","","has coordinates","234178","2020-10-21","18:00:00",""
"7124753","10.3206","0.0004","11.6585","0.0005","18.3971","0.0008","90","","90","","90","","2213.59","0.16","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","ME4","","","- C25 H24 Cl N3 O -","- C25 H24 Cl N3 O -","- C100 H96 Cl4 N12 O4 -","4","1","","Ma, Jiajia; Harms, Klaus; Meggers, Eric","Enantioselective rhodium/ruthenium photoredox catalysis en route to chiral 1,2-aminoalcohols.","Chemical communications (Cambridge, England)","2016","52","66","10183","10186","10.1039/c6cc04397f","","","0.71073","MoKα","","0.0447","0.0352","","","0.0705","0.0736","","","","","","1.06","","","","has coordinates","234193","2020-10-21","18:00:00",""
"7124779","10.50766","0.00019","14.738","0.0002","35.4339","0.0006","90","","90","","90","","5487.36","0.15","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H69 N O6 Si2 -","- C48 H69 N O6 Si2 -","- C192 H276 N4 O24 Si8 -","4","1","","Gan, Zubao; Chu, Zhiwen; Hu, Jia; Su, Zhishan; Hu, Changwei; Gao, Lu; Song, Zhenlei","Tunable reactivity of geminal bis(silyl) enol derivatives leading to selective exo-IEDDA or Sakurai allylation with a β,γ-unsaturated ketoester.","Chemical communications (Cambridge, England)","2016","52","66","10137","10140","10.1039/c6cc04593f","","x-ray","1.54184","CuKα","","0.0624","0.0589","","","0.1553","0.1607","","","","","","1.041","","","","has coordinates","234218","2020-10-21","18:00:00",""
"7124796","9.7786","0.0005","9.9521","0.0004","21.9977","0.001","90","","90","","90","","2140.76","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 O6 P Si2 W -","- C14 H23 O6 P Si2 W -","- C56 H92 O24 P4 Si8 W4 -","4","1","","Kyri, A. W.; Schnakenburg, G.; Streubel, R.","A novel route to C-unsubstituted 1,2-oxaphosphetane and 1,2-oxaphospholane complexes.","Chemical communications (Cambridge, England)","2016","52","55","8593","8595","10.1039/c6cc04667c","","","0.71073","MoKα","","0.0244","0.0221","","","0.0369","0.0376","","","","","","0.886","","","","has coordinates","234236","2020-10-21","18:00:00",""
"7124798","9.2343","0.0004","10.3502","0.0004","23.1652","0.0011","90","","90","","90","","2214.06","0.17","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","AKY-554","","- C15 H25 O6 P Si2 W -","- C15 H25 O6 P Si2 W -","- C60 H100 O24 P4 Si8 W4 -","4","1","","Kyri, A. W.; Schnakenburg, G.; Streubel, R.","A novel route to C-unsubstituted 1,2-oxaphosphetane and 1,2-oxaphospholane complexes.","Chemical communications (Cambridge, England)","2016","52","55","8593","8595","10.1039/c6cc04667c","","x-ray","0.71073","MoKα","","0.0535","0.0367","","","0.0549","0.0584","","","","","","0.999","","","","has coordinates","234236","2020-10-21","18:00:00",""
"7124803","5.6327","0.0006","14.2928","0.0015","21.544","0.003","90","","90","","90","","1734.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O S -","- C23 H19 N O S -","- C92 H76 N4 O4 S4 -","4","1","","León, Thierry; Fernández, Elena","The Pauson-Khand reaction using alkynylboronic esters: solving a long-standing regioselectivity issue.","Chemical communications (Cambridge, England)","2016","52","60","9363","9366","10.1039/c6cc04717c","","","0.71073","MoKα","","0.0677","0.0478","","","0.0995","0.1104","","","","","","1.052","","","","has coordinates,has disorder","234243","2020-10-21","18:00:00",""
"7124906","11.5483","0.0008","15.6266","0.0011","19.1969","0.0012","90","","90","","90","","3464.3","0.4","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H53 B K N3 O Si -","- C33 H53 B K N3 O Si -","- C132 H212 B4 K4 N12 O4 Si4 -","4","1","","Dawkins, Michael J. C.; Middleton, Ewart; Kefalidis, Christos E.; Dange, Deepak; Juckel, Martin M.; Maron, Laurent; Jones, Cameron","Two-coordinate terminal zinc hydride complexes: synthesis, structure and preliminary reactivity studies.","Chemical communications (Cambridge, England)","2016","52","69","10490","10492","10.1039/c6cc05445e","","","0.71073","MoKα","","0.1004","0.0739","","","0.2044","0.2236","","","","","","1.092","","","","has coordinates","234338","2020-10-21","18:00:00",""
"7124920","7.662","0.005","13.433","0.009","13.883","0.01","90","","90","","90","","1428.9","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Cl5 N2 Sb -","- C5 H16 Cl5 N2 Sb -","- C20 H64 Cl20 N8 Sb4 -","4","1","","Mei, Guang-Quan; Zhang, Han-Yue; Liao, Wei-Qiang","A symmetry breaking phase transition-triggered high-temperature solid-state quadratic nonlinear optical switch coupled with a switchable dielectric constant in an organic-inorganic hybrid compound.","Chemical communications (Cambridge, England)","2016","52","74","11135","11138","10.1039/c6cc05512e","","","0.71073","MoKα","","0.0332","0.0295","","","0.0507","0.0516","","","","","","1.003","","","","has coordinates","234347","2020-10-21","18:00:00",""
"7124954","8.782","0.0001","10.8274","0.0002","26.0299","0.0004","90","","90","","90","","2475.08","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O4 S -","- C25 H28 N2 O4 S -","- C100 H112 N8 O16 S4 -","4","1","","Rainoldi, G.; Faltracco, M.; Lo Presti, L.; Silvani, A.; Lesma, G.","Highly diastereoselective entry into chiral spirooxindole-based 4-methyleneazetidines via formal [2+2] annulation reaction.","Chemical communications (Cambridge, England)","2016","52","77","11575","11578","10.1039/c6cc05838h","","","0.71073","MoKα","","0.0457","0.035","","","0.0946","0.1013","","","","","","1.056","","","","has coordinates,has disorder","234379","2020-10-21","18:00:00",""
"7124986","4.5426","0.0019","10.729","0.005","18.692","0.008","90","","90","","90","","911","0.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 N2 O5 -","- C8 H10 N2 O5 -","- C32 H40 N8 O20 -","4","1","","Kennedy, Stuart R.; Miquelot, Adeline; Aguilar, Juan A.; Steed, Jonathan W.","Trimeric cyclamers: solution aggregation and high Z' crystals based on guest structure and basicity.","Chemical communications (Cambridge, England)","2016","52","79","11846","11849","10.1039/c6cc06054d","","","0.71073","MoKα","","0.0948","0.0555","","","0.1122","0.1259","","","","","","1.042","","","","has coordinates","234408","2020-10-21","18:00:00",""
"7125022","7.08473","0.00014","16.7619","0.0004","22.085","0.0006","90","","90","","90","","2622.67","0.11","292.4","0.3","292.4","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 Br N2 O4 -","- C29 H21 Br N2 O4 -","- C116 H84 Br4 N8 O16 -","4","1","","Wang, Kai-Kai; Wang, Pan; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Substrate-controlled switchable asymmetric annulations to access polyheterocyclic skeletons.","Chemical communications (Cambridge, England)","2016","52","74","11104","11107","10.1039/c6cc06148f","","x-ray","1.54184","CuKα","","0.0825","0.0783","","","0.2136","0.2211","","","","","","1.038","","","","has coordinates","234432","2020-10-21","18:00:00",""
"7125023","10.06732","0.00018","10.59058","0.00014","22.9703","0.0004","90","","90","","90","","2449.06","0.07","292.6","0.5","292.6","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","1","","Wang, Kai-Kai; Wang, Pan; Ouyang, Qin; Du, Wei; Chen, Ying-Chun","Substrate-controlled switchable asymmetric annulations to access polyheterocyclic skeletons.","Chemical communications (Cambridge, England)","2016","52","74","11104","11107","10.1039/c6cc06148f","","x-ray","1.54184","CuKα","","0.0463","0.0439","","","0.1225","0.1268","","","","","","1.032","","","","has coordinates","234432","2020-10-21","18:00:00",""
"7125033","8.048","0.003","9.69","0.003","25.348","0.008","90","","90","","90","","1976.8","1.1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-4-benzyl-3-(4-bromophenyl)-4-chloro-4,5-dihydro-1H-pyrazol-5-one","","- C22 H16 Br Cl N2 O -","- C22 H16 Br Cl N2 O -","- C88 H64 Br4 Cl4 N8 O4 -","4","1","","Bao, Xiaoze; Wei, Shiqiang; Zou, Liwei; He, Yuli; Xue, Fuzhao; Qu, Jingping; Wang, Baomin","Asymmetric chlorination of 4-substituted pyrazolones catalyzed by natural cinchona alkaloid.","Chemical communications (Cambridge, England)","2016","52","76","11426","11429","10.1039/c6cc06236a","","","0.71073","MoKα","","0.0427","0.034","","","0.0822","0.0859","","","","","","1","","","","has coordinates","234442","2020-10-21","18:00:00",""
"7125043","12.0262","0.0012","13.8263","0.0014","17.009","0.0017","90","","90","","90","","2828.2","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H21 Br Cl3 F3 N2 O3 -","- C29 H21 Br Cl3 F3 N2 O3 -","- C116 H84 Br4 Cl12 F12 N8 O12 -","4","1","","Wang, Zhen-Hua; Wu, Zhi-Jun; Yue, Deng-Feng; Hu, Wen-Fei; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","Organocatalytic asymmetric [3+2] cycloaddition of N-2,2,2-trifluoroethylisatin ketimines with 3-alkenyl-5-arylfuran-2(3H)-ones.","Chemical communications (Cambridge, England)","2016","52","78","11708","11711","10.1039/c6cc06367e","","","0.71073","MoKα","","0.0478","0.0359","","","0.0866","0.0902","","","","","","1.065","","","","has coordinates,has disorder","234459","2020-10-21","18:00:00",""
"7125052","8.7409","0.0004","12.0555","0.0004","16.4217","0.0006","90","","90","","90","","1730.45","0.12","292.56","0.1","292.56","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-diene","","- C18 H19 Br O3 -","- C18 H19 Br O3 -","- C72 H76 Br4 O12 -","4","1","","Liu, Yangbin; Hu, Haipeng; Lin, Lili; Hao, Xiaoyu; Liu, Xiaohua; Feng, Xiaoming","Enantioselective construction of branched 1,3-dienyl substituted quaternary carbon stereocenters by asymmetric allenyl Claisen rearrangement.","Chemical communications (Cambridge, England)","2016","52","80","11963","11966","10.1039/c6cc06481g","","x-ray","1.54184","CuKα","","0.0568","0.0549","","","0.1414","0.1445","","","","","","1.079","","","","has coordinates","234470","2020-10-21","18:00:00",""
"7125053","7.5432","0.0002","12.7924","0.0003","17.2791","0.0005","90","","90","","90","","1667.36","0.08","293.1","0.2","293.1","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","lactone","","- C16 H13 Br I O3 -","- C16 H13 Br I O3 -","- C64 H52 Br4 I4 O12 -","4","1","","Liu, Yangbin; Hu, Haipeng; Lin, Lili; Hao, Xiaoyu; Liu, Xiaohua; Feng, Xiaoming","Enantioselective construction of branched 1,3-dienyl substituted quaternary carbon stereocenters by asymmetric allenyl Claisen rearrangement.","Chemical communications (Cambridge, England)","2016","52","80","11963","11966","10.1039/c6cc06481g","","x-ray","1.54184","CuKα","","0.0658","0.0651","","","0.1829","0.1841","","","","","","1.07","","","","has coordinates","234470","2020-10-21","18:00:00",""
"7125097","9.0942","0.0005","20.5821","0.0011","21.2116","0.0012","90","","90","","90","","3970.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H64 Mg N2 -","- C44 H64 Mg N2 -","- C176 H256 Mg4 N8 -","4","1","","Wiederkehr, J.; Wölper, C; Schulz, S.","Synthesis and solid state structure of a metalloid tin cluster [Sn<sub>10</sub>(trip<sub>8</sub>)].","Chemical communications (Cambridge, England)","2016","52","83","12282","12285","10.1039/c6cc06770k","","","0.71073","MoKα","","0.068","0.0459","","","0.1084","0.1226","","","","","","1.035","","","","has coordinates,has disorder","234510","2020-10-21","18:00:00",""
"7125098","11.2579","0.0002","16.4458","0.0003","18.2926","0.0003","90","","90","","90","","3386.79","0.1","104","2","104","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 Mg N2 -","- C38 H52 Mg N2 -","- C152 H208 Mg4 N8 -","4","1","","Wiederkehr, J.; Wölper, C; Schulz, S.","Synthesis and solid state structure of a metalloid tin cluster [Sn<sub>10</sub>(trip<sub>8</sub>)].","Chemical communications (Cambridge, England)","2016","52","83","12282","12285","10.1039/c6cc06770k","","","0.71073","MoKα","","0.0468","0.037","","","0.0848","0.0898","","","","","","1.028","","","","has coordinates","234512","2020-10-21","18:00:00",""
"7125133","9.7786","0.0005","9.9521","0.0004","21.9977","0.001","90","","90","","90","","2140.76","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 O6 P Si2 W -","- C14 H23 O6 P Si2 W -","- C56 H92 O24 P4 Si8 W4 -","4","1","","Kyri, A. W.; Kunzmann, R.; Schnakenburg, G.; Qu, Z.-W.; Grimme, S.; Streubel, R.","Synthesis of a monomolecular anionic FLP complex.","Chemical communications (Cambridge, England)","2016","52","91","13361","13364","10.1039/c6cc07081g","","","0.71073","MoKα","","0.0244","0.0221","","","0.0369","0.0376","","","","","","0.886","","","","has coordinates","234543","2020-10-21","18:00:00",""
"7125137","6.3385","0.0016","15.072","0.004","20.735","0.006","90","","90","","90","","1980.9","0.9","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H15 Cl O4 -","- C25 H15 Cl O4 -","- C100 H60 Cl4 O16 -","4","1","","Liu, Yang; Li, Jiangtao; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong","Organocatalytic asymmetric formal arylation of benzofuran-2(3H)-ones with cooperative visible light photocatalysis.","Chemical communications (Cambridge, England)","2016","52","97","13955","13958","10.1039/c6cc07105h","","","0.71073","MoKα","","0.115","0.0582","","","0.1071","0.1321","","","","","","0.981","","","","has coordinates","234547","2020-10-21","18:00:00",""
"7125168","5.7785","0.0012","9.7172","0.0019","14.76","0.003","90","","90","","90","","828.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 N2 O -","- C9 H8 N2 O -","- C36 H32 N8 O4 -","4","1","","Tang, Baolei; Zhang, Houyu; Ye, Kaiqi; Zhang, Hongyu; Wang, Yue","Highly efficient blue solid emitters and tautomerization-induced ON/OFF fluorescence switching based on structurally simple 3(5)-phenol-1H-pyrazoles.","Chemical communications (Cambridge, England)","2016","52","89","13128","13131","10.1039/c6cc07300j","","","0.71073","MoKα","","0.0467","0.0348","","","0.0886","0.0943","","","","","","1.024","","","","has coordinates","234570","2020-10-21","18:00:00",""
"7125169","3.7769","0.0005","10.7326","0.0013","19.387","0.003","90","","90","","90","","785.87","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 F N2 O -","- C9 H7 F N2 O -","- C36 H28 F4 N8 O4 -","4","1","","Tang, Baolei; Zhang, Houyu; Ye, Kaiqi; Zhang, Hongyu; Wang, Yue","Highly efficient blue solid emitters and tautomerization-induced ON/OFF fluorescence switching based on structurally simple 3(5)-phenol-1H-pyrazoles.","Chemical communications (Cambridge, England)","2016","52","89","13128","13131","10.1039/c6cc07300j","","","0.71073","MoKα","","0.0724","0.0535","","","0.1112","0.1219","","","","","","1.08","","","","has coordinates","234570","2020-10-21","18:00:00",""
"7125170","5.6704","0.0011","10.076","0.002","16.296","0.003","90","","90","","90","","931.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 N2 O2 -","- C10 H10 N2 O2 -","- C40 H40 N8 O8 -","4","1","","Tang, Baolei; Zhang, Houyu; Ye, Kaiqi; Zhang, Hongyu; Wang, Yue","Highly efficient blue solid emitters and tautomerization-induced ON/OFF fluorescence switching based on structurally simple 3(5)-phenol-1H-pyrazoles.","Chemical communications (Cambridge, England)","2016","52","89","13128","13131","10.1039/c6cc07300j","","","0.71073","MoKα","","0.0432","0.0349","","","0.0917","0.0959","","","","","","0.917","","","","has coordinates","234570","2020-10-21","18:00:00",""
"7125172","6.4559","0.0004","12.3783","0.0006","22.5131","0.0013","90","","90","","90","","1799.09","0.18","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 O P2 S2 -","- C14 H24 O P2 S2 -","- C56 H96 O4 P8 S8 -","4","1","","Arisawa, Mieko; Yamada, Tomoki; Tanii, Saori; Kawada, Yuta; Hashimoto, Hisako; Yamaguchi, Masahiko","Rhodium-catalyzed P-P bond exchange reaction of diphosphine disulfides.","Chemical communications (Cambridge, England)","2016","52","93","13580","13583","10.1039/c6cc07302f","","","0.71075","MoKα","","0.1078","0.0606","","","0.1067","0.1536","","","","","","1.061","","","","has coordinates","234572","2020-10-21","18:00:00",""
"7125213","5.8274","0.0002","9.9168","0.0003","23.1227","0.0008","90","","90","","90","","1336.24","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","VCINA","","","- C12 H14 N2 O7 -","- C12 H14 N2 O7 -","- C48 H56 N8 O28 -","4","1","","Wang, Jian-Rong; Bao, Junjie; Fan, Xiaowu; Dai, Wenjuan; Mei, Xuefeng","pH-Switchable vitamin B<sub>9</sub> gels for stoichiometry-controlled spherical co-crystallization.","Chemical communications (Cambridge, England)","2016","52","92","13452","13455","10.1039/c6cc07701c","","","0.71073","MoKα","","0.0504","0.0337","","","0.0654","0.071","","","","","","1.021","","","","has coordinates","234605","2020-10-21","18:00:00",""
"7125222","8.3041","0.0012","10.2744","0.0015","22.465","0.003","90","","90","","90","","1916.7","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Huang, Wei; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Diastereoselective synthesis of 2-methoxyimidoyloxiranes via dimethyl phosphite-mediated coupling of α-keto N-sulfinyl imidates with aldehydes.","Chemical communications (Cambridge, England)","2016","52","93","13592","13595","10.1039/c6cc07723d","","","0.71073","MoKα","","0.049","0.0372","","","0.0914","0.0993","","","","","","1.03","","","","has coordinates","234609","2020-10-21","18:00:00",""
"7125246","8.2947","0.0003","9.5293","0.0002","18.8749","0.0004","90","","90","","90","","1491.92","0.07","99.9","0.1","99.9","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 S -","- C16 H18 F N O2 S -","- C64 H72 F4 N4 O8 S4 -","4","1","","Okoromoba, Otome E.; Li, Zhou; Robertson, Nicole; Mashuta, Mark S.; Couto, Uenifer R.; Tormena, Cláudio F; Xu, Bo; Hammond, Gerald B.","Achieving regio- and stereo-control in the fluorination of aziridines under acidic conditions.","Chemical communications (Cambridge, England)","2016","52","91","13353","13356","10.1039/c6cc07855a","","","0.71073","MoKα","","0.0379","0.0341","","","0.0733","0.0752","","","","","","1.032","","","","has coordinates","234625","2020-10-21","18:00:00",""
"7125294","8.6647","0.0006","15.3884","0.0011","17.0772","0.0012","90","","90","","90","","2277","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","4h","4h","","- C21 H23 Br F3 N O6 -","- C21 H23 Br F3 N O6 -","- C84 H92 Br4 F12 N4 O24 -","4","1","","Zhi, Ying; Zhao, Kun; Liu, Qiang; Wang, Ai; Enders, Dieter","Asymmetric synthesis of functionalized trifluoromethyl-substituted pyrrolidines via an organocatalytic domino Michael/Mannich [3+2] cycloaddition.","Chemical communications (Cambridge, England)","2016","52","97","14011","14014","10.1039/c6cc08352h","","","0.71073","MoKα","","0.0515","0.0367","","","0.0797","0.0837","","","","","","1.032","","","","has coordinates","234677","2020-10-21","18:00:00",""
"7125303","11.111","0.0006","17.6697","0.0012","22.6965","0.0014","90","","90","","90","","4456","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H21 Dy F18 N2 O6 -","- C45 H21 Dy F18 N2 O6 -","- C180 H84 Dy4 F72 N8 O24 -","4","1","","Ou-Yang, J-K; Saleh, N.; Fernandez Garcia, G.; Norel, L.; Pointillart, F.; Guizouarn, T.; Cador, O.; Totti, F.; Ouahab, L.; Crassous, J.; Le Guennic, B.","Improved slow magnetic relaxation in optically pure helicene-based Dy<sup>III</sup> single molecule magnets.","Chemical communications (Cambridge, England)","2016","52","100","14474","14477","10.1039/c6cc08638a","","","0.71073","MoKα","","0.0471","0.0377","","","0.0803","0.0982","","","","","","1.109","","","","has coordinates","234691","2020-10-21","18:00:00",""
"7125304","11.1191","0.0009","17.6604","0.0018","22.693","0.002","90","","90","","90","","4456.2","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H21 Dy F18 N2 O6 -","- C45 H21 Dy F18 N2 O6 -","- C180 H84 Dy4 F72 N8 O24 -","4","1","","Ou-Yang, J-K; Saleh, N.; Fernandez Garcia, G.; Norel, L.; Pointillart, F.; Guizouarn, T.; Cador, O.; Totti, F.; Ouahab, L.; Crassous, J.; Le Guennic, B.","Improved slow magnetic relaxation in optically pure helicene-based Dy<sup>III</sup> single molecule magnets.","Chemical communications (Cambridge, England)","2016","52","100","14474","14477","10.1039/c6cc08638a","","","0.71073","MoKα","","0.1638","0.0814","","","0.1666","0.2315","","","","","","0.992","","","","has coordinates","234691","2020-10-21","18:00:00",""
"7125339","5.729","0.0015","14.295","0.005","15.456","0.004","90","","90","","90","","1265.8","0.6","294.29","0.18","294.29","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Mai, Shaoyu; Luo, Yixin; Huang, Xianyun; Shu, Zhenghao; Li, Bingnan; Lan, Yu; Song, Qiuling","Diversity-oriented synthesis of imidazo[2,1-a]isoquinolines.","Chemical communications (Cambridge, England)","2018","54","73","10240","10243","10.1039/c8cc05390a","","","0.71073","MoKα","","0.1325","0.0744","","","0.0878","0.1071","","","","","","1.0593","","","","has coordinates","236765","2020-10-21","18:00:00",""
"7125348","10.7129","0.0004","12.186","0.0005","16.3333","0.0005","90","","90","","90","","2132.27","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cd Cl N9 P -","- C14 H19 Cd Cl N9 P -","- C56 H76 Cd4 Cl4 N36 P4 -","4","1","","Zhao, Meng-Meng; Zhou, Lin; Shi, Ping-Ping; Zheng, Xuan; Chen, Xiao-Gang; Gao, Ji-Xing; Geng, Fu-Juan; Ye, Qiong; Fu, Da-Wei","Halogen substitution effects on optical and electrical properties in 3D molecular perovskites.","Chemical communications (Cambridge, England)","2018","54","94","13275","13278","10.1039/c8cc07052k","","","0.71073","MoKα","","0.1489","0.121","","","0.337","0.3542","","","","","","1.342","","","","has coordinates","236773","2020-10-21","18:00:00",""
"7125358","7.9156","0.0001","9.8147","0.0002","15.3289","0.0002","90","","90","","90","","1190.89","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","","Xie, Ming-Sheng; Zhao, Guo-Feng; Qin, Tao; Suo, Yong-Bo; Qu, Gui-Rong; Guo, Hai-Ming","Thiourea participation in [3+2] cycloaddition with donor-acceptor cyclopropanes: a domino process to 2-amino-dihydrothiophenes.","Chemical communications (Cambridge, England)","2019","55","11","1580","1583","10.1039/c8cc09595g","","","1.54184","CuKα","","0.0315","0.0314","","","0.085","0.0856","","","","","","1.056","","","","has coordinates","236782","2020-10-21","18:00:00",""
"7125376","11.182","0.0006","15.6943","0.0008","30.695","0.0016","90","","90","","90","","5386.8","0.5","296","2","296.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H28 F6 Ir N4 O2 P S2 -","- C50 H28 F6 Ir N4 O2 P S2 -","- C200 H112 F24 Ir4 N16 O8 P4 S8 -","4","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","0.71073","MoKα","","0.076","0.0434","","","0.0971","0.1077","","","","","","0.9142","","","","has coordinates","237837","2020-10-21","18:00:00",""
"7125377","11.0991","0.0011","15.4078","0.0016","31.051","0.003","90","","90","","90","","5310.1","0.9","296","2","296.15","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H28 F6 Ir N4 O2 P S2 -","- C50 H28 F6 Ir N4 O2 P S2 -","- C200 H112 F24 Ir4 N16 O8 P4 S8 -","4","1","","Yan, Zhi-Ping; Liao, Kang; Han, Hua-Bo; Su, Jian; Zheng, You-Xuan; Zuo, Jing-Lin","Chiral iridium(iii) complexes with four-membered Ir-S-P-S chelating rings for high-performance circularly polarized OLEDs.","Chemical communications (Cambridge, England)","2019","55","57","8215","8218","10.1039/c9cc03915e","","","0.71073","MoKα","","0.0697","0.0525","","","0.1385","0.1479","","","","","","1.0186","","","","has coordinates","237837","2020-10-21","18:00:00",""
"7125396","10.3308","0.0002","11.4554","0.0003","23.6689","0.0006","90","","90","","90","","2801.06","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N7 Ni O5 S2 -","- C25 H21 N7 Ni O5 S2 -","- C100 H84 N28 Ni4 O20 S8 -","4","1","","Dey, Mamon; Mudoi, Prashurya Pritam; Choudhury, Anup; Sarma, Bipul; Gogoi, Nayanmoni","Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes.","Chemical communications (Cambridge, England)","2019","55","77","11547","11550","10.1039/c9cc05032a","","","0.71073","MoKα","","0.0601","0.0486","","","0.1182","0.1348","","","","","","1.058","","","","has coordinates","237849","2020-10-21","18:00:00",""
"7125426","8.867","0.0018","12.232","0.002","15.032","0.003","90","","90","","90","","1630.4","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl2 N O2 Pt S -","- C15 H15 Cl2 N O2 Pt S -","- C60 H60 Cl8 N4 O8 Pt4 S4 -","4","1","","Yuan, Caixia; Wang, Weirong; Wang, Jianwei; Li, Xinhua; Wu, Yan-Bo; Li, Shaodong; Lu, Liping; Zhu, Miaoli; Xing, Shu; Fu, Xueqi","Potent and selective PTP1B inhibition by a platinum(ii) complex: possible implications for a new antitumor strategy.","Chemical communications (Cambridge, England)","2019","56","1","102","105","10.1039/c9cc06972k","","","0.72","synchrotron","","0.0521","0.0521","","","0.1412","0.1412","","","","","","1.113","","","","has coordinates","247572","2020-10-21","18:00:00",""
"7125431","8.4379","0.0002","10.5541","0.0003","22.3081","0.0006","90","","90","","90","","1986.64","0.09","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N3 O2 -","- C22 H27 N3 O2 -","- C88 H108 N12 O8 -","4","1","","Ye, Xueqian; Pan, Yongkai; Yang, Xiaoyu","Direct enantioselective Mannich reactions of α-azido cyclic ketones: asymmetric construction of chiral azides possessing an α-quaternary stereocenter.","Chemical communications (Cambridge, England)","2019","56","1","98","101","10.1039/c9cc08000g","","","1.54178","CuKα","","0.0405","0.0398","","","0.1107","0.1115","","","","","","1.071","","","","has coordinates","247573","2020-10-21","18:00:00",""
"7125461","10.861","0.002","20.595","0.003","8.948","0.002","90","","90","","90","","2001.5","0.6","163","","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 N2 O3 -","- C20 H32 N2 O3 -","- C80 H128 N8 O12 -","4","1","","Pérollier, Céline; Pécaut, Jacques; Ramasseul, René; Marchon, Jean-Claude; Bau, Robert","High-yield synthesis of a chiroporphyrin by hydrogen bond-directed cyclisation","Chemical Communications","1999","","16","1597","","10.1039/a904134f","","","1.54178","CuKα","","0.0667","0.0608","","0.1882","0.1553","","","","1.187","1.929","1.929","","","","","has coordinates","243853","2020-10-21","18:00:00",""
"7125473","21.0185","0.0004","21.366","0.0004","19.4924","0.0003","90","","90","","90","","8753.7","0.3","296.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H90 F9 N15 O24.5 Rh3 S3 -","- C64 H57 F9 N15 O24.5 Rh3 S3 -","- C256 H228 F36 N60 O98 Rh12 S12 -","4","1","","Yamanari, Kazuaki; Ito, Rie; Yamamoto, Shiori; Fuyuhiro, Akira","Diastereomeric separation of [{M(Cp*)(ado)}3]3+ (M = RhIII, IrIII; ado = adenosinato): crystal structure of an inclusion compound [{Rh(Cp*)(ado)}3](CF3SO3)3·MeOH","Chemical Communications","2001","","15","1414","","10.1039/b102870g","","","0.7107","MoKα","","","0.0441","","","","0.1373","","","","","","0.652","","","","has coordinates","243920","2020-10-21","18:00:00",""
"7125496","5.5813","0.0001","8.8467","0.0001","35.6588","0.0003","90","","90","","90","","1760.69","0.04","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","zopiclone","(6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-oxo-5H-pyrrolo(3,4-b)pyrazin-5-yl)-4- methyl-1-piperazine carboxylate","","- C17 Cl N6 O3 -","- C17 Cl N6 O3 -","- C68 Cl4 N24 O12 -","4","1","","Shankland, N.; David, W. I.; Shankland, K.; Kennedy, A. R.; Frampton, C. S.; Florence, A. J.","Structural transformations in zopiclone.","Chemical communications (Cambridge, England)","2001","","21","2204","2205","10.1039/b107075d","powder diffraction","","0.80008","","","","","","","","","","","2.34","","","","","","","has coordinates","243965","2020-10-21","18:00:00",""
"7125497","5.5054","0.0001","8.7686","0.0002","35.5277","0.0007","90","","90","","90","","1715.09","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","zopiclone","(6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-oxo-5H-pyrrolo (3,4-b)pyrazin-5-yl)-4-methyl-1-piperazine carboxylate","","- C17 H17 Cl N6 O3 -","- C17 H17 Cl N6 O3 -","- C68 H68 Cl4 N24 O12 -","4","1","","Shankland, N.; David, W. I.; Shankland, K.; Kennedy, A. R.; Frampton, C. S.; Florence, A. J.","Structural transformations in zopiclone.","Chemical communications (Cambridge, England)","2001","","21","2204","2205","10.1039/b107075d","","","0.71073","MoKα","","0.0542","0.0394","","","0.079","0.0841","","","","","","1.04","","","","has coordinates","243965","2020-10-21","18:00:00",""
"7125498","5.5023","0.0001","8.7676","0.0002","35.5314","0.0007","90","","90","","90","","1714.1","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","zopiclone","(6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-oxo-5H-pyrrolo(3,4-b)pyrazin-5-yl) -4-methyl-1-piperazine carboxylate","","- C17 H17 Cl N6 O3 -","- C17 H17 Cl N6 O3 -","- C68 H68 Cl4 N24 O12 -","4","1","","Shankland, N.; David, W. I.; Shankland, K.; Kennedy, A. R.; Frampton, C. S.; Florence, A. J.","Structural transformations in zopiclone.","Chemical communications (Cambridge, England)","2001","","21","2204","2205","10.1039/b107075d","","","0.71073","MoKα","","0.0493","0.038","","","0.0794","0.0844","","","","","","1.06","","","","has coordinates","243965","2020-10-21","18:00:00",""
"7125531","9.7493","0.0009","15.794","0.0015","17.251","0.002","90","","90","","90","","2656.3","0.5","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 N O10 S -","- C24 H32.152 N O10 S -","- C96 H128.608 N4 O40 S4 -","4","1","","Enders, D.; Berner, O. M.; Vignola, N.; Bats, J. W.","Diastereo- and enantioselective synthesis of alpha,beta-disubstituted gamma-nitro methyl sulfonates.","Chemical communications (Cambridge, England)","2001","","23","2498","2499","10.1039/b108567k","","","0.71073","MoKα","","0.0629","0.0479","","","0.1073","0.1125","","","","","","1.22","","","","has coordinates,has disorder","243990","2020-10-21","18:00:00",""
"7125550","9.868","0.001","10.32","0.001","18.84","0.001","90","","90","","90","","1918.6","0.3","180","","180","2","","","","","","","synthesized by the authors / see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl2 N3 Ti -","- C20 H19 Cl2 N3 Ti -","- C80 H76 Cl8 N12 Ti4 -","4","1","","Kretschmer, Winfried P.; Dijkhuis, Chris; Meetsma, Auke; Hessen, Bart; Teuben, Jan H.","A highly efficient titanium-based olefin polymerisation catalyst with a monoanionic iminoimidazolidide pi-donor ancillary ligand.","Chemical communications (Cambridge, England)","2002","","6","608","609","10.1039/b111343g","","","0.71073","MoKα","","0.0374","0.0316","","","0.0735","0.0764","","","","","","1.062","","","","has coordinates","244013","2020-10-21","18:00:00",""
"7125578","8.439","0.0002","14.581","0.0004","21.989","0.0005","90","","90","","90","","2705.73","0.12","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H48 Cl N P2 Ru -","- C23 H48 Cl N P2 Ru -","- C92 H192 Cl4 N4 P8 Ru4 -","4","1","","Kuznetsov, Vladimir F.; Lough, Alan J.; Gusev, Dmitry G.","Triple C-H activation of 1,5-bis(di-tert-butylphosphino)-2-(S)-dimethylaminopentane on ruthenium gives a chiral carbene complex.","Chemical communications (Cambridge, England)","2002","","20","2432","2433","10.1039/b208325f","","","0.71073","MoKα","","0.0696","0.0405","","","0.0745","0.084","","","","","","1.027","","","","has coordinates","244058","2020-10-21","18:00:00",""
"7125584","12.2666","0.0002","13.1709","0.0002","14.3918","0.0002","90","","90","","90","","2325.17","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N4 Zn -","- C24 H32 N4 Zn -","- C96 H128 N16 Zn4 -","4","1","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.","Structurally-defined direct C-magnesiation and C-zincation of N-heterocyclic aromatic compounds using alkali-metal-mediated metallation.","Chemical communications (Cambridge, England)","2007","","27","2864","2866","10.1039/b704362g","","","0.71073","MoKα","","0.0444","0.0309","","","0.0557","0.0601","","","","","","1.024","","","","has coordinates,has disorder","244079","2020-10-21","18:00:00",""
"7125585","10.9318","0.0003","14.4362","0.0004","17.5664","0.0005","90","","90","","90","","2772.22","0.13","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H49 N4 Na Zn -","- C24 H49 N4 Na Zn -","- C96 H196 N16 Na4 Zn4 -","4","1","","Conway, Ben; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.","Structurally-defined direct C-magnesiation and C-zincation of N-heterocyclic aromatic compounds using alkali-metal-mediated metallation.","Chemical communications (Cambridge, England)","2007","","27","2864","2866","10.1039/b704362g","","","0.71073","MoKα","","0.0361","0.0271","","","0.0523","0.056","","","","","","1.057","","","","has coordinates","244079","2020-10-21","18:00:00",""
"7125599","10.1","0.005","10.997","0.005","16.768","0.005","90","","90","","90","","1862.4","1.4","293","2","293","2","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N3 O3 -","- C17 H29 N3 O3 -","- C68 H116 N12 O12 -","4","1","","Reddy, Damodara N.; Thirupathi, Ravula; Prabhakaran, Erode N.","Accessing the disallowed conformations of peptides employing amide-to-imidate modification.","Chemical communications (Cambridge, England)","2011","47","33","9417","9419","10.1039/c1cc13515e","","x-ray","0.71073","MoKα","","0.0883","0.0532","","","0.1395","0.1541","","","","","","1.037","","","","has coordinates","244142","2020-10-21","18:00:00",""
"7125617","11.762","0.006","14.725","0.007","21.3","0.009","90","","90","","90","","3689","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H49 Cu F6 N3 Sb Si3 -","- C28 H49 Cu F6 N3 Sb Si3 -","- C112 H196 Cu4 F24 N12 Sb4 Si12 -","4","1","","Parvin, Nasrina; Hossain, Jabed; George, Anjana; Parameswaran, Pattiyil; Khan, Shabana","N-heterocyclic silylene stabilized monocordinated copper(i)-arene cationic complexes and their application in click chemistry.","Chemical communications (Cambridge, England)","2019","56","2","273","276","10.1039/c9cc09115g","","","0.71073","MoKα","","0.0748","0.0442","","","0.0931","0.1065","","","","","","1.049","","","","has coordinates","247593","2020-10-21","18:00:00",""
"7125633","30.621","0.003","9.4757","0.0008","13.0926","0.0012","90","","90","","90","","3798.9","0.6","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H40 N2 O4 S2 -","- C48 H40 N2 O4 S2 -","- C192 H160 N8 O16 S8 -","4","1","","Chai, Danyang; Zou, Yang; Xiang, Yepeng; Zeng, Xuan; Chen, Zhanxiang; Gong, Shaolong; Yang, Chuluo","Fused twin-acridine scaffolds as electron donors for thermally activated delayed fluorescence emitters: controllable TADF behavior by methyl substitution","Chemical Communications","2019","","","","","10.1039/C9CC08679J","","","0.71073","MoKα","","0.108","0.0822","","","0.2042","0.2283","","","","","","1.044","","","","has coordinates","244816","2020-10-21","18:00:00",""
"7125680","10.60635","0.00016","16.6805","0.0003","19.3703","0.0002","90","","90","","90","","3426.98","0.09","120","1","120","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 B Mg N3 O5 -","- C38 H44 B Mg N3 O5 -","- C152 H176 B4 Mg4 N12 O20 -","4","1","","Vasilenko, Vladislav; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Borohydride intermediates pave the way for magnesium-catalysed enantioselective ketone reduction.","Chemical communications (Cambridge, England)","2020","56","8","1203","1206","10.1039/c9cc09111d","","x-ray","0.71073","MoKα","","0.067","0.0496","","","0.1127","0.1207","","","","","","1.025","","","","has coordinates,has disorder","247582","2020-10-21","18:00:00",""
"7125713","9.43565","0.00016","16.9768","0.0003","19.2055","0.0003","90","","90","","90","","3076.47","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H38 O3 S -","- C37 H38 O3 S -","- C148 H152 O12 S4 -","4","1","","You, Yong; Li, Ting-Ting; Yuan, Shu-Pei; Xie, Ke-Xin; Wang, Zhen-Hua; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Yuan, Wei-Cheng","Catalytic asymmetric [4+2] cycloaddition of 1-((2-aryl)vinyl)naphthalen-2-ols with in situ generated ortho-quinone methides for the synthesis of polysubstituted chromanes.","Chemical communications (Cambridge, England)","2020","56","3","439","442","10.1039/c9cc08316b","","x-ray","1.54184","CuKα","","0.0567","0.049","","","0.1287","0.1375","","","","","","1.033","","","","has coordinates","246447","2020-10-21","18:00:00",""
"7125768","8.2526","0.0009","9.1103","0.001","21.0646","0.0018","90","","90","","90","","1583.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Cl N2 -","- C18 H19 Cl N2 -","- C72 H76 Cl4 N8 -","4","1","","Liu, Xiaobing; Zhou, Yao; Song, Qiuling","Metal-free cyclization of unsaturated hydrazones for the divergent assembly of pyrazolones and pyrazolines.","Chemical communications (Cambridge, England)","2019","55","61","8943","8946","10.1039/c9cc04039k","","x-ray","0.71073","MoKα","","0.1048","0.0608","","","0.0919","0.1062","","","","","","1.01","","","","has coordinates","246594","2020-10-21","18:00:00",""
"7125769","7.5867","0.0003","14.1693","0.0004","16.4025","0.0005","90","","90","","90","","1763.24","0.1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Cl F3 N O4 S -","- C17 H11 Cl F3 N O4 S -","- C68 H44 Cl4 F12 N4 O16 S4 -","4","1","","Zhang, Zhen-Zhen; Zhang, Yongna; Duan, Hui-Xin; Deng, Zhuo-Fei; Wang, You-Qing","Enantioselective (3+2) cycloaddition via N-heterocyclic carbene-catalyzed addition of homoenolates to cyclic N-sulfonyl trifluoromethylated ketimines: synthesis of fused N-heterocycle γ-lactams.","Chemical communications (Cambridge, England)","2020","56","10","1553","1556","10.1039/c9cc09269b","","x-ray","1.54184","CuKα","","0.0424","0.0375","","","0.0915","0.0963","","","","","","1.059","","","","has coordinates","248804","2020-10-21","18:00:00",""
"7125770","10.501","0.002","12.436","0.003","19.235","0.004","90","","90","","90","","2511.9","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H22 F3 Fe N O -","- C31 H22 F3 Fe N O -","- C124 H88 F12 Fe4 N4 O4 -","4","1","","Jia, Lixiang; Liu, Xiaobing; Zhang, An-An; Wang, Tao; Hua, Yuanzhao; Li, Heng; Liu, Lantao","Synthesis of planar chiral ferrocenes via a Pd(0)-catalyzed syn-carbopalladation/asymmetric C-H alkenylation process.","Chemical communications (Cambridge, England)","2020","56","11","1737","1740","10.1039/c9cc06529f","","","0.71073","MoKα","","0.0931","0.0478","","","0.1157","0.1346","","","","","","1.023","","","","has coordinates","248853","2020-10-21","18:00:00",""
"7125776","11.4032","0.0017","16.0552","0.0014","21.7377","0.0013","90","","90","","90","","3979.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Br N2 O3 -","- C24 H19 Br N2 O3 -","- C192 H152 Br8 N16 O24 -","8","2","","Lei, Jie; Song, Gui-Ting; He, Liu-Jun; Luo, Ya-Fei; Tang, Dian-Yong; Lin, Hui-Kuan; Frett, Brendan; Li, Hong-Yu; Chen, Zhong-Zhu; Xu, Zhi-Gang","One-pot construction of functionalized aziridines and maleimides via a novel pseudo-Knoevenagel cascade reaction.","Chemical communications (Cambridge, England)","2020","56","14","2194","2197","10.1039/c9cc08220d","","","0.71073","MoKα","","0.1118","0.0475","","","0.0818","0.0925","","","","","","1.015","","","","has coordinates","248835","2020-10-21","18:00:00",""
"7125786","10.316","0.002","14.614","0.003","31.37","0.006","90","","90","","90","","4729.3","1.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H60 O10 Si2 -","- C48 H60 O10 Si2 -","- C192 H240 O40 Si8 -","4","1","","Zhao, Yachen; Wang, Shengyang; Yu, Biao","Dimerization of aldosuloses and aldonolactones into branched higher carbon sugars.","Chemical communications (Cambridge, England)","2020","56","13","2020","2022","10.1039/c9cc09093b","","","1.54178","CuKα","","0.0505","0.0401","","","0.0966","0.1028","","","","","","1.034","","","","has coordinates","248827","2020-10-21","18:00:00",""
"7125791","9.9589","0.0002","10.3374","0.0002","17.3428","0.0003","90","","90","","90","","1785.43","0.06","241","2","241","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","1","","Ruan, Sai; Zhong, Xia; Chen, Quangang; Feng, Xiaoming; Liu, Xiaohua","An asymmetric hydrocyanation/Michael reaction of α-diazoacetates via Cu(i)/chiral guanidine catalysis.","Chemical communications (Cambridge, England)","2020","56","14","2155","2158","10.1039/c9cc09521g","","","1.54178","CuKα","","0.038","0.0366","","","0.094","0.0956","","","","","","0.99","","","","has coordinates","248834","2020-10-21","18:00:00",""
"7125795","7.6521","0.0001","11.7979","0.0002","20.7618","0.0003","90","","90","","90","","1874.35","0.05","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 B Br F2 N3 O -","- C19 H21 B Br F2 N3 O -","- C76 H84 B4 Br4 F8 N12 O4 -","4","1","","Ren, Xiaojie; Zhang, Fan; Luo, Hongchen; Liao, Lide; Song, Xiangzhi; Chen, Wenqiang","Red-emitting boron difluoride complexes with a mega-large Stokes shift and unexpectedly high fluorescence quantum yield.","Chemical communications (Cambridge, England)","2020","56","14","2159","2162","10.1039/c9cc09523c","","","0.71073","MoKα","","0.0402","0.0295","","","0.0647","0.0674","","","","","","1.009","","","","has coordinates","248836","2020-10-21","18:00:00",""
"7125828","9.0527","0.0001","10.5367","0.0001","17.9083","0.0002","90","","90","","90","","1708.19","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F2 N2 O4 -","- C18 H16 F2 N2 O4 -","- C72 H64 F8 N8 O16 -","4","1","","Kong, Wei-Xin; Xie, Shi-Jing; Cao, Chen-Yao-Zi; Zhang, Chao-Wei; Wang, Chuanyong; Duan, Wei-Liang","Asymmetric construction of quaternary α-nitro amides by palladium-catalyzed C(sp<sup>3</sup>)-H arylation.","Chemical communications (Cambridge, England)","2020","56","15","2292","2295","10.1039/c9cc07854a","","","1.54178","CuKα","","0.037","0.0351","","","0.1024","0.105","","","","","","1.066","","","","has coordinates","248843","2020-10-21","18:00:00",""
"7125852","13.4978","0.0005","14.1387","0.0005","35.9568","0.0012","90","","90","","90","","6862","0.4","100","0.2","100","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H57 N11 Ni7 O43 P W9 -","- C23 H57 N11 Ni7 O43 P W9 -","- C92 H228 N44 Ni28 O172 P4 W36 -","4","1","","Wang, Sa-Sa; Yang, Wen-Bin; Yang, Mingxue; Wu, Xiao-Yuan; Wu, Weiming; Wang, Song-Xia; Lin, Lang; Lu, Can-Zhong","A bi-polyoxometallate-based host-guest metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","16","2503","2506","10.1039/c9cc09008h","","x-ray","0.71073","MoKα","","0.0413","0.0371","","","0.0804","0.0826","","","","","","1.046","","","","has coordinates,has disorder","248822","2020-10-21","18:00:00",""
"7125853","13.4578","0.0004","14.1507","0.0006","36.0116","0.0011","90","","90","","90","","6858","0.4","100","0.2","100","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","orthorhombic","","- C23 H58 N10 Ni7 O43 P W9 -","- C23 H60 N10 Ni7 O44 P W9 -","- C92 H240 N40 Ni28 O176 P4 W36 -","4","1","","Wang, Sa-Sa; Yang, Wen-Bin; Yang, Mingxue; Wu, Xiao-Yuan; Wu, Weiming; Wang, Song-Xia; Lin, Lang; Lu, Can-Zhong","A bi-polyoxometallate-based host-guest metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","16","2503","2506","10.1039/c9cc09008h","","x-ray","0.71073","MoKα","","0.044","0.0376","","","0.0764","0.0793","","","","","","1.014","","","","has coordinates,has disorder","248822","2020-10-21","18:00:00",""
"7125854","13.5091","0.0002","14.2789","0.0002","36.111","0.0006","90","","90","","90","","6965.63","0.18","100","0.11","100","0.11","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H60 N10 Ni7 O45 P W9 -","- C23 H60 N10 Ni7 O45 P W9 -","- C92 H240 N40 Ni28 O180 P4 W36 -","4","1","","Wang, Sa-Sa; Yang, Wen-Bin; Yang, Mingxue; Wu, Xiao-Yuan; Wu, Weiming; Wang, Song-Xia; Lin, Lang; Lu, Can-Zhong","A bi-polyoxometallate-based host-guest metal-organic framework.","Chemical communications (Cambridge, England)","2020","56","16","2503","2506","10.1039/c9cc09008h","","x-ray","0.71073","MoKα","","0.0387","0.0372","","","0.0913","0.0924","","","","","","1.042","","","","has coordinates,has disorder","248822","2020-10-21","18:00:00",""
"7125900","7.3643","0.0008","8.6863","0.001","22.636","0.003","90","","90","","90","","1448","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F3 O4 -","- C15 H15 F3 O4 -","- C60 H60 F12 O16 -","4","1","","Terashima, Kyu; Kawasaki-Takasuka, Tomoko; Agou, Tomohiro; Kubota, Toshio; Yamazaki, Takashi","Construction of trifluoromethylated quaternary stereocenters via p-quinone methides.","Chemical communications (Cambridge, England)","2020","56","20","3031","3034","10.1039/c9cc08936e","","","0.71073","MoKα","","0.0747","0.0569","","","0.1294","0.1461","","","","","","1.073","","","","has coordinates","250191","2020-10-21","18:00:00",""
"7125902","9.34005","0.00017","9.81274","0.00018","26.8301","0.0019","90","","90","","90","","2459.02","0.19","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O6 S -","- C28 H27 N O6 S -","- C112 H108 N4 O24 S4 -","4","1","","Kondo, Masaru; Wathsala, H. D. P.; Sako, Makoto; Hanatani, Yutaro; Ishikawa, Kazunori; Hara, Satoshi; Takaai, Takayuki; Washio, Takashi; Takizawa, Shinobu; Sasai, Hiroaki","Exploration of flow reaction conditions using machine-learning for enantioselective organocatalyzed Rauhut-Currier and [3+2] annulation sequence.","Chemical communications (Cambridge, England)","2020","56","8","1259","1262","10.1039/c9cc08526b","","","1.54187","CuKα","","0.0393","0.0352","","","0.0809","0.0824","","","","","","1.041","","","","has coordinates","247544","2020-10-21","18:00:00",""
"7125906","9.94998","0.00009","15.8783","0.00014","31.7019","0.0003","90","","90","","90","","5008.54","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C60 H57 N3 O6 -","- C60 H57 N3 O6 -","- C240 H228 N12 O24 -","4","1","","Lu, Fo-Yun; Chen, Yu-Jue; Chen, Yuan; Ding, Xuan; Guan, Zhi; He, Yan-Hong","Highly enantioselective electrosynthesis of C2-quaternary indolin-3-ones.","Chemical communications (Cambridge, England)","2020","56","4","623","626","10.1039/c9cc09178e","","","1.54184","CuKα","","0.041","0.038","","","0.0969","0.0996","","","","","","1.052","","","","has coordinates","247547","2020-10-21","18:00:00",""
"7125907","10.0005","0.0001","15.089","0.0001","23.6172","0.0002","90","","90","","90","","3563.78","0.05","278","30","278","30","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17.27 Cl N O2 -","- C20 H17.2735 Cl N O2 -","- C160 H138.188 Cl8 N8 O16 -","8","2","","Lu, Fo-Yun; Chen, Yu-Jue; Chen, Yuan; Ding, Xuan; Guan, Zhi; He, Yan-Hong","Highly enantioselective electrosynthesis of C2-quaternary indolin-3-ones.","Chemical communications (Cambridge, England)","2020","56","4","623","626","10.1039/c9cc09178e","","x-ray","1.54184","CuKα","","0.0395","0.0376","","","0.1011","0.1034","","","","","","1.05","","","","has coordinates,has disorder","247547","2020-10-21","18:00:00",""
"7125937","7.6085","0.001","18.276","0.003","18.693","0.002","90","","90","","90","","2599.3","0.6","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 O3 -","- C30 H42 O3 -","- C120 H168 O12 -","4","1","","Wang, Wen-Li; Liu, Xiao-Qin; Zhang, Mei-Hui; Lin, Bin; Zhu, Dong-Rong; Li, Ling-Nan; Chen, Chen; Han, Chao; Luo, Jian-Guang; Kong, Ling-Yi","Taxodisones A and B: bioactive C<sub>30</sub>-terpenes with new skeletons from Taxodium distichum and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","22","3329","3332","10.1039/c9cc09433d","","","1.54184","CuKα","","0.034","0.0316","","","0.0851","0.087","","","","","","1.022","","","","has coordinates","250165","2020-10-21","18:00:00",""
"7125981","10.313","0.0003","14.7947","0.0004","15.8422","0.0004","90","","90","","90","","2417.17","0.11","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 N3 O2 S -","- C30 H23 N3 O2 S -","- C120 H92 N12 O8 S4 -","4","1","","Ni, Qijian; Wang, Xuyang; Xu, Fangfang; Chen, Xiaoyun; Song, Xiaoxiao","Organocatalytic asymmetric [4+2] cyclization of 2-benzothiazolimines with azlactones: access to chiral benzothiazolopyrimidine derivatives.","Chemical communications (Cambridge, England)","2020","56","21","3155","3158","10.1039/d0cc00736f","","","0.71073","MoKα","","0.0532","0.0385","","","0.0918","0.1019","","","","","","1.053","","","","has coordinates","250203","2020-10-21","18:00:00",""
"7125994","8.5516","0.0003","10.2011","0.0003","33.0145","0.0008","90","","90","","90","","2880.04","0.15","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 Cl2 N4 Ni O8 S2 -","- C26 H24 Cl2 N4 Ni O8 S2 -","- C104 H96 Cl8 N16 Ni4 O32 S8 -","4","1","","Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya","Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.","Chemical communications (Cambridge, England)","2020","56","19","2829","2832","10.1039/c9cc09568c","","","0.71075","MoKα","","0.0554","0.0505","","","0.1228","0.1271","","","","","","1.043","","","","has coordinates,has disorder","250177","2020-10-21","18:00:00",""
"7125999","4.2743","0.0005","15.4368","0.0016","24.939","0.003","90","","90","","90","","1645.5","0.3","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Br N O3 -","- C20 H14 Br N O3 -","- C80 H56 Br4 N4 O12 -","4","1","","Li, Xingjun; Wang, Jiang; Xie, Xiong; Dai, Wenhao; Han, Xu; Chen, Kaixian; Liu, Hong","Ir(iii)-Catalyzed direct C-H functionalization of N-phenylacetamide with α-diazo quinones: a novel strategy for producing 2-hydroxy-2'-amino-1,2'-biaryl scaffolds.","Chemical communications (Cambridge, England)","2020","56","23","3441","3444","10.1039/c9cc08297b","","","0.71073","MoKα","","0.098","0.0513","","","0.0967","0.1169","","","","","","0.997","","","","has coordinates","250196","2020-10-21","18:00:00",""
"7126003","5.7902","0.0001","8.6739","0.0001","32.4787","0.0004","90","","90","","90","","1631.2","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F3 N O2 -","- C18 H18 F3 N O2 -","- C72 H72 F12 N4 O8 -","4","1","","Sun, Xi-Shang; Ou-Yang, Qiu; Xu, Shi-Ming; Wang, Xing-Heng; Tao, Hai-Yan; Chung, Lung Wa; Wang, Chun-Jiang","Asymmetric synthesis of quaternary α-trifluoromethyl α-amino acids by Ir-catalyzed allylation followed by kinetic resolution.","Chemical communications (Cambridge, England)","2020","56","22","3333","3336","10.1039/d0cc00845a","","x-ray","1.54184","CuKα","","0.0295","0.0284","","","0.0697","0.0703","","","","","","1.063","","","","has coordinates","250158","2020-10-21","18:00:00",""
"7126006","5.4911","0.0001","10.5173","0.0002","18.2619","0.0003","90","","90","","90","","1054.65","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N3 O5 -","- C9 H9 N3 O5 -","- C36 H36 N12 O20 -","4","1","","Fellowes, Thomas; Harris, Benjamin L.; White, Jonathan M.","Experimental evidence of chalcogen bonding at oxygen.","Chemical communications (Cambridge, England)","2020","56","22","3313","3316","10.1039/c9cc09896h","","x-ray","0.71073","MoKα","","0.0478","0.0378","","","0.0985","0.1032","","","","","","1.044","","","","has coordinates","250161","2020-10-21","18:00:00",""
"7126072","9.033","0.003","11.082","0.004","24.474","0.009","90","","90","","90","","2449.9","1.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl Mn N5 O6 -","- C24 H23 Cl Mn N5 O6 -","- C96 H92 Cl4 Mn4 N20 O24 -","4","1","","Chai, Xiaomin; Huang, Hai-Hua; Liu, Huiping; Ke, Zhuofeng; Yong, Wen-Wen; Zhang, Ming-Tian; Cheng, Yuan-Sheng; Wei, Xian-Wen; Zhang, Liyan; Yuan, Guozan","Highly efficient and selective photocatalytic CO<sub>2</sub> to CO conversion in aqueous solution.","Chemical communications (Cambridge, England)","2020","56","27","3851","3854","10.1039/d0cc00879f","","","0.71073","MoKα","","0.0694","0.0546","","","0.1573","0.1702","","","","","","1.024","","","","has coordinates","250168","2020-10-21","18:00:00",""
"7126125","9.0542","0.0004","12.4973","0.0006","18.9834","0.0007","90","","90","","90","","2148.03","0.16","298.15","","298.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C120 H80 N8 -","4","1","","Liu, Xiaobing; Sheng, Heyun; Zhou, Yao; Song, Qiuling","Palladium-catalyzed C-H bond activation for the assembly of N-aryl carbazoles with aromatic amines as nitrogen sources.","Chemical communications (Cambridge, England)","2020","56","11","1665","1668","10.1039/c9cc09493h","","x-ray","0.71073","MoKα","","0.0798","0.0482","","","0.0816","0.0913","","","","","","1.041","","","","has coordinates","248740","2020-10-21","18:00:00",""
"7126146","9.1724","0.0002","11.6412","0.0003","22.267","0.0006","90","","90","","90","","2377.62","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N2 O2 P -","- C28 H29 N2 O2 P -","- C112 H116 N8 O8 P4 -","4","1","","Lundrigan, Travis; Tien, Chieh-Hung; Robertson, Katherine N.; Speed, Alexander W. H.","Air and water stable secondary phosphine oxides as diazaphospholene precatalysts.","Chemical communications (Cambridge, England)","2020","56","58","8027","8030","10.1039/d0cc01072c","","","1.54178","CuKα","","0.0367","0.0365","","","0.0955","0.0955","","","","","","1.158","","","","has coordinates,has disorder","254870","2020-10-21","18:00:00",""
"7126149","8.8208","0.0005","11.9769","0.0012","14.7126","0.0009","90","","90","","90","","1554.3","0.2","293","2","293","2","","","","","","","From datablock 20190366","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Zhao, Sihan; Cheng, Shaobing; Liu, Hui; Zhang, Jiayan; Liu, Min; Yuan, Weicheng; Zhang, Xiaomei","Synthesis of chiral [2,3]-fused indolines through enantioselective dearomatization inverse-electron-demand Diels-Alder reaction/oxidation of indoles with 2-(2-nitrovinyl)-1,4-benzoquinone.","Chemical communications (Cambridge, England)","2020","56","30","4200","4203","10.1039/d0cc00693a","","","1.54184","CuKα","","0.0493","0.0434","","","0.1111","0.1181","","","","","","1.033","","","","has coordinates","282922","2023-04-29","19:21:52",""
"7126150","8.8208","0.0005","11.9769","0.0012","14.7126","0.0009","90","","90","","90","","1554.3","0.2","293","2","293","2","","","","","","","From datablock 20190366_CCDC1","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Zhao, Sihan; Cheng, Shaobing; Liu, Hui; Zhang, Jiayan; Liu, Min; Yuan, Weicheng; Zhang, Xiaomei","Synthesis of chiral [2,3]-fused indolines through enantioselective dearomatization inverse-electron-demand Diels-Alder reaction/oxidation of indoles with 2-(2-nitrovinyl)-1,4-benzoquinone.","Chemical communications (Cambridge, England)","2020","56","30","4200","4203","10.1039/d0cc00693a","","x-ray","1.54184","CuKα","","0.0493","0.0434","","","0.1111","0.1181","","","","","","1.033","","","","has coordinates","282922","2023-04-29","19:21:52",""
"7126160","9.9978","0.0004","13.3597","0.0005","21.3413","0.0009","90","","90","","90","","2850.5","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","RK-459","","- C19 H34 N O7 P Si3 W -","- C19 H34 N O7 P Si3 W -","- C76 H136 N4 O28 P4 Si12 W4 -","4","1","","Kunzmann, Robert; Omatsu, Yamato; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Yanagisawa, Tatsuya; Tokitoh, Norihiro; Streubel, Rainer","A synthetic equivalent for unknown 1,3-zwitterions? - A K/OR phosphinidenoid complex with an additional Si-Cl function.","Chemical communications (Cambridge, England)","2020","56","27","3899","3902","10.1039/d0cc00024h","","","0.71073","MoKα","","0.0196","0.0175","","","0.0363","0.0371","","","","","","1.041","","","","has coordinates","250172","2020-10-21","18:00:00",""
"7126171","10.8463","0.0002","20.3999","0.0004","21.4989","0.0004","90","","90","","90","","4756.92","0.16","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H41 F8 N5 O Ru -","- C60 H41 F8 N5 O Ru -","- C240 H164 F32 N20 O4 Ru4 -","4","1","","Shing, Ka-Pan; Wan, Qingyun; Chang, Xiao-Yong; Che, Chi-Ming","The first crystallographically characterised ruthenium(vi) alkylimido porphyrin competent for aerobic epoxidation and hydrogen atom abstraction.","Chemical communications (Cambridge, England)","2020","56","32","4428","4431","10.1039/c9cc09972g","","x-ray","1.54178","CuKα","","0.0387","0.038","","","0.1019","0.1027","","","","","","1.051","","","","has coordinates","251556","2020-10-21","18:00:00",""
"7126180","11.21","","17.1917","","19.618","","90","","90","","90","","3780.76","","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H15 Cl3 N4 -","- C24.5 H15 Cl N4 -","- C196 H120 Cl8 N32 -","8","2","","Otani, Takashi; Sasayama, Takuma; Iwashimizu, Chisaki; Kanyiva, Kyalo Stephen; Kawai, Hidetoshi; Shibata, Takanori","Short-step synthesis and chiroptical properties of polyaza[5]-[9]helicenes with blue to green-colour emission.","Chemical communications (Cambridge, England)","2020","56","32","4484","4487","10.1039/d0cc01194k","","","1.54187","CuKα","","0.0667","0.0628","","","0.166","0.1696","","","","","","1.021","","","","has coordinates","251550","2020-10-21","18:00:00",""
"7126209","8.4235","0.0005","10.6627","0.0007","12.6898","0.0008","90","","90","","90","","1139.76","0.12","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O2 -","- C14 H16 O2 -","- C56 H64 O8 -","4","1","","Zhou, Pan; Xu, Tao","Nickel-catalyzed intramolecular desymmetrization addition of aryl halides to 1,3-diketones.","Chemical communications (Cambridge, England)","2020","56","59","8194","8197","10.1039/d0cc00457j","","","1.34138","GaKα","","0.0287","0.0274","","","0.0704","0.0721","","","","","","1.048","","","","has coordinates","254906","2020-10-21","18:00:00",""
"7126235","9.1094","0.0002","10.3354","0.0002","14.8756","0.0003","90","","90","","90","","1400.53","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","sporormielone E","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","1","","Chen, Guo-Dong; Hu, Dan; Huang, Mei-Juan; Tang, Jia; Wang, Xiao-Xia; Zou, Jian; Xie, Jun; Zhang, Wei-Guang; Guo, Liang-Dong; Yao, Xin-Sheng; Abe, Ikuro; Gao, Hao","Sporormielones A-E, bioactive novel C-C coupled orsellinic acid derivative dimers, and their biosynthetic origin.","Chemical communications (Cambridge, England)","2020","56","33","4607","4610","10.1039/d0cc00855a","","x-ray","1.54178","CuKα","","0.039","0.0376","","","0.1034","0.1044","","","","","","1.056","","","","has coordinates","251558","2020-10-21","18:00:00",""
"7126292","15.3077","0.0003","17.0493","0.0003","35.2582","0.0008","90","","90","","90","","9201.9","0.3","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C112 H98 B F4 Ir2 O4 P4 -","- C112 H98 B F4 Ir2 O4 P4 -","- C448 H392 B4 F16 Ir8 O16 P16 -","4","1","","Sofue, Yuki; Nomura, Kotohiro; Inagaki, Akiko","On-demand hydrogen production from formic acid by light-active dinuclear iridium catalysts.","Chemical communications (Cambridge, England)","2020","56","33","4519","4522","10.1039/d0cc00704h","","","0.71073","MoKα","","0.0726","0.0689","","","0.1663","0.1687","","","","","","1.009","","","","has coordinates","251563","2020-10-21","18:00:00",""
"7126293","9.8433","0.0001","8.532","0.0001","14.8241","0.0002","90","","90","","90","","1244.97","0.03","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0376","0.0373","","","0.0974","0.0976","","","","","","1.07","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126294","10.2018","0.0003","8.5037","0.0002","14.948","0.0004","90","","90","","90","","1296.78","0.06","279.99","0.1","279.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0536","0.0516","","","0.1343","0.138","","","","","","1.081","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126295","9.9126","0.0001","8.5286","0.0001","14.8615","0.0002","90","","90","","90","","1256.4","0.03","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0375","0.0373","","","0.0975","0.0978","","","","","","1.048","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126296","10.0838","0.0001","8.515","0.0001","14.9235","0.0002","90","","90","","90","","1281.38","0.03","240","0.1","240","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0425","0.0415","","","0.108","0.1095","","","","","","1.052","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126300","9.9983","0.0001","8.5234","0.0001","14.8981","0.0002","90","","90","","90","","1269.61","0.03","200.01","0.1","200.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0377","0.0373","","","0.0982","0.0987","","","","","","1.048","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126301","10.135","0.0002","8.5134","0.0001","14.9364","0.0003","90","","90","","90","","1288.76","0.04","260","0.1","260","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.0429","0.0421","","","0.1091","0.1107","","","","","","1.041","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126303","10.0402","0.0001","8.5197","0.0001","14.913","0.0002","90","","90","","90","","1275.65","0.03","220.01","0.1","220.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Fe K N7 O -","- C7 H8 Fe K N7 O -","- C28 H32 Fe4 K4 N28 O4 -","4","1","","Qiu, Rong-Guan; Chen, Xiao-Xian; Huang, Rui-Kang; Zhou, Dong-Dong; Xu, Wei-Jian; Zhang, Wei-Xiong; Chen, Xiao-Ming","Nitroprusside as a promising building block to assemble an organic-inorganic hybrid for thermo-responsive switching materials.","Chemical communications (Cambridge, England)","2020","56","41","5488","5491","10.1039/d0cc01877e","","x-ray","1.54178","CuKα","","0.039","0.0386","","","0.1015","0.1019","","","","","","1.028","","","","has coordinates","252690","2020-10-21","18:00:00",""
"7126324","5.5867","0.0013","10.71","0.003","28.421","0.008","90","","90","","90","","1700.5","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Pt -","- C21 H30 Pt -","- C84 H120 Pt4 -","4","1","","Ernst, Lukas D.; Koessler, Konstantin; Peter, Andreas; Kratzert, Daniel; Scherer, Harald; Butschke, Burkhard","A heterodinuclear, formal Au<sup>+I</sup>Pt<sup>0</sup> complex with weakly bound alkene ligands.","Chemical communications (Cambridge, England)","2020","56","40","5350","5353","10.1039/d0cc01719a","","x-ray","0.71073","MoKα","","0.0207","0.0183","","","0.0372","0.0376","","","","","","0.938","","","","has coordinates,has disorder","252712","2020-10-21","18:00:00",""
"7126354","8.0283","0.0005","10.563","0.0007","19.1653","0.0013","90","","90","","90","","1625.27","0.18","194","2","194","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N3 S -","- C20 H17 N3 S -","- C80 H68 N12 S4 -","4","1","","Guo, Tao; Wei, Xu-Ning; Zhang, Miao; Liu, Yu; Zhu, Li-Min; Zhao, Yun-Hui","Catalyst and additive-free oxidative dual C-H sulfenylation of imidazoheterocycles with elemental sulfur using DMSO as a solvent and an oxidant.","Chemical communications (Cambridge, England)","2020","56","43","5751","5754","10.1039/d0cc00043d","","","1.54178","cukα","","0.1179","0.1178","","","0.2958","0.2959","","","","","","1.093","","","","has coordinates","252696","2020-10-21","18:00:00",""
"7126417","11.5787","0.0004","16.5844","0.0005","17.9315","0.0006","90","","90","","90","","3443.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C144 H160 N16 O32 -","8","2","","Velázquez, Marta; Alberca, Saúl; Iglesias-Sigüenza, Javier; Fernández, Rosario; Lassaletta, José M; Monge, David","Catalytic enantioselective synthesis of α-aryl α-hydrazino esters and amides.","Chemical communications (Cambridge, England)","2020","56","43","5823","5826","10.1039/d0cc02478c","","","1.54178","CuKα","","0.0255","0.0254","","","0.0738","0.0741","","","","","","0.626","","","","has coordinates","252698","2020-10-21","18:00:00",""
"7126448","10.1246","0.0003","16.0039","0.0005","18.3736","0.0006","90","","90","","90","","2977.13","0.16","149.99","","149.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N4 O5 -","- C31 H38 N4 O5 -","- C124 H152 N16 O20 -","4","1","","Wang, Donglei; Jiang, Qianwen; Yang, Xiaoyu","Atroposelective synthesis of configurationally stable nonbiaryl N-C atropisomers through direct asymmetric aminations of 1,3-benzenediamines.","Chemical communications (Cambridge, England)","2020","56","46","6201","6204","10.1039/d0cc02368j","","","1.54178","CuKα","","0.0456","0.0411","","","0.1029","0.1066","","","","","","1.036","","","","has coordinates","253797","2020-10-21","18:00:00",""
"7126466","8.7643","0.0003","9.1745","0.0003","20.1935","0.0008","90","","90","","90","","1623.72","0.1","100.02","0.1","100.02","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 F I O4 -","- C18 H14 F I O4 -","- C72 H56 F4 I4 O16 -","4","1","","Tang, Pan-Ting; Shao, You-Xiang; Wang, Liang-Neng; Wei, Yi; Li, Ming; Zhang, Ni-Juan; Luo, Xiao-Peng; Ke, Zhuofeng; Liu, Yue-Jin; Zeng, Ming-Hua","Synthesis of seven-membered lactones by regioselective and stereoselective iodolactonization of electron-deficient olefins.","Chemical communications (Cambridge, England)","2020","56","49","6680","6683","10.1039/c9cc10080f","","x-ray","0.71073","MoKα","","0.0396","0.0333","","","0.0566","0.0597","","","","","","1.021","","","","has coordinates","253819","2020-10-21","18:00:00",""
"7126523","12.9156","0.0007","19.1434","0.0011","19.379","0.0012","90","","90","","90","","4791.4","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H70 B Br Li N2 O6 -","- C48 H70 B Br Li N2 O6 -","- C192 H280 B4 Br4 Li4 N8 O24 -","4","1","","Cui, Yunshu; Xiang, Libo; Wang, Junyi; Li, Chunlei; Hao, Wei; Ye, Qing","Storage and release of two electrons from an electron-rich carbon-carbon bond: boron mediated reversible coupling of DMAP and 9-azajulolidine.","Chemical communications (Cambridge, England)","2020","56","50","6794","6797","10.1039/d0cc01575j","","","0.71073","MoKα","","0.0399","0.0309","","","0.0887","0.099","","","","","","0.746","","","","has coordinates","253799","2020-10-21","18:00:00",""
"7126535","6.4331","0.0012","15.335","0.003","19.485","0.004","90","","90","","90","","1922.2","0.7","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","prism","","- C20 H26 O4 S -","- C20 H26 O4 S -","- C80 H104 O16 S4 -","4","1","","Mando, Morgane; Grellepois, Fabienne; Riguet, Emmanuel","Organocatalytic enantioselective allylic alkylation of α-aryl γ-lactones: an approach to densely functionalized quaternary stereocentres.","Chemical communications (Cambridge, England)","2020","56","49","6640","6643","10.1039/d0cc02058c","","","1.54178","CuKα","","0.0275","0.0263","","","0.0629","0.0637","","","","","","1.074","","","","has coordinates,has disorder","253817","2020-10-21","18:00:00",""
"7126536","7.5891","0.0003","10.7774","0.0005","17.9836","0.0006","90","","90","","90","","1470.89","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","","Ganesan, Balaji; Govindan, Karthick; Senadi, Gopal Chandru; Kandasamy, Mohanraj; Lin, Wei-Yu","Copper-catalyzed synthesis of aminoquinolines from β-(2-aminophenyl)-α,β-ynones using DMF as dual synthon.","Chemical communications (Cambridge, England)","2020","56","48","6488","6491","10.1039/d0cc03033c","","","0.71073","MoKα","","0.051","0.042","","","0.0986","0.1048","","","","","","1.068","","","","has coordinates","253813","2020-10-21","18:00:00",""
"7126541","11.3782","0.0012","11.4876","0.0011","13.5646","0.0015","90","","90","","90","","1773","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 B10 N2 -","- C13 H20 B10 N2 -","- C52 H80 B40 N8 -","4","1","","Chen, Yu; Quan, Yangjian; Xie, Zuowei","Ir-catalyzed selective dehydrogenative cross-coupling of aryls with o-carboranes via a mixed directing-group strategy.","Chemical communications (Cambridge, England)","2020","56","51","7001","7004","10.1039/d0cc02531c","","","0.71073","MoKα","","0.1113","0.0826","","","0.2131","0.2336","","","","","","1.037","","","","has coordinates","253776","2020-10-21","18:00:00",""
"7126564","5.7628","0.0007","7.2333","0.0007","9.7316","0.0011","90","","90","","90","","405.65","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- O4 Pb Si Sr -","- O4 Pb Si Sr -","- O16 Pb4 Si4 Sr4 -","4","1","","Jiang, Shutong; Zhou, Jinjie; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","PbSrSiO<sub>4</sub>: a new ultraviolet nonlinear optical material with a strong second harmonic generation response and moderate birefringence.","Chemical communications (Cambridge, England)","2020","56","52","7104","7107","10.1039/d0cc02123g","","","0.71073","MoKα","","0.0408","0.0384","","","0.0867","0.0917","","","","","","1.085","","","","has coordinates","253784","2020-10-21","18:00:00",""
"7126612","16.2771","0.0004","18.0042","0.0004","20.8139","0.0004","90","","90","","90","","6099.6","0.2","198","","198","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H100 K Mo2 N8 O2 P4 -","- C52 H100 K Mo2 N8 O2 P4 -","- C208 H400 K4 Mo8 N32 O8 P16 -","4","1","","Tanabe, Yoshiaki; Sekiguchi, Yoshiya; Tanaka, Hiromasa; Konomi, Asuka; Yoshizawa, Kazunari; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum complexes bearing pyrrole-based PNP-type pincer ligand.","Chemical communications (Cambridge, England)","2020","56","51","6933","6936","10.1039/d0cc02852e","","","0.71075","MoKα","","0.1279","0.0572","","","0.056","0.0635","","","","","","1","","","","has coordinates,has disorder","253772","2020-10-21","18:00:00",""
"7126614","9.9107","0.0003","12.0632","0.0003","14.3759","0.0004","90","","90","","90","","1718.71","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O -","- C24 H19 N O -","- C96 H76 N4 O4 -","4","1","","Li, Sifeng; Wang, Zihao; Xiao, Haitao; Bian, Zhaoxiang; Wang, Jun Joelle","Enantioselective synthesis of indole derivatives by Rh/Pd relay catalysis and their anti-inflammatory evaluation.","Chemical communications (Cambridge, England)","2020","56","55","7573","7576","10.1039/d0cc03158e","","x-ray","1.54178","CuKα","","0.0254","0.0249","","","0.0606","0.061","","","","","","1.065","","","","has coordinates","254861","2020-10-21","18:00:00",""
"7126615","5.27","0.05","7.44","0.05","18.99","0.08","90","","90","","90","","745","9","96","2","96","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Histidine","L-Histidine","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C24 H36 N12 O8 -","4","1","","Zapata, Fabiola; González, Lidia; Bastida, Adolfo; Bautista, Delia; Caballero, Antonio","Formation of self-assembled supramolecular polymers by anti-electrostatic anion-anion and halogen bonding interactions.","Chemical communications (Cambridge, England)","2020","56","52","7084","7087","10.1039/d0cc02831b","","","0.02508","electron","","0.2041","0.1981","","","0.4176","0.4285","","","","","","1.539","","","","has coordinates","253788","2020-10-21","18:00:00",""
"7126631","22.088","0.011","39.696","0.019","39.85","0.02","90","","90","","90","","34941","3","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C242 H444 Ag61 Cl5 S40 -","- C242 H439 Ag61 Cl5 S40 -","- C968 H1756 Ag244 Cl20 S160 -","4","1","","Chen, Tao; Yang, Sha; Song, Yongbo; Chai, Jinsong; Li, Qinzhen; Ma, Xiangyu; Li, Guang; Yu, Haizhu; Zhu, Manzhou","All-thiolate-stabilized Ag<sub>42</sub> nanocluster with a tetrahedral kernel and its transformation to an Ag<sub>61</sub> nanocluster with a bi-tetrahedral kernel.","Chemical communications (Cambridge, England)","2020","56","55","7605","7608","10.1039/d0cc02537b","","","0.71073","MoKα","","0.1429","0.0897","","","0.216","0.2502","","","","","","1.085","","","","has coordinates","254862","2020-10-21","18:00:00",""
"7126634","7.9823","0.0008","13.9805","0.0014","24.662","0.003","90","","90","","90","","2752.2","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H39 Br F12 N6 P2 -","- C17 H39 Br F12 N6 P2 -","- C68 H156 Br4 F48 N24 P8 -","4","1","","Shircliff, Anthony D.; Burke, Benjamin P.; Davilla, Dustin J.; Burgess, Gwendolyn E.; Okorocha, Faith A.; Shrestha, Alina; Allbritton, Elisabeth M. A.; Nguyen, Phillip T.; Lamar, Rachael L.; Jones, Donald G.; Gorbet, Michael-Joseph; Allen, Michael B.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Archibald, Stephen J.; Prior, Timothy J.; Krause, Jeanette A.; Oliver, Allen G.; Hubin, Timothy J.","An ethylene cross-bridged pentaazamacrocycle and its Cu<sup>2+</sup> complex: constrained ligand topology and excellent kinetic stability.","Chemical communications (Cambridge, England)","2020","56","54","7519","7522","10.1039/d0cc00919a","","","0.7749","synchrotron","","0.0486","0.0411","","","0.1072","0.1105","","","","","","1.069","","","","has coordinates","254915","2020-10-21","18:00:00",""
"7126660","7.4452","0.0004","18.8437","0.0009","21.3251","0.001","90","","90","","90","","2991.8","0.3","185.84","0.1","185.84","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 F3 N3 O3 S -","- C29 H46 F3 N3 O3 S -","- C116 H184 F12 N12 O12 S4 -","4","1","","Mandal, Debdeep; Stein, Felix; Chandra, Shubhadeep; Neuman, Nicolás I; Sarkar, Pallavi; Das, Shubhajit; Kundu, Abhinanda; Sarkar, Arighna; Rawat, Hemant; Pati, Swapan K.; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Trisubstituted geminal diazaalkene derived transient 1,2-carbodications.","Chemical communications (Cambridge, England)","2020","56","59","8233","8236","10.1039/d0cc02807j","","x-ray","0.71073","MoKα","","0.0419","0.0377","","","0.0925","0.0945","","","","","","1.047","","","","has coordinates","254911","2020-10-21","18:00:00",""
"7126670","6.5273","0.0005","17.4784","0.0013","19.2084","0.0014","90","","90","","90","","2191.4","0.3","253","0.1","253","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 F4 I2 N4 -","- C18 H24 F4 I2 N4 -","- C72 H96 F16 I8 N16 -","4","1","","Arhangelskis, Mihails; Topić, Filip; Hindle, Poppy; Tran, Ricky; Morris, Andrew J.; Cinčić, Dominik; Friščić, Tomislav","Mechanochemical reactions of cocrystals: comparing theory with experiment in the making and breaking of halogen bonds in the solid state.","Chemical communications (Cambridge, England)","2020","56","59","8293","8296","10.1039/d0cc02935a","","x-ray","0.71073","MoKα","","0.0683","0.0465","","","0.0754","0.0809","","","","","","1.072","","","","has coordinates","254902","2020-10-21","18:00:00",""
"7126701","9.2495","0.0003","10.7934","0.0004","35.831","0.0011","90","","90","","90","","3577.1","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 F12 N5 O2 Os P2 -","- C36 H29 F12 N5 O2 Os P2 -","- C144 H116 F48 N20 O8 Os4 P8 -","4","1","","Wang, Guanghui; Zhou, Zijun; Shen, Xiang; Ivlev, Sergei; Meggers, Eric","Asymmetric catalysis with a chiral-at-osmium complex.","Chemical communications (Cambridge, England)","2020","56","56","7714","7717","10.1039/d0cc03280h","","","0.71073","MoKα","","0.0491","0.0411","","","0.0674","0.0692","","","","","","1.108","","","","has coordinates,has disorder","254875","2020-10-21","18:00:00",""
"7126704","24.6057","0.0016","25.5361","0.0014","29.3687","0.0017","90","","90","","90","","18453.3","1.9","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C183 H285 Br6 Cl3 O20 -","- C183 H285 Br6 Cl3 O20 -","- C732 H1140 Br24 Cl12 O80 -","4","1","","Nagata, Yuuya; Suzuki, Misaki; Shimada, Yasuo; Sengoku, Hiroki; Nishida, Shungo; Kakuta, Takahiro; Yamagishi, Tada-Aki; Suginome, Michinori; Ogoshi, Tomoki","Holding of planar chirality of pillar[5]arene by kinetic trapping using host-guest interactions with achiral guest solvents.","Chemical communications (Cambridge, England)","2020","56","60","8424","8427","10.1039/d0cc03413d","","","0.71075","MoKα","","0.4349","0.1261","","","0.2118","0.319","","","","","","0.924","","","","has coordinates,has disorder","254895","2020-10-21","18:00:00",""
"7126705","15.581","0.003","22.162","0.004","23.828","0.004","90","","90","","90","","8228","3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C86 H132 Cl2 O10 -","- C86 H132 Cl2 O10 -","- C344 H528 Cl8 O40 -","4","1","","Nagata, Yuuya; Suzuki, Misaki; Shimada, Yasuo; Sengoku, Hiroki; Nishida, Shungo; Kakuta, Takahiro; Yamagishi, Tada-Aki; Suginome, Michinori; Ogoshi, Tomoki","Holding of planar chirality of pillar[5]arene by kinetic trapping using host-guest interactions with achiral guest solvents.","Chemical communications (Cambridge, England)","2020","56","60","8424","8427","10.1039/d0cc03413d","","","0.71075","MoKα","","0.3772","0.1583","","","0.2655","0.3425","","","","","","1.15","","","","has coordinates,has disorder","254895","2020-10-21","18:00:00",""
"7126730","8.9805","0.0001","11.7542","0.0002","18.4054","0.0003","90","","90","","90","","1942.85","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 Br2 N O2 -","- C23 H15 Br2 N O2 -","- C92 H60 Br8 N4 O8 -","4","1","","Yuan, Hairui; Du, Yuanbo; Liu, Fengting; Guo, Lirong; Sun, Qianyu; Feng, Lei; Gao, Hongyin","Tandem approach to NOBIN analogues from arylhydroxylamines and diaryliodonium salts via [3,3]-sigmatropic rearrangement.","Chemical communications (Cambridge, England)","2020","56","59","8226","8229","10.1039/d0cc02919j","","x-ray","1.54184","CuKα","","0.0379","0.0313","","","0.0735","0.0832","","","","","","1.062","","","","has coordinates","254908","2020-10-21","18:00:00",""
"7126750","9.8802","0.0004","10.6122","0.0004","13.9723","0.0005","90","","90","","90","","1465","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 F3 O3 S -","- C14 H13 F3 O3 S -","- C56 H52 F12 O12 S4 -","4","1","","Li, Maizhan; Zhou, Wei","Highly enantioselective [3+2] cycloadditions of terminal allenoates with β-trifluoromethyl α,β-enones.","Chemical communications (Cambridge, England)","2020","56","62","8842","8845","10.1039/d0cc02876b","","","0.71073","MoKα","","0.0465","0.0432","","","0.1219","0.1257","","","","","","1.074","","","","has coordinates","255997","2020-10-21","18:00:00",""
"7126766","5.8696","0.0004","10.0626","0.0008","20.142","0.0016","90","","90","","90","","1189.66","0.16","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","","Niu, Jia-Pan; Nie, Jing; Li, Shen; Ma, Jun-An","Organocatalytic asymmetric synthesis of β,β-diaryl ketones via one-pot tandem dehydration/1,6-addition/decarboxylation transformation of β-keto acids and 4-hydroxybenzyl alcohols.","Chemical communications (Cambridge, England)","2020","56","61","8687","8690","10.1039/d0cc02213f","","","1.54178","CuKα","","0.0417","0.0389","","","0.0918","0.0942","","","","","","1.114","","","","has coordinates","254920","2020-10-21","18:00:00",""
"7126767","5.339","0.004","15.845","0.01","23.929","0.014","90","","90","","90","","2024","2","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl O2 -","- C21 H17 Cl O2 -","- C84 H68 Cl4 O8 -","4","1","","Niu, Jia-Pan; Nie, Jing; Li, Shen; Ma, Jun-An","Organocatalytic asymmetric synthesis of β,β-diaryl ketones via one-pot tandem dehydration/1,6-addition/decarboxylation transformation of β-keto acids and 4-hydroxybenzyl alcohols.","Chemical communications (Cambridge, England)","2020","56","61","8687","8690","10.1039/d0cc02213f","","","0.71073","MoKα","","0.1358","0.0596","","","0.1183","0.1483","","","","","","0.942","","","","has coordinates","254920","2020-10-21","18:00:00",""
"7126768","5.6683","0.0008","12.265","0.0019","32.881","0.005","90","","90","","90","","2285.9","0.6","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Cl O4 -","- C22 H17 Cl O4 -","- C88 H68 Cl4 O16 -","4","1","","Niu, Jia-Pan; Nie, Jing; Li, Shen; Ma, Jun-An","Organocatalytic asymmetric synthesis of β,β-diaryl ketones via one-pot tandem dehydration/1,6-addition/decarboxylation transformation of β-keto acids and 4-hydroxybenzyl alcohols.","Chemical communications (Cambridge, England)","2020","56","61","8687","8690","10.1039/d0cc02213f","","","0.71073","MoKα","","0.1022","0.056","","","0.1153","0.131","","","","","","0.962","","","","has coordinates","254920","2020-10-21","18:00:00",""
"7126798","3.8712","0.0016","6.84","0.003","23.77","0.009","90","","90","","90","","629.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-methyl-1H-imidazole-4,5-dicarbaldehyde","","- C6 H6 N2 O2 -","- C6 H6 N2 O2 -","- C24 H24 N8 O8 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","0.71073","MoKα","","0.0479","0.0416","","","0.1037","0.1071","","","","","","1.114","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126799","6.0018","0.0005","8.6564","0.0007","14.5956","0.0013","90","","90","","90","","758.3","0.11","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 N2 -","- C9 H10 N2 -","- C36 H40 N8 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","0.71073","MoKα","","0.0395","0.0355","","","0.0951","0.0981","","","","","","1.064","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126801","5.8033","0.0008","10.5327","0.0015","16.799","0.003","90","","90","","90","","1026.8","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 N2 Se -","- C10 H12 N2 Se -","- C40 H48 N8 Se4 -","4","1","","Appel, Sebastian; Brüggemann, Peter; Ganter, Christian","A tropylium annulated N-heterocyclic carbene.","Chemical communications (Cambridge, England)","2020","56","63","9020","9023","10.1039/d0cc04482b","","","0.71073","MoKα","","0.0571","0.0407","","","0.1036","0.1114","","","","","","1.063","","","","has coordinates","255952","2020-10-21","18:00:00",""
"7126853","7.1213","0.0002","9.6599","0.0003","24.5371","0.0008","90","","90","","90","","1687.93","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 F6 N2 O S -","- C17 H12 F6 N2 O S -","- C68 H48 F24 N8 O4 S4 -","4","1","","Kosobokov, Mikhail D.; Zubkov, Mikhail O.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Dilman, Alexander D.","Fluoroalkyl sulfides as photoredox-active coupling reagents for alkene difunctionalization.","Chemical communications (Cambridge, England)","2020","56","66","9453","9456","10.1039/d0cc04617e","","","0.71073","MoKα","","0.0433","0.0338","","","0.0733","0.0784","","","","","","1.059","","","","has coordinates","255996","2020-10-21","18:00:00",""
"7126863","7.2666","0.0005","14.444","0.0009","19.5127","0.0013","90","","90","","90","","2048","0.2","100","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 Cl N2 O6 -","- C19 H29 Cl N2 O6 -","- C76 H116 Cl4 N8 O24 -","4","1","","Zhang, Shilong; Liu, Yungen; Xing, Fangrong; Che, Chi-Ming","Direct preparation of unprotected aminimides (R<sub>3</sub>N<sup>+</sup>-NH<sup>-</sup>) from natural aliphatic tertiary alkaloids (R<sub>3</sub>N) by [Mn(TDCPP)Cl]-catalysed N-amination reaction.","Chemical communications (Cambridge, England)","2020","56","64","9102","9105","10.1039/d0cc02934c","","x-ray","1.54178","CuKα","","0.0215","0.0214","","","0.0566","0.0567","","","","","","1.046","","","","has coordinates","255973","2020-10-21","18:00:00",""
"7126896","11.6345","0.0002","12.0011","0.0003","23.8695","0.0005","90","","90","","90","","3332.82","0.12","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","griseofulvin","","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C136 H136 Cl8 O48 -","8","2","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0289","0.0281","","","0.072","0.0726","","","","","","1.044","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126906","8.3221","0.0001","13.3053","0.0002","22.7527","0.0003","90","","90","","90","","2519.36","0.06","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Repaglinide","","","- C27 H36 N2 O4 -","- C27 H36 N2 O4 -","- C108 H144 N8 O16 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.0404","0.037","","","0.0921","0.0938","","","","","","1.049","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126908","10.1427","0.0001","10.6044","0.0001","14.5141","0.0001","90","","90","","90","","1561.1","0.02","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Vildagliptin","","","- C17 H26 N3 O2 -","- C17 H25 N3 O2 -","- C68 H100 N12 O8 -","4","1","","Ou, Xiao; Li, Xizhen; Rong, Haowei; Yu, Lian; Lu, Ming","A general method for cultivating single crystals from melt microdroplets.","Chemical communications (Cambridge, England)","2020","56","69","9950","9953","10.1039/d0cc03157g","","x-ray","1.54184","CuKα","","0.041","0.0384","","","0.0994","0.1027","","","","","","1.086","","","","has coordinates","255964","2020-10-21","18:00:00",""
"7126918","11.8791","0.0003","12.8935","0.0003","14.4464","0.0003","90","","90","","90","","2212.66","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl N4 O4 S -","- C22 H21 Cl N4 O4 S -","- C88 H84 Cl4 N16 O16 S4 -","4","1","","Craig, Donald; Spreadbury, Samuel R. J.; White, Andrew J. P.","Synthesis and hetero-Diels-Alder reactions of enantiomerically pure dihydro-1<i>H</i>-azepines.","Chemical communications (Cambridge, England)","2020","56","68","9803","9806","10.1039/d0cc04413j","","","1.54184","CuKα","","0.0399","0.0337","","","0.0761","0.0826","","","","","","1.072","","","","has coordinates","256013","2020-10-21","18:00:00",""
"7126952","11.548","0.0004","22.1219","0.0007","22.729","0.0008","90","","90","","90","","5806.4","0.3","183","2","183.29","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H82 B2 F8 N4 Ni O10 -","- C50 H82 B2 F8 N4 Ni O10 -","- C200 H328 B8 F32 N16 Ni4 O40 -","4","1","","Yang, Wei; Lin, Xiaobin; Zhang, Yongyan; Cao, Weidi; Liu, Xiaohua; Feng, Xiaoming","Nickel(II)-catalyzed asymmetric thio-Claisen rearrangement of α-diazo pyrazoleamides with thioindoles.","Chemical communications (Cambridge, England)","2020","56","69","10002","10005","10.1039/d0cc04590j","","","1.54178","CuKα","","0.06","0.0549","","","0.1541","0.1605","","","","","","1.05","","","","has coordinates,has disorder","255957","2020-10-21","18:00:00",""
"7126955","6.8735","0.0001","8.7567","0.0001","31.8081","0.0004","90","","90","","90","","1914.5","0.04","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Hu, Jiadong; Gao, Yu-Qi; Xu, Dongyang; Chen, Le; Wen, Wen; Hou, Yi; Chen, Lu; Xie, Weiqing","Highly enantioselective addition of aliphatic aldehydes to 2-hydroxychalcone enabled by cooperative organocatalysts.","Chemical communications (Cambridge, England)","2020","56","69","10018","10021","10.1039/d0cc04424e","","","1.54178","CuKα","","0.0401","0.0363","","","0.0935","0.0965","","","","","","1.023","","","","has coordinates","255961","2020-10-21","18:00:00",""
"7126963","16.4452","0.0003","18.9661","0.0003","19.6218","0.0003","90","","90","","90","","6120.07","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H57 N5 O21 Zn4 -","- C54 H57 N5 O21 Zn4 -","- C216 H228 N20 O84 Zn16 -","4","1","","Dodson, Ryan A.; Kalenak, Andre P.; Du Bois, Derek R.; Gill-Ljunghammer, Sasha L; Matzger, Adam J.","N,N-Diethyl-3-methylbenzamide (DEET) acts as a metal-organic framework synthesis solvent with phase-directing capabilities.","Chemical communications (Cambridge, England)","2020","56","69","9966","9969","10.1039/d0cc02741c","","","1.54184","CuKα","","0.0438","0.0408","","","0.1085","0.1109","","","","","","1.047","","","","has coordinates,has disorder","255962","2020-10-21","18:00:00",""
"7126970","9.1674","0.0007","10.6202","0.0009","22.2091","0.0016","90","","90","","90","","2162.3","0.3","294.41","0.1","294.41","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H34 B2 Cl2 N4 -","- C17 H34 B2 Cl2 N4 -","- C68 H136 B8 Cl8 N16 -","4","1","","Fırıncı, Erkan; Fırıncı, Rukiye; Sevinçek, Resul; Aygün, Muhittin; Şahin, Yüksel","Neutral cyclic sp<sup>2</sup>-sp<sup>3</sup> and sp<sup>3</sup>-sp<sup>3</sup> diboranes from <i>N</i>,<i>N</i>'-dicyclohexylcarbodiimide insertion into 1,2-dichlorodiboranes(4).","Chemical communications (Cambridge, England)","2020","56","68","9807","9810","10.1039/d0cc03454a","","x-ray","0.71073","MoKα","","0.0618","0.0431","","","0.0806","0.0924","","","","","","1.016","","","","has coordinates","256010","2020-10-21","18:00:00",""
"7126993","8.5125","0.0001","16.338","0.0001","17.8809","0.0001","90","","90","","90","","2486.83","0.04","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O6 -","- C28 H30 N2 O6 -","- C112 H120 N8 O24 -","4","1","","Cai, Liu; Liu, Xiangshuai; Wang, Jie; Chen, Li; Li, Xin; Cheng, Jin-Pei","Enantioselective and regioselective aza-Friedel-Crafts reaction of electron-rich phenols with isatin-derived ketimines.","Chemical communications (Cambridge, England)","2020","56","71","10361","10364","10.1039/d0cc04966b","","x-ray","1.54184","CuKα","","0.0277","0.0271","","","0.0746","0.0751","","","","","","1.058","","","","has coordinates","255976","2020-10-21","18:00:00",""
"7127000","6.8868","0.0008","14.8106","0.0017","15.0914","0.0017","90","","90","","90","","1539.3","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N4 S2 -","- C14 H18 N4 S2 -","- C56 H72 N16 S8 -","4","1","","Bhunia, Supriya; Dolai, Anirban; Samanta, Subhas","Robust bi-directional photoswitching of thiomethyl substituted arylazopyrazoles under visible light.","Chemical communications (Cambridge, England)","2020","56","70","10247","10250","10.1039/d0cc04098c","","","0.71073","MoKα","","0.0371","0.0339","","","0.109","0.1148","","","","","","1.001","","","","has coordinates","255945","2020-10-21","18:00:00",""
"7127017","10.4684","0.0019","12.28","0.002","45.879","0.008","90","","90","","90","","5897.8","1.8","262","2","262","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H56 Cl2 N6 O10 -","- C64 H56 Cl2 N6 O12 -","- C256 H224 Cl8 N24 O48 -","4","1","","Mei, Ming-Shun; Wang, Yu-Hui; Hu, Qing; Li, Qing-Hua; Shi, Da-Yu; Gao, Dingding; Ge, Guangbo; Lin, Guo-Qiang; Tian, Ping","Enantioselective [3+2] annulation of isatin-derived MBH-carbonates and 3-nitroindoles enabled by a bifunctional DMAP-thiourea.","Chemical communications (Cambridge, England)","2020","56","73","10718","10721","10.1039/d0cc04462h","","","1.54178","cukα","","0.0459","0.0427","","","0.1105","0.1143","","","","","","1.023","","","","has coordinates","257236","2020-10-21","18:00:00",""
"7127018","10.4627","0.0013","10.6763","0.0014","29.015","0.004","90","","90","","90","","3241.1","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H29 Br N4 O4 S -","- C36 H29 Br N4 O4 S -","- C144 H116 Br4 N16 O16 S4 -","4","1","","Wei, Shiqiang; Bao, Xiaoze; Wang, Wenyao; Nawaz, Shah; Dai, Qimin; Qu, Jingping; Wang, Baomin","Enantioselective construction of dispirotriheterocycles featuring a 4-aminopyrazolone motif through a cascade Michael/cyclization process.","Chemical communications (Cambridge, England)","2020","56","73","10690","10693","10.1039/d0cc04215c","","","0.71073","MoKα","","0.0425","0.0328","","","0.0689","0.072","","","","","","0.829","","","","has coordinates","257234","2020-10-21","18:00:00",""
"7127079","5.5051","0.0004","5.7913","0.0004","10.9326","0.0007","90","","90","","90","","348.55","0.04","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd F I O3 -","- Cd F I O3 -","- Cd4 F4 I4 O12 -","4","1","","Cao, Liling; Luo, Min; Lin, Chensheng; Zhou, Yuqiao; Zhao, Dan; Yan, Tao; Ye, Ning","From centrosymmetric to noncentrosymmetric: intriguing structure evolution in d<sup>10</sup>-transition metal iodate fluorides.","Chemical communications (Cambridge, England)","2020","56","73","10734","10737","10.1039/d0cc02532a","","","0.71073","MoKα","","0.0274","0.0272","","","0.0633","0.0634","","","","","","1.175","","","","has coordinates","257233","2020-10-21","18:00:00",""
"7127084","7.4818","0.0001","10.0714","0.0002","23.347","0.0003","90","","90","","90","","1759.25","0.05","292.7","0.2","292.7","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","lwp","","- C18 H16 N2 O7 -","- C18 H16 N2 O7 -","- C72 H64 N8 O28 -","4","1","","Wang, Hai-Xia; Li, Wen-Peng; Zhang, Mi-Mi; Xie, Ming-Sheng; Qu, Gui-Rong; Guo, Hai-Ming","Synthesis of chiral pyrimidine-substituted diester D-A cyclopropanes <i>via</i> asymmetric cyclopropanation of phenyliodonium ylides.","Chemical communications (Cambridge, England)","2020","56","78","11649","11652","10.1039/d0cc04536e","","x-ray","1.54184","CuKα","","0.0416","0.0398","","","0.1032","0.1052","","","","","","1.037","","","","has coordinates","257227","2020-10-21","18:00:00",""
"7127117","8.5318","0.0001","9.341","0.0001","18.0021","0.0002","90","","90","","90","","1434.69","0.03","292","2","292","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Li, Yan; Cheng, Xiu-Fen; Fei, Fan; Wu, Tian-Rui; Bian, Kang-Jie; Zhou, Xin; Wang, Xi-Sheng","Palladium(II)-catalyzed asymmetric C-H carbonylation to diverse isoquinoline derivatives bearing all-carbon quaternary stereocenters.","Chemical communications (Cambridge, England)","2020","56","78","11605","11608","10.1039/d0cc05219a","","","1.54184","CuKα","","0.0366","0.0356","","","0.0916","0.0929","","","","","","1.076","","","","has coordinates","257226","2020-10-21","18:00:00",""
"7127119","7.87176","0.00011","12.32287","0.00017","16.6389","0.0003","90","","90","","90","","1614.02","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Li, Yan; Cheng, Xiu-Fen; Fei, Fan; Wu, Tian-Rui; Bian, Kang-Jie; Zhou, Xin; Wang, Xi-Sheng","Palladium(II)-catalyzed asymmetric C-H carbonylation to diverse isoquinoline derivatives bearing all-carbon quaternary stereocenters.","Chemical communications (Cambridge, England)","2020","56","78","11605","11608","10.1039/d0cc05219a","","","1.54184","CuKα","","0.0464","0.0436","","","0.1289","0.1331","","","","","","1.066","","","","has coordinates","257226","2020-10-21","18:00:00",""
"7127135","16.1373","0.0004","17.5042","0.0004","21.114","0.0004","90","","90","","90","","5964.1","0.2","150.15","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H76 I4 O9 Sm2 -","- C54 H76 I4 O9 Sm2 -","- C216 H304 I16 O36 Sm8 -","4","1","","Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory","Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI<sub>2</sub>.","Chemical communications (Cambridge, England)","2020","56","79","11875","11878","10.1039/d0cc05164k","","","0.71069","MoKα","","0.0573","0.0538","","","0.1331","0.1374","","","","","","1.048","","","","has coordinates,has disorder","260643","2021-01-07","04:41:27",""
"7127142","8.1811","0.0005","17.8856","0.0012","21.2028","0.0014","90","","90","","90","","3102.5","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br F3 O3 -","- C14 H14 Br F3 O3 -","- C112 H112 Br8 F24 O24 -","8","2","","Murata, Ryuichi; Matsumoto, Akira; Asano, Keisuke; Matsubara, Seijiro","Desymmetrization of gem-diols via water-assisted organocatalytic enantio- and diastereoselective cycloetherification.","Chemical communications (Cambridge, England)","2020","56","82","12335","12338","10.1039/d0cc05509c","","","0.71075","MoKα","","","0.0528","","","","0.1186","","","","","","1.018","","","","has coordinates","260723","2021-01-07","05:01:23",""
"7127143","6.382","0.005","14.0024","0.001","15.777","0.01","90","","90","","90","","1409.9","1.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br F3 O2 -","- C14 H12 Br F3 O2 -","- C56 H48 Br4 F12 O8 -","4","1","","Murata, Ryuichi; Matsumoto, Akira; Asano, Keisuke; Matsubara, Seijiro","Desymmetrization of gem-diols via water-assisted organocatalytic enantio- and diastereoselective cycloetherification.","Chemical communications (Cambridge, England)","2020","56","82","12335","12338","10.1039/d0cc05509c","","","0.71075","MoKα","","","0.039","","","","0.0842","","","","","","0.953","","","","has coordinates","260723","2021-01-07","05:01:24",""
"7127151","6.48035","0.00014","17.3087","0.0003","19.7454","0.0004","90","","90","","90","","2214.77","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 B O4 -","- C24 H29 B O4 -","- C96 H116 B4 O16 -","4","1","","Sun, Xiao; Gu, Peiming; Qin, Jiao; Su, Yan","Rhodium-catalysed diastereo- and enantio-selective cyclopropanation of α-boryl styrenes.","Chemical communications (Cambridge, England)","2020","56","82","12379","12382","10.1039/d0cc02549f","","","1.54184","CuKα","","0.0367","0.0344","","","0.0874","0.0893","","","","","","1.048","","","","has coordinates","260719","2021-01-07","05:00:51",""
"7127155","10.9779","0.0003","13.7265","0.0003","18.8688","0.0004","90","","90","","90","","2843.3","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 B F9 O Si2 -","- C25 H26 B F9 O Si2 -","- C100 H104 B4 F36 O4 Si8 -","4","1","","Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Using the FpXylBH<sub>2</sub>•SMe<sub>2</sub> reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.","Chemical communications (Cambridge, England)","2020","56","81","12178","12181","10.1039/d0cc05230b","","","1.54178","CuKα","","0.031","0.0291","","","0.0742","0.075","","","","","","1.064","","","","has coordinates,has disorder","260619","2021-01-07","04:35:39",""
"7127180","6.6359","0.0009","7.5137","0.001","34.018","0.005","90","","90","","90","","1696.1","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B P -","- C17 H24 B P -","- C68 H96 B4 P4 -","4","1","","Wang, Cuiying; Yue, Chang-Duo; Yuan, Jia; Zheng, Jia-Lian; Zhang, Ying; Yu, Hong; Chen, Jian; Meng, Sixuan; Yu, Yang; Yu, Guang-Ao; Che, Chi-Ming","Synthesis of P-chiral phosphine compounds by palladium-catalyzed C-P coupling reactions.","Chemical communications (Cambridge, England)","2020","56","79","11775","11778","10.1039/d0cc05340f","","","0.71073","MoKα","","0.0603","0.0586","","","0.1426","0.143","","","","","","1.248","","","","has coordinates","260641","2021-01-07","04:40:37",""
"7127181","11.2902","0.0016","12.3392","0.0018","13.6341","0.0019","90","","90","","90","","1899.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 B P -","- C20 H28 B P -","- C80 H112 B4 P4 -","4","1","","Wang, Cuiying; Yue, Chang-Duo; Yuan, Jia; Zheng, Jia-Lian; Zhang, Ying; Yu, Hong; Chen, Jian; Meng, Sixuan; Yu, Yang; Yu, Guang-Ao; Che, Chi-Ming","Synthesis of P-chiral phosphine compounds by palladium-catalyzed C-P coupling reactions.","Chemical communications (Cambridge, England)","2020","56","79","11775","11778","10.1039/d0cc05340f","","","0.71073","MoKα","","0.041","0.0358","","","0.0948","0.1017","","","","","","1.078","","","","has coordinates","260641","2021-01-07","04:40:37",""
"7127187","8.71695","0.00013","13.36161","0.00018","17.6913","0.0002","90","","90","","90","","2060.55","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N O5 S2 -","- C22 H21 N O5 S2 -","- C88 H84 N4 O20 S8 -","4","1","","Yang, Lei; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Yuan, Wei-Cheng","Organocatalytic enantioselective tandem sulfa-Michael/aldol reaction to access dihydrothiopyran-fused benzosulfolane skeletons bearing three contiguous stereocenters.","Chemical communications (Cambridge, England)","2020","56","82","12363","12366","10.1039/d0cc04840b","","x-ray","1.54184","CuKα","","0.0377","0.0368","","","0.0982","0.0996","","","","","","1.09","","","","has coordinates","260720","2021-01-07","05:00:57",""
"7127188","7.8266","0.0004","13.136","0.0006","13.1894","0.0005","90","","90","","90","","1356.01","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 O3 S2 -","- C15 H12 O3 S2 -","- C60 H48 O12 S8 -","4","1","","Yang, Lei; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Yuan, Wei-Cheng","Organocatalytic enantioselective tandem sulfa-Michael/aldol reaction to access dihydrothiopyran-fused benzosulfolane skeletons bearing three contiguous stereocenters.","Chemical communications (Cambridge, England)","2020","56","82","12363","12366","10.1039/d0cc04840b","","x-ray","1.54184","CuKα","","0.0451","0.0399","","","0.0977","0.103","","","","","","1.063","","","","has coordinates","260720","2021-01-07","05:00:57",""
"7127206","9.6932","0.0005","10.7179","0.0006","21.842","0.0011","90","","90","","90","","2269.2","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Br N O -","- C27 H26 Br N O -","- C108 H104 Br4 N4 O4 -","4","1","","Zhang, Yu; Li, Yuan; Zhou, Wei; Zhang, Mengru; Zhang, Qian; Jia, Ran; Zhao, Jinbo","Assembly of polysubstituted chiral cyclopropylamines via highly enantioselective Cu-catalyzed three-component cyclopropene alkenylamination.","Chemical communications (Cambridge, England)","2020","56","81","12250","12253","10.1039/d0cc01060j","","","1.54178","CuKα","","0.0322","0.0282","","","0.0623","0.064","","","","","","1.072","","","","has coordinates","260620","2021-01-07","04:35:46",""
"7127223","6.921","0.006","10.91","0.03","24.068","0.019","90","","90","","90","","1817","5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O7 -","- C17 H21 N O7 -","- C68 H84 N4 O28 -","4","1","","Zhao, Can; Khan, Ijaz; Zhang, Yong Jian","Enantioselective total synthesis of furofuran lignans <i>via</i> Pd-catalyzed asymmetric allylic cycloadditon of vinylethylene carbonates with 2-nitroacrylates.","Chemical communications (Cambridge, England)","2020","56","82","12431","12434","10.1039/d0cc05640e","","","1.54178","CuKα","","0.0452","0.0378","","","0.1043","0.1131","","","","","","1.02","","","","has coordinates","260721","2021-01-07","05:01:04",""
"7127224","6.6885","0.0003","7.1093","0.0003","24.188","0.0009","90","","90","","90","","1150.15","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O5 -","- C13 H12 O5 -","- C52 H48 O20 -","4","1","","Zhao, Can; Khan, Ijaz; Zhang, Yong Jian","Enantioselective total synthesis of furofuran lignans <i>via</i> Pd-catalyzed asymmetric allylic cycloadditon of vinylethylene carbonates with 2-nitroacrylates.","Chemical communications (Cambridge, England)","2020","56","82","12431","12434","10.1039/d0cc05640e","","","1.54178","CuKα","","0.0687","0.0329","","","0.0805","0.0898","","","","","","1.038","","","","has coordinates","260721","2021-01-07","05:01:04",""
"7127229","9.0888","0.0009","10.564","0.0011","21.463","0.0019","90","","90","","90","","2060.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-4-benzyl-7-benzylidene-6-(4-fluorophenyl)-1,4-diazabicyclo[4.2.0]oct-2-ene-5,8-dione","","- C26 H19 F N2 O2 -","- C26 H19 F N2 O2 -","- C104 H76 F4 N8 O8 -","4","1","","Singh, Sangh Priya; Tripathi, Shashank; Yadav, Anamika; Kant, Ruchir; Srivastava, Hemant Kumar; Srivastava, Ajay Kumar","Synthesis of β- and γ-lactam fused dihydropyrazinones from Ugi adducts <i>via</i> a sequential ring construction strategy.","Chemical communications (Cambridge, England)","2020","56","84","12789","12792","10.1039/d0cc04415f","","","0.71073","MoKα","","0.0459","0.041","","","0.1305","0.1365","","","","","","1.149","","","","has coordinates","260694","2021-01-07","04:55:06",""
"7127240","7.7448","0.0013","15.656","0.003","18.122","0.004","90","","90","","90","","2197.3","0.7","235","2","235","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br Cl0 N2 O3 -","- C23 H17 Br N2 O3 -","- C92 H68 Br4 N8 O12 -","4","1","","Zhang, Dong; Dong, Shunxi; He, Qianwen; Luo, Yao; Liu, Yun; Liu, Xiaohua; Feng, Xiaoming","Enantioselective dicarbofunctionalization of (<i>E</i>)-alkenyloxindoles with pyridinium salts by chiral Lewis acid/photo relay catalysis.","Chemical communications (Cambridge, England)","2020","56","84","12757","12760","10.1039/d0cc05621a","","","0.71073","MoKα","","0.0764","0.0465","","","0.1395","0.1792","","","","","","0.738","","","","has coordinates","260688","2021-01-07","04:53:35",""
"7127293","6.0733","0.0002","11.523","0.0003","17.1932","0.0004","90","","90","","90","","1203.23","0.06","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Tao, Mengna; Li, Wenbo; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization of norbornene and norbornadiene.","Chemical communications (Cambridge, England)","2020","56","86","13125","13128","10.1039/d0cc04996d","","x-ray","1.54184","CuKα","","0.0346","0.0335","","","0.0855","0.0863","","","","","","1.059","","","","has coordinates","260598","2021-01-07","04:30:18",""
"7127336","9.19139","0.00011","11.21187","0.00014","15.13619","0.00018","90","","90","","90","","1559.82","0.03","150","0.1","150","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(2S,2aS,2a1S,5aR)-5a-hydroxy-2-(methoxycarbonyl)-2a,2a1,3,4,5,5a,6,7- octahydro-2H-benzo[6,7]cyclohepta[1,2,3-cd]isoindole 1-oxide","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Mato, Raquel; Reyes, Efraim; Carrillo, Luisa; Uria, Uxue; Prieto, Liher; Manzano, Ruben; Vicario, Jose L.","Catalytic enantioselective domino Michael/transannular aldol reaction under bifunctional catalysis.","Chemical communications (Cambridge, England)","2020","56","86","13149","13152","10.1039/d0cc05981a","","x-ray","1.54184","CuKα","","0.0321","0.0293","","","0.0731","0.0751","","","","","","1.055","","","","has coordinates","260599","2021-01-07","04:30:28",""
"7127338","7.1433","0.0002","16.4271","0.0005","18.919","0.0006","90","","90","","90","","2220.03","0.12","143","2","143","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N O2 -","- C29 H23 N O2 -","- C116 H92 N4 O8 -","4","1","","Chang, Fenzhen; Shen, Bin; Wang, Sijing; Lin, Lili; Feng, Xiaoming","Lewis acid catalysed asymmetric cascade reaction of cyclopropyl ketones: concise synthesis of pyrrolobenzothiazoles.","Chemical communications (Cambridge, England)","2020","56","87","13429","13432","10.1039/d0cc05667g","","","1.54178","CuKα","","0.0455","0.0419","","","0.0994","0.1013","","","","","","1.079","","","","has coordinates","260714","2021-01-07","04:59:58",""
"7127340","10.0966","0.0005","16.0127","0.0008","27.6462","0.0014","90","","90","","90","","4469.7","0.4","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H46 N2 O2 S2 -","- C58 H46 N2 O2 S2 -","- C232 H184 N8 O8 S8 -","4","1","","Chang, Fenzhen; Shen, Bin; Wang, Sijing; Lin, Lili; Feng, Xiaoming","Lewis acid catalysed asymmetric cascade reaction of cyclopropyl ketones: concise synthesis of pyrrolobenzothiazoles.","Chemical communications (Cambridge, England)","2020","56","87","13429","13432","10.1039/d0cc05667g","","","1.54178","CuKα","","0.0336","0.0305","","","0.0672","0.0691","","","","","","1.055","","","","has coordinates","260714","2021-01-07","04:59:58",""
"7127360","7.9303","0.00011","15.1768","0.0002","23.7226","0.0003","90","","90","","90","","2855.17","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CaCl2 Levetiracetam Isonicotinamide","CaCl2 (S)-2-(2-oxopyrrolidin-1-yl)butanamide pyridine-4-carboxamide","","- C22 H36 Ca Cl2 N6 O6 -","- C22 H36 Ca Cl2 N6 O6 -","- C88 H144 Ca4 Cl8 N24 O24 -","4","1","","Song, Lixing; Robeyns, Koen; Tumanov, Nikolay; Wouters, Johan; Leyssens, Tom","Combining API in a dual-drug ternary cocrystal approach.","Chemical communications (Cambridge, England)","2020","56","86","13229","13232","10.1039/d0cc05788f","","","0.71073","MoKα","","0.0317","0.0293","","","0.0709","0.0725","","","","","","1.042","","","","has coordinates","260600","2021-01-07","04:30:37",""
"7127394","9.0833","0.0006","13.9679","0.0008","20.8666","0.0011","90","","90","","90","","2647.4","0.3","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Al Cl2 F6 N2 O3 -","- C26 H27 Al Cl2 F6 N2 O3 -","- C104 H108 Al4 Cl8 F24 N8 O12 -","4","1","","Hador, Rami; Lipstman, Sophia; Rescigno, Raffaella; Venditto, Vincenzo; Kol, Moshe","Aluminium complexes of salanol ligands: coordination chemistry and stereoselective lactide polymerization.","Chemical communications (Cambridge, England)","2020","56","88","13528","13531","10.1039/d0cc05957a","","","0.71073","MoKα","","0.0675","0.0436","","","0.0769","0.0858","","","","","","0.984","","","","has coordinates","260634","2021-01-07","04:39:29",""
"7127458","8.521","0.003","15.07","0.004","18.244","0.005","90","","90","","90","","2342.7","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 O Yb -","- C24 H40 O Yb -","- C96 H160 O4 Yb4 -","4","1","","Katzenmayer, Markus M.; Wolf, Benjamin M.; Mortis, Alexandros; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Polymeric dimethylytterbium and the terminal methyl complex (Tp<sup>tBu,Me</sup>)Yb(CH<sub>3</sub>)(thf).","Chemical communications (Cambridge, England)","2021","57","2","243","246","10.1039/d0cc06981g","","","0.71073","MoKα","","0.0437","0.0294","","","0.0553","0.0605","","","","","","1.034","","","","has coordinates","261544","2021-02-04","22:36:09",""
"7127470","8.7927","0.0004","13.0246","0.0005","19.6787","0.0009","90","","90","","90","","2253.63","0.17","298.15","","298.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 B F2 N2 O2 S -","- C24 H21 B F2 N2 O2 S -","- C96 H84 B4 F8 N8 O8 S4 -","4","1","","Lv, Fan; Guo, Xing; Wu, Hao; Li, Heng; Tang, Bing; Yu, Changjiang; Hao, Erhong; Jiao, Lijuan","Direct sulfonylation of BODIPY dyes with sodium sulfinates through oxidative radical hydrogen substitution at the α-position.","Chemical communications (Cambridge, England)","2020","56","99","15577","15580","10.1039/d0cc07259a","","","0.71073","MoKα","","0.0366","0.034","","","0.0911","0.0949","","","","","","1.062","","","","has coordinates","260628","2021-01-07","04:38:02",""
"7127518","5.4867","0.0005","12.1391","0.0011","28.047","0.003","90","","90","","90","","1868","0.3","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cl2 O2 -","- C23 H18 Cl2 O2 -","- C92 H72 Cl8 O8 -","4","1","","Burde, Ameya S.; Karyakarte, Shuklendu D.; Sylvester, Eric D.; Chemler, Sherry R.","Copper-catalyzed enantioselective synthesis of bridged bicyclic ketals from 1,1-disubstituted-4-methylene-1,6-hexanediols and related alkenols.","Chemical communications (Cambridge, England)","2021","57","1","105","108","10.1039/d0cc06404a","","x-ray","0.71073","MoKα","","0.0371","0.0304","","","0.0685","0.0704","","","","","","1.046","","","","has coordinates","261522","2021-02-04","22:25:59",""
"7127534","11.0929","0.000014","19.4758","0.00002","35.9239","0.00003","90","","90","","90","","7761.11","0.014","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C80 H138 B2 Li2 O4 P2 -","- C80 H138 B2 Li2 O4 P2 -","- C320 H552 B8 Li8 O16 P8 -","4","1","","Ayyappan, Ramaraj; Coppel, Yannick; Vendier, Laure; Ghosh, Sundargopal; Sabo-Etienne, Sylviane; Bontemps, Sébastien","Synthesis and reactivity of phosphine borohydride compounds.","Chemical communications (Cambridge, England)","2021","57","3","375","378","10.1039/d0cc07072f","","","0.71073","MoKα","","0.0475","0.0475","","0.0439","0.0439","0.0434","","","","","","0.8344","","","","has coordinates","261574","2021-02-04","22:48:52",""
"7127548","9.865","0.0001","15.3404","0.0001","19.3137","0.0001","90","","90","","90","","2922.8","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 O2 -","- C40 H30 O2 -","- C160 H120 O8 -","4","1","","Abdollahi, Maryam F.; You, Jian; Wang, Tao; Zhao, Yuming","Molecular tuning of the crystallization-induced emission enhancement of diphenyl-dibenzofulvene luminogens.","Chemical communications (Cambridge, England)","2021","57","4","484","487","10.1039/d0cc07013k","","x-ray","1.54184","CuKα","","0.034","0.032","","","0.0829","0.0842","","","","","","1.048","","","","has coordinates","261540","2021-02-04","22:34:51",""
"7127554","4.2604","0.0002","7.858","0.0004","30.3127","0.0014","90","","90","","90","","1014.82","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Br N O -","- C11 H11 Br N O -","- C44 H44 Br4 N4 O4 -","4","1","","Ye, Xiang-Yu; Liang, Zhi-Qin; Jin, Cong; Lang, Qi-Wei; Chen, Gen-Qiang; Zhang, Xumu","Design of oxa-spirocyclic PHOX ligands for the asymmetric synthesis of lorcaserin via iridium-catalyzed asymmetric hydrogenation.","Chemical communications (Cambridge, England)","2021","57","2","195","198","10.1039/d0cc06311h","","x-ray","0.71073","MoKα","","0.0326","0.0304","","","0.0706","0.0714","","","","","","1.076","","","","has coordinates","261546","2021-02-04","22:36:54",""
"7127601","5.5032","0.0006","14.7847","0.0017","21.373","0.002","90","","90","","90","","1739","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O Se -","- C22 H17 N O Se -","- C88 H68 N4 O4 Se4 -","4","1","","Liu, Xiang; Wang, Yajun; Song, Dan; Wang, Yuhan; Cao, Hua","Electrochemical regioselective selenylation/oxidation of N-alkylisoquinolinium salts via double C(sp<sup>2</sup>)-H bond functionalization.","Chemical communications (Cambridge, England)","2020","56","97","15325","15328","10.1039/d0cc06778d","","x-ray","0.71073","MoKα","","0.0918","0.0555","","","0.1025","0.119","","","","","","1.011","","","","has coordinates","259911","2020-12-16","01:49:48",""
"7127603","8.7568","0.0003","16.7646","0.0006","17.6194","0.0006","90","","90","","90","","2586.6","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 F7 N2 O4 -","- C25 H25 F7 N2 O4 -","- C100 H100 F28 N8 O16 -","4","1","","Wu, Qiu-Zi; Mao, Yang-Jie; Zhou, Kun; Hao, Hong-Yan; Chen, Lei; Wang, Shuang; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian","Regioselective C(sp<sup>3</sup>)-H fluorination of ketones: from methyl to the monofluoromethyl group.","Chemical communications (Cambridge, England)","2021","57","6","765","768","10.1039/d0cc07093a","","","0.71073","MoKα","","0.0798","0.053","","","0.1205","0.1419","","","","","","1.058","","","","has coordinates,has disorder","261547","2021-02-04","22:37:00",""
"7127662","10.0062","0.0006","12.0297","0.0005","23.0723","0.0011","90","","90","","90","","2777.2","0.2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 F6 N2 O6 S2 -","- C21 H36 F6 N2 O6 S2 -","- C84 H144 F24 N8 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.05","0.0427","","","0.1019","0.1052","","","","","","1.034","","","","has coordinates,has disorder","262470","2021-03-05","01:15:36",""
"7127667","15.5683","0.0014","15.5783","0.0014","10.02","0.002","90","","90","","90","","2430.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 F6 N2 Sb -","- C22 H38 F6 N2 Sb -","- C88 H152 F24 N8 Sb4 -","4","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.0606","0.0396","","","0.098","0.1079","","","","","","0.984","","","","has coordinates,has disorder","262470","2021-03-05","01:15:36",""
"7127670","8.9365","0.0002","16.2526","0.0003","18.4341","0.0003","90","","90","","90","","2677.39","0.09","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 F6 N2 O6 S2 -","- C21 H34 F6 N2 O6 S2 -","- C84 H136 F24 N8 O24 S8 -","4","1","","Nayak, Mithilesh Kumar; Suhr, Simon; Chrysochos, Nicolas; Rawat, Hemant; Schulzke, Carola; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul","Tethered CAAC-CAAC dimers: oxidation to persistent radical cations and bridging-unit dependent reactivity/stability of the dications.","Chemical communications (Cambridge, England)","2021","57","10","1210","1213","10.1039/d0cc07385g","","","0.71073","MoKα","","0.0455","0.0424","","","0.097","0.0984","","","","","","1.124","","","","has coordinates,has disorder","262470","2021-03-05","01:15:36",""
"7127697","13.1586","0.0007","17.0373","0.001","18.2948","0.001","90","","90","","90","","4101.5","0.4","100","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H40 Au B Cl2 N6 -","- C48 H40 Au B Cl2 N6 -","- C192 H160 Au4 B4 Cl8 N24 -","4","1","","Wu, Jiang; Noonikara-Poyil, Anurag; Muñoz-Castro, Alvaro; Dias, H. V. Rasika","Gold(I) ethylene complexes supported by electron-rich scorpionates.","Chemical communications (Cambridge, England)","2021","57","8","978","981","10.1039/d0cc07717h","","","0.71073","MoKα","","0.0262","0.0242","","","0.0537","0.0545","","","","","","1.016","","","","has coordinates","261530","2021-02-04","22:29:50",""
"7127781","8.3888","0.0011","9.2869","0.0012","23.322","0.004","90","","90","","90","","1816.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Br N2 O2 -","- C20 H15 Br N2 O2 -","- C80 H60 Br4 N8 O8 -","4","1","","Wu, Hui-Chun; Wang, Chen; Chen, Ying-Han; Liu, Yan-Kai","Asymmetric organocatalytic vinylogous Michael addition triggered triple-cascade reactions of 2-hydroxycinnamaldehydes and vinylogous nucleophiles: construction of benzofused oxabicyclo[3.3.1]nonane scaffolds.","Chemical communications (Cambridge, England)","2021","57","14","1762","1765","10.1039/d0cc07761e","","","1.54184","CuKα","","0.1658","0.0831","","","0.1456","0.2058","","","","","","1.018","","","","has coordinates","262500","2021-03-05","01:21:55",""
"7127789","6.20266","0.00014","17.5076","0.0003","19.9155","0.0005","90","","90","","90","","2162.7","0.08","293.3","0.1","293.3","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br F O2 P -","- C26 H19 Br F O2 P -","- C104 H76 Br4 F4 O8 P4 -","4","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.039","0.0344","","","0.0843","0.0877","","","","","","1.04","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127790","9.2255","0.0005","12.6121","0.0007","18.2822","0.0012","90","","90","","90","","2127.2","0.2","293.57","0.1","293.57","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 F O2 P -","- C26 H20 F O2 P -","- C104 H80 F4 O8 P4 -","4","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0879","0.081","","","0.2258","0.2369","","","","","","1.069","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127791","6.2073","0.0003","17.5063","0.0006","19.9264","0.0009","90","","90","","90","","2165.34","0.16","293.44","0.1","293.44","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br F O2 P -","- C26 H19 Br F O2 P -","- C104 H76 Br4 F4 O8 P4 -","4","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0432","0.0323","","","0.0686","0.0778","","","","","","0.991","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127792","9.4706","0.0007","12.3535","0.0014","19.12","0.002","90","","90","","90","","2236.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 F O2 P -","- C27 H22 F O2 P -","- C108 H88 F4 O8 P4 -","4","1","","Xie, Shaolei; He, Zhi-Juan; Zhang, Ling-Hui; Huang, Bo-Lun; Chen, Xiao-Wei; Zhan, Zong-Song; Zhang, Fu-Min","The organocatalytic enantiodivergent fluorination of β-ketodiaryl-phosphine oxides for the construction of carbon-fluorine quaternary stereocenters.","Chemical communications (Cambridge, England)","2021","57","16","2069","2072","10.1039/d0cc07770d","","x-ray","1.54184","CuKα","","0.0748","0.0532","","","0.1382","0.1728","","","","","","1.098","","","","has coordinates","262485","2021-03-05","01:19:24",""
"7127812","8.5021","0.0003","18.0429","0.0006","19.2698","0.0007","90","","90","","90","","2956.04","0.18","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 I Mg N2 O -","- C29 H43 I Mg N2 O -","- C116 H172 I4 Mg4 N8 O4 -","4","1","","de Bruin-Dickason, Caspar N; Rosengarten, Christopher A.; Deacon, Glen B.; Jones, Cameron","Enantiopure dimagnesium(i) and magnesium(ii) hydride complexes incorporating chiral amidinate or β-diketiminate ligands.","Chemical communications (Cambridge, England)","2021","57","13","1599","1602","10.1039/d0cc07947b","","","0.71073","MoKα","","0.0589","0.0384","","","0.0521","0.0584","","","","","","1.001","","","","has coordinates","262486","2021-03-05","01:19:40",""
"7127876","8.88","0.003","12.558","0.003","14.122","0.003","90","","90","","90","","1574.8","0.7","200","2","200.01","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 B10 Br N S -","- C8 H16 B10 Br N S -","- C32 H64 B40 Br4 N4 S4 -","4","1","","Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin","Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.","Chemical communications (Cambridge, England)","2021","57","19","2412","2415","10.1039/d0cc08290b","","","1.34138","GaKα","","0.055","0.0417","","","0.103","0.1088","","","","","","1.022","","","","has coordinates","263637","2021-04-05","13:59:08",""
"7127878","8.7616","0.0003","14.8923","0.0007","18.1794","0.0008","90","","90","","90","","2372.05","0.17","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 B10 Cl Ir N S -","- C17 H29 B10 Cl Ir N S -","- C68 H116 B40 Cl4 Ir4 N4 S4 -","4","1","","Guo, Shu-Ting; Cui, Peng-Fei; Yuan, Run-Ze; Jin, Guo-Xin","Transition metal-mediated B(4)-H hydroxylation/halogenation of o-carboranes bearing a 2-pyridylsulfenyl ligand.","Chemical communications (Cambridge, England)","2021","57","19","2412","2415","10.1039/d0cc08290b","","","0.71073","MoKα","","0.029","0.0256","","","0.0495","0.0505","","","","","","1.035","","","","has coordinates","263637","2021-04-05","13:59:08",""
"7127907","16.8489","0.0003","31.0207","0.0005","19.9738","0.0006","90","","90","","90","","10439.6","0.4","149.99","0.11","149.99","0.11","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C84 H149.017 Al2 K2 N4 O16 Si4 Te2 -","- C84 H149 Al2 K2 N4 O16 Si4 Te2 -","- C336 H596 Al8 K8 N16 O64 Si16 Te8 -","4","1","","Evans, Matthew J.; Anker, Mathew D.; McMullin, Claire L.; Rajabi, Nasir A.; Coles, Martyn P.","Double insertion of CO<sub>2</sub> into an Al-Te multiple bond.","Chemical communications (Cambridge, England)","2021","57","21","2673","2676","10.1039/d0cc07448a","","x-ray","0.71073","MoKα","","0.1074","0.0652","","","0.1378","0.1598","","","","","","1.021","","","","has coordinates,has disorder","263661","2021-04-05","14:05:23",""
"7127937","8.4284","0.0006","11.4357","0.0009","17.5925","0.0013","90","","90","","90","","1695.6","0.2","101","","101","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 Br2 N -","- C20 H15 Br2 N -","- C80 H60 Br8 N4 -","4","1","","Cheng, Cang; Zuo, Xiang; Tu, Dongdong; Wan, Bin; Zhang, Yanghui","Palladium-catalyzed diastereoselective cross-coupling of two aryl halides <i>via</i> C-H activation: synthesis of chiral eight-membered nitrogen heterocycles.","Chemical communications (Cambridge, England)","2021","57","23","2939","2942","10.1039/d1cc00398d","","","0.71073","MoKα","","0.0255","0.0225","","","0.048","0.049","","","","","","1.004","","","","has coordinates","263651","2021-04-05","14:02:39",""
"7127949","13.461","0.002","27.545","0.004","42.227","0.006","90","","90","","90","","15657","4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C171 H233 N O8 S -","- C143 H165 N O4 S -","- C572 H660 N4 O16 S4 -","4","1","","Sano, Tsukasa; Masuda, Ryosuke; Sase, Shohei; Goto, Kei","Isolable small-molecule cysteine sulfenic acid.","Chemical communications (Cambridge, England)","2021","57","20","2479","2482","10.1039/d0cc08422k","","","0.71075","MoKα","","0.1403","0.0765","","","0.145","0.1705","","","","","","0.995","","","","has coordinates,has disorder","263650","2021-04-05","14:02:18",""
"7127987","9.1461","0.0003","9.681","0.0003","11.8702","0.0003","90","","90","","90","","1051.03","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 P S -","- C10 H13 P S -","- C40 H52 P4 S4 -","4","1","","Xu, Ronghua; Gao, Zhenhua; Yu, Yiteng; Tang, Yehua; Tian, Duanshuai; Chen, Tian; Chen, Yibing; Xu, Guangqing; Shi, Enxue; Tang, Wenjun","A facile and practical preparation of P-chiral phosphine oxides.","Chemical communications (Cambridge, England)","2021","57","27","3335","3338","10.1039/d1cc00646k","","","0.71073","MoKα","","0.0247","0.0238","","","0.0656","0.0668","","","","","","1.054","","","","has coordinates","263625","2021-04-05","13:54:53",""
"7127989","16.395","0.003","17.287","0.004","17.363","0.004","90","","90","","90","","4921","1.8","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 O9 -","- C28 H26 O9 -","- C224 H208 O72 -","8","2","","Tan, Qingfa; Yu, Han; Luo, Yao; Chang, Fenzhen; Liu, Xiaohua; Zhou, Yuqiao; Feng, Xiaoming","Asymmetric catalytic [4+3] cycloaddition of ortho-quinone methides with oxiranes.","Chemical communications (Cambridge, England)","2021","57","24","3018","3021","10.1039/d1cc00262g","","","1.54178","CuKα","","0.0372","0.0338","","","0.0935","0.0976","","","","","","1.02","","","","has coordinates","263615","2021-04-05","13:52:05",""
"7127993","5.7216","0.0001","15.4964","0.0001","17.3718","0.0001","90","","90","","90","","1540.26","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl (R,E)-5-phenyl-6-(pyridin-2-yl)hex-2-enoate","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Frankowski, Sebastian; Kowalska, Justyna; Albrecht, Anna","Pyridylacetic acids and related systems as alkylheteroarene surrogates in asymmetric decarboxylative Michael addition.","Chemical communications (Cambridge, England)","2021","57","27","3387","3390","10.1039/d0cc08182e","","x-ray","1.54184","CuKα","","0.0219","0.0217","","","0.054","0.0541","","","","","","1.067","","","","has coordinates","263626","2021-04-05","13:55:08",""
"7128032","8.1814","0.0003","11.4924","0.0004","21.1523","0.0008","90","","90","","90","","1988.82","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 I O2 S2 -","- C21 H19 I O2 S2 -","- C84 H76 I4 O8 S8 -","4","1","","Duan, Longhui; Wang, Zhonggui; Zhao, Kun; Gu, Zhenhua","Enantioselective preparation of atropisomeric biaryl trifluoromethylsulfanes via ring-opening of cyclic diaryliodoniums.","Chemical communications (Cambridge, England)","2021","57","32","3881","3884","10.1039/d1cc00171j","","x-ray","0.71073","MoKα","","0.0333","0.0288","","","0.0539","0.0562","","","","","","1.049","","","","has coordinates","264863","2021-05-05","08:02:16",""
"7128033","9.1979","0.0002","13.5767","0.0002","24.3814","0.0004","90","","90","","90","","3044.68","0.09","149.99","0.1","149.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 F3 O4 P S2 -","- C33 H26 F3 O4 P S2 -","- C132 H104 F12 O16 P4 S8 -","4","1","","Duan, Longhui; Wang, Zhonggui; Zhao, Kun; Gu, Zhenhua","Enantioselective preparation of atropisomeric biaryl trifluoromethylsulfanes via ring-opening of cyclic diaryliodoniums.","Chemical communications (Cambridge, England)","2021","57","32","3881","3884","10.1039/d1cc00171j","","x-ray","1.54184","CuKα","","0.0451","0.0427","","","0.1085","0.1112","","","","","","1.024","","","","has coordinates","264863","2021-05-05","08:02:16",""
"7128038","7.7989","0.0001","15.9461","0.0002","30.2933","0.0003","90","","90","","90","","3767.34","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-(2-(9,10-dihydrophenanthren-9-yl)ethylidene)-2-(2,4-dinitrophenyl)hydrazine","","- C22 H18 N4 O4 -","- C22 H18 N4 O4 -","- C176 H144 N32 O32 -","8","2","","Willems, Suzanne; Toupalas, Georgios; Reisenbauer, Julia C.; Morandi, Bill","A site-selective and stereospecific cascade Suzuki-Miyaura annulation of alkyl 1,2-bisboronic esters and 2,2'-dihalo 1,1'-biaryls.","Chemical communications (Cambridge, England)","2021","57","32","3909","3912","10.1039/d1cc00648g","","x-ray","1.54184","CuKα","","0.0352","0.0341","","","0.0834","0.0844","","","","","","1.039","","","","has coordinates","264862","2021-05-05","08:02:04",""
"7128109","8.3579","0.0008","13.8057","0.0013","19.3031","0.0019","90","","90","","90","","2227.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C112 H96 Cl4 N4 O8 -","- C112 H96 Cl4 N4 O8 -","- C112 H96 Cl4 N4 O8 -","1","0.25","","Xiao, Jun-An; Li, Jin-Lian; Cheng, Xiu-Liang; Chen, Kai; Peng, Hai; Chen, Wen-Qiang; Su, Wei; Huang, Yan-Min; Yang, Hua","Enantioselective formal [3+2]-cycloadditions to access spirooxindoles bearing four contiguous stereocenters through synergistic catalysis.","Chemical communications (Cambridge, England)","2021","57","36","4456","4459","10.1039/d0cc07957j","","","0.71076","MoKα","","0.0893","0.0503","","","0.1001","0.1124","","","","","","1.021","","","","has coordinates","265894","2021-06-05","17:31:36",""
"7128111","8.6247","0.0004","14.035","0.0006","19.2606","0.0009","90","","90","","90","","2331.45","0.18","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C0.89 H0.83 N0.03 O0.09 -","- C0.892308 H0.830769 N0.0307692 O0.0923077 -","- C116 H108 N4 O12 -","130","32.5","","Xiao, Jun-An; Li, Jin-Lian; Cheng, Xiu-Liang; Chen, Kai; Peng, Hai; Chen, Wen-Qiang; Su, Wei; Huang, Yan-Min; Yang, Hua","Enantioselective formal [3+2]-cycloadditions to access spirooxindoles bearing four contiguous stereocenters through synergistic catalysis.","Chemical communications (Cambridge, England)","2021","57","36","4456","4459","10.1039/d0cc07957j","","","1.54178","CuKα","","0.0537","0.0461","","","0.1211","0.1285","","","","","","1.025","","","","has coordinates","265894","2021-06-05","17:31:36",""
"7128112","7.6547","0.0001","8.3977","0.0002","21.0738","0.0004","90","","90","","90","","1354.66","0.04","292.62","0.1","292.62","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 F3 N3 O -","- C14 H10 F3 N3 O -","- C56 H40 F12 N12 O4 -","4","1","","Tu, Youshao; Dong, Honglin; Wang, Huamin; Ao, Yuhui; Liu, Yu","Divergent functionalization of α,β-enones: catalyst-free access to β-azido ketones and β-amino α-diazo ketones.","Chemical communications (Cambridge, England)","2021","57","37","4524","4527","10.1039/d1cc00985k","","x-ray","1.54184","CuKα","","0.0314","0.0302","","","0.0831","0.0842","","","","","","1.082","","","","has coordinates","265844","2021-06-05","17:18:13",""
"7128136","14.9392","0.0005","15.2205","0.0004","19.081","0.0005","90","","90","","90","","4338.7","0.2","295.28","0.11","295.28","0.11","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl2 N3 O5 -","- C20 H19 Cl2 N3 O5 -","- C160 H152 Cl16 N24 O40 -","8","2","","Sang, Ji-Wei; Xie, Ming-Sheng; Wang, Man-Man; Qu, Gui-Rong; Guo, Hai-Ming","Chemo- and regioselective ring-opening of donor-acceptor oxiranes with <i>N</i>-heteroaromatics.","Chemical communications (Cambridge, England)","2021","57","37","4552","4555","10.1039/d1cc00600b","","x-ray","1.54184","CuKα","","0.0861","0.0769","","","0.2086","0.2268","","","","","","1.029","","","","has coordinates","265846","2021-06-05","17:18:35",""
"7128143","8.5243","0.0002","14.7793","0.0004","15.8032","0.0004","90","","90","","90","","1990.94","0.09","145","2","145","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 F O5 -","- C23 H21 F O5 -","- C92 H84 F4 O20 -","4","1","","Lu, Mengxue; Xiong, Zongli; Zhou, Yuqiao; Wang, Xin; Li, Xiaoyi; Duan, Jingxiang; Yao, Weijun; Xia, Yi; Wang, Zhen","Assembly of fluorinated chromanones <i>via</i> enantioselective tandem reaction.","Chemical communications (Cambridge, England)","2021","57","38","4722","4725","10.1039/d1cc01187a","","","1.54178","CuKα","","0.0354","0.0331","","","0.0843","0.0874","","","","","","1.089","","","","has coordinates","265901","2021-06-05","17:33:05",""
"7128170","9.5547","0.0002","10.0105","0.0003","24.6215","0.0005","90","","90","","90","","2354.98","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br N O2 -","- C27 H22 Br N O2 -","- C108 H88 Br4 N4 O8 -","4","1","","Yuan, Shu-Pei; Zhang, Xia-Yan; Jia, Yun-Qing; Wang, Zhen-Hua; Zhao, Jian-Qiang; You, Yong; Zhou, Ming-Qiang; Yuan, Wei-Cheng","Catalytic asymmetric coupling of vinylogous species <i>via</i> deconjugated butenolide addition to vinylogous imines <i>in situ</i> generated from arylsulfonyl indoles.","Chemical communications (Cambridge, England)","2021","57","40","4938","4941","10.1039/d1cc00777g","","","1.54184","CuKα","","0.0554","0.0431","","","0.0954","0.1053","","","","","","1.035","","","","has coordinates,has disorder","265880","2021-06-05","17:28:04",""
"7128195","3.8549","0.0009","11.732","0.002","27.48","0.005","90","","90","","90","","1242.8","0.4","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Br1.25 N0.75 O3.5 -","- C13 H8 Br1.25 N0.75 O3.5 -","- C52 H32 Br5 N3 O14 -","4","1","","Whittaker, Jacob J.; Brock, Aidan J.; Grosjean, Arnaud; Pfrunder, Michael C.; McMurtrie, John C.; Clegg, Jack K.","Comment on ""Trimorphs of 4-bromophenyl 4-bromobenzoate. Elastic, brittle, plastic"" by S. Saha and G. R. Desiraju, <i>Chem. Commun.</i>, 2018, <b>54</b>, 6348.","Chemical communications (Cambridge, England)","2021","57","40","4974","4975","10.1039/d0cc07668f","","","0.71073","MoKα","","0.0508","0.0455","","","0.0953","0.0979","","","","","","1.056","","","","has coordinates,has disorder","265884","2021-06-05","17:29:04",""
"7128201","6.5441","0.0019","8.977","0.003","28.197","0.008","90","","90","","90","","1656.5","0.9","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Chen, Jiangfei; Zhu, Yan-Ping; Li, Jin-Heng; Wang, Qiu-An","External-oxidant-free amino-benzoyloxylation of unactivated alkenes of unsaturated ketoximes with O-benzoylhydroxylamines.","Chemical communications (Cambridge, England)","2021","57","42","5215","5218","10.1039/d1cc01565f","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","265868","2021-06-05","17:26:06",""
"7128255","9.4654","0.0005","11.0784","0.0006","18.2148","0.001","90","","90","","90","","1910.03","0.18","297.5","0.7","297.5","0.7","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H14 F5 P -","- C24 H14 F5 P -","- C96 H56 F20 P4 -","4","1","","Ponce-de-León, Jaime; Infante, Rebeca; Espinet, Pablo","Easy wide scope access to luminescent fluorophosphoranes.","Chemical communications (Cambridge, England)","2021","57","44","5458","5461","10.1039/d1cc00976a","","x-ray","0.71073","MoKα","","0.0703","0.0442","","","0.0825","0.0985","","","","","","1.058","","","","has coordinates","265839","2021-06-05","17:17:28",""
"7128267","8.3245","0.0011","19.219","0.003","20.158","0.003","90","","90","","90","","3225","0.8","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Cl F5 N2 O3 Rh S -","- C32 H32 Cl F5 N2 O3 Rh S -","- C128 H128 Cl4 F20 N8 O12 Rh4 S4 -","4","1","","Nakamura, Hitomi; Yoshida, Minori; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Oxy-tethered Cp*Ir(III) complex as a competent catalyst for selective dehydrogenation from formic acid.","Chemical communications (Cambridge, England)","2021","57","45","5534","5537","10.1039/d1cc01712h","","","0.71075","MoKα","","","0.0396","","","","0.1008","","","","","","1","","","","has coordinates","265896","2021-06-05","17:32:11",""
"7128268","8.051","0.003","20.321","0.007","20.535","0.006","90","","90","","90","","3360","2","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 Cl3 F4 N2 O3 Rh S -","- C33 H34 Cl3 F4 N2 O3 Rh S -","- C132 H136 Cl12 F16 N8 O12 Rh4 S4 -","4","1","","Nakamura, Hitomi; Yoshida, Minori; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Oxy-tethered Cp*Ir(III) complex as a competent catalyst for selective dehydrogenation from formic acid.","Chemical communications (Cambridge, England)","2021","57","45","5534","5537","10.1039/d1cc01712h","","","0.71075","MoKα","","","0.076","","","","0.1633","","","","","","1","","","","has coordinates","265896","2021-06-05","17:32:11",""
"7128269","7.886","0.0016","19.686","0.004","20.376","0.004","90","","90","","90","","3163.2","1.1","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Cl F4 Ir N2 O3 S -","- C32 H30 Cl F4 Ir N2 O3 S -","- C128 H120 Cl4 F16 Ir4 N8 O12 S4 -","4","1","","Nakamura, Hitomi; Yoshida, Minori; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Oxy-tethered Cp*Ir(III) complex as a competent catalyst for selective dehydrogenation from formic acid.","Chemical communications (Cambridge, England)","2021","57","45","5534","5537","10.1039/d1cc01712h","","","0.71075","MoKα","","","0.0402","","","","0.1083","","","","","","1.007","","","","has coordinates","265896","2021-06-05","17:32:11",""
"7128270","8.17","0.002","15.036","0.004","27.939","0.007","90","","90","","90","","3432.1","1.5","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33 H35 Cl3 F5 Ir N2 O3 S -","- C33 H35 Cl3 F5 Ir N2 O3 S -","- C132 H140 Cl12 F20 Ir4 N8 O12 S4 -","4","1","","Nakamura, Hitomi; Yoshida, Minori; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Oxy-tethered Cp*Ir(III) complex as a competent catalyst for selective dehydrogenation from formic acid.","Chemical communications (Cambridge, England)","2021","57","45","5534","5537","10.1039/d1cc01712h","","","0.71075","MoKα","","","0.0353","","","","0.0856","","","","","","1","","","","has coordinates","265896","2021-06-05","17:32:11",""
"7128271","7.9971","0.0011","11.5082","0.0019","32.026","0.005","90","","90","","90","","2947.4","0.8","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl F5 N2 O2 Rh S -","- C30 H29 Cl F5 N2 O2 Rh S -","- C120 H116 Cl4 F20 N8 O8 Rh4 S4 -","4","1","","Nakamura, Hitomi; Yoshida, Minori; Matsunami, Asuka; Kuwata, Shigeki; Kayaki, Yoshihito","Oxy-tethered Cp*Ir(III) complex as a competent catalyst for selective dehydrogenation from formic acid.","Chemical communications (Cambridge, England)","2021","57","45","5534","5537","10.1039/d1cc01712h","","","0.71075","MoKα","","0.0539","0.0471","","","0.1089","0.1137","","","","","","1.016","","","","has coordinates","265896","2021-06-05","17:32:11",""
"7128282","10.4364","0.0017","12.3676","0.0018","14.215","0.002","90","","90","","90","","1834.8","0.5","273.15","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","DM-3-84","","- C22 H17 Cl N2 O -","- C22 H17 Cl N2 O -","- C88 H68 Cl4 N8 O4 -","4","1","","Mondal, Debasmita; Pal, Gargi; Chowdhury, Chinmay","Palladium(0)-catalysed regioselective cyclisations of 2-amino(tosyl) benzamides/sulphonamides: the stereoselective synthesis of 3-ylidene-[1,4]benzodiazepin-5-ones/benzo[<i>f</i>][1,2,5]thiadiazepine-1,1-dioxides.","Chemical communications (Cambridge, England)","2021","57","44","5462","5465","10.1039/d1cc00793a","","","1.54178","CuKα","","0.0351","0.0334","","","0.0823","0.085","","","","","","1.034","","","","has coordinates","265837","2021-06-05","17:17:13",""
"7128327","7.89131","0.00005","11.97867","0.00007","16.9967","0.00009","90","","90","","90","","1606.65","0.016","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2?-methylphenyl)-2,3,4-tri-O-methyl-α-L-rhamnopyranoside","","- C16 H24 O5 -","- C16 H24 O5 -","- C64 H96 O20 -","4","1","","Jones, Caleb A. H.; Schley, Nathan D.","Selective demethylation of <i>O</i>-aryl glycosides by iridium-catalyzed hydrosilylation.","Chemical communications (Cambridge, England)","2021","57","48","5953","5956","10.1039/d1cc00496d","","x-ray","1.54184","CuKα","","0.0253","0.0249","","","0.0647","0.0651","","","","","","1.056","","","","has coordinates","267032","2021-07-05","16:20:17",""
"7128330","10.18301","0.0001","13.55501","0.00011","13.69931","0.00014","90","","90","","90","","1890.93","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2?-t-butylphenyl)-α-L-rhamnopyranoside","","- C19 H28 O6 -","- C19 H28 O6 -","- C76 H112 O24 -","4","1","","Jones, Caleb A. H.; Schley, Nathan D.","Selective demethylation of <i>O</i>-aryl glycosides by iridium-catalyzed hydrosilylation.","Chemical communications (Cambridge, England)","2021","57","48","5953","5956","10.1039/d1cc00496d","","x-ray","1.54184","CuKα","","0.0284","0.0271","","","0.0666","0.0679","","","","","","1.05","","","","has coordinates","267032","2021-07-05","16:20:18",""
"7128331","7.71828","0.00006","13.89043","0.0001","17.59797","0.00013","90","","90","","90","","1886.68","0.02","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2?-t-butylphenyl)-2,3,4-tri-O-methyl-α-L-rhamnopyranoside","","- C19 H30 O5 -","- C19 H30 O5 -","- C76 H120 O20 -","4","1","","Jones, Caleb A. H.; Schley, Nathan D.","Selective demethylation of <i>O</i>-aryl glycosides by iridium-catalyzed hydrosilylation.","Chemical communications (Cambridge, England)","2021","57","48","5953","5956","10.1039/d1cc00496d","","x-ray","1.54184","CuKα","","0.029","0.0279","","","0.0701","0.0708","","","","","","1.036","","","","has coordinates","267032","2021-07-05","16:20:18",""
"7128332","7.72846","0.00011","13.3986","0.0002","17.3987","0.0003","90","","90","","90","","1801.64","0.05","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","S-5 (2?-isopropylphenyl)-2,3,4-tri-O-methyl-α-L-rhamnopyranoside","","- C18 H28 O5 -","- C18 H28 O5 -","- C72 H112 O20 -","4","1","","Jones, Caleb A. H.; Schley, Nathan D.","Selective demethylation of <i>O</i>-aryl glycosides by iridium-catalyzed hydrosilylation.","Chemical communications (Cambridge, England)","2021","57","48","5953","5956","10.1039/d1cc00496d","","x-ray","1.54184","CuKα","","0.0422","0.0409","","","0.1013","0.1025","","","","","","1.037","","","","has coordinates,has disorder","267032","2021-07-05","16:20:18",""
"7128335","11.0959","0.0005","15.0897","0.0007","16.0556","0.0006","90","","90","","90","","2688.3","0.2","149","2","149","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 F N3 -","- C16 H14 F N3 -","- C128 H112 F8 N24 -","8","2","","Liang, Qiuming; Hayashi, Kasumi; Zeng, Yimin; Jimenez-Santiago, Jose L; Song, Datong","Constructing fused N-heterocycles from unprotected mesoionic N-heterocyclic olefins and organic azides <i>via</i> diazo transfer.","Chemical communications (Cambridge, England)","2021","57","50","6137","6140","10.1039/d1cc02245h","","","0.71073","MoKα","","0.0425","0.0335","","","0.0777","0.0805","","","","","","1.033","","","","has coordinates","267021","2021-07-05","16:18:06",""
"7128369","12.9942","0.0004","21.2069","0.0006","22.7887","0.0007","90","","90","","90","","6279.8","0.3","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H87 Al2 N5 -","- C62 H87 Al2 N5 -","- C248 H348 Al8 N20 -","4","1","","Chen, Weixing; Liu, Li; Zhao, Yanxia; Xue, Yujie; Xu, Wenhua; Li, Nan; Wu, Biao; Yang, Xiao-Juan","Organometallo-macrocycle assembled through dialumane-mediated C-H activation of pyridines.","Chemical communications (Cambridge, England)","2021","57","51","6268","6271","10.1039/d1cc00318f","","","0.71073","MoKα","","0.0748","0.0519","","","0.0892","0.0979","","","","","","1.108","","","","has coordinates","267000","2021-07-05","16:12:38",""
"7128383","10.6306","0.0008","15.1263","0.0011","17.9884","0.0014","90","","90","","90","","2892.6","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H28 N2 O -","- C38 H28 N2 O -","- C152 H112 N8 O4 -","4","1","","Changmai, Sumi; Sultana, Sabera; Sarma, Bipul; Gogoi, Sanjib","Pd(II)-Catalyzed alkyne annulation through allylic isomerization: synthesis of spiro-cyclopentadiene pyrazolones.","Chemical communications (Cambridge, England)","2021","57","49","6027","6030","10.1039/d1cc02155a","","","0.71073","MoKα","","0.0832","0.0517","","","0.1127","0.1312","","","","","","1.024","","","","has coordinates","267038","2021-07-05","16:21:49",""
"7128393","4.1619","0.0007","13.023","0.002","21.315","0.004","90","","90","","90","","1155.3","0.3","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","","Zhou, Zhan-Yu; Xu, Zhong-Yang; Shen, Qiao-Yu; Huang, Li-Sha; Zhang, Xing; Xia, Ai-Bao; Xu, Dan-Qian; Xu, Zhen-Yuan","<i>In situ</i> generation of highly reactive allenes from nitrocyclopropanes: controllable synthesis of enynes and enesters.","Chemical communications (Cambridge, England)","2021","57","52","6424","6427","10.1039/d1cc01573g","","","0.71073","MoKα","","0.0866","0.0393","","","0.105","0.1413","","","","","","0.835","","","","has coordinates","267012","2021-07-05","16:15:39",""
"7128408","3.927","0.004","11.665","0.012","27.84","0.03","90","","90","","90","","1275","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 Cl3 O2 -","- C13 H7 Cl3 O2 -","- C52 H28 Cl12 O8 -","4","1","","Saha, Subhankar; Desiraju, Gautam R.","Reply to the 'Comment on ""Trimorphs of 4-bromophenyl 4-bromobenzoate. Elastic, brittle, plastic""' by J. J. Whittaker, A. J. Brock, A. Grosjean, M. C. Pfrunder, J. C. McMurtrie and J. K. Clegg, <i>Chem. Commun.</i>, 2021, <b>57</b>, DOI: 10.1039/D0CC07668F.","Chemical communications (Cambridge, England)","2021","57","40","4976","4978","10.1039/d1cc00159k","","","0.71073","MoKα","","0.0726","0.0623","","","0.1233","0.1294","","","","","","1.083","","","","has coordinates","265777","2021-06-04","08:05:49",""
"7128440","8.0465","0.0001","15.391","0.0001","16.9396","0.0001","90","","90","","90","","2097.86","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cl6 Mn N4 -","- C10 H28 Cl6 Mn N4 -","- C40 H112 Cl24 Mn4 N16 -","4","1","","Pan, Hong-Mei; Yang, Qian-Lu; Xing, Xin-Xin; Li, Jia-Peng; Meng, Fan-Lei; Zhang, Xin; Xiao, Pan-Chao; Yue, Cheng-Yang; Lei, Xiao-Wu","Enhancement of the photoluminescence efficiency of hybrid manganese halides through rational structural design.","Chemical communications (Cambridge, England)","2021","57","56","6907","6910","10.1039/d1cc02353e","","","1.54178","CuKα","","0.026","0.0246","","","0.061","0.0621","","","","","","1.038","","","","has coordinates","268515","2021-09-06","09:04:41",""
"7128482","9.0808","0.0012","10.5099","0.0014","11.796","0.0016","90","","90","","90","","1125.8","0.3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl N O3 -","- C11 H12 Cl N O3 -","- C44 H48 Cl4 N4 O12 -","4","1","","Toda, Yasunori; Shishido, Minoru; Aoki, Tatsuya; Sukegawa, Kimiya; Suga, Hiroyuki","Switchable synthesis of cyclic carbamates by carbon dioxide fixation at atmospheric pressure.","Chemical communications (Cambridge, England)","2021","57","54","6672","6675","10.1039/d1cc02493k","","","0.71073","MoKα","","0.1527","0.0508","","","0.0754","0.1002","","","","","","0.982","","","","has coordinates","268600","2021-09-06","09:38:09",""
"7128483","6.554","0.0003","16.2084","0.0007","16.8478","0.0008","90","","90","","90","","1789.74","0.14","280","2","280.63","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O2 -","- C21 H24 O2 -","- C84 H96 O8 -","4","1","","Dai, Zhen-Yao; Wang, Pu-Sheng; Gong, Liu-Zhu","Access to chiral γ-butenolides via palladium-catalyzed asymmetric allylic C-H alkylation of 1,4-dienes.","Chemical communications (Cambridge, England)","2021","57","55","6748","6751","10.1039/d1cc02295d","","","1.34139","GaKα","","0.0731","0.045","","","0.0994","0.1141","","","","","","1.128","","","","has coordinates","268507","2021-09-06","09:02:52",""
"7128499","5.063","0.0007","6.0703","0.0011","36.335","0.005","90","","90","","90","","1116.7","0.3","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H8 Br N O -","- C15 H8 Br N O -","- C60 H32 Br4 N4 O4 -","4","1","","Aher, Yogesh N.; Pawar, Amit B.","Cp*Co(III)-Catalyzed C−H Amination/Annulation Cascade of Sulfoxonium Ylides with Anthranils for the Synthesis of Indoloindolones","Chemical Communications","2021","","","","","10.1039/D1CC02817K","","x-ray","1.54184","CuKα","","0.0658","0.0553","","","0.1331","0.137","","","","","","1.066","","","","has coordinates","266503","2021-06-17","01:03:42",""
"7128511","15.404","0.002","15.899","0.002","17.995","0.002","90","","90","","90","","4407.1","0.9","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H68 Br2 N2 O2 -","- C44 H68 Br2 N2 O2 -","- C176 H272 Br8 N8 O8 -","4","1","","Sugiura, Shinya; Maeda, Hiromitsu","Pyrrole-bridged quinones: π-electronic systems that modulate electronic structures by tautomerism and deprotonation.","Chemical communications (Cambridge, England)","2021","57","57","6983","6986","10.1039/d1cc02691g","","","0.71073","MoKα","","0.0731","0.0547","","","0.1223","0.1307","","","","","","1.025","","","","has coordinates","268544","2021-09-06","09:12:36",""
"7128518","11.8829","0.0011","15.5031","0.0014","23.241","0.002","90","","90","","90","","4281.5","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H56 Cl N2 P Si -","- C48 H56 Cl N2 P Si -","- C192 H224 Cl4 N8 P4 Si4 -","4","1","","Takahashi, Shintaro; Ishii, Akihiko; Nakata, Norio","Formation of silaimines from a sterically demanding iminophosphonamido chlorosilylene <i>via</i> intramolecular N-P bond cleavage.","Chemical communications (Cambridge, England)","2021","57","55","6728","6731","10.1039/d1cc02812j","","","0.71073","MoKα","","0.0599","0.0446","","","0.0868","0.0906","","","","","","1.01","","","","has coordinates","268509","2021-09-06","09:03:15",""
"7128547","9.73","0.0002","11.7702","0.0003","16.4807","0.0004","90","","90","","90","","1887.44","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O4 S -","- C17 H26 N2 O4 S -","- C68 H104 N8 O16 S4 -","4","1","","Xiong, Qian; Luo, Qiliang; Zhang, Tinghui; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric multicomponent reactions of isocyanide, isothiocyanate and alkylidene malonates.","Chemical communications (Cambridge, England)","2021","57","59","7288","7291","10.1039/d1cc02939h","","","1.54178","CuKα","","0.0256","0.0252","","","0.0699","0.0704","","","","","","1.101","","","","has coordinates","268585","2021-09-06","09:34:11",""
"7128557","11.5367","0.0012","14.1314","0.0016","15.3922","0.0019","90","","90","","90","","2509.4","0.5","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H21 Cl2 O P -","- C33 H21 Cl2 O P -","- C132 H84 Cl8 O4 P4 -","4","1","","Mokrai, Réka; Mocanu, Anabella; Duffy, Matthew P.; Vives, Thomas; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Nyulászi, László; Benkő, Zoltán; Bouit, Pierre-Antoine; Hissler, Muriel","Stereospecific synthesis of chiral P-containing polyaromatics based on 7-membered P-rings.","Chemical communications (Cambridge, England)","2021","57","59","7256","7259","10.1039/d1cc02293h","","x-ray","0.71073","MoKα","","0.057","0.0499","","","0.1316","0.1393","","","","","","1.062","","","","has coordinates","268580","2021-09-06","09:32:35",""
"7128558","8.3929","0.0007","15.4894","0.0012","17.31","0.0016","90","","90","","90","","2250.3","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 O P -","- C32 H21 O P -","- C128 H84 O4 P4 -","4","1","","Mokrai, Réka; Mocanu, Anabella; Duffy, Matthew P.; Vives, Thomas; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Nyulászi, László; Benkő, Zoltán; Bouit, Pierre-Antoine; Hissler, Muriel","Stereospecific synthesis of chiral P-containing polyaromatics based on 7-membered P-rings.","Chemical communications (Cambridge, England)","2021","57","59","7256","7259","10.1039/d1cc02293h","","x-ray","0.71073","MoKα","","0.0428","0.0366","","","0.0847","0.0881","","","","","","1.04","","","","has coordinates","268580","2021-09-06","09:32:37",""
"7128559","11.636","0.003","14.154","0.003","15.569","0.003","90","","90","","90","","2564.2","1","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H21 Cl2 O P -","- C33 H21 Cl2 O P -","- C132 H84 Cl8 O4 P4 -","4","1","","Mokrai, Réka; Mocanu, Anabella; Duffy, Matthew P.; Vives, Thomas; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Nyulászi, László; Benkő, Zoltán; Bouit, Pierre-Antoine; Hissler, Muriel","Stereospecific synthesis of chiral P-containing polyaromatics based on 7-membered P-rings.","Chemical communications (Cambridge, England)","2021","57","59","7256","7259","10.1039/d1cc02293h","","x-ray","0.71073","MoKα","","0.1225","0.0794","","","0.2281","0.2668","","","","","","1.043","","","","has coordinates","268580","2021-09-06","09:32:37",""
"7128560","8.4045","0.0005","15.4654","0.0008","17.2962","0.0011","90","","90","","90","","2248.1","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 O P -","- C32 H21 O P -","- C128 H84 O4 P4 -","4","1","","Mokrai, Réka; Mocanu, Anabella; Duffy, Matthew P.; Vives, Thomas; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Nyulászi, László; Benkő, Zoltán; Bouit, Pierre-Antoine; Hissler, Muriel","Stereospecific synthesis of chiral P-containing polyaromatics based on 7-membered P-rings.","Chemical communications (Cambridge, England)","2021","57","59","7256","7259","10.1039/d1cc02293h","","x-ray","0.71073","MoKα","","0.0513","0.041","","","0.1021","0.1083","","","","","","1.035","","","","has coordinates","268580","2021-09-06","09:32:37",""
"7128561","14.699","0.003","15.681","0.003","24.869","0.004","90","","90","","90","","5732.2","1.8","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 Au Cl P -","- C32 H21 Au Cl P -","- C256 H168 Au8 Cl8 P8 -","8","2","","Mokrai, Réka; Mocanu, Anabella; Duffy, Matthew P.; Vives, Thomas; Caytan, Elsa; Dorcet, Vincent; Roisnel, Thierry; Nyulászi, László; Benkő, Zoltán; Bouit, Pierre-Antoine; Hissler, Muriel","Stereospecific synthesis of chiral P-containing polyaromatics based on 7-membered P-rings.","Chemical communications (Cambridge, England)","2021","57","59","7256","7259","10.1039/d1cc02293h","","x-ray","0.71073","MoKα","","0.0454","0.0438","","","0.1123","0.1135","","","","","","1.065","","","","has coordinates","268580","2021-09-06","09:32:37",""
"7128573","3.8267","0.0002","14.2898","0.0006","17.5522","0.0007","90","","90","","90","","959.8","0.07","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H7 Cl2 N -","- C12 H7 Cl2 N -","- C48 H28 Cl8 N4 -","4","1","","Pocock, Ian A.; Alotaibi, Alya M.; Jagdev, Kesar; Prior, Connor; Burgess, Gregory R.; Male, Louise; Grainger, Richard S.","Direct formation of 4,5-disubstituted carbazoles via regioselective dilithiation.","Chemical communications (Cambridge, England)","2021","57","59","7252","7255","10.1039/d1cc02892h","","x-ray","1.54184","CuKα","","0.0298","0.027","","","0.0664","0.0683","","","","","","1.073","","","","has coordinates","268587","2021-09-06","09:34:44",""
"7128584","7.6661","0.0019","13.863","0.003","19.578","0.005","90","","90","","90","","2080.7","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O S -","- C26 H24 O S -","- C104 H96 O4 S4 -","4","1","","Wang, Yuna; Qi, Zaojuan; Niu, Yanning; Feng, Hua; Benassi, Enrico; Qian, Bo","Selective oxidative intermolecular carbosulphenylation of aryl alkenes with thiols and nucleophiles <i>via</i> a 1,2-dithioethane intermediate.","Chemical communications (Cambridge, England)","2021","57","61","7533","7536","10.1039/d1cc02517a","","","0.71073","MoKα","","0.0802","0.0442","","","0.0998","0.1155","","","","","","1","","","","has coordinates","268614","2021-09-06","09:49:04",""
"7128589","10.1604","0.0008","10.197","0.001","11.8624","0.0013","90","","90","","90","","1229","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(S)-1-((4-bromophenyl)sulfonyl)-3-fluoropyrrolidine","","- C10 H11 Br F N O2 S -","- C10 H11 Br F N O2 S -","- C40 H44 Br4 F4 N4 O8 S4 -","4","1","","Wang, Xiu; Zhou, Min; Liu, Qinghe; Ni, Chuanfa; Fei, Zhongbo; Li, Wei; Hu, Jinbo","Deoxyfluorination of alcohols with aryl fluorosulfonates.","Chemical communications (Cambridge, England)","2021","57","66","8170","8173","10.1039/d1cc02617h","","","0.71073","MoKα","","0.0654","0.0439","","","0.1073","0.1181","","","","","","1.05","","","","has coordinates","268549","2021-09-06","09:13:43",""
"7128596","8.315","0.003","11.835","0.005","16.239","0.006","90","","90","","90","","1598","1.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 F N2 O2 S -","- C15 H21 F N2 O2 S -","- C60 H84 F4 N8 O8 S4 -","4","1","","Riley, William; Jones, Andrew C.; Singh, Kuldip; Browne, Duncan L.; Stuart, Alison M.","Accessing novel fluorinated heterocycles with the hypervalent fluoroiodane reagent by solution and mechanochemical synthesis.","Chemical communications (Cambridge, England)","2021","57","60","7406","7409","10.1039/d1cc02587b","","","0.71073","MoKα","","0.0607","0.0497","","","0.1054","0.1101","","","","","","1.072","","","","has coordinates","268577","2021-09-06","09:31:58",""
"7128627","7.4617","0.0007","9.0098","0.0008","23.284","0.002","90","","90","","90","","1565.3","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound1","","","- C21 H14 N O P -","- C21 H14 N O P -","- C84 H56 N4 O4 P4 -","4","1","","Romero-Nieto, Carlos; de Cózar, A; Regulska, Elzbieta; Mullenix, John B.; Rominger, Frank; Hindenberg, Philip","Controlling the molecular arrangement of racemates through weak interactions: the synergy between π-interactions and halogen bonds.","Chemical communications (Cambridge, England)","2021","57","60","7366","7369","10.1039/d1cc01700d","","","0.71073","MoKα","","0.1325","0.0714","","","0.1245","0.1458","","","","","","1","","","","has coordinates","268575","2021-09-06","09:31:38",""
"7128640","8.4292","0.0001","17.2642","0.0001","22.5485","0.0002","90","","90","","90","","3281.33","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H27 Br3 N2 O3 -","- C37 H27 Br3 N2 O3 -","- C148 H108 Br12 N8 O12 -","4","1","","Yuan, Haoxuan; Hong, Kemiao; Liu, Xiangrong; Qian, Yu; Xu, Xinfang; Hu, Wenhao","Enantioselective assembly of 3,3-disubstituted succinimides <i>via</i> three-component reaction of vinyl diazosuccinimides with alcohols and imines.","Chemical communications (Cambridge, England)","2021","57","65","8043","8046","10.1039/d1cc02876f","","x-ray","1.54184","CuKα","","0.0344","0.032","","","0.0728","0.0741","","","","","","1.067","","","","has coordinates","268569","2021-09-06","09:30:11",""
"7128674","8.4668","0.0001","12.0291","0.0001","18.2481","0.0002","90","","90","","90","","1858.53","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 Br N2 O2 -","- C23 H15 Br N2 O2 -","- C92 H60 Br4 N8 O8 -","4","1","","Sun, Lincong; Liu, Bingxian; Zhao, Yanlian; Chang, Junbiao; Kong, Lingheng; Wang, Fen; Deng, Wei-Qiao; Li, Xingwei","Rhodium(iii)-catalyzed asymmetric [4+1] spiroannulations of O-pivaloyl oximes with α-diazo compounds.","Chemical communications (Cambridge, England)","2021","57","67","8268","8271","10.1039/d1cc02888j","","x-ray","1.54184","CuKα","","0.0277","0.0271","","","0.0731","0.0736","","","","","","1.076","","","","has coordinates","268604","2021-09-06","09:38:38",""
"7128682","17.3827","0.0003","22.9977","0.0004","38.292","0.0006","90","","90","","90","","15307.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C141 H204 O21 P3 Tb3 -","- C141 H204 O21 P3 Tb3 -","- C564 H816 O84 P12 Tb12 -","4","1","","Kitagawa, Yuichi; Matsuda, Kenji; da Rosa, Pedro Paulo Ferreira; Fushimi, Koji; Hasegawa, Yasuchika","Long-lived emission beyond 1000 nm: control of excited-state dynamics in a dinuclear Tb(III)-Nd(III) complex.","Chemical communications (Cambridge, England)","2021","57","65","8047","8050","10.1039/d1cc03596g","","x-ray","0.71073","MoKα","","0.0521","0.0398","","","0.0918","0.0949","","","","","","1.051","","","","has coordinates","268572","2021-09-06","09:30:54",""
"7128691","10.36756","0.00012","11.59613","0.00014","17.36693","0.00019","90","","90","","90","","2087.91","0.04","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 F2 N2 O3 S -","- C22 H22 F2 N2 O3 S -","- C88 H88 F8 N8 O12 S4 -","4","1","","Dai, Rui-Han; Han, Lu; Wang, Qi; Tian, Shi-Kai","Strain-release C-C bond cleavage enables the [2,3]-sigmatropic rearrangement of tertiary allylamines.","Chemical communications (Cambridge, England)","2021","57","68","8449","8451","10.1039/d1cc03141d","","x-ray","1.54184","CuKα","","0.0367","0.0361","","","0.0996","0.1003","","","","","","1.089","","","","has coordinates","268562","2021-09-06","09:26:33",""
"7128741","7.6078","0.00015","9.1979","0.0002","13.39653","0.00018","90","","90","","90","","937.43","0.03","100.02","0.1","100.02","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","","Miyazawa, Takeshi; Fitzgerald, Brendan J.; Keatinge-Clay, Adrian T","Preparative production of an enantiomeric pair by engineered polyketide synthases.","Chemical communications (Cambridge, England)","2021","57","70","8762","8765","10.1039/d1cc03073f","","x-ray","1.54184","CuKα","","0.0281","0.0277","","","0.0732","0.0738","","","","","","1.127","","","","has coordinates","268501","2021-09-06","08:59:34",""
"7128742","7.608","0.0002","9.2035","0.0003","13.3936","0.0003","90","","90","","90","","937.82","0.04","100.02","0.1","100.02","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 O3 -","- C9 H14 O3 -","- C36 H56 O12 -","4","1","","Miyazawa, Takeshi; Fitzgerald, Brendan J.; Keatinge-Clay, Adrian T","Preparative production of an enantiomeric pair by engineered polyketide synthases.","Chemical communications (Cambridge, England)","2021","57","70","8762","8765","10.1039/d1cc03073f","","x-ray","1.54184","CuKα","","0.0307","0.03","","","0.0789","0.0797","","","","","","1.112","","","","has coordinates","268501","2021-09-06","08:59:44",""
"7128751","5.0393","0.0003","11.5613","0.0006","26.3881","0.0015","90","","90","","90","","1537.39","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'ethyl (E)-11,13-dihydro-12H-dibenzo[c,h][1,2,6]triazonine-12-carboxylate'","","- C17 H17 N3 O2 -","- C17 H17 N3 O2 -","- C68 H68 N12 O8 -","4","1","","Goual, Nawel; Casimiro, Lorenzo; Delattre, Vincent; Retailleau, Pascal; Maisonneuve, Stéphane; Bogliotti, Nicolas; Métivier, Rémi; Xie, Juan; Marinetti, Angela; Voituriez, Arnaud","Triazonine-based bistable photoswitches: synthesis, characterization and photochromic properties.","Chemical communications (Cambridge, England)","2021","57","78","10079","10082","10.1039/d1cc02746h","","x-ray","0.71073","MoKα","","0.0498","0.0384","","","0.0931","0.0985","","","","","","1.058","","","","has coordinates","269603","2021-10-06","13:41:52",""
"7128756","11.71838","0.00015","13.40753","0.00016","18.3196","0.0002","90","","90","","90","","2878.28","0.06","204","6","204","6","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H23 F3 N2 O2 S2 -","- C33 H23 F3 N2 O2 S2 -","- C132 H92 F12 N8 O8 S8 -","4","1","","Yan, Ru-Jie; Liu, Bao-Xin; Hu, Yuan; Du, Wei; Chen, Ying-Chun","Generation of zwitterionic trifluoromethyl <i>N</i>-allylic ylides and their use in switchable divergent annulations.","Chemical communications (Cambridge, England)","2021","57","72","9056","9059","10.1039/d1cc03830c","","x-ray","1.54184","CuKα","","0.0512","0.0497","","","0.1267","0.1289","","","","","","1.057","","","","has coordinates","269663","2021-10-06","14:02:47",""
"7128757","8.6266","0.0007","18.4175","0.0016","19.2928","0.0017","90","","90","","90","","3065.2","0.5","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H22 F3 N3 O2 S3 -","- C34 H22 F3 N3 O2 S3 -","- C136 H88 F12 N12 O8 S12 -","4","1","","Yan, Ru-Jie; Liu, Bao-Xin; Hu, Yuan; Du, Wei; Chen, Ying-Chun","Generation of zwitterionic trifluoromethyl <i>N</i>-allylic ylides and their use in switchable divergent annulations.","Chemical communications (Cambridge, England)","2021","57","72","9056","9059","10.1039/d1cc03830c","","","0.71073","MoKα","","0.1304","0.0571","","","0.1181","0.1485","","","","","","1.006","","","","has coordinates","269663","2021-10-06","14:02:47",""
"7128806","10.2902","0.0003","13.8257","0.0004","18.5139","0.0006","90","","90","","90","","2633.96","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O8 -","- C26 H32 N2 O8 -","- C104 H128 N8 O32 -","4","1","","Wang, Kaixuan; Xu, Chaoran; Hu, Xinyue; Zhou, Yuqiao; Lin, Lili; Feng, Xiaoming","Catalytic asymmetric [3+2] cycloaddition of isomünchnones with methyleneindolinones","Chemical Communications","2021","57","71","8917","8920","10.1039/D1CC03685H","","","1.54178","CuKα","","0.0278","0.0277","","","0.0735","0.0736","","","","","","1.081","","","","has coordinates","269662","2021-10-06","14:02:06",""
"7128821","8.9528","0.0003","12.4499","0.0005","26.0558","0.0012","90","","90","","90","","2904.2","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 Cl3 N3 O6 -","- C31 H26 Cl3 N3 O6 -","- C124 H104 Cl12 N12 O24 -","4","1","","Cui, Zhaohui; Zhang, Kuan; Gu, Lijie; Bu, Zhanwei; Zhao, Junwei; Wang, Qilin","Diastereoselective trifunctionalization of pyridinium salts to access structurally crowded azaheteropolycycles.","Chemical communications (Cambridge, England)","2021","57","74","9402","9405","10.1039/d1cc03478b","","x-ray","1.54184","CuKα","","0.0721","0.0624","","","0.1571","0.1694","","","","","","1.05","","","","has coordinates,has disorder","269651","2021-10-06","13:58:52",""
"7128847","11.9598","0.0007","12.3574","0.0007","28.0107","0.0015","90","","90","","90","","4139.8","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 F6 N6 Ni O5 S2 -","- C36 H48 F6 N6 Ni O5 S2 -","- C144 H192 F24 N24 Ni4 O20 S8 -","4","1","","Pandey, Pragati; Bera, Jitendra K.","Hydrosilylative reduction of primary amides to primary amines catalyzed by a terminal [Ni-OH] complex.","Chemical communications (Cambridge, England)","2021","57","73","9204","9207","10.1039/d1cc03537a","","","0.71073","MoKα","","0.0708","0.0456","","","0.089","0.0964","","","","","","1.042","","","","has coordinates","269617","2021-10-06","13:47:30",""
"7128859","9.6865","0.0007","10.34","0.0008","17.7546","0.0011","90","","90","","90","","1778.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O4 -","- C16 H28 N2 O4 -","- C64 H112 N8 O16 -","4","1","","Mao, Zhuo-Ya; Nie, Xiao-Di; Feng, Yi-Man; Si, Chang-Mei; Wei, Bang-Guo; Lin, Guo-Qiang","Cu(OTf)<sub>2</sub> catalyzed Ugi-type reaction of <i>N</i>,<i>O</i>-acetals with isocyanides for the synthesis of pyrrolidinyl and piperidinyl 2-carboxamides.","Chemical communications (Cambridge, England)","2021","57","73","9248","9251","10.1039/d1cc03113a","","","0.71073","MoKα","","0.0546","0.0389","","","0.0833","0.0935","","","","","","1.039","","","","has coordinates","269606","2021-10-06","13:43:26",""
"7128869","7.946","0.009","8.073","0.01","39.47","0.05","90","","90","","90","","2532","5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Br O5 -","- C28 H33 Br O5 -","- C112 H132 Br4 O20 -","4","1","","Tsuchiya, Motoki; Maeda, Hazuki; Inoue, Ryo; Morisaki, Yasuhiro","Construction of helical structures with planar chiral [2.2]paracyclophane: fusing helical and planar chiralities.","Chemical communications (Cambridge, England)","2021","57","73","9256","9259","10.1039/d1cc03320d","","","0.71075","MoKα","","0.0462","0.0427","","","0.1055","0.1088","","","","","","1.1","","","","has coordinates,has disorder","269607","2021-10-06","13:43:46",""
"7128871","11.0786","0.0007","15.0781","0.0009","15.4237","0.0009","90","","90","","90","","2576.4","0.3","123","","123","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","Tsuchiya, Motoki; Maeda, Hazuki; Inoue, Ryo; Morisaki, Yasuhiro","Construction of helical structures with planar chiral [2.2]paracyclophane: fusing helical and planar chiralities.","Chemical communications (Cambridge, England)","2021","57","73","9256","9259","10.1039/d1cc03320d","","x-ray","0.71073","MoKα","","0.1017","0.063","","","0.1076","0.1219","","","","","","1.015","","","","has coordinates","269607","2021-10-06","13:43:46",""
"7128874","8.389","0.0002","21.6023","0.0006","30.9026","0.0008","90","","90","","90","","5600.2","0.3","150","","150","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 -","- C40 H32 -","- C320 H256 -","8","2","","Tsuchiya, Motoki; Maeda, Hazuki; Inoue, Ryo; Morisaki, Yasuhiro","Construction of helical structures with planar chiral [2.2]paracyclophane: fusing helical and planar chiralities.","Chemical communications (Cambridge, England)","2021","57","73","9256","9259","10.1039/d1cc03320d","","x-ray","0.71073","MoKα","","0.163","0.0676","","","0.1009","0.125","","","","","","1","","","","has coordinates","269607","2021-10-06","13:43:46",""
"7128884","16.8732","0.0002","20.5915","0.0002","32.4982","0.0005","90","","90","","90","","11291.3","0.2","100.02","0.1","100.02","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C108 H78 F18 Ir3 N12 P3 -","- C108 H78 F18 Ir3 N12 P3 -","- C432 H312 F72 Ir12 N48 P12 -","4","1","","Sunohara, Haruka; Koyamada, Kenta; Takezawa, Hiroki; Fujita, Makoto","An Ir<sub>3</sub>L<sub>2</sub> complex with anion binding pockets: photocatalytic <i>E</i>-<i>Z</i> isomerization <i>via</i> molecular recognition.","Chemical communications (Cambridge, England)","2021","57","73","9300","9302","10.1039/d1cc03620c","","x-ray","1.54184","CuKα","","0.0846","0.0489","","","0.1004","0.1152","","","","","","0.962","","","","has coordinates","269615","2021-10-06","13:46:59",""
"7128916","6.839","0.003","10.851","0.005","18.519","0.008","90","","90","","90","","1374.3","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- I Na7 O15 S3 -","- I Na7 O15 S3 -","- I4 Na28 O60 S12 -","4","1","","Ding, Mengmeng; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng","Na<sub>7</sub>(IO<sub>3</sub>)(SO<sub>4</sub>)<sub>3</sub>: the first noncentrosymmetric alkaline-metal iodate-sulfate with isolated [IO<sub>3</sub>] and [SO<sub>4</sub>] units.","Chemical communications (Cambridge, England)","2021","57","75","9598","9601","10.1039/d1cc03483a","","","0.71073","MoKα","","0.0751","0.05","","","0.0899","0.1008","","","","","","1.119","","","","has coordinates","269643","2021-10-06","13:56:34",""
"7128941","9.8999","0.0002","13.7881","0.0003","27.3121","0.0006","90","","90","","90","","3728.12","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(2-fluoro-5-(trifluoromethyl)phenyl)-4-methyl-2-(phenylthio)quinoline","","- C23 H15 F4 N S -","- C23 H15 F4 N S -","- C184 H120 F32 N8 S8 -","8","2","","Cardenas, Mariel M.; Saputra, Mirza A.; Gordon, Deane A.; Sanchez, Andrea N.; Yamamoto, Nobuyuki; Gustafson, Jeffrey L.","Catalytic atroposelective dynamic kinetic resolutions and kinetic resolutions towards 3-arylquinolines <i>via</i> S<sub>N</sub>Ar.","Chemical communications (Cambridge, England)","2021","57","78","10087","10090","10.1039/d1cc04335h","","","0.71073","MoKα","","0.0226","0.0223","","","0.0591","0.0594","","","","","","1.058","","","","has coordinates,has disorder","269601","2021-10-06","13:41:21",""
"7128943","9.4348","0.0004","10.8834","0.0005","24.5503","0.0009","90","","90","","90","","2520.89","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H24 N4 O2 -","- C31 H24 N4 O2 -","- C124 H96 N16 O8 -","4","1","","Yan, Hang; Jia, Shi-Kun; Geng, Yu-Huan; Han, Jiao-Jiao; Hua, Yuan-Zhao; Wang, Min-Can","Dinuclear zinc-catalyzed asymmetric Friedel-Crafts alkylation/cyclization of 3-aminophenols with α,α-dicyanoolefins.","Chemical communications (Cambridge, England)","2021","57","77","9854","9857","10.1039/d1cc04177k","","","1.54184","CuKα","","0.0472","0.0404","","","0.0993","0.1049","","","","","","1.053","","","","has coordinates","269621","2021-10-06","13:48:31",""
"7129001","7.252","0.0006","8.5655","0.0008","13.9821","0.0012","90","","90","","90","","868.53","0.13","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 Br F3 N O -","- C7 H5 Br F3 N O -","- C28 H20 Br4 F12 N4 O4 -","4","1","","Lauzon, Samuel; Ollevier, Thierry","2,2'-Bipyridine-α,α'-trifluoromethyl-diol ligand: synthesis and application in the asymmetric Et<sub>2</sub>Zn alkylation of aldehydes.","Chemical communications (Cambridge, England)","2021","57","84","11025","11028","10.1039/d1cc04556c","","x-ray","1.54178","CuKα","","0.0172","0.0172","","","0.0449","0.0449","","","","","","1.173","","","","has coordinates","270392","2021-11-06","18:56:38",""
"7129018","6.0949","0.0002","9.8024","0.0003","18.4664","0.0005","90","","90","","90","","1103.27","0.06","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N',N'-trimethyl-4-nitrobenzohydrazide","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C40 H52 N12 O12 -","4","1","","Deka, Jugal Kishore Rai; Kalita, Debajit; Sahariah, Biswajit; Sarma, Bani Kanta","n<sub>N</sub> → π*<sub>Ar</sub> interactions stabilize the <i>E</i>-ac isomers of arylhydrazides and facilitate their S<sub>N</sub>Ar autocyclizations.","Chemical communications (Cambridge, England)","2021","57","85","11236","11239","10.1039/d1cc04533d","","","0.71073","MoKα","","0.0473","0.0365","","","0.0833","0.0914","","","","","","1.079","","","","has coordinates","270386","2021-11-06","18:54:51",""
"7129048","11.336","0.0004","11.9463","0.0003","16.0968","0.0007","90","","90","","90","","2179.88","0.13","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N3 O4 -","- C25 H25 N3 O4 -","- C100 H100 N12 O16 -","4","1","","Li, Haizhen; Wu, Jinyu; Zheng, Jianfeng; Li, Wei-Dong Z","Synthesis of polycyclic spiroindolines <i>via</i> the cascade reaction of 3-(2-isocyanoethyl)indoles.","Chemical communications (Cambridge, England)","2021","57","84","11092","11095","10.1039/d1cc04576h","","x-ray","0.71073","MoKα","","0.0834","0.0567","","","0.1245","0.1399","","","","","","1.028","","","","has coordinates","270390","2021-11-06","18:56:09",""
"7129056","6.9026","0.00014","6.93126","0.00015","23.3243","0.0004","90","","90","","90","","1115.92","0.04","293","0.7","293","0.7","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Cl O2 -","- C13 H11 Cl O2 -","- C52 H44 Cl4 O8 -","4","1","","Zhang, Xiao-Yan; Shao, Ya-Ping; Guo, Bao-Kuan; Zhang, Kun; Zhang, Fu-Min; Zhang, Xiao-Ming; Tu, Yong-Qiang","Catalytic enantioselective synthesis of chiral spirocyclic 1,3-diketones <i>via</i> organo-cation catalysis.","Chemical communications (Cambridge, England)","2021","57","85","11233","11235","10.1039/d1cc05205e","","x-ray","1.54184","CuKα","","0.0363","0.0335","","","0.0862","0.0884","","","","","","1.075","","","","has coordinates","270384","2021-11-06","18:54:33",""
"7129059","7.8735","0.0003","13.6168","0.0005","24.1689","0.001","90","","90","","90","","2591.19","0.17","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H22 Br2 O3 -","- C32 H22 Br2 O3 -","- C128 H88 Br8 O12 -","4","1","","Jia, Shiqi; Chang, Yu; Tian, Yuhong; Mao, Hui; Qin, Wenling; Wang, Pengfei; Yan, Hailong","Organocatalytic cascade reactions for multi-functionalized chiral cyclic ethers through vinylidene <i>ortho</i>-quinone methides.","Chemical communications (Cambridge, England)","2021","57","86","11334","11337","10.1039/d1cc05340j","","x-ray","0.71073","MoKα","","0.0737","0.0421","","","0.067","0.0779","","","","","","1.049","","","","has coordinates","270350","2021-11-06","18:44:59",""
"7129068","10.0737","0.0012","19.301","0.002","23.277","0.003","90","","90","","90","","4525.8","0.9","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H62 N6 O2 Zn2 -","- C44 H62 N6 O2 Zn2 -","- C176 H248 N24 O8 Zn8 -","4","1","","Matsumoto, Arimasa; Tanaka, Ayame; Kaimori, Yoshiyasu; Hara, Natsuki; Mikata, Yuji; Soai, Kenso","Circular dichroism spectroscopy of catalyst preequilibrium in asymmetric autocatalysis of pyrimidyl alkanol.","Chemical communications (Cambridge, England)","2021","57","85","11209","11212","10.1039/d1cc04206h","","","0.71073","MoKα","","0.0506","0.0405","","","0.091","0.0948","","","","","","1.025","","","","has coordinates","270387","2021-11-06","18:54:59",""
"7129117","5.1221","0.0002","14.0899","0.0005","18.2239","0.0006","90","","90","","90","","1315.22","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 F N O3 -","- C14 H16 F N O3 -","- C56 H64 F4 N4 O12 -","4","1","","Zhou, Jianrong Steve; Guo, Siyu; Zhao, Xiaohu; Chi, Yonggui Robin","Nickel-catalyzed enantioselective umpolung hydrogenation for stereoselective synthesis of β-amido esters.","Chemical communications (Cambridge, England)","2021","57","87","11501","11504","10.1039/d1cc05257h","","","1.54178","CuKα","","0.0444","0.041","","","0.1062","0.1105","","","","","","1.062","","","","has coordinates","270396","2021-11-06","18:59:04",""
"7129119","8.9055","0.0009","9.481","0.0009","25.62","0.003","90","","90","","90","","2163.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 F3 N2 O2 -","- C25 H21 F3 N2 O2 -","- C100 H84 F12 N8 O8 -","4","1","","Alberca, Saul; Matador, Esteban; Iglesias-Sigüenza, Javier; Retamosa, Maria de Gracia; Fernández, Rosario; Lassaletta, Jose M.; Monge, David","Asymmetric cross-aldol reaction of α-keto hydrazones and α,β-unsaturated γ-keto hydrazones with trifluoromethyl ketones","Chemical Communications","2021","","","","","10.1039/D1CC05014A","","","1.54178","CuKα","","0.028","0.0259","","","0.0917","0.0955","","","","","","0.963","","","","has coordinates","269971","2021-10-15","21:57:41",""
"7129164","9.801","0.0001","13.7345","0.0001","14.0133","0.0001","90","","90","","90","","1886.36","0.03","100","2","99.95","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 B N3 O -","- C20 H30 B N3 O -","- C80 H120 B4 N12 O4 -","4","1","","Krempner, Clemens; Manankandayalage, Chamila; Unruh, Daniel K.","Carbon Monoxide Bond Cleavage Mediated by an Intramolecular Frustrated Lewis Pair: Access to New B/N Heterocycles via Selective Incorporation of Single Carbon Atoms","Chemical Communications","2021","","","","","10.1039/D1CC05673E","","","1.54178","CuKα","","0.0274","0.0271","","","0.0708","0.0711","","","","","","1.052","","","","has coordinates","270167","2021-10-29","21:58:46",""
"7129193","8.9929","0.0008","9.622","0.001","17.0576","0.0019","90","","90","","90","","1476","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O2 -","- C17 H18 N2 O2 -","- C68 H72 N8 O8 -","4","1","","Biswas, Subhamoy; Porashar, Bikoshita; Arandhara, Pallav Jyoti; Saikia, Anil K.","Synthesis of pyrimido[2,1-<i>a</i>]isoindolone and isoindolo[2,1-<i>a</i>]quinazolinone <i>via</i> intramolecular aza-Prins type reaction.","Chemical communications (Cambridge, England)","2021","57","88","11701","11704","10.1039/d1cc04554g","","","0.71073","MoKα","","0.0512","0.0426","","","0.1245","0.1334","","","","","","0.866","","","","has coordinates","270300","2021-11-04","14:10:01",""
"7129226","8.91306","0.00011","10.84345","0.00015","14.26741","0.00017","90","","90","","90","","1378.92","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Wang, Guan-Wu; Liu, Zhan; Yin, Zheng-Chun; Lu, Wen-Qiang; Zhou, Dian-Bing","Unexpected Diels-Alder reaction of [60]fullerene with electron-deficient ferrocenes as cyclopentadiene surrogates","Chemical Communications","2021","","","","","10.1039/D1CC05749A","","x-ray","1.54184","CuKα","","0.0341","0.0338","","","0.0874","0.0878","","","","","","1.057","","","","has coordinates","270599","2021-11-11","22:57:31",""
"7129261","8.0229","0.0005","22.4041","0.0014","24.5984","0.0016","90","","90","","90","","4421.5","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 K O10 -","- C36 H46 K O10 -","- C144 H184 K4 O40 -","4","1","","Cui, Haiyan; Wang, Liting; Ruan, Huapeng; Liu, Min; Feng, Zhongtao; Wang, Jie; Zhao, Yue; Wang, Xinping","Controlling the unpaired electron by electrostatic attraction in the solid state","Chemical Communications","2021","","","","","10.1039/D1CC05244F","","","0.71073","MoKα","","0.0664","0.0551","","","0.1542","0.1649","","","","","","1.025","","","","has coordinates,has disorder","270697","2021-11-16","23:01:23",""
"7129267","15.7006","0.0002","16.1755","0.0002","21.6748","0.0003","90","","90","","90","","5504.64","0.12","159","14","159","14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H40.5 Cd Cl2 N12 O8 -","- C54 H40.5 Cd Cl2 N12 O8 -","- C216 H162 Cd4 Cl8 N48 O32 -","4","1","","Jin, Guo-Xia; Wang, Teng; Yue, Tai-Xing; Wang, Xiaokang; Dai, Fangna; Wu, Xiang-Wen; Liu, Qi-Kui; Ma, Jian-ping","Cd-MOF: Specific adsorption selectivity for linear alkyne (propyne, 2-butyne and phenylacetylene) molecules","Chemical Communications","2021","","","","","10.1039/D1CC05316G","","x-ray","1.54184","CuKα","","0.0556","0.052","","","0.1517","0.1573","","","","","","1.067","","","","has coordinates,has disorder","270735","2021-11-17","22:57:00",""
"7129280","8.45794","0.00011","11.87783","0.00015","22.4725","0.0003","90","","90","","90","","2257.63","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N3 O3 S -","- C24 H25 N3 O3 S -","- C96 H100 N12 O12 S4 -","4","1","","Xiong, Wei; Jiang, Xuan; Zhang, Mao-Mao; Xiao, Wen-Jing; Lu, Liang-Qiu","A cooperative Pd/Co catalysis for the asymmetric (4+2) cycloaddition of vinyl benzoxazinones with N-acylpyrazoles","Chemical Communications","2021","","","","","10.1039/D1CC05952A","","x-ray","1.54184","CuKα","","0.0366","0.0358","","","0.0949","0.0964","","","","","","1.064","","","","has coordinates","270811","2021-11-22","22:57:12",""
"7129303","5.3663","0.0002","7.4309","0.0003","32.764","0.0014","90","","90","","90","","1306.51","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Acid-catalysed iterative generation of o-quinone methides for the synthesis of dioxabicyclo[3.3.1]nonanes: total synthesis of myristicyclins A–B","Chemical Communications","2021","","","","","10.1039/D1CC06146A","","","1.54184","CuKα","","0.0708","0.0534","","","0.1239","0.1347","","","","","","1.023","","","","has coordinates","270863","2021-11-24","23:02:38",""
"7129306","7.4157","0.0003","9.0593","0.0005","26.5028","0.0014","90","","90","","90","","1780.49","0.15","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O2.5 -","- C10 H12 O2.5 -","- C80 H96 O20 -","8","2","","Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.","Acid-catalysed iterative generation of o-quinone methides for the synthesis of dioxabicyclo[3.3.1]nonanes: total synthesis of myristicyclins A–B","Chemical Communications","2021","","","","","10.1039/D1CC06146A","","x-ray","0.71073","MoKα","","0.0478","0.0414","","","0.0961","0.1007","","","","","","1.036","","","","has coordinates","270863","2021-11-24","23:02:51",""
"7129310","14.8299","0.0005","17.7594","0.0006","23.7368","0.0008","90","","90","","90","","6251.6","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C39 H29 Al2 B F55 N O6 Si2 -","- C39 H29 Al2 B F55 N O6 Si2 -","- C156 H116 Al8 B4 F220 N4 O24 Si8 -","4","1","","Chen, Po-Han; Hsu, Ching-Pei; Tseng, Hsi-Ching; Liu, Yi-Hung; Chiu, Ching-Wen","[Mes-B-TMP]+ Borinium Cation Initiated Cyanosilylation and Catalysed Hydrosilylation of Ketones and Aldehydes","Chemical Communications","2021","","","","","10.1039/D1CC06319G","","","0.71073","MoKα","","0.0961","0.0766","","","0.2002","0.2183","","","","","","1.046","","","","has coordinates","270876","2021-11-25","22:57:21",""
"7129313","6.7361","0.0017","21.906","0.006","26.843","0.007","90","","90","","90","","3961","1.8","143","2","143","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-3-methyl-5-(trimethylsilyl)-2,3-dihydrobenzofuran-3-ol","","- C12 H18 O2 Si -","- C12 H18 O2 Si -","- C144 H216 O24 Si12 -","12","3","","Ohmura, Toshimichi; Kusaka, Satoshi; Suginome, Michinori","Iridium-Catalyzed Enantioselective Intramolecular Hydroarylation of Allylic Aryl Ethers Devoid of a Directing Group on the Aryl Group","Chemical Communications","2021","","","","","10.1039/D1CC05684K","","","0.71075","MoKα","","0.1287","0.0903","","","0.1317","0.1464","","","","","","1.141","","","","has coordinates","270878","2021-11-25","22:58:16",""
"7129341","9.9017","0.0005","16.1484","0.0009","17.2408","0.0009","90","","90","","90","","2756.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H31 Cl6 N6 Sb -","- C17 H31 Cl6 N6 Sb -","- C68 H124 Cl24 N24 Sb4 -","4","1","","Peng, Ying-Chen; Zhang, Zhi-Zhuan; Lin, Yang-Peng; Jin, Jian-Ce; Zhuang, Ting-Hui; Gong, Liao-Kuo; Wang, Ze-Ping; Du, Ke-Zhao; Huang, Xiao-Ying","A deep-red-emission antimony(iii) chloride with dual-cations: extremely large Stokes shift due to high [SbCl6] distortion","Chemical Communications","2021","","","","","10.1039/D1CC05648D","","","0.71073","MoKα","","0.0409","0.0362","","","0.0823","0.0865","","","","","","1.007","","","","has coordinates","271060","2021-12-03","22:55:05",""
"7129354","10.2732","0.0001","26.8858","0.0003","28.599","0.0003","90","","90","","90","","7899.14","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C94 H92 N4 O14 -","- C94 H92 N4 O14 -","- C376 H368 N16 O56 -","4","1","","Song, Zhiyi; Sato, Hiroyasu; Pietropaolo, Adriana; Wang, Qingyu; Shimoda, Shuhei; Dai, Heshuang; Imai, Yoshitane; Toda, Hayato; Harada, Takunori; Shichibu, Yukatsu; Konishi, Katsuaki; Bando, Masayoshi; Naga, Naofumi; Nakano, Tamaki","Aggregation-induced Chirality Amplification of Optically Active Fluorescent Polyurethane and Cyclic Dimer in the Ground and Excited States","Chemical Communications","2021","","","","","10.1039/D1CC05633F","","x-ray","1.54184","CuKα","","0.0871","0.0726","","","0.214","0.2313","","","","","","1.048","","","","has coordinates,has disorder","271272","2021-12-08","22:55:32",""
"7129367","9.1738","0.0002","11.5881","0.0002","18.4905","0.0004","90","","90","","90","","1965.67","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 O3 S -","- C25 H18 O3 S -","- C100 H72 O12 S4 -","4","1","","Yuan, Shu-Pei; Dou, Pei-Hao; Jia, Yun-Qing; Zhao, Jian-Qiang; You, Yong; Wang, Zhen-Hua; Zhou, Ming-Qiang; Yuan, Weicheng","Catalytic asymmetric aromatizing inverse electron-demand [4+2] cycloaddition of 1-thioaurones and 1-azaaurones","Chemical Communications","2021","","","","","10.1039/D1CC06357J","","x-ray","1.54184","CuKα","","0.0403","0.0373","","","0.0969","0.1001","","","","","","1.042","","","","has coordinates","271275","2021-12-08","23:00:43",""
"7129372","10.0721","0.0003","12.0638","0.0004","20.9044","0.0006","90","","90","","90","","2540.05","0.13","172","2","172","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N3 O3 -","- C31 H29 N3 O3 -","- C124 H116 N12 O12 -","4","1","","Ruan, Peiran; Tang, Qiong; Yang, Zun; Liu, Xiaohua; Feng, Xiaoming","Enantioselective formal [2+2+2] cycloaddition of 1,3,5-triazinanes to construct tetrahydropyrimidin-4-one derivatives","Chemical Communications","2021","","","","","10.1039/D1CC06549A","","","1.54178","CuKα","","0.0561","0.0485","","","0.1213","0.1303","","","","","","1.088","","","","has coordinates","271312","2021-12-09","22:56:20",""
"7129393","8.6715","0.0002","9.0287","0.0003","17.7211","0.0005","90","","90","","90","","1387.43","0.07","169","2","169","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","","Dong, Kaiwu; Wang, Guangzhu; Ren, Xinyi; Shen, Chaoren","Ni-catalyzed Enantioselective Reductive Arylcyanation/Cyclization of N-(2-iodo-aryl) Acrylamide","Chemical Communications","2022","","","","","10.1039/D1CC04996H","","x-ray","1.54184","CuKα","","0.0252","0.025","","","0.0625","0.0626","","","","","","1.067","","","","has coordinates","271479","2021-12-16","22:54:56",""
"7129417","8.055","0.004","10.096","0.006","11.687","0.005","90","","90","","90","","950.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Zhang, Xinyu; Wang, Dan; Lei, yunxiang; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Shen, Guomin; Huang, Xiaobo; Dong, Yuping","Selenium atoms induce organic doped system to produce pure phosphorescence emission","Chemical Communications","2022","","","","","10.1039/D1CC06380D","","","0.71073","MoKα","","0.0404","0.0342","","","0.0799","0.0845","","","","","","1.035","","","","has coordinates","271508","2021-12-17","22:58:01",""
"7129418","7.6504","0.0004","10.252","0.0005","11.9536","0.0005","90","","90","","90","","937.54","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 O S -","- C11 H8 O S -","- C44 H32 O4 S4 -","4","1","","Zhang, Xinyu; Wang, Dan; Lei, yunxiang; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Shen, Guomin; Huang, Xiaobo; Dong, Yuping","Selenium atoms induce organic doped system to produce pure phosphorescence emission","Chemical Communications","2022","","","","","10.1039/D1CC06380D","","","0.71073","MoKα","","0.0382","0.0337","","","0.0841","0.0879","","","","","","1.07","","","","has coordinates","271508","2021-12-17","22:58:01",""
"7129465","5.3032","0.0001","8.3138","0.0002","24.477","0.0007","90","","90","","90","","1079.18","0.05","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F O2 S -","- C13 H9 F O2 S -","- C52 H36 F4 O8 S4 -","4","1","","Dai, Yun; Meng, Wei; Feng, Xiangqing; Du, Haifeng","Chiral FLPs-Catalyzed Asymmetric Hydrogenation of 3-Fluorinated Chromones","Chemical Communications","2022","","","","","10.1039/D1CC06964K","","x-ray","0.71073","MoKα","","0.027","0.0257","","","0.0722","0.0729","","","","","","1.039","","","","has coordinates,has disorder","271619","2021-12-24","23:06:55",""
"7129505","10.0084","0.0005","11.0369","0.0006","13.369","0.0007","90","","90","","90","","1476.76","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","LM-no lo se_150K","","","- C17 H21 N3 O -","- C17 H21 N3 O -","- C68 H84 N12 O4 -","4","1","","Mollari, Leonardo; Valle-Amores, Miguel A.; Martínez-Gualda, Ana M.; Marzo, Leyre; Fraile, Alberto; Aleman, José","Asymmetric synthesis of cyclic β-amino carbonyl derivatives by a formal [3 + 2] photocycloaddition","Chemical Communications","2022","","","","","10.1039/D1CC05867C","","","0.71073","MoKα","","0.0447","0.0357","","","0.0858","0.0902","","","","","","1.033","","","","has coordinates","271812","2022-01-05","22:51:03",""
"7129521","6.5395","0.0002","9.9821","0.0003","14.8082","0.0005","90","","90","","90","","966.65","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H12 Cl3 Mn N O -","- C4 H12 Cl3 Mn N O -","- C16 H48 Cl12 Mn4 N4 O4 -","4","1","","Hua, Xiu-Ni; Zhang, Wan-Ying; Shi, Ping-Ping","Two-step nonlinear optical switch in a hydrogen-bonded perovskite-type crystal","Chemical Communications","2022","","","","","10.1039/D1CC06306E","","","0.71073","MoKα","","0.0145","0.014","","","0.0377","0.0379","","","","","","1.149","","","","has coordinates","271945","2022-01-07","22:53:24",""
"7129527","6.5851","0.0001","10.4477","0.0001","21.375","0.0002","90","","90","","90","","1470.58","0.03","293","2","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Cao, Haoying; Ma, Shanshan; Feng, Yanhong; Guo, Yawen; Jiao, Peng","Synthesis of β-Nitro Ketone from Geminal Bromonitroalkane and Silyl Enol Ether by Visible Light Photoredox Catalysis","Chemical Communications","2022","","","","","10.1039/D1CC06529G","","x-ray","1.54184","CuKα","","0.0278","0.0275","","","0.0739","0.0741","","","","","","1.038","","","","has coordinates","271974","2022-01-10","22:51:08",""
"7129537","13.7428","0.0005","20.2094","0.0008","26.5743","0.0013","90","","90","","90","","7380.6","0.5","190","0.1","190","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61 H88 Ag3 Cl2 Cu2 P S6 -","- C61 H88 Ag3 Cl2 Cu2 P S6 -","- C244 H352 Ag12 Cl8 Cu8 P4 S24 -","4","1","","He, Jiao; Deng, Cheng-Long; Sun, Cun-Fa; Zhang, Xiao-Xiao; Cui, Ying; Wu, Sheng-Hui; Luo, Geng-Geng","Controllable spontaneous resolution in ultrasmall Cu-Ag bimetallic cluster ion pairs from achiral components.","Chemical communications (Cambridge, England)","2022","58","10","1577","1580","10.1039/d1cc05135k","","x-ray","0.71073","MoKα","","0.0779","0.0586","","","0.1156","0.1254","","","","","","1.012","","","","has coordinates","272557","2022-02-04","19:04:11",""
"7129538","13.7242","0.0003","20.2084","0.0006","26.4773","0.0009","90","","90","","90","","7343.3","0.4","190","0.1","190","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C61 H88 Ag3 Cl2 Cu2 P S6 -","- C61 H88 Ag3 Cl2 Cu2 P S6 -","- C244 H352 Ag12 Cl8 Cu8 P4 S24 -","4","1","","He, Jiao; Deng, Cheng-Long; Sun, Cun-Fa; Zhang, Xiao-Xiao; Cui, Ying; Wu, Sheng-Hui; Luo, Geng-Geng","Controllable spontaneous resolution in ultrasmall Cu-Ag bimetallic cluster ion pairs from achiral components.","Chemical communications (Cambridge, England)","2022","58","10","1577","1580","10.1039/d1cc05135k","","x-ray","0.71073","MoKα","","0.0803","0.0532","","","0.12","0.1361","","","","","","0.993","","","","has coordinates","272557","2022-02-04","19:04:11",""
"7129558","3.91044","0.00013","19.7705","0.0008","21.0267","0.0007","90","","90","","90","","1625.6","0.1","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 N3 -","- C24 H15 N3 -","- C96 H60 N12 -","4","1","","Zhang, Huaxing; Guo, Qiang; Cheng, Hu; Ran, Chunhao; Wu, Di; Lan, Jingbo","An umpolung strategy for rapid access to thermally activated delayed fluorescence (TADF) materials based on phenazine","Chemical Communications","2022","","","","","10.1039/D1CC06705B","","x-ray","1.54184","CuKα","","0.0636","0.0601","","","0.1567","0.1637","","","","","","1.044","","","","has coordinates","272009","2022-01-12","22:59:36",""
"7129570","5.7494","0.0001","14.2576","0.0001","28.6021","0.0003","90","","90","","90","","2344.59","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O10 -","- C22 H27 N O10 -","- C88 H108 N4 O40 -","4","1","","Schaper, Gerrit; Wenzel, Marco; Schwarzenbolz, Uwe; Steup, Johannes; Hennersdorf, Felix; Henle, Thomas; Lindoy, Leonard F.; Weigand, Jan J.","Insights at the molecular level into the formation of oxo-bridged trinuclear uranyl complexes","Chemical Communications","2022","","","","","10.1039/D1CC06310C","","","1.54184","CuKα","","0.0444","0.0433","","","0.1154","0.1173","","","","","","1.048","","","","has coordinates","272041","2022-01-14","22:50:08",""
"7129571","12.8984","0.0001","21.5255","0.0003","42.4726","0.0004","90","","90","","90","","11792.3","0.2","100.03","0.1","100.03","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C102 H124 N4 O50 S5 U4 -","- C102 H124 N4 O50 S5 U4 -","- C408 H496 N16 O200 S20 U16 -","4","1","","Schaper, Gerrit; Wenzel, Marco; Schwarzenbolz, Uwe; Steup, Johannes; Hennersdorf, Felix; Henle, Thomas; Lindoy, Leonard F.; Weigand, Jan J.","Insights at the molecular level into the formation of oxo-bridged trinuclear uranyl complexes","Chemical Communications","2022","","","","","10.1039/D1CC06310C","","x-ray","1.54184","CuKα","","0.047","0.0422","","","0.108","0.1118","","","","","","1.04","","","","has coordinates,has disorder","272041","2022-01-14","22:50:10",""
"7129572","20.8958","0.0001","23.1386","0.0001","40.8871","0.0001","90","","90","","90","","19768.9","0.14","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C140 H148 N8 O60 U5 -","- C140 H148 N8 O60 U5 -","- C560 H592 N32 O240 U20 -","4","1","","Schaper, Gerrit; Wenzel, Marco; Schwarzenbolz, Uwe; Steup, Johannes; Hennersdorf, Felix; Henle, Thomas; Lindoy, Leonard F.; Weigand, Jan J.","Insights at the molecular level into the formation of oxo-bridged trinuclear uranyl complexes","Chemical Communications","2022","","","","","10.1039/D1CC06310C","","x-ray","1.54184","CuKα","","0.0353","0.0352","","","0.0916","0.0916","","","","","","1.055","","","","has coordinates","272041","2022-01-14","22:50:10",""
"7129580","5.928","0.0004","9.8602","0.0007","22.3535","0.0013","90","","90","","90","","1306.59","0.15","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Fe O S -","- C14 H18 Fe O S -","- C56 H72 Fe4 O4 S4 -","4","1","","Wen, Min; Erb, William; Mongin, Florence; Blot, Marielle; Roisnel, Thierry","Enantiopure ferrocene-1,2-disulfoxides: synthesis and reactivity","Chemical Communications","2022","","","","","10.1039/D1CC07085A","","x-ray","0.71073","MoKα","","0.0358","0.0347","","","0.0811","0.0816","","","","","","1.141","","","","has coordinates","272044","2022-01-14","22:53:34",""
"7129582","10.6604","0.0005","11.6304","0.0006","15.9593","0.0008","90","","90","","90","","1978.71","0.17","150","2","150","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Fe I O S Si -","- C17 H25 Fe I O S Si -","- C68 H100 Fe4 I4 O4 S4 Si4 -","4","1","","Wen, Min; Erb, William; Mongin, Florence; Blot, Marielle; Roisnel, Thierry","Enantiopure ferrocene-1,2-disulfoxides: synthesis and reactivity","Chemical Communications","2022","","","","","10.1039/D1CC07085A","","x-ray","0.71073","MoKα","","0.0273","0.0247","","","0.0525","0.0539","","","","","","0.917","","","","has coordinates","272044","2022-01-14","22:53:34",""
"7129588","4.8974","0.0001","10.1935","0.0003","32.6734","0.0011","90","","90","","90","","1631.11","0.08","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2R,3S)-3-(benzylamino)-1-phenylhex-5-en-2-ol","","","- C19 H23 N O -","- C19 H23 N O -","- C76 H92 N4 O4 -","4","1","","Pyne, Stephen G.; Chevis, Philip; Promchai, Thanika; Richardson, Christopher; Limtharakul, Thunwadee","Synthesis of syn- and enantioenriched anti--amino alcohols by highly diastereoselective borono-Mannich allylation reactions","Chemical Communications","2022","","","","","10.1039/D1CC06775C","","x-ray","0.71073","MoKα","","0.054","0.0395","","","0.0854","0.0914","","","","","","1.036","","","","has coordinates,has disorder","272107","2022-01-18","22:49:59",""
"7129612","7.6628","0.0002","9.6181","0.0002","15.2176","0.0003","90","","90","","90","","1121.56","0.04","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-oxTN-Br","(S)-2-bromo-4,5,6,7,8,9-hexahydrothieno[2,3-b]thionine S-oxide","","- C10 H13 Br O S2 -","- C10 H13 Br O S2 -","- C40 H52 Br4 O4 S8 -","4","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0187","0.0174","","","0.0379","0.0384","","","","","","1.073","","","","has coordinates","272225","2022-01-25","22:50:50",""
"7129618","7.6607","0.0001","9.6197","0.0002","15.2085","0.0003","90","","90","","90","","1120.77","0.04","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-oxTN-Br","(R)-2-bromo-4,5,6,7,8,9-hexahydrothieno[2,3-b]thionine S-oxide","","- C10 H13 Br O S2 -","- C10 H13 Br O S2 -","- C40 H52 Br4 O4 S8 -","4","1","","Hayakawa, Masahiro; Horike, Satoshi; Hijikata, Yuh; Yasui, Kosuke; Yamaguchi, Shigehiro; Fukazawa, Aiko","Late-Stage Modification of π-Electron Systems Based on Asymmetric Oxidation of a Medium-Sized Sulfur-Containing Ring","Chemical Communications","2022","","","","","10.1039/D1CC06996A","","","0.71073","MoKα","","0.0152","0.0146","","","0.0449","0.0452","","","","","","1.214","","","","has coordinates","272225","2022-01-25","22:50:51",""
"7129620","9.8692","0.0003","10.1814","0.0004","19.2471","0.0007","90","","90","","90","","1933.99","0.12","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C100 H80 N8 O8 -","4","1","","Wang, Meihui; Li, Bo; Gong, Baihui; Yao, Hequan; Lin, Aijun","Synthesis of Pyranopyrazoles with a Chiral Quaternary Carbon Stereocenter via Copper-catalyzed Enantioselective [3+3] Cycloaddition","Chemical Communications","2022","","","","","10.1039/D1CC07058D","","","1.54178","CuKα","","0.0406","0.0373","","","0.0887","0.0916","","","","","","1.059","","","","has coordinates","272252","2022-01-26","22:49:09",""
"7129692","7.4296","0.0003","7.9065","0.0003","27.5593","0.0012","90","","90","","90","","1618.89","0.11","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Chen, Yanyu; Wang, Zhaobo; Zhao, Wutong; Sun, Shitao; Yang, Lu; Zhang, Junpeng; Zhang, Di; Cheng, Mao-sheng; Lin, Bin; Liu, Yongxiang","Ag(I)/PPh3-Catalyzed Diastereoselective Syntheses of Spiro[indole-3,4'-piperidine] Derivatives via Cycloisomerizations of Tryptamine-Ynamides","Chemical Communications","2022","","","","","10.1039/D1CC07298F","","","1.54178","CuKα","","0.0251","0.0245","","","0.0619","0.0623","","","","","","1.096","","","","has coordinates","272886","2022-02-09","22:54:42",""
"7129723","11.76191","0.00004","13.60474","0.00005","16.49635","0.00006","90","","90","","90","","2639.71","0.016","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl4 N O3 -","- C28 H23 Cl4 N O3 -","- C112 H92 Cl16 N4 O12 -","4","1","","Cheng, Xiang; Shen, Chong; Dong, Xiu-Qin; Wang, Chun-Jiang","Iridium-catalyzed asymmetric double allylic alkylation of azlactone: efficient access to chiral α-amino acid derivatives","Chemical Communications","2022","","","","","10.1039/D2CC00328G","","x-ray","1.54184","CuKα","","0.0193","0.0193","","","0.0514","0.0514","","","","","","1.032","","","","has coordinates","273007","2022-02-17","22:54:28",""
"7129724","7.261","0.0002","16.8304","0.0006","18.689","0.0006","90","","90","","90","","2283.9","0.13","150","","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 B N O6 S -","- C21 H32 B N O6 S -","- C84 H128 B4 N4 O24 S4 -","4","1","","Xu, Ming; Ouyang, Yizhao; Wang, Linghua; Zhang, Shuai; Li, Pengfei","Enantioselective synthesis of cyclic α-aminoboronates via copper-catalyzed dearomative borylation of 4-quinolinols","Chemical Communications","2022","","","","","10.1039/D2CC00027J","","","1.54178","CuKα","","0.0239","0.0236","","","0.0595","0.0596","","","","","","1.048","","","","has coordinates","273008","2022-02-17","22:54:53",""
"7129742","8.1351","0.0004","10.7687","0.0006","20.8228","0.0011","90","","90","","90","","1824.17","0.17","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","DK_HD_1939","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","1","","Raziullah,; Kumar, Mohit; Ahmad, Ashfaq; Dutta, Himangsu Sekhar; Rastogi, Anushka; Gangwar, Manoj Kumar; Koley, Dipankar","Ru-Catalyzed C–H alkenylation on the arene ring of pirfenidone using pyridone as a directing group","Chemical Communications","2022","","","","","10.1039/D2CC00257D","","x-ray","0.71073","MoKα","","0.0439","0.0395","","","0.088","0.0916","","","","","","1.0493","","","","has coordinates","273111","2022-02-22","22:53:55",""
"7129757","8.797","0.003","12.158","0.004","19.362","0.007","90","","90","","90","","2070.8","1.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl2 N2 Ni O2 -","- C18 H22 Cl2 N2 Ni O2 -","- C72 H88 Cl8 N8 Ni4 O8 -","4","1","","Lombardi, Lorenzo; Cerveri, Alessandro; Ceccon, Leonardo; Pedrazzani, Riccardo; MONARI, MAGDA; Bertuzzi, Giulio; Bandini, Marco","Merging C-C -Bond Activation of Cyclobutanones with CO2 Fixation via Ni-Catalysis","Chemical Communications","2022","","","","","10.1039/D2CC00149G","","","0.71073","MoKα","","0.041","0.0379","","","0.0947","0.0968","","","","","","1.005","","","","has coordinates","273164","2022-02-25","22:53:00",""
"7129800","14.3008","0.0019","14.7881","0.0019","19.075","0.003","90","","90","","90","","4034","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 B F20 N -","- C44 H32 B F20 N -","- C176 H128 B4 F80 N4 -","4","1","","Li, Bin; Geoghegan, Blaise; Weinert, Hanns Micha; Wölper, Christoph; Cutsail III, George; Schulz, Stephan","Synthesis and redox activity of carbene-coordinated group 13 metal radicals","Chemical Communications","2022","","","","","10.1039/D2CC00216G","","","0.71073","MoKα","","0.0538","0.0411","","","0.0954","0.1031","","","","","","1.051","","","","has coordinates","273616","2022-03-10","22:58:42",""
"7129805","15.5472","0.0008","22.4944","0.0012","23.7093","0.0012","90","","90","","90","","8291.7","0.7","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C65 H57 Cl15 F22 Ir N4 O2 P3 -","- C65 H57 Cl15 F22 Ir N4 O2 P3 -","- C260 H228 Cl60 F88 Ir4 N16 O8 P12 -","4","1","","Li, Mingfeng; Chia, Xiu Li; Zhu, Ye","Tethered photocatalyst-directed palladium-catalysed C–H allenylation of N-aryl tetrahydroisoquinolines","Chemical Communications","2022","","","","","10.1039/D2CC01064J","","","0.71073","MoKα","","0.065","0.0539","","","0.1432","0.1556","","","","","","1.096","","","","has coordinates,has disorder","273618","2022-03-10","23:00:07",""
"7129810","4.4685","0.0003","13.4465","0.0008","19.5517","0.0011","90","","90","","90","","1174.78","0.12","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 N2 S2 Zn -","- C11 H10 N2 S2 Zn -","- C44 H40 N8 S8 Zn4 -","4","1","","Shlian, Daniel G.; Amemiya, Erika; Parkin, Gerard","Synthesis of bis(2-pyridylthio)methyl zinc hydride and catalytic hydrosilylation and hydroboration of CO2","Chemical Communications","2022","","","","","10.1039/D1CC06963B","","","0.71073","MoKα","","0.0328","0.0268","","","0.053","0.0551","","","","","","1.059","","","","has coordinates","273620","2022-03-10","23:02:20",""
"7129826","12.0118","0.0002","12.7811","0.0002","16.952","0.0003","90","","90","","90","","2602.54","0.08","302.76","0.1","302.76","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 N O2 S -","- C33 H27 N O2 S -","- C132 H108 N4 O8 S4 -","4","1","","Yang, Kai-Xuan; Ji, Dong-Sheng; Zheng, Haixue; Gu, Yucheng; Xu, Peng-Fei","Organocatalytic inverse-electron-demand Diels–Alder reaction between 5-alkenyl thiazolones and β,γ-unsaturated carbonyl compounds","Chemical Communications","2022","","","","","10.1039/D2CC00457G","","x-ray","1.54184","CuKα","","0.0397","0.0344","","","0.0867","0.0895","","","","","","1.007","","","","has coordinates","273680","2022-03-14","22:54:13",""
"7129827","11.983","0.0002","13.0537","0.0003","16.2653","0.0003","90","","90","","90","","2544.26","0.09","298.07","0.14","298.07","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H25 N O2 S -","- C32 H25 N O2 S -","- C128 H100 N4 O8 S4 -","4","1","","Yang, Kai-Xuan; Ji, Dong-Sheng; Zheng, Haixue; Gu, Yucheng; Xu, Peng-Fei","Organocatalytic inverse-electron-demand Diels–Alder reaction between 5-alkenyl thiazolones and β,γ-unsaturated carbonyl compounds","Chemical Communications","2022","","","","","10.1039/D2CC00457G","","x-ray","1.54184","CuKα","","0.0471","0.0374","","","0.0964","0.101","","","","","","1.042","","","","has coordinates","273680","2022-03-14","22:54:13",""
"7129869","9.04517","0.00012","24.0736","0.0003","36.4747","0.0005","90","","90","","90","","7942.36","0.18","100.01","0.1","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C99 H82 N6 O8 -","- C99 H82 N6 O8 -","- C396 H328 N24 O32 -","4","1","","Machalska, Ewa; Zając, Grzegorz; Baranska, Malgorzata; Bouř, Petr; Kaczorek, Dorota; Kawęcki, Robert; Rode, Joanna E.; Lyczko, Krzysztof; Dobrowolski, Jan Cz.","New chiral ECD-Raman spectroscopy of atropisomeric naphthalenediimides","Chemical Communications","2022","","","","","10.1039/D1CC06974H","","","1.54184","CuKα","","0.0637","0.0592","","","0.1684","0.1738","","","","","","1.046","","","","has coordinates","273814","2022-03-18","22:55:11",""
"7129871","9.03641","0.00008","24.18309","0.00019","36.1172","0.0004","90","","90","","90","","7892.63","0.13","100.01","0.1","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C99 H80 N4 O10 -","- C99 H80 N4 O10 -","- C396 H320 N16 O40 -","4","1","","Machalska, Ewa; Zając, Grzegorz; Baranska, Malgorzata; Bouř, Petr; Kaczorek, Dorota; Kawęcki, Robert; Rode, Joanna E.; Lyczko, Krzysztof; Dobrowolski, Jan Cz.","New chiral ECD-Raman spectroscopy of atropisomeric naphthalenediimides","Chemical Communications","2022","","","","","10.1039/D1CC06974H","","","1.54184","CuKα","","0.0653","0.0608","","","0.1746","0.1799","","","","","","1.04","","","","has coordinates","273814","2022-03-18","22:55:12",""
"7129877","8.4404","0.0007","13.221","0.0011","18.9283","0.0016","90","","90","","90","","2112.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 Cl N O6 -","- C24 Cl N O6 -","- C96 Cl4 N4 O24 -","4","1","","Yang, Xifa; Zhang, Jing Jing; Zhang, Mengying; Lu, Mingxin; He, Yuhao; Li, Song; fan, liangxin; Zhang, Xinle; Wu, Jia-Kai","Synthesis of Polycyclic Spiropyrans via Rh(III)-Catalyzed Twofold C-H Annulation of 3-aryl-2H-benzo[b][1,4]oxazines with Diazo Ketoesters","Chemical Communications","2022","","","","","10.1039/D2CC00916A","","","0.71073","MoKα","","0.0858","0.0658","","","0.1733","0.1862","","","","","","1.076","","","","has coordinates","273817","2022-03-18","22:57:23",""
"7129890","8.6297","0.0001","10.2148","0.0001","20.5342","0.0003","90","","90","","90","","1810.1","0.04","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-methyl 3-(naphthalen-2-yl)-3-((2S,3S)-2-nitro-2,3-dihydrobenzofuran-3-yl) propanoate","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","1","","Dyguda, Mateusz; Skrzynska, Anna; Sieroń, Lesław; Albrecht, Łukasz","Dearomative Michael addition involving enals and 2-nitrobenzofurans realized under NHC-catalysis","Chemical Communications","2022","","","","","10.1039/D2CC00294A","","x-ray","1.54184","CuKα","","0.0294","0.0291","","","0.0751","0.0754","","","","","","1.051","","","","has coordinates","274003","2022-03-25","22:53:40",""
"7129893","10.1782","0.0002","12.5203","0.0003","19.0389","0.0005","90","","90","","90","","2426.21","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O4 -","- C27 H38 O4 -","- C108 H152 O16 -","4","1","","Braddock, D. Christopher; Limpaitoon, Natnicha; Oliwa, Krzysztof; O'Reilly, Daniel; Rzepa, Henry S.; White, Andrew J. P.","A stereoselective hydride transfer reaction with contributions from attractive dispersion force control.","Chemical communications (Cambridge, England)","2022","","","","","10.1039/d2cc01136k","","","0.71073","MoKα","","0.0479","0.0384","","","0.0798","0.0846","","","","","","1.038","","","","has coordinates","274006","2022-03-25","22:55:02",""
"7129904","4.6945","0.0002","9.6477","0.0003","33.0272","0.0009","90","","90","","90","","1495.84","0.09","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 N O2 -","- C21 H15 N O2 -","- C84 H60 N4 O8 -","4","1","","Zhang, Yue; Lei, Bin; Zhang, Xin","Reversible, controllable white-light emission of dye systems by dynamic covalent furan moiety exchanges","Chemical Communications","2022","","","","","10.1039/D2CC01309F","","x-ray","0.71073","MoKα","","0.0584","0.0489","","","0.1178","0.1269","","","","","","1.038","","","","has coordinates","274130","2022-03-30","21:55:16",""
"7129906","7.0423","0.0014","8.8382","0.0013","17.048","0.003","90","","90","","90","","1061.1","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C48 H36 N4 O12 -","4","1","","Solanke, Pooja R.; Cinsani, Radhika; Nayani, Kiranmai; Mainkar, Prathama S.; Chandrasekhar, Srivari","Quaternary Carbon Construction through Piancatelli Rearrangement: Easy Access to Spirocyclopentenones","Chemical Communications","2022","","","","","10.1039/D2CC00050D","","","0.71073","MoKα","","0.0963","0.0636","","","0.126","0.1375","","","","","","1.117","","","","has coordinates","274131","2022-03-30","21:56:06",""
"7129932","7.764","0.003","15.357","0.005","18.436","0.006","90","","90","","90","","2198.2","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N3 O S -","- C25 H29 N3 O S -","- C100 H116 N12 O4 S4 -","4","1","","Tanaka, Katsumasa; Hattori, Hiroshi; Yabe, Ryota; Nishimura, Takahiro","Ir-catalyzed cyclization of α,ω-dienes with an N-methyl group via two C–H activation steps","Chemical Communications","2022","","","","","10.1039/D2CC01275H","","","0.710747","MoKα","","0.042","0.0367","","","0.0774","0.0802","","","","","","0.994","","","","has coordinates","274402","2022-04-06","21:54:12",""
"7129933","6.24","0.0003","7.3164","0.0004","17.7083","0.0008","90","","90","","90","","808.46","0.07","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 O2 S2 -","- C7 H8 O2 S2 -","- C28 H32 O8 S8 -","4","1","","Hardy, Craig A.; Kociok-Köhn, Gabriele; Buchard, Antoine","UV degradation of poly(lactic acid) materials through copolymerisation with a sugar-derived cyclic xanthate","Chemical Communications","2022","","","","","10.1039/D2CC01322C","","x-ray","0.71073","MoKα","","0.0382","0.0328","","","0.0673","0.0692","","","","","","1.094","","","","has coordinates","274403","2022-04-06","21:54:39",""
"7129934","7.21864","0.00013","10.512","0.0002","22.0152","0.0004","90","","90","","90","","1670.56","0.05","293.2","0.3","293.2","0.3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Chen, Chen; Yang, Xing-Xing; Zhao, Zhi; Han, Bo; Du, Wei; Chen, Ying-Chun","Asymmetric inverse-electron-demand 1,3-dipolar cycloadditions of cyclopentadienones and thiophene-1,1-dioxide with C,N-cyclic azomethine imines","Chemical Communications","2022","","","","","10.1039/D2CC01103D","","x-ray","1.54184","CuKα","","0.0687","0.0654","","","0.1571","0.1634","","","","","","1.058","","","","has coordinates","274431","2022-04-08","21:54:59",""
"7129972","9.4403","0.0009","12.498","0.0011","27.612","0.002","90","","90","","90","","3257.8","0.5","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 N4 O8 -","- C32 H35 N4 O8 -","- C128 H140 N16 O32 -","4","1","","Tian, Zhou; Jiang, Jing; Yan, Zhen-Hui; Luo, Qing-Qing; Zhan, Gu; Huang, Wei; Li, Xiang; Han, Bo","Catalytic asymmetric [3 + 2] cycloaddition of pyrazolone-derived MBH carbonate: highly stereoselective construction of the bispiro-[pyrazolone-dihydropyrrole-oxindole] skeleton.","Chemical communications (Cambridge, England)","2022","58","35","5363","5366","10.1039/d2cc00618a","","x-ray","0.71073","MoKα","","0.1031","0.0681","","","0.1637","0.1834","","","","","","1.028","","","","has coordinates,has disorder","274941","2022-05-05","20:18:53",""
"7129988","13.687","0.0002","15.3847","0.0003","16.7249","0.0003","90","","90","","90","","3521.77","0.11","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Au Cl6 D Ir N2 O2 P2 -","- C29 H35 Au Cl6 D Ir N2 O2 P2 -","- C116 H140 Au4 Cl24 D4 Ir4 N8 O8 P8 -","4","1","","Coles, Simon J.; Horton, Peter N.; Kimber, Patrick; Klooster, Wim T.; Liu, Pingchuan; Plasser, Felix; Smith, Martin B.; Tizzard, Graham J.","Reversible P–P bond cleavage at an iridium(iii) metal centre","Chemical Communications","2022","","","","","10.1039/D2CC00706A","","x-ray","0.71075","MoKα","K-L~3~","0.034","0.0294","","","0.0638","0.0656","","","","","","1.042","","","","has coordinates,has disorder","274579","2022-04-19","21:55:02",""
"7129989","13.061","0.0001","20.2888","0.0001","25.7121","0.0002","90","","90","","90","","6813.5","0.08","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C57 H74 Au2 Cl9 D Ir2 N4 O4 P4 -","- C57 H74 Au2 Cl9 D Ir2 N4 O4 P4 -","- C228 H296 Au8 Cl36 D4 Ir8 N16 O16 P16 -","4","1","","Coles, Simon J.; Horton, Peter N.; Kimber, Patrick; Klooster, Wim T.; Liu, Pingchuan; Plasser, Felix; Smith, Martin B.; Tizzard, Graham J.","Reversible P–P bond cleavage at an iridium(iii) metal centre","Chemical Communications","2022","","","","","10.1039/D2CC00706A","","x-ray","0.71073","MoKα","K-L~3~","0.0167","0.0164","","","0.0427","0.0428","","","","","","1.063","","","","has coordinates","274579","2022-04-19","21:55:03",""
"7130037","9.7165","0.0013","11.402","0.002","15.962","0.002","90","","90","","90","","1768.4","0.4","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 F3 N O -","- C22 H14 F3 N O -","- C88 H56 F12 N4 O4 -","4","1","","Liang, Ren-Xiao; Chen, Jian-Fei; Huang, Ying-Ying; Yu, Ya-Ping; Zhang, Han-Yue; Song, Yu-Feng; Tsui, Gavin Chit; Jia, Yi-Xia","Enantioselective Pd-Catalyzed Dearomative Reductive Heck and Domino Heck-Suzuki Reactions of 2-CF3-Indoles","Chemical Communications","2022","","","","","10.1039/D2CC01435A","","","1.54178","CuKα","","0.0292","0.029","","","0.0727","0.0729","","","","","","1.072","","","","has coordinates","274802","2022-05-02","22:05:47",""
"7130039","9.723","0.005","17.085","0.016","18.323","0.011","90","","90","","90","","3044","4","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 N3 O4 S -","- C35 H35 N3 O4 S -","- C140 H140 N12 O16 S4 -","4","1","","Wang, Wen-Tao; Zhang, Sen; Tao, Ling-Fei; Pan, Zi-Qi; Qian, Linghui; Liao, Jia-Yu","Cooperative catalysis-enabled C-N bond cleavage of biaryl lactams with activated isocyanides","Chemical Communications","2022","","","","","10.1039/D2CC01625G","","","0.71073","MoKα","","0.0517","0.0434","","","0.1","0.1058","","","","","","1.028","","","","has coordinates","274853","2022-05-03","21:53:19",""
"7130041","11.8054","0.0016","17.024","0.002","17.981","0.002","90","","90","","90","","3613.7","0.8","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 N4 O5 S -","- C42 H38 N4 O5 S -","- C168 H152 N16 O20 S4 -","4","1","","Wang, Wen-Tao; Zhang, Sen; Tao, Ling-Fei; Pan, Zi-Qi; Qian, Linghui; Liao, Jia-Yu","Cooperative catalysis-enabled C-N bond cleavage of biaryl lactams with activated isocyanides","Chemical Communications","2022","","","","","10.1039/D2CC01625G","","","0.71073","MoKα","","0.0513","0.0426","","","0.1002","0.1065","","","","","","1.04","","","","has coordinates,has disorder","274853","2022-05-03","21:53:20",""
"7130054","11.4033","0.0001","12.515","0.0001","16.4259","0.0001","90","","90","","90","","2344.18","0.03","99.9","0.5","99.9","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 N4 O6 -","- C24 H28 N4 O6 -","- C96 H112 N16 O24 -","4","1","","Li, Hang; Mirzayans, Paul; Butler, Mark Stuart; Lacey, Alastair E.; Vuong, Daniel; Chen, Rachel; Kalaitzis, John A.; Moggach, Stephen A.; Lacey, Ernest; Piggott, Andrew M.; Chooi, Yit-Heng","Discovery of brevijanazines from Aspergillus brevijanus reveals the molecular basis for p-nitrobenzoic acid in fungi","Chemical Communications","2022","","","","","10.1039/D2CC01679F","","x-ray","1.54184","CuKα","","0.0341","0.033","","","0.0845","0.0856","","","","","","1.057","","","","has coordinates","274894","2022-05-04","21:56:46",""
"7130062","9.0338","0.0004","12.58","0.0006","13.9834","0.0006","90","","90","","90","","1589.15","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Fang, Da-Shu; Deng, Jun; Zheng, Jianfeng; Li, Wei-Dong Z.","A Stereospecific Total Synthesis of dl-Hexahydroapoerysopine","Chemical Communications","2022","","","","","10.1039/D2CC01892F","","x-ray","0.71073","MoKα","","0.0642","0.0499","","","0.1052","0.1149","","","","","","1.106","","","","has coordinates","275081","2022-05-05","21:53:00",""
"7130073","10.8702","0.001","14.0428","0.0012","18.3564","0.0016","90","","90","","90","","2802.1","0.4","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 F4 N O2 Rh S -","- C29 H32 F4 N O2 Rh S -","- C116 H128 F16 N4 O8 Rh4 S4 -","4","1","","Trifonova, Evgeniya A.; Ankudinov, Nikita M.; Chusov, Denis; Nelyubina, Yulia V.; Perekalin, Dmitry S.","Asymmetric cyclopropanation of electron-rich alkenes by the racemic diene rhodium catalyst: the chiral poisoning approach","Chemical Communications","2022","","","","","10.1039/D2CC01648F","","","0.71073","MoKα","","0.0273","0.025","","","0.0615","0.0631","","","","","","1.039","","","","has coordinates","275372","2022-05-12","21:54:55",""
"7130082","6.7646","0.0001","16.0325","0.0003","19.2455","0.0003","90","","90","","90","","2087.24","0.06","193","2","193.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Br O4 -","- C24 H19 Br O4 -","- C96 H76 Br4 O16 -","4","1","","Wang, Yifeng; Wang, Chao-Jie; Feng, Qing-Zhou; Zhai, Jing-Jing; Qi, Suosuo; Zhong, Ai-Guo; Chu, Mingming; Xu, Dan-Qian","Copper-catalyzed asymmetric 1,6-conjugate addition of in situ generated para-quinone methides with β-ketoesters","Chemical Communications","2022","","","","","10.1039/D2CC00146B","","","1.34139","GaKα","","0.0255","0.0249","","","0.0632","0.0638","","","","","","1.072","","","","has coordinates","275375","2022-05-12","21:58:17",""
"7130083","9.142","0.0011","11.428","0.0015","22.267","0.0019","90","","90","","90","","2326.3","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Cl O5 -","- C25 H22 Cl O5 -","- C100 H88 Cl4 O20 -","4","1","","Wang, Yifeng; Wang, Chao-Jie; Feng, Qing-Zhou; Zhai, Jing-Jing; Qi, Suosuo; Zhong, Ai-Guo; Chu, Mingming; Xu, Dan-Qian","Copper-catalyzed asymmetric 1,6-conjugate addition of in situ generated para-quinone methides with β-ketoesters","Chemical Communications","2022","","","","","10.1039/D2CC00146B","","x-ray","1.54178","CuKα","","0.0985","0.069","","","0.1784","0.2075","","","","","","0.981","","","","has coordinates","275375","2022-05-12","21:58:18",""
"7130104","5.82822","0.00004","13.8137","0.00009","18.94391","0.00013","90","","90","","90","","1525.16","0.018","150.99","0.13","150.99","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","1","","Prieto, Liher; Rodríguez, Verónica; Vicario, Jose L.; Reyes, Efraim; Hornillos, Valentín","Enantioselective transannular reactions by palladium-catalysed conjugate addition of aryl boronic acids","Chemical Communications","2022","","","","","10.1039/D2CC01642G","","x-ray","1.54184","CuKα","","0.038","0.0358","","","0.0934","0.0957","","","","","","1.059","","","","has coordinates","275457","2022-05-16","21:57:05",""
"7130191","8.6225","0.0009","28.466","0.002","14.1674","0.0011","90","","90","","90","","3477.4","0.5","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 N2 O2 Zn -","- C46 H36 N2 O2 Zn -","- C184 H144 N8 O8 Zn4 -","4","1","","Ikeshita, Masahiro; Mizugaki, Momo; Ishikawa, Takahiro; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Sign control of circularly polarized luminescence of chiral Schiff-base Zn(II) complexes through coordination geometry changes","Chemical Communications","2022","","","","","10.1039/D2CC01959K","","x-ray","0.71073","MoKα","","0.3027","0.1377","","","0.1399","0.1828","","","","","","1.011","","","","has coordinates","275773","2022-06-03","21:54:12",""
"7130192","8.613","0.0005","14.1657","0.0008","28.4939","0.0015","90","","90","","90","","3476.5","0.3","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 N2 O2 Zn -","- C46 H36 N2 O2 Zn -","- C184 H144 N8 O8 Zn4 -","4","1","","Ikeshita, Masahiro; Mizugaki, Momo; Ishikawa, Takahiro; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Sign control of circularly polarized luminescence of chiral Schiff-base Zn(II) complexes through coordination geometry changes","Chemical Communications","2022","","","","","10.1039/D2CC01959K","","","0.71073","MoKα","","0.0696","0.0509","","","0.0908","0.0964","","","","","","1.0537","","","","has coordinates","275773","2022-06-03","21:54:12",""
"7130193","18.044","0.01","32.231","0.019","16.8","0.009","90","","90","","90","","9770","9","235","2","235","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C105 H87 Cl0 Co2 N7 O5 -","- C105 H87 Co2 N7 O5 -","- C420 H348 Co8 N28 O20 -","4","1","","Wang, Zhaolong; Gou, Xinyu; Wang, Gang; Chang, Xingmao; Liu, Ke; Liu, Taihong; He, Gang; Fang, Yu","A persistent radical anion derived from a propeller-shaped perylene bisimide-carbazole pentad","Chemical Communications","2022","","","","","10.1039/D2CC02042D","","","1.34139","GaKα","","0.2599","0.0911","","","0.2116","0.2967","","","","","","0.901","","","","has coordinates","275837","2022-06-06","21:54:19",""
"7130209","6.2148","0.0001","7.6293","0.0002","38.5427","0.0004","90","","90","","90","","1827.49","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 S2 Si0.25 -","- C22 H23 S Si -","- C88 H92 S4 Si4 -","4","1","","Mu, Delong; Pan, Shuqiong; Wang, Xiaoyu; Liao, Xiaoyun; Huang, Yong; Chen, Jiean","Enantioselective synthesis of acyclic monohydrosilanes by steric hindrance assisted C–H silylation","Chemical Communications","2022","","","","","10.1039/D2CC02307E","","","1.54184","CuKα","","0.0521","0.052","","","0.1481","0.1482","","","","","","1.087","","","","has coordinates","275926","2022-06-08","22:00:48",""
"7130212","10.688","0.001","13.5775","0.0014","17.3369","0.0018","90","","90","","90","","2515.9","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Au Cl4 N -","- C24 H24 Au Cl4 N -","- C96 H96 Au4 Cl16 N4 -","4","1","","Serrato, Melinda; Mohand, Melaimi; Bertrand, Guy","Cyclic (amino)(barrelene)carbenes: An original family of CAACs through a Novel Synthetic Pathway","Chemical Communications","2022","","","","","10.1039/D2CC02565E","","x-ray","0.71073","MoKα","K-L~3~","0.0208","0.0194","","","0.0445","0.045","","","","","","1.055","","","","has coordinates,has disorder","275941","2022-06-09","21:55:06",""
"7130214","10.6","0.0011","13.4559","0.0014","17.58","0.002","90","","90","","90","","2507.5","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl4 Cu N -","- C24 H24 Cl4 Cu N -","- C96 H96 Cl16 Cu4 N4 -","4","1","","Serrato, Melinda; Mohand, Melaimi; Bertrand, Guy","Cyclic (amino)(barrelene)carbenes: An original family of CAACs through a Novel Synthetic Pathway","Chemical Communications","2022","","","","","10.1039/D2CC02565E","","x-ray","0.71073","MoKα","K-L~3~","0.0305","0.0295","","","0.0829","0.0836","","","","","","1.077","","","","has coordinates","275941","2022-06-09","21:55:06",""
"7130215","9.8164","0.0007","10.6281","0.0008","21.1616","0.0015","90","","90","","90","","2207.8","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 N Se -","- C30 H31 N Se -","- C120 H124 N4 Se4 -","4","1","","Serrato, Melinda; Mohand, Melaimi; Bertrand, Guy","Cyclic (amino)(barrelene)carbenes: An original family of CAACs through a Novel Synthetic Pathway","Chemical Communications","2022","","","","","10.1039/D2CC02565E","","x-ray","0.71073","MoKα","","0.0231","0.0223","","","0.0586","0.0589","","","","","","1.047","","","","has coordinates","275941","2022-06-09","21:55:06",""
"7130219","10.953","0.0002","11.3417","0.0002","28.7781","0.0005","90","","90","","90","","3574.98","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H49 N O3 -","- C42 H49 N O3 -","- C168 H196 N4 O12 -","4","1","","Yu, Shaoze; Shen, Guosong; He, Faqian; Yang, Xiaoyu","Asymmetric synthesis of planar-chiral macrocycles via organocatalyzed enantioselective macrocyclization","Chemical Communications","2022","","","","","10.1039/D2CC01690G","","","1.54178","CuKα","","0.0286","0.0283","","","0.0738","0.0741","","","","","","1.06","","","","has coordinates","275943","2022-06-09","21:56:52",""
"7130275","17.233","0.003","6.965","0.002","18.586","0.004","90","0.03","90","0.03","90","0.03","2230.8","0.9","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ccgnme","","","- C82 H82 F6 N8 O12 S4 -","- C82 H82 F6 N8 O12 S4 -","- C82 H82 F6 N8 O12 S4 -","1","0.25","","Cristóbal, Christian; Gaviña, Daniel; Alonso, Inés; Ribagorda, María; Carretero, Juan C.; del Pozo, Carlos; Adrio, Javier","Catalytic enantioselective intramolecular 1,3-dipolar cycloaddition of azomethine ylides with fluorinated dipolarophiles","Chemical Communications","2022","","","","","10.1039/D2CC02902B","","","0.71073","MoKα","","0.1976","0.1674","","","0.4126","0.4383","","","","","","1.872","","","","has coordinates","276196","2022-06-23","21:56:53",""
"7130278","6.7461","0.0001","15.1159","0.0003","22.0277","0.0003","90","","90","","90","","2246.24","0.06","100","0.13","100","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 N4 O3 -","- C28 H20 N4 O3 -","- C112 H80 N16 O12 -","4","1","","Garai, Sumit; Ghosh, Krishna Gopal; Biswas, Ashik; Chowdhury, Sushobhan; Sureshkumar, Devarajulu","Diastereoselective palladium-catalyzed C(sp3)–H cyanomethylation of amino acid and carboxylic acid derivatives","Chemical Communications","2022","","","","","10.1039/D2CC03106J","","x-ray","1.54184","CuKα","","0.0361","0.0328","","","0.0837","0.0858","","","","","","1.042","","","","has coordinates","276197","2022-06-23","21:57:40",""
"7130287","10.3484","0.0002","10.5112","0.0002","16.0533","0.0003","90","","90","","90","","1746.18","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Han, Huabin; Wang, Lele; Niu, Xinyue; Li, Chaoyang; Xu, Yuanqing; Wang, Qilin","Diastereoselective construction of bridged piperidines through an interrupted dearomative reduction","Chemical Communications","2022","","","","","10.1039/D2CC02225G","","","1.54178","CuKα","","0.0323","0.0312","","","0.0967","0.0989","","","","","","0.862","","","","has coordinates","276293","2022-06-27","21:52:18",""
"7130294","8.1502","0.0011","15.359","0.002","17.032","0.002","90","","90","","90","","2132","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Au Cl N3 -","- C21 H27 Au Cl N3 -","- C84 H108 Au4 Cl4 N12 -","4","1","","Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco","Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes","Chemical Communications","2022","","","","","10.1039/D2CC02303B","","","0.71073","MoKα","","0.0467","0.0412","","","0.0901","0.0925","","","","","","1.117","","","","has coordinates","276368","2022-06-28","21:54:23",""
"7130297","9.8777","0.0007","13.2885","0.001","19.8719","0.0014","90","","90","","90","","2608.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 Au Cl N2 O2 -","- C26 H34 Au Cl N2 O2 -","- C104 H136 Au4 Cl4 N8 O8 -","4","1","","Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco","Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes","Chemical Communications","2022","","","","","10.1039/D2CC02303B","","","0.71073","MoKα","","0.04","0.0388","","","0.0997","0.1004","","","","","","0.766","","","","has coordinates","276368","2022-06-28","21:54:23",""
"7130298","10.118","0.0014","12.94","0.0018","19.485","0.003","90","","90","","90","","2551.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 Au Cl N2 O -","- C25 H34 Au Cl N2 O -","- C100 H136 Au4 Cl4 N8 O4 -","4","1","","Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco","Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes","Chemical Communications","2022","","","","","10.1039/D2CC02303B","","","0.71073","MoKα","","0.0202","0.02","","","0.0535","0.0537","","","","","","1.028","","","","has coordinates","276368","2022-06-28","21:54:24",""
"7130300","12.7402","0.0008","13.7979","0.0008","16.0681","0.0009","90","","90","","90","","2824.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 Au Cl N2 O -","- C31 H40 Au Cl N2 O -","- C124 H160 Au4 Cl4 N8 O4 -","4","1","","Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco","Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes","Chemical Communications","2022","","","","","10.1039/D2CC02303B","","","0.71073","MoKα","","0.0176","0.0169","","","0.0384","0.0385","","","","","","1.024","","","","has coordinates","276368","2022-06-28","21:54:24",""
"7130318","7.8248","0.0005","7.9556","0.0004","20.968","0.0011","90","","90","","90","","1305.28","0.13","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R-mandelic acid , L-proline (1:1)","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C52 H68 N4 O20 -","4","1","","Zhou, Fuli; Collard, Laurent; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","L-proline, a resolution agent able to target both enantiomers of mandelic acid: an exciting case of stoichiometry controlled chiral resolution.","Chemical Communications","2022","","","","","10.1039/D2CC02942A","","","0.71073","MoKα","","0.0535","0.0444","","","0.1134","0.1205","","","","","","1.092","","","","has coordinates","276572","2022-07-05","21:52:16",""
"7130406","8.087","0.002","11.905","0.003","28.081","0.007","90","","90","","90","","2703.5","1.2","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H22 F6 N3 P -","- C31 H22 F6 N3 P -","- C124 H88 F24 N12 P4 -","4","1","","Xu, Chao; Zhang, Zhensheng; Liu, Tao; Zhang, Wangqin; Zhong, Weihui; Ling, Fei","Hydrogen Evolution Enabled Rhodaelectro-Catalyzed [4+2] Annulations of Purines and 7-Deazapurines with Alkynes","Chemical Communications","2022","","","","","10.1039/D2CC03625H","","x-ray","0.71073","MoKα","","0.1526","0.1275","","","0.3305","0.3474","","","","","","1.171","","","","has coordinates","276943","2022-07-26","21:53:26",""
"7130431","9.508","0.0005","12.3736","0.0006","20.7192","0.0011","90","","90","","90","","2437.6","0.2","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H19 Br N3 O4 -","- C28 H19 Br N2 O4 -","- C112 H76 Br4 N8 O16 -","4","1","","Wang, Baomin; Wei, Xingfu; Huang, Yue; Wang, Wenyao; Wei, Shiqiang; Qu, Jingping","Asymmetric [3 + 2] spiroannulation of pyrazolone-derived Morita–Baylis–Hillman carbonates with alkynyl ketones: facile access to spiro[cyclopentadiene-pyrazolone] scaffolds","Chemical Communications","2022","","","","","10.1039/D2CC02963D","","","0.71073","MoKα","","0.0963","0.0581","","","0.1227","0.1405","","","","","","1.096","","","","has coordinates","276977","2022-07-28","21:52:44",""
"7130439","7.0573","0.0007","18.127","0.002","33.894","0.004","90","","90","","90","","4336","0.8","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Br Cl O2 -","- C26 H22 Br Cl O2 -","- C208 H176 Br8 Cl8 O16 -","8","2","","Wang, Biao; Zhong, Han; Tian, Xu","KOtBu-promoted Michael/aldol/ring-opening cascade reaction of cyclobutanones with chalcones","Chemical Communications","2022","","","","","10.1039/D2CC03007A","","","0.71073","MoKα","","0.0802","0.0418","","","0.0811","0.1079","","","","","","0.975","","","","has coordinates","276983","2022-07-28","21:55:39",""
"7130440","6.4789","0.0005","18.2766","0.0013","22.8772","0.0016","90","","90","","90","","2708.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Xia, Tingting; Xi, Yang; Ding, Haojie; Zhang, Yetong; Fang, Ke; Wu, Xianqing; Qu, Jingping; Chen, Yifeng","Palladium(ii)-catalyzed enantioselective intermolecular oxidative diarylation of internal enamides","Chemical Communications","2022","","","","","10.1039/D2CC03202C","","","1.54178","CuKα","","0.0689","0.0539","","","0.1366","0.1504","","","","","","1.04","","","","has coordinates,has disorder","276996","2022-07-29","21:49:48",""
"7130477","5.36177","0.00004","8.07141","0.00005","25.18846","0.00016","90","","90","","90","","1090.08","0.013","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DDH","3,4-diaminofurazan-3,4-dinitro-1H-pyrazole-hydrate","","- C5 H8 N8 O6 -","- C5 H8 N8 O6 -","- C20 H32 N32 O24 -","4","1","","Bellas, Michael K.; Matzger, Adam J.","Peroxosolvate discovery method leads to first cocrystal with three energetic components.","Chemical communications (Cambridge, England)","2022","58","63","8806","8809","10.1039/d2cc02024f","","","1.54184","CuKα","","0.0323","0.0315","","","0.0897","0.0904","","","","","","1.079","","","","has coordinates","277070","2022-08-04","21:54:44",""
"7130498","12.039","0.002","18.483","0.003","22.273","0.004","90","","90","","90","","4956.1","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N O5 -","- C30 H27 N O5 -","- C240 H216 N8 O40 -","8","2","","Settipalli, Poorna Chandrasekhar; Shaik, Anwar","A Triple Cascade Approach Towards Diastereoselective Synthesis of Spiro trans-decalinol Scaffolds","Chemical Communications","2022","","","","","10.1039/D2CC03562F","","","0.71073","MoKα","","0.0836","0.0543","","","0.0989","0.11","","","","","","1.005","","","","has coordinates","277155","2022-08-08","22:12:11",""
"7130505","10.476","0.0005","14.1768","0.0007","14.4461","0.0007","90","","90","","90","","2145.48","0.18","120","2","120","2","","","","","","","synthesized by the authors","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl2 F N O4 S -","- C23 H16 Cl2 F N O4 S -","- C92 H64 Cl8 F4 N4 O16 S4 -","4","1","","Bhosale, Viraj; Cisarova, Ivana; Kamlar, Martin; Vesely, Jan","Catalytic Asymmetric Addition to Cyclic N-Acyl-iminium: Access to Sulfone Bearing Contiguous Quaternary Stereocenters","Chemical Communications","2022","","","","","10.1039/D2CC02667H","","","0.71073","MoKα","","0.0203","0.0202","","","0.0566","0.0567","","","","","","1.12","","","","has coordinates","277172","2022-08-09","21:46:30",""
"7130539","7.831","0.0016","8.275","0.0017","22.589","0.005","90","","90","","90","","1463.8","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O3 S -","- C14 H21 N O3 S -","- C56 H84 N4 O12 S4 -","4","1","","Soltau, Carl P.; Brown, Zachary; Brock, Aidan J.; Martyn, Alexander P.; Blinco, James P.; Miljevic, Branka; McMurtrie, John C.; Bottle, Steven E.","Reactions of Sulfoxides with Reactive Oxygen Species to Reveal the Radical Chemistry of Pollution-Derived Particulate Matter","Chemical Communications","2022","","","","","10.1039/D2CC04024G","","","0.71073","Synchrotron","","0.0337","0.0335","","","0.0893","0.0895","","","","","","1.06","","","","has coordinates","277282","2022-08-17","21:56:32",""
"7130604","5.1547","0.0003","8.9527","0.0005","27.1544","0.0014","90","","90","","90","","1253.13","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","10","","- C13 H14 Br N O -","- C13 H14 Br N O -","- C52 H56 Br4 N4 O4 -","4","1","","Liu, Chang-Hong; Guo, Jiangming; Li, Xin; Sun, Jianting; Wei, Bangguo; Si, Chang-Mei","SmI2‑Mediated Intermolecular Addition-Elimination of Piperidine and Pyrrolidine N-α-Radicals with Arylacetylene Sulfones","Chemical Communications","2022","","","","","10.1039/D2CC03984B","","","0.71073","MoKα","","0.0609","0.0389","","","0.0896","0.0997","","","","","","1.046","","","","has coordinates","277411","2022-08-26","22:16:47",""
"7130626","11.7964","0.0002","12.7829","0.0002","16.2814","0.0003","90","","90","","90","","2455.11","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N O7 -","- C29 H23 N O7 -","- C116 H92 N4 O28 -","4","1","","Li, Ning; Lu, Wenjing; Gu, Weizhi; Li, Kuiliang; Li, Jindong; Lu, Yangmian; Zha, Zhenggen; Wang, Zhiyong","Construction of spirocyclic oxindole derivatives by copper-catalyzed enantioselective Michael/hemiketalization in aqueous media.","Chemical communications (Cambridge, England)","2022","58","78","10957","10960","10.1039/d2cc04370j","","x-ray","1.54184","CuKα","","0.0555","0.045","","","0.1112","0.1194","","","","","","1.067","","","","has coordinates","278403","2022-10-07","00:43:11",""
"7130630","6.2935","0.0003","11.7191","0.0005","15.8519","0.0007","90","","90","","90","","1169.14","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 N10 O6 -","- C6 H6 N10 O6 -","- C24 H24 N40 O24 -","4","1","","Xiong, Jin; Cai, Jinxiong; Lai, Qi; Yin, Ping; Pang, Siping","Asymmetric assembly of pyrazole and 1,2,3-triazole with a methylene bridge: regioisomerism and energetic properties","Chemical Communications","2022","","","","","10.1039/D2CC02412H","","","0.71073","MoKα","","0.0583","0.0392","","","0.0835","0.0945","","","","","","1.045","","","","has coordinates","277600","2022-09-02","21:54:26",""
"7130631","6.274","0.0004","11.6263","0.0007","15.694","0.0009","90","","90","","90","","1144.77","0.12","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 N10 O6 -","- C6 H6 N10 O6 -","- C24 H24 N40 O24 -","4","1","","Xiong, Jin; Cai, Jinxiong; Lai, Qi; Yin, Ping; Pang, Siping","Asymmetric assembly of pyrazole and 1,2,3-triazole with a methylene bridge: regioisomerism and energetic properties","Chemical Communications","2022","","","","","10.1039/D2CC02412H","","","0.71073","MoKα","","0.0711","0.0435","","","0.0845","0.0975","","","","","","1.075","","","","has coordinates","277600","2022-09-02","21:54:26",""
"7130652","6.9728","0.0005","16.9243","0.0013","21.2573","0.0015","90","","90","","90","","2508.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N2 O4 V -","- C28 H31 N2 O4 V -","- C112 H124 N8 O16 V4 -","4","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.0877","0.0616","","","0.1505","0.1684","","","","","","0.931","","","","has coordinates","277619","2022-09-05","02:31:05",""
"7130655","8.3617","0.0012","9.8925","0.0016","25.026","0.004","90","","90","","90","","2070.1","0.6","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N O4 V -","- C21 H26 N O4 V -","- C84 H104 N4 O16 V4 -","4","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.0743","0.0448","","","0.1044","0.1263","","","","","","1.163","","","","has coordinates","277619","2022-09-05","02:31:32",""
"7130657","8.4626","0.0005","11.4719","0.0007","22.4492","0.0015","90","","90","","90","","2179.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N2 O4 V -","- C23 H29 N2 O4 V -","- C92 H116 N8 O16 V4 -","4","1","","Debnath, Snehasish; Chatterjee, Pabitra B.","Enantiopure chiroptical probes for circular dichroism and absorbance based detection of nerve gas simulants.","Chemical communications (Cambridge, England)","2022","58","64","9006","9009","10.1039/d2cc03392e","","","0.71073","MoKα","","0.0307","0.026","","","0.0634","0.0665","","","","","","1.06","","","","has coordinates","277619","2022-09-05","02:31:51",""
"7130769","7.4616","0.0011","8.6131","0.0013","21.565","0.003","90","","90","","90","","1385.9","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","1","","Rkein, Batoul; Coffinier, Romain; Powderly, Marian; Manneveau, Maxime; Sanselme, Morgane; Durandetti, Muriel; Sebban, Muriel; Hamdoun, Ghanem; Oulyadi, Hassan; Harrowven, David; Legros, Julien; Chataigner, Isabelle","High Pressure promoted Dearomatization of Nitroarenes by [4+2] Cycloadditions with Silyloxydienes","Chemical Communications","2022","","","","","10.1039/D2CC04778K","","x-ray","0.71073","MoKα","","0.057","0.0505","","","0.1265","0.1317","","","","","","1.006","","","","has coordinates","278195","2022-09-26","21:53:44",""
"7130771","10.0454","0.0012","10.7142","0.0012","12.3095","0.0014","90","","90","","90","","1324.9","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 F N2 O4 -","- C14 H13 F N2 O4 -","- C56 H52 F4 N8 O16 -","4","1","","Rkein, Batoul; Coffinier, Romain; Powderly, Marian; Manneveau, Maxime; Sanselme, Morgane; Durandetti, Muriel; Sebban, Muriel; Hamdoun, Ghanem; Oulyadi, Hassan; Harrowven, David; Legros, Julien; Chataigner, Isabelle","High Pressure promoted Dearomatization of Nitroarenes by [4+2] Cycloadditions with Silyloxydienes","Chemical Communications","2022","","","","","10.1039/D2CC04778K","","x-ray","0.71073","MoKα","","0.0487","0.0398","","","0.0926","0.0968","","","","","","0.998","","","","has coordinates","278195","2022-09-26","21:53:44",""
"7130781","12.798","0.003","12.949","0.003","24.832","0.005","90","","90","","90","","4115.2","1.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H42 Cl2 N2 P2 Ru -","- C48 H42 Cl2 N2 P2 Ru -","- C192 H168 Cl8 N8 P8 Ru4 -","4","1","","Cena, Nicolas; Peloquin, Andrew J.; Boatz, Jerry A.; Costa, Sarah; Gralinski, Steven R.; Balch, Alan L.; Ghiassi, Kamran B.","Metal-mediated rearrangement of 1,2-diphenylhydrazine to ortho-semidine upon reaction with dichlorotris(triphenylphosphine)ruthenium(ii)","Chemical Communications","2022","","","","","10.1039/D2CC04500A","","","0.71073","MoKα","","0.044","0.0358","","","0.0739","0.0781","","","","","","1.045","","","","has coordinates","278266","2022-09-29","21:54:37",""
"7130804","12.5776","0.0004","14.1333","0.0004","18.1953","0.0006","90","","90","","90","","3234.45","0.17","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H53 Au Cl N6 P Si -","- C26 H53 Au Cl N6 P Si -","- C104 H212 Au4 Cl4 N24 P4 Si4 -","4","1","","Löwe, Pawel; Dielmann, Fabian","Crystalline phosphino(silyl)carbenes that readily form transition metal complexes","Chemical Communications","2022","","","","","10.1039/D2CC04321A","","","0.71073","MoKα","","0.0413","0.0355","","","0.082","0.0845","","","","","","1.121","","","","has coordinates","278336","2022-10-04","21:59:08",""
"7130810","8.9971","0.0009","12.0737","0.0012","26.66","0.003","90","","90","","90","","2896","0.5","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 Cl N2 O2 Ru -","- C27 H35 Cl N2 O2 Ru -","- C108 H140 Cl4 N8 O8 Ru4 -","4","1","","Thongpaen, Jompol; Manguin, Romane; Kittikool, Tanakorn; Camy, Aurèle; Roisnel, Thierry; Dorcet, Vincent; Yotphan, Sirilata; Canac, Yves; Mauduit, Marc; Baslé, Olivier","Ruthenium-NHC complex-catalyzed P(III)-directed C-H borylation of arylphosphines.","Chemical communications (Cambridge, England)","2022","58","86","12082","12085","10.1039/d2cc03909e","","x-ray","0.71073","MoKα","","0.0547","0.0536","","","0.1256","0.1262","","","","","","1.172","","","","has coordinates","278964","2022-11-07","05:08:21",""
"7130817","10.2011","0.0018","12.202","0.002","16.775","0.003","90","","90","","90","","2088","0.6","77","2","77","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 F3 N3 O7 S -","- C16 H22 F3 N3 O7 S -","- C64 H88 F12 N12 O28 S4 -","4","1","","Fiorentino, Antonio; Sachini, Brian; Corra, Stefano; Credi, Alberto; Femoni, Cristina; Fraix, Aurore; Silvi, Serena","Acidochromism of donor-acceptor Stenhouse adducts in organic solvent.","Chemical communications (Cambridge, England)","2022","58","80","11236","11239","10.1039/d2cc03761k","","","0.71073","MoKα","","0.1886","0.1399","","","0.2854","0.3109","","","","","","1.214","","","","has coordinates,has disorder","278381","2022-10-06","21:54:22",""
"7130819","7.7561","0.0002","12.2662","0.0003","18.2643","0.0006","90","","90","","90","","1737.63","0.08","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Fe I N O4 S -","- C16 H12 Fe I N O4 S -","- C64 H48 Fe4 I4 N4 O16 S4 -","4","1","","Song, Li-Cheng; Zhang, Zhen-Qing; Liu, Bei-Bei; Wang, Yin-Peng; Chen, Shuai","Biomimetic Models of [Fe]-Hydrogenase Featuring a 2-Acylphenylthiomethyl-6-R-pyridine (R = H or OMe) Ligand","Chemical Communications","2022","","","","","10.1039/D2CC04523K","","","0.71073","MoKα","","0.0365","0.0337","","","0.0812","0.0839","","","","","","1.07","","","","has coordinates","278382","2022-10-06","21:55:15",""
"7130833","10.45953","0.00019","13.5092","0.0003","19.3396","0.0004","90","","90","","90","","2732.68","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 N O3 P -","- C31 H32 N O3 P -","- C124 H128 N4 O12 P4 -","4","1","","Jia, Yun-Qing; Zhao, Jian-Qiang; Wang, Zhen-Hua; You, Yong; Zhang, Yan-Ping; Jin, Xin; Zhou, Ming-Qiang; Ge, Zhen-Zhen; Yuan, Wei-Cheng","Catalytic enantioselective hydrophosphinylation of <i>in situ</i>-generated indole-derived vinylogous imines to access 3-(1-diphenylphosphoryl-arylmethyl)indoles.","Chemical communications (Cambridge, England)","2022","58","86","12062","12065","10.1039/d2cc04763b","","x-ray","1.54184","CuKα","","0.042","0.0391","","","0.1048","0.1077","","","","","","1.032","","","","has coordinates","278961","2022-11-07","05:07:00",""
"7130844","10.6765","0.0001","21.5837","0.0003","24.0601","0.0003","90","","90","","90","","5544.37","0.12","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 Al Cl5 F12 N8 O6 -","- C40 H30 Al Cl5 F12 N8 O6 -","- C160 H120 Al4 Cl20 F48 N32 O24 -","4","1","","Matsumoto, Shota; Umeno, Tomohiro; Suzuki, Noriko; Usui, Kazuteru; Kawahata, Masatoshi; Karasawa, Satoru","Chelate-Free “Turn-ON”-Type Fluorescence Detection of Trivalent Metal Ions","Chemical Communications","2022","","","","","10.1039/D2CC04815A","","","1.54184","CuKα","","0.1387","0.127","","","0.3682","0.3879","","","","","","1.676","","","","has coordinates,has disorder","278525","2022-10-11","21:57:41",""
"7130876","4.6828","0.0003","13.6599","0.0007","19.3081","0.0012","90","","90","","90","","1235.07","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 Br N S -","- C13 H8 Br N S -","- C52 H32 Br4 N4 S4 -","4","1","","Ye, Dong-Nai; Zhang, Yujie; Xing, Yu-Qin; Tan, Zhi-Rong; Chen, Zhengwang; Qiu, Jia-Bin; Liu, Shi-Yong","Tunable cyano substituents in D-A conjugated polymers accessed via direct arylation for photocatalytic hydrogen production","Chemical Communications","2022","","","","","10.1039/D2CC04625C","","","0.71073","MoKα","","0.1685","0.0982","","","0.1462","0.1681","","","","","","1.09","","","","has coordinates","278629","2022-10-18","22:00:25",""
"7130905","7.8446","0.0002","15.3529","0.0004","18.7689","0.0005","90","","90","","90","","2260.48","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 N2 O4 S2 -","- C24 H28 N2 O4 S2 -","- C96 H112 N8 O16 S8 -","4","1","","Hsieh, Chang-Chih; Li, Cheng-Yao; Chiang, Ming-Hsi; Horng, Yih-Chern","Catalytic O2 Activation toward Oxidative N-S Bond Formation by a Thiolato Fe(III) Complex","Chemical Communications","2022","","","","","10.1039/D2CC05375F","","","0.71073","MoKα","","0.0553","0.0441","","","0.1182","0.1277","","","","","","0.898","","","","has coordinates,has disorder","278817","2022-10-26","22:14:29",""
"7130927","8.9059","0.0002","13.4075","0.0004","37.5682","0.001","90","","90","","90","","4485.9","0.2","300","","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H16 F2 N4 O2 -","- C28 H16 F2 N4 O2 -","- C224 H128 F16 N32 O16 -","8","2","","Pu, Liang-Yuan; Zhang, Yu-Jiao; Liu, Wei; Teng, Fan","Chiral phosphoric acid-catalyzed dual ring formation for enantioselective construction of N–N axially chiral 3,3’-bisquinazolinones","Chemical Communications","2022","","","","","10.1039/D2CC05172A","","x-ray","1.54178","CuKα","","0.0297","0.0293","","","0.0764","0.0769","","","","","","1.082","","","","has coordinates,has disorder","278835","2022-10-27","21:55:06",""
"7130937","11.238","0.002","13.188","0.003","30.929","0.006","90","","90","","90","","4583.9","1.6","80.15","","80.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","SMTP-7D","(S)-2,5-bis((2R,3S)-2-((E)-4,8-dimethylnona-3,7-dien-1-yl)-3,5-dihydroxy-2-methyl-7-oxo-3,4,7,9-tetrahydropyrano[2,3-e]isoindol-8(2H)-yl)pentanoic acid","","- C51 H68 N2 O10 -","- C51 H68 N2 O10 -","- C204 H272 N8 O40 -","4","1","","Wang, Bo; Lin, Yiqing","Absolute configuration determination of SMTP-7 via microcrystal electron diffraction (MicroED)","Chemical Communications","2022","","","","","10.1039/D2CC05218K","","electron","0.02501","electron","","0.188","0.1454","","","0.3458","0.3675","","","","","","1.206","","","","has coordinates","278864","2022-10-29","08:09:14",""
"7130950","8.1465","0.0003","8.8611","0.0003","38.0503","0.0012","90","","90","","90","","2746.74","0.16","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl4 N O10 -","- C23 H23 Cl4 N O10 -","- C92 H92 Cl16 N4 O40 -","4","1","","Sun, Yuanjun; Tang, Wenhao; Ni, Huxin; Wang, Mei; Huang, Bin; Long, Yaqiu","Convergent Synthesis of Tetrahydropyranyl Side Chain of Verucopeptin, an Antitumor Antibiotic Active against Multidrug-resistant Cancers","Chemical Communications","2022","","","","","10.1039/D2CC04529J","","","1.54178","CuKα","","0.0963","0.0753","","","0.1614","0.1782","","","","","","1.137","","","","has coordinates","278928","2022-11-03","22:57:30",""
"7130961","10.0145","0.001","14.1044","0.0013","16.1893","0.0013","90","","90","","90","","2286.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 Al Cl2 P -","- C27 H20 Al Cl2 P -","- C108 H80 Al4 Cl8 P4 -","4","1","","Federmann, Patrick; Bosse, Tamino; Wolff, Siad; Cula, Beatrice; Herwig, Christian; Limberg, Christian","A strained intramolecular P/Al-FLP and its reactivity toward allene","Chemical Communications","2022","","","","","10.1039/D2CC05640B","","","0.71073","MoKα","","0.0229","0.0225","","","0.0609","0.0613","","","","","","1.042","","","","has coordinates","279040","2022-11-07","22:57:00",""
"7130971","14.457","0.005","24.213","0.014","27.46","0.02","90","","90","","90","","9612","10","160","","160","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H49 Mn Mo9 Na3.05 O78 -","- C42 H49 Mn Mo9 Na3.05 O78 -","- C168 H196 Mn4 Mo36 Na12.2 O312 -","4","1","","Qi, Zhen-Qing; Wang, Ming-Yue; Shen, Jia-Chi; Lan, YouZhao; Jiang, Zhan-Guo; Zhan, Cai-Hong","Supramolecular Hybrids of Chiral Waugh Polyoxometalate with Cyclodextrins","Chemical Communications","2022","","","","","10.1039/D2CC05529E","","","0.71073","MoKα","","0.0575","0.0535","","","0.1611","0.1676","","","","","","1.066","","","","has coordinates","279157","2022-11-09","22:56:15",""
"7131005","6.1843","0.0001","11.5565","0.0001","34.6069","0.0003","90","","90","","90","","2473.32","0.05","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 Cl N3 O3 -","- C27 H31 Cl N3 O3 -","- C108 H124 Cl4 N12 O12 -","4","1","","Umedera, Kohei; Morita, Taiki; Nakamura, Hiroyuki","Asymmetric construction of densely functionalized three-dimensional aza-tetracyclic scaffolds for drug discovery","Chemical Communications","2022","","","","","10.1039/D2CC05700J","","x-ray","1.54184","CuKα","","0.0946","0.0934","","","0.2541","0.2563","","","","","","1.054","","","","has coordinates,has disorder","279267","2022-11-14","23:04:26",""
"7131013","20.35","0.002","22.947","0.003","40.507","0.004","90","","90","","90","","18916","4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H25 Al3 F36 O4 -","- C35.999 H25 Al3 F35.9978 O3.99975 -","- C575.984 H400 Al48 F575.964 O63.996 -","16","4","","Dabringhaus, Philipp; Zedlitz, Silja; Krossing, Ingo","Cationic dialanes with fluxional π-bridged cyclopentadienyl ligands.","Chemical communications (Cambridge, England)","2022","59","2","187","190","10.1039/d2cc05786g","","x-ray","0.71073","MoKα","","0.0625","0.0488","","","0.1127","0.1207","","","","","","1.045","","","","has coordinates,has disorder","281334","2023-03-04","17:45:21",""
"7131085","11.0757","0.0003","14.0725","0.0003","19.5245","0.0005","90","","90","","90","","3043.14","0.13","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Compound 3b","Bis(acetonitrile)copper(I) 4,4-difluoro-2,6-diphenyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaborepin-4-uide","","- C36 H26 B Cu F2 N2 O2 -","- C36 H26 B Cu F2 N2 O2 -","- C144 H104 B4 Cu4 F8 N8 O8 -","4","1","","Labelle, Anthony; Arndtsen, Bruce A.","Chiral BINOL-based borate counterions: from cautionary tale on anion stability to enantioselective Cu-catalyzed cyclopropanation.","Chemical communications (Cambridge, England)","2023","59","6","728","731","10.1039/d2cc05924j","","","1.54178","CuKα","","0.1001","0.0737","","","0.1814","0.2277","","","","","","1.106","","","","has coordinates","283041","2023-05-05","00:10:57",""
"7131110","9.18","0.0001","9.9585","0.0001","14.7974","0.0001","90","","90","","90","","1352.76","0.02","99.9","0.9","99.9","0.9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.","Chemical communications (Cambridge, England)","2023","59","3","346","349","10.1039/d2cc05816b","","x-ray","1.54184","CuKα","","0.0292","0.0292","","","0.0732","0.0733","","","","","","1.088","","","","has coordinates","283138","2023-05-05","00:42:20",""
"7131111","9.1857","0.0001","9.9513","0.0001","14.7797","0.0001","90","","90","","90","","1351.01","0.02","100","0.8","100","0.8","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Liu, Wei-Dong; Li, Guan-Jun; Xu, Han; Deng, Yong-Kai; Du, Ming-Hao; Long, La-Sheng; Zheng, Lan-Sun; Kong, Xiang-Jian","Circularly polarized luminescence and performance modulation of chiral europium-titanium (Eu<sub>2</sub>Ti<sub>4</sub>)-oxo clusters.","Chemical communications (Cambridge, England)","2023","59","3","346","349","10.1039/d2cc05816b","","x-ray","1.54184","CuKα","","0.028","0.0279","","","0.071","0.0711","","","","","","1.081","","","","has coordinates","283138","2023-05-05","00:42:20",""
"7131153","7.8871","0.0007","10.9414","0.0009","30.867","0.003","90","","90","","90","","2663.7","0.4","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 N4 O5 -","- C32 H28 N4 O5 -","- C128 H112 N16 O20 -","4","1","","Chen, Yi-Hua; Yang, Jing; Lu, Zi-Han; Zhao, Ke-Hua; Xie, Qi-Ying; Yan, Sheng-Jiao","Synthesis of benzo[<i>b</i>][1,5]diazocin-6(5<i>H</i>)-one derivatives <i>via</i> the Cu-catalysed oxidative cyclization of 2-aryl-1<i>H</i>-indoles with 1,1-enediamines.","Chemical communications (Cambridge, England)","2023","59","9","1217","1220","10.1039/d2cc06388c","","","0.71073","MoKα","","0.0703","0.0461","","","0.1034","0.1169","","","","","","1.024","","","","has coordinates","283082","2023-05-05","00:23:09",""
"7131178","8.0617","0.0004","10.9968","0.0005","27.6122","0.0012","90","","90","","90","","2447.9","0.2","293.15","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N3 O4 S -","- C27 H25 N3 O4 S -","- C108 H100 N12 O16 S4 -","4","1","","Chen, Ben-Hong; Liu, Shuai-Jiang; Zhao, Qian; Hou, Qiumeng; Yuan, Jia-Li; Zhan, Gu; Yang, Qian-Qian; Huang, Wei","Palladium-catalyzed asymmetric [4+2] annulation of vinyl benzoxazinanones with pyrazolone 4,5-diones to access spirobenzoxazine frameworks.","Chemical communications (Cambridge, England)","2023","59","9","1233","1236","10.1039/d2cc06621a","","","1.54178","CuKα","","0.0468","0.0401","","","0.0926","0.0983","","","","","","1.067","","","","has coordinates,has disorder","283081","2023-05-05","00:22:59",""
"7131182","14.873","0.003","19.141","0.003","12.115","0.002","90","","90","","90","","3448.9","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H52 N2 Si5 Te -","- C25 H52 N2 Si5 Te -","- C100 H208 N8 Si20 Te4 -","4","1","","Bisai, Milan Kumar; Ajithkumar, V. S.; Raj, K. Vipin; Vanka, Kumar; Gonnade, Rajesh G.; Sen, Sakya S.","A zwitterionic disilanylium from an unsymmetrical disilene.","Chemical communications (Cambridge, England)","2023","59","12","1669","1672","10.1039/d2cc06954g","","","0.71073","MoKα","","0.0659","0.0548","","","0.1367","0.1472","","","","","","1.108","","","","has coordinates","283133","2023-05-05","00:40:18",""
"7131199","8.033","0.003","11.591","0.005","12.1","0.005","90","","90","","90","","1126.6","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H2 N8 O10 -","- C4 H2 N8 O10 -","- C16 H8 N32 O40 -","4","1","","Ding, Ning; Sun, Qi; Xu, Xudong; Li, Yaqiong; Zhao, Chaofeng; Li, Shenghua; Pang, Siping","Can a heavy trinitromethyl group always result in a higher density?","Chemical communications (Cambridge, England)","2023","59","14","1939","1942","10.1039/d2cc07077d","","","0.71073","MoKα","","0.0809","0.0439","","","0.0867","0.1017","","","","","","1.071","","","","has coordinates","283070","2023-05-05","00:20:13",""
"7131212","10.1868","0.0005","10.3053","0.0004","18.3253","0.0008","90","","90","","90","","1923.75","0.15","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H24 Cl5 N2 O2 Sb -","- C10 H24 Cl5 N2 O2 Sb -","- C40 H96 Cl20 N8 O8 Sb4 -","4","1","","Liu, Qin; Peng, Hang; Qi, Jun-Chao; Lu, Yan-Zi; Yang, Shu-Jing; Liao, Wei-Qiang","A photoluminescent chiral lead-free hybrid ferroelastic semiconductor with switchable second-harmonic generation.","Chemical communications (Cambridge, England)","2023","59","13","1793","1796","10.1039/d2cc06575d","","x-ray","0.71073","MoKα","","0.052","0.0366","","","0.0656","0.0708","","","","","","0.965","","","","has coordinates","283069","2023-05-05","00:20:04",""
"7131222","6.267","0.005","14.093","0.01","20.143","0.016","90","","90","","90","","1779","2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Fe Si -","- C20 H22 Fe Si -","- C80 H88 Fe4 Si4 -","4","1","","Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong","Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.","Chemical communications (Cambridge, England)","2023","59","19","2739","2742","10.1039/d2cc06492h","","","0.71073","MoKα","","0.075","0.0482","","","0.1157","0.1309","","","","","","1.033","","","","has coordinates","283044","2023-05-05","00:11:44",""
"7131225","7.7","0.002","10.814","0.003","29.94","0.008","90","","90","","90","","2493","1.2","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Fe -","- C17 H14 Fe -","- C136 H112 Fe8 -","8","2","","Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong","Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.","Chemical communications (Cambridge, England)","2023","59","19","2739","2742","10.1039/d2cc06492h","","","0.71073","MoKα","","0.0513","0.0467","","","0.1215","0.127","","","","","","1.03","","","","has coordinates","283044","2023-05-05","00:11:45",""
"7131229","8.559","0.005","11.896","0.006","23.988","0.013","90","","90","","90","","2442","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 Fe S2 -","- C29 H28 Fe S2 -","- C116 H112 Fe4 S8 -","4","1","","Ling, Li; Song, Zeli; Shan, He; Wang, Chao; Li, Shouting; Wang, Yanjiao; Hu, Jianfeng; Chen, Qian; Zhang, Hao; Yang, Yong","Design and synthesis of a new family of planar and central chiral ferrocenyl phosphine ligands.","Chemical communications (Cambridge, England)","2023","59","19","2739","2742","10.1039/d2cc06492h","","","0.71073","MoKα","","0.1085","0.0612","","","0.1484","0.1713","","","","","","0.951","","","","has coordinates","283044","2023-05-05","00:11:45",""
"7131255","6.9868","0.0002","13.2624","0.0004","16.4698","0.0006","90","","90","","90","","1526.12","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 Cl N3 O0.25 Zn -","- C12 H17 Cl N2 O2 Zn -","- C48 H68 Cl4 N8 O8 Zn4 -","4","1","","Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh","Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks","Chemical Communications","2023","59","18","2608","2611","10.1039/D2CC06283F","","","0.71073","MoKα","","0.0287","0.0262","","","0.0658","0.069","","","","","","0.833","","","","has coordinates","282621","2023-04-13","12:20:52",""
"7131256","7.3246","0.0004","13.5488","0.0005","16.3806","0.0007","90","","90","","90","","1625.6","0.13","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 Br N2 O2 Zn -","- C12 H17 Br N2 O2 Zn -","- C48 H68 Br4 N8 O8 Zn4 -","4","1","","Mohammed, Abdul Khayum; Pena-Sánchez, Pilar; Pandikassala, Ajmal; Gaber, Safa; AlKhoori, Ayesha A.; Skorjanc, Tina; Polychronopoulou, Kyriaki; Kurungot, Sreekumar; Gándara, Felipe; Shetty, Dinesh","Salicylaldehydate coordinated two-dimensional-conjugated metal–organic frameworks","Chemical Communications","2023","59","18","2608","2611","10.1039/D2CC06283F","","","0.71073","MoKα","","0.0435","0.0346","","","0.068","0.0717","","","","","","1.022","","","","has coordinates","282621","2023-04-13","12:20:52",""
"7131267","4.8747","0.0002","10.5771","0.0004","44.7202","0.0016","90","","90","","90","","2305.78","0.15","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2R,3S,4S,6S)-4-azido-3-(benzyloxy)-2-((benzyloxy)methyl)-6-(p-tolyl)tetrahydro-2H-pyran","","- C27 H29 N3 O3 -","- C27 H29 N3 O3 -","- C108 H116 N12 O12 -","4","1","","Ghouilem, Juba; Bazzi, Sokna; Grimblat, Nicolas; Retailleau, Pascal; Gandon, Vincent; Messaoudi, Samir","Transient imine as a directing group for the Pd-catalyzed anomeric C(sp<sup>3</sup>)-H arylation of 3-aminosugars.","Chemical communications (Cambridge, England)","2023","59","17","2497","2500","10.1039/d3cc00046j","","x-ray","0.71073","MoKα","","0.0536","0.0405","","","0.0896","0.0948","","","","","","1.033","","","","has coordinates,has disorder","281331","2023-03-04","17:43:56",""
"7131268","4.9654","0.0003","10.7233","0.0008","44.847","0.003","90","","90","","90","","2387.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2R,3S,4S,6S)-4-azido-3-(benzyloxy)-2-((benzyloxy)methyl)-6-(p-tolyl)tetrahydro-2H-pyran","","- C27 H29 N3 O3 -","- C27 H29 N3 O3 -","- C108 H116 N12 O12 -","4","1","","Ghouilem, Juba; Bazzi, Sokna; Grimblat, Nicolas; Retailleau, Pascal; Gandon, Vincent; Messaoudi, Samir","Transient imine as a directing group for the Pd-catalyzed anomeric C(sp<sup>3</sup>)-H arylation of 3-aminosugars.","Chemical communications (Cambridge, England)","2023","59","17","2497","2500","10.1039/d3cc00046j","","","1.54187","CuKα","","0.082","0.0521","","","0.1056","0.1197","","","","","","0.81","","","","has coordinates,has disorder","281331","2023-03-04","17:43:56",""
"7131292","16.0496","0.0008","18.367","0.0007","18.5626","0.0009","90","","90","","90","","5471.9","0.4","130","2","130","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C55.5 H51 Cu3 I3 N3 O1.5 P3 -","- C51 H42 Cu3 I3 N3 P3 -","- C204 H168 Cu12 I12 N12 P12 -","4","1","","Baranov, Andrey Yu; Rakhmanova, Mariana I.; Hei, Xiuze; Samsonenko, Denis G.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Ryzhikov, Maxim R.; Fedin, Vladimir P.; Li, Jing; Artem'ev, Alexander V.","A new subclass of copper(I) hybrid emitters showing TADF with near-unity quantum yields and a strong solvatochromic effect.","Chemical communications (Cambridge, England)","2023","59","20","2923","2926","10.1039/d3cc00119a","","x-ray","0.71073","MoKα","","0.0458","0.0416","","","0.0994","0.1016","","","","","","1.043","","","","has coordinates,has disorder","283061","2023-05-05","00:17:49",""
"7131294","17.1143","0.001","17.8898","0.0011","18.7126","0.0008","90","","90","","90","","5729.3","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tri-nuclear complex of copper(I) iodide with tris(2-pyridyl) phosphine and triphenylphosphine (benzonitrile solvate)","","- C58 H47 Cu3 I3 N4 P3 -","- C58 H47 Cu3 I3 N4 P3 -","- C232 H188 Cu12 I12 N16 P12 -","4","1","","Baranov, Andrey Yu; Rakhmanova, Mariana I.; Hei, Xiuze; Samsonenko, Denis G.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Ryzhikov, Maxim R.; Fedin, Vladimir P.; Li, Jing; Artem'ev, Alexander V.","A new subclass of copper(I) hybrid emitters showing TADF with near-unity quantum yields and a strong solvatochromic effect.","Chemical communications (Cambridge, England)","2023","59","20","2923","2926","10.1039/d3cc00119a","","","0.71073","MoKα","","0.0795","0.0407","","","0.0845","0.0991","","","","","","1.014","","","","has coordinates","283061","2023-05-05","00:17:50",""
"7131300","9.4574","0.0002","10.5099","0.0002","39.2952","0.0006","90","","90","","90","","3905.8","0.13","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 N O10 -","- C44 H41 N O10 -","- C176 H164 N4 O40 -","4","1","","Wang, Mengran; Wang, Chao; Xie, Xiuling; Pan, Da; Liu, Liangyu; Chen, Qiao; Li, Zhixuan; Zhang, Qi; Xu, Zhaoqing","Non-classical <i>C</i>-saccharide linkage of dehydroalanine: synthesis of <i>C</i>-glycoamino acids and <i>C</i>-glycopeptides.","Chemical communications (Cambridge, England)","2023","59","22","3305","3308","10.1039/d2cc06653j","","x-ray","1.54184","CuKα","","0.0781","0.0736","","","0.1985","0.2018","","","","","","1.097","","","","has coordinates,has disorder","282254","2023-04-04","09:35:57",""
"7131305","9.525","0.0005","14.4544","0.0009","26.138","0.0012","90","","90","","90","","3598.6","0.3","106","8","106","8","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C50 H32 N4 -","- C50 H32 N4 -","- C200 H128 N16 -","4","1","","Mutoh, Katsuya; Moriyama, Natsuho; Abe, Jiro","Acceleration of the thermal back-reaction and the finding of a non-photochromic isomer for a negative photochromic binaphthyl-bridged imidazole dimer.","Chemical communications (Cambridge, England)","2023","59","20","2962","2965","10.1039/d2cc06942c","","x-ray","0.71073","MoKα","","0.0675","0.05","","","0.1102","0.1176","","","","","","1.021","","","","has coordinates","283062","2023-05-05","00:18:16",""
"7131306","13.5892","0.0003","17.5461","0.0004","19.4886","0.0004","90","","90","","90","","4646.81","0.18","105","8","105","8","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C64 H48 N4 -","- C64 H48 N4 -","- C256 H192 N16 -","4","1","","Mutoh, Katsuya; Moriyama, Natsuho; Abe, Jiro","Acceleration of the thermal back-reaction and the finding of a non-photochromic isomer for a negative photochromic binaphthyl-bridged imidazole dimer.","Chemical communications (Cambridge, England)","2023","59","20","2962","2965","10.1039/d2cc06942c","","x-ray","0.71073","MoKα","","0.0931","0.0552","","","0.1024","0.1144","","","","","","1.012","","","","has coordinates","283062","2023-05-05","00:18:16",""
"7131308","6.8601","0.0002","13.4801","0.0004","19.2445","0.0005","90","","90","","90","","1779.63","0.09","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O6 S4 -","- C14 H17 N O6 S4 -","- C56 H68 N4 O24 S16 -","4","1","","Morimachi, Yuto; Urai, Mizuki; Nakajima, Ryota; Kamebuchi, Hajime; Miyagawa, Kazuya; Kanoda, Kazushi; Zhou, Biao","An organic superconductor, (TEA)(HEDO-TTF-dc)<sub>2</sub>·2(H<sub>2</sub>C<sub>2</sub>O<sub>4</sub>), coupled with strong hydrogen-bonding interactions.","Chemical communications (Cambridge, England)","2023","59","28","4162","4165","10.1039/d3cc00080j","","","0.71073","MoKα","","0.0332","0.0293","","","0.0718","0.0739","","","","","","1.024","","","","has coordinates,has disorder","283014","2023-05-04","23:59:25",""
"7131311","8.9617","0.0003","13.5542","0.0005","20.2007","0.0007","90","","90","","90","","2453.75","0.15","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Bi N4 O9 -","- C24 H27 Bi N4 O9 -","- C96 H108 Bi4 N16 O36 -","4","1","","Lucio-Martínez, Fátima; Esteban-Gómez, David; Valencia, Laura; Horváth, Dávid; Szücs, Dániel; Fekete, Anikó; Szikra, Dezső; Tircsó, Gyula; Platas-Iglesias, Carlos","Rigid H<sub>4</sub>OCTAPA derivatives as model chelators for the development of Bi(III)-based radiopharmaceuticals.","Chemical communications (Cambridge, England)","2023","59","23","3443","3446","10.1039/d2cc06876a","","","0.71073","MoKα","","0.0253","0.0238","","","0.0523","0.0529","","","","","","1.056","","","","has coordinates","283105","2023-05-05","00:29:17",""
"7131319","8.9449","0.0002","13.8365","0.0004","13.8542","0.0004","90","","90","","90","","1714.68","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C80 H88 N8 O16 -","4","1","","Hu, Bin-Yuan; Zhao, Yun-Li; Zhou, Zhong-Shun; Zhu, Yan-Yan; Luo, Xiao-Dong","Significant anti-inflammatory aziridine-containing indole alkaloids from the Chinese medicinal plant Alstonia scholaris","Chemical Communications","2023","59","16","2271","2274","10.1039/D2CC07029D","","","1.54178","CuKα","","0.0309","0.0308","","","0.0814","0.0815","","","","","","1.054","","","","has coordinates","281070","2023-02-22","07:41:30",""
"7131324","12.1078","0.0001","20.0062","0.0002","21.6776","0.0002","90","","90","","90","","5250.99","0.08","160","0.1","160","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H51 Ag2 Cl3 F6 O14 -","- C50 H51 Ag2 Cl3 F6 O14 -","- C200 H204 Ag8 Cl12 F24 O56 -","4","1","","Yang, Weiwei; Wang, Haiying; Chang, Rong; Feng, Zhitao; Zhu, Yumei; Sue, Andrew C.-H.","Handcuff-like metallo-pseudorotaxanes consisting of tiara[5]arene wheels and dimeric silver trifluoroacetate axles.","Chemical communications (Cambridge, England)","2023","59","17","2457","2460","10.1039/d2cc06951b","","x-ray","1.54184","CuKα","","0.0661","0.0637","","","0.1676","0.1713","","","","","","1.032","","","","has coordinates,has disorder","281114","2023-02-24","07:35:34",""
"7131325","12.1518","0.0003","20.0181","0.0005","21.6563","0.0007","90","","90","","90","","5268","0.3","159.99","0.1","159.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H51 Ag2 Cl3 F6 O14 -","- C50 H51 Ag2 Cl3 F6 O14 -","- C200 H204 Ag8 Cl12 F24 O56 -","4","1","","Yang, Weiwei; Wang, Haiying; Chang, Rong; Feng, Zhitao; Zhu, Yumei; Sue, Andrew C.-H.","Handcuff-like metallo-pseudorotaxanes consisting of tiara[5]arene wheels and dimeric silver trifluoroacetate axles.","Chemical communications (Cambridge, England)","2023","59","17","2457","2460","10.1039/d2cc06951b","","x-ray","1.54184","CuKα","","0.105","0.0756","","","0.2048","0.2272","","","","","","1.142","","","","has coordinates,has disorder","281114","2023-02-24","07:35:35",""
"7131333","7.4904","0.0003","9.2769","0.0004","17.2085","0.0008","90","","90","","90","","1195.78","0.09","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H5 Ag F9 N -","- C8 H5 Ag F9 N -","- C32 H20 Ag4 F36 N4 -","4","1","","Joven-Sancho, Daniel; Demonti, Luca; Martín, Antonio; Saffon-Merceron, Nathalie; Nebra, Noel; Baya, Miguel; Menjón, Babil","Electrophilicity of neutral square-planar organosilver(III) compounds.","Chemical communications (Cambridge, England)","2023","59","28","4166","4168","10.1039/d3cc00493g","","","0.71073","MoKα","","0.0358","0.0283","","","0.0609","0.0643","","","","","","1.046","","","","has coordinates,has disorder","283013","2023-05-04","23:59:12",""
"7131396","14.9659","0.0016","17.1787","0.0018","18.703","0.002","90","","90","","90","","4808.4","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 O2 Pt -","- C30 H20 N2 O2 Pt -","- C240 H160 N16 O16 Pt8 -","8","2","","Tauchi, Daiki; Koida, Taiki; Nojima, Yuki; Hasegawa, Masahi; Mazaki, Yasuhiro; Inagaki, Akiko; Sugiura, Ken-Ichi; Nagaya, Yuki; Tsubaki, Kazunori; Shiga, Takuya; Nagata, Yuuya; Nishikawa, Hiroyuki","Aggregation-induced circularly polarized phosphorescence of Pt(II) complexes with an axially chiral BINOL ligand.","Chemical communications (Cambridge, England)","2023","59","27","4004","4007","10.1039/d2cc06198h","","","0.71073","MoKα","","0.0319","0.0283","","","0.0595","0.0617","","","","","","1.305","","","","has coordinates","282263","2023-04-04","09:40:16",""
"7131397","14.959","0.002","17.171","0.003","18.707","0.003","90","","90","","90","","4805.1","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N2 O2 Pt -","- C30 H20 N2 O2 Pt -","- C240 H160 N16 O16 Pt8 -","8","2","","Tauchi, Daiki; Koida, Taiki; Nojima, Yuki; Hasegawa, Masahi; Mazaki, Yasuhiro; Inagaki, Akiko; Sugiura, Ken-Ichi; Nagaya, Yuki; Tsubaki, Kazunori; Shiga, Takuya; Nagata, Yuuya; Nishikawa, Hiroyuki","Aggregation-induced circularly polarized phosphorescence of Pt(II) complexes with an axially chiral BINOL ligand.","Chemical communications (Cambridge, England)","2023","59","27","4004","4007","10.1039/d2cc06198h","","","0.71073","MoKα","","0.0391","0.0313","","","0.0621","0.0665","","","","","","1.143","","","","has coordinates","282263","2023-04-04","09:40:17",""
"7131413","5.647","0.002","10.259","0.003","24.055","0.001","90","","90","","90","","1393.6","0.6","110","","110","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 B F4 I O3 S -","- C10 H14 B F4 I O3 S -","- C40 H56 B4 F16 I4 O12 S4 -","4","1","","Thai, Phong; Frey, Brandon L.; Figgins, Matthew T.; Thompson, Richard R.; Carmieli, Raanan; Powers, David C.","Selective multi-electron aggregation at a hypervalent iodine center by sequential disproportionation.","Chemical communications (Cambridge, England)","2023","59","29","4308","4311","10.1039/d3cc00549f","","","0.71073","MoKα","","0.0577","0.0537","","","0.1145","0.1195","","","","","","1.246","","","","has coordinates","283011","2023-05-04","23:58:26",""
"7131414","5.7361","0.0002","16.5918","0.0007","17.3437","0.0007","90","","90","","90","","1650.64","0.11","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Cl I O8 S -","- C11 H16 Cl I O8 S -","- C44 H64 Cl4 I4 O32 S4 -","4","1","","Thai, Phong; Frey, Brandon L.; Figgins, Matthew T.; Thompson, Richard R.; Carmieli, Raanan; Powers, David C.","Selective multi-electron aggregation at a hypervalent iodine center by sequential disproportionation.","Chemical communications (Cambridge, England)","2023","59","29","4308","4311","10.1039/d3cc00549f","","","0.71073","MoKα","","0.0486","0.0443","","","0.1198","0.1224","","","","","","0.944","","","","has coordinates","283011","2023-05-04","23:58:26",""
"7131445","6.5537","0.0002","14.9106","0.0004","18.4935","0.0004","90","","90","","90","","1807.18","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C80 H80 N8 O24 -","4","1","","Cristóbal, Christian; Corral, César; Carretero, Juan C.; Ribagorda, Maria; Adrio, Javier","Enantioselective transformations of 5-hydroxymethylfurfural <i>via</i> catalytic asymmetric 1,3-dipolar cycloaddition of azomethine ylides.","Chemical communications (Cambridge, England)","2023","59","29","4336","4339","10.1039/d3cc00499f","","","1.54178","CuKα","","0.0283","0.0271","","","0.0704","0.0711","","","","","","1.055","","","","has coordinates","283008","2023-05-04","23:56:55",""
"7131479","11.3035","0.0004","14.6331","0.0005","19.5647","0.0006","90","","90","","90","","3236.1","0.19","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N -","- C21 H20 N -","- C168 H160 N8 -","8","2","","Jiang, Qianwen; Xie, Wansen; Yang, Xiaoyu","Asymmetric synthesis of highly sterically congested α-tertiary amines <i>via</i> organocatalyzed kinetic resolution.","Chemical communications (Cambridge, England)","2023","59","32","4762","4765","10.1039/d3cc00653k","","","1.54178","CuKα","","0.0689","0.0665","","","0.1695","0.1737","","","","","","1.075","","","","has coordinates","283020","2023-05-05","00:02:06",""
"7131481","8.4361","0.0005","10.9609","0.0006","21.3387","0.0012","90","","90","","90","","1973.13","0.19","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 F N5 O -","- C24 H18 F N5 O -","- C96 H72 F4 N20 O4 -","4","1","","Liang, Qiuming; Zeng, Yimin; Mendez Ocampo, Pedro A.; Zhu, Hui; Qu, Zheng-Wang; Grimme, Stefan; Song, Datong","[4+1] cyclization of α-diazo esters and mesoionic N-heterocyclic olefins.","Chemical communications (Cambridge, England)","2023","59","32","4770","4773","10.1039/d3cc01139a","","","0.71073","MoKα","","0.0835","0.0516","","","0.1083","0.1195","","","","","","1.028","","","","has coordinates","283021","2023-05-05","00:02:48",""
"7131497","31.4137","0.0003","32.1377","0.0002","50.4723","0.0004","90","","90","","90","","50955","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C470.03 H676.06 N60 O40.68 P4 -","- C457.03 H648.06 N60 O40.6766 P4 -","- C1828.12 H2592.24 N240 O162.706 P16 -","4","1","","Zhao, Jie; Zhang, Wenyao; Zheng, Yayun; Wang, Yue; Yang, Dong","Fluorescence ""ON-OFF-ON"" response in the formation of a tetrahedral anionocage and encapsulation of halogenated hydrocarbons.","Chemical communications (Cambridge, England)","2023","59","35","5229","5232","10.1039/d2cc06485e","","","1.54184","CuKα","","0.1023","0.0909","","","0.2505","0.2663","","","","","","1.058","","","","has coordinates","283118","2023-05-05","00:34:24",""
"7131530","13.19442","0.00016","14.99103","0.00015","22.2823","0.0002","90","","90","","90","","4407.39","0.08","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H76 Al K N2 Si2 -","- C42 H76 Al K N2 Si2 -","- C168 H304 Al4 K4 N8 Si8 -","4","1","","Jackson, Ross A.; Matthews, Aidan J. R.; Vasko, Petra; Mahon, Mary F.; Hicks, Jamie; Liptrot, David J.","An acyclic aluminyl anion.","Chemical communications (Cambridge, England)","2023","59","35","5277","5280","10.1039/d3cc01317k","","x-ray","1.54184","CuKα","","0.0439","0.0409","","","0.105","0.1081","","","","","","1.038","","","","has coordinates","283115","2023-05-05","00:32:49",""
"7131533","9.8468","0.0004","10.3709","0.0004","17.4196","0.0008","90","","90","","90","","1778.89","0.13","134.31","","134.31","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H60 Br4 I4 N4 O16 -","- C72 H60 Br4 I4 N4 O16 -","- C72 H60 Br4 I4 N4 O16 -","1","0.25","","Dutta, Sourav; Porey, Arka; Guin, Joyram","N-Heterocyclic carbene catalyzed desymmetrization of diols: access to enantioenriched oxindoles having a C3-quaternary stereocenter.","Chemical communications (Cambridge, England)","2023","59","38","5771","5774","10.1039/d3cc00489a","","","0.71073","MoKα","","0.0283","0.027","","","0.0638","0.0643","","","","","","1.061","","","","has coordinates","284205","2023-06-05","03:47:52",""
"7131545","10.5572","0.0002","12.2026","0.0002","15.4049","0.0003","90","","90","","90","","1984.54","0.06","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O4 S -","- C22 H28 O4 S -","- C88 H112 O16 S4 -","4","1","","Halder, Indranil; Nair, Akshay M.; Volla, Chandra M. R.","A visible light mediated alkyl sulfonylative cascade using Hantzsch esters <i>via</i> SO<sub>2</sub> insertion.","Chemical communications (Cambridge, England)","2023","59","39","5862","5865","10.1039/d3cc01088k","","x-ray","0.71073","MoKα","","0.0379","0.0365","","","0.0878","0.0883","","","","","","1.115","","","","has coordinates","284195","2023-06-05","03:43:24",""
"7131559","9.824","0.005","14.724","0.009","17.133","0.01","90","","90","","90","","2478","2","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Br Cl2 N2 O3 -","- C28 H20 Br Cl2 N2 O3 -","- C112 H80 Br4 Cl8 N8 O12 -","4","1","","Ji, Hong; Zou, Juan; Mou, Chengli; Liu, Yonggui; Ren, Shi-Chao; Chi, Yonggui Robin","NHC-catalyzed [12+2] reaction of polycyclic arylaldehydes for access to indole derivatives.","Chemical communications (Cambridge, England)","2023","59","42","6351","6354","10.1039/d3cc00999h","","","1.54178","CuKα","","0.1068","0.0911","","","0.2399","0.2537","","","","","","1.094","","","","has coordinates","284190","2023-06-05","03:42:04",""
"7131570","9.8267","0.0012","9.9692","0.0011","24.995","0.003","90","","90","","90","","2448.6","0.5","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H25 N O -","- C35 H25 N O -","- C140 H100 N4 O4 -","4","1","","Naskar, Koushik; Karmakar, Sudip; Mondal, Imtiaj; Sarkar, Writhabrata; Roy, Shantonu; Roy, Anupam; Deb, Indubhusan","Synthesis of indene-fused spiro-dibenz(ox)azepines <i>via</i> Rh(III)-catalyzed cascade regioselective C-H activation/annulation.","Chemical communications (Cambridge, England)","2023","59","50","7751","7754","10.1039/d3cc01416a","","x-ray","1.54178","CuKα","","0.0378","0.0377","","","0.0928","0.0929","","","","","","1.142","","","","has coordinates","284849","2023-07-05","08:53:55",""
"7131584","8.364","0.0003","10.6149","0.0005","17.5618","0.0009","90","","90","","90","","1559.19","0.12","299.99","","299.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N3 O3 -","- C15 H19 N3 O3 -","- C60 H76 N12 O12 -","4","1","","Deka, Jugal Kishore Rai; Borah, Debashree; Das, Paramesh; Sahariah, Biswajit; Vishnoi, Pratap; Sarma, Bani Kanta","Synergistic n → π* and n<sub>N</sub> → π*<sub>Ar</sub> interactions in C-terminal modified prolines: effect on Xaa-Pro <i>cis</i>/<i>trans</i> equilibrium.","Chemical communications (Cambridge, England)","2023","59","40","6080","6083","10.1039/d3cc01494k","","","0.71073","MoKα","","0.0761","0.0401","","","0.0904","0.1141","","","","","","1.1213","","","","has coordinates","284199","2023-06-05","03:45:35",""
"7131585","6.8839","0.0004","14.6506","0.0011","16.5975","0.0012","90","","90","","90","","1673.9","0.2","297.42","","297.42","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N4 O3 -","- C16 H18 N4 O3 -","- C64 H72 N16 O12 -","4","1","","Deka, Jugal Kishore Rai; Borah, Debashree; Das, Paramesh; Sahariah, Biswajit; Vishnoi, Pratap; Sarma, Bani Kanta","Synergistic n → π* and n<sub>N</sub> → π*<sub>Ar</sub> interactions in C-terminal modified prolines: effect on Xaa-Pro <i>cis</i>/<i>trans</i> equilibrium.","Chemical communications (Cambridge, England)","2023","59","40","6080","6083","10.1039/d3cc01494k","","","0.71073","MoKα","","0.1563","0.0495","","","0.1235","0.199","","","","","","1.1442","","","","has coordinates,has disorder","284199","2023-06-05","03:45:35",""
"7131623","13.7509","0.0001","17.8898","0.0001","21.4801","0.0002","90","","90","","90","","5284.12","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N5 Pt -","- C13 H13 N5 Pt -","- C208 H208 N80 Pt16 -","16","4","","Sasaki, Kono; Saito, Daisuke; Yoshida, Masaki; Tanaka, Fuka; Kobayashi, Atsushi; Sada, Kazuki; Kato, Masako","Chromic triboluminescence of self-assembled platinum(II) complexes.","Chemical communications (Cambridge, England)","2023","59","44","6745","6748","10.1039/d3cc01525d","","","1.54184","CuKα","","0.0499","0.048","","","0.1375","0.1391","","","","","","1.039","","","","has coordinates,has disorder","284167","2023-06-05","03:28:19",""
"7131659","7.8431","0.0001","8.7977","0.0001","33.4343","0.0004","90","","90","","90","","2307.01","0.05","200","0.1","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Br4 F2 N2 Pb -","- C16 H22 Br4 F2 N2 Pb -","- C64 H88 Br16 F8 N8 Pb4 -","4","1","","Zhao, Xuan-Hui; Li, Na-Na; Peng, Jing; Xu, Jun; Luo, Peng; Dong, Xi-Yan; Hu, Xiaozong","Circularly polarized luminescence enlargement from crystals to oriented films of enantiopure 2D hybrid perovskites.","Chemical communications (Cambridge, England)","2023","59","45","6881","6884","10.1039/d3cc01739g","","x-ray","1.54184","CuKα","","0.0344","0.031","","","0.0727","0.0742","","","","","","1.027","","","","has coordinates","284203","2023-06-05","03:47:06",""
"7131660","7.8403","0.0001","8.7958","0.0001","33.4329","0.0004","90","","90","","90","","2305.59","0.05","200","0.1","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Br4 F2 N2 Pb -","- C16 H22 Br4 F2 N2 Pb -","- C64 H88 Br16 F8 N8 Pb4 -","4","1","","Zhao, Xuan-Hui; Li, Na-Na; Peng, Jing; Xu, Jun; Luo, Peng; Dong, Xi-Yan; Hu, Xiaozong","Circularly polarized luminescence enlargement from crystals to oriented films of enantiopure 2D hybrid perovskites.","Chemical communications (Cambridge, England)","2023","59","45","6881","6884","10.1039/d3cc01739g","","x-ray","1.54184","CuKα","","0.038","0.0373","","","0.1019","0.1025","","","","","","1.064","","","","has coordinates","284203","2023-06-05","03:47:16",""
"7131707","4.925","0.001","21.683","0.004","24.35","0.005","90","","90","","90","","2600.3","0.9","100","2","100","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 N2 O5 -","- C32 H28 N2 O5 -","- C128 H112 N8 O20 -","4","1","","Adorinni, Simone; Goti, Giulio; Rizzo, Lorenzo; Grassi, Federica; Kralj, Slavko; Matroodi, Fatima; Natali, Mirco; De Zorzi, Rita; Marchesan, Silvia; Dell'Amico, Luca","Self-assembly of benzophenone-diphenylalanine conjugate into a nanostructured photocatalyst.","Chemical communications (Cambridge, England)","2023","59","49","7619","7622","10.1039/d3cc01673k","","x-ray","0.7","Synchrotron","","0.1538","0.0749","","","0.1767","0.2266","","","","","","0.963","","","","has coordinates","284879","2023-07-05","09:18:05",""
"7131723","7.9211","0.0002","8.4929","0.0002","24.4236","0.0007","90","","90","","90","","1643.05","0.07","293","2","293.42","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N5 O -","- C18 H16 N5 O -","- C72 H64 N20 O4 -","4","1","","Lin, Cheng-Zhou; Jiang, Ling-Feng; Zhang, Guang-Yi; Zhou, Fang-Shuai; Wu, Shao-Hua; Cao, Jing; Deng, Qing-Hai","Enantioselective synthesis of 3a-azido-pyrroloindolines by copper-catalyzed asymmetric dearomative azidation of tryptamines.","Chemical communications (Cambridge, England)","2023","59","50","7831","7834","10.1039/d3cc01438j","","","1.54178","CuKα","","0.0465","0.0406","","","0.1108","0.1139","","","","","","1.077","","","","has coordinates","284855","2023-07-05","09:00:44",""
"7131726","8.6172","0.0003","11.8062","0.0005","21.5472","0.0009","90","","90","","90","","2192.13","0.15","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(C3H10N)3PbBr5","","- C9 H30 Br5 N3 Pb -","- C9 H30 Br5 N3 Pb -","- C36 H120 Br20 N12 Pb4 -","4","1","","Ru, Hua-Yang; Wang, Zhao-Yang; Liu, Hua-Li; Zang, Shuang-Quan","Regulating structural asymmetry <i>via</i> fluorination engineering in hybrid lead bromide perovskites.","Chemical communications (Cambridge, England)","2023","59","52","8111","8114","10.1039/d3cc02098c","","x-ray","0.71073","MoKα","","0.047","0.0353","","","0.0891","0.1142","","","","","","1.16","","","","has coordinates,has disorder","284839","2023-07-05","08:48:34",""
"7131741","5.9597","0.0004","18.6637","0.0015","20.644","0.0013","90","","90","","90","","2296.2","0.3","299","","299","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O2 S Se -","- C27 H21 N O2 S Se -","- C108 H84 N4 O8 S4 Se4 -","4","1","","Dapkekar, Anil Balajirao; Satyanarayana, Gedu","An electrochemical cascade process: synthesis of 3-selenylindoles from 2-alkynylanilines with diselenides.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02294c","","","0.71073","MoKα","","0.045","0.0351","","","0.0808","0.0856","","","","","","1.0275","","","","has coordinates","284540","2023-06-29","07:56:34",""
"7131745","8.24888","0.00018","8.64551","0.00016","24.3498","0.0005","90","","90","","90","","1736.52","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O7 -","- C15 H22 N2 O7 -","- C60 H88 N8 O28 -","4","1","","Chen, Yun-Xuan; Han, Tian-Jiao; Xiao, Xiao; Wang, Min-Can; Mei, Guang-Jian","Catalytic asymmetric interrupted Attanasi reaction: access to fused 2,3-dihydropyrroles with vicinal quaternary carbons.","Chemical communications (Cambridge, England)","2023","59","52","8103","8106","10.1039/d3cc02172f","","x-ray","1.54184","CuKα","","0.0454","0.0427","","","0.113","0.116","","","","","","1.027","","","","has coordinates,has disorder","284543","2023-06-29","08:00:05",""
"7131751","4.7593","0.0001","16.235","0.0004","16.5153","0.0004","90","","90","","90","","1276.09","0.05","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O -","- C15 H20 O -","- C60 H80 O4 -","4","1","","Sun, Yu; Li, Yuanmeng; Wang, Xiuqi; Cao, Xu; Deng, Hongping; Bu, Xiaoli; Ma, Mengtao; Xue, Fei","Preparation of new chiral diene ligands and Their Use in the Rhodium Catalyzed Asymmetric Annulation of 2-Formylarylboronic acid with Dialkylalkynes","Chemical Communications","2023","","","","","10.1039/D3CC02330C","","","1.54178","CuKα","","0.0278","0.0271","","","0.0687","0.0694","","","","","","1.038","","","","has coordinates","284546","2023-06-29","08:04:25",""
"7131755","10.1342","0.0001","10.9767","0.0002","27.3919","0.0004","90","","90","","90","","3047.08","0.08","213","","213","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 Cl2 F N O4 -","- C31 H36 Cl2 F N O4 -","- C124 H144 Cl8 F4 N4 O16 -","4","1","","Qi, Suo-Suo; Luo, Xin; Sun, Xiao-Ping; Zhai, Jing-Jing; Chu, Ming-Ming; Chen, Jin; Wang, Yi-Feng; Xu, Dan-Qian","Metal-free and enantioselective synthesis of 1,4-benzoxazepines from <i>para</i>-quinone methide derivatives and α-bromohydroxamates.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02368k","","","1.34139","GaKα","","0.091","0.0754","","","0.2166","0.2322","","","","","","1.064","","","","has coordinates","284548","2023-06-29","08:06:04",""
"7131779","6.0599","0.0008","13.909","0.002","17.1498","0.0018","90","","90","","90","","1445.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O4 -","- C15 H15 Cl O4 -","- C60 H60 Cl4 O16 -","4","1","","Ming, Yong-Chao; Lv, Xue-Jiao; Chen, Ying-Han; Liu, Yan-Kai","Asymmetric iminium ion-catalyzed conjugate addition of 2-hydroxycinnamaldehydes and 2-oxocarboxylic esters: synthesis of chiral polysubstituted bridged bicyclic ketals.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc02739b","","x-ray","1.54184","CuKα","","0.1241","0.0656","","","0.1605","0.2282","","","","","","1.137","","","","has coordinates","284554","2023-06-29","08:28:25",""
"7131844","10.812","0.007","16.198","0.011","17.618","0.013","90","","90","","90","","3085","4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H42 Al F3 N2 O3 S -","- C29 H42 Al F3 N2 O3 S -","- C116 H168 Al4 F12 N8 O12 S4 -","4","1","","Balayan, Kajal; Sharma, Himanshu; Vanka, Kumar; Ravindranathan, Sapna; Gonnade, Rajesh G.; Sen, Sakya S.","On the competition between six-membered and five-membered NHC towards alane centered ring expansion.","Chemical communications (Cambridge, England)","2023","59","55","8540","8543","10.1039/d3cc02063k","","","0.71073","MoKα","","0.0791","0.0491","","","0.1164","0.1252","","","","","","1.047","","","","has coordinates","285064","2023-07-06","21:54:12",""
"7131893","6.1308","0.0001","11.6294","0.0001","25.4879","0.0003","90","","90","","90","","1817.22","0.04","100.3","0.9","100.3","0.9","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Maiti, Mamata; Jana, Sayan Kumar; Maji, Biplab","Asymmetric alkene-alkene reductive cross-coupling reaction via visible-light photoredox/cobalt dual catalysis","Chemical Communications","2023","","","","","10.1039/D3CC02792A","","x-ray","1.54184","CuKα","","0.0437","0.0424","","","0.1044","0.1055","","","","","","1.022","","","","has coordinates","285202","2023-07-13","22:00:07",""
"7131906","13.281","0.003","16.693","0.003","18.753","0.004","90","","90","","90","","4157.5","1.5","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H63 N2 P Si -","- C49 H63 N2 P Si -","- C196 H252 N8 P4 Si4 -","4","1","","Li, Yan; Wang, Chenfeng; Su, Ming-Der; Fang, Zijie; Zhou, Jiahao; Zhang, Haoqi; Li, Xiaodi; Zuo, Darui; Zhang, Zheng-Feng","SiP-heterocycles derived from a bulky phosphanylsilylene","Chemical Communications","2023","","","","","10.1039/D3CC02512H","","","1.34138","GaKα","","0.1517","0.0837","","","0.1914","0.2414","","","","","","0.972","","","","has coordinates","285296","2023-07-20","21:55:34",""
"7131934","9.4361","0.0003","17.0463","0.001","20.2087","0.0009","90","","90","","90","","3250.6","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 Br2 N2 O4 -","- C38 H32 Br2 N2 O4 -","- C152 H128 Br8 N8 O16 -","4","1","","Tsuchiya, Takahiro; Hamano, Tomohiro; Inoue, Masahiro; Nakamura, Tomoya; Wakamiya, Atsushi; Mazaki, Yasuhiro","Intense Absorption of Azulene Realized by Molecular Orbital Inversion","Chemical Communications","2023","","","","","10.1039/D3CC02311G","","","1.54184","CuKα","","0.0581","0.0451","","","0.1091","0.1137","","","","","","1.056","","","","has coordinates","285354","2023-07-26","22:00:35",""
"7132022","8.4673","0.0003","11.7335","0.0006","28.0005","0.0009","90","","90","","90","","2781.88","0.19","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H0.25 F4 N4 O6 -","- C32 H9 F4 N4 O6 -","- C128 H36 F16 N16 O24 -","4","1","","Ma, Mingfang; Dong, Liuyang; Luo, Bo; Hao, Aiyou; Xing, Pengyao","V-shaped chiral hosts based on π-extended hematoxylin","Chemical Communications","2023","","","","","10.1039/D3CC03631F","","x-ray","1.54184","CuKα","","0.1581","0.141","","","0.3637","0.3817","","","","","","1.53","","","","has coordinates","285790","2023-08-16","21:58:14",""
"7132032","7.2696","0.0004","19.8223","0.0011","20.351","0.0011","90","","90","","90","","2932.6","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Cl2 O6 -","- C36 H26 Cl2 O6 -","- C144 H104 Cl8 O24 -","4","1","","Shi, Minglin; Xie, Mo; Wan, Shigang; Zou, Chao; Liu, Yuliang; Zhou, Xinyan; Yang, Peng; Chang, Xiaoyong; Lu, Wei","Circularly polarized chemiluminescence from planarly chiral bis(adamantylidene-1,2-dioxetane)s","Chemical Communications","2023","","","","","10.1039/D3CC03389A","","x-ray","1.54178","CuKα","","0.0287","0.0281","","","0.0728","0.0732","","","","","","1.029","","","","has coordinates","285805","2023-08-17","21:57:19",""
"7132038","10.9207","0.0002","12.9359","0.0002","30.771","0.0006","90","","90","","90","","4346.99","0.13","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H44 Cl4 O Os P2 -","- C49 H44 Cl4 O Os P2 -","- C196 H176 Cl16 O4 Os4 P8 -","4","1","","Fu, Bingjie; Bai, Wei; Zhao, Yue; Yang, Li; Jiang, Wen-Feng","Fused Metallacyclopropenes from Alkynylphenols","Chemical Communications","2023","","","","","10.1039/D3CC03084A","","","0.71073","MoKα","","0.0238","0.0208","","","0.0447","0.0458","","","","","","1.01","","","","has coordinates","285832","2023-08-22","21:57:50",""
"7132044","5.8734","0.0003","15.4556","0.0007","17.6587","0.0007","90","","90","","90","","1603","0.13","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Hazra, Arijit; Ghosh, Asit; Yadav, Neeraj; Banerjee, Prabal","Organocatalytic (3+3)-cycloaddition of ortho-substituted phenyl nitrones with aryl cyclopropane carbaldehydes: A facile access towards the synthesis of enantioenriched 1,2-oxazinanes","Chemical Communications","2023","","","","","10.1039/D3CC02877A","","x-ray","0.71073","MoKα","","0.0444","0.036","","","0.0859","0.0908","","","","","","1.087","","","","has coordinates","285848","2023-08-23","21:55:52",""
"7132054","5.2038","0.0007","13.8139","0.0017","21.853","0.003","90","","90","","90","","1570.9","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 S -","- C17 H15 N O4 S -","- C68 H60 N4 O16 S4 -","4","1","","Khandelia, Tamanna; Ghosh, Subhendu; Panigrahi, Pritishree; Mandal, Raju; Boruah, Deepjyoti; Patel, Bhisma K.","Photo-induced 1,2-thiohydroxylation of maleimide involving disulfide and singlet oxygen","Chemical Communications","2023","","","","","10.1039/D3CC03296E","","","0.71073","MoKα","","0.1223","0.0594","","","0.1401","0.1804","","","","","","0.895","","","","has coordinates","285861","2023-08-24","21:56:16",""
"7132076","6.1673","0.0015","15.976","0.004","16.479","0.004","90","","90","","90","","1623.7","0.7","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Br N O3 -","- C20 H14 Br N O3 -","- C80 H56 Br4 N4 O12 -","4","1","","Wei, Qing-Yi; Zhou, Ze; Yao, Meng-Lian; Liu, Jikai; Wu, Bin; Yang, Jin-Ming","Rhodium(III)-Catalyzed Intermolecular [3+3] Annulation of Benzoxazines with Quinone Compounds: Access to Spiro-Heterocyclic Scaffolds","Chemical Communications","2023","","","","","10.1039/D3CC03609J","","x-ray","1.34139","Synchrotron","GaKα","0.0416","0.0403","","","0.0978","0.0988","","","","","","1.091","","","","has coordinates","285931","2023-08-31","21:58:43",""
"7132086","13.0958","0.0019","22.198","0.003","27.902","0.003","90","","90","","90","","8111.1","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C112 H90 N2 O4 -","- C112 H90 N2 O4 -","- C448 H360 N8 O16 -","4","1","","Soldner, Simon; Anhalt, Olga; Sárosi, Menyhárt B.; Stolte, Matthias; Wuerthner, Frank","Donor-acceptor complex formation by social self-sorting of polycyclic aromatic hydrocarbons and perylene bisimides","Chemical Communications","2023","","","","","10.1039/D3CC03704E","","","1.54178","CuKα","","0.0372","0.0356","","","0.0975","0.099","","","","","","1.048","","","","has coordinates,has disorder","285935","2023-08-31","22:02:56",""
"7132138","10.182","0.0006","10.2729","0.0006","19.3413","0.0012","90","","90","","90","","2023.1","0.2","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Br N3 O3 -","- C23 H18 Br N3 O3 -","- C92 H72 Br4 N12 O12 -","4","1","","Biswas, Subhankar; Purkayastha, Siddhartha Kumar; Guha, Ankur Kanti; Pan, Subhas Chandra","Sequential Organo and Metal Catalyzed Reaction Between 3-Pyrrolyloxindoles and Linear Nitroenynes: Access to Cyclic Aza-Spirooxindoles","Chemical Communications","2023","","","","","10.1039/D3CC03713D","","","0.71073","MoKα","","0.0255","0.0228","","","0.0585","0.0604","","","","","","1.013","","","","has coordinates","286356","2023-09-15","21:55:14",""
"7132162","12.2849","0.0002","14.4216","0.0002","16.579","0.0002","90","","90","","90","","2937.27","0.07","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-trans","","- C9.538 H12 N2.154 O0.923 -","- C9.53846 H12 N2.15385 O0.923077 -","- C124 H156 N28 O12 -","13","3.25","","Xiong, Shenglun; Zhang, Yi; Jiang, Yunqi; Wang, Fei; Zhou, Wei; Li, Aimin; Zhang, Qinpeng; Wang, Qiuan; He, Qing","Photo–Controllable Binding and Release of HP2O73– Using an Azobenzene based Smart Macrocycle","Chemical Communications","2023","","","","","10.1039/D3CC03608A","","x-ray","1.54184","CuKα","","0.0397","0.037","","","0.0943","0.0963","","","","","","1.0494","","","","has coordinates","286604","2023-09-30","21:55:08",""
"7132174","7.5387","0.0003","13.4947","0.0006","30.0141","0.0012","90","","90","","90","","3053.4","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N O5 S Si -","- C30 H41 N O5 S Si -","- C120 H164 N4 O20 S4 Si4 -","4","1","","Zhong, Lei; Wang, Qunliang; Wang, Yujuan; Cheng, Yiyang; Xiong, Yimeng; Peng, Haibo; Zhou, Zhen; He, Yun; Dai, Yuanwei","Facile and Stereospecific Synthesis of Diverse β-N-Glycosyl Sulfonamide Scaffolds via Palladium Catalysis","Chemical Communications","2023","","","","","10.1039/D3CC04063A","","x-ray","0.71073","MoKα","","0.0799","0.0515","","","0.109","0.1242","","","","","","1.035","","","","has coordinates","286654","2023-10-04","21:54:15",""
"7132190","7.3605","0.0004","12.2746","0.0004","12.3726","0.0003","90","","90","","90","","1117.83","0.08","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Br N -","- C13 H10 Br N -","- C52 H40 Br4 N4 -","4","1","","Ahsan, Mollah Rohan; Singh, Lavanya; Varma, Harshit; Mukherjee, Arijit","Exploiting benzilic acid as a modular template: controlling photoreactivity and solid to liquid transition during photodimerization.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04257j","","x-ray","1.54184","CuKα","","0.0683","0.0554","","","0.1695","0.1832","","","","","","1.081","","","","has coordinates","286850","2023-10-09","21:56:34",""
"7132244","7.1853","0.0002","15.9545","0.0005","16.808","0.0005","90","","90","","90","","1926.83","0.1","300","","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 B4 F8 N10 -","- C36 H34 B4 F8 N10 -","- C72 H68 B8 F16 N20 -","2","0.5","","Sun, Yingzhu; Yu, Changjiang; Qian, Wanping; Zhang, Hong-Tao; Jiao, Lijuan; Li, Jiazhu; Liu, Minghua; Hao, Erhong","Dynamically Stable co-Assembled Supramolecular BOPPY Systems with Chiral Amplification","Chemical Communications","2023","","","","","10.1039/D3CC04727J","","","1.54178","CuKα","","0.0495","0.047","","","0.1158","0.1182","","","","","","1.1","","","","has coordinates","287074","2023-10-23","21:56:03",""
"7132245","7.1889","0.0007","15.9463","0.0016","16.8015","0.0015","90","","90","","90","","1926.1","0.3","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 B2 F4 N5 -","- C18 H17 B2 F4 N5 -","- C72 H68 B8 F16 N20 -","4","1","","Sun, Yingzhu; Yu, Changjiang; Qian, Wanping; Zhang, Hong-Tao; Jiao, Lijuan; Li, Jiazhu; Liu, Minghua; Hao, Erhong","Dynamically Stable co-Assembled Supramolecular BOPPY Systems with Chiral Amplification","Chemical Communications","2023","","","","","10.1039/D3CC04727J","","","1.54178","CuKα","","0.0789","0.0553","","","0.1336","0.1504","","","","","","0.954","","","","has coordinates","287074","2023-10-23","21:56:04",""
"7132273","9.7339","0.0016","12.884","0.002","20.882","0.004","90","","90","","90","","2618.8","0.8","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","HL2","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C120 H144 N8 O8 -","4","1","","Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran","Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy","Chemical Communications","2023","","","","","10.1039/D3CC04519F","","","0.71073","MoKα","","0.05","0.0412","","","0.0969","0.1034","","","","","","1.061","","","","has coordinates","287145","2023-10-27","21:55:36",""
"7132291","7.3743","0.0001","15.0097","0.0002","15.6382","0.0002","90","","90","","90","","1730.93","0.04","104.6","0.14","104.6","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Reddy, Mandapati Bhargava; McGarrigle, Eoghan M.","Visible-light-induced bifunctionalisation of (homo)propargylic amines with CO<sub>2</sub> and arylsulfinates.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc04160c","","x-ray","1.54184","CuKα","","0.0293","0.027","","","0.0682","0.0703","","","","","","1.064","","","","has coordinates","287176","2023-10-31","23:00:03",""
"7132309","10.29438","0.00006","15.4304","0.00008","23.74742","0.00011","90","","90","","90","","3772.19","0.03","100","0.2","100","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40.89 H48.89 Cl0.11 Cu N2 O1.78 P2 -","- C40.891 H48.891 Cl0.109 Cu N2 O1.782 P2 -","- C163.564 H195.564 Cl0.436 Cu4 N8 O7.128 P8 -","4","1","","Grasruck, Alexander; Parla, Giorgio; Lou, Lisha; Langer, Jens; Neiß, Christian; Herrera, Alberto; Frieß, Sybille; Görling, Andreas; Schmid, Günter; Dorta, Romano","Trapping of soluble, KCl-stabilized Cu(I) hydrides with CO<sub>2</sub> gives crystalline formates.","Chemical communications (Cambridge, England)","2023","","","","","10.1039/d3cc03033d","","x-ray","1.54184","CuKα","","0.0319","0.0317","","","0.0827","0.0829","","","","","","1.028","","","","has coordinates,has disorder","287472","2023-11-07","22:58:27",""
"7132391","10.11185","0.00014","13.81714","0.00017","15.0875","0.0002","90","","90","","90","","2107.98","0.05","220","0.1","220","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Br N3 O3 -","- C24 H18 Br N3 O3 -","- C96 H72 Br4 N12 O12 -","4","1","","Chen, Xiangjie; Zhao, Yujie; Huang, Cheng; Zhao, Zhifei; Zhao, Weiwei; Li, Shi-Wu","Catalytic asymmetric conjugate addition of coumarins to unsaturated ketones catalyzed by a chiral-at-metal Rh(III) complex.","Chemical communications (Cambridge, England)","2023","60","2","236","239","10.1039/d3cc04726a","","x-ray","1.54184","CuKα","","0.0304","0.0281","","","0.0694","0.0707","","","","","","1.037","","","","has coordinates","289352","2024-02-04","11:11:46",""
"7132419","11.0151","0.0001","20.2686","0.0001","24.6766","0.0002","90","","90","","90","","5509.31","0.07","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H78 Mo3 N2 S4 U -","- C59 H78 Mo3 N2 S4 U -","- C236 H312 Mo12 N8 S16 U4 -","4","1","","Patra, Kamaless; Brennessel, William W.; Matson, Ellen M.","Molybdenum sulphide clusters as redox-active supports for low-valent uranium.","Chemical communications (Cambridge, England)","2024","60","5","530","533","10.1039/d3cc05561b","","x-ray","1.54184","CuKα","","0.0403","0.0379","","","0.0922","0.0933","","","","","","1.11","","","","has coordinates","289342","2024-02-04","11:08:40",""
"7132460","8.41567","0.00015","11.8302","0.0003","18.4063","0.0003","90","","90","","90","","1832.51","0.06","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C88 H88 O24 -","4","1","","Liu, Zi-Hao; Xiao, Jian; Zhai, Qian-Qian; Tang, Xi; Xu, Li-Jun; Zhuang, Zhi-Yuan; Wang, Ya-Wen; Peng, Yu","Intramolecular Ni-catalyzed reductive coupling enables enantiodivergent synthesis of linoxepin.","Chemical communications (Cambridge, England)","2024","60","6","694","697","10.1039/d3cc05312a","","x-ray","1.54184","CuKα","","0.037","0.0339","","","0.085","0.087","","","","","","1.069","","","","has coordinates","289360","2024-02-04","11:14:58",""
"7132461","7.60702","0.00016","8.8987","0.0002","25.627","0.0006","90","","90","","90","","1734.76","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O6 -","- C21 H18 O6 -","- C84 H72 O24 -","4","1","","Liu, Zi-Hao; Xiao, Jian; Zhai, Qian-Qian; Tang, Xi; Xu, Li-Jun; Zhuang, Zhi-Yuan; Wang, Ya-Wen; Peng, Yu","Intramolecular Ni-catalyzed reductive coupling enables enantiodivergent synthesis of linoxepin.","Chemical communications (Cambridge, England)","2024","60","6","694","697","10.1039/d3cc05312a","","","1.54184","CuKα","","0.0328","0.0311","","","0.0812","0.0826","","","","","","1.052","","","","has coordinates","289360","2024-02-04","11:14:58",""
"7132486","9.2858","0.0006","10.8685","0.0007","27.6229","0.0017","90","","90","","90","","2787.8","0.3","300","","300","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 N2 O6 -","- C34 H28 N2 O6 -","- C136 H112 N8 O24 -","4","1","","Zhang, Xuan; Song, Xiaoxiao; Ni, Qijian","Organocatalytic regio- and enantioselective C1-arylation of β,γ-alkynyl-α-imino esters with pyrrolo[2,1-<i>a</i>]isoquinolines.","Chemical communications (Cambridge, England)","2024","60","7","831","834","10.1039/d3cc04946a","","x-ray","1.54178","CuKα","","0.047","0.043","","","0.109","0.1124","","","","","","1.058","","","","has coordinates","289364","2024-02-04","11:16:13",""
"7132503","7.0262","0.0011","9.2338","0.0014","24.1","0.004","90","","90","","90","","1563.6","0.4","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br N2 O -","- C18 H13 Br N2 O -","- C72 H52 Br4 N8 O4 -","4","1","","Ishida, Moeka; Adachi, Rina; Kobayashi, Kazuki; Yamamoto, Yukiko; Kawahara, Chinatsu; Yamada, Tsuyoshi; Aoyama, Hiroshi; Kanomata, Kyohei; Akai, Shuji; Lam, Patrick Y. S.; Sajiki, Hironao; Ikawa, Takashi","First atroposelective Chan-Lam coupling for the synthesis of C-N linked biaryls.","Chemical communications (Cambridge, England)","2024","60","6","678","681","10.1039/d3cc05447k","","","0.71075","MoKα","","0.0309","0.0277","","","0.0539","0.0543","","","","","","0.922","","","","has coordinates","289354","2024-02-04","11:12:16",""
"7132517","18.1842","0.0001","22.1675","0.0001","24.5607","0.0001","90","","90","","90","","9900.38","0.08","123","0.1","123","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C103 H144 K2 Mg2 N4 O3 -","- C103 H144 K2 Mg2 N4 O3 -","- C412 H576 K8 Mg8 N16 O12 -","4","1","","Mondal, Rahul; Evans, Matthew J.; Nguyen, Dat T.; Rajeshkumar, Thayalan; Maron, Laurent; Jones, Cameron","Steric control of Mg-Mg bond formation <i>vs.</i> N<sub>2</sub> activation in the reduction of bulky magnesium diamide complexes.","Chemical communications (Cambridge, England)","2024","60","8","1016","1019","10.1039/d3cc05787a","","x-ray","1.54184","CuKα","","0.0464","0.0438","","","0.1225","0.1266","","","","","","1.057","","","","has coordinates,has disorder","289333","2024-02-04","11:05:45",""
"7132571","10.2093","0.0005","12.452","0.0006","14.4031","0.0006","90","","90","","90","","1831.01","0.15","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","","Nakate, Ashwini K.; Kataria, Priyanka; Sambherao, Pooja I.; Krishna, Gamidi Rama; Kontham, Ravindar","Divergent access to polycyclic spiro- and fused-<i>N</i>,O-ketals through Bi(OTf)<sub>3</sub>-catalyzed [4+2]-annulation of cyclic <i>N</i>-sulfonyl ketimines and alkynols.","Chemical communications (Cambridge, England)","2024","60","9","1144","1147","10.1039/d3cc05599j","","","1.54178","CuKα","","0.0342","0.0341","","","0.0872","0.0874","","","","","","1.067","","","","has coordinates","289376","2024-02-04","11:20:38",""
"7132574","7.5575","0.0006","12.6622","0.0011","25.9109","0.0019","90","","90","","90","","2479.5","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O4 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Xie, Xiang-Qi; Li, Xingguang; Liu, Pei-Nian","Enantioselective synthesis of spiro-<i>N</i>,<i>O</i>-ketals <i>via</i> iridium and Brønsted acid co-catalyzed asymmetric formal [4+2] cycloaddition.","Chemical communications (Cambridge, England)","2024","60","11","1448","1451","10.1039/d3cc05923e","","","1.54178","CuKα","","0.1003","0.0964","","","0.2855","0.2943","","","","","","1.264","","","","has coordinates","289385","2024-02-04","11:23:18",""
"7132575","8.9352","0.0006","9.9706","0.0007","26.0378","0.0018","90","","90","","90","","2319.7","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O4 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Xie, Xiang-Qi; Li, Xingguang; Liu, Pei-Nian","Enantioselective synthesis of spiro-<i>N</i>,<i>O</i>-ketals <i>via</i> iridium and Brønsted acid co-catalyzed asymmetric formal [4+2] cycloaddition.","Chemical communications (Cambridge, England)","2024","60","11","1448","1451","10.1039/d3cc05923e","","","1.54178","CuKα","","0.0516","0.0502","","","0.155","0.1567","","","","","","1.081","","","","has coordinates","289385","2024-02-04","11:23:18",""
"7132577","16.082","0.004","17.555","0.005","17.564","0.005","90","","90","","90","","4959","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H46 N6 O5 -","- C48 H42 N6 O5 -","- C192 H168 N24 O20 -","4","1","","Hokimoto, Yuya; Nakamura, Takashi","Synthesis of a macrocyclic oligomer of pyridylbenzoxazole utilizing dynamic covalent bonds and its unsymmetric conversion.","Chemical communications (Cambridge, England)","2024","60","10","1281","1284","10.1039/d3cc06216c","","","0.71073","MoKα","","0.1963","0.1644","","","0.365","0.3766","","","","","","2.44","","","","has coordinates","289315","2024-02-04","10:59:31",""
"7132586","11.1123","0.0004","11.2096","0.0004","24.9678","0.0009","90","","90","","90","","3110.1","0.19","100.15","","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(3-(ammonio(phenyl)methyl)cyclohexyl)morpholin-4-ium bis-(4-methylphenylsulfonate)","","- C31 H42 N2 O7 S2 -","- C31 H42 N2 O7 S2 -","- C124 H168 N8 O28 S8 -","4","1","","Ho, An T.; Vanable, Evan P.; Miguel, Chelsea San; Hull, Kami L.","Iridium-catalysed hydroamination of internal homoallylic amines.","Chemical communications (Cambridge, England)","2024","60","12","1615","1618","10.1039/d3cc05594a","","","0.71073","MoKα","","0.0292","0.0275","","","0.0723","0.0737","","","","","","1.035","","","","has coordinates","290107","2024-03-04","19:55:41",""
"7132592","10.5361","0.0001","17.81","0.0002","26.2442","0.0003","90","","90","","90","","4924.67","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N3 O4 S -","- C26 H25 N3 O4 S -","- C208 H200 N24 O32 S8 -","8","2","","Tang, Yi; Zhang, Rulei; Dong, Yujie; Yu, Songcheng; Wu, Yongjun; Xiao, Yumei; Guo, Hongchao","4-Vinylbenzodioxinones as a new type of precursor for palladium-catalyzed (4+3) cycloaddition of azomethine imines.","Chemical communications (Cambridge, England)","2024","60","11","1436","1439","10.1039/d3cc06012h","","x-ray","1.54184","CuKα","","0.0558","0.0445","","","0.1235","0.1342","","","","","","1.026","","","","has coordinates","289381","2024-02-04","11:22:39",""
"7132594","9.7941","0.0009","11.2385","0.0011","23.348","0.002","90","","90","","90","","2569.9","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O3 S -","- C27 H30 N2 O3 S -","- C108 H120 N8 O12 S4 -","4","1","","Cui, Chen-Chang; Lin, Feng; Wang, Lu-Yao; Liu, Yin-Ping; Tu, Shu-Jiang; Tu, Man-Su; Hao, Wen-Juan; Jiang, Bo","Olefin skeletal rearrangement enabling access to multiarylated <i>N</i>-sulfonyl amidines.","Chemical communications (Cambridge, England)","2024","60","11","1492","1495","10.1039/d3cc05977d","","","0.71073","MoKα","","0.0959","0.063","","","0.1617","0.1919","","","","","","1.074","","","","has coordinates","289380","2024-02-04","11:22:23",""
"7132600","19.4723","0.0001","23.1794","0.0001","24.8889","0.0001","90","","90","","90","","11233.8","0.09","123","0.1","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C108 H152 B6 Cl6 N12 O2 Si2 -","- C108 H152 B6 Cl6 N12 O2 Si2 -","- C432 H608 B24 Cl24 N48 O8 Si8 -","4","1","","Guthardt, Robin; Jones, Cameron","A bromo(boryloxy) silylene and its heavier analogues.","Chemical communications (Cambridge, England)","2024","60","12","1583","1586","10.1039/d3cc05760g","","","1.54184","CuKα","","0.0477","0.0442","","","0.1175","0.12","","","","","","1.061","","","","has coordinates,has disorder","290108","2024-03-04","19:56:36",""
"7132602","19.5876","0.0001","23.2994","0.0001","24.9438","0.0001","90","","90","","90","","11383.8","0.09","123","0.1","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C108 H152 B6 Br6 N12 O2 Si2 -","- C108 H152 B6 Br6 N12 O2 Si2 -","- C432 H608 B24 Br24 N48 O8 Si8 -","4","1","","Guthardt, Robin; Jones, Cameron","A bromo(boryloxy) silylene and its heavier analogues.","Chemical communications (Cambridge, England)","2024","60","12","1583","1586","10.1039/d3cc05760g","","","1.54184","CuKα","","0.0358","0.0349","","","0.0958","0.0967","","","","","","1.036","","","","has coordinates,has disorder","290108","2024-03-04","19:56:36",""
"7132626","3.8378","0.0002","8.6367","0.0005","29.4303","0.0019","90","","90","","90","","975.49","0.1","185","","185","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2.6 H1.8 N0.2 O0.6 -","- C2.6 H1.8 N0.2 O0.6 -","- C52 H36 N4 O12 -","20","5","","Chand, Tapasi; Gupta, Princi; Oza, Nehali; Kapur, Manmohan","Cobalt(II)-catalyzed <i>peri</i>-C(sp<sup>2</sup>)-H selective hydroxylation of naphthalene monoimides.","Chemical communications (Cambridge, England)","2024","60","13","1770","1773","10.1039/d3cc06050k","","","1.54178","CuKα","","0.0529","0.0491","","","0.1361","0.139","","","","","","1.0463","","","","has coordinates","290090","2024-03-04","19:50:08",""
"7132668","10.2222","0.0003","10.4342","0.0004","27.3088","0.0011","90","","90","","90","","2912.77","0.18","180","","180","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 Cl2 N2 O4 -","- C32 H34 Cl2 N2 O4 -","- C128 H136 Cl8 N8 O16 -","4","1","","Qiu, Xujun; Seibert, Jasmin; Fuhr, Olaf; Biedermann, Frank; Bräse, Stefan","Reversing the stereoselectivity of intramolecular [2+2] photocycloaddition utilizing cucurbit[8]uril as a molecular flask.","Chemical communications (Cambridge, England)","2024","60","24","3267","3270","10.1039/d3cc05783f","","x-ray","1.34143","GaKα","","0.071","0.0692","","","0.1833","0.185","","","","","","1.041","","","","has coordinates","290810","2024-04-04","22:27:50",""
"7132688","6.2987","0.0004","7.8754","0.0005","36.641","0.002","90","","90","","90","","1817.57","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","md_zxj4","","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C92 H72 N8 O4 -","4","1","","Wang, Mingxu; Gao, Ying; Zhao, Xiao-Jing; Gao, Lu; He, Yonghui","Electrochemical multicomponent [2+2+1] cascade cyclization of enaminones and primary amines towards the synthesis of 4-acylimidazoles.","Chemical communications (Cambridge, England)","2024","60","19","2677","2680","10.1039/d3cc06196e","","","1.54178","CuKα","","0.08","0.0706","","","0.2053","0.2108","","","","","","1.096","","","","has coordinates","290079","2024-03-04","19:47:24",""
"7132691","8.733","0.003","16.125","0.007","16.631","0.007","90","","90","","90","","2342","1.6","299","2","299","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H21 F O -","- C33 H21 F O -","- C132 H84 F4 O4 -","4","1","","Hore, Soumyadip; Singh, Abhijeet; Singh, Ravi P.","Asymmetric 1,2-diaxial synthesis of bi-(hetero)aryl benzofulvene atropisomers <i>via</i> transient directing group-assisted dehydrogenative coupling.","Chemical communications (Cambridge, England)","2024","60","18","2524","2527","10.1039/d3cc06011j","","","0.71073","MoKα","","0.0942","0.0434","","","0.0952","0.1175","","","","","","1.004","","","","has coordinates","290101","2024-03-04","19:53:57",""
"7132768","5.5787","0.0005","13.2751","0.0009","27.4431","0.0018","90","","90","","90","","2032.4","0.3","193","2","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 Cl3 N O2 -","- C23 H18 Cl3 N O2 -","- C92 H72 Cl12 N4 O8 -","4","1","","Wei, Jian; Du, Zhongjian; Wang, Xu; Ji, Chenlei; Li, Longji; You, Yang'en","Palladium-catalyzed enantioselective arylation of trichloro- or tri-/difluoroacetaldimine precursors.","Chemical communications (Cambridge, England)","2024","60","24","3303","3306","10.1039/d4cc00022f","","","0.71073","MoKα","","0.0527","0.0402","","","0.0711","0.0775","","","","","","1.084","","","","has coordinates","290813","2024-04-04","22:28:43",""
"7132800","8.2405","0.0001","13.6044","0.0003","25.8384","0.0005","90","","90","","90","","2896.67","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 F3 N3 O2 -","- C33 H28 F3 N3 O2 -","- C132 H112 F12 N12 O8 -","4","1","","Wang, Lan; Lu, Mengxi; Li, Kuan; Yang, Sen; Wang, Lei; Guo, Hongchao","Palladium-catalyzed enantioselective umpolung allylation of amido-tethered allylic carbonates with isatin-derived ketimines.","Chemical communications (Cambridge, England)","2024","60","27","3729","3732","10.1039/d4cc00060a","","x-ray","1.54184","CuKα","","0.0519","0.0459","","","0.1222","0.1293","","","","","","1.037","","","","has coordinates","290816","2024-04-04","22:30:28",""
"7132803","7.1586","0.0008","11.9651","0.0014","18.845","0.002","90","","90","","90","","1614.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O2 -","- C19 H17 Br O2 -","- C76 H68 Br4 O8 -","4","1","","Li, Zheyao; Zhang, Huiwen; Zhao, Lin; Ma, Yueyue; Wu, Qiufang; Ren, Haosong; Lin, Zhongren; Zheng, Jun; Yu, Xinhong","Metal-free β,γ-C(sp<sup>3</sup>)-H difunctionalization of propanols: DMP-initiated asymmetric spirocyclopropanation.","Chemical communications (Cambridge, England)","2024","60","26","3579","3582","10.1039/d4cc00116h","","","0.71073","MoKα","","0.0708","0.0446","","","0.0886","0.0981","","","","","","1.01","","","","has coordinates","291530","2024-05-05","01:01:35",""
"7132817","7.6345","0.0001","9.6295","0.0001","20.4737","0.0002","90","","90","","90","","1505.15","0.03","150","0.2","150","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cl N O -","- C17 H18 Cl N O -","- C68 H72 Cl4 N4 O4 -","4","1","","Campbell, Aaron D. G.; Roper, Natalie J.; Waddell, Paul G.; Wills, Corinne; Dixon, Casey M.; Denton, Ross M.; Ermanis, Kristaps; Armstrong, Roly J.","Synthesis, structure and stereodynamics of atropisomeric <i>N</i>-chloroamides.","Chemical communications (Cambridge, England)","2024","60","28","3818","3821","10.1039/d4cc00268g","","x-ray","1.54184","CuKα","","0.0259","0.0252","","","0.0649","0.0654","","","","","","1.046","","","","has coordinates","290802","2024-04-04","22:26:15",""
"7132844","8.1213","0.0007","11.1938","0.0009","13.6325","0.0011","90","","90","","90","","1239.31","0.18","298","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C56 H44 N12 O8 -","4","1","","Bhattacharjee, Suvam; Hajra, Alakananda","Site-selective direct nitration of 2<i>H</i>-indazoles: easy access to 7-nitroindazoles.","Chemical communications (Cambridge, England)","2024","60","30","4076","4079","10.1039/d4cc00214h","","","0.71073","MoKα","","0.0318","0.03","","","0.0761","0.0781","","","","","","1.093","","","","has coordinates","291534","2024-05-05","01:04:06",""
"7132862","9.236","0.0004","12.542","0.0004","29.3792","0.001","90","","90","","90","","3403.2","0.2","295","5","295","5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H45 F11 O2 -","- C33 H45 F11 O2 -","- C132 H180 F44 O8 -","4","1","","Jiang, Huan-Huan; Zhang, Nan; Mao, Wei-Xin; Lan, Jin-Fei; Zhou, Long-Xing; Xu, Hua-Ming; Zhang, Han-Yue; Liao, Wei-Qiang","Modulating the ferroelectric phases in cholesteryl-based organic compounds with perfluoroalkyl tail engineering.","Chemical communications (Cambridge, England)","2024","60","32","4322","4325","10.1039/d4cc00840e","","x-ray","1.54184","CuKα","","0.0952","0.0817","","","0.2499","0.2702","","","","","","1.057","","","","has coordinates,has disorder","291523","2024-05-05","00:57:19",""
"7132890","6.372","0.0006","21.111","0.002","17.2221","0.0017","90","","90","","90","","2316.7","0.4","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","17b-hydroxy-5a-androstan-3-one","","- C24 H41 N O4 -","- C24 H41 N O4 -","- C96 H164 N4 O16 -","4","1","","Liu, Ruzhang; Wang, Juan; Wu, Hao; Quan, Xianfeng; Wang, Shilin; Guo, Jiandong; Wang, Yang; Li, Heting","Stereocontrol in an intermolecular Schmidt reaction of equilibrating hydroxyalkyl allylic azides.","Chemical communications (Cambridge, England)","2024","60","32","4362","4365","10.1039/d4cc00907j","","","0.71073","MoKα","","0.2102","0.0612","","","0.0916","0.1196","","","","","","0.977","","","","has coordinates","291518","2024-05-05","00:53:49",""
"7132892","10.4856","0.0019","14.332","0.002","14.635","0.002","90","","90","","90","","2199.3","0.6","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H39 N O3 -","- C24 H39 N O3 -","- C96 H156 N4 O12 -","4","1","","Liu, Ruzhang; Wang, Juan; Wu, Hao; Quan, Xianfeng; Wang, Shilin; Guo, Jiandong; Wang, Yang; Li, Heting","Stereocontrol in an intermolecular Schmidt reaction of equilibrating hydroxyalkyl allylic azides.","Chemical communications (Cambridge, England)","2024","60","32","4362","4365","10.1039/d4cc00907j","","","0.71073","MoKα","","0.1041","0.051","","","0.0946","0.1096","","","","","","1.022","","","","has coordinates","291518","2024-05-05","00:53:49",""
"7132900","4.5044","0.0001","12.6636","0.0005","19.6473","0.0008","90","","90","","90","","1120.72","0.07","99.98","0.1","99.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H10 N2 -","- C17 H10 N2 -","- C68 H40 N8 -","4","1","","Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung","Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.","Chemical communications (Cambridge, England)","2024","60","32","4294","4297","10.1039/d4cc00113c","","x-ray","1.54184","CuKα","","0.0594","0.0554","","","0.1506","0.153","","","","","","1.12","","","","has coordinates","291519","2024-05-05","00:54:23",""
"7132902","5.7818","0.0001","12.8402","0.0003","21.6872","0.0005","90","","90","","90","","1610.05","0.06","99.98","0.1","99.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H14 N2 -","- C25 H14 N2 -","- C100 H56 N8 -","4","1","","Sadaphal, Vikas Ashokrao; Wu, Tien-Lin; Liu, Rai-Shung","Synthesis of two nitrogen-containing polyaromatic compounds through gold catalysis/DBU-promoted cyclizations.","Chemical communications (Cambridge, England)","2024","60","32","4294","4297","10.1039/d4cc00113c","","x-ray","1.54184","CuKα","","0.0463","0.0404","","","0.1029","0.1062","","","","","","1.045","","","","has coordinates","291519","2024-05-05","00:54:24",""
"7132915","3.741","","17.187","","18.371","","90","","90","","90","","1181.19","","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H5.5 N1.5 O0.5 -","- C8 H5.5 N1.5 O0.5 -","- C64 H44 N12 O4 -","8","2","","Sarkar, Souradip; Bhunya, Sourav; Pan, Subarna; Datta, Arnadeep; Roy, Lisa; Samanta, Rajarshi","Rh(II)-catalysed <i>N</i><sup>2</sup>-selective arylation of benzotriazoles and indazoles using quinoid carbenes <i>via</i> 1,5-H shift.","Chemical communications (Cambridge, England)","2024","60","35","4727","4730","10.1039/d4cc00823e","","","0.71073","MoKα","","0.0672","0.0502","","","0.1206","0.1296","","","","","","1.035","","","","has coordinates","291548","2024-05-05","01:13:35",""
"7133011","12.7061","0.0005","14.0855","0.0004","23.6488","0.001","90","","90","","90","","4232.5","0.3","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C58 H41 N3 -","- C58 H41 N3 -","- C232 H164 N12 -","4","1","","Sharma, Priyank Kumar; Jana, Palash; Bandyopadhyay, Subhajit; Das, Soumyajit","Cyano disubstituted tetrabenzoindeno[2,1-a]fluorene: open-shell or closed-shell?","Chemical Communications","2024","","","","","10.1039/D4CC00683F","","x-ray","0.71073","MoKα","","0.0447","0.0384","","","0.0921","0.0961","","","","","","1.041","","","","has coordinates","291751","2024-05-07","21:56:03",""
"7133013","7.18006","0.00014","12.9367","0.0002","17.2317","0.0003","90","","90","","90","","1600.59","0.05","109.95","0.1","109.95","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O5 -","- C17 H22 O5 -","- C68 H88 O20 -","4","1","","Jeanmard, Laksamee; Lodovici, Giacomo; George, Ian; Bray, Joshua T. W.; Whitwood, Adrian Charles; Thomas, Gavin; Fairlamb, Ian J. S.; Unsworth, William Paul; Clarke, Paul","Stereoselective synthesis of an advanced trans-decalin intermediate towards the total synthesis of anthracimycin","Chemical Communications","2024","","","","","10.1039/D4CC01738B","","x-ray","1.54184","CuKα","","0.0295","0.0267","","","0.0629","0.0646","","","","","","1.069","","","","has coordinates","291752","2024-05-07","21:56:35",""
"7150003","10.967","0.002","14.024","0.003","16.422","0.003","90","","90","","90","","2525.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N3 O7 -","- C24 H33 N3 O7 -","- C96 H132 N12 O28 -","4","1","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.1221","0.0647","","","0.1538","0.1809","","","","","","0.947","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150004","9.491","0.002","9.73","0.002","28.504","0.006","90","","90","","90","","2632.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 N3 O7 -","- C26 H37 N3 O7 -","- C104 H148 N12 O28 -","4","1","","Kazmaier, Uli; Hebach, Christina; Watzke, Anja; Maier, Sabine; Mues, Heike; Huch, Volker","A straightforward approach towards cyclic peptides via ring-closing metathesis‒scope and limitations.","Organic & biomolecular chemistry","2005","3","1","136","145","10.1039/b411228h","","","0.71073","MoKα","","0.0592","0.0358","","","0.0665","0.0737","","","","","","0.948","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150028","5.5369","0.0004","8.5297","0.0008","27.769","0.003","90","","90","","90","","1311.5","0.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Cobb, Alexander J. A.; Shaw, David M.; Longbottom, Deborah A.; Gold, Johan B.; Ley, Steven V.","Organocatalysis with proline derivatives: improved catalysts for the asymmetric Mannich, nitro-Michael and aldol reactions.","Organic & biomolecular chemistry","2005","3","1","84","96","10.1039/b414742a","","","0.71073","MoKα","","0.0855","0.0649","","","0.1626","0.1726","","","","","","1.17","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150029","6.4273","0.0003","15.6636","0.0008","18.992","0.0009","90","","90","","90","","1912.01","0.16","100","1","100","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 O S -","- C27 H20 O S -","- C108 H80 O4 S4 -","4","1","","ter Wiel, Matthijs K. J.; Vicario, Javier; Davey, Stephen G.; Meetsma, Auke; Feringa, Ben L.","New procedure for the preparation of highly sterically hindered alkenes using a hypervalent iodine reagent.","Organic & biomolecular chemistry","2005","3","1","28","30","","","","0.71073","MoKα","","0.0298","0.0292","","","0.0767","0.0773","","","","","","0.956","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150034","6.6491","0.0004","6.8227","0.0004","25.8973","0.0014","90","","90","","90","","1174.83","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 I O2 -","- C12 H13 I O2 -","- C48 H52 I4 O8 -","4","1","","Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian","Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.","Organic & biomolecular chemistry","2005","3","5","809","815","10.1039/b416179c","","","0.71073","MoKα","","0.0158","0.015","","","0.0336","0.0338","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150035","4.9818","0.0005","9.4157","0.001","37.792","0.004","90","","90","","90","","1772.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Allin, Steven M.; Essat, Munira; Pita, Catarina Horro; Baird, Robert D.; McKee, Vickie; Elsegood, Mark; Edgar, Mark; Andrews, David M.; Shah, Pritom; Aspinall, Ian","Applications of the amino-Cope rearrangement: synthesis of tetrahydropyran, delta-lactone and piperidine targets.","Organic & biomolecular chemistry","2005","3","5","809","815","10.1039/b416179c","","","0.71073","MoKα","","0.0618","0.0432","","","0.0963","0.1036","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150052","7.277","0.003","7.639","0.003","19.94","0.008","90","","90","","90","","1108.4","0.8","168","2","168","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,1'-bibenzotriazole","1,1'-bibenzotriazole","","- C12 H8 N6 -","- C12 H8 N6 -","- C48 H32 N24 -","4","1","","Fitchett, Christopher M.; Richardson, Chris; Steel, Peter J.","Solid state conformations of symmetrical aromatic biheterocycles: an X-ray crystallographic investigation.","Organic & biomolecular chemistry","2005","3","3","498","502","10.1039/b416553e","","","0.71073","MoKα","","0.0781","0.0558","","","0.1233","0.1331","","","","","","1.146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150058","10.113","0.002","10.206","0.002","29.277","0.007","90","","90","","90","","3021.8","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 O2 -","- C40 H36 O2 -","- C160 H144 O8 -","4","1","","Huang, Jin-Wen; Shi, Min","Carbolithiation of gem-aryl disubstituted methylenecyclopropanes.","Organic & biomolecular chemistry","2005","3","3","399","400","10.1039/b417139j","","","0.71073","MoKα","","0.2113","0.0555","","","0.0742","0.1046","","","","","","0.635","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150066","11.48","0.0003","12.8012","0.0004","28.1994","0.0008","90","","90","","90","","4144.1","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 Cu N4 O6 -","- C41 H56 Cu N4 O6 -","- C164 H224 Cu4 N16 O24 -","4","1","","Gottschaldt, Michael; Koth, Daniel; Görls, Helmar","Synthesis and crystal structure of a salen-type copper(II) complex derived from 3,5'-O-dimethyl-2',3'-diamino-2',3'-dideoxy-beta-D-xylo-uridine.","Organic & biomolecular chemistry","2005","3","7","1170","1171","10.1039/b500785b","","","0.71073","MoKα","","0.0775","0.0534","","","0.1039","0.1155","","","","","","1.065","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150067","5.7388","0.0001","9.4909","0.0001","38.243","0.0008","90","","90","","90","","2082.96","0.06","100","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H33 N O6 -","- C19 H33 N O6 -","- C76 H132 N4 O24 -","4","1","","Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam","Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues.","Organic & biomolecular chemistry","2005","3","9","1795","1800","10.1039/b501503k","","x-ray","0.71073","MoKα","","0.0715","0.043","","","0.098","0.1113","","","","","","1.044","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150071","7.609","0.0001","9.789","0.0002","20.1711","0.0005","90","","90","","90","","1502.43","0.05","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(4aR,7R,8S,8aS)-4a,5,6,7,8,8a-Hexahydro-7,8-isopropano-4a- methyl-1,3-dithiolo (4,5-b)(1,4)benzodithiin-2-thione","(4aR,7R,8S,8aS)-4a,5,6,7,8,8a-Hexahydro-7,8-isopropano-4a-methyl-1,3-dithiolo [4,5-b][1,4]benzodithiin-2-thione","","- C13 H16 S5 -","- C13 H16 S5 -","- C52 H64 S20 -","4","1","","Griffiths, Jon-Paul; Nie, Hui; Brown, R. James; Day, Peter; Wallis, John D.","Synthetic strategies to chiral organosulfur donors related to bis(ethylenedithio)tetrathiafulvalene.","Organic & biomolecular chemistry","2005","3","11","2155","2166","10.1039/b502437d","","","0.71073","MoKα","","0.0283","0.0253","","","0.0594","0.0603","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150084","6.1596","0.0006","7.902","0.0008","24.235","0.002","90","","90","","90","","1179.59","0.19","130","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O7 -","- C10 H9 N3 O7 -","- C40 H36 N12 O28 -","4","1","","Fifer, Nathan L.; White, Jonathan M.","Determining the sigma-donor ability of the cyclopropane C-C bond.","Organic & biomolecular chemistry","2005","3","9","1776","1780","10.1039/b503124a","","","0.71073","MoKα","","0.0433","0.0381","","","0.0793","0.0814","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150085","5.225","0.002","15.283","0.009","43.03","0.01","90","","90","","90","","3436","3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H43 N O5 -","- C41 H43 N O5 -","- C164 H172 N4 O20 -","4","1","","Masson, Géraldine; Philouze, Christian; Py, Sandrine","Cis-stereoselective SmI2-promoted reductive coupling of keto-nitrones: first synthesis of 1-epitrehazolamine.","Organic & biomolecular chemistry","2005","3","11","2067","2069","10.1039/b503981a","","","0.71073","MoKα","","0.0481","0.0481","","0.0516","","0.0516","","","1.839","","","1.839","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150087","23.6543","0.0005","30.2367","0.0001","31.2827","0.0006","90","","90","","90","","22374.3","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H82 N30 O31 Pt -","- C50 H56 N30 O31 Pt -","- C600 H672 N360 O372 Pt12 -","12","3","","Jeon, Young Jin; Kim, Soo-Young; Ko, Young Ho; Sakamoto, Shigeru; Yamaguchi, Kentaro; Kim, Kimoon","Novel molecular drug carrier: encapsulation of oxaliplatin in cucurbit[7]uril and its effects on stability and reactivity of the drug.","Organic & biomolecular chemistry","2005","3","11","2122","2125","10.1039/b504487a","","","0.71073","MoKα","","0.1643","0.0827","","","0.1744","0.2162","","","","","","1.04","","","","has coordinates,has disorder","180286","2020-10-21","18:00:00",""
"7150090","5.0426","0.0006","7.6092","0.0007","21.615","0.003","90","","90","","90","","829.37","0.17","293.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Cl N2 O -","- C6 H13 Cl N2 O -","- C24 H52 Cl4 N8 O4 -","4","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.046","","","","0.092","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150091","5.212","0.004","13.5426","0.0008","22.162","0.002","90","","90","","90","","1564.3","1.2","293.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Sakai, Kenichi; Sakurai, Rumiko; Akimoto, Toshio; Hirayama, Noriaki","Molecular mechanism of dielectrically controlled optical resolution (DCR).","Organic & biomolecular chemistry","2005","3","2","360","365","10.1039/b412827c","","","1.5418","CuKα","","","0.056","","","","0.109","","","","","","0.948","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150092","10.7","0.04","13.81","0.05","15.55","0.06","90","","90","","90","","2298","15","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Br K N5 O4 -","- C20 H31 Br K N5 O4 -","- C80 H124 Br4 K4 N20 O16 -","4","1","","Tönshoff, Christina; Merz, Klaus; Bucher, Götz","Azidocryptands-synthesis, structure, and complexation properties.","Organic & biomolecular chemistry","2005","3","2","303","308","10.1039/b413395a","","","0.71073","MoKα","","0.0823","0.0584","","","0.1436","0.1558","","","","","","0.984","","","","has coordinates","180286","2020-10-21","18:00:00",""
"7150097","10.7399","0.0006","12.8444","0.0008","17.6182","0.0011","90","","90","","90","","2430.4","0.3","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O4 P -","- C29 H27 O4 P -","- C116 H108 O16 P4 -","4","1","","Boesen, Thomas; Fox, David J.; Galloway, Warren; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric cyclopropane synthesis via phosphine oxide mediated cascade reactions.","Organic & biomolecular chemistry","2005","3","4","630","637","10.1039/b413500h","","","0.71073","MoKα","","0.1374","0.069","","","0.1201","0.1428","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150123","7.0435","0.0001","16.1734","0.0004","16.3288","0.0004","90","","90","","90","","1860.13","0.07","200","","200","","","","","","","","?","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C72 H120 O24 -","4","1","","Austin, Kerrie A. B.; Banwell, Martin G.; Loong, David T. J.; Rae, A. David; Willis, Anthony C.","A chemoenzymatic total synthesis of the undecenolide (-)-cladospolide B via a mid-stage ring-closing metathesis and a late-stage photo-rearrangement of the E-isomer.","Organic & biomolecular chemistry","2005","3","6","1081","1088","10.1039/b417685e","","","0.71073","MoKα","","0.0431","0.0276","","0.034","0.0297","0.0297","","","","","","1.1307","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150127","6.7991","0.0003","14.3737","0.0007","18.467","0.0008","90","","90","","90","","1804.75","0.14","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 B F4 O3 S -","- C17 H25 B F4 O3 S -","- C68 H100 B4 F16 O12 S4 -","4","1","","Aggarwal, Varinder K.; Hebach, Christina","Carboxylate-stabilised sulfur ylides (thetin salts) in asymmetric epoxidation for the synthesis of glycidic acids. Mechanism and implications.","Organic & biomolecular chemistry","2005","3","8","1419","1427","10.1039/b418740g","","","0.71073","MoKα","","0.0319","0.0292","","","0.0745","0.0761","","","","","","1.028","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7150148","6.622","0.002","8.534","0.002","39.364","0.013","90","","90","","90","","2224.5","1.1","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Methyl 6,7-di(benzoyloxy)-2,2-dimethylperhydro-1,3- benzodioxole-4-carboxylate","Methyl 6,7-di(benzoyloxy)-2,2-dimethylperhydro-1,3-benzodioxole-4-carboxylate","","- C25 H26 O8 -","- C25 H26 O8 -","- C100 H104 O32 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Llamas, Nuria M.; Malone, John F.; O'Dowd, Colin R; Allen, Christopher C. R.","Chemoenzymatic synthesis of carbasugars from iodobenzene.","Organic & biomolecular chemistry","2005","3","10","1953","1963","10.1039/b502009c","","","0.71073","MoKα","","0.2819","0.0963","","","0.1863","0.26","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150153","6.4839","0.0004","12.5501","0.001","13.7734","0.0007","90","","90","","90","","1120.79","0.13","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Cl N2 O3 -","- C10 H15 Cl N2 O3 -","- C40 H60 Cl4 N8 O12 -","4","1","","Duggan, Heather M. E.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of 5/7-, 5/8- and 5/9-bicyclic lactam templates as constraints for external beta-turns.","Organic & biomolecular chemistry","2005","3","12","2287","2295","10.1039/b503014e","","x-ray","0.71073","MoKα","","0.0454","0.0364","","","0.076","0.0802","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150154","6.0476","0.0001","10.1799","0.0003","32.0263","0.0009","90","","90","","90","","1971.67","0.09","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N3 O5 S -","- C20 H21 N3 O5 S -","- C80 H84 N12 O20 S4 -","4","1","","Fox, David J.; Morley, Thomas J.; Taylor, Sarah; Warren, Stuart","Selective five- and six-membered cyclic amine syntheses via capture of episulfonium ions.","Organic & biomolecular chemistry","2005","3","8","1369","1371","10.1039/b503068b","","","0.71073","MoKα","","0.0364","0.0325","","","0.0734","0.076","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150171","16.378","0.0003","27.7666","0.0004","30.3256","0.0005","90","","90","","90","","13790.9","0.4","120","1","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C123 H193.5 O35.5 -","- C124.7 H177.6 O35.6 -","- C498.8 H710.4 O142.4 -","4","1","","Armspach, Dominique; Poorters, Laurent; Matt, Dominique; Benmerad, Belkacem; Balegroune, Fadila; Toupet, Loic","A new approach to A,B-difunctionalisation of cyclodextrins using bulky 1,3-bis[bis(aryl)chloromethyl]benzenes as capping reagents.","Organic & biomolecular chemistry","2005","3","14","2588","2592","10.1039/b504012d","","","0.71073","MoKα","","0.1472","0.0828","","","0.2019","0.2537","","","","","","1.107","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150174","6.565","0.004","8.698","0.005","34.72","0.02","90","","90","","90","","1983","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O6 -","- C22 H26 O6 -","- C88 H104 O24 -","4","1","","Cases, Manuel; Gonzalez-Lopez de Turiso, Felix; Hadjisoteriou, Maria S.; Pattenden, Gerald","Synthetic studies towards furanocembrane diterpenes. A total synthesis of bis-deoxylophotoxin.","Organic & biomolecular chemistry","2005","3","15","2786","2804","10.1039/b504545b","","","0.6861","synchrotron","","0.0982","0.0878","","","0.216","0.222","","","","","","1.09","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150175","10.816","0.002","16.904","0.003","19.35","0.004","90","","90","","90","","3537.8","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C144 H184 N8 O48 -","8","2","","Cases, Manuel; Gonzalez-Lopez de Turiso, Felix; Hadjisoteriou, Maria S.; Pattenden, Gerald","Synthetic studies towards furanocembrane diterpenes. A total synthesis of bis-deoxylophotoxin.","Organic & biomolecular chemistry","2005","3","15","2786","2804","10.1039/b504545b","","","0.71073","MoKα","","0.0647","0.04","","","0.0724","0.0789","","","","","","0.921","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150176","9.408","0.009","11.05","0.01","31.83","0.03","90","","90","","90","","3309","5","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H38 Na2 O14 P -","- C24 H38 Na2 O14 P -","- C96 H152 Na8 O56 P4 -","4","1","","Babu, Ponnusamy; Chopra, D.; Row, T. N. Guru; Maitra, Uday","Micellar aggregates and hydrogels from phosphonobile salts.","Organic & biomolecular chemistry","2005","3","20","3695","3700","10.1039/b504656d","","","0.71073","MoKα","","0.0563","0.0537","","","0.1508","0.1534","","","","","","1.091","","","","has coordinates","180287","2020-10-21","18:00:00",""
"7150177","17.059","0.003","19.498","0.005","19.657","0.003","90","","90","","90","","6538","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bis-tetrabutylammonium bis-dihydrogenphosphate 1-(4-nitrophenyl)-3-{2-[3-(4-nitrophenyl)ureido]-cyclohexyl}-urea acetonitrile","","- C54 H101 N9 O14 P2 -","- C54 H101 N9 O14 P2 -","- C216 H404 N36 O56 P8 -","4","1","","Amendola, Valeria; Boiocchi, Massimo; Esteban-Gómez, David; Fabbrizzi, Luigi; Monzani, Enrico","Chiral receptors for phosphate ions.","Organic & biomolecular chemistry","2005","3","14","2632","2639","10.1039/b504931h","","","0.71073","MoKα","","0.1662","0.0771","","","0.1864","0.2367","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150195","7.973","0.0016","16.918","0.003","17.566","0.004","90","","90","","90","","2369.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,3-benzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2-ene pyrimidine-2,4(1H,3H)-dithione monohydrate","2,3-benzo-1,4,7,10,13,16-hexaoxacyclooctadeca-2-ene pyrimidine-2,4(1H,3H)-dithione monohydrate","","- C20 H30 N2 O7 S2 -","- C20 H30 N2 O7 S2 -","- C80 H120 N8 O28 S8 -","4","1","","Wang, Wen-Jwu; Ganin, Eduard V.; Fonari, Marina S.; Simonov, Yurii A.; Bocelli, Gabriele","2,4-dithiouracil: the reproducible H-bonded structural motifs in the complexes with 18-membered crown ethers.","Organic & biomolecular chemistry","2005","3","16","3054","3058","10.1039/b505807d","","","0.71073","MoKα","","0.1051","0.0446","","","0.0805","0.0922","","","","","","0.881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150213","8.6059","0.0001","11.6484","0.0001","25.9199","0.0003","90","","90","","90","","2598.34","0.05","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O4 -","- C30 H35 N O4 -","- C120 H140 N4 O16 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","0.0417","0.0322","","0.047","0.0381","0.0381","","","","","","1.1199","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150214","9.4415","0.0001","15.0875","0.0002","18.297","0.0003","90","","90","","90","","2606.38","0.06","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Long, Marcus J. C.; Morrison, Rachel M.; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Sweet, Miles J.; Withey, Jonathan M.","Kinetic resolution and parallel kinetic resolution of methyl (+/-)-5-alkyl-cyclopentene-1-carboxylates for the asymmetric synthesis of 5-alkyl-cispentacin derivatives.","Organic & biomolecular chemistry","2005","3","15","2762","2775","10.1039/b506339f","","","0.71073","MoKα","","0.0444","0.0379","","0.0501","0.0442","0.0442","","","","","","1.1113","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150247","14.113","0.001","12.461","0.001","8.528","0.001","90","","90","","90","","1499.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 I N O3 -","- C14 H18 I N O3 -","- C56 H72 I4 N4 O12 -","4","1","","Adler, Thomas; Bonjoch, Josep; Clayden, Jonathan; Font-Bardía, Mercè; Pickworth, Mark; Solans, Xavier; Solé, Daniel; Vallverdú, Lluís","Slow interconversion of enantiomeric conformers or atropisomers of anilide and urea derivatives of 2-substituted anilines.","Organic & biomolecular chemistry","2005","3","17","3173","3183","10.1039/b507202f","","","0.71069","MoKα","","0.0471","0.0389","","","0.0889","0.0945","","","","","","1.12","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150263","14.792","0.002","28.3","0.004","8.5666","0.0009","90","","90","","90","","3586.1","0.8","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H44 O10 Si -","- C35 H44 O10 Si -","- C140 H176 O40 Si4 -","4","1","","Bailey, Simon; Helliwell, Madeleine; Teerawutgulrag, Aphiwat; Thomas, Eric J.","A total synthesis of milbemycin G: approaches to the C1-C10-fragment and completion of the synthesis.","Organic & biomolecular chemistry","2005","3","20","3654","3677","10.1039/b508675b","","","1.5418","CuKα","","","0.0484","","","0.0602","","","","","2.173","2.173","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7150278","9.932","0.0005","11.5642","0.0006","14.7502","0.0004","90","","90","","90","","1694.14","0.13","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O S -","- C20 H24 O S -","- C80 H96 O4 S4 -","4","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0532","0.0383","","","0.0887","0.0967","","","","","","0.97","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150279","9.9622","0.0003","11.5421","0.0003","14.9696","0.0003","90","","90","","90","","1721.28","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O S -","- C20 H24 O S -","- C80 H96 O4 S4 -","4","1","","Hitchcock, Peter B.; Rowlands, Gareth J.; Seacome, Richard J.","The synthesis and directed ortho-lithiation of 4-tert-butylsulfinyl[2.2]paracyclophane.","Organic & biomolecular chemistry","2005","3","21","3873","3876","10.1039/b509994c","","x-ray","0.71073","MoKα","","0.0487","0.0404","","","0.0953","0.1001","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150291","10.712","","13.782","","14.26","","90","","90","","90","","2105.24","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Mitjans, David","Kinetic and thermodynamic stereocontrol in the atroposelective formation of sulfoxides by oxidation of 2-sulfanyl-1-naphthamides.","Organic & biomolecular chemistry","2005","3","21","3898","3904","10.1039/b511452g","","","0.71069","MoKα","","0.0328","0.0314","","","0.0877","0.089","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150300","9.2857","0.0003","10.4352","0.0003","21.127","0.0008","90","","90","","90","","2047.17","0.12","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O7 -","- C20 H34 O7 -","- C80 H136 O28 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0955","0.0685","","","0.1884","0.2063","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150303","7.9383","0.0002","14.4423","0.0003","15.4979","0.0004","90","","90","","90","","1776.79","0.07","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O6 -","- C17 H28 O6 -","- C68 H112 O24 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0557","0.0439","","","0.1015","0.1075","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150304","8.5902","0.0002","10.0809","0.0002","16.5589","0.0004","90","","90","","90","","1433.95","0.06","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O6 -","- C14 H22 O6 -","- C56 H88 O24 -","4","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Rodríguez, Félix; Sheppard, Tom D.","Michael, Michael-aldol and Michael-Michael reactions of enolate equivalents of butane-2,3-diacetal protected glycolic acid derivatives.","Organic & biomolecular chemistry","2005","3","22","4095","4107","10.1039/b512410g","","","0.71073","MoKα","","0.0419","0.0357","","","0.0792","0.0828","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150332","30.941","0.01","23.839","0.007","10.252","0.004","90","","90","","90","","7562","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","complex of (R)(+)2,2'-Dihydroxy-1,1'-binaphthyl with (R)(+)N- (3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium Chloride","","","- C78 H87 Cl6 N3 O9 -","- C78 H87 Cl6 N3 O9 -","- C312 H348 Cl24 N12 O36 -","4","1","","Toda, Fumio; Yoshizawa, Kazuhiro; Hyoda, Shunji; Toyota, Shinji; Chatziefthimiou, Spyros; Mavridis, Irene M.","Efficient resolution of 2,2'-dihydroxy-1,1'-binaphthyl by inclusion complexation with chiral N-(3-chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride.","Organic & biomolecular chemistry","2004","2","4","449","451","10.1039/b314040g","","","1.5418","CuKα","","0.0702","0.0446","","","0.1043","0.1202","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150344","9.005","0.002","16.541","0.005","16.841","0.004","90","","90","","90","","2508.5","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C92 H144 N8 O20 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","","0.71073","MoKα","","0.1789","0.0672","","","0.1267","0.1668","","","","","","0.982","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150351","20.698","0.002","28.908","0.003","11.465","0.0018","90","","90","","90","","6859.9","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","","- C66 H83 N5 O9 Si3 -","- C66 H67 N5 O9 Si3 -","- C264 H268 N20 O36 Si12 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54178","CuKα","","0.0891","0.0807","","","0.1978","0.2047","","","","","","1.157","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150357","7.5","0.0001","8.329","0.0001","43.319","0.0004","90","","90","","90","","2706.03","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3',5'-O-bis(tert-butyldimethylsiyl)-2'-deoxy-adenosine","3',5'-O-bis(tert-butyldimethylsiyl)-2'-deoxy-adenosine","","- C22 H41 N5 O3 Si2 -","- C22 H41 N5 O3 Si2 -","- C88 H164 N20 O12 Si8 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.5418","CuKα","","0.0422","0.0416","","","0.1226","0.1256","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150362","6.8956","0.0002","8.0263","0.0002","25.0635","0.0007","90","","90","","90","","1387.17","0.07","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 F O3 -","- C15 H17 F O3 -","- C60 H68 F4 O12 -","4","1","","Buffet, Marianne F.; Dixon, Darren J.; Ley, Steven V.; Reynolds, Dominic J.; Storer, R. Ian","Anomeric oxygen to carbon rearrangements of alkynyl tributylstannane derivatives of furanyl (gamma)- and pyranyl (delta)-lactols.","Organic & biomolecular chemistry","2004","2","8","1145","1154","10.1039/b316858a","","","0.71073","MoKα","","0.0892","0.0625","","","0.1631","0.1868","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150384","11.234","0.0002","16.394","0.0002","20.993","0.0003","90","","90","","90","","3866.28","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 N5 O6 S -","- C38 H53 N5 O6 S -","- C152 H212 N20 O24 S4 -","4","1","","Nyangulu, James M.; Nelson, Ken M.; Rose, Patricia A.; Gai, Yuanzhu; Loewen, Mary; Lougheed, Brenda; Quail, J. Wilson; Cutler, Adrian J.; Abrams, Suzanne R.","Synthesis and biological activity of tetralone abscisic acid analogues.","Organic & biomolecular chemistry","2006","4","7","1400","1412","10.1039/b509193d","","","0.71073","MoKα","","0.0541","0.042","","","0.0932","0.0992","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150406","4.8305","0.0008","13.532","0.002","26.21","0.004","90","","90","","90","","1713.3","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 Se -","- C18 H19 N O3 Se -","- C72 H76 N4 O12 Se4 -","4","1","","Fenner, Tahli; White, Jonathan M.; Schiesser, Carl H.","Preparation of 2,3-dihydroselenolo[2,3-b]pyridines and related compounds by free-radical means.","Organic & biomolecular chemistry","2006","4","3","466","474","10.1039/b515385a","","","0.71073","MoKα","","0.0643","0.0408","","","0.0745","0.0791","","","","","","0.81","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150416","8.73","0.002","9.741","0.003","17.509","0.005","90","","90","","90","","1488.9","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-NHMe","","","- C12 H24 N2 O3 -","- C12 H24 N2 O3 -","- C48 H96 N8 O12 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0511","0.0483","","","0.1326","0.1355","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150418","9.3852","0.0017","11.899","0.002","19.199","0.004","90","","90","","90","","2144","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-betaVal-OMe","","","- C18 H34 N2 O5 -","- C18 H34 N2 O5 -","- C72 H136 N8 O20 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0605","0.0585","","","0.1559","0.1574","","","","","","1.307","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150419","5.17","0.004","10.86","0.008","37.3","0.03","90","","90","","90","","2094","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-betaDVal-OMe","","","- C18 H34 N2 O5 -","- C18 H34 N2 O5 -","- C72 H136 N8 O20 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.1091","0.0787","","","0.1588","0.1809","","","","","","1.273","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150424","7.4112","0.0004","15.3453","0.0008","19.811","0.001","90","","90","0.001","90","","2253","0.2","193.2","","193.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O Si -","- C22 H28 N4 O Si -","- C88 H112 N16 O4 Si4 -","4","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","0.7107","MoKα","","0.0508","0.039","","0.039","","0.037","","","1.353","","","1.43","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150425","17.488","0.001","17.514","0.001","7.601","0.002","90","","90","","90","","2328.1","0.6","299.2","","299.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O Si -","- C22 H28 N4 O Si -","- C88 H112 N16 O4 Si4 -","4","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","1.5418","CuKα","","0.0464","0.039","","0.043","","0.042","","","2.546","","","2.63","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150432","12.174","0.001","21.549","0.001","7.6755","0.0003","90","","90","","90","","2013.6","0.2","183.2","","183.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 F N2 O3 -","- C23 H25 F N2 O3 -","- C92 H100 F4 N8 O12 -","4","1","","Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D.","Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I.","Organic & biomolecular chemistry","2006","4","9","1768","1784","10.1039/b517572k","","","0.7107","MoKalpha","","","0.0407","","","0.0404","","","","","1.478","1.478","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150434","6.0153","0.0005","12.4888","0.0009","15.2629","0.001","90","","90","","90","","1146.61","0.15","250","","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","","Li, Hongqing; Schütz, Catherine; Favre, Sylvain; Zhang, Yongmin; Vogel, Pierre; Sinaÿ, Pierre; Blériot, Yves","Nucleophilic opening of epoxyazepanes: expanding the family of polyhydroxyazepane-based glycosidase inhibitors.","Organic & biomolecular chemistry","2006","4","9","1653","1662","10.1039/b518117h","","","0.71073","MoKα","","0.104","0.0593","","0.0738","0.053","0.053","","","","","","1.1381","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150436","9.807","0.0008","11.749","0.0012","16.027","0.002","90","","90","","90","","1846.7","0.3","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N -","- C22 H29 N -","- C88 H116 N4 -","4","1","","Petersen, Michael Axman; Nielsen, Iben B.; Kristensen, Michael B.; Kadziola, Anders; Lammich, Lutz; Andersen, Lars H.; Nielsen, Mogens Brøndsted","Novel retinylidene iminium salts for defining opsin shifts: synthesis and intrinsic chromophoric properties.","Organic & biomolecular chemistry","2006","4","8","1546","1554","10.1039/b600121a","","","0.71073","MoKα","","0.055","0.0428","","","0.0998","0.1093","","","","","","1.117","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150437","9.884","0.0016","11.711","0.0011","16.091","0.002","90","","90","","90","","1862.6","0.4","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N -","- C22 H29 N -","- C88 H116 N4 -","4","1","","Petersen, Michael Axman; Nielsen, Iben B.; Kristensen, Michael B.; Kadziola, Anders; Lammich, Lutz; Andersen, Lars H.; Nielsen, Mogens Brøndsted","Novel retinylidene iminium salts for defining opsin shifts: synthesis and intrinsic chromophoric properties.","Organic & biomolecular chemistry","2006","4","8","1546","1554","10.1039/b600121a","","","0.71073","MoKα","","0.0553","0.0431","","","0.1036","0.1127","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150439","5.6733","0.0002","11.538","0.0009","21.3149","0.0016","90","","90","","90","","1395.24","0.16","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","","Ahmed, Omar; Hitchcock, Peter B.; Young, Douglas W.","Investigation of a route to ibotenic acid analogues via a reduced pyroglutamate template.","Organic & biomolecular chemistry","2006","4","8","1596","1603","10.1039/b600195e","","x-ray","0.71073","MoKα","","0.0584","0.0446","","","0.1003","0.1067","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150451","7.688","0.0002","13.2934","0.0003","31.112","0.0009","90","","90","","90","","3179.64","0.14","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 N8 O7 -","- C32 H28 N8 O7 -","- C128 H112 N32 O28 -","4","1","","Rosenbohm, Christoph; Christensen, Signe M.; Sørensen, Mads D.; Pedersen, Daniel Sejer; Larsen, Lotte-Emilie; Wengel, Jesper; Koch, Troels","Synthesis of 2'-amino-LNA: a new strategyElectronic supplementary information (ESI) available: further experimental details and the structure of compound S11 (.pdb file). See http://www.rsc.org/suppdata/ob/b2/b208864a/","Organic & Biomolecular Chemistry","2003","1","4","655","","10.1039/b208864a","","","0.71073","MoKα","","0.056","0.0427","","","0.0892","0.0964","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150455","5.9714","0.0001","20.5466","0.0005","22.5632","0.0006","90","","90","","90","","2768.32","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Compound X","","","- C10 H16 O -","- C10 H16 O -","- C120 H192 O12 -","12","3","","Amelia García Fraile; David G. Morris; Antonio García Martínez; Santiago de la Moya Cerero; Kenneth W. Muir; Karl S. Ryder; Enrique Teso Vilar","Self-recognition and hydrogen bonding by polycyclic bridgehead monoalcohols","Org. Biomol. Chem.","2003","1","4","700","704","10.1039/b209427d","","","0.71073","MoKα","","0.0671","0.0508","","","0.0996","0.1081","","","","","","1.087","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150461","9.3201","0.0004","12.5782","0.0004","17.9679","0.0004","90","","90","","90","","2106.38","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O7 -","- C22 H23 N O7 -","- C88 H92 N4 O28 -","4","1","","Anat Reizelman; Suzanne C. M. Wigchert; Cinzia del-Bianco; Binne Zwanenburg","Synthesis and bioactivity of labelled germination stimulants for the isolation and identification of the strigolactone receptor","Org. Biomol. Chem.","2003","1","6","950","959","10.1039/b210678g","","","1.54184","CuKα","","0.0484","0.0397","","0.1169","0.1094","0.1169","","","1.048","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150476","7.917","0.002","19.736","0.005","21.32","0.005","90","","90","","90","","3331.2","1.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Crystal 7 ((R)-1/4)","(R)-alpha-[[(1,1-dimethylethyl)amino]methyl]-3,5-dihydroxybenzenemethanol (2S,3S)-di-O-toluoyl tartrate hydrate","","- C32 H39 N O12 -","- C32 H39 N O12 -","- C128 H156 N4 O48 -","4","1","","Liao, Jian; Peng, Xiaohua; Zhang, Juhua; Yu, Kaibei; Cui, Xin; Zhu, Jin; Deng, Jingen","Facile resolution of racemic terbutaline and a study of molecular recognition through chiral supramolecules based on enantiodifferentiating self-assemblyElectronic supplementary information (ESI) available: 1) 1H and 13C NMR analyses of (R)-1·4 and (S)-1·4; 2) ORTEP views and stacking structures of crystals 5, 7 and 8; 3) DSC and TG analyses of the more- and less-soluble salts. See http://www.rsc.org/suppdata/ob/b2/b211327a/","Organic & Biomolecular Chemistry","2003","1","6","1080","","10.1039/b211327a","","","0.71073","MoKα","","0.152","0.0495","","","0.0759","0.0973","","","","","","0.796","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150479","7.81","0.001","21.431","0.004","21.948","0.003","90","","90","","90","","3673.6","1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Crystal 8 ((R)-1/4)","Inclusion complex of (R)-alpha-[[(1,1-dimethylethyl)amino]methyl]- 3,5-dihydroxybenzenemethanol (2S,3S)-di-O-toluoyl tartrate hydrate and acetone","","- C35 H45 N O13 -","- C35 H45 N O13 -","- C140 H180 N4 O52 -","4","1","","Liao, Jian; Peng, Xiaohua; Zhang, Juhua; Yu, Kaibei; Cui, Xin; Zhu, Jin; Deng, Jingen","Facile resolution of racemic terbutaline and a study of molecular recognition through chiral supramolecules based on enantiodifferentiating self-assemblyElectronic supplementary information (ESI) available: 1) 1H and 13C NMR analyses of (R)-1·4 and (S)-1·4; 2) ORTEP views and stacking structures of crystals 5, 7 and 8; 3) DSC and TG analyses of the more- and less-soluble salts. See http://www.rsc.org/suppdata/ob/b2/b211327a/","Organic & Biomolecular Chemistry","2003","1","6","1080","","10.1039/b211327a","","","0.71073","MoKα","","0.0912","0.0464","","","0.099","0.1124","","","","","","0.862","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150529","6.5353","0.0001","9.8759","0.0001","30.2519","0.0005","90","","90","","90","","1952.52","0.05","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O6 S -","- C20 H27 N O6 S -","- C80 H108 N4 O24 S4 -","4","1","","Evans, Amanda C.; Longbottom, Deborah A.; Matsuoka, Masato; Davies, John E.; Turner, Richard; Franckevičius, Vilius; Ley, Steven V.","Highly diastereoselective desymmetrisation of cyclic meso-anhydrides and derivatisation for use in natural product synthesis","Organic & Biomolecular Chemistry","2009","7","4","747","760","10.1039/b813494d","","","0.71073","MoKα","","0.0297","0.0282","","","0.07","0.0713","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150530","5.797","0.002","12.152","0.004","20.075","0.006","90","","90","","90","","1414.2","0.8","193.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Zhang, Xue-jing; Yan, Ming; Huang, Dan","Catalyzed addition of diazoacetoacetates to imines: synthesis of highly functionalized aziridines","Organic & Biomolecular Chemistry","2009","7","1","187","192","10.1039/b813763c","","","0.7107","MoKα","","","0.089","","","","0.21","","","","","","1.154","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150564","9.0438","0.0004","14.174","0.0007","19.0124","0.0011","90","","90","","90","","2437.1","0.2","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C104 H96 N8 O8 -","4","1","","Libendi, Samuel Shikuku; Demizu, Yosuke; Onomura, Osamu","Direct electrochemical α-cyanation of N-protected cyclic amines","Organic & Biomolecular Chemistry","2009","7","2","351","356","10.1039/b816598j","","","0.7107","MoKα","","","0.0731","","","","0.1818","","","","","","0.975","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150569","15.5665","0.0004","23.5385","0.0005","33.1929","0.0009","90","","90","","90","","12162.3","0.5","100.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H91.249 O43.6245 -","- C45 H49 O43.6245 -","- C360 H392 O348.996 -","8","2","","Osaki, Motofumi; Takashima, Yoshinori; Yamaguchi, Hiroyasu; Harada, Akira","Switching of polymerization activity of cinnamoyl-α-cyclodextrin","Organic & Biomolecular Chemistry","2009","7","8","1646","1651","10.1039/b818241h","","","1.54187","CuKα","","","0.0698","","","","0.2154","","","","","","1.134","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150570","11.5712","0.0002","13.9737","0.0002","17.038","0.0002","90","","90","","90","","2754.92","0.07","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 N O4 -","- C29 H39 N O4 -","- C116 H156 N4 O16 -","4","1","","Davies, Stephen G.; Durbin, Matthew J.; Goddard, Euan C.; Kelly, Peter M.; Kurosawa, Wataru; Lee, James A.; Nicholson, Rebecca L.; Price, Paul D.; Roberts, Paul M.; Russell, Angela J.; Scott, Philip M.; Smith, Andrew D.","Doubly diastereoselective conjugate addition of homochiral lithium amides to homochiral α,β-unsaturated esters containing cis- and trans-dioxolane units","Organic & Biomolecular Chemistry","2009","7","4","761","776","10.1039/B818298a","","","0.71073","MoKα","","0.0408","0.0321","","0.0465","0.0396","0.0396","","","","","","1.0881","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150573","6.5457","0.0009","12.2932","0.0015","30.973","0.004","90","","90","","90","","2492.3","0.6","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C120 H128 O32 -","8","2","","Li, Yi; Nawrat, Christopher C.; Pattenden, Gerald; Winne, Johan M.","A concise total synthesis of (±)-anthecularin","Organic & Biomolecular Chemistry","2009","7","4","639","640","10.1039/b819454h","","","0.71073","MoKα","","0.091","0.0809","","","0.1401","0.1433","","","","","","1.293","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150577","6.237","0.002","12.419","0.004","17.923","0.006","90","","90","","90","","1388.3","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C60 H84 N4 O8 S4 -","4","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.064","0.0554","","","0.1326","0.1371","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150581","11.2099","0.0005","15.8759","0.0006","35.534","0.0015","90","","90","","90","","6323.9","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H89 I N2 O8 -","- C65 H89 I N2 O8 -","- C260 H356 I4 N8 O32 -","4","1","","Podoprygorina, Ganna; Bolte, Michael; Böhmer, Volker","Tetra-urea calix[4]arenes 1,3-bridged at the narrow rim","Organic & Biomolecular Chemistry","2009","7","8","1592","1598","10.1039/B819710e","","","0.71073","MoKα","","0.0411","0.0387","","","0.1059","0.1082","","","","","","1.012","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150624","9.648","0.0019","9.9528","0.0019","17.941","0.003","90","","90","","90","","1722.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br O5 -","- C16 H19 Br O5 -","- C64 H76 Br4 O20 -","4","1","","Yang, Jin; Wang, Ting; Ding, Zhenhua; Shen, Zongxuan; Zhang, Yawen","Highly diastereo- and enantioselective organocatalytic addition of acetone to β-substituted α-ketoesters via dynamic kinetic resolution","Organic & Biomolecular Chemistry","2009","7","10","2208","2213","10.1039/b822127h","","","0.7107","MoKα","","0.1148","0.0748","","","0.1449","0.1602","","","","","","1.169","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150625","6.1265","0.0004","13.8082","0.0009","19.2305","0.0013","90","","90","","90","","1626.82","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C72 H84 N12 O4 -","4","1","","Coeffard, Vincent; Müller-Bunz, Helge; Guiry, Patrick J.","The synthesis of new oxazoline-containing bifunctional catalysts and their application in the addition of diethylzinc to aldehydes","Organic & Biomolecular Chemistry","2009","7","8","1723","1734","10.1039/b822580j","","","0.71073","MoKα","","0.0398","0.0368","","","0.0981","0.1009","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150626","10.4417","0.0006","11.1428","0.0006","17.018","0.0009","90","","90","","90","","1980.04","0.19","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cl2 N3 O Zn -","- C18 H21 Cl2 N3 O Zn -","- C72 H84 Cl8 N12 O4 Zn4 -","4","1","","Coeffard, Vincent; Müller-Bunz, Helge; Guiry, Patrick J.","The synthesis of new oxazoline-containing bifunctional catalysts and their application in the addition of diethylzinc to aldehydes","Organic & Biomolecular Chemistry","2009","7","8","1723","1734","10.1039/b822580j","","","0.71073","MoKα","","0.0302","0.0285","","","0.0747","0.0759","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150655","7.9563","0.0012","8.4315","0.0012","28.798","0.004","90","","90","","90","","1931.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N3 O3 -","- C23 H23 N3 O3 -","- C92 H92 N12 O12 -","4","1","","Walton, Jeffrey G. A.; Patterson, Stephen; Liu, Gu; Haraldsen, Jeralyn D.; Hollick, Jonathan J.; Slawin, Alexandra M. Z.; Ward, Gary E.; Westwood, Nicholas J.","Synthesis and biological evaluation of functionalised tetrahydro-β-carboline analogues as inhibitors of Toxoplasma gondii invasion","Organic & Biomolecular Chemistry","2009","7","15","3049","","10.1039/b902319d","","","1.54178","CuKα","","0.1368","0.1033","","","0.2259","0.25","","","","","","1.142","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150656","7.475","0.001","8.234","0.001","16.061","0.002","90","","90","","90","","988.5","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S,2S,7R,8S,9R)-8-hydroxymethyl-10,12-dioxatricyclo- (7.2.1.027)dodec-4-ene","(1S,2S,7R,8S,9R)-8-hydroxymethyl-10,12-dioxatricyclo- [7.2.1.027]dodec-4-ene","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Stevens, Anne T.; Caira, Mino R.; Bull, James R.; Chibale, Kelly","Cycloaddition and one-carbon homologation studies in the synthesis of advanced iridoid precursors","Organic & Biomolecular Chemistry","2009","7","17","3527","3536","10.1039/b902452b","","","0.71073","MoKα","","0.0496","0.0357","","","0.076","0.0815","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150662","8.9487","0.0002","5.1851","0.0001","52.29","0.0007","90","","90","","90","","2426.25","0.08","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32.33 N O2 -","- C29 H32.3257 N O2 -","- C116 H129.303 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","Doubly diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements","Organic & Biomolecular Chemistry","2009","7","12","2604","2611","10.1039/b902753j","","","0.71073","MoKα","","0.0983","0.0777","","0.1858","0.155","0.1587","","","","","","0.986","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150701","9.725","0.0011","6.479","0.0007","20.325","0.002","90","","90","","90","","1280.6","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quinolizidine","","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","1","","Pandey, Ganesh; Grahacharya, Debasish; Shashidhara, K. S.; Khan, M. Islam; Puranik, Vedavati G.","Synthesis of polyfunctional quinolizidine alkaloids: development towards selective glycosidase inhibitors","Organic & Biomolecular Chemistry","2009","7","16","3300","3307","10.1039/b907007a","","","0.71073","MoKα","","0.1121","0.048","","","0.0864","0.1055","","","","","","0.965","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150702","5.3743","0.0004","10.2506","0.0007","24.3106","0.0017","90","","90","","90","","1339.27","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quinolizidine","","","- C13 H23 N O4 -","- C13 H23 N O4 -","- C52 H92 N4 O16 -","4","1","","Pandey, Ganesh; Grahacharya, Debasish; Shashidhara, K. S.; Khan, M. Islam; Puranik, Vedavati G.","Synthesis of polyfunctional quinolizidine alkaloids: development towards selective glycosidase inhibitors","Organic & Biomolecular Chemistry","2009","7","16","3300","3307","10.1039/b907007a","","","0.71073","MoKα","","0.0435","0.0358","","","0.0823","0.0856","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150703","7.814","0.0005","14.5374","0.0008","16.0994","0.001","90","","90","","90","","1828.82","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 N4 O7 -","- C14 H24 N4 O7 -","- C56 H96 N16 O28 -","4","1","","Fernández-Tejada, Alberto; Corzana, Francisco; Busto, Jesús H.; Avenoza, Alberto; Peregrina, Jesús M.","Stabilizing unusual conformations in small peptides and glucopeptides using a hydroxylated cyclobutane amino acid","Organic & Biomolecular Chemistry","2009","7","14","2885","2893","10.1039/b907091p","","","0.71073","MoKα","","0.1125","0.0652","","","0.149","0.1761","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150705","5.1252","0.001","17.913","0.004","23.305","0.005","90","","90","","90","","2139.6","0.8","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11d","","","- C25 H25 N5 O -","- C25 H25 N5 O -","- C100 H100 N20 O4 -","4","1","","Ghiviriga, Ion; El-Gendy, Bahaa El-Dien M.; Steel, Peter J.; Katritzky, Alan R.","Tautomerism of guanidines studied by 15N NMR: 2-hydrazono-3-phenylquinazolin-4(3H)-ones and related compounds","Organic & Biomolecular Chemistry","2009","7","19","4110","4119","10.1039/b907577a","","","0.71073","MoKα","","0.0328","0.0313","","","0.0814","0.0827","","","","","","1.082","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150712","6.0167","0.0005","10.2379","0.0009","22.355","0.002","90","","90","","90","","1377","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07113a","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons‒Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.046","0.0329","","","0.0761","0.0803","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150715","6.4331","0.0018","11.657","0.003","15.86","0.004","90","","90","","90","","1189.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","08086t","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons‒Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.0416","0.0329","","","0.0756","0.0815","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150722","7.67","0.0001","14.837","0.0003","20.519","0.0003","90","","90","","90","","2335.06","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 4d","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Cheeseman, Matt; Davies, Iwan R.; Axe, Phil; Johnson, Andrew L.; Bull, Steven D.","A temporary stereocentre approach for the asymmetric synthesis of chiral cyclopropane-carboxaldehydes","Organic & Biomolecular Chemistry","2009","7","17","3537","3548","10.1039/b908600e","","","0.71073","MoKα","","0.0589","0.0406","","","0.0918","0.0998","","","","","","1.027","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150727","6.0491","0.0004","8.3323","0.0005","34.349","0.003","90","","90","","90","","1731.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3S, 5clambda, 8S)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5clambda5- phosphaspiro (4.4)-nonane-2,7-dione","(3S, 5Λ, 8S)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5Λ5-phosphaspiro [4.4]-nonane-2,7-dione","","- C18 H19 N2 O4 P -","- C18 H19 N2 O4 P -","- C72 H76 N8 O16 P4 -","4","1","","Hou, Jian-Bo; Zhang, Hui; Guo, Jian-Nan; Liu, Yan; Xu, Peng-Xiang; Zhao, Yu-Fen; Blackburn, G. Michael","Chirality at phosphorus in pentacoordinate spirophosphoranes: stereochemistry by X-ray structure and spectroscopic analysis","Organic & Biomolecular Chemistry","2009","7","15","3020","","10.1039/b909786d","","","0.71073","MoKα","","0.0698","0.0411","","","0.0629","0.0696","","","","","","0.892","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150728","6.0474","0.0002","8.329","0.0003","34.27","0.002","90","","90","","90","","1726.14","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3R, 5cdelta, 8R)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5clambda5- phosphaspiro (4.4)-nonane-2,7-dione","(3R, 5Δ, 8R)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5Λ5-phosphaspiro [4.4]-nonane-2,7-dione","","- C18 H19 N2 O4 P -","- C18 H19 N2 O4 P -","- C72 H76 N8 O16 P4 -","4","1","","Hou, Jian-Bo; Zhang, Hui; Guo, Jian-Nan; Liu, Yan; Xu, Peng-Xiang; Zhao, Yu-Fen; Blackburn, G. Michael","Chirality at phosphorus in pentacoordinate spirophosphoranes: stereochemistry by X-ray structure and spectroscopic analysis","Organic & Biomolecular Chemistry","2009","7","15","3020","","10.1039/b909786d","","","0.71073","MoKα","","0.0675","0.0625","","","0.1442","0.1457","","","","","","1.243","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150730","7.4542","0.0015","23.187","0.005","23.706","0.005","90","","90","","90","","4097.4","1.5","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H52 Cl2 N2 O13 S -","- C37 H52 Cl2 N2 O13 S -","- C148 H208 Cl8 N8 O52 S4 -","4","1","","Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine","Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine","Organic & Biomolecular Chemistry","2009","7","19","3918","3921","10.1039/b910050d","","x-ray","0.71073","MoKα","","0.0927","0.0754","","","0.1899","0.1988","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150731","12.629","0.005","14.954","0.005","20.739","0.005","90","","90","","90","","3917","2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 N2 O13 S -","- C36 H50 N2 O13 S -","- C144 H200 N8 O52 S4 -","4","1","","Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine","Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine","Organic & Biomolecular Chemistry","2009","7","19","3918","3921","10.1039/b910050d","","x-ray","0.71069","MoKα","","0.0687","0.0459","","","0.1106","0.1178","","","","","","1.057","","","","has coordinates","287905","2023-11-30","18:01:52",""
"7150732","9.9034","0.0012","10.2924","0.0013","20.413","0.002","90","","90","","90","","2080.7","0.4","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O11 -","- C18 H26 O11 -","- C72 H104 O44 -","4","1","","Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine","Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine","Organic & Biomolecular Chemistry","2009","7","19","3918","3921","10.1039/b910050d","","x-ray","0.71073","MoKα","","0.0737","0.0481","","","0.1193","0.1321","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150772","5.6114","0.0004","11.6946","0.0009","25.505","0.002","90","","90","","90","","1673.7","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C76 H80 O12 S4 -","4","1","","Stalford, Susanne A.; Kilner, Colin A.; Leach, Andrew G.; Turnbull, W. Bruce","Neighbouring group participation vs. addition to oxacarbenium ions: studies on the synthesis of mycobacterial oligosaccharides","Organic & Biomolecular Chemistry","2009","7","23","4842","4852","10.1039/b914417j","","","0.71073","MoKα","","0.0626","0.0437","","","0.0972","0.1051","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150789","9.729","0.002","10.168","0.002","18.965","0.004","90","","90","","90","","1876.1","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Jennings, W. Brian; McCarthy, Noel J. P.; Kelly, Padraig; Malone, John F.","Topically resolved intramolecular CH-π interactions in phenylalanine derivatives","Organic & Biomolecular Chemistry","2009","7","24","5156","5162","10.1039/b916021n","","","0.71073","MoKα","","0.0359","0.031","","","0.0779","0.0802","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150791","9.212","0.002","10.822","0.003","19.309","0.005","90","","90","","90","","1925","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Jennings, W. Brian; McCarthy, Noel J. P.; Kelly, Padraig; Malone, John F.","Topically resolved intramolecular CH-π interactions in phenylalanine derivatives","Organic & Biomolecular Chemistry","2009","7","24","5156","5162","10.1039/b916021n","","","0.71073","MoKα","","0.0414","0.035","","","0.0824","0.0851","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150792","5.6393","0.0002","11.9631","0.0004","38.0483","0.0013","90","","90","","90","","2566.87","0.15","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C128 H88 N24 O8 -","8","2","","Tran, Tuan P.; Patel, Nandini; Samas, Brian; Schwarz, Jacob B.","Robust preparation of novel imidazo[5,1-b][1,3,4]oxadiazoles","Organic & Biomolecular Chemistry","2009","7","24","5063","5066","10.1039/b916188k","","","1.54178","CuKα","","0.0464","0.0385","","","0.0943","0.1001","","","","","","1.02","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150794","8.681","0.001","9.784","0.001","24.875","0.003","90","","90","","90","","2112.8","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Diethyl-1-(2-(5-(alloyoxy)-2,4-dimethoxyphenyl)-1-oxopropan-2- yl)hydrazine-1,2-dicarboxylate","Diethyl-1-(2-(5-(alloyoxy)-2,4-dimethoxyphenyl)-1-oxopropan-2-yl)hydrazine- 1,2-dicarboxylate","","- C20 H28 N2 O8 -","- C20 H28 N2 O8 -","- C80 H112 N8 O32 -","4","1","","Hartmann, Caroline E.; Gross, Patrick J.; Nieger, Martin; Bräse, Stefan","Towards an asymmetric synthesis of the bacterial peptide deformylase (PDF) inhibitor fumimycin","Organic & Biomolecular Chemistry","2009","7","24","5059","5062","10.1039/b916372g","","","0.71073","MoKα","","0.0421","0.0364","","","0.0837","0.0867","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150795","8.771","0.003","9.743","0.003","26.204","0.009","90","","90","","90","","2239.3","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C96 H120 N16 O16 -","4","1","","Jiang, Jun; Chen, Xiaohong; Wang, Jun; Hui, Yonghai; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Chiral biphenylamide derivative: an efficient organocatalyst for the enantioselective synthesis of α-hydroxy phosphonates","Organic & Biomolecular Chemistry","2009","7","21","4355","4357","10.1039/b917554g","","","0.71073","MoKα","","0.1969","0.0506","","","0.1054","0.1402","","","","","","1.005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150803","8.7674","0.0009","9.3303","0.0009","31.529","0.003","90","","90","","90","","2579.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dicobalt hexacarbonyl 5-((1-hydroxycyclohexyl)ethynyl)-2'- deoxyuridine","Dicobalt hexacarbonyl 5-[(1-hydroxycyclohexyl)ethynyl]-2'-deoxyuridine","","- C23 H22 Co2 N2 O12 -","- C23 H22 Co2 N2 O12 -","- C92 H88 Co8 N8 O48 -","4","1","","Sergeant, Craig D.; Ott, Ingo; Sniady, Adam; Meneni, Srinivasarao; Gust, Ronald; Rheingold, Arnold L.; Dembinski, Roman","Metallo-nucleosides: synthesis and biological evaluation of hexacarbonyl dicobalt 5-alkynyl-2′-deoxyuridines","Organic & Biomolecular Chemistry","2008","6","1","73","80","10.1039/b713371e","","","0.71073","MoKα","","0.0431","0.0362","","","0.076","0.0786","","","","","","1.026","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150815","8.43","0.001","16.304","0.001","20.801","0.001","90","","90","","90","","2858.9","0.4","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H46 O5 Si -","- C28 H46 O5 Si -","- C112 H184 O20 Si4 -","4","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.71073","MoKα","","0.0655","0.0417","","","0.098","0.1255","","","","","","1.135","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150817","7.8054","0.0005","10.1991","0.0009","14.3886","0.0006","90","","90","","90","","1145.45","0.13","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.6884","Synchrotron","","0.0506","0.0436","","","0.1078","0.1104","","","","","","1.143","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150818","8.04","0.003","16.929","0.003","19.604","0.003","90","","90","","90","","2668.3","1.2","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 O5 Si -","- C26 H44 O5 Si -","- C104 H176 O20 Si4 -","4","1","","Burton, Jonathan W.; Anderson, Edward A.; O'Sullivan, Paul T.; Collins, Ian; Davies, John E.; Bond, Andrew D.; Feeder, Neil; Holmes, Andrew B.","The Claisen rearrangement approach to fused bicyclic medium-ring oxacycles","Organic & Biomolecular Chemistry","2008","6","4","693","702","10.1039/b715354f","","","0.71073","MoKα","","0.0741","0.046","","","0.1233","0.1699","","","","","","1.246","","","","has coordinates,has disorder","180294","2020-10-21","18:00:00",""
"7150834","8.3666","0.0002","15.4945","0.0003","16.3029","0.0004","90","","90","","90","","2113.45","0.08","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 Cu F6 N3 O4 -","- C17 H27 Cu F6 N3 O4 -","- C68 H108 Cu4 F24 N12 O16 -","4","1","","Stones, Graham; Tripoli, Régis; McDavid, Colin L.; Roux-Duplâtre, Kewin; Kennedy, Alan R.; Sherrington, David C.; Gibson, Colin L.","Investigation of macrocyclisation routes to 1,4,7-triazacyclononanes: efficient syntheses from 1,2-ditosylamides","Organic & Biomolecular Chemistry","2008","6","2","374","384","10.1039/b716938h","","","0.71073","MoKα","","0.0701","0.0405","","","0.063","0.0719","","","","","","1.033","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150838","5.9329","0.0008","14.5318","0.0019","18.898","0.003","90","","90","","90","","1629.3","0.4","566","2","566","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tricyclic compounds","","","- C14 H15.3 N5 O6.15 -","- C14 H15 N5 O6.15 -","- C56 H60 N20 O24.6 -","4","1","","Anegundi, Ramakrishna I.; Puranik, Vedavati G.; Hotha, Srinivas","Synthesis of 1,2,3-triazole and 1,2,3,4-tetrazole-fused glycosides and nucleosides by an intramolecular 1,3-dipolar cycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","4","779","786","10.1039/b716996e","","","0.71073","MoKα","","0.1687","0.0607","","","0.1058","0.1471","","","","","","0.977","","","","has coordinates","180294","2020-10-21","18:00:00",""
"7150839","5.6672","0.0005","9.8214","0.0009","21.2188","0.0019","90","","90","","90","","1181.03","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tetracyclic compounds","","","- C10 H14 N4 O4 -","- C10 H14 N4 O4 -","- C40 H56 N16 O16 -","4","1","","Anegundi, Ramakrishna I.; Puranik, Vedavati G.; Hotha, Srinivas","Synthesis of 1,2,3-triazole and 1,2,3,4-tetrazole-fused glycosides and nucleosides by an intramolecular 1,3-dipolar cycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","4","779","786","10.1039/b716996e","","","0.71073","MoKα","","0.0478","0.0406","","","0.09","0.0935","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150840","5.495","0.001","10.054","0.002","21.33","0.004","90","","90","","90","","1178.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","1","","Anegundi, Ramakrishna I.; Puranik, Vedavati G.; Hotha, Srinivas","Synthesis of 1,2,3-triazole and 1,2,3,4-tetrazole-fused glycosides and nucleosides by an intramolecular 1,3-dipolar cycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","4","779","786","10.1039/b716996e","","","0.71073","MoKα","","0.0686","0.0283","","","0.0306","0.0357","","","","","","0.541","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150843","6.3023","0.0008","19.07","0.002","35.095","0.004","90","","90","","90","","4217.9","0.8","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H67 N O5 -","- C48 H67 N O5 -","- C192 H268 N4 O20 -","4","1","","Taniguchi, Kayoko; Aruga, Marie; Yasutake, Mikio; Hirose, Takuji","Solvent control of optical resolution of 2-amino-1-phenylethanol using dehydroabietic acid","Organic & Biomolecular Chemistry","2008","6","3","458","463","10.1039/b717071h","","","0.71073","MoKα","","0.1378","0.0927","","","0.1999","0.2269","","","","","","1.148","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150849","8.4053","0.0005","14.8272","0.0009","18.2296","0.0011","90","","90","","90","","2271.9","0.2","293","1","293","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N6 O2 S3 -","- C17 H28 N6 O2 S3 -","- C68 H112 N24 O8 S12 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","Enols and thioenols of substituted cyanomonothiocarbonylmalonamides: structures, enolization vs. thioenolization, equilibria and conformations","Organic & Biomolecular Chemistry","2008","6","6","1071","1082","10.1039/b717556f","","","0.71073","MoKα","","0.0332","0.0309","","","0.0689","0.0697","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150858","13.819","0.0008","17.9176","0.001","21.6376","0.001","90","","90","","90","","5357.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H66 N6 O9 S2 -","- C55 H66 N6 O9 S2 -","- C220 H264 N24 O36 S8 -","4","1","","Meshcheryakov, Denys; Arnaud-Neu, Françoise; Böhmer, Volker; Bolte, Michael; Hubscher-Bruder, Véronique; Jobin, Emilie; Thondorf, Iris; Werner, Sabine","Cyclic triureas—synthesis, crystal structures and properties","Organic & Biomolecular Chemistry","2008","6","6","1004","1014","10.1039/b718114k","","","0.71073","MoKα","","0.0388","0.0344","","","0.084","0.0859","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150873","11.3216","0.0001","13.2699","0.0001","13.7391","0.0002","90","","90","","90","","2064.11","0.04","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C88 H100 N12 O16 -","4","1","","Sakamoto, Masami; Sato, Naoto; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Crystallization-induced diastereomer transformation of 2-quinolone-4-carboxamide followed by stereoselective intermolecular photocycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","5","848","850","10.1039/b719761f","","","0.71073","MoKα","","0.0721","0.048","","","0.1187","0.1295","","","","","","0.98","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150874","8.0817","0.001","14.5195","0.0018","17.141","0.002","90","","90","","90","","2011.4","0.4","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N3 O4 -","- C22 H25 N3 O4 -","- C88 H100 N12 O16 -","4","1","","Sakamoto, Masami; Sato, Naoto; Mino, Takashi; Kasashima, Yoshio; Fujita, Tsutomu","Crystallization-induced diastereomer transformation of 2-quinolone-4-carboxamide followed by stereoselective intermolecular photocycloaddition reaction","Organic & Biomolecular Chemistry","2008","6","5","848","850","10.1039/b719761f","","","0.71073","MoKα","","0.037","0.033","","","0.0809","0.0832","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150879","6.6262","0.0018","16.496","0.005","21.207","0.005","90","","90","","90","","2318","1.1","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Duguet, Nicolas; Campbell, Craig D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","N-Heterocyclic carbene catalysed β-lactam synthesis","Organic & Biomolecular Chemistry","2008","6","6","1108","1113","10.1039/b800857b","","","0.71073","MoKα","","0.0837","0.0687","","","0.162","0.1741","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150886","9.3903","0.0007","16.0688","0.001","19.4462","0.0018","90","","90","","90","","2934.3","0.4","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 N4 O6 -","- C26 H40 N4 O6 -","- C104 H160 N16 O24 -","4","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","10.1039/b801139g","","x-ray","0.71073","MoKα","","0.0992","0.0441","","","0.0809","0.0993","","","","","","0.982","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150887","5.241","0.001","17.883","0.003","19.356","0.002","90","","90","","90","","1814.1","0.5","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N3 O3 -","- C17 H27 N3 O3 -","- C68 H108 N12 O12 -","4","1","","Fischer, Lucile; Didierjean, Claude; Jolibois, Franck; Semetey, Vincent; Manuel Lozano, Jose; Briand, Jean-Paul; Marraud, Michel; Poteau, Romuald; Guichard, Gilles","Propensity for local folding induced by the urea fragment in short-chain oligomers","Organic & Biomolecular Chemistry","2008","6","14","2596","2610","","","x-ray","1.5406","","","0.0535","0.0503","","","0.1307","0.1377","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150895","6.429","0.001","13.631","0.002","50.896","0.006","90","","90","","90","","4460.2","1.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(9alpha,13beta)-delta17,20-Protolanostane Alcohol","","","- C51 H84 O3 -","- C51 H80 O3 -","- C204 H320 O12 -","4","1","","Winne, Johan M.; De Clercq, Pierre J.; Milanesio, Marco; Pattison, Philip; Viterbo, Davide","Nonenzymic polycyclisation of analogues of oxidosqualene with a preformed C-ring","Organic & Biomolecular Chemistry","2008","6","11","1918","1925","10.1039/b801670d","","","0.7114","MoKα","","0.2217","0.2009","","","0.5235","0.5641","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150898","6.566","0.0005","7.3847","0.0006","24.1727","0.0019","90","","90","","90","","1172.08","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Alcaide, Benito; Almendros, Pedro; Luna, Amparo; Torres, M. Rosario","Stereoselective NaN3-catalyzed halonitroaldol-type reaction of azetidine-2,3-diones in aqueous media","Organic & Biomolecular Chemistry","2008","6","9","1635","1640","10.1039/b802011f","","","0.71073","MoKα","","0.0579","0.0308","","","0.0636","0.0717","","","","","","0.972","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150903","5.99","0.0003","15.612","0.0008","19.9389","0.001","90","","90","","90","","1864.6","0.16","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O Si -","- C18 H20 Cl N O Si -","- C72 H80 Cl4 N4 O4 Si4 -","4","1","","Karatas, Betül; Rendler, Sebastian; Fröhlich, Roland; Oestreich, Martin","Kinetic resolution of donor-functionalised tertiary alcohols by Cu‒H-catalysed stereoselective silylation using a strained silicon-stereogenic silane","Organic & Biomolecular Chemistry","2008","6","8","1435","1440","10.1039/b802186d","","","1.54178","CuKα","","0.046","0.0408","","","0.0956","0.0998","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150916","11.014","0.001","13.24","0.002","17.939","0.002","90","","90","","90","","2616","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C112 H112 N16 O24 -","8","2","","Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian","Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones","Organic & Biomolecular Chemistry","2008","6","14","2574","2586","10.1039/b802997k","","","0.71073","MoKα","","0.048","0.048","","0.0734","","0.0734","","","0.739","","","0.739","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7150917","5.96","0.001","12.835","0.002","16.626","0.001","90","","90","","90","","1271.8","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Berini, Christophe; Minassian, Frédéric; Pelloux-Léon, Nadia; Denis, Jean-Noël; Vallée, Yannick; Philouze, Christian","Efficient stereoselective nucleophilic addition of pyrroles to chiral nitrones","Organic & Biomolecular Chemistry","2008","6","14","2574","2586","10.1039/b802997k","","","0.71073","MoKα","","0.049","0.049","","0.062","","0.062","","","1.512","","","1.512","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150924","7.4315","0.0016","8.443","0.0018","21.576","0.005","90","","90","","90","","1353.8","0.5","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans","Organic & Biomolecular Chemistry","2008","6","16","2868","2883","10.1039/b803433h","","","0.71073","MoKα","","0.0459","0.0419","","","0.1064","0.1085","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150925","8.7028","0.0011","13.9149","0.0015","30.493","0.003","90","","90","","90","","3692.7","0.7","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36.5 H43 F N2 O12.5 -","- C36.5 H43 F N2 O12.5 -","- C146 H172 F4 N8 O50 -","4","1","","Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans","Organic & Biomolecular Chemistry","2008","6","16","2868","2883","10.1039/b803433h","","","0.71073","MoKα","","0.0747","0.0621","","","0.127","0.1312","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150926","7.719","0.003","13.922","0.005","24.899","0.012","90","","90","","90","","2675.7","1.9","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Br N2 O7 S -","- C25 H33 Br N2 O7 S -","- C100 H132 Br4 N8 O28 S4 -","4","1","","Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans","Organic & Biomolecular Chemistry","2008","6","16","2868","2883","10.1039/b803433h","","","0.71073","MoKα","","0.0508","0.0394","","","0.1069","0.1159","","","","","","0.939","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150927","7.5366","0.0002","11.9922","0.0004","21.9804","0.0011","90","","90","","90","","1986.6","0.13","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Br N O2 -","- C22 H26 Br N O2 -","- C88 H104 Br4 N4 O8 -","4","1","","Zezula, Josef; Singer, Lisa; Przybył, Anna K.; Hashimoto, Akihiro; Dersch, Christina M.; Rothman, Richard B.; Deschamps, Jeffrey; Lee, Yong Sok; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and pharmacological effects of the enantiomers of the N-phenethyl analogues of the ortho and para e- and f-oxide-bridged phenylmorphans","Organic & Biomolecular Chemistry","2008","6","16","2868","2883","10.1039/b803433h","","","0.71073","MoKα","","0.0436","0.0329","","","0.075","0.0787","","","","","","1.029","","","","has coordinates","180295","2020-10-21","18:00:00",""
"7150932","12.2155","0.0003","14.8014","0.0004","15.6657","0.0004","90","","90","","90","","2832.46","0.13","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 N3 O2 -","- C35 H31 N3 O2 -","- C140 H124 N12 O8 -","4","1","","Klosterman, Jeremy K.; Linden, Anthony; Siegel, Jay S.","Synthesis of aryl-substituted 2-pyridyl-1,10-phenanthrolines; a series of oriented terpyridine analogues","Organic & Biomolecular Chemistry","2008","6","15","2755","2764","10.1039/b804106g","","","0.71073","MoKα","","0.0714","0.0456","","","0.1041","0.1193","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150958","8.03","0.002","10.027","0.002","22.837","0.005","90","","90","","90","","1838.8","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Cl3 N O2 Si -","- C13 H20 Cl3 N O2 Si -","- C52 H80 Cl12 N4 O8 Si4 -","4","1","","Pattenden, Gerald; Rescourio, Gwenaëlla","A new synthetic approach to (+)-lactacystin based on radical cyclisation of enantiopure α-ethynyl substituted serine derivatives to 4-methylenepyrrolidinones","Organic & Biomolecular Chemistry","2008","6","18","3428","3438","10.1039/b806681g","","","0.71073","MoKα","","0.0703","0.0373","","","0.0447","0.0488","","","","","","0.77","","","","has coordinates,has disorder","180295","2020-10-21","18:00:00",""
"7150976","7.76","0.001","10.508","0.001","15.461","0.001","90","","90","","90","","1260.7","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-naphthalene","","- C14 H19 Br -","- C14 H19 Br -","- C56 H76 Br4 -","4","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","0.71073","MoKα","","0.0201","0.017","","","0.0402","0.0413","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150977","6.0434","0.0007","13.3512","0.0015","22.597","0.002","90","","90","","90","","1823.3","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-trimethylsilylethynyl-1,1,4,4-tetramethyl-1,2,3,4- tetrahydronaphthalene","","- C19 H28 Si -","- C19 H28 Si -","- C76 H112 Si4 -","4","1","","Christie, Victoria B.; Barnard, Jonathan H.; Batsanov, Andrei S.; Bridgens, Caroline E.; Cartmell, Emily B.; Collings, Jonathan C.; Maltman, Daniel J.; Redfern, Christopher P. F.; Marder, Todd B.; Przyborski, Stefan; Whiting, Andrew","Synthesis and evaluation of synthetic retinoid derivatives as inducers of stem cell differentiation","Organic & Biomolecular Chemistry","2008","6","19","3497","3507","10.1039/b808574a","","","0.71073","MoKα","","0.0431","0.0349","","","0.0772","0.0813","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151007","10.4911","0.0005","12.2289","0.0006","16.1319","0.0007","90","","90","","90","","2069.64","0.17","110","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Farran, Daniel; Parrot, Isabelle; Toupet, Loïc; Martinez, Jean; Dewynter, Georges","Transannular rearrangement of activated 2,5-diketopiperazines: a key route to original scaffolds","Organic & Biomolecular Chemistry","2008","6","21","3989","3996","10.1039/b810352f","","","0.71069","MoKα","","0.0351","0.0267","","","0.0697","0.0728","","","","","","0.724","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151010","14.3877","0.0007","16.3592","0.0007","21.4727","0.001","90","","90","","90","","5054.1","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C55 H61 F6 N3 O P2 Pd -","- C55 H61 F6 N3 O P2 Pd -","- C220 H244 F24 N12 O4 P8 Pd4 -","4","1","","Maxwell, Aoife C.; Franc, Celine; Pouchain, Laurent; Müller-Bunz, Helge; Guiry, Patrick J.","Electronically varied quinazolinaps for asymmetric catalysis","Organic & Biomolecular Chemistry","2008","6","20","3848","3853","10.1039/b810936b","","","0.71073","MoKα","","0.0367","0.0333","","","0.0761","0.0777","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151012","9.8353","0.0007","17.4256","0.0013","31.038","0.002","90","","90","","90","","5319.5","0.6","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O3 S -","- C13 H17 N O3 S -","- C208 H272 N16 O48 S16 -","16","4","","Coote, Susannah C.; O'Brien, Peter; Whitwood, Adrian C.","Stereoselective aziridination of cyclic allylic alcohols using chloramine-T","Organic & Biomolecular Chemistry","2008","6","23","4299","4314","10.1039/b811137e","","","0.71073","MoKα","","0.0645","0.06","","","0.1625","0.1647","","","","","","1.141","","","","has coordinates","180296","2020-10-21","18:00:00",""
"7151014","9.2925","0.0001","12.9908","0.0002","28.111","0.0004","90","","90","","90","","3393.48","0.08","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 N O4 -","- C36 H51 N O4 -","- C144 H204 N4 O16 -","4","1","","Tayama, Eiji; Orihara, Kiwako; Kimura, Hiroshi","New synthetic routes to optically active α-quaternary α-aryl amino acid derivatives via the diastereoselective Stevens and Sommelet‒Hauser rearrangements","Organic & Biomolecular Chemistry","2008","6","20","3673","3680","10.1039/b811162f","","","0.7107","MoKα","","","0.0572","","","","0.1235","","","","","","1.225","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151018","8.0227","0.0003","8.8488","0.0004","31.8469","0.0013","90","","90","","90","","2260.85","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N O8 P -","- C22 H32 N O8 P -","- C88 H128 N4 O32 P4 -","4","1","","Liu, Xue-Wei; Le, Thanh Nguyen; Lu, Yunpeng; Xiao, Yongjun; Ma, Jimei; Li, Xingwei","An efficient synthesis of chiral phosphinyl oxide pyrrolidines and their application to asymmetric direct aldol reactions","Organic & Biomolecular Chemistry","2008","6","21","3997","4003","10.1039/b811581h","","","0.71073","MoKα","","0.0477","0.0442","","","0.1291","0.1384","","","","","","1.127","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151024","6.48","0.0001","10.5889","0.0002","41.9162","0.0009","90","","90","","90","","2876.12","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethyl-6-(2',3',4',6'-tetra-O-acetyl-β-D-manno- pyranosyl)indolo[2,3-b]quinoxaline","","- C30 H31 N3 O9 -","- C30 H31 N3 O9 -","- C120 H124 N12 O36 -","4","1","","Driller, Katrin Marie; Libnow, Stefanie; Hein, Martin; Harms, Manuela; Wende, Kristian; Lalk, Michael; Michalik, Dirk; Reinke, Helmut; Langer, Peter","Synthesis of 6H-indolo[2,3-b]quinoxaline-N-glycosides and their cytotoxic activity against human ceratinocytes (HaCaT)","Organic & Biomolecular Chemistry","2008","6","22","4218","4223","10.1039/b812308j","","","0.71073","MoKα","","0.0551","0.0484","","","0.1196","0.1243","","","","","","1.105","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151025","6.3601","0.0002","11.2214","0.0005","35.0578","0.0015","90","","90","","90","","2502.05","0.17","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-(2',3',4'-Tri-O-acetyl-β-L-rhamnopyranosyl)indolo[2,3-b]quinoxaline","","- C26 H25 N3 O7 -","- C26 H25 N3 O7 -","- C104 H100 N12 O28 -","4","1","","Driller, Katrin Marie; Libnow, Stefanie; Hein, Martin; Harms, Manuela; Wende, Kristian; Lalk, Michael; Michalik, Dirk; Reinke, Helmut; Langer, Peter","Synthesis of 6H-indolo[2,3-b]quinoxaline-N-glycosides and their cytotoxic activity against human ceratinocytes (HaCaT)","Organic & Biomolecular Chemistry","2008","6","22","4218","4223","10.1039/b812308j","","","0.71073","MoKα","","0.051","0.0359","","","0.0832","0.0904","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151026","5.7683","0.0002","9.0468","0.0003","43.5087","0.0017","90","","90","","90","","2270.49","0.14","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O6 S -","- C24 H29 N O6 S -","- C96 H116 N4 O24 S4 -","4","1","","Paixão, Márcio W.; Nielsen, Martin; Jacobsen, Christian Borch; Jørgensen, Karl Anker","Organocatalytic asymmetric ring-opening of aziridines","Organic & Biomolecular Chemistry","2008","6","19","3467","3470","10.1039/B812369a","","x-ray","0.71073","MoKα","","0.0604","0.0514","","","0.1252","0.1296","","","","","","1.068","","","","has coordinates,has disorder","180296","2020-10-21","18:00:00",""
"7151035","6.008","0.0011","17.848","0.002","30.989","0.004","90","","90","","90","","3323","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 N O8 S -","- C36 H47 N O8 S -","- C144 H188 N4 O32 S4 -","4","1","","Chen, Qiao-Hong; Ganesh, Thota; Brodie, Peggy; Slebodnick, Carla; Jiang, Yi; Banerjee, Abhijit; Bane, Susan; Snyder, James P.; Kingston, David G. I.","Design, synthesis and biological evaluation of bridged epothilone D analogues","Organic & Biomolecular Chemistry","2008","6","24","4542","4552","10.1039/b814823f","","x-ray","1.54178","CuKα","","0.1304","0.0602","","","0.1229","0.1492","","","","","","0.804","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151036","34.899","0.007","9.3865","0.0019","7.5","0.0015","90","","90","","90","","2456.8","0.9","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 O2 -","- C27 H46 O2 -","- C108 H184 O8 -","4","1","","Martin, René; Däbritz, Frank; Entchev, Eugeni V.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Stereoselective synthesis of the hormonally active (25S)-Δ7-dafachronic acid, (25S)-Δ4-dafachronic acid, (25S)-dafachronic acid, and (25S)-cholestenoic acid","Organic & Biomolecular Chemistry","2008","6","23","4293","4295","10.1039/b815064h","","","0.71073","MoKα","","0.0706","0.0468","","","0.1065","0.1172","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151037","5.9247","0.0002","7.2417","0.0003","17.4475","0.0009","90","","90","","90","","748.58","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-2,5-dideoxy-2,5-imino-d-glucitol","","- C6 H13 N O4 -","- C6 H13 N O4 -","- C24 H52 N4 O16 -","4","1","","Donohoe, Timothy J.; Cheeseman, Matthew D.; O'Riordan, Timothy J. C.; Kershaw, Jessica A.","Synthesis of (+)-DGDP and (−)-7-epialexine","Organic & Biomolecular Chemistry","2008","6","21","3896","3898","10.1039/b815332a","","","0.71073","MoKα","","0.0548","0.0382","","0.0978","0.0911","0.0978","","","","","","0.9153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151039","9.7582","0.0006","14.4454","0.0008","17.915","0.001","90","","90","","90","","2525.3","0.3","100","1","100","1","","","","","","","see text","2","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 -","- C34 H36 -","- C136 H144 -","4","1","","Ter Wiel, Matthijs K. J.; Kwit, Marcin G.; Meetsma, Auke; Feringa, Ben L.","Synthesis, stereochemistry, and photochemical and thermal behaviour of bis-tert-butyl substituted overcrowded alkenes.","Organic & biomolecular chemistry","2007","5","1","87","96","10.1039/b611070c","","","0.71073","MoKα","","0.0396","0.0341","","","0.0818","0.0838","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151042","11.581","0.0004","14.4762","0.0005","17.7027","0.0007","90","","90","","90","","2967.84","0.19","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N7 O6 -","- C31 H33 N7 O6 -","- C124 H132 N28 O24 -","4","1","","Tan, T. H. Samuel; Worthington, Roberta J.; Pritchard, Robin G.; Morral, Jordi; Micklefield, Jason","Homopolymeric pyrrolidine-amide oligonucleotide mimics: Fmoc-synthesis and DNA/RNA binding properties.","Organic & biomolecular chemistry","2007","5","2","239","248","10.1039/b613384n","","x-ray","0.71073","MoKα","","0.0891","0.045","","","0.0771","0.0903","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151044","7.7564","0.0009","13.3948","0.0009","25.589","0.003","90","","90","","90","","2658.6","0.5","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 N7 O6 -","- C24 H35 N7 O6 -","- C96 H140 N28 O24 -","4","1","","Worthington, Roberta J.; O'Rourke, Adam P; Morral, Jordi; Tan, T. H. Samuel; Micklefield, Jason","Mixed-sequence pyrrolidine-amide oligonucleotide mimics: Boc(Z) synthesis and DNA/RNA binding properties.","Organic & biomolecular chemistry","2007","5","2","249","259","10.1039/b613386j","","x-ray","0.71073","MoKα","","0.2379","0.0956","","","0.2102","0.3014","","","","","","1.02","","","","has coordinates,has disorder","180296","2020-10-21","18:00:00",""
"7151045","4.9735","0.0007","10.531","0.002","17.521","0.003","90","","90","","90","","917.7","0.3","100","1","100","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 Cl O -","- C10 H11 Cl O -","- C40 H44 Cl4 O4 -","4","1","","Haak, Robert M.; Tarabiono, Chiara; Janssen, Dick B.; Minnaard, Adriaan J.; de Vries, Johannes G.; Feringa, Ben L.","Synthesis of enantiopure chloroalcohols by enzymatic kinetic resolution.","Organic & biomolecular chemistry","2007","5","2","318","323","10.1039/b613937j","","","0.71073","MoKα","","0.0337","0.0311","","","0.0687","0.0698","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151064","5.148","0.0001","15.808","0.0003","21.3073","0.0005","90","","90","","90","","1733.98","0.06","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O2 -","- C20 H20 Cl N O2 -","- C80 H80 Cl4 N4 O8 -","4","1","","Chen, Wei; Du, Wei; Yue, Lei; Li, Rui; Wu, Yong; Ding, Li-Sheng; Chen, Ying-Chun","Organocatalytic enantioselective indole alkylations of alpha,beta-unsaturated ketones.","Organic & biomolecular chemistry","2007","5","5","816","821","10.1039/b616504d","","","0.71073","MoKα","","0.0302","0.0296","","","0.0778","0.0782","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151097","8.4065","0.0012","9.6892","0.0014","26.482","0.004","90","","90","","90","","2157","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 N O2 -","- C26 H29 N O2 -","- C104 H116 N4 O8 -","4","1","","McGhee, Andrea M.; Kizirian, Jean-Claude; Procter, David J.","Synthesis and evaluation of a new polymer-supported pseudoephedrine auxiliary for asymmetric alkylations on solid phase.","Organic & biomolecular chemistry","2007","5","7","1021","1024","10.1039/b700477j","","","0.71073","MoKα","","0.0487","0.0456","","","0.1124","0.1144","","","","","","1.177","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151100","11.264","0.0002","16.634","0.0003","17.048","0.0002","90","","90","","90","","3194.2","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H43 N O4 -","- C38 H43 N O4 -","- C152 H172 N4 O16 -","4","1","","Davies, Stephen G.; Roberts, Paul M.; Smith, Andrew D.","Asymmetric three- and [2 + 1]-component conjugate addition reactions for the stereoselective synthesis of polysubstituted piperidinones.","Organic & biomolecular chemistry","2007","5","9","1405","1415","10.1039/b701226h","","","0.71069","MoKα","","","0.0253","","","","0.031","","","","","","0.9146","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151101","9.416","0.002","13.56","0.003","15.727","0.003","90","","90","","90","","2008","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dimethyl 2-(N-benzyl-N'-isopropylimidazolin-2-ylidene)-3- thioxobutanedioate","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C76 H88 N8 O16 S4 -","4","1","","Zhu, Qing; Liu, Mei-Fang; Wang, Bo; Cheng, Ying","An unprecedented tandem 1,3-dipolar cycloaddition-cheletropic elimination: a facial approach to novel push-pull olefins.","Organic & biomolecular chemistry","2007","5","8","1282","1286","10.1039/b701326d","","","0.71073","MoKα","","0.0586","0.0358","","","0.078","0.0875","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151103","10.052","0.002","15.052","0.003","42.205","0.008","90","","90","","90","","6386","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N3 O2 -","- C27 H21 N3 O2 -","- C324 H252 N36 O24 -","12","3","","Bouet, Alexis; Deguest, Geoffrey; Heller, Barbara; Papamicaël, Cyril; Dupas, Georges; Oudeyer, Sylvain; Marsais, Francis; Levacher, Vincent","Preparation of new axially chiral bridged 2,2'-bipyridines and pyridyl monooxazolines (pymox). Evaluation in copper(I)-catalyzed enantioselective cyclopropanation.","Organic & biomolecular chemistry","2007","5","9","1397","1404","10.1039/b701549f","","","0.71073","MoKα","","0.0859","0.0684","","","0.182","0.1931","","","","","","1.023","","","","has coordinates,has disorder","180297","2020-10-21","18:00:00",""
"7151106","10.9131","0.0002","13.5228","0.0002","20.2901","0.0003","90","","90","","90","","2994.33","0.08","105","2","105","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Sp)-8-(2-Furyl)adenosine-2'-O-(tert-butyldimethylsilyl)- 3',5'-cyclic N-phenylphosphoramidate","(Sp)-8-(2-Furyl)adenosine-2'-O-(tert-butyldimethylsilyl)-3',5'-cyclic N- phenylphosphoramidate","","- C26 H33 N6 O6 P Si -","- C26 H33 N6 O6 P Si -","- C104 H132 N24 O24 P4 Si4 -","4","1","","Andrei, Mioara; Bjørnstad, Vidar; Langli, Geir; Rømming, Christian; Klaveness, Jo; Taskén, Kjetil; Undheim, Kjell","Stereoselective preparation of (RP)-8-hetaryladenosine-3',5'-cyclic phosphorothioic acids.","Organic & biomolecular chemistry","2007","5","13","2070","2080","10.1039/b702403g","","","0.71073","MoKα","","0.0252","0.0244","","","0.065","0.066","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151107","10.8533","0.0005","13.3879","0.0006","20.9242","0.0009","90","","90","","90","","3040.3","0.2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Sp)-8-(2-Furyrl)adenosine-2'-O-(tert-butylmethylsilyl)-3',5'- cyclic N-benzylphosphoramidate","(Sp)-8-(2-Furyrl)adenosine-2'-O-(tert-butylmethylsilyl)-3',5'-cyclic N- benzylphosphoramidate","","- C27 H35 N6 O6 P Si -","- C27 H35 N6 O6 P Si -","- C108 H140 N24 O24 P4 Si4 -","4","1","","Andrei, Mioara; Bjørnstad, Vidar; Langli, Geir; Rømming, Christian; Klaveness, Jo; Taskén, Kjetil; Undheim, Kjell","Stereoselective preparation of (RP)-8-hetaryladenosine-3',5'-cyclic phosphorothioic acids.","Organic & biomolecular chemistry","2007","5","13","2070","2080","10.1039/b702403g","","","0.71073","MoKα","","0.0416","0.032","","","0.0802","0.0857","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151113","7.5396","0.0001","7.9351","0.0002","43.1982","0.0006","90","","90","","90","","2584.44","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-(4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl)-1-(2,3,5-tri-O- acetyl-beta-D-ribofuranosyl)-1,2,4-triazole-5-carboxylic acid methyl ester","3-[4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl]-1-(2,3,5-tri-O-acetyl-beta- D-ribofuranosyl)-1,2,4-triazole-5-carboxylic acid methyl ester","","- C24 H26 N6 O10 -","- C24 H26 N6 O10 -","- C96 H104 N24 O40 -","4","1","","Xia, Yi; Li, Wei; Qu, Fanqi; Fan, Zhijin; Liu, Xiufeng; Berro, Charles; Rauzy, Evelyne; Peng, Ling","Synthesis of bitriazolyl nucleosides and unexpectedly different reactivity of azidotriazole nucleoside isomers in the Huisgen reaction.","Organic & biomolecular chemistry","2007","5","11","1695","1701","10.1039/b703420b","","","0.71073","MoKα","","0.0859","0.0613","","","0.1449","0.1791","","","","","","1.317","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151123","9.415","0.0001","33.845","0.0004","9.568","0.0002","90","","90","","90","","3048.85","0.08","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 N3 O7 -","- C31 H43 N3 O7 -","- C124 H172 N12 O28 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Ouzman, Jaqueline V. A.; Roberts, Paul M.; Smith, Andrew D.; Snow, Emma J.; Thomson, James E.; Tamayo, Juan A.; Vickers, Richard J.","Diastereoselective synthesis of quaternary alpha-amino acids from diketopiperazine templates.","Organic & biomolecular chemistry","2007","5","13","2138","2147","10.1039/b704475e","","","0.71073","MoKα","","0.0839","0.0718","","0.0845","0.0722","0.0722","","","","","","0.96","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151126","7.2231","0.0003","9.3503","0.0004","17.2474","0.0006","90","","90","","90","","1164.86","0.08","150","","150","","","","","","","","?","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O4 -","- C13 H18 O4 -","- C52 H72 O16 -","4","1","","McGowan, Craig A.; Schmieder, Ann-Kathrin; Roberts, Lee; Greaney, Michael F.","Synthesis of the guanacastepene A-B hydrazulene ring system through photochemical ring transposition.","Organic & biomolecular chemistry","2007","5","10","1522","1524","10.1039/b704865c","","","0.71073","MoKα","","0.0664","0.0501","","0.1074","0.1","0.1074","","","","","","0.8705","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151134","6.052","0.0001","23.756","0.0005","23.944","0.0005","90","","90","","90","","3442.46","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H46 O6 -","- C39 H46 O6 -","- C156 H184 O24 -","4","1","","Risseeuw, Martijn D. P.; Mazurek, Jaroslaw; van Langenvelde, Arjan; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Synthesis of alkylated sugar amino acids: conformationally restricted L-Xaa-L-Ser/Thr mimics.","Organic & biomolecular chemistry","2007","5","14","2311","2314","10.1039/b705750d","","","0.71073","MoKα","","0.0747","0.0465","","","0.0858","0.0965","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151145","8.6876","0.0002","14.8422","0.0003","22.3552","0.0004","90","","90","","90","","2882.55","0.1","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O4 -","- C32 H38 N2 O4 -","- C128 H152 N8 O16 -","4","1","","Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives.","Organic & biomolecular chemistry","2007","5","17","2812","2825","10.1039/b707689d","","","0.71073","MoKα","","0.0528","0.0375","","0.056","0.0433","0.0433","","","","","","1.0991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151146","11.5661","0.0002","12.049","0.0002","20.5677","0.0004","90","","90","","90","","2866.31","0.09","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H40 N2 O4 -","- C29 H40 N2 O4 -","- C116 H160 N8 O16 -","4","1","","Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E.","Asymmetric synthesis of beta2-amino acids: 2-substituted-3-aminopropanoic acids from N-acryloyl SuperQuat derivatives.","Organic & biomolecular chemistry","2007","5","17","2812","2825","10.1039/b707689d","","","0.71073","MoKα","","0.0676","0.0426","","0.0661","0.0502","0.0502","","","","","","1.0963","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151163","9.3614","0.0007","10.3321","0.0004","20.0889","0.0015","90","","90","","90","","1943.1","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5S,6S-5,6-bis((4'R)-2',2'-dimethyl-1,3-dioxolan-4'-yl)-5,6- dihydro-1,3-dithiolo(4,5-b)1,4-dithiin-2-thione","5S,6S-5,6-bis((4'R)-2',2'-dimethyl-1,3-dioxolan-4'-yl)-5,6-dihydro-1,3- dithiolo[4,5-b]1,4-dithiin-2-thione","","- C15 H20 O4 S5 -","- C15 H20 O4 S5 -","- C60 H80 O16 S20 -","4","1","","Brown, R. James; Brooks, Andrew C.; Griffiths, Jon-Paul; Vital, Betrand; Day, Peter; Wallis, John D.","Synthesis of bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) derivatives functionalised with two, four or eight hydroxyl groups.","Organic & biomolecular chemistry","2007","5","19","3172","3182","10.1039/b709823e","","","0.71073","MoKα","","0.1543","0.0607","","","0.0985","0.1153","","","","","","0.87","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151165","7.5636","0.0011","10.4554","0.0016","15.375","0.002","90","","90","","90","","1215.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O4 S -","- C12 H12 O4 S -","- C48 H48 O16 S4 -","4","1","","Evans, Lyndsay Ann; Adams, Harry; Barber, Christopher G.; Caggiano, Lorenzo; Jackson, Richard F. W.","Stereoselective synthesis of 2,3-difunctionalised thioesters using nucleophilic epoxidation of 1-arylthio-1-nitroalkenes.","Organic & biomolecular chemistry","2007","5","19","3156","3163","10.1039/b710237b","","","0.71073","MoKα","","0.0398","0.0315","","","0.077","0.0803","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151170","11.1024","0.0004","13.8168","0.0005","26.9261","0.0009","90","","90","","90","","4130.5","0.3","295","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H34 Cl2 N2 O6 P2 Pt -","- C42 H30 Cl2 N2 O6 P2 Pt -","- C168 H120 Cl8 N8 O24 P8 Pt4 -","4","1","","Eberhardt, Luc; Armspach, Dominique; Matt, Dominique; Oswald, Benoît; Toupet, Loic","Efficient asymmetric hydrogenation of olefins with hydrazine-derived diphosphoramidites.","Organic & biomolecular chemistry","2007","5","20","3340","3346","10.1039/b710576b","","","0.71069","MoKα","","0.051","0.0422","","","0.1143","0.1181","","","","","","1.03","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151174","5.3478","0.001","13.519","0.003","23.99","0.005","90","","90","","90","","1734.4","0.6","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","1","","Mikata, Yuji; Aida, Shiho; Inaba, Yoko; Yano, Shigenobu","Consideration of molecular arrangements in regio- and enantioselective reduction of an NAD model compound controlled by carbonyl oxygen orientation.","Organic & biomolecular chemistry","2007","5","23","3834","3841","10.1039/b710780c","","","0.7107","MoKα","","","0.039","","","","0.115","","","","","","1.155","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151182","7.7577","0.0008","17.7377","0.0019","20.872","0.002","90","","90","","90","","2872.1","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(2R,3R,4S)-1-(Toluene-4-sulfonyl)-2-(carbamoyloxymethyl) -3,4- epoxypyrrolidine","(2R,3R,4S)-1-(Toluene-4-sulfonyl)-2-(carbamoyloxymethyl) -3,4-epoxypyrrolidine","","- C13 H16 N2 O5 S -","- C13 H16 N2 O5 S -","- C104 H128 N16 O40 S8 -","8","2","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.0482","0.0384","","","0.0673","0.0699","","","","","","0.914","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151184","7.5443","0.0006","10.6588","0.0009","17.4366","0.0015","90","","90","","90","","1402.1","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(2R,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-bromo-4- hydroxypyrrolidine","(2R,3R,4R)-1-(Toluene-4-sulfonyl)-2-hydroxymethyl-3-bromo-4-hydroxypyrrolidine","","- C12 H16 Br N O4 S -","- C12 H16 Br N O4 S -","- C48 H64 Br4 N4 O16 S4 -","4","1","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.0273","0.0255","","","0.0657","0.0661","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151186","5.6923","0.0007","15.7807","0.0017","33.089","0.004","90","","90","","90","","2972.3","0.6","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N2 O5 S -","- C6.5 H7.5 N O2.5 S0.5 -","- C52 H60 N8 O20 S4 -","8","2","","Curtis, Kim L.; Evinson, Emma L.; Handa, Sandeep; Singh, Kuldip","Asymmetric synthesis of 3-amino-4-hydroxy-2-(hydroxymethyl)pyrrolidines as potential glycosidase inhibitors.","Organic & biomolecular chemistry","2007","5","21","3544","3553","10.1039/b711994a","","","0.71073","MoKα","","0.0833","0.0582","","","0.1165","0.1274","","","","","","0.986","","","","has coordinates","180297","2020-10-21","18:00:00",""
"7151192","7.893","0.002","14.212","0.003","28.551","0.006","90","","90","","90","","3202.7","1.3","301","1","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35 Br N3 O3 Re -","- C34 H35 Br N3 O3 Re -","- C136 H140 Br4 N12 O12 Re4 -","4","1","","Yeung, Chi-Tung; Teng, Pang-Fei; Yeung, Ho-Lun; Wong, Wing-Tak; Kwong, Hoi-Lun","Catalytic and asymmetric cyclopropanation of alkenes catalysed by rhenium(I) bipyridine and terpyridine tricarbonyl complexes.","Organic & biomolecular chemistry","2007","5","23","3859","3864","10.1039/b712995e","","","0.71073","MoKα","","","0.029","","","","0.029","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151200","7.8387","0.0015","11.645","0.002","15.4763","0.0018","90","","90","","90","","1412.7","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 F2 O2 S -","- C16 H14 F2 O2 S -","- C64 H56 F8 O8 S4 -","4","1","","Wyatt, Paul; Hudson, Andrew; Charmant, Jonathan; Orpen, A. Guy; Phetmung, Hirihattaya","Synthesis and chemistry of enantiomerically pure 10,11-dihydrodibenzo[b,f]thiepines.","Organic & biomolecular chemistry","2006","4","11","2218","2232","10.1039/b516606c","","","0.71073","MoKα","","0.0295","0.0264","","","0.0644","0.0667","","","","","","1.092","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151204","5.644","0.0001","8.477","0.0002","25.121","0.0005","90","","90","","90","","1201.89","0.04","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Mitchell, Claire E. T.; Brenner, Stacey E.; García-Fortanet, Jorge; Ley, Steven V.","An efficient, asymmetric organocatalyst-mediated conjugate addition of nitroalkanes to unsaturated cyclic and acyclic ketones.","Organic & biomolecular chemistry","2006","4","10","2039","2049","10.1039/b601877g","","","0.71073","MoKα","","0.0341","0.0312","","","0.0752","0.077","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151217","8.1371","0.0001","9.7341","0.0001","26.6319","0.0004","90","","90","","90","","2109.44","0.05","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 S2 -","- C21 H30 O4 S2 -","- C84 H120 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0438","0.0338","","","0.0778","0.0821","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151218","8.1836","0.0001","11.8557","0.0002","21.3327","0.0004","90","","90","","90","","2069.75","0.06","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 S2 -","- C21 H30 O4 S2 -","- C84 H120 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0372","0.0344","","","0.0893","0.0916","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151220","5.5259","0.0004","10.0212","0.0007","34.6","0.002","90","","90","","90","","1916","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Derived Allylic Alcohols","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Markad, Shankar D.; Karanjule, Narayan S.; Sharma, Tarun; Sabharwal, Sushma G.; Puranik, Vedavati G.; Dhavale, Dilip D.","Synthesis of tetrahydroxy perhydroaza-azulenes: tandem Johnson-Claisen rearrangement of D-glucose-derived allylic alcohols.","Organic & biomolecular chemistry","2006","4","13","2549","2555","10.1039/b603545k","","","0.71073","MoKα","","0.0694","0.0622","","","0.1473","0.1516","","","","","","1.178","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151224","9.7734","0.0011","13.3223","0.0016","20.38","0.002","90","","90","","90","","2653.6","0.5","150","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Cl2 N O5 S -","- C23 H33 Cl2 N O5 S -","- C92 H132 Cl8 N4 O20 S4 -","4","1","","Besong, Gilbert; Jarowicki, Krzysztof; Kocienski, Philip J.; Sliwinski, Eric; Boyle, F. Thomas","Synthesis of (S)-(-)-N-acetylcolchinol using intramolecular biaryl oxidative coupling.","Organic & biomolecular chemistry","2006","4","11","2193","2207","10.1039/b603857c","","","0.71073","MoKα","","0.0744","0.0545","","","0.1448","0.1601","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151228","10.0407","0.0013","15.0369","0.0016","22.816","0.003","90","","90","","90","","3444.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 N4 O4 -","- C40 H40 N4 O4 -","- C160 H160 N16 O16 -","4","1","","Srimurugan, Sankareswaran; Viswanathan, Balasubramanian; Varadarajan, Thirukallam Kanthadai; Varghese, Babu","Synthesis and crystal structure of [2 + 2] calixsalens.","Organic & biomolecular chemistry","2006","4","16","3044","3047","10.1039/b604003a","","","1.5418","CuKα","","0.0433","0.0349","","","0.0945","0.1005","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151231","5.9454","0.0002","8.1078","0.0003","18.0676","0.0006","90","","90","","90","","870.93","0.05","190","","190","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0317","0.028","","0.0361","0.0326","0.0326","","","","","","1.0885","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151232","9.2401","0.0001","10.581","0.0001","46.9695","0.0005","90","","90","","90","","4592.18","0.08","100","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C192 H240 N16 O32 -","16","4","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0896","0.0667","","0.0607","0.0478","0.0478","","","","","","1.0322","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151239","9.7318","0.0013","18.078","0.002","20.751","0.003","90","","90","","90","","3650.8","0.8","396","2","396","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","6-Bn","","","- C36 H40 Br Cl4 N3 O2 -","- C36 H40 Br Cl4 N3 O2 -","- C144 H160 Br4 Cl16 N12 O8 -","4","1","","Dálaigh, Ciarán O; Hynes, Stephen J.; O'Brien, John E; McCabe, Thomas; Maher, Declan J.; Watson, Graeme W.; Connon, Stephen J.","Asymmetric acyl-transfer promoted by readily assembled chiral 4-N,N-dialkylaminopyridine derivatives.","Organic & biomolecular chemistry","2006","4","14","2785","2793","10.1039/b604632k","","","0.71073","MoKα","","0.0885","0.0777","","","0.1786","0.184","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151244","7.69","0.05","9.26","0.05","17.15","0.05","90","","90","","90","","1221","11","298","","","","","","","","","","K. Okuma","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 S -","- C13 H18 O2 S -","- C52 H72 O8 S4 -","4","1","","Okuma, Kentaro; Koda, Masahiro; Maekawa, Shinobu; Shioji, Kosei; Inoue, Tohru; Kurisaki, Tsutomu; Wakita, Hisanobu; Yokomori, Yoshinobu","Reaction of thioketones with propiolic acids.","Organic & biomolecular chemistry","2006","4","14","2745","2752","10.1039/b605068a","","","0.71069","MoKα","","0.0781","0.0485","","","0.1291","0.1502","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151246","7.2402","0.0001","11.8197","0.0002","18.467","0.0005","90","","90","","90","","1580.35","0.05","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0387","0.0318","","0.0446","0.0396","0.0396","","","","","","1.0818","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151261","8.7353","0.0007","9.81","0.0008","18.0556","0.0014","90","","90","","90","","1547.2","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05315","","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","1","","Zhang, Xuejun; Hsung, Richard P.; You, Lingfeng","Tandem azidination- and hydroazidination-Huisgen [3 + 2] cycloadditions of ynamides. Synthesis of chiral amide-substituted triazoles.","Organic & biomolecular chemistry","2006","4","14","2679","2682","10.1039/b606680a","","","0.71073","MoKα","","0.0423","0.0332","","","0.0768","0.0837","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151264","5.9419","0.0001","14.361","0.0003","26.6529","0.0007","90","","90","","90","","2274.34","0.09","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O3 P -","- C29 H27 O3 P -","- C116 H108 O12 P4 -","4","1","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0565","0.0458","","","0.102","0.1075","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151267","5.8203","0.001","11.4038","0.0002","37.8022","0.0009","90","","90","","90","","2509.1","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl O4 P -","- C27 H30 Cl O4 P -","- C108 H120 Cl4 O16 P4 -","4","1","","Fox, David J.; Pedersen, Daniel Sejer; Petersen, Asger B.; Warren, Stuart","Diphenylphosphinoyl chloride as a chlorinating agent‒the selective double activation of 1,2-diols.","Organic & biomolecular chemistry","2006","4","16","3117","3119","10.1039/b606881b","","","0.71073","MoKα","","0.0602","0.0527","","","0.1271","0.1315","","","","","","1.162","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151274","10.0545","0.0008","15.0943","0.0013","21.3967","0.0015","90","","90","","90","","3247.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 F12 N4 O3 -","- C29 H32 F12 N4 O3 -","- C116 H128 F48 N16 O12 -","4","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1547","0.048","","","0.0907","0.1156","","","","","","0.879","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151277","11.8168","0.0003","16.6626","0.0006","18.2008","0.0005","90","","90","","90","","3583.71","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N3 O -","- C18 H29 N3 O -","- C144 H232 N24 O8 -","8","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1234","0.0515","","","0.0843","0.1019","","","","","","0.988","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151278","11.5762","0.0004","12.734","0.0004","16.3923","0.0006","90","","90","","90","","2416.41","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N3 S -","- C10 H21 N3 S -","- C80 H168 N24 S8 -","8","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0535","0.035","","","0.0655","0.0696","","","","","","0.963","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151280","9.1661","0.0004","11.3191","0.0006","15.5757","0.0008","90","","90","","90","","1616.01","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N3 O -","- C17 H27 N3 O -","- C68 H108 N12 O4 -","4","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0475","0.0339","","","0.0683","0.0724","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151295","7.1485","0.0011","13.16","0.002","14.239","0.002","90","","90","","90","","1339.5","0.3","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 I N O -","- C11 H22 I N O -","- C44 H88 I4 N4 O4 -","4","1","","Gawley, Robert E.; Eddings, Daniel B.; Santiago, Marcelina; Vicic, Davic A.","Diastereoselectivity of polar and radical couplings in electrophilic substitutions of rigid 2-lithio-N-methylpyrrolidines.","Organic & biomolecular chemistry","2006","4","23","4285","4291","10.1039/b608013h","","","0.7107","MoKα","","","0.0534","","","","0.1033","","","","","","1.762","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151298","12.865","0.011","15.761","0.011","19.557","0.011","90","","90","","90","","3965","5","210","2","210","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Br N O2 -","- C23 H19 Br N O2 -","- C184 H152 Br8 N8 O16 -","8","2","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.218","0.111","","0.24","0.175","","","","1.33","1.37","1.37","","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151299","9.5722","0.0011","11.5881","0.0013","23.044","0.003","90","","90","","90","","2556.1","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O5 -","- C27 H35 N O5 -","- C108 H140 N4 O20 -","4","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0359","0.0297","","","0.0753","0.0787","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151305","6.297","0.003","11.589","0.005","22.503","0.009","90","","90","","90","","1642.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pivaloyl-prolyl-beta-glycyl-N-methyl amide","pivaloyl-prolyl-beta-glycyl-N-methyl amide","","- C14 H27 N3 O4 -","- C14 H27 N3 O4 -","- C56 H108 N12 O16 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0487","0.0439","","","0.1211","0.1246","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151306","6.157","0.002","11.547","0.004","23.404","0.008","90","","90","","90","","1663.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pivaloyl-prolyl-beta-glycyl-methyl ester","pivaloyl-prolyl-beta-glycyl-methyl ester","","- C14 H26 N2 O5 -","- C14 H26 N2 O5 -","- C56 H104 N8 O20 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0556","0.05","","","0.1379","0.1428","","","","","","1.124","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151322","9.2512","0.0015","19.807","0.003","34.048","0.005","90","","90","","90","","6238.9","1.7","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63.53 H64.29 Cl N7.76 O6 -","- C63.528 H64.292 Cl N7.764 O6 -","- C254.112 H257.168 Cl4 N31.056 O24 -","4","1","","Zhang, Weicheng; Wu, Shulin; Zhang, Zhaoguo; Yennawar, Hemant; Zhang, Xumu","Practical synthesis of chiral 9,9'-spirobixanthene-1,1'-diol.","Organic & biomolecular chemistry","2006","4","24","4474","4477","10.1039/b610879b","","","0.71073","MoKα","","0.0795","0.067","","","0.1627","0.169","","","","","","1.07","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151345","6.853","0.0002","9.6726","0.0003","21.2802","0.0007","90","","90","","90","","1410.59","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O5 S -","- C13 H15 Cl O5 S -","- C52 H60 Cl4 O20 S4 -","4","1","","Alonso, A. Mateo; Horcajada, Roberto; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.","The reactivity, as electrogenerated bases, of chiral and achiral phenazine radical-anions, including application in asymmetric deprotonation.","Organic & biomolecular chemistry","2005","3","15","2842","2847","10.1039/b506309d","","","0.71073","MoKα","","0.0309","0.0276","","","0.0666","0.0683","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151357","5.5947","0.0009","9.6504","0.0017","31.93","0.006","90","","90","","90","","1723.9","0.5","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","Sorensen, John L.; Auclair, Karine; Kennedy, Jonathan; Richard Hutchinson, C.; Vederas, John C.","Transformations of cyclic nonaketides by Aspergillus terreus mutants blocked for lovastatin biosynthesis at the lovA and lovC genes","Organic & Biomolecular Chemistry","2003","1","1","50","","10.1039/b207721c","","","0.71073","MoKα","","0.2881","0.062","","","0.1103","0.2159","","","","","","0.779","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151358","5.5318","0.0011","9.7123","0.0019","32.163","0.007","90","","90","","90","","1728","0.6","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O4 -","- C19 H30 O4 -","- C76 H120 O16 -","4","1","","Sorensen, John L.; Auclair, Karine; Kennedy, Jonathan; Richard Hutchinson, C.; Vederas, John C.","Transformations of cyclic nonaketides by Aspergillus terreus mutants blocked for lovastatin biosynthesis at the lovA and lovC genes","Organic & Biomolecular Chemistry","2003","1","1","50","","10.1039/b207721c","","","0.71073","MoKα","","0.0885","0.0538","","","0.0944","0.1044","","","","","","1.016","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151363","7.7426","0.0003","12.4048","0.0005","24.867","0.001","90","","90","","90","","2388.36","0.16","100","","100","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O2 S2 -","- C29 H24 N2 O2 S2 -","- C116 H96 N8 O8 S8 -","4","1","","van Delden, Richard A.; Koumura, Nagatoshi; Schoevaars, Annemarie; Meetsma, Auke; Feringa, Ben L.","A donor–acceptor substituted molecular motor: unidirectional rotation driven by visible light","Organic & Biomolecular Chemistry","2003","1","1","33","35","10.1039/b209378b","","","0.71073","MoKα","","0.0291","0.0285","","","0.0763","0.0769","","","","","","1.037","","","","has coordinates","288193","2023-12-08","17:12:24",""
"7151365","12.3997","0.0002","20.171","0.0004","30.6428","0.0006","90","","90","","90","","7664.2","0.2","100","2","100","2","","","","","","","Sandoz-Novartis","4","P 21 21 21","P 2ac 2ab","19","cyclosporin G","cyclosporin G crystal form I ex MeOH LT","","- C63.5 H119.8 N11 O14.9 -","- C63.5 H119.8 N11 O14.9 -","- C254 H479.2 N44 O59.6 -","4","1","","Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z.","Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution","Organic & Biomolecular Chemistry","2003","1","9","1466","","10.1039/b210086j","","","0.71073","MoKα","","0.1427","0.0661","","","0.1489","0.1813","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151366","12.43","0.0017","20.256","0.003","30.617","0.004","90","","90","","90","","7708.8","1.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclosporin G","cyclosporin G crystal form II ex MeOH and Mg (ClO4)2 LT","","- C64 H121.8 N11 O15.4 -","- C64 H121.8 N11 O15.4 -","- C256 H487.2 N44 O61.6 -","4","1","","Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z.","Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution","Organic & Biomolecular Chemistry","2003","1","9","1466","","10.1039/b210086j","","","0.71073","MoKα","","0.0726","0.0558","","","0.1386","0.1485","","","","","","1.042","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151367","17.2986","0.0008","19.69","0.001","24.137","0.004","90","0","90","0","90","0","8221.3","1.5","293","2","293","2","","","","","","","Sandoz-Novartis","4","P 21 21 21","P 2ac 2ab","19","cyclosporin H","cyclosporin H crystal form I ex MeOH RT","","- C62 H123 N11 O18 -","- C62 H123 N11 O18 -","- C248 H492 N44 O72 -","4","1","","Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z.","Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution","Organic & Biomolecular Chemistry","2003","1","9","1466","","10.1039/b210086j","","","1.5418","CuKα","","0.1343","0.0892","","","0.2212","0.2418","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151368","17.358","0.002","19.515","0.001","23.225","0.003","90","0","90","0","90","0","7867.3","1.4","293","2","293","2","","","","","","","Sandoz-Novartis","4","P 21 21 21","P 2ac 2ab","19","cyclosporin H","cyclosporin H crystal form II ex MeOH+Mg(ClO4)2 RT","","- C62 H123.8 N11 O18.4 -","- C62 H123.8 N11 O18.4 -","- C248 H495.2 N44 O73.6 -","4","1","","Potter, Brian; Palmer, Rex A.; Withnall, Robert; Jenkins, Terence C.; Chowdhry, Babur Z.","Two new cyclosporin folds observed in the structures of the immunosuppressant cyclosporin G and the formyl peptide receptor antagonist cyclosporin H at ultra-high resolution","Organic & Biomolecular Chemistry","2003","1","9","1466","","10.1039/b210086j","","","1.5418","CuKα","","0.0937","0.0582","","","0.1429","0.1555","","","","","","0.964","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151372","11.4989","0.0005","14.7712","0.0008","25.141","0.0016","90","","90","","90","","4270.3","0.4","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H50 N4 -","- C54 H50 N4 -","- C216 H200 N16 -","4","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.076","0.0326","","","0.0487","0.0558","","","","","","0.73","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151374","6.1546","0.0005","13.5496","0.0013","17.5877","0.0016","90","","90","","90","","1466.7","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br N2 -","- C17 H17 Br N2 -","- C68 H68 Br4 N8 -","4","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","0.71073","MoKα","","0.0705","0.0315","","","0.051","0.0574","","","","","","0.783","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151376","6.5403","0.0008","11.3397","0.001","20.395","0.002","90","","90","","90","","1512.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br N2 -","- C17 H17 Br N2 -","- C68 H68 Br4 N8 -","4","1","","Mathias Düggeli; Catherine Goujon-Ginglinger; Sarah Richard Ducotterd; David Mauron; Christophe Bonte; Alexander von Zelewsky; Helen Stoeckli-Evans; Antonia Neels","Synthetic routes for a new family of chiral tetradentate ligands containing pyridine rings","Org. Biomol. Chem.","2003","1","11","1894","1899","10.1039/b210625f","","","1.5418","CuKα","","0.032","0.0314","","","0.0801","0.0808","","","","","","1.075","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151398","12.3217","0.0002","15.4829","0.0002","22.9369","0.0002","90","","90","","90","","4375.8","0.1","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 N4 O6 Si Zn -","- C49 H48 N4 O6 Si Zn -","- C196 H192 N16 O24 Si4 Zn4 -","4","1","","Felber, Beatrice; Calle, Carlos; Seiler, Paul; Schweiger, Arthur; Diederich, François","Dendritic metalloporphyrins with a distal H-bond donor as mimics of haemoglobinElectronic supplementary information (ESI) available: procedures for the synthesis of 1 and 5 and iron(ii) insertion into the dendritic porphyrins including full spectral characterisation and complete EPR characterisation of the complex 22·Co(dmim) and the corresponding oxygenated complex. See http://www.rsc.org/suppdata/ob/b2/b212468h/","Organic & Biomolecular Chemistry","2003","1","7","1090","","10.1039/b212468h","","","0.7107","MoKα","","0.0472","0.037","","","0.0765","0.0813","","","","","","1.036","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151412","8.519","0.001","9.782","0.001","18.631","0.002","90","","90","","90","","1552.6","0.3","294","1","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-OXO-4B,6B-DIYL-S(S)-CYCLIC SULPHITE","1-OXO-4B,6B-DIYL-S(S)-CYCLIC SULPHITE","","- C15 H24 O4 S -","- C15 H24 O4 S -","- C60 H96 O16 S4 -","4","1","","Andrés García-Granados; María C. Gutiérrez; Francisco Rivas","Improved microbiological hydroxylation of sesquiterpenoids: semisynthesis, structural determination and biotransformation studies of cyclic sulfite eudesmane derivatives","Org. Biomol. Chem.","2003","1","13","2314","2320","10.1039/b301577g","","","0.71073","MoKα","","0.0535","0.0409","","","0.1006","0.1086","","","","","","1.028","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151440","10.066","0.001","12.92","0.002","19.424","0.002","90","","90","","90","","2526.1","0.5","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CuCl2(1-Np-box)","2,2'-Isopropylidenebis(4-(1-naphthyl)-2-oxazoline) -copper-dichloride","","- C29 H26 Cl2 Cu N2 O2 -","- C29 H26 Cl2 Cu N2 O2 -","- C116 H104 Cl8 Cu4 N8 O8 -","4","1","","Hester L. van Lingen; Wei Zhuang; Tore Hansen; Floris P. J. T. Rutjes; Karl Anker Jørgensen","Formation of optically active chromanes by catalytic asymmetric tandem oxa-Michael addition‒Friedel‒Crafts alkylation reactions","Org. Biomol. Chem.","2003","1","11","1953","1958","10.1039/b303353h","","","0.71073","MoKα","","","0.028","","","","0.035","","","","","","1.21","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151441","10.2389","0.0009","13.089","0.001","19.466","0.002","90","","90","","90","","2608.8","0.4","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CuBr2(1-Np-box)","2,2'-Isopropylidenebis(4-(1-naphthyl)-2-oxazoline) -copper-dibromide","","- C29 H26 Br2 Cu N2 O2 -","- C29 H26 Br2 Cu N2 O2 -","- C116 H104 Br8 Cu4 N8 O8 -","4","1","","Hester L. van Lingen; Wei Zhuang; Tore Hansen; Floris P. J. T. Rutjes; Karl Anker Jørgensen","Formation of optically active chromanes by catalytic asymmetric tandem oxa-Michael addition‒Friedel‒Crafts alkylation reactions","Org. Biomol. Chem.","2003","1","11","1953","1958","10.1039/b303353h","","","0.71073","MoKα","","","0.033","","","","0.035","","","","","","0.9","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151467","11.559","0.0003","11.8196","0.0003","15.3885","0.0004","90","","90","","90","","2102.42","0.09","150","","150","","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O7 -","- C21 H27 N O7 -","- C84 H108 N4 O28 -","4","1","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: versatile regioselective and diastereoselective synthesis by enamine reduction and subsequent alkylation","Organic & Biomolecular Chemistry","2003","1","11","1838","","10.1039/b303789d","","","0.71073","MoKα","","","0.0305","","","","0.0346","","","","","","1.0751","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151468","5.8063","0.0002","16.1078","0.0002","22.717","0.0004","90","","90","","90","","2124.65","0.09","150","","150","","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O7 -","- C22 H29 N O7 -","- C88 H116 N4 O28 -","4","1","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: versatile regioselective and diastereoselective synthesis by enamine reduction and subsequent alkylation","Organic & Biomolecular Chemistry","2003","1","11","1838","","10.1039/b303789d","","","0.71073","MoKα","","","0.0414","","","","0.0492","","","","","","1.0012","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151469","6.9448","0.0005","20.84","0.0015","30.325","0.002","90","","90","","90","","4388.9","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Br Cl N O4 -","- C10 H15 Br Cl N O4 -","- C120 H180 Br12 Cl12 N12 O48 -","12","3","","Paul J. Dransfield; Paul M. Gore; Ivan Prokeš; Michael Shipman; Alexandra M. Z. Slawin","Preparation and reactivity of imino glycals: stereocontrolled, divergent approach to imino sugars","Org. Biomol. Chem.","2003","1","15","2723","2733","10.1039/b303817c","","","0.71073","MoKα","","0.081","0.0349","","","0.053","0.0606","","","","","","0.733","","","","has coordinates","180300","2020-10-21","18:00:00",""
"7151470","14.089","0.003","6.305","0.002","25.875","0.005","90","","90","","90","","2298.5","1","150","","150","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 O4 S -","- C26 H26 N2 O4 S -","- C104 H104 N8 O16 S4 -","4","1","","Anwar, Muhammed; Bailey, Jonathan H.; Dickinson, Laura C.; Edwards, Hermia J.; Goswami, Rajesh; Moloney, Mark G.","Pyrrolidinones derived from (S)-pyroglutamic acid: penmacric acid and analoguesPart V. For parts I?IV see refs. 20?22, 24","Organic & Biomolecular Chemistry","2003","1","13","2364","","10.1039/b303924b","","","1.5418","CuKα","","","0.1136","","","","0.1407","","","","","","0.9854","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151474","10.2189","0.0003","15.3206","0.0005","27.7208","0.0006","90","","90","","90","","4340","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N3 O5 -","- C15 H25 N3 O5 -","- C120 H200 N24 O40 -","8","2","","Hitchcock, Peter B.; Papadopoulos, Konstantinos; Young, Douglas W.","?-Lactams as versatile synthons for homochiral ibotenate analogues with potential for activity at glutamate receptors1","Organic & Biomolecular Chemistry","2003","1","15","2670","","10.1039/b304607a","","","0.71073","MoKα","","0.0793","0.0657","","","0.1961","0.2092","","","","","","1.065","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151477","6.8589","0.0011","10.727","0.002","20.398","0.003","90","","90","","90","","1500.8","0.4","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O2 -","- C16 H26 O2 -","- C64 H104 O8 -","4","1","","Anderson, James C.; Blake, Alexander J.; Graham, Jonathan P.; Wilson, Claire","Investigation of the asymmetric ionic Diels?Alder reaction for the synthesis of cis-decalins","Organic & Biomolecular Chemistry","2003","1","16","2877","","10.1039/b305116a","","","0.71073","MoKα","","0.0485","0.0423","","","0.115","0.12","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151478","5.9429","0.001","12.548","0.002","20.128","0.004","90","","90","","90","","1501","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","1","","Anderson, James C.; Blake, Alexander J.; Graham, Jonathan P.; Wilson, Claire","Investigation of the asymmetric ionic Diels?Alder reaction for the synthesis of cis-decalins","Organic & Biomolecular Chemistry","2003","1","16","2877","","10.1039/b305116a","","","0.71073","MoKα","","0.0479","0.0365","","","0.0834","0.0876","","","","","","0.98","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151479","6.1489","0.0009","14.787","0.002","23.008","0.003","90","","90","","90","","2092","0.5","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","","Anderson, James C.; Blake, Alexander J.; Graham, Jonathan P.; Wilson, Claire","Investigation of the asymmetric ionic Diels?Alder reaction for the synthesis of cis-decalins","Organic & Biomolecular Chemistry","2003","1","16","2877","","10.1039/b305116a","","","0.71073","MoKα","","0.1432","0.0934","","","0.1562","0.1767","","","","","","1.129","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151488","17.6824","0.0003","17.9641","0.0004","11.6546","0.0003","90","","90","","90","","3702.07","0.14","253","2","253","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","(h3-Allyl)[(aS)-2-[4,4-dimethyl-oxazol-2-yl]-2^[$B!G^[(B-diphenylphosphino- 1,1^[$B!G^[(B-binaphthyl]palladium(II) hexafluoroantimonate","","","- C37 H30 F6 N O P Pd Sb -","- C40 H35 F6 N O P Pd Sb -","- C160 H140 F24 N4 O4 P4 Pd4 Sb4 -","4","1","","Hatano, Manabu; Mikami, Koichi","Highly enantioselective alkaloid synthesis via ene-type cyclizations catalyzed by cationic chiral palladium(ii) complexes of PN-ligands with an achiral oxazoline unitElectronic supplementary information (ESI) available: spectral data of substrates, cyclized products and PN-ligands and crystallographic data of Pd complexes. See http://www.rsc.org/suppdata/ob/b3/b305865b/","Organic & Biomolecular Chemistry","2003","1","22","3871","","10.1039/b305865b","","","0.71069","MoKα","","0.038","0.0343","","","0.0793","0.0807","","","","","","1.098","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151492","7.5858","0.0001","8.444","0.0001","43.4801","0.0007","90","","90","","90","","2785.1","0.07","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O7 Si -","- C28 H34 N2 O7 Si -","- C112 H136 N8 O28 Si4 -","4","1","","Fleming, Ian; Maiti, Pranab; Ramarao, Chandrashekar","Stereocontrol of 1,5-related stereocentres using an intermediate silyl group?the diastereoselectivity of nucleophilic attack on a double bond adjacent to a stereogenic centre carrying a silyl group","Organic & Biomolecular Chemistry","2003","1","22","3989","","10.1039/b305880h","","","0.71073","MoKα","","0.0654","0.0423","","","0.0776","0.0853","","","","","","1.078","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151493","7.1067","0.0001","14.8638","0.0004","26.2267","0.0007","90","","90","","90","","2770.39","0.11","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 N2 O7 Si -","- C27 H32 N2 O7 Si -","- C108 H128 N8 O28 Si4 -","4","1","","Fleming, Ian; Maiti, Pranab; Ramarao, Chandrashekar","Stereocontrol of 1,5-related stereocentres using an intermediate silyl group?the diastereoselectivity of nucleophilic attack on a double bond adjacent to a stereogenic centre carrying a silyl group","Organic & Biomolecular Chemistry","2003","1","22","3989","","10.1039/b305880h","","","0.71073","MoKα","","0.057","0.0405","","","0.0825","0.0889","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151504","5.8009","0.0002","13.1214","0.0004","18.5666","0.0005","90","","90","","90","","1413.21","0.08","150","","150","","","","","","","","synthesis as derscribed","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Godage, H. Yasmin; Chambers, David J.; Evans, Graham R.; Fairbanks, Antony J.","Stereoselective synthesis of C-glycosides from carboxylic acids: the tandem Tebbe?Claisen approachThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3772","","10.1039/b306675b","","","0.71073","MoKα","","","0.0289","","","","0.0319","","","","","","1.0546","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151505","5.1126","0.0005","14.2991","0.0002","19.1347","0.0008","90","","90","","90","","1398.85","0.15","150","","150","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Godage, H. Yasmin; Chambers, David J.; Evans, Graham R.; Fairbanks, Antony J.","Stereoselective synthesis of C-glycosides from carboxylic acids: the tandem Tebbe?Claisen approachThis is one of a number of contributions from the current members of the Dyson Perrins Laboratory to mark the end of almost 90 years of organic chemistry research in that building, as all its current academic staff move across South Parks Road to a new purpose-built laboratory.","Organic & Biomolecular Chemistry","2003","1","21","3772","","10.1039/b306675b","","","0.71073","MoKα","","","0.0315","","","","0.0355","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151508","8.6168","0.0008","9.3641","0.0009","56.595","0.003","90","","90","","90","","4566.6","0.7","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H70 N2 O12 -","- C44 H70 N2 O12 -","- C176 H280 N8 O48 -","4","1","","Critchley, P.; Clarkson, G. J.","Carbohydrate-protein interactions at interfaces: comparison of the binding of Ricinus communis lectin to two series of synthetic glycolipids using surface plasmon resonance studies.","Organic & biomolecular chemistry","2003","1","23","4148","4159","10.1039/b306784j","","","0.71073","MoKα","","0.1301","0.0652","","","0.1065","0.1276","","","","","","1.02","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151517","22.981","0.003","13.623","0.003","10.142","0.002","90","","90","","90","","3175.2","1","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 N3 O6 S3 -","- C31 H39 N3 O6 S3 -","- C124 H156 N12 O24 S12 -","4","1","","Pulacchini, Sonia; Nasser, Rima; Sibbons, Kevin F.; Motevalli, Majid; Hawkes, Geoffrey E.; Kroemer, Romano T.; Bento, Edson S.; Watkinson, Michael","Structure, modelling and dynamic behaviour of aza- and azaoxamacrocyclic ligands derived from (R,R)-1,2-diaminocyclohexaneElectronic supplementary information (ESI) available: different views of compounds 6, 6a and 6b. See http://www.rsc.org/suppdata/ob/b3/b306963j/","Organic & Biomolecular Chemistry","2003","1","22","4058","","10.1039/b306963j","","x-ray","0.71073","MoKα","","0.0778","0.0402","","","0.1085","0.1408","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151522","8.385","0.001","11.271","0.001","16.603","0.002","90","","90","","90","","1569.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O5 S -","- C15 H19 N O5 S -","- C60 H76 N4 O20 S4 -","4","1","","Heaney, Frances; Fenlon, Julie; O'Mahony, Colm; McArdle, Patrick; Cunningham, Desmond","Alpha-oximono-esters as precursors to heterocycles‒generation of oxazinone N-oxides and cycloaddition to alkene dipolarophiles.","Organic & biomolecular chemistry","2003","1","23","4302","4316","10.1039/b307077h","","","0.71069","MoKα","","0.0283","0.0256","","","0.0667","0.068","","","","","","0.859","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151540","19.214","0.006","16.341","0.004","7.1838","0.0009","90","","90","","90","","2255.5","0.9","145","","145","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2S,3S,6R,8S)-4-Benzyl-2-O-(tert-butyldimethylsilyl)-3-methyl-11-oxa-4-aza- tricyclo-[6.2.1.01.6] undec-9-en-5-one","","- C23 H33 N O3 Si -","- C23 H33 N O3 Si -","- C92 H132 N4 O12 Si4 -","4","1","","Tromp, Reynier A.; Brussee, Johannes; van der Gen, Arne","Stereochemistry of intramolecular Diels?Alder furan (IMDAF) reactions of furyl-substituted chiral ethanolamides","Organic & Biomolecular Chemistry","2003","1","20","3592","","10.1039/b307275d","","","0.71073","MoKalpha","","0.084","0.042","","0.05","0.045","","","","1.684","2.039","2.039","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151544","9.939","0.007","12.907","0.005","20.16","0.003","90","","90","","90","","2586","2","293","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O9 S -","- C19 H24 N2 O9 S -","- C76 H96 N8 O36 S4 -","4","1","","Marietta Tóth; Katalin E. Kövér; Attila Bényei; László Somsák","C-Glycosylmethylene carbenes: synthesis of anhydro-aldose tosylhydrazones as precursors; generation and a new synthetic route to exo-glycals","Org. Biomol. Chem.","2003","1","22","4039","4046","10.1039/b307378e","","x-ray","0.71073","MoKα","","","0.0533","","","","0.1828","","","","","","1.029","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151561","7.9103","0.0004","9.9556","0.0005","15.8702","0.0009","90","","90","","90","","1249.81","0.11","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O3 -","- C13 H20 N2 O3 -","- C52 H80 N8 O12 -","4","1","","Jean-Paul R. Hermet; David W. Porter; Michael J. Dearden; Justin R. Harrison; Tobias Koplin; Peter O'Brien; Jérôme Parmene; Vladimir Tyurin; Adrian C. Whitwood; John Gilday; Neil M. Smith","Synthesis of sparteine-like chiral diamines and evaluation in the enantioselective lithiation‒substitution of N-(tert-butoxycarbonyl)pyrrolidine","Org. Biomol. Chem.","2003","1","22","3977","3988","10.1039/b308410h","","","0.71073","MoKα","","0.0362","0.0333","","","0.0877","0.0898","","","","","","1.061","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151565","8.5195","0.0011","10.0386","0.0013","19.37","0.002","90","","90","","90","","1656.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Dang, Hai-Shan; Roberts, Brian P.; Tocher, Derek A.","Thiol-catalysed radical-chain redox rearrangement reactions of benzylidene acetals derived from terpenoid diols","Organic & Biomolecular Chemistry","2003","1","22","4073","","10.1039/b309060b","","","0.71073","MoKα","","0.0682","0.0535","","","0.1178","0.1251","","","","","","1.07","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151566","10.6743","0.0007","16.4346","0.001","16.6813","0.001","90","","90","","90","","2926.4","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 O4 -","- C34 H42 O4 -","- C136 H168 O16 -","4","1","","Dang, Hai-Shan; Roberts, Brian P.; Tocher, Derek A.","Thiol-catalysed radical-chain redox rearrangement reactions of benzylidene acetals derived from terpenoid diols","Organic & Biomolecular Chemistry","2003","1","22","4073","","10.1039/b309060b","","","0.71073","MoKα","","0.0507","0.0426","","","0.1077","0.1136","","","","","","1.015","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151567","8.804","0.003","10.274","0.003","18.428","0.005","90","","90","","90","","1666.9","0.9","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Dang, Hai-Shan; Roberts, Brian P.; Tocher, Derek A.","Thiol-catalysed radical-chain redox rearrangement reactions of benzylidene acetals derived from terpenoid diols","Organic & Biomolecular Chemistry","2003","1","22","4073","","10.1039/b309060b","","","0.71073","MoKα","","0.0817","0.0579","","","0.122","0.1329","","","","","","0.987","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151568","9.9643","0.0004","11.133","0.0004","17.3159","0.0007","90","","90","","90","","1920.9","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O6 S -","- C17 H25 N O6 S -","- C68 H100 N4 O24 S4 -","4","1","","Foresti, Elisabetta; Palmieri, Gianni; Petrini, Marino; Profeta, Roberto","Highly diastereoselective addition of nitromethane anion to chiral alpha-amidoalkylphenyl sulfones. Synthesis of optically active alpha-amino acid derivatives.","Organic & biomolecular chemistry","2003","1","23","4275","4281","10.1039/b309211a","","","0.71073","MoKα","","0.0376","0.0358","","","0.0931","0.0951","","","","","","1.086","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151578","7.511","0.0002","12.0412","0.0005","19.598","0.0007","90","","90","","90","","1772.47","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H31 Br2 N3 -","- C13 H31 Br2 N3 -","- C52 H124 Br8 N12 -","4","1","","Argouarch, Gilles; Stones, Graham; Gibson, Colin L.; Kennedy, Alan R.; Sherrington, David C.","Bifurcated, modular syntheses of chiral annulet triazacyclononanes","Organic & Biomolecular Chemistry","2003","1","24","4408","","10.1039/b310492c","","","0.71073","MoKα","","0.0526","0.0349","","","0.0639","0.0685","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151584","7.979","0.001","9.742","0.001","14.053","0.002","90","","90","","90","","1092.4","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl F5 O -","- C10 H10 Cl F5 O -","- C40 H40 Cl4 F20 O4 -","4","1","","DiMartino, Gianluca; Hursthouse, Michael B.; Light, Mark E.; Percy, Jonathan M.; Spencer, Neil S.; Tolley, Malcolm","Syntheses of selectively fluorinated cyclodecenones: the first deployment of the neutral oxy-Cope rearrangement in organofluorine chemistry","Organic & Biomolecular Chemistry","2003","1","24","4423","","10.1039/b311261f","","","0.71073","MoKα","","0.0334","0.0283","","","0.0598","0.0621","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151593","9.21","0.03","12.66","0.04","14.89","0.05","90","","90","","90","","1736","10","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl F N -","- C19 H23 Cl F N -","- C76 H92 Cl4 F4 N4 -","4","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.129","0.0475","","","0.0793","0.1007","","","","","","0.961","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151598","7.2507","0.0011","12.939","0.002","15.788","0.002","90","","90","","90","","1481.2","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O2 -","- C15 H20 Cl N O2 -","- C60 H80 Cl4 N4 O8 -","4","1","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.0651","0.0453","","","0.0962","0.1151","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151600","18.064","0.001","13.961","0.001","9.143","0.001","90","","90","","90","","2305.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O4 -","- C25 H31 N O4 -","- C100 H124 N4 O16 -","4","1","","Urones, Julio G.; Garrido, Narciso M.; Díez, David; El Hammoumi, Mohamed M.; Dominguez, Sara H.; Antonio Casaseca, J.; Davies, Stephen G.; Smith, Andrew D.","Asymmetric synthesis of the stereoisomers of 2-amino-5-carboxymethyl-cyclopentane-1-carboxylate.","Organic & biomolecular chemistry","2004","2","3","364","372","10.1039/b313386a","","","1.5418","CuKα","","0.0483","0.0457","","0.1272","0.121","","","","1.047","1.041","1.041","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151607","6.4668","0.0005","10.4584","0.0004","19.4553","0.0012","90","","90","","90","","1315.81","0.14","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C44 H76 N4 O20 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3S)-3'-fluoroisoleucine.","Organic & biomolecular chemistry","2004","2","5","797","802","10.1039/b316219b","","x-ray","0.71073","MoKα","","0.0441","0.0397","","","0.1023","0.1052","","","","","","1.102","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151616","3.7369","0.0002","6.2036","0.0003","28.8526","0.0018","90","","90","","90","","668.87","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H3 F2 N O -","- C8 H3 F2 N O -","- C32 H12 F8 N4 O4 -","4","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.0405","0.0327","","","0.0677","0.0722","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151657","10.9351","0.0014","11.7459","0.0015","24.978","0.003","90","","90","","90","","3208.2","0.7","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(S)-2-methyl-N-((S)-1,1,1-trifluoro-4-oxo-4-phenylbutan-2-yl) propane-2-sulfinamide","(S)-2-methyl-N-((S)-1,1,1-trifluoro-4-oxo-4-phenylbutan-2-yl) propane-2-sulfinamide","","- C14 H18 F3 N O2 S -","- C14 H18 F3 N O2 S -","- C112 H144 F24 N8 O16 S8 -","8","2","","Mei, Haibo; Xiong, Yiwen; Han, Jianlin; Pan, Yi","A facile process for the asymmetric synthesis of β-trifluoromethylated β-amino ketones via addition of ketone enolates to sulfinylimine.","Organic & biomolecular chemistry","2011","9","5","1402","1406","10.1039/C0OB00586J","","","0.71073","MoKα","","0.0657","0.0348","","","0.0557","0.0592","","","","","","0.98","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151683","9.7745","0.0006","9.7915","0.0004","20.5118","0.0009","90","","90","","90","","1963.12","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N3 O8 -","- C20 H17 N3 O8 -","- C80 H68 N12 O32 -","4","1","","Sen, Subhabrata; Potti, Venkata R.; Surakanti, Ramu; Murthy, Y. L. N.; Pallepogu, Raghavaiah","Enantioselective synthesis of spirooxoindoles via chiral auxiliary (bicyclic lactam) controlled SNAr reactions.","Organic & biomolecular chemistry","2011","9","2","358","360","10.1039/C0OB00661K","","","0.71073","MoKα","","0.0805","0.0406","","","0.0662","0.0733","","","","","","0.833","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151684","7.471","0.0001","8.305","0.0001","21.194","0.0004","90","","90","","90","","1315.02","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C64 H48 N8 O12 -","4","1","","Sunderland, Peter T.; Dhami, Archana; Mahon, Mary F.; Jones, Louise A.; Tully, Sophie R.; Lloyd, Matthew D.; Thompson, Andrew S.; Javaid, Hashim; Martin, Niall M. B.; Threadgill, Michael D.","Synthesis of 4-alkyl-, 4-aryl- and 4-arylamino-5-aminoisoquinolin-1-ones and identification of a new PARP-2 selective inhibitor.","Organic & biomolecular chemistry","2011","9","3","881","891","10.1039/C0OB00665C","","","0.71073","MoKα","","0.0725","0.0426","","","0.0893","0.1022","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151688","9.6263","0.0013","14.1765","0.0014","16.473","0.002","90","","90","","90","","2248","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 F3 N2 O2 S -","- C24 H25 F3 N2 O2 S -","- C96 H100 F12 N8 O8 S4 -","4","1","","Grellepois, Fabienne; Nonnenmacher, Jean; Lachaud, Fabien; Portella, Charles","Enantiomerically pure 2-aryl(alkyl)-2-trifluoromethylaziridines: synthesis and ring opening with selected O- and N-nucleophiles.","Organic & biomolecular chemistry","2011","9","4","1160","1168","10.1039/C0OB00690D","","x-ray","0.71073","MoKα","","0.0566","0.042","","","0.0978","0.1031","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151691","10.7328","0.001","12.0282","0.001","19.7768","0.0018","90","","90","","90","","2553.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 N O9 -","- C25 H33 N O9 -","- C100 H132 N4 O36 -","4","1","","Kurhade, Suresh E.; Mengawade, Tanaji; Bhuniya, Debnath; Palle, Venkata P.; Reddy, D. Srinivasa","Synthesis of novel sugar-lactam conjugates using the Aubé reaction.","Organic & biomolecular chemistry","2011","9","3","744","747","10.1039/C0OB00719F","","","0.71073","MoKα","","0.1458","0.0571","","","0.0866","0.1055","","","","","","0.956","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151709","6.8992","0.0008","6.9979","0.0008","24.978","0.003","90","","90","","90","","1205.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Br N O4 -","- C12 H12 Br N O4 -","- C48 H48 Br4 N4 O16 -","4","1","","Hong, Bor-Cherng; Kotame, Prakash; Liao, Ju-Hsiou","Enantioselective organocatalytic domino Michael-acetalization-Henry reactions of 2-hydroxynitrostyrene and aldehyde for the synthesis of tetrahydro-6H-benzo[c]chromenones.","Organic & biomolecular chemistry","2011","9","2","382","386","10.1039/C0OB00834F","","","0.71073","MoKα","","0.0304","0.025","","","0.0492","0.05","","","","","","0.984","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151719","10.27","0.003","11.202","0.003","18.897","0.006","90","","90","","90","","2174","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Liu, Tang-Lin; Xue, Zhi-Yong; Tao, Hai-Yan; Wang, Chun-Jiang","Catalytic asymmetric 1,3-dipolar cycloaddition of N-unprotected 2-oxoindolin-3-ylidene derivatives and azomethine ylides for the construction of spirooxindole-pyrrolidines.","Organic & biomolecular chemistry","2011","9","6","1980","1986","10.1039/C0OB00943A","","","0.71073","MoKα","","0.036","0.0309","","","0.0785","0.0822","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151725","8.3831","0.001","11.7677","0.0015","15.012","0.0019","90","","90","","90","","1480.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Si -","- C20 H16 Si -","- C80 H64 Si4 -","4","1","","Tanikawa, Tomoharu; Saito, Masaichi; Guo, Jing Dong; Nagase, Shigeru","Synthesis, structures and optical properties of trisilasumanene and its related compounds.","Organic & biomolecular chemistry","2011","9","6","1731","1735","10.1039/C0OB00987C","","","0.71073","MoKα","","0.0406","0.0381","","","0.0978","0.1005","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151727","9.5861","0.001","14.757","0.0015","19.402","0.002","90","","90","","90","","2744.6","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Br2 N2 O4 -","- C30 H30 Br2 N2 O4 -","- C120 H120 Br8 N8 O16 -","4","1","","Franklin, Andrew I.; Bensa, David; Adams, Harry; Coldham, Iain","Transannular dipolar cycloaddition as an approach towards the synthesis of the core ring system of the sarain alkaloids.","Organic & biomolecular chemistry","2011","9","6","1901","1907","10.1039/C0OB01019G","","","0.71073","MoKα","","0.1119","0.0652","","","0.1519","0.1826","","","","","","1.142","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151742","5.4822","0.0004","8.8469","0.0006","24.9538","0.0017","90","","90","","90","","1210.27","0.15","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Nesbitt, Caroline L.; McErlean, Christopher S. P.","Total synthesis of C19 lipid diols containing a 2,5-disubstituted-3-oxygenated tetrahydrofuran.","Organic & biomolecular chemistry","2011","9","7","2198","2208","10.1039/c0ob00754d","","","0.71073","MoKα","","0.0334","0.0321","","","0.0895","0.0908","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151756","5.3188","0.0018","12.594","0.004","29.209","0.01","90","","90","","90","","1956.6","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O4 S -","- C20 H25 N O4 S -","- C80 H100 N4 O16 S4 -","4","1","","Kissane, Marie; Murphy, Maureen; O'Brien, Elisabeth; Chopra, Jay; Murphy, Linda; Collins, Stuart G.; Lawrence, Simon E.; Maguire, Anita R.","Addition-substitution reactions of 2-thio-3-chloroacrylamides with carbon, nitrogen, oxygen, sulfur and selenium nucleophiles.","Organic & biomolecular chemistry","2011","9","7","2452","2472","10.1039/c0ob00805b","","","0.71073","MoKα","","0.1722","0.0701","","","0.1259","0.1613","","","","","","0.992","","","","has coordinates,has disorder","180303","2020-10-21","18:00:00",""
"7151759","5.6366","0.0002","12.6433","0.0007","16.9777","0.0007","90","","90","","90","","1209.92","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Ramachary, Dhevalapally B.; Prasad, M. Shiva; Madhavachary, R.","A general approach to high-yielding asymmetric synthesis of chiral 3-alkyl-4-nitromethylchromans via cascade Barbas-Michael and acetalization reactions.","Organic & biomolecular chemistry","2011","9","8","2715","2721","10.1039/c0ob00861c","","","1.54184","CuKα","","0.094","0.092","","","0.2279","0.2354","","","","","","1.118","","","","has coordinates","180303","2020-10-21","18:00:00",""
"7151774","6.7923","0.0007","11.6086","0.0014","20.037","0.003","90","","90","","90","","1579.9","0.3","297","","297","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.1093","0.0439","","","0.0788","0.0946","","","","","","0.785","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151775","6.9797","0.0007","11.9507","0.0009","17.3512","0.0012","90","","90","","90","","1447.3","0.2","297","","297","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Schanderl, Martin; Jeong, Won Boo; Schwarz, Michael; Reiser, Oliver","Stereoselective rearrangement of guaianolides to tricyclic δ-valerolactones.","Organic & biomolecular chemistry","2011","9","7","2543","2547","10.1039/c0ob00919a","","","0.71073","MoKα","","0.0515","0.0415","","","0.1041","0.1087","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151782","9.102","0.002","18.341","0.005","32.012","0.008","90","","90","","90","","5344","2","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 N3 O4.5 -","- C31 H32 N3 O4.5 -","- C248 H256 N24 O36 -","8","2","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.2333","0.1037","","","0.2595","0.3356","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151785","9.737","0.008","10.015","0.006","26.408","0.011","90","","90","","90","","2575","3","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C120 H120 N8 O16 -","4","1","","Amat, Mercedes; Arróniz, Carlos; Molins, Elies; Escolano, Carmen; Bosch, Joan","Highly stereoselective double (R)-phenylglycinol-induced cyclocondensation reactions of symmetric aryl bis(oxoacids).","Organic & biomolecular chemistry","2011","9","7","2175","2184","10.1039/c0ob00970a","","x-ray","0.71073","MoKα","","0.0894","0.0639","","","0.1898","0.2124","","","","","","1.124","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151801","10.2181","0.0007","19.3153","0.0014","19.5555","0.0014","90","","90","","90","","3859.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H62 N2 O -","- C42 H62 N2 O -","- C168 H248 N8 O4 -","4","1","","Giffin, Nick A.; Makramalla, Miller; Hendsbee, Arthur D.; Robertson, Katherine N.; Sherren, Cody; Pye, Cory C.; Masuda, Jason D.; Clyburne, Jason A. C.","Anhydrous TEMPO-H: reactions of a good hydrogen atom donor with low-valent carbon centres.","Organic & biomolecular chemistry","2011","9","10","3672","3680","10.1039/c0ob00999g","","","0.71073","MoKα","","0.0675","0.0438","","","0.0945","0.1026","","","","","","0.956","","","","has coordinates,has disorder","180304","2020-10-21","18:00:00",""
"7151809","5.1057","0.0005","10.2051","0.0012","40.956","0.004","90","","90","","90","","2134","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl-2-(2-(tert-butoxycarbonylamino)-3-methylbutanamido)-3-phenylpropanoate","","","- C20 H30 N2 O5 -","- C20 H30 N2 O5 -","- C80 H120 N8 O20 -","4","1","","Maity, Sibaprasad; Kumar, Pankaj; Haldar, Debasish","An amyloid-like fibril-forming supramolecular cross-β-structure of a model peptide: a crystallographic insight.","Organic & biomolecular chemistry","2011","9","10","3787","3791","10.1039/c0ob01033b","","","0.71073","MoKα","","0.0694","0.0453","","","0.1091","0.1315","","","","","","0.938","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151814","11.5224","0.0012","11.6757","0.0014","12.5624","0.0015","90","","90","","90","","1690","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H25 I O2 Si -","- C13 H25 I O2 Si -","- C52 H100 I4 O8 Si4 -","4","1","","Qi, Xian-Liang; Zhang, Jun-Tao; Feng, Jian-Peng; Cao, Xiao-Ping","Total synthesis and absolute configuration of malyngamide W.","Organic & biomolecular chemistry","2011","9","10","3817","3824","10.1039/c0ob01118e","","","0.71073","MoKα","","0.0368","0.0295","","","0.0669","0.0702","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151822","6.0368","0.0012","13.398","0.003","29.789","0.006","90","","90","","90","","2409.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C112 H116 N4 O12 -","4","1","","Wu, Yan-Chao; Li, Hui-Jing; Liu, Li; Liu, Zhe; Wang, Dong; Chen, Yong-Jun","Cascade reaction of β,γ-unsaturated α-ketoesters with phenols in trityl chloride/TFA system. Highly selective synthesis of 4-aryl-2H-chromenes and their applications.","Organic & biomolecular chemistry","2011","9","8","2868","2877","10.1039/c0ob01143f","","","0.71073","MoKα","","0.0698","0.0436","","","0.1095","0.1307","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151834","9.3443","0.0007","11.4954","0.0008","16.1665","0.0011","90","","90","","90","","1736.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Zhou, Bing; Li, Xiaomei; Tang, Huanyu; Miao, Zehong; Feng, Huijin; Li, Yuanchao","Total synthesis of novel D-ring-modified triptolide analogues: structure-cytotoxic activity relationship studies on the D-ring of triptolide.","Organic & biomolecular chemistry","2011","9","9","3176","3179","10.1039/c0ob01239d","","","0.71073","MoKα","","0.041","0.039","","","0.1035","0.1055","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151838","10.5465","0.0015","13.646","0.002","14.694","0.002","90","","90","","90","","2114.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O3 -","- C23 H22 Br N O3 -","- C92 H88 Br4 N4 O12 -","4","1","","Yang, Yuan-Liang; Pei, Cheng-Kui; Shi, Min","Multifunctional chiral phosphines-catalyzed highly diastereoselective and enantioselective substitution of Morita-Baylis-Hillman adducts with oxazolones.","Organic & biomolecular chemistry","2011","9","9","3349","3358","10.1039/c1ob00017a","","","0.71073","MoKα","","0.0961","0.0406","","","0.0835","0.0952","","","","","","0.903","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151840","9.261","0.0003","16.4271","0.0005","19.8316","0.0004","90","","90","","90","","3017.01","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N5 O5 -","- C33 H33 N5 O5 -","- C132 H132 N20 O20 -","4","1","","Yang, Li; Yang, Fei; Lan, Jingbo; Gao, Ge; You, Jingsong; Su, Xiaoyu","Rational design of BINOL-based diimidazolyl ligands: homochiral channel-like mono-component organic frameworks by hydrogen-bond-directed self-assembly.","Organic & biomolecular chemistry","2011","9","8","2618","2621","10.1039/c1ob00026h","","x-ray","0.71073","MoKα","","0.0694","0.0624","","","0.1703","0.1774","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151860","5.9224","0.0002","11.4859","0.0004","17.6998","0.0005","90","","90","","90","","1204.01","0.07","123","","123","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Macabeo, Allan Patrick G.; Kreuzer, Andreas; Reiser, Oliver","Stereoselective routes to aryl substituted γ-butyrolactones and their application towards the synthesis of highly oxidised furanocembranoids.","Organic & biomolecular chemistry","2011","9","9","3146","3150","10.1039/c1ob05113j","","x-ray","1.54184","CuKα","","0.0296","0.0292","","","0.0746","0.0749","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151864","8.6252","0.0003","8.6773","0.0003","43.7286","0.0016","90","","90","","90","","3272.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br Fe O7 -","- C14 H13 Br Fe O7 -","- C112 H104 Br8 Fe8 O56 -","8","2","","Griffen, Julia A.; Le Coz, Amélie M; Kociok-Köhn, Gabriele; Khan, Monika Ali; Stewart, Alan J. W.; Lewis, Simon E.","Expanding the chiral pool: oxidation of meta-bromobenzoic acid by R. eutrophus B9 allows access to new reaction manifolds.","Organic & biomolecular chemistry","2011","9","10","3920","3928","10.1039/c1ob05131h","","","0.71073","MoKα","","0.0677","0.0437","","","0.0788","0.086","","","","","","1.063","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151870","8.39707","0.00008","9.14896","0.00009","35.0858","0.0003","90","","90","","90","","2695.45","0.04","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 Cl N2 O2 Ru S -","- C31 H33 Cl N2 O2 Ru S -","- C124 H132 Cl4 N8 O8 Ru4 S4 -","4","1","","Soni, Rina; Cheung, Fung Kei; Clarkson, Guy C.; Martins, Jose E. D.; Graham, Mark A.; Wills, Martin","The importance of the N-H bond in Ru/TsDPEN complexes for asymmetric transfer hydrogenation of ketones and imines.","Organic & biomolecular chemistry","2011","9","9","3290","3294","10.1039/c1ob05208j","","","1.54184","CuKα","","0.0299","0.0292","","","0.0742","0.0745","","","","","","1.096","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151875","6.2211","0.0003","14.25","0.0007","19.7004","0.001","90","","90","","90","","1746.45","0.15","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","14 December 2010","","","- C22 H22 N2 O -","- C22 H22 N2 O -","- C88 H88 N8 O4 -","4","1","","Nagaraj, Muthupandi; Boominathan, Muthusamy; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai","Synthesis of novel N-hydroxy heterocycles via intramolecular reductive cyclization of diketoximes by NaBH3CN","Organic & Biomolecular Chemistry","2011","9","12","4642","","10.1039/c1ob05232b","","","1.54178","CuKα","","0.0301","0.0274","","","0.0655","0.0662","","","","","","1.066","","","","has coordinates","180304","2020-10-21","18:00:00",""
"7151891","13.323","0.002","15.987","0.003","17.448","0.003","90","","90","","90","","3716.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 Br N O7 -","- C40 H36 Br N O7 -","- C160 H144 Br4 N4 O28 -","4","1","","Xue, Zhi-Yong; Fang, Xin; Wang, Chun-Jiang","Asymmetric construction of 3-vinylidene-pyrrolidine derivatives containing allene moiety via Ag(I)/TF-BiphamPhos-catalyzed 1,3-dipolar cycloaddition of azomethine ylides with diethyl 2-(3,3-diphenylpropa-1,2-dienylidene) malonate.","Organic & biomolecular chemistry","2011","9","10","3622","3624","10.1039/c1ob05291h","","","0.71073","MoKα","","0.0684","0.0509","","","0.1344","0.1463","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151893","10.3869","0.0006","13.1736","0.0007","15.8519","0.0008","90","","90","","90","","2169.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br O3 -","- C25 H31 Br O3 -","- C100 H124 Br4 O12 -","4","1","","Stastna, Eva; Rath, Nigam P.; Covey, Douglas F.","The use of symmetry in enantioselective synthesis: Four pairs of chrysene enantiomers prepared from 19-nortestosterone","Organic & Biomolecular Chemistry","2011","9","12","4685","","10.1039/c1ob05385j","","","0.71073","MoKα","","0.0236","0.0205","","","0.0488","0.05","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151901","9.6172","0.0017","14.543","0.003","27.025","0.005","90","","90","","90","","3779.8","1.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19.5 H28 O8.5 -","- C19.5 H28 O8.5 -","- C156 H224 O68 -","8","2","","Zhang, Mei; Zhang, Yangming; Lu, Wei; Nan, Fa-Jun","Synthesis and revision of stereochemistry of rubescensin S","Organic & Biomolecular Chemistry","2011","9","12","4436","","10.1039/c1ob05611e","","","0.71073","MoKα","","0.0933","0.0628","","","0.166","0.1948","","","","","","1.209","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151904","10.578","0.004","11.206","0.004","23.306","0.008","90","","90","","90","","2762.6","1.7","296","2","296","2","","","101.325","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","Boc-Aib-Ala-Leu-CH2OH","Boc-Aib-Ala-Leu-CH2OH","","- C19 H36 Cl3 N3 O5 -","- C19 H36 Cl3 N3 O5 -","- C76 H144 Cl12 N12 O20 -","4","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.","A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.","Organic & biomolecular chemistry","2011","9","11","4182","4187","10.1039/c0ob01226b","","x-ray","0.71073","MoKα","","0.2755","0.0673","","","0.1608","0.2113","","","","","","0.715","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151905","9.704","0.003","13.077","0.003","25.661","0.007","90","","90","","90","","3256.4","1.5","296","2","200","","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Dipeptide alcohol","Dipeptide alcohol","","- C13 H26 N2 O4 -","- C13 H26 N2 O4 -","- C104 H208 N16 O32 -","8","2","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Benke, Sushil N.; Mali, Sachitanand M.; Gopi, Hosahudya N.","A facile synthesis and crystallographic analysis of N-protected β-amino alcohols and short peptaibols.","Organic & biomolecular chemistry","2011","9","11","4182","4187","10.1039/c0ob01226b","","x-ray","0.71073","MoKα","","0.1186","0.0653","","","0.0964","0.1069","","","","","","1.592","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151911","7.272","0.004","11.909","0.006","17.041","0.008","90","","90","","90","","1475.8","1.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Cl N O -","- C20 H14 Cl N O -","- C80 H56 Cl4 N4 O4 -","4","1","","Wang, Ren; Lu, Shen-Ci; Zhang, Yi-Ming; Shi, Zong-Jun; Zhang, Wei","One-pot synthesis of benzo[f]quinolin-3-ones and benzo[a]phenanthridein-5-ones by the photoanuulation of 6-chloropyridin-2-ones and 3-chloroisoquinolin-1-ones to phenylacetylene.","Organic & biomolecular chemistry","2011","9","16","5802","5808","10.1039/c1ob05082f","","","0.71073","MoKα","","0.1164","0.0616","","","0.1496","0.1772","","","","","","0.974","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151913","6.7538","0.0009","10.5562","0.0015","17.047","0.002","90","","90","","90","","1215.4","0.3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 B F4 N3 -","- C11 H12 B F4 N3 -","- C44 H48 B4 F16 N12 -","4","1","","Campbell, Craig D.; Collett, Christopher J.; Thomson, Jennifer E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Organic base effects in NHC promoted O- to C-carboxyl transfer; chemoselectivity profiles, mechanistic studies and domino catalysis.","Organic & biomolecular chemistry","2011","9","11","4205","4218","10.1039/c1ob05160a","","","0.71073","MoKα","","0.0459","0.0439","","","0.1195","0.1218","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151927","4.8025","0.0002","11.5872","0.0008","33.05","0.002","90","","90","","90","","1839.15","0.19","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(7-Methoxy-5H-pyrrolo[1,2-a]quinoxalin-4-ylidene)-N'-quinolin- 4-ylmethylene-hydrazine hydrate","","- C22 H19 N5 O2 -","- C22 H19 N5 O2 -","- C88 H76 N20 O8 -","4","1","","Gemma, Sandra; Colombo, Laura; Forloni, Gianluigi; Savini, Luisa; Fracasso, Claudia; Caccia, Silvio; Salmona, Mario; Brindisi, Margherita; Joshi, Bhupendra P.; Tripaldi, Pierangela; Giorgi, Gianluca; Taglialatela-Scafati, Orazio; Novellino, Ettore; Fiorini, Isabella; Campiani, Giuseppe; Butini, Stefania","Pyrroloquinoxaline hydrazones as fluorescent probes for amyloid fibrils.","Organic & biomolecular chemistry","2011","9","14","5137","5148","10.1039/c1ob05288h","","","0.71073","MoKα","","0.1048","0.0573","","","0.0966","0.1106","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151936","10.396","0.002","10.88","0.002","19.224","0.004","90","","90","","90","","2174.4","0.7","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","2","","Iqbal, Mudassar; Black, Richard J. G.; Winn, Joby; Reeder, Andrew T.; Blake, Alexander J.; Clarke, Paul A.","Studies on transannulation reactions across a nine-membered ring: the synthesis of natural product-like structures.","Organic & biomolecular chemistry","2011","9","14","5062","5078","10.1039/c1ob05448a","","","0.71073","MoKα","","0.0466","0.0398","","","0.0871","0.0896","","","","","","0.99","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151949","9.0917","0.0008","9.8531","0.0009","29.228","0.002","90","","90","","90","","2618.3","0.4","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 N5 O8 -","- C21 H39 N5 O8 -","- C84 H156 N20 O32 -","4","1","","Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Concurrent display of both α- and β-turns in a model peptide.","Organic & biomolecular chemistry","2011","9","16","5762","5765","10.1039/c1ob05553d","","","0.71073","MoKα","","0.0855","0.0641","","","0.1324","0.1411","","","","","","1.116","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151951","9.056","0.005","9.842","0.004","29.153","0.017","90","","90","","90","","2598","2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H39 N5 O8 -","- C21 H39 N5 O8 -","- C84 H156 N20 O32 -","4","1","","Srinivas, Deekonda; Vijayadas, Kuruppanthara N.; Gonnade, Rajesh; Phalgune, Usha D.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Concurrent display of both α- and β-turns in a model peptide.","Organic & biomolecular chemistry","2011","9","16","5762","5765","10.1039/c1ob05553d","","","0.71073","MoKα","","0.1032","0.0711","","","0.1383","0.1512","","","","","","1.083","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151953","9.0593","0.0003","15.3579","0.0005","19.9706","0.0006","90","","90","","90","","2778.55","0.15","100","","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6R)-2,6-anhydro-4-O-[tert-butyl(dimethyl)silyl]-3-deoxy -1-(methoxyamino)-3-(methoxycarbonyl)-5-O-(methoxymethyl) -5-C-methyl-6-pentyl-L-reythro-hex-2-enose","","- C23 H43 N O8 Si -","- C23 H43 N O8 Si -","- C92 H172 N4 O32 Si4 -","4","1","","Kobayashi, Kenichi; Okamoto, Iwao; Morita, Nobuyoshi; Kiyotani, Tamiko; Tamura, Osamu","Synthesis of the proposed structure of phaeosphaeride A.","Organic & biomolecular chemistry","2011","9","16","5825","5832","10.1039/c1ob05612c","","","1.54187","CuKα","","0.0713","0.0569","","","0.1155","0.1255","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151960","8.5748","0.0006","14.9184","0.001","23.0172","0.0015","90","","90","","90","","2944.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N5 O11 S -","- C26 H33 N5 O11 S -","- C104 H132 N20 O44 S4 -","4","1","","Shen, Fengjuan; Li, Xiaoliu; Zhang, Xiaoyuan; Yin, Qingmei; Qin, Zhanbin; Chen, Hua; Zhang, Jinchao; Ma, Zhaipu","Microwave-assisted synthesis of dinucleoside analogues containing a thiazolidin-4-one linkage via one-pot tandem Staudinger/aza-Wittig/cyclization.","Organic & biomolecular chemistry","2011","9","16","5766","5772","10.1039/c1ob05675a","","","0.71073","MoKα","","0.1144","0.0591","","","0.1498","0.1773","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151965","9.903","0.0013","10.8311","0.0014","19.231","0.002","90","","90","","90","","2062.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N3 O4 -","- C24 H23 N3 O4 -","- C96 H92 N12 O16 -","4","1","","Coote, Susannah C.; Quenum, Seidjolo; Procter, David J.","Exploiting Sm(ii) and Sm(iii) in SmI(2)-initiated reaction cascades: application in a tag removal-cyclisation approach to spirooxindole scaffolds.","Organic & biomolecular chemistry","2011","9","14","5104","5108","10.1039/c1ob05710c","","","0.71073","MoKα","","0.0554","0.0445","","","0.0786","0.0817","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151966","11.3829","0.0013","12.3833","0.0015","13.4311","0.0016","90","","90","","90","","1893.2","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 N2 O6 -","- C20 H28 N2 O6 -","- C80 H112 N8 O24 -","4","1","","Chen, Jia; Chen, Jian-Jun; Yao, Xiaojun; Gao, Kun","Kopsihainanines A and B, two unusual alkaloids from Kopsia hainanensis.","Organic & biomolecular chemistry","2011","9","15","5334","5336","10.1039/c1ob05724c","","","0.71073","MoKα","","0.0786","0.0447","","","0.0795","0.0898","","","","","","1.101","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151967","9.84534","0.00019","13.7667","0.0003","35.643","0.0007","90","","90","","90","","4830.98","0.17","203.1","","203","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H69 N5 O6 Si4 -","- C37 H69 N5 O6 Si4 -","- C148 H276 N20 O24 Si16 -","4","1","","Meng, Xiangtai; Moriuchi, Toshiyuki; Tohnai, Norimitsu; Miyata, Mikiji; Kawahata, Masatoshi; Yamaguchi, Kentaro; Hirao, Toshikazu","Synthesis and assembling properties of bioorganometallic cyclometalated Au(iii) alkynyls bearing guanosine moieties.","Organic & biomolecular chemistry","2011","9","16","5633","5636","10.1039/c1ob05842h","","","1.54187","CuKα","","","0.0718","","","","0.1962","","","","","","0.913","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151980","7.4163","0.0003","14.0432","0.0006","25.9274","0.001","90","","90","","90","","2700.3","0.19","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 N O2 S -","- C32 H33 N O2 S -","- C128 H132 N4 O8 S4 -","4","1","","Ni, Cheng-Yan; Kan, Sha-Sha; Liu, Quan-Zhong; Kang, Tai-Ran","Diastereoselective and enantioselective capture of chiral zinc enolate using nitroolefins: a rapid access to chiral γ-nitro carbonyl compounds.","Organic & biomolecular chemistry","2011","9","18","6211","6214","10.1039/c1ob05903c","","","0.71073","MoKα","","0.089","0.0517","","","0.0886","0.1012","","","","","","1.012","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151984","11.2799","0.0006","15.1788","0.0009","21.4815","0.0013","90","","90","","90","","3678","0.4","140","1","140","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 41","","","- C33 H42 Cl2 O17 -","- C33 H42 Cl2 O17 -","- C132 H168 Cl8 O68 -","4","1","","Nepogodiev, Sergey A.; Fais, Margherita; Hughes, David L.; Field, Robert A.","Synthesis of apiose-containing oligosaccharide fragments of the plant cell wall: fragments of rhamnogalacturonan-II side chains A and B, and apiogalacturonan.","Organic & biomolecular chemistry","2011","9","19","6670","6684","10.1039/c1ob05587a","","","0.71073","Mo-Kα","","0.0486","0.0372","","","0.0894","0.0925","","","","","","1.048","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151993","10.153","0.003","10.273","0.003","16.191","0.005","90","","90","","90","","1688.7","0.9","200","2","200","2","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Boc-dgI-OEt","(4S,5S,E)-ethyl 4-(tert-butoxycarbonylamino)-5-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.0455","0.0378","","","0.0912","0.0961","","","","","","1.023","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7151995","9.978","0.004","10.083","0.003","16.904","0.006","90","","90","","90","","1700.7","1","200","2","200","2","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Boc-dgV-OEt","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-5-methylhex-2-enoate","","- C14 H25 N O4 -","- C14 H25 N O4 -","- C56 H100 N4 O16 -","4","1","","Mali, Sachitanand M.; Bandyopadhyay, Anupam; Jadhav, Sandip V.; Kumar, Mothukuri Ganesh; Gopi, Hosahudya N.","Synthesis of α, β-unsaturated γ-amino esters with unprecedented high (E)-stereoselectivity and their conformational analysis in peptides.","Organic & biomolecular chemistry","2011","9","19","6566","6574","10.1039/c1ob05732d","","x-ray","0.71073","MoKα","","0.1149","0.0581","","","0.1589","0.195","","","","","","1.003","","","","has coordinates","180305","2020-10-21","18:00:00",""
"7152016","10.4445","0.001","14.899","0.002","16.596","0.002","90","","90","","90","","2582.5","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 N O6 -","- C26 H37 N O6 -","- C104 H148 N4 O24 -","4","1","","Fichtler, Robert; Neudörfl, Jörg-M; Jacobi von Wangelin, Axel","Practical three-component synthesis of crowded arenes with donor-acceptor substitution.","Organic & biomolecular chemistry","2011","9","20","7224","7236","10.1039/c1ob05984j","","","0.71073","MoKα","","0.1486","0.0554","","","0.1058","0.1299","","","","","","0.909","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152033","9.7941","0.0014","10.3009","0.0015","17.223","0.002","90","","90","","90","","1737.6","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-cyclo(N-cyclohexyloxy-2-((beta-pyridyl) methylene)glycyl- prolyl","(S)-cyclo[N-cyclohexyloxy-2-[(β-pyridyl) methylene]glycyl-prolyl","","- C19 H23 N3 O3 -","- C19 H23 N3 O3 -","- C76 H92 N12 O12 -","4","1","","Liu, Shouxin; Mu, Yun; Han, Jianrong; Zhen, Xiaoli; Yang, Yihua; Tian, Xia; Whiting, Andrew","Stereoselective synthesis and rearrangement-fragmentation of arylidene N-alkoxydiketopiperazines.","Organic & biomolecular chemistry","2011","9","21","7476","7481","10.1039/c1ob05722g","","","0.71073","MoKα","","0.0458","0.0321","","","0.0741","0.0829","","","","","","1.039","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152048","5.935","0.0001","14.0588","0.0003","17.2947","0.0005","90","","90","","90","","1443.05","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-phenyl-5,6-dihydro-1H-benzo[f]chromen -3(2H)-one","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","1","","Chen, Jung-Hsuan; Chang, Chihliang; Chang, Hui-Ju; Chen, Kwunmin","Synthesis of 2,3,5,6-tetrahydro-1-alkyl/aryl-1H-benzo[f]chromen-3-ol derivatives from β-tetralones and α,β-unsaturated aldehydes.","Organic & biomolecular chemistry","2011","9","21","7510","7516","10.1039/c1ob05966a","","","0.71073","MoKα","","0.0745","0.0446","","","0.1014","0.1232","","","","","","1.155","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152055","8.1131","0.0017","10.109","0.002","25.357","0.006","90","","90","","90","","2079.7","0.8","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 N2 O5 -","- C20 H32 N2 O5 -","- C80 H128 N8 O20 -","4","1","","Aitken, David J.; Drouin, Ludovic; Goretta, Sarah; Guillot, Régis; Ollivier, Jean; Spiga, Marco","Stereoselective preparation of β,γ-methano-GABA derivatives.","Organic & biomolecular chemistry","2011","9","21","7517","7524","10.1039/c1ob06095c","","x-ray","0.71073","MoKα","","0.0758","0.0532","","","0.1137","0.1231","","","","","","1.088","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152058","10.5256","0.0002","12.1392","0.0002","20.3601","0.0003","90","","90","","90","","2601.46","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br N2 O8 -","- C25 H31 Br N2 O8 -","- C100 H124 Br4 N8 O32 -","4","1","","Ramachary, Dhevalapally B.; Reddy, Y. Vijayendar; Banerjee, Atoshi; Banerjee, Sharmistha","Design, synthesis and biological evaluation of optically pure functionalized spiro[5,5]undecane-1,5,9-triones as HIV-1 inhibitors.","Organic & biomolecular chemistry","2011","9","21","7282","7286","10.1039/c1ob06133j","","","1.54184","CuKα","","0.0296","0.0295","","","0.079","0.0791","","","","","","1.111","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152060","7.1487","0.0008","13.2022","0.0014","28.639","0.003","90","","90","","90","","2702.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O8 -","- C28 H38 O8 -","- C112 H152 O32 -","4","1","","Wang, Jian-Rong; Liu, Hai-Li; Kurtán, Tibor; Mándi, Attila; Antus, Sándor; Li, Jia; Zhang, Hai-Yan; Guo, Yue-Wei","Protolimonoids and norlimonoids from the stem bark of Toona ciliata var. pubescens.","Organic & biomolecular chemistry","2011","9","22","7685","7696","10.1039/c1ob06150j","","","0.71073","MoKα","","0.0785","0.0415","","","0.0847","0.0941","","","","","","0.857","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152061","10.208","0.0008","15.3825","0.0012","17.7371","0.0014","90","","90","","90","","2785.2","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 O4 -","- C31 H50 O4 -","- C124 H200 O16 -","4","1","","Wang, Jian-Rong; Liu, Hai-Li; Kurtán, Tibor; Mándi, Attila; Antus, Sándor; Li, Jia; Zhang, Hai-Yan; Guo, Yue-Wei","Protolimonoids and norlimonoids from the stem bark of Toona ciliata var. pubescens.","Organic & biomolecular chemistry","2011","9","22","7685","7696","10.1039/c1ob06150j","","","0.71073","MoKα","","0.0679","0.0574","","","0.1384","0.145","","","","","","1.015","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152076","7.6826","0.0002","12.2144","0.0004","15.2964","0.0004","90","","90","","90","","1435.39","0.07","120","2","120","2","","","","","","","Pedro Cintas","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Martínez, R Fernando; Avalos, Martín; Babiano, Reyes; Cintas, Pedro; Jiménez, José L; Light, Mark E.; Palacios, Juan C.","Tautomerism in Schiff bases. The cases of 2-hydroxy-1-naphthaldehyde and 1-hydroxy-2-naphthaldehyde investigated in solution and the solid state.","Organic & biomolecular chemistry","2011","9","24","8268","8275","10.1039/c1ob06073b","","","0.71073","MoKα","","0.0366","0.0333","","","0.08","0.0819","","","","","","1.189","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7152086","4.9152","0.0002","9.6665","0.0004","50.7258","0.0018","90","","90","","90","","2410.12","0.16","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H45 N O3 -","- C25 H45 N O3 -","- C100 H180 N4 O12 -","4","1","","Rives, Arnaud; Baudoin-Dehoux, Cécile; Saffon, Nathalie; Andrieu-Abadie, Nathalie; Génisson, Yves","Asymmetric synthesis and cytotoxic activity of isomeric phytosphingosine derivatives.","Organic & biomolecular chemistry","2011","9","23","8163","8170","10.1039/c1ob06195j","","","0.71073","MoKα","","0.0977","0.0509","","","0.0903","0.1049","","","","","","1.027","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152089","10.019","0.002","16.372","0.003","49.573","0.009","90","","90","","90","","8132","3","150","1","150","1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 Cl4 N4 O10 -","- C42 H36 Cl4 N4 O10 -","- C336 H288 Cl32 N32 O80 -","8","2","","Lemouchi, Cyprien; Simonov, Sergey; Zorina, Leokadiya; Gautier, Christelle; Hudhomme, Piétrick; Batail, Patrick","Amino acid derivatives of perylenediimide and their N-HO peptide bond dipoles-templated solid state assembly into stacks.","Organic & biomolecular chemistry","2011","9","23","8096","8101","10.1039/c1ob06213a","","","0.71073","MoKα","","0.1297","0.0642","","","0.1241","0.1387","","","","","","1.036","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152090","6.3355","0.0006","7.439","0.0008","26.291","0.002","90","","90","","90","","1239.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2-[(R)-1-hydroxy-3-phenylpropyl]piperidine","","- C14 H21 N O -","- C14 H21 N O -","- C56 H84 N4 O4 -","4","1","","Gálvez, José A; Díaz de Villegas, María D; Badorrey, Ramón; López-Ram-de-Víu, Pilar","Switch in regioselectivity of epoxide ring-opening by changing the organometallic reagent.","Organic & biomolecular chemistry","2011","9","23","8155","8162","10.1039/c1ob06216f","","","0.71073","MoKα","","0.0944","0.052","","","0.0762","0.0836","","","","","","0.894","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152094","5.919","0.003","14.531","0.005","25.735","0.011","90","","90","","90","","2213.4","1.7","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 O6 S2 -","- C24 H22 O6 S2 -","- C96 H88 O24 S8 -","4","1","","Companyó, Xavier; Valero, Guillem; Ceban, Victor; Calvet, Teresa; Font-Bardía, Mercé; Moyano, Albert; Rios, Ramon","Enantioselective organocatalytic asymmetric allylic alkylation. Bis(phenylsulfonyl)methane addition to MBH carbonates.","Organic & biomolecular chemistry","2011","9","23","7986","7989","10.1039/c1ob06308a","","","0.71073","MoKα","","0.0965","0.0779","","","0.1815","0.2035","","","","","","1.098","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152095","7.1296","0.0002","9.0495","0.0004","27.5442","0.001","90","","90","","90","","1777.13","0.11","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O9 -","- C16 H20 O9 -","- C64 H80 O36 -","4","1","","Leaver, David J.; Dawson, Raymond M.; White, Jonathan M.; Polyzos, Anastasios; Hughes, Andrew B.","Synthesis of 1,2,3-triazole linked galactopyranosides and evaluation of cholera toxin inhibition.","Organic & biomolecular chemistry","2011","9","24","8465","8474","10.1039/c1ob06317k","","","1.5418","CuKα","","0.0365","0.036","","","0.0956","0.0961","","","","","","1.058","","","","has coordinates,has disorder","180306","2020-10-21","18:00:00",""
"7152099","5.4376","0.0007","9.7637","0.0012","22.815","0.003","90","","90","","90","","1211.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 I O -","- C13 H13 I O -","- C52 H52 I4 O4 -","4","1","","Duce, Sara; Jorge, María; Alonso, Inés; Ruano, José Luis García; Cid, M Belén","An organocatalytic approach to enantiomerically enriched α-arylcyclohexenones and cyclohexanones.","Organic & biomolecular chemistry","2011","9","24","8253","8260","10.1039/c1ob06356a","","","0.71073","MoKα","","0.0393","0.0291","","","0.0586","0.064","","","","","","1.089","","","","has coordinates","180306","2020-10-21","18:00:00",""
"7152114","6.2773","0.0003","9.4898","0.0006","10.1036","0.0006","90","","90","","90","","601.87","0.06","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0292","0.0264","","0.0332","0.0301","0.0301","","","","","","1.0409","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152115","6.7114","0.0003","10.2593","0.0004","17.4506","0.0007","90","","90","","90","","1201.55","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","2","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0287","0.0253","","0.0355","0.0305","0.0305","","","","","","1.0396","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152117","5.6736","0.0002","9.5781","0.0004","10.7239","0.0004","90","","90","","90","","582.76","0.04","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0276","0.0245","","0.0348","0.0291","0.0291","","","","","","1.1434","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152118","6.4573","0.0003","9.4912","0.0005","10.0281","0.0005","90","","90","","90","","614.6","0.05","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0268","0.0242","","0.0314","0.0283","0.0283","","","","","","1.0708","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152119","6.1219","0.0003","8.5353","0.0006","11.8539","0.0008","90","","90","","90","","619.39","0.07","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C24 H32 O16 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0309","0.0255","","0.0388","0.0295","0.0295","","","","","","0.9937","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152124","6.3628","0.0002","9.2072","0.0003","10.1628","0.0003","90","","90","","90","","595.37","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0347","0.0295","","0.0384","0.0341","0.0341","","","","","","1.1757","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152125","5.7591","0.0003","6.2197","0.0003","16.2984","0.0008","90","","90","","90","","583.81","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0373","0.0271","","0.0413","0.0308","0.0308","","","","","","1.1361","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152127","6.271","0.0002","7.6812","0.0002","12.1999","0.0003","90","","90","","90","","587.65","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0281","0.0267","","0.0303","0.0298","0.0298","","","","","","1.1424","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152128","6.3457","0.0002","7.8536","0.0004","12.1288","0.0005","90","","90","","90","","604.46","0.04","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0317","0.0281","","0.0351","0.0295","0.0295","","","","","","1.1513","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152129","7.2178","0.001","8.7675","0.0013","9.5","0.002","90","","90","","90","","601.18","0.18","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0377","0.0295","","0.0475","0.0334","0.0334","","","","","","1.0651","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152131","6.7058","0.0005","8.1556","0.0005","10.7504","0.0007","90","","90","","90","","587.94","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 F O3 -","- C6 H7 F O3 -","- C24 H28 F4 O12 -","4","1","","Karban, Jindřich; Císařová, Ivana; Strašák, Tomáš; Šťastná, Lucie Červenková; Sýkora, Jan","Skeletal rearrangements resulting from reactions of 1,6:2,3- and 1,6:3,4-dianhydro-β-D-hexopyranoses with diethylaminosulphur trifluoride.","Organic & biomolecular chemistry","2012","10","2","394","403","10.1039/c1ob06336g","","","0.71073","MoKα","","0.0327","0.0261","","0.0399","0.0308","0.0308","","","","","","1.0307","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152145","6.1634","0.0006","11.2748","0.001","19.9532","0.0016","90","","90","","90","","1386.6","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N3 O2 -","- C18 H13 N3 O2 -","- C72 H52 N12 O8 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0759","0.0446","","","0.0848","0.0939","","","","","","0.99","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152150","6.3395","0.0002","7.8493","0.0003","31.3577","0.0012","90","","90","","90","","1560.38","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O S -","- C18 H19 N3 O S -","- C72 H76 N12 O4 S4 -","4","1","","Iaroshenko, Viktor O.; Mkrtchyan, Satenik; Gevorgyan, Ashot; Miliutina, Mariia; Villinger, Alexander; Volochnyuk, Dmytro; Sosnovskikh, Vyacheslav Ya; Langer, Peter","2,3-unsubstituted chromones and their enaminone precursors as versatile reagents for the synthesis of fused pyridines.","Organic & biomolecular chemistry","2012","10","4","890","894","10.1039/c1ob06494k","","","0.71073","MoKα","","0.0498","0.0364","","","0.0772","0.0824","","","","","","1.031","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152152","10.021","0.007","12.749","0.006","10.714","0.006","90","","90","","90","","1368.8","1.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Companyó, Xavier; Valero, Guillem; Pineda, Oriol; Calvet, Teresa; Font-Bardía, Mercè; Moyano, Albert; Rios, Ramon","Enantioselective organocatalytic oxyamination of unprotected 3-substituted oxindoles.","Organic & biomolecular chemistry","2012","10","2","431","439","10.1039/c1ob06503c","","","0.71073","MoKα","","0.0792","0.0571","","","0.1442","0.1577","","","","","","1.074","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152183","9.31","0.004","12.038","0.003","27.103","0.007","90","","90","","90","","3037.5","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 B O3 P2 -","- C32 H37 B O3 P2 -","- C128 H148 B4 O12 P8 -","4","1","","Boyd, Derek R.; Bell, Mark; Dunne, Katherine S.; Kelly, Brian; Stevenson, Paul J.; Malone, John F.; Allen, Christopher C. R.","Chemoenzymatic synthesis of a mixed phosphine-phosphine oxide catalyst and its application to asymmetric allylation of aldehydes and hydrogenation of alkenes.","Organic & biomolecular chemistry","2012","10","7","1388","1395","10.1039/c1ob06599h","","","0.71073","MoKα","","0.1624","0.0699","","","0.1765","0.2326","","","","","","0.976","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152188","5.812","0.0005","6.7788","0.0006","25.807","0.002","90","","90","","90","","1016.75","0.15","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br N O2 -","- C10 H12 Br N O2 -","- C40 H48 Br4 N4 O8 -","4","1","","Clerici, Paolo; Wennemers, Helma","Mono thiomalonates as thioester enolate equivalents‒enantioselective 1,4-addition reactions to nitroolefins under mild conditions.","Organic & biomolecular chemistry","2012","10","1","110","113","10.1039/c1ob06638b","","","0.71073","MoKα","","0.0412","0.0221","","0.0381","0.021","0.0205","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152190","8.581","0.0018","9.4511","0.0019","18.265","0.004","90","","90","","90","","1481.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br N2 O -","- C16 H13 Br N2 O -","- C64 H52 Br4 N8 O4 -","4","1","","Huang, Long; Wei, Yin; Shi, Min","Asymmetric substitutions of O-Boc-protected Morita-Baylis-Hillman adducts with pyrrole and indole derivatives.","Organic & biomolecular chemistry","2012","10","7","1396","1405","10.1039/c1ob06671d","","","0.71073","MoKα","","0.0576","0.0407","","","0.1105","0.1216","","","","","","1.033","","","","has coordinates","180307","2020-10-21","18:00:00",""
"7152194","9.681","0.003","12.864","0.004","14.899","0.005","90","","90","","90","","1855.5","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C80 H100 N12 O12 -","4","1","","Znabet, Anass; Blanken, Sara; Janssen, Elwin; de Kanter, Frans J. J.; Helliwell, Madeleine; Turner, Nicholas J.; Ruijter, Eelco; Orru, Romano V. A.","Stereoselective synthesis of N-aryl proline amides by biotransformation-Ugi-Smiles sequence.","Organic & biomolecular chemistry","2012","10","5","941","944","10.1039/c1ob06699d","","","0.71073","MoKα","","0.0711","0.0592","","","0.0941","0.097","","","","","","1.278","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152201","10.02411","0.00005","10.34453","0.00006","20.23764","0.00011","90","","90","","90","","2098.54","0.02","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 F3 N2 O5 S -","- C22 H17 F3 N2 O5 S -","- C88 H68 F12 N8 O20 S4 -","4","1","","Levy, Jean-Noël; Latham, Christopher M.; Roisin, Loïc; Kandziora, Nadine; Di Fruscia, Paolo; White, Andrew J. P.; Woodward, Simon; Fuchter, Matthew J.","The design and synthesis of novel IBiox N-heterocyclic carbene ligands derived from substituted amino-indanols.","Organic & biomolecular chemistry","2012","10","3","512","515","10.1039/c1ob06780j","","","1.54184","CuKα","","0.0283","0.027","","","0.07","0.0709","","","","","","1.049","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152212","6.43","0.001","11.207","0.002","21.269","0.003","90","","90","","90","","1532.7","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","hexadecahydropyrazino[1,2-a:4,5-a']diindole-6,13-dione","","- C18 H26 N2 O2 -","- C18 H26 N2 O2 -","- C72 H104 N8 O8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.1287","0.0779","","","0.1326","0.1481","","","","","","1.107","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152213","6.4416","0.0006","10.8045","0.0005","24.627","0.002","90","","90","","90","","1714","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dodecahydro-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-6,13(1H,7H)-dione","","- C18 H24 N2 O2 S2 -","- C18 H24 N2 O2 S2 -","- C72 H96 N8 O8 S8 -","4","1","","Ruff, Bettina M.; Zhong, Sabilla; Nieger, Martin; Bräse, Stefan","Thiolation of symmetrical and unsymmetrical diketopiperazines.","Organic & biomolecular chemistry","2012","10","5","935","940","10.1039/c2ob06663g","","","0.71073","MoKα","","0.0454","0.0353","","","0.0712","0.0745","","","","","","1.07","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152246","13.8494","0.0006","17.4243","0.0007","20.0324","0.0009","90","","90","","90","","4834.1","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","rifampicin methanol trisolvate dihydrate","","","- C45 H72 N4 O17 -","- C45 H72 N4 O17 -","- C180 H288 N16 O68 -","4","1","","Pyta, Krystian; Przybylski, Piotr; Wicher, Barbara; Gdaniec, Maria; Stefańska, Joanna","Intramolecular proton transfer impact on antibacterial properties of ansamycin antibiotic rifampicin and its new amino analogues.","Organic & biomolecular chemistry","2012","10","12","2385","2388","10.1039/c2ob00008c","","","0.71073","MoKα","","0.0476","0.04","","","0.0948","0.0996","","","","","","1.046","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152252","11.312","0.004","19.868","0.006","28.099","0.009","90","","90","","90","","6315","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-Ac6c-Val-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-(1-aminocyclohexan-1-oyl)-valyl- leucyl-phenylalanyl-valyl-methyl ester","","- C58 H90 N8 O11 -","- C58 H90 N8 O11 -","- C232 H360 N32 O44 -","4","1","","Chandrappa, Siddappa; Aravinda, Subrayashastry; Raghothama, Srinivasarao; Sonti, Rajesh; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Helix and hairpin nucleation in short peptides using centrally positioned conformationally constrained dipeptide segments.","Organic & biomolecular chemistry","2012","10","14","2815","2823","10.1039/c2ob06817f","","","0.71073","MoKα","","0.1279","0.0767","","","0.1619","0.1855","","","","","","1.075","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152277","8.0156","0.0002","8.4956","0.0004","19.4087","0.001","90","","90","","90","","1321.68","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.0825","0.0693","","","0.1803","0.194","","","","","","1.153","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152278","8.3229","0.0004","11.3609","0.0005","11.8761","0.0003","90","","90","","90","","1122.95","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 -","- C13 H18 O2 -","- C52 H72 O8 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.0442","0.0375","","","0.0911","0.0948","","","","","","1.071","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152279","7.2735","0.0003","9.0784","0.0002","21.1524","0.0008","90","","90","","90","","1396.73","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Schäfer, Christian; Miesch, Michel; Miesch, Laurence","Intramolecular reductive ketone-alkynoate coupling reaction promoted by (η(2)-propene)titanium.","Organic & biomolecular chemistry","2012","10","16","3253","3257","10.1039/c2ob07049a","","","0.71073","MoKα","","0.053","0.0457","","","0.1216","0.1291","","","","","","1.068","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152286","6.64749","0.00014","13.2825","0.0003","33.3205","0.0007","90","","90","","90","","2942.04","0.11","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Br2 N2 O9 -","- C29 H26 Br2 N2 O9 -","- C116 H104 Br8 N8 O36 -","4","1","","Komatsu, Yoshiyuki; Watanabe, Riki; Ikishima, Hideaki; Nakano, Keiji; Ichikawa, Yoshiyasu; Kotsuki, Hiyoshizo","Aminohydroxyacetone synthons: versatile intermediates for the organocatalytic asymmetric aldol reaction.","Organic & biomolecular chemistry","2012","10","15","2993","3001","10.1039/c2ob07107j","","","1.54187","CuKα","","","0.0592","","","","0.0723","","","","","","5.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152289","13.4805","0.0004","20.3239","0.0006","24.982","0.0007","90","","90","","90","","6844.5","0.3","203","","203","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C105 H152 F18 N8 O43 Pd4 S6 Sm2 -","- C105 H144 F18 N8 O43 Pd4 S6 Sm2 -","- C210 H288 F36 N16 O86 Pd8 S12 Sm4 -","2","0.5","","Zhang, Guoqi","A heterotrimetallic Pd-Sm-Pd complex for asymmetric Friedel-Crafts alkylations of pyrroles with nitroalkenes.","Organic & biomolecular chemistry","2012","10","13","2534","2536","10.1039/c2ob25074h","","","0.71073","MoKα","","0.0973","0.0553","","0.0739","0.0549","0.0549","","","","","","1.0093","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152294","8.402","0.003","9.71","0.004","19.088","0.007","90","","90","","90","","1557.3","1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F2 N O2 -","- C18 H19 F2 N O2 -","- C72 H76 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0692","0.0512","","","0.0862","0.0919","","","","","","0.912","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152295","8.8405","0.0017","9.7476","0.0019","19.684","0.004","90","","90","","90","","1696.2","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 F2 N O2 -","- C19 H21 F2 N O2 -","- C76 H84 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0603","0.0497","","","0.0995","0.1055","","","","","","1.007","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152296","8.5802","0.0018","9.972","0.002","19.406","0.004","90","","90","","90","","1660.4","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F2 N O2 -","- C20 H21 F2 N O2 -","- C80 H84 F8 N4 O8 -","4","1","","Fornalczyk, Michal; Singh, Kuldip; Stuart, Alison M.","Enantioselective Reformatsky reaction of ethyl iododifluoroacetate with ketones.","Organic & biomolecular chemistry","2012","10","16","3332","3342","10.1039/c2ob25081k","","","0.71073","MoKα","","0.0477","0.0421","","","0.0954","0.0981","","","","","","1.034","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152299","7.298","0.0015","13.566","0.003","17.045","0.003","90","","90","","90","","1687.5","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O5 -","- C20 H18 O5 -","- C80 H72 O20 -","4","1","","Mijangos, Marco V.; González-Marrero, Joaquin; Miranda, Luis D.; Vincent-Ruz, Paulette; Lujan-Montelongo, Armando; Olivera-Díaz, Diana; Bautista, Elhiu; Ortega, Alfredo; de la Luz Campos-González, María; Gamez-Montaño, Rocio","Microwave-assisted C-3 selective oxidative radical alkylation of flavones.","Organic & biomolecular chemistry","2012","10","15","2946","2949","10.1039/c2ob25249j","","","0.71073","MoKα","","0.1069","0.051","","","0.0969","0.1156","","","","","","1","","","","has coordinates","180308","2020-10-21","18:00:00",""
"7152302","8.4697","0.0001","10.1103","0.0001","13.868","0.0001","90","","90","","90","","1187.53","0.02","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C40 H68 N4 O24 -","4","1","","Angelov, Plamen; Chau, Yui Kwan Sonia; Fryer, Paul J.; Moloney, Mark G.; Thompson, Amber L.; Trippier, Paul C.","Biomimetic synthesis, antibacterial activity and structure-activity properties of the pyroglutamate core of oxazolomycin.","Organic & biomolecular chemistry","2012","10","17","3472","3485","10.1039/c2ob00042c","","","1.5418","CuKα","","0.0226","0.0224","","0.0608","0.0607","0.0608","","","","","","0.9946","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152321","4.2571","0.0007","14.425","0.002","23.481","0.004","90","","90","","90","","1441.9","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","1","","Sun, Zhong-Xin; Cheng, Ying","N-Heterocyclic carbene-catalyzed cascade annulation reaction of o-vinylarylaldehydes with nitrosoarenes: one-step assembly of functionalized 2,3-benzoxazin-4-ones","Organic & Biomolecular Chemistry","2012","10","20","4088","","10.1039/c2ob25137j","","","0.71073","MoKα","","0.0521","0.044","","","0.1157","0.1209","","","","","","1.084","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152326","12.0764","0.0012","13.3216","0.0013","17.3013","0.0016","90","","90","","90","","2783.4","0.5","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CHN130FM","","","- C32 H31 Fe N O2 P2 -","- C32 H31 Fe N O2 P2 -","- C128 H124 Fe4 N4 O8 P8 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0381","0.0321","","","0.072","0.0738","","","","","","0.98","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152327","10.1623","0.0009","12.0052","0.001","14.5445","0.0013","90","","90","","90","","1774.4","0.3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CMN82ff","","","- C20 H22 Fe N O2 P -","- C20 H22 Fe N O2 P -","- C80 H88 Fe4 N4 O8 P4 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0242","0.0232","","","0.0568","0.057","","","","","","1.036","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152328","5.817","0.0003","12.8442","0.0007","23.6728","0.0013","90","","90","","90","","1768.71","0.16","180","2","180","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Fe N O2 P -","- C20 H22 Fe N O2 P -","- C80 H88 Fe4 N4 O8 P4 -","4","1","","Martins, Nelson; Mateus, Nuno; Vinci, Daniele; Saidi, Ourida; Brigas, Amadeu; Bacsa, John; Xiao, Jianliang","Another side of the oxazaphospholidine oxide chiral ortho-directing group","Organic & Biomolecular Chemistry","2012","10","20","4036","","10.1039/c2ob25187f","","","0.71073","MoKα","","0.0334","0.0301","","","0.0711","0.0726","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152334","7.5614","0.0005","11.1691","0.0007","20.0521","0.0013","90","","90","","90","","1693.48","0.19","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br N2 O4 S -","- C16 H15 Br N2 O4 S -","- C64 H60 Br4 N8 O16 S4 -","4","1","","Chen, Jie; Zhou, Ling; Yeung, Ying-Yeung","A highly enantioselective approach towards 2-substituted 3-bromopyrrolidines","Organic & Biomolecular Chemistry","2012","10","19","3808","","10.1039/c2ob25327e","","","0.71073","MoKα","","0.0484","0.0348","","","0.0726","0.0764","","","","","","0.954","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152335","7.4711","0.0007","11.1765","0.001","19.4619","0.0017","90","","90","","90","","1625.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br N2 O4 S2 -","- C14 H13 Br N2 O4 S2 -","- C56 H52 Br4 N8 O16 S8 -","4","1","","Chen, Jie; Zhou, Ling; Yeung, Ying-Yeung","A highly enantioselective approach towards 2-substituted 3-bromopyrrolidines","Organic & Biomolecular Chemistry","2012","10","19","3808","","10.1039/c2ob25327e","","","0.71073","MoKα","","0.0292","0.0269","","","0.0646","0.0656","","","","","","0.833","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152336","6.5782","0.0004","8.7302","0.0005","21.2398","0.0012","90","","90","","90","","1219.78","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O6 -","- C14 H15 N O6 -","- C56 H60 N4 O24 -","4","1","","Ahmad, Sajjad; Swift, Michael D.; Farrugia, Louis J.; Senn, Hans Martin; Sutherland, Andrew","Stereoselective synthesis of functionalised carbocyclic amides: construction of the syn-(4aS,10bS)-phenanthridone skeleton","Organic & Biomolecular Chemistry","2012","10","19","3937","","10.1039/c2ob25334h","","x-ray","0.71073","MoKα","","0.0372","0.0334","","","0.0839","0.0857","","","","","","1.083","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152337","9.5048","0.0003","18.9754","0.0006","19.2401","0.0007","90","","90","","90","","3470.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H20 N4 O6 S -","- C34 N O10 S -","- C136 N4 O40 S4 -","4","1","","Leermann, Timo; Broutin, Pierre-Emmanuel; Leroux, Frédéric R.; Colobert, Françoise","Construction of the biaryl-part of vancomycin aglycon via atropo-diastereoselective Suzuki‒Miyaura coupling","Organic & Biomolecular Chemistry","2012","10","20","4095","","10.1039/c2ob25373a","","","0.71073","MoKα","","0.0804","0.0714","","","0.1969","0.2074","","","","","","1.393","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152343","9.1092","0.0018","10.189","0.002","20.517","0.004","90","","90","","90","","1904.3","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O3 S -","- C21 H26 O3 S -","- C84 H104 O12 S4 -","4","1","","Gao, YuZhe; Wang, Xue; Sun, LiDong; Xie, LongGuan; Xu, XiaoHua","Zinc or indium-mediated Barbier-type allylation of aldehydes with 3-bromomethyl-5H-furan-2-one in aqueous media: an efficient synthesis method for α-methylene-γ-butyrolactone","Organic & Biomolecular Chemistry","2012","10","20","3991","","10.1039/c2ob25397f","","","0.71073","MoKα","","0.043","0.0352","","","0.0924","0.1176","","","","","","1.086","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152349","7.3012","0.0002","9.1671","0.0002","21.9003","0.0004","90","","90","","90","","1465.81","0.06","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N O3 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Tchabanenko, Kirill; Sloan, Colleen; Bunetel, Yves-Mael; Mullen, Philip","Diastereoselective 1,3-dipolar cycloaddition of pyrylium ylides with chiral enamides.","Organic & biomolecular chemistry","2012","10","21","4215","4219","10.1039/c2ob07007c","","","0.71073","MOKα","","0.0633","0.055","","","0.1589","0.1669","","","","","","1.247","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152351","11.241","0.005","13.09","0.005","19.226","0.005","90","0.005","90","0.005","90","0.005","2829","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","trans allyl azetidine","","","- C30 H37 N O2 S Si -","- C30 H37 N O2 S Si -","- C120 H148 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0408","0.0381","","","0.0941","0.0967","","","","","","0.935","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152352","10.1607","0.0007","13.0737","0.001","22.9043","0.0017","90","","90","","90","","3042.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","benzyl pyrrolidine","","","- C34 H39 N O2 S Si -","- C34 H39 N O2 S Si -","- C136 H156 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71073","MoKα","","0.0432","0.0389","","","0.0914","0.0944","","","","","","1.063","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152353","10.158","0.005","13.071","0.005","22.898","0.005","90","0.005","90","0.005","90","0.005","3040","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H39 N O2 S Si -","- C34 H39 N O2 S Si -","- C136 H156 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0744","0.0545","","","0.1093","0.1213","","","","","","1.01","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152354","9.969","0.005","10.025","0.005","29.109","0.005","90","0.005","90","0.005","90","0.005","2909","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","4-flurophenylpyrrolidine","","","- C33 H36 F N O2 S Si -","- C33 H36 F N O2 S Si -","- C132 H144 F4 N4 O8 S4 Si4 -","4","1","","Narhe, Bharat D.; Sriramurthy, Vardhineedi; Yadav, Veejendra K.","A smooth rearrangement of N-p-toluenesulfonyl 2-tert-butyldiphenylsilylmethyl-substituted azetidines into N-p-toluenesulfonyl 3-tert-butyldiphenylsilyl-substituted pyrrolidines.","Organic & biomolecular chemistry","2012","10","22","4390","4399","10.1039/c2ob07140a","","","0.71069","MoKα","","0.0607","0.0474","","","0.1039","0.1125","","","","","","1.015","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152359","6.9084","0.0019","14.098","0.004","14.21","0.004","90","","90","","90","","1384","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br N O4 -","- C14 H14 Br N O4 -","- C56 H56 Br4 N4 O16 -","4","1","","Li, Wenyi; Liu, Xiaodong; Mao, Zhifeng; Chen, Qiao; Wang, Rui","New approach to the preparation of bicyclo octane derivatives via the enantioselective cascade reaction catalyzed by chiral diamine-Ni(OAc)(2) complex.","Organic & biomolecular chemistry","2012","10","24","4767","4773","10.1039/c2ob25135c","","","0.71073","MoKα","","0.056","0.0368","","","0.0675","0.0727","","","","","","0.982","","","","has coordinates","180309","2020-10-21","18:00:00",""
"7152379","9.315","0.003","10.631","0.004","15.819","0.005","90","","90","","90","","1566.5","0.9","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br N2 O3 -","- C17 H13 Br N2 O3 -","- C68 H52 Br4 N8 O12 -","4","1","","Jia, Yang; Yang, Wen; Du, Da-Ming","Asymmetric Friedel-Crafts alkylation of indoles with 3-nitro-2H-chromenes catalyzed by diphenylamine-linked bis(oxazoline) and bis(thiazoline) Zn(II) complexes.","Organic & biomolecular chemistry","2012","10","24","4739","4746","10.1039/c2ob25360g","","","0.71073","MoKα","","0.0481","0.0291","","","0.0367","0.0377","","","","","","0.988","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7152382","7.4247","0.0007","9.3395","0.0009","16.7423","0.0015","90","","90","","90","","1160.96","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C40 H60 N4 O24 -","4","1","","Kamimura, Akio; Miyazaki, Koichiro; Suzuki, Shuzo; Ishikawa, Shingo; Uno, Hidemitsu","Total synthesis of ent-calystegine B4 via nitro-Michael/aldol reaction.","Organic & biomolecular chemistry","2012","10","22","4362","4366","10.1039/c2ob25386k","","","0.7107","MoKα","","0.0342","0.0327","","","0.0823","0.0833","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152390","5.5779","0.0005","10.4276","0.001","31.686","0.003","90","","90","","90","","1843","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O5 S -","- C18 H22 O5 S -","- C72 H88 O20 S4 -","4","1","","Pei, Cheng-Kui; Jiang, Yu; Shi, Min","Synthesis of optically active dihydropyrans from asymmetric [4 + 2] cycloaddition of β,γ-unsaturated α-ketoesters with allenic esters.","Organic & biomolecular chemistry","2012","10","22","4355","4361","10.1039/c2ob25475a","","","0.71073","MoKα","","0.0495","0.0447","","","0.1151","0.1188","","","","","","1.075","","","","has coordinates,has disorder","180309","2020-10-21","18:00:00",""
"7152400","5.3015","0.0002","12.8502","0.0005","25.7032","0.0009","90","","90","","90","","1751.04","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-fluorophenyl)-5-(4-methylbenzyl)-3-phenyl-1H-pyrazole","","- C23 H19 F N2 -","- C23 H19 F N2 -","- C92 H76 F4 N8 -","4","1","","Borkin, Dmitry A.; Puscau, Mirela; Carlson, Alena; Solan, Agnes; Wheeler, Kraig A.; Török, Béla; Dembinski, Roman","Synthesis of diversely 1,3,5-trisubstituted pyrazoles via 5-exo-dig cyclization.","Organic & biomolecular chemistry","2012","10","23","4505","4508","10.1039/c2ob25580d","","","1.54178","CuKα","","0.0398","0.0333","","","0.0767","0.0799","","","","","","1.041","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152401","7.5034","0.0002","12.2919","0.0004","13.0178","0.0004","90","","90","","90","","1200.65","0.06","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","SAW694 IC-1","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Warren, Sarah A.; Stokes, Stephen; Frampton, Christopher S.; White, Andrew J. P.; Spivey, Alan C.","Synthesis of anti and syn hydroxy-iso-evoninic acids.","Organic & biomolecular chemistry","2012","10","24","4685","4688","10.1039/c2ob25625h","","","1.54178","CuKα","","0.0338","0.0302","","","0.0734","0.076","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152402","5.97836","0.00004","12.6707","0.00007","15.76352","0.00009","90","","90","","90","","1194.09","0.012","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Warren, Sarah A.; Stokes, Stephen; Frampton, Christopher S.; White, Andrew J. P.; Spivey, Alan C.","Synthesis of anti and syn hydroxy-iso-evoninic acids.","Organic & biomolecular chemistry","2012","10","24","4685","4688","10.1039/c2ob25625h","","","1.54184","CuKα","","0.0264","0.0262","","","0.0723","0.0726","","","","","","1.049","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152405","10.0094","0.0011","12.121","0.001","12.9524","0.0012","90","","90","","90","","1571.4","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 O8 -","- C14 H24 O8 -","- C56 H96 O32 -","4","1","","Jaiswal, Rakesh; Dickman, Michael H.; Kuhnert, Nikolai","First diastereoselective synthesis of methyl caffeoyl- and feruloyl-muco-quinates.","Organic & biomolecular chemistry","2012","10","27","5266","5277","10.1039/c2ob25124h","","","0.71073","MoKα","","0.0552","0.0389","","","0.0923","0.0991","","","","","","1.078","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152408","6.6246","0.0001","16.0121","0.0002","16.5233","0.0002","90","","90","","90","","1752.69","0.04","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O4 -","- C20 H30 O4 -","- C80 H120 O16 -","4","1","","Zou, Juan; Pan, Lutai; Li, Qiji; Pu, Jianxin; Yao, Ping; Zhu, Min; Banas, Jeffrey A.; Zhang, Hongjie; Sun, Handong","Rubesanolides C-E: abietane diterpenoids isolated from Isodon rubescens and evaluation of their anti-biofilm activity.","Organic & biomolecular chemistry","2012","10","26","5039","5044","10.1039/c2ob25192b","","","1.54178","CuKα","","0.0339","0.0335","","","0.0948","0.0952","","","","","","1.086","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152412","5.7182","0.0003","12.0175","0.0007","30.1828","0.0017","90","","90","","90","","2074.1","0.2","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl2 N2 O2 -","- C20 H30 Cl2 N2 O2 -","- C80 H120 Cl8 N8 O8 -","4","1","","Ortiz, Adrian; Young, Ian S.; Sawyer, James R.; Hsiao, Yi; Singh, Amarjit; Sugiyama, Masano; Corbett, R. Michael; Chau, Melissa; Shi, Zhongping; Conlon, David A.","Synthetic approaches to a chiral 4-amino-3-hydroxy piperidine with pharmaceutical relevance.","Organic & biomolecular chemistry","2012","10","27","5253","5257","10.1039/c2ob25411e","","","1.54178","CuKα","","0.0402","0.0372","","","0.0966","0.0979","","","","","","1.101","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152425","5.771","0.0011","10.93","0.002","28.102","0.006","90","","90","","90","","1772.6","0.6","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Ramachary, Dhevalapally B.; Mondal, Rumpa; Madhavachary, R.","Direct catalytic asymmetric synthesis of highly functionalized (2-ethynylphenyl)alcohols via Barbas-List aldol reaction: scope and synthetic applications.","Organic & biomolecular chemistry","2012","10","26","5094","5101","10.1039/c2ob25563d","","","0.71073","MoKα","","0.0668","0.0556","","","0.1239","0.1295","","","","","","1.116","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152426","9.26806","0.00016","13.0043","0.0002","16.2697","0.0002","90","","90","","90","","1960.9","0.05","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Br N4 O3 -","- C22 H15 Br N4 O3 -","- C88 H60 Br4 N16 O12 -","4","1","","Wei, Wen-Tao; Chen, Chun-Xia; Lu, Rui-Jiong; Wang, Jin-Jia; Zhang, Xue-Jing; Yan, Ming","Enantioselective synthesis of 3,3'-dihydropyrryl-spirooxindoles via an organocatalytic three-component reaction.","Organic & biomolecular chemistry","2012","10","27","5245","5252","10.1039/c2ob25629k","","","1.5418","CuKα","","0.0312","0.0272","","","0.0694","0.0853","","","","","","1.125","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152431","9.4738","0.0006","17.4767","0.0012","26.9117","0.0017","90","","90","","90","","4455.8","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 Cl2 Fe2 N2 O4 -","- C40 H62 Cl2 Fe2 N2 O4 -","- C160 H248 Cl8 Fe8 N8 O16 -","4","1","","Muthupandi, Pandi; Sekar, Govindasamy","Synthesis of an unusual dinuclear chiral iron complex and its application in asymmetric hydrophosphorylation of aldehydes.","Organic & biomolecular chemistry","2012","10","28","5347","5352","10.1039/c2ob25810b","","","0.71073","MoKα","","0.0577","0.037","","","0.0855","0.0999","","","","","","1.033","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152437","13.574","0.006","17.699","0.008","21.533","0.009","90","","90","","90","","5173","4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Br2 O4 -","- C12 H10 Br2 O4 -","- C192 H160 Br32 O64 -","16","4","","Siva Swaroop, Pandrangi; Raut, Gajanan N.; Gonnade, Rajesh G.; Verma, Priyanka; Gokhale, Rajesh S.; Srinivasa Reddy, D.","Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues.","Organic & biomolecular chemistry","2012","10","28","5385","5394","10.1039/c2ob25831e","","","0.71073","MoKα","","0.0702","0.0352","","","0.0513","0.0589","","","","","","1.02","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152439","10.5103","0.0013","13.662","0.0016","25.537","0.003","90","","90","","90","","3666.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhou, Feng; Fu, Haoliang; Ong, Wei Qiang; Ye, Ruijuan; Yuan, Weixing; Lu, Yu-Jing; Huo, Yan-Ping; Zhang, Kun; Su, Haibin; Zeng, Huaqiang","Locking high energy 1D chain of dichloromethane molecules containing abnormally short ClCl contacts of 2.524 Å inside organic crystals.","Organic & biomolecular chemistry","2012","10","29","5525","5528","10.1039/c2ob25888a","","","0.71073","MoKα","","0.1167","0.0866","","","0.185","0.2012","","","","","","1.101","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152440","10.5003","0.0013","13.6695","0.0017","25.51","0.003","90","","90","","90","","3661.5","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H32 Cl2 N10 O8 -","- C40 H32 Cl2 N10 O8 -","- C160 H128 Cl8 N40 O32 -","4","1","","Zhou, Feng; Fu, Haoliang; Ong, Wei Qiang; Ye, Ruijuan; Yuan, Weixing; Lu, Yu-Jing; Huo, Yan-Ping; Zhang, Kun; Su, Haibin; Zeng, Huaqiang","Locking high energy 1D chain of dichloromethane molecules containing abnormally short ClCl contacts of 2.524 Å inside organic crystals.","Organic & biomolecular chemistry","2012","10","29","5525","5528","10.1039/c2ob25888a","","","0.71073","MoKα","","0.0764","0.0641","","","0.1579","0.1665","","","","","","1.067","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152446","8.2256","0.0014","11.0205","0.0018","18.212","0.003","90","","90","","90","","1650.9","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br F3 N O -","- C18 H13 Br F3 N O -","- C72 H52 Br4 F12 N4 O4 -","4","1","","Ye, Ke-Yin; Dai, Li-Xin; You, Shu-Li","Enantioselective synthesis of 2,5-dihydrobenzo[b]azepine derivatives via iridium-catalyzed asymmetric allylic amination with 2-allylanilines and ring-closing-metathesis reaction.","Organic & biomolecular chemistry","2012","10","30","5932","5939","10.1039/c2ob00036a","","","0.71073","MoKα","","0.0382","0.0302","","","0.0719","0.0751","","","","","","1.038","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152447","6.0553","0.0002","13.8095","0.0005","15.5347","0.0005","90","","90","","90","","1299.02","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Ramachary, Dhevalapally B.; Madhavachary, R.; Prasad, M. Shiva","Observation of neighboring ortho-hydroxyl group participation in organocatalytic asymmetric sequential Michael-lactonization reactions: synthesis of highly substituted chiral spirodihydrocoumarins.","Organic & biomolecular chemistry","2012","10","30","5825","5829","10.1039/c2ob07122c","","","1.54184","CuKα","","0.0539","0.0438","","","0.1094","0.1146","","","","","","1.075","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152448","9.2659","0.0004","14.2973","0.0005","29.1661","0.0011","90","","90","","90","","3863.8","0.3","213.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H62 N2 O6 -","- C43 H62 N2 O6 -","- C172 H248 N8 O24 -","4","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0862","","","","0.1872","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152449","9.3208","0.0004","14.1964","0.0006","29.1726","0.0013","90","","90","","90","","3860.2","0.3","213.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H62 N2 O5 -","- C43 H62 N2 O5 -","- C172 H248 N8 O20 -","4","1","","Sasaki, Toshiyuki; Shizuki, Norie; Hiraishi, Eri; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Construction of multi-component supramolecular architectures of bile acids and cinchona alkaloids through helical-pitch-synchronized crystallization.","Organic & biomolecular chemistry","2012","10","30","5985","5992","10.1039/c2ob25072a","","","1.54187","CuKα","","","0.0613","","","","0.1779","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152453","4.641","0.002","10.535","0.003","15.936","0.004","90","","90","","90","","779.2","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 F O3 -","- C7 H9 F O3 -","- C28 H36 F4 O12 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.; Kwit, Marcin; Gawronski, Jacek","Structure, stereochemistry and synthesis of enantiopure cyclohexenone cis-diol bacterial metabolites derived from phenols.","Organic & biomolecular chemistry","2012","10","30","6217","6229","10.1039/c2ob25079a","","","0.71073","MoKα","","0.0547","0.0448","","","0.1107","0.1151","","","","","","1.052","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152457","9.681","0.003","28.33","0.01","6.26","0.002","90","","90","","90","","1716.9","1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Hallett, David J.; Tanikkul, Nongluk; Thomas, Eric J.","Remote stereocontrol in reactions between 4- and 5-alkoxyalk-2-enylstannanes and 1-alkoxycarbonylimines and analogues: stereoselective approaches to novel α-amino acids.","Organic & biomolecular chemistry","2012","10","30","6130","6158","10.1039/c2ob25097g","","","1.5418","CuKα","","0.1436","0.0735","","","0.1465","0.1915","","","","","","1.201","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152461","9.326","0.0002","13.7383","0.0003","20.3169","0.0006","90","","90","","90","","2603.07","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H39 N O4 -","- C28 H39 N O4 -","- C112 H156 N4 O16 -","4","1","","Davies, Stephen G.; Foster, Emma M.; Frost, Aileen B.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","On the origins of diastereoselectivity in the conjugate additions of the antipodes of lithium N-benzyl-(N-α-methylbenzyl)amide to enantiopure cis- and trans-dioxolane containing α,β-unsaturated esters.","Organic & biomolecular chemistry","2012","10","30","6186","6200","10.1039/c2ob25099c","","","0.71073","MoKα","","0.0451","0.0364","","0.0984","0.089","0.0984","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152463","6.95676","0.00013","12.7545","0.0003","24.6435","0.0005","90","","90","","90","","2186.62","0.08","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 O5 S -","- C24 H21 N3 O5 S -","- C96 H84 N12 O20 S4 -","4","1","","Tsukano, Chihiro; Yokouchi, Shinsuke; Girard, Anne-Lise; Kuribayashi, Toshifumi; Sakamoto, Shota; Enomoto, Taro; Takemoto, Yoshiji","Platinum catalyzed 7-endo cyclization of internal alkynyl amides and its application to synthesis of the caprazamycin core.","Organic & biomolecular chemistry","2012","10","30","6074","6086","10.1039/c2ob25111f","","","1.54187","CuKα","","","0.0388","","","","0.0627","","","","","","1.829","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152478","9.3018","0.0003","16.8469","0.0005","25.9616","0.0008","90","","90","","90","","4068.4","0.2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C88 H81 Br2 Cu2 Fe2 N3 P4 -","- C88 H81 Br2 Cu2 Fe2 N3 P4 -","- C176 H162 Br4 Cu4 Fe4 N6 P8 -","2","0.5","","Ou, Jun; Wong, Wing-Tak; Chiu, Pauline","Desymmetrizing reductive aldol cyclizations of enethioate derivatives of 1,3-diones catalyzed by a chiral copper hydride.","Organic & biomolecular chemistry","2012","10","30","5971","5978","10.1039/c2ob25206f","","","0.71073","MoKα","","0.0811","0.0566","","","0.1375","0.1487","","","","","","1.072","","","","has coordinates,has disorder","180310","2020-10-21","18:00:00",""
"7152482","4.9211","0.0003","12.5759","0.0008","23.0138","0.0015","90","","90","","90","","1424.26","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.0815","0.0784","","","0.1707","0.1722","","","","","","1.784","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152484","4.9819","0.0005","6.5576","0.0006","28.039","0.003","90","","90","","90","","916.01","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H9 N3 O2 -","- C11 H9 N3 O2 -","- C44 H36 N12 O8 -","4","1","","Cao, Liming; Maciejewski, John P.; Elzner, Stephan; Amantini, David; Wipf, Peter","Synthesis of 1,2,4-triazines and the triazinoisoquinolinedione DEF ring system of noelaquinone.","Organic & biomolecular chemistry","2012","10","30","5811","5814","10.1039/c2ob25353d","","","1.54178","CuKα","","0.0462","0.0366","","","0.0897","0.0933","","","","","","1.058","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152497","8.8972","0.0002","12.2375","0.0003","12.7413","0.0003","90","","90","","90","","1387.27","0.06","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Gregg, Claire; Perkins, Michael V.","Total synthesis and structural elucidation of ent-micropyrone and (+)-ascosalipyrone.","Organic & biomolecular chemistry","2012","10","32","6547","6553","10.1039/c2ob25501d","","","0.7107","MoKα","","0.064","0.0451","","","0.1149","0.1196","","","","","","0.964","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152498","8.1642","0.0003","12.0184","0.0005","14.2772","0.0005","90","","90","","90","","1400.89","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Gregg, Claire; Perkins, Michael V.","Total synthesis and structural elucidation of ent-micropyrone and (+)-ascosalipyrone.","Organic & biomolecular chemistry","2012","10","32","6547","6553","10.1039/c2ob25501d","","","0.7107","MoKα","","0.0487","0.0374","","","0.0907","0.0935","","","","","","0.973","","","","has coordinates","180310","2020-10-21","18:00:00",""
"7152506","7.4473","0.0004","9.7852","0.0006","20.4386","0.0012","90","","90","","90","","1489.43","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diethylboronpicoline-benzaldehyde","","","- C17 H21 B N2 -","- C17 H21 B N2 -","- C68 H84 B4 N8 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0324","0.0288","","","0.0676","0.0696","","","","","","1.052","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152509","8.6575","0.0005","14.9677","0.0009","14.9962","0.0009","90","","90","","90","","1943.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","diethylboronpicoline-benzophenone","","","- C23 H26 B N O -","- C23 H26 B N O -","- C92 H104 B4 N4 O4 -","4","1","","Son, Jung-Ho; Hoefelmeyer, James D.","1,2-Nucleophilic addition of 2-(picolyl)organoboranes to nitrile, aldehyde, ketone, and amide.","Organic & biomolecular chemistry","2012","10","33","6656","6664","10.1039/c2ob25518a","","","0.71073","MoKα","","0.0289","0.0275","","","0.068","0.0691","","","","","","1.06","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152528","8.8707","0.0018","10.082","0.002","18.499","0.004","90","","90","","90","","1654.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Br N3 O2 -","- C15 H18 Br N3 O2 -","- C60 H72 Br4 N12 O8 -","4","1","","Zhao, Fei; Wang, Yang; Zhang, Wen-Xiong; Xi, Zhenfeng","Metal-free synthesis of cyclic di-oxoguanidines via one-pot sequential transformation of amines, carbodiimides and acyl dichlorides.","Organic & biomolecular chemistry","2012","10","31","6266","6270","10.1039/c2ob25799h","","","0.71073","MoKα","","0.1173","0.0398","","","0.0521","0.061","","","","","","0.735","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152547","5.7061","0.0005","17.048","0.0015","18.4614","0.0016","90","","90","","90","","1795.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Br N O -","- C22 H20 Br N O -","- C88 H80 Br4 N4 O4 -","4","1","","Liu, Xin-Yuan; Xiao, Ya-Ping; Siu, Fung-Ming; Ni, Li-Chen; Chen, Yong; Wang, Lin; Che, Chi-Ming","Highly regio-, diastereo- and enantioselective one-pot gold/chiral Brønsted acid-catalysed cascade synthesis of bioactive diversely substituted tetrahydroquinolines.","Organic & biomolecular chemistry","2012","10","35","7208","7219","10.1039/c2ob25753j","","","1.54178","CuKα","","0.0231","0.0228","","","0.0637","0.064","","","","","","1.069","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152552","14.316","0.003","15.96","0.004","16.397","0.004","90","","90","","90","","3746.4","1.5","571","2","571","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H52 O8 Si2 -","- C34 H52 O8 Si2 -","- C136 H208 O32 Si8 -","4","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","x-ray","0.71073","MoKα","","0.1459","0.0784","","","0.2038","0.2354","","","","","","1.3","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152553","14.2378","0.0013","16.4937","0.0016","19.1231","0.0019","90","","90","","90","","4490.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 N O7 Si2 -","- C41 H59 N O7 Si2 -","- C164 H236 N4 O28 Si8 -","4","1","","Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.","Organic & biomolecular chemistry","2012","10","34","6937","6944","10.1039/c2ob25803j","","x-ray","0.71073","MoKα","","0.2039","0.0582","","","0.1235","0.1856","","","","","","0.997","","","","has coordinates,has disorder","180311","2020-10-21","18:00:00",""
"7152558","10.0288","0.0013","15.96","0.002","16.609","0.002","90","","90","","90","","2658.4","0.6","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O3 -","- C32 H32 N2 O3 -","- C128 H128 N8 O12 -","4","1","","Barry, Sarah M.; Mueller-Bunz, Helge; Rutledge, Peter J.","Investigating the oxidation of alkenes by non-heme iron enzyme mimics.","Organic & biomolecular chemistry","2012","10","36","7372","7381","10.1039/c2ob25834j","","","0.71073","MoKα","","0.0297","0.0291","","","0.0733","0.074","","","","","","1.039","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152592","5.276","0.0012","14.278","0.003","17.698","0.004","90","","90","","90","","1333.2","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Br N O3 S -","- C11 H12 Br N O3 S -","- C44 H48 Br4 N4 O12 S4 -","4","1","","Yang, Wen; Du, Da-Ming","Squaramide-catalysed enantio- and diastereoselective sulfa-Michael addition of thioacetic acid to α,β-disubstituted nitroalkenes.","Organic & biomolecular chemistry","2012","10","34","6876","6884","10.1039/c2ob26068a","","","0.71073","MoKα","","0.0477","0.0316","","","0.0263","0.0278","","","","","","0.783","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152594","10.026","0.004","12.876","0.004","21.444","0.007","90","","90","","90","","2768.3","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F6 O6 S -","- C28 H24 F6 O6 S -","- C112 H96 F24 O24 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","0.71073","MoKα","","0.1436","0.0613","","","0.1065","0.136","","","","","","1.02","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152596","6.783","0.002","16.637","0.006","23.581","0.009","90","","90","","90","","2661.1","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 F6 O7 -","- C28 H22 F6 O7 -","- C112 H88 F24 O28 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Brannigan, Ian N.; Evans, Timothy A.; Haughey, Simon A.; McMurray, Brian T.; Malone, John F.; McIntyre, Peter B. A.; Stevenson, Paul J.; Allen, Christopher C. R.","Toluene dioxygenase-catalyzed cis-dihydroxylation of benzo[b]thiophenes and benzo[b]furans: synthesis of benzo[b]thiophene 2,3-oxide.","Organic & biomolecular chemistry","2012","10","36","7292","7304","10.1039/c2ob26120k","","","1.54178","CuKα","","0.1033","0.069","","","0.1732","0.2055","","","","","","1.021","","","","has coordinates","180311","2020-10-21","18:00:00",""
"7152605","5.9235","0.0003","8.7289","0.0005","41.0305","0.0019","90","","90","","90","","2121.51","0.19","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O2 S -","- C25 H2 O2 S -","- C100 H8 O8 S4 -","4","1","","Kitanosono, Taku; Sakai, Masaru; Ueno, Masaharu; Kobayashi, Shū","Chiral-Sc catalyzed asymmetric Michael addition/protonation of thiols with enones in water.","Organic & biomolecular chemistry","2012","10","35","7134","7147","10.1039/c2ob26264a","","","0.71075","MoKα","","","0.107","","","","0.3185","","","","","","2.022","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152606","5.7153","0.0008","7.9637","0.0012","32.145","0.005","90","","90","","90","","1463.1","0.4","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O S -","- C17 O S -","- C68 O4 S4 -","4","1","","Kitanosono, Taku; Sakai, Masaru; Ueno, Masaharu; Kobayashi, Shū","Chiral-Sc catalyzed asymmetric Michael addition/protonation of thiols with enones in water.","Organic & biomolecular chemistry","2012","10","35","7134","7147","10.1039/c2ob26264a","","","0.71075","MoKα","","","0.0953","","","","0.2809","","","","","","1.65","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152612","5.551","0.003","11.084","0.006","24.666","0.014","90","","90","","90","","1517.6","1.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Yang, Lihua; Xie, Peizhong; Li, Erqing; Li, Xin; Huang, You; Chen, Ruyu","Phosphine-catalyzed domino reaction: an efficient method for the synthesis of highly functionalized spirooxazolines.","Organic & biomolecular chemistry","2012","10","37","7628","7634","10.1039/c2ob26338f","","","0.71073","MoKα","","0.0602","0.0483","","","0.0872","0.0927","","","","","","1.021","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152637","8.8403","0.0005","11.1099","0.0007","35.459","0.002","90","","90","","90","","3482.6","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H43 N O11 P2 -","- C30 H43 N O11 P2 -","- C120 H172 N4 O44 P8 -","4","1","","Zhao, Mei-Xin; Dai, Tong-Lei; Liu, Ran; Wei, Deng-Ke; Zhou, Hao; Ji, Fei-Hu; Shi, Min","Enantioselective Michael addition of 3-aryloxindoles to a vinyl bisphosphonate ester catalyzed by a cinchona alkaloid derived thiourea catalyst.","Organic & biomolecular chemistry","2012","10","39","7970","7979","10.1039/c2ob25966d","","","0.71073","MoKα","","0.0632","0.054","","","0.1483","0.1578","","","","","","1.058","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152655","9.7433","0.0003","11.3443","0.0004","18.273","0.0007","90","","90","","90","","2019.73","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N O8 -","- C18 H20 Cl N O8 -","- C72 H80 Cl4 N4 O32 -","4","1","","Guo, Zhi-Wei; Xie, Jian-Wu; Chen, Ce; Zhu, Wei-Dong","Asymmetric catalytic [4 + 1] annulations catalyzed by quinidine: enantioselective synthesis of multi-functionalized isoxazoline N-oxides.","Organic & biomolecular chemistry","2012","10","42","8471","8477","10.1039/c2ob26165k","","","0.71073","MoKα","","","0.0525","","","0.1088","0.1305","","","","","","1.024","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152657","7.2879","0.0001","18.6931","0.0003","21.3386","0.0004","90","","90","","90","","2907.03","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 Cl2 Pd2 -","- C28 H42 Cl2 Pd2 -","- C112 H168 Cl8 Pd8 -","4","1","","Fernandes, Rodney A.; Nallasivam, Jothi L.","Enantioselective allylation of imines catalyzed by newly developed (-)-β-pinene-based π-allylpalladium catalyst: an efficient synthesis of (R)-α-propylpiperonylamine and (R)-pipecolic acid.","Organic & biomolecular chemistry","2012","10","38","7789","7800","10.1039/c2ob26188j","","","0.71073","MoKα","","0.029","0.0255","","","0.0625","0.0632","","","","","","1.005","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152696","7.271","0.0004","13.0197","0.0006","22.3322","0.0011","90","","90","","90","","2114.11","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl F4 N -","- C22 H22 Cl F4 N -","- C88 H88 Cl4 F16 N4 -","4","1","","Chia, Poh Wai; Brennan, Sarah C.; Slawin, Alexandra M. Z.; Riccardi, Daniela; O'Hagan, David","Allosteric agonists of the calcium receptor (CaR): fluorine and SF5 analogues of cinacalcet.","Organic & biomolecular chemistry","2012","10","39","7922","7927","10.1039/c2ob26402a","","","1.54178","CuKα","","0.0726","0.0704","","","0.1892","0.1918","","","","","","1.039","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152699","10.122","0.006","10.799","0.006","20.017","0.011","90","","90","","90","","2188","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O8 -","- C20 H24 Br N O8 -","- C80 H96 Br4 N4 O32 -","4","1","","Wang, Yao; Luo, Yong-Chun; Zhang, Hong-Bo; Xu, Peng-Fei","Concise construction of the tetracyclic core of lycorine-type alkaloids and the formal synthesis of α-lycorane based on asymmetric bifunctional thiourea-catalyzed cascade reaction.","Organic & biomolecular chemistry","2012","10","41","8211","8215","10.1039/c2ob26422f","","","0.71073","MoKα","","0.1185","0.0546","","","0.1393","0.1905","","","","","","0.767","","","","has coordinates","180312","2020-10-21","18:00:00",""
"7152706","6.355","","8.01","","24.798","","90","","90","","90","","1262.31","","200","2","200","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Hamza-Reguig, Samira; Derdour, Aïcha; Domingo, Luis R.; Sáez, José A; Roisnel, Thierry; Dorcet, Vincent; Nassar, Ekhlass; Mongin, Florence","Experimental and theoretical study of the [3 + 2] cycloaddition of carbonyl ylides with alkynes.","Organic & biomolecular chemistry","2012","10","42","8434","8444","10.1039/c2ob26442k","","x-ray","0.71073","MoKα","","0.0546","0.0391","","","0.0921","0.103","","","","","","0.946","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152714","8.2735","0.0003","9.7455","0.0004","9.7543","0.0004","90","","90","","90","","786.48","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O -","- C6 H14 Cl N O -","- C24 H56 Cl4 N4 O4 -","4","1","","Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Sulfur, oxygen, and nitrogen mustards: stability and reactivity.","Organic & biomolecular chemistry","2012","10","44","8786","8793","","","","1.54178","CuKα","","0.0154","0.0154","","","0.0418","0.0418","","","","","","1.154","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152745","6.3446","0.0001","16.7461","0.0002","19.6159","0.0002","90","","90","","90","","2084.14","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F3 N2 O5 -","- C20 H25 F3 N2 O5 -","- C80 H100 F12 N8 O20 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","1.54184","CuKα","","0.0303","0.0295","","","0.0751","0.0758","","","","","","1.059","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152746","6.3032","0.0014","17.505","0.004","19.677","0.004","90","","90","","90","","2171.1","0.8","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 F3 N2 O5 -","- C21 H27 F3 N2 O5 -","- C84 H108 F12 N8 O20 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","0.71073","MoKα","","0.0384","0.0346","","","0.0859","0.0886","","","","","","1.063","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152747","5.409","0.002","11.831","0.005","22.811","0.01","90","","90","","90","","1459.8","1","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N O3 -","- C15 H16 F3 N O3 -","- C60 H64 F12 N4 O12 -","4","1","","Erdbrink, Holger; Peuser, Ilona; Gerling, Ulla I. M.; Lentz, Dieter; Koksch, Beate; Czekelius, Constantin","Conjugate hydrotrifluoromethylation of α,β-unsaturated acyl-oxazolidinones: synthesis of chiral fluorinated amino acids.","Organic & biomolecular chemistry","2012","10","43","8583","8586","10.1039/c2ob26810h","","","0.71073","MoKα","","0.0723","0.0472","","","0.1143","0.1266","","","","","","1.121","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152767","4.9166","0.0006","13.1195","0.0013","42.105","0.004","90","","90","","90","","2715.9","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N6 O6 -","- C26 H36 N6 O6 -","- C104 H144 N24 O24 -","4","1","","Pehere, Ashok D.; Sumby, Christopher J.; Abell, Andrew D.","New cylindrical peptide assemblies defined by extended parallel β-sheets.","Organic & biomolecular chemistry","2013","11","3","425","429","10.1039/c2ob26637g","","","0.71073","MoKα","","0.1602","0.1039","","","0.2379","0.2792","","","","","","1.034","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152789","9.4027","0.0015","13.097","0.002","24.592","0.004","90","","90","","90","","3028.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 O5 P S -","- C29 H49 O5 P S -","- C116 H196 O20 P4 S4 -","4","1","","Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei","A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.","Organic & biomolecular chemistry","2013","11","5","828","834","10.1039/c2ob26986d","","","0.71073","MoKα","","0.0928","0.0627","","","0.1554","0.1769","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152804","10.153","0.003","10.273","0.003","16.191","0.005","90","","90","","90","","1688.7","0.9","200","2","200","2","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Boc-dgI-OEt","(4S,5S,E)-ethyl 4-(tert-butoxycarbonylamino)-5-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0455","0.0378","","","0.0912","0.0961","","","","","","1.023","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152809","8.258","0.003","11.699","0.004","23.879","0.007","90","","90","","90","","2307","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br Cl N2 O2 -","- C27 H22 Br Cl N2 O2 -","- C108 H88 Br4 Cl4 N8 O8 -","4","1","","Liang, Jinyan; Chen, Qiao; Liu, Luping; Jiang, Xianxing; Wang, Rui","An organocatalytic asymmetric double Michael cascade reaction of unsaturated ketones and unsaturated pyrazolones: highly efficient synthesis of spiropyrazolone derivatives.","Organic & biomolecular chemistry","2013","11","9","1441","1445","10.1039/c2ob27095a","","","0.71073","MoKα","","0.0904","0.0407","","","0.073","0.0868","","","","","","0.985","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152814","6.248","0.002","14.246","0.005","32.517","0.01","90","","90","","90","","2894.3","1.6","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O8 -","- C32 H40 O8 -","- C128 H160 O32 -","4","1","","Song, Qiu-Yan; Jiang, Kan; Zhao, Qian-Qian; Gao, Kun; Jin, Xiao-Jie; Yao, Xiao-Jun","Eleven new highly oxygenated triterpenoids from the leaves and stems of Schisandra chinensis.","Organic & biomolecular chemistry","2013","11","7","1251","1258","10.1039/c2ob27115j","","","0.71073","MoKα","","0.0851","0.048","","","0.0923","0.1054","","","","","","0.999","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152822","9.098","0.003","15.524","0.006","17.674","0.006","90","","90","","90","","2496.2","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Br N2 O3 -","- C28 H21 Br N2 O3 -","- C112 H84 Br4 N8 O12 -","4","1","","Qin, Tian-You; Liao, Wei-Wei; Zhang, Yan-Jing; Zhang, Sean Xiao-An","Asymmetric organocatalytic allylic alkylation of Reissert compounds: a facile access to chiral 1,1-disubstituted 1,2-dihydroisoquinolines.","Organic & biomolecular chemistry","2013","11","6","984","990","10.1039/c2ob27269e","","","0.71073","MoKα","","0.0799","0.0415","","","0.0942","0.1073","","","","","","1.006","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152823","9.801","0.003","10.969","0.003","14.07","0.004","90","","90","","90","","1512.6","0.8","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C64 H48 Br4 N4 O12 -","4","1","","De Fusco, Claudia; Meninno, Sara; Tedesco, Consiglia; Lattanzi, Alessandra","Enantioselective α-hydroxylation of β-ketoamides.","Organic & biomolecular chemistry","2013","11","6","896","899","10.1039/c2ob27283k","","","0.71073","MoKα","","0.1224","0.0789","","","0.1777","0.1993","","","","","","1.075","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152828","7.0809","0.0007","7.6178","0.0008","21.146","0.002","90","","90","","90","","1140.6","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C48 H44 N12 O4 S4 -","4","1","","Xie, Zengyang; Zhu, Xiaojun; Guan, Yangfan; Zhu, Dunru; Hu, Hongwen; Lin, Chen; Pan, Yi; Jiang, Juli; Wang, Leyong","Cu-catalyzed direct C-H bond functionalization: a regioselective protocol to 5-aryl thiazolo[3,2-b]-1,2,4-triazoles.","Organic & biomolecular chemistry","2013","11","8","1390","1398","10.1039/c2ob27326h","","","0.71073","MoKα","","0.0486","0.0349","","","0.0752","0.0818","","","","","","1.038","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152832","8.0469","0.0007","20.6366","0.0015","32.852","0.003","90","","90","","90","","5455.4","0.8","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","S-FBPOHMe","","","- C16 H16 O3 -","- C16 H16 O3 -","- C256 H256 O48 -","16","4","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","0.71073","MoKα","","0.0744","0.0436","","","0.0887","0.1024","","","","","","1.034","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152833","10.6549","0.0004","12.0512","0.0005","17.2822","0.0005","90","","90","","90","","2219.11","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","S-FBPOH/R-Trp","","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C108 H104 N8 O16 -","4","1","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","0.71073","MoKα","","0.0613","0.0495","","","0.0996","0.1059","","","","","","1.089","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152849","9.862","0.002","10.08","0.002","27.249","0.006","90","","90","","90","","2708.8","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-isopropyl-5-methylcyclohexyl-4-(tert-butoxycarbonylamino)-2-methyl-5-phenylpentanoate","2-isopropyl-5-methylcyclohexyl-4-(tert-butoxycarbonylamino)-2-methyl-5-phenylpentanoate","","- C27 H43 N O4 -","- C27 H43 N O4 -","- C108 H172 N4 O16 -","4","1","","Shankar, Sreejith P.; Jagodzinska, Monika; Malpezzi, Luciana; Lazzari, Paolo; Manca, Ilaria; Greig, Iain R.; Sani, Monica; Zanda, Matteo","Synthesis and structure-activity relationship studies of novel tubulysin U analogues - effect on cytotoxicity of structural variations in the tubuvaline fragment.","Organic & biomolecular chemistry","2013","11","14","2273","2287","10.1039/c3ob27111k","","","1.54179","CuKα","","0.0591","0.0477","","","0.1207","0.1301","","","","","","1.072","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152851","14.698","0.002","14.698","0.001","15.598","0.003","90","","90","","90","","3369.7","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 F6 N3 O8 -","- C29 H39 F6 N3 O8 -","- C116 H156 F24 N12 O32 -","4","1","","Bellucci, Maria Cristina; Terraneo, Giancarlo; Volonterio, Alessandro","Multi-component synthesis of peptide-sugar conjugates.","Organic & biomolecular chemistry","2013","11","15","2421","2444","10.1039/c3ob27176e","","","0.71073","MoKα","","0.0862","0.0438","","","0.1157","0.132","","","","","","0.956","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152860","6.0206","0.0004","10.2488","0.0007","20.3688","0.0013","90","","90","","90","","1256.83","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br S -","- C14 H11 Br S -","- C56 H44 Br4 S4 -","4","1","","Yang, Zhaozhen; Chen, Xiaoyi; Kong, Wei; Xia, Siyuan; Zheng, Renwei; Luo, Fang; Zhu, Gangguo","An operationally simple approach to (E)-α-halo vinyl sulfides and their applications for accessing stereodefined trisubstituted alkenes.","Organic & biomolecular chemistry","2013","11","13","2175","2185","10.1039/c3ob27307e","","","0.71073","MoKα","","0.0682","0.0353","","","0.074","0.0815","","","","","","1.059","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152870","9.829","0.0004","9.8991","0.0004","16.3718","0.0006","90","","90","","90","","1592.95","0.11","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0355","0.0331","","","0.0862","0.088","","","","","","1.043","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152873","8.53","0.0003","12.4076","0.0004","15.1863","0.0007","90","","90","","90","","1607.27","0.11","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N4 O2 -","- C17 H24 N4 O2 -","- C68 H96 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","1.5418","CuKα","","0.0444","0.0387","","","0.1035","0.1165","","","","","","1.154","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152879","14.0399","0.0003","8.1422","0.0002","14.4418","0.0003","90","","90","","90","","1650.92","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N4 O2 -","- C15 H28 N4 O2 -","- C60 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.057","0.045","","","0.0982","0.1057","","","","","","1.036","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152889","9.6394","0.0003","13.2527","0.0004","22.5332","0.0006","90","","90","","90","","2878.57","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 O7 S2 -","- C30 H36 O7 S2 -","- C120 H144 O28 S8 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","0.71073","MoKα","","0.0281","0.0266","","","0.0694","0.0705","","","","","","1.02","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152891","12.4942","0.0006","13.9308","0.0006","40.8485","0.0018","90","","90","","90","","7109.9","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 F O7.5 S2 -","- C38 H46 F O7.5 S2 -","- C304 H368 F8 O60 S16 -","8","2","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","0.71073","MoKα","","0.0599","0.0412","","","0.0844","0.0932","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152892","8.2366","0.0002","12.8102","0.0003","37.2684","0.0007","90","","90","","90","","3932.28","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 F O9 S2 -","- C37 H41 F O9 S2 -","- C148 H164 F4 O36 S8 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0295","0.0292","","","0.0789","0.0791","","","","","","1.084","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152893","12.3385","0.0001","13.7101","0.0002","41.224","0.0005","90","","90","","90","","6973.54","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 F O7.5 S2 -","- C37 H42 F O7.5 S2 -","- C296 H336 F8 O60 S16 -","8","2","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0291","0.0284","","","0.076","0.0765","","","","","","1.057","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152898","6.9174","0.0002","9.4363","0.0003","14.0634","0.0004","90","","90","","90","","917.98","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C32 H60 N4 O12 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Polyhydroxylated pyrrolizidine alkaloids from transannular iodoaminations: application to the asymmetric syntheses of (-)-hyacinthacine A1, (-)-7a-epi-hyacinthacine A1, (-)-hyacinthacine A2, and (-)-1-epi-alexine.","Organic & biomolecular chemistry","2013","11","19","3187","3202","10.1039/c3ob40205c","","","1.54184","CuKα","","0.0382","0.034","","0.0864","0.083","0.0864","","","","","","1.0023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152899","9.0523","0.0001","11.9795","0.0002","22.5183","0.0004","90","","90","","90","","2441.93","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O6 -","- C25 H37 N O6 -","- C100 H148 N4 O24 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Polyhydroxylated pyrrolizidine alkaloids from transannular iodoaminations: application to the asymmetric syntheses of (-)-hyacinthacine A1, (-)-7a-epi-hyacinthacine A1, (-)-hyacinthacine A2, and (-)-1-epi-alexine.","Organic & biomolecular chemistry","2013","11","19","3187","3202","10.1039/c3ob40205c","","","0.71073","MoKα","","0.0322","0.028","","0.0678","0.0635","0.0678","","","","","","0.9306","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152916","9.992","0.002","10.278","0.002","17.851","0.004","90","","90","","90","","1833.3","0.7","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N2 O7 P -","- C15 H23 N2 O7 P -","- C60 H92 N8 O28 P4 -","4","1","","Fan, Weidong; Kong, Shasha; Cai, Yan; Wu, Guiping; Miao, Zhiwei","Diastereo- and enantioselective nitro-Mannich reaction of α-substituted nitroacetates to N-phosphoryl imines catalyzed by cinchona alkaloid thiourea organocatalysts.","Organic & biomolecular chemistry","2013","11","19","3223","3229","10.1039/c3ob40335a","","","0.71073","MoKα","","0.0341","0.0285","","","0.065","0.0668","","","","","","1.014","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152936","15.4853","0.0008","23.2543","0.001","27.7178","0.001","90","","90","","90","","9981.2","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C70.5 H130 O42 -","- C70.5 H130 O42 -","- C282 H520 O168 -","4","1","","Jouffroy, Matthieu; Armspach, Dominique; Matt, Dominique; Toupet, Loïc","Regioselective di- and tetra-functionalisation of γ-cyclodextrin using capping methodology.","Organic & biomolecular chemistry","2013","11","22","3699","3705","10.1039/c3ob40234g","","","0.71073","MoKα","","0.2359","0.07","","","0.1668","0.2129","","","","","","0.691","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152954","7.9993","0.0002","12.1497","0.0002","21.7198","0.0004","90","","90","","90","","2110.93","0.07","123","1","123","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N3 O2 -","- C25 H29 N3 O2 -","- C100 H116 N12 O8 -","4","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0238","0.0235","","","0.0577","0.0581","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152969","33.5085","0.0013","6.1892","0.0002","8.0369","0.0003","90","","90","","90","","1666.78","0.1","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Liao, Cang-Song; Tang, Chun-Ping; Yao, Sheng; Ye, Yang","Humulane-type sesquiterpenoids from Pilea cavaleriei subsp. crenata.","Organic & biomolecular chemistry","2013","11","29","4840","4846","10.1039/c3ob40872h","","","1.54178","CuKα","","0.0526","0.0516","","","0.1472","0.1478","","","","","","1.093","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152979","18.7511","0.0009","23.3396","0.0011","28.1926","0.0013","90","","90","","90","","12338.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-D-Pro-Ala-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl -alanyl-leucyl-phenylalanyl-valyl-methyl ester","","- C54 H78 N8 O12 -","- C54 H78 N8 O12 -","- C432 H624 N64 O96 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.2319","0.1208","","","0.2897","0.4029","","","","","","1.041","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152980","18.88","0.003","24.579","0.004","28.78","0.005","90","","90","","90","","13355","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-D-Pro-Ac6c-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-1-amino-1-cyclohexane- 1-oyl-leucyl-phenylalanyl-valyl-methyl ester monohydrate 1,4 dioxnae solvate","","- C58 H88 N8 O12.5 -","- C58 H88 N8 O12.5 -","- C464 H704 N64 O100 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2345","0.1249","","","0.2262","0.2884","","","","","","0.961","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152985","19.086","0.004","26.216","0.005","28.015","0.006","90","","90","","90","","14018","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Tyr-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-tyrosinyl-valyl-D-prolyl- prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H83.5 N8 O13.5 -","- C56 H83.5 N8 O13.5 -","- C448 H668 N64 O108 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2101","0.0989","","","0.2064","0.2713","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152989","6.8433","0.0018","18.424","0.005","20.221","0.005","90","","90","","90","","2549.5","1.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N3 O4 -","- C24 H40 N3 O4 -","- C96 H160 N12 O16 -","4","1","","Frantz, Marie-Céline; Skoda, Erin M.; Sacher, Joshua R.; Epperly, Michael W.; Goff, Julie P.; Greenberger, Joel S.; Wipf, Peter","Synthesis of analogs of the radiation mitigator JP4-039 and visualization of BODIPY derivatives in mitochondria.","Organic & biomolecular chemistry","2013","11","25","4147","4153","10.1039/c3ob40489g","","","0.71073","MoKα","","0.0707","0.0484","","","0.1258","0.1371","","","","","","1.1","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7153001","8.1508","0.0005","17.5996","0.0011","28.8453","0.0018","90","","90","","90","","4137.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N -","- C25 H27 N -","- C200 H216 N8 -","8","2","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1132","0.0541","","","0.1127","0.1371","","","","","","1.009","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153004","9.746","0.002","17.508","0.003","25.813","0.007","90","","90","","90","","4404.5","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C168 H200 N8 O24 -","8","2","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1699","0.0967","","","0.2539","0.3081","","","","","","1.023","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153017","5.6971","0.0002","11.5145","0.0003","19.4201","0.0005","90","","90","","90","","1273.94","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.0292","0.0285","","","0.081","0.0823","","","","","","1.059","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153030","5.1378","0.0003","6.7876","0.0004","32.299","0.0017","90","","90","","90","","1126.37","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","compound 5b","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Asta, Chimène; Schmidt, Dietmar; Conrad, Jürgen; Frey, Wolfgang; Beifuss, Uwe","Combination of enzyme- and Lewis acid-catalyzed reactions: a new method for the synthesis of 6,7-dihydrobenzofuran-4(5H)-ones starting from 2,5-dimethylfuran and 1,3-cyclohexanediones.","Organic & biomolecular chemistry","2013","11","34","5692","5701","10.1039/c3ob40926k","","","0.71073","MoKα","","0.0651","0.0521","","","0.1061","0.1102","","","","","","1.088","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153033","11.2588","0.0001","11.763","0.0002","12.8358","0.0002","90","","90","","90","","1699.94","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C84 H100 N12 O8 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","1.54178","CuKα","","0.0344","0.0329","","","0.0849","0.0861","","","","","","1.068","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153034","8.047","0.0017","10.678","0.003","22.331","0.005","90","","90","","90","","1918.8","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O3 -","- C22 H29 N3 O3 -","- C88 H116 N12 O12 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","0.71073","MoKα","","0.0727","0.0628","","","0.1275","0.1319","","","","","","1.131","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153035","10.6567","0.0003","13.9156","0.0004","24.7451","0.0006","90","","90","","90","","3669.56","0.17","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 N3 O6 S -","- C41 H49 N3 O6 S -","- C164 H196 N12 O24 S4 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","1.54178","CuKα","","0.0336","0.0332","","","0.0921","0.0925","","","","","","1.045","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153044","10.3509","0.0006","11.7545","0.0007","15.0554","0.0009","90","","90","","90","","1831.79","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C80 H88 O12 S4 -","4","1","","Aitken, Harry R. M.; Furkert, Daniel P.; Hubert, Jonathan G.; Wood, James M.; Brimble, Margaret A.","Enantioselective access to benzannulated spiroketals using a chiral sulfoxide auxiliary.","Organic & biomolecular chemistry","2013","11","31","5147","5155","10.1039/c3ob41065j","","","0.71073","MoKα","","0.0483","0.0378","","","0.0793","0.084","","","","","","1.037","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153057","8.2718","0.0007","13.6799","0.0013","23.831","0.002","90","","90","","90","","2696.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 F2 N O7 S2 -","- C27 H25 F2 N O7 S2 -","- C108 H100 F8 N4 O28 S8 -","4","1","","Dou, Xiaowei; Lu, Yixin","Enantioselective conjugate addition of 3-fluoro-oxindoles to vinyl sulfone: an organocatalytic access to chiral 3-fluoro-3-substituted oxindoles.","Organic & biomolecular chemistry","2013","11","32","5217","5221","10.1039/c3ob41267a","","","0.71073","MoKα","","0.0458","0.0402","","","0.0883","0.091","","","","","","1.028","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153058","8.4338","0.0001","15.4596","0.0003","15.6357","0.0003","90","","90","","90","","2038.63","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","Mattson 1860","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C96 H88 N8 O20 -","4","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0469","0.0348","","","0.0715","0.0761","","","","","","1.066","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153061","8.5784","0.00001","15.2797","0.0002","16.5909","0.0002","90","","90","","90","","2174.66","0.04","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","Mattson 1956","","","- C24 H21 Cl N2 O5 -","- C24 H21 Cl N2 O5 -","- C96 H84 Cl4 N8 O20 -","4","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0446","0.035","","","0.079","0.0838","","","","","","1.051","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153078","8.6627","0.0012","13.7443","0.0019","23.277","0.003","90","","90","","90","","2771.4","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O4 -","- C31 H36 N2 O4 -","- C124 H144 N8 O16 -","4","1","","Liu, Gang; Li, Jian; Qiu, Lin; Liu, Li; Xu, Guangyang; Ma, Bing; Sun, Jiangtao","Palladium-catalyzed carbenoid based N-H bond insertions: application to the synthesis of chiral α-amino esters.","Organic & biomolecular chemistry","2013","11","36","5998","6002","10.1039/c3ob41331d","","","0.71073","MoKα","","0.0611","0.0489","","","0.116","0.1232","","","","","","1.008","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153082","8.046","0.001","14.28","0.002","22.646","0.003","90","","90","","90","","2602","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 N2 O4 -","- C27 H34 N2 O4 -","- C108 H136 N8 O16 -","4","1","","Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.","Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.","Organic & biomolecular chemistry","2011","9","1","297","306","10.1039/c0ob00529k","","","0.71073","MoKα","","0.0854","0.0418","","","0.0939","0.1034","","","","","","0.807","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153090","7.2458","0.0009","7.571","0.0009","34.793","0.004","90","","90","","90","","1908.7","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0502","0.0374","","","0.0804","0.0871","","","","","","1.039","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153091","6.2123","0.0008","14.7435","0.0019","20.723","0.003","90","","90","","90","","1898","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0407","0.0351","","","0.0822","0.0858","","","","","","1.029","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153107","7.36955","0.00008","8.40431","0.00011","24.1914","0.0003","90","","90","","90","","1498.32","0.03","150","","150","","","","","","","","total synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C52 H76 N12 O24 -","4","1","","Glawar, Andreas F. G.; Jenkinson, Sarah F.; Newberry, Scott J.; Thompson, Amber L.; Nakagawa, Shinpei; Yoshihara, Akihide; Akimitsu, Kazuya; Izumori, Ken; Butters, Terry D.; Kato, Atsushi; Fleet, George W. J.","An approach to 8 stereoisomers of homonojirimycin from d-glucose via kinetic & thermodynamic azido-γ-lactones.","Organic & biomolecular chemistry","2013","11","40","6886","6899","10.1039/c3ob41334a","","","1.54184","CuKα","","0.0246","0.024","","0.0623","0.0618","0.0623","","","","","","1.0121","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153117","7.7952","0.0016","13.733","0.003","21.171","0.004","90","","90","","90","","2266.4","0.8","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O5 S -","- C23 H22 Br N O5 S -","- C92 H88 Br4 N4 O20 S4 -","4","1","","Zou, Gong-Feng; Pan, Feng; Liao, Wei-Wei","Lewis base catalyzed asymmetric substitution/Diels-Alder cascade reaction: a rapid and efficient construction of enantioenriched diverse tricyclic heterocycles.","Organic & biomolecular chemistry","2013","11","41","7080","7083","10.1039/c3ob41454j","","","0.71073","MoKα","","0.0475","0.0357","","","0.087","0.0922","","","","","","1.039","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153120","9.7965","0.0006","10.618","0.0007","21.199","0.001","90","","90","","90","","2205.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sugar","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C80 H104 N16 O24 -","4","1","","Vangala, Madhuri; Dhokale, Snehal A.; Gawade, Rupesh L.; Pattuparambil, Rajamohanan R.; Puranik, Vedavati G.; Dhavale, Dilip D.","Sugar furanoid trans-vicinal diacid as a γ-turn inducer: synthesis and conformational study.","Organic & biomolecular chemistry","2013","11","40","6874","6878","10.1039/c3ob41462k","","","0.71073","MoKα","","0.0564","0.0461","","","0.1064","0.1118","","","","","","1.063","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153123","6.7467","0.0004","12.811","0.0007","21.6174","0.0013","90","","90","","90","","1868.43","0.19","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh","Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.","Organic & biomolecular chemistry","2013","11","40","6984","6993","10.1039/c3ob41482e","","","0.71073","MoKα","","0.155","0.0706","","","0.154","0.1849","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153124","8.7505","0.0005","10.8915","0.0006","15.6217","0.0007","90","","90","","90","","1488.84","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H0 N8 O4 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Wang, Wenjing; Xue, Jijun; Tian, Tian; Jiao, Yingdong; Li, Ying","The first asymmetric total synthesis of (+)-coriandrone A and B.","Organic & biomolecular chemistry","2013","11","39","6686","6690","10.1039/c3ob41497c","","","0.7107","MoKα","","0.0648","0.0501","","","0.1048","0.1157","","","","","","1.08","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153131","9.0858","0.0003","10.4482","0.0004","17.2738","0.0005","90","","90","","90","","1639.81","0.1","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","0.71073","MoKα","","0.0679","0.0458","","","0.0882","0.098","","","","","","1.034","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153132","9.0802","0.0001","10.4402","0.0002","17.2659","0.0002","90","","90","","90","","1636.79","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","1.54184","CuKα","","0.0275","0.0269","","","0.0737","0.0744","","","","","","1.033","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153161","9.7943","0.0004","10.0856","0.0004","17.1604","0.0008","90","","90","","90","","1695.13","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2S)-hydroxy-2-(2-oxo-(4R),(6R)-diphenyl-1,3,2-dioxaphosphorinan-2-yl) acetate","","- C18 H19 O6 P -","- C18 H19 O6 P -","- C72 H76 O24 P4 -","4","1","","Schiessl, Katharina; Roller, Alexander; Hammerschmidt, Friedrich","Determination of absolute configuration of the phosphonic acid moiety of fosfazinomycins.","Organic & biomolecular chemistry","2013","11","42","7420","7426","10.1039/c3ob41574k","","","0.71073","MoKα","","0.0322","0.0295","","","0.0814","0.0837","","","","","","1.018","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153181","7.735","0.002","14.242","0.004","16.353","0.004","90","","90","","90","","1801.5","0.8","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0412","","","","0.0989","","","","","","0.896","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153184","7.392","0.0011","10.7494","0.0015","25.7003","0.0012","90","","90","","90","","2042.1","0.4","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl F3 N3 O S2 -","- C18 H18 Cl F3 N3 O S2 -","- C72 H72 Cl4 F12 N12 O4 S8 -","4","1","","Mei, Haibo; Xie, Chen; Wu, Lingmin; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric Mannich reactions of imidazo[2,1-b]thiazole-derived nucleophiles with (SS)-N-tert-butanesulfinyl (3,3,3)-trifluoroacetaldimine.","Organic & biomolecular chemistry","2013","11","46","8018","8021","10.1039/c3ob41785a","","","0.71073","MoKα","","0.0459","0.0425","","","0.0974","0.0979","","","","","","1.066","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153204","8.9732","0.0008","10.4292","0.0009","25.653","0.002","90","","90","","90","","2400.7","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C23 H32 N4 O5 -","- C23 H32 N4 O5 -","- C92 H128 N16 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1041","0.0502","","","0.1181","0.1394","","","","","","1.025","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153205","7.1599","0.0007","11.846","0.0011","25.16","0.002","90","","90","","90","","2134","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N3 O4 -","- C21 H22 Br N3 O4 -","- C84 H88 Br4 N12 O16 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1049","0.0749","","","0.1234","0.133","","","","","","1.203","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153208","8.547","0.005","9.694","0.005","22.943","0.012","90","","90","","90","","1900.9","1.8","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.049","0.0479","","","0.1241","0.1257","","","","","","1.042","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153209","10.6231","0.0007","10.9569","0.0007","19.528","0.0012","90","","90","","90","","2273","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C24 H28 N2 O5 -","- C24 H28 N2 O5 -","- C96 H112 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0507","0.0402","","","0.0897","0.0946","","","","","","1.066","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153210","8.111","0.002","9.756","0.002","20.126","0.006","90","","90","","90","","1592.6","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0405","0.0353","","","0.0796","0.0823","","","","","","1.031","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153211","7.4115","0.0004","16.548","0.0009","19.3577","0.0011","90","","90","","90","","2374.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C100 H136 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0464","0.0442","","","0.1039","0.1054","","","","","","1.09","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153212","8.3515","0.0008","9.6398","0.0009","22.979","0.002","90","","90","","90","","1850","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0527","0.043","","","0.1081","0.115","","","","","","1.062","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153213","8.173","0.005","13.001","0.008","17.35","0.011","90","","90","","90","","1844","2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0663","0.0488","","","0.1005","0.1084","","","","","","1.117","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7153233","9.5924","0.0003","12.9905","0.0003","15.0218","0.0004","90","","90","","90","","1871.87","0.09","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 Cl N O2 S -","- C19 H28 Cl N O2 S -","- C76 H112 Cl4 N4 O8 S4 -","4","1","","Dobbs, Adrian P.; Guesné, Sebastien J J; Parker, Robert J.; Skidmore, John; Stephenson, Richard A.; Hursthouse, Mike B.","A detailed investigation of the aza-Prins reaction.","Organic & biomolecular chemistry","2010","8","5","1064","1080","10.1039/b915797b","","","0.71073","MoKα","","0.0516","0.0376","","","0.0826","0.0886","","","","","","1.038","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153260","4.9234","0.0002","9.5712","0.0002","17.319","0.0006","90","","90","","90","","816.12","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 N O4 Se -","- C7 H7 N O4 Se -","- C28 H28 N4 O16 Se4 -","4","1","","Yu, Sun-Chol; Kuhn, Hartmut; Daniliuc, Constantin-Gabriel; Ivanov, Igor; Jones, Peter G.; du Mont, Wolf-Walther","5-Selenization of salicylic acid derivatives yielded isoform-specific 5-lipoxygenase inhibitors.","Organic & biomolecular chemistry","2010","8","4","828","834","10.1039/b918778b","","","0.71073","MoKα","","0.0239","0.0195","","","0.0348","0.0351","","","","","","0.934","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153271","14.072","0.0001","14.218","0.0001","22.889","0.0003","90","","90","","90","","4579.53","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C208 H256 N16 O40 -","8","2","","Boyd, D. R.; Sharma, N. D.; Sbircea, L.; Murphy, D.; Malone, J. F.; James, S. L.; Allen, C. C. R.; Hamilton, J. T. G.","Chemoenzymatic synthesis of chiral 2,2'-bipyridine ligands and their N-oxide derivatives: applications in the asymmetric aminolysis of epoxides and asymmetric allylation of aldehydes.","Organic & biomolecular chemistry","2010","8","5","1081","1090","10.1039/b919894f","","","0.71073","MoKα","","0.0587","0.0462","","","0.1115","0.1179","","","","","","1.068","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153272","14.1616","0.0001","14.2969","0.0001","22.8822","0.0002","90","","90","","90","","4632.89","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N2 O6 -","- C26 H32 N2 O6 -","- C208 H256 N16 O48 -","8","2","","Boyd, D. R.; Sharma, N. D.; Sbircea, L.; Murphy, D.; Malone, J. F.; James, S. L.; Allen, C. C. R.; Hamilton, J. T. G.","Chemoenzymatic synthesis of chiral 2,2'-bipyridine ligands and their N-oxide derivatives: applications in the asymmetric aminolysis of epoxides and asymmetric allylation of aldehydes.","Organic & biomolecular chemistry","2010","8","5","1081","1090","10.1039/b919894f","","","0.71073","MoKα","","0.0603","0.055","","","0.1431","0.1461","","","","","","1.155","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153277","6.3882","0.0001","10.3973","0.0002","18.3495","0.0004","90","","90","","90","","1218.77","0.04","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0331","0.0258","","0.0346","0.0301","0.0301","","","","","","1.1495","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153278","6.205","0.0001","11.5001","0.0003","17.0648","0.0005","90","","90","","90","","1217.71","0.05","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0398","0.0286","","0.0389","0.0331","0.0331","","","","","","1.1573","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153279","9.7159","0.0002","9.7758","0.0002","14.8253","0.0004","90","","90","","90","","1408.12","0.06","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0341","0.0303","","0.081","0.0797","0.081","","","","","","0.955","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153282","6.3638","0.0001","12.4427","0.0003","15.6175","0.0004","90","","90","","90","","1236.64","0.05","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Austin, Kerrie A. B.; Elsworth, Jon D.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic and enantiodivergent routes to 1,2-ring-fused bicyclo[2.2.2]octane and related tricyclic frameworks.","Organic & biomolecular chemistry","2010","8","4","751","754","10.1039/b921600f","","","0.71073","MoKα","","0.0432","0.0318","","0.0701","0.068","0.0701","","","","","","0.8107","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153287","6.4808","0.0006","15.236","0.0013","15.7084","0.0014","90","","90","","90","","1551.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Dungan, Victoria J.; Ortin, Yannick; Mueller-Bunz, Helge; Rutledge, Peter J.","Design and synthesis of a tetradentate '3-amine-1-carboxylate' ligand to mimic the metal binding environment at the non-heme iron(II) oxidase active site.","Organic & biomolecular chemistry","2010","8","7","1666","1673","10.1039/b921934j","","","0.71073","MoKα","","0.0333","0.031","","","0.0767","0.0782","","","","","","1.065","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153295","7.4309","0.001","10.1138","0.0012","16.7778","0.0018","90","","90","","90","","1260.9","0.3","123.1","","123.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Hayashi, Nobuyuki; Yamamoto, Kentaro; Minowa, Nobuto; Mitomi, Masaaki; Nakada, Masahisa","Synthesis of NH006‒a photostable fungicide effective against Botrytis cinerea‒according to the asymmetric total synthesis of MK8383.","Organic & biomolecular chemistry","2010","8","8","1821","1825","10.1039/b924096a","","","0.71075","MoKα","","","0.0488","","","","0.1278","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153310","6.3113","0.0006","8.5733","0.0009","39.914","0.004","90","","90","","90","","2159.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H20 O4 -","- C29 H20 O4 -","- C116 H80 O16 -","4","1","","Xie, Fuchun; Pan, Xuan; Lin, Shijun; Hu, Youhong","A base-promoted desalicyloylative dimerization of 3-(1-alkynyl)chromones: an unusual approach to 2-alkynyl xanthones.","Organic & biomolecular chemistry","2010","8","6","1378","1381","10.1039/b925234g","","","0.71073","MoKα","","0.0547","0.0334","","","0.0587","0.0623","","","","","","0.832","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153319","8.7304","0.0003","8.9046","0.0002","16.6172","0.0005","90","","90","","90","","1291.83","0.07","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C56 H72 N8 O4 -","4","1","","Fuentes de Arriba, Angel L.; Simón, Luis; Raposo, César; Alcázar, Victoria; Sanz, Francisca; Muñiz, Francisco M; Morán, Joaquín R","Imidazolidinone intermediates in prolinamide-catalyzed aldol reactions.","Organic & biomolecular chemistry","2010","8","13","2979","2985","10.1039/b926284a","","","1.54178","CuKα","","0.0263","0.0259","","","0.0687","0.0692","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153321","6.6712","0.0002","14.9403","0.0004","15.7482","0.0004","90","","90","","90","","1569.62","0.07","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O3 -","- C18 H17 N3 O3 -","- C72 H68 N12 O12 -","4","1","","Fuentes de Arriba, Angel L.; Simón, Luis; Raposo, César; Alcázar, Victoria; Sanz, Francisca; Muñiz, Francisco M; Morán, Joaquín R","Imidazolidinone intermediates in prolinamide-catalyzed aldol reactions.","Organic & biomolecular chemistry","2010","8","13","2979","2985","10.1039/b926284a","","","1.54178","CuKα","","0.0277","0.0262","","","0.0695","0.0708","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153326","12.5855","0.001","14.0795","0.0011","21.9701","0.0017","90","","90","","90","","3893","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Cl O2 -","- C24 H19 Cl O2 -","- C192 H152 Cl8 O16 -","8","2","","Wu, Chunlin; Li, Wenjun; Yang, Juanjuan; Liang, Xinmiao; Ye, Jinxing","Asymmetric organocatalytic Michael addition of anthrone to enone.","Organic & biomolecular chemistry","2010","8","14","3244","3250","10.1039/b927421a","","","0.71073","MoKα","","0.0748","0.0535","","","0.144","0.1599","","","","","","1.033","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153328","12.4729","0.0012","13.3772","0.0013","13.8882","0.0013","90","","90","","90","","2317.3","0.4","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 N O2 -","- C33 H25 N O2 -","- C132 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Hisamatsu, Shugo; Mitsuhashi, Hakuei; Takahashi, Masahiro; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kishikawa, Keiki","Reversal of regioselectivity (straight vs. cross ring closure) in the intramolecular [2+2] photocycloaddition of phenanthrene derivatives.","Organic & biomolecular chemistry","2010","8","9","2174","2179","10.1039/c000179a","","","0.71073","MoKα","","0.0562","0.0437","","","0.09","0.0963","","","","","","1.087","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153339","8.165","0.015","13.02","0.03","26.83","0.06","90","","90","","90","","2852","11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 O5 -","- C31 H50 O5 -","- C124 H200 O20 -","4","1","","Yang, Xian-Wen; Li, Su-Mei; Wu, Liang; Li, Yong-Li; Feng, Lin; Shen, Yun-Heng; Tian, Jun-Mian; Tang, Jian; Wang, Ning; Liu, Yonghong; Zhang, Wei-Dong","Abiesatrines A-J: anti-inflammatory and antitumor triterpenoids from Abies georgei Orr.","Organic & biomolecular chemistry","2010","8","11","2609","2616","10.1039/c001885f","","","0.71073","MoKα","","0.2828","0.0711","","","0.1422","0.1882","","","","","","0.948","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153341","5.53","0.0003","8.5175","0.0006","34.0903","0.0018","90","","90","","90","","1605.71","0.17","296","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O3 -","- C16 H18 Cl N O3 -","- C64 H72 Cl4 N4 O12 -","4","1","","Li, Zhao-Bo; Luo, Shu-Ping; Guo, Yi; Xia, Ai-Bao; Xu, Dan-Qian","The highly enantioselective Michael addition of ketones to nitrodienes catalyzed by the efficient organocatalyst system of pyrrolidinyl-thioimidazole and chiral thioureido acid.","Organic & biomolecular chemistry","2010","8","11","2505","2508","10.1039/c002197k","","","0.71075","MoKα","","","0.0436","","","","0.1238","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153350","6.286","0.001","8.661","0.002","19.599","0.004","90","","90","","90","","1067","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-Methyl-4,5-dihydro-6H-pyrrolo(1,2-a)(1,4)benzodiazepin-6-one","1-Methyl-4,5-dihydro-6H-pyrrolo[1,2-a][1,4]benzodiazepin-6-one","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Butin, Alexander V.; Nevolina, Tatyana A.; Shcherbinin, Vitaly A.; Trushkov, Igor V.; Cheshkov, Dmitry A.; Krapivin, Gennady D.","Furan ring opening-pyrrole ring closure: a new synthetic route to aryl(heteroaryl)-annulated pyrrolo[1,2-a][1,4]diazepines.","Organic & biomolecular chemistry","2010","8","14","3316","3327","10.1039/c002994g","","","0.71073","MoKα","","0.0743","0.0208","","","0.0493","0.0547","","","","","","0.864","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153352","5.3436","0.0012","6.2291","0.0019","29.214","0.008","90","","90","","90","","972.4","0.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-3-Aminothiochromane hydrochloride","","- C9 H12 Cl N S -","- C9 H12 Cl N S -","- C36 H48 Cl4 N4 S4 -","4","1","","Mercey, Guillaume; Legay, Remi; Lohier, Jean-François; Santos, Jana Sopkova-de Oliveira; Levillain, Jocelyne; Gaumont, Annie-Claude; Gulea, Mihaela","Synthesis of 3-amino-thiochromanes from 4-benzyl 2-thiazolines, via an unprecedented intramolecular electrophilic aromatic substitution.","Organic & biomolecular chemistry","2010","8","11","2520","2521","10.1039/c003050c","","","0.71073","MoKα","","0.0413","0.0337","","","0.0809","0.0847","","","","","","1.115","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153353","5.3668","0.0011","6.2152","0.0012","29.035","0.006","90","","90","","90","","968.5","0.3","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-3-Aminothiochromane hydrochloride","","- C9 H12 Cl N S -","- C9 H12 Cl N S -","- C36 H48 Cl4 N4 S4 -","4","1","","Mercey, Guillaume; Legay, Remi; Lohier, Jean-François; Santos, Jana Sopkova-de Oliveira; Levillain, Jocelyne; Gaumont, Annie-Claude; Gulea, Mihaela","Synthesis of 3-amino-thiochromanes from 4-benzyl 2-thiazolines, via an unprecedented intramolecular electrophilic aromatic substitution.","Organic & biomolecular chemistry","2010","8","11","2520","2521","10.1039/c003050c","","","0.71073","MoKα","","0.0774","0.059","","","0.1336","0.1406","","","","","","1.124","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153366","10.0807","0.0002","19.0872","0.0004","22.99","0.0005","90","","90","","90","","4423.56","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F3 N2 O4 -","- C15 H15 F3 N2 O4 -","- C180 H180 F36 N24 O48 -","12","3","","Stewart, Scott G.; Ghisalberti, Emilio L.; Skelton, Brian W.; Heath, Charles H.","Formation and reactions of azepino[4,5-b]indoles: an unprecedented ozone reaction in the formation of novel benzo[c]naphthyridinones.","Organic & biomolecular chemistry","2010","8","15","3563","3570","10.1039/c003742g","","","0.71073","MoKα","","0.051","0.0372","","","0.0768","0.0789","","","","","","1.055","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153374","10.949","0.003","14.354","0.003","24.633","0.005","90","","90","","90","","3871.4","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Z-(R)-BpAib-(S)-Phe-NHChx dichloromethane solvate","Z-(R)-BpAib-(S)-Phe-NHChx dichloromethane solvate","","- C40.71 H42.42 Cl1.42 N3 O5 -","- C40.712 H42.424 Cl1.424 N3 O5 -","- C162.848 H169.696 Cl5.696 N12 O20 -","4","1","","Wright, Karen; Moretto, Alessandro; Crisma, Marco; Wakselman, Michel; Mazaleyrat, Jean-Paul; Formaggio, Fernando; Toniolo, Claudio","A new tool for photoaffinity labeling studies: a partially constrained, benzophenone based, alpha-amino acid.","Organic & biomolecular chemistry","2010","8","14","3281","3286","10.1039/c003943h","","","1.54178","CuKα","","0.0874","0.0678","","","0.1916","0.207","","","","","","1.019","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153389","6.778","0.0001","8.5059","0.0002","19.6445","0.0004","90","","90","","90","","1132.56","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","","Sar, Anobick; Lindeman, Sergey; Donaldson, William A.","De novo synthesis of polyhydroxyl aminocyclohexanes.","Organic & biomolecular chemistry","2010","8","17","3908","3917","10.1039/c004730a","","","1.54178","CuKα","","0.0305","0.029","","","0.0763","0.0773","","","","","","0.994","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153395","6.1828","0.0008","9.6681","0.0012","27.58","0.004","90","","90","","90","","1648.6","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 Br -","- C23 H15 Br -","- C92 H60 Br4 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0386","0.0362","","","0.0897","0.0914","","","","","","1.11","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153396","6.8227","0.0007","9.1562","0.001","25.406","0.003","90","","90","","90","","1587.1","0.3","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 -","- C23 H16 -","- C92 H64 -","4","1","","Banide, Emilie V.; O'Connor, Crystal; Fortune, Natasha; Ortin, Yannick; Milosevic, Sandra; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, X-ray crystal structures and reactivity of fluorenylidene- and dibenzosuberenylidene-allenes: convenient precursors to dispirotetracenes, di-indenotetracenes and 2-phenyl-11bH-dibenz[cd,h]azulene.","Organic & biomolecular chemistry","2010","8","17","3997","4010","10.1039/c004868b","","","0.71073","MoKα","","0.0321","0.0288","","","0.0658","0.0674","","","","","","1.088","","","","has coordinates","180319","2020-10-21","18:00:00",""
"7153426","8.5561","0.0002","15.6585","0.0004","17.715","0.0004","90","","90","","90","","2373.38","0.1","183","2","183","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H35 B K N3 O7 -","- C18 H35 B K N3 O7 -","- C72 H140 B4 K4 N12 O28 -","4","1","","Pitchumony, Tamil Selvi; Spingler, Bernhard; Motterlini, Roberto; Alberto, Roger","Syntheses, structural characterization and CO releasing properties of boranocarbonate [H3BCO2H]- derivatives.","Organic & biomolecular chemistry","2010","8","21","4849","4854","10.1039/c0ob00099j","","","0.7107","MoKα","","0.0872","0.038","","","0.058","0.0694","","","","","","0.88","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153442","10.9909","0.001","13.0053","0.0011","20.0553","0.0018","90","","90","","90","","2866.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-(1,1-bis(4-dimethylaminophenyl)vinyl)-3-phenyl-1H- naphtho(2,1-b)pyran","1-(1,1-bis(4-dimethylaminophenyl)vinyl)-3-phenyl-1H-naphtho[2,1-b]pyran","","- C37 H34 N2 O -","- C37 H34 N2 O -","- C148 H136 N8 O4 -","4","1","","Gabbutt, Christopher D.; Heron, B. Mark; Kilner, Colin; Kolla, Suresh B.","The influence of a 1,1-diarylvinyl moiety on the photochromism of naphthopyrans.","Organic & biomolecular chemistry","2010","8","21","4874","4883","10.1039/c0ob00141d","","","0.71073","MoKα","","0.0669","0.0431","","","0.0957","0.1087","","","","","","1.063","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153443","6.607","0.003","10.212","0.004","20.641","0.008","90","","90","","90","","1392.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Br N O3 -","- C14 H14 Br N O3 -","- C56 H56 Br4 N4 O12 -","4","1","","Yu, Feng; Jin, Zhichao; Huang, Huicai; Ye, Tingting; Liang, Xinmiao; Ye, Jinxing","A highly efficient asymmetric Michael addition of α,α-disubstituted aldehydes to maleimides catalyzed by primary amine thiourea salt.","Organic & biomolecular chemistry","2010","8","20","4767","4774","10.1039/c0ob00154f","","","0.71073","MoKα","","0.0511","0.0398","","","0.0822","0.085","","","","","","0.913","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153455","6.634","0.003","9.052","0.003","14.778","0.006","90","","90","","90","","887.4","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 I N O2 -","- C7 H10 I N O2 -","- C28 H40 I4 N4 O8 -","4","1","","Leng, Dong-Hui; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang","Highly efficient and enantioselective biotransformations of β-lactam carbonitriles and carboxamides and their synthetic applications.","Organic & biomolecular chemistry","2010","8","20","4736","4743","10.1039/c0ob00198h","","","0.71073","MoKα","","0.0479","0.0438","","","0.0948","0.0978","","","","","","1.144","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153459","8.459","0.004","9.484","0.004","18.978","0.008","90","","90","","90","","1522.5","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triazolobenzodiazocine","","","- C18 H16 N4 O -","- C18 H16 N4 O -","- C72 H64 N16 O4 -","4","1","","Chowdhury, Chinmay; Sasmal, Anup Kumar; Achari, Basudeb","An expedient and facile route for the general synthesis of 3-aryl substituted 1,2,3-triazolo[1,5-a][1,4]benzodiazepin-6-ones and 1,2,3-triazolo[1,5-a][1,5]benzodiazocin-7-ones.","Organic & biomolecular chemistry","2010","8","21","4971","4977","10.1039/c0ob00217h","","","0.71073","MoKα","","0.0494","0.0439","","","0.1203","0.1274","","","","","","0.782","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153460","7.2935","0.0002","12.373","0.0003","20.6291","0.0005","90","","90","","90","","1861.62","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cl N3 O S -","- C20 H18 Cl N3 O S -","- C80 H72 Cl4 N12 O4 S4 -","4","1","","Kumar, Varun; Raghavaiah, Pallepogu; Mobin, Shaikh M.; Nair, Vipin A.","Diastereoselective syntheses of 3-aryl-5-(arylalkyl)-6-methyl-1-(1-phenylethyl)thioxotetrahydropyrimidin-4(1H)-ones: a stereochemical perspective from endo and exocyclic chiral centres.","Organic & biomolecular chemistry","2010","8","21","4960","4970","10.1039/c0ob00230e","","","0.71073","MoKα","","0.0283","0.0254","","","0.0643","0.0652","","","","","","1.04","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153461","7.5879","0.0002","10.1912","0.0002","24.2981","0.0004","90","","90","","90","","1878.97","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cl N3 O S -","- C20 H18 Cl N3 O S -","- C80 H72 Cl4 N12 O4 S4 -","4","1","","Kumar, Varun; Raghavaiah, Pallepogu; Mobin, Shaikh M.; Nair, Vipin A.","Diastereoselective syntheses of 3-aryl-5-(arylalkyl)-6-methyl-1-(1-phenylethyl)thioxotetrahydropyrimidin-4(1H)-ones: a stereochemical perspective from endo and exocyclic chiral centres.","Organic & biomolecular chemistry","2010","8","21","4960","4970","10.1039/c0ob00230e","","","0.71073","MoKα","","0.0226","0.0211","","","0.0567","0.0571","","","","","","1.073","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153481","11.001","0.002","11.945","0.002","20.385","0.005","90","","90","","90","","2678.7","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N,N'-(2S,7S,E)-1,1,1,8,8,8-hexafluorooct-4-ene-2,7-diyl)bis(N-(4- methoxylphenyl)acetamide)","","- C26 H28 F6 N2 O4 -","- C26 H28 F6 N2 O4 -","- C104 H112 F24 N8 O16 -","4","1","","Madelaine, Claire; Buriez, Olivier; Crousse, Benoît; Florent, Isabelle; Grellier, Philippe; Retailleau, Pascal; Six, Yvan","Aminocyclopropanes as precursors of endoperoxides with antimalarial activity.","Organic & biomolecular chemistry","2010","8","24","5591","5601","10.1039/c0ob00308e","","","0.71069","MoKα","","0.0409","0.035","","","0.0908","0.0955","","","","","","1.044","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153491","6.03265","0.00006","14.26965","0.00012","16.47322","0.00013","90","","90","","90","","1418.08","0.02","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","12-Hydroxy-11b-methyl-11b,12-dihydro-11a-aza-indeno(2,1- a)fluoren-11-one","12-Hydroxy-11b-methyl-11b,12-dihydro-11a-aza-indeno[2,1-a]fluoren-11-one","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","1","","Chamas, Zein el abidine; Dietz, Olivier; Aubert, Emmanuel; Fort, Yves; Mamane, Victor","Synthesis of new pentacyclic chromophores through a highly regio- and diastereoselective cascade process.","Organic & biomolecular chemistry","2010","8","21","4815","4818","10.1039/c0ob00390e","","","0.71073","MoKα","","0.0367","0.0331","","","0.0907","0.0922","","","","","","1.084","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153492","4.0331","0.00007","15.7754","0.0002","22.1253","0.0003","90","","90","","90","","1407.69","0.04","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","12-Hydroxy-5-methyl-11b,12-dihydro-11a-aza-indeno(2,1- a)fluoren-11-one","12-Hydroxy-5-methyl-11b,12-dihydro-11a-aza-indeno[2,1-a]fluoren-11-one","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C80 H60 N4 O8 -","4","1","","Chamas, Zein el abidine; Dietz, Olivier; Aubert, Emmanuel; Fort, Yves; Mamane, Victor","Synthesis of new pentacyclic chromophores through a highly regio- and diastereoselective cascade process.","Organic & biomolecular chemistry","2010","8","21","4815","4818","10.1039/c0ob00390e","","","0.71073","MoKα","","0.05","0.0476","","","0.1236","0.1248","","","","","","1.209","","","","has coordinates","180320","2020-10-21","18:00:00",""
"7153497","6.837","0.002","10.47","0.005","18.506","0.006","90","","90","","90","","1324.7","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ADDTop","","","- C13 H17 N3 O6 -","- C13 H17 N3 O6 -","- C52 H68 N12 O24 -","4","1","","Xie, Yun; Maxson, Tucker; Tor, Yitzhak","Fluorescent nucleoside analogue displays enhanced emission upon pairing with guanine.","Organic & biomolecular chemistry","2010","8","22","5053","5055","10.1039/c0ob00413h","","","1.54178","CuKα","","0.0409","0.0358","","","0.0882","0.091","","","","","","1.059","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7153517","5.804","0.001","11.033","0.001","15.991","0.001","90","","90","","90","","1024","0.2","100","","100","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N2 O5 -","- C8 H16 N2 O5 -","- C32 H64 N8 O20 -","4","1","","Davies, Stephen G.; Haggitt, Jane R.; Ichihara, Osamu; Kelly, Richard J.; Leech, Michael A.; Price Mortimer, Anne J.; Roberts, Paul M.; Smith, Andrew D.","Asymmetric total synthesis of sperabillins B and D via lithium amide conjugate addition","Organic & Biomolecular Chemistry","2004","2","18","2630","2649","10.1039/b404962d","","","0.71073","MoKα","","0.041","0.0389","","0.0311","0.0309","0.0309","","","","","","1.1139","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153518","8.2499","0.0009","13.392","0.003","18.48","0.002","90","","90","","90","","2041.7","0.6","298","","","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 I N O4 -","- C19 H26 I N O4 -","- C76 H104 I4 N4 O16 -","4","1","","Davies, Stephen G.; Haggitt, Jane R.; Ichihara, Osamu; Kelly, Richard J.; Leech, Michael A.; Price Mortimer, Anne J.; Roberts, Paul M.; Smith, Andrew D.","Asymmetric total synthesis of sperabillins B and D via lithium amide conjugate addition","Organic & Biomolecular Chemistry","2004","2","18","2630","2649","10.1039/b404962d","","","1.54175","CuKα","","","0.036","","","0.04","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153519","9.0094","0.0005","13.0282","0.0007","15.5661","0.0012","90","","90","","90","","1827.1","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N3 O6 Tc -","- C16 H16 N3 O6 Tc -","- C64 H64 N12 O24 Tc4 -","4","1","","van Staveren, Dave R.; Mundwiler, Stefan; Hoffmanns, Ulrich; Pak, Jae Kyoung; Spingler, Bernhard; Metzler-Nolte, Nils; Alberto, Roger","Conjugation of a novel histidine derivative to biomolecules and labelling with [99mTc(OH2)3(CO)3]+Electronic supplementary information (ESI) available: complete 1H and 13C NMR spectra of 14, 15, 16 and 19. See http://www.rsc.org/suppdata/ob/b4/b405575f/","Organic & Biomolecular Chemistry","2004","2","18","2593","2603","10.1039/b405575f","","","0.71073","MoKα","","0.0501","0.0386","","","0.0874","0.0915","","","","","","0.981","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153531","8.23","0.01","9.09","0.02","22.57","0.04","90","","90","","90","","1688","5","82","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","","Wang, Libo; Nakamura, Shuichi; Toru, Takeshi","Highly enantioselective reaction of lithiated N-Boc-thiazolidine: a new chiral formyl anion equivalent","Organic & Biomolecular Chemistry","2004","2","15","2168","2169","10.1039/b408509d","","","1.5419","CuKα","","","0.066","","","","0.068","","","","","","4.581","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153533","11.1668","0.0003","11.7777","0.0003","20.32","0.0006","90","","90","","90","","2672.47","0.13","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N4 O3 -","- C30 H36 N4 O3 -","- C120 H144 N16 O12 -","4","1","","El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes","Organic & Biomolecular Chemistry","2004","2","20","2935","2941","10.1039/b409115a","","","0.71073","MoKα","","0.1061","0.0765","","","0.1793","0.1945","","","","","","1.036","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153536","7.476","0.0001","14.31","0.0002","26.388","0.0004","90","","90","","90","","2823.03","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 N3 O5 S2 -","- C28 H41 N3 O5 S2 -","- C112 H164 N12 O20 S8 -","4","1","","Scheuermann, J. Erik W.; Sibbons, Kevin F.; Benoit, David M.; Motevalli, Majid; Watkinson, Michael","The synthesis of unsymmetrically N-substituted chiral 1,4,7-triazacyclononanesElectronic supplementary information (ESI) available: Molecular modelling methodology. Figs. S1?S4: Lowest energy conformation calculated for the protonated form of 6b, 6b�HOAc, the protonated form of 6a and 6a�HOAc. Figs. S5 and S6: Charge distribution calculated for the protonated forms of 6a and 6b. See http://www.rsc.org/suppdata/ob/b4/b409259g/","Organic & Biomolecular Chemistry","2004","2","18","2664","2670","10.1039/b409259g","","","0.71073","MoKα","","0.0619","0.0419","","","0.0854","0.0931","","","","","","0.999","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153537","10.752","0.004","11.183","0.005","21.829","0.01","90","","90","","90","","2624.7","1.9","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 N3 O4 S2 -","- C24 H37 N3 O4 S2 -","- C96 H148 N12 O16 S8 -","4","1","","Scheuermann, J. Erik W.; Sibbons, Kevin F.; Benoit, David M.; Motevalli, Majid; Watkinson, Michael","The synthesis of unsymmetrically N-substituted chiral 1,4,7-triazacyclononanesElectronic supplementary information (ESI) available: Molecular modelling methodology. Figs. S1?S4: Lowest energy conformation calculated for the protonated form of 6b, 6b�HOAc, the protonated form of 6a and 6a�HOAc. Figs. S5 and S6: Charge distribution calculated for the protonated forms of 6a and 6b. See http://www.rsc.org/suppdata/ob/b4/b409259g/","Organic & Biomolecular Chemistry","2004","2","18","2664","2670","10.1039/b409259g","","","0.71069","MoKα","","0.0887","0.0448","","","0.1024","0.1162","","","","","","1.055","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153548","5.5694","0.0015","10.414","0.003","30.935","0.008","90","","90","","90","","1794.2","0.8","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 N O4 -","- C18 H31 N O4 -","- C72 H124 N4 O16 -","4","1","","Lin, Geng-Jie; Huang, Pei-Qiang","A concise and fully selective synthesis of the ant venom alkaloid (3S,5R,8S,9S)-3-butyl-5-propyl-8-hydroxyindolizidine","Organic & Biomolecular Chemistry","2009","7","21","4491","4495","10.1039/b912190k","","","0.71073","MoKα","","0.0884","0.0569","","","0.1508","0.166","","","","","","1.024","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153587","8.901","0.002","12.206","0.003","22.343","0.006","90","","90","","90","","2427.5","1","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N2 O6 P -","- C25 H25 N2 O6 P -","- C100 H100 N8 O24 P4 -","4","1","","George, Jimil; Sridhar, B.; Reddy, B. V. Subba","First example of quinine-squaramide catalyzed enantioselective addition of diphenyl phosphite to ketimines derived from isatins.","Organic & biomolecular chemistry","2014","12","10","1595","1602","10.1039/c3ob42026d","","","0.71073","MoKα","","0.0755","0.0685","","","0.1684","0.1747","","","","","","1.048","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153591","9.3972","0.0002","16.1308","0.0003","19.6022","0.0003","90","","90","","90","","2971.39","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C144 H136 N8 O24 -","8","2","","Nandakumar, Avanashiappan; Kiruthika, Selvarangam E.; Naveen, Kanagaraj; Perumal, Paramasivan Thirumalai","Pd(0)-catalyzed regio- and stereoselective cyclization of alkynes: selective synthesis of (E)-4-(isobenzofuran-1(3H)-ylidene)-1,2,3,4-tetrahydroisoquinolines and aze/oxepinoindoles.","Organic & biomolecular chemistry","2014","12","6","876","880","10.1039/c3ob42314j","","","0.71073","MoKα","","0.0379","0.033","","","0.0813","0.0857","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153601","8.85","0.003","12.001","0.004","12.727","0.004","90","","90","","90","","1351.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C68 H56 O16 -","4","1","","Zhang, Hongrui; Li, Haifeng; Xue, Jijun; Chen, Rui; Li, Ying; Tang, Yu; Li, Chunxin","New facile enantio- and diastereo-selective syntheses of (-)-triptonide and (-)-triptolide.","Organic & biomolecular chemistry","2014","12","5","732","736","10.1039/c3ob42183j","","","0.71073","MoKα","","0.0703","0.0488","","","0.1148","0.1309","","","","","","0.977","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153604","9.6704","0.0005","9.8238","0.0006","38.263","0.002","90","","90","","90","","3635","0.3","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C34 H46 Br N5 O6 -","- C34 H46 Br N5 O6 -","- C136 H184 Br4 N20 O24 -","4","1","","Nair, Roshna V.; Kotmale, Amol S.; Dhokale, Snehal A.; Gawade, Rupesh L.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Formation of a pseudo-β-hairpin motif utilizing the Ant-Pro reverse turn: consequences of stereochemical reordering.","Organic & biomolecular chemistry","2014","12","5","774","782","10.1039/c3ob42016g","","","0.71073","MoKα","","0.0593","0.0447","","","0.1143","0.1233","","","","","","1.022","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153618","6.2873","0.0011","12.402","0.002","22.054","0.004","90","","90","","90","","1719.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Cl O4 P -","- C19 H16 Cl O4 P -","- C76 H64 Cl4 O16 P4 -","4","1","","Alegre-Requena, Juan V; Marqués-López, Eugenia; Sanz Miguel, Pablo J.; Herrera, Raquel P.","Organocatalytic enantioselective hydrophosphonylation of aldehydes.","Organic & biomolecular chemistry","2014","12","8","1258","1264","10.1039/c3ob42403k","","","0.71073","MoKα","","0.0355","0.0315","","","0.0839","0.0883","","","","","","1.047","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153619","9.29","0.0005","16.2681","0.001","16.8894","0.001","90","","90","","90","","2552.5","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N3 O2 Se -","- C28 H29 N3 O2 Se -","- C112 H116 N12 O8 Se4 -","4","1","","Balkrishna, Shah Jaimin; Kumar, Shailesh; Azad, Gajendra Kumar; Bhakuni, Bhagat Singh; Panini, Piyush; Ahalawat, Navjeet; Tomar, Raghuvir Singh; Detty, Michael R.; Kumar, Sangit","An ebselen like catalyst with enhanced GPx activity via a selenol intermediate.","Organic & biomolecular chemistry","2014","12","8","1215","1219","10.1039/c4ob00027g","","","0.71073","MoKα","","0.0361","0.0275","","","0.059","0.0616","","","","","","1.052","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7153629","4.4884","0.0002","12.4932","0.0005","22.191","0.001","90","","90","","90","","1244.35","0.09","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H7 I2 N3 -","- C12 H7 I2 N3 -","- C48 H28 I8 N12 -","4","1","","Nagaradja, Elisabeth; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Mongin, Florence","Deproto-metallation using a mixed lithium-zinc base and computed CH acidity of 1-aryl 1H-benzotriazoles and 1-aryl 1H-indazoles.","Organic & biomolecular chemistry","2014","12","9","1475","1487","10.1039/c3ob42380h","","x-ray","0.71073","MoKα","","0.033","0.0314","","","0.0747","0.0756","","","","","","1.039","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153652","8.8558","0.0002","12.1899","0.0003","12.9536","0.0003","90","","90","","90","","1398.36","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl4 O -","- C14 H14 Cl4 O -","- C56 H56 Cl16 O4 -","4","1","","Olbrich, Martin; Mayer, Peter; Trauner, Dirk","A step toward polytwistane: synthesis and characterization of C2-symmetric tritwistane.","Organic & biomolecular chemistry","2014","12","1","108","112","10.1039/c3ob42152j","","","0.71073","MoKα","","0.0352","0.0302","","","0.0692","0.072","","","","","","1.065","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153662","9.5461","0.0004","9.6709","0.0004","15.4442","0.0007","90","","90","","90","","1425.8","0.11","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","VAA-48","3-Bromo-2-(2-nitroethyl)-N-tosylpyrrole","","- C13 H13 Br N2 O4 S -","- C13 H13 Br N2 O4 S -","- C52 H52 Br4 N8 O16 S4 -","4","1","","Jiang, Jianbing; Vairaprakash, Pothiappan; Reddy, Kanumuri Ramesh; Sahin, Tuba; Pavan, M. Phani; Lubian, Elisa; Lindsey, Jonathan S.","Hydrophilic tetracarboxy bacteriochlorins for photonics applications.","Organic & biomolecular chemistry","2014","12","1","86","103","10.1039/c3ob41791c","","","0.71073","MoKα","","0.0221","0.0192","","","0.0484","0.0491","","","","","","1.057","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153665","5.9357","0.0012","8.96","0.003","20.683","0.006","90","","90","","90","","1100","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cl2 I O3 S -","- C6 H7 Cl2 I O3 S -","- C24 H28 Cl8 I4 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","0.71073","MoKα","","0.0831","0.0715","","","0.184","0.1976","","","","","","1.072","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153667","6.6774","0.0001","10.9657","0.0002","11.0176","0.0002","90","","90","","90","","806.73","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cl O4 S -","- C6 H7 Cl O4 S -","- C24 H28 Cl4 O16 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Kaik, Magdalena; McIntyre, Peter B. A.; Malone, John F.; Stevenson, Paul J.","Reactions of enantiopure cyclic diols with sulfuryl chloride.","Organic & biomolecular chemistry","2014","12","13","2128","2136","10.1039/c4ob00042k","","","1.5418","CuKα","","0.0226","0.0225","","","0.0603","0.0603","","","","","","1.081","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153671","10.499","0.016","11.042","0.016","16.3","0.02","90","","90","","90","","1890","5","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F3 N4 O S2 -","- C16 H17 F3 N4 O S2 -","- C64 H68 F12 N16 O4 S8 -","4","1","","Mei, Haibo; Xiong, Yiwen; Xie, Chen; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Concise and scalable asymmetric synthesis of 5-(1-amino-2,2,2-trifluoroethyl)thiazolo[3,2-b][1,2,4]triazoles.","Organic & biomolecular chemistry","2014","12","13","2108","2113","10.1039/c3ob42348d","","","0.71073","MoKα","","0.0756","0.0653","","","0.1634","0.1708","","","","","","1.024","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7153695","6.4986","0.0013","7.2522","0.0015","40.288","0.008","90","","90","","90","","1898.7","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl3 N O3 -","- C18 H20 Cl3 N O3 -","- C72 H80 Cl12 N4 O12 -","4","1","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0595","0.0519","","","0.173","0.1892","","","","","","1.38","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153696","5.8326","0.0012","8.921","0.0018","40.497","0.008","90","","90","","90","","2107.2","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O6 S -","- C22 H23 N O6 S -","- C88 H92 N4 O24 S4 -","4","1","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0905","0.0708","","","0.1263","0.1377","","","","","","1.094","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153697","9.4908","0.0018","11.747","0.002","23.965","0.005","90","","90","","90","","2671.8","0.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cl3 N O -","- C12 H12 Cl3 N O -","- C96 H96 Cl24 N8 O8 -","8","2","","Jia, Wen-Qiang; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","Organocatalytic [4 + 2] cyclocondensation of α,β-unsaturated acyl chlorides with imines: highly enantioselective synthesis of dihydropyridinone and piperidine derivatives.","Organic & biomolecular chemistry","2014","12","14","2167","2171","10.1039/c4ob00114a","","","0.71073","MoKα","","0.0386","0.0374","","","0.0947","0.0953","","","","","","1.109","","","","has coordinates","180322","2020-10-21","18:00:00",""
"7153727","8.66504","0.00013","9.9818","0.0002","18.4067","0.0004","90","","90","","90","","1592.05","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C64 H100 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.54184","CuKα","","0.0339","0.0323","","0.0839","0.0811","0.0826","","","","","","1.0003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153732","12.315","0.0001","15.4817","0.0002","29.8308","0.0003","90","","90","","90","","5687.45","0.1","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H36 N O2.5 -","- C34.5 H36 N O2.5 -","- C276 H288 N8 O20 -","8","2","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Roberts, Paul M.; Souleymanou, Myriam Y.; Thomson, James E.; Zammit, Charlotte M.","Diastereoselective Ireland-Claisen rearrangements of substituted allyl β-amino esters: applications in the asymmetric synthesis of C(5)-substituted transpentacins.","Organic & biomolecular chemistry","2014","12","17","2702","2728","10.1039/c4ob00274a","","","1.5418","CuKα","","0.0454","0.0439","","0.1179","0.1164","0.1179","","","","","","0.9978","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153749","9.2379","0.0002","10.1214","0.0002","19.9426","0.0005","90","","90","","90","","1864.64","0.07","123","2","123","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 N O6 S -","- C15 H27 N O6 S -","- C60 H108 N4 O24 S4 -","4","1","","Callebaut, Gert; Colpaert, Filip; Nonn, Melinda; Kiss, Loránd; Sillanpää, Reijo; Törnroos, Karl W; Fülöp, Ferenc; De Kimpe, Norbert; Mangelinckx, Sven","Asymmetric synthesis of chloroisothreonine derivatives via syn-stereoselective Mannich-type additions across N-sulfinyl-α-chloroimines.","Organic & biomolecular chemistry","2014","12","21","3393","3405","10.1039/c4ob00243a","","x-ray","0.71073","MoKα","","0.0301","0.0279","","","0.0622","0.0637","","","","","","1.057","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153755","8.954","0.0018","9.455","0.0019","17.176","0.003","90","","90","","90","","1454.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","","Zhang, Yu; Lu, Yingyan; Tang, Weifang; Lu, Tao; Du, Ding","Cooperative N-heterocyclic carbene (NHC)-Lewis acid-mediated regioselective umpolung formal [3 + 2] annulations of alkynyl aldehydes with isatins.","Organic & biomolecular chemistry","2014","12","19","3009","3015","10.1039/c4ob00145a","","","0.71073","MoKα","","0.0713","0.0474","","","0.1126","0.1259","","","","","","1.009","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153776","6.7025","0.0005","19.621","0.002","20.267","0.003","90","","90","","90","","2665.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N6 S4 -","- C26 H22 N6 S4 -","- C104 H88 N24 S16 -","4","1","","Biet, Thomas; Avarvari, Narcis","Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.","Organic & biomolecular chemistry","2014","12","20","3167","3174","10.1039/c4ob00148f","","","0.71073","MoKα","","0.0876","0.0482","","","0.0789","0.0923","","","","","","1.125","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153786","9.85","0.0002","11.141","0.0002","14.4209","0.0003","90","","90","","90","","1582.53","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-1-Benzyl-4-(methyl-tert-butylphosphino-borane)-1H-1,2,3-triazole","","- C14 H23 B N3 P -","- C14 H23 B N3 P -","- C56 H92 B4 N12 P4 -","4","1","","Veillard, Romain; Bernoud, Elise; Abdellah, Ibrahim; Lohier, Jean-François; Alayrac, Carole; Gaumont, Annie-Claude","Silyl alkynylphosphine-boranes: key precursors of triazolylphosphines via tandem desilylation-Click chemistry.","Organic & biomolecular chemistry","2014","12","22","3635","3640","10.1039/c4ob00397g","","","0.71073","MoKα","","0.0396","0.0338","","","0.0799","0.0832","","","","","","1.076","","","","has coordinates,has disorder","180323","2020-10-21","18:00:00",""
"7153788","9.2345","0.0001","10.4403","0.0001","15.8938","0.0002","90","","90","","90","","1532.34","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 N4 O3 -","- C12 H22 N4 O3 -","- C48 H88 N16 O12 -","4","1","","Pike, Sarah J.; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Conformational analysis of helical aminoisobutyric acid (Aib) oligomers bearing C-terminal ester Schellman motifs.","Organic & biomolecular chemistry","2014","12","24","4124","4131","10.1039/c4ob00268g","","","1.54178","CuKα","","0.0265","0.0261","","","0.0674","0.0677","","","","","","1.069","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153796","8.1246","0.0003","9.2109","0.0003","14.8139","0.0005","90","","90","","90","","1108.6","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F N2 O2 -","- C11 H13 F N2 O2 -","- C44 H52 F4 N8 O8 -","4","1","","Ramachary, Dhevalapally B.; Shruthi, Kodambahalli S.","Asymmetric synthesis of tetrahydroquinolines through supramolecular organocatalysis.","Organic & biomolecular chemistry","2014","12","25","4300","4304","10.1039/c4ob00570h","","","1.54184","CuKα","","0.0497","0.0467","","","0.1298","0.134","","","","","","1.032","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153806","4.896","","11.351","","21.44","","90","","90","","90","","1191.52","","97","2","97","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C64 H44 N4 O8 -","4","1","","Edeson, Steven J.; Jiang, Julong; Swanson, Stephen; Procopiou, Panayiotis A.; Adams, Harry; Meijer, Anthony J. H. M.; Harrity, Joseph P. A.","Studies on the stereochemical assignment of 3-acylidene 2-oxindoles.","Organic & biomolecular chemistry","2014","12","20","3201","3210","10.1039/c4ob00496e","","","0.71073","MoKα","","0.0407","0.035","","","0.0749","0.0778","","","","","","1.054","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153813","9.1314","0.0013","12.4725","0.0018","12.8711","0.0018","90","","90","","90","","1465.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Liu, Dandan; Ai, Long; Li, Fan; Zhao, Annan; Chen, Jingbo; Zhang, Hongbin; Liu, Jianping","Total synthesis of lycorine-type alkaloids by cyclopropyl ring-opening rearrangement.","Organic & biomolecular chemistry","2014","12","20","3191","3200","10.1039/c4ob00126e","","","0.71073","MoKα","","0.0948","0.0462","","","0.0796","0.0969","","","","","","0.975","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153815","4.9093","0.0005","14.694","0.002","19.032","0.002","90","","90","","90","","1372.9","0.3","290","1","290","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.1205","0.0669","","","0.1516","0.1926","","","","","","0.863","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153817","5.4152","0.0004","15.1404","0.0014","15.678","0.0011","90","","90","","90","","1285.41","0.18","120","1","120","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Prasad, Karothu Durga; Trinath, Jamma; Biswas, Ansuman; Sekar, Kanagaraj; Balaji, Kithiganahalli N.; Guru Row, Tayur N.","Alkyl chain substituted 1,9-pyrazoloanthrones exhibit prominent inhibitory effect on c-Jun N-terminal kinase (JNK).","Organic & biomolecular chemistry","2014","12","26","4656","4662","10.1039/c4ob00548a","","x-ray","0.71073","MoKα","","0.1538","0.0709","","","0.1005","0.1304","","","","","","0.915","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153823","10.5637","0.0003","13.2734","0.0003","20.6274","0.0005","90","","90","","90","","2892.3","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H54 O5 -","- C30 H54 O5 -","- C120 H216 O20 -","4","1","","Yu, Jin-Hai; Shen, Yu; Liu, Hong-Bing; Leng, Ying; Zhang, Hua; Yue, Jian-Min","Dammarane-type triterpenoids as 11β-HSD1 inhibitors from Homonoia riparia.","Organic & biomolecular chemistry","2014","12","26","4716","4722","10.1039/c4ob00807c","","","1.54178","CuKα","","0.0674","0.0606","","","0.1672","0.1746","","","","","","1.037","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153828","8.6589","0.0007","10.1791","0.0006","15.9766","0.0012","90","","90","","90","","1408.17","0.18","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Zhu, Xu; Chiba, Shunsuke","TEMPO-mediated allylic C-H amination with hydrazones.","Organic & biomolecular chemistry","2014","12","26","4567","4570","10.1039/c4ob00839a","","","0.71073","MoKα","","0.0458","0.0401","","","0.0991","0.1029","","","","","","1.044","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153837","5.5701","0.0004","9.012","0.0006","33.683","0.002","90","","90","","90","","1690.81","0.19","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Su, Cunxiang; Xie, Ying; Pan, Hongjie; Liu, Mao; Tian, Hua; Shi, Yian","Organocatalytic synthesis of optically active β-branched α-amino esters via asymmetric biomimetic transamination.","Organic & biomolecular chemistry","2014","12","31","5856","5860","10.1039/c4ob00684d","","","0.71073","MoKα","","0.0671","0.0531","","","0.1152","0.1257","","","","","","1.116","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153848","5.6964","0.0003","12.6163","0.0005","12.8565","0.0007","90","","90","","90","","923.96","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C40 H32 N8 O8 -","4","1","","Pratap Reddy Gajulapalli, V.; Vinayagam, Poopathy; Kesavan, Venkitasamy","Organocatalytic asymmetric decarboxylative cyanomethylation of isatins using l-proline derived bifunctional thiourea.","Organic & biomolecular chemistry","2014","12","24","4186","4191","10.1039/c4ob00271g","","","0.71073","MoKα","","0.0337","0.031","","","0.0847","0.0863","","","","","","1.081","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153857","8.534","0.002","15.242","0.004","16.014","0.004","90","","90","","90","","2083","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 5-(tert-butylamino)-2-(4-nitrophenyl)-4-(thiophene-2-carbonyl) furan-3-carboxylate","","- C21 H20 N2 O6 S -","- C21 H20 N2 O6 S -","- C84 H80 N8 O24 S4 -","4","1","","Huynh, Thi Ngoc Tram; Retailleau, Pascal; Denhez, Clément; Nguyen, Kim Phi Phung; Guillaume, Dom","Regioselective synthesis of 3,4,5-trisubstituted 2-aminofurans.","Organic & biomolecular chemistry","2014","12","28","5098","5101","10.1039/c4ob01037j","","","0.7107","MoKα","","0.0463","0.0347","","","0.08","0.0871","","","","","","1.047","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153861","9.259","0.005","13.478","0.005","15.399","0.005","90","0.005","90","0.005","90","0.005","1921.7","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20.25 H20.25 N2.25 O4.5 S0 -","- C22 H17 N O S2 -","- C88 H68 N4 O4 S8 -","4","1","","Srivastava, Abhijeet; Shukla, Gaurav; Nagaraju, Anugula; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Jones, Raymond C. F.; Singh, Maya Shankar","In(OTf)3-catalysed one-pot versatile pyrrole synthesis through domino annulation of α-oxoketene-N,S-acetals with nitroolefins.","Organic & biomolecular chemistry","2014","12","29","5484","5491","10.1039/c4ob00781f","","","0.71073","MoKα","","0.0764","0.0568","","","0.1476","0.1767","","","","","","0.586","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153863","6.7699","0.0004","8.2068","0.0005","15.1001","0.0009","90","","90","","90","","838.95","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2,2-dihydroxy-2-(5-oxotetrahydrofuran-2-yl)acetate","","- C7 H10 O6 -","- C7 H10 O6 -","- C28 H40 O24 -","4","1","","Sudhakar, Gangarajula; Bayya, Shruthi; Kadam, Vilas D.; Nanubolu, Jagadeesh Babu","Total synthesis of gonytolides C and G, lachnone C, and formal synthesis of blennolide C and diversonol.","Organic & biomolecular chemistry","2014","12","30","5601","5610","10.1039/c4ob00950a","","","0.71073","MoKα","","0.0297","0.0295","","","0.083","0.0831","","","","","","1.201","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153875","5.9134","0.0001","19.9075","0.0004","23.6392","0.0005","90","","90","","90","","2782.83","0.09","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3β‒hydroxy‒16β‒(4‒phenyl‒1<i>H</i>‒1,2,3‒triazol‒1‒yl)‒ 17α‒hydroxy‒17β‒methyl‒D‒homoandrost‒5‒en‒17a‒one","","- C29 H37 N3 O3 -","- C29 H37 N3 O3 -","- C116 H148 N12 O12 -","4","1","","Kotovshchikov, Yury N.; Latyshev, Gennadij V.; Lukashev, Nikolay V.; Beletskaya, Irina P.","Synthesis of novel 1,2,3-triazolyl derivatives of pregnane, androstane and d-homoandrostane. Tandem ""click"" reaction/Cu-catalyzed d-homo rearrangement.","Organic & biomolecular chemistry","2014","12","22","3707","3720","10.1039/c4ob00404c","","","1.5418","CuKα","","0.0835","0.0465","","","0.1038","0.1158","","","","","","0.869","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153880","5.51","0.005","13.604","0.011","19.941","0.016","90","","90","","90","","1495","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Tian, Xiang-Yin; Han, Jian-Wei; Zhao, Qiong; Wong, Henry N. C.","Asymmetric synthesis of 3,3,5,5-tetrasubstituted 1,2-dioxolanes: total synthesis of epiplakinic acid F.","Organic & biomolecular chemistry","2014","12","22","3686","3700","10.1039/c4ob00448e","","","0.71073","MoKα","","0.0483","0.0411","","","0.1004","0.105","","","","","","1.014","","","","has coordinates,has disorder","180324","2020-10-21","18:00:00",""
"7153887","8.8826","0.0008","9.7822","0.0008","20.8708","0.0018","90","","90","","90","","1813.5","0.3","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Methyl 3-(4-chlorophenyl)-2-cyano-2,3-dihydronaphtho[1,2-b]furan-2-carbimidate","","- C21 H15 Cl N2 O2 -","- C21 H15 Cl N2 O2 -","- C84 H60 Cl4 N8 O8 -","4","1","","Mandha, Santhosh Reddy; Alla, Manjula; Nanubolu, Jagadeesh Babu","""One-pot"" access to dihydrofurans via tandem oxidative difunctionalization and ring contraction of aminopyrans.","Organic & biomolecular chemistry","2014","12","25","4412","4420","10.1039/c4ob00324a","","","0.71073","MoKα","","0.0343","0.0324","","","0.0858","0.0876","","","","","","0.986","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153889","9.3671","0.0006","9.5385","0.0007","17.0984","0.0012","90","","90","","90","","1527.71","0.18","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Roca-López, David; Marqués-López, Eugenia; Alcaine, Ana; Merino, Pedro; Herrera, Raquel P.","A Friedel-Crafts alkylation mechanism using an aminoindanol-derived thiourea catalyst.","Organic & biomolecular chemistry","2014","12","25","4503","4510","10.1039/c4ob00348a","","","1.54178","CuKα","","0.0575","0.0492","","","0.116","0.1197","","","","","","1.002","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153899","8.9169","0.0013","17.351","0.003","17.602","0.003","90","","90","","90","","2723.3","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl2 N2 O3 -","- C30 H30 Cl2 N2 O3 -","- C120 H120 Cl8 N8 O12 -","4","1","","Weber, Anna K.; Schachtner, Josef; Fichtler, Robert; Leermann, Timo M.; Neudörfl, Jörg M; Jacobi von Wangelin, Axel","Modular synthesis of cyclic cis- and trans-1,2-diamine derivatives.","Organic & biomolecular chemistry","2014","12","28","5267","5277","10.1039/c4ob00913d","","","0.71073","MoKα","","0.152","0.063","","","0.1281","0.1519","","","","","","1.028","","","","has coordinates","180324","2020-10-21","18:00:00",""
"7153909","9.96379","0.00018","10.04828","0.00018","19.6441","0.0004","90","","90","","90","","1966.75","0.06","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H16 O3 Se -","- C24 H16 O3 Se -","- C96 H64 O12 Se4 -","4","1","","Wu, Xiangfei; Shirakawa, Seiji; Maruoka, Keiji","Efficient asymmetric synthesis of spiro-2(3H)-furanones via phase-transfer-catalyzed alkynylation.","Organic & biomolecular chemistry","2014","12","29","5388","5392","10.1039/c4ob00969j","","","1.54187","CuKα","","","0.0541","","","","0.222","","","","","","1.604","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153929","10.6","0.004","12.434","0.005","16.898","0.006","90","","90","","90","","2227.2","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O6 S -","- C24 H25 N O6 S -","- C96 H100 N4 O24 S4 -","4","1","","Bera, Kalisankar; Namboothiri, Irishi N. N.","Enantioselective synthesis of γ-tetrasubstituted nitrosulfonyl carboxylates and amides vial-tert-leucine-derived-squaramide catalyzed conjugate addition of nitrosulfones to acrylates and acrylamides.","Organic & biomolecular chemistry","2014","12","33","6425","6431","10.1039/c4ob00344f","","","0.71073","MoKα","","0.0419","0.0381","","","0.0867","0.0885","","","","","","1.032","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153941","9.167","0.0002","13.2568","0.0003","15.2701","0.0004","90","","90","","90","","1855.7","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N3 O3 -","- C21 H27 N3 O3 -","- C84 H108 N12 O12 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","1.54178","CuKα","","0.045","0.0449","","","0.1232","0.1236","","","","","","1.042","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153942","7.3581","0.0012","9.136","0.0016","23.005","0.004","90","","90","","90","","1546.5","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Cl N2 O4 -","- C17 H17 Cl N2 O4 -","- C68 H68 Cl4 N8 O16 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","0.71073","MoKα","","0.0329","0.0284","","","0.068","0.0702","","","","","","1.045","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153943","6.8411","0.0003","12.9417","0.0006","16.7006","0.0008","90","","90","","90","","1478.6","0.12","175","2","175","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Li, Fuying; Cheng, Kejun; Antoline, Joshua F. G.; Iyer, Malliga R.; Matyas, Gary R.; Torres, Oscar B.; Jalah, Rashmi; Beck, Zoltan; Alving, Carl R.; Parrish, Damon A.; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis and immunological effects of heroin vaccines.","Organic & biomolecular chemistry","2014","12","37","7211","7232","10.1039/c4ob01053a","","","1.54178","CuKα","","0.0541","0.054","","","0.132","0.132","","","","","","1.106","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153948","11.211","0.0012","16.7616","0.0018","18.3398","0.0019","90","","90","","90","","3446.3","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,4aS,8S,8aS)-1-(2-bromophenyl)-8-phenyl-octahydropyrano[3,4-c]pyran","","- C20 H21 Br O2 -","- C20 H21 Br O2 -","- C160 H168 Br8 O16 -","8","2","","Subba Reddy, B. V.; Ramana Reddy, M.; Sridhar, B.; Singarapu, Kiran Kumar","Acetal-initiated Prins bicyclization for the synthesis of hexahydrofuro-[3,4-c]furan lignans and octahydropyrano[3,4-c]pyran derivatives.","Organic & biomolecular chemistry","2014","12","26","4754","4762","10.1039/c4ob00305e","","","0.71073","MoKα","","0.0431","0.0344","","","0.0881","0.0912","","","","","","0.974","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153974","6.7501","0.0005","17.4344","0.0013","19.5104","0.0014","90","","90","","90","","2296.1","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydroxy Pyrrolidine","","","- C21 H31 N O7 S -","- C21 H31 N O7 S -","- C84 H124 N4 O28 S4 -","4","1","","Tiwari, Dipak Kumar; Bharadwaj, Kishor Chandra; Puranik, Vedavati G.; Tiwari, Dharmendra Kumar","Divergent total synthesis of 1,6,8a-tri-epi-castanospermine and 1-deoxy-6,8a-di-epi-castanospermine from substituted azetidin-2-one (β-lactam), involving a cascade sequence of reactions as a key step.","Organic & biomolecular chemistry","2014","12","37","7389","7396","10.1039/c4ob00948g","","","0.71073","MoKα","","0.0739","0.0448","","","0.0997","0.111","","","","","","1.024","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153986","11.8362","0.0005","12.2518","0.0005","19.0137","0.0007","90","","90","","90","","2757.27","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Cl3 N O5 -","- C26 H38 Cl3 N O5 -","- C104 H152 Cl12 N4 O20 -","4","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.1166","0.0955","","","0.2488","0.272","","","","","","1.073","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153987","6.8794","0.0005","14.9305","0.001","22.2706","0.0015","90","","90","","90","","2287.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O4 -","- C25 H37 N O4 -","- C100 H148 N4 O16 -","4","1","","Kong, Lili; Rao, Mingjin; Ou, Jinjie; Yin, Jun; Lu, Weiqiang; Liu, Mingyao; Pang, Xiufeng; Gao, Shuanhu","Total synthesis and biological studies of cryptocin and derivatives of equisetin and fusarisetin A.","Organic & biomolecular chemistry","2014","12","38","7591","7597","10.1039/c4ob01149j","","","0.71073","MoKα","","0.0713","0.0437","","","0.0867","0.0992","","","","","","1.027","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153992","7.028","0.0011","12.5922","0.0019","14.037","0.002","90","","90","","90","","1242.2","0.3","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S,5R,6S,7R)-7-methyl-3-phenyl-4,5,6,7-tetrahydro-[1,2,3]triazolo [1,5-a]pyridine-4,5,6-triol","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C52 H60 N12 O12 -","4","1","","Putapatri, Siddamal Reddy; Kanwal, Abhinav; Sridhar, Balasubramanian; Banerjee, Sanjay K.; Kantevari, Srinivas","Synthesis of l-rhamnose derived chiral bicyclic triazoles as novel sodium-glucose transporter (SGLT) inhibitors.","Organic & biomolecular chemistry","2014","12","42","8415","8421","10.1039/c4ob01319k","","","0.71073","MoKα","","0.0286","0.0277","","","0.072","0.0727","","","","","","1.06","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153993","7.555","0.0005","11.987","0.0008","15.0918","0.0011","90","","90","","90","","1366.74","0.16","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S,5R,6S,7R)-7-methyl-3-p-tolyl-4,5,6,7-tetrahydro-[1,2,3]triazolo[1,5-a] pyridine-4,5,6-triol","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","","Putapatri, Siddamal Reddy; Kanwal, Abhinav; Sridhar, Balasubramanian; Banerjee, Sanjay K.; Kantevari, Srinivas","Synthesis of l-rhamnose derived chiral bicyclic triazoles as novel sodium-glucose transporter (SGLT) inhibitors.","Organic & biomolecular chemistry","2014","12","42","8415","8421","10.1039/c4ob01319k","","","0.71073","MoKα","","0.0291","0.0282","","","0.0717","0.0725","","","","","","1.083","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7153997","6.627","0.0003","7.9739","0.0003","32.9949","0.0014","90","","90","","90","","1743.55","0.13","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl N O4 -","- C19 H18 Cl N O4 -","- C76 H72 Cl4 N4 O16 -","4","1","","Takahashi, Masaki; Murata, Yusuke; Ishida, Masahiro; Yagishita, Fumitoshi; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi","Catalytic amide allylation of α-ketoesters: extremely high enantioselective synthesis of ester functionalised α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2014","12","39","7686","7689","10.1039/c4ob01508h","","","1.54178","CuKα","","0.0417","0.04","","","0.1097","0.1107","","","","","","1.026","","","","has coordinates","180325","2020-10-21","18:00:00",""
"7154007","7.681","0.003","12.525","0.005","14.693","0.006","90","","90","","90","","1413.5","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","trans-Methyl-3-(phenylsulfonyl)-1-propylpyrrolidin-2-one","","","- C14 H19 N O3 S -","- C14 H19 N O3 S -","- C56 H76 N4 O12 S4 -","4","1","","Clarke, Leslie Ann; Ring, Aoife; Ford, Alan; Sinha, Abhijeet S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed C-H insertion reaction of 2-sulfonyl-2-diazoacetamides to form γ-lactams.","Organic & biomolecular chemistry","2014","12","38","7612","7628","10.1039/c4ob01430h","","","0.71073","MoKα","","0.0257","0.0244","","","0.0626","0.0634","","","","","","1.051","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154008","5.5457","0.0003","8.9659","0.0003","42.4254","0.0013","90","","90","","90","","2109.48","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N5 O5 -","- C23 H25 N5 O5 -","- C92 H100 N20 O20 -","4","1","","Kovaliov, Marina; Wachtel, Chaim; Yavin, Eylon; Fischer, Bilha","Synthesis and evaluation of a photoresponsive quencher for fluorescent hybridization probes.","Organic & biomolecular chemistry","2014","12","39","7844","7858","10.1039/c4ob01185f","","","0.71073","MoKα","","0.0472","0.0388","","","0.0982","0.1028","","","","","","1.046","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154012","6.4067","0.0006","7.2419","0.0007","32.409","0.003","90","","90","","90","","1503.7","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H10 B F2 N3 O -","- C19 H10 B F2 N3 O -","- C76 H40 B4 F8 N12 O4 -","4","1","","Liu, Hui; Lu, Hua; Wu, Fan; Li, Zhifang; Kobayashi, Nagao; Shen, Zhen","Synthesis and spectroscopic properties of novel meso-cyano boron-pyridyl-isoindoline dyes.","Organic & biomolecular chemistry","2014","12","41","8223","8229","10.1039/c4ob01077a","","","0.71073","MoKα","","0.0274","0.0264","","","0.0653","0.0659","","","","","","1.069","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154027","10.054","0.0015","16.853","0.002","23.794","0.003","90","","90","","90","","4031.7","0.9","263","","263","","","","","","","","Chemical Synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H60 O16 -","- C43 H60 O16 -","- C172 H240 O64 -","4","1","","Ding, Chunyong; Wang, Lili; Chen, Haijun; Wild, Christopher; Ye, Na; Ding, Ye; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","ent-Kaurane-based regio- and stereoselective inverse electron demand hetero-Diels-Alder reactions: synthesis of dihydropyran-fused diterpenoids.","Organic & biomolecular chemistry","2014","12","42","8442","8452","10.1039/c4ob01040j","","","1.5418","CuKα","","0.0337","0.0334","","0.0922","0.0918","0.0922","","","","","","1.0046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154028","9.4979","0.0008","13.0601","0.001","21.0823","0.0016","90","","90","","90","","2615.1","0.4","263","","263","","","","","","","","Chemical Synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 Cl O7 -","- C28 H37 Cl O7 -","- C112 H148 Cl4 O28 -","4","1","","Ding, Chunyong; Wang, Lili; Chen, Haijun; Wild, Christopher; Ye, Na; Ding, Ye; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","ent-Kaurane-based regio- and stereoselective inverse electron demand hetero-Diels-Alder reactions: synthesis of dihydropyran-fused diterpenoids.","Organic & biomolecular chemistry","2014","12","42","8442","8452","10.1039/c4ob01040j","","","1.5418","CuKα","","0.045","0.0428","","0.1271","0.1245","0.1271","","","","","","0.9531","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154029","5.7933","0.0006","15.9715","0.0017","18.559","0.002","90","","90","","90","","1717.2","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 F3 N2 O2 S -","- C15 H19 F3 N2 O2 S -","- C60 H76 F12 N8 O8 S4 -","4","1","","Qian, Ping; Xie, Chen; Wu, Lingmin; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric synthesis of (3S,1'S)-3-(1-amino-2,2,2-trifluoroethyl)-1-(alkyl)-indolin-2-one derivatives by addition of (S)-N-t-butylsulfinyl-3,3,3-trifluoroacetaldimine to 1-(alkyl)-indolin-2-ones.","Organic & biomolecular chemistry","2014","12","40","7909","7913","10.1039/c4ob01453g","","","0.71073","MoKα","","0.0772","0.0405","","","0.0965","0.1172","","","","","","0.962","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7154075","5.3932","0.0008","7.7138","0.0011","49.332","0.007","90","","90","","90","","2052.3","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H37 Cl N O4 -","- C18 H37 Cl N O4 -","- C72 H148 Cl4 N4 O16 -","4","1","","Désiré, J; Mondon, M.; Fontelle, N.; Nakagawa, S.; Hirokami, Y.; Adachi, I.; Iwaki, R.; Fleet, G. W. J.; Alonzi, D. S.; Twigg, G.; Butters, T. D.; Bertrand, J.; Cendret, V.; Becq, F.; Norez, C.; Marrot, J.; Kato, A.; Blériot, Y","N- and C-alkylation of seven-membered iminosugars generates potent glucocerebrosidase inhibitors and F508del-CFTR correctors.","Organic & biomolecular chemistry","2014","12","44","8977","8996","10.1039/c4ob00325j","","","0.71073","MoKα","","0.123","0.1146","","","0.3128","0.3183","","","","","","1.081","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154077","9.0217","0.0007","13.8727","0.0015","15.2216","0.0013","90","","90","","90","","1905.1","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3S,3aR,4S)-ethyl 4-(benzyloxy)-2-((E)-carbamoyldiazenyl)-2-methylhexahydropyrrolo[1,2-b]isoxazole-3-carboxylate","","- C18 H24 N4 O5 -","- C18 H24 N4 O5 -","- C72 H96 N16 O20 -","4","1","","Majer, Roberta; Konechnaya, Olga; Delso, Ignacio; Tejero, Tomas; Attanasi, Orazio A.; Santeusanio, Stefania; Merino, Pedro","Highly diastereoselective 1,3-dipolar cycloadditions of chiral non-racemic nitrones to 1,2-diaza-1,3-dienes: an experimental and computational investigation.","Organic & biomolecular chemistry","2014","12","44","8888","8901","10.1039/c4ob01371a","","","0.71073","MoKα","","0.136","0.073","","","0.0936","0.1185","","","","","","0.966","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154080","8.9295","0.0007","13.0992","0.0013","19.384","0.002","90","","90","","90","","2267.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O3 -","- C28 H27 N O3 -","- C112 H108 N4 O12 -","4","1","","Ariyarathna, Yamuna; Tunge, Jon A.","Decarboxylative allylations of ester enolate equivalents.","Organic & biomolecular chemistry","2014","12","42","8386","8389","10.1039/c4ob01752h","","","1.54178","CuKα","","0.0765","0.0579","","","0.1421","0.1542","","","","","","1.057","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154086","8.2975","0.0016","11.26","0.002","21.17","0.004","90","","90","","90","","1977.9","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 F N2 O2 -","- C25 H23 F N2 O2 -","- C100 H92 F4 N8 O8 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.0508","0.0407","","","0.0787","0.0819","","","","","","1.004","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154087","9.38","0.007","16.703","0.012","16.766","0.012","90","","90","","90","","2627","3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl2 F N3 Ni O3 -","- C28 H26 Cl2 F N3 Ni O3 -","- C112 H104 Cl8 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1947","0.0879","","","0.1596","0.2024","","","","","","0.868","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154088","9.1183","0.0019","14.255","0.003","23.374","0.005","90","","90","","90","","3038.2","1.1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl4 F N3 Ni O3 -","- C28 H26 F N3 Ni O3 -","- C112 H104 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1159","0.0716","","","0.1515","0.1645","","","","","","0.869","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154090","9.165","0.01","13.957","0.014","23.73","0.03","90","","90","","90","","3035","6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 F N3 Ni O3 -","- C35 H38 F N3 Ni O3 -","- C140 H152 F4 N12 Ni4 O12 -","4","1","","Aillard, Boris; Robertson, Naomi S.; Baldwin, Adam R.; Robins, Siobhan; Jamieson, Andrew G.","Robust asymmetric synthesis of unnatural alkenyl amino acids for conformationally constrained α-helix peptides.","Organic & biomolecular chemistry","2014","12","43","8775","8782","10.1039/c4ob01832j","","","0.71073","MoKα","","0.1468","0.0841","","","0.1441","0.1662","","","","","","0.871","","","","has coordinates,has disorder","180326","2020-10-21","18:00:00",""
"7154092","11.4718","0.0005","12.9514","0.0005","15.8446","0.0008","90","","90","","90","","2354.13","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0408","0.0353","","","0.0824","0.0873","","","","","","1.062","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154093","10.4301","0.0003","11.8072","0.0003","18.744","0.0005","90","","90","","90","","2308.33","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 N O6 -","- C26 H38 O6 -","- C104 H152 O24 -","4","1","","Zhang, Rong-Rong; Tian, Hai-Yan; Tan, Ya-Fang; Chung, Tse-Yu; Sun, Xiao-Hui; Xia, Xue; Ye, Wen-Cai; Middleton, David A.; Fedosova, Natalya; Esmann, Mikael; Tzen, Jason T. C.; Jiang, Ren-Wang","Structures, chemotaxonomic significance, cytotoxic and Na(+),K(+)-ATPase inhibitory activities of new cardenolides from Asclepias curassavica.","Organic & biomolecular chemistry","2014","12","44","8919","8929","10.1039/c4ob01545b","","","1.54178","CuKα","","0.0328","0.0315","","","0.0798","0.081","","","","","","1.065","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154109","7.3279","0.0009","14.173","0.0017","22.626","0.003","90","","90","","90","","2349.9","0.5","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-1-(6-chloro-2,2-dioxido-3,4-dihydrobenzo[e][1,2,3]oxathiazin-4-yl)propan-2-one","","- C10 H10 Cl N O4 S -","- C10 H10 Cl N O4 S -","- C80 H80 Cl8 N8 O32 S8 -","8","2","","Wang, You-Qing; Cui, Xiao-Yu; Ren, Yuan-Yuan; Zhang, Yongna","A highly enantioselective and regioselective organocatalytic direct Mannich reaction of methyl alkyl ketones with cyclic imines benzo[e][1,2,3]oxathiazine 2,2-dioxides.","Organic & biomolecular chemistry","2014","12","45","9101","9104","10.1039/c4ob01902d","","","0.71073","MoKα","","0.0898","0.0463","","","0.0896","0.1048","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154110","6.687","0.002","19.034","0.007","35.511","0.012","90","","90","","90","","4520","3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C192 H256 O48 -","16","4","","Shing, Tony K. M.; Wong, Anthony W. H.; Li, Huiyan; Liu, Z. F.; Chan, Paul K. S.","Conformationally locked bicyclo[4.3.0]nonane carbanucleosides: synthesis and bio-evaluation.","Organic & biomolecular chemistry","2014","12","46","9439","","10.1039/c4ob01763c","","","0.71073","MoKα","","0.1291","0.0483","","","0.1059","0.1449","","","","","","1.019","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154111","8.5282","0.0009","10.7576","0.0011","41.024","0.004","90","","90","","90","","3763.7","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19.5 N5 O3.5 -","- C14 H18.5 N5 O3.5 -","- C112 H148 N40 O28 -","8","2","","Shing, Tony K. M.; Wong, Anthony W. H.; Li, Huiyan; Liu, Z. F.; Chan, Paul K. S.","Conformationally locked bicyclo[4.3.0]nonane carbanucleosides: synthesis and bio-evaluation.","Organic & biomolecular chemistry","2014","12","46","9439","","10.1039/c4ob01763c","","","0.71073","MoKα","","0.192","0.1647","","","0.3716","0.3918","","","","","","1.732","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154128","12.2096","0.0009","13.7443","0.001","18.0044","0.0014","90","","90","","90","","3021.4","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","anti-HH Photodimer of (R)-N-(1-phenylethyl)-2-chromonecarboxamide","","- C36 H30 N2 O6 -","- C36 H30 N2 O6 -","- C144 H120 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0604","0.0469","","","0.115","0.1227","","","","","","1.017","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154129","9.7337","0.001","13.9495","0.0014","22.104","0.002","90","","90","","90","","3001.3","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (R)-N-(1-phenylethyl)-2-chromonecarboxamide","","- C36 H30 N2 O6 -","- C36 H30 N2 O6 -","- C144 H120 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0587","0.0424","","","0.0944","0.1111","","","","","","1.005","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154130","7.704","0.018","14.23","0.03","26.5","0.06","90","","90","","90","","2905","11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (R)-N-(1-t-butylethyl)-2-chromonecarboxamide","","- C32 H38 N2 O6 -","- C32 H38 N2 O6 -","- C128 H152 N8 O24 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.1081","0.0629","","","0.1531","0.1907","","","","","","1.006","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154131","8.021","0.003","15.273","0.005","21.484","0.007","90","","90","","90","","2631.9","1.6","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Anti-HH photodimer of (S)-N-(1-methoxycarbonylethyl)-2-chromonecarboxamide","","- C28 H26 N2 O10 -","- C28 H26 N2 O10 -","- C112 H104 N8 O40 -","4","1","","Yagishita, Fumitoshi; Baba, Nozomi; Ueda, Yuki; Katabira, Satoshi; Kasashima, Yoshio; Mino, Takashi; Sakamoto, Masami","Diastereoselective photodimerization reactions of chromone-2-carboxamides to construct a C2-chiral scaffold.","Organic & biomolecular chemistry","2014","12","47","9644","9649","10.1039/c4ob01827c","","","0.71073","MoKα","","0.0761","0.0535","","","0.1372","0.1564","","","","","","0.896","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154133","10.084","0.002","10.408","0.002","26.571","0.006","90","","90","","90","","2788.7","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 Cl N O -","- C32 H36 Cl N O -","- C128 H144 Cl4 N4 O4 -","4","1","","Liu, Yilin; Feng, Xiangqing; Du, Haifeng","Asymmetric synthesis of axially chiral anilides by Pd-catalyzed allylic substitutions with P/olefin ligands.","Organic & biomolecular chemistry","2015","13","1","125","132","10.1039/c4ob01087f","","","0.71073","MoKα","","0.0562","0.0531","","","0.1128","0.1149","","","","","","1.138","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154134","9.779","0.003","10.66","0.004","26.314","0.008","90","","90","","90","","2743.1","1.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4ge","","- C30 H40 Cl N O -","- C30 H40 Cl N O -","- C120 H160 Cl4 N4 O4 -","4","1","","Liu, Yilin; Feng, Xiangqing; Du, Haifeng","Asymmetric synthesis of axially chiral anilides by Pd-catalyzed allylic substitutions with P/olefin ligands.","Organic & biomolecular chemistry","2015","13","1","125","132","10.1039/c4ob01087f","","","0.71073","MoKα","","0.0445","0.0424","","","0.098","0.0991","","","","","","1.126","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154144","11.012","0.002","13.289","0.003","18.958","0.004","90","","90","","90","","2774.3","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N O5 -","- C33 H33 N O5 -","- C132 H132 N4 O20 -","4","1","","Zanato, Chiara; Watson, Sonia; Bewick, Guy S.; Harrison, William T. A.; Zanda, Matteo","Synthesis and biological evaluation of (-)-kainic acid analogues as phospholipase D-coupled metabotropic glutamate receptor ligands.","Organic & biomolecular chemistry","2014","12","47","9638","9643","10.1039/c4ob02002b","","","1.54187","CuKα","","0.0257","0.0251","","","0.0638","0.0644","","","","","","1.048","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154154","5.8926","0.0018","18.289","0.002","22.043","","90","","90","","90","","2375.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O5 P -","- C24 H33 N O5 P -","- C96 H132 N4 O20 P4 -","4","1","","Sun, Yong-Ming; Xin, Nana; Xu, Zhong-Yuan; Liu, Li-Juan; Meng, Fan-Jie; Zhang, He; Fu, Bao-Ci; Liang, Qiu-Ju; Zheng, Hong-Xing; Sun, Li-Jun; Zhao, Chang-Qiu; Han, Li-Biao","Addition of optically pure H-phosphinate to ketones: selectivity, stereochemistry and mechanism.","Organic & biomolecular chemistry","2014","12","46","9457","","10.1039/c4ob01574f","","","0.71073","MoKα","","0.1158","0.0614","","","0.1032","0.1242","","","","","","1.035","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154158","6.5036","0.0006","12.9729","0.0011","17.9702","0.0016","90","","90","","90","","1516.2","0.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl2 N5 -","- C15 H11 Cl2 N5 -","- C60 H44 Cl8 N20 -","4","1","","Dai, Zhi-Cheng; Chen, Yong-Fei; Zhang, Mao; Li, Sheng-Kun; Yang, Ting-Ting; Shen, Li; Wang, Jian-Xin; Qian, Shao-Song; Zhu, Hai-Liang; Ye, Yong-Hao","Synthesis and antifungal activity of 1,2,3-triazole phenylhydrazone derivatives.","Organic & biomolecular chemistry","2015","13","2","477","486","10.1039/c4ob01758g","","","0.71073","MoKα","","0.0424","0.034","","","0.0811","0.0847","","","","","","0.983","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154162","7.1928","0.0003","13.3215","0.0006","32.7007","0.0016","90","","90","","90","","3133.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Z. Fan","","- C39 H26 Cl2 N2 O -","- C39 H26 Cl2 N2 O -","- C156 H104 Cl8 N8 O4 -","4","1","","Li, Wei; Fan, Zhoulong; Geng, Kaijun; Xu, Youjun; Zhang, Ao","Late-stage diversification of biologically active pyridazinones via a direct C-H functionalization strategy.","Organic & biomolecular chemistry","2015","13","2","539","548","10.1039/c4ob02061h","","","0.71073","MoKα","","0.0596","0.0418","","","0.1051","0.1151","","","","","","1.023","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154180","5.6153","0.0001","14.7482","0.0003","16.9257","0.0004","90","","90","","90","","1401.71","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S)-(-)-4,5-Dihydroxy-3-[(phenylhydrazyl)methyl]cyclopent-2-enone acetonide","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Łukasik, Beata; Mikołajczyk, Marian; Bujacz, Grzegorz; Żurawiński, Remigiusz","Synthesis and the absolute configuration of both enantiomers of 4,5-dihydroxy-3-(formyl)cyclopent-2-enone acetonide as a new chiral building block for prostanoid synthesis.","Organic & biomolecular chemistry","2015","13","3","807","816","10.1039/c4ob01535e","","","1.5418","CuKα","","0.0615","0.0566","","","0.1588","0.1745","","","","","","1.13","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154183","4.9114","0.0004","9.9314","0.0007","36.687","0.003","90","","90","","90","","1789.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Benzoyl-2-(phenylamino)-9<i>H</i>-furo[3,2-<i>b</i>]chromen-9-one","","- C24 H15 N O4 -","- C24 H15 N O4 -","- C96 H60 N4 O16 -","4","1","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0937","0.048","","","0.0925","0.1105","","","","","","1.01","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154190","5.7297","0.0003","16.224","0.0009","17.5243","0.0009","90","","90","","90","","1629.04","0.15","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N4 O5 S -","- C14 H18 N4 O5 S -","- C56 H72 N16 O20 S4 -","4","1","","Denoël, Thibaut; Zervosen, Astrid; Lemaire, Christian; Joris, Bernard; Hervé, Mireille; Blanot, Didier; Zaragoza, Guillermo; Luxen, André","Enantioselective synthesis of α-benzylated lanthionines and related tripeptides for biological incorporation into E. coli peptidoglycan.","Organic & biomolecular chemistry","2014","12","48","9853","9863","10.1039/c4ob01476f","","x-ray","0.7107","MoKα","","0.0762","0.0465","","","0.0949","0.1098","","","","","","0.854","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154192","15.0756","0.0002","15.9328","0.0003","28.2582","0.0006","90","","90","","90","","6787.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[1,3-Bis(1,3,4,6-O-benzyl-2-deoxy‒D-glucopyranoside)imidazol-2-ylidene](chloro)(1,5-cyclooctadiene)rhodium(I)","","- C79 H84 Cl N2 O10 Rh -","- C79 H84 Cl N2 O10 Rh -","- C316 H336 Cl4 N8 O40 Rh4 -","4","1","","Henderson, Alexander S.; Bower, John F.; Galan, M. Carmen","Carbohydrate-based N-heterocyclic carbenes for enantioselective catalysis.","Organic & biomolecular chemistry","2014","12","45","9180","9183","10.1039/c4ob02056a","","","0.71073","MoKα","","0.0462","0.0334","","","0.0611","0.0653","","","","","","1.013","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154196","17.158","0.003","6.001","0.0012","15.681","0.003","90","","90","","90","","1614.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br N O2 -","- C19 H16 Br N O2 -","- C76 H64 Br4 N4 O8 -","4","1","","Guo, Jiajia; Yu, Shouyun","Enantioselective synthesis of benzoindolizidine derivatives using chiral phase-transfer catalytic intramolecular domino aza-Michael addition/alkylation.","Organic & biomolecular chemistry","2015","13","4","1179","1186","10.1039/c4ob02227k","","","0.71073","MoKα","","0.1486","0.0643","","","0.1009","0.1261","","","","","","1.001","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154201","17.1143","0.0004","20.8803","0.0006","26.8416","0.0006","90","","90","","90","","9591.9","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","hw_c_17_2","5","","- C70.15 H81.65 Cl15.44 F1.5 N12 O19 S6 -","- C70.152 H81.152 Cl15.456 F1.5 N12 O19 S6 -","- C280.608 H324.608 Cl61.824 F6 N48 O76 S24 -","4","1","","Wu, Haifan; She, Fengyu; Gao, Wenyang; Prince, Austin; Li, Yaqiong; Wei, Lulu; Mercer, Allison; Wojtas, Lukasz; Ma, Shengqian; Cai, Jianfeng","The synthesis of head-to-tail cyclic sulfono-γ-AApeptides.","Organic & biomolecular chemistry","2015","13","3","672","676","10.1039/c4ob02232g","","","1.54178","CuKα","","0.1073","0.0677","","","0.1595","0.1828","","","","","","1.016","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154210","9.4466","0.0014","12.186","0.0018","18.704","0.003","90","","90","","90","","2153.1","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","","Alcaide, Benito; Almendros, Pedro; Aragoncillo, Cristina; Callejo, Ricardo; Pilar Ruiz, M.; Rosario Torres, M.","Investigation of the Passerini and Ugi reactions in β-lactam aldehydes. Synthetic applications.","Organic & biomolecular chemistry","2015","13","5","1387","1394","10.1039/c4ob02289k","","","0.71073","MoKα","","0.1557","0.0526","","","0.128","0.1747","","","","","","0.994","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154220","9.095","0.004","11.415","0.004","17.22","0.006","90","","90","","90","","1787.8","1.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Cheng, Jin-Tang; Chen, Xiang-Yu; Ye, Song","N-heterocyclic carbene-catalyzed cyclocondensation of 2-aryl carboxylic acids and enones: highly enantioselective synthesis of δ-lactones.","Organic & biomolecular chemistry","2015","13","5","1313","1316","10.1039/c4ob02330g","","","1.54187","CuKα","","0.0392","0.029","","","0.0634","0.074","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154234","7.4058","0.0006","12.3833","0.0012","18.9412","0.0018","90","","90","","90","","1737.1","0.3","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Pichler, Mathias; Novacek, Johanna; Robiette, Raphaël; Poscher, Vanessa; Himmelsbach, Markus; Monkowius, Uwe; Müller, Norbert; Waser, Mario","Asymmetric syntheses of three-membered heterocycles using chiral amide-based ammonium ylides.","Organic & biomolecular chemistry","2015","13","7","2092","2099","10.1039/c4ob02318h","","","0.71073","MoKα","","0.04","0.0352","","","0.0934","0.0978","","","","","","1.043","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154235","7.8797","0.0017","12.465","0.003","25.404","0.004","90","","90","","90","","2495.2","0.9","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Br N2 O4 -","- C25 H29 Br N2 O4 -","- C100 H116 Br4 N8 O16 -","4","1","","Pichler, Mathias; Novacek, Johanna; Robiette, Raphaël; Poscher, Vanessa; Himmelsbach, Markus; Monkowius, Uwe; Müller, Norbert; Waser, Mario","Asymmetric syntheses of three-membered heterocycles using chiral amide-based ammonium ylides.","Organic & biomolecular chemistry","2015","13","7","2092","2099","10.1039/c4ob02318h","","","0.71073","MoKα","","0.0794","0.047","","","0.0948","0.1078","","","","","","0.989","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154237","5.83","0.003","9.556","0.004","31.119","0.014","90","","90","","90","","1733.7","1.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O8 -","- C18 H16 N2 O8 -","- C72 H64 N8 O32 -","4","1","","Jana, Anupam; Mondal, Sujit; Ghosh, Subrata","Studies towards the synthesis of bielschowskysin. Construction of the highly functionalized bicyclo[3.2.0]heptane segment.","Organic & biomolecular chemistry","2015","13","6","1846","1859","10.1039/c4ob02182g","","","0.71073","MoKα","","0.1106","0.0596","","","0.1321","0.1866","","","","","","0.999","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154266","7.2904","0.0003","10.5177","0.0004","31.1288","0.001","90","","90","","90","","2386.9","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","PNP Pincer Pd","PN tBuMePdCl2","","- C17 H31 Cl2 N P2 Pd -","- C17 H31 Cl2.003 N P2 Pd -","- C68 H124 Cl8.012 N4 P8 Pd4 -","4","1","","Yang, Zehua; Xia, Chao; Liu, Delong; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","P-stereogenic PNP pincer-Pd catalyzed intramolecular hydroamination of amino-1,3-dienes.","Organic & biomolecular chemistry","2015","13","9","2694","2702","10.1039/c4ob02402h","","","0.71073","MoKα","","0.0593","0.0531","","","0.1625","0.1701","","","","","","1.143","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154274","6.046","0.006","10.17","0.02","24.25","0.02","90","","90","","90","","1491","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2-ethyl-1-((S)-2-oxo-4-phenyloxazolidin-3-yl)butane-1,3-dione","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Targel, Tom A.; Kumar, Jayprakash N.; Shneider, O. Svetlana; Bar, Sukanta; Fridman, Natalia; Maximenko, Shimon; Szpilman, Alex M.","Oxidative asymmetric umpolung alkylation of Evans' β-ketoimides using dialkylzinc nucleophiles.","Organic & biomolecular chemistry","2015","13","9","2546","2549","10.1039/c4ob02601b","","","0.71073","MoKα","","0.0712","0.0459","","","0.1114","0.1227","","","","","","1.028","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154278","5.5351","0.0006","11.2034","0.0012","21.678","0.002","90","","90","","90","","1344.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 F N2 O6 -","- C12 H13 F N2 O6 -","- C48 H52 F4 N8 O24 -","4","1","","Kwiatkowski, Jacek; Lu, Yixin","Asymmetric Michael addition of α-fluoro-α-nitro esters to nitroolefins: towards synthesis of α-fluoro-α-substituted amino acids.","Organic & biomolecular chemistry","2015","13","8","2350","2359","10.1039/c4ob02486a","","","1.54178","CuKα","","0.0253","0.025","","","0.0655","0.0658","","","","","","1.094","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154289","6.7186","0.0002","15.8096","0.0005","26.5176","0.0007","90","","90","","90","","2816.66","0.14","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 Br N4 O5 S -","- C27 H33 Br N4 O5 S -","- C108 H132 Br4 N16 O20 S4 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.1125","0.0698","","","0.1008","0.1124","","","","","","1.067","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154292","9.5896","0.0002","14.7665","0.0003","14.7848","0.0003","90","","90","","90","","2093.6","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N4 O6 S2 -","- C17 H26 N4 O6 S2 -","- C68 H104 N16 O24 S8 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0363","0.0346","","","0.0895","0.0908","","","","","","1.082","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154294","9.2942","0.001","13.9119","0.0013","15.3096","0.0017","90","","90","","90","","1979.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N3 O4 S -","- C19 H20 Br N3 O4 S -","- C76 H80 Br4 N12 O16 S4 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0868","0.0432","","","0.0801","0.0926","","","","","","0.988","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154321","8.079","0.002","11.113","0.003","18.417","0.005","90","","90","","90","","1653.5","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br N4 O4 S -","- C14 H15 Br N4 O4 S -","- C56 H60 Br4 N16 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.024","0.0235","","","0.0567","0.0569","","","","","","1.091","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154326","5.6597","0.0012","15.69","0.003","24.567","0.005","90","","90","","90","","2181.6","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O5 S2 -","- C20 H24 Br N O5 S2 -","- C80 H96 Br4 N4 O20 S8 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0546","0.0474","","","0.078","0.0809","","","","","","1.104","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154328","7.963","0.002","11.336","0.003","20.402","0.005","90","","90","","90","","1841.7","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O4 S -","- C19 H18 Br N O4 S -","- C76 H72 Br4 N4 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0326","0.0308","","","0.0611","0.062","","","","","","1.123","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154334","11.7456","0.0002","13.5528","0.0003","13.0646","0.0009","90","","90","","90","","2079.7","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 Br N3 O -","- C26 H18 Br N3 O -","- C104 H72 Br4 N12 O4 -","4","1","","Fang, Fang; Hua, Genghong; Shi, Feng; Li, Pengfei","Organocatalytic enantioselective Friedel-Crafts reaction: an efficient access to chiral isoindolo-β-carboline derivatives.","Organic & biomolecular chemistry","2015","13","15","4395","4398","10.1039/c5ob00175g","","","1.54187","CuKα","","0.0421","0.0362","","","0.0882","0.0967","","","","","","1.125","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154353","10.5513","0.0006","13.4479","0.0007","21.737","0.0012","90","","90","","90","","3084.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,3R,4R,4'S,5'S)-tert-butyl 4',5'-diphenyl-3-(phenylsulfonyl)-3,4-dihydro-1H-spiro[1,4-epiminonaphthalene-2,2'-[1,3]dioxolane]-9-carboxylate","","- C35 H33 N O6 S -","- C35 H33 N O6 S -","- C140 H132 N4 O24 S4 -","4","1","","Pandey, Ganesh; Varkhedkar, Rajesh; Tiwari, Divya","Efficient access to enantiopure 1,3-disubstituted isoindolines from selective catalytic fragmentation of an original desymmetrized rigid overbred template.","Organic & biomolecular chemistry","2015","13","15","4438","4448","10.1039/c5ob00229j","","","0.71073","MoKα","","0.0743","0.0485","","","0.083","0.0916","","","","","","1.035","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154356","15.5903","0.0004","18.0794","0.0005","25.8875","0.0008","90","","90","","90","","7296.7","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MACROCYCLE STRUCTURE 26","","","- C69 H74 N12 O7 -","- C69 H74 N12 O7 -","- C276 H296 N48 O28 -","4","1","","Chavez-Acevedo, Lizbeth; Miranda, Luis D.","Synthesis of novel tryptamine-based macrocycles using an Ugi 4-CR/microwave assisted click-cycloaddition reaction protocol.","Organic & biomolecular chemistry","2015","13","15","4408","4412","10.1039/c5ob00067j","","","0.71073","MoKα","","0.1778","0.0757","","","0.1597","0.2051","","","","","","0.964","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154373","8.1768","0.00015","9.01871","0.00016","14.2224","0.001","90","","90","","90","","1048.82","0.08","103","","103","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Fan, Lulu; Takizawa, Shinobu; Takeuchi, Yoshiki; Takenaka, Kazuhiro; Sasai, Hiroaki","Pd-catalyzed enantioselective intramolecular α-arylation of α-substituted cyclic ketones: facile synthesis of functionalized chiral spirobicycles.","Organic & biomolecular chemistry","2015","13","17","4837","4840","10.1039/c5ob00382b","","","1.54187","CuKα","","","0.0357","","","","0.119","","","","","","0.991","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154376","9.3617","0.0002","13.1822","0.0002","14.7459","0.0003","90","","90","","90","","1819.76","0.06","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br N O5 S -","- C18 H17 Br N O5 S -","- C72 H68 Br4 N4 O20 S4 -","4","1","","Takechi, Ryosuke; Nishimura, Takahiro","Rhodium-catalyzed asymmetric addition of arylboronic acids to cyclic N-sulfonyl ketimines towards the synthesis of α,α-diaryl-α-amino acid derivatives.","Organic & biomolecular chemistry","2015","13","17","4918","4924","10.1039/c5ob00431d","","","1.54187","CuKα","","0.0383","0.0367","","","0.0906","0.0918","","","","","","1.077","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154392","9.1967","0.0005","10.3931","0.0007","19.4118","0.001","90","","90","","90","","1855.42","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Shashank, Adluri B.; Ramachary, Dhevalapally B.","Organocatalytic diastereoselective synthesis of chiral decalines through the domino Claisen-Schmidt/Henry reaction.","Organic & biomolecular chemistry","2015","13","18","5110","5114","10.1039/c5ob00562k","","","1.54184","CuKα","","0.0679","0.0608","","","0.1705","0.1803","","","","","","1.059","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154394","7.9598","0.0003","9.8111","0.0003","17.7241","0.0006","90","","90","","90","","1384.15","0.08","150.15","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((2R,3S,4R,5R,6S)-3,4-Dihydroxy-6-methoxy-5-(methylsulfonamido) tetrahydro-2H-pyran-2-yl)methyl sulfamate","","- C8 H18 N2 O9 S2 -","- C8 H18 N2 O9 S2 -","- C32 H72 N8 O36 S8 -","4","1","","Miller, Duncan C.; Carbain, Benoit; Beale, Gary S.; Alhasan, Sari F.; Reeves, Helen L.; Baisch, Ulrich; Newell, David R.; Golding, Bernard T.; Griffin, Roger J.","Regioselective sulfamoylation at low temperature enables concise syntheses of putative small molecule inhibitors of sulfatases.","Organic & biomolecular chemistry","2015","13","18","5279","5284","10.1039/c5ob00211g","","x-ray","0.71073","MoKα","","0.0277","0.026","","","0.0647","0.0667","","","","","","1.052","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154405","7.5714","0.001","15.502","0.002","20.241","0.003","90","","90","","90","","2375.7","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Cl N2 O6 -","- C25 H25 Cl N2 O6 -","- C100 H100 Cl4 N8 O24 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.0873","0.0458","","","0.0931","0.106","","","","","","1.022","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154407","18.95","0.007","13.964","0.006","11.122","0.005","90","","90","","90","","2943","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 N2 O7 S -","- C33 H32 N2 O7 S -","- C132 H128 N8 O28 S4 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1429","0.0623","","","0.1239","0.1563","","","","","","0.97","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154408","10.504","0.002","16.482","0.003","16.712","0.003","90","","90","","90","","2893.3","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Cl N2 O7 S -","- C30 H33 Cl N2 O7 S -","- C120 H132 Cl4 N8 O28 S4 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1526","0.0726","","","0.1519","0.1832","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154418","8.7578","0.0004","10.8532","0.0006","18.2457","0.0009","90","","90","","90","","1734.26","0.15","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 F4 O2 -","- C19 H16 F4 O2 -","- C76 H64 F16 O8 -","4","1","","Wang, Jingjing; Kong, Wei-Guang; Li, Feng; Liu, Jie; Shen, Qin; Liu, Lantao; Zhao, Wen-Xian","Silver salts and DBU cooperatively catalyzed nucleophilic addition/cyclization of propargylic alcohols with trifluoromethyl ketones.","Organic & biomolecular chemistry","2015","13","19","5399","5406","10.1039/c5ob00438a","","","1.54184","CuKα","","0.0438","0.039","","","0.097","0.1014","","","","","","1.038","","","","has coordinates","138855","2020-10-21","18:00:00",""
"7154425","8.1008","0.0019","9.745","0.002","18.18","0.004","90","","90","","90","","1435.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","de la Fuente, Alex; Mena-Barragán, Teresa; Farrar-Tobar, Ronald A; Verdaguer, Xavier; García Fernández, José M; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective synthesis of 2-acetamido-1,2-dideoxynojirimycin (DNJNAc) and ureido-DNJNAc derivatives as new hexosaminidase inhibitors.","Organic & biomolecular chemistry","2015","13","23","6500","6510","10.1039/c5ob00507h","","","0.71073","MoKα","","0.0555","0.0463","","","0.1326","0.142","","","","","","0.973","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154426","9.6858","0.0009","9.9838","0.0006","15.1087","0.001","90","","90","","90","","1461.03","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","de la Fuente, Alex; Mena-Barragán, Teresa; Farrar-Tobar, Ronald A; Verdaguer, Xavier; García Fernández, José M; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective synthesis of 2-acetamido-1,2-dideoxynojirimycin (DNJNAc) and ureido-DNJNAc derivatives as new hexosaminidase inhibitors.","Organic & biomolecular chemistry","2015","13","23","6500","6510","10.1039/c5ob00507h","","","0.71073","MoKα","","0.0617","0.0576","","","0.1555","0.1614","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154427","5.8099","0.001","21.073","0.004","32.234","0.006","90","","90","","90","","3946.5","1.2","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Cl O3 -","- C25 H17 Cl O3 -","- C200 H136 Cl8 O24 -","8","2","","Chen, Kun-Quan; Zhang, Han-Ming; Wang, Dong-Ling; Sun, De-Qun; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of indenopyrones.","Organic & biomolecular chemistry","2015","13","24","6694","6697","10.1039/c5ob00859j","","","0.71073","MoKα","","0.0508","0.0477","","","0.0979","0.1","","","","","","1.086","","","","has coordinates","143747","2020-10-21","18:00:00",""
"7154443","9.181","0.004","9.395","0.004","27.281","0.011","90","","90","","90","","2353.1","1.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br2 N2 O3 S -","- C24 H24 Br2 N2 O3 S -","- C96 H96 Br8 N8 O12 S4 -","4","1","","Gui, Yong-Yuan; Yang, Jian; Qi, Liang-Wen; Wang, Xiao; Tian, Fang; Li, Xiao-Nian; Peng, Lin; Wang, Li-Xin","A cinchona alkaloid catalyzed enantioselective sulfa-Michael/aldol cascade reaction of isoindigos: construction of chiral bispirooxindole tetrahydrothiophenes with vicinal quaternary spirocenters.","Organic & biomolecular chemistry","2015","13","22","6371","6379","10.1039/c5ob00774g","","","0.71073","MoKα","","0.1828","0.1472","","","0.3251","0.346","","","","","","1.094","","","","has coordinates","138824","2020-10-21","18:00:00",""
"7154446","5.9311","0.0003","10.5722","0.0004","13.4606","0.0006","90","","90","","90","","844.04","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-dichloro-1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one","","- C7 H7 Cl2 N O -","- C7 H7 Cl2 N O -","- C28 H28 Cl8 N4 O4 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0231","0.0222","","","0.0559","0.0566","","","","","","1.098","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154453","8.4445","0.0004","15.4187","0.0007","17.2259","0.0008","90","","90","","90","","2242.87","0.18","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R*,3R*)-2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)-1-(p-tolyl)propyl 4-nitrobenzoate","","- C23 H18 Cl2 N2 O7 -","- C23 H18 Cl2 N2 O7 -","- C92 H72 Cl8 N8 O28 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0492","0.04","","","0.0819","0.0879","","","","","","1.048","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154471","7.052","0.002","19.594","0.007","19.706","0.007","90","","90","","90","","2722.9","1.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mx3217","","- C15 H10 Cl N3 O2 -","- C15 H10 Cl N3 O2 -","- C120 H80 Cl8 N24 O16 -","8","2","","Li, Gen; Feng, Xiangqing; Du, Haifeng","Palladium-catalyzed asymmetric allylic amination of racemic butadiene monoxide with isatin derivatives.","Organic & biomolecular chemistry","2015","13","20","5826","5830","10.1039/c5ob00663e","","","0.71073","MoKα","","0.0917","0.0766","","","0.1306","0.14","","","","","","1.135","","","","has coordinates","138839","2020-10-21","18:00:00",""
"7154492","5.947","0.003","7.118","0.003","32.87","0.011","90","","90","","90","","1391.4","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C60 H52 Br4 N8 O8 -","4","1","","Maity, Rajendra; Pan, Subhas Chandra","Organocatalytic asymmetric intramolecular aza-Henry reaction: facile synthesis of trans-2,3-disubstituted tetrahydroquinolines.","Organic & biomolecular chemistry","2015","13","24","6825","6831","10.1039/c5ob00795j","","","0.71073","MoKα","","0.0801","0.0385","","","0.0949","0.1243","","","","","","1.024","","","","has coordinates","143749","2020-10-21","18:00:00",""
"7154493","5.14008","0.00006","9.60877","0.00009","18.4697","0.0002","90","","90","","90","","912.216","0.017","120.01","0.1","120.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 N O6 S -","- C6 H13 N O6 S -","- C24 H52 N4 O24 S4 -","4","1","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","x-ray","0.71073","MoKα","","0.0293","0.0266","","","0.0799","0.0819","","","","","","1.172","","","","has coordinates","138852","2020-10-21","18:00:00",""
"7154502","7.9192","0.0002","14.304","0.0009","14.6004","0.0009","90","","90","","90","","1653.88","0.15","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Quick, Matthias P.; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Asymmetric synthesis of 3-substituted tetrahydro-2-benzazepines.","Organic & biomolecular chemistry","2015","13","26","7265","7281","10.1039/c5ob00731c","","","1.54178","CuKα","","0.0431","0.0399","","","0.0998","0.1029","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154516","6.59","0.001","14.579","0.001","25.484","0.001","90","","90","","90","","2448.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R)-(9H-fluoren-9-yl)methyl 4-((R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-isopropyl-3-oxo-3,4-dihydropyrazine-1-(2H)-carboxylate","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C104 H112 N8 O24 -","4","1","","Lenci, Elena; Innocenti, Riccardo; Menchi, Gloria; Faggi, Cristina; Trabocchi, Andrea","Two-step one-pot synthesis of dihydropyrazinones as Xaa-Ser dipeptide isosteres through morpholine acetal rearrangement.","Organic & biomolecular chemistry","2015","13","25","7013","7019","10.1039/c5ob00783f","","","1.54178","CuKα","","0.1352","0.108","","","0.2858","0.3385","","","","","","1.176","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154518","10.476","0.0001","8.883","0.0001","18.154","0.0002","90","","90","","90","","1689.38","0.03","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O5 S -","- C17 H14 Br N O5 S -","- C68 H56 Br4 N4 O20 S4 -","4","1","","De Munck, Lode; Monleón, Alicia; Vila, Carlos; Muñoz, M Carmen; Pedro, José R","Enantioselective alkynylation of benzo[e][1,2,3]-oxathiazine 2,2-dioxides catalysed by (R)-VAPOL-Zn complexes: synthesis of chiral propargylic cyclic sulfamidates.","Organic & biomolecular chemistry","2015","13","27","7393","7396","10.1039/c5ob01012h","","","0.71073","MoKα","","0.0404","0.0285","","","0.0799","0.1","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154522","5.7917","0.0003","15.4852","0.0007","18.6976","0.0009","90","","90","","90","","1676.91","0.14","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Jimenez-Aleman, Guillermo H; Machado, Ricardo A. R.; Görls, Helmar; Baldwin, Ian T.; Boland, Wilhelm","Synthesis, structural characterization and biological activity of two diastereomeric JA-Ile macrolactones.","Organic & biomolecular chemistry","2015","13","21","5885","5893","10.1039/c5ob00362h","","","0.71073","MoKα","","0.0309","0.0296","","","0.0749","0.0759","","","","","","1.031","","","","has coordinates","138462","2020-10-21","18:00:00",""
"7154529","7.77818","0.00014","13.158","0.0003","16.9759","0.0003","90","","90","","90","","1737.4","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bypro179a","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","1","","Ishida, Hiroaki; Kimura, Shinya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","The first asymmetric total synthesis of lycoposerramine-R.","Organic & biomolecular chemistry","2015","13","28","7762","7771","10.1039/c5ob00827a","","","1.54187","CuKα","","","0.034","","","","0.0671","","","","","","1.084","","","","has coordinates","143759","2020-10-21","18:00:00",""
"7154530","7.63463","0.00014","11.4385","0.0002","19.919","0.0004","90","","90","","90","","1739.5","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","179","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","1","","Ishida, Hiroaki; Kimura, Shinya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","The first asymmetric total synthesis of lycoposerramine-R.","Organic & biomolecular chemistry","2015","13","28","7762","7771","10.1039/c5ob00827a","","","1.54187","CuKα","","","0.0455","","","","0.0952","","","","","","1.008","","","","has coordinates","143759","2020-10-21","18:00:00",""
"7154545","8.7342","0.0002","12.9336","0.0003","27.4037","0.0005","90","","90","","90","","3095.65","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AntValA2DNS","","","- C34 H38 N4 O3 S -","- C34 H38 N4 O3 S -","- C136 H152 N16 O12 S4 -","4","1","","Saura, A. Vanessa; Marín, María J; Burguete, M. Isabel; Russell, David A.; Galindo, Francisco; Luis, Santiago V.","The synthesis of new fluorescent bichromophoric compounds as ratiometric pH probes for intracellular measurements.","Organic & biomolecular chemistry","2015","13","28","7736","7749","10.1039/c5ob00704f","","x-ray","1.54184","CuKα","","0.0321","0.0312","","","0.0838","0.0847","","","","","","1.039","","","","has coordinates","143762","2020-10-21","18:00:00",""
"7154556","9.3233","0.0006","10.2871","0.0008","26.846","0.002","90","","90","","90","","2574.8","0.3","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 O5 -","- C29 H34 O5 -","- C116 H136 O20 -","4","1","","Salamone, Stéphane; Clement, Lise L.; Viuff, Agnete H.; Andersen, Ole Juul; Jensen, Frank; Jensen, Henrik H.","Synthesis and evaluation of galacto-noeurostegine and its 2-deoxy analogue as glycosidase inhibitors.","Organic & biomolecular chemistry","2015","13","29","7979","7992","10.1039/c5ob01062d","","x-ray","0.71073","MoKα","","0.0955","0.0492","","","0.1052","0.1273","","","","","","1.028","","","","has coordinates","153280","2020-10-21","18:00:00",""
"7154557","7.4496","0.0001","11.1966","0.0001","26.6185","0.0002","90","","90","","90","","2220.25","0.04","213","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5R,6S)-4-((tert-Butyldimethylsilyl)oxy)-6-((S,E)-4-iodobut-3-en-2-yl)-3-methoxy-5-methyltetrahydro-2H-pyran-2-one","","- C17 H16 I O4 Si -","- C17 H16 I O4 Si -","- C68 H64 I4 O16 Si4 -","4","1","","Lu, Hai-Hua; Hinkelmann, Bettina; Tautz, Thomas; Li, Jun; Sasse, Florenz; Franke, Raimo; Kalesse, Markus","Paleo-soraphens: chemical total syntheses and biological studies.","Organic & biomolecular chemistry","2015","13","29","8029","8036","10.1039/c5ob01249j","","","1.54187","CuKα","","0.0636","0.0524","","","0.1471","0.154","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154558","7.73264","0.00017","8.92045","0.00017","20.1079","0.0004","90","","90","","90","","1387.02","0.05","173","0.3","173","0.3","","","","","","","Curcuma phaeocaulis Valeton","3","P 21 21 21","P 2ac 2ab","19","(1S, 4S, 6R, 10S)-1-hydroxysalvial-7(11)-ene-5,8-dione","phasalvione","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Ma, Jiang-Hao; Zhao, Feng; Wang, Ying; Liu, Yue; Gao, Su-Yu; Ding, Li-Qin; Chen, Li-Xia; Qiu, Feng","Natural nitric oxide (NO) inhibitors from the rhizomes of Curcuma phaeocaulis.","Organic & biomolecular chemistry","2015","13","30","8349","8358","10.1039/c5ob00964b","","x-ray","1.54184","CuKα","","0.0296","0.029","","","0.0775","0.0781","","","","","","1.046","","","","has coordinates","153262","2020-10-21","18:00:00",""
"7154563","7.0938","0.0003","11.5502","0.0005","18.1965","0.0009","90","","90","","90","","1490.93","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,1,3-Trimethyl-2,3-dihydro-1H-perimidin-1-ium bromide","","","- C14 H21 Br N2 O2 -","- C14 H21 Br N2 O2 -","- C56 H84 Br4 N8 O8 -","4","1","","Ozeryanskii, Valery A.; Gorbacheva, Anastasia Yu; Pozharskii, Alexander F.; Vlasenko, Marina P.; Tereznikov, Alexander Yu; Chernov'yants, Margarita S.","The first proton sponge-based amino acids: synthesis, acid-base properties and some reactivity.","Organic & biomolecular chemistry","2015","13","31","8524","8532","10.1039/c5ob01065a","","","0.71073","MoKα","","0.0275","0.0228","","","0.046","0.0476","","","","","","1.015","","","","has coordinates","153270","2020-10-21","18:00:00",""
"7154602","8.5898","0.0017","10.768","0.002","28.159","0.006","90","","90","","90","","2604.6","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O2 Se -","- C28 H37 N O2 Se -","- C112 H148 N4 O8 Se4 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.044","0.0394","","","0.1064","0.1096","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154603","12.295","0.002","13.5593","0.0019","15.728","0.003","90","","90","","90","","2622","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N O2 Se -","- C26 H41 N O2 Se -","- C104 H164 N4 O8 Se4 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0582","0.0356","","","0.0706","0.08","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154605","8.8571","0.0008","15.0597","0.0014","15.5921","0.0014","90","","90","","90","","2079.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl N O2 -","- C22 H32 Cl N O2 -","- C88 H128 Cl4 N4 O8 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0268","0.0249","","","0.0633","0.0649","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154610","16.3644","0.0006","15.9689","0.0006","12.8284","0.0005","90","","90","","90","","3352.3","0.2","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 N O9 P S -","- C34 H36 N O9 P S -","- C136 H144 N4 O36 P4 S4 -","4","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71073","MoKα","","0.0741","0.0494","","0.052","0.0512","0.0511","","","","","","1.0721","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154612","11.8008","0.0005","14.3566","0.0008","16.6799","0.0011","90","","90","","90","","2825.9","0.3","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N O8 P S -","- C27 H28 N O8 P S -","- C108 H112 N4 O32 P4 S4 -","4","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71069","MoKα","","0.1498","0.0788","","0.0806","0.0595","0.0536","","","","","","1.1191","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154614","7.621","0.002","13.163","0.004","23.299","0.007","90","","90","","90","","2337.2","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N2 O5 Se Si -","- C17 H28 N2 O5 Se Si -","- C68 H112 N8 O20 Se4 Si4 -","4","1","","Kogami, Masakazu; Koketsu, Mamoru","An efficient method for the synthesis of selenium modified nucleosides: its application in the synthesis of Se-adenosyl-l-selenomethionine (SeAM).","Organic & biomolecular chemistry","2015","13","36","9405","9417","10.1039/c5ob01316j","","","0.71075","MoKα","","0.1599","0.1062","","","0.2754","0.3156","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154623","6.4981","0.0019","11.985","0.004","23.813","0.007","90","","90","","90","","1854.5","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","sa3912","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C84 H80 Br4 N4 O12 -","4","1","","Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu","Organic base-promoted enantioselective electrophilic cyanation of β-keto esters by using chiral phase-transfer catalysts.","Organic & biomolecular chemistry","2015","13","33","8812","8816","10.1039/c5ob01301a","","","0.71073","MoKα","","0.0445","0.0407","","","0.0733","0.0747","","","","","","1.131","","","","has coordinates","155246","2020-10-21","18:00:00",""
"7154642","6.3711","0.0001","12.1422","0.0003","27.2294","0.0007","90","","90","","90","","2106.44","0.08","100","2","100.15","","","","101.3","","","","synthetic","6","P 21 21 21","P 2ac 2ab","19","thymidine-LNA-3'-O-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane)","thymin-1-yl-2'-O,4'-C-methylene-β-D-ribofuranosyl-3'-O-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane)","","- C18 H25 N2 O7 P S2 -","- C18 H25 N2 O7 P S2 -","- C72 H100 N8 O28 P4 S8 -","4","1","","Jastrzębska, Katarzyna; Maciaszek, Anna; Dolot, Rafał; Bujacz, Grzegorz; Guga, Piotr","Thermal stability and conformation of antiparallel duplexes formed by P-stereodefined phosphorothioate DNA/LNA chimeric oligomers with DNA and RNA matrices.","Organic & biomolecular chemistry","2015","13","39","10032","10040","10.1039/c5ob01474c","","x-ray","1.54184","CuKα","","0.036","0.031","","","0.0726","0.075","","","","","","1.032","","","","has coordinates","162163","2020-10-21","18:00:00",""
"7154700","7.467","0.0013","13.272","0.002","16.898","0.003","90","","90","","90","","1674.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O2 S -","- C20 H16 O2 S -","- C80 H64 O8 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0363","0.0318","","","0.0852","0.0889","","","","","","1.045","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154725","5.2823","0.0003","10.763","0.0007","27.6349","0.0017","90","","90","","90","","1571.14","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3R)-1-phenyl-3-(phenylamino)hexane-1,2-diol","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Luo, Lan; Yamamoto, Hisashi","Synthesis of virtually enantiopure aminodiols with three adjacent stereogenic centers by epoxidation and ring-opening.","Organic & biomolecular chemistry","2015","13","42","10466","10470","10.1039/c5ob01808k","","","1.54178","CuKα","","0.0661","0.051","","","0.1063","0.1134","","","","","","1.087","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154730","7.0673","0.0014","14.647","0.003","15.48","0.003","90","","90","","90","","1602.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","1","","Disetti, Paolo; Moccia, Maria; Salazar Illera, Diana; Suresh, Surisetti; Adamo, Mauro F. A.","Catalytic enantioselective addition of isocyanoacetate to 3-methyl-4-nitro-5-styrylisoxazoles under phase transfer catalysis conditions.","Organic & biomolecular chemistry","2015","13","43","10609","10612","10.1039/c5ob01880c","","","0.71073","MoKα","","0.0338","0.0333","","","0.0928","0.0932","","","","","","1.05","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154735","9.123","0.0018","14.399","0.003","15.26","0.003","90","","90","","90","","2004.6","0.7","297","","297","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O9 -","- C17 H23 N O9 -","- C68 H92 N4 O36 -","4","1","","Thomas, Baptiste; Pifferi, Carlo; Daskhan, Gour Chand; Fiore, Michele; Berthet, Nathalie; Renaudet, Olivier","Divergent and convergent synthesis of GalNAc-conjugated dendrimers using dual orthogonal ligations.","Organic & biomolecular chemistry","2015","13","47","11529","11538","10.1039/c5ob01870f","","x-ray","1.54184","Cukα","","0.0789","0.0456","","","0.1032","0.116","","","","","","1.085","","","","has coordinates","171352","2020-10-21","18:00:00",""
"7154739","9.398","0.002","9.776","0.002","24.059","0.006","90","","90","","90","","2210.4","0.9","296","2","296","2","","","","","","","synthatic","6","P 21 21 21","P 2ac 2ab","19","3-(2-chlorophenyl)-5-tosyl-3,3a,4,5-tetrahydroisoxazolo [4,3-c] quinoline - 3a- carbonitrile","3-(2-chlorophenyl)-5-tosyl-3,3a,4,5-tetrahydroisoxazolo [4,3-c] quinoline - 3a- carbonitrile","","- C24 H18 Cl N3 O3 S -","- C24 H18 Cl N3 O3 S -","- C96 H72 Cl4 N12 O12 S4 -","4","1","","Bakthadoss, Manickam; Vinayagam, Varathan","A novel protocol for the facile construction of tetrahydroquinoline fused tricyclic frameworks via an intramolecular 1,3-dipolar nitrile oxide cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","39","10007","10014","10.1039/c5ob01060h","","","1.54178","CuKα","","0.09","0.0573","","","0.1529","0.1969","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154754","8.8259","0.0013","14.64","0.002","19.755","0.003","90","","90","","90","","2552.6","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 F3 N O4 S -","- C27 H24 F3 N O4 S -","- C108 H96 F12 N4 O16 S4 -","4","1","","Zhao, Yingying; Wang, Haolong; Li, Xincheng; Wang, Dongping; Xin, Xiaoyi; Wan, Boshun","Selective synthesis of functionalized pyrroles from 3-aza-1,5-enynes.","Organic & biomolecular chemistry","2015","14","2","526","541","10.1039/c5ob01887k","","","0.71073","MoKα","","0.0472","0.0371","","","0.0961","0.102","","","","","","1.027","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7154773","5.206","0.003","14.978","0.009","16.033","0.009","90","","90","","90","","1250.2","1.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C44 H76 N4 O24 -","4","1","","Johnson, Sherida; Tanaka, Fujie","Direct synthesis of C-glycosides from unprotected 2-N-acyl-aldohexoses via aldol condensation-oxa-Michael reactions with unactivated ketones.","Organic & biomolecular chemistry","2016","14","1","259","264","10.1039/c5ob02094h","","","1.54187","CuKα","","0.0825","0.0609","","","0.1401","0.1544","","","","","","1.082","","","","has coordinates","176197","2020-10-21","18:00:00",""
"7154782","14.177","0.002","21.094","0.003","32.557","0.004","90","","90","","90","","9736","2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H102 Cl8 N6 O4 -","- C104 H102 Cl8 N6 O4 -","- C416 H408 Cl32 N24 O16 -","4","1","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54187","CuKα","","0.0614","0.0582","","","0.1704","0.1755","","","","","","1.046","","","","has coordinates","176144","2020-10-21","18:00:00",""
"7154783","15.145","0.0004","21.42","0.0004","25.216","0.0006","90","","90","","90","","8180.2","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C100.5 H92.25 N6.75 O3 -","- C100.5 H92.25 N6.75 O3 -","- C402 H369 N27 O12 -","4","1","","Janiak, Agnieszka; Petryk, Małgorzata; Barbour, Leonard J.; Kwit, Marcin","Readily prepared inclusion forming chiral calixsalens.","Organic & biomolecular chemistry","2015","14","2","669","673","10.1039/c5ob02090e","","","1.54178","CuKα","","0.08","0.0542","","","0.1304","0.145","","","","","","1.034","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154789","5.3073","0.0014","10.169","0.003","26.061","0.007","90","","90","","90","","1406.5","0.7","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 F2 O2 -","- C14 H24 F2 O2 -","- C56 H96 F8 O8 -","4","1","","Corr, Michael J.; Cormanich, Rodrigo A.; von Hahmann, Cortney N.; Bühl, Michael; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine in fragrances: exploring the difluoromethylene (CF2) group as a conformational constraint in macrocyclic musk lactones.","Organic & biomolecular chemistry","2016","14","1","211","219","10.1039/c5ob02023a","","","0.71075","MoKα","","","0.0351","","","","0.0843","","","","","","1.026","","","","has coordinates","176193","2020-10-21","18:00:00",""
"7154800","6.9535","0.0001","8.5937","0.0001","30.8423","0.0005","90","","90","","90","","1843.02","0.05","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)benzene","2,5-Dimethyl-1-[4-(2-methyl-5-phenyl-1H-pyrrol-1-yl)phenyl]-1H-pyrrole","","- C23 H22 N2 -","- C23 H22 N2 -","- C92 H88 N8 -","4","1","","Kim, Byeong Hyo; Bae, Seolhee; Go, Ahra; Lee, Hyunseung; Gong, Cheoloh; Lee, Byung Min","Synthesis of two distinct pyrrole moiety-containing arenes from nitroanilines using Paal-Knorr followed by an indium-mediated reaction.","Organic & biomolecular chemistry","2015","14","1","265","276","10.1039/c5ob02101d","","","0.71073","MoKα","","0.0512","0.0404","","","0.108","0.116","","","","","","1.038","","","","has coordinates","176191","2020-10-21","18:00:00",""
"7154801","6.82581","0.00005","12.0234","0.00007","14.6468","0.00009","90","","90","","90","","1202.06","0.013","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2R,7S,8aS)-1,2,7-trihydroxy-5,5-dimethyloctahydro-1H-indolizin-4-ium chloride","","- C10 H20 Cl N O3 -","- C10 H20 Cl N O3 -","- C40 H80 Cl4 N4 O12 -","4","1","","Malinowski, Maciej; Rowicki, Tomasz; Guzik, Patrycja; Gryszel, Maciej; Łapczyński, Sebastian; Wielechowska, Monika; Czerwińska, Karolina; Madura, Izabela; Sas, Wojciech","[1,4]-sigmatropic rearrangement of chiral nitrones and their utilization in the synthesis of new iminosugars.","Organic & biomolecular chemistry","2015","14","2","470","482","10.1039/c5ob01432h","","x-ray","1.54184","CuKα","","0.022","0.0217","","","0.0578","0.058","","","","","","1.034","","","","has coordinates","176141","2020-10-21","18:00:00",""
"7154802","7.96665","0.00007","10.06647","0.0001","31.833","0.0003","90","","90","","90","","2552.88","0.04","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2-((tert-butyldimethylsilyl)oxy)-1-((4R,5S)-5-((4S,6S)-2',2'-dimethyl-7-oxa-1-azaspiro[bicyclo[2.2.1]heptane-2,5'-[1,3]dioxan]-6-yl)-2,2-dimethyl-1,3-dioxolan-4-yl)ethanol","","- C23 H43 N O7 Si -","- C23 H43 N O7 Si -","- C92 H172 N4 O28 Si4 -","4","1","","Malinowski, Maciej; Rowicki, Tomasz; Guzik, Patrycja; Gryszel, Maciej; Łapczyński, Sebastian; Wielechowska, Monika; Czerwińska, Karolina; Madura, Izabela; Sas, Wojciech","[1,4]-sigmatropic rearrangement of chiral nitrones and their utilization in the synthesis of new iminosugars.","Organic & biomolecular chemistry","2015","14","2","470","482","10.1039/c5ob01432h","","","1.54184","CuKα","","0.0286","0.0278","","","0.0713","0.072","","","","","","1.041","","","","has coordinates","176141","2020-10-21","18:00:00",""
"7154803","7.824","0.0005","13.359","0.0005","20.5454","0.0009","90","","90","","90","","2147.42","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O8 -","- C19 H24 N2 O8 -","- C76 H96 N8 O32 -","4","1","","Suresh Kumar, A.; Prabhakar Reddy, T.; Madhavachary, R.; Ramachary, Dhevalapally B.","Rawal's catalyst as an effective stimulant for the highly asymmetric Michael addition of β-keto esters to functionally rich nitro-olefins.","Organic & biomolecular chemistry","2016","14","24","5494","5499","10.1039/c5ob02178b","","x-ray","1.54184","CuKα","","0.0967","0.0562","","","0.1147","0.1372","","","","","","0.996","","","","has coordinates","183763","2020-10-21","18:00:00",""
"7154815","5.8334","0.0005","10.9763","0.0009","24.922","0.002","90","","90","","90","","1595.7","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","aks_i_282_01","","- C15 H16 N4 O4 S -","- C15 H16 N4 O4 S -","- C60 H64 N16 O16 S4 -","4","1","","Simlandy, Amit K.; Mukherjee, Santanu","Catalytic asymmetric formal γ-allylation of deconjugated butenolides.","Organic & biomolecular chemistry","2016","14","24","5659","5664","10.1039/c5ob02362a","","","0.71073","MoKα","","0.06","0.0448","","","0.0726","0.0754","","","","","","1.081","","","","has coordinates","183757","2020-10-21","18:00:00",""
"7154832","9.768","0.003","10.296","0.003","22.978","0.006","90","","90","","90","","2310.9","1.1","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 F4 N2 O3 -","- C25 H28 F4 N2 O3 -","- C100 H112 F16 N8 O12 -","4","1","","Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David","Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.","Organic & biomolecular chemistry","2016","14","3","1117","1123","10.1039/c5ob02334c","","","1.54187","CuKα","","0.079","0.0684","","","0.1943","0.2044","","","","","","0.831","","","","has coordinates","176162","2020-10-21","18:00:00",""
"7154843","11.71049","0.00013","11.80555","0.00011","52.7036","0.0005","90","","90","","90","","7286.21","0.13","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5e","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C320 H400 N16 O32 -","16","4","","Wu, Shaotong; Yin, Qianqian; Zhao, Liang; Fan, Ningning; Tang, Xiaowan; Zhao, Jianxiong; Sheng, Tao; Guo, Ying; Tian, Chao; Zhang, Zhili; Xu, Weisi; Liu, Zhenming; Jiang, Shibo; Ma, Liying; Liu, Junyi; Wang, Xiaowei","A stereo configuration-activity study of 3-iodo-4-(2-methylcyclohexyloxy)-6-phenethylpyridin-2(2H)-ones as potency inhibitors of HIV-1 variants.","Organic & biomolecular chemistry","2016","14","4","1413","1420","10.1039/c5ob02154e","","","1.54184","CuKα","","0.0451","0.0433","","","0.1111","0.1131","","","","","","1.044","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7154848","10.0374","0.0001","12.6398","0.0001","21.0812","0.0002","90","","90","","90","","2674.59","0.04","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","LM-56","compound 1","","- C28 H38 O11 -","- C28 H38 O11 -","- C112 H152 O44 -","4","1","","An, Fa-Liang; Luo, Jun; Wang, Xiao-Bing; Yang, Ming-Hua; Kong, Ling-Yi","Trichiconlides A and B: two novel limonoids from the fruits of Trichilia connaroides.","Organic & biomolecular chemistry","2016","14","4","1231","1235","10.1039/c5ob02300a","","","1.54184","CuKα","","0.0395","0.0393","","","0.111","0.1114","","","","","","1.078","","","","has coordinates,has disorder","176157","2020-10-21","18:00:00",""
"7154855","9.7918","0.0015","10.8744","0.0017","17.136","0.003","90","","90","","90","","1824.6","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O4 -","- C20 H16 Br N O4 -","- C80 H64 Br4 N4 O16 -","4","1","","Zhu, Ling; Yu, Chenxia; Li, Tuanjie; Wang, Yuhong; Lu, Yinan; Wang, Wenjing; Yao, Changsheng","N-Heterocyclic carbene-catalyzed [4 + 2] cyclization of α,β-unsaturated carboxylic acids bearing γ-H with isatins: an enantioselective synthesis of spirocyclic oxindole-dihydropyranones.","Organic & biomolecular chemistry","2016","14","4","1485","1491","10.1039/c5ob02160j","","","0.71073","MoKα","","0.0347","0.0284","","","0.0742","0.077","","","","","","1.053","","","","has coordinates","176155","2020-10-21","18:00:00",""
"7154856","6.8943","0.0002","11.6898","0.0004","32.2785","0.0011","90","","90","","90","","2601.42","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Suprasterol analog","","- C27 H46 O4 -","- C27 H46 O4 -","- C108 H184 O16 -","4","1","","Kulesza, Urszula; Plum, Lori A.; DeLuca, Hector F.; Mouriño, Antonio; Sicinski, Rafal R.","A new suprasterol by photochemical reaction of 1α,25-dihydroxy-9-methylene-19-norvitamin D3.","Organic & biomolecular chemistry","2016","14","5","1646","1652","10.1039/c5ob01896j","","","0.71073","MoKα","","0.0592","0.043","","","0.0914","0.099","","","","","","1.04","","","","has coordinates","176180","2020-10-21","18:00:00",""
"7154873","15.515","0.004","17.783","0.005","22.102","0.006","90","","90","","90","","6098","3","138","2","138","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[N-(Quinoxaline-2-carbonyl)-D-Ser-L-Ala-N-Me-L-Cys-N-Me-D-Val]2 (Serine-hydroxy)-Dilactone Disulfide","","- C50 H68 N12 O15 S2 -","- C50 H62 N12 O15 S2 -","- C200 H248 N48 O60 S8 -","4","1","","Hattori, Kozo; Koike, Kota; Okuda, Kensuke; Hirayama, Tasuku; Ebihara, Masahiro; Takenaka, Mei; Nagasawa, Hideko","Solution-phase synthesis and biological evaluation of triostin A and its analogues.","Organic & biomolecular chemistry","2016","14","6","2090","2111","10.1039/c5ob02505b","","","0.71075","MoKα","","0.2746","0.1654","","","0.372","0.4402","","","","","","1.098","","","","has coordinates","176167","2020-10-21","18:00:00",""
"7154894","4.7902","0.0001","12.6722","0.0002","16.8843","0.0003","90","","90","","90","","1024.92","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Rast, Slavko; Modec, Barbara; Stephan, Michel; Mohar, Barbara","γ-Sultam-cored N,N-ligands in the ruthenium(ii)-catalyzed asymmetric transfer hydrogenation of aryl ketones.","Organic & biomolecular chemistry","2016","14","6","2112","2120","10.1039/c5ob02352a","","","1.54184","CuKα","","0.044","0.0418","","","0.1174","0.1206","","","","","","1.062","","","","has coordinates","176171","2020-10-21","18:00:00",""
"7154902","5.8608","0.0011","13.688","0.003","27.498","0.005","90","","90","","90","","2206","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-N-(2-(((1-(Naphthalen-2-yl)ethyl)imino)methyl)phenyl)-2-naphthamide","","- C30 H24 N2 O -","- C30 H24 N2 O -","- C120 H96 N8 O4 -","4","1","","De Los Santos, Zeus A.; Ding, Ransheng; Wolf, Christian","Quantitative chirality sensing of amines and amino alcohols via Schiff base formation with a stereodynamic UV/CD probe.","Organic & biomolecular chemistry","2016","14","6","1934","1939","10.1039/c5ob02529j","","x-ray","0.71073","MoKα","","0.1676","0.1288","","","0.2958","0.3111","","","","","","1.075","","","","has coordinates","176174","2020-10-21","18:00:00",""
"7154913","7.1213","0.0003","8.9288","0.0003","29.9909","0.0012","90","","90","","90","","1906.96","0.13","105","","105","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19.35 H24.7 N2 O8 -","- C19.35 H24.7 N2 O8 -","- C77.4 H98.8 N8 O32 -","4","1","","Giacometti, Robert D.; Salinas, Juan C.; Østergaard, Michael E; Swayze, Eric E.; Seth, Punit P.; Hanessian, Stephen","Design, synthesis, and duplex-stabilizing properties of conformationally constrained tricyclic analogues of LNA.","Organic & biomolecular chemistry","2016","14","6","2034","2040","10.1039/c5ob02576a","","x-ray","1.34139","GaKα","","0.0436","0.0422","","","0.1084","0.1096","","","","","","1.096","","","","has coordinates,has disorder","176170","2020-10-21","18:00:00",""
"7154917","5.9198","0.0002","8.4943","0.0004","26.9054","0.0011","90","","90","","90","","1352.93","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br O S2 -","- C14 H11 Br O S2 -","- C56 H44 Br4 O4 S8 -","4","1","","Yu, Jin-Sheng; Wu, Wen-Biao; Zhou, Feng","The first catalytic asymmetric thioacetalization by chiral phosphoric acid catalysis.","Organic & biomolecular chemistry","2016","14","7","2205","2209","10.1039/c5ob02495a","","","0.71073","MoKα","","0.0316","0.0266","","","0.0608","0.063","","","","","","1.037","","","","has coordinates","177901","2020-10-21","18:00:00",""
"7154921","6.4983","0.0017","10.457","0.003","27.274","0.007","90","","90","","90","","1853.3","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 I N O5 -","- C16 H20 I N O5 -","- C64 H80 I4 N4 O20 -","4","1","","Forbes, Christina R.; Pandey, Anil K.; Ganguly, Himal K.; Yap, Glenn P. A.; Zondlo, Neal J.","4R- and 4S-iodophenyl hydroxyproline, 4R-pentynoyl hydroxyproline, and S-propargyl-4-thiolphenylalanine: conformationally biased and tunable amino acids for bioorthogonal reactions.","Organic & biomolecular chemistry","2016","14","7","2327","2346","10.1039/c5ob02473k","","","0.71073","MoKα","","0.0905","0.0454","","","0.0756","0.0924","","","","","","1.017","","","","has coordinates","177902","2020-10-21","18:00:00",""
"7154924","9.9601","0.0008","10.8355","0.0007","23.6278","0.0013","90","","90","","90","","2550","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O5 S -","- C28 H27 N O5 S -","- C112 H108 N4 O20 S4 -","4","1","","Li, Ji-Yao; Li, Zhi-Long; Zhao, Wei-Wei; Liu, Yan-Kai; Tong, Zhi-Ping; Tan, Rui","One-pot, highly efficient, asymmetric synthesis of ring-fused piperidine derivatives bearing N,O- or N,N-acetal moieties.","Organic & biomolecular chemistry","2016","14","8","2444","2453","10.1039/c5ob02571k","","","1.54184","CuKα","","0.0585","0.0479","","","0.1291","0.1383","","","","","","1.071","","","","has coordinates","177922","2020-10-21","18:00:00",""
"7154925","10.0985","0.0008","14.8716","0.0011","17.4835","0.0013","90","","90","","90","","2625.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N O5 S -","- C28 H31 N O5 S -","- C112 H124 N4 O20 S4 -","4","1","","Li, Ji-Yao; Li, Zhi-Long; Zhao, Wei-Wei; Liu, Yan-Kai; Tong, Zhi-Ping; Tan, Rui","One-pot, highly efficient, asymmetric synthesis of ring-fused piperidine derivatives bearing N,O- or N,N-acetal moieties.","Organic & biomolecular chemistry","2016","14","8","2444","2453","10.1039/c5ob02571k","","","0.71073","MoKα","","0.0364","0.0333","","","0.089","0.093","","","","","","1.043","","","","has coordinates,has disorder","177922","2020-10-21","18:00:00",""
"7154926","6.3758","0.0002","10.5378","0.0004","23.8709","0.0009","90","","90","","90","","1603.81","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-2-(4-phenylpiperidin-1-yl)-1,2-dihydronaphthalen-1-ol","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","","Xu, Xin; Chen, Jingchao; He, Zhenxiu; Zhou, Yongyun; Fan, Baomin","Rhodium-catalyzed asymmetric ring opening reaction of oxabenzonorbornadienes with amines using ZnI2 as the activator.","Organic & biomolecular chemistry","2016","14","8","2480","2486","10.1039/c5ob02331a","","","1.54178","CuKα","","0.0537","0.0536","","","0.1553","0.1554","","","","","","1.111","","","","has coordinates","177923","2020-10-21","18:00:00",""
"7154936","7.7291","0.0004","15.0891","0.0006","21.358","0.001","90","","90","","90","","2490.9","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl F6 N4 P Rh -","- C20 H27 Cl F6 N4 P Rh -","- C80 H108 Cl4 F24 N16 P4 Rh4 -","4","1","","Zhao, Shixian; Wu, Feifei; Ma, Yuyu; Chen, Wanzhi; Liu, Miaochang; Wu, Huayue","Enhancement of N-heterocyclic carbenes on rhodium catalyzed olefination of triazoles.","Organic & biomolecular chemistry","2016","14","8","2550","2555","10.1039/c5ob02397a","","","0.71073","MoKα","","0.0448","0.0392","","","0.0965","0.1004","","","","","","1.05","","","","has coordinates","177920","2020-10-21","18:00:00",""
"7154946","12.5755","0.0007","16.641","0.001","17.7068","0.001","90","","90","","90","","3705.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H49 N3 O4 -","- C43 H49 N3 O4 -","- C172 H196 N12 O16 -","4","1","","Khanvilkar, Aditya N.; Bedekar, Ashutosh V.","Synthesis and characterization of chiral aza-macrocycles and study of their enantiomer recognition ability for organo-phosphoric acid and phosphonic acid derivatives by (31)P NMR and fluorescence spectroscopy.","Organic & biomolecular chemistry","2016","14","9","2742","2748","10.1039/c5ob02616d","","","0.71073","MoKα","","0.0884","0.0516","","","0.0835","0.0956","","","","","","0.928","","","","has coordinates","177933","2020-10-21","18:00:00",""
"7154947","12.8516","0.0002","13.959","0.0003","21.1978","0.0004","90","","90","","90","","3802.79","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H49 N3 O4 -","- C43 H49 N3 O4 -","- C172 H196 N12 O16 -","4","1","","Khanvilkar, Aditya N.; Bedekar, Ashutosh V.","Synthesis and characterization of chiral aza-macrocycles and study of their enantiomer recognition ability for organo-phosphoric acid and phosphonic acid derivatives by (31)P NMR and fluorescence spectroscopy.","Organic & biomolecular chemistry","2016","14","9","2742","2748","10.1039/c5ob02616d","","","1.54184","CuKα","","0.0512","0.0458","","","0.1161","0.1215","","","","","","1.0492","","","","has coordinates","177933","2020-10-21","18:00:00",""
"7154950","5.4884","0.0005","11.4294","0.0009","19.5736","0.0016","90","","90","","90","","1227.83","0.18","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0456","0.0391","","","0.0871","0.0906","","","","","","1.007","","","","has coordinates","177926","2020-10-21","18:00:00",""
"7154951","7.292","0.002","11.75","0.003","14.698","0.004","90","","90","","90","","1259.3","0.6","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 S -","- C15 H14 O3 S -","- C60 H56 O12 S4 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0795","0.0608","","","0.1452","0.1569","","","","","","0.982","","","","has coordinates","177926","2020-10-21","18:00:00",""
"7154952","8.108","0.003","11.284","0.004","24.513","0.008","90","","90","","90","","2242.7","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 S -","- C12 H12 O3 S -","- C96 H96 O24 S8 -","8","2","","Boyd, Derek R.; Sharma, Narain D.; Malone, John F.; Ljubez, Vera; Murphy, Deirdre; Shepherd, Steven D.; Allen, Christopher C. R.","Chemoenzymatic synthesis of enantiopure hydroxy sulfoxides derived from substituted arenes.","Organic & biomolecular chemistry","2016","14","9","2651","2664","10.1039/c5ob02411k","","","0.71073","MoKα","","0.0887","0.0493","","","0.1029","0.1196","","","","","","1.034","","","","has coordinates","177926","2020-10-21","18:00:00",""
"7154968","9.7463","0.0005","11.9704","0.0005","24.3772","0.0013","90","","90","","90","","2844","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 F N2 O5 -","- C29 H35 F N2 O5 -","- C116 H140 F4 N8 O20 -","4","1","","Marques, A.-S.; Giardinetti, M.; Marrot, J.; Coeffard, V.; Moreau, X.; Greck, C.","Construction of enantioenriched polysubstituted hexahydropyridazines via a sequential multicatalytic process merging palladium catalysis and aminocatalysis.","Organic & biomolecular chemistry","2016","14","10","2828","2832","10.1039/c5ob02437d","","","0.71073","MoKα","","0.0534","0.041","","","0.1127","0.1272","","","","","","1.162","","","","has coordinates","177908","2020-10-21","18:00:00",""
"7154980","8.5357","0.0003","12.3308","0.0004","14.9954","0.0005","90","","90","","90","","1578.3","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3 S ,4 R )-3-(Ethoxycarbonyl)-1-oxo-3-(thiophen-2-yl)isochro mane-4-carboxylic acid","","- C17 H14 O6 S -","- C17 H14 O6 S -","- C68 H56 O24 S4 -","4","1","","Cornaggia, Claudio; Gundala, Sivaji; Manoni, Francesco; Gopalasetty, Nagaraju; Connon, Stephen J.","Catalytic formal cycloadditions between anhydrides and ketones: excellent enantio and diastereocontrol, controllable decarboxylation and the formation of adjacent quaternary stereocentres.","Organic & biomolecular chemistry","2016","14","11","3040","3046","10.1039/c6ob00089d","","","1.54178","CuKα","","0.056","0.055","","","0.1582","0.1591","","","","","","1.12","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7154991","10.2816","0.0003","10.436","0.0003","15.0467","0.0005","90","","90","","90","","1614.49","0.09","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-1-((4-Hydroxyphenyl)(thiophen-3-yl)methyl)naphthalen-2-ol","","- C21 H16 O2 S -","- C21 H16 O2 S -","- C84 H64 O8 S4 -","4","1","","Wong, Yuk Fai; Wang, Zhaobin; Sun, Jianwei","Chiral phosphoric acid catalyzed asymmetric addition of naphthols to para-quinone methides.","Organic & biomolecular chemistry","2016","14","24","5751","5754","10.1039/c6ob00125d","","x-ray","1.54184","CuKα","","0.0585","0.057","","","0.1486","0.1503","","","","","","1","","","","has coordinates,has disorder","183758","2020-10-21","18:00:00",""
"7154995","8.2474","0.0005","11.1326","0.0007","18.0136","0.0011","90","","90","","90","","1653.92","0.18","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 S -","- C18 H17 N O5 S -","- C72 H68 N4 O20 S4 -","4","1","","Luridiana, Alberto; Frongia, Angelo; Aitken, David J.; Guillot, Regis; Sarais, Giorgia; Secci, Francesco","Deracemizing organocatalyzed Michael addition reactions of 2-(arylthio)cyclobutanones with β-nitrostyrenes.","Organic & biomolecular chemistry","2016","14","13","3394","3403","10.1039/c6ob00160b","","x-ray","0.71073","MoKα","","0.0328","0.029","","","0.0776","0.0797","","","","","","1.075","","","","has coordinates","181781","2020-10-21","18:00:00",""
"7155017","8.7967","0.0004","9.2428","0.0004","17.2636","0.0008","90","","90","","90","","1403.64","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R,Z)-3-(4-fluorophenyl)-2-(hydroxyimino)-3-(trifluoromethyl)-3,5,6,7-tetrahydrobenzofuran-4(2H)-one","","- C15 H11 F4 N O3 -","- C15 H11 F4 N O3 -","- C60 H44 F16 N4 O12 -","4","1","","Liu, Wei; Lai, Xiaoyan; Zha, Gaofeng; Xu, Yan; Sun, Panpan; Xia, Tao; Shen, Yongcun","The squaramide-catalyzed asymmetric Michael/cyclization tandem reaction for the synthesis of chiral trifluoromethylated hydroxyimino tetrahydrobenzofuranones.","Organic & biomolecular chemistry","2016","14","14","3603","3607","10.1039/c6ob00119j","","","1.54178","CuKα","","0.0439","0.037","","","0.0872","0.0924","","","","","","1.075","","","","has coordinates","181798","2020-10-21","18:00:00",""
"7155018","7.4773","0.001","8.2931","0.0011","20.419","0.003","90","","90","","90","","1266.2","0.3","298","2","298","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Compound 10","","- C11 H13 N5 O4 -","- C11 H13 N5 O4 -","- C44 H52 N20 O16 -","4","1","","Zhang, Hu; Liu, Peng-Fei; Chen, Qiong; Wu, Qiong-You; Seville, Anne; Gu, Yu-Cheng; Clough, John; Zhou, Shao-Lin; Yang, Guang-Fu","Synthesis and absolute configuration assignment of albucidin: a late-stage reductive deiodination by visible light photocatalysis.","Organic & biomolecular chemistry","2016","14","13","3482","3485","10.1039/c6ob00371k","","","0.71073","MoKα","","0.0409","0.0376","","","0.1079","0.1122","","","","","","1.058","","","","has coordinates","181780","2020-10-21","18:00:00",""
"7155032","9.7915","0.0007","10.0496","0.0006","33.148","0.002","90","","90","","90","","3261.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 N O3 Rh -","- C31 H32 N O3 Rh -","- C124 H128 N4 O12 Rh4 -","4","1","","Zhao, Yi-Shuang; Liu, Jian-Kang; He, Zhi-Tao; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Two phenyls are better than one or three: synthesis and application of terminal olefin-oxazoline (TOlefOx) ligands.","Organic & biomolecular chemistry","2016","14","15","3686","3689","10.1039/c6ob00460a","","","0.71073","MoKα","","0.0499","0.0419","","","0.0963","0.1004","","","","","","1.021","","","","has coordinates","182780","2020-10-21","18:00:00",""
"7155033","10.8993","0.0007","13.2135","0.0008","21.2588","0.0013","90","","90","","90","","3061.6","0.3","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O3 Rh -","- C37 H36 N O3 Rh -","- C148 H144 N4 O12 Rh4 -","4","1","","Zhao, Yi-Shuang; Liu, Jian-Kang; He, Zhi-Tao; Tao, Jing-Chao; Tian, Ping; Lin, Guo-Qiang","Two phenyls are better than one or three: synthesis and application of terminal olefin-oxazoline (TOlefOx) ligands.","Organic & biomolecular chemistry","2016","14","15","3686","3689","10.1039/c6ob00460a","","","0.71073","MoKα","","0.0347","0.03","","","0.0607","0.0626","","","","","","1.018","","","","has coordinates","182780","2020-10-21","18:00:00",""
"7155041","8.0842","0.0005","12.4461","0.0008","16.7654","0.0009","90","","90","","90","","1686.88","0.18","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Al Br O2 S -","- C15 H16 Al Br O2 S -","- C60 H64 Al4 Br4 O8 S4 -","4","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0599","0.0381","","","0.1043","0.1249","","","","","","0.827","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155044","9.1301","0.0004","10.89","0.0006","13.3698","0.0009","90","","90","","90","","1329.32","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Br O2 S -","- C13 H11 Br O2 S -","- C52 H44 Br4 O8 S4 -","4","1","","Tang, Yani; Sun, Yuji; Liu, Jiyong; Duttwyler, Simon","Facile synthesis of enantioenriched phenol-sulfoxides and their aluminum complexes.","Organic & biomolecular chemistry","2016","14","24","5580","5585","10.1039/c6ob00136j","","","0.71073","MoKα","","0.0468","0.0334","","","0.0677","0.0737","","","","","","1.028","","","","has coordinates","183753","2020-10-21","18:00:00",""
"7155050","10.846","0.0013","11.5153","0.0015","14.8533","0.0018","90","","90","","90","","1855.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N O2 S2 -","- C19 H19 N O2 S2 -","- C76 H76 N4 O8 S8 -","4","1","","Wu, Shanchao; Li, Yu; Zhang, Yongqiang; Fang, Kun; Dong, Guoqiang; Liu, Na; Miao, Zhenyuan; Yao, Jianzhong; Wang, Wei; Zhang, Wannian; Sheng, Chunquan","Enantioselective organocatalytic Michael addition of isorhodanines to α,β-unsaturated aldehydes.","Organic & biomolecular chemistry","2016","14","16","3926","3933","10.1039/c5ob02457a","","","0.71073","MoKα","","0.0775","0.0395","","","0.1071","0.1408","","","","","","0.75","","","","has coordinates","182786","2020-10-21","18:00:00",""
"7155055","6.684","0.002","11.847","0.004","22.594","0.007","90","","90","","90","","1789.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl N2 O -","- C20 H19 Cl N2 O -","- C80 H76 Cl4 N8 O4 -","4","1","","Kuznetsov, N. Yu; Tikhov, R. M.; Godovikov, I. A.; Khrustalev, V. N.; Bubnov, Yu N.","New enolate-carbodiimide rearrangement in the concise synthesis of 6-amino-2,3-dihydro-4-pyridinones from homoallylamines.","Organic & biomolecular chemistry","2016","14","18","4283","4298","10.1039/c6ob00293e","","","0.71073","MoKα","","0.1784","0.0608","","","0.1131","0.1498","","","","","","1","","","","has coordinates","182777","2020-10-21","18:00:00",""
"7155061","5.7178","0.0003","10.4187","0.0005","24.9522","0.0011","90","","90","","90","","1486.45","0.12","298","2","298","2","","","","","","","NA","4","P 21 21 21","P 2ac 2ab","19","NA","Benzimidazole nucleosides","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Sontakke, Vyankat A.; Lawande, Pravin P.; Kate, Anup N.; Khan, Ayesha; Joshi, Rakesh; Kumbhar, Anupa A.; Shinde, Vaishali S.","Antiproliferative activity of bicyclic benzimidazole nucleosides: synthesis, DNA-binding and cell cycle analysis.","Organic & biomolecular chemistry","2016","14","17","4136","4145","10.1039/c6ob00527f","","","0.71073","MoKα","","0.0742","0.058","","","0.1795","0.2029","","","","","","1.22","","","","has coordinates","182791","2020-10-21","18:00:00",""
"7155078","11.3239","0.0005","12.888","0.0007","25.7528","0.0011","90","","90","","90","","3758.4","0.3","99.97","0.15","99.97","0.15","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 B2 N4 O6 -","- C38 H34 B2 N4 O6 -","- C152 H136 B8 N16 O24 -","4","1","","Liu, Bowen; Novikova, Nina; Simpson, M. Cather; Timmer, Mattie S. M.; Stocker, Bridget L.; Söhnel, Tilo; Ware, David C.; Brothers, Penelope J.","Lighting up sugars: fluorescent BODIPY-gluco-furanose and -septanose conjugates linked by direct B-O-C bonds.","Organic & biomolecular chemistry","2016","14","23","5205","5209","10.1039/c6ob00726k","","x-ray","1.54184","CuKα","","0.0534","0.0482","","","0.129","0.1326","","","","","","0.998","","","","has coordinates","183778","2020-10-21","18:00:00",""
"7155080","5.6525","0.0014","7.679","0.002","32.488","0.009","90","","90","","90","","1410.2","0.6","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O6 -","- C14 H19 N O6 -","- C56 H76 N4 O24 -","4","1","","Qian, Bao-Chen; Kamori, Akiko; Kinami, Kyoko; Kato, Atsushi; Li, Yi-Xian; Fleet, George W. J.; Yu, Chu-Yi","Epimerization of C5 of an N-hydroxypyrrolidine in the synthesis of swainsonine related iminosugars.","Organic & biomolecular chemistry","2016","14","19","4488","4498","10.1039/c6ob00531d","","","0.71073","MoKα","","0.035","0.0337","","","0.0726","0.0733","","","","","","1.117","","","","has coordinates","183781","2020-10-21","18:00:00",""
"7155081","5.5868","0.0004","6.1938","0.0004","31.33","0.002","90","","90","","90","","1084.13","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O6 S -","- C9 H13 N O6 S -","- C36 H52 N4 O24 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0306","0.0267","","","0.0595","0.061","","","","","","1.059","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155084","6.2462","0.0004","9.5487","0.0007","20.1585","0.0015","90","","90","","90","","1202.32","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 N4 O5 S -","- C9 H12 N4 O5 S -","- C36 H48 N16 O20 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0445","0.0354","","","0.0788","0.0833","","","","","","1.059","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155085","6.4782","0.0003","9.8389","0.0004","28.471","0.0012","90","","90","","90","","1814.69","0.14","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 B N2 O7 S -","- C17 H19 B N2 O7 S -","- C68 H76 B4 N8 O28 S4 -","4","1","","Wuttke, André; Fischer, Sebastian Nils; Nebel, Annika; Marsch, Michael; Geyer, Armin","Improved δ-valerolactam templates for the assembly of Aβ-miniamyloids by boronic ester formation.","Organic & biomolecular chemistry","2016","14","22","5032","5048","10.1039/c6ob00565a","","","0.71073","MoKα","","0.0474","0.0376","","","0.0742","0.0771","","","","","","1.041","","","","has coordinates","183752","2020-10-21","18:00:00",""
"7155086","11.8465","0.0005","23.7593","0.001","6.5189","0.0003","90","","90","","90","","1834.84","0.14","140","2","140","2","","","","","","","plant","3","P 21 21 21","P 2ac 2ab","19","","(4S,5S,9S,10R)-13,14-seco-13-oxo-18-hydroxy-ent-abieta-7-en-14- oic acid","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Xiong, Juan; Hong, Zhi-Lai; Xu, Peng; Zou, Yike; Yu, Shang-Bo; Yang, Guo-Xun; Hu, Jin-Feng","ent-Abietane diterpenoids with anti-neuroinflammatory activity from the rare Chloranthaceae plant Chloranthus oldhamii.","Organic & biomolecular chemistry","2016","14","20","4678","4689","10.1039/c6ob00731g","","","1.54178","CuKα","","0.0625","0.057","","","0.158","0.1632","","","","","","1.016","","","","has coordinates","183771","2020-10-21","18:00:00",""
"7155090","6.4456","0.0007","9.8102","0.0008","21.821","0.0019","90","","90","","90","","1379.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triazolyl","triazolyl","","- C13 H14 N4 O5 -","- C13 H14 N4 O5 -","- C52 H56 N16 O20 -","4","1","","Bag, Subhendu Sekhar; Talukdar, Sangita; Das, Suman Kalyan; Pradhan, Manoj Kumar; Mukherjee, Soumen","Donor/acceptor chromophores-decorated triazolyl unnatural nucleosides: synthesis, photophysical properties and study of interaction with BSA.","Organic & biomolecular chemistry","2016","14","22","5088","5108","10.1039/c6ob00500d","","x-ray","0.71073","MoKα","","0.1109","0.0509","","","0.0965","0.1143","","","","","","0.933","","","","has coordinates","183749","2020-10-21","18:00:00",""
"7155105","10.0372","0.0004","13.0997","0.0005","15.0079","0.0005","90","","90","","90","","1973.3","0.13","100","2","100","2","","","","","","","stable","3","P 21 21 21","P 2ac 2ab","19","","(R,E)-2-(1-oxo-1-phenylpropan-2-ylidene)-4-phenyl-1,10b-dihydro-2H,5H-pyrano[3,4-c]chromen-5-one","","- C27 H20 O4 -","- C27 H20 O4 -","- C108 H80 O16 -","4","1","","Han, Xiaoyu; Ni, Huanzhen; Chan, Wai-Lun; Gai, Xikun; Wang, Yongjiang; Lu, Yixin","Highly enantioselective synthesis of dihydrocoumarin-fused dihydropyrans via the phosphine-catalyzed [4 + 2] annulation of allenones with 3-aroylcoumarins.","Organic & biomolecular chemistry","2016","14","22","5059","5064","10.1039/c6ob00955g","","","1.54178","CuKα","","0.0305","0.0302","","","0.0793","0.0796","","","","","","1.06","","","","has coordinates","183750","2020-10-21","18:00:00",""
"7155107","8.2657","0.0004","14.1996","0.0006","21.2896","0.0009","90","","90","","90","","2498.75","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 I N2 -","- C14 H11 I N2 -","- C112 H88 I8 N16 -","8","2","","Samanta, Sadhanendu; Jana, Sourav; Mondal, Susmita; Monir, Kamarul; Chandra, Swapan K.; Hajra, Alakananda","Switching the regioselectivity in the copper-catalyzed synthesis of iodoimidazo[1,2-a]pyridines.","Organic & biomolecular chemistry","2016","14","22","5073","5078","10.1039/c6ob00656f","","","0.71073","MoKα","","0.0453","0.0395","","","0.1181","0.1313","","","","","","1.147","","","","has coordinates","183751","2020-10-21","18:00:00",""
"7155123","5.7389","0.0004","11.4338","0.0008","22.2456","0.0018","90","","90","","90","","1459.7","0.19","207","70","207","70","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Fu, Xuan; Lin, Lili; Xia, Yong; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming","Catalytic asymmetric [3 + 3] annulation of cyclopropanes with mercaptoacetaldehyde.","Organic & biomolecular chemistry","2016","14","25","5914","5917","10.1039/c6ob00948d","","x-ray","0.71073","MoKα","","0.0467","0.0432","","","0.1019","0.1068","","","","","","1.054","","","","has coordinates","185634","2020-10-21","18:00:00",""
"7155124","7.5608","0.0008","13.1579","0.0014","16.9471","0.0018","90","","90","","90","","1686","0.3","130","","130","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O5 S -","- C17 H21 N O5 S -","- C68 H84 N4 O20 S4 -","4","1","","Fu, Jian-Guo; Shan, Yi-Fan; Sun, Wang-Bin; Lin, Guo-Qiang; Sun, Bing-Feng","An asymmetric approach to bicyclo[2.2.1]heptane-1-carboxylates via a formal [4 + 2] cycloaddition reaction enabled by organocatalysis.","Organic & biomolecular chemistry","2016","14","23","5229","5232","10.1039/c6ob00814c","","","0.71073","MoKα","","0.0462","0.0395","","","0.0933","0.097","","","","","","1.03","","","","has coordinates,has disorder","183779","2020-10-21","18:00:00",""
"7155129","5.4617","0.0003","8.2109","0.0005","23.4585","0.0011","90","","90","","90","","1052.01","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","You, Zhi-Hao; Chen, Ying-Han; Liu, Yan-Kai","From racemic precursors to fully stereocontrolled products: one-pot synthesis of chiral α-amino lactones and lactams.","Organic & biomolecular chemistry","2016","14","26","6316","6327","10.1039/c6ob00953k","","","1.54184","CuKα","","0.0599","0.0457","","","0.1115","0.1229","","","","","","1.046","","","","has coordinates","185629","2020-10-21","18:00:00",""
"7155147","9.6078","0.0018","18.11","0.004","21.537","0.004","90","","90","","90","","3747.4","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 F N O3 S -","- C17 H26 F N O3 S -","- C136 H208 F8 N8 O24 S8 -","8","2","","Li, Xiang; Li, Ya; Shang, Huaqi","A diastereoselective Mannich-type reaction of α-fluorinated carboxylate esters: synthesis of β-amino acids containing α-quaternary fluorinated carbon centers.","Organic & biomolecular chemistry","2016","14","27","6457","6462","10.1039/c6ob01084a","","","0.71073","MoKα","","0.0808","0.0503","","","0.1103","0.1238","","","","","","0.993","","","","has coordinates","185637","2020-10-21","18:00:00",""
"7155149","10.5258","0.0009","11.7582","0.001","14.4254","0.0012","90","","90","","90","","1785.4","0.3","130","","130","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 Cl O3 -","- C24 H15 Cl O3 -","- C96 H60 Cl4 O12 -","4","1","","Jiang, Yu; Fu, Jun-Hao; Li, Tian-Ze; Sha, Feng; Wu, Xin-Yan","Enantioselective direct vinylogous aldol-cyclization cascade reaction between β,γ-unsaturated amides and o-quinones.","Organic & biomolecular chemistry","2016","14","27","6435","6441","10.1039/c6ob00893c","","","0.71073","MoKα","","0.0397","0.0349","","","0.0851","0.0885","","","","","","1.045","","","","has coordinates","185646","2020-10-21","18:00:00",""
"7155153","8.291","0.005","10.918","0.005","22.462","0.005","90","0.005","90","0.005","90","0.005","2033.3","1.6","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-tert-butyl 2-oxo-5-((R)-3-oxo-1-phenyl-3-(pyridin-2-yl)propyl)-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C21 H22 N2 O4 S -","- C21 H22 N2 O4 S -","- C84 H88 N8 O16 S4 -","4","1","","Wang, Zhen-Hua; Wu, Zhi-Jun; Yue, Deng-Feng; You, Yong; Xu, Xiao-Ying; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Enantioselective synthesis of chiral α,β-unsaturated γ-substituted butyrolactams by organocatalyzed direct asymmetric vinylogous Michael addition of α,β-unsaturated γ-butyrolactam to 2-enoylpyridines.","Organic & biomolecular chemistry","2016","14","27","6568","6576","10.1039/c6ob01191h","","","1.54184","CuKα","","0.0552","0.0454","","","0.1149","0.1357","","","","","","1.087","","","","has coordinates,has disorder","185640","2020-10-21","18:00:00",""
"7155155","11.908","0.002","12.416","0.003","13.154","0.003","90","","90","","90","","1944.8","0.7","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O3 S -","- C24 H19 N O3 S -","- C96 H76 N4 O12 S4 -","4","1","","Liang, Zhi-Qin; Wang, Dong-Ling; Zhang, Chun-Lin; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of saccharine-derived dihydropyridinones with cis-selectivity.","Organic & biomolecular chemistry","2016","14","27","6422","6425","10.1039/c6ob01040g","","","0.71073","MoKα","","0.037","0.0357","","","0.0826","0.0838","","","","","","1.075","","","","has coordinates","185641","2020-10-21","18:00:00",""
"7155157","4.9002","0.0003","16.6369","0.0009","25.4887","0.0015","90","","90","","90","","2077.9","0.2","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N4 O2 S -","- C24 H20 N4 O2 S -","- C96 H80 N16 O8 S4 -","4","1","","Wang, Yanxin J.; Szantai-Kis, D Miklos; Petersson, E. James","Chemoselective modifications for the traceless ligation of thioamide-containing peptides and proteins.","Organic & biomolecular chemistry","2016","14","26","6262","6269","10.1039/c6ob01020b","","","0.71073","MoKα","","0.0416","0.033","","","0.0693","0.0722","","","","","","1.017","","","","has coordinates","185631","2020-10-21","18:00:00",""
"7155159","7.49844","0.00012","10.97341","0.00019","16.2847","0.0003","90","","90","","90","","1339.96","0.04","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Huang, David; Schuppe, Alexander W.; Liang, Michael Z.; Newhouse, Timothy R.","Scalable procedure for the fragmentation of hydroperoxides mediated by copper and iron tetrafluoroborate salts.","Organic & biomolecular chemistry","2016","14","26","6197","6200","10.1039/c6ob00941g","","","1.54184","CuKα","","0.0252","0.0245","","","0.0626","0.0632","","","","","","1.058","","","","has coordinates,has disorder","185633","2020-10-21","18:00:00",""
"7155169","9.8932","0.0013","15.009","0.002","21.27","0.003","90","","90","","90","","3158.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F3 N S -","- C17 H16 F3 N S -","- C136 H128 F24 N8 S8 -","8","2","","Zhou, Ji; Zhang, Qian-Fan; Zhao, Wei-Hao; Jiang, Guo-Fang","Chiral phosphoric acid-catalyzed asymmetric transfer hydrogenation of 3-trifluoromethylthioquinolines.","Organic & biomolecular chemistry","2016","14","29","6937","6941","10.1039/c6ob01176d","","","0.71073","MoKα","","0.072","0.0539","","","0.1106","0.1186","","","","","","1.034","","","","has coordinates","185657","2020-10-21","18:00:00",""
"7155170","7.6135","0.0008","13.282","0.002","18.5374","0.0011","90","","90","","90","","1874.5","0.4","291.89","0.1","291.89","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-benzoyl-1-phenyl-1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinolin-2(3H)-one","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","He, Liwenze; Liu, Lin; Han, Runfeng; Zhang, Weiwei; Xie, Xingang; She, Xuegong","Thermal 1,3-dipolar cycloaddition reaction of azomethine imines with active esters.","Organic & biomolecular chemistry","2016","14","28","6757","6761","10.1039/c6ob01095d","","","0.71073","MoKα","","0.1492","0.064","","","0.0989","0.1357","","","","","","0.975","","","","has coordinates","185661","2020-10-21","18:00:00",""
"7155171","8.4952","0.0002","9.1213","0.0002","14.963","0.0003","90","","90","","90","","1159.44","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O S2 -","- C11 H16 O S2 -","- C44 H64 O4 S8 -","4","1","","Diebler, J.; Spannenberg, A.; Werner, T.","Atom economical synthesis of di- and trithiocarbonates by the lithium tert-butoxide catalyzed addition of carbon disulfide to epoxides and thiiranes.","Organic & biomolecular chemistry","2016","14","31","7480","7489","10.1039/c6ob01081d","","","0.71073","MoKα","","0.0245","0.0235","","","0.0625","0.0635","","","","","","1.068","","","","has coordinates","185648","2020-10-21","18:00:00",""
"7155194","7.958","0.003","9.449","0.003","19.866","0.006","90","","90","","90","","1493.8","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl F O3 -","- C18 H12 Cl F O3 -","- C72 H48 Cl4 F4 O12 -","4","1","","Sha, Wanxing; Zhang, Lijun; Zhang, Wenzhong; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Catalytic cascade aldol-cyclization of tertiary ketone enolates for enantioselective synthesis of keto-esters with a C-F quaternary stereogenic center.","Organic & biomolecular chemistry","2016","14","30","7295","7303","10.1039/c6ob01152g","","","0.71073","MoKα","","0.0787","0.0384","","","0.0688","0.0822","","","","","","0.995","","","","has coordinates","185622","2020-10-21","18:00:00",""
"7155196","11.82201","0.00013","19.9887","0.0002","23.1114","0.0003","90","","90","","90","","5461.38","0.11","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O3 -","- C30 H46 O3 -","- C240 H368 O24 -","8","2","","Liu, Hong-Xin; Chen, Kai; Yuan, Yao; Xu, Zhi-Fang; Tan, Hai-Bo; Qiu, Sheng-Xiang","Rhodomentones A and B, novel meroterpenoids with unique NMR characteristics from Rhodomyrtus tomentosa.","Organic & biomolecular chemistry","2016","14","30","7354","7360","10.1039/c6ob01215a","","x-ray","1.54184","CuKα","","0.0327","0.0306","","","0.079","0.0812","","","","","","1.009","","","","has coordinates","185623","2020-10-21","18:00:00",""
"7155198","10.5138","0.0001","14.5405","0.0002","19.6851","0.0003","90","","90","","90","","3009.38","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 N P -","- C38 H40 N P -","- C152 H160 N4 P4 -","4","1","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0348","0.0338","","","0.0942","0.095","","","","","","1.022","","","","has coordinates","185651","2020-10-21","18:00:00",""
"7155199","10.6196","0.0001","22.1572","0.0002","26.8016","0.0003","90","","90","","90","","6306.43","0.11","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H40 N P -","- C41 H40 N P -","- C328 H320 N8 P8 -","8","2","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0408","0.0393","","","0.1051","0.1066","","","","","","1.028","","","","has coordinates,has disorder","185651","2020-10-21","18:00:00",""
"7155200","10.5997","0.0003","14.5202","0.0004","21.027","0.0006","90","","90","","90","","3236.26","0.16","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 N P -","- C41 H42 N P -","- C164 H168 N4 P4 -","4","1","","Mino, Takashi; Nishikawa, Kenji; Asano, Moeko; Shima, Yamato; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Chiral N-1-adamantyl-N-trans-cinnamylaniline type ligands: synthesis and application to palladium-catalyzed asymmetric allylic alkylation of indoles.","Organic & biomolecular chemistry","2016","14","31","7509","7519","10.1039/c6ob01354f","","","1.54178","CuKα","","0.0382","0.0375","","","0.1033","0.1041","","","","","","1.032","","","","has coordinates","185651","2020-10-21","18:00:00",""
"7155202","9.2519","0.0011","9.9263","0.0012","18.4119","0.0019","90","","90","","90","","1690.9","0.3","125","","125","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O3 -","- C21 H22 O3 -","- C84 H88 O12 -","4","1","","Barrios Antúnez, Diego-Javier; Greenhalgh, Mark D.; Fallan, Charlene; Slawin, Alexandra M. Z.; Smith, Andrew D.","Enantioselective synthesis of 2,3-disubstituted trans-2,3-dihydrobenzofurans using a Brønsted base/thiourea bifunctional catalyst.","Organic & biomolecular chemistry","2016","14","30","7268","7274","10.1039/c6ob01326k","","","1.54187","CuKα","","0.0264","0.026","","","0.0704","0.0708","","","","","","1.055","","","","has coordinates","185624","2020-10-21","18:00:00",""
"7155211","7.5275","0.0014","13.374","0.003","15.278","0.003","90","","90","","90","","1538.1","0.5","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O3 -","- C17 H16 Br N O3 -","- C68 H64 Br4 N4 O12 -","4","1","","Stark, Daniel G.; Williamson, Patrick; Gayner, Emma R.; Musolino, Stefania F.; Kerr, Ryan W. F.; Taylor, James E.; Slawin, Alexandra M. Z.; O'Riordan, Timothy J C; Macgregor, Stuart A.; Smith, Andrew D.","Isothiourea-catalysed enantioselective pyrrolizine synthesis: synthetic and computational studies.","Organic & biomolecular chemistry","2016","14","38","8957","8965","10.1039/c6ob01557c","","","0.71075","MoKα","","0.0449","0.0373","","","0.0723","0.074","","","","","","0.918","","","","has coordinates","187175","2020-10-21","18:00:00",""
"7155212","8.0275","0.0014","11.093","0.002","17.321","0.003","90","","90","","90","","1542.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cl N4 O -","- C16 H15 Cl N4 O -","- C64 H60 Cl4 N16 O4 -","4","1","","Chen, Long; Xing, Haotian; Zhang, Huaibin; Jiang, Zhong-Xing; Yang, Zhigang","Copper-catalyzed intermolecular chloroazidation of α,β-unsaturated amides.","Organic & biomolecular chemistry","2016","14","31","7463","7467","10.1039/c6ob01352j","","","0.71073","MoKα","","0.053","0.0404","","","0.0974","0.1061","","","","","","1.034","","","","has coordinates","185650","2020-10-21","18:00:00",""
"7155219","5.3545","0.0014","11.656","0.003","15.876","0.004","90","","90","","90","","990.9","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 Br Cl O -","- C9 H10 Br Cl O -","- C36 H40 Br4 Cl4 O4 -","4","1","","Huang, Wei-Sheng; Chen, Li; Zheng, Zhan-Jiang; Yang, Ke-Fang; Xu, Zheng; Cui, Yu-Ming; Xu, Li-Wen","Catalytic asymmetric bromochlorination of aromatic allylic alcohols promoted by multifunctional Schiff base ligands.","Organic & biomolecular chemistry","2016","14","33","7927","7932","10.1039/c6ob01306f","","","0.71073","MoKα","","0.0316","0.0279","","","0.0666","0.0679","","","","","","1.063","","","","has coordinates","186487","2020-10-21","18:00:00",""
"7155223","9.403","0.0003","10.4777","0.0004","36.3472","0.0012","90","","90","","90","","3581","0.2","296","","296","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H48 Cl N O4 S Sn -","- C33 H48 Cl N O4 S Sn -","- C132 H192 Cl4 N4 O16 S4 Sn4 -","4","1","","Kamimura, Akio; Tanaka, Toshiyuki; So, Masahiro; Itaya, Tomoyuki; Matsuda, Kantaro; Kawamoto, Takuji","A regioselective double Stille coupling reaction of bicyclic stannolanes.","Organic & biomolecular chemistry","2016","14","34","8109","8122","10.1039/c6ob01018k","","","0.71075","MoKα","","","0.0308","","","","0.0812","","","","","","1.05","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155234","14.6046","0.0011","18.958","0.0015","23.9068","0.0019","90","","90","","90","","6619.2","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 N3 O3 P -","- C37 H42 N3 O3 P -","- C296 H336 N24 O24 P8 -","8","2","","Yang, Bing; Ji, Xiaozhou; Xue, Yunsheng; Zhang, Haowei; Shen, Minxing; Jiang, Bo; Li, Guigen","Asymmetric aza-Morita-Baylis-Hillman reactions of chiral N-phosphonyl imines with acrylates via GAP chemistry/technology.","Organic & biomolecular chemistry","2016","14","25","6024","6035","10.1039/c6ob00847j","","","0.71073","MoKα","","0.2009","0.0649","","","0.0907","0.1088","","","","","","0.895","","","","has coordinates,has disorder","185079","2020-10-21","18:00:00",""
"7155237","6.7242","0.0003","15.1813","0.0007","19.2667","0.001","90","","90","","90","","1966.79","0.16","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 -","- C20 H35 N O3 -","- C80 H140 N4 O12 -","4","1","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.0379","0.0337","","","0.0761","0.0784","","","","","","1.049","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155239","5.615","0.003","10.654","0.005","35.955","0.017","90","","90","","90","","2150.9","1.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,14R,16S,E)-16-(tert-butyl)-3,8,14-trimethyl-1-oxa-8-azacyclohexadec-10-ene-2,9-dione","","- C21 H37 N O3 -","- C21 H37 N O3 -","- C84 H148 N4 O12 -","4","1","","Philkhana, Satish Chandra; Mehrotra, Suneet; Murray, Thomas F.; Reddy, D. Srinivasa","Synthesis and biological evaluation of palmyrolide A macrocycles as sodium channel blockers towards neuroprotection.","Organic & biomolecular chemistry","2016","14","36","8457","8473","10.1039/c6ob01372d","","","0.71073","MoKα","","0.0617","0.0445","","","0.0607","0.0628","","","","","","1.618","","","","has coordinates","187187","2020-10-21","18:00:00",""
"7155245","4.6505","0.0005","13.4476","0.0013","16.1385","0.0016","90","","90","","90","","1009.27","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 O Se2 -","- C11 H8 O Se2 -","- C44 H32 O4 Se8 -","4","1","","Mondal, Santanu; Mugesh, Govindasamy","Biomimetic deiodination of thyroid hormones and iodothyronamines - a structure-activity relationship study.","Organic & biomolecular chemistry","2016","14","40","9490","9500","10.1039/c6ob01375a","","","0.71073","MoKα","","0.1161","0.0783","","","0.1945","0.2135","","","","","","1.208","","","","has coordinates","188306","2020-10-21","18:00:00",""
"7155249","10.4185","0.0004","15.6536","0.0006","18.156","0.0008","90","","90","","90","","2961","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 N4 O9 -","- C27 H44 N4 O9 -","- C108 H176 N16 O36 -","4","1","","Lee, Jaeyeon; Jang, Geunhyeok; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Helical α/β-depsipeptides with alternating residue types: conformational change from the 11-helix to the 14/15-helix.","Organic & biomolecular chemistry","2016","14","36","8438","8442","10.1039/c6ob01602b","","","1.54178","CuKα","","0.041","0.0351","","","0.0828","0.0857","","","","","","1.057","","","","has coordinates","187191","2020-10-21","18:00:00",""
"7155253","5.168","0.0005","10.0269","0.0012","32.073","0.004","90","","90","","90","","1662","0.3","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Br N O4 S -","- C15 H20 Br N O4 S -","- C60 H80 Br4 N4 O16 S4 -","4","1","","Feng, Bo-Xu; Wang, Bin; Li, Xin","Asymmetric additions of thioglycolates and N-Boc aldimines catalyzed by a bifunctional tertiary-amine squaramide.","Organic & biomolecular chemistry","2016","14","39","9206","9209","10.1039/c6ob01645f","","","0.71073","MoKα","","0.0198","0.0186","","","0.0443","0.0444","","","","","","1.024","","","","has coordinates","187181","2020-10-21","18:00:00",""
"7155260","4.672","0.004","5.359","0.004","67.02","0.05","90","","90","","90","","1678","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O3 -","- C17 H28 O3 -","- C68 H112 O12 -","4","1","","Kuilya, Tapan Kumar; Goswami, Rajib Kumar","Total synthesis of cananginone C and structural revision of debilisone A.","Organic & biomolecular chemistry","2016","14","37","8789","8799","10.1039/c6ob01671e","","","0.71073","MoKα","","0.1322","0.0478","","","0.0595","0.076","","","","","","0.925","","","","has coordinates","188303","2020-10-21","18:00:00",""
"7155267","5.1495","0.0002","9.3429","0.0003","27.7278","0.0008","90","","90","","90","","1334.02","0.08","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-(4-Chlorophenyl)(4-(pentafluorosulfanyl)phenyl)methanol","","- C13 H10 Cl F5 O S -","- C13 H10 Cl F5 O S -","- C52 H40 Cl4 F20 O4 S4 -","4","1","","Desroches, Justine; Tremblay, Ariane; Paquin, Jean-François","Racemic and enantioselective metal-catalyzed synthesis of SF5-containing diarylmethanols.","Organic & biomolecular chemistry","2016","14","37","8764","8780","10.1039/c6ob01663d","","x-ray","1.54178","CuKα","","0.0196","0.0196","","","0.0522","0.0522","","","","","","1.097","","","","has coordinates","188297","2020-10-21","18:00:00",""
"7155272","9.4858","0.0012","16.647","0.002","20.977","0.002","90","","90","","90","","3312.5","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H31 B N4 O2 -","- C43 H31 B N4 O2 -","- C172 H124 B4 N16 O8 -","4","1","","Brittain, William D. G.; Chapin, Brette M.; Zhai, Wenlei; Lynch, Vincent M.; Buckley, Benjamin R.; Anslyn, Eric V.; Fossey, John S.","The Bull-James assembly as a chiral auxiliary and shift reagent in kinetic resolution of alkyne amines by the CuAAC reaction.","Organic & biomolecular chemistry","2016","14","46","10778","10782","10.1039/c6ob01623e","","","1.54184","CuKα","","0.0326","0.0313","","","0.0819","0.0831","","","","","","1.034","","","","has coordinates","190251","2020-10-21","18:00:00",""
"7155290","7.4819","0.0003","12.1332","0.0005","25.226","0.0008","90","","90","","90","","2290","0.15","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Amide ester","","- C25 H26 N2 O6 S -","- C25 H26 N2 O6 S -","- C100 H104 N8 O24 S4 -","4","1","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.7107","MoKα","","0.0538","0.0447","","","0.1018","0.1063","","","","","","1.074","","","","has coordinates","190264","2020-10-21","18:00:00",""
"7155291","9.0934","0.0004","10.9932","0.0004","25.0614","0.0014","90","","90","","90","","2505.3","0.2","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Amine Ester","","- C25 H28 N2 O5 S -","- C25 H28 N2 O5 S -","- C100 H112 N8 O20 S4 -","4","1","","Mondal, Pravat; Argade, Narshinha P.","Stereoselective synthesis of (-)-desethyleburnamonine, (-)-vindeburnol and (-)-3-epitacamonine: observation of a substrate dependent diastereoselectivity reversal of an aldol reaction.","Organic & biomolecular chemistry","2016","14","44","10394","10406","10.1039/c6ob01438k","","","0.7107","MoKα","","0.0609","0.051","","","0.128","0.1401","","","","","","1.056","","","","has coordinates","190264","2020-10-21","18:00:00",""
"7155298","10.0376","0.00018","11.6437","0.0002","18.2329","0.0003","90","","90","","90","","2130.97","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N2 O3 P -","- C24 H23 N2 O3 P -","- C96 H92 N8 O12 P4 -","4","1","","Lin, Shaoquan; Kumagai, Naoya; Shibasaki, Masakatsu","Enantioselective synthesis of α,α-disubstituted α-amino acids via direct catalytic asymmetric addition of acetonitrile to α-iminoesters.","Organic & biomolecular chemistry","2016","14","41","9725","9730","10.1039/c6ob01874b","","","1.54187","CuKα","","0.0706","0.0653","","","0.1508","0.1523","","","","","","1.277","","","","has coordinates","188286","2020-10-21","18:00:00",""
"7155308","8.0194","0.0005","16.8849","0.0011","20.7855","0.0013","90","","90","","90","","2814.5","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Cl3 N2 O3 S -","- C31 H23 Cl3 N2 O3 S -","- C124 H92 Cl12 N8 O12 S4 -","4","1","","Kayal, Satavisha; Mukherjee, Santanu","Catalytic enantioselective cascade Michael/cyclization reaction of 3-isothiocyanato oxindoles with exocyclic α,β-unsaturated ketones en route to 3,2'-pyrrolidinyl bispirooxindoles.","Organic & biomolecular chemistry","2016","14","43","10175","10179","10.1039/c6ob02187e","","","0.71073","MoKα","","0.0386","0.0325","","","0.0683","0.0705","","","","","","1.083","","","","has coordinates","188288","2020-10-21","18:00:00",""
"7155312","4.7439","0.0008","16.18","0.003","18.262","0.003","90","","90","","90","","1401.7","0.4","296","2","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Cl N2 O -","- C16 H13 Cl N2 O -","- C64 H52 Cl4 N8 O4 -","4","1","","Zhou, Hui; Deng, Xin Zhao; Zhang, Ai Hua; Tan, Ren Xiang","Visible-light-promoted synthesis of phenanthridines via an intermolecular isocyanide insertion reaction.","Organic & biomolecular chemistry","2016","14","44","10407","10414","10.1039/c6ob02113a","","","0.71073","MoKα","","0.1181","0.0446","","","0.0903","0.1179","","","","","","1.003","","","","has coordinates","190259","2020-10-21","18:00:00",""
"7155321","7.367","0.0003","12.1881","0.0003","21.7372","0.0005","90","","90","","90","","1951.78","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,1R,6R)-tert-butyl 6'-chloro-2'-oxo-6,6a-dihydro-1H-spiro[cyclopropa[a]indene-1,3'-indoline]-1'-carboxylate","","- C22 H19 Cl N O3 -","- C22 H19 Cl N O3 -","- C88 H76 Cl4 N4 O12 -","4","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","1.54184","CuKα","","0.0577","0.0474","","","0.1366","0.1482","","","","","","1.066","","","","has coordinates,has disorder","190260","2020-10-21","18:00:00",""
"7155322","11.3609","0.0003","11.3606","0.0003","14.5605","0.0004","90","","90","","90","","1879.27","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl N O3 -","- C21 H20 Cl N O3 -","- C84 H80 Cl4 N4 O12 -","4","1","","Chi, Yongjian; Qiu, Lihua; Xu, Xinfang","Highly enantioselective synthesis of spirocyclopropyloxindoles via a Rh(ii)-catalyzed asymmetric cyclopropanation reaction.","Organic & biomolecular chemistry","2016","14","44","10357","10361","10.1039/c6ob02160c","","","1.54184","CuKα","","0.0512","0.0478","","","0.1311","0.1361","","","","","","1.042","","","","has coordinates","190260","2020-10-21","18:00:00",""
"7155334","6.5842","0.001","10.527","0.003","14.581","0.003","90","","90","","90","","1010.6","0.4","295","2","295","2","","","","","","","Synthesized compound","4","P 21 21 21","P 2ac 2ab","19","","6-fluoro-3-phenyl-[1,2,4]triazolo[4,3-a]pyridine","","- C12 H8 F N3 -","- C12 H8 F N3 -","- C48 H32 F4 N12 -","4","1","","Inturi, Surendra Babu; Kalita, Biswajit; Ahamed, A. Jafar","I2-TBHP-catalyzed one-pot highly efficient synthesis of 4,3-fused 1,2,4-triazoles from N-tosylhydrazones and aromatic N-heterocycles via intermolecular formal 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2016","14","47","11061","11064","10.1039/c6ob01926a","","","0.71073","MoKα","","0.0634","0.0407","","","0.0668","0.0765","","","","","","0.984","","","","has coordinates","190268","2020-10-21","18:00:00",""
"7155337","10.2408","0.0011","11.0014","0.0012","17.5608","0.0019","90","","90","","90","","1978.5","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O5 S -","- C21 H24 O5 S -","- C84 H96 O20 S4 -","4","1","","Wang, Xuan; Sun, Wangbin; Zou, Jian-Ping; lin, guoqiang; Sun, Bingfeng","Asymmetric Total Synthesis of Hedyosumin E aglycon, 7,10-Epoxyhedyosminolide and ent-Zedolactone A","Org. Biomol. Chem.","2016","","","","","10.1039/C6OB02179D","","","0.71073","MoKα","","0.0316","0.0299","","","0.0785","0.0799","","","","","","1.039","","","","has coordinates","187546","2020-10-21","18:00:00",""
"7155339","9.3172","0.0002","18.6791","0.0004","29.1423","0.0005","90","","90","","90","","5071.84","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cyclo[(R)-Lac-1,4-Tri-Epa]3","","","- C40 H57 N15 O8.35 S5 -","- C40 H57 N15 O8.35 S5 -","- C160 H228 N60 O33.4 S20 -","4","1","","Mungalpara, Disha; Kelm, Harald; Valkonen, Arto; Rissanen, Kari; Keller, Sandro; Kubik, Stefan","Oxoanion binding to a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties.","Organic & biomolecular chemistry","2016","15","1","102","113","10.1039/c6ob02172g","","","1.54184","CuKα","","0.035","0.0327","","","0.0821","0.0843","","","","","","1.033","","","","has coordinates,has disorder","191751","2020-10-21","18:00:00",""
"7155340","9.9835","0.0014","12.2707","0.0016","23.46","0.003","90","","90","","90","","2874","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O6 -","- C31 H36 N2 O6 -","- C124 H144 N8 O24 -","4","1","","Tan, Yu; Feng, Er-Lu; Sun, Qiang-Sheng; Lin, Hua; Sun, Xun; Lin, Guo-Qiang; Sun, Xing-Wen","Enantioselective synthesis of spirooxindole benzoquinolizines via organo-catalyzed cascade reactions.","Organic & biomolecular chemistry","2017","15","4","778","781","10.1039/c6ob02157c","","","1.54178","CuKα","","0.1975","0.189","","","0.3905","0.401","","","","","","1.778","","","","has coordinates","191731","2020-10-21","18:00:00",""
"7155344","5.3124","0.0004","7.0459","0.0008","29.215","0.002","90","","90","","90","","1093.54","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Butyl 2-deoxy-3,6-anhydro-beta-D-arabinohexofuranoside","","- C10 H18 O5 -","- C10 H18 O5 -","- C40 H72 O20 -","4","1","","Zhang, Chenxi; Wang, Chengcheng; Wang, Zihao; Tanabe, Genzoh; Muraoka, Osamu; Lin, Aijun; Xu, Jinyi; Wu, Xiaoming; Wu, Liang; Xie, Weijia","Total synthesis, structural elucidation and anti-inflammatory activity evaluation of 2-deoxy-3,6-anhydro hexofuranoside derivatives isolated from Sauropus rostratus.","Organic & biomolecular chemistry","2016","14","46","10906","10913","10.1039/c6ob02207c","","","1.54178","CuKα","","0.0602","0.06","","","0.1604","0.1604","","","","","","1.107","","","","has coordinates","190253","2020-10-21","18:00:00",""
"7155349","12.104","0.002","34.297","0.007","7.195","0.0014","90","","90","","90","","2986.9","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H54 O4 -","- C32 H54 O4 -","- C128 H216 O16 -","4","1","","Chen, Dongyin; Zhang, Pu; Sun, Yan; Wang, Pengfei; Zhang, Can; Kong, Lingyi; Zhang, Ji; Sun, Hongbin; Wen, Xiaoan","Protonated montmorillonite-mediated highly specific isomerization of oleanolic acid esters: application to the synthesis of Δ(13(18))-CDDO-Me.","Organic & biomolecular chemistry","2016","14","47","11154","11161","10.1039/c6ob02126c","","","0.71073","MoKα","","0.1422","0.0789","","","0.1635","0.1978","","","","","","1.006","","","","has coordinates","190271","2020-10-21","18:00:00",""
"7155359","9.05634","0.00018","11.2038","0.0002","30.5045","0.0005","90","","90","","90","","3095.15","0.1","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Br N2 O7 S -","- C28 H35 Br N2 O7 S -","- C112 H140 Br4 N8 O28 S4 -","4","1","","Chowdhury, Raghunath; Kumar, Mukesh; Ghosh, Sunil K.","Organocatalyzed enantioselective Michael addition/cyclization cascade reaction of 3-isothiocyanato oxindoles with arylidene malonates.","Organic & biomolecular chemistry","2016","14","47","11250","11260","10.1039/c6ob02104b","","x-ray","1.54184","CuKα","","0.0622","0.0542","","","0.1486","0.1603","","","","","","1.054","","","","has coordinates","190269","2020-10-21","18:00:00",""
"7155360","7.1072","0.0005","13.7421","0.0011","27.891","0.002","90","","90","","90","","2724.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O4 Si -","- C29 H46 O4 Si -","- C116 H184 O16 Si4 -","4","1","","Dethe, Dattatraya H.; Dherange, Balu D.; Ali, Saghir; Parsutkar, Mahesh M.","Enantiospecific total syntheses of meroterpenoids (-)-F1839-I and (-)-corallidictyals B and D.","Organic & biomolecular chemistry","2016","15","1","65","68","10.1039/c6ob02322c","","","0.71073","MoKα","","0.0401","0.0345","","","0.0858","0.0937","","","","","","1.112","","","","has coordinates","191756","2020-10-21","18:00:00",""
"7155364","5.4842","0.0015","15.284","0.004","16.885","0.005","90","","90","","90","","1415.3","0.7","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-1-bromo-4-(2-nitro-1-(p-tolyl)ethyl)benzene","","- C15 H14 Br N O2 -","- C15 H14 Br N O2 -","- C60 H56 Br4 N4 O8 -","4","1","","Li, Ruikun; Wen, Zhongqing; Wu, Na","A nordehydroabietyl amide-containing chiral diene for rhodium-catalysed asymmetric arylation to nitroolefins.","Organic & biomolecular chemistry","2016","14","47","11080","11084","10.1039/c6ob02202b","","","0.71073","MoKα","","0.0521","0.0356","","","0.0811","0.0881","","","","","","1.03","","","","has coordinates","190275","2020-10-21","18:00:00",""
"7155376","7.4821","0.0004","13.9447","0.0009","14.9797","0.0012","90","","90","","90","","1562.92","0.18","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C56 H84 N4 O20 -","4","1","","Zhang, Zhijiang; Liu, Bo","Total synthesis and confirmation of the revised structures of jiangrines A, C and D.","Organic & biomolecular chemistry","2016","15","1","207","212","10.1039/c6ob02379g","","x-ray","0.71073","MoKα","","0.0786","0.0523","","","0.1052","0.121","","","","","","1.056","","","","has coordinates,has disorder","191754","2020-10-21","18:00:00",""
"7155380","6.3617","0.0003","10.0016","0.0003","20.4847","0.0007","90","","90","","90","","1303.38","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,4R,5R)-2,4,6,6-tetramethyloct-7-ene-3,5-diol","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0591","0.0523","","","0.1572","0.1639","","","","","","1.195","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155381","6.35866","0.00012","9.99503","0.00017","20.4733","0.0003","90","","90","","90","","1301.18","0.04","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,4S,5S)-2,4,6,6-tetramethyloct-7-ene-3,5-diol","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","x-ray","1.54184","CuKα","","0.0469","0.0433","","","0.1218","0.1282","","","","","","1.068","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155385","16.5936","0.0003","16.0072","0.0003","12.75162","0.00019","90","","90","","90","","3387.05","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5S,6S,7S)-5,7-bis((tert-butyldimethylsilyl)oxy)-4,4,6,8-tetramethylnon-1-en-3-yl acrylate","","- C28.15 H54.38 O4 Si2 -","- C28 H54 O4 Si2 -","- C112 H216 O16 Si8 -","4","1","","Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto","Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring.","Organic & biomolecular chemistry","2016","15","1","220","232","10.1039/c6ob01585a","","","1.54184","CuKα","","0.1042","0.0885","","","0.255","0.2637","","","","","","1.101","","","","has coordinates","191755","2020-10-21","18:00:00",""
"7155398","12.7749","0.0011","10.4901","0.001","9.508","0.0013","90","","90","","90","","1274.2","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C44 H68 N20 O8 -","4","1","","Van Mileghem, Seger; Egle, Brecht; Gilles, Philippe; Veryser, Cedrick; Van Meervelt, Luc; De Borggraeve, Wim M.","Carbonylation as a novel method for the assembly of pyrazine based oligoamide alpha-helix mimetics.","Organic & biomolecular chemistry","2017","15","2","373","378","10.1039/c6ob02358d","","x-ray","0.71073","MoKα","","0.0511","0.0393","","","0.0869","0.0945","","","","","","1.064","","","","has coordinates","191727","2020-10-21","18:00:00",""
"7155402","10.8402","0.0018","10.9776","0.0018","11.4168","0.0019","90","","90","","90","","1358.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O4 S -","- C15 H11 N O4 S -","- C60 H44 N4 O16 S4 -","4","1","","Wu, Hongxiang; Liu, Tingting; Cui, Ming; Li, Yue; Jian, Junsheng; Wang, Hui; Zeng, Zhuo","Rhodium-catalyzed C-H functionalization with N-acylsaccharins.","Organic & biomolecular chemistry","2017","15","3","536","540","10.1039/c6ob02526a","","","0.71073","MoKα","","0.0388","0.036","","","0.0868","0.0888","","","","","","1.071","","","","has coordinates","191735","2020-10-21","18:00:00",""
"7155412","7.0321","0.00018","8.4501","0.0002","40.7561","0.0011","90","","90","","90","","2421.81","0.11","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acetyl octahydroindole-2-carboxylic acid methyl ester","methyl (2S,3aS,7aS)-1-acetyloctahydro-1H-indole-2-carboxylate","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C96 H152 N8 O24 -","8","2","","Kubyshkin, Vladimir; Budisa, Nediljko","Construction of a polyproline structure with hydrophobic exterior using octahydroindole-2-carboxylic acid.","Organic & biomolecular chemistry","2017","15","3","619","627","10.1039/c6ob02306a","","x-ray","1.54184","CuKα","","0.0344","0.0333","","","0.0831","0.084","","","","","","1.083","","","","has coordinates","191740","2020-10-21","18:00:00",""
"7155414","6.2188","0.0009","9.282","0.0013","25.561","0.004","90","","90","","90","","1475.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 N O4 -","- C13 H23 N O4 -","- C52 H92 N4 O16 -","4","1","","Si, Chang-Mei; Shao, Lu-Ping; Mao, Zhuo-Ya; Zhou, Wen; Wei, Bang-Guo","An efficient approach to trans-4-hydroxy-5-substituted 2-pyrrolidinones through a stereoselective tandem Barbier process: divergent syntheses of (3R,4S)-statines, (+)-preussin and (-)-hapalosin.","Organic & biomolecular chemistry","2017","15","3","649","661","10.1039/c6ob02523d","","","0.71073","MoKα","","0.0519","0.044","","","0.1025","0.1062","","","","","","1.034","","","","has coordinates","191744","2020-10-21","18:00:00",""
"7155437","8.8657","0.0018","11.708","0.002","13.548","0.003","90","","90","","90","","1406.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Chen, Pengquan; Zhu, Chuanle; Zhu, Rui; Lin, Zhiming; Wu, Wanqing; Jiang, Huanfeng","Synthesis of 3-azabicyclo[3.1.0]hexane derivatives via palladium-catalyzed cyclopropanation of maleimides with N-tosylhydrazones: practical and facile access to CP-866,087.","Organic & biomolecular chemistry","2017","15","5","1228","1235","10.1039/c6ob02137a","","","0.71073","MoKα","","0.0972","0.0585","","","0.1521","0.2084","","","","","","1.04","","","","has coordinates","191750","2020-10-21","18:00:00",""
"7155438","7.25647","0.00018","13.0278","0.0004","17.2343","0.0005","90","","90","","90","","1629.26","0.08","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(P)-(+)-2-Aza(6)helicene","(P)-(+)-Benzo(5,6)phenanthro(3,4-h)isoquinoline","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Matsumoto, Arimasa; Yonemitsu, Kento; Ozaki, Hanae; Míšek, Jiří; Starý, Ivo; Stará, Irena G; Soai, Kenso","Reversal of the sense of enantioselectivity between 1- and 2-aza[6]helicenes used as chiral inducers of asymmetric autocatalysis.","Organic & biomolecular chemistry","2017","15","6","1321","1324","10.1039/c6ob02745h","","","1.54187","CuKα","","0.0734","0.0624","","","0.1559","0.1652","","","","","","1.064","","","","has coordinates","193896","2020-10-21","18:00:00",""
"7155439","7.29278","0.00013","12.9794","0.0002","17.3679","0.0003","90","","90","","90","","1643.97","0.05","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(M)-(-)-1-Aza(6)helicene","(M)-(-)‒Benzo(5,6)phenanthro(3,4-h)quinoline","","- C25 H15 N -","- C25 H15 N -","- C100 H60 N4 -","4","1","","Matsumoto, Arimasa; Yonemitsu, Kento; Ozaki, Hanae; Míšek, Jiří; Starý, Ivo; Stará, Irena G; Soai, Kenso","Reversal of the sense of enantioselectivity between 1- and 2-aza[6]helicenes used as chiral inducers of asymmetric autocatalysis.","Organic & biomolecular chemistry","2017","15","6","1321","1324","10.1039/c6ob02745h","","","1.54187","CuKα","","0.0478","0.0419","","","0.1093","0.1138","","","","","","1.065","","","","has coordinates","193896","2020-10-21","18:00:00",""
"7155440","5.2767","0.0002","8.2192","0.0003","29.2713","0.0011","90","","90","","90","","1269.5","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O3 -","- C15 H13 Br O3 -","- C60 H52 Br4 O12 -","4","1","","Ren, Qiao; Li, Muyao; Yuan, Lujiang","Expeditious assembly of fused dihydropyranones via N-heterocyclic carbene-catalyzed tandem Michael addition/lactonization.","Organic & biomolecular chemistry","2017","15","6","1329","1333","10.1039/c6ob02449a","","","0.71073","MoKα","","0.0244","0.0222","","","0.0501","0.0515","","","","","","1.056","","","","has coordinates","193891","2020-10-21","18:00:00",""
"7155462","5.5571","0.0002","5.6305","0.0002","32.3624","0.001","90","","90","","90","","1012.6","0.06","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Chloride substitute","(S)-1-(5-Chlorobenzofuran-2-yl)-2-nitroethanol","","- C10 H8 Cl N O4 -","- C10 H8 Cl N O4 -","- C40 H32 Cl4 N4 O16 -","4","1","","Chen, Wei; Zhou, Zhao-Hui; Chen, Hong-Bin","Efficient synthesis of chiral benzofuryl β-amino alcohols via a catalytic asymmetric Henry reaction.","Organic & biomolecular chemistry","2017","15","6","1530","1536","10.1039/c6ob02569b","","","1.54184","CuKα","","0.0232","0.0217","","","0.0544","0.0549","","","","","","1.046","","","","has coordinates","193888","2020-10-21","18:00:00",""
"7155467","10.415","0.002","11.469","0.002","15.047","0.003","90","","90","","90","","1797.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br N O5 -","- C19 H16 Br N O5 -","- C76 H64 Br4 N4 O20 -","4","1","","Manoni, Francesco; Farid, Umar; Trujillo, Cristina; Connon, Stephen J.","Catalytic asymmetric Tamura cycloadditions involving nitroalkenes.","Organic & biomolecular chemistry","2017","15","6","1463","1474","10.1039/c6ob02637k","","","0.71073","MoKα","","0.0448","0.0422","","","0.1096","0.1249","","","","","","0.885","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155468","4.8942","0.0004","13.6964","0.001","14.1713","0.0012","90","","90","","90","","949.94","0.13","294.44","0.1","294.44","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C52 H32 O8 -","4","1","","Tang, Jing; Zhao, Shijun; Wei, Yuanyuan; Quan, Zhengjun; Huo, Congde","CBr4 promoted intramolecular aerobic oxidative dehydrogenative arylation of aldehydes: application in the synthesis of xanthones and fluorenones.","Organic & biomolecular chemistry","2017","15","7","1589","1592","10.1039/c7ob00080d","","x-ray","0.71073","MoKα","","0.1181","0.0552","","","0.0992","0.1262","","","","","","1.06","","","","has coordinates","193898","2020-10-21","18:00:00",""
"7155478","5.9842","0.0001","9.104","0.0002","16.0223","0.0003","90","","90","","90","","872.9","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N O -","- C10 H13 N O -","- C40 H52 N4 O4 -","4","1","","Li, Ke; Wang, Juxiang; Wu, Kailin; Zheng, Daijun; Zhou, Xiaojian; Han, Wenyong; Wan, Nanwei; Cui, Baodong; Chen, Yongzheng","Enantioselective synthesis of 1,2,3,4-tetrahydroquinoline-4-ols and 2,3-dihydroquinolin-4(1H)-ones via a sequential asymmetric hydroxylation/diastereoselective oxidation process using Rhodococcus equi ZMU-LK19.","Organic & biomolecular chemistry","2017","15","17","3580","3584","10.1039/c7ob00151g","","","1.54178","CuKα","","0.0388","0.0387","","","0.1036","0.1036","","","","","","1.099","","","","has coordinates","196502","2020-10-21","18:00:00",""
"7155488","4.87924","0.00005","14.43858","0.00015","20.3657","0.0002","90","","90","","90","","1434.75","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Verhasselt, Sigrid; Roman, Bart I.; De Wever, Olivier; Van Hecke, Kristof; Van Deun, Rik; Bracke, Marc E.; Stevens, Christian V.","Discovery of (S)-3'-hydroxyblebbistatin and (S)-3'-aminoblebbistatin: polar myosin II inhibitors with superior research tool properties.","Organic & biomolecular chemistry","2017","15","9","2104","2118","10.1039/c7ob00006e","","x-ray","1.54184","CuKα","","0.0538","0.0477","","","0.1217","0.1282","","","","","","1.033","","","","has coordinates","193906","2020-10-21","18:00:00",""
"7155489","4.88084","0.00006","14.45507","0.00015","20.3743","0.0002","90","","90","","90","","1437.47","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Verhasselt, Sigrid; Roman, Bart I.; De Wever, Olivier; Van Hecke, Kristof; Van Deun, Rik; Bracke, Marc E.; Stevens, Christian V.","Discovery of (S)-3'-hydroxyblebbistatin and (S)-3'-aminoblebbistatin: polar myosin II inhibitors with superior research tool properties.","Organic & biomolecular chemistry","2017","15","9","2104","2118","10.1039/c7ob00006e","","x-ray","1.54184","CuKα","","0.0527","0.0498","","","0.1346","0.1386","","","","","","1.074","","","","has coordinates","193906","2020-10-21","18:00:00",""
"7155512","7.8117","0.001","12.6388","0.0016","16.816","0.002","90","","90","","90","","1660.3","0.4","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0476","0.0352","","","0.0775","0.0819","","","","","","1.051","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155513","7.8064","0.0014","12.6377","0.0019","16.783","0.003","90","","90","","90","","1655.7","0.5","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br O3 S -","- C17 H15 Br O3 S -","- C68 H60 Br4 O12 S4 -","4","1","","Shiely, Amy E.; Slattery, Catherine N.; Ford, Alan; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.","Enantioselective copper catalysed intramolecular C-H insertion reactions of α-diazo-β-keto sulfones, α-diazo-β-keto phosphine oxides and 2-diazo-1,3-diketones; the influence of the carbene substituent.","Organic & biomolecular chemistry","2017","15","12","2609","2628","10.1039/c7ob00214a","","","0.71073","MoKα","","0.0619","0.0401","","","0.0826","0.0895","","","","","","1.043","","","","has coordinates","195182","2020-10-21","18:00:00",""
"7155517","4.6462","0.0002","9.7488","0.0003","19.6719","0.0006","90","","90","","90","","891.04","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C44 H48 O8 -","4","1","","Ma, Fujie; Chen, Jingchao; Yang, Fan; Shinde, Madhuri Vikas; Zhou, Yongyun; Fan, Baomin","Palladium/zinc co-catalyzed asymmetric transfer hydrogenation of oxabenzonorbornadienes with alcohols as hydrogen sources.","Organic & biomolecular chemistry","2017","15","11","2359","2362","10.1039/c7ob00175d","","","1.54178","CuKα","","0.0461","0.0461","","","0.1384","0.1385","","","","","","1.203","","","","has coordinates","195179","2020-10-21","18:00:00",""
"7155528","6.953","0.0014","11.068","0.002","16.703","0.003","90","","90","","90","","1285.4","0.4","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0551","0.0418","","","0.0923","0.0992","","","","","","0.995","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155530","10.6735","0.0007","11.9007","0.0008","14.2306","0.0009","90","","90","","90","","1807.6","0.2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-((3r,5r,7r)-adamantan-1-yl)-6-(bromomethyl)-2-(tert-butoxy)-5,6-dihydro-4H-1,3-oxazine","","- C19 H30 Br N O2 -","- C19 H30 Br N O2 -","- C76 H120 Br4 N4 O8 -","4","1","","Kuznetsov, Nikolai Yu; Tikhov, Rabdan M.; Godovikov, Ivan A.; Medvedev, Michael G.; Lyssenko, Konstantin A.; Burtseva, Elena I.; Kirillova, Elena S.; Bubnov, Yuri N.","Stereoselective synthesis of novel adamantane derivatives with high potency against rimantadine-resistant influenza A virus strains.","Organic & biomolecular chemistry","2017","15","15","3152","3157","10.1039/c7ob00331e","","","0.71073","MoKα","","0.0379","0.0298","","","0.0651","0.068","","","","","","1.007","","","","has coordinates","196521","2020-10-21","18:00:00",""
"7155533","8.2056","0.0001","11.9665","0.0002","13.8857","0.0002","90","","90","","90","","1363.47","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(7S,8aS)-octahydro-5,5-dimethylindolizin-7-ol 9, acetic acid salt monohydrate","","- C12 H25 N O4 -","- C12 H25 N O4 -","- C48 H100 N4 O16 -","4","1","","Zhang, Jing; Kolluri, Rao; Alvarez, Salvador G.; Irving, Mark M.; Singh, Rajinder; Duncton, Matthew A. J.","Enantioselective synthesis of an octahydroindolizine (indolizidine) alcohol using an enzymatic resolution.","Organic & biomolecular chemistry","2017","15","14","2953","2961","10.1039/c7ob00192d","","","1.54178","CuKα","","0.0388","0.038","","","0.1016","0.1031","","","","","","1.079","","","","has coordinates","196512","2020-10-21","18:00:00",""
"7155553","5.6783","0.0002","18.1808","0.0007","34.1983","0.0014","90","","90","","90","","3530.5","0.2","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","2","","Lian, Xiao-Lei; Adili, Alafate; Liu, Bin; Tao, Zhong-Lin; Han, Zhi-Yong","Enantioselective [4 + 1] cycloaddition of ortho-quinone methides and bromomalonates under phase-transfer catalysis.","Organic & biomolecular chemistry","2017","15","17","3670","3673","10.1039/c7ob00484b","","","1.54184","CuKα","","0.0592","0.0542","","","0.1417","0.1465","","","","","","1.034","","","","has coordinates","196500","2020-10-21","18:00:00",""
"7155560","11.8441","0.0004","11.9103","0.0005","13.4579","0.0005","90","","90","","90","","1898.46","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O2 S -","- C21 H25 N O2 S -","- C84 H100 N4 O8 S4 -","4","1","","Chung, Min-Ching; Chan, Yung-Hsiang; Chang, Wen-Jung; Hou, Duen-Ren","Synthesis of 2,3-dihydro-1H-pyrroles by intramolecular cyclization of N-(3-butynyl)-sulfonamides.","Organic & biomolecular chemistry","2017","15","17","3783","3790","10.1039/c7ob00528h","","","0.71073","MoKα","","0.0544","0.0379","","","0.0808","0.0882","","","","","","1.027","","","","has coordinates","196501","2020-10-21","18:00:00",""
"7155562","7.199","0.003","13.738","0.005","30.836","0.012","90","","90","","90","","3050","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C160 H128 N16 O8 -","8","2","","Midya, Siba Prasad; Gopi, Elumalai; Satam, Nishikant; Namboothiri, Irishi N. N.","Synthesis of fused cyanopyrroles and spirocyclopropanes via addition of N-ylides to chalconimines.","Organic & biomolecular chemistry","2017","15","17","3616","3627","10.1039/c7ob00529f","","","0.71075","MoKα","","0.0625","0.0539","","","0.1276","0.1344","","","","","","1.017","","","","has coordinates","196504","2020-10-21","18:00:00",""
"7155567","9.68066","0.00015","12.6194","0.0002","18.5137","0.0004","90","","90","","90","","2261.71","0.07","200","1","200","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 F3 N O6 S -","- C22 H22 F3 N O6 S -","- C88 H88 F12 N4 O24 S4 -","4","1","","Espinosa, Miguel; Herrera, Jorge; Blay, Gonzalo; Cardona, Luz; Muñoz, M Carmen; Pedro, Jose R.","Copper-Catalysed Enantioselective Michael Addition of Malonic Esters to β-Trifluoromethyl-α,β-Unsaturated Imines","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00595D","","","0.71073","MoKα","","0.0565","0.0422","","","0.0894","0.0991","","","","","","1.028","","","","has coordinates","195258","2020-10-21","18:00:00",""
"7155570","5.5901","0.0001","10.1207","0.0002","40.4585","0.0008","90","","90","","90","","2288.97","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-Ethyl 4-(4-iodophenyl)-1-(4-methoxybenzyl)-2-methyl-1,4-dihydroquinoline-3-carboxylate","","- C27 H26 I N O3 -","- C27 H26 I N O3 -","- C108 H104 I4 N4 O12 -","4","1","","Hodík, Tomáš; Schneider, Christoph","Brønsted acid-catalyzed, enantioselective synthesis of 1,4-dihydroquinoline-3-carboxylates via in situ generated ortho-quinone methide imines.","Organic & biomolecular chemistry","2017","15","17","3706","3716","10.1039/c7ob00488e","","x-ray","0.71073","MoKα","","0.0298","0.0262","","","0.0496","0.0509","","","","","","1.052","","","","has coordinates","196503","2020-10-21","18:00:00",""
"7155601","9.0157","0.0009","14.404","0.0015","19.6135","0.0019","90","","90","","90","","2547.1","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl2 N3 O4 -","- C25 H33 Cl2 N3 O4 -","- C100 H132 Cl8 N12 O16 -","4","1","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1022","0.0843","","","0.2116","0.2285","","","","","","1.116","","","","has coordinates","196223","2020-10-21","18:00:00",""
"7155603","8.4007","0.0006","14.3494","0.001","26.2774","0.0017","90","","90","","90","","3167.6","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 Cl2 N3 O6 -","- C32 H37 Cl2 N3 O6 -","- C128 H148 Cl8 N12 O24 -","4","1","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1339","0.0961","","","0.2332","0.2546","","","","","","1.088","","","","has coordinates","196223","2020-10-21","18:00:00",""
"7155604","10.7729","0.0006","23.4747","0.0012","28.9321","0.0017","90","","90","","90","","7316.7","0.7","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 Cl2 N4 O7 S -","- C34 H42 Cl2 N4 O7 S -","- C272 H336 Cl16 N32 O56 S8 -","8","2","","Hernandez Rubio, Omayra; Borrego, Sara del Mazo; Marcos Monleon, Laura; Simon, Luis; Temprano, Álvaro G.; rodriguez moran, joaquin","A cleft type receptor which combines an oxyanion hole with electrostatic interactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00679A","","","1.54178","CuKα","","0.1695","0.1055","","","0.2699","0.3292","","","","","","1.004","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7155613","5.8639","0.0001","8.5853","0.0002","29.2551","0.0006","90","","90","","90","","1472.8","0.05","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","","Sheth, Vishal M.; Hong, Bor-Cherng; Lee, Gene-Hsiang","Enantioselective total synthesis of (+)-arborescidine C and related tetracyclic indole alkaloids using organocatalysis.","Organic & biomolecular chemistry","2017","15","16","3408","3412","10.1039/c7ob00473g","","","1.54178","CuKα","","0.0361","0.0354","","","0.0902","0.0909","","","","","","1.253","","","","has coordinates,has disorder","196255","2020-10-21","18:00:00",""
"7155627","9.6403","0.0005","16.1153","0.0008","16.1214","0.0008","90","","90","","90","","2504.6","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 O2 -","- C31 H34 O2 -","- C124 H136 O8 -","4","1","","Zhou, Tao; Li, Shenhuan; Huang, Ben; Li, Cao; Zhao, Yang; Chen, Jieqiong; Chen, Aoling; Xiao, Yuanjin; Liu, Lu; Zhang, Junliang","Phosphine-catalyzed Friedel‒Crafts reaction of naphthols with para-quinone methides: expedient access to triarylmethanes","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00911A","","","0.71073","MoKα","","0.0606","0.039","","","0.0844","0.0959","","","","","","1.039","","","","has coordinates","196684","2020-10-21","18:00:00",""
"7155633","9.5443","0.0001","19.2006","0.0002","20.0739","0.0002","90","","90","","90","","3678.67","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C184 H152 N24 O16 -","8","2","","Del Grosso, Alessandro; Galanopoulos, Lavrentis-Dimitrios; Chiu, Cookson K. C.; Clarkson, Guy J.; O′ Connor, Peter B.; Wills, Martin","Strained alkynes derived from 2,2′-dihydroxy-1,1′-biaryls; synthesis and copper-free cycloaddition with azides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00991G","","x-ray","1.54184","CuKα","","0.0407","0.0369","","","0.091","0.0938","","","","","","1.012","","","","has coordinates","196746","2020-10-21","18:00:00",""
"7155646","5.3006","0.0006","8.666","0.001","35.753","0.004","90","","90","","90","","1642.3","0.3","180","","180","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(1,1,2,2-tetrafluoro-2-(phenylthio)ethyl)-4-(p-tolyl)-1H-1,2,3-triazole","","- C17 H13 F4 N3 S -","- C17 H13 F4 N3 S -","- C68 H52 F16 N12 S4 -","4","1","","Voltrová, Svatava; Muselli, Mickaël; Filgas, Josef; Matoušek, Václav; Klepetářová, Blanka; Beier, Petr","Synthesis of tetrafluoroethylene- and tetrafluoroethyl-containing azides and their 1,3-dipolar cycloaddition as synthetic application","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01151B","","x-ray","1.54178","CuKα","","0.0773","0.0621","","0.0679","0.0587","0.0587","","","","","","0.9687","","","","has coordinates","196786","2020-10-21","18:00:00",""
"7155651","9.6118","0.0005","9.9839","0.0005","26.2874","0.0014","90","","90","","90","","2522.6","0.2","293","0.1","293","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Cl F3 N3 O7 S -","- C24 H17 Cl F3 N3 O7 S -","- C96 H68 Cl4 F12 N12 O28 S4 -","4","1","","Zhu, Yuanyuan; Li, Boyu; Wang, Cui; Dong, Zhenghao; Zhong, Xiaoling; Wang, Kairong; Yan, Wenjin; Wang, Rui","Asymmetric Synthesis of CF3-Containing Tetrahydroquinoline via Thiourea-Catalyzed Cascade Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01013C","","","0.7107","MoKα","","0.0664","0.0486","","","0.0949","0.1086","","","","","","1.062","","","","has coordinates","196788","2020-10-21","18:00:00",""
"7155652","9.9489","0.0007","10.0773","0.0005","51.389","0.003","90","","90","","90","","5152.2","0.5","292.65","0.16","292.65","0.16","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Br F3 N3 O7 S -","- C24 H17 Br F3 N3 O7 S -","- C192 H136 Br8 F24 N24 O56 S8 -","8","2","","Zhu, Yuanyuan; Li, Boyu; Wang, Cui; Dong, Zhenghao; Zhong, Xiaoling; Wang, Kairong; Yan, Wenjin; Wang, Rui","Asymmetric Synthesis of CF3-Containing Tetrahydroquinoline via Thiourea-Catalyzed Cascade Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01013C","","","0.7107","MoKα","","0.1158","0.0683","","","0.1196","0.149","","","","","","1.053","","","","has coordinates","196788","2020-10-21","18:00:00",""
"7155666","8.2625","0.0004","9.6405","0.0004","17.8895","0.0007","90","","90","","90","","1424.98","0.11","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 F9 O4 -","- C11 H11 F9 O4 -","- C44 H44 F36 O16 -","4","1","","Silvestri, Anthony Paul; Dawson, Philip Edward","Base-catalyzed Diastereoselective Trimerization of Trifluoroacetone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01094J","","x-ray","0.71073","MoKα","","0.0352","0.031","","","0.0741","0.0774","","","","","","1.055","","","","has coordinates","197558","2020-10-21","18:00:00",""
"7155668","6.3866","0.0001","10.6043","0.0002","19.7027","0.0003","90","","90","","90","","1334.37","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 -","- C13 H19 N O5 -","- C52 H76 N4 O20 -","4","1","","Moloney, Mark G.; Josa-Cullere, Laia; Towers, Christopher; Willenbrock, Frances; Macauley, Valentine; Christensen, Kirsten","Synthesis and bioactivity of fused- and spiro‒lactone-lactam systems","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01148B","","","1.5418","CuKα","","0.028","0.0263","","0.0669","0.0655","0.0669","","","","","","1.0034","","","","has coordinates","197559","2020-10-21","18:00:00",""
"7155688","8.624","0.003","9.752","0.004","26.737","0.01","90","","90","","90","","2248.6","1.5","293","2","293","2","","","","","","","organic synthesis","5","P 21 21 21","P 2ac 2ab","19","(2R,3S)-3-(3-chlorophenyl)-3'-methyl-1'-phenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","(2R,3S)-3-(3-chlorophenyl)-3'-methyl-1'-phenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","","- C26 H17 Cl N2 O4 -","- C26 H17 Cl N2 O4 -","- C104 H68 Cl4 N8 O16 -","4","1","","Xia, Ai-Bao; Zhang, Xiao-Long; Tang, Chengke; Feng, Kai-Xiang; Du, Xiao-Hua; Xu, Danqian","One-pot Asymmetric Synthesis of Spiro[dihydrofurocoumarin/ pyrazolone] Scaffolds by Michael Addition/I2-Mediated Cyclization Sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00986K","","","0.71073","MoKα","","0.1508","0.1238","","","0.2984","0.3136","","","","","","1.138","","","","has coordinates","197878","2020-10-21","18:00:00",""
"7155690","8.3497","0.0011","9.7735","0.0013","27.653","0.004","90","","90","","90","","2256.6","0.5","293","2","293","2","","","","","","","organic synthesis","4","P 21 21 21","P 2ac 2ab","19","(2R,3S)-3'-ethyl-1',3-diphenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","(2R,3S)-3'-ethyl-1',3-diphenyl-3H,4H-spiro[furo[3,2-c]chromene-2,4'-pyrazole]-4,5'(1'H)-dione","","- C27 H20 N2 O4 -","- C27 H20 N2 O4 -","- C108 H80 N8 O16 -","4","1","","Xia, Ai-Bao; Zhang, Xiao-Long; Tang, Chengke; Feng, Kai-Xiang; Du, Xiao-Hua; Xu, Danqian","One-pot Asymmetric Synthesis of Spiro[dihydrofurocoumarin/ pyrazolone] Scaffolds by Michael Addition/I2-Mediated Cyclization Sequence","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB00986K","","","0.71073","MoKα","","0.0616","0.0435","","","0.0934","0.1012","","","","","","1.02","","","","has coordinates","197878","2020-10-21","18:00:00",""
"7155692","9.9836","0.0008","11.1199","0.0009","12.6582","0.0011","90","","90","","90","","1405.3","0.2","298","1","298","1","","","","","","","Botrytis cinerea fungus","3","P 21 21 21","P 2ac 2ab","19","","presilphiperfolan-8,10,14-triol","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Franco dos Santos, Gabriel; Moraga, Javier; Takahashi, Jacqueline A.; Viaud, Muriel; Hanson, James R.; Hern�ndez- Gal�n, Rosario; Collado, I. G.","The formation of sesquiterpenoid presilphiperfolane and cameroonane metabolites in the Bcbot4 null mutant of Botrytis cinerea","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01088E","","","0.71073","MoKα","","0.0578","0.0465","","","0.1074","0.115","","","","","","1.05","","","","has coordinates","197880","2020-10-21","18:00:00",""
"7155693","8.8617","0.0007","13.1073","0.0012","28.6","0.002","90","","90","","90","","3322","0.5","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","isopropyl (S,Z)-2-((tert-butylsulfinyl)imino)-2-(4-fluorophenyl)acetate","","- C15 H20 F N O3 S -","- C15 H20 F N O3 S -","- C120 H160 F8 N8 O24 S8 -","8","2","","Wei, qiaoling; Zhang, Feng; zhao, xiaofang; Wang, Chao; Xiao, Jianling; Tang, Weijun","Ru-catalyzed highly diastereoselective hydrogenation of N-tert-butylsulfinyl ketimines for the synthesis of aryl glycine derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01329A","","x-ray","0.71073","MoKα","","0.0685","0.0546","","","0.107","0.1165","","","","","","1.045","","","","has coordinates","197881","2020-10-21","18:00:00",""
"7155742","10.585","0.002","17.682","0.004","21.378","0.004","90","","90","","90","","4001.2","1.4","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3R)-1'-Benzyl-3-(4-bromophenyl)-3H-spiro[furan-2,3'-indoline]-2',5(4H)-dione","","- C24 H18 Br N O3 -","- C24 H18 Br N O3 -","- C192 H144 Br8 N8 O24 -","8","2","","Ming, Sheng; Zhao, Bo-Liang; Du, Da-Ming","Chiral squaramide-catalysed enantioselective Michael/cyclization cascade reaction of 3-hydroxyoxindoles with α,β-unsaturated N-acylated succinimides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01307H","","","0.71073","MoKα","","0.0504","0.0453","","","0.0928","0.0956","","","","","","1.099","","","","has coordinates","198451","2020-10-21","18:00:00",""
"7155779","8.269","0.005","16.049","0.005","18.529","0.005","90","0.005","90","0.005","90","0.005","2459","1.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl N O3 Se -","- C28 H26 Cl N O3 Se -","- C112 H104 Cl4 N4 O12 Se4 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","“On water” catalytic enantioselective sulfenylation of deconjugated butyrolactams","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01714F","","","0.71073","MoKα","","0.0328","0.0263","","","0.0649","0.0751","","","","","","1.124","","","","has coordinates","198823","2020-10-21","18:00:00",""
"7155780","8.373","0.004","11.816","0.005","25.567","0.012","90","","90","","90","","2529","2","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl N O3 S -","- C28 H26 Cl N O3 S -","- C112 H104 Cl4 N4 O12 S4 -","4","1","","Singha Roy, Soumya Jyoti; Mukherjee, Santanu","“On water” catalytic enantioselective sulfenylation of deconjugated butyrolactams","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01714F","","","0.71073","MoKα","","0.0988","0.0475","","","0.0803","0.0939","","","","","","1.023","","","","has coordinates","198823","2020-10-21","18:00:00",""
"7155784","13.4025","0.001","15.8388","0.0012","16.5989","0.0013","90","","90","","90","","3523.6","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","2a-BPh4","","- C41 H46 B N O2 -","- C41 H46 B N O2 -","- C164 H184 B4 N4 O8 -","4","1","","Tayama, Eiji; Watanabe, Kazutoshi; Sotome, Sho","Structural and mechanistic studies of the base-induced Sommelet‒Hauser rearrangement of N-α-branched benzylic azetidine-2-carboxylic acid-derived ammonium salts","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01391D","","x-ray","0.71073","MoKα","","0.0805","0.0442","","","0.0939","0.1085","","","","","","1.014","","","","has coordinates","199036","2020-10-21","18:00:00",""
"7155798","5.8423","0.0006","10.7141","0.001","17.775","0.0018","90","","90","","90","","1112.63","0.19","150.35","","150.35","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C60 H40 O12 -","4","1","","Cheng, Yuyu; Zhang, Pengfei; Jia, Yanwen; Fang, Zhiqiang; Li, Pengfei","Organocatalytic condensation‒ring opening‒annulation cascade reactions between N-Bocindolin-2-ones/benzofuran-2(3H)-ones and salicylaldehydes for synthesis of 3-arylcoumarins","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01730H","","x-ray","0.71073","MoKα","","0.0483","0.0412","","","0.099","0.1029","","","","","","1.05","","","","has coordinates","199511","2020-10-21","18:00:00",""
"7155813","5.8155","0.0002","11.5974","0.0003","31.3321","0.001","90","","90","","90","","2113.18","0.11","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-[2-(4-Chlorophenyl)-2-oxoethyl]- 7,7-dimethyl-4-phenyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione","","- C25 H23 Cl O4 -","- C25 H23 Cl O4 -","- C100 H92 Cl4 O16 -","4","1","","Kowalczyk, Dorota; Albrecht, Lukasz","Organocatalytic cis-Selective Approach to Bicyclic δ-Lactones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01570D","","x-ray","1.54184","CuKα","","0.0686","0.0615","","","0.1553","0.1593","","","","","","1.097","","","","has coordinates","199729","2020-10-21","18:00:00",""
"7155830","7.4726","0.0006","20.1154","0.0016","23.4601","0.0019","90","","90","","90","","3526.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H58 O3 Si2 -","- C31 H58 O3 Si2 -","- C124 H232 O12 Si8 -","4","1","","Guillade, Lucía; Gónzalez Pérez, Adán B; R. de LERA, Angel","Synthesis of the Octahydronaphthalene Core of Nahuoic Acid A via a B(C6F5)3-Catalyzed Intramolecular Diels-Alder (IMDA) Reaction","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01665D","","","1.54178","CuKα","","0.0863","0.0701","","","0.1881","0.2039","","","","","","1.039","","","","has coordinates","199835","2020-10-21","18:00:00",""
"7155852","9.0736","0.0013","10.7768","0.0012","21.461","0.003","90","","90","","90","","2098.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-methyl-2-oxo-5-((E)-(2-oxo-4,8b-dihydro-2H-indeno[1,2-b]furan-3(3aH)-ylidene) methoxy)-2,5-dihydro-1H-pyrrole-1-carboxylate","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C88 H92 N4 O24 -","4","1","","Prandi, Cristina; Lombardi, Chiara; Artuso, Emma; LOLLI, Marco Lucio Lucio; Grandi, Eleonora; Priola, Emanuele; Spyrakis, Francesca","Recent Advances in the Synthesis of Analogues of Phytohormones Strigolactones with Ring-Closing Metathesis as a Key Step","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01917C","","","1.54184","CuKα","","0.108","0.0522","","","0.0999","0.1247","","","","","","1.033","","","","has coordinates","200021","2020-10-21","18:00:00",""
"7155879","5.9545","0.0007","12.1404","0.0009","28.388","0.002","90","","90","","90","","2052.2","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C92 H92 Cl4 N8 O8 -","4","1","","Pan, Subhas Chandra; Maity, Rajendra","Enantioselective Aminocatalytic Synthesis of Tetrahydropyrano [2,3-c]Pyrazoles via Domino Michael-Hemiacetalization Reaction with Alkylidene Pyrazolones","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02170D","","","0.71073","MoKα","","0.2029","0.1216","","","0.2518","0.3503","","","","","","1.081","","","","has coordinates","200880","2020-10-21","18:00:00",""
"7155885","8.75356","0.00007","8.85744","0.00005","24.746","0.0002","90","","90","","90","","1918.66","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Jackson, Mark; O'Broin, Calvin Quince; Müller-Bunz, Helge; Guiry, Patrick J.","Enantioselective synthesis of sterically hindered α-allyl‒α-aryl oxindoles via palladium-catalysed decarboxylative asymmetric allylic alkylation","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02161E","","","1.54184","CuKα","","0.0309","0.0287","","","0.0711","0.0729","","","","","","1.041","","","","has coordinates","201021","2020-10-21","18:00:00",""
"7155888","5.8282","0.0001","12.018","0.0002","24.9007","0.0003","90","","90","","90","","1744.13","0.05","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","(Z)-4-Allyl-N-butyl-3-phenyl-1H-isochromen-1-imine","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","","Alvarez, Rosana; Vilar, Unai; Madich, Youssef; Aurrecoechea, Jose M.","On the Regiochemical Differences between Pd-Catalyzed Heterocyclization-Allylation and -Arylation Reactions of Alkynylbenzamides: Preparation of 4-Allyl-isochromen-1-imines and Computational Study","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02117H","","x-ray","1.54184","","","0.0357","0.0339","","","0.0852","0.087","","","","","","1.038","","","","has coordinates","201196","2020-10-21","18:00:00",""
"7155890","10.371","0.0002","11.8296","0.0003","13.3226","0.0003","90","","90","","90","","1634.48","0.06","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Uroos, Maliha; Pitt, Phillip; Harwood, Laurence Marius; Lewis, William; Blake, Alexander J.; Hayes, Christopher J. J","Total synthesis of (‒)-aritasone via the ultra-high pressure hetero-Diels-Alder dimerisation of (‒)-pinocarvone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02204B","","x-ray","1.54184","CuKα","","0.0282","0.0278","","","0.0751","0.0754","","","","","","1.052","","","","has coordinates","201341","2020-10-21","18:00:00",""
"7155891","6.6086","0.0003","9.9529","0.0005","25.6799","0.0013","90","","90","","90","","1689.09","0.14","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Uroos, Maliha; Pitt, Phillip; Harwood, Laurence Marius; Lewis, William; Blake, Alexander J.; Hayes, Christopher J. J","Total synthesis of (‒)-aritasone via the ultra-high pressure hetero-Diels-Alder dimerisation of (‒)-pinocarvone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02204B","","","0.71073","MoKα","","0.0607","0.0502","","","0.0924","0.0988","","","","","","1.063","","","","has coordinates","201341","2020-10-21","18:00:00",""
"7155892","6.2525","0.0006","10.9938","0.001","24.717","0.002","90","","90","","90","","1699","0.3","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Uroos, Maliha; Pitt, Phillip; Harwood, Laurence Marius; Lewis, William; Blake, Alexander J.; Hayes, Christopher J. J","Total synthesis of (‒)-aritasone via the ultra-high pressure hetero-Diels-Alder dimerisation of (‒)-pinocarvone","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02204B","","","0.71073","MoKα","","0.059","0.0553","","","0.1194","0.1211","","","","","","1.184","","","","has coordinates","201341","2020-10-21","18:00:00",""
"7155905","10.3304","0.0005","11.1679","0.0005","24.5971","0.0012","90","","90","","90","","2837.7","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 Br N O4 -","- C32 H36 Br N O4 -","- C128 H144 Br4 N4 O16 -","4","1","","Li, Wenjun; Zhang, Lili; Liu, Yang; Liu, Kun; Liu, Zhantao; He, Ningning","Asymmetric synthesis of dihydrocoumarins via organocatalytic hetero-Diels-Alder reaction of ortho-quinone methides","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02325A","","","0.71073","MoKα","","0.0396","0.0337","","","0.0815","0.0848","","","","","","1.038","","","","has coordinates","201548","2020-10-21","18:00:00",""
"7155920","8.962","0.003","9.634","0.005","20.046","0.011","90","","90","","90","","1730.8","1.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl 1-(2-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C76 H68 N12 O16 -","4","1","","Sen, Subhabrata; Chauhan, Jyoti; Luthra, Tania; Gundla, Rambabu; Ferraro, Antonio; Holzgrabe, Ulrike","A diversity oriented synthesis of natural product inspired molecular libraries","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02230A","","","0.71073","MoKα","","0.0689","0.0483","","","0.1121","0.1345","","","","","","1.092","","","","has coordinates","201909","2020-10-21","18:00:00",""
"7155921","5.7984","0.0001","7.8542","0.0002","33.8291","0.0008","90","","90","","90","","1540.64","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","benzyl 6-deoxy-2,3-O-(1-methylethylidene)-?-D-mannofuranoside","","- C16 H22 O5 -","- C16 H22 O5 -","- C64 H88 O20 -","4","1","","Mirabella, Stefania; Fibbi, Giulia; Matassini, Camilla; Faggi, Cristina; Goti, Andrea; Cardona, Francesca","Accessing 2-substituted piperidine iminosugars by organometallic addition/intramolecular reductive amination: aldehyde vs nitrone route","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01848G","","x-ray","1.54178","CuKα","","0.0576","0.0497","","","0.1229","0.1323","","","","","","1.149","","","","has coordinates","201938","2020-10-21","18:00:00",""
"7155922","5.5","0.0002","9.816","0.0003","18.586","0.0006","90","","90","","90","","1003.42","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3R,4S,5R)-3-hydroxy-4,5-O-(1-methylethylidene)-2-methyl-piperidine","","- C9 H17 N O3 -","- C9 H17 N O3 -","- C36 H68 N4 O12 -","4","1","","Mirabella, Stefania; Fibbi, Giulia; Matassini, Camilla; Faggi, Cristina; Goti, Andrea; Cardona, Francesca","Accessing 2-substituted piperidine iminosugars by organometallic addition/intramolecular reductive amination: aldehyde vs nitrone route","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB01848G","","x-ray","1.54178","CuKα","","0.0541","0.0384","","","0.0828","0.0882","","","","","","0.984","","","","has coordinates","201938","2020-10-21","18:00:00",""
"7155930","10.8476","0.0003","17.322","0.0004","37.2345","0.0009","90","","90","","90","","6996.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 N5 O8 -","- C38 H41 N5 O8 -","- C304 H328 N40 O64 -","8","2","","Kicsák, Máté; Mándi, Attila; Varga, Szabolcs; Herczeg, Mihály; Batta, Gyula; Bényei, Attila; Borbás, Anikó; Herczegh, Pál","Tricyclanos: conformationally constrained nucleoside analogues with a new heterotricycle obtained from a d-ribofuranose unit.","Organic & biomolecular chemistry","2018","16","3","393","401","10.1039/c7ob02296d","","","1.54184","CuKα","","0.0862","0.0669","","","","0.1861","","","","","","1.046","","","","has coordinates","230883","2020-10-21","18:00:00",""
"7155931","6.1907","0.0001","15.2739","0.0003","17.2701","0.0003","90","","90","","90","","1632.99","0.05","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br2 N O2 -","- C17 H15 Br2 N O2 -","- C68 H60 Br8 N4 O8 -","4","1","","Jiang, Hua-Jie; Liu, Kun; Wang, Jing; Li, Na; Yu, Jie","Brønsted Acids of Anionic Chiral Co(III) Complexes as Catalysts for the Stereoselective Synthesis of cis-4-Aminofuranobenzopyrans","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02452E","","","1.54184","CuKα","","0.0472","0.0466","","","0.1233","0.1244","","","","","","1.059","","","","has coordinates","202146","2020-10-21","18:00:00",""
"7155933","7.4367","0.0005","11.0255","0.0008","13.3188","0.0009","90","","90","","90","","1092.05","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Liu, Shuai; Zu, Weisai; Zhang, Jinli; Xu, Liang","Chemoselective N-arylation of Aminobenzamides via Copper Catalysed Chan−Evans−Lam Reactions","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02491F","","","0.71073","MoKα","","0.0454","0.0363","","","0.0931","0.1019","","","","","","0.832","","","","has coordinates","205752","2020-10-21","18:00:00",""
"7155934","8.683","0.00016","10.2079","0.0002","27.0713","0.0006","90","","90","","90","","2399.47","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Cu(DPA-Ph)(H2O)(OTf)](OTf)","","","- C20 H19 Cu F6 N3 O7 S2 -","- C20 H19 Cu F6 N3 O7 S2 -","- C80 H76 Cu4 F24 N12 O28 S8 -","4","1","","Wang, Yang; Liu, Haixiong; Zhang, Xiaofeng; Zhang, Zilong; Huang, Deguang","Experimental and mechanistic insights into copper(ii)‒dioxygen catalyzed oxidative N-dealkylation of N-(2-pyridylmethyl)phenylamine and its derivatives","Org. Biomol. Chem.","2017","","","","","10.1039/C7OB02192E","","","1.54184","CuKα","","0.0251","0.0232","","","0.0589","0.0602","","","","","","1.033","","","","has coordinates","202265","2020-10-21","18:00:00",""
"7155969","10.3732","0.0004","16.8818","0.0004","35.8766","0.0011","90","","90","","90","","6282.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N2 O10 -","- C30 H44 N2 O10 -","- C240 H352 N16 O80 -","8","2","","Chiu, Din-Chi; Lin, Tzu-Chen; Huang, Wen-I; Cheng, Ting-Jen R.; Tsai, Keng-Chang; Fang, Jim-Min","Peramivir analogues bearing hydrophilic side chains exhibit higher activities against H275Y mutant than wild-type influenza virus","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02374J","","","1.54178","CuKα","","0.1223","0.0798","","","0.212","0.2541","","","","","","1.175","","","","has coordinates","203035","2020-10-21","18:00:00",""
"7155971","8.1745","0.0005","10.1237","0.0006","20.5314","0.0012","90","","90","","90","","1699.1","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 F3 N O2 S -","- C15 H22 F3 N O2 S -","- C60 H88 F12 N4 O8 S4 -","4","1","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0312","0.0298","","","0.0751","0.076","","","","","","1.056","","","","has coordinates","203101","2020-10-21","18:00:00",""
"7155974","9.071","0.005","16.862","0.005","19.003","0.005","90","0.005","90","0.005","90","0.005","2907","2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 F3 N O S -","- C11 H22 F3 N O S -","- C88 H176 F24 N8 O8 S8 -","8","2","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0246","0.0231","","","0.0594","0.0601","","","","","","1.05","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155975","11.039","0.005","12.316","0.005","21.359","0.005","90","0.005","90","0.005","90","0.005","2903.9","1.9","101","2","101","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 F3 N O2 S -","- C11 H20 F3 N O2 S -","- C88 H160 F24 N8 O16 S8 -","8","2","","Grellepois, Fabienne; Ben Jamaa, Abdelkhalek; Saraiva Rosa, Nathalie","α-Trifluoromethylated tertiary homoallylic amines: diastereoselective synthesis and conversion into β-aminoesters, γ- and δ-aminoalcohols, azetidines and pyrrolidines","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02506H","","","1.54178","CuKα","","0.0539","0.0479","","","0.113","0.1171","","","","","","1.063","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7155978","7.9929","0.0004","9.2895","0.0005","54.987","0.004","90","","90","","90","","4082.8","0.4","100","0.1","100","0.1","","","","","","","Physalis pubescens","3","P 21 21 21","P 2ac 2ab","19","","Withapubeside A","","- C41 H67 O16 -","- C41 H67 O16 -","- C164 H268 O64 -","4","1","","Xia, Guiyang; Yao, Tie; Zhang, Bing-Yang; Li, Yang; Kang, Ning; Cao, Shijie; Ding, Liqin; Chen, Lixia; Qiu, Feng","Withapubesides A‒D, natural inducible nitric oxide synthase (iNOS) inhibitors from Physalis pubescens","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02551C","","x-ray","1.54184","CuKα","","0.0876","0.0756","","","0.1749","0.1829","","","","","","1.077","","","","has coordinates,has disorder","203145","2020-10-21","18:00:00",""
"7155979","8.5061","0.0002","15.9215","0.0004","9.6417","0.0002","90","","90","","90","","1305.77","0.05","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N O3 -","- C6 H9 N O3 -","- C48 H72 N8 O24 -","8","2","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0404","0.036","","","0.0952","0.0977","","","","","","1.081","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155980","7.3112","0.0002","12.3133","0.0003","13.9596","0.0003","90","","90","","90","","1256.71","0.05","130.01","0.1","130.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O6 -","- C13 H12 N2 O6 -","- C52 H48 N8 O24 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0467","0.0379","","","0.1008","0.1077","","","","","","1.083","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155982","5.9489","0.0001","8.1059","0.0001","22.3033","0.0004","90","","90","","90","","1075.49","0.03","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","1.54184","CuKα","","0.0287","0.0285","","","0.0715","0.0716","","","","","","1.05","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155983","6.7738","0.0002","11.4773","0.0003","14.8982","0.0004","90","","90","","90","","1158.26","0.06","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","1.54184","CuKα","","0.033","0.0298","","","0.0759","0.0795","","","","","","1.068","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155985","5.6704","0.0002","15.6773","0.0006","9.7844","0.0003","90","","90","","90","","869.8","0.05","130.01","0.1","130.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","x-ray","0.71073","MoKα","","0.0476","0.0401","","","0.1068","0.1112","","","","","","1.071","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155986","6.27","0.0013","9.456","0.0019","23.6","0.005","90","","90","","90","","1399.2","0.5","100","0.1","100","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N3 O8 -","- C13 H11 N3 O8 -","- C52 H44 N12 O32 -","4","1","","Alhifthi, Amani; Harris, Benjamin L.; Goerigk, Lars; White, Jonathan; Williams, Spencer J.","Structure-reactivity correlations of the abnormal Beckmann reaction of dihydrolevoglucosenone oxime","Organic & Biomolecular Chemistry","2017","","","","","10.1039/C7OB02499A","","","0.71073","synchrotron","","0.0368","0.0339","","","0.0881","0.0906","","","","","","1.081","","","","has coordinates","203212","2020-10-21","18:00:00",""
"7155991","6.32903","0.00009","8.54815","0.00013","23.7167","0.0004","90","","90","","90","","1283.11","0.03","99.97","0.12","99.97","0.12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0306","0.0297","","","0.0735","0.0743","","","","","","1.025","","","","has coordinates","230638","2020-10-21","18:00:00",""
"7155993","6.38939","0.00011","7.59037","0.00013","26.8562","0.0005","90","","90","","90","","1302.47","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 -","- C14 H17 N O4 -","- C56 H68 N4 O16 -","4","1","","Osorio-Nieto, Urbano; Vázquez-Amaya, Laura Y; Höpfl, Herbert; Quintero, Leticia; Sartillo-Piscil, Fernando","The direct and highly diastereoselective synthesis of 3,4-epoxy-2-piperidones. Application to the total synthesis and absolute configurational assignment of 3α,4α-epoxy-5β-pipermethystine.","Organic & biomolecular chemistry","2017","16","1","77","88","10.1039/c7ob02700a","","x-ray","1.54184","CuKα","","0.0308","0.0304","","","0.078","0.0785","","","","","","1.07","","","","has coordinates","230638","2020-10-21","18:00:00",""
"7156003","7.2037","0.0011","10.9197","0.0017","23.762","0.004","90","","90","","90","","1869.2","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O4 Si -","- C17 H28 O4 Si -","- C68 H112 O16 Si4 -","4","1","","Ojo, O. Stephen; Nardone, Brunello; Musolino, Stefania F.; Neal, Andrew R.; Wilson, Liam; Lebl, Tomas; Slawin, Alexandra M. Z.; Cordes, David B.; Taylor, James E.; Naismith, James H.; Smith, Andrew D.; Westwood, Nicholas J.","Synthesis of the natural product descurainolide and cyclic peptides from lignin-derived aromatics.","Organic & biomolecular chemistry","2018","16","2","266","273","10.1039/c7ob02697h","","","1.54187","CuKα","","0.0542","0.0533","","","0.1337","0.1349","","","","","","1.087","","","","has coordinates,has disorder","230715","2020-10-21","18:00:00",""
"7156009","6.6297","0.0015","15.443","0.004","20.287","0.005","90","","90","","90","","2077","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Br N O2 -","- C24 H20 Br N O2 -","- C96 H80 Br4 N4 O8 -","4","1","","Guo, Tao; Yuan, Bin-Hua; Liu, Wen-Jie","Highly efficient asymmetric construction of novel indolines and tetrahydroquinoline derivatives via aza-Barbier/C-N coupling reaction.","Organic & biomolecular chemistry","2017","16","1","57","61","10.1039/c7ob02891a","","","0.71073","MoKα","","0.0516","0.0308","","","0.0653","0.0721","","","","","","1.009","","","","has coordinates","230641","2020-10-21","18:00:00",""
"7156013","5.5664","0.0003","8.8236","0.0005","28.6221","0.0019","90","","90","","90","","1405.79","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Ruvinskaya, Julia O.; Rostovskii, Nikolai V.; Filippov, Ilya P.; Khlebnikov, Alexander F.; Novikov, Mikhail S.","A novel approach to 5H-pyrazino[2,3-b]indoles via annulation of 3-diazoindolin-2-imines with 2H-azirines or 5-alkoxyisoxazoles under Rh(ii) catalysis.","Organic & biomolecular chemistry","2017","16","1","38","42","10.1039/c7ob02637d","","","0.71073","MoKα","","0.0505","0.0419","","","0.0891","0.0924","","","","","","1.07","","","","has coordinates","230639","2020-10-21","18:00:00",""
"7156022","10.1637","0.0004","17.2472","0.0005","25.5023","0.0009","90","","90","","90","","4470.4","0.3","219.9","","219.9","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H55 Cl6 N5 O8 -","- C33 H55 Cl6 N5 O8 -","- C132 H220 Cl24 N20 O32 -","4","1","","Lee, Jaeyeon; Shim, Jihyun; Kang, Philjae; Choi, Moon-Gun; Choi, Soo Hyuk","Side chain-specific 11/9-helix propensity of α/β-peptides with alternating residue types.","Organic & biomolecular chemistry","2018","16","3","433","438","10.1039/c7ob02816d","","","0.71073","MoKα","","0.1037","0.0772","","","0.2108","0.2342","","","","","","1.03","","","","has coordinates,has disorder","230880","2020-10-21","18:00:00",""
"7156046","7.7672","0.0002","9.3611","0.0003","19.2665","0.0006","90","","90","","90","","1400.86","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","Liu, Yi-Wen; Ma, Rui-Jun; Yan, Jia-Hang; Zhou, Zhu; Wei, Bang-Guo","Asymmetric synthesis of (-)-sedacryptine through a diastereoselective Mannich reaction of N,O-acetals with ketones.","Organic & biomolecular chemistry","2018","16","5","771","779","10.1039/c7ob02989f","","","1.54178","CuKα","","0.0484","0.0448","","","0.1198","0.1238","","","","","","1.061","","","","has coordinates","230668","2020-10-21","18:00:00",""
"7156052","10.7257","0.0002","11.3249","0.0002","39.4835","0.0005","90","","90","","90","","4795.96","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","spiro-rhombimine","","","- C54 H60 N4 O8 -","- C54 H60 N4 O8 -","- C216 H240 N16 O32 -","4","1","","Grajewski, J.; Piotrowska, K.; Zgorzelak, M.; Janiak, A.; Biniek-Antosiak, K; Rychlewska, U.; Gawronski, J.","Introduction of axial chirality at a spiro carbon atom in the synthesis of pentaerythritol-imine macrocycles.","Organic & biomolecular chemistry","2018","16","6","981","987","10.1039/c7ob02672b","","","1.54184","CuKα","","0.0504","0.0492","","","0.1325","0.1335","","","","","","1.069","","","","has coordinates","230723","2020-10-21","18:00:00",""
"7156054","9.608","0.004","9.984","0.005","28.09","0.013","90","","90","","90","","2695","2","299","2","299","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 Br F N3 O4 -","- C31 H23 Br F N3 O4 -","- C124 H92 Br4 F4 N12 O16 -","4","1","","Wu, Shiqi; Zhu, Guodong; Wei, Shiqiang; Chen, Hongbo; Qu, Jingping; Wang, Baomin","Organocatalytic [3 + 2] cycloaddition of oxindole-based azomethine ylides with 3-nitrochromenes: a facile approach to enantioenriched polycyclic spirooxindole-chromane adducts.","Organic & biomolecular chemistry","2018","16","5","807","815","10.1039/c7ob03051g","","","0.71073","MoKα","","0.0573","0.0521","","","0.1377","0.1414","","","","","","1.026","","","","has coordinates","230675","2020-10-21","18:00:00",""
"7156055","9.6421","0.0008","18.6118","0.0012","20.0924","0.0014","90","","90","","90","","3605.7","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H47 B N2 O3 -","- C43 H47 B N2 O3 -","- C172 H188 B4 N8 O12 -","4","1","","Setner, B.; Wierzbicka, M.; Jerzykiewicz, L.; Lisowski, M.; Szewczuk, Z.","The unexpected racemization and hydrogen-deuterium exchange of the hydrogen at the α-carbon of proline analogs containing the 5-azoniaspiro[4.4]nonyl-group.","Organic & biomolecular chemistry","2018","16","5","825","831","10.1039/c7ob02926h","","","0.71073","MoKα","","0.0697","0.049","","","0.0883","0.097","","","","","","1.034","","","","has coordinates","230669","2020-10-21","18:00:00",""
"7156056","9.7197","0.0006","12.3037","0.0005","19.686","0.0009","90","","90","","90","","2354.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-1-benzyl-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-(tosylamine)pyrrolidine","","- C23 H30 N2 O4 S -","- C23 H30 N2 O4 S -","- C92 H120 N8 O16 S4 -","4","1","","Castán, A; Badorrey, R.; Gálvez, J A; López-Ram-de-Víu, P; Díaz-de-Villegas, M D","Michael addition of carbonyl compounds to nitroolefins under the catalysis of new pyrrolidine-based bifunctional organocatalysts.","Organic & biomolecular chemistry","2018","16","6","924","935","10.1039/c7ob02798b","","","0.71073","MoKα","","0.1471","0.0664","","","0.1025","0.1263","","","","","","0.994","","","","has coordinates","230724","2020-10-21","18:00:00",""
"7156062","6.1663","0.0008","12.6929","0.0011","17.4233","0.0015","90","","90","","90","","1363.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-2-chloro-3-(2,3-dihydrobenzofuran-2-yl)-1-phenylprop-2-en-1-one","","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","- C68 H44 Cl4 O8 -","4","1","","Chehal, Navneet K.; Budzelaar, Peter H. M.; Hultin, Philip G.","E-Z isomerization in Suzuki cross-couplings of haloenones: ligand effects and evidence for a separate catalytic cycle.","Organic & biomolecular chemistry","2018","16","7","1134","1143","10.1039/c7ob02925j","","","0.71073","MoKα","","0.0331","0.0316","","","0.0825","0.0853","","","","","","1.054","","","","has coordinates","230797","2020-10-21","18:00:00",""
"7156076","6.3278","0.0005","13.3923","0.001","18.8088","0.0014","90","","90","","90","","1593.9","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4-Chlorophenyl)(3-phenylimidazo[1,2-a]pyridin-2-yl)methanone","","- C20 H13 Cl N2 O -","- C20 H13 Cl N2 O -","- C80 H52 Cl4 N8 O4 -","4","1","","Kour, Dilpreet; Gupta, Annah; Kapoor, Kamal K.; Gupta, Vivek K.; Rajnikant, ?; Singh, Deepika; Das, Parthasarathi","Iodine-NH<sub>4</sub>OAc mediated regioselective synthesis of 2-aroyl-3-arylimidazo[1,2-a]pyridines from 1,3-diaryl-prop-2-en-1-ones.","Organic & biomolecular chemistry","2018","16","8","1330","1336","10.1039/c7ob02750h","","","0.71073","MoKα","","0.0676","0.0425","","","0.0744","0.0841","","","","","","0.992","","","","has coordinates","230645","2020-10-21","18:00:00",""
"7156081","8.83","0.0002","14.378","0.0009","17.669","0.001","90","","90","","90","","2243.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Galia6 (Prathap)","","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C96 H128 N16 O8 -","4","1","","Darapaneni, Chandra Mohan; Kaniraj, Prathap Jeya; Maayan, Galia","Water soluble hydrophobic peptoids via a minor backbone modification.","Organic & biomolecular chemistry","2018","16","9","1480","1488","10.1039/c7ob02928d","","","0.71073","MoKα","","0.0456","0.0384","","","0.0931","0.0958","","","","","","1.069","","","","has coordinates","230800","2020-10-21","18:00:00",""
"7156095","19.763","0.002","21.594","0.002","33.712","0.004","90","","90","","90","","14387","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C124.4 H156.62 N20 O25.4 S16.2 -","- C124.4 H156.62 N20 O25.4 S16.2 -","- C497.6 H626.48 N80 O101.6 S64.8 -","4","1","","Cholewiak, Agnieszka; Dobrzycki, Łukasz; Jurczak, Janusz; Ulatowski, Filip","Disulphide bond exchange inhibited by air - kinetic and thermodynamic products in a library of macrocyclic cysteine derivatives.","Organic & biomolecular chemistry","2018","16","14","2411","2420","10.1039/c7ob03123h","","","0.71073","MoKα","","0.1545","0.0964","","","0.2197","0.2599","","","","","","1.091","","","","has coordinates,has disorder","230793","2020-10-21","18:00:00",""
"7156116","7.5946","0.0003","13.4938","0.0006","15.8269","0.0007","90","","90","","90","","1621.94","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O5 -","- C17 H14 Cl N O5 -","- C68 H56 Cl4 N4 O20 -","4","1","","Maity, Rajendra; Pan, Subhas Chandra","Organocatalytic asymmetric Michael/hemiacetalization/acyl transfer reaction of α-nitroketones with o-hydroxycinnamaldehydes: synthesis of 2,4-disubstituted chromans.","Organic & biomolecular chemistry","2018","16","9","1598","1608","10.1039/c8ob00078f","","","0.71073","MoKα","","0.0577","0.0433","","","0.1073","0.1193","","","","","","0.991","","","","has coordinates","230801","2020-10-21","18:00:00",""
"7156124","8.16871","0.00017","8.25025","0.00017","23.3395","0.0004","90","","90","","90","","1572.94","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O7 -","- C17 H22 O7 -","- C68 H88 O28 -","4","1","","Zhang, Zhan-Xin; Wu, Pei-Qian; Li, Hui-Hong; Qi, Feng-Ming; Fei, Dong-Qing; Hu, Qiao-Ling; Liu, Ying-Hong; Huang, Xiao-Ling","Norcrassin A, a novel C<sub>16</sub> tetranorditerpenoid, and bicrotonol A, an unusual dimeric labdane-type diterpenoid, from the roots of Croton crassifolius.","Organic & biomolecular chemistry","2018","16","10","1745","1750","10.1039/c7ob02991h","","","1.54184","CuKα","","0.0408","0.0405","","","0.108","0.1086","","","","","","1.049","","","","has coordinates","230592","2020-10-21","18:00:00",""
"7156139","8.2816","0.0014","11.7445","0.0019","25.888","0.004","90","","90","","90","","2518","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 O3 Si -","- C27 H34 O3 Si -","- C108 H136 O12 Si4 -","4","1","","Halder, Joydev; Das, Debabrata; Nanda, Samik","A distinctive transformation based diversity oriented synthesis of small ring carbocycles and heterocycles from biocatalytically derived enantiopure α-substituted-β-hydroxyesters.","Organic & biomolecular chemistry","2018","16","14","2549","2575","10.1039/C8OB00233A","","","0.71073","MoKα","","0.116","0.0568","","","0.1161","0.1396","","","","","","0.981","","","","has coordinates","230789","2020-10-21","18:00:00",""
"7156141","7.5312","0.0003","20.9084","0.0008","21.2244","0.0009","90","","90","","90","","3342.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 Cl O2 -","- C19 H29 Cl O2 -","- C152 H232 Cl8 O16 -","8","2","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0282","0.0265","","","0.0747","0.076","","","","","","1.199","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156144","7.4333","0.0017","13.538","0.003","16.411","0.004","90","","90","","90","","1651.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl O2 -","- C19 H27 Cl O2 -","- C76 H108 Cl4 O8 -","4","1","","Kratena, Nicolas; Pilz, Sarah M.; Weil, Matthias; Gmeiner, Günter; Enev, Valentin S.; Gärtner, Peter","Synthesis and structural elucidation of a dehydrochloromethyltestosterone metabolite.","Organic & biomolecular chemistry","2018","16","14","2508","2521","10.1039/C8OB00122G","","","0.71073","MoKα","","0.0316","0.0284","","","0.0711","0.0731","","","","","","1.045","","","","has coordinates","230792","2020-10-21","18:00:00",""
"7156145","11.149","0.002","11.921","0.002","18.456","0.004","90","","90","","90","","2452.9","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H25 O2 P -","- C33 H25 O2 P -","- C132 H100 O8 P4 -","4","1","","Yin, Yao; Weng, Wei-Zhi; Sun, Jian-Guo; Zhang, Bo","Eosin Y-catalyzed, visible-light-promoted carbophosphinylation of allylic alcohols via a radical neophyl rearrangement.","Organic & biomolecular chemistry","2018","16","13","2356","2361","10.1039/C8OB00231B","","","0.71073","MoKα","","0.0505","0.0459","","","0.1252","0.1304","","","","","","1.033","","","","has coordinates","230784","2020-10-21","18:00:00",""
"7156160","8.5004","0.0002","12.8701","0.0002","16.4218","0.0003","90","","90","","90","","1796.56","0.06","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O7 -","- C16 H26 N2 O7 -","- C64 H104 N8 O28 -","4","1","","Josa-Culleré, Laia; Christensen, Kirsten E.; Moloney, Mark G.","Diastereoselective reduction of the tricarbonyl moiety in bicyclic tetramates giving pyroglutamates.","Organic & biomolecular chemistry","2018","16","15","2705","2710","10.1039/c8ob00187a","","","1.54184","CuKα","","0.0362","0.0356","","0.0958","0.095","0.0958","","","","","","1.0118","","","","has coordinates,has disorder","230818","2020-10-21","18:00:00",""
"7156161","8.5534","0.0001","13.2093","0.0002","16.1337","0.0002","90","","90","","90","","1822.86","0.04","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 I N2 O6 -","- C15 H23 I N2 O6 -","- C60 H92 I4 N8 O24 -","4","1","","Josa-Culleré, Laia; Christensen, Kirsten E.; Moloney, Mark G.","Diastereoselective reduction of the tricarbonyl moiety in bicyclic tetramates giving pyroglutamates.","Organic & biomolecular chemistry","2018","16","15","2705","2710","10.1039/c8ob00187a","","","1.5418","CuKα","","0.0302","0.0301","","0.0805","0.0803","0.0805","","","","","","1.0052","","","","has coordinates,has disorder","230818","2020-10-21","18:00:00",""
"7156164","6.3579","0.0007","12.657","0.0013","22.518","0.002","90","","90","","90","","1812.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Br O5 -","- C20 H17 Br O5 -","- C80 H68 Br4 O20 -","4","1","","Shen, Yue; Yang, Peng-Fei; Yang, Gaosheng; Chen, Wen-Long; Chai, Zhuo","Lewis acid-catalyzed enantiospecific [3 + 2] annulations of γ-butyrolactone fused cyclopropanes with aromatic aldehydes: synthesis of chiral furanolignans.","Organic & biomolecular chemistry","2018","16","15","2688","2696","10.1039/c8ob00455b","","","0.71073","MoKα","","0.0501","0.0339","","","0.0801","0.0868","","","","","","1.016","","","","has coordinates","230814","2020-10-21","18:00:00",""
"7156165","5.8248","0.0005","11.9048","0.001","26.568","0.002","90","","90","","90","","1842.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C84 H80 O28 -","4","1","","Shen, Yue; Yang, Peng-Fei; Yang, Gaosheng; Chen, Wen-Long; Chai, Zhuo","Lewis acid-catalyzed enantiospecific [3 + 2] annulations of γ-butyrolactone fused cyclopropanes with aromatic aldehydes: synthesis of chiral furanolignans.","Organic & biomolecular chemistry","2018","16","15","2688","2696","10.1039/c8ob00455b","","","0.71073","MoKα","","0.0425","0.0362","","","0.0846","0.0893","","","","","","1.051","","","","has coordinates","230814","2020-10-21","18:00:00",""
"7156183","8.7463","0.0003","9.1092","0.0003","13.1444","0.0005","90","","90","","90","","1047.24","0.06","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 I N2 -","- C10 H9 I N2 -","- C40 H36 I4 N8 -","4","1","","Das, Ranajit; Banerjee, Mainak; Rai, Rakesh Kumar; Karri, Ramesh; Roy, Gouriprasanna","Metal-free C(sp<sup>2</sup>)-H functionalization of azoles: K<sub>2</sub>CO<sub>3</sub>/I<sub>2</sub>-mediated oxidation, imination, and amination.","Organic & biomolecular chemistry","2018","16","23","4243","4260","10.1039/c8ob00535d","","","0.71073","MoKα","","0.0132","0.0126","","","0.0294","0.0296","","","","","","1.058","","","","has coordinates","230829","2020-10-21","18:00:00",""
"7156196","5.8407","0.0001","14.9477","0.0004","19.3104","0.0006","90","","90","","90","","1685.9","0.07","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O5 S2 -","- C17 H17 N O5 S2 -","- C68 H68 N4 O20 S8 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Cintas, Pedro; Jiménez, José L; Light, Mark E.","Mechanistic studies of 1,3-dipolar cycloadditions of bicyclic thioisomünchnones with alkenes. A computational rationale focused on donor-acceptor interactions.","Organic & biomolecular chemistry","2018","16","18","3438","3452","10.1039/c8ob00683k","","x-ray","0.71075","MoKα","","0.0228","0.0226","","","0.0601","0.0602","","","","","","1.108","","","","has coordinates","230827","2020-10-21","18:00:00",""
"7156204","9.2019","0.0006","33.434","0.002","36.933","0.003","90","","90","","90","","11362.7","1.4","104","2","104","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C93 H151 N25 O23 -","- C74 H123 N21 O18 -","- C296 H492 N84 O72 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","x-ray","1.54184","CuKα","","0.1715","0.1324","","","0.3416","0.3761","","","","","","1.308","","","","has coordinates","230725","2020-10-21","18:00:00",""
"7156207","10.1857","0.0002","17.9944","0.0004","46.7774","0.0009","90","","90","","90","","8573.6","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C71 H114 N18 O17 -","- C71 H114 N18 O17 -","- C284 H456 N72 O68 -","4","1","","Ben Haj Salah, Khoubaib; Das, Sanjit; Ruiz, Nicolas; Andreu, Vanessa; Martinez, Jean; Wenger, Emmanuel; Amblard, Muriel; Didierjean, Claude; Legrand, Baptiste; Inguimbert, Nicolas","How are 1,2,3-triazoles accommodated in helical secondary structures?","Organic & biomolecular chemistry","2018","16","19","3576","3583","10.1039/c8ob00686e","","","1.54184","CuKα","","0.0769","0.066","","","0.1848","0.1985","","","","","","0.84","","","","has coordinates,has disorder","230725","2020-10-21","18:00:00",""
"7156211","5.5311","0.0007","13.8941","0.0017","23.168","0.003","90","","90","","90","","1780.5","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O12 -","- C14 H19 N O12 -","- C56 H76 N4 O48 -","4","1","","Wang, Tinghua; Nigudkar, Swati S.; Yasomanee, Jagodige P.; Rath, Nigam P.; Stine, Keith J.; Demchenko, Alexei V.","Glycosyl nitrates in synthesis: streamlined access to glucopyranose building blocks differentiated at C-2.","Organic & biomolecular chemistry","2018","16","19","3596","3604","10.1039/c8ob00477c","","","0.71073","MoKα","","0.0715","0.0416","","","0.0728","0.0827","","","","","","1.016","","","","has coordinates","230726","2020-10-21","18:00:00",""
"7156213","10.3289","0.0003","13.752","0.0004","18.4669","0.0007","90","","90","","90","","2623.09","0.15","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Cl F3 N4 O3 -","- C28 H22 Cl F3 N4 O3 -","- C112 H88 Cl4 F12 N16 O12 -","4","1","","Luo, Yuan; Xie, Ke-Xin; Yue, Deng-Feng; Zhang, Xiao-Mei; Xu, Xiao-Ying; Yuan, Wei-Cheng","An organocatalytic asymmetric Mannich reaction of pyrazoleamides with cyclic trifluoromethyl ketimines: enantioselective access to dihydroquinazolinone skeletons.","Organic & biomolecular chemistry","2018","16","18","3372","3375","10.1039/c8ob00707a","","","0.71073","MoKα","","0.064","0.0431","","","0.0942","0.104","","","","","","1.033","","","","has coordinates","230824","2020-10-21","18:00:00",""
"7156248","6.4849","0.0005","7.9199","0.0006","21.9097","0.0017","90","","90","","90","","1125.28","0.15","205","","205","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Wang, Zheng; Xu, Ming-Hua","Highly enantioselective synthesis of α-tertiary chiral amino acid derivatives through rhodium-catalyzed asymmetric arylation of cyclic N-sulfonyl α-ketimino esters.","Organic & biomolecular chemistry","2018","16","25","4633","4640","10.1039/c8ob00840j","","","1.54178","CuKα","","0.0273","0.0271","","","0.0676","0.0677","","","","","","1.096","","","","has coordinates","230754","2020-10-21","18:00:00",""
"7156260","9.6235","0.0006","13.3554","0.0009","16.7938","0.0009","90","","90","","90","","2158.4","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O6 -","- C23 H22 N2 O6 -","- C92 H88 N8 O24 -","4","1","","Chen, Jin-Quan; Mi, Yang; Shi, Zi-Fa; Cao, Xiao-Ping","Construction of the tetracyclic core of (±)-cycloclavine and 4-amino Uhle's ketone.","Organic & biomolecular chemistry","2018","16","20","3801","3808","10.1039/c7ob03067c","","","0.71073","MoKα","","0.1153","0.0646","","","0.1298","0.1635","","","","","","1.046","","","","has coordinates","230768","2020-10-21","18:00:00",""
"7156269","9.947","0.003","15.743","0.004","18.185","0.005","90","","90","","90","","2847.7","1.4","293","2","293","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N2 O4 P -","- C27 H39 N2 O4 P -","- C108 H156 N8 O16 P4 -","4","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor","Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.","Organic & biomolecular chemistry","2018","16","25","4623","4627","10.1039/c8ob01017j","","","0.71075","MoKα","","0.0719","0.0492","","","0.1194","0.1284","","","","","","0.949","","","","has coordinates","230757","2020-10-21","18:00:00",""
"7156281","5.6897","0.0003","11.2486","0.0005","45.457","0.002","90","","90","","90","","2909.3","0.2","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H44 Br N O4 S -","- C28 H44 Br N O4 S -","- C112 H176 Br4 N4 O16 S4 -","4","1","","Guerola, Marta; Escolano, Marcos; Alzuet-Piña, Gloria; Gómez-Bengoa, Enrique; Ramírez de Arellano, Carmen; Sánchez-Roselló, María; Del Pozo, Carlos","Synthesis of substituted piperidines by enantioselective desymmetrizing intramolecular aza-Michael reactions.","Organic & biomolecular chemistry","2018","16","25","4650","4658","10.1039/c8ob01139g","","","0.71073","MoKα","","0.0865","0.0663","","","0.1092","0.117","","","","","","1.154","","","","has coordinates","230755","2020-10-21","18:00:00",""
"7156288","6.2383","0.0001","15.367","0.0002","32.9494","0.0005","90","","90","","90","","3158.66","0.08","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 Cl N3 Ni O4 -","- C36 H40 Cl N3 Ni O4 -","- C144 H160 Cl4 N12 Ni4 O16 -","4","1","","Takeda, Ryosuke; Kawamura, Akie; Kawashima, Aki; Sato, Tatsunori; Moriwaki, Hiroki; Izawa, Kunisuke; Abe, Hidenori; Soloshonok, Vadim A.","Second-order asymmetric transformation and its application for the practical synthesis of α-amino acids.","Organic & biomolecular chemistry","2018","16","27","4968","4972","10.1039/c8ob00963e","","x-ray","1.54184","CuKα","","0.0308","0.0288","","","0.0691","0.0702","","","","","","1.043","","","","has coordinates","230624","2020-10-21","18:00:00",""
"7156306","13.5505","0.0019","14.85","0.002","16.762","0.002","90","","90","","90","","3372.9","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H46 N4 O3 S2 -","- C34 H46 N4 O3 S2 -","- C136 H184 N16 O12 S8 -","4","1","","Huang, Yin-Hui; Jin, Xian-Yi; Zhao, Yong-Yi; Cong, Hang; Tao, Zhu","A fluorescence-enhanced chemosensor based on multifarene[2,2] and its recognition of metal cations.","Organic & biomolecular chemistry","2018","16","29","5343","5349","10.1039/c8ob01315b","","","0.71073","MoKα","","0.1665","0.1028","","","0.256","0.3001","","","","","","1.065","","","","has coordinates","230574","2020-10-21","18:00:00",""
"7156308","8.7773","0.0004","16.6542","0.0008","21.9525","0.001","90","","90","","90","","3209","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H38 N2 O -","- C43 H38 N2 O -","- C172 H152 N8 O4 -","4","1","","Wu, Jia-Le; Wang, Cong-Shuai; Wang, Jin-Rong; Mei, Guang-Jian; Shi, Feng","A catalytic asymmetric interrupted Nazarov-type cyclization of 2-indolylmethanols with cyclic enaminones.","Organic & biomolecular chemistry","2018","16","30","5457","5464","10.1039/c8ob01427b","","","1.34139","GaKα","","0.0421","0.0366","","","0.0814","0.085","","","","","","1.03","","","","has coordinates","230806","2020-10-21","18:00:00",""
"7156326","8.7914","0.001","16.8836","0.0019","17.728","0.002","90","","90","","90","","2631.4","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N3 O4 S2 -","- C24 H24 Br N3 O4 S2 -","- C96 H96 Br4 N12 O16 S8 -","4","1","","Xu, Han; Kang, Tian-Chen; Sha, Feng; Wu, Xin-Yan","Enantioselective Mannich reaction between rhodanines and isatin-derived ketimines to construct vicinal tetrasubstituted stereocenters.","Organic & biomolecular chemistry","2018","16","32","5780","5787","10.1039/c8ob01524d","","","0.71073","MoKα","","0.0453","0.0322","","","0.0687","0.0737","","","","","","1.015","","","","has coordinates","230631","2020-10-21","18:00:00",""
"7156329","8.5893","0.0015","11.638","0.002","22.452","0.004","90","","90","","90","","2244.4","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O7 -","- C21 H30 N2 O7 -","- C84 H120 N8 O28 -","4","1","","Niwetmarin, Worawat; Rego Campello, Hugo; Sparkes, Hazel A.; Aggarwal, Varinder K.; Gallagher, Timothy","(-)-Cytisine: Access to a stereochemically defined and functionally flexible piperidine scaffold.","Organic & biomolecular chemistry","2018","16","32","5823","5832","10.1039/c8ob01456f","","","1.54178","CuKα","","0.0349","0.0341","","","0.0892","0.0899","","","","","","1.059","","","","has coordinates","230637","2020-10-21","18:00:00",""
"7156350","10.5565","0.0002","14.9406","0.0002","25.9563","0.0004","90","","90","","90","","4093.84","0.11","150","","150.01","0.1","","","","","","","from U of Wollongong","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H35.85 Cl4.15 N4 O8 -","- C42 H35.85 Cl4.15 N4 O8 -","- C168 H143.4 Cl16.6 N16 O32 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.0769","0.0684","","0.1506","0.1456","0.1506","","","","","","0.9821","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156351","8.6464","0.00007","11.41283","0.00008","17.69376","0.00013","90","","90","","90","","1746.02","0.02","150","","150","","","","","","","","from U of Wollongong","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C88 H72 N8 O16 -","4","1","","Butler, Nicholas M.; Hendra, Rudi; Bremner, John B.; Willis, Anthony C.; Lucantoni, Leonardo; Avery, Vicky M.; Keller, Paul A.","Cascade reactions of indigo with oxiranes and aziridines: efficient access to dihydropyrazinodiindoles and spiro-oxazocinodiindoles.","Organic & biomolecular chemistry","2018","16","33","6006","6016","10.1039/c8ob00865e","","x-ray","1.54184","CuKα","","0.0306","0.0302","","0.0812","0.0807","0.0812","","","","","","1.0034","","","","has coordinates","230652","2020-10-21","18:00:00",""
"7156354","11.1611","0.0007","18.4375","0.0011","23.2735","0.0012","90","","90","","90","","4789.3","0.5","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H58 N2 O9 S -","- C55 H58 N2 O9 S -","- C220 H232 N8 O36 S4 -","4","1","","Łęczycka-Wilk, Katarzyna; Ulatowski, Filip; Cmoch, Piotr; Jarosz, Sławomir","""Choose-a-size"" control in the synthesis of sucrose based urea and thiourea macrocycles.","Organic & biomolecular chemistry","2018","16","33","6063","6069","10.1039/c8ob01340c","","","0.71073","MoKα","","0.1075","0.0635","","","0.1471","0.1795","","","","","","0.911","","","","has coordinates","230651","2020-10-21","18:00:00",""
"7156381","7.9683","0.0003","16.3532","0.0006","23.8547","0.0009","90","","90","","90","","3108.4","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C140 H160 N8 O24 -","- C140 H160 N8 O24 -","- C140 H160 N8 O24 -","1","0.25","","Wu, Xiao-Na; You, Zhi-Hao; Liu, Yan-Kai","Different hybridized oxygen atoms controlled chemoselective formation of oxocarbenium ions: synthesis of chiral heterocyclic compounds.","Organic & biomolecular chemistry","2018","16","35","6507","6520","10.1039/c8ob01743c","","","1.54184","CuKα","","0.04","0.0385","","","0.0982","0.0992","","","","","","1.03","","","","has coordinates,has disorder","230849","2020-10-21","18:00:00",""
"7156386","9.1935","0.0001","14.7832","0.0002","30.8543","0.0005","90","","90","","90","","4193.39","0.1","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H45 Cl N O7 P Pd -","- C45 H45 Cl N O7 P Pd -","- C180 H180 Cl4 N4 O28 P4 Pd4 -","4","1","","Russell, David A.; Freudenreich, Julien J.; Stewart, Hannah L.; Bond, Andrew D.; Sore, Hannah F.; Spring, David R.","Semi-syntheses of the 11-hydroxyrotenoids sumatrol and villosinol.","Organic & biomolecular chemistry","2018","16","35","6395","6398","10.1039/c8ob01919c","","","0.71073","MoKα","","0.0912","0.0586","","","0.1037","0.1153","","","","","","1.063","","","","has coordinates","230844","2020-10-21","18:00:00",""
"7156407","5.0069","0.0004","9.5409","0.0007","26.84","0.002","90","","90","","90","","1282.16","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Verma, Ashish Kumar; Chennaiah, Ande; Dubbu, Sateesh; Vankar, Yashwant D.","Stereoselective synthesis of sugar-fused (or 1,2-annulated) isochromans and isochromanones by using oxa-Pictet-Spengler reaction.","Organic & biomolecular chemistry","2018","16","37","8258","8262","10.1039/c8ob01698d","","","0.71073","MoKα","","0.099","0.0568","","","0.1212","0.1464","","","","","","1.08","","","","has coordinates","230613","2020-10-21","18:00:00",""
"7156430","6.9592","0.0004","9.9148","0.0005","27.7881","0.0015","90","","90","","90","","1917.35","0.18","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.035","0.0337","","","0.0882","0.0894","","","","","","1.05","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156431","10.5475","0.0015","20.671","0.003","24.988","0.004","90","","90","","90","","5448.1","1.4","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 F3 N O4 -","- C19 H18 F3 N O4 -","- C228 H216 F36 N12 O48 -","12","3","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.1068","0.0704","","","0.1662","0.1921","","","","","","0.981","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156433","7.6334","0.0016","14.828","0.003","15.793","0.003","90","","90","","90","","1787.6","0.6","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Bulman Page, Philip C.; Kinsey, Francesca S.; Chan, Yohan; Strutt, Ian R.; Slawin, Alexandra M. Z.; Jones, Garth A.","Novel binaphthyl and biphenyl α- and β-amino acids and esters: organocatalysis of asymmetric Diels-Alder reactions. A combined synthetic and computational study.","Organic & biomolecular chemistry","2018","16","40","7400","7416","10.1039/c8ob01795f","","","1.54187","CuKα","","0.051","0.0499","","","0.1238","0.125","","","","","","1.066","","","","has coordinates","230777","2020-10-21","18:00:00",""
"7156436","5.605","0.002","7.129","0.003","24.013","0.009","90","","90","","90","","959.5","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 F O2 -","- C11 H11 F O2 -","- C44 H44 F4 O8 -","4","1","","Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna","Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.","Organic & biomolecular chemistry","2018","16","39","7170","7173","10.1039/c8ob02236d","","","0.71073","MoKα","","0.0563","0.0478","","","0.1044","0.1075","","","","","","1.086","","","","has coordinates","230690","2020-10-21","18:00:00",""
"7156437","8.3403","0.0002","15.6568","0.0004","16.7849","0.0004","90","","90","","90","","2191.81","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H17 Br O5 -","- C26 H17 Br O5 -","- C104 H68 Br4 O20 -","4","1","","Xu, Han; Sha, Feng; Li, Qiong; Wu, Xin-Yan","Catalytic asymmetric Tamura cycloaddition of homophthalic anhydrides with 2-arylidene-1,3-diones.","Organic & biomolecular chemistry","2018","16","39","7214","7222","10.1039/c8ob01970c","","","0.71073","MoKα","","0.0327","0.0276","","","0.0669","0.0694","","","","","","1.022","","","","has coordinates","230695","2020-10-21","18:00:00",""
"7156449","9.0912","0.0017","17.553","0.003","20.148","0.004","90","","90","","90","","3215.2","1","296","2","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H28 F2 N2 O S -","- C31 H28 F2 N2 O S -","- C124 H112 F8 N8 O4 S4 -","4","1","","Liu, Feng; Zhao, Guoqing; Cai, Weiqi; Xu, Dongfang; Zhao, Baoguo","Aminative Umpolung cyclization for synthesis of chiral exocyclic vicinal diamines.","Organic & biomolecular chemistry","2018","16","40","7498","7502","10.1039/c8ob02000k","","","0.71073","MoKα","","0.1577","0.067","","","0.178","0.2264","","","","","","0.998","","","","has coordinates","230778","2020-10-21","18:00:00",""
"7156457","15.6212","0.0004","31.4079","0.0012","25.8937","0.0007","90","","90","","90","","12704.2","0.7","124","3","124","3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","oDL5cTtPP","","- C141 H157 Cl3 N8 O8 -","- C141 H157 Cl3 N8 O8 -","- C564 H628 Cl12 N32 O32 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","x-ray","1.54184","CuKα","","0.1347","0.0831","","","0.213","0.2486","","","","","","1.003","","","","has coordinates,has disorder","230629","2020-10-21","18:00:00",""
"7156463","16.2769","0.0018","18.6656","0.0014","19.3939","0.0016","90","","90","","90","","5892.2","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","oDL3cTtPP","","- C66 H70 N4 O4 -","- C66 H70 N4 O4 -","- C264 H280 N16 O16 -","4","1","","Liu, Qiuhua; Zhang, Jinjin; Tang, Min; Yang, Yan; Zhang, Jian; Zhou, Zaichun","Geometric deconstruction of core and electron activation of a π-system in a series of deformed porphyrins: mimics of heme.","Organic & biomolecular chemistry","2018","16","41","7725","7736","10.1039/c8ob01959b","","","1.54184","CuKα","","0.1421","0.1041","","","0.28","0.3139","","","","","","1","","","","has coordinates","230629","2020-10-21","18:00:00",""
"7156490","7.942","0.004","16.844","0.01","17.488","0.011","90","","90","","90","","2339","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-benzoyl-3-(dibenzo[b,d]thophen-4-yl)-8a-methyl-3,4,4a,5-tetrahydro-2H chromen-6(8a H)-one","","- C29 H24 O3 S -","- C29 H24 O3 S -","- C116 H96 O12 S4 -","4","1","","Jadhav, Sandip B.; Thopate, Satish B.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu","Rh-Catalyzed diastereoselective desymmetrization of enone tethered-cyclohexadienones via tandem arylative cyclization.","Organic & biomolecular chemistry","2019","17","7","1937","1946","10.1039/c8ob02284d","","","0.71073","MoKα","","0.1013","0.0529","","","0.123","0.1498","","","","","","0.922","","","","has coordinates,has disorder","225212","2020-10-21","18:00:00",""
"7156491","10.994","0.0002","17.4175","0.0004","19.4407","0.0004","90","","90","","90","","3722.66","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 O7 -","- C40 H62 O7 -","- C160 H248 O28 -","4","1","","Guo, Yi; Zhang, Na; Sun, Weiguang; Duan, Xueyan; Zhang, Qing; Zhou, Qun; Chen, Chunmei; Zhu, Hucheng; Luo, Zengwei; Liu, Junjun; Li, Xiao-Nian; Xue, Yongbo; Zhang, Yonghui","Bioactive polycyclic polyprenylated acylphloroglucinols from Hypericum perforatum.","Organic & biomolecular chemistry","2018","16","43","8130","8143","10.1039/c8ob02067a","","","1.54178","CuKα","","0.0423","0.042","","","0.1099","0.1102","","","","","","1.059","","","","has coordinates","230665","2020-10-21","18:00:00",""
"7156510","10.0847","0.0003","12.3157","0.0004","23.0056","0.0007","90","","90","","90","","2857.3","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 F6 N4 O4 S -","- C28 H30 F6 N4 O4 S -","- C112 H120 F24 N16 O16 S4 -","4","1","","Claveau, Romain; Twamley, Brendan; Connon, Stephen J.","Synthesis of α-alkylated γ-butyrolactones with concomitant anhydride kinetic resolution using a sulfamide-based catalyst.","Organic & biomolecular chemistry","2018","16","41","7574","7578","10.1039/c8ob02248h","","x-ray","0.71073","MoKα","","0.0517","0.0458","","","0.1113","0.1144","","","","","","1.103","","","","has coordinates","230628","2020-10-21","18:00:00",""
"7156518","7.7966","0.0006","14.3031","0.0012","18.1018","0.0015","90","","90","","90","","2018.6","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Br N4 -","- C25 H17 Br N4 -","- C100 H68 Br4 N16 -","4","1","","Deka, Bhaskar; Baruah, Pranjal K.; Deb, Mohit L.","Multi-component synthesis of 3-substituted indoles and their cyclisation to α-carbolines via I<sub>2</sub>-promoted intramolecular C2 oxidative amination/aromatisation at room temperature.","Organic & biomolecular chemistry","2018","16","42","7806","7810","10.1039/c8ob02362j","","","0.71073","MoKα","","0.0668","0.0433","","","0.1075","0.1284","","","","","","0.999","","","","has coordinates","230677","2020-10-21","18:00:00",""
"7156519","11.2746","0.0001","16.1738","0.0002","18.2342","0.0002","90","","90","","90","","3325.06","0.06","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Baefrutone A","bf-54","","- C35 H48 O7 -","- C35 H48 O7 -","- C140 H192 O28 -","4","1","","Hou, Ji-Qin; Wang, Bao-Lin; Han, Chao; Xu, Jian; Wang, Zhe; He, Qi-Wei; Zhang, Pei-Lin; Zhao, Shu-Min; Pei, Xin; Wang, Hao","Atropisomeric meroterpenoids with rare triketone-phloroglucinol-terpene hybrids from Baeckea frutescens.","Organic & biomolecular chemistry","2018","16","44","8513","8524","10.1039/c8ob02433b","","","1.54184","CuKα","","0.0398","0.0374","","","0.1075","0.1104","","","","","","1.051","","","","has coordinates","230609","2020-10-21","18:00:00",""
"7156523","11.6524","0.0004","15.998","0.0006","18.6279","0.0008","90","","90","","90","","3472.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F3 I N O -","- C16 H19 F3 I N O -","- C128 H152 F24 I8 N8 O8 -","8","2","","Shi, Yingkun; Xiao, Hongqing; Xu, Xiu-Hua; Huang, Yangen","Transition metal free decarboxylative fluoroalkylation of N-acrylamides with 3,3,3-trifluoro-2,2-dimethylpropanoic acid (TFDMPA).","Organic & biomolecular chemistry","2018","16","44","8472","8476","10.1039/c8ob02457j","","","0.71073","MoKα","","0.0392","0.0312","","","0.0673","0.0718","","","","","","1.019","","","","has coordinates","230601","2020-10-21","18:00:00",""
"7156534","9.8834","0.0003","10.2262","0.0003","13.9008","0.0004","90","","90","","90","","1404.95","0.07","150","2","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C64 H92 N4 O8 -","4","1","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","1.54178","CuKα","","0.0394","0.038","","","0.1003","0.1017","","","","","","1.066","","","","has coordinates,has disorder","230606","2020-10-21","18:00:00",""
"7156535","7.3868","0.0004","17.0662","0.0009","23.1039","0.0011","90","","90","","90","","2912.6","0.3","253","8","253","8","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C128 H184 N8 O16 -","8","2","","Li, Tao; Wu, Guangmiao; Feng, Shangbiao; Wang, Zemin; Xie, Xingang; She, Xuegong","A rapid construction of the ABC tricyclic skeleton of malabanone A.","Organic & biomolecular chemistry","2018","16","44","8491","8494","10.1039/c8ob02495b","","","0.71073","MoKα","","0.1129","0.0657","","","0.1187","0.1497","","","","","","1.057","","","","has coordinates,has disorder","230606","2020-10-21","18:00:00",""
"7156543","8.8265","0.0002","21.615","0.0004","30.7813","0.0005","90","","90","","90","","5872.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 O5 -","- C21 H32 O5 -","- C252 H384 O60 -","12","3","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","","1.54178","CuKα","","0.032","0.0319","","","0.082","0.0821","","","","","","1.054","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156546","9.0892","0.0001","9.9719","0.0001","17.8361","0.0001","90","","90","","90","","1616.6","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Li, Fengli; Sun, Weiguang; Guan, Jiankun; Lu, Yuanyuan; Lin, Shuang; Zhang, Sitian; Gao, Weixi; Liu, Junjun; Du, Guang; Wang, Jianping; Zhu, Hucheng; Qi, Changxing; Hu, Zhengxi; Zhang, Yonghui","Anti-inflammatory fusicoccane-type diterpenoids from the phytopathogenic fungus Alternaria brassicicola.","Organic & biomolecular chemistry","2018","16","45","8751","8760","10.1039/c8ob02353k","","x-ray","1.54178","CuKα","","0.0336","0.0331","","","0.0839","0.0842","","","","","","1.085","","","","has coordinates","230852","2020-10-21","18:00:00",""
"7156548","8.434","0.007","10.662","0.01","44.27","0.04","90","","90","","90","","3981","6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-(2-Fluorophenyl)-3-((6-methoxybenzo[d]thiazol-2-yl)amino)-1-phenyl propan-1-one","","- C46 H37 F2 N4 O4 S2 -","- C46 H37 F2 N4 O4 S2 -","- C184 H148 F8 N16 O16 S8 -","4","1","","Li, Weihua; Wang, Yifeng; Xu, Danqian","Asymmetric synthesis of β-amino ketones by using cinchona alkaloid-based chiral phase transfer catalysts.","Organic & biomolecular chemistry","2018","16","45","8704","8709","10.1039/c8ob02484g","","","0.71073","MoKα","","0.0618","0.0531","","","0.126","0.1309","","","","","","1.026","","","","has coordinates,has disorder","230856","2020-10-21","18:00:00",""
"7156552","15.1112","0.0004","15.5876","0.0005","31.4003","0.0009","90","","90","","90","","7396.3","0.4","150","2","150.02","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H68 Cl4 F12 N4 O8 S4 -","- C68 H68 Cl4 F12 N4 O8 S4 -","- C272 H272 Cl16 F48 N16 O32 S16 -","4","1","","Qin, Tian; Jiang, Quanbin; Ji, Jieying; Luo, Jie; Zhao, Xiaodan","Chiral selenide-catalyzed enantioselective synthesis of trifluoromethylthiolated 2,5-disubstituted oxazolines.","Organic & biomolecular chemistry","2019","17","7","1763","1766","10.1039/c8ob02575d","","x-ray","1.54184","CuKα","","0.0805","0.0566","","","0.1316","0.1466","","","","","","1.018","","","","has coordinates,has disorder","225206","2020-10-21","18:00:00",""
"7156554","9.5099","0.0003","9.7883","0.0003","23.6429","0.0007","90","","90","","90","","2200.82","0.12","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Cl F N2 O3 S -","- C23 H20 Cl F N2 O3 S -","- C92 H80 Cl4 F4 N8 O12 S4 -","4","1","","Zheng, Bu-Quan; Chen, Ling-Yan; Zhao, Jian-Bo; Ji, Jian; Qiu, Zi-Bin; Ren, Xinfeng; Li, Ya","Organocatalytic asymmetric syntheses of 3-fluorooxindoles containing vicinal fluoroamine motifs.","Organic & biomolecular chemistry","2018","16","46","8989","8993","10.1039/c8ob01786g","","","0.71073","MoKα","","0.0482","0.0387","","","0.0834","0.0903","","","","","","1.064","","","","has coordinates","230749","2020-10-21","18:00:00",""
"7156557","11.4298","0.0006","14.3863","0.0008","15.3115","0.0008","90","","90","","90","","2517.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O9 -","- C27 H38 O9 -","- C108 H152 O36 -","4","1","","Qi, Changxing; Qiao, Yuben; Gao, Weixi; Liu, Mengting; Zhou, Qun; Chen, Chunmei; Lai, Yongji; Xue, Yongbo; Zhang, Jinwen; Li, Dongyan; Wang, Jianping; Zhu, Hucheng; Hu, Zhengxi; Zhou, Yuan; Zhang, Yonghui","New 3,5-dimethylorsellinic acid-based meroterpenoids with BACE1 and AchE inhibitory activities from Aspergillus terreus.","Organic & biomolecular chemistry","2018","16","46","9046","9052","10.1039/c8ob02741b","","","1.54178","CuKα","","0.0377","0.0376","","","0.1013","0.1014","","","","","","1.113","","","","has coordinates","230742","2020-10-21","18:00:00",""
"7156562","10.44121","0.00016","11.19736","0.00018","11.7174","0.00018","90","","90","","90","","1369.93","0.04","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Wu, Pei-Qian; Yu, Yi-Fan; Zhao, Ye; Yu, Chun-Xue; Zhi, De-Juan; Qi, Feng-Ming; Fei, Dong-Qing; Zhang, Zhan-Xin","Four novel sesquiterpenoids with their anti-Alzheimer's disease activity from Nardostachys chinensis.","Organic & biomolecular chemistry","2018","16","46","9038","9045","10.1039/c8ob02319k","","x-ray","1.54184","CuKα","","0.0359","0.0352","","","0.0925","0.0935","","","","","","1.095","","","","has coordinates","230747","2020-10-21","18:00:00",""
"7156563","5.32172","0.00003","11.65514","0.00005","28.13606","0.00011","90","","90","","90","","1745.15","0.014","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O3 -","- C20 H20 Cl N O3 -","- C80 H80 Cl4 N4 O12 -","4","1","","Huang, Yi; Li, Pan; Dong, Xiu-Qin; Zhang, Xumu","Synthesis of chiral seven-membered β-substituted lactams via Rh-catalyzed asymmetric hydrogenation.","Organic & biomolecular chemistry","2018","16","45","8819","8823","10.1039/c8ob02231c","","x-ray","1.54184","CuKα","","0.0238","0.0238","","","0.0616","0.0616","","","","","","1.089","","","","has coordinates","230851","2020-10-21","18:00:00",""
"7156564","12.9237","0.0004","15.5472","0.0004","39.6257","0.0012","90","","90","","90","","7961.9","0.4","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H58 O7 -","- C41 H58 O7 -","- C328 H464 O56 -","8","2","","Wang, Wen-Li; Zhu, Dong-Rong; Luo, Jie; Liu, Fei-Yan; Chen, Chen; Zhu, Tian-Yu; Li, Ling-Nan; Han, Chao; Luo, Jian-Guang; Kong, Ling-Yi","Taiwanoids A-D, four dimeric diterpenoids featuring tetracyclic [7. 7<sup>5, 9</sup>. 4. 0<sup>5, 10</sup>. 0<sup>8, 9</sup>] octodecane from Taiwania cryptomerioidesim.","Organic & biomolecular chemistry","2018","16","46","9059","9063","10.1039/c8ob02566e","","","1.54178","CuKα","","0.0536","0.0439","","","0.1118","0.1185","","","","","","1.02","","","","has coordinates,has disorder","230745","2020-10-21","18:00:00",""
"7156569","8.4217","0.0006","17.9017","0.0012","18.0406","0.0012","90","","90","","90","","2719.9","0.3","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2.3 H2.15 N0.15 O0.44 -","- C2.2963 H2.14815 N0.148148 O0.444444 -","- C124 H116 N8 O24 -","54","13.5","","Liu, Yuxin; Wang, Jingdong; Wei, Zhonglin; Cao, Jungang; Liang, Dapeng; Lin, Yingjie; Duan, Haifeng","Direct enantio- and diastereoselective Mannich reactions of isatin-derived ketimines with oxo-indanecarboxylates catalyzed by chiral thiourea derived from hydroquinidine.","Organic & biomolecular chemistry","2018","16","46","8927","8932","10.1039/c8ob02595a","","","0.71073","MoKα","","0.1","0.0611","","","0.1507","0.1736","","","","","","1.015","","","","has coordinates","230751","2020-10-21","18:00:00",""
"7156587","7.7671","0.0001","16.3554","0.0003","17.5789","0.0003","90","","90","","90","","2233.12","0.06","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O5 -","- C26 H34 O5 -","- C104 H136 O20 -","4","1","","Ma, Shuang-Jiang; Yu, Jie; Yan, Da-Wei; Wang, Da-Cheng; Gao, Jin-Ming; Zhang, Qiang","Meroterpene-like compounds derived from β-caryophyllene as potent α-glucosidase inhibitors","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C8OB02687D","","x-ray","1.54184","CuKα","","0.0579","0.0482","","","0.1202","0.1404","","","","","","1.0301","","","","has coordinates","212190","2020-10-21","18:00:00",""
"7156589","13.9171","0.0003","18.5603","0.0004","27.189","0.0005","90","","90","","90","","7023.1","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H53 N O6 -","- C39 H53 N O6 -","- C312 H424 N8 O48 -","8","2","","Ma, Shuang-Jiang; Yu, Jie; Yan, Da-Wei; Wang, Da-Cheng; Gao, Jin-Ming; Zhang, Qiang","Meroterpene-like compounds derived from β-caryophyllene as potent α-glucosidase inhibitors","Organic & Biomolecular Chemistry","2018","","","","","10.1039/C8OB02687D","","x-ray","1.54178","CuKα","","0.0452","0.0378","","","0.0861","0.0904","","","","","","1.058","","","","has coordinates","212190","2020-10-21","18:00:00",""
"7156592","9.877","0.006","11.908","0.007","16.045","0.01","90","","90","","90","","1887","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 F3 O3 -","- C10 H7 F3 O3 -","- C80 H56 F24 O24 -","8","2","","Yan, Weitao; Wang, Ruo; Zhang, Tesen; Deng, Hongtao; Chen, Jian; Wu, Wei; Weng, Zhiqiang","Synthesis of 4-trifluoromethyl 2-pyrones and pyridones through the Brønsted base-catalyzed Pechmann-type reaction with cyclic 1,3-diones.","Organic & biomolecular chemistry","2018","16","48","9440","9445","10.1039/c8ob02701c","","","0.71073","MoKα","","0.1328","0.0673","","","0.1303","0.1582","","","","","","1.001","","","","has coordinates","230770","2020-10-21","18:00:00",""
"7156606","6.9268","0.0004","7.6212","0.0004","39.643","0.003","90","","90","","90","","2092.8","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O11 -","- C20 H32 O11 -","- C80 H128 O44 -","4","1","","Wang, Junfeng; Qin, Li; Zhao, Biqing; Cai, Liang; Zhong, Zhenping; Liu, Yonghong; Zhou, Xiaojiang","Crotonols A and B, two rare tigliane diterpenoid derivatives against K562 cells from Croton tiglium.","Organic & biomolecular chemistry","2018","17","1","195","202","10.1039/c8ob02519c","","","1.54178","CuKα","","0.1013","0.0777","","","0.1777","0.1902","","","","","","1.097","","","","has coordinates","225078","2020-10-21","18:00:00",""
"7156607","7.1064","0.0012","10.3163","0.0018","15.973","0.002","90","","90","","90","","1171","0.3","110","","110","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O -","- C15 H17 N O -","- C60 H68 N4 O4 -","4","1","","Xu, Dawen; Kaiser, Felix; Li, Han; Reich, Robert M.; Guo, Hao; Kühn, Fritz E","Highly selective AlCl<sub>3</sub> initiated intramolecular α-alkylation of α,β-unsaturated lactams and lactones.","Organic & biomolecular chemistry","2018","17","1","49","52","10.1039/c8ob02961j","","x-ray","0.71073","MoKα","","0.0291","0.0279","","","0.0731","0.0736","","","","","","1.083","","","","has coordinates,has disorder","225081","2020-10-21","18:00:00",""
"7156619","5.9701","0.0002","7.3338","0.0003","31.4408","0.0013","90","","90","","90","","1376.59","0.09","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Br Cl N2 O2 -","- C13 H10 Br Cl N2 O2 -","- C52 H40 Br4 Cl4 N8 O8 -","4","1","","Yu, Kun-Ming; Zhu, Hui-Kai; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin","Organocatalyzed asymmetric tandem conjugate addition-protonation of isocyanoacetates to 2-chloroacrylonitrile.","Organic & biomolecular chemistry","2019","17","3","639","645","10.1039/c8ob02833h","","","0.71073","MoKα","","0.0256","0.0235","","","0.056","0.0569","","","","","","1.059","","","","has coordinates","225307","2020-10-21","18:00:00",""
"7156621","7.3603","0.0007","16.4621","0.0016","24.344","0.002","90","","90","","90","","2949.7","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 N O3 -","- C36 H49 N O3 -","- C144 H196 N4 O12 -","4","1","","Khusnutdinova, Elmira F.; Kazakova, Oxana B.; Lobov, Alexander N.; Kukovinets, Olga S.; Suponitsky, Kyrill Yu; Meyers, Craig B.; Prichard, Mark N.","Synthesis of A-ring quinolones, nine-membered oxolactams and spiroindoles by oxidative transformations of 2,3-indolotriterpenoids.","Organic & biomolecular chemistry","2019","17","3","585","597","10.1039/c8ob02624f","","","0.71073","MoKα","","0.0806","0.0493","","","0.0955","0.1074","","","","","","0.996","","","","has coordinates","225306","2020-10-21","18:00:00",""
"7156625","11.362","0.0004","15.3627","0.0007","16.0741","0.0007","90","","90","","90","","2805.8","0.2","273","2","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 O5 -","- C35 H30 O5 -","- C140 H120 O20 -","4","1","","Intakaew, Neeranuth; Rithchumpon, Puracheth; Prommin, Chanatkran; Yimklan, Saranphong; Kungwan, Nawee; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and characterization of novel chiral derivatizing agents containing β-keto-anthracene adducts (KAAs) by <sup>1</sup>H-NMR: aromatic influence and chiral alcohol absolute configuration determination.","Organic & biomolecular chemistry","2019","17","3","541","554","10.1039/c8ob02662a","","","0.71073","MoKα","","0.0557","0.0377","","","0.0862","0.0945","","","","","","1.027","","","","has coordinates","225305","2020-10-21","18:00:00",""
"7156643","6.1663","0.0003","11.1767","0.0006","16.5802","0.0008","90","","90","","90","","1142.69","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-3-(4-bromophenyl)isobenzofuran-1(3H)-one","","- C14 H9 Br O2 -","- C14 H9 Br O2 -","- C56 H36 Br4 O8 -","4","1","","Carlos, Andressa M. M.; Stieler, Rafael; Lüdtke, Diogo S","Catalytic asymmetric synthesis of 3-aryl phthalides enabled by arylation-lactonization of 2-formylbenzoates.","Organic & biomolecular chemistry","2019","17","2","283","289","10.1039/c8ob02872a","","x-ray","1.54178","CuKα","","0.0189","0.0188","","","0.0492","0.0492","","","","","","1.071","","","","has coordinates","212996","2020-10-21","18:00:00",""
"7156654","10.1412","0.0001","17.5089","0.0002","19.7319","0.0003","90","","90","","90","","3503.62","0.08","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H41 Cl3 N P -","- C42 H41 Cl3 N P -","- C168 H164 Cl12 N4 P4 -","4","1","","Mino, Takashi; Yamaguchi, Daiki; Masuda, Chihiro; Youda, Junpei; Ebisawa, Toshibumi; Yoshida, Yasushi; Sakamoto, Masami","Synthesis and application of P,olefin type axially chiral ligands with sec-alkyl groups.","Organic & biomolecular chemistry","2019","17","6","1455","1465","10.1039/c9ob00075e","","","1.54178","","","0.0392","0.0389","","","0.1006","0.1009","","","","","","1.045","","","","has coordinates","225147","2020-10-21","18:00:00",""
"7156661","6.7899","0.0004","16.6281","0.0011","18.1779","0.0016","90","","90","","90","","2052.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C96 H88 O16 S4 -","- C96 H88 O16 S4 -","- C96 H88 O16 S4 -","1","0.25","","Zehra, Syeda Tazeen; Zhang, Guoxiang; Yang, Shuang; Fang, Xinqiang","Kinetic resolution of β-ketoesters with quaternary stereocenters via a carbene-catalyzed benzoin reaction.","Organic & biomolecular chemistry","2019","17","8","2169","2173","10.1039/c8ob02468e","","","0.71073","MoKα","","0.0417","0.0402","","","0.1104","0.1122","","","","","","1.033","","","","has coordinates","225093","2020-10-21","18:00:00",""
"7156673","11.8058","0.0008","12.6003","0.0011","19.4463","0.0012","90","","90","","90","","2892.8","0.4","108.2","0.14","108.2","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O10 -","- C31 H38 O10 -","- C124 H152 O40 -","4","1","","He, Jun; Xu, Jie-Kun; Zhang, Jia; Bai, Hong-Jin; Ma, Bing-Zhi; Cheng, Yung-Chi; Zhang, Wei-Ku","Fischeriana A, a meroterpenoid with an unusual 6/6/5/5/5/6/6 heptacyclic carbon skeleton from the roots of Euphorbia fischeriana.","Organic & biomolecular chemistry","2019","17","10","2721","2724","10.1039/c9ob00013e","","x-ray","1.54184","CuKα","","0.0398","0.0373","","","0.0944","0.0973","","","","","","1.024","","","","has coordinates","225051","2020-10-21","18:00:00",""
"7156677","5.7177","0.0005","7.7029","0.0006","35.315","0.003","90","","90","","90","","1555.4","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O4 -","- C17 H14 Cl N O4 -","- C68 H56 Cl4 N4 O16 -","4","1","","Sengoku, Tetsuya; Ikeda, Ikuhei; Ai, Keisuke; Takahashi, Masaki; Yoda, Hidemi","Indium- and zinc-catalyzed enantioselective amide propargylation of aldehydes with stannylated allenyl amides.","Organic & biomolecular chemistry","2019","17","10","2614","2618","10.1039/c9ob00040b","","","0.71075","MoKα","","0.0491","0.0461","","","0.1235","0.1286","","","","","","1.077","","","","has coordinates","225047","2020-10-21","18:00:00",""
"7156682","8.2235","0.0006","15.8364","0.0013","17.2177","0.0013","90","","90","","90","","2242.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.0792","0.0551","","","","0.1265","","","","","","1.0707","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156684","9.3173","0.0007","10.8597","0.0009","22.3122","0.0019","90","","90","","90","","2257.6","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.0696","0.0484","","","","0.0972","","","","","","1.0772","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156686","8.8657","0.0009","10.5557","0.0009","18.97","0.002","90","","90","","90","","1775.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl O3 -","- C19 H21 Cl O3 -","- C76 H84 Cl4 O12 -","4","1","","Khanvilkar, Aditya N.; Samanta, Sudeep G.; Bedekar, Ashutosh V.","Applications of chiral naphthyloxycyclohexanols in deracemization of α-substituted carboxylic acids by dynamic thermodynamic resolution.","Organic & biomolecular chemistry","2019","17","10","2670","2683","10.1039/c8ob02896f","","","0.71073","","","0.1129","0.0699","","","","0.2009","","","","","","0.9575","","","","has coordinates","225045","2020-10-21","18:00:00",""
"7156688","6.5026","0.0001","13.1145","0.0002","21.4093","0.0003","90","","90","","90","","1825.75","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O8 -","- C20 H24 O8 -","- C80 H96 O32 -","4","1","","Liu, Hong-Xin; Tan, Hai-Bo; Chen, Kai; Zhao, Li-Yun; Chen, Yu-Chan; Li, Sai-Ni; Li, Hao-Hua; Zhang, Wei-Min","Cytosporins A-D, novel benzophenone derivatives from the endophytic fungus Cytospora rhizophorae A761.","Organic & biomolecular chemistry","2019","17","9","2346","2350","10.1039/c8ob03223h","","x-ray","1.54184","CuKα","","0.0283","0.0275","","","0.0724","0.0729","","","","","","1.068","","","","has coordinates","225217","2020-10-21","18:00:00",""
"7156713","10.141","0.0014","10.4626","0.0013","19.267","0.003","90","","90","","90","","2044.3","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl N -","- C26 H22 Cl N -","- C104 H88 Cl4 N4 -","4","1","","Uruvakili, Anasuyamma; Kumara Swamy, K. C.","Gold catalysed transformation of 2-arylindoles to terphenyl amines via 3-dienyl indoles and Brønsted acid promoted formation of 2-carboxyindoles to 3-indenylindoles via 3-allenylindoles.","Organic & biomolecular chemistry","2019","17","12","3275","3284","10.1039/c9ob00232d","","","0.71073","MoKα","","0.0363","0.0326","","","0.095","0.1037","","","","","","1.134","","","","has coordinates","225296","2020-10-21","18:00:00",""
"7156757","6.2201","0.0007","12.705","0.0014","35.317","0.004","90","","90","","90","","2791","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 Cl N3 O3 -","- C34 H28 Cl N3 O3 -","- C136 H112 Cl4 N12 O12 -","4","1","","Hutskalova, Valeriia; Mykhailiuk, Pavel K.","Pd-Catalyzed directed CH-(hetero)arylation of cyclic α-amino acids: effects of substituents and the ring size.","Organic & biomolecular chemistry","2019","17","17","4342","4349","10.1039/c9ob00393b","","","0.71073","MoKα","","0.1045","0.0512","","","0.08","0.0956","","","","","","1.015","","","","has coordinates","225135","2020-10-21","18:00:00",""
"7156769","7.21212","0.00009","15.4816","0.0002","26.0416","0.0003","90","","90","","90","","2907.68","0.06","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","2","","Ghosh, Arnab; Hegde, Rajeev; Makane, Vitthal B.; Sridhar, Balasubramanian; Rode, Haridas B.; Patil, Siddappa A.; Dateer, Ramesh B.","Transition metal-free functionalized hydration of alkynes: one-pot synthesis of fluorinated β-keto-imidates using Selectfluor.","Organic & biomolecular chemistry","2019","17","18","4440","4445","10.1039/c9ob00527g","","","0.71073","MoKα","","0.1954","0.0757","","","0.1242","0.1564","","","","","","1.024","","","","has coordinates","225247","2020-10-21","18:00:00",""
"7156810","7.6174","0.0003","26.721","0.0013","34.0314","0.0014","90","","90","","90","","6926.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 O2 S -","- C30 H24 O2 S -","- C360 H288 O24 S12 -","12","3","","Feng, Ze-Nan; Luo, Jin-Yun; Zhang, Yang; Du, Guang-Fen; He, Lin","N-Heterocyclic carbene-catalyzed diastereoselective synthesis of sulfenylated indanes via sulfa-Michael-Michael (aldol) cascade reactions.","Organic & biomolecular chemistry","2019","17","19","4700","4704","10.1039/c9ob00210c","","","0.71073","MoKα","","0.1403","0.0637","","","0.1007","0.1306","","","","","","1.031","","","","has coordinates","225152","2020-10-21","18:00:00",""
"7156820","9.7079","0.0011","14.071","0.0018","20.822","0.003","90","","90","","90","","2844.3","0.6","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H16 N4 O16 -","- C28 H16 N4 O16 -","- C112 H64 N16 O64 -","4","1","","Ma, Jiao-Xia; Fang, Xu; Xue, Min; Yang, Yong","Synthesis, structure, and anion binding of functional oxacalix[4]arenes.","Organic & biomolecular chemistry","2019","17","20","5075","5085","10.1039/c9ob00613c","","","0.71073","MoKα","","0.0776","0.0374","","","0.0817","0.1031","","","","","","1.06","","","","has coordinates,has disorder","225182","2020-10-21","18:00:00",""
"7156841","8.3026","0.0002","8.563","0.0002","30.125","0.0008","90","","90","","90","","2141.74","0.09","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 I N3 O2 P -","- C22 H19 I N3 O2 P -","- C88 H76 I4 N12 O8 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","1.54184","CuKα","","0.0488","0.0476","","","0.1251","0.1264","","","","","","1.03","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156849","29.548","0.004","8.3033","0.0008","8.5609","0.0011","90","","90","","90","","2100.4","0.4","297","2","297","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl I N3 O P -","- C21 H16 Cl I N3 O P -","- C84 H64 Cl4 I4 N12 O4 P4 -","4","1","","Anitha, Mandala; Kumara Swamy, K. C.","Highly functionalised (γ-azido/γ-fluoro-β-iodo/)vinyl derivatives from phosphorus based allenes or allenoates: IO halogen bonding interactions.","Organic & biomolecular chemistry","2019","17","23","5736","5748","10.1039/c9ob00715f","","","0.71073","MoKα","","0.0974","0.078","","","0.2043","0.2136","","","","","","1.121","","","","has coordinates","225250","2020-10-21","18:00:00",""
"7156861","6.8998","0.0002","11.7197","0.0003","26.4465","0.0006","90","","90","","90","","2138.56","0.1","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl F N2 O3 S -","- C23 H24 Cl F N2 O3 S -","- C92 H96 Cl4 F4 N8 O12 S4 -","4","1","","Panduwawala, Tharindi D.; Iqbal, Sarosh; Thompson, Amber L.; Genov, Miroslav; Pretsch, Alexander; Pretsch, Dagmar; Liu, Shuang; Ebright, Richard H.; Howells, Alison; Maxwell, Anthony; Moloney, Mark G.","Functionalised bicyclic tetramates derived from cysteine as antibacterial agents.","Organic & biomolecular chemistry","2019","17","22","5615","5632","10.1039/c9ob01076a","","","1.5418","CuKα","","0.0263","0.0257","","0.0689","0.0681","0.0689","","","","","","1.0068","","","","has coordinates","225056","2020-10-21","18:00:00",""
"7156862","7.5793","0.0003","15.2528","0.0005","15.4509","0.0005","90","","90","","90","","1786.21","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O4 S -","- C21 H22 O4 S -","- C84 H88 O16 S4 -","4","1","","Palange, Megha N.; Gonnade, Rajesh G.; Kontham, Ravindar","TiCl<sub>4</sub>-n-Bu<sub>3</sub>N-mediated cascade annulation of ketones with α-ketoesters: a facile synthesis of highly substituted fused γ-alkylidene-butenolides.","Organic & biomolecular chemistry","2019","17","23","5749","5759","10.1039/c9ob00649d","","","0.71073","MoKα","","0.0357","0.0308","","","0.0818","0.0873","","","","","","1.099","","","","has coordinates,has disorder","225249","2020-10-21","18:00:00",""
"7156867","5.6134","0.0002","10.6394","0.0003","21.7983","0.0005","90","","90","","90","","1301.86","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 F2 O3 -","- C6 H8 F2 O3 -","- C48 H64 F16 O24 -","8","2","","Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno","Synthesis of vicinal dideoxy-difluorinated galactoses.","Organic & biomolecular chemistry","2019","17","21","5331","5340","10.1039/c9ob00707e","","x-ray","0.71073","MoKα","","0.0297","0.0274","","","0.0666","0.0674","","","","","","1.069","","","","has coordinates","225254","2020-10-21","18:00:00",""
"7156868","8.3866","0.0002","8.4182","0.0002","10.232","0.0002","90","","90","","90","","722.38","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 F2 O4 -","- C6 H10 F2 O4 -","- C24 H40 F8 O16 -","4","1","","Malassis, Julien; Vendeville, Jean-Baptiste; Nguyen, Qui-Hien; Boujon, Marie; Gaignard-Gaillard, Quentin; Light, Mark; Linclau, Bruno","Synthesis of vicinal dideoxy-difluorinated galactoses.","Organic & biomolecular chemistry","2019","17","21","5331","5340","10.1039/c9ob00707e","","x-ray","0.71073","MoKα","","0.0223","0.0218","","","0.0606","0.0609","","","","","","1.065","","","","has coordinates","225254","2020-10-21","18:00:00",""
"7156906","10.2529","0.0002","11.3156","0.0003","39.0323","0.0009","90","","90","","90","","4528.44","0.18","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H47 N O11 S -","- C37 H47 N O11 S -","- C148 H188 N4 O44 S4 -","4","1","","Wang, Kaiye; Xiang, Yanan; Shi, Zhujun; Wang, Hongyu; Li, Na; Tang, Bo","Asymmetric kinetic resolution of sulfides for the construction of unsymmetric sulfides and chiral 3,3-disubstituted oxindoles.","Organic & biomolecular chemistry","2019","17","26","6351","6354","10.1039/c9ob01065c","","","1.54184","CuKα","","0.0726","0.0664","","","0.174","0.1793","","","","","","1.047","","","","has coordinates","225124","2020-10-21","18:00:00",""
"7156909","8.0766","0.0008","9.1009","0.0009","33.009","0.004","90","","90","","90","","2426.3","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N O5 S -","- C27 H25 N O5 S -","- C108 H100 N4 O20 S4 -","4","1","","Zhao, Zi-Biao; Shi, Lei; Li, Yaming; Meng, Fan-Jie; Zhou, Yong-Gui","Facile synthesis of chiral ε-sultams via an organocatalytic aza-Friedel-Crafts reaction.","Organic & biomolecular chemistry","2019","17","26","6364","6368","10.1039/c9ob01158g","","","0.71073","MoKα","","0.0951","0.0503","","","0.0996","0.1215","","","","","","1.076","","","","has coordinates","225116","2020-10-21","18:00:00",""
"7156927","7.6371","0.0004","14.5261","0.0008","16.1757","0.0008","90","","90","","90","","1794.49","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","","Pilicer, Samantha L.; Mancinelli, Michele; Mazzanti, Andrea; Wolf, Christian","Predictive chirality sensing via Schiff base formation.","Organic & biomolecular chemistry","2019","17","27","6699","6705","10.1039/c9ob01265f","","","1.54178","CuKα","","0.0997","0.0553","","","0.1184","0.1383","","","","","","0.973","","","","has coordinates,has disorder","225065","2020-10-21","18:00:00",""
"7156929","10.6941","0.0001","16.3625","0.0002","18.2683","0.0002","90","","90","","90","","3196.63","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H35.51 N5 O7 S -","- C34 H35.5 N5 O7 S -","- C136 H142 N20 O28 S4 -","4","1","","Chen, Shuang; Wang, Guan-Lian; Xu, Sheng-Wen; Tian, Min-Yi; Zhang, Min; Liu, Xiong-Li; Yuan, Wei-Cheng","Regio- and stereoselective [3 + 2] cycloaddition reaction: access to isoxazole-dispirobisoxindoles featuring three contiguous stereocenters.","Organic & biomolecular chemistry","2019","17","27","6551","6556","10.1039/c9ob01203f","","x-ray","1.54184","CuKα","","0.039","0.0383","","","0.1012","0.102","","","","","","1.042","","","","has coordinates,has disorder","225067","2020-10-21","18:00:00",""
"7156930","11.1703","0.0002","15.8824","0.0003","18.1124","0.0003","90","","90","","90","","3213.34","0.1","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H33 N5 O7 S -","- C33 H33 N5 O7 S -","- C132 H132 N20 O28 S4 -","4","1","","Chen, Shuang; Wang, Guan-Lian; Xu, Sheng-Wen; Tian, Min-Yi; Zhang, Min; Liu, Xiong-Li; Yuan, Wei-Cheng","Regio- and stereoselective [3 + 2] cycloaddition reaction: access to isoxazole-dispirobisoxindoles featuring three contiguous stereocenters.","Organic & biomolecular chemistry","2019","17","27","6551","6556","10.1039/c9ob01203f","","x-ray","1.54184","CuKα","","0.0386","0.0376","","","0.0971","0.098","","","","","","1.048","","","","has coordinates","225067","2020-10-21","18:00:00",""
"7156937","18.8583","0.0007","19.3929","0.0005","19.5642","0.0007","90","","90","","90","","7155","0.4","180","2","180.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H58 B F24 N2 Na O8 -","- C72 H58 B F24 N2 Na O8 -","- C288 H232 B4 F96 N8 Na4 O32 -","4","1","","Homberg, Alexandre; Hrdina, Radim; Vishe, Mahesh; Guénée, Laure; Lacour, Jérôme","Stereoselective deconjugation of macrocyclic α,β-unsaturated esters by sequential amidation and olefin transposition: application to enantioselective phase-transfer catalysis.","Organic & biomolecular chemistry","2019","17","28","6905","6910","10.1039/c9ob01355e","","x-ray","1.54184","CuKα","","0.0993","0.0823","","","0.2183","0.2426","","","","","","1.051","","","","has coordinates,has disorder","225025","2020-10-21","18:00:00",""
"7156940","9.7132","0.0003","14.1931","0.0005","14.3361","0.0005","90","","90","","90","","1976.38","0.12","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","1","","Houston, Sevan D.; Fahrenhorst-Jones, Tyler; Xing, Hui; Chalmers, Benjamin A.; Sykes, Melissa L.; Stok, Jeanette E.; Farfan Soto, Clementina; Burns, Jed M.; Bernhardt, Paul V.; De Voss, James J.; Boyle, Glen M.; Smith, Maree T.; Tsanaktsidis, John; Savage, G. Paul; Avery, Vicky M.; Williams, Craig M.","The cubane paradigm in bioactive molecule discovery: further scope, limitations and the cyclooctatetraene complement.","Organic & biomolecular chemistry","2019","17","28","6790","6798","10.1039/c9ob01238a","","x-ray","1.54184","CuKα","","0.0415","0.0391","","","0.0962","0.0983","","","","","","1.069","","","","has coordinates","225029","2020-10-21","18:00:00",""
"7156949","6.2739","0.0008","20.464","0.003","23.723","0.003","90","","90","","90","","3045.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,3,4,4,5,5-hexafluoro-1,2-bis[2,3,5,6-tetrafluoro-4-(2-(4-methoxyphenyl)ethyn-1-yl)phenyl]cyclopentene","","- C35 H14 F14 O2 -","- C35 H14 F14 O2 -","- C140 H56 F56 O8 -","4","1","","Yamada, Shigeyuki; Nishizawa, Akito; Morita, Masato; Hosokai, Takuya; Okabayashi, Yusuke; Agou, Tomohiro; Hosoya, Takaaki; Kubota, Toshio; Konno, Tsutomu","Synthesis and characterization of bent fluorine-containing donor-π-acceptor molecules as intense luminophores with large Stokes shifts.","Organic & biomolecular chemistry","2019","17","28","6911","6919","10.1039/c9ob01300h","","","0.71073","MoKα","","0.2005","0.0816","","","0.1748","0.2656","","","","","","0.983","","","","has coordinates,has disorder","225032","2020-10-21","18:00:00",""
"7156964","5.53","0.002","12.216","0.004","32.227","0.013","90","","90","","90","","2177.1","1.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O6 -","- C24 H25 N O6 -","- C96 H100 N4 O24 -","4","1","","Luo, Jinghua; Chen, Rongshun; Fan, Xia; Gong, Junyu; Han, Jie; He, Zhengjie","Catalytic asymmetric (4 + 1) annulation of nitroalkenes with allylic acetates: stereoselective synthesis of isoxazoline N-oxides.","Organic & biomolecular chemistry","2019","17","29","6989","6993","10.1039/c9ob01058k","","","0.71073","MoKα","","0.0916","0.0585","","","0.106","0.1182","","","","","","1.164","","","","has coordinates","225019","2020-10-21","18:00:00",""
"7156965","6.4813","0.0013","16.177","0.003","21.944","0.004","90","","90","","90","","2300.8","0.8","153","2","153.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-3-((S)-4-((2-Bromophenyl)amino)-3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-3-fluoro-1-methylindolin-2-one","","- C25 H20 Br F N4 O2 -","- C25 H20 Br F N4 O2 -","- C100 H80 Br4 F4 N16 O8 -","4","1","","Zhang, Qing-Da; Zhao, Bo-Liang; Li, Bing-Yu; Du, Da-Ming","Squaramide-catalyzed asymmetric Mannich reactions between 3-fluorooxindoles and pyrazolinone ketimines.","Organic & biomolecular chemistry","2019","17","30","7182","7191","10.1039/c9ob01350d","","","0.71073","MoKα","","0.0435","0.04","","","0.0857","0.0877","","","","","","1.089","","","","has coordinates","225229","2020-10-21","18:00:00",""
"7156969","14.1242","0.0003","14.398","0.0003","20.2906","0.0006","90","","90","","90","","4126.3","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H42 N6 O11 -","- C46 H42 N6 O11 -","- C184 H168 N24 O44 -","4","1","","Miao, Yu-Hang; Hua, Yuan-Zhao; Wang, Min-Can","Dinuclear zinc cooperative catalytic three-component reactions for highly enantioselective synthesis of 3,3'-dihydrofuran spirooxindoles.","Organic & biomolecular chemistry","2019","17","30","7172","7181","10.1039/c9ob01233h","","x-ray","1.54184","CuKα","","0.0613","0.0522","","","0.1394","0.1481","","","","","","1.046","","","","has coordinates","225225","2020-10-21","18:00:00",""
"7156970","7.9383","0.0002","8.9382","0.0002","16.392","0.0005","90","","90","","90","","1163.08","0.05","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 Cl N O4 -","- C10 H19 Cl N O4 -","- C40 H76 Cl4 N4 O16 -","4","1","","Foucart, Quentin; Shimadate, Yuna; Marrot, Jérôme; Kato, Atsushi; Désiré, Jérôme; Blériot, Yves","Synthesis and glycosidase inhibition of conformationally locked DNJ and DMJ derivatives exploiting a 2-oxo-C-allyl iminosugar.","Organic & biomolecular chemistry","2019","17","30","7204","7214","10.1039/c9ob01402k","","","0.71073","MoKα","","0.0244","0.023","","","0.0625","0.0637","","","","","","1.098","","","","has coordinates","225226","2020-10-21","18:00:00",""
"7156972","8.2455","0.0012","11.3533","0.0016","13.652","0.002","90","","90","","90","","1278","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 N2 O2 -","- C17 H12 N2 O2 -","- C68 H48 N8 O8 -","4","1","","Ahire, Milind M.; Pol, Mahesh D.; Kavale, Dattatry S.; Gonnade, Rajesh G.; Mhaske, Santosh B.","Stereoselective construction of deoxy-cruciferane alkaloids by NHC-catalyzed intramolecular annulation of homoenolate with quinazolinone.","Organic & biomolecular chemistry","2019","17","30","7135","7139","10.1039/c9ob01243e","","","1.54178","CuKα","","0.0348","0.0334","","","0.0877","0.0914","","","","","","1.056","","","","has coordinates","225224","2020-10-21","18:00:00",""
"7156973","8.7557","0.0018","14.297","0.003","16.454","0.003","90","","90","","90","","2059.7","0.7","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C92 H92 N4 O24 -","4","1","","Shahrestani, Naeimeh; Khosravi, Hormoz; Jadidi, Khosrow; Notash, Behrouz; Naderi, Soheila","Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model.","Organic & biomolecular chemistry","2019","17","29","7013","7024","10.1039/c9ob01197h","","","0.71073","MoKα","","0.1376","0.0605","","","0.125","0.1513","","","","","","0.883","","","","has coordinates","225018","2020-10-21","18:00:00",""
"7156974","8.1876","0.0016","14.121","0.003","19.915","0.004","90","","90","","90","","2302.5","0.8","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O4 -","- C28 H26 N2 O4 -","- C112 H104 N8 O16 -","4","1","","Shahrestani, Naeimeh; Khosravi, Hormoz; Jadidi, Khosrow; Notash, Behrouz; Naderi, Soheila","Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model.","Organic & biomolecular chemistry","2019","17","29","7013","7024","10.1039/c9ob01197h","","","0.71073","MoKα","","0.1373","0.0795","","","0.1219","0.1384","","","","","","1.013","","","","has coordinates","225018","2020-10-21","18:00:00",""
"7156975","8.5232","0.0017","13.562","0.003","21.283","0.004","90","","90","","90","","2460.1","0.9","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Shahrestani, Naeimeh; Khosravi, Hormoz; Jadidi, Khosrow; Notash, Behrouz; Naderi, Soheila","Organocatalytic synthesis of enantiopure spiro acenaphthyl-pyrrolizidine/pyrrolidines: justifying the regioselectivity based on a distortion/interaction model.","Organic & biomolecular chemistry","2019","17","29","7013","7024","10.1039/c9ob01197h","","","0.71073","MoKα","","0.1896","0.0968","","","0.1485","0.1779","","","","","","1.018","","","","has coordinates","225018","2020-10-21","18:00:00",""
"7156978","9.751","0.0007","16.7972","0.0013","20.8431","0.0014","90","","90","","90","","3413.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Diethyl 2,2-bis(2-((1R,5R,6S,7S,10S,11S)-1,10-epoxyguaia-3-ene-6,12-olid)methyl)malonate","","","- C37 H48 O10 -","- C37 H48 O10 -","- C148 H192 O40 -","4","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","0.71073","MoKα","","0.0958","0.0616","","","0.131","0.165","","","","","","1.06","","","","has coordinates","225235","2020-10-21","18:00:00",""
"7156981","6.0344","0.0002","31.7014","0.001","12.0302","0.0004","90","","90","","90","","2301.36","0.13","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1R,5R,6S,7S,10S,11S)-11-((diphenylphosphoryl)methyl)-1,10-epoxyguaia-3-ene-6,12-olid","","","- C27 H29 O4 P -","- C27 H29 O4 P -","- C108 H116 O16 P4 -","4","1","","Salin, Alexey V.; Islamov, Daut R.","Phosphine-catalyzed Michael additions to α-methylene-γ-butyrolactones.","Organic & biomolecular chemistry","2019","17","31","7293","7299","10.1039/c9ob01401b","","x-ray","1.54184","CuKα","","0.0718","0.0576","","","0.1408","0.1614","","","","","","1.087","","","","has coordinates","225235","2020-10-21","18:00:00",""
"7156993","7.2208","0.0004","16.3286","0.0009","27.1076","0.0012","90","","90","","90","","3196.1","0.3","150","2","150","2","","","","","","","synthesized by the authors","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 Br N2 O4 S -","- C35 H31 Br N2 O4 S -","- C140 H124 Br4 N8 O16 S4 -","4","1","","Franc, Michael; Urban, Michal; Císařová, Ivana; Veselý, Jan","Highly enantioselective addition of sulfur-containing heterocycles to isatin-derived ketimines.","Organic & biomolecular chemistry","2019","17","31","7309","7314","10.1039/c9ob01338e","","","0.71073","MoKα","","0.0578","0.0355","","","0.0661","0.0717","","","","","","1.036","","","","has coordinates","225232","2020-10-21","18:00:00",""
"7157005","9.6029","0.00007","10.57062","0.00006","23.0787","0.00013","90","","90","","90","","2342.69","0.03","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 S -","- C28 H32 N2 S -","- C112 H128 N8 S4 -","4","1","","Prusinowska, Natalia; Czapik, Agnieszka; Wojciechowska, Martika; Kwit, Marcin","Dynamic optical activity induction in the N-alkyl-N'-trityl ureas and thioureas.","Organic & biomolecular chemistry","2019","17","33","7782","7793","10.1039/c9ob01319a","","","1.54184","CuKα","","0.0232","0.0231","","","0.0637","0.0638","","","","","","1.061","","","","has coordinates","225094","2020-10-21","18:00:00",""
"7157031","10.9844","0.0004","12.425","0.0005","19.6238","0.0008","90","","90","","90","","2678.28","0.18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N O7 -","- C30 H37 N O7 -","- C120 H148 N4 O28 -","4","1","","Wang, Wen-Xuan; Cheng, Gui-Guang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Li, Jing; Feng, Tao; Liu, Ji-Kai","Curtachalasins, immunosuppressive agents from the endophytic fungus Xylaria cf. curta.","Organic & biomolecular chemistry","2019","17","34","7985","7994","10.1039/c9ob01552c","","","1.54178","CuKα","","0.0325","0.0311","","","0.0772","0.0786","","","","","","1.034","","","","has coordinates","225280","2020-10-21","18:00:00",""
"7157032","11.2462","0.0014","16.3107","0.0019","25.345","0.003","90","","90","","90","","4649.1","1","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H45 N O13 -","- C47 H45 N O13 -","- C188 H180 N4 O52 -","4","1","","Lu, Kui; Li, Ming; Huang, Yuna; Sun, Yuanyuan; Gong, Zhi; Wei, Qijun; Zhao, Xia; Zhang, Yongmin; Yu, Peng","Total synthesis of wikstrol A and wikstrol B.","Organic & biomolecular chemistry","2019","17","35","8206","8213","10.1039/c9ob01219b","","","","","","0.105","","","","","","","","","","","","","","","has coordinates","225272","2020-10-21","18:00:00",""
"7157037","9.97968","0.00004","10.81315","0.00005","27.7238","0.00012","90","","90","","90","","2991.72","0.02","283","9","283","9","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 O6 -","- C31 H45 O6 -","- C124 H180 O24 -","4","1","","Duan, Yulin; Xie, Shuangshuang; Guo, Yi; Qiao, Yuben; Shi, Zhengyi; Tao, Li; Deng, Mengyi; Cao, Yunfang; Xue, Yongbo; Qi, Changxing; Zhang, Yonghui","Przewalcyrones A-F, epoxychromene-containing polycyclic polyprenylated acylphloroglucinols with immunosuppressive activity from Hypericum przewalskii Maxim.","Organic & biomolecular chemistry","2019","17","35","8234","8242","10.1039/c9ob01500k","","x-ray","1.54184","CuKα","","0.0419","0.0414","","","0.1248","0.1254","","","","","","1.03","","","","has coordinates","225278","2020-10-21","18:00:00",""
"7157044","7.50014","0.00011","16.7058","0.0002","22.9329","0.0003","90","","90","","90","","2873.4","0.07","100.03","0.1","100.03","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,4,9,11-Tetraphenylquinazolino[7,8-h]quinazolinium perchlorate","","- C38 H25 Cl N4 O4 -","- C38 H25 Cl N4 O4 -","- C152 H100 Cl4 N16 O16 -","4","1","","Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Mikshiev, Vladimir Y.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Antonov, Alexander S.","Proton-induced fluorescence in modified quino[7,8-h]quinolines: dual sensing for protons and π-donors.","Organic & biomolecular chemistry","2019","17","35","8221","8233","10.1039/c9ob01391a","","x-ray","1.54184","CuKα","","0.0423","0.0393","","","0.1024","0.1055","","","","","","1.055","","","","has coordinates,has disorder","225277","2020-10-21","18:00:00",""
"7157049","10.238","0.0004","10.6914","0.0005","19.2761","0.0008","90","","90","","90","","2109.93","0.16","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Br N5 O3 -","- C22 H22 Br N5 O3 -","- C88 H88 Br4 N20 O12 -","4","1","","Zhang, Chen; Shang, Xinye; Cheng, Yuyu; Li, Fushuai; Zhao, Hanhui; Li, Pengfei; Li, Wenjun","Enantioselective construction of 3-substituted 3-amino-2-oxindoles containing an N,N-ketal skeleton via organocatalyzed aza-addition of isatin imines.","Organic & biomolecular chemistry","2019","17","36","8374","8378","10.1039/c9ob01870k","","x-ray","0.71073","MoKα","","0.0213","0.0196","","","0.0435","0.0441","","","","","","1.044","","","","has coordinates","225264","2020-10-21","18:00:00",""
"7157057","11.34869","0.00014","12.79403","0.00016","14.62274","0.00018","90","","90","","90","","2123.16","0.05","293","2","293","2","","","","","","","Emericella sp. XL029","3","P 21 21 21","P 2ac 2ab","19","","Emerone A","","- C22 H32 O8 -","- C9.77778 H13.3333 O4 -","- C88 H120 O36 -","9","2.25","","Chen, Heng-Ye; Liu, Ting-Kai; Yang, Jian; Yang, Xiao-Long","Emerones A-C: three novel merosesquiterpenoids with unprecedented skeletons from Emericella sp. XL029.","Organic & biomolecular chemistry","2019","17","36","8450","8455","10.1039/c9ob01788g","","","1.54184","CuKα","","0.0496","0.0491","","","0.1157","0.1163","","","","","","1.161","","","","has coordinates","225267","2020-10-21","18:00:00",""
"7157058","7.68291","0.00011","12.60214","0.00017","21.2697","0.0003","90","","90","","90","","2059.36","0.05","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Emerone B","","- C21 H30 O7 -","- C9.77778 H13.3333 O3.11111 -","- C88 H120 O28 -","9","2.25","","Chen, Heng-Ye; Liu, Ting-Kai; Yang, Jian; Yang, Xiao-Long","Emerones A-C: three novel merosesquiterpenoids with unprecedented skeletons from Emericella sp. XL029.","Organic & biomolecular chemistry","2019","17","36","8450","8455","10.1039/c9ob01788g","","","1.54184","CuKα","","0.0336","0.0329","","","0.0839","0.0848","","","","","","1.079","","","","has coordinates","225267","2020-10-21","18:00:00",""
"7157068","10.584","0.0006","15.7917","0.0008","18.4493","0.001","90","","90","","90","","3083.6","0.3","253","0.1","253","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 N O5 P S -","- C30 H44 N O5 P S -","- C120 H176 N4 O20 P4 S4 -","4","1","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.044","0.0437","","","0.1133","0.1137","","","","","","1.137","","","","has coordinates,has disorder","225295","2020-10-21","18:00:00",""
"7157069","16.0321","0.0005","6.1532","0.0002","9.7828","0.0003","90","","90","","90","","965.06","0.05","253","0.1","253","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Br N -","- C10 H12 Br N -","- C40 H48 Br4 N4 -","4","1","","Yuan, Minglei; Mbaezue, Ifenna I.; Zhou, Zhi; Topic, Filip; Tsantrizos, Youla S.","P-Chiral, N-phosphoryl sulfonamide Brønsted acids with an intramolecular hydrogen bond interaction that modulates organocatalysis.","Organic & biomolecular chemistry","2019","17","38","8690","8694","10.1039/c9ob01774g","","x-ray","1.54178","CuKα","","0.0662","0.0656","","","0.1579","0.1582","","","","","","1.145","","","","has coordinates","225295","2020-10-21","18:00:00",""
"7157079","8.8995","0.0004","12.8103","0.0006","13.9893","0.0006","90","","90","","90","","1594.85","0.12","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Br O4 -","- C18 H13 Br O4 -","- C72 H52 Br4 O16 -","4","1","","Shi, Taoda; Teng, Shenghan; Gopi Krishna Reddy, Alavala; Guo, Xin; Zhang, Yueteng; Moore, Kohlson T.; Buckley, Thomas; Mason, Damian J.; Wang, Wei; Chapman, Eli; Hu, Wenhao","Catalytic asymmetric synthesis of 2,5-dihydrofurans using synergistic bifunctional Ag catalysis.","Organic & biomolecular chemistry","2019","17","38","8737","8744","10.1039/c9ob01903k","","","0.71073","MoKα","","0.0367","0.0297","","","0.0649","0.0679","","","","","","1.058","","","","has coordinates","225293","2020-10-21","18:00:00",""
"7157081","8.7924","0.0003","10.9272","0.0003","18.098","0.0007","90","","90","","90","","1738.79","0.1","296.93","0.13","296.93","0.13","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 F N2 O2 -","- C21 H17 F N2 O2 -","- C84 H68 F4 N8 O8 -","4","1","","Xu, Yuanshuang; Zhang, Linghua; Liu, Mengyang; Zhang, Xiaopeng; Zhang, Xinying; Fan, Xuesen","Synthesis of benzoazepine derivatives via Rh(iii)-catalyzed inert C(sp<sup>2</sup>)-H functionalization and [4 + 3] annulation.","Organic & biomolecular chemistry","2019","17","38","8706","8710","10.1039/c9ob01830a","","x-ray","1.54184","CuKα","","0.0412","0.0334","","","0.0774","0.0822","","","","","","1.019","","","","has coordinates","225291","2020-10-21","18:00:00",""
"7157109","9.4081","0.0004","14.8474","0.0006","20.854","0.0008","90","","90","","90","","2913","0.2","273","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Sp)-4","","- C30 H36 Se2 Si2 -","- C30 H36 Se2 Si2 -","- C120 H144 Se8 Si8 -","4","1","","Hasegawa, Masashi; Kobayakawa, Kosuke; Nojima, Yuki; Mazaki, Yasuhiro","Synthesis and chiroptical properties of stereogenic cyclic dimers based on 2,2'-biselenophene and [2.2]paracyclophane.","Organic & biomolecular chemistry","2019","17","39","8822","8826","10.1039/c9ob01907c","","","0.71073","MoKα","","0.0257","0.0215","","","0.046","0.047","","","","","","0.941","","","","has coordinates","225115","2020-10-21","18:00:00",""
"7157123","7.5705","0.0005","11.9923","0.0007","27.772","0.002","90","","90","","90","","2521.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Cl N4 O -","- C28 H21 Cl N4 O -","- C112 H84 Cl4 N16 O4 -","4","1","","Ji, Yan-Ling; Li, He-Ping; Ai, Yue-Yan; Li, Guo; He, Xiang-Hong; Huang, Wei; Huang, Rui-Zhen; Han, Bo","Enantio- and diastereoselective synthesis of spiropyrazolones via an organocatalytic [1 + 2 + 3] multicomponent reaction.","Organic & biomolecular chemistry","2019","17","41","9217","9225","10.1039/c9ob01927h","","","1.54184","CuKα","","0.0605","0.0481","","","0.112","0.1235","","","","","","1.039","","","","has coordinates","225072","2020-10-21","18:00:00",""
"7157124","7.6734","0.0005","11.9044","0.0008","27.0141","0.0017","90","","90","","90","","2467.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Cl N4 O -","- C28 H21 Cl N4 O -","- C112 H84 Cl4 N16 O4 -","4","1","","Ji, Yan-Ling; Li, He-Ping; Ai, Yue-Yan; Li, Guo; He, Xiang-Hong; Huang, Wei; Huang, Rui-Zhen; Han, Bo","Enantio- and diastereoselective synthesis of spiropyrazolones via an organocatalytic [1 + 2 + 3] multicomponent reaction.","Organic & biomolecular chemistry","2019","17","41","9217","9225","10.1039/c9ob01927h","","","1.54184","CuKα","","0.1326","0.0785","","","0.1863","0.2507","","","","","","1.058","","","","has coordinates","225072","2020-10-21","18:00:00",""
"7157145","8.5917","0.0013","13.421","0.002","21.279","0.003","90","","90","","90","","2453.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 N2 O5 S -","- C27 H24 N2 O5 S -","- C108 H96 N8 O20 S4 -","4","1","","Lu, Min; Li, Hong; Zou, Chuncheng; Li, Jianchang; Liu, Chengyu; Sun, Maolin; Ma, Yueyue; Cheng, Ruihua; Ye, Jinxing","Primary amine catalyzed diastereo- and enantioselective Michael reaction of thiazolones and α,β-unsaturated ketones.","Organic & biomolecular chemistry","2019","17","42","9305","9312","10.1039/c9ob02067e","","","0.71073","MoKα","","0.0522","0.0433","","","0.1057","0.1114","","","","","","1.043","","","","has coordinates","225108","2020-10-21","18:00:00",""
"7157147","9.0518","0.0004","12.1315","0.0005","18.9731","0.0008","90","","90","","90","","2083.47","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","28","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Luo, Shao-Xiong; Liu, Yanzhou; Lambrecht, Michael J.; Ortwine, Daniel F.; DiPasquale, Antonio G.; Liang, Jun; Wang, Xiaojing; Zbieg, Jason R.; Li, Jun","cis-Selective synthesis of 1,3-disubstituted tetrahydro-β-carbolines from N-sulfonyl N,S-acetals.","Organic & biomolecular chemistry","2019","17","43","9510","","10.1039/c9ob01796h","","","0.71073","MoKα","","0.0472","0.0403","","","0.0889","0.0922","","","","","","1.081","","","","has coordinates","225313","2020-10-21","18:00:00",""
"7157148","9.2149","0.0003","11.3488","0.0004","19.7251","0.0007","90","","90","","90","","2062.81","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","14","","- C23 H26 N2 O3 S -","- C23 H26 N2 O3 S -","- C92 H104 N8 O12 S4 -","4","1","","Luo, Shao-Xiong; Liu, Yanzhou; Lambrecht, Michael J.; Ortwine, Daniel F.; DiPasquale, Antonio G.; Liang, Jun; Wang, Xiaojing; Zbieg, Jason R.; Li, Jun","cis-Selective synthesis of 1,3-disubstituted tetrahydro-β-carbolines from N-sulfonyl N,S-acetals.","Organic & biomolecular chemistry","2019","17","43","9510","","10.1039/c9ob01796h","","","0.71073","MoKα","","0.0364","0.0342","","","0.0826","0.0843","","","","","","1.063","","","","has coordinates","225313","2020-10-21","18:00:00",""
"7157162","10.3112","0.0001","17.8036","0.0002","30.2278","0.0003","90","","90","","90","","5549.11","0.1","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O8 -","- C24 H19 N O8 -","- C192 H152 N8 O64 -","8","2","","Lv, Dan; Zhao, Min; Wang, Youming; Zhou, Zhenghong","3-Nitro-3,4-dihydrocoumarins: Valuable precursors for the synthesis of enantiomerically enriched masked quaternary α-amino acid derivatives with a 3,4-dihydrocoumarin scaffold","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02089F","","x-ray","1.54184","CuKα","","0.0494","0.0445","","","0.1315","0.1372","","","","","","1.065","","","","has coordinates","219482","2020-10-21","18:00:00",""
"7157187","17.353","0.005","24.435","0.008","5.4165","0.0017","90","","90","","90","","2296.7","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br2 O5 -","- C24 H24 Br2 O5 -","- C96 H96 Br8 O20 -","4","1","","Shit, Sudip; Devi, Namita; Devi, Ngangbam Renubala; Saikia, Anil K.","Stereoselective synthesis of hexahydrofuro[3,4-b]furan-4-ol and its dimer via tandem Prins and pinacol rearrangement.","Organic & biomolecular chemistry","2019","17","31","7398","7407","10.1039/c9ob01353a","","","0.71073","MoKα","","0.1571","0.0605","","","0.1377","0.1942","","","","","","0.974","","","","has coordinates","223424","2020-10-21","18:00:00",""
"7157189","13","0.005","13.405","0.005","17.492","0.007","90","","90","","90","","3048","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O7 -","- C32 H32 N2 O7 -","- C128 H128 N8 O28 -","4","1","","Sharma, Arun; Sharma, Vivek; Chimni, Swapandeep Singh","Organocatalytic enantioselective conjugate addition of pyrazolin-5-ones to arylomethylidene malonates.","Organic & biomolecular chemistry","2019","17","43","9514","","10.1039/c9ob01700c","","","0.71073","MoKα","","0.0992","0.0664","","","0.1851","0.2191","","","","","","1.011","","","","has coordinates","223425","2020-10-21","18:00:00",""
"7157197","6.8","0.0002","15.603","0.0004","17.7559","0.0006","90","","90","","90","","1883.91","0.1","99.98","0.12","99.98","0.12","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C88 H88 O24 -","- C88 H88 O24 -","- C88 H88 O24 -","1","0.25","","Liu, Zhaoming; Tan, Haibo; Chen, Kai; Chen, Yuchan; Zhang, Wenge; Chen, Shanchong; Liu, Hong-Xin; Zhang, Weimin","Rhizophols A and B, antioxidant and axially chiral benzophenones from the endophytic fungus Cytospora rhizophorae","Organic & Biomolecular Chemistry","2019","","","","","10.1039/C9OB02282A","","x-ray","1.54184","CuKα","","0.0517","0.0448","","","0.122","0.1271","","","","","","1.069","","","","has coordinates","227689","2020-10-21","18:00:00",""
"7157204","8.83","0.0002","14.378","0.0009","17.669","0.001","90","","90","","90","","2243.2","0.2","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Galai6 (Prathap)","","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C96 H128 N16 O8 -","4","1","","Darapaneni, Chandra Mohan; Kaniraj, Prathap Jeya; Maayan, Galia","Water soluble hydrophobic peptoids via a minor backbone modification.","Organic & biomolecular chemistry","2018","16","9","1480","1488","10.1039/c7ob02928d","","","0.71073","MoKα","","0.0457","0.0385","","","0.0934","0.0961","","","","","","1.069","","","","has coordinates","227925","2020-10-21","18:00:00",""
"7157211","6.44427","0.00008","25.748","0.0003","31.5946","0.0004","90","","90","","90","","5242.4","0.11","292.2","0.4","292.2","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O2 -","- C30 H48 O2 -","- C240 H384 O16 -","8","2","","Yu, Chun-Xue; Wang, Ru-Yue; Qi, Feng-Ming; Su, Pan-Jie; Yu, Yi-Fan; Li, Bing; Zhao, Ye; Zhi, De-Juan; Zhang, Zhan-Xin; Fei, Dong-Qing","Eupulcherol A, a triterpenoid with a new carbon skeleton from Euphorbia pulcherrima, and its anti-Alzheimer's disease bioactivity.","Organic & biomolecular chemistry","2019","18","1","76","80","10.1039/c9ob02334h","","","1.54184","CuKα","","0.0496","0.043","","","0.1059","0.1105","","","","","","1.02","","","","has coordinates,has disorder","247804","2020-10-21","18:00:00",""
"7157220","6.07381","0.00017","10.7631","0.0003","19.448","0.0005","90","","90","","90","","1271.37","0.06","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F5 N2 O S -","- C13 H9 F5 N2 O S -","- C52 H36 F20 N8 O4 S4 -","4","1","","Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John","Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.","Organic & biomolecular chemistry","2017","15","40","8655","8660","10.1039/c7ob02289a","","x-ray","0.71075","MoKα","","0.0278","0.0258","","","0.064","0.0649","","","","","","1.021","","","","has coordinates","235724","2020-10-21","18:00:00",""
"7157235","11.3472","0.0008","20.551","0.0015","30.017","0.002","90","","90","","90","","6999.9","0.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H37 F N2 O4 -","- C44 H37 F N2 O4 -","- C352 H296 F8 N16 O32 -","8","2","","Zhan, Shao-Cong; Sun, Jing; Liu, Ru-Zhang; Yan, Chao-Guo","Diastereoselective construction of carbazole-based spirooxindoles via the Levy three-component reaction.","Organic & biomolecular chemistry","2019","18","1","163","168","10.1039/c9ob02013f","","","0.71073","MoKα","","0.114","0.0691","","","0.1726","0.194","","","","","","1.138","","","","has coordinates,has disorder","247801","2020-10-21","18:00:00",""
"7157260","7.185","0.0014","10","0.002","15.059","0.003","90","","90","","90","","1082","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 K O9 S -","- C6 H12.697 K O9 S -","- C24 H50.788 K4 O36 S4 -","4","1","","Zhang, Yunyang; Mui, Janice W.-Y.; Arumaperuma, Thimali; Lingford, James P.; Goddard-Borger, Ethan D; White, Jonathan M.; Williams, Spencer J.","Concise synthesis of sulfoquinovose and sulfoquinovosyl diacylglycerides, and development of a fluorogenic substrate for sulfoquinovosidases.","Organic & biomolecular chemistry","2020","18","4","675","686","10.1039/c9ob02540e","","","0.710757","Synchrotron","","0.1384","0.0746","","","0.1829","0.2177","","","","","","1.038","","","","has coordinates,has disorder","247807","2020-10-21","18:00:00",""
"7157265","7.7797","0.0003","13.9645","0.0007","21.3823","0.001","90","","90","","90","","2322.96","0.18","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 O4 -","- C28 H36 O4 -","- C112 H144 O16 -","4","1","","Mayorquín-Torres, Martha C; González-Orozco, Juan Carlos; Flores-Álamo, Marcos; Camacho-Arroyo, Ignacio; Iglesias-Arteaga, Martín A","Palladium catalyzed synthesis of benzannulated steroid spiroketals.","Organic & biomolecular chemistry","2020","18","4","725","737","10.1039/c9ob02255d","","","1.54184","CuKα","","0.0402","0.0367","","","0.0913","0.0941","","","","","","1.046","","","","has coordinates","247813","2020-10-21","18:00:00",""
"7157275","5.5128","0.0006","14.1945","0.0018","20.649","0.003","90","","90","","90","","1615.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Zhou, Hui; Wang, Rui; Zhang, Hui; Chen, Wei; Lu, Xiao-Bing","Access to 1,3-oxazine-2,4-diones/1,3-thiazine-2,4-diones via organocatalytic CO<sub>2</sub>/COS incorporation into allenamides.","Organic & biomolecular chemistry","2020","18","5","905","911","10.1039/c9ob02398d","","","0.71073","MoKα","","0.1723","0.0643","","","0.1311","0.1734","","","","","","0.964","","","","has coordinates","249033","2020-10-21","18:00:00",""
"7157293","7.14999","0.00013","12.6963","0.0002","20.1516","0.0004","90","","90","","90","","1829.33","0.06","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C80 H104 O12 S4 -","4","1","","Hosokawa, Seijiro; Nakanishi, Keisuke; Udagawa, Yutaro; Maeda, Mitsutoshi; Sato, Seiya; Nakano, Keiji; Masuda, Toshiya; Ichikawa, Yoshiyasu","Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products.","Organic & biomolecular chemistry","2020","18","4","687","693","10.1039/c9ob02249j","","","1.54187","CuKα","","0.0371","0.0369","","","0.0965","0.0967","","","","","","1.015","","","","has coordinates","247810","2020-10-21","18:00:00",""
"7157305","7.7487","0.0017","8.3925","0.0019","21.639","0.005","90","","90","","90","","1407.2","0.6","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H8 I2 N2 -","- C14 H8 I2 N2 -","- C56 H32 I8 N8 -","4","1","","Saha, Moumita; Das, Asish R.","Hypervalent iodine promoted ortho diversification: 2-aryl benzimidazole, quinazoline and imidazopyridine as directing templates.","Organic & biomolecular chemistry","2020","18","5","941","955","10.1039/c9ob02533b","","","0.71073","MoKα","","0.02","0.0188","","","0.0426","0.0429","","","","","","1.143","","","","has coordinates","249030","2020-10-21","18:00:00",""
"7157307","11.3336","0.0002","16.1275","0.0003","18.2549","0.0003","90","","90","","90","","3336.68","0.1","299.99","0.1","299.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 O7 -","- C35 H48 O7 -","- C140 H192 O28 -","4","1","","Hou, Ji-Qin; Yu, Jiang-Hong; Zhao, Heng; Dong, Ying-Ying; Peng, Qiu-Shi; Zhang, Bao-Bao; Wang, Hao","Biomimetic total syntheses of baefrutones A-D, baeckenon B, and frutescones A, D-F.","Organic & biomolecular chemistry","2020","18","6","1135","1139","10.1039/c9ob02490e","","x-ray","1.54184","CuKα","","0.0551","0.0462","","","0.1338","0.1448","","","","","","1.057","","","","has coordinates","249035","2020-10-21","18:00:00",""
"7157334","5.6493","0.0002","14.4444","0.0007","21.6781","0.0009","90","","90","","90","","1768.95","0.13","297.6","0.1","297.6","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl F3 O4 -","- C16 H16 Cl F3 O4 -","- C64 H64 Cl4 F12 O16 -","4","1","","Yang, Hongzhou; Wang, Qingqing; Luo, Yuan; Ye, Ling; Li, Xinying; Chen, Feng; Zhao, Zhigang; Li, Xuefeng","Enantioselective synthesis of trifluoromethyl substituted cyclohexanones via an organocatalytic cascade Michael/aldol reaction.","Organic & biomolecular chemistry","2020","18","8","1607","1611","10.1039/d0ob00004c","","x-ray","1.54184","CuKα","","0.083","0.0765","","","0.1951","0.2084","","","","","","1.034","","","","has coordinates,has disorder","249025","2020-10-21","18:00:00",""
"7157351","6.7572","0.0004","14.284","0.0007","23.8212","0.0014","90","","90","","90","","2299.2","0.2","170","2","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Br O4 -","- C25 H31 Br O4 -","- C100 H124 Br4 O16 -","4","1","","Miao, Jianzhuang; Zheng, Yi-Xuan; Wang, Linna; Lu, Shi-Chao; Zhang, Shi-Peng; Gong, Ya-Ling; Xu, Shu","Toward the total synthesis of grayanane diterpene mollanol A by a Prins [3 + 2] strategy.","Organic & biomolecular chemistry","2020","18","10","1877","1880","10.1039/d0ob00160k","","","0.71073","MoKα","","0.0966","0.0514","","","0.087","0.1015","","","","","","1.03","","","","has coordinates","250357","2020-10-21","18:00:00",""
"7157370","5.9119","0.0018","15.078","0.005","23.745","0.007","90","","90","","90","","2116.6","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 N O -","- C24 H31 N O -","- C96 H124 N4 O4 -","4","1","","Cao, An-Zhu; Xiao, Yu-Ting; Wu, Yan-Chen; Song, Ren-Jie; Xie, Ye-Xiang; Li, Jin-Heng","Copper-catalyzed C-H [3 + 2] annulation of N-substituted anilines with α-carbonyl alkyl bromides via C(sp<sup>3</sup>)-Br/C(sp<sup>2</sup>)-H functionalization.","Organic & biomolecular chemistry","2020","18","11","2170","2174","10.1039/d0ob00399a","","","0.71073","MoKα","","0.0502","0.0435","","","0.1197","0.126","","","","","","1.014","","","","has coordinates","250372","2020-10-21","18:00:00",""
"7157382","7.6786","0.0003","10.5655","0.0004","40.1904","0.0016","90","","90","","90","","3260.6","0.2","100","2","100","2","","","","","","","Xylaria longipes","3","P 21 21 21","P 2ac 2ab","19","","Xylarilongipin B","","- C20 H28 O3 -","- C20 H28 O3 -","- C160 H224 O24 -","8","2","","Chen, He-Ping; Li, Jing; Zhao, Zhen-Zhu; Li, Xinyang; Liu, Shui-Lin; Wang, Qing-Yuan; Liu, Ji-Kai","Diterpenes with bicyclo[2.2.2]octane moieties from the fungicolous fungus Xylaria longipes HFG1018.","Organic & biomolecular chemistry","2020","18","13","2410","2415","10.1039/d0ob00220h","","","1.54178","CuKα","","0.0833","0.0672","","","0.1827","0.2112","","","","","","1.162","","","","has coordinates","250365","2020-10-21","18:00:00",""
"7157387","9.035","0.005","11.727","0.007","13.103","0.008","90","","90","","90","","1388.3","1.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N4 S2 -","- C13 H14 N4 S2 -","- C52 H56 N16 S8 -","4","1","","Teng, Qiaoqiao; Singh, Chandan; Han, Yuan; Huynh, Han Vinh","Fused azole-thiazolines via one-pot cyclization of functionalized N-heterocyclic carbene precursors.","Organic & biomolecular chemistry","2020","18","13","2487","2491","10.1039/c9ob02548k","","","0.71073","MoKα","","0.0391","0.0369","","","0.0893","0.0906","","","","","","1.071","","","","has coordinates","250363","2020-10-21","18:00:00",""
"7157408","8.7884","0.0003","9.1062","0.0003","34.664","0.001","90","","90","","90","","2774.12","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Br Cl O4 P -","- C10 H13 Br Cl O4 P -","- C80 H104 Br8 Cl8 O32 P8 -","8","2","","Wang, Zexu; Zeng, Yiping; Wu, Xiaofan; Li, Zihan; Tao, Yuan; Yu, Xiaomin; Huang, Zedu; Chen, Fener","Access to chiral α-substituted-β-hydroxy arylphosphonates enabled by biocatalytic dynamic reductive kinetic resolution.","Organic & biomolecular chemistry","2020","18","14","2672","2677","10.1039/d0ob00379d","","","1.34138","GaKα","","0.0441","0.0424","","","0.1136","0.1148","","","","","","1.057","","","","has coordinates","251726","2020-10-21","18:00:00",""
"7157409","5.7158","0.0008","16.615","0.002","19.036","0.002","90","","90","","90","","1807.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O6 -","- C18 H21 N O6 -","- C72 H84 N4 O24 -","4","1","","Popik, Oskar; Grzeszczyk, Barbara; Staszewska-Krajewska, Olga; Furman, Bartłomiej; Chmielewski, Marek","Synthesis of β-lactams via diastereoselective, intramolecular Kinugasa reactions.","Organic & biomolecular chemistry","2020","18","15","2852","2860","10.1039/d0ob00228c","","","1.54178","CuKα","","0.0583","0.0427","","","0.1027","0.1132","","","","","","1.017","","","","has coordinates","251733","2020-10-21","18:00:00",""
"7157412","8.532","0.0007","11.8108","0.0008","14.1961","0.001","90","","90","","90","","1430.54","0.18","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 B F O2 -","- C16 H20 B F O2 -","- C64 H80 B4 F4 O8 -","4","1","","Martínez-Aguirre, Mayte A; Flores-Alamo, Marcos; Medrano, Felipe; Yatsimirsky, Anatoly K.","Examination of pinanediol-boronic acid ester formation in aqueous media: relevance to the relative stability of trigonal and tetrahedral boronate esters.","Organic & biomolecular chemistry","2020","18","14","2716","2726","10.1039/d0ob00201a","","","0.71073","MoKα","","0.0625","0.0448","","","0.0896","0.0994","","","","","","1.044","","","","has coordinates,has disorder","251727","2020-10-21","18:00:00",""
"7157413","6.2351","0.0005","12.5482","0.0009","20.861","0.0015","90","","90","","90","","1632.1","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 B O3 -","- C18 H25 B O3 -","- C72 H100 B4 O12 -","4","1","","Martínez-Aguirre, Mayte A; Flores-Alamo, Marcos; Medrano, Felipe; Yatsimirsky, Anatoly K.","Examination of pinanediol-boronic acid ester formation in aqueous media: relevance to the relative stability of trigonal and tetrahedral boronate esters.","Organic & biomolecular chemistry","2020","18","14","2716","2726","10.1039/d0ob00201a","","","0.71073","MoKα","","0.073","0.0509","","","0.1013","0.1159","","","","","","1.059","","","","has coordinates","251727","2020-10-21","18:00:00",""
"7157415","10.3478","0.001","14.7058","0.0014","18.6178","0.0017","90","","90","","90","","2833.1","0.5","296","2","296","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","N-diarylmethane substituted isoxazolinones","(R)-2-((2-chlorophenyl)(3,5-di-tert-butyl-4-hydroxyphenyl)methyl)-4-methyl-3-phenylisoxazol-5(2H)-one","","- C31 H34 Cl N O3 -","- C31 H34 Cl N O3 -","- C124 H136 Cl4 N4 O12 -","4","1","","Qi, Suo-Suo; Jiang, Zhen-Hui; Chu, Ming-Ming; Wang, Yi-Feng; Chen, Xue-Yang; Ju, Wan-Zhen; Xu, Dan-Qian","Regioselective catalytic asymmetric N-alkylation of isoxazol-5-ones with para-quinone methides.","Organic & biomolecular chemistry","2020","18","13","2398","2404","10.1039/d0ob00393j","","","0.71073","MoKα","","0.0526","0.0407","","","0.0955","0.1045","","","","","","1.022","","","","has coordinates","250368","2020-10-21","18:00:00",""
"7157418","7.5756","0.0008","8.7063","0.0006","19.34","0.003","90","","90","","90","","1275.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 O2 S -","- C15 H12 O2 S -","- C60 H48 O8 S4 -","4","1","","Gharui, Chandan; Prakash, Satya; Chopra, Deepak; Pan, Subhas Chandra","Organocatalytic asymmetric addition of thioglycolates to o-quinone methides: a route to 5-substituted-5H-benzoxathiepine-2(3H)-ones.","Organic & biomolecular chemistry","2020","18","15","2828","2833","10.1039/d0ob00568a","","","0.71073","MoKα","","0.1424","0.0683","","","0.1007","0.1308","","","","","","1.006","","","","has coordinates","251730","2020-10-21","18:00:00",""
"7157420","12.9764","0.0011","14.3781","0.0012","17.5765","0.0015","90","","90","","90","","3279.4","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 O2 P2 -","- C37 H40 O2 P2 -","- C148 H160 O8 P8 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0836","0.0522","","","0.1025","0.1121","","","","","","0.954","","","","has coordinates","251719","2020-10-21","18:00:00",""
"7157421","13.2801","0.0012","14.3298","0.0013","17.9616","0.0015","90","","90","","90","","3418.1","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 O2 P2 -","- C38 H42 O2 P2 -","- C152 H168 O8 P8 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0952","0.0492","","","0.0805","0.0912","","","","","","1.03","","","","has coordinates","251719","2020-10-21","18:00:00",""
"7157422","8.8154","0.0007","11.3911","0.0009","24.121","0.002","90","","90","","90","","2422.2","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 O3 P -","- C26 H33 O3 P -","- C104 H132 O12 P4 -","4","1","","Qiu, Mao-Ran; Zheng, Hong-Xing; Ye, Jing-Jing; Yan, Bing-Xia; Zhao, Chang-Qiu; Li, Qiang","Stereoselective preparation of P,axial-stereogenic allenyl bisphosphine oxides via chirality-transfer.","Organic & biomolecular chemistry","2020","18","16","3017","3021","10.1039/d0ob00390e","","","0.71073","MoKα","","0.0773","0.0443","","","0.0963","0.1113","","","","","","1.028","","","","has coordinates","251719","2020-10-21","18:00:00",""
"7157427","6.0742","0.0007","8.6056","0.001","43.665","0.005","90","","90","","90","","2282.5","0.5","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 O2 S -","- C28 H28 O2 S -","- C112 H112 O8 S4 -","4","1","","Chen, Jian-Ping; Xu, Ming-Hua","Chiral diene-promoted room temperature conjugate arylation: highly enantioselective synthesis of substituted chiral phenylalanine derivatives and α,α-di(arylmethyl)acetates.","Organic & biomolecular chemistry","2020","18","24","4569","4574","10.1039/d0ob00616e","","","0.71073","MoKα","","0.1762","0.0603","","","0.083","0.114","","","","","","0.907","","","","has coordinates","253972","2020-10-21","18:00:00",""
"7157433","6.0543","0.0009","8.5333","0.0014","34.582","0.006","90","","90","","90","","1786.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C76 H104 N8 O8 -","4","1","","Pan, Changduo; Huang, Gao; Shan, Yujia; Li, Yiting; Yu, Jin-Tao","Rh(iii)-Catalyzed regioselective C4 alkylation of indoles with allylic alcohols: direct access to β-indolyl ketones.","Organic & biomolecular chemistry","2020","18","16","3038","3042","10.1039/d0ob00396d","","","0.71073","MoKα","","0.1121","0.0779","","","0.2075","0.2301","","","","","","1.078","","","","has coordinates","251725","2020-10-21","18:00:00",""
"7157443","6.576","0.0004","16.9049","0.001","17.5937","0.0008","90","","90","","90","","1955.83","0.19","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 N2 O2 S -","- C24 H18 N2 O2 S -","- C96 H72 N8 O8 S4 -","4","1","","Arcadi, Antonio; Aschi, Massimiliano; Chiarini, Marco; Marinelli, Fabio; Marsicano, Vincenzo; Portalone, Gustavo","Experimental results and computational insight into sequential reactions of β-(2-aminophenyl)-α,β-ynones with aryl isocyanates/benzoyl isothiocyanate.","Organic & biomolecular chemistry","2020","18","16","3177","3189","10.1039/d0ob00087f","","","0.710689","MoKα","","0.0869","0.0594","","","0.1246","0.1399","","","","","","1.04","","","","has coordinates","251718","2020-10-21","18:00:00",""
"7157485","6.61847","0.00005","9.54","0.00006","44.1844","0.0003","90","","90","","90","","2789.81","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O4 -","- C29 H48 O3 -","- C116 H192 O12 -","4","1","","Xiao, Long-Gao; Zhang, Yu; Zhang, Hong-Li; Li, Ding; Gu, Qiong; Tang, Gui-Hua; Yu, Qian; An, Lin-Kun","Spiroconyone A, a new phytosterol with a spiro [5,6] ring system from Conyza japonica.","Organic & biomolecular chemistry","2020","18","27","5130","5136","10.1039/d0ob00666a","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0714","0.072","","","","","","1.038","","","","has coordinates","255090","2020-10-21","18:00:00",""
"7157497","6.4978","0.0004","14.5164","0.0014","16.2262","0.0014","90","","90","","90","","1530.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 N O3 S2 -","- C17 H11 N O3 S2 -","- C68 H44 N4 O12 S8 -","4","1","","Mondal, Santa; Mahato, Karuna; Arora, Neha; Kankane, Dheerendra; Singh, Umed Pratap; Ali, Saghir; Khan, Aftab Hossain; Ghosh, Siddhartha S.; Khan, Abu T.","Newly synthesized 3-sulfenylindole derivatives from 4-hydroxydithiocoumarin using an oxidative cross dehydrogenative coupling reaction (OCDCR): potential lead molecules for antiproliferative activity.","Organic & biomolecular chemistry","2020","18","21","4104","4113","10.1039/d0ob00054j","","","0.71073","MoKα","","0.0933","0.0576","","","0.09","0.1094","","","","","","1.011","","","","has coordinates","252930","2020-10-21","18:00:00",""
"7157500","12.008","0.001","13.0066","0.001","34.139","0.002","90","","90","","90","","5331.9","0.7","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C57 H77 N O6 -","- C57 H77 N O6 -","- C228 H308 N4 O24 -","4","1","","Peng, Xiaogang; Duan, Fangfang; He, Yangzhou; Gao, Ying; Chen, Juan; Chang, Jinling; Ruan, Hanli","Ergocytochalasin A, a polycyclic merocytochalasan from an endophytic fungus Phoma multirostrata XJ-2-1.","Organic & biomolecular chemistry","2020","18","21","4056","4062","10.1039/d0ob00701c","","x-ray","1.54184","CuKα","","0.0366","0.0362","","","0.0954","0.0958","","","","","","1.05","","","","has coordinates","252929","2020-10-21","18:00:00",""
"7157535","8.1104","0.0002","19.5548","0.0006","27.2321","0.0019","90","","90","","90","","4318.9","0.3","164","2","164","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Cl N3 O14 -","- C44 H45.9996 Cl N3 O14 -","- C176 H183.998 Cl4 N12 O56 -","4","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","","1.54178","CuKα","","0.0813","0.0625","","","0.1705","0.1892","","","","","","1.095","","","","has coordinates,has disorder","253981","2020-10-21","18:00:00",""
"7157536","8.0833","0.0002","18.7876","0.0007","26.8116","0.0012","90","","90","","90","","4071.8","0.3","120","2","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H45 N3 O14 -","- C43 H45 N3 O14 -","- C172 H180 N12 O56 -","4","1","","Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf","Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.","Organic & biomolecular chemistry","2020","18","25","4728","4733","10.1039/d0ob00671h","","x-ray","1.54184","CuKα","","0.0721","0.0564","","","0.1354","0.1464","","","","","","1.054","","","","has coordinates","253981","2020-10-21","18:00:00",""
"7157550","7.2231","0.0002","14.5123","0.0004","22.3944","0.0006","90","","90","","90","","2347.47","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","5","","","- C16 H17 N -","- C16 H17 N -","- C128 H136 N8 -","8","2","","Zonker, Benjamin; Duman, Ediz; Hausmann, Heike; Becker, Jonathan; Hrdina, Radim","[1,2]-Rearrangement of iminium salts provides access to heterocycles with adamantane scaffold.","Organic & biomolecular chemistry","2020","18","26","4941","4945","10.1039/d0ob01156h","","","1.54178","CuKα","","0.0331","0.0318","","","0.0806","0.0818","","","","","","1.041","","","","has coordinates","255096","2020-10-21","18:00:00",""
"7157555","10.382","0.003","15.766","0.004","20.036","0.006","90","","90","","90","","3279.5","1.6","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H40 Br N O2 -","- C38 H40 Br N O2 -","- C152 H160 Br4 N4 O8 -","4","1","","Wu, Shu-Fang; Tu, Man-Su; Hang, Qing-Qing; Zhang, Shu; Ding, Haixia; Zhang, Yu-Chen; Shi, Feng","Construction of chiral chroman scaffolds via catalytic asymmetric (4 + 2) cyclizations of para-quinone methide derivatives with 3-vinylindoles.","Organic & biomolecular chemistry","2020","18","28","5388","5399","10.1039/d0ob01049a","","","0.71073","MoKα","","0.1011","0.0594","","","0.1422","0.1594","","","","","","1.031","","","","has coordinates","255086","2020-10-21","18:00:00",""
"7157564","10.295","0.009","11.374","0.008","36.37","0.03","90","","90","","90","","4259","6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 N6 O7 S2 -","- C46 H45 N6 O7 S2 -","- C184 H180 N24 O28 S8 -","4","1","","Salunke, Rahul Vilas; Mishra, Pawan Kumar; Sanghvi, Yogesh S.; Ramesh, Namakkal G.","Synthesis of novel homoazanucleosides and their peptidyl analogs.","Organic & biomolecular chemistry","2020","18","29","5639","5651","10.1039/d0ob01046d","","","0.71073","MoKα","","0.3148","0.1246","","","0.2737","0.3622","","","","","","1","","","","has coordinates","255077","2020-10-21","18:00:00",""
"7157565","5.4636","0.001","15.231","0.003","18.032","0.004","90","","90","","90","","1500.6","0.5","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Cl2 N4 O4 -","- C11 H20 Cl2 N4 O4 -","- C44 H80 Cl8 N16 O16 -","4","1","","Salunke, Rahul Vilas; Mishra, Pawan Kumar; Sanghvi, Yogesh S.; Ramesh, Namakkal G.","Synthesis of novel homoazanucleosides and their peptidyl analogs.","Organic & biomolecular chemistry","2020","18","29","5639","5651","10.1039/d0ob01046d","","","0.71073","MoKα","","0.0587","0.0524","","","0.1395","0.1438","","","","","","1.086","","","","has coordinates","255077","2020-10-21","18:00:00",""
"7157566","12.1801","0.00012","12.77485","0.0001","25.8213","0.0002","90","","90","","90","","4017.77","0.06","100","0.1","100.01","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Cl Fe2 N2 O2 P Pd2 -","- C44 H46 Cl Fe2 N2 O2 P Pd2 -","- C176 H184 Cl4 Fe8 N8 O8 P4 Pd8 -","4","1","","Arthurs, Ross A.; Hughes, David L.; Richards, Christopher J.","Planar chiral palladacycle precatalysts for asymmetric synthesis.","Organic & biomolecular chemistry","2020","18","28","5466","5472","10.1039/d0ob01331e","","x-ray","0.71073","MoKα","","0.015","0.0147","","","0.0377","0.0378","","","","","","1.068","","","","has coordinates","255088","2020-10-21","18:00:00",""
"7157590","8.3946","0.0002","11.481","0.0003","15.2872","0.0004","90","","90","","90","","1473.36","0.06","292.64","0.1","292.64","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Ren, Panlong; Miao, Xinyu; Tang, Ting; Wu, Yueting; Wang, Jing; Zeng, Ying; Li, Yun; Gao, Kun; Yang, Yan-Long","Construction of a meroterpenoid-like compound collection by precursor-assisted biosynthesis.","Organic & biomolecular chemistry","2020","18","30","5850","5856","10.1039/d0ob01235a","","","1.54184","CuKα","","0.0319","0.0288","","","0.0696","0.0718","","","","","","1.053","","","","has coordinates","257918","2020-10-21","18:00:00",""
"7157620","9.29096","0.00014","14.5006","0.0002","20.3184","0.0003","90","","90","","90","","2737.39","0.07","291.6","0.2","291.6","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N7 O12 -","- C20 H27 N7 O12 -","- C80 H108 N28 O48 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","1.54184","CuKα","","0.0574","0.054","","","0.143","0.1492","","","","","","1.038","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157622","8.6304","0.0006","10.8741","0.0009","22.9325","0.0014","90","","90","","90","","2152.2","0.3","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl3 N6 O8 -","- C14 H16 Cl3 N6 O8 -","- C56 H64 Cl12 N24 O32 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0806","0.0594","","","0.142","0.1562","","","","","","1.03","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157623","8.6075","0.0007","10.7485","0.0009","33.736","0.003","90","","90","","90","","3121.2","0.5","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N10 O10 -","- C18 H24 N10 O10 -","- C72 H96 N40 O40 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0974","0.0717","","","0.1976","0.2188","","","","","","0.966","","","","has coordinates","256172","2020-10-21","18:00:00",""
"7157624","7.2784","0.0007","9.2019","0.001","26.166","0.003","90","","90","","90","","1752.5","0.3","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N6 O8 -","- C13 H16 N6 O8 -","- C52 H64 N24 O32 -","4","1","","He, Huan; Cao, Ruiyuan; Cao, Ruidi; Liu, Xiao-Yu; Li, Wei; Yu, Di; Li, Yuexiang; Liu, Miaomiao; Wu, Yanmei; Wu, Pingzhou; Yang, Jin-Song; Yan, Yunzheng; Yang, Jingjing; Zheng, Zhi-Bing; Zhong, Wu; Qin, Yong","A light- and heat-driven glycal diazidation approach to nitrogenous carbohydrate derivatives with antiviral activity.","Organic & biomolecular chemistry","2020","18","31","6155","6161","10.1039/d0ob01172j","","x-ray","0.71073","MoKα","","0.0687","0.0461","","","0.0845","0.095","","","","","","1.018","","","","has coordinates,has disorder","256172","2020-10-21","18:00:00",""
"7157629","7.5291","0.0008","7.4902","0.0008","17.0281","0.0019","90","","90","","90","","960.29","0.18","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Braire, Julien; Dorcet, Vincent; Vidal, Joëlle; Lalli, Claudia; Carreaux, François","BINOL derivatives-catalysed enantioselective allylboration of isatins: application to the synthesis of (R)-chimonamidine.","Organic & biomolecular chemistry","2020","18","31","6042","6046","10.1039/d0ob01386b","","x-ray","1.54178","CuKα","","0.0385","0.0376","","","0.1034","0.1042","","","","","","1.146","","","","has coordinates","256175","2020-10-21","18:00:00",""
"7157630","7.3607","0.0008","8.0406","0.0011","17.598","0.002","90","","90","","90","","1041.5","0.2","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Braire, Julien; Dorcet, Vincent; Vidal, Joëlle; Lalli, Claudia; Carreaux, François","BINOL derivatives-catalysed enantioselective allylboration of isatins: application to the synthesis of (R)-chimonamidine.","Organic & biomolecular chemistry","2020","18","31","6042","6046","10.1039/d0ob01386b","","x-ray","1.54178","CuKα","","0.1305","0.083","","","0.2006","0.2428","","","","","","1.015","","","","has coordinates","256175","2020-10-21","18:00:00",""
"7157638","9.4421","0.0002","14.8451","0.0004","19.2118","0.0004","90","","90","","90","","2692.9","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3 S4 -","- C28 H30 N2 O3 S4 -","- C112 H120 N8 O12 S16 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.0433","0.0401","","","0.0987","0.1003","","","","","","1.05","","","","has coordinates","256159","2020-10-21","18:00:00",""
"7157640","12.482","0.0004","12.8583","0.0005","19.5132","0.0007","90","","90","","90","","3131.82","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H26 N2 O3 S4 -","- C34 H26 N2 O3 S4 -","- C136 H104 N8 O12 S16 -","4","1","","García de la Concepción, Juan; Ávalos, Martín; Jiménez, José L; Cintas, Pedro; Light, Mark E.","A fully diastereoselective oxidation of a mesoionic dipole with triplet molecular oxygen.","Organic & biomolecular chemistry","2020","18","32","6328","6339","10.1039/d0ob01428a","","x-ray","0.71073","MoKα","","0.069","0.0555","","","0.0856","0.0887","","","","","","1.113","","","","has coordinates","256159","2020-10-21","18:00:00",""
"7157651","10.5857","0.0003","14.0014","0.0004","17.5197","0.0005","90","","90","","90","","2596.68","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl5 D N3 O4 S2 -","- C20 H23 Cl5 D N3 O4 S2 -","- C80 H92 Cl20 D4 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0286","0.0267","","","0.0648","0.0658","","","","","","1.056","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157654","10.4481","0.0002","14.3121","0.0003","16.4591","0.0003","90","","90","","90","","2461.2","0.08","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl3 D F2 N3 O4 S2 -","- C20 H23 Cl3 D F2 N3 O4 S2 -","- C80 H92 Cl12 D4 F8 N12 O16 S8 -","4","1","","Kletskov, Alexey V.; Zatykina, Anastasya D.; Grudova, Mariya V.; Sinelshchikova, Anna A.; Grigoriev, Mikhail S.; Zaytsev, Vladimir P.; Gil, Diego M.; Novikov, Roman A.; Zubkov, Fedor I.; Frontera, Antonio","Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group.","Organic & biomolecular chemistry","2020","18","41","8386","8394","10.1039/d0ob01201g","","","0.71073","MoKα","","0.0417","0.0347","","","0.0796","0.083","","","","","","1.028","","","","has coordinates","258952","2020-11-06","13:08:25",""
"7157667","5.0392","0.0002","8.4897","0.0003","38.3953","0.0013","90","","90","","90","","1642.6","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H30 O S2 -","- C15 H30 O S2 -","- C60 H120 O4 S8 -","4","1","","Scheutz, Georg M.; Rowell, Jonathan L.; Wang, Fu-Sheng; Abboud, Khalil A.; Peng, Chi-How; Sumerlin, Brent S.","Synthesis of functional 1,2-dithiolanes from 1,3-bis-<i>tert</i>-butyl thioethers.","Organic & biomolecular chemistry","2020","18","33","6509","6513","10.1039/d0ob01577f","","","0.71073","MoKα","","0.0313","0.0278","","","0.0689","0.0712","","","","","","1.1","","","","has coordinates","256165","2020-10-21","18:00:00",""
"7157675","7.2273","0.0003","12.6042","0.0005","29.1348","0.0012","90","","90","","90","","2654.02","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 N O4 -","- C34 H25 N O4 -","- C136 H100 N4 O16 -","4","1","","Mu, Yuanyang; Yuan, Yang; Wang, Ye; Xu, Murong; Feng, Ye; Zhao, Yulei; Li, Yanzhong","Synthesis of indoline-fused eight-membered azaheterocycles through Zn-catalyzed dearomatization of indoles and subsequent base-promoted C-C activation.","Organic & biomolecular chemistry","2020","18","35","6916","6926","10.1039/d0ob01626h","","","0.71073","MoKα","","0.0514","0.0372","","","0.0837","0.0931","","","","","","1.012","","","","has coordinates","258977","2020-11-06","13:14:22",""
"7157711","7.0307","0.001","8.666","0.001","25.171","0.005","90","","90","","90","","1533.6","0.4","150","2","150","2","","","","","","","Aleurites moluccanus","3","P 21 21 21","P 2ac 2ab","19","","rel-(5β,8α,10α)-8-hydroxy-13-methylpodocarpa-9(11),13-diene-3,12-dione","","- C18 H24 O3 -","- C18 H24 O3 -","- C72 H96 O12 -","4","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.1349","0.0728","","","0.1698","0.2208","","","","","","1.079","","","","has coordinates","258958","2020-11-06","13:09:25",""
"7157712","7.526","0.0004","13.1519","0.0007","17.4059","0.0016","90","","90","","90","","1722.9","0.2","200","2","200","2","","","","","","","twigs of Aleurites moluccanus","3","P 21 21 21","P 2ac 2ab","19","","aleuritone","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Chang, Fang-Rong; Wang, Shih-Wei; Chen, Shu-Rong; Lee, Ching-Ying; Sheu, Jyh-Horng; Cheng, Yuan-Bin","Aleuritin, a novel dinor-diterpenoid from the twigs of <i>Aleurites moluccanus</i> with an anti-lymphangiogenic effect.","Organic & biomolecular chemistry","2020","18","39","7892","7898","10.1039/d0ob01527j","","","1.54178","CuKα","","0.076","0.0584","","","0.1406","0.1535","","","","","","0.958","","","","has coordinates","258958","2020-11-06","13:09:25",""
"7157731","7.2801","0.0002","9.9611","0.0003","18.9298","0.0005","90","","90","","90","","1372.75","0.07","111.65","0.1","111.65","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.036","0.035","","","0.0892","0.09","","","","","","1.075","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157733","7.1617","0.0001","9.7401","0.0002","18.6984","0.0003","90","","90","","90","","1304.32","0.04","100.02","0.1","100.02","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Yan, Hai-Wei; Zhang, Xu; Yang, Ya-Nan; Feng, Zi-Ming; Jiang, Jian-Shuang; Zhang, Pei-Cheng","Archromones A-F, unusual polycyclic dearomatic geranylquinol derivatives from the roots of <i>Arnebia euchroma</i>.","Organic & biomolecular chemistry","2020","18","41","8424","8432","10.1039/d0ob01934h","","x-ray","1.54184","CuKα","","0.0362","0.0334","","","0.0853","0.0868","","","","","","1.085","","","","has coordinates","258950","2020-11-06","13:07:50",""
"7157740","5.6056","0.0006","17.422","0.002","22.161","0.002","90","","90","","90","","2164.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F N3 -","- C26 H24 F N3 -","- C104 H96 F4 N12 -","4","1","","Tiwari, Vibha; Bingham, Jacob T.; Vyas, Shubham; Singh, Anand","Intermolecular fluoroamination of allenes towards substituted vinyl fluorides","Organic & Biomolecular Chemistry","2020","18","44","9044","9049","10.1039/D0OB01697G","","","0.71073","MoKα","","0.1026","0.0684","","","0.1064","0.1217","","","","","","1.034","","","","has coordinates","259436","2020-12-02","05:21:41",""
"7157745","9.3208","0.0003","15.9714","0.0005","19.0521","0.0006","90","","90","","90","","2836.21","0.16","133.15","","133.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N2 O2 -","- C36 H32 N2 O2 -","- C144 H128 N8 O8 -","4","1","","Yao, Chao; Wu, Piao; Huang, Yue; Chen, Yaoqi; Li, Lin; Li, Yue-Ming","Binaphthyl-based chiral ligands: design, synthesis and evaluation of their performance in enantioselective addition of diethylzinc to aromatic aldehydes.","Organic & biomolecular chemistry","2020","18","47","9712","9725","10.1039/d0ob02127j","","x-ray","0.71073","MoKα","","0.0537","0.0426","","","0.093","0.0993","","","","","","1.042","","","","has coordinates,has disorder","260816","2021-01-07","07:07:10",""
"7157758","7.7357","0.0005","14.3256","0.0009","22.7397","0.0014","90","","90","","90","","2520","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Chiral Iridicyle 2","Chiral Iridicyle 2","","- C31 H31 Cl Ir N O -","- C31 H31 Cl Ir N O -","- C124 H124 Cl4 Ir4 N4 O4 -","4","1","","Smith, Jennifer; Kacmaz, Aysecik; Wang, Chao; Villa-Marcos, Barbara; Xiao, Jianliang","Chiral cyclometalated iridium complexes for asymmetric reduction reactions.","Organic & biomolecular chemistry","2021","19","1","279","284","10.1039/d0ob02049d","","","0.71073","MoKα","","0.0154","0.0146","","","0.0332","0.0334","","","","","","1.028","","","","has coordinates","261757","2021-02-04","23:30:19",""
"7157774","10.4037","0.0001","10.6504","0.0001","13.4206","0.0001","90","","90","","90","","1487.05","0.02","150","","150","","","","","","","","from U of Wollongong","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cl N O2 -","- C17 H20 Cl N O2 -","- C68 H80 Cl4 N4 O8 -","4","1","","Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.","Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.","Organic & biomolecular chemistry","2021","19","1","259","272","10.1039/d0ob02075c","","x-ray","1.54184","CuKα","","0.0341","0.034","","0.0921","0.0919","0.0921","","","","","","1.0026","","","","has coordinates","261758","2021-02-04","23:30:28",""
"7157791","6.859","0.0005","17.0662","0.0011","19.6709","0.001","90","","90","","90","","2302.6","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 -","- C28 H30 N2 -","- C112 H120 N8 -","4","1","","Gadigennavar, Savita; Ranganathan, Madhav; Sankararaman, Sethuraman","Which isomer is it, 1,2,5,6- or 1,4,5,8-tetrasubstituted cycloocta-1,3,5,7-tetraene? Synthesis of symmetrically tetrasubstituted cycloocta-1,3,5,7-tetraene derivatives","Organic & Biomolecular Chemistry","2020","18","45","9284","9291","10.1039/D0OB01871F","","","0.71073","MoKα","","0.0893","0.0459","","","0.0917","0.1133","","","","","","0.979","","","","has coordinates","259461","2020-12-02","05:37:33",""
"7157794","8.0223","0.0001","13.6842","0.0001","21.6959","0.0001","90","","90","","90","","2381.75","0.04","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 O7 -","- C26 H32 O7 -","- C104 H128 O28 -","4","1","","Kikuchi, Takashi; Akita, Keiko; Koike, Hiroki; In, Yasuko; Yamada, Takeshi; Tanaka, Reiko","Carapanins A‒C: new limonoids from andiroba (Carapa guianensis) fruit oil","Organic & Biomolecular Chemistry","2020","18","45","9268","9274","10.1039/D0OB01872D","","","1.54184","CuKα","","0.0335","0.033","","","0.0938","0.0941","","","","","","1.11","","","","has coordinates","259462","2020-12-02","05:38:34",""
"7157804","9.5125","0.0009","10.2643","0.001","14.9575","0.0014","90","","90","","90","","1460.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","","Gao, Yu-Qi; Hou, Yi; Chen, Junhan; Zhen, Yanxia; Xu, Dongyang; Zhang, Hongli; Wei, Hongbo; Xie, Weiqing","Asymmetric synthesis of 9-alkyl tetrahydroxanthenones <i>via</i> tandem asymmetric Michael/cyclization promoted by chiral phosphoric acid.","Organic & biomolecular chemistry","2021","19","2","348","354","10.1039/d0ob02140g","","","1.54178","CuKα","","0.0351","0.029","","","0.0795","0.0817","","","","","","1.047","","","","has coordinates","261762","2021-02-04","23:30:57",""
"7157830","8.9919","0.0002","12.2777","0.0002","14.0831","0.0003","90","","90","","90","","1554.77","0.05","153","","153","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C72 H68 N4 O12 -","4","1","","Chang, Zhiqian; Zhu, Huilong; Wu, Changhui; Xing, Junhao; Dou, Xiaowei","A rhodium-catalysed conjugate addition/cyclization cascade for the asymmetric synthesis of 2-amino-4H-chromenes.","Organic & biomolecular chemistry","2021","19","4","785","788","10.1039/d0ob02404j","","","1.54178","CuKα","","0.0355","0.0324","","","0.0807","0.0834","","","","","","1.087","","","","has coordinates","262713","2021-03-05","02:24:31",""
"7157837","4.9355","0.0004","9.9998","0.0008","44.492","0.003","90","","90","","90","","2195.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Br N2 O5 -","- C24 H25 Br N2 O5 -","- C96 H100 Br4 N8 O20 -","4","1","","Marshall, James W.; de Mattos-Shipley, Kate M J; Ghannam, Iman A. Y.; Munawar, Asifa; Killen, Jonathan C.; Lazarus, Colin M.; Cox, Russell J.; Willis, Christine L.; Simpson, Thomas J.","Fusarochromene, a novel tryptophan-derived metabolite from <i>Fusarium sacchari</i>.","Organic & biomolecular chemistry","2021","19","1","182","187","10.1039/d0ob02031a","","","1.54178","CuKα","","0.0495","0.0487","","","0.1216","0.122","","","","","","1.229","","","","has coordinates","260678","2021-01-07","04:51:02",""
"7157838","6.2936","0.0003","14.1248","0.0007","23.296","0.0009","90","","90","","90","","2070.92","0.16","293.9","0.3","293.9","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br F3 N2 O2 -","- C22 H18 Br F3 N2 O2 -","- C88 H72 Br4 F12 N8 O8 -","4","1","","Gao, Yang; Song, Xue; Yan, Ru-Jie; Du, Wei; Chen, Ying-Chun","Asymmetric β,γ'-regioselective [4 + 3] and [4 + 2] annulations of α-vinylenals <i>via</i> cascade iminium ion-dienamine catalysis.","Organic & biomolecular chemistry","2021","19","1","151","155","10.1039/d0ob02068k","","x-ray","1.54184","CuKα","","0.0674","0.0634","","","0.1675","0.1749","","","","","","1.056","","","","has coordinates","260682","2021-01-07","04:52:03",""
"7157851","10.0294","0.0004","10.8154","0.0006","19.2909","0.0009","90","","90","","90","","2092.52","0.17","292.9","0.1","292.9","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br O4 -","- C25 H21 Br O4 -","- C100 H84 Br4 O16 -","4","1","","Xu, Yan-Li; Qin, Zhou-Zhou; Wang, Yu-Xia; Zhao, Peng-Fei; Li, Hong-Feng; Du, Zhi-Hong; Da, Chao-Shan","Highly enantioselective one-pot sequential synthesis of valerolactones and pyrazolones bearing all-carbon quaternary stereocentres.","Organic & biomolecular chemistry","2021","19","7","1610","1615","10.1039/d0ob02489a","","x-ray","0.71073","MoKα","","0.074","0.0486","","","0.0865","0.0975","","","","","","1.038","","","","has coordinates","262725","2021-03-05","02:26:38",""
"7157852","7.0441","0.00019","16.2447","0.0004","18.72","0.0005","90","","90","","90","","2142.12","0.1","293.44","0.1","293.44","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Cl N2 O3 -","- C25 H23 Cl N2 O3 -","- C100 H92 Cl4 N8 O12 -","4","1","","Xu, Yan-Li; Qin, Zhou-Zhou; Wang, Yu-Xia; Zhao, Peng-Fei; Li, Hong-Feng; Du, Zhi-Hong; Da, Chao-Shan","Highly enantioselective one-pot sequential synthesis of valerolactones and pyrazolones bearing all-carbon quaternary stereocentres.","Organic & biomolecular chemistry","2021","19","7","1610","1615","10.1039/d0ob02489a","","x-ray","1.54184","CuKα","","0.0496","0.0416","","","0.0957","0.1031","","","","","","1.038","","","","has coordinates","262725","2021-03-05","02:26:38",""
"7157855","10.234","0.003","14.235","0.005","30.529","0.012","90","","90","","90","","4447","3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Cl N2 O3 -","- C26 H23 Cl N2 O3 -","- C208 H184 Cl8 N16 O24 -","8","2","","Guo, Xing; Chen, Xuling; Cheng, Yuyu; Chang, Xiaoyong; Li, Xuechen; Li, Pengfei","Organocatalytic enantioselective [2 + 4]-annulation of γ-substituted allenoates with <i>N</i>-acyldiazenes for the synthesis of optically active 1,3,4-oxadiazines.","Organic & biomolecular chemistry","2021","19","8","1727","1731","10.1039/d0ob02508a","","x-ray","0.71073","MoKα","","0.0554","0.0427","","","0.0901","0.0958","","","","","","1.02","","","","has coordinates","263831","2021-04-05","15:16:10",""
"7157865","8.2965","0.0001","8.9484","0.0002","34.1519","0.0006","90","","90","","90","","2535.45","0.08","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 N2 O3 -","- C27 H36 N2 O3 -","- C108 H144 N8 O12 -","4","1","","Kimura, Yuto; Uraguchi, Daisuke; Ooi, Takashi","Catalytic asymmetric synthesis of 5-membered alicyclic α-quaternary β-amino acids <i>via</i> [3 + 2]-photocycloaddition of α-substituted acrylates.","Organic & biomolecular chemistry","2021","19","8","1744","1747","10.1039/d1ob00126d","","","1.54187","CuKα","","0.0305","0.0301","","","0.0797","0.08","","","","","","1.058","","","","has coordinates","263826","2021-04-05","15:15:16",""
"7157880","8.626","0.0005","9.2018","0.0005","22.6467","0.0011","90","","90","","90","","1797.58","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O S2 -","- C19 H23 N O S2 -","- C76 H92 N4 O4 S8 -","4","1","","Welsh, Erin N.; Robertson, Katherine N.; Speed, Alexander W. H.","Short syntheses of 1-substituted dibenzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","9","2000","2007","10.1039/d0ob01839b","","","0.71073","MoKα","","0.0475","0.0392","","","0.0849","0.0894","","","","","","1.056","","","","has coordinates,has disorder","263836","2021-04-05","15:17:00",""
"7157901","7.40072","0.00018","9.1371","0.0003","18.7024","0.0006","90","","90","","90","","1264.68","0.07","150","0.2","150","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 F N O5 -","- C13 H14 F N O5 -","- C52 H56 F4 N4 O20 -","4","1","","Sperga, Arturs; Kazia, Armands; Veliks, Janis","Monofluorinated 5-membered rings via fluoromethylene transfer: synthesis of monofluorinated isoxazoline N-oxides.","Organic & biomolecular chemistry","2021","19","12","2688","2691","10.1039/d1ob00270h","","x-ray","1.54184","CuKα","","0.0449","0.0371","","","0.0779","0.0825","","","","","","1.202","","","","has coordinates","263855","2021-04-05","15:20:09",""
"7157918","6.577","0.0002","10.7154","0.0003","15.0191","0.0004","90","","90","","90","","1058.47","0.05","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C40 H60 N12 O8 -","4","1","","Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio","Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.","Organic & biomolecular chemistry","2021","19","12","2784","2793","10.1039/d1ob00235j","","","0.71073","MoKα","","0.0435","0.0417","","","0.1072","0.109","","","","","","1.052","","","","has coordinates","263857","2021-04-05","15:20:30",""
"7157923","5.2488","0.0002","7.5956","0.0003","33.4224","0.0012","90","","90","","90","","1332.48","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","","Liang, Leilei; Li, Ji; Shen, Baochun; Zhang, Yili; Liu, Jianping; Chen, Jingbo; Liu, Dandan","The effect of carbonyl on the isomerization of a galanthan ring system and total synthesis of (±)-β-lycorane.","Organic & biomolecular chemistry","2021","19","12","2767","2772","10.1039/d0ob02398a","","","1.54178","CuKα","","0.0282","0.0278","","","0.0734","0.0737","","","","","","1.057","","","","has coordinates","263853","2021-04-05","15:19:42",""
"7157931","9.266","0.0002","11.4559","0.0003","12.8747","0.0004","90","","90","","90","","1366.65","0.06","120.01","0.1","120.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H9 B Cl2 N2 O -","- C15 H9 B Cl2 N2 O -","- C60 H36 B4 Cl8 N8 O4 -","4","1","","Iqbal, S. A.; Yuan, K.; Cid, J.; Pahl, J.; Ingleson, M. J.","Controlling selectivity in N-heterocycle directed borylation of indoles.","Organic & biomolecular chemistry","2021","19","13","2949","2958","10.1039/d1ob00018g","","x-ray","1.54184","CuKα","","0.0604","0.0532","","","0.1398","0.147","","","","","","1.069","","","","has coordinates","264949","2021-05-05","09:03:41",""
"7157963","6.149","0.002","16.882","0.005","19.24","0.006","90","","90","","90","","1997.3","1.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N O S -","- C26 H21 N O S -","- C104 H84 N4 O4 S4 -","4","1","","Li, Zhen; Vijaykumar, Gonela; Li, Xiangdong; Golz, Christopher; Alcarazo, Manuel","5-(Diarylimino)- and 5-(sulfoximido)dibenzothiophenium triflates: syntheses and applications as electrophilic aminating reagents.","Organic & biomolecular chemistry","2021","19","13","2941","2948","10.1039/d1ob00285f","","","0.71073","MoKα","","0.0386","0.0345","","","0.0804","0.0841","","","","","","1.058","","","","has coordinates","264946","2021-05-05","09:03:20",""
"7157984","10.4412","0.0001","11.3932","0.0002","29.2341","0.0003","90","","90","","90","","3477.65","0.08","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C3.9 H3.79 Cl0.1 F0.62 N0.21 P0.21 Ru0.1 -","- C3.89744 H3.79487 Cl0.102564 F0.615385 N0.205128 P0.205128 Ru0.102564 -","- C152 H148 Cl4 F24 N8 P8 Ru4 -","39","9.75","","Huang, Ming; Li, Yinwu; Lan, Xiao-Bing; Liu, Jiahao; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Ruthenium(II) complexes with N-heterocyclic carbene-phosphine ligands for the <i>N</i>-alkylation of amines with alcohols.","Organic & biomolecular chemistry","2021","19","15","3451","3461","10.1039/d1ob00362c","","x-ray","1.54184","CuKα","","0.0329","0.0315","","","0.0823","0.0836","","","","","","1.037","","","","has coordinates","264960","2021-05-05","09:05:11",""
"7157989","6.7354","0.0001","18.2897","0.0002","19.0257","0.0002","90","","90","","90","","2343.75","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Br N2 O4 S -","- C25 H19 Br N2 O4 S -","- C100 H76 Br4 N8 O16 S4 -","4","1","","Chang, Li; Zhu, Guang-Yu; Yang, Ting; Zhao, Xiao-Li; Shi, Min; Zhao, Mei-Xin","Organocatalytic asymmetric formal [3 + 2] cycloaddition reaction of isocyanoacetates with saccharin-derived 1-azadienes.","Organic & biomolecular chemistry","2021","19","16","3687","3697","10.1039/d1ob00115a","","x-ray","1.54184","CuKα","","0.0499","0.0488","","","0.1277","0.1286","","","","","","1.036","","","","has coordinates","264940","2021-05-05","09:02:29",""
"7157999","10.8932","0.0002","17.0966","0.0003","39.2989","0.0007","90","","90","","90","","7318.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C300 H420 N12 O84 -","12","3","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0353","0.0328","","","0.0821","0.084","","","","","","1.023","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158001","10.8971","0.0002","17.1101","0.0003","39.2778","0.0007","90","","90","","90","","7323.4","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 N O7 -","- C25 H35 N O7 -","- C300 H420 N12 O84 -","12","3","","Kong, Xiang-Kai; Xiong, Zhi-Min; Zhi, Xiang; Meng, Xue-Ling; Zhao, Jing-Feng; Chen, Wen; Zhang, Hongbin","Lewis acid mediated cyclization: synthesis of 2 spirocyclohexylindolines.","Organic & biomolecular chemistry","2021","19","18","4043","4047","10.1039/d1ob00293g","","","1.54178","CuKα","","0.0288","0.0282","","","0.075","0.0756","","","","","","1.032","","","","has coordinates","266173","2021-06-05","19:29:33",""
"7158004","9.2734","0.0002","12.5056","0.0003","22.5981","0.0007","90","","90","","90","","2620.69","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Cl N4 O4 -","- C26 H29 Cl N4 O4 -","- C104 H116 Cl4 N16 O16 -","4","1","","Liu, Hui; Yan, Yingkun; Li, Min; Zhang, Xiaomei","An enantioselective aza-Friedel-Crafts reaction of 5-aminoisoxazoles with isatin-derived <i>N</i>-Boc ketimines.","Organic & biomolecular chemistry","2021","19","17","3820","3824","10.1039/d1ob00374g","","","1.54184","CuKα","","0.0522","0.0436","","","0.1121","0.1208","","","","","","1.037","","","","has coordinates","266157","2021-06-05","19:27:08",""
"7158006","7.9229","0.0015","9.4474","0.0019","20.875","0.004","90","","90","","90","","1562.5","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1(2H)-one","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Elagamy, Amr; Althagafi, Ismail; Pratap, Ramendra","Step-wise and one-pot synthesis of highly substituted conjugated trienes from 2-oxobenzo[<i>h</i>]chromenes/2<i>H</i>-pyran-2-ones.","Organic & biomolecular chemistry","2021","19","17","3901","3910","10.1039/d1ob00314c","","","0.71073","MoKα","","0.0769","0.0566","","","0.1515","0.18","","","","","","1.036","","","","has coordinates","266152","2021-06-05","19:26:21",""
"7158041","6.2023","0.0013","11.202","0.002","16.755","0.004","90","","90","","90","","1164.1","0.4","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Br O2 -","- C14 H9 Br O2 -","- C56 H36 Br4 O8 -","4","1","","Xu, Si-Yu; Zhang, Rui; Zhang, Shu-Sheng; Feng, Chen-Guo","Enantioselective synthesis of 3-aryl-phthalides through a nickel-catalyzed stereoconvergent cross-coupling reaction.","Organic & biomolecular chemistry","2021","19","20","4492","4496","10.1039/d1ob00487e","","","0.71073","MoKα","","0.1044","0.0396","","","0.0676","0.0845","","","","","","0.987","","","","has coordinates","266167","2021-06-05","19:28:29",""
"7158061","6.1284","0.0003","13.2853","0.0008","34.731","0.003","90","","90","","90","","2827.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,6-bis(diphenylbismuthanyl)dibenzo[b,d]furan","","- C36 H26 Bi2 O -","- C36 H26 Bi2 O -","- C144 H104 Bi8 O4 -","4","1","","Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep","Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.","Organic & biomolecular chemistry","2021","19","22","4922","4929","10.1039/d1ob00367d","","","0.71073","MoKα","","0.0374","0.0287","","","0.0571","0.0604","","","","","","1.069","","","","has coordinates","267231","2021-07-05","18:11:35",""
"7158074","7.5652","0.0015","9.559","0.0019","32.515","0.007","90","","90","","90","","2351.3","0.8","153","2","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 S -","- C26 H23 N O4 S -","- C104 H92 N4 O16 S4 -","4","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.1505","0.1261","","","0.2985","0.3277","","","","","","1.142","","","","has coordinates","267235","2021-07-05","18:12:02",""
"7158075","9.734","0.0019","11.144","0.002","25.686","0.005","90","","90","","90","","2786.3","0.9","153","2","153.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 Cl N O6 S -","- C32 H26 Cl N O6 S -","- C128 H104 Cl4 N4 O24 S4 -","4","1","","Gao, Xing; Zhu, Dongyu; Jiang, Feng; Liao, Jianning; Wang, Wei; Wu, Yongjun; Zheng, Lufei; Guo, Hongchao","Palladium-catalyzed stereoselective (3 + 2) cycloaddition of vinylethylene carbonates with cyclic <i>N</i>-sulfonyl ketimines.","Organic & biomolecular chemistry","2021","19","22","4877","4881","10.1039/d1ob00614b","","","0.71073","MoKα","","0.0663","0.0593","","","0.1026","0.1063","","","","","","1.111","","","","has coordinates","267235","2021-07-05","18:12:02",""
"7158105","20.6283","0.0007","8.916","0.0002","19.7224","0.0004","90","","90","","90","","3627.38","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H39 B F9 N3 -","- C41 H39 B F9 N3 -","- C164 H156 B4 F36 N12 -","4","1","","Li, Jun; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Formation of amidino-borate derivatives by a multi-component reaction.","Organic & biomolecular chemistry","2021","19","25","5551","5554","10.1039/d1ob00775k","","","0.71073","MoKα","","0.1019","0.0781","","","0.181","0.2025","","","","","","1.097","","","","has coordinates,has disorder","267243","2021-07-05","18:13:44",""
"7158109","7.217","0.0007","15.068","0.0014","23.762","0.002","90","","90","","90","","2584","0.4","150","2","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Br N O5 -","- C28 H24 Br N O5 -","- C112 H96 Br4 N4 O20 -","4","1","","Tsou, Yun-Jie; Guan, Ren-You; Han, Jeng-Liang","Enantioselective organocatalytic vinylogous aldol-cyclization cascade reaction of 3-alkylidene oxindoles with <i>o</i>-quinones.","Organic & biomolecular chemistry","2021","19","26","5836","5843","10.1039/d1ob00888a","","","0.71075","MoKα","","0.0589","0.0547","","","0.1386","0.1442","","","","","","1.089","","","","has coordinates","268941","2021-09-06","12:29:56",""
"7158118","8.6665","0.0005","9.0914","0.0005","20.0289","0.001","90","","90","","90","","1578.09","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C60 H76 N4 O16 S4 -","4","1","","Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping","Diastereoselective synthesis of chiral 3-substituted isoindolinones <i>via</i> rhodium(III)-catalyzed oxidative C-H olefination/annulation.","Organic & biomolecular chemistry","2021","19","26","5876","5887","10.1039/d1ob00656h","","x-ray","1.54184","CuKα","","0.0515","0.0447","","","0.1087","0.1158","","","","","","1.062","","","","has coordinates,has disorder","268938","2021-09-06","12:29:25",""
"7158126","7.71","0.0007","9.8223","0.001","16.1672","0.0013","90","","90","","90","","1224.34","0.19","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 F N O4 -","- C13 H12 F N O4 -","- C52 H48 F4 N4 O16 -","4","1","","Banik, Swarnayu; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.","Enantioselective fluorination of 3-indolinone-2-carboxylates with NFSI catalyzed by chiral bisoxazolines.","Organic & biomolecular chemistry","2021","19","27","6085","6091","10.1039/d1ob00144b","","","0.71073","MoKα","","0.0789","0.0473","","","0.1133","0.1287","","","","","","1.048","","","","has coordinates","268919","2021-09-06","12:24:54",""
"7158133","6.7387","0.0001","9.5889","0.0001","44.6727","0.0004","90","","90","","90","","2886.6","0.06","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 Cl N8 O10 -","- C24 H35 Cl N8 O10 -","- C96 H140 Cl4 N32 O40 -","4","1","","Morshed, Mahmud T.; Lacey, Ernest; Vuong, Daniel; Lacey, Alastair E.; Lean, Soo Sum; Moggach, Stephen A.; Karuso, Peter; Chooi, Yit-Heng; Booth, Thomas J.; Piggott, Andrew M.","Chlorinated metabolites from Streptomyces sp. highlight the role of biosynthetic mosaics and superclusters in the evolution of chemical diversity.","Organic & biomolecular chemistry","2021","19","27","6147","6159","10.1039/d1ob00600b","","x-ray","1.54184","CuKα","","0.0349","0.0334","","","0.0828","0.0838","","","","","","1.037","","","","has coordinates","268922","2021-09-06","12:25:54",""
"7158158","6.8461","0.0001","15.7021","0.0003","21.1251","0.0004","90","","90","","90","","2270.91","0.07","100.03","0.1","100.03","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0419","0.0371","","","0.0831","0.0865","","","","","","1.054","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158159","21.3972","0.0003","14.6607","0.0002","6.86195","0.00011","90","","90","","90","","2152.58","0.05","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0355","0.0318","","","0.0709","0.0723","","","","","","1.075","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158160","8.2288","0.0005","10.1233","0.0006","25.6942","0.0015","90","","90","","90","","2140.4","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N3 O2 S -","- C26 H21 N3 O2 S -","- C104 H84 N12 O8 S4 -","4","1","","Vroemans, Robby; Ribone, Sergio R.; Thomas, Joice; Van Meervelt, Luc; Ollevier, Thierry; Dehaen, Wim","Synthesis of homochiral sulfanyl- and sulfoxide-substituted naphthyltriazoles and study of the conformational stability.","Organic & biomolecular chemistry","2021","19","29","6521","6526","10.1039/d1ob00784j","","x-ray","0.71073","MoKα","","0.0622","0.0464","","","0.082","0.0873","","","","","","1.042","","","","has coordinates","268911","2021-09-06","12:22:46",""
"7158209","5.8983","0.0001","15.4491","0.0002","15.8136","0.0003","90","","90","","90","","1440.99","0.04","303","2","303","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 F2 N O S2 -","- C15 H11 F2 N O S2 -","- C60 H44 F8 N4 O4 S8 -","4","1","","Zhang, Yifang; Wang, Qian; Peng, Yi; Gong, Haiying; Chen, Hua; Deng, Hongmei; Hao, Jian; Wan, Wen","Metal-free, oxidative decarboxylation of aryldifluoroacetic acid with the formation of the ArS-CF<sub>2</sub> bond.","Organic & biomolecular chemistry","2021","19","32","7024","7030","10.1039/d1ob01165k","","","1.54178","CuKα","","0.0292","0.0291","","","0.0902","0.0904","","","","","","1.065","","","","has coordinates","268925","2021-09-06","12:26:17",""
"7158210","10.2144","0.0002","15.935","0.0005","17.0604","0.0004","90","","90","","90","","2776.86","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2.69 H1.85 N0 O0.15 S0.15 -","- C2.69231 H1.84615 O0.153846 S0.153846 -","- C140 H96 O8 S8 -","52","13","","Yue, Yuanyuan; Chao, Junli; Wang, Zhiyue; Yang, Yan; Ye, Yaqing; Sun, Chunying; Guo, Xiaohui; Liu, Jianming","Electrooxidative double C-H/C-H coupling of phenols with 3-phenylbenzothiophenes: facile access to benzothiophene derivatives.","Organic & biomolecular chemistry","2021","19","33","7156","7160","10.1039/d1ob01208h","","","1.54184","CuKα","","0.094","0.0778","","","0.281","0.2921","","","","","","0.992","","","","has coordinates","268933","2021-09-06","12:28:24",""
"7158216","6.2068","0.0002","9.6747","0.0003","23.6894","0.0006","90","","90","","90","","1422.52","0.07","160","","160","","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","1","","Zhang, Cun; Wang, Bianlin; Aibibula, Paruke; Zhao, Jiangyu; Aisa, Haji Akber","Enantioselective construction of substituted pyridine and a seven-membered carbocyclic skeleton: biomimetic synthesis of (-)-rupestine D, (-)-guaipyridine, (-)-epiguaipyridine, and (-)-cananodine and their stereoisomers.","Organic & biomolecular chemistry","2021","19","32","7081","7084","10.1039/d1ob01299a","","","1.54178","CuKα","","0.0331","0.031","","","0.0733","0.075","","","","","","1.05","","","","has coordinates","268924","2021-09-06","12:26:10",""
"7158227","8.819","0.004","19.343","0.007","22.015","0.008","90","","90","","90","","3755","3","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H50 B Cl F N3 O2 -","- C41 H50 B Cl F N3 O2 -","- C164 H200 B4 Cl4 F4 N12 O8 -","4","1","","Maeda, Hiromitsu; Haketa, Yohei; Murata, Tomoki; Ohta, Eriko; Murata, Tai; Yasuda, Nobuhiro","Self-assemblies of anionic-unit-introduced anion-responsive π-electronic molecules","Organic & Biomolecular Chemistry","2021","19","34","7369","7373","10.1039/D1OB01094H","","","1.54187","CuKα","","0.0555","0.0451","","","0.1221","0.1281","","","","","","1.061","","","","has coordinates","268951","2021-09-06","12:33:29",""
"7158236","9.42743","0.00015","9.8509","0.0002","24.0927","0.0004","90","","90","","90","","2237.46","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O5 S -","- C24 H22 N2 O5 S -","- C96 H88 N8 O20 S4 -","4","1","","Yang, Zinan; He, Huakang; Tian, Rui; Wu, Ruoran; Hu, Sheng; Wu, Yue; Zhou, Hui","A zinc/PyBisulidine catalyzed asymmetric Mannich reaction of N-tosyl imines with 3-acyloxy-2-oxindoles","Organic & Biomolecular Chemistry","2021","19","34","7460","7469","10.1039/D1OB01328A","","x-ray","1.54184","CuKα","","0.0561","0.0498","","","0.1295","0.1366","","","","","","1.041","","","","has coordinates","268953","2021-09-06","12:33:45",""
"7158237","6.4713","0.0009","9.6298","0.0012","48.285","0.007","90","","90","","90","","3009","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Br N O7 P -","- C32 H35 Br N O7 P -","- C128 H140 Br4 N4 O28 P4 -","4","1","","Jaiswal, Manish K.; Singh, Sanjay; Singh, Ravi P.","Enantioselective vinylogous aldol reaction of acylphosphonates with 3-alkylidene oxindoles.","Organic & biomolecular chemistry","2021","19","36","7861","7866","10.1039/d1ob00140j","","","0.71073","MoKα","","0.0418","0.0393","","","0.1197","0.1214","","","","","","0.969","","","","has coordinates","269782","2021-10-06","16:15:56",""
"7158238","6.5171","0.0003","9.8455","0.0006","48.456","0.003","90","","90","","90","","3109.1","0.3","302","2","302","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Br N O7 P -","- C32 H35 Br N O7 P -","- C128 H140 Br4 N4 O28 P4 -","4","1","","Jaiswal, Manish K.; Singh, Sanjay; Singh, Ravi P.","Enantioselective vinylogous aldol reaction of acylphosphonates with 3-alkylidene oxindoles.","Organic & biomolecular chemistry","2021","19","36","7861","7866","10.1039/d1ob00140j","","","0.71073","MoKα","","0.0908","0.0489","","","0.12","0.1455","","","","","","0.819","","","","has coordinates","269782","2021-10-06","16:15:56",""
"7158250","10.0469","0.0001","10.3794","0.0002","16.33","0.0003","90","","90","","90","","1702.91","0.05","170","0.1","170","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Li, Wenzhong; Wang, Yu; Qi, Huijing; Shi, Ran; Li, Jiazhu; Chen, Si; Xu, Xin-Ming; Wang, Wei-Li","Diverse privileged <i>N</i>-polycyclic skeletons accessed from a metal-free cascade cyclization reaction.","Organic & biomolecular chemistry","2021","19","37","8086","8095","10.1039/d1ob01206a","","x-ray","0.71073","MoKα","","0.0326","0.0308","","","0.0818","0.0831","","","","","","1.017","","","","has coordinates","269776","2021-10-06","16:14:14",""
"7158266","6.94293","0.00012","9.02763","0.00016","18.0531","0.0003","90","","90","","90","","1131.54","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0315","0.0311","","","0.0822","0.0824","","","","","","1.05","","","","has coordinates","268952","2021-09-06","12:33:38",""
"7158267","6.956","0.0002","8.4636","0.0003","19.6496","0.0006","90","","90","","90","","1156.83","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","1","","Ma, Haowen; Feng, Jiajie; Zhou, Wei; Chen, Chen; Deng, Zhuoji; Zhou, Fengtao; Ouyang, Yifan; Zhang, Xinhao; Cai, Qian","Copper(i)-catalyzed asymmetric intramolecular C-arylation with ureas as the additives: highly enantioselective formation of spirooxindoles","Organic & Biomolecular Chemistry","2021","19","34","7480","7484","10.1039/D1OB01327K","","x-ray","1.54184","CuKα","","0.0374","0.0366","","","0.0984","0.0993","","","","","","1.055","","","","has coordinates","268952","2021-09-06","12:33:38",""
"7158280","7.0872","0.0008","12.3506","0.0016","16.599","0.002","90","","90","","90","","1452.9","0.3","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Solea, Atena B.; Wang, Sining; Xue, Xiao-Song; Crochet, Aurelien; Fromm, Katharina M.; Houk, Kendall N.; Mamula, Olimpia; Allemann, Christophe","Efficient synthesis of isoindolones by intramolecular cyclisation of pyridinylbenzoic acids.","Organic & biomolecular chemistry","2021","19","37","8025","8029","10.1039/d1ob01343b","","x-ray","0.71073","MoKα","","0.1384","0.0471","","","0.0857","0.114","","","","","","0.964","","","","has coordinates","269773","2021-10-06","16:13:29",""
"7158289","8.275","0.006","9.736","0.009","16.38","0.015","90","","90","","90","","1320","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-(pyridin-4-ylmethyl)-2,4-dihydroimidazol[1,2-a]quinazolin-5(1H)-one","","","- C16 H14 N4 O -","- C16 H14 N4 O -","- C64 H56 N16 O4 -","4","1","","Honnanayakanavar, Jyoti M.; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper catalyzed regioselective <i>N</i>-arylation-amidation: synthesis of angularly fused dihydroimidazoquinazolinones and the anticancer agent TIC10/ONC201.","Organic & biomolecular chemistry","2021","19","39","8497","8501","10.1039/d1ob01561c","","","0.71073","MoKα","","0.0378","0.0338","","","0.0897","0.0931","","","","","","1.077","","","","has coordinates","270501","2021-11-06","20:41:43",""
"7158301","10.0685","0.0003","10.1743","0.0003","20.3368","0.0006","90","","90","","90","","2083.3","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.076","0.0523","","","0.1299","0.1456","","","","","","1.029","","","","has coordinates","270493","2021-11-06","20:40:32",""
"7158302","10.1003","0.0003","10.1984","0.0003","20.2551","0.0005","90","","90","","90","","2086.42","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.0834","0.0625","","","0.1803","0.1969","","","","","","1.067","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158303","10.1047","0.0002","10.1997","0.0003","20.2588","0.0005","90","","90","","90","","2087.97","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.0837","0.0604","","","0.1758","0.1937","","","","","","1.079","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158304","10.0659","0.0002","10.174","0.0003","20.3251","0.0005","90","","90","","90","","2081.5","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C96 H104 O16 -","4","1","","Rithchumpon, Puracheth; Intakaew, Neeranuth; Khamto, Nopawit; Yimklan, Saranpong; Nimmanpipug, Piyarat; Thavornyutikarn, Praput; Meepowpan, Puttinan","Synthesis and application of methyl itaconate-anthracene adducts in configuration assignment of chiral secondary alcohols by <sup>1</sup>H NMR.","Organic & biomolecular chemistry","2021","19","41","8955","8967","10.1039/d1ob01387d","","x-ray","0.71073","MoKα","","0.072","0.0506","","","0.1279","0.1412","","","","","","1.059","","","","has coordinates","270493","2021-11-06","20:40:33",""
"7158319","5.516","0.001","19.977","0.003","30.8","0.01","90","","90","","90","","3393.9","1.4","295","2","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H42 N4 O3 -","- C41 H42 N4 O3 -","- C164 H168 N16 O12 -","4","1","","Kozhemyakin, Grigory L.; Tyurin, Vladimir S.; Shkirdova, Alena O.; Belyaev, Evgeny S.; Kirinova, Ekaterina S.; Ponomarev, Gelii V.; Chistov, Alexey A.; Aralov, Andrey V.; Tafeenko, Victor A.; Zamilatskov, Ilya A.","Carbene functionalization of porphyrinoids through tosylhydrazones.","Organic & biomolecular chemistry","2021","19","42","9199","9210","10.1039/d1ob01626a","","","1.54186","CuKα","","0.3021","0.1405","","","0.3317","0.4249","","","","","","0.877","","","","has coordinates","270499","2021-11-06","20:41:24",""
"7158327","12.8894","0.0007","13.1148","0.0007","14.7203","0.0008","90","","90","","90","","2488.3","0.2","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32.65 Cl Ir N O1.32 P -","- C27 H32.64 Cl Ir N O1.32 P -","- C108 H130.56 Cl4 Ir4 N4 O5.28 P4 -","4","1","","Dai, Zengjin; Pan, Ying-Min; Wang, Shou-Guo; Zhang, Xumu; Yin, Qin","Direct reductive amination of ketones with ammonium salt catalysed by Cp*Ir(III) complexes bearing an amidato ligand.","Organic & biomolecular chemistry","2021","19","41","8934","8939","10.1039/d1ob01710a","","x-ray","1.54178","CuKα","","0.0262","0.0261","","","0.0682","0.0682","","","","","","1.092","","","","has coordinates","270496","2021-11-06","20:40:51",""
"7158336","8.9489","0.0003","10.214","0.0002","29.3155","0.0006","90","","90","","90","","2679.56","0.12","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Br2 N2 O4 S -","- C27 H26 Br2 N2 O4 S -","- C108 H104 Br8 N8 O16 S4 -","4","1","","Yang, Xiao-Peng; Lv, Hao-Peng; Yang, Hao-Di; Wang, Bai-Lin; Wang, Xing-Wang","Box-copper catalyzed cascade asymmetric amidation for chiral <i>exo</i>-methylene aminoindoline derivatives.","Organic & biomolecular chemistry","2021","19","43","9373","9378","10.1039/d1ob01242h","","","1.54184","CuKα","","0.0638","0.0614","","","0.1504","0.154","","","","","","1.125","","","","has coordinates","271215","2021-12-07","03:51:56",""
"7158357","8.3206","0.0001","10.3874","0.0001","20.7185","0.0001","90","","90","","90","","1790.69","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Efremova, Mariia M.; Makarova, Anastasia A.; Novikov, Alexander S.; Kryukova, Mariya A.; Kuznetsov, Mikhail A.; Molchanov, Alexander P.","Regio- and stereoselective (3 + 2)-cycloaddition reactions of nitrones with cyclic allenes.","Organic & biomolecular chemistry","2021","19","44","9773","9784","10.1039/d1ob01584b","","x-ray","1.54184","CuKα","","0.0357","0.0354","","","0.0928","0.0932","","","","","","1.028","","","","has coordinates","271205","2021-12-07","03:49:43",""
"7158386","5.5102","0.0005","9.087","0.0009","25.588","0.003","90","","90","","90","","1281.2","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 F3 N2 O2 -","- C12 H17 F3 N2 O2 -","- C48 H68 F12 N8 O8 -","4","1","","Goryaeva, Marina V.; Kushch, Svetlana O.; Burgart, Yanina V.; Ezhikova, Marina A.; Kodess, Mikhail I.; Slepukhin, Pavel A.; Triandafilova, Galina A.; Krasnykh, Olga P.; Yakovleva, Ekaterina I.; Zarubaev, Vladimir V.; Sinegubova, Ekaterina O.; Esaulkova, Iana L.; Shtro, Anna A.; Galochkina, Anastasia V.; Nikolaeva, Yulia V.; Saloutin, Victor I.","New heteroanalogs of tricyclic ascidian alkaloids: synthesis and biological activity.","Organic & biomolecular chemistry","2021","19","45","9925","9935","10.1039/d1ob01843d","","x-ray","0.71073","MoKα","","0.0772","0.057","","","0.1429","0.1783","","","","","","1.0116","","","","has coordinates","271226","2021-12-07","03:55:10",""
"7158397","5.4744","0.0003","17.602","0.0011","21.4574","0.0014","90","","90","","90","","2067.6","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 F2 O7 S2 -","- C20 H18 F2 O7 S2 -","- C80 H72 F8 O28 S8 -","4","1","","Guinan, Mieke; Huang, Ningwu; Hawes, Chris S.; Lima, Marcelo A.; Smith, Mark; Miller, Gavin J.","Chemical synthesis of 4'-thio and 4'-sulfinyl pyrimidine nucleoside analogues.","Organic & biomolecular chemistry","2022","20","7","1401","1406","10.1039/d1ob02097h","","","0.71073","MoKα","","0.0753","0.062","","","0.1354","0.1412","","","","","","1.179","","","","has coordinates,has disorder","273424","2022-03-04","22:24:30",""
"7158400","8.3651","0.0008","13.6367","0.0013","25.424","0.003","90","","90","","90","","2900.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N O P -","- C36 H32 N O P -","- C144 H128 N4 O4 P4 -","4","1","","Mino, Takashi; Fujisawa, Yohei; Yoshida, Shizuki; Hirama, Mitsuru; Akiyama, Takumu; Saito, Ryo; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Cinnamoyl amide type chiral P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2021","19","47","10385","10389","10.1039/d1ob02086b","","","0.71073","MoKα","","0.0459","0.0361","","","0.0793","0.0861","","","","","","1.014","","","","has coordinates","271871","2022-01-06","21:57:42",""
"7158401","8.631","0.003","11.371","0.004","29.685","0.011","90","","90","","90","","2913.4","1.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N O P -","- C36 H32 N O P -","- C144 H128 N4 O4 P4 -","4","1","","Mino, Takashi; Fujisawa, Yohei; Yoshida, Shizuki; Hirama, Mitsuru; Akiyama, Takumu; Saito, Ryo; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Cinnamoyl amide type chiral P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2021","19","47","10385","10389","10.1039/d1ob02086b","","","0.71073","MoKα","","0.1559","0.0846","","","0.1943","0.233","","","","","","1.041","","","","has coordinates,has disorder","271871","2022-01-06","21:57:42",""
"7158402","11.8848","0.0001","12.8057","0.0001","21.212","0.0003","90","","90","","90","","3228.32","0.06","99.9","0.3","99.9","0.3","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 Cl3 N3 O6 P -","- C26.999 H40.999 Cl2.997 N3 O6 P -","- C107.996 H163.996 Cl11.988 N12 O24 P4 -","4","1","","Rouh, Hossein; Tang, Yao; Zhang, Sai; Ali, Ahmed I. M.; Unruh, Daniel; Surowiec, Kazimierz; Li, Guigen","Asymmetric synthesis of functionalized 2,3-dihydrobenzofurans using salicyl <i>N</i>-phosphonyl imines facilitated by group-assisted purification (GAP) chemistry.","Organic & biomolecular chemistry","2021","19","47","10319","10325","10.1039/d1ob02078a","","x-ray","1.54184","CuKα","","0.0361","0.0323","","","0.08","0.0828","","","","","","1.055","","","","has coordinates,has disorder","271869","2022-01-06","21:57:27",""
"7158412","8.183","0.004","9.828","0.003","16.544","0.005","90","","90","","90","","1330.5","0.9","103","","103","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Kashiwazaki, Gengo; Watanabe, Ryo; Tsuzuki, Terutaka; Yamamoto, Chieko; Nishikawa, Atsuya; Ohtomo, Satoru; Yoshikawa, Tomomi; Kitamura, Yuto; Utaka, Yoshimi; Kawai, Yasushi; Tsuchida, Noriko; Kitayama, Takashi","Brønsted acid-induced transannulation of the phytochemical zerumbone.","Organic & biomolecular chemistry","2021","19","47","10444","10454","10.1039/d1ob01634b","","","0.71075","MoKα","","0.0457","0.037","","","0.0721","0.0758","","","","","","1.033","","","","has coordinates","271867","2022-01-06","21:57:15",""
"7158427","11.8779","0.0006","14.0953","0.0007","16.4691","0.0007","90","","90","","90","","2757.3","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 S2 -","- C36 H34 S2 -","- C144 H136 S8 -","4","1","","Sartucci, Jenna L.; Maity, Arindam; Mohanan, Manikandan; Bertke, Jeffery; Kertesz, Miklos; Gavvalapalli, Nagarjuna","Molecular tetrominoes: selective masking of the donor π-face to control the configuration of donor-acceptor complexes.","Organic & biomolecular chemistry","2022","20","2","375","386","10.1039/d1ob02293h","","","0.71073","MoKα","","0.0337","0.0335","","","0.09","0.0901","","","","","","1.108","","","","has coordinates","272771","2022-02-04","20:02:24",""
"7158436","7.2949","0.0002","11.9167","0.0002","14.4321","0.0003","90","","90","","90","","1254.6","0.05","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 O2 -","- C30 H30 N6 O2 -","- C60 H60 N12 O4 -","2","0.5","","Goud, S. Banuprakash; Guin, Soumitra; Prakash, Meher; Samanta, Sampak","Cu(OAc)<sub>2</sub>/DABCO-mediated domino reaction of vinyl malononitriles with cyclic sulfamidate imines: access to 6-hydroxyaryl-2-aminonicotinonitriles.","Organic & biomolecular chemistry","2022","20","2","352","357","10.1039/d1ob02095a","","","0.71073","MoKα","","0.0393","0.0367","","","0.1136","0.1183","","","","","","0.998","","","","has coordinates","272772","2022-02-04","20:02:29",""
"7158447","8.0638","0.0005","8.215","0.0007","24.112","0.002","90","","90","","90","","1597.3","0.2","100.01","0.11","100.01","0.11","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 S2 Se -","- C15 H17 N O2 S2 Se -","- C60 H68 N4 O8 S8 Se4 -","4","1","","Zhou, Chen-Fan; Zhang, Yun-Qian; Ling, Yong; Ming, Liang; Xi, Xia; Liu, Gong-Qing; Zhang, Yanan","Time-economical synthesis of selenofunctionalized heterocycles <i>via</i> I<sub>2</sub>O<sub>5</sub>-mediated selenylative heterocyclization.","Organic & biomolecular chemistry","2022","20","2","420","426","10.1039/d1ob02196f","","x-ray","0.71073","MoKα","","0.0588","0.0485","","","0.0876","0.0923","","","","","","1.066","","","","has coordinates,has disorder","272775","2022-02-04","20:02:48",""
"7158452","9.6129","0.0008","16.6129","0.0006","27.4345","0.0016","90","","90","","90","","4381.2","0.5","150","2","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H55 Cl3 N6 O10 S -","- C36 H55 Cl3 N6 O10 S -","- C144 H220 Cl12 N24 O40 S4 -","4","1","","Choi, Sunglim; Shim, Jihyun; Kang, Philjae; Choi, Soo Hyuk","Effect of a <i>cis</i>-4-aminopiperidine-3-carboxylic acid (<i>cis</i>-APiC) residue on mixed-helical folding of unnatural peptides.","Organic & biomolecular chemistry","2022","20","3","613","618","10.1039/d1ob02223g","","","1.54178","CuKα","","0.1044","0.0643","","","0.1405","0.1602","","","","","","1.034","","","","has coordinates,has disorder","272779","2022-02-04","20:03:24",""
"7158458","9.7153","0.0009","14.2963","0.0012","24.322","0.002","90","","90","","90","","3378.2","0.5","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3R,3'R,4'S,5'S)-1,1''-Dibenzyl-7-bromo-4'-(3-methyl-4-nitroisoxazol-5-yl)-5'-(trifluoromethyl)dispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-2,2''-dione","","- C37 H27 Br F3 N5 O5 -","- C37 H27 Br F3 N5 O5 -","- C148 H108 Br4 F12 N20 O20 -","4","1","","Li, Tong-Hao; Du, Da-Ming","Asymmetric synthesis of isoxazole and trifluoromethyl-containing 3,2'-pyrrolidinyl dispirooxindoles <i>via</i> squaramide-catalysed [3 + 2] cycloaddition reactions.","Organic & biomolecular chemistry","2022","20","4","817","823","10.1039/d1ob02350k","","","1.34139","GaKα","","0.049","0.0417","","","0.1028","0.1078","","","","","","1.051","","","","has coordinates","272766","2022-02-04","20:01:56",""
"7158460","4.5507","0.001","17.161","0.004","48.011","0.01","90","","90","","90","","3749.4","1.4","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O8 -","- C21 H22 O8 -","- C168 H176 O64 -","8","2","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0659","0.0461","","","0.0957","0.1113","","","","","","1.058","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158463","4.5505","0.0002","17.1723","0.0008","48.042","0.002","90","","90","","90","","3754.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H44 O16 -","- C42 H44 O16 -","- C168 H176 O64 -","4","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34138","GaKα","","0.0484","0.0394","","","0.0921","0.0981","","","","","","1.072","","","","has coordinates","272781","2022-02-04","20:03:42",""
"7158465","8.6051","0.0004","14.1919","0.0006","15.2989","0.0006","90","","90","","90","","1868.34","0.14","200","","200","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","","Peng, Xiaogang; Zhou, Shuang; Liu, Junjun; Gao, Ying; Chang, Jinling; Ruan, Hanli","(±)-Usphenethylones A-C, three pairs of heterodimeric polyketide enantiomers from <i>Aspergillus ustus</i> 3.3904.","Organic & biomolecular chemistry","2022","20","3","694","700","10.1039/d1ob02006d","","","1.34139","GaKα","","0.0303","0.0292","","","0.078","0.0793","","","","","","1.048","","","","has coordinates,has disorder","272781","2022-02-04","20:03:42",""
"7158467","14.793","0.003","17.86","0.003","26.56","0.005","90","","90","","90","","7017","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.8 H99.2 N12 O33.4 S6.2 -","- C48.7596 H99.0384 N12 O33.4796 S6.24 -","- C195.038 H396.154 N48 O133.918 S24.96 -","4","1","","Fedorowicz, Dominika; Banach, Sylwia; Koza, Patrycja; Frydrych, Rafał; Ślepokura, Katarzyna; Gregoliński, Janusz","Controlling chirality in the synthesis of 4 + 4 diastereomeric amine macrocycles derived from <i>trans</i>-1,2-diaminocyclopentane and 2,6-diformylpyridine.","Organic & biomolecular chemistry","2022","20","5","1080","1094","10.1039/d1ob02410h","","","0.71073","MoKα","","0.1557","0.0792","","","0.1533","0.185","","","","","","1.001","","","","has coordinates,has disorder","272757","2022-02-04","20:00:28",""
"7158472","10.28331","0.00011","15.03","0.0002","33.3759","0.0005","90","","90","","90","","5158.52","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H78 N2 O11 -","- C51 H78 N2 O11 -","- C204 H312 N8 O44 -","4","1","","Li, Bo; Wu, Jun; Tang, Lei; Lian, Xu; Li, Zhongwen; Duan, Wenfang; Qin, Tong; Zhao, Xintong; Hu, Yuhua; Zhang, Chi; Li, Tianlei; Hao, Jie; Zhang, Wenxuan; Zhang, Jihong; Wu, Song","Synthesis and anti-tumor activity evaluation of salinomycin C20-<i>O</i>-alkyl/benzyl oxime derivatives.","Organic & biomolecular chemistry","2022","20","4","870","876","10.1039/d1ob02292j","","x-ray","1.54184","CuKα","","0.037","0.0327","","","0.0834","0.0873","","","","","","1.032","","","","has coordinates","272768","2022-02-04","20:02:07",""
"7158479","5.3533","0.0004","16.8012","0.0008","17.7277","0.0012","90","","90","","90","","1594.46","0.18","298","0.2","298","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 O2 Pd -","- C20 H14 N2 O2 Pd -","- C80 H56 N8 O8 Pd4 -","4","1","","Mahato, Shreya; Rawal, Parveen; Devadkar, Ajitrao Kisan; Joshi, Mayank; Roy Choudhury, Angshuman; Biswas, Bhaskar; Gupta, Puneet; Panda, Tarun K.","Hydroboration and reductive amination of ketones and aldehydes with HBpin by a bench stable Pd(II)-catalyst.","Organic & biomolecular chemistry","2022","20","5","1103","1111","10.1039/d1ob02339j","","x-ray","0.71073","MoKα","","0.1902","0.0698","","","0.1318","0.1852","","","","","","0.971","","","","has coordinates","272756","2022-02-04","20:00:16",""
"7158480","9.8554","0.0002","15.7898","0.0004","26.9608","0.0006","90","","90","","90","","4195.5","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O4 S -","- C22 H36 O4 S -","- C176 H288 O32 S8 -","8","2","","Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva","On the mechanism of the dyotropic expansion of hydrindanes into decalins.","Organic & biomolecular chemistry","2022","20","5","1073","1079","10.1039/d1ob02150h","","","1.54178","CuKα","","0.0526","0.0489","","","0.1318","0.139","","","","","","1.062","","","","has coordinates","272755","2022-02-04","19:59:48",""
"7158488","9.3578","0.0003","11.4643","0.0003","23.4068","0.0007","90","","90","","90","","2511.1","0.13","157","2","157","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O6 -","- C27 H40 O6 -","- C108 H160 O24 -","4","1","","Shi, Zhengyi; Hu, Hong; Guo, Yi; Duan, Yulin; Zhang, Yeting; Tao, Bo; Bu, Pengfei; Sun, Weiguang; Qi, Changxing; Zhang, Yonghui","Discovery of 13,15-<i>nor</i>-polycyclic polyprenylated acylphloroglucinols from <i>Hypericum longistylum</i> with anti-inflammatory activity.","Organic & biomolecular chemistry","2022","20","6","1284","1291","10.1039/d1ob02107a","","","1.54178","CuKα","","0.0486","0.0481","","","0.1319","0.1324","","","","","","1.048","","","","has coordinates","273416","2022-03-04","22:23:43",""
"7158498","5.7949","0.0004","15.4144","0.0012","21.1109","0.0017","90","","90","","90","","1885.7","0.2","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 F2 O S -","- C24 H18 F2 O S -","- C96 H72 F8 O4 S4 -","4","1","","Cai, Yingying; Liu, Chi; Liu, Guangying; Li, Chengxi; Jiang, Huanfeng; Zhu, Chuanle","Access to α,α-difluoro(arylthio)methyl oxetanes from α,α-difluoro(arylthio)methyl ketones and trimethylsulfoxonium halides: scope, mechanism and applications.","Organic & biomolecular chemistry","2022","20","7","1500","1509","10.1039/d1ob02268g","","","0.71073","MoKα","","0.0777","0.0532","","","0.1108","0.1295","","","","","","1.095","","","","has coordinates","273426","2022-03-04","22:24:41",""
"7158505","9.4321","0.0003","14.6668","0.0005","17.7584","0.0006","90","","90","","90","","2456.67","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O2 S -","- C27 H30 N2 O2 S -","- C108 H120 N8 O8 S4 -","4","1","","Sun, Peng; Jia, Zi-Hao; Tang, Li; Zheng, Hao; Li, Zhang-Rui; Chen, Ling-Yan; Li, Ya","Enantioselective synthesis of 2-indolyl methanamine derivatives through disulfonimide-catalyzed Friedel-Crafts C2-alkylation of 3-substituted indoles with imines.","Organic & biomolecular chemistry","2022","20","9","1916","1925","10.1039/d1ob02281d","","","0.71073","MoKα","","0.0393","0.0338","","","0.0831","0.0871","","","","","","1.065","","","","has coordinates","273434","2022-03-04","22:25:58",""
"7158522","5.457","0.002","10.698","0.005","21.399","0.009","90","","90","","90","","1249.3","0.9","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 O5 S -","- C10 H16 O5 S -","- C40 H64 O20 S4 -","4","1","","Chen, Wei-Li; Liu, Zhang-Wei; Wang, Ying-Chun; Ma, Xiao-Pan; Mo, Dong-Liang","MnSO<sub>4</sub>-promoted S-O bond cleavage for synthesizing functionalized sulfonium ylides from activated alkynes and sulfoxides.","Organic & biomolecular chemistry","2022","20","8","1656","1661","10.1039/d1ob02491d","","","0.71073","MoKα","","0.0434","0.0421","","","0.1014","0.1026","","","","","","1.225","","","","has coordinates","273412","2022-03-04","22:22:59",""
"7158526","8.9657","0.0002","13.2198","0.0002","18.8147","0.0003","90","","90","","90","","2230.01","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O5 -","- C24 H36 O5 -","- C96 H144 O20 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0331","0.0299","","","0.0978","0.0989","","","","","","1.296","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158527","9.97027","0.00008","13.27902","0.0001","20.904","0.0002","90","","90","","90","","2767.59","0.04","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O8 -","- C29 H44 O8 -","- C116 H176 O32 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0279","0.0271","","","0.069","0.0697","","","","","","1.044","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158528","7.4781","0.0004","12.81","0.0008","25.4104","0.0014","90","","90","","90","","2434.2","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H46 O6 -","- C25 H46 O6 -","- C100 H184 O24 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0453","0.0427","","","0.1128","0.1149","","","","","","1.095","","","","has coordinates","275055","2022-05-05","20:54:02",""
"7158530","8.31799","0.00011","10.12992","0.00017","28.0673","0.0004","90","","90","","90","","2364.97","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24.19 H42.38 O7 -","- C24.191 H42.382 O7 -","- C96.764 H169.528 O28 -","4","1","","Ure, Elizabeth M.; Harris, Lawrence D.; Cameron, Scott A.; Weymouth-Wilson, Alex; Furneaux, Richard H.; Pitman, Janet L.; Hinkley, Simon F.; Luxenburger, Andreas","Synthesis of 12β-methyl-18-<i>nor</i>-avicholic acid analogues as potential TGR5 agonists.","Organic & biomolecular chemistry","2022","20","17","3511","3527","10.1039/d1ob02401a","","x-ray","1.54184","CuKα","","0.0378","0.0369","","","0.0966","0.0975","","","","","","1.044","","","","has coordinates,has disorder","275055","2022-05-05","20:54:02",""
"7158533","7.3015","0.0001","11.6303","0.0002","28.2622","0.0003","90","","90","","90","","2399.99","0.06","172.97","0.13","172.97","0.13","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 -","- C14 H16 O3 -","- C112 H128 O24 -","8","2","","Hu, Jiadong; Ji, Kai; Yan, Lihong; Yang, Siyu; Li, Yin; Wen, Wen; Chen, Le; Wu, Xiaohui; Hu, Youcai; Xie, Weiqing","A concise synthesis of herbertenolide","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00041E","","x-ray","1.54184","CuKα","","0.032","0.0311","","","0.0787","0.0793","","","","","","1.044","","","","has coordinates","273046","2022-02-20","01:26:58",""
"7158549","8.5857","0.0001","11.065","0.0001","26.4839","0.0002","90","","90","","90","","2515.99","0.04","179.99","0.1","179.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 N2 O3 -","- C33 H26 N2 O3 -","- C132 H104 N8 O12 -","4","1","","Wang, Wei-Na; Liu, Ren-Ming; Zhang, Lei; Liu, Xiong-Li; Dai, Yi-Feng; Yu, Zhang-Biao; Peng, Li-Jun","Ring opening and skeletal reconstruction of 3-vinyl benzofuranone-chromone synthons: catalyst-free access to skeletally-diverse 2-pyridone and optically active imidazoline derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D1OB02432A","","x-ray","1.54184","CuKα","","0.029","0.0285","","","0.0758","0.0764","","","","","","1.056","","","","has coordinates","273316","2022-03-04","01:42:18",""
"7158550","5.9706","0.0008","8.0539","0.0008","42.817","0.005","90","","90","","90","","2058.9","0.4","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C88 H116 N4 O20 -","4","1","","Stakanovs, Georgijs; Belyakov, Sergey; Jirgensons, Aigars; Rasina, Dace","Convergent Biomimetic Semisynthesis of Disesquiterpenoid Rumphellolide J","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00238H","","x-ray","1.54184","CuKα","","0.098","0.0789","","","0.1769","0.1965","","","","","","1.051","","","","has coordinates","273317","2022-03-04","01:43:09",""
"7158557","7.53431","0.00004","11.74547","0.00007","21.92815","0.00013","90","","90","","90","","1940.51","0.019","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 O6 -","- C18 H28 N2 O6 -","- C72 H112 N8 O24 -","4","1","","Yan, Jiahang; Zhang, Wenting; He, Qiaoqiao; Hou, Jun; Zeng, Hongxin; Wei, Hongbo; Xie, Weiqing","Enantioselective direct vinylogous Michael addition for constructing enantioenriched γ,γ-dialkyl substituted butyrolactams and octahydroindoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00112H","","x-ray","1.54184","CuKα","","0.0272","0.0271","","","0.0686","0.0687","","","","","","1.108","","","","has coordinates","273519","2022-03-08","01:32:51",""
"7158569","7.7647","0.0005","12.5408","0.0011","38.014","0.003","90","","90","","90","","3701.6","0.5","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C153 H106 Cl2 F40 N8 O16 S8 -","- C153 H106 Cl2 F40 N8 O16 S8 -","- C153 H106 Cl2 F40 N8 O16 S8 -","1","0.25","","Llobat, Alberto; Escorihuela, Jorge; Ramírez de Arellano, Carmen; Fustero, Santos; Medio-Simón, Mercedes","Intramolecular rhodium-catalysed [2 + 2 + 2] cycloaddition of linear chiral N-bridged triynes: straightforward access to fused tetrahydroisoquinoline core","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00340F","","","0.71073","MoKα","","0.0583","0.0523","","","0.1317","0.1371","","","","","","1.144","","","","has coordinates,has disorder","273674","2022-03-12","01:35:27",""
"7158572","9.1696","0.0008","10.0689","0.0009","25.845","0.002","90","","90","","90","","2386.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 B O P -","- C25 H35 B O P -","- C100 H140 B4 O4 P4 -","4","1","","Zhai, De-Hua; Yan, Bing-Xia; Li, Zhan-Cai; Lin, Zhu; Li, Qiang; Wang, Yan-Lan; Zheng, Hong-Xing; Zhao, Chang-Qiu","The stereoselective conversion of epimerized alkoxyl phosphine–borane to P,C, axial-stereogenic tertiary phosphine via cleavage of P–O bond","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00351A","","","0.71073","MoKα","","0.1715","0.1046","","","0.2575","0.298","","","","","","1.086","","","","has coordinates","273767","2022-03-18","01:38:04",""
"7158574","12.84","0.05","13.69","0.05","14.68","0.05","90","","90","","90","","2580","16","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 B O P -","- C26 H37 B O P -","- C104 H148 B4 O4 P4 -","4","1","","Zhai, De-Hua; Yan, Bing-Xia; Li, Zhan-Cai; Lin, Zhu; Li, Qiang; Wang, Yan-Lan; Zheng, Hong-Xing; Zhao, Chang-Qiu","The stereoselective conversion of epimerized alkoxyl phosphine–borane to P,C, axial-stereogenic tertiary phosphine via cleavage of P–O bond","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00351A","","","0.71073","MoKα","","0.2276","0.1183","","","0.2873","0.35","","","","","","0.965","","","","has coordinates","273767","2022-03-18","01:38:05",""
"7158595","6.7215","0.0002","18.6021","0.0005","20.0805","0.0005","90","","90","","90","","2510.75","0.12","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F N O5 S2 -","- C28 H24 F N O5 S2 -","- C112 H96 F4 N4 O20 S8 -","4","1","","Son, Yeri; Hwang, Sunjoo; Bak, Sujin; Kim, Ha Eun; Choi, Jun-Ho; Chung, Won-Jin","α-Fluoroamine synthesis <i>via</i> P(III)-mediated deoxygenative geminal fluorosulfonimidation of 1,2-diketones.","Organic & biomolecular chemistry","2022","20","16","3263","3267","10.1039/d2ob00498d","","","0.71073","MoKα","","0.0399","0.0342","","","0.0794","0.082","","","","","","1.13","","","","has coordinates","275063","2022-05-05","20:55:09",""
"7158601","9.5944","0.0016","12.7794","0.0019","14.847","0.003","90","","90","","90","","1820.4","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0511","0.0384","","","0.0763","0.0812","","","","","","1.034","","","","has coordinates","274092","2022-03-30","00:22:34",""
"7158608","11.3229","0.0014","12.9953","0.0015","17.423","0.002","90","","90","","90","","2563.7","0.5","138","2","138","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N4 O4 S -","- C25 H36 N4 O4 S -","- C100 H144 N16 O16 S4 -","4","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0605","0.0401","","","0.0767","0.0838","","","","","","1.028","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158609","7.0729","0.0019","9.1807","0.0018","28.272","0.006","90","","90","","90","","1835.8","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","1","","Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.","A stereochemical journey around spirocyclic glutamic acid analogs","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00146B","","","0.71073","MoKα","","0.0707","0.0492","","","0.101","0.111","","","","","","1.026","","","","has coordinates","274092","2022-03-30","00:22:35",""
"7158621","5.466","0.0012","10.025","0.002","15.193","0.004","90","","90","","90","","832.5","0.3","146.15","","146.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Auddy, Sourya Shankar; Saha, Sanu; Goswami, Rajib Kumar","Total synthesis and stereochemical assignment of bipolamide A acetate.","Organic & biomolecular chemistry","2022","20","16","3348","3358","10.1039/d2ob00230b","","","0.71073","MoKα","","0.0505","0.0419","","","0.0963","0.1026","","","","","","1.079","","","","has coordinates","275061","2022-05-05","20:54:57",""
"7158638","5.8525","0.0002","13.9095","0.0004","34.562","0.0008","90","","90","","90","","2813.53","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O3 -","- C32 H38 N2 O3 -","- C128 H152 N8 O12 -","4","1","","Glavaš, Mladena; Gredičak, Matija; Stefanic, Zoran; Jerić, Ivanka","Synthesis of 14-membered enediyne-embedded macrocycles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00090C","","x-ray","1.54184","CuKα","","0.062","0.0468","","","0.1022","0.1166","","","","","","1.057","","","","has coordinates","274544","2022-04-15","00:40:54",""
"7158649","7.1151","0.0001","8.4448","0.0001","21.3264","0.0002","90","","90","","90","","1281.41","0.03","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,1,2,2-tetramethyl-cyclobuta-quinolin-3(1H)-one","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Takagi, Ryukichi; Tanimoto, Takaaki","Enantioselective [2 + 2] photocycloaddition of quinolone using a <i>C</i><sub>1</sub>-symmetric chiral phosphoric acid as a visible-light photocatalyst.","Organic & biomolecular chemistry","2022","20","19","3940","3947","10.1039/d2ob00607c","","x-ray","1.54184","CuKα","","0.0304","0.0295","","","0.0765","0.0773","","","","","","1.02","","","","has coordinates","275820","2022-06-06","02:03:25",""
"7158656","7.1082","0.0001","14.5273","0.0002","31.578","0.0005","90","","90","","90","","3260.84","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N3 O4 -","- C17 H21 N3 O4 -","- C136 H168 N24 O32 -","8","2","","Edmonds, Anthony K.; Oakes, Catherine S.; Hassell-Hart, Storm; Bruyère, Didier; Tizzard, Graham J.; Coles, Simon J.; Felix, Robert; Maple, Hannah J.; Marsh, Graham P.; Spencer, John","Scale-up and optimization of the synthesis of dual CBP/BRD4 inhibitor ISOX-DUAL.","Organic & biomolecular chemistry","2022","20","19","4021","4029","10.1039/d2ob00609j","","x-ray","1.54178","CuKα","K-L~3~","0.0592","0.0533","","","0.1274","0.1309","","","","","","1.086","","","","has coordinates","275823","2022-06-06","02:04:45",""
"7158664","9.6026","0.0002","12.0411","0.0003","14.2206","0.0004","90","","90","","90","","1644.27","0.07","100","0.3","100","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N3 -","- C19 H27 N3 -","- C76 H108 N12 -","4","1","","Mikshiev, Vladimir Y.; Tolstoy, Peter; Puzyk, Aleksandra M.; Kirichenko, Sergey O.; Antonov, Alexander S.","peri-Interactions in 1,8-bis(dimethylamino)naphthalene ortho-ketimine cations facilitate [1,5]-hydride shift: selective synthesis of 1,2,3,4-tetrahydrobenzo[h]quinazolines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00674J","","x-ray","1.54184","CuKα","","0.0366","0.0335","","","0.09","0.0918","","","","","","1.052","","","","has coordinates","274903","2022-05-05","00:36:14",""
"7158667","8.1752","0.0001","10.1853","0.0001","22.075","0.0002","90","","90","","90","","1838.12","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O5 -","- C20 H30 O5 -","- C80 H120 O20 -","4","1","","Hu, Jinhua; Zhang, Wenge; Tan, Haibo; Li, Saini; Gao, Xiaoxia; Liu, Zhaoming; Wang, Yanlin; Liu, Hong-Xin; Zhang, Weimin","Neocucurbins A-G, novel macrocyclic diterpenes and their derivatives from Neocucurbitaria unguis-hominis FS685","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00585A","","x-ray","1.54184","CuKα","","0.0289","0.0287","","","0.0714","0.0716","","","","","","1.066","","","","has coordinates,has disorder","275091","2022-05-06","00:29:57",""
"7158699","4.0812","0.0008","17.973","0.003","19.807","0.004","90","","90","","90","","1452.9","0.5","293.31","","293.31","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C84 H56 N8 -","4","1","","Samanta, Surya Kanta; Sarkar, Rumpa; Sengupta, Utsav; Das, Sayan; Ganguly, Debabani; Hasija, Avantika; Chopra, Deepak; Bera, Mrinal K.","A direct entry to polycyclic quinoxaline derivatives <i>via</i> I<sub>2</sub>-DMSO mediated oxidative decarboxylation of α-amino acids and the subsequent Pictet-Spengler cyclization reaction.","Organic & biomolecular chemistry","2022","20","22","4650","4658","10.1039/d2ob00503d","","","0.71073","MoKα","","0.1222","0.0981","","","0.2533","0.2696","","","","","","1.102","","","","has coordinates","276676","2022-07-06","08:37:48",""
"7158709","11.3481","0.0001","14.9237","0.0002","19.9392","0.0003","90","","90","","90","","3376.82","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 -","- C22 H20 O4 -","- C176 H160 O32 -","8","2","","Sun, Mohan; Ma, Xianjie; Shao, Siyuan; Jiang, Jianwei; Li, Jiaan; Tian, Jinying; Zhang, Jianjun; Li, Li; Ye, Fei; Li, Shuai","Atropisomeric 9,10-dihydrophenanthrene/bibenzyl trimers with anti-inflammatory and PTP1B inhibitory activities from Bletilla striata","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00489E","","x-ray","1.54184","CuKα","","0.0364","0.0341","","","0.0865","0.0879","","","","","","1.053","","","","has coordinates","275653","2022-05-26","00:43:48",""
"7158711","10.3298","0.0004","13.1904","0.0004","22.5489","0.0006","90","","90","","90","","3072.38","0.17","170","2","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 N3 Ni O4 -","- C37 H35 N3 Ni O4 -","- C148 H140 N12 Ni4 O16 -","4","1","","Yu, Chao; Yu, Yuyan; Sun, Longwu; Li, Xinzhi; Liu, Zhigang; Ke, Miaolin; Chen, Fener","Highly diastereo- and enantioselective synthesis of multisubstituted allylic amino acid derivatives by allylic alkylation of a chiral glycine-based nickel complex and vinylethylene carbonates.","Organic & biomolecular chemistry","2022","20","24","4894","4899","10.1039/d2ob00726f","","","0.71073","MoKα","","0.028","0.0247","","","0.0567","0.058","","","","","","1.033","","","","has coordinates","276673","2022-07-06","08:36:43",""
"7158737","5.8174","0.0002","8.2527","0.0003","31.1764","0.001","90","","90","","90","","1496.76","0.09","150","2","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N O3 S -","- C16 H12 Br N O3 S -","- C64 H48 Br4 N4 O12 S4 -","4","1","","Jin, Lvnan; Zhou, Xuan; Zhao, Yunbo; Guo, Jing; Stephan, Douglas W.","Catalyst-dependent chemoselective insertion of diazoalkanes into N-HΧ-HΟ-HΧ-O bonds of 2-hydroxybenzothiazoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01048H","","","1.54178","CuKα","","0.0246","0.0242","","","0.0606","0.0609","","","","","","1.089","","","","has coordinates","276265","2022-06-25","00:28:57",""
"7158785","13.659","0.007","17.867","0.009","31.896","0.016","90","","90","","90","","7784","7","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 Br N3 O5 S -","- C42 H40 Br N3 O5 S -","- C336 H320 Br8 N24 O40 S8 -","8","2","","Madavi, Shiva Prasad; Murugesan, Sivaprakash; Alagarsamy, Palanichamy","Aminocatalytic asymmetric [4+2]-annulation to access functionally rich hexahydrospiroindole pyrazolones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01085B","","","0.71073","MoKα","","0.1354","0.0649","","","0.1291","0.158","","","","","","1.015","","","","has coordinates,has disorder","276872","2022-07-23","02:29:36",""
"7158795","8.797","0.0007","9.5081","0.001","31.917","0.003","90","","90","","90","","2669.6","0.4","303","2","303","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Cl N O2 S Se2 -","- C28 H24 Cl N O2 S Se2 -","- C112 H96 Cl4 N4 O8 S4 Se8 -","4","1","","Tan, Xiao-Ju; Zhao, Kun; Zhong, Xue-Fang; Yang, Lan; Dong, Yi-Ming; Wang, Tian-Mi; Yu, Shengping; Zhao, Zhi-Gang; Li, Xiao-Xiao","Synthesis of 1,2-diselenides via potassium persulfate mediated diselenation of allenamides with diselenides.","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00964A","","","0.71073","MoKα","","0.0707","0.0321","","","0.0649","0.0716","","","","","","1.02","","","","has coordinates","276938","2022-07-26","00:47:07",""
"7158797","6.0853","0.0002","6.9127","0.0002","21.3235","0.0004","90","","90","","90","","896.99","0.04","100","0.3","100","0.3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N O5 -","- C8 H11 N O5 -","- C32 H44 N4 O20 -","4","1","","Sperry, Jonathan; Lau, Michelle; Neville, Jessica; Söhnel, Tilo","Haber-independent, asymmetric synthesis of the marine alkaloid epi-leptosphaerin from a chitin-derived chiral pool synthon","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01251K","","x-ray","1.54184","CuKα","","0.0307","0.0294","","","0.0731","0.0741","","","","","","1.058","","","","has coordinates","276954","2022-07-27","00:43:04",""
"7158798","8.3018","0.0001","10.5357","0.0001","20.1722","0.0001","90","","90","","90","","1764.37","0.03","189.99","0.1","189.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O3 -","- C22 H17 N O3 -","- C88 H68 N4 O12 -","4","1","","Yang, Min; Gao, Yu-Lin; Xie, Ming-Sheng; Guo, Hai-Ming","ArPNO-catalyzed acylative kinetic resolution of tertiary alcohols: access to 3-hydroxy-3-substituted oxindoles","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01205G","","x-ray","1.54184","CuKα","","0.0345","0.034","","","0.0863","0.0868","","","","","","1.1026","","","","has coordinates","276971","2022-07-28","00:37:40",""
"7158813","11.1944","0.0015","12.3535","0.0017","20.244","0.003","90","","90","","90","","2799.5","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 N3 O6 S -","- C29 H29 N3 O6 S -","- C116 H116 N12 O24 S4 -","4","1","","Wang, Kai-Kai; Li, Yan-Li; Chen, Rongxiang; Jing, Jun; Zhao, Na-Na; Li, Zhi-Hui; Wang, Ming-Yue; Ji, Shuo-Ke","Synthesis of 1,3,5-trisubstituted pyrazoles via 1,3-dipolar cycloaddition of nitrile imines with ninhydrin-derived Morita−Baylis−Hillman carbonates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01253G","","","0.71073","MoKα","","0.0622","0.0472","","","0.1252","0.1327","","","","","","1.067","","","","has coordinates","277164","2022-08-09","01:15:56",""
"7158827","5.5406","0.0003","8.3315","0.0005","27.8631","0.0012","90","","90","","90","","1286.2","0.12","292.95","0.1","292.95","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Br N2 -","- C15 H11 Br N2 -","- C60 H44 Br4 N8 -","4","1","","Chen, Lianmei; Zhou, Chuang; Li, Jing; Li, Jun; Guo, Xiaoqiang; Kang, Tai-Ran","Copper-catalyzed reactions of α,β-unsaturated N-tosylhydrazones with diaryliodonium salts to construct N-arylpyrazoles and diaryl sulfones","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01338J","","x-ray","1.54184","CuKα","","0.0917","0.0804","","","0.2372","0.2596","","","","","","1.083","","","","has coordinates","277300","2022-08-18","00:37:26",""
"7158850","5.6689","0.0001","10.2755","0.0001","27.477","0.0004","90","","90","","90","","1600.56","0.04","153","2","153","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 -","- C23 H20 -","- C92 H80 -","4","1","","Zhang, Zhebing; Cai, Tao; Zhan, Zhaohui; Xu, Huiting; Yu, Lemao; Luo, Xiang; Li, Chunmei; Gao, Yuzhen; Wei, Xuemei; Chen, Xinzhi; Shen, Run-pu","Assembly of 5H-dibenzo[a,d]cycloheptenes by a formal [5 + 2] annulation of ortho-aryl alkynyl benzyl alcohols with arenes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01335E","","","1.54184","CuKα","","0.0365","0.035","","","0.0908","0.0919","","","","","","1.05","","","","has coordinates","277418","2022-08-27","01:20:04",""
"7158858","5.4394","0.0009","25.596","0.005","30.105","0.007","90","","90","","90","","4191.4","1.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H66 N6 -","- C48 H66 N6 -","- C192 H264 N24 -","4","1","","Skowronek, Paweł; Prusinowska, Natalia; Bardziński, Mateusz; Janiak, Agnieszka","Symmetry-driven diastereoselective functionalization of simple trianglamine","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01226J","","","0.71073","MoKα","","0.2355","0.1071","","","0.2084","0.2887","","","","","","0.974","","","","has coordinates","277527","2022-09-01","00:51:19",""
"7158865","7.5911","0.0003","15.4627","0.0009","22.8695","0.001","90","","90","","90","","2684.4","0.2","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H49 N -","- C30 H49 N -","- C120 H196 N4 -","4","1","","Churchman, Luke R.; Salisbury, Lauren J.; De Voss, James Joseph","Synthesis of Obtusifoliol and Analogues as CYP51 Substrates","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01307J","","x-ray","1.54184","CuKα","","0.0613","0.0538","","","0.1439","0.1519","","","","","","1.036","","","","has coordinates","277701","2022-09-07","00:35:15",""
"7158874","5.8863","0.0001","9.489","0.0002","29.6414","0.0007","90","","90","","90","","1655.62","0.06","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 F2 O3 S -","- C19 H18 F2 O3 S -","- C76 H72 F8 O12 S4 -","4","1","","Hsueh, Nai-Chen; Chang, Meng-Yang","BF3·OEt2-Mediated Nucleophilic Fluorocyclization of Sulfonyl 3-Methylene-oxabenzocyclooctan-6-ones. Diastereocontrolled Synthesis of Benzofused Fluorooxabicyclo[4.2.1]nonanes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01459A","","x-ray","0.71073","MoKα","","0.0336","0.0314","","","0.0767","0.078","","","","","","1.034","","","","has coordinates","277744","2022-09-09","00:34:50",""
"7158877","9.631","0.0002","19.7773","0.0004","20.869","0.0004","90","","90","","90","","3975.03","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F3 N2 O4 -","- C19 H25 F3 N2 O4 -","- C152 H200 F24 N16 O32 -","8","2","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.0357","0.032","","","0.0757","0.0779","","","","","","1.081","","","","has coordinates","277745","2022-09-09","00:36:23",""
"7158878","9.8654","0.0002","19.9514","0.0004","21.5323","0.0004","90","","90","","90","","4238.17","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F5 N2 O4 -","- C20 H25 F5 N2 O4 -","- C160 H200 F40 N16 O32 -","8","2","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.0304","0.0272","","","0.0619","0.0633","","","","","","1.06","","","","has coordinates","277745","2022-09-09","00:36:23",""
"7158879","6.2877","0.0003","16.4671","0.0006","21.5393","0.0008","90","","90","","90","","2230.18","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F5 N2 O4 -","- C20 H25 F5 N2 O4 -","- C80 H100 F20 N8 O16 -","4","1","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.1012","0.065","","","0.1097","0.1237","","","","","","1.09","","","","has coordinates","277745","2022-09-09","00:36:23",""
"7158881","9.197","0.0002","10.9472","0.0002","21.0651","0.0004","90","","90","","90","","2120.86","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 F5 N2 O4 -","- C20 H25 F5 N2 O4 -","- C80 H100 F20 N8 O16 -","4","1","","Chernykh, Anton V.; Aloshyn, Danylo; Kuchkovska, Yuliya O.; Daniliuc, Constantin Gabriel; Tolmachova, Nataliya A.; Kondratov, Ivan S.; Zozulya, Sergiy X.; Grygorenko, Oleksandr O.; Haufe, Guenter","Impact of β-Perfluoroalkyl Substitution of Proline on the Proteolytic Stability of Its Peptide Derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01430K","","","1.54178","CuKα","","0.0261","0.025","","","0.06","0.0608","","","","","","1.073","","","","has coordinates","277745","2022-09-09","00:36:24",""
"7158896","7.9942","0.0002","10.5274","0.0003","29.6819","0.0008","90","","90","","90","","2497.97","0.12","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","boneratamide A","","- C25 H40 N2 O4 -","- C25 H40 N2 O4 -","- C100 H160 N8 O16 -","4","1","","Ooka, Kaito; Nakanishi, Keisuke; Udagawa, Yutaro; Ichikawa, Yoshiyasu; Hosokawa, Seijiro","Bioinspired total synthesis of boneratamides A–C","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB00486K","","","1.54187","CuKα","","0.0479","0.0468","","","0.1294","0.1305","","","","","","1.051","","","","has coordinates","278152","2022-09-26","15:27:05",""
"7158910","10.8581","0.0016","14.632","0.002","27.589","0.004","90","","90","","90","","4383.2","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","MBC_240","","- C23.5 H21.5 Cl1.5 F N2 O3 -","- C23.5 H21.5 Cl1.5 F N2 O3 -","- C188 H172 Cl12 F8 N16 O24 -","8","2","","Chaudhari, Moreshwar B.; Gupta, Prachi; Llanes, Patricia; Zhou, Leijie; Zanda, Nicola; Pericas, Miquel A.","A sustainable, enantio- and diastereoselective approach to indoloquinolizidines in continuous flow","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01462A","","","0.71075","MoKα","","0.1856","0.0762","","","0.1689","0.2042","","","","","","1.028","","","","has coordinates,has disorder","278347","2022-10-05","00:42:22",""
"7158920","10.7902","0.0002","15.7345","0.0004","21.217","0.0006","90","","90","","90","","3602.19","0.15","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H35 Cl N2 O5 S2 -","- C39 H35 Cl N2 O5 S2 -","- C156 H140 Cl4 N8 O20 S8 -","4","1","","Sha, Hong-Kai; Qian, Yu; Yang, Xiangji; Dong, Kuiyong; Xu, Xinfang; Hu, Wenhao","A copper-catalyzed three-component reaction of dithioacetals with diazo ketones and ketimines","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01679F","","x-ray","1.54184","CuKα","","0.0824","0.0616","","","0.1462","0.1606","","","","","","1.064","","","","has coordinates","278519","2022-10-11","00:40:16",""
"7158937","6.3096","0.0002","12.9213","0.0004","26.6212","0.0008","90","","90","","90","","2170.38","0.12","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O3 Si -","- C23 H33 N O3 Si -","- C92 H132 N4 O12 Si4 -","4","1","","Mukhopadhyay, Soumendranath; Boobalan, Ramalingam; Chein, Rong-Jie","Oxathiaborolium-catalyzed enantioselective [2 + 2] cycloadditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01779B","","","1.54178","CuKα","","0.0357","0.032","","","0.0824","0.084","","","","","","1.066","","","","has coordinates","278637","2022-10-19","00:43:21",""
"7158939","6.4355","0.0001","11.0753","0.0002","32.5101","0.0004","90","","90","","90","","2317.16","0.06","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H35 N O3 Si -","- C24 H35 N O3 Si -","- C96 H140 N4 O12 Si4 -","4","1","","Mukhopadhyay, Soumendranath; Boobalan, Ramalingam; Chein, Rong-Jie","Oxathiaborolium-catalyzed enantioselective [2 + 2] cycloadditions","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01779B","","","1.54178","CuKα","","0.0262","0.0241","","","0.0615","0.0626","","","","","","1.039","","","","has coordinates","278637","2022-10-19","00:43:21",""
"7158956","8.5012","0.0005","17.032","0.0007","18.9074","0.001","90","","90","","90","","2737.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N3 O5 -","- C28 H31 N3 O5 -","- C112 H124 N12 O20 -","4","1","","Li, Min; Chen, Yihua; Yan, Yinkun; Liu, Min; Huang, Min; Li, Wenzhe; Cao, Lianyi; Zhang, Xiao-Mei","Organocatalytic asymmetric synthesis of quaternary α-isoxazole-α-alkynylamino acid derivatives","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01746F","","x-ray","1.54184","CuKα","","0.0658","0.0486","","","0.1219","0.1393","","","","","","1.015","","","","has coordinates,has disorder","278870","2022-10-29","10:56:12",""
"7158958","7.8681","0.0004","11.4609","0.0005","18.4466","0.0009","90","","90","","90","","1663.43","0.14","303","2","303.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.34139","GaKα","","0.0351","0.0342","","","0.0915","0.0924","","","","","","1.033","","","","has coordinates","278871","2022-10-29","10:57:28",""
"7158960","8.4147","0.0002","10.9726","0.0002","21.059","0.0004","90","","90","","90","","1944.4","0.07","170","2","169.97","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O9 -","- C20 H30 O9 -","- C80 H120 O36 -","4","1","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.34139","GaKα","","0.0322","0.0308","","","0.0781","0.0796","","","","","","1.064","","","","has coordinates","278871","2022-10-29","10:57:29",""
"7158962","6.7694","0.0002","14.5049","0.0004","16.9906","0.0005","90","","90","","90","","1668.3","0.08","170","2","170.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O7 -","- C20 H24 O7 -","- C80 H96 O28 -","4","1","","Ge, Zhan-Peng; Zhou, Bin; Zimbres, Flavia M.; Haney, Reagan S.; Liu, Qun-Fang; Wu, Yan; Cassera , Maria B.; Zhao, Jin-Xin; Yue, Jian-Min","Cephalotane-type C20 Diterpenoids from Cephalotaxus fortunei var. alpina","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01748B","","","1.34139","GaKα","","0.0266","0.0258","","","0.0661","0.0665","","","","","","1.044","","","","has coordinates","278871","2022-10-29","10:57:29",""
"7158967","9.9433","0.0001","17.2163","0.0001","18.8694","0.0001","90","","90","","90","","3230.19","0.04","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1","","- C38 H32 N4 O2 S2 -","- C38 H32 N4 O2 S2 -","- C152 H128 N16 O8 S8 -","4","1","","Liu, Baolin; Deng, Qingsong; Zhang, Lei; Meng, Xiangtai","Switchable C2/C3 positional selectivity of thioisatins in a three-component domino reaction: combined computational and experimental studies","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01764D","","x-ray","1.54184","CuKα","","0.0328","0.0313","","","0.0847","0.0861","","","","","","1.043","","","","has coordinates","278922","2022-11-03","01:44:10",""
"7158992","6.3601","0.0004","9.4921","0.0006","29.8749","0.0018","90","","90","","90","","1803.57","0.19","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 F N2 O8 -","- C17 H17 F N2 O8 -","- C68 H68 F4 N8 O32 -","4","1","","Benckendorff, Caecilie M. M.; Slyusarchuk, Valentyna; Huang, Ningwu; Lima, Marcelo A.; Smith, Mark; Miller, Gavin John","Synthesis of fluorinated carbocyclic pyrimidine nucleoside analogues","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01761J","","","0.71073","MoKα","","0.1134","0.0716","","","0.0921","0.101","","","","","","1.14","","","","has coordinates","279277","2022-11-15","02:00:17",""
"7158995","10.07","0.003","10.261","0.002","21.377","0.004","90","","90","","90","","2208.8","0.9","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 O6 -","- C25 H29 O6 -","- C100 H116 O24 -","4","1","","Sun, Yunpeng; Wang, Yongyue; Li, Yaqi; Wang, Siyuan; Zhang, Danyang; Kong, Lingyi; Luo, Jun","Sarcaglarone A, a lindenane–monoterpene heterodimer from the seeds of Sarcandra glabra","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01830F","","","1.54178","CuKα","","0.1322","0.0997","","","0.2359","0.2583","","","","","","0.981","","","","has coordinates,has disorder","279305","2022-11-16","01:41:16",""
"7158999","15.529","0.002","19.627","0.003","31.278","0.004","90","","90","","90","","9533","2","120","","120","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C91 H75 Cl3 F6 N8 Ni2 O8 -","- C91 H75 Cl3 F6 N8 Ni2 O8 -","- C364 H300 Cl12 F24 N32 Ni8 O32 -","4","1","","Arsenov, Mikhail A.; Stoletova, Nadezhda V.; Savel'yeva, Tat'yana F.; Smol'yakov, Alexander F.; Maleev, Victor I.; Loginov, Dmitry A.; Larionov, Vladimir A.","An asymmetric metal-templated route to amino acids with an isoquinolone core via a Rh(iii)-catalyzed coupling of aryl hydroxamates with chiral propargylglycine Ni(ii) complexes","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01970A","","","0.71073","MoKα","","0.1194","0.0998","","","0.2545","0.2693","","","","","","1.019","","","","has coordinates","279374","2022-11-18","01:47:32",""
"7159000","8.0019","0.0003","10.5127","0.0004","17.2834","0.0006","90","","90","","90","","1453.91","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O6 -","- C14 H23 N O6 -","- C56 H92 N4 O24 -","4","1","","Klein, Marco T.; Krause, Bernhard M.; Neudörfl, Jörg-Martin; Kühne, Ronald; Schmalz, Hans-Günther","Design and synthesis of a tetracyclic tripeptide mimetic frozen in a polyproline type II (PP2) helix conformation","Organic & Biomolecular Chemistry","2022","","","","","10.1039/D2OB01857H","","","1.54178","CuKα","","0.0258","0.0256","","","0.0644","0.0646","","","","","","1.066","","","","has coordinates","279375","2022-11-18","01:48:00",""
"7159004","7.99848","0.00014","10.47849","0.00019","18.8198","0.0003","90","","90","","90","","1577.32","0.05","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 N O -","- C9 H9 N O -","- C72 H72 N8 O8 -","8","2","","Yoshimura, Yuki; Tanaka, Yudai; Kobayashi, Ryota; Niikura, Kohei; Kawasaki, Tsuneomi","Asymmetric Strecker reaction at the solid/solid interface.","Organic & biomolecular chemistry","2023","21","3","520","524","10.1039/d2ob01802k","","","1.54187","CuKα","","0.0384","0.0371","","","0.1055","0.1064","","","","","","1.071","","","","has coordinates","283490","2023-05-05","03:28:56",""
"7159006","7.99688","0.00014","10.47544","0.00019","18.8109","0.0003","90","","90","","90","","1575.8","0.05","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","p-tolualdehyde cyanohydrin","","- C9 H9 N O -","- C9 H9 N O -","- C72 H72 N8 O8 -","8","2","","Yoshimura, Yuki; Tanaka, Yudai; Kobayashi, Ryota; Niikura, Kohei; Kawasaki, Tsuneomi","Asymmetric Strecker reaction at the solid/solid interface.","Organic & biomolecular chemistry","2023","21","3","520","524","10.1039/d2ob01802k","","","1.54187","CuKα","","0.0412","0.0408","","","0.1163","0.1166","","","","","","1.11","","","","has coordinates","283490","2023-05-05","03:29:00",""
"7159011","9.77455","0.00019","17.1488","0.0003","24.9042","0.0005","90","","90","","90","","4174.49","0.14","133","","133","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H66 N4 O8 -","- C38 H64 N4 O8 -","- C152 H256 N16 O32 -","4","1","","Nagata, Makoto; Watanabe, Mizuki; Doi, Ryohei; Uemura, Mai; Ochiai, Nanase; Ichinose, Wataru; Fujiwara, Koichi; Sato, Yoshihiro; Kameda, Tomoshi; Takeuchi, Koh; Shuto, Satoshi","Helix-forming aliphatic homo-δ-peptide foldamers based on the conformational restriction effects of cyclopropane.","Organic & biomolecular chemistry","2023","21","5","970","980","10.1039/d2ob01715f","","","1.54187","CuKα","","0.0604","0.0481","","","0.1172","0.1239","","","","","","1.051","","","","has coordinates","281563","2023-03-04","18:40:02",""
"7159015","8.0253","0.0004","10.2408","0.0005","20.0504","0.001","90","","90","","90","","1647.85","0.14","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0327","0.0326","","","0.0885","0.0886","","","","","","1.052","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159016","7.5187","0.0005","9.2274","0.0006","23.3001","0.0016","90","","90","","90","","1616.52","0.19","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0299","0.0298","","","0.0836","0.0839","","","","","","1.092","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159017","8.4578","0.0008","9.519","0.0009","19.2209","0.0018","90","","90","","90","","1547.5","0.3","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34138","GaKα","","0.0317","0.0316","","","0.0817","0.0818","","","","","","1.074","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159018","8.31","0.0017","10.917","0.002","17.12","0.004","90","","90","","90","","1553.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Zhang, Fuxin; Yang, Tao; Yang, Kailing; Zhou, Ruixi; Zhang, Yu; Chen, Wenwen; Liu, Zhetong; Zhan, Guanqun; Guo, Zengjun","Cytotoxic alkaloids from the twigs and leaves of <i>Cephalotaxus sinensis</i>.","Organic & biomolecular chemistry","2022","21","1","169","178","10.1039/d2ob01980a","","","1.34139","GaKα","","0.0353","0.0352","","","0.0947","0.0948","","","","","","1.079","","","","has coordinates","281548","2023-03-04","18:37:46",""
"7159025","5.7573","0.0003","8.3305","0.0006","30.537","0.002","90","","90","","90","","1464.59","0.16","293.1","1","293.1","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-phenylnaphtho[2,1-b]thiophen-1-amine","","- C18 H13 N S -","- C18 H13 N S -","- C72 H52 N4 S4 -","4","1","","Nguyen, Hoang Yen; Tran, Thi Minh Chau; Nguyen, Van Ha; Retailleau, Pascal; Mac, Dinh Hung; Nguyen, Thanh Binh","Reaction of 1-acetonaphthones with anilines and elemental sulfur: rapid construction of 1-anilinonaphtho[2,1-<i>b</i>]thiophenes.","Organic & biomolecular chemistry","2023","21","3","503","507","10.1039/d2ob01898e","","x-ray","0.71073","MoKα","","0.0688","0.0463","","","0.1207","0.1335","","","","","","1.027","","","","has coordinates","283494","2023-05-05","03:30:05",""
"7159030","9.6357","0.0006","12.2218","0.0008","14.9472","0.001","90","","90","","90","","1760.3","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Ma, Tao; He, Yonghui; Qiao, Xiu-Xiu; Zou, Chang-Peng; Wu, Xi-Xi; Li, Ganpeng; Zhao, Xiao-Jing","Chiral phosphoric acid-catalyzed enantioselective aza-Friedel-Crafts reaction of naphthols and electron-rich phenols with 2-aryl-3<i>H</i>-indol-3-ones.","Organic & biomolecular chemistry","2023","21","3","489","493","10.1039/d2ob02179j","","","1.54178","CuKα","","0.0335","0.0317","","","0.0836","0.0852","","","","","","1.067","","","","has coordinates","283491","2023-05-05","03:29:14",""
"7159038","9.4876","0.0009","10.2177","0.0011","12.7098","0.0014","90","","90","","90","","1232.1","0.2","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Br2 N O -","- C10 H14 Br2 N O -","- C40 H56 Br8 N4 O4 -","4","1","","Giannoulis, Angeliki; Ackermann, Katrin; Bogdanov, Alexey; Cordes, David B.; Higgins, Catherine; Ward, Joshua; Slawin, Alexandra M. Z.; Taylor, James E.; Bode, Bela E.","Synthesis of mono-nitroxides and of bis-nitroxides with varying electronic through-bond communication.","Organic & biomolecular chemistry","2023","21","2","375","385","10.1039/d2ob01863b","","x-ray","0.71073","MoKα","","0.0222","0.0188","","","0.0421","0.0426","","","","","","1.001","","","","has coordinates","281574","2023-03-04","18:41:17",""
"7159039","8.1283","0.0004","10.6899","0.0006","15.0823","0.0007","90","","90","","90","","1310.51","0.12","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 F2 N O3 S -","- C13 H11 F2 N O3 S -","- C52 H44 F8 N4 O12 S4 -","4","1","","Sanz-Marco, Amparo; Esperilla, Daniel; Montesinos-Magraner, Marc; Vila, Carlos; Muñoz, M. Carmen; Pedro, José R.; Blay, Gonzalo","A Cu-BOX catalysed enantioselective Mukaiyama-aldol reaction with difluorinated silyl enol ethers and acylpyridine N-oxides","Organic & Biomolecular Chemistry","2023","21","2","345","350","10.1039/D2OB01763F","","","0.71073","MoKα","","0.0739","0.0397","","","0.09","0.1096","","","","","","1","","","","has coordinates","282621","2023-04-13","12:20:52",""
"7159068","4.896","0.005","10.615","0.012","26.62","0.03","90","","90","","90","","1383","3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 I N O -","- C16 H12 I N O -","- C64 H48 I4 N4 O4 -","4","1","","Deng, Haowen; Wang, Jianshe; He, Wei; Ye, Yang; Bai, Renren; Zhang, Xuelei; Ye, Xiang-Yang; Xie, Tian; Hui, Zi","Microwave-assisted rapid synthesis of chiral oxazolines.","Organic & biomolecular chemistry","2023","21","11","2312","2319","10.1039/d2ob02192g","","","0.71073","MoKα","","0.0765","0.0346","","","0.0581","0.0695","","","","","","0.997","","","","has coordinates","283473","2023-05-05","03:23:04",""
"7159072","9.7168","0.0002","13.2364","0.0003","24.3055","0.0005","90","","90","","90","","3126.06","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H50 O9 -","- C33 H50 O9 -","- C132 H200 O36 -","4","1","","Shang, Chong; Huang, Xiao-Yan; Wang, Yuan; Dong, Wei; He, Xiao-Feng; Li, Tian-Ze; Chen, Ji-Jun","Artemongolides A-F, undescribed sesquiterpenoid dimers from <i>Artemisia mongolica</i> and their antihepatic fibrosis activities.","Organic & biomolecular chemistry","2023","21","4","823","831","10.1039/d2ob02182j","","","1.54178","CuKα","","0.0257","0.0255","","","0.0651","0.0652","","","","","","1.035","","","","has coordinates,has disorder","281570","2023-03-04","18:40:49",""
"7159083","6.786","0.002","15.114","0.005","24.774","0.008","90","","90","","90","","2540.9","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 N2 O3 Si -","- C23 H36 N2 O3 Si -","- C92 H144 N8 O12 Si4 -","4","1","","Zhang, Yu; Yi, Zi-Juan; Yang, Ai-Mei; Guo, Jia-Ming; Li, Xin; Wei, Bang-Guo","AgSbF<sub>6</sub>-catalyzed C3 <i>aza</i>-Friedel-Crafts alkylation of <i>N</i>,<i>O</i>-acetals with indoles for the synthesis of <i>N-α</i> indole substituted pyrrolidine and piperidine derivatives.","Organic & biomolecular chemistry","2023","21","6","1303","1315","10.1039/d2ob02213c","","","0.71073","MoKα","","0.0788","0.0489","","","0.1138","0.1339","","","","","","1.016","","","","has coordinates","281585","2023-03-04","18:42:45",""
"7159087","9.0266","0.0017","11.611","0.002","20.467","0.003","90","","90","","90","","2145.1","0.6","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 F3 N O4 -","- C24 H28 F3 N O4 -","- C96 H112 F12 N4 O16 -","4","1","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.059","0.0458","","","0.0942","0.1003","","","","","","1.033","","","","has coordinates","281587","2023-03-04","18:43:32",""
"7159089","7.9944","0.0002","11.8989","0.0003","25.114","0.0006","90","","90","","90","","2388.96","0.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 F3 N O4 -","- C27 H34 F3 N O4 -","- C108 H136 F12 N4 O16 -","4","1","","Sandulenko, Irina V.; Kovaleva, Ekaterina S.; Zelentsova, Maria V.; Ambartsumyan, Asmik A.; Gorlov, Sergey N.; Danshina, Anastasia A.; Aysin, Rinat R.; Moiseev, Sergey K.","Control of the diastereoselectivity at C(20) in the formation of C(21)-fluorinated thevinols.","Organic & biomolecular chemistry","2023","21","7","1440","1449","10.1039/d2ob02144g","","","0.71073","MoKα","","0.0337","0.0315","","","0.0766","0.0779","","","","","","1.02","","","","has coordinates","281587","2023-03-04","18:43:32",""
"7159100","5.695","0.003","15.637","0.008","15.874","0.008","90","","90","","90","","1413.6","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Biswas, Subir; Barman, Dipankar; Gogoi, Gautam; Hoque, Nazimul; Devi, Arpita; Purkayastha, Siddhartha K.; Guha, Ankur Kanti; Nath, Jayanta K.; Bania, Kusum K.","Heterogeneous iron catalyst for C(1)-H functionalization of 2-naphthols with primary aromatic alcohols.","Organic & biomolecular chemistry","2023","21","8","1657","1661","10.1039/d3ob00004d","","","0.71073","MoKα","","0.2664","0.0851","","","0.1763","0.2597","","","","","","0.916","","","","has coordinates","281558","2023-03-04","18:39:08",""
"7159121","8.0523","0.0017","13.171","0.003","17.268","0.004","90","","90","","90","","1831.4","0.7","294","1","294","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Belabbes, Asmaa; Retamosa, María Gracia; Foubelo, Francisco; Sirvent, Ana; Nájera, Carmen; Yus, Miguel; Sansano, José M","Pseudo-multicomponent 1,3-dipolar cycloaddition involving metal-free generation of unactivated azomethine ylides.","Organic & biomolecular chemistry","2023","21","9","1927","1936","10.1039/d3ob00023k","","","0.71073","MoKα","","0.0963","0.0447","","","0.0844","0.1038","","","","","","0.967","","","","has coordinates","283460","2023-05-05","03:19:34",""
"7159141","6.7853","0.0001","9.8587","0.0001","28.5856","0.0002","90","","90","","90","","1912.21","0.04","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N O3 -","- C21 H31 N O3 -","- C84 H124 N4 O12 -","4","1","","Tao, Qiaoqiao; Sang, Yining; Han, Tao; Zhou, Hongling; Zhang, Peng; Cai, Xiaofeng","20-<i>nor</i>-Isopimarane and isopimarane diterpenoids produced by <i>Aspergillus</i> sp. WT03.","Organic & biomolecular chemistry","2023","21","9","1895","1902","10.1039/d3ob00005b","","x-ray","1.54184","CuKα","","0.0328","0.0317","","","0.0803","0.0817","","","","","","1.064","","","","has coordinates","281597","2023-03-04","18:45:05",""
"7159142","7.4277","0.0001","10.9119","0.0001","20.6052","0.0002","90","","90","","90","","1670.06","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Tao, Qiaoqiao; Sang, Yining; Han, Tao; Zhou, Hongling; Zhang, Peng; Cai, Xiaofeng","20-<i>nor</i>-Isopimarane and isopimarane diterpenoids produced by <i>Aspergillus</i> sp. WT03.","Organic & biomolecular chemistry","2023","21","9","1895","1902","10.1039/d3ob00005b","","x-ray","1.54184","CuKα","","0.0304","0.0301","","","0.0824","0.0826","","","","","","1.065","","","","has coordinates","281597","2023-03-04","18:45:05",""
"7159143","6.48213","0.00005","15.3945","0.00009","17.15474","0.00011","90","","90","","90","","1711.86","0.02","100.01","0.1","100.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Tao, Qiaoqiao; Sang, Yining; Han, Tao; Zhou, Hongling; Zhang, Peng; Cai, Xiaofeng","20-<i>nor</i>-Isopimarane and isopimarane diterpenoids produced by <i>Aspergillus</i> sp. WT03.","Organic & biomolecular chemistry","2023","21","9","1895","1902","10.1039/d3ob00005b","","x-ray","1.54184","CuKα","","0.029","0.0284","","","0.0762","0.0767","","","","","","1.043","","","","has coordinates","281597","2023-03-04","18:45:05",""
"7159162","8.3089","0.0004","16.9378","0.001","22.9234","0.0013","90","","90","","90","","3226.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","MZ-11","","","- C32 H43 N5 O4 Si -","- C32 H43 N5 O4 Si -","- C128 H172 N20 O16 Si4 -","4","1","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","","0.71073","MoKα","","0.1274","0.1001","","","0.1894","0.2021","","","","","","1.455","","","","has coordinates","283434","2023-05-05","03:10:21",""
"7159164","7.2246","0.0003","14.0455","0.0007","24.2928","0.0011","90","","90","","90","","2465.1","0.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Borbasa ERJ750","","","- C27 H30 N8 O2 -","- C27 H30 N8 O2 -","- C108 H120 N32 O8 -","4","1","","Bege, Miklós; Herczeg, Mihály; Bereczki, Ilona; Debreczeni, Nóra; Bényei, Attila; Herczegh, Pál; Borbás, Anikó","Triaza-tricyclanos - synthesis of a new class of tricyclic nucleoside analogues by stereoselective cascade cyclocondensation.","Organic & biomolecular chemistry","2023","21","10","2213","2219","10.1039/d3ob00154g","","x-ray","0.71073","MoKα","","0.0539","0.0455","","","0.1206","0.1299","","","","","","1.151","","","","has coordinates","283434","2023-05-05","03:10:21",""
"7159166","8.3506","0.0002","11.0548","0.0003","35.8931","0.0009","90","","90","","90","","3313.44","0.15","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-butyl (3R,5S)-3-(2-(4-chlorophenyl)-2-oxoethyl)-9-oxo-6,8-diphenyl-1-oxa-4,7,8-triazaspiro[4.4]non-6-ene-4-carboxylate","","- C30 H28 Cl N3 O5 -","- C30 H28 Cl N3 O5 -","- C120 H112 Cl4 N12 O20 -","4","1","","Gil-Ordóñez, Marta; Martín, Laura; Maestro, Alicia; Andrés, José M","Organocatalytic asymmetric synthesis of oxazolidino spiropyrazolinones <i>via N</i>,<i>O</i>-acetalization/aza Michael addition domino reaction between <i>N</i>-Boc pyrazolinone ketimines and γ-hydroxyenones.","Organic & biomolecular chemistry","2023","21","11","2361","2369","10.1039/d2ob02290g","","x-ray","1.54184","CuKα","","0.0599","0.0513","","","0.1406","0.156","","","","","","1.102","","","","has coordinates","283478","2023-05-05","03:24:28",""
"7159167","9.96","0.002","17.857","0.004","21.419","0.004","90","","90","","90","","3809.5","1.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H41 N3 O6 S -","- C41 H41 N3 O6 S -","- C164 H164 N12 O24 S4 -","4","1","","Asmari Bardazard, Kamal; Shahrestani, Naeimeh; Zamani, Amirhosein; Eskandari, Mehdi; Jadidi, Khosrow; Hamzehloueian, Mahshid; Notash, Behrouz","Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study.","Organic & biomolecular chemistry","2023","21","10","2143","2161","10.1039/d2ob02311c","","","0.71073","MoKα","","0.2341","0.0994","","","0.2476","0.2975","","","","","","0.857","","","","has coordinates","283433","2023-05-05","03:10:12",""
"7159168","10.491","0.002","11.952","0.002","29.973","0.006","90","","90","","90","","3758.3","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H43 N3 O5 S -","- C44 H43 N3 O5 S -","- C176 H172 N12 O20 S4 -","4","1","","Asmari Bardazard, Kamal; Shahrestani, Naeimeh; Zamani, Amirhosein; Eskandari, Mehdi; Jadidi, Khosrow; Hamzehloueian, Mahshid; Notash, Behrouz","Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study.","Organic & biomolecular chemistry","2023","21","10","2143","2161","10.1039/d2ob02311c","","","0.71073","MoKα","","0.1096","0.0767","","","0.1918","0.2294","","","","","","1.097","","","","has coordinates","283433","2023-05-05","03:10:12",""
"7159169","7.8568","0.0016","10.363","0.002","30.033","0.006","90","","90","","90","","2445.3","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 N2 O5 -","- C29 H24 N2 O5 -","- C116 H96 N8 O20 -","4","1","","Asmari Bardazard, Kamal; Shahrestani, Naeimeh; Zamani, Amirhosein; Eskandari, Mehdi; Jadidi, Khosrow; Hamzehloueian, Mahshid; Notash, Behrouz","Regioselective synthesis of enantiopure 1,2- and 1,3-dispirooxindoles along with a DFT study.","Organic & biomolecular chemistry","2023","21","10","2143","2161","10.1039/d2ob02311c","","","0.71073","MoKα","","0.1933","0.0761","","","0.1086","0.1365","","","","","","0.849","","","","has coordinates","283433","2023-05-05","03:10:12",""
"7159171","6.5182","0.0002","12.3029","0.0005","14.3881","0.0004","90","","90","","90","","1153.82","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-isopropyl-3-(p-tolyl)oxazolidin-2-one","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.","Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","9","1952","1957","10.1039/d2ob02122f","","x-ray","0.71073","MoKα","","0.0403","0.0366","","","0.085","0.0879","","","","","","1.048","","","","has coordinates","281600","2023-03-04","18:45:32",""
"7159172","6.2495","0.0002","12.573","0.0003","15.1106","0.0005","90","","90","","90","","1187.31","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-4-(tert-butyl)-3-phenyloxazolidin-2-one","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Podrezova, Ekaterina V.; Okhina, Alina A.; Rogachev, Artem D.; Baykov, Sergey V.; Kirschning, Andreas; Yusubov, Mekhman S.; Soldatova, Natalia S.; Postnikov, Pavel S.","Ligand-free Ullmann-type arylation of oxazolidinones by diaryliodonium salts.","Organic & biomolecular chemistry","2023","21","9","1952","1957","10.1039/d2ob02122f","","x-ray","1.54184","CuKα","","0.0468","0.0405","","","0.0944","0.0969","","","","","","1.082","","","","has coordinates","281600","2023-03-04","18:45:32",""
"7159178","6.3673","0.0013","16.941","0.003","19.629","0.004","90","","90","","90","","2117.3","0.7","145","2","145","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 F N O2 -","- C25 H30 F N O2 -","- C100 H120 F4 N4 O8 -","4","1","","Manna, Utsab; Roy, Rajdip; Dutta, Abhishek; Roy, Nabanita","Phenylalanine conjugated supramolecular hydrogels developed from the mafenide and flurbiprofen multidrug for biological applications.","Organic & biomolecular chemistry","2023","21","11","2375","2389","10.1039/d2ob02300h","","","0.71073","MoKα","","0.2053","0.1653","","","0.3936","0.4309","","","","","","1.198","","","","has coordinates,has disorder","283479","2023-05-05","03:24:40",""
"7159182","12.28659","0.00003","13.35886","0.00003","16.12094","0.00004","90","","90","","90","","2646.01","0.011","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O7 -","- C28 H38 O7 -","- C112 H152 O28 -","4","1","","Watanabe, Yoshihiro; Takahashi, Shuhei; Ito, Sho; Tokiwa, Toshiyuki; Noguchi, Yoshihiko; Azami, Haruki; Kojima, Hiroki; Higo, Mayuka; Ban, Sayaka; Nagai, Kenichiro; Hirose, Tomoyasu; Sunazuka, Toshiaki; Yaguchi, Takashi; Nonaka, Kenichi; Iwatsuki, Masato","Hakuhybotrol, a polyketide produced by <i>Hypomyces pseudocorticiicola</i>, characterized with the assistance of 3D ED/MicroED.","Organic & biomolecular chemistry","2023","21","11","2320","2330","10.1039/d2ob02286a","","x-ray","1.54184","CuKα","","0.0256","0.0251","","","0.0654","0.0659","","","","","","1.027","","","","has coordinates","283474","2023-05-05","03:23:19",""
"7159183","12.69","0.13","13.47","0.13","16.8","0.4","90","","90","","90","","2872","8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O7 -","- C28 H38 O7 -","- C112 H152 O28 -","4","1","","Watanabe, Yoshihiro; Takahashi, Shuhei; Ito, Sho; Tokiwa, Toshiyuki; Noguchi, Yoshihiko; Azami, Haruki; Kojima, Hiroki; Higo, Mayuka; Ban, Sayaka; Nagai, Kenichiro; Hirose, Tomoyasu; Sunazuka, Toshiaki; Yaguchi, Takashi; Nonaka, Kenichi; Iwatsuki, Masato","Hakuhybotrol, a polyketide produced by <i>Hypomyces pseudocorticiicola</i>, characterized with the assistance of 3D ED/MicroED.","Organic & biomolecular chemistry","2023","21","11","2320","2330","10.1039/d2ob02286a","","electron","0.0251","200keVelectrons","","0.1938","0.1349","","","0.3044","0.3289","","","","","","1.612","","","","has coordinates","283474","2023-05-05","03:23:28",""
"7159194","7.6268","0.0005","9.3115","0.0007","24.2573","0.0018","90","","90","","90","","1722.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Br O3 S -","- C19 H13 Br O3 S -","- C76 H52 Br4 O12 S4 -","4","1","","Tamanna, ?; Sharma, Deepak; Chauhan, Pankaj","Asymmetric synthesis of spirocyclic isobenzofuranones <i>via</i> a squaramide-catalysed sulfa-Michael desymmetrisation reaction.","Organic & biomolecular chemistry","2023","21","12","2570","2574","10.1039/d3ob00126a","","","1.54178","CuKα","","0.0261","0.0252","","","0.0632","0.0641","","","","","","1.076","","","","has coordinates","283489","2023-05-05","03:28:46",""
"7159200","6.3864","0.001","10.5866","0.0017","19.684","0.003","90","","90","","90","","1330.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(tert-butyl (S,E)-(6-hydroxy-2-methylhex-4-en-3-yl)carbamate)","(tert-butyl (S,E)-(6-hydroxy-2-methylhex-4-en-3-yl)carbamate)","","- C12 H23 N O3 -","- C12 H23 N O3 -","- C48 H92 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","1.54178","CuKα","","0.0572","0.0416","","","0.0791","0.0868","","","","","","1.062","","","","has coordinates","283485","2023-05-05","03:26:17",""
"7159206","6.061","0.002","12.023","0.004","21.699","0.007","90","","90","","90","","1581.2","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(tert-butyl (S,E)-(5-hydroxy-1-phenylpent-3-en-2-yl)carbamate)","(tert-butyl (S,E)-(5-hydroxy-1-phenylpent-3-en-2-yl)carbamate)","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.1372","0.0865","","","0.0657","0.0679","","","","","","1.94","","","","has coordinates","283485","2023-05-05","03:27:01",""
"7159207","6.5455","0.0012","9.445","0.002","19.264","0.004","90","","90","","90","","1190.9","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(tert-butyl (S,E)-(5-hydroxypent-3-en-2-yl)carbamate)","(tert-butyl (S,E)-(5-hydroxypent-3-en-2-yl)carbamate)","","- C10 H19 N O3 -","- C10 H19 N O3 -","- C40 H76 N4 O12 -","4","1","","Nalawade, Sachin A.; Singh, Manjeet; Puneeth Kumar, DRGKoppalu R; Dey, Sanjit; Gopi, Hosahudya N.","Stereoselective synthesis of backbone extended π-conjugated amino esters.","Organic & biomolecular chemistry","2023","21","12","2586","2595","10.1039/d3ob00090g","","","0.71073","MoKα","","0.0412","0.0352","","","0.0781","0.0807","","","","","","0.995","","","","has coordinates","283485","2023-05-05","03:27:03",""
"7159212","6.671","0.0002","16.5087","0.0005","18.4122","0.0005","90","","90","","90","","2027.73","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glucominiotone B","","","- C19 H22 O9 -","- C19 H22 O9 -","- C76 H88 O36 -","4","1","","Yang, Sui-Qun; Song, Qi; Li, Xiao-Ming; Li, Xin; Li, Hong-Lei; Meng, Ling-Hong; Wang, Bin-Gui","Antimicrobial polyketides and sesquiterpene lactones from the deep-sea cold-seep-derived fungus <i>Talaromyces minioluteus</i> CS-113 triggered by the histone deacetylase inhibitor SAHA.","Organic & biomolecular chemistry","2023","21","12","2575","2585","10.1039/d3ob00058c","","","1.54178","CuKα","","0.0584","0.0557","","","0.1428","0.1449","","","","","","1.073","","","","has coordinates","283481","2023-05-05","03:25:18",""
"7159213","10.147","0.0003","12.3817","0.0003","18.7861","0.0005","90","","90","","90","","2360.23","0.11","293","2","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","miniluteumide E","1","","- C22 H35 N O8 -","- C22 H35 N O8 -","- C88 H140 N4 O32 -","4","1","","Yang, Sui-Qun; Song, Qi; Li, Xiao-Ming; Li, Xin; Li, Hong-Lei; Meng, Ling-Hong; Wang, Bin-Gui","Antimicrobial polyketides and sesquiterpene lactones from the deep-sea cold-seep-derived fungus <i>Talaromyces minioluteus</i> CS-113 triggered by the histone deacetylase inhibitor SAHA.","Organic & biomolecular chemistry","2023","21","12","2575","2585","10.1039/d3ob00058c","","x-ray","1.54184","CuKα","","0.0497","0.0417","","","0.1004","0.1086","","","","","","1.069","","","","has coordinates","283481","2023-05-05","03:25:19",""
"7159242","9.2573","0.0002","17.7086","0.0004","17.8309","0.0004","90","","90","","90","","2923.09","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 N O2 P -","- C34 H34 N O2 P -","- C136 H136 N4 O8 P4 -","4","1","","Mino, Takashi; Takaya, Kaho; Koki, Kaito; Akimoto, Natsume; Yoshida, Yasushi; Kasashima, Yoshio; Sakamoto, Masami","Axially chiral <i>N</i>-alkyl-<i>N</i>-cinnamoyl amide type P,olefin ligands for Pd-catalyzed reactions.","Organic & biomolecular chemistry","2023","21","13","2775","2778","10.1039/d3ob00224a","","","1.54178","CuKα","","0.0432","0.0418","","","0.1079","0.1117","","","","","","0.822","","","","has coordinates","283452","2023-05-05","03:17:37",""
"7159257","5.37551","0.00009","7.85484","0.00012","56.3649","0.0009","90","","90","","90","","2379.94","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H62 O10 P2 -","- C50 H62 O10 P2 -","- C100 H124 O20 P4 -","2","0.5","","Huang, Zhuo; Liu, Xu-Teng; Cui, Ranran; Zhang, Qing-Wei","Nickel-catalysed enantioselective reaction of secondary phosphine oxides and activated vinylcyclopropanes.","Organic & biomolecular chemistry","2023","21","15","3096","3100","10.1039/d3ob00389b","","x-ray","1.54184","CuKα","","0.0988","0.0953","","","0.2373","0.2409","","","","","","1.094","","","","has coordinates","283469","2023-05-05","03:21:55",""
"7159260","12.0118","0.0001","12.1812","0.0001","13.6128","0.0001","90","","90","","90","","1991.8","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 -","- C26 H26 N2 -","- C104 H104 N8 -","4","1","","Filatova, Ekaterina A.; Ermolenko, Eugeny A.; Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.","Synthesis, conformational stability and molecular structure of 4-aryl- and 4,5-diaryl-1,8-bis(dimethylamino)naphthalenes.","Organic & biomolecular chemistry","2023","21","16","3388","3401","10.1039/d3ob00286a","","x-ray","1.54184","CuKα","","0.0277","0.027","","","0.0701","0.0716","","","","","","1.074","","","","has coordinates","283439","2023-05-05","03:12:05",""
"7159268","7.4375","0.0001","14.8172","0.0002","21.9398","0.0003","90","","90","","90","","2417.83","0.06","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H19 F2 N O -","- C30 H20 F2 N2 O -","- C120 H80 F8 N8 O4 -","4","1","","Beriša, Arben; Gredičak, Matija","Chiral phosphoric acid-catalyzed Friedel-Crafts reaction of 2,5-disubstituted and 2-monosubstituted pyrroles with isoindolinone-derived ketimines.","Organic & biomolecular chemistry","2023","21","16","3381","3387","10.1039/d3ob00326d","","","1.54184","CuKα","","0.0348","0.0324","","","0.0882","0.0902","","","","","","1.051","","","","has coordinates","283442","2023-05-05","03:13:58",""
"7159270","9.6485","0.0003","13.5819","0.0004","22.0979","0.0006","90","","90","","90","","2895.82","0.15","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H33 Br N2 O3 S -","- C32 H33 Br N2 O3 S -","- C128 H132 Br4 N8 O12 S4 -","4","1","","Zhang, Tao; Ji, Danqing; Sun, Jiangtao","Catalytic aminomethylative etherification of <i>N</i>-allenamides with <i>N</i>,<i>O</i>-acetals enabled by Lewis/Brønsted acid catalysis.","Organic & biomolecular chemistry","2023","21","16","3340","3344","10.1039/d3ob00363a","","","1.34139","GaKα","","0.0273","0.0262","","","0.0684","0.0694","","","","","","1.045","","","","has coordinates","283443","2023-05-05","03:14:13",""
"7159275","4.9665","0.0001","11.8329","0.0002","27.6027","0.0005","90","","90","","90","","1622.16","0.05","100","","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","MN-12R","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Falkenburg, Ruben; Notheis, Maximilian J.; Schnakenburg, Gregor; von Krbek, Larissa K. S.","Twelve-membered ring photoswitches with excellent <i>Z</i> → <i>E</i> conversion under ambient light.","Organic & biomolecular chemistry","2023","21","24","4993","4998","10.1039/d3ob00413a","","","1.54186","CuKα","","0.0251","0.0249","","","0.0641","0.0643","","","","","","1.05","","","","has coordinates","284953","2023-07-05","10:48:09",""
"7159278","6.031","0.0012","9.2468","0.0018","28.59","0.006","90","","90","","90","","1594.4","0.6","173","2","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O6 S2 -","- C12 H21 N O6 S2 -","- C48 H84 N4 O24 S8 -","4","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-<i>allo</i>-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","","0.71073","MoKα","","0.0381","0.0371","","","0.0939","0.095","","","","","","1.088","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159279","8.5031","0.0001","11.0312","0.0001","11.5319","0.0001","90","","90","","90","","1081.69","0.019","170","0.1","170","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O5 -","- C10 H15 N O5 -","- C40 H60 N4 O20 -","4","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-<i>allo</i>-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","1.54178","CuKα","","0.0292","0.028","","","0.0754","0.0766","","","","","","1.083","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159281","6.0362","0.0001","11.5263","0.0003","12.3169","0.0003","90","","90","","90","","856.95","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C24 H56 Cl4 N4 O16 -","4","1","","Yang, Lin-Feng; Zhang, Ming; Shimadate, Yuna; Kato, Atsushi; Hou, Tian-Yang Liu; Li, Yi-Xian; Jia, Yue-Mei; Fleet, George W. J.; Yu, Chu-Yi","Design and synthesis of iso-<i>allo</i>-DNJ and L-isoDALDP derivatives: pursuit of potent and selective inhibitors of α-glucosidase.","Organic & biomolecular chemistry","2023","21","16","3453","3464","10.1039/d3ob00404j","","x-ray","0.71073","MoKα","","0.0204","0.0199","","","0.0514","0.0515","","","","","","1.08","","","","has coordinates","283445","2023-05-05","03:14:46",""
"7159289","6.191","0.0007","14.7184","0.0016","22.774","0.003","90","","90","","90","","2075.2","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","","Singh, Manjeet; Kumar, Manish; Nalawade, Sachin A.; Puneeth Kumar, DRGKoppalu R; Gopi, Hosahudya N.","Cyclization of <i>N</i>-Boc-(<i>E</i>)-α,β-unsaturated γ-amino acid active esters into <i>N</i>-Boc-(<i>Z</i>)-α,β-unsaturated γ-lactams through <i>E</i> → <i>Z</i> isomerization.","Organic & biomolecular chemistry","2023","21","18","3766","3769","10.1039/d3ob00127j","","","1.54178","CuKα","","0.055","0.0408","","","0.0922","0.0993","","","","","","1.037","","","","has coordinates","284327","2023-06-05","04:56:56",""
"7159303","5.4791","0.0001","14.148","0.0004","27.7407","0.0008","90","","90","","90","","2150.41","0.1","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4b-pCl","","- C20 H18 Br2 Cl2 N2 O4 -","- C20 H18 Br2 Cl2 N2 O4 -","- C80 H72 Br8 Cl8 N8 O16 -","4","1","","Nishiyori, Ryuichi; Mori, Taiki; Shirakawa, Seiji","Catalytic asymmetric CO<sub>2</sub> utilization reaction for the enantioselective synthesis of chiral 2-oxazolidinones.","Organic & biomolecular chemistry","2023","21","19","4002","4006","10.1039/d3ob00555k","","x-ray","1.54184","CuKα","","0.0276","0.0264","","","0.0684","0.0693","","","","","","1.036","","","","has coordinates","284314","2023-06-05","04:52:11",""
"7159319","7.2485","0.0002","10.0179","0.0003","22.3054","0.0007","90","","90","","90","","1619.7","0.08","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C76 H84 Cl4 N8 O4 -","4","1","","Tammisetti, Raviramanujayya; Chaudhari, Prakash D.; Hong, Bor-Cherng; Chien, Su-Ying","From citronellal to iridoids: asymmetric synthesis of iridoids and their analogues <i>via</i> organocatalytic intramolecular Michael reactions.","Organic & biomolecular chemistry","2023","21","20","4200","4205","10.1039/d3ob00439b","","","0.71073","MoKα","","0.0519","0.042","","","0.089","0.0975","","","","","","1.122","","","","has coordinates","284324","2023-06-05","04:55:41",""
"7159333","8.95724","0.00019","9.43219","0.00018","22.4623","0.0004","90","","90","","90","","1897.76","0.06","169.99","0.1","169.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0442","0.0388","","","0.1006","0.103","","","","","","1.094","","","","has coordinates","284320","2023-06-05","04:52:55",""
"7159334","7.75334","0.00011","12.14604","0.00019","19.62","0.0003","90","","90","","90","","1847.66","0.05","199.99","0.1","199.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Huang, Jia-Hua; Lv, Jian-Ming; Xie, Yan-Feng; Zhao, Huan; Xiao, Liang-Yan; Dai, Ping; Qin, Sheng-Ying; Hu, Dan; Gao, Hao; Yao, Xin-Sheng","Isolation of new compounds related to xyloketals biosynthesis implies an alternative pathway for furan-fused-chromene formation.","Organic & biomolecular chemistry","2023","21","20","4309","4318","10.1039/d3ob00426k","","x-ray","1.54184","CuKα","","0.0417","0.0406","","","0.1002","0.1012","","","","","","1.089","","","","has coordinates","284320","2023-06-05","04:52:55",""
"7159346","10.1902","0.00011","11.29931","0.00013","21.3624","0.0003","90","","90","","90","","2459.71","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br N2 O4 -","- C27 H23 Br N2 O4 -","- C108 H92 Br4 N8 O16 -","4","1","","Li, Kuiliang; Gao, Siyu; Zha, Zhenggen; Wang, Zhiyong","Construction of chiral <i>N</i>,<i>O</i>-hemiaminals <i>via</i> a copper-catalyzed enantioselective Michael/<i>N</i>-hemiacetalization cascade reaction.","Organic & biomolecular chemistry","2023","21","21","4404","4408","10.1039/d3ob00542a","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0816","0.082","","","","","","1.074","","","","has coordinates","284333","2023-06-05","04:57:34",""
"7159347","8.4782","0.0013","14.044","0.002","14.818","0.002","90","","90","","90","","1764.3","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br2 N O2 -","- C18 H17 Br2 N O2 -","- C72 H68 Br8 N4 O8 -","4","1","","Zhang, Huaxin; Xiong, Yongge; Bai, Jiang; Yang, Ruchun; Song, Xian-Rong; Xiao, Qiang","Synthesis of <i>gem</i>-dibromo 1,3-oxazines by NBS-mediated electrophilic cyclization of propargylic amides.","Organic & biomolecular chemistry","2023","21","22","4578","4582","10.1039/d3ob00623a","","","0.71073","MoKα","","0.0424","0.0302","","","0.0599","0.0629","","","","","","0.919","","","","has coordinates","284961","2023-07-05","10:51:35",""
"7159385","6.7321","0.0002","9.8995","0.0003","41.9029","0.0012","90","","90","","90","","2792.59","0.14","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O7 -","- C32 H40 O7 -","- C128 H160 O28 -","4","1","","Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.","Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","24","5014","5020","10.1039/d3ob00735a","","","1.54178","CuKα","","0.0622","0.0505","","","0.1025","0.1059","","","","","","1.199","","","","has coordinates","284960","2023-07-05","10:50:47",""
"7159386","6.4651","0.0002","9.9755","0.0003","41.8034","0.0012","90","","90","","90","","2696.01","0.14","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 O7 -","- C31 H38 O7 -","- C124 H152 O28 -","4","1","","Dickinson, Cody F.; Yap, Glenn P. A.; Tius, Marcus A.","Anion-accelerated asymmetric Nazarov cyclization: access to vicinal all-carbon quaternary stereocenters.","Organic & biomolecular chemistry","2023","21","24","5014","5020","10.1039/d3ob00735a","","","1.54178","CuKα","","0.03","0.0285","","","0.0694","0.0704","","","","","","1.09","","","","has coordinates","284960","2023-07-05","10:50:51",""
"7159391","8.5856","0.0001","12.1115","0.0001","21.1498","0.0001","90","","90","","90","","2199.25","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 N3 O6 S -","- C22 H21 N3 O6 S -","- C88 H84 N12 O24 S4 -","4","1","","Lin, Xing; Zhang, Dajun; Li, Jing; Zhang, Lei","Catalyst- and solvent-free regioselective ring opening of aziridines with amines: application in the gram-scale synthesis of the α,β-diamino propionic derivative, aspergillomarasmine A.","Organic & biomolecular chemistry","2023","21","24","4977","4981","10.1039/d3ob00722g","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0682","0.0683","","","","","","1.041","","","","has coordinates","284958","2023-07-05","10:49:00",""
"7159420","5.8957","0.0008","19.877","0.003","20.288","0.003","90","","90","","90","","2377.5","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 N O2 S2 -","- C22 H25 N O2 S2 -","- C88 H100 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.1253","0.1133","","","0.2653","0.2722","","","","","","1.136","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159422","11.215","0.0012","29.247","0.003","5.8198","0.0007","90","","90","","90","","1908.9","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 N O2 S2 -","- C18 H23 N O2 S2 -","- C72 H92 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0857","0.0788","","","0.1756","0.1787","","","","","","1.172","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159423","6.0077","0.0003","15.196","0.0007","19.967","0.0012","90","","90","","90","","1822.85","0.17","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 N O2 S2 -","- C16 H27 N O2 S2 -","- C64 H108 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0494","0.0354","","","0.0772","0.0865","","","","","","1.106","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159428","9.7251","0.0003","11.3374","0.0003","14.2512","0.0004","90","","90","","90","","1571.3","0.08","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl2 N O Pd S -","- C12 H19 Cl2 N O Pd S -","- C48 H76 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0184","0.0169","","","0.0392","0.0403","","","","","","1.104","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159429","6.309","0.005","13.919","0.01","20.755","0.014","90","","90","","90","","1823","2","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl2 N O Pd S -","- C18 H17 Cl2 N O Pd S -","- C72 H68 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.1173","0.094","","","0.2358","0.2475","","","","","","1.065","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159430","8.554","0.0004","10.1169","0.0004","16.2154","0.0007","90","","90","","90","","1403.28","0.11","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H21 Cl2 N O Pd S -","- C9 H21 Cl2 N O Pd S -","- C36 H84 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.016","0.0151","","","0.0357","0.0362","","","","","","1.08","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159431","8.1116","0.0005","12.0151","0.0007","14.6744","0.0007","90","","90","","90","","1430.19","0.14","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 Cl2 N O Pd S -","- C11 H17 Cl2 N O Pd S -","- C44 H68 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0301","0.0261","","","0.0472","0.0484","","","","","","1.073","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159432","5.8774","0.0005","12.2061","0.0009","24.8164","0.0016","90","","90","","90","","1780.3","0.2","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Cl2 N O Pd S -","- C16 H21 Cl2 N O Pd S -","- C64 H84 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0482","0.0408","","","0.0951","0.1009","","","","","","1.053","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159433","6.0101","0.0003","14.6331","0.0006","19.1993","0.0008","90","","90","","90","","1688.51","0.13","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H29 N O2 S2 -","- C13 H29 N O2 S2 -","- C52 H116 N4 O8 S8 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0489","0.0352","","","0.0726","0.0804","","","","","","1.103","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159436","6.148","0.002","13.389","0.004","20.42","0.006","90","","90","","90","","1680.9","0.9","193","2","193","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Cl2 N O Pd S -","- C14 H15 Cl2 N O Pd S -","- C56 H60 Cl8 N4 O4 Pd4 S4 -","4","1","","Moreno-Rodriguez, Nazaret; Borrego, L. Gabriel; Recio, Rocío; Valdivia, Victoria; Nicasio, M. Carmen; Álvarez, Eleuterio; Khiar, Noureddine; Fernández, Inmaculada","Synthesis and characterization of enantiopure chiral NH<sub>2</sub>/SO palladium complexes.","Organic & biomolecular chemistry","2023","21","28","5827","5839","10.1039/d3ob00816a","","","0.71073","MoKα","","0.0836","0.0578","","","0.1222","0.1292","","","","","","1.091","","","","has coordinates","285503","2023-08-05","09:29:25",""
"7159438","8.1476","0.0005","9.0775","0.0006","27.2326","0.0017","90","","90","","90","","2014.1","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 I2 O3 -","- C23 H16 I2 O3 -","- C92 H64 I8 O12 -","4","1","","Kumari, Akanksha; Jain, Anshul; Shukla, Khyati; Patra, Ranjan; Rana, Nirmal K.","A reusable polymer anchored pyridine mediated formal [4 + 1] annulation reaction for the diastereoselective synthesis of 2,3-dihydrobenzofurans.","Organic & biomolecular chemistry","2023","21","27","5542","5546","10.1039/d3ob00804e","","","0.71073","MoKα","","0.0216","0.019","","","0.0389","0.0403","","","","","","1.056","","","","has coordinates","285510","2023-08-05","09:30:59",""
"7159444","7.817","0.003","12.371","0.005","19.295","0.007","90","","90","","90","","1865.9","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 N2 O2 S -","- C22 H18 N2 O2 S -","- C88 H72 N8 O8 S4 -","4","1","","Li, Jiani; Feng, Jing; Chen, Tao; Xu, Ze-Feng; Li, Chuan-Ying","Synthesis of 3-aminoquinolines from α-imino rhodium carbenes and 2-aminobenzaldehydes.","Organic & biomolecular chemistry","2023","21","29","5935","5938","10.1039/d3ob00843f","","","0.71073","MoKα","","0.0438","0.0373","","","0.0937","0.0981","","","","","","1.031","","","","has coordinates","285499","2023-08-05","09:28:38",""
"7159447","9.5218","0.0011","10.047","0.0012","18.931","0.003","90","","90","","90","","1811","0.4","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br N O3 -","- C20 H16 Br N O3 -","- C80 H64 Br4 N4 O12 -","4","1","","Nagesh, Kommu; Manda, Jagadish; Sridhar, B.; Subba Reddy, B. V.","Rh(III)-catalyzed [3 + 2] spiroannulation of 2,3-dihydro-1,4-benzoxazines with 4-hydroxy-2-alkynoates through <i>ortho</i>-C-H bond functionalization.","Organic & biomolecular chemistry","2023","21","30","6169","6173","10.1039/d3ob00786c","","","0.71073","MoKα","","0.0338","0.028","","","0.0707","0.0726","","","","","","1.054","","","","has coordinates","285520","2023-08-05","09:32:47",""
"7159473","7.3664","0.0003","8.4028","0.0003","20.5541","0.001","90","","90","","90","","1272.27","0.09","120","2","120","2","","","","","","","synthesized by the authors","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Fadeev, Alexander A.; Kotora, Martin","Catalytic <i>vs.</i> uncatalyzed [2 + 2] photocycloadditions of quinones with alkynes.","Organic & biomolecular chemistry","2023","21","30","6174","6179","10.1039/d3ob00636k","","","0.71073","MoKα","","0.0314","0.0311","","","0.0885","0.0888","","","","","","1.082","","","","has coordinates","285523","2023-08-05","09:33:08",""
"7159475","9.466","0.004","16.073","0.006","26.339","0.009","90","","90","","90","","4007","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H44 N O7 P -","- C47 H44 N O7 P -","- C188 H176 N4 O28 P4 -","4","1","","Gbubele, Joseph D.; Misiaszek, Tomasz; Siczek, Miłosz; Olszewski, Tomasz K.","α-Amido sulphones as useful intermediates in the preparation of <i>C</i>-chiral α-aminophosphonates and α-aminophosphonic acids.","Organic & biomolecular chemistry","2023","21","30","6180","6191","10.1039/d3ob00924f","","x-ray","1.54184","CuKα","","0.0634","0.0527","","","0.1346","0.1463","","","","","","1.058","","","","has coordinates","285525","2023-08-05","09:33:22",""
"7159480","11.4265","0.0002","14.3062","0.0003","27.604","0.0005","90","","90","","90","","4512.42","0.15","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O2 -","- C27 H40 O2 -","- C216 H320 O16 -","8","2","","Taguchi, Haruki; Kawaguchi, Mayuko; Nagamitsu, Tohru; Ohtawa, Masaki","Concise syntheses of (-)-habiterpenol and (+)-2,3-<i>epi</i>-habiterpenol <i>via</i> redox radical cyclization of alkenylsilane.","Organic & biomolecular chemistry","2023","21","30","6129","6133","10.1039/d3ob01062g","","","1.54187","CuKα","","0.1002","0.0594","","","0.1282","0.1519","","","","","","1.037","","","","has coordinates","285522","2023-08-05","09:33:02",""
"7159482","8.98207","0.00019","13.3543","0.0003","29.0314","0.0005","90","","90","","90","","3482.29","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 F N2 O5 -","- C18 H15 F N2 O5 -","- C144 H120 F8 N16 O40 -","8","2","","Wu, Ruoran; Chen, Peng; Chai, Yu; Zhou, Junyu; Ou, Jianhua; Min, Yan; Wang, Haoting; Liang, Guojuan; Zhang, Dong; Zhou, Jing; Zhou, Hui","High diastereo- and enantioselective Michael addition of 3-acetoxy-2-oxindoles with nitroalkenes catalyzed by nickel/PyBisulidine.","Organic & biomolecular chemistry","2023","21","30","6225","6229","10.1039/d3ob01024d","","x-ray","1.54184","CuKα","","0.0587","0.0473","","","0.1165","0.1288","","","","","","1.043","","","","has coordinates","285519","2023-08-05","09:32:41",""
"7159493","6.1473","0.0001","7.4004","0.0001","24.669","0.0003","90","","90","","90","","1122.25","0.03","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N -","- C16 H13 N -","- C64 H52 N4 -","4","1","","Lin, Tzu-Chun; Chan, Chieh-Kai; Chung, Yi-Hsiu; Wang, Cheng-Chung","Environmentally friendly Nafion-catalyzed synthesis of 3-substituted isoquinoline by using hexamethyldisilazane as a nitrogen source under microwave irradiation.","Organic & biomolecular chemistry","2023","21","36","7316","7326","10.1039/d3ob01032e","","","1.54178","CuKα","","0.0266","0.026","","","0.0664","0.0666","","","","","","1.04","","","","has coordinates","286793","2023-10-06","00:46:37",""
"7159503","9.2466","0.0007","11.7371","0.0008","33.379","0.003","90","","90","","90","","3622.6","0.5","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H56 N2 O4 -","- C42 H56 N2 O4 -","- C168 H224 N8 O16 -","4","1","","Borade, Somnath Arjun; Naharwal, Sushma; Bhambri, Himanshi; Mandal, Sanjay K.; Bajaj, Kiran; Chitkara, Deepak; Sakhuja, Rajeev","Synthesis of modified bile acids <i>via</i> palladium-catalyzed C(sp<sup>3</sup>)-H (hetero)arylation.","Organic & biomolecular chemistry","2023","21","33","6719","6729","10.1039/d3ob00916e","","","0.71073","MoKα","","0.0701","0.0446","","","0.0924","0.1021","","","","","","1.024","","","","has coordinates","286184","2023-09-05","20:21:46",""
"7159520","11.754","0.0004","13.704","0.0004","18.2969","0.0005","90","","90","","90","","2947.21","0.15","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 F3 N2 O2 -","- C6 H5 F3 N2 O2 -","- C96 H80 F48 N32 O32 -","16","4","","Coufal, Radek; Tošner, Zdeněk; Drahoňovský, Dušan; Vohlídal, Jiří","Hemiacetal-based dynamic systems: a new mechanistic insight.","Organic & biomolecular chemistry","2023","21","34","6956","6968","10.1039/d3ob00668a","","","0.71073","MoKα","","0.0357","0.0304","","","0.0701","0.0728","","","","","","1.023","","","","has coordinates","286196","2023-09-05","20:23:49",""
"7159522","6.22994","0.00011","10.4767","0.00016","24.3448","0.0004","90","","90","","90","","1588.97","0.05","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Wei, Jiangchun; Li, Zhiyue; Shan, Min; Wu, Fengzhi; Li, Limin; Ma, Yucui; Wu, Junhong; Li, Xinping; Liu, Yaqian; Hu, Zhengxi; Zhang, Yonghui; Wu, Zhengzhi","Discovery of two <i>ent</i>-atisane diterpenoid lactones with AChE inhibitory activity from the roots of <i>Euphorbia fischeriana</i>.","Organic & biomolecular chemistry","2023","21","34","6949","6955","10.1039/d3ob01007d","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0739","0.0744","","","","","","1.089","","","","has coordinates","286193","2023-09-05","20:23:27",""
"7159525","5.4848","0.0003","11.8755","0.0007","32.4602","0.0019","90","","90","","90","","2114.3","0.2","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","II_SR_XRD_03_RT_2","","- C17 H20 F3 N O3 S -","- C17 H20 F3 N O3 S -","- C68 H80 F12 N4 O12 S4 -","4","1","","Racochote, Sasirome; Naweephattana, Phiphob; Surawatanawong, Panida; Kuhakarn, Chutima; Leowanawat, Pawaret; Reutrakul, Vichai; Soorukram, Darunee","Base-catalyzed diastereodivergent thia-Michael addition to chiral β-trifluoromethyl-α,β-unsaturated <i>N</i>-acylated oxazolidin-2-ones.","Organic & biomolecular chemistry","2023","21","35","7180","7187","10.1039/d3ob00999h","","x-ray","1.54178","CuKα","K-L~3~","0.0793","0.0726","","","0.2032","0.2141","","","","","","1.091","","","","has coordinates","286796","2023-10-06","00:47:09",""
"7159527","4.7704","0.0002","9.7654","0.0004","26.4117","0.0012","90","","90","","90","","1230.39","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 O -","- C14 H14 N4 O -","- C56 H56 N16 O4 -","4","1","","Pike, Sarah J.; Telford, Richard; Male, Louise","Reversible conformational switching of a photo-responsive <i>ortho</i>-azobenzene/2,6-pyridyldicarboxamide heterofoldamer.","Organic & biomolecular chemistry","2023","21","38","7717","7723","10.1039/d3ob01137b","","x-ray","1.54184","CuKα","","0.0403","0.0388","","","0.0969","0.0982","","","","","","1.061","","","","has coordinates","286809","2023-10-06","00:48:53",""
"7159543","9.1768","0.0003","9.47","0.0003","21.5491","0.0008","90","","90","","90","","1872.71","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Komogortsev, Andrey N.; Lichitskii, Boris V.; Melekhina, Valeriya G.","1,1'-Carbonyldiimidazole-mediated transformation of allomaltol containing hydrazides into substituted 3-acetyltetronic acids.","Organic & biomolecular chemistry","2023","21","35","7224","7230","10.1039/d3ob01136d","","","0.71073","MoKα","","0.0367","0.0332","","","0.086","0.0889","","","","","","1.062","","","","has coordinates","286795","2023-10-06","00:47:01",""
"7159576","6.1315","0.0004","10.338","0.0007","23.2076","0.0016","90","","90","","90","","1471.07","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C56 H64 N8 O24 -","4","1","","Teo, Hong Kang; Sae-Lao, Patcharaporn; Bates, Roderick W.","Confirmation of the structure of (±)-preisomide by total synthesis.","Organic & biomolecular chemistry","2023","21","39","7954","7959","10.1039/d3ob01250f","","","1.54178","CuKα","","0.032","0.0315","","","0.0889","0.0892","","","","","","1.534","","","","has coordinates","287416","2023-11-06","08:22:16",""
"7159590","7.2587","0.0002","11.3133","0.0003","15.3314","0.0004","90","","90","","90","","1259.01","0.06","173","2","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl N O3 -","- C14 H14 Cl N O3 -","- C56 H56 Cl4 N4 O12 -","4","1","","Lv, Xiao-Xiong; Liu, Ning; Chen, Fei; Zhang, Hao; Du, Zhi-Hong; Wang, Pei; Yuan, Meng; Da, Chao Shan","Highly asymmetric aldol reaction of isatins and ketones catalyzed by chiral bifunctional primary-amine organocatalyst on water.","Organic & biomolecular chemistry","2023","21","43","8695","8701","10.1039/d3ob01227a","","","1.54178","CuKα","","0.0307","0.0298","","","0.0761","0.0769","","","","","","1.086","","","","has coordinates","288873","2024-01-06","09:29:11",""
"7159595","8.0568","0.0009","10.5478","0.0011","23.068","0.003","90","","90","","90","","1960.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17.6 H12 Br0.8 N1.6 O4 -","- C17.6 H12 Br0.8 N1.6 O4 -","- C88 H60 Br4 N8 O20 -","5","1.25","","Bhatta, Suman; Senapati, Bidyut Kumar; Patra, Sanjib Kumar; Nanda, Samik","A sequential Friedländer and anionic benzannulation strategy for the regiodefined assembly of unsymmetrical acridines.","Organic & biomolecular chemistry","2023","21","43","8727","8738","10.1039/d3ob01470c","","","0.71073","MoKα","","0.0824","0.0604","","","0.1451","0.1592","","","","","","1.044","","","","has coordinates","288870","2024-01-06","09:26:58",""
"7159603","6.45921","0.00012","15.75","0.0003","21.1734","0.0004","90","","90","","90","","2154.02","0.07","113","1","113","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N6 O2 -","- C26 H26 N6 O2 -","- C104 H104 N24 O8 -","4","1","","Lee, Stephanie; Söhnel, Tilo; Sperry, Jonathan","Support studies toward the hicksoane alkaloids reveal cascade reactions of a (tryptophanamido)methylglycinate.","Organic & biomolecular chemistry","2023","21","43","8708","8715","10.1039/d3ob01596c","","x-ray","1.54184","CuKα","","0.0395","0.0365","","","0.0914","0.0926","","","","","","1.078","","","","has coordinates","288868","2024-01-06","09:25:39",""
"7159610","9.2344","0.0005","16.0149","0.0009","17.8661","0.0009","90","","90","","90","","2642.2","0.2","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O6 -","- C30 H50 O6 -","- C120 H200 O24 -","4","1","","He, Long; Zhang, Wenting; Zhang, Xiaocheng; Wu, Xiaohui; Han, Yimeng; Yan, Jiahang; Xie, Weiqing","Gram-scale synthesis of alstoscholarinoid B <i>via</i> a bio-inspired strategy.","Organic & biomolecular chemistry","2023","21","47","9346","9355","10.1039/d3ob01625k","","","1.34139","GaKα","","0.0582","0.0456","","","0.1101","0.1162","","","","","","1.062","","","","has coordinates","288889","2024-01-06","09:40:02",""
"7159611","12.7887","0.001","13.3649","0.001","53.155","0.004","90","","90","","90","","9085.2","1.2","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C360 H576 O60 -","12","3","","He, Long; Zhang, Wenting; Zhang, Xiaocheng; Wu, Xiaohui; Han, Yimeng; Yan, Jiahang; Xie, Weiqing","Gram-scale synthesis of alstoscholarinoid B <i>via</i> a bio-inspired strategy.","Organic & biomolecular chemistry","2023","21","47","9346","9355","10.1039/d3ob01625k","","","1.34139","GaKα","","0.0765","0.0657","","","0.1791","0.1865","","","","","","1.038","","","","has coordinates","288889","2024-01-06","09:40:11",""
"7159617","7.7726","0.0004","11.5067","0.0006","22.6755","0.001","90","","90","","90","","2028.03","0.17","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F2 N2 O4 -","- C23 H26 F2 N2 O4 -","- C92 H104 F8 N8 O16 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0851","0.0673","","","0.1487","0.1573","","","","","","1.074","","","","has coordinates,has disorder","288901","2024-01-06","09:46:48",""
"7159618","7.7954","0.0002","12.3806","0.0002","23.4227","0.0005","90","","90","","90","","2260.57","0.08","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 F2 N O5 -","- C25 H33 F2 N O5 -","- C100 H132 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0346","0.0333","","","0.0884","0.0894","","","","","","1.061","","","","has coordinates","288901","2024-01-06","09:47:02",""
"7159619","9.3792","0.0002","12.5351","0.0002","20.43","0.0003","90","","90","","90","","2401.94","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 F2 N O5 -","- C27 H39 F2 N O5 -","- C108 H156 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0436","0.0391","","","0.0976","0.1007","","","","","","1.064","","","","has coordinates,has disorder","288901","2024-01-06","09:47:11",""
"7159620","9.1217","0.0003","11.2737","0.0003","19.5547","0.0005","90","","90","","90","","2010.91","0.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 F3 N O4 -","- C23 H24 F3 N O4 -","- C92 H96 F12 N4 O16 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.04","0.0321","","","0.0712","0.0742","","","","","","1.047","","","","has coordinates","288901","2024-01-06","09:47:20",""
"7159621","9.5587","0.0009","10.1828","0.0008","24.801","0.002","90","","90","","90","","2414","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 F2 N O6 -","- C26 H39 F2 N O6 -","- C104 H156 F8 N4 O24 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.1132","0.0982","","","0.2223","0.2272","","","","","","1.142","","","","has coordinates,has disorder","288901","2024-01-06","09:47:33",""
"7159623","9.4825","0.0003","12.4436","0.0004","19.8848","0.0005","90","","90","","90","","2346.34","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 F2 N O5 -","- C26 H37 F2 N O5 -","- C104 H148 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0484","0.0382","","","0.0827","0.0888","","","","","","1.02","","","","has coordinates","288901","2024-01-06","09:47:53",""
"7159624","7.888","0.005","12.342","0.008","23.321","0.015","90","","90","","90","","2270","3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 F2 N O5 -","- C25 H35 F2 N O5 -","- C100 H140 F8 N4 O20 -","4","1","","Zelentsova, Maria V.; Sandulenko, Irina V.; Ambartsumyan, Asmik A.; Danshina, Anastasia A.; Moiseev, Sergey K.","C(21)-Di- and monofluorinated scaffold for thevinol/orvinol-based opioid receptor ligands.","Organic & biomolecular chemistry","2023","21","45","9091","9100","10.1039/d3ob01577g","","","0.71073","MoKα","","0.0511","0.0412","","","0.0964","0.1019","","","","","","1.017","","","","has coordinates","288901","2024-01-06","09:47:57",""
"7159637","7.6935","0.0002","9.733","0.0002","33.1956","0.0006","90","","90","","90","","2485.71","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C124 H96 O16 -","4","1","","Liu, Li-Xia; Huang, Wen-Jun; Yu, Chang-Bin; Zhou, Yong-Gui","Palladium-catalyzed stereoselective construction of chiral allenes bearing nonadjacent axial and two central chirality.","Organic & biomolecular chemistry","2023","21","42","8516","8520","10.1039/d3ob01315d","","","1.54178","CuKα","","0.0729","0.0613","","","0.1705","0.1899","","","","","","1.027","","","","has coordinates","287281","2023-11-05","12:51:13",""
"7159642","6.2757","0.0004","10.0567","0.0008","18.9671","0.0016","90","","90","","90","","1197.07","0.16","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H19 N O2 S -","- C9 H19 N O2 S -","- C36 H76 N4 O8 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.1131","0.0485","","","0.1051","0.1298","","","","","","1.002","","","","has coordinates,has disorder","288879","2024-01-06","09:32:27",""
"7159647","6.5356","0.0002","9.826","0.0003","20.5497","0.0006","90","","90","","90","","1319.68","0.07","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N O4 S -","- C10 H17 N O4 S -","- C40 H68 N4 O16 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.0663","0.0482","","","0.1226","0.1328","","","","","","1.019","","","","has coordinates","288879","2024-01-06","09:33:12",""
"7159648","5.9251","0.0004","11.4025","0.0008","18.0255","0.0014","90","","90","","90","","1217.82","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N O2 S -","- C10 H21 N O2 S -","- C40 H84 N4 O8 S4 -","4","1","","Kamińska, Karolina; Iwan, Dominika; Trojnar, Jakub; Daszkiewicz, Marek; Rode, Joanna E.; Wojaczyński, Jacek; Wojaczyńska, Elżbieta","Rearrangement of thiazolidine derivatives - a synthesis of a chiral fused oxathiane-γ-lactam bicyclic system.","Organic & biomolecular chemistry","2023","21","46","9182","9191","10.1039/d3ob01454a","","","0.71073","MoKα","","0.1338","0.054","","","0.1202","0.1385","","","","","","0.832","","","","has coordinates","288879","2024-01-06","09:33:20",""
"7159657","7.2485","0.0002","10.0179","0.0003","22.3054","0.0007","90","","90","","90","","1619.7","0.08","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Cl N2 O -","- C19 H21 Cl N2 O -","- C76 H84 Cl4 N8 O4 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","0.71073","MoKα","","0.0519","0.042","","","0.089","0.0975","","","","","","1.122","","","","has coordinates","288888","2024-01-06","09:39:33",""
"7159665","6.4079","0.0003","6.8535","0.0003","22.6667","0.0011","90","","90","","90","","995.44","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-3,3-dimethyl-3H-benzo[d][1,2]oxaphosphole 2-oxide","","- C9 H13 O4 P -","- C9 H13 O4 P -","- C36 H52 O16 P4 -","4","1","","Tatarinov, Dmitry A.; Mikulenkova, Elina A.; Litvinov, Igor A.; Khayarov, Khasan R.; Mironov, Vladimir F.","Divergent synthesis of benzoxaphospholenes and phosphacoumarins via the reaction of 2-alkenylphenols with phosphorus(iii/v) chlorides","Organic & Biomolecular Chemistry","2024","22","8","1629","1633","10.1039/D3OB01718D","","","0.71073","MoKα","","0.0293","0.0285","","","0.0717","0.072","","","","","","1.066","","","","has coordinates","290251","2024-03-04","20:39:26",""
"7159680","6.9302","0.0009","10.5748","0.0014","19.067","0.003","90","","90","","90","","1397.3","0.3","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Zhou, Changsheng; Huang, Ming; Yao, Yufeng; Chen, Chunyu; Yi, Xin; Yang, Ke-Fang; Lai, Guo-Qiao; Xuan, Wenjing; Zhang, Pinglu","Transition-metal-free and additive-free intermolecular hydroarylation of alkenes with indoles in hexafluoroisopropanol.","Organic & biomolecular chemistry","2023","21","48","9534","9541","10.1039/d3ob01570j","","","0.71073","MoKα","","0.0649","0.0434","","","0.0987","0.1102","","","","","","1.024","","","","has coordinates","288891","2024-01-06","09:41:20",""
"7159681","7.426","0.0014","10.475","0.002","18.684","0.004","90","","90","","90","","1453.4","0.5","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 F2 N O -","- C17 H15 F2 N O -","- C68 H60 F8 N4 O4 -","4","1","","Zhou, Changsheng; Huang, Ming; Yao, Yufeng; Chen, Chunyu; Yi, Xin; Yang, Ke-Fang; Lai, Guo-Qiao; Xuan, Wenjing; Zhang, Pinglu","Transition-metal-free and additive-free intermolecular hydroarylation of alkenes with indoles in hexafluoroisopropanol.","Organic & biomolecular chemistry","2023","21","48","9534","9541","10.1039/d3ob01570j","","","0.71073","MoKα","","0.147","0.0542","","","0.1126","0.1554","","","","","","1.0461","","","","has coordinates","288891","2024-01-06","09:41:34",""
"7159702","7.1304","0.0002","10.9898","0.0003","20.539","0.0005","90","","90","","90","","1609.47","0.07","180","0.1","180","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Liang, Changxu; Hu, Chao; Nie, Pengpeng; Liu, Yuanfang; Liu, Jun; Du, Yuguo","Bioinspired synthesis and biological evaluation of <i>ent</i>-protulactones A and B.","Organic & biomolecular chemistry","2023","22","1","175","183","10.1039/d3ob01708g","","x-ray","0.71073","MoKα","","0.0431","0.0368","","","0.0948","0.0981","","","","","","1.045","","","","has coordinates","289606","2024-02-04","12:26:14",""
"7159729","8.5447","0.0004","10.2606","0.0005","12.5052","0.0005","90","","90","","90","","1096.38","0.09","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 S -","- C11 H12 O4 S -","- C44 H48 O16 S4 -","4","1","","Fernandes, Rodney A.; Ranjan, Ravikant S.","Diastereoselective allylation-based asymmetric total synthesis of 1,10-<i>seco</i>-guaianolides.","Organic & biomolecular chemistry","2024","22","4","811","822","10.1039/d3ob02013d","","x-ray","0.71073","MoKα","","0.0552","0.0405","","","0.0874","0.0998","","","","","","0.966","","","","has coordinates","289622","2024-02-04","12:28:43",""
"7159740","4.9499","0.0003","13.8952","0.001","20.1686","0.0016","90","","90","","90","","1387.19","0.17","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O2 S2 -","- C13 H14 N2 O2 S2 -","- C52 H56 N8 O8 S8 -","4","1","","Wang, Peifeng; Li, Shan; Wen, Huiling; Lei, Yin; Huang, Shujuan; Wang, Zixiu; Su, Jialong; Guan, Wenxiang; Lei, Jian","Thiosuccinimide enabled S-N bond formation to access <i>N</i>-sulfenylated sulfonamide derivatives with synthetic diversity.","Organic & biomolecular chemistry","2024","22","5","990","997","10.1039/d3ob01848b","","x-ray","1.54184","CuKα","","0.1147","0.1028","","","0.2746","0.2893","","","","","","1.069","","","","has coordinates","289610","2024-02-04","12:26:58",""
"7159748","5.5266","0.0001","12.2496","0.0003","21.7057","0.0005","90","","90","","90","","1469.45","0.06","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C72 H56 N16 O4 -","4","1","","Qiu, Kongxi; Wu, Kaifu; Ma, Haowen; Ao, Yunlin; Zhou, Wei; Cai, Qian","A transition-metal-free azide–alkyne cycloaddition/hydroamination cascade reaction for the construction of triazole-fused piperazin-2-ones","Organic & Biomolecular Chemistry","2024","22","6","1176","1180","10.1039/D3OB01999C","","x-ray","1.54184","CuKα","","0.0341","0.0318","","","0.081","0.0828","","","","","","1.032","","","","has coordinates","290259","2024-03-04","20:40:46",""
"7159752","7.8405","0.0004","10.9929","0.0006","17.4746","0.0009","90","","90","","90","","1506.13","0.14","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0757","0.0674","","","0.1791","0.1917","","","","","","1.044","","","","has coordinates","288699","2024-01-05","12:57:03",""
"7159753","10.9527","0.0002","12.7611","0.0003","17.1116","0.0004","90","","90","","90","","2391.66","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 N O4 S -","- C32 H23 N O4 S -","- C128 H92 N4 O16 S4 -","4","1","","Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying","The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.","Organic & biomolecular chemistry","2023","21","47","9330","9336","10.1039/d3ob01580g","","","1.54178","CuKα","","0.0567","0.0552","","","0.1351","0.1364","","","","","","1.058","","","","has coordinates","288699","2024-01-05","12:57:15",""
"7159765","10.982","0.002","15.999","0.003","21.423","0.004","90","0.03","90","0.03","90","0.03","3764","1.2","300","2","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 B O4 P -","- C44 H50 B O4 P -","- C176 H200 B4 O16 P4 -","4","1","","Dai, Zhenyun; Xu, Chenyong; Tian, Rongqiang; Duan, Zheng","Towards tetrasubstituted furans through rearrangement and cyclodimerization of acetylenic ketones","Organic & Biomolecular Chemistry","2024","22","6","1172","1175","10.1039/D3OB02036C","","","0.71073","MoKα","","0.0666","0.0466","","","0.1069","0.1184","","","","","","1.0453","","","","has coordinates","290262","2024-03-04","20:41:34",""
"7159778","9.7289","0.0007","11.5281","0.0009","13.9318","0.001","90","","90","","90","","1562.5","0.2","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","Battula, Shravani; Kothuri, Pranay; Bhumannagari, Haripriya; Nayani, Kiranmai","Decarboxylative [3 + 2] cycloaddition of propargyl cyclic carbonates with <i>C</i>,<i>O</i>-bis(nucleophile)s to access dihydrofuro[3,2-<i>c</i>]coumarins and dihydronaphtho[1,2-<i>b</i>]furans with quaternary center.","Organic & biomolecular chemistry","2024","22","8","1671","1675","10.1039/d3ob01893h","","","0.71073","MoKα","","0.0492","0.0391","","","0.1016","0.1088","","","","","","1.045","","","","has coordinates","290253","2024-03-04","20:39:45",""
"7159795","9.948","0.0004","13.3446","0.0005","27.6271","0.0009","90","","90","","90","","3667.6","0.2","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","cobaltocenium thiourea hexafluorophosphate","N-Cobaltocenium-N'-phenylthiourea hexafluorophosphate","","- C17 H16 Co F6 N2 P S -","- C17 H16 Co F6 N2 P S -","- C136 H128 Co8 F48 N16 P8 S8 -","8","2","","Blechschmidt, Daniel R.; Mergendahl, Cal; Kass, Steven R.","Metallocenium incorporated charge-enhanced thiourea catalysts","Organic & Biomolecular Chemistry","2024","22","9","1788","1793","10.1039/D3OB02007J","","","0.71073","MoKα","","0.0553","0.0443","","","0.1004","0.1063","","","","","","1.055","","","","has coordinates,has disorder","290277","2024-03-04","20:43:41",""
"7159816","8.5508","0.0001","12.4763","0.0001","16.5868","0.0001","90","","90","","90","","1769.52","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O7 -","- C18 H24 O7 -","- C72 H96 O28 -","4","1","","Duan, Fangfang; Qin, Chunlun; Sang, Zihuan; Wei, Xiaoyi; Ruan, Hanli","Lignans and [11]-chaetoglobosins from <i>Pseudeurotium bakeri</i> and their immunosuppressive activity.","Organic & biomolecular chemistry","2024","22","11","2271","2278","10.1039/d3ob02109b","","x-ray","1.54184","CuKα","","0.0249","0.0243","","","0.0633","0.0637","","","","","","1.042","","","","has coordinates","291051","2024-04-05","00:12:23",""
"7159844","10.7582","0.0002","12.2091","0.0002","18.8089","0.0004","90","","90","","90","","2470.51","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H42 O6 Si -","- C23 H42 O6 Si -","- C92 H168 O24 Si4 -","4","1","","Sun, Ying; Fu, Shaomin; Liu, Bo","Asymmetric synthesis of the fully functionalized six-membered A-ring of siphonol A.","Organic & biomolecular chemistry","2024","22","15","2958","2962","10.1039/d4ob00104d","","","1.54178","CuKα","","0.0415","0.0404","","","0.1046","0.106","","","","","","1.048","","","","has coordinates","291694","2024-05-05","04:04:37",""
"7159886","8.99824","0.00007","13.13119","0.00009","17.7977","0.00013","90","","90","","90","","2102.93","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N4 O3 -","- C23 H24 N4 O3 -","- C92 H96 N16 O12 -","4","1","","Gao, Siyu; Sun, Xiang; Peng, Sijie; Zha, Zhenggen; Sun, Qi; Wang, Zhiyong","A copper-catalyzed asymmetric Friedel-Crafts hydroxyalkylation of pyrazole-4,5-diones with 5-aminoisoxazoles.","Organic & biomolecular chemistry","2024","22","17","3391","3395","10.1039/d4ob00322e","","x-ray","1.54184","CuKα","","0.0439","0.0434","","","0.1143","0.1151","","","","","","1.079","","","","has coordinates","291684","2024-05-05","03:58:56",""
"7159890","6.0794","0.0002","13.0587","0.0004","17.7262","0.0006","90","","90","","90","","1407.27","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Nanda, Samik; Barik, Rasmita","Asymmetric total synthesis of humulane sesquiterpenoids alashanoids B, C, E, F and 2,9-humuladien-6-ol-8-one","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00393D","","x-ray","0.71073","MoKα","","0.0553","0.0463","","","0.0543","0.0552","","","","2.68","2.68","2.51","","","","has coordinates","291171","2024-04-11","00:52:41",""
"7159908","7.965","0.003","12.839","0.004","18.595","0.006","90","","90","","90","","1901.6","1.1","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 O6 -","- C25 H16 O6 -","- C100 H64 O24 -","4","1","","Neto, Brenno A. D.; Beck, Pedro; Leitão, Arthur; Santana, Yasmin; Correa, Jose R.; Rodrigues, Carime Vitória da Silva; Machado, Daniel; Matos, Guilherme; Machado Ramos, Luciana; Gatto, Claudia Cristina; Z. Andrade, Carlos Kleber; Caldas, Sarah","Revisiting Biginelli-like Reactions: Solvent Effects, Mechanisms, Biological Applications and Correction of Several Literature Reports","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00272E","","","0.71073","MoKα","","0.0865","0.0441","","","0.0894","0.1036","","","","","","0.884","","","","has coordinates","291285","2024-04-19","03:03:02",""
"7159913","8.6952","0.0002","10.1193","0.0002","17.1397","0.0004","90","","90","","90","","1508.11","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 B N2 -","- C15 H27 B N2 -","- C60 H108 B4 N8 -","4","1","","Alexeev, Michael S.; Strelkova, Tatyana V.; Ilyin, Jr., Michail M.; Nelyubina, Yulia V.; Bespalov, Ivan A.; Medvedev, Michael; Khrustalev, Victor N.; Kuznetsov, Nikolai","New Generation of Highly Reactive Allylborating Agents For Cu(I)-Catalyzed Allylation of Chiral Sulfinylimines","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00291A","","","0.71073","MoKα","","0.0557","0.0485","","","0.1193","0.124","","","","","","1.045","","","","has coordinates,has disorder","291331","2024-04-23","01:13:20",""
"7159926","8.005","","10.685","","26.893","","90","","90","","90","","2300.25","","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 O3 -","- C25 H42 O3 -","- C100 H168 O12 -","4","1","","Li, Xiao-Dong; Li, Xiao-Ming; Wang, Bin-Gui; Li, Xin","Antimicrobial sesterterpenoids with a unique 5/8/6/5 tetracyclic carbon-ring-system and diepoxide polyketides from a deep sea-sediment-sourced fungus Chaetomium globosum SD-347","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00449C","","","1.54178","CuKα","","0.09","0.0867","","","0.25","0.2563","","","","","","1.066","","","","has coordinates","291429","2024-05-01","00:35:31",""
"7159941","8.5837","0.0008","16.3187","0.0015","19.3809","0.0017","90","","90","","90","","2714.8","0.4","299","","299","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Br N3 O4 -","- C25 H24 Br N3 O4 -","- C100 H96 Br4 N12 O16 -","4","1","","Liu, Jiamin; Wei, Xingfu; Wang, Yue; Qu, Jingping; Wang, Baomin","Asymmetric synthesis of atropisomeric arylpyrazoles via direct arylation of 5-aminopyrazoles with naphthoquinones","Organic & Biomolecular Chemistry","2024","","","","","10.1039/D4OB00514G","","","0.71073","MoKα","","0.0944","0.0539","","","0.1205","0.1364","","","","","","1.02","","","","has coordinates","291789","2024-05-09","00:45:47",""
"7200157","7.6241","0.001","15.4069","0.0019","25.531","0.003","90","","90","","90","","2999","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H19.08 Cu F6 N2 O9.54 -","- C29 H16 Cu F6 N2 O9.54 -","- C116 H64 Cu4 F24 N8 O38.16 -","4","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.051","0.0391","","","0.0788","0.0839","","","","","","1.006","","","","has coordinates,has disorder","180332","2020-10-21","18:00:00",""
"7200167","4.0478","0.0006","13.5257","0.0019","19.18","0.003","90","","90","","90","","1050.1","0.3","290","2","290","2","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","3-(2- Furyl)-1H-isochromene-1-thione","","","- C13 H8 O2 S -","- C13 H8 O2 S -","- C52 H32 O8 S4 -","4","1","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.0401","0.0323","","","0.0702","0.0722","","","","","","1.085","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200279","7.409","0.0015","13.701","0.003","15.038","0.003","90","","90","","90","","1526.5","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Fe Mn N7 O2 -","- C10 H12 Fe Mn N7 O2 -","- C40 H48 Fe4 Mn4 N28 O8 -","4","1","","Zhao, Chong-Chao; Ni, Wei-Wei; Tao, Jun; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of cyanide-bridged bimetallic MnIIFeIII coordination polymers based on the pentacyanoferrite(III) building blocks","CrystEngComm","2009","11","4","632","","10.1039/b812117f","","","0.71073","MoKα","","0.0274","0.0239","","","0.0545","0.0557","","","","","","1.025","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200309","5.0605","0.0008","10.4608","0.0017","36.916","0.006","90","","90","","90","","1954.2","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N3 O7 S2 Zn -","- C15 H19 N3 O7 S2 Zn -","- C60 H76 N12 O28 S8 Zn4 -","4","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0505","0.0405","","","0.0835","0.0881","","","","","","1.041","","","","has coordinates","218444","2020-10-21","18:00:00",""
"7200391","9.1158","0.0003","9.9478","0.0004","13.7725","0.0005","90","","90","","90","","1248.92","0.08","150","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-bis-(2-aminobenzoyl)hydrazine","1,2-bis-(2-aminobenzoyl)hydrazine","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.1064","0.0564","","","0.1266","0.155","","","","","","0.936","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200394","10.362","0.002","10.943","0.002","25.892","0.005","90","","90","","90","","2935.9","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S,S)-1,2-bis-(2-benzoyloxypropanoyl)-1,2-dibenzoylhydrazine","(S,S)-1,2-bis- (2-benzoyloxypropanoyl)-1,2-dibenzoylhydrazine","","- C34 H28 N2 O8 -","- C34 H28 N2 O8 -","- C136 H112 N8 O32 -","4","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.0793","0.0387","","","0.1099","0.1422","","","","","","1.111","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200395","15.5178","0.0011","19.7909","0.0012","22.0219","0.0016","90","","90","","90","","6763.2","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Cl3 N4 O8 S2 -","- C25 H39 Cl3 N4 O8 S2 -","- C200 H312 Cl24 N32 O64 S16 -","8","2","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","Solvent-induced dynamic single-crystal-to-single-crystal transformation of a synthetic peptide-based cyclic compound","CrystEngComm","2009","11","5","756","","10.1039/b814454k","","","0.71073","MoKα","","0.2929","0.0789","","","0.1459","0.1814","","","","","","0.711","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200468","9.8403","0.0008","10.5515","0.0011","13.0173","0.0011","90","","90","","90","","1351.6","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.1121","0.0657","","","0.1478","0.183","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200511","8.5157","0.0003","10.8984","0.0003","17.6615","0.0006","90","","90","","90","","1639.12","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cu N2 O9 -","- C10 H20 Cu N2 O9 -","- C40 H80 Cu4 N8 O36 -","4","1","","Wu, Shu-Pao; Lee, Chih-Hao","Infinite chiral single-helical structures formed by the self-assembly of Cu(ii)-N-(2-pyridylmethyl)-aspartate complexes","CrystEngComm","2009","11","2","219","","10.1039/b817157m","","","0.71073","MoKα","","0.0728","0.0522","","","0.1227","0.1657","","","","","","1.103","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200616","5.4521","0.0003","6.147","0.0003","17.4832","0.0009","90","","90","","90","","585.93","0.05","100","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H2 N6 O2 -","- C3 H2 N6 O2 -","- C12 H8 N24 O8 -","4","1","","Klapötke, Thomas M.; Miró Sabaté, Carles; Rasp, Matthias","Synthesis and properties of 5-nitrotetrazole derivatives as new energetic materials","Journal of Materials Chemistry","2009","19","15","2240","","10.1039/b818925k","","x-ray","0.71073","MoKα","","0.0344","0.0255","","","0.0563","0.0622","","","","","","1.06","","","","has coordinates","282882","2023-04-27","15:29:04",""
"7200662","9.5545","0.0002","10.204","0.0002","36.9589","0.0007","90","","90","","90","","3603.28","0.12","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C160 H176 O40 -","8","2","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.0955","0.0578","","","0.1219","0.1459","","","","","","1.037","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200865","3.8317","0.0003","13.8861","0.0013","17.7714","0.0016","90","","90","","90","","945.57","0.14","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-methoxyphenyl)-4-methyl-1,5-dihydro-5H-tetrazolone","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C36 H40 N16 O8 -","4","1","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0429","0.0378","","","0.103","0.1078","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200874","11.0626","0.0002","12.0807","0.0003","16.4661","0.0004","90","","90","","90","","2200.59","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 Cu N2 O4 -","- C23 H36 Cu N2 O4 -","- C92 H144 Cu4 N8 O16 -","4","1","","Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C.","Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes","Journal of Materials Chemistry","2009","19","21","3427","","10.1039/b823205a","","","0.71073","MoKα","","0.0625","0.0377","","","0.0684","0.0747","","","","","","1.034","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200879","7.7634","0.0006","10.9958","0.0009","24.578","0.002","90","","90","","90","","2098.1","0.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O4 Zn -","- C21 H32 N2 O4 Zn -","- C84 H128 N8 O16 Zn4 -","4","1","","Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C.","Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes","Journal of Materials Chemistry","2009","19","21","3427","","10.1039/b823205a","","","0.71073","MoKα","","0.0675","0.0428","","","0.0748","0.0831","","","","","","1.085","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200957","5.388","0.0013","9.921","0.003","18.265","0.005","90","","90","","90","","976.3","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9","","- C7 H12 N2 O7 -","- C7 H12 N2 O7 -","- C28 H48 N8 O28 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.6895","synchrotron","","0.0318","0.0307","","","0.0825","0.0836","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201187","5.0709","0.001","6.1246","0.0012","25.5","0.005","90","","90","","90","","792","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C36 H24 N8 O12 -","4","1","","Nizhnik, Yakov P.; Lu, Jianjiang; Rosokha, Sergiy V.; Kochi, Jay K.","Trimorphism of a model carcinogen 4-nitroquinoline-N-oxide","CrystEngComm","2009","11","11","2400","","10.1039/b905845a","","","0.71073","MoKα","","0.0865","0.0586","","","0.0995","0.11","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201203","9.4229","0.0001","11.8744","0.0001","13.8521","0.0001","90","","90","","90","","1549.93","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 I N2 -","- C15 H21 I N2 -","- C60 H84 I4 N8 -","4","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0327","0.0233","","","0.0417","0.0435","","","","","","0.952","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201211","15.9893","0.0004","32.8544","0.0005","5.6968","0.0001","90","","90","","90","","2992.64","0.1","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-phenyl-1,2,3,5-dithiadiazolyl","","","- C7 H5 N2 S2 -","- C7 H5 N2 S2 -","- C112 H80 N32 S32 -","16","4","","Allen, Charlotte; Haynes, Delia A.; Pask, Christopher M.; Rawson, Jeremy M.","Co-crystallisation of thiazyl radicals: preparation and crystal structure of [PhCNSSN][C6F5CNSSN]","CrystEngComm","2009","11","10","2048","","10.1039/b906225d","","","0.71069","MoKα","","0.0671","0.049","","","0.0929","0.0993","","","","","","1.024","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201261","4.535","0.003","10.913","0.007","17.142","0.01","90","","90","","90","","848.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H4 Cu2 N6 -","- C7 H4 Cu2 N6 -","- C28 H16 Cu8 N24 -","4","1","","Wang, Fei; Zhang, Jian; Chen, Shu-Mei; Xie, Yi-Ming; Wu, Xiao-Yuan; Chen, Shan-Ci; Yu, Rong-Min; Lu, Can-Zhong","New (3,4)-connected intrinsically chiral topology observed in a homochiral coordination polymer from achiral precursors","CrystEngComm","2009","11","8","1526","","10.1039/b907092n","","","0.71073","MoKα","","0.0547","0.0498","","","0.1528","0.1594","","","","","","0.998","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201273","8.3466","0.0002","15.8125","0.0003","18.7686","0.0004","90","","90","","90","","2477.09","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cs O12 -","- C21 H29 Cs O12 -","- C84 H116 Cs4 O48 -","4","1","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0496","0.0344","","","0.0556","0.0583","","","","","","0.842","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201274","8.2125","0.0003","15.2641","0.0004","18.9603","0.0006","90","","90","","90","","2376.8","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cs O10 -","- C20 H29 Cs O10 -","- C80 H116 Cs4 O40 -","4","1","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0338","0.026","","","0.04","0.0412","","","","","","0.892","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201330","10.73","0.007","6.88","0.004","23.28","0.015","90","","90","","90","","1718.6","1.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Ag N7 O3 -","- C18 H12 Ag N7 O3 -","- C72 H48 Ag4 N28 O12 -","4","1","","Yan, Chunfeng; Chen, Lian; Feng, Rui; Jiang, Feilong; Hong, Maochun","Thermally stable helical chain and octanuclear Ag(I) coordination networks with yellow luminescence","CrystEngComm","2009","11","11","2529","","10.1039/b909549g","","","0.71073","MoKα","","0.0606","0.0502","","","0.1378","0.1492","","","","","","0.976","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201341","8.3567","0.0017","9.0434","0.0018","12.055","0.002","90","","90","","90","","911","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 Cl N3 Ni O4 -","- C4 H8 Cl N3 Ni O4 -","- C16 H32 Cl4 N12 Ni4 O16 -","4","1","","Hu, Bo-Wen; Zhao, Jiong-Peng; Yang, Qian; Liu, Fu-Chen; Bu, Xian-He","Interconversion of two new nickel(II) coordination polymers with different topologies: synthesis, structure and magnetic properties","Journal of Materials Chemistry","2009","19","37","6827","","10.1039/b909683c","","","0.71073","MoKα","","0.0181","0.0174","","","0.0415","0.0418","","","","","","1.137","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201460","15.0833","0.0011","12.1396","0.0003","8.7075","0.0003","90","","90","","90","","1594.39","0.13","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","1","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.0876","0.0751","","0.092","0.091","0.092","","","","","","1.0004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201484","7.6593","0.0007","12.5747","0.0011","20.4376","0.0018","90","","90","","90","","1968.4","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H31 F3 N2 O3 S -","- C15 H31 F3 N2 O3 S -","- C60 H124 F12 N8 O12 S4 -","4","1","","Lin, Jin-Hong; Zhang, Cheng-Pan; Xiao, Ji-Chang","Enantioselective aldol reaction of cyclic ketones with aryl aldehydes catalyzed by a cyclohexanediamine derived salt in the presence of water","Green Chemistry","2009","11","11","1750","","10.1039/b916583e","","","0.71073","MoKα","","0.0521","0.0451","","","0.1018","0.1048","","","","","","0.986","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201556","5.1864","0.0014","5.8673","0.0016","35.127","0.009","90","","90","","90","","1068.9","0.5","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 F2 N O -","- C13 H9 F2 N O -","- C52 H36 F8 N4 O4 -","4","1","","Chopra, Deepak; Guru Row, T. N.","Evaluation of the interchangeability of C‒H and C‒F groups: insights from crystal packing in a series of isomeric fluorinated benzanilides","CrystEngComm","2008","10","1","54","","10.1039/b709938j","","","0.71073","MoKα","","0.089","0.076","","","0.131","0.135","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201558","8.0984","0.0014","16.458","0.003","16.621","0.003","90","","90","","90","","2215.3","0.7","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Mg O15 -","- C17 H24 Mg O15 -","- C68 H96 Mg4 O60 -","4","1","","Duan, Xianying; Lin, Jianguo; Li, Yizhi; Zhu, Chengjian; Meng, Qingjin","Syntheses, structures and properties of a series of organic‒inorganic complexes based on methylenediisophthalic acid (H4MDIP)","CrystEngComm","2008","10","2","207","","10.1039/b709972j","","","0.71073","MoKα","","0.0641","0.0466","","","0.0952","0.0991","","","","","","1.025","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201572","17.9347","0.0001","18.1877","0.0001","18.3414","0.0002","90","","90","","90","","5982.8","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H92 Er3 N9 O37 -","- C36 H92 Er3 N9 O37 -","- C144 H368 Er12 N36 O148 -","4","1","","Zhu, Xiandong; Ma, Zhen; Bi, Wenhua; Wang, Yuling; Yuan, Daqiang; Cao, Rong","Formation of a sandwich-type supercomplex through second-sphere coordination of functionalized macrocyclic polyamines","CrystEngComm","2008","10","1","19","","10.1039/b710633e","","","0.71073","MoKα","","0.0316","0.0274","","","0.0522","0.054","","","","","","1.152","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7201675","10.9504","0.0013","11.8398","0.0014","13.2335","0.0016","90","","90","","90","","1715.7","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 B F4 N3 Pd -","- C14 H26 B F4 N3 Pd -","- C56 H104 B4 F16 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0219","0.0215","","","0.053","0.0534","","","","","","1.083","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201676","10.824","0.003","12.23","0.003","14.106","0.003","90","","90","","90","","1867.3","0.8","278","2","278","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 B F4 N3 Pd -","- C15 H28 B F4 N3 Pd -","- C60 H112 B4 F16 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0829","0.0493","","","0.0814","0.0873","","","","","","1.041","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201678","8.9088","0.0009","9.5432","0.001","20.917","0.002","90","","90","","90","","1778.3","0.3","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 B F5 N3 Pd -","- C14 H25 B F5 N3 Pd -","- C56 H100 B4 F20 N12 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.037","0.0346","","","0.0812","0.0825","","","","","","1.048","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201679","10.908","0.002","12.578","0.003","13.989","0.003","90","","90","","90","","1919.3","0.7","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 F6 N3 P Pd -","- C14 H26 F6 N3 P Pd -","- C56 H104 F24 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0361","0.0354","","","0.0966","0.0971","","","","","","1.103","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201680","10.839","0.0007","12.5518","0.0009","14.3611","0.001","90","","90","","90","","1953.8","0.2","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 F6 N3 P Pd -","- C15 H28 F6 N3 P Pd -","- C60 H112 F24 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0223","0.0221","","","0.053","0.0532","","","","","","1.097","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201681","10.777","0.003","12.438","0.003","14.353","0.003","90","","90","","90","","1923.9","0.8","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 F7 N3 P Pd -","- C14 H25 F7 N3 P Pd -","- C56 H100 F28 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.035","0.0309","","","0.0734","0.0749","","","","","","1.084","","","","has coordinates,has disorder","180347","2020-10-21","18:00:00",""
"7201682","10.7696","0.0009","12.4391","0.001","14.6194","0.0012","90","","90","","90","","1958.5","0.3","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 Cl F6 N3 P Pd -","- C14 H25 Cl F6 N3 P Pd -","- C56 H100 Cl4 F24 N12 P4 Pd4 -","4","1","","Kalf, Irmgard; Wang, Ruimin; Englert, Ulli","A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions","CrystEngComm","2008","10","1","39","","10.1039/b712641g","","","0.71073","MoKα","","0.0649","0.0627","","","0.1443","0.1455","","","","","","1.196","","","","has coordinates","180347","2020-10-21","18:00:00",""
"7201736","7.395","0.004","11.218","0.006","20.202","0.01","90","","90","","90","","1675.9","1.5","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N5 O -","- C16 H23 N5 O -","- C64 H92 N20 O4 -","4","1","","Srivijaya, R.; Vishweshwar, Peddy; Sreekanth, B. R.; Vyas, K.","Crystalline forms and aqueous solubilities of an IBS drug, tegaserod","CrystEngComm","2008","10","3","283","","10.1039/b714374p","","","0.7107","MoKα","","","0.0466","","","","0.0975","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201740","10.3356","0.0003","15.3573","0.0003","17.2719","0.0006","90","","90","","90","","2741.52","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cd N4 O4 -","- C30 H26 Cd N4 O4 -","- C120 H104 Cd4 N16 O16 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.0826","0.0428","","","0.0914","0.1076","","","","","","0.933","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201742","10.121","0.006","15.47","0.009","17.597","0.001","90","","90","","90","","2755","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cd N4 O5 -","- C30 H26 Cd N4 O5 -","- C120 H104 Cd4 N16 O20 -","4","1","","Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Ping, Guang-Ju","Structures of metal-organic networks based on flexible 1,1′-(1,4-butanediyl)bis(imidazole-2-phenyl) ligand","CrystEngComm","2008","10","5","565","","10.1039/b714399k","","","0.71069","MoKα","","0.122","0.0561","","","0.1052","0.1314","","","","","","0.926","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201789","5.4997","0.0004","13.5883","0.0009","30.125","0.002","90","","90","","90","","2251.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O7 S -","- C21 H29 N O7 S -","- C84 H116 N4 O28 S4 -","4","1","","Wermester, Nicolas; Lambert, Olivier; Coquerel, Gérard","Preferential crystallization (AS3PC mode) of modafinic acid: an example of productivity enhancement by addition of a non-chiral base","CrystEngComm","2008","10","6","724","","10.1039/b715975g","","","0.71073","MoKα","","0.0899","0.048","","","0.1019","0.1298","","","","","","0.877","","","","has coordinates","180348","2020-10-21","18:00:00",""
"7201807","8.767","0.0003","10.911","0.0004","18.319","0.0006","90","","90","","90","","1752.34","0.1","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Br3 O -","- C19 H13 Br3 O -","- C76 H52 Br12 O4 -","4","1","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71073","MoKα","","0.0695","0.0348","","","0.0544","0.0595","","","","","","0.808","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201808","8.83","0.0003","11.2826","0.0004","19.1611","0.0006","90","","90","","90","","1908.93","0.11","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 I3 O -","- C19 H13 I3 O -","- C76 H52 I12 O4 -","4","1","","Schollmeyer, Dieter; Shishkin, Oleg V.; Rühl, Thomas; Vysotsky, Myroslav O.","OH‒π and halogen‒π interactions as driving forces in the crystal organisations of tri-bromo and tri-iodo trityl alcohols","CrystEngComm","2008","10","6","715","","10.1039/b716442d","","","0.71069","MoKα","","0.0289","0.0276","","","0.0712","0.0718","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201829","5.82141","0.00004","5.8545","0.00004","13.85255","0.00009","90","","90","","90","","472.115","0.006","2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","perdeuteroalloxan","perdeuteroalloxan","","- C4 D2 N2 O4 -","- C4 D2 N2 O4 -","- C16 D8 N8 O16 -","4","1","","Ibberson, Richard M.; Marshall, William G.; Budd, Laura E.; Parsons, Simon; Pulham, Colin R.; Spanswick, Christopher K.","Alloxan—a new low-temperature phase determined by neutron powder diffraction","CrystEngComm","2008","10","5","465","","10.1039/b716960d","powder diffraction","neutron","","time-of-flightneutron","","","","","","","","0.04559","","1.67","","","","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201865","8.6831","0.0018","12.128","0.003","15.999","0.003","90","","90","","90","","1684.8","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Mn2 O14 -","- C10 H20 Mn2 O14 -","- C40 H80 Mn8 O56 -","4","1","","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Structural transformations from a 1-D chain to two 3-D supramolecular isomers via crystal disassembly and reassembly","CrystEngComm","2008","10","5","472","","10.1039/b717297d","","","0.71073","MoKα","","0.0408","0.0389","","","0.0897","0.0906","","","","","","1.097","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201866","9.121","0.0019","9.3174","0.0019","10.414","0.002","90","","90","","90","","885","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 Mn O8 -","- C4 H10 Mn O8 -","- C16 H40 Mn4 O32 -","4","1","","Bai, Yue-Ling; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Structural transformations from a 1-D chain to two 3-D supramolecular isomers via crystal disassembly and reassembly","CrystEngComm","2008","10","5","472","","10.1039/b717297d","","","0.71073","MoKα","","0.0227","0.0223","","","0.0568","0.0569","","","","","","1.114","","","","has coordinates","180349","2020-10-21","18:00:00",""
"7201912","13.51","0.0001","27.37","0.0002","27.991","0.0003","90","","90","","90","","10350.2","0.15","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C65 H94 Cl4 N4 O29.25 Pd2 Zn4 -","- C65 H86 Cl4 N4 O29.25 Pd2 Zn4 -","- C260 H344 Cl16 N16 O117 Pd8 Zn16 -","4","1","","Burrows, Andrew D.; Mahon, Mary F.; Wong, Claudia T. F.","Complexes as metalloligands in network formation: synthesis and characterisation of a mixed-metal coordination network containing palladium and zinc","CrystEngComm","2008","10","5","487","","10.1039/b718961c","","","0.71073","MoKα","","0.0769","0.0627","","","0.1716","0.1847","","","","","","1.046","","","","has coordinates,has disorder","180350","2020-10-21","18:00:00",""
"7201921","11.0436","0.0005","12.9919","0.0006","16.8564","0.0009","90","","90","","90","","2418.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Fe N6 O4 Zn -","- C22 H26 Fe N6 O4 Zn -","- C88 H104 Fe4 N24 O16 Zn4 -","4","1","","He, Cheng; Zhang, Bingguang; Xie, Lixia; Liu, Yang; Duan, Chunying","Stereoselective association of ferrocene-contained molecular clips in coordination polymers","CrystEngComm","2008","10","6","759","","10.1039/b719509e","","","0.71073","MoKα","","0.0451","0.0353","","","0.0779","0.0802","","","","","","1.016","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201922","11.0485","0.0003","12.9858","0.0004","16.8845","0.0005","90","","90","","90","","2422.48","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Fe N6 O4 Zn -","- C22 H26 Fe N6 O4 Zn -","- C88 H104 Fe4 N24 O16 Zn4 -","4","1","","He, Cheng; Zhang, Bingguang; Xie, Lixia; Liu, Yang; Duan, Chunying","Stereoselective association of ferrocene-contained molecular clips in coordination polymers","CrystEngComm","2008","10","6","759","","10.1039/b719509e","","","0.71073","MoKα","","0.0383","0.0297","","","0.0579","0.0596","","","","","","1.009","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201970","8.57203","0.00067","9.30117","0.00049","5.60429","0.00045","90","","90","","90","","446.83","0.06","298","","298","","76000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.562","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201971","8.4877","0.00068","9.09431","0.00054","5.57539","0.00047","90","","90","","90","","430.36","0.06","298","","298","","940000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.603","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201972","8.44354","0.00073","8.96414","0.00056","5.55463","0.0005","90","","90","","90","","420.42","0.06","298","","298","","1613000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.481","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201973","8.39175","0.00069","8.80598","0.00051","5.52187","0.0005","90","","90","","90","","408.05","0.06","298","","298","","2625000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.481","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201974","8.35471","0.00071","8.70622","0.00053","5.49678","0.00053","90","","90","","90","","399.82","0.06","298","","298","","3458000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.287","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201975","8.32162","0.0006","8.62427","0.00043","5.47386","0.00041","90","","90","","90","","392.85","0.05","298","","298","","4270000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.424","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201976","8.30986","0.00053","8.59508","0.00039","5.46585","0.00036","90","","90","","90","","390.39","0.04","298","","298","","4514000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.34","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201977","6.87","0.00033","9.63731","0.00056","5.60664","0.0003","90","","90","","90","","371.21","0.03","298","","298","","5199000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.658","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201978","6.81067","0.00043","9.62266","0.00069","5.59344","0.00031","90","","90","","90","","366.58","0.04","298","","298","","5700000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.606","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201979","6.76267","0.00042","9.60731","0.0007","5.58248","0.00037","90","","90","","90","","362.7","0.04","298","","298","","6280000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.36","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201980","6.68687","0.00032","9.58023","0.00058","5.56241","0.00031","90","","90","","90","","356.34","0.03","298","","298","","7243000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.563","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7201981","6.54874","0.00033","9.53864","0.00054","5.60779","0.00032","90","","90","","90","","350.3","0.03","298","","298","","8162000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-serine-d7","L-serine-d7","","- C3 D7 N O3 -","- C3 D7 N O3 -","- C12 D28 N4 O12 -","4","1","","Wood, Peter A.; Francis, Duncan; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Rohl, Andrew L.","A study of the high-pressure polymorphs of L-serine using ab initio structures and PIXEL calculations","CrystEngComm","2008","10","9","1154","","10.1039/b801571f","powder diffraction","neutron","","Neutron","","","","","","","","","","1.313","","","","","","","has coordinates","180350","2020-10-21","18:00:00",""
"7202062","8.6165","0.0004","14.8416","0.0007","24.394","0.0012","90","","90","","90","","3119.6","0.3","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H34 N O6 P -","- C36 H34 N O6 P -","- C144 H136 N4 O24 P4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol","CrystEngComm","2008","10","8","947","","10.1039/b803331p","","","0.71073","MoKα","","0.0476","0.0433","","","0.0991","0.1016","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202063","8.6388","0.0008","14.7982","0.0014","24.537","0.002","90","","90","","90","","3136.8","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O6 P -","- C37 H36 N O6 P -","- C148 H144 N4 O24 P4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol","CrystEngComm","2008","10","8","947","","10.1039/b803331p","","","0.71073","MoKα","","0.0817","0.0758","","","0.1693","0.172","","","","","","1.195","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202064","8.7098","0.0006","14.6885","0.0011","24.5732","0.0018","90","","90","","90","","3143.7","0.4","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 N O6 P -","- C37 H36 N O6 P -","- C148 H144 N4 O24 P4 -","4","1","","Imai, Yoshitane; Murata, Katuzo; Matsuno, Hideki; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation of supramolecular host system with multiple chiral points (central, axial, and helical) by using (1R,2S)-2-amino-1,2-diphenylethanol","CrystEngComm","2008","10","8","947","","10.1039/b803331p","","","0.71073","MoKα","","0.0695","0.0542","","","0.1031","0.1091","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202083","7.491","0.0007","14.3672","0.0013","22.775","0.002","90","","90","","90","","2451.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cu N6 O9 S2 -","- C18 H18 Cu N6 O9 S2 -","- C72 H72 Cu4 N24 O36 S8 -","4","1","","Zhang, Zhi-Hui; Du, Miao","Flexible and versatile anionic modules in the direction of 1-D, 2-D, and 3-D coordination frameworks by metal‒ligand synergistic interactions","CrystEngComm","2008","10","10","1350","","10.1039/b803736a","","","0.71073","MoKα","","0.0325","0.03","","","0.0928","0.0948","","","","","","1.047","","","","has coordinates,has disorder","180351","2020-10-21","18:00:00",""
"7202217","5.2948","0.0005","11.1107","0.0011","11.1385","0.0011","90","","90","","90","","655.27","0.11","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.0337","0.0303","","0.067","0.0663","0.0663","","","","","","0.8822","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7202218","5.26","0.002","11.201","0.005","11.275","0.005","90","","90","","90","","664.3","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.; Postlethwaite, Stella R.; Johnson, Mark R.","Polymorphism and hydrogen bonding in cinchomeronic acid: a variable temperature experimental and computational study","CrystEngComm","2008","10","10","1404","","10.1039/b807015f","","","0.71073","MoKα","","0.0423","0.0323","","0.066","0.0643","0.0643","","","","","","0.8776","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7202247","11.9762","0.001","14.2223","0.0012","15.5903","0.0014","90","","90","","90","","2655.5","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H33 Cd2 O12.5 -","- C20 H24 Cd2 O12.5 -","- C80 H96 Cd8 O50 -","4","1","","Burrows, Andrew D.; Cassar, Kevin; Mahon, Mary F.; Rigby, Sean P.; Warren, John E.","Synthesis and characterisation of metal‒organic frameworks containing bis(β-diketonate) linkers","CrystEngComm","2008","10","10","1474","","10.1039/b808350a","","","0.6934","Synchrotron","","0.0876","0.0495","","","0.0973","0.112","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202275","7.0172","0.0014","10.343","0.002","15.516","0.003","90","","90","","90","","1126.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N4 O2 -","- C11 H12 N4 O2 -","- C44 H48 N16 O8 -","4","1","","Bhogala, Balakrishna R.; Chandran, Sreekanth K.; Reddy, L. Sreenivas; Thakuria, Ranjit; Nangia, Ashwini","Molecular networks. Design and serendipity","CrystEngComm","2008","10","12","1735","","10.1039/b808923j","","","0.71073","MoKα","","0.0715","0.0639","","","0.1207","0.1227","","","","","","1.329","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202280","7.5434","0.0008","18.575","0.002","16.7756","0.0019","90","","90","","90","","2350.6","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Cinacalcet HCl acetic acid solvate","","","- C24 H27 Cl F3 N O2 -","- C24 H27 Cl F3 N O2 -","- C96 H108 Cl4 F12 N4 O8 -","4","1","","Braun, Doris E.; Kahlenberg, Volker; Gelbrich, Thomas; Ludescher, Johannes; Griesser, Ulrich J.","Solid state characterisation of four solvates of R-cinacalcet hydrochloride","CrystEngComm","2008","10","11","1617","","10.1039/b809219b","","","0.71073","MoKα","","0.0596","0.0458","","","0.0807","0.0845","","","","","","1.07","","","","has coordinates,has disorder","180353","2020-10-21","18:00:00",""
"7202308","6.3682","0.0013","14.511","0.003","17.457","0.004","90","","90","","90","","1613.2","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","((R)-1-phenylethylammonium) 2-naphthalenecarboxylate","((R)-1-phenylethylammonium) 2-naphthalenecarboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0607","0.0521","","","0.1277","0.1334","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202309","6.3709","0.0013","14.513","0.003","17.445","0.004","90","","90","","90","","1613","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","((S)-1-phenylethylammonium) 2-naphthalenecarboxylate","((S)-1-phenylethylammonium) 2-naphthalenecarboxylate","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.","Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts","CrystEngComm","2008","10","11","1605","","10.1039/b810068c","","","0.71073","MoKα","","0.0474","0.037","","","0.0912","0.0968","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202349","6.1375","0.0006","15.5472","0.0015","25.751","0.003","90","","90","","90","","2457.2","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3beta-hydroxypregn-5-en-20-one+4iodophenol cocrystal","3β-hydroxypregn-5-en-20-one+4iodophenol cocrystal","","- C27 H37 I O3 -","- C27 H37 I O3 -","- C108 H148 I4 O12 -","4","1","","Bhatt, Prashant M.; Desiraju, Gautam R.","Co-crystal formation and the determination of absolute configuration","CrystEngComm","2008","10","12","1747","","10.1039/b810643f","","","0.71073","MoKα","","0.0247","0.0236","","","0.0537","0.0542","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202357","9.3344","0.0006","11.822","0.003","4.7387","0.0003","90","","90","","90","","522.92","0.14","293","","293","","","","1000000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.0531","0.0408","","0.0427","0.0411","0.0427","","","","","","1.0694","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202358","9.3563","0.0006","11.443","0.002","4.6166","0.0003","90","","90","","90","","494.27","0.1","293","","293","","","","2600000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.0517","0.0419","","0.0497","0.0478","0.0497","","","","","","0.9923","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202359","9.3706","0.0006","11.204","0.002","4.5341","0.0003","90","","90","","90","","476.03","0.1","293","","293","","","","3700000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","Synchrotron","","0.0546","0.0418","","0.0781","0.0947","0.07813","","","","","","1.559","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202360","9.3701","0.0014","11.1831","0.001","4.52938","0.00059","90","","90","","90","","474.62","0.1","298","","298","","3805000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine hydrate","perdeuterated L-serine hydrate","","- C3 D9 N O4 -","- C3 D9 N O4 -","- C12 D36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","powder diffraction","neutron","","Neutron","","","","","","","","","","1.121","","","","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202361","9.3728","0.0005","11.0359","0.0017","4.4782","0.0003","90","","90","","90","","463.21","0.08","293","","293","","","","4500000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.0465","0.0381","","0.0436","0.0421","0.0436","","","","","","0.8385","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202362","9.8778","0.0013","10.155","0.004","4.4175","0.0007","90","","90","","90","","443.1","0.2","293","","293","","","","5200000","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine Monohydrate","","","- C3 H9 N O4 -","- C3 H9 N O4 -","- C12 H36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","","","0.4865","synchrotron","","0.1128","0.0718","","0.111","0.1032","0.111","","","","","","1.67","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202363","9.8641","0.0014","10.0991","0.00093","4.3986","0.00065","90","","90","","90","","438.18","0.1","298","","298","","5810000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Serine hydrate","perdeuterated L-serine hydrate","","- C3 D9 N O4 -","- C3 D9 N O4 -","- C12 D36 N4 O16 -","4","1","","Johnstone, Russell D. L.; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Parsons, Simon; Pidcock, Elna; Warren, John E.","High-pressure polymorphism in L-serine monohydrate: identification of driving forces in high pressure phase transitions and possible implications for pressure-induced protein denaturation","CrystEngComm","2008","10","12","1758","","10.1039/b810746g","powder diffraction","neutron","","Neutron","","","","","","","","","","1.211","","","","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202365","8.4723","0.0017","9.6587","0.0019","21.283","0.004","90","","90","","90","","1741.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Ag2 N8 O6 -","- C12 H12 Ag2 N8 O6 -","- C48 H48 Ag8 N32 O24 -","4","1","","Du, Jian-Long; Hu, Tong-Liang; Zhang, Shu-Ming; Zeng, Yong-Fei; Bu, Xian-He","Tuning silver(I) coordination architectures by ligands design: from dinuclear, trinuclear, to 1D and 3D frameworks","CrystEngComm","2008","10","12","1866","","10.1039/b810773d","","","0.71073","MoKα","","0.0457","0.0352","","","0.0541","0.0562","","","","","","1.104","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202398","8.7404","0.0008","11.3039","0.001","27.252","0.003","90","","90","","90","","2692.5","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 N4 O6 S Zn -","- C28 H22 N4 O6 S Zn -","- C112 H88 N16 O24 S4 Zn4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Chen, Hong; Huang, Rong-Yi; Ren, Xiao-Ming","Two zinc(II) supramolecular isomers of square grid networks formed by two flexible ligands: syntheses, structures and nonlinear optical properties","CrystEngComm","2008","10","11","1527","","10.1039/b811498f","","","0.71073","MoKα","","0.0376","0.0306","","","0.0638","0.066","","","","","","1.007","","","","has coordinates","180354","2020-10-21","18:00:00",""
"7202399","5.6667","0.0006","9.4916","0.0011","15.9768","0.0018","90","","90","","90","","859.33","0.17","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","C2H8N5, CH2N5","","","- C3 H10 N10 -","- C3 H10 N10 -","- C12 H40 N40 -","4","1","","Tao, Guo-Hong; Guo, Yong; Joo, Young-Hyuk; Twamley, Brendan; Shreeve, Jean'ne M.","Energetic nitrogen-rich salts and ionic liquids: 5-aminotetrazole (AT) as a weak acid","Journal of Materials Chemistry","2008","18","45","5524","","10.1039/b811506k","","","0.71073","MoKα","","0.0299","0.0291","","","0.0758","0.0767","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202538","8.616","0.01","9.832","0.01","38.95","0.07","90","","90","","90","","3300","8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H31 N3 -","- C44 H31 N3 -","- C176 H124 N12 -","4","1","","McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim","The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes","Journal of Materials Chemistry","2007","17","20","2088","","10.1039/b614235d","","","0.71069","MoKα","","0.046","0.0378","","","0.0928","0.0989","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202585","7.1563","0.001","13.1156","0.0015","27.469","0.003","90","","90","","90","","2578.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1R,2R)-1,3-dihydroxy-N,N-dimethyl-1-(4- (methylthio)phenyl)propan-2-aminium (1R,3R)-2,2-dimethyl-3-(2- methylprop-1-enyl)-cyclopropanecarboxylate, methanol solvated","(1R,2R)-1,3-dihydroxy-N,N-dimethyl-1-[4-(methylthio)phenyl]propan- 2-aminium (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)- cyclopropanecarboxylate, methanol solvated","","- C23 H39 N O5 S -","- C23 H39 N O5 S -","- C92 H156 N4 O20 S4 -","4","1","","Rosini, Goffredo; Ayoub, Claudia; Borzatta, Valerio; Marotta, Emanuela; Mazzanti, Andrea; Righi, Paolo","The same and not the same. Similarities and differences in the resolution of trans-chrysanthemic acid of industrial origin by the enantiomers of some threo-1-aryl-2-dimethylamino-1,3-propanediols","Green Chemistry","2007","9","5","441","","10.1039/b615785h","","","0.71073","MoKα","","0.056","0.047","","","0.1345","0.1434","","","","","","1.026","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202612","7.7901","0.0003","10.8098","0.0004","23.0523","0.0009","90","","90","","90","","1941.22","0.13","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R)-4-(2,3-dihydroxypropoxy) benzoic acid","","- C10 H12 O5 -","- C10 H12 O5 -","- C80 H96 O40 -","8","2","","Andrews, Philip C.; Forsyth, Craig M.; Fraser, Benjamin H.; Junk, Peter C.; Massi, Massimiliano; Silberstein, Morry","Diol-functionalised benzoates as novel linkers for the formation of coordination polymers","CrystEngComm","2007","9","4","282","","10.1039/b616939b","","","0.71073","MoKα","","0.0422","0.0409","","","0.113","0.1151","","","","","","1.11","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202660","7.3178","0.0014","10.551","0.002","20.587","0.004","90","","90","","90","","1589.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 B N2 O2 -","- C15 H21 B N2 O2 -","- C60 H84 B4 N8 O8 -","4","1","","Tan, Wei; Zhang, Deqing; Wang, Zhuo; Liu, Caiming; Zhu, Daoben","4-(N,N-Dimethylamine)benzonitrile (DMABN) derivatives with boronic acid and boronate groups: new fluorescent sensors for saccharides and fluoride ion","Journal of Materials Chemistry","2007","17","19","1964","","10.1039/b618183j","","","0.71073","MoKα","","0.09","0.0701","","","0.157","0.1682","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202666","7.9889","0.0012","8.6291","0.0013","22.455","0.003","90","","90","","90","","1548","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(cyclooctylammonium)triiodoplumbate(ii)","(cyclooctylammonium)triiodoplumbate(II)","","- C8 H18 I3 N Pb -","- C8 H18 I3 N Pb -","- C32 H72 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Inorganic?organic hybrid materials incorporating primary cyclic ammonium cations: The lead iodide series","CrystEngComm","2007","9","3","236","","10.1039/b618196a","","","0.71073","MoKα","","0.049","0.0423","","","0.0995","0.1019","","","","","","1.064","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202685","5.1398","0.0009","19.0901","0.0016","19.152","0.0015","90","","90","","90","","1879.2","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,4,5,6-pentafluorophenol","","- C6 H F5 O -","- C6 H F5 O -","- C72 H12 F60 O12 -","12","3","","Gdaniec, Maria","On the polymorphs of pentafluorophenol and its 2?:?1 co-crystal with pentafluoroaniline","CrystEngComm","2007","9","4","286","","10.1039/b700245a","","","0.71073","MoKα","","0.0695","0.049","","","0.0929","0.1012","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202708","5.1139","0.0001","13.4807","0.0003","24.8362","0.0005","90","","90","","90","","1712.18","0.06","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1171","0.0501","","","0.0852","0.1036","","","","","","0.989","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202709","9.4877","0.0015","12.6863","0.0019","14.832","0.002","90","","90","","90","","1785.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Karmakar, Anirban; Sarma, Rupam J.; Baruah, Jubaraj B.","Structural aspects and properties of salt and inclusion compounds of 8-hydroxyquinoline based amides","CrystEngComm","2007","9","5","379","","10.1039/b700701a","","","0.71073","MoKα","","0.1017","0.0481","","","0.1248","0.1545","","","","","","0.931","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202727","5.558","0.003","7.665","0.004","37.188","0.025","90","","90","","90","","1584.3","1.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5,5'-bis(4-hydroxyphenyl)-2,2'-bithiophene","5,5'-bis(4-hydroxyphenyl)-2,2'-bithiophene","","- C20 H14 O2 S2 -","- C80 H56 O8 S8 -","- C80 H56 O8 S8 -","","","","Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo","Molecular ordering in bis(phenylenyl)bithiophenes","Journal of Materials Chemistry","2007","17","32","3427","","10.1039/b701035d","","","1.2084","synchrotron","","","","","","","","","","","","","","","","","has coordinates","277887","2022-09-15","15:15:13",""
"7202737","6.7781","0.0009","13.5566","0.0018","26.631","0.004","90","","90","","90","","2447.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-methyl-4-(2-(9-ethyl carbazol-3-yl)vinyl)pyridinium tosylate","1-methyl-4-[2-(9-ethyl carbazol-3-yl)vinyl]pyridinium tosylate","","- C29 H28 N2 O3 S -","- C29 H28 N2 O3 S -","- C116 H112 N8 O12 S4 -","4","1","","Gu, Jie; Chen, Wei-Qiang; Wada, Tatsuo; Hashizume, Daisuke; Duan, Xuan-Ming","From supermolecular sheet to helix by breaking molecular symmetry: the case of 4-[2-(carbazol-3-yl)vinyl] pyridium tosylate","CrystEngComm","2007","9","7","541","","10.1039/b701377a","","","0.71073","MoKα","","0.0731","0.0419","","","0.0942","0.1066","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202739","6.6773","0.0006","14.0015","0.0015","24.593","0.002","90","","90","","90","","2299.3","0.4","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-methyl-4-(2-(9-methyl carbazol-3-yl)vinyl)pyridinium tosylate","1-methyl-4-[2-(9-methyl carbazol-3-yl)vinyl]pyridinium tosylate","","- C28 H26 N2 O3 S -","- C28 H26 N2 O3 S -","- C112 H104 N8 O12 S4 -","4","1","","Gu, Jie; Chen, Wei-Qiang; Wada, Tatsuo; Hashizume, Daisuke; Duan, Xuan-Ming","From supermolecular sheet to helix by breaking molecular symmetry: the case of 4-[2-(carbazol-3-yl)vinyl] pyridium tosylate","CrystEngComm","2007","9","7","541","","10.1039/b701377a","","","0.71073","MoKα","","0.119","0.0628","","","0.0929","0.1077","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202761","10.3273","0.0008","15.0682","0.0012","19.0674","0.0015","90","","90","","90","","2967.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N4 O4 Zn -","- C13 H14 N4 O4 Zn -","- C104 H112 N32 O32 Zn8 -","8","2","","Ghoreishi Amiri, Maryam; Mahmoudi, Ghodrat; Morsali, Ali; Hunter, Allen D.; Zeller, Matthias","Zinc(ii) nitrite coordination polymers based on rigid and flexible organic nitrogen donor ligands","CrystEngComm","2007","9","8","686","","10.1039/b701711a","","","0.71073","MoKα","","0.0261","0.0246","","","0.0613","0.0622","","","","","","1.056","","","","has coordinates","180358","2020-10-21","18:00:00",""
"7202818","7.6682","0.0006","12.761","0.001","16.8947","0.0012","90","","90","","90","","1653.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl N3 O6 -","- C14 H18 Cl N3 O6 -","- C56 H72 Cl4 N12 O24 -","4","1","","Wu, Biao; Huang, Xiaojuan; Xia, Yazhao; Yang, Xiao-Juan; Janiak, Christoph","Oxo-anion binding by protonated (dimethylphenyl)(pyridyl)ureas","CrystEngComm","2007","9","8","676","","10.1039/b702278f","","","0.71073","MoKα","","0.088","0.0675","","","0.1912","0.2157","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202897","4.229","0.0008","14.112","0.003","23.312","0.005","90","","90","","90","","1391.3","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F3 I2 N -","- C13 H6 F3 I2 N -","- C52 H24 F12 I8 N4 -","4","1","","André C. B. Lucassen; Tatiana Zubkov; Linda J. W. Shimon; Milko E. van der Boom","Design, synthesis and crystal structure of a multiple donor?acceptor halogen bonded stilbazole: assembly of unimolecular interconnected helices","CrystEngComm","2007","9","7","538","","10.1039/b704569g","","","0.71073","MoKα","","0.0382","0.0294","","","0.0588","0.0613","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203023","8.4675","0.0001","12.8704","0.0002","24.3518","0.0004","90","","90","","90","","2653.86","0.07","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Cl4 Cu2 N4 O2 -","- C24 H22 Cl4 Cu2 N4 O2 -","- C96 H88 Cl16 Cu8 N16 O8 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0823","0.0433","","","0.1026","0.1263","","","","","","0.765","","","","has coordinates","180361","2020-10-21","18:00:00",""
"7203024","8.5212","0.0002","12.8596","0.0003","24.1208","0.0005","90","","90","","90","","2643.14","0.1","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24.2 H22 Cl4 Cu2 N4 O0.2 -","- C24.2 H22 Cl4 Cu2 N4 O0.2 -","- C96.8 H88 Cl16 Cu8 N16 O0.8 -","4","1","","Almesåker, Ann; Bourne, Susan A.; Ramon, Gaëlle; Scott, Janet L.; Strauss, Christopher R.","Coordination chemistry of N,N,4-tris(pyridin-2-ylmethyl)aniline: a novel flexible, multimodal ligand","CrystEngComm","2007","9","11","997","","10.1039/b708465j","","","0.71073","MoKα","","0.0786","0.0431","","","0.077","0.0853","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203028","8.0308","0.0003","13.9735","0.0006","19.0422","0.0008","90","","90","","90","","2136.88","0.15","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[Y(2-MeBA)3]n","poly[tri(2-methylbenzoato)yttrium]","","- C24 H21 O6 Y -","- C24 H21 O6 Y -","- C96 H84 O24 Y4 -","4","1","","Deacon, Glen B.; Hein, Stefanie; Junk, Peter C.; Jüstel, Thomas; Lee, Winnie; Turner, David R.","Structural variations in rare earth benzoate complexes : Part II. Yttrium and terbium","CrystEngComm","2007","9","11","1110","","10.1039/b708589c","","","0.71073","MoKα","","0.036","0.0279","","","0.0565","0.0594","","","","","","0.803","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203057","5.9369","0.0006","10.9023","0.001","13.2907","0.0019","90","","90","","90","","860.25","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 O S -","- C9 H8 O S -","- C36 H32 O4 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.0345","0.029","","","0.077","0.0836","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203062","7.9083","0.0004","8.889","0.0004","14.4521","0.0007","90","","90","","90","","1015.94","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O3 S -","- C10 H10 O3 S -","- C40 H40 O12 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71069","MoKα","","0.0365","0.029","","","0.0675","0.0766","","","","","","1.133","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203064","6.586","0.0002","10.1867","0.0003","16.9358","0.0006","90","","90","","90","","1136.22","0.06","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 S -","- C11 H12 O3 S -","- C44 H48 O12 S4 -","4","1","","Lehane, K. Niamh; Moynihan, Edmond J. A.; Brondel, Nicolas; Lawrence, Simon E.; Maguire, Anita R.","Impact of sulfur substituents on the C‒H⋯O interaction of terminal alkynes in crystal engineering","CrystEngComm","2007","9","11","1041","","10.1039/b709261j","","","0.71073","MoKα","","0.044","0.0325","","","0.0753","0.08","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203066","5.8976","0.001","16.381","0.003","16.464","0.003","90","","90","","90","","1590.6","0.5","303","2","303","2","","","101","","","","synthetic","5","P 21 21 21","P 2ac 2ab","19","none","(10-nitro-phenantren-9-yl)(phenyl)sulphide","","- C20 H13 N O2 S -","- C20 H13 N O2 S -","- C80 H52 N4 O8 S4 -","4","1","","Lennartson, Anders; Wiklund, Tove; Håkansson, Mikael","Concomitant formation of chiral and racemic crystals of a diaryl sulfide","CrystEngComm","2007","9","10","856","","10.1039/b709387j","","x-ray","0.71073","mokα","","0.0327","0.0298","","","0.078","0.0793","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203078","11.292","0.006","15.112","0.01","15.805","0.012","90","","90","","90","","2697","3","298.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 N4 O4 -","- C26 H31 N4 O4 -","- C104 H124 N16 O16 -","4","1","","Rajesh, B. M.; Iqbal, Javed; Babu, N. Jagadeesh; Nangia, Ashwini","Water mediated tube in tetrapeptide cyclo(Phe-Pro-Leu-Aha) trihydrate and crystal structure of cyclo(d-Phe-Pro-Leu-Aha) anhydrate","CrystEngComm","2007","9","10","860","","10.1039/b709700j","","","0.7107","MoKα","","","0.082","","","","0.097","","","","","","1.133","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203079","9.4493","0.0016","14.125","0.002","21.736","0.004","90","","90","","90","","2901.1","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclo(Phe-Pro-Leu-Aha)","","","- C26 H44 N4 O7 -","- C26 H44 N4 O7 -","- C104 H176 N16 O28 -","4","1","","Rajesh, B. M.; Iqbal, Javed; Babu, N. Jagadeesh; Nangia, Ashwini","Water mediated tube in tetrapeptide cyclo(Phe-Pro-Leu-Aha) trihydrate and crystal structure of cyclo(d-Phe-Pro-Leu-Aha) anhydrate","CrystEngComm","2007","9","10","860","","10.1039/b709700j","","","0.71073","MoKα","","0.0768","0.0665","","","0.1537","0.1596","","","","","","1.149","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""
"7203100","6.9095","0.0005","10.2699","0.0007","16.4105","0.0011","90","","90","","90","","1164.49","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C44 H52 N12 O12 -","4","1","","Goswami, Shyamaprosad; Jana, Subrata; Hazra, Anita; Fun, Hoong-Kun; Anjum, Shazia; Atta-ur-Rahman","Recognition of creatinine by weak aromatic acids in solid phase along with their supramolecular network","CrystEngComm","2006","8","9","712","718","10.1039/b609202k","","","0.71073","MoKα","","0.0473","0.0468","","","0.1258","0.1267","","","","","","1.057","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203164","8.2334","0.0014","12.283","0.002","33.625","0.005","90","","90","","90","","3400.5","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium hydrogen N-benzoyl-D-aspartate tetrahydrate","","- C34 H45 N3 O13 -","- C34 H45 N3 O13 -","- C136 H180 N12 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.1192","0.0776","","","0.1642","0.1882","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203165","7.8711","0.0008","12.4649","0.0012","33.044","0.003","90","","90","","90","","3242","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-benzoyl-D-asparaginate trihydrate","","- C34 H44 N4 O11 -","- C34 H44 N4 O11 -","- C136 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When in the presence of the strong hydrogen bonds, the weak hydrogen bonds gain an importance","CrystEngComm","2006","8","1","66","","10.1039/b515365d","","","0.71073","MoKα","","0.1489","0.0583","","","0.0722","0.0867","","","","","","1.005","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203262","5.2602","0.0004","9.29","0.001","16.674","0.003","90","","90","","90","","814.81","0.18","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Isopropyl-(R)-(-)-3,3-difluorolactate","","","- C6 H10 F2 O3 -","- C6 H10 F2 O3 -","- C24 H40 F8 O12 -","4","1","","Takahashi, Satoshi; Jukurogi, Tatsuya; Katagiri, Toshimasa; Uneyama, Kenji","Isomorphic supramolecular structures via one-dimensional hydrogen bonding motifs in crystals of chiral difluorolactates, trichlorolactates and trifluorolactates","CrystEngComm","2006","8","4","320","","10.1039/b600325g","","","0.71069","MoKα","","0.0346","0.0331","","","0.088","0.0888","","","","","","1.036","","","","has coordinates,has disorder","180363","2020-10-21","18:00:00",""
"7203305","6.121","0.002","7.073","0.003","45.3","0.02","90","","90","","90","","1961.2","1.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O3 -","- C21 H27 N O3 -","- C84 H108 N4 O12 -","4","1","","Xia, Wujiong; Yang, Chao; Scheffer, John R.; Patrick, Brian O.","Engineering acyclic alkyl aryl ketones for enantioselective Norrish/Yang type II photochemistry in the crystalline state","CrystEngComm","2006","8","5","388","","10.1039/b601903j","","","0.71073","MoKα","","0.1562","0.1381","","","0.3567","0.3664","","","","","","1.426","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203306","9.4944","0.0002","10.6542","0.0003","12.8614","0.0003","90","","90","","90","","1301","0.05","173","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Xia, Wujiong; Yang, Chao; Scheffer, John R.; Patrick, Brian O.","Engineering acyclic alkyl aryl ketones for enantioselective Norrish/Yang type II photochemistry in the crystalline state","CrystEngComm","2006","8","5","388","","10.1039/b601903j","","","0.71073","MoKα","","0.0681","0.0514","","","0.1243","0.1303","","","","","","1.126","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203358","7.988","0.001","8.998","0.001","9.029","0.001","90","","90","","90","","648.97","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Mn O6 -","- C4 H6 Mn O6 -","- C16 H24 Mn4 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.7107","MoKα","","0.0182","0.0176","","","0.0442","0.0444","","","","","","1.098","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203359","7.754","0.001","8.875","0.001","8.987","0.001","90","","90","","90","","618.46","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Co O6 -","- C4 H6 Co O6 -","- C16 H24 Co4 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.7107","MoKα","","0.0261","0.0227","","","0.0583","0.0605","","","","","","0.74","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203360","7.881","0.005","8.942","0.005","8.996","0.005","90","","90","","90","","634","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Co0.37 Mn0.63 O6 -","- C4 H6 Co0.37 Mn0.63 O6 -","- C16 H24 Co1.48 Mn2.52 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.0177","0.0174","","","0.0425","0.0426","","","","","","1.109","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203361","7.86","0.001","8.923","0.001","8.984","0.001","90","","90","","90","","630.09","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Fe O6 -","- C4 H6 Fe O6 -","- C16 H24 Fe4 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.7107","MoKα","","0.0257","0.0241","","","0.0617","0.0626","","","","","","1.061","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203362","7.902","0.005","8.942","0.005","9.053","0.005","90","","90","","90","","639.7","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Mn0.79 Ni0.21 O6 -","- C4 H6 Mn0.79 Ni0.21 O6 -","- C16 H24 Mn3.16 Ni0.84 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.0174","0.017","","","0.0478","0.048","","","","","","1.008","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203379","7.2224","0.0006","9.4647","0.0005","17.017","0.002","90","","90","","90","","1163.25","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 Cu O9 Rb2 -","- C6 H4 Cu O9 Rb2 -","- C24 H16 Cu4 O36 Rb8 -","4","1","","Fernando S. Delgado; Catalina Ruiz-Pérez; Joaquín Sanchiz; Francesc Lloret; Miguel Julve","Versatile supramolecular self-assembly. Part I. Network formation and magnetic behaviour of the alkaline salts of the bis(malonate)cuprate(<small>II</small>) anion","CrystEngComm","2006","8","7","507","","10.1039/b603374a","","x-ray","0.71073","Mokα","","0.0867","0.0498","","","0.0936","0.1037","","","","","","1.034","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203382","10.428","0.0012","12.394","0.0006","16.594","0.0019","90","","90","","90","","2144.7","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 F N Ni S6 -","- C20 H15 F N Ni S6 -","- C80 H60 F4 N4 Ni4 S24 -","4","1","","Belo, D.; Figueira, M. J.; Nunes, J. P. M.; Santos, I. C.; Pereira, L. C.; Gama, V.; Almeida, M.; Rovira, C.","Magnetic properties of RBzPy[Ni(?-tpdt)2] (R = H, Br, F): effects of cis?trans disorder","Journal of Materials Chemistry","2006","16","26","2746","","10.1039/b603443h","","","0.71073","MoKα","","0.0858","0.0584","","","0.1303","0.1402","","","","","","0.99","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203416","7.776","0.0008","11.0545","0.0011","56.587","0.006","90","","90","","90","","4864.2","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","distrychninium N-4-nitrobenzoyl-D-glutamate tetrahydrate","","- C54 H64 N6 O15 -","- C54 H64 N6 O15 -","- C216 H256 N24 O60 -","4","1","","Agata Białońska; Zbigniew Ciunik","Hydrophilic and hydrophobic pockets at surfaces of strychninium self-assemblies in pseudopolymorphous crystals of strychninium salts","CrystEngComm","2006","8","8","640","","10.1039/b605203g","","","1.5418","CuKα","","0.0796","0.0633","","","0.1539","0.1689","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203435","10.956","0.002","27.56","0.006","31.9","0.006","90","","90","","90","","9632","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C78 H82 N24 O18 Pr2 Ru3 -","- C78 H46 N24 O18 Pr2 Ru3 -","- C312 H184 N96 O72 Pr8 Ru12 -","4","1","","Baca, Svetlana G.; Adams, Harry; Ward, Michael D.","Three-component coordination networks based on [Ru(phen)(CN)4]2? anions, lanthanide(iii) cations and ancillary oligopyridine ligands","CrystEngComm","2006","8","8","635","","10.1039/b605990m","","","0.71073","MoKα","","0.062","0.0494","","","0.1396","0.1491","","","","","","1.076","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203469","7.6917","0.0015","7.7273","0.0015","20.524","0.004","90","","90","","90","","1219.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S-(beta)-phenethylammonium)trichloroplumbate(ii)","(S-(β)-phenethylammonium)trichloroplumbate(II)","","- C8 H12 Cl3 N Pb -","- C8 H12 Cl3 N Pb -","- C32 H48 Cl12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0279","0.0254","","","0.0609","0.0619","","","","","","1.049","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203470","7.9199","0.0011","8.1392","0.0011","20.555","0.003","90","","90","","90","","1325","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S-(beta)-phenethylammonium)tribromoplumbate(ii)","(S-(β)-phenethylammonium)tribromoplumbate(II)","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0389","0.0295","","","0.0648","0.0675","","","","","","1.011","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203471","8.0814","0.0012","8.6983","0.0013","21.337","0.003","90","","90","","90","","1499.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((R)-beta-phenethylammonium)triiodoplumbate(ii)","((R)-β-phenethylammonium)triiodoplumbate(II)","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0332","0.0276","","","0.0592","0.0608","","","","","","1.131","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203472","8.095","0.0012","8.7141","0.0013","21.368","0.003","90","","90","","90","","1507.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","((R)-beta-phenethylammonium)triiodoplumbate(ii)","((R)-β-phenethylammonium)triiodoplumbate(II)","","- C8 H12 I3 N Pb -","- C8 H12 I3 N Pb -","- C32 H48 I12 N4 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0382","0.0274","","","0.0542","0.0565","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203475","8.868","0.005","9.247","0.005","28.729","0.005","90","","90","","90","","2355.8","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis((R)-beta-phenethylammonium)tetraiodoplumbate(ii)","bis((R)-β-phenethylammonium)tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71069","MoKα","","0.0481","0.0405","","","0.083","0.0851","","","","","","1.174","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203476","8.8531","0.0017","9.2312","0.0018","28.65","0.006","90","","90","","90","","2341.4","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis((S)-beta-phenethylammonium)tetraiodoplumbate(ii)","bis((S)-β-phenethylammonium)tetraiodoplumbate(II)","","- C16 H24 I4 N2 Pb -","- C16 H24 I4 N2 Pb -","- C64 H96 I16 N8 Pb4 -","4","1","","Billing, David G.; Lemmerer, Andreas","Synthesis and crystal structures of inorganic?organic hybrids incorporating an aromatic amine with a chiral functional group","CrystEngComm","2006","8","9","686","","10.1039/b606987h","","","0.71073","MoKα","","0.0419","0.0316","","","0.0753","0.0776","","","","","","1.077","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203490","6.0884","0.0016","17.675","0.004","19.404","0.004","90","","90","","90","","2088.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0534","0.0404","","","0.0916","0.1007","","","","","","1.092","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203491","6.0982","0.0014","17.667","0.004","19.405","0.004","90","","90","","90","","2090.6","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.049","0.039","","","0.1016","0.1097","","","","","","1.039","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203492","6.1046","0.0013","17.656","0.004","19.423","0.004","90","","90","","90","","2093.5","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0513","0.0405","","","0.1059","0.1136","","","","","","1.022","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203493","6.1154","0.0013","17.642","0.004","19.443","0.004","90","","90","","90","","2097.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0566","0.045","","","0.1222","0.1319","","","","","","1.054","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203494","6.1363","0.0008","17.631","0.002","19.45","0.002","90","","90","","90","","2104.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0779","0.0546","","","0.1446","0.1615","","","","","","0.978","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203495","6.1416","0.001","17.622","0.003","19.468","0.003","90","","90","","90","","2107","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.0908","0.0626","","","0.1743","0.1967","","","","","","1.001","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203496","6.1508","0.0009","17.596","0.002","19.478","0.003","90","","90","","90","","2108.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1046","0.073","","","0.2058","0.2283","","","","","","0.976","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203497","6.1598","0.0009","17.563","0.002","19.5","0.003","90","","90","","90","","2109.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1242","0.0872","","","0.2509","0.2781","","","","","","0.994","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203498","6.1549","0.0009","17.572","0.002","19.491","0.003","90","","90","","90","","2108","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1156","0.08","","","0.232","0.2584","","","","","","1.011","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203499","6.1644","0.0009","17.546","0.003","19.52","0.003","90","","90","","90","","2111.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1373","0.0972","","","0.2748","0.3017","","","","","","1.012","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203500","6.1732","0.001","17.519","0.003","19.547","0.003","90","","90","","90","","2114","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.1688","0.1208","","","0.3245","0.3508","","","","","","1.122","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203501","6.1783","0.0012","17.515","0.003","19.569","0.003","90","","90","","90","","2117.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.2027","0.1412","","","0.3667","0.3968","","","","","","1.223","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203502","6.1916","0.0013","17.515","0.004","19.583","0.003","90","","90","","90","","2123.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O3 -","- C23 H31 N O3 -","- C92 H124 N4 O12 -","4","1","","Ilona Turowska-Tyrk; Julia Bąkowicz; John R. Scheffer; Wujiong Xia","Monitoring reaction centers and molecules during an enantioselective photoreaction in a crystal","CrystEngComm","2006","8","8","616","","10.1039/b607425a","","","0.71073","MoKα","","0.2394","0.163","","","0.4032","0.4348","","","","","","1.268","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203509","5.6782","0.0006","11.3687","0.0012","30.306","0.003","90","","90","","90","","1956.4","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B2 O6 -","- C20 H22 B2 O6 -","- C80 H88 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.1055","0.0618","","","0.1284","0.1472","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203510","10.2487","0.001","12.5428","0.0012","13.341","0.0013","90","","90","","90","","1715","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.0397","0.0355","","","0.083","0.0851","","","","","","1.156","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203511","10.475","0.003","12.572","0.004","13.554","0.004","90","","90","","90","","1784.9","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 B2 O6 -","- C18 H18 B2 O6 -","- C72 H72 B8 O24 -","4","1","","Chandran, Sreekanth K.; Nangia, Ashwini","Modulated crystal structure (Z? = 2) of ?-d-glucofuranose-1,2?3,5-bis(p-tolyl)boronate","CrystEngComm","2006","8","8","581","","10.1039/b608029d","","","0.71073","MoKα","","0.2943","0.1023","","","0.1824","0.2196","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203538","7.2597","0.0003","16.848","0.002","27.261","0.003","90","","90","","90","","3334.3","0.6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 F N O3 Pd -","- C40 H44 F N O3 Pd -","- C160 H176 F4 N4 O12 Pd4 -","4","1","","Viorel Cîrcu; Timothy J. K. Gibbs; Laurent Omnès; Peter N. Horton; Michael B. Hursthouse; Duncan W. Bruce","Orthometallated palladium(<small>II</small>) imine complexes as candidate materials for the biaxial nematic phase. Crystal and molecular structure of three palladium imine complexes","Journal of Materials Chemistry","2006","16","44","4316","","10.1039/b608823f","","","0.71073","MoKα","","0.0258","0.0232","","","0.0528","0.0537","","","","","","1.039","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203658","13.045","0.0002","13.718","0.0002","17.847","0.0003","90","","90","","90","","3193.74","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N3 O4 S -","- C12 H23 N3 O4 S -","- C96 H184 N24 O32 S8 -","8","2","","Burke, Nichola J.; Burrows, Andrew D.; Mahon, Mary F.; Warren, John E.","Structural manipulation through control of hydrogen bonding faces: the effects of cation substitution on the guanidinium sulfonate structure","CrystEngComm","2006","8","12","931","","10.1039/b612883a","","","0.71073","MoKα","","0.0963","0.0785","","","0.2162","0.2357","","","","","","1.074","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203674","11.923","0.002","12.551","0.002","25.711","0.005","90","","90","","90","","3847.5","1.2","175","2","175","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H62 Al3 F O9 S -","- C26 H62 Al3 F O9 S -","- C104 H248 Al12 F4 O36 S4 -","4","1","","Stephan K. Ruediger; Udo Groß; Michael Feist; Hillary A. Prescott; S. Chandra Shekar; Sergey I. Troyanov; Erhard Kemnitz","Non-aqueous synthesis of high surface area aluminium fluoride-a mechanistic investigation","Journal of Materials Chemistry","2005","15","5","588","","10.1039/b411457d","","","0.71073","MoKα","","0.0539","0.0365","","","0.0774","0.0815","","","","","","0.795","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203699","9.0886","0.0002","10.0348","0.0001","16.761","0.0003","90","","90","","90","","1528.64","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N,N'-bis(2-hydroxyethyl)ferrocene 1,1-dicarboxamide","N,N'-bis(2-hydroxyethyl)ferrocene 1,1-dicarboxamide","","- C16 H20 Fe N2 O4 -","- C16 H20 Fe N2 O4 -","- C64 H80 Fe4 N8 O16 -","4","1","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0196","0.0191","","","0.0499","0.0502","","","","","","1.067","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203732","8.7687","0.0017","8.9641","0.0018","44.959","0.009","90","","90","","90","","3533.9","1.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 F12 N6 Ni O P2 -","- C33 H28 F12 N6 Ni O P2 -","- C132 H112 F48 N24 Ni4 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering grids of metal complexes: development of the 2D M(terpy)2 embrace motif in crystals","CrystEngComm","2005","7","35","216","","10.1039/b500289c","","","0.71073","MoKα","","0.0754","0.074","","","0.1807","0.1816","","","","","","1.161","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203737","8.774","0.003","8.871","0.002","38.795","0.009","90","","90","","90","","3019.6","1.4","294","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 B2 F8 N6 Ni O2 -","- C30 H20 B2 F8 N6 Ni O2 -","- C120 H80 B8 F32 N24 Ni4 O8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.046","","","","0.058","","","","","","1.97","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203742","6.6875","0.0006","12.1818","0.0012","12.3924","0.0012","90","","90","","90","","1009.56","0.17","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Ganguly, Nemai C.; Datta, Mrityunjoy; Ghosh, Kumaresh; Bond, Andrew D.","Non-bonded O?S contacts and O?H?S hydrogen bonds in isomeric hydroxyphenyl-1,3-dithianes","CrystEngComm","2005","7","34","210","","10.1039/b501481f","","","0.71073","MoKα","","0.0233","0.022","","","0.058","0.0585","","","","","","1.089","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203749","10.815","0.002","9.4999","0.0019","35.478","0.007","90","","90","","90","","3645.1","1.2","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-dihydrate-methanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- dihydrate-methanol","","- C41 H41 Ag N2 O7 -","- C41 H41 Ag N2 O7 -","- C164 H164 Ag4 N8 O28 -","4","1","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn‒)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.0669","0.0368","","","0.064","0.0707","","","","","","0.935","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203797","11.4009","0.0007","15.0341","0.0009","22.2413","0.0013","90","","90","","90","","3812.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 N O2 -","- C20 H31 N O2 -","- C160 H248 N8 O16 -","8","2","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.0376","0.0344","","","0.0959","0.1001","","","","","","1.114","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203803","5.7589","0.0008","18.08","0.003","20.055","0.003","90","","90","","90","","2088.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N2 O4 -","- C21 H30 N2 O4 -","- C84 H120 N8 O16 -","4","1","","Trivedi, Darshak R.; Ballabh, Amar; Dastidar, Parthasarathi","Facile preparation and structure‒property correlation of low molecular mass organic gelators derived from simple organic salts","Journal of Materials Chemistry","2005","15","26","2606","","10.1039/b504969e","","","0.71073","MoKα","","0.1238","0.0613","","","0.0958","0.1102","","","","","","0.945","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203842","8.1677","0.0013","8.4673","0.0015","27.674","0.005","90","","90","","90","","1913.9","0.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 O2 S7 -","- C18 H14 O2 S7 -","- C72 H56 O8 S28 -","4","1","","Spencer, Howard J.; Skabara, Peter J.; Giles, Mark; McCulloch, Iain; Coles, Simon J.; Hursthouse, Michael B.","The first direct experimental comparison between the hugely contrasting properties of PEDOT and the all-sulfur analogue PEDTT by analogy with well-defined EDTT‒EDOT copolymers","Journal of Materials Chemistry","2005","15","45","4783","","10.1039/b511075k","","","0.71073","MoKα","","0.0986","0.071","","","0.1402","0.1501","","","","","","1.124","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203855","4.7487","0.0007","5.9711","0.0009","17.017","0.003","90","","90","","90","","482.52","0.13","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N,N-Dimethylthioformamide","","","- C3 H7 N S -","- C3 H7 N S -","- C12 H28 N4 S4 -","4","1","","Borrmann, Horst; Persson, Ingmar; Sandström, Magnus; Stlhandske, Christina M. V.","The crystal and liquid structures of N,N-dimethylthioformamide and N,N-dimethylformamide showing a stronger hydrogen bonding effect for C‒H · · · S than for C‒H · · · O †","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","393","","10.1039/a904531g","","","0.56086","AgKα","","0.0223","0.0195","","","0.0463","0.0468","","","","","","0.952","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203857","13.288","0.004","27.298","0.005","6.235","0.006","90","","90","","90","","2262","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O6 -","- C21 H32 N2 O6 -","- C84 H128 N8 O24 -","4","1","","Kozsda-Kovács, Éva; Keserü, György Miklós; Böcskei, Zsolt; Szilágyi, Ildikó; Simon, Kálmán; Bertók, Béla; Fogassy, Elemér","Role of the solvent in optical resolution of trans-chrysanthemic acid via diastereomeric salt formation with (1R,2R)-1-(4-nitrophenyl)-2-dimethylaminopropane-1,3-diol","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","149","","10.1039/a904682h","","","1.54178","CuKα","","0.1175","0.0562","","0.1918","0.1502","","","","1.064","1.173","1.173","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203858","13.209","0.018","26.587","0.021","7.218","0.021","90","","90","","90","","2535","8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N2 O7 -","- C22 H36 N2 O7 -","- C88 H144 N8 O28 -","4","1","","Kozsda-Kovács, Éva; Keserü, György Miklós; Böcskei, Zsolt; Szilágyi, Ildikó; Simon, Kálmán; Bertók, Béla; Fogassy, Elemér","Role of the solvent in optical resolution of trans-chrysanthemic acid via diastereomeric salt formation with (1R,2R)-1-(4-nitrophenyl)-2-dimethylaminopropane-1,3-diol","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","149","","10.1039/a904682h","","","1.54178","CuKα","","0.3433","0.0628","","0.2161","0.1021","","","","1.094","1.416","1.416","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203878","17.646","0.002","23.396","0.003","11.5285","0.0009","90","","90","","90","","4759.5","0.9","294.2","","294.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H70 N8 O12 -","- C38 H66 N8 O12 -","- C152 H264 N32 O48 -","4","1","","Cusack, Rodney M.; Grøndahl, Lisbeth; Abbenante, Giovanni; Fairlie, David P.; Gahan, Lawrence R.; Hanson, Graeme R.; Hambley, Trevor W.","Conformations of cyclic octapeptides and the influence of heterocyclic ring constraints upon calcium binding †","Journal of the Chemical Society, Perkin Transactions 2","2000","","2","323","","10.1039/a906090a","","","1.5418","CuKα","","0.0467","0.0467","","0.0441","0.0441","","","","1.901","1.901","1.901","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7203885","9.229","0.0018","9.6725","0.0018","18.7","0.003","90","","90","","90","","1669.3","0.5","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Moisés Canle L.; William Clegg; Ibrahim Demirtas; Mark R. J. Elsegood; Howard Maskill","Preparations, X-ray crystal structure determinations, and base strength measurements of substituted tritylamines","J. Chem. Soc., Perkin Trans. 2","2000","","1","85","92","10.1039/a906755h","","","0.71073","MoKα","","0.0976","0.0598","","","0.1385","0.1575","","","","","","1.035","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7203910","10.337","0.002","15.297","0.0013","17.389","0.0006","90","","90","","90","","2749.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N-[(2-Triphenylarsoniobenzylidene)]-1-amino-4-methoxybenzene iodide","","- C32 H27 As I N O -","- C32 H27 As I N O -","- C128 H108 As4 I4 N4 O4 -","4","1","","Allen, David W.; Mifflin, Joanne P.; Hursthouse, Michael B.; Coles, Simon; Hibbs, David E.; Malik, K. M. Abdul","A copper(i)-catalysed template synthesis of aryl-arsonium and -stibonium systems. Solvatochromic tetraaryl-arsonium and -stibonium iminophenolate betaines","Journal of Materials Chemistry","2000","10","2","457","","10.1039/a907699i","","","0.71069","MoKα","","0.0391","0.0326","","0.0766","0.0754","","","","0.881","0.947","0.947","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203931","6.7596","0.0007","8.7092","0.001","26.1866","0.0019","90","","90","","90","","1541.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Cl N O6 -","- C12 H18 Cl N O6 -","- C48 H72 Cl4 N4 O24 -","4","1","","Hall, Adrian; Bailey, Patrick D.; Rees, David C.; Rosair, Georgina M.; Wightman, Richard H.","α-Chloronitroso compounds derived from carbohydrate ketones: cycloadditions with cyclic dienes, a synthesis of (−)-physoperuvine and a formal synthesis of (+)-epibatidine","Journal of the Chemical Society, Perkin Transactions 1","2000","","3","329","","10.1039/a908333b","","","0.71073","MoKα","","0.1161","0.0562","","","0.1194","0.1478","","","","","","1.006","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203932","9.92","0.001","10.103","0.001","25.963","0.002","90","","90","","90","","2602.1","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 Cl N O5 Si -","- C24 H30 Cl N O5 Si -","- C96 H120 Cl4 N4 O20 Si4 -","4","1","","Hall, Adrian; Bailey, Patrick D.; Rees, David C.; Rosair, Georgina M.; Wightman, Richard H.","α-Chloronitroso compounds derived from carbohydrate ketones: cycloadditions with cyclic dienes, a synthesis of (−)-physoperuvine and a formal synthesis of (+)-epibatidine","Journal of the Chemical Society, Perkin Transactions 1","2000","","3","329","","10.1039/a908333b","","","0.71073","MoKα","","0.1265","0.0582","","","0.0972","0.1201","","","","","","1.011","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203933","10.005","0.001","12.53","0.001","23.255","0.002","90","","90","","90","","2915.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 Cl N O5 Si -","- C29 H36 Cl N O5 Si -","- C116 H144 Cl4 N4 O20 Si4 -","4","1","","Hall, Adrian; Bailey, Patrick D.; Rees, David C.; Rosair, Georgina M.; Wightman, Richard H.","α-Chloronitroso compounds derived from carbohydrate ketones: cycloadditions with cyclic dienes, a synthesis of (−)-physoperuvine and a formal synthesis of (+)-epibatidine","Journal of the Chemical Society, Perkin Transactions 1","2000","","3","329","","10.1039/a908333b","","","0.71073","MoKα","","0.2034","0.0677","","","0.1042","0.1465","","","","","","0.978","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203936","10.032","0.002","10.9","0.002","24.779","0.005","90","","90","","90","","2709.6","0.9","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Kendomycin","","","- C29 H42 O6 -","- C29 H42 O6 -","- C116 H168 O24 -","4","1","","Bode, Helge B.; Zeeck, Axel","Structure and biosynthesis of kendomycin, a carbocyclic ansa-compound from Streptomyces","Journal of the Chemical Society, Perkin Transactions 1","2000","","3","323","","10.1039/a908387a","","","0.71073","MoKα","","0.0655","0.0441","","","0.0864","0.0925","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203944","7.046","0.001","7.204","0.001","31.591","0.004","90","","90","","90","","1603.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ro 67-3926","3-Hydroxy-2-hydroxymethyl-10-phenyl-2,3,9,10-tetrahydro-1- oxa-9-aza-anthrazen-4-one","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Scheffler, Götz; Montavon, Francois; Hennig, Michael; Wessel, Hans Peter","Carbohydrate α-oxoketene N,O-ketals in the synthesis of dihydroquinolines","Journal of the Chemical Society, Perkin Transactions 1","2000","","5","753","","10.1039/a908806g","","","1.54178","CuKα","","0.057","0.0559","","","0.1519","0.1529","","","","","","1.137","","","","has coordinates,has disorder","180370","2020-10-21","18:00:00",""
"7203958","12.432","0.001","12.893","0.001","22.148","0.002","90","","90","","90","","3550.01","","160","","0","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 N4 O2 -","- C42 H42 N4 O2 -","- C168 H168 N16 O8 -","4","1","","Averseng, Frédéric; Lacroix, Pascal G.; Malfant, Isabelle; Dahan, Françoise; Nakatani, Keitaro","Synthesis, crystal structure and solid state NLO properties of a new chiral bis(salicylaldiminato)nickel(ii) Schiff-base complex in a nearly optimized solid state environment","Journal of Materials Chemistry","2000","10","4","1013","","10.1039/a910244m","","","0.71073","MoKα","","","0.0913","","","0.08","","","","","1.1412","1.1412","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203960","12.9998","0.001","16.1021","0.0016","36.377","0.003","90","","90","","90","","7614.58","","180","","180","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C88 H88 N8 Ni3 O9 -","- C88 H88 N8 Ni3 O9 -","- C352 H352 N32 Ni12 O36 -","4","1","","Averseng, Frédéric; Lacroix, Pascal G.; Malfant, Isabelle; Dahan, Françoise; Nakatani, Keitaro","Synthesis, crystal structure and solid state NLO properties of a new chiral bis(salicylaldiminato)nickel(ii) Schiff-base complex in a nearly optimized solid state environment","Journal of Materials Chemistry","2000","10","4","1013","","10.1039/a910244m","","","0.71073","MoKα","","0.1035","0.0776","","","0.1862","0.208","","","","","","1.025","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203978","12.783","0.002","28.839","0.005","7.3919","0.0009","90","","90","","90","","2725","0.7","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 Cu2 N2 O8 -","- C26 H34 Cu2 N2 O8 -","- C104 H136 Cu8 N8 O32 -","4","1","","Royles, Brodyck J. L.; Sherrington, David C.","Mainchain optically active vinyl copolymers via transition metal complex-templated asymmetric free radical polymerisation","Journal of Materials Chemistry","2000","10","9","2035","","10.1039/b003007o","","","0.61079","","","0.0684","0.0375","","","0.089","0.0981","","","","","","1.026","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7204030","13.167","0.002","13.969","0.006","14.443","0.003","90","","90","","90","","2656.5","1.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 S2 -","- C13 H16 N O2 S2 -","- C104 H128 N8 O16 S16 -","8","2","","Blake, Alexander J.; Bruce, Duncan W.; Danks, Jonathan P.; Fallis, Ian A.; Guillon, Daniel; Ross, Steven A.; Richtzenhain, Heiko; Schröder, Martin","Formation of columnar hexagonal mesophases near room temperature from functionalised [9]aneNS2 (1,4-dithia-7-azacyclononane)","Journal of Materials Chemistry","2001","11","4","1011","","10.1039/b006753i","","","0.71073","MoKα","","0.075","0.0574","","0.187","0.1545","","","","1.066","0.951","0.951","","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204086","10.0245","0.0003","12.7797","0.0004","19.037","0.0003","90","","90","","90","","2438.83","0.11","173","0.2","173","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 B N3 -","- C29 H28 B N3 -","- C116 H112 B4 N12 -","4","1","","Kiviniemi, Sari; Nissinen, Maija; Alaviuhkola, Terhi; Rissanen, Kari; Pursiainen, Jouni","The complexation of tetraphenylborate with organic N-heteroaromatic cations","Journal of the Chemical Society, Perkin Transactions 2","2001","","12","2364","","10.1039/b100775k","","","0.71073","MoKα","","0.0461","0.0423","","","0.1102","0.1127","","","","","","1.055","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204172","9.53","0.0001","11.075","0.0001","39.422","0.0003","90","","90","","90","","4160.79","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2'-deoxy-3',5'-O-bis(tert-butyldiphenylsilyl)-guanosine","","- C42 H49 N5 O4 Si2 -","- C42 H49 N5 O4 Si2 -","- C168 H196 N20 O16 Si8 -","4","1","","Takafumi Sato; Masayuki Seko; Ryoichi Takasawa; Isao Yoshikawa; Koji Araki","Mesoscopic-scale sheet-like assembly: critical role of inter-tape hydrogen bonds in the organogel formation and gel‒liquid crystal transition of an alkylsilylated deoxyguanosine‒dodecane system","J. Mater. Chem.","","11","12","3018","3022","10.1039/b105000c","","","1.54184","CuKα","","0.0658","0.0637","","","0.1776","0.1885","","","","","","1.044","","","","has coordinates","213974","2020-10-21","18:00:00",""
"7204183","5.3164","0.0003","11.9673","0.0007","20.8468","0.0012","90","","90","","90","","1326.33","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Allin, Steven M.; James, Stella L.; Martin, William P.; Smith, Timothy A. D.; Elsegood, Mark R. J.","Stereoselective synthesis of the pyrroloisoquinoline ring system","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3029","","10.1039/b105402n","","","0.71073","MoKα","","0.0394","0.0333","","","0.0798","0.0835","","","","","","1.029","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204186","7.5509","0.0007","7.9475","0.0008","23.423","0.002","90","","90","","90","","1405.6","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 O S -","- C15 H26 O S -","- C60 H104 O4 S4 -","4","1","","Varinder K. Aggarwal; Rémy Angelaud; Dominique Bihan; Paul Blackburn; Robin Fieldhouse; Silvia J. Fonquerna; Gair D. Ford; George Hynd; Elfyn Jones; Ray V. H. Jones; Philippe Jubault; Matthew J. Palmer; Paul D. Ratcliffe; Harry Adams","Synthesis and evaluation of a broad range of chiral sulfides for asymmetric sulfur ylide epoxidation of aldehydes","J. Chem. Soc., Perkin Trans. 1","2001","","20","2604","2622","10.1039/b105416n","","","0.71073","MoKα","","0.0481","0.0453","","","0.1138","0.116","","","","","","1.072","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204187","5.2525","0.0019","10.029","0.004","17.826","0.007","90","","90","","90","","939","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 O3 S -","- C8 H14 O3 S -","- C32 H56 O12 S4 -","4","1","","Varinder K. Aggarwal; Rémy Angelaud; Dominique Bihan; Paul Blackburn; Robin Fieldhouse; Silvia J. Fonquerna; Gair D. Ford; George Hynd; Elfyn Jones; Ray V. H. Jones; Philippe Jubault; Matthew J. Palmer; Paul D. Ratcliffe; Harry Adams","Synthesis and evaluation of a broad range of chiral sulfides for asymmetric sulfur ylide epoxidation of aldehydes","J. Chem. Soc., Perkin Trans. 1","2001","","20","2604","2622","10.1039/b105416n","","","0.71073","MoKα","","0.0709","0.0638","","","0.1515","0.1577","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204197","6.6312","0.0005","7.6519","0.0006","16.3025","0.0013","90","","90","","90","","827.21","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N,N-dimetyl-benzamide","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Karlsen, Hege; Kolsaker, Per; Rømming, Christian; Uggerud, Einar","The analogy between CO and C(CN)2. Part 2.1 Structural properties of N,N-dialkylaminobenzamides and the analogously substituted 2-(phenylmethylene)propanedinitriles","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","404","","10.1039/b105532c","","","0.71073","MoKα","","0.0462","0.0399","","","0.103","0.1092","","","","","","1.138","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204199","11.315","0.003","14.21","0.002","17.368","0.005","90","","90","","90","","2792.5","1.2","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N3 O7 -","- C31 H29 N3 O7 -","- C124 H116 N12 O28 -","4","1","","Abdullah G. Al-Sehemi; Robert S. Atkinson; John Fawcett","Kinetic resolution of amines with enantiopure 3-N,N-diacylaminoquinazolin-4(3H)-ones","J. Chem. Soc., Perkin Trans. 1","2002","","2","257","274","10.1039/b105917n","","","0.71073","MoKα","","0.0784","0.0537","","","0.127","0.1462","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204201","8.889","0.002","11.391","0.002","23.399","0.004","90","","90","","90","","2369.3","0.8","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N3 O3 Si -","- C23 H29 N3 O3 Si -","- C92 H116 N12 O12 Si4 -","4","1","","Abdullah G. Al-Sehemi; Robert S. Atkinson; John Fawcett","Kinetic resolution of amines with enantiopure 3-N,N-diacylaminoquinazolin-4(3H)-ones","J. Chem. Soc., Perkin Trans. 1","2002","","2","257","274","10.1039/b105917n","","","0.71073","MoKα","","0.0867","0.0537","","0.1387","0.1186","","","","0.955","0.991","0.991","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204203","9.28","0.002","14.826","0.001","18.246","0.002","90","","90","","90","","2510.4","0.6","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N3 O5 -","- C28 H25 N3 O5 -","- C112 H100 N12 O20 -","4","1","","Abdullah G. Al-Sehemi; Robert S. Atkinson; John Fawcett","Kinetic resolution of amines with enantiopure 3-N,N-diacylaminoquinazolin-4(3H)-ones","J. Chem. Soc., Perkin Trans. 1","2002","","2","257","274","10.1039/b105917n","","","0.71073","MoKα","","0.1188","0.0588","","","0.118","0.1444","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204224","7.1353","0.0005","11.6238","0.0005","15.9011","0.0012","90","","90","","90","","1318.83","0.15","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Zn(PT)1.2(MTT)0.8(H2O)","(1-hydroxy-2(1H)-pyridinethiolato-S2,O) (3-hydroxy-4-methyl-2(3H)-thiazolethiolate-S2,O)zinc(II) hydrate","","- C9.2 H10 N2 O3 S2.8 Zn -","- C9.2 H10 N2 O3 S2.8 Zn -","- C36.8 H40 N8 O12 S11.2 Zn4 -","4","1","","Bond, Andrew D.; Benevelli, Francesca; Jones, William","Modification of the solid-state structure of bis(1-hydroxy-2(1H)-pyridinethiolato-S2,O)zinc(ii): synthesis and characterisation of a molecular solid solution incorporating 3-hydroxy-4-methyl-2(3H)-thiazolethioneElectronic supplementary information (ESI) available: lists of reflection indices and refined lattice parameters from the PXRD profiles of the single phase Zn(PT)x(MTT)2 ‒ x(H2O) products (Fig. 4). See http://www.rsc.org/suppdata/jm/b1/b106734f/","Journal of Materials Chemistry","2002","12","2","324","","10.1039/b106734f","","","0.71073","MoKα","","0.0305","0.0273","","","0.0553","0.0566","","","","","","1.088","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204229","5.9721","0.0003","8.5759","0.0004","30.5762","0.0009","90","","90","","90","","1565.99","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N -","- C19 H21 N -","- C76 H84 N4 -","4","1","","Marcello Nicoletti; David O'Hagan; Alexandra M. Z. Slawin","The asymmetric Bischler‒Napieralski reaction: preparation of 1,3,4-trisubstituted 1,2,3,4-tetrahydroisoquinolines","J. Chem. Soc., Perkin Trans. 1","2002","","1","116","121","10.1039/b106942j","","","0.71073","MoKα","","0.0474","0.0344","","","0.0647","0.0678","","","","","","0.872","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204230","9.4794","0.0003","10.2277","0.0003","19.5795","0.0004","90","","90","","90","","1898.28","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N -","- C24 H23 N -","- C96 H92 N4 -","4","1","","Marcello Nicoletti; David O'Hagan; Alexandra M. Z. Slawin","The asymmetric Bischler‒Napieralski reaction: preparation of 1,3,4-trisubstituted 1,2,3,4-tetrahydroisoquinolines","J. Chem. Soc., Perkin Trans. 1","2002","","1","116","121","10.1039/b106942j","","","0.71073","MoKα","","0.0742","0.046","","","0.0776","0.0869","","","","","","0.957","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204234","10.514","0.002","28.46","0.002","5.86","0.002","90","","90","","90","","1753.5","0.7","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mpc","Macrosphelide C","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Aggarwal, Varinder K.; Charmant, Jonathan P. H.; Ciampi, Cinzia; Hornby, Jonathan M.; O'Brien, Christopher J.; Hynd, George; Parsons, Richard","Additions of stabilised and semi-stabilised sulfur ylides to tosyl protected imines: are they under kinetic or thermodynamic control?","Journal of the Chemical Society, Perkin Transactions 1","2001","","23","3159","","10.1039/b107275g","","","1.5418","CuKα","","0.0532","0.0437","","","0.1055","0.1135","","","","","","1.06","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204240","8.9765","0.0003","14.6975","0.0004","19.6627","0.0006","90","","90","","90","","2594.14","0.14","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 B3 N3 O3 -","- C27 H36 B3 N3 O3 -","- C108 H144 B12 N12 O12 -","4","1","","Jens Chr. Norrild; Inger Søtofte","Design, synthesis and structure of new potential electrochemically active boronic acid-based glucose sensors","J. Chem. Soc., Perkin Trans. 2","2002","","2","303","311","10.1039/b107457a","","","0.71073","MoKα","","0.0952","0.0592","","0.126","0.1036","","","","1.193","1.153","1.153","","","","","has coordinates","180373","2020-10-21","18:00:00",""
"7204242","11.8436","0.0006","12.9482","0.0006","16.3048","0.0008","90","","90","","90","","2500.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","spirocaesalmin","","","- C25 H34 O10 -","- C25 H34 O10 -","- C100 H136 O40 -","4","1","","Jiang, Ren-Wang; Ma, Shuang-Cheng; But, Paul P. H.; Mak, Thomas C. W.","Isolation and characterization of spirocaesalmin, a novel rearranged vouacapane diterpenoid from Caesalpinia minax Hance","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","2920","","10.1039/b107473n","","","0.71073","MoKα","","0.0645","0.0391","","","0.0838","0.0944","","","","","","0.958","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204252","13.151","0.003","21.506","0.003","7.204","0.003","90","","90","","90","","2037.5","1","299.2","","299.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 I N O2 Si -","- C16 H30 I N O2 Si -","- C64 H120 I4 N4 O8 Si4 -","4","1","","Christine E. Elliott; David O. Miller; D. Jean Burnell","Synthesis of 6-alkyl analogues of the 1-azabicyclo[4.3.0]nonan-2-one system by a strategy of geminal acylation and Beckmann rearrangement","J. Chem. Soc., Perkin Trans. 1","2002","","2","217","226","10.1039/b108164k","","","0.7107","MoKα","","0.1281","0.044","","0.054","","0.045","","","1.407","","","1.67","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204266","10.8222","0.0014","11.509","0.002","17.707","0.002","90","","90","","90","","2205.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 Cr O6 -","- C24 H20 Cr O6 -","- C96 H80 Cr4 O24 -","4","1","","Yen-Ling Tan; Andrew J. P. White; David A. Widdowson; René Wilhelm; David J. Williams","Dilithiation of arenetricarbonylchromium(0) complexes with enantioselective quench: application to chiral biaryl synthesis","J. Chem. Soc., Perkin Trans. 1","2001","","24","3269","3280","10.1039/b108807f","","","0.71073","MoKα","","0.0442","0.0383","","0.094","0.0899","","","","1.032","1.048","1.048","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204271","9.483","0.0003","13.984","0.0004","23.239","0.0006","90","","90","","90","","3081.73","0.15","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H43 O6 P -","- C31 H43 O6 P -","- C124 H172 O24 P4 -","4","1","","Ryukichi Takagi; Miki Hashizume; Minoru Nakamura; Shahnaz Begum; Yoshikazu Hiraga; Satoshi Kojima; Katsuo Ohkata","Stereochemical considerations on the stereoselective cyclopropanation reactions of 3-aryl-2-phosphonoacrylates induced by the (−)-8-phenylmenthyl group as a chiral auxiliary","J. Chem. Soc., Perkin Trans. 1","2002","","2","179","190","10.1039/b108925k","","","0.7107","MoKα","","","0.0805","","","","0.1477","","","","","","1.491","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204288","15.26","0.002","16.228","0.002","13.263","0.002","90","","90","","90","","3284.4","0.8","295.2","","295.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 O3 -","- C42 H38 O3 -","- C168 H152 O12 -","4","1","","Koshiishi, Eiji; Hattori, Tetsutaro; Ichihara, Naoki; Miyano, Sotaro","7-Mesityl-2,2-dimethylindan-1-ol: a novel alcohol which serves as both a chiral auxiliary and a protective group for carboxy functions","Journal of the Chemical Society, Perkin Transactions 1","2002","","3","377","","10.1039/b109396g","","","0.7107","MoKα","","","0.0329","","","0.0291","","","","","1.677","1.677","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204313","10.297","0.0012","10.7861","0.0012","21.258","0.002","90","","90","","90","","2361","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H40 O6 Zr -","- C18 H40 O6 Zr -","- C72 H160 O24 Zr4 -","4","1","","Williams, Paul A.; Roberts, John L.; Jones, Anthony C.; Chalker, Paul R.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.","Novel mononuclear zirconium and hafnium alkoxides; improved precursors for the MOCVD of ZrO2 and HfO2","Journal of Materials Chemistry","2002","12","2","165","","10.1039/b109994a","","","0.71073","MoKα","","0.0452","0.0389","","","0.099","0.103","","","","","","0.728","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204314","10.1972","0.0008","10.7413","0.0008","21.3221","0.0017","90","","90","","90","","2335.4","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H40 Hf O6 -","- C18 H40 Hf O6 -","- C72 H160 Hf4 O24 -","4","1","","Williams, Paul A.; Roberts, John L.; Jones, Anthony C.; Chalker, Paul R.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.","Novel mononuclear zirconium and hafnium alkoxides; improved precursors for the MOCVD of ZrO2 and HfO2","Journal of Materials Chemistry","2002","12","2","165","","10.1039/b109994a","","","0.71073","MoKα","","0.0254","0.0247","","","0.0606","0.0609","","","","","","1.077","","","","has coordinates,has disorder","180374","2020-10-21","18:00:00",""
"7204331","9.975","0.002","11.266","0.002","19.208","0.004","90","","90","","90","","2158.6","0.7","95","2","95","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(3,3-dimethyl-2-oxo-1-(oxomethylene)butyl)-2,6-di-tert-butyl- -5-methoxycarbonyl-1,3-dioxin-4(2H)-one","","- C21 H30 O7 -","- C21 H30 O7 -","- C84 H120 O28 -","4","1","","Wallfisch, Bianca C.; Belaj, Ferdinand; Wentrup, Curt; Kappe, C. Oliver; Kollenz, Gert","Synthesis and chemical reactivity of methoxycarbonyl-1,3-dioxinyl(pivaloyl)ketene—a persistent α-oxoketene","Journal of the Chemical Society, Perkin Transactions 1","2002","","5","599","","10.1039/b111143d","","","0.71069","MoKα","","0.042","0.0359","","","0.0809","0.085","","","","","","1.052","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204333","9.885","0.003","16.338","0.005","17.537","0.005","90","","90","","90","","2832.2","1.5","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R,R-2-(1-Isopropyl-4-(isopropylimino)-2-oxo-3-pivaloylazetidin -3-yl)-2,6-di-tert-butyl-5-methoxycarbonyl-1,3-dioxin-4(2H)-one","","- C28 H44 N2 O7 -","- C28 H44 N2 O7 -","- C112 H176 N8 O28 -","4","1","","Wallfisch, Bianca C.; Belaj, Ferdinand; Wentrup, Curt; Kappe, C. Oliver; Kollenz, Gert","Synthesis and chemical reactivity of methoxycarbonyl-1,3-dioxinyl(pivaloyl)ketene—a persistent α-oxoketene","Journal of the Chemical Society, Perkin Transactions 1","2002","","5","599","","10.1039/b111143d","","","0.71069","MoKα","","0.0477","0.04","","","0.0861","0.0915","","","","","","1.042","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204343","10.156","0.002","13.194","0.002","33.401","0.007","90","","90","","90","","4475.7","1.5","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1,4-bis-N'-{(R)-N-(a-methylbenzyl)acetamide}-1,4,7,10- tetraazacycldodecane diaqua europium(III) tris(trifrluoromethylsulfonate)","","- C31 H46 Eu F9 N6 O13 S3 -","- C31 H46 Eu F9 N6 O13 S3 -","- C124 H184 Eu4 F36 N24 O52 S12 -","4","1","","Batsanov, Andrei S.; Bruce, James I.; Ganesh, Thota; Low, Paul J.; Kataky, Ritu; Puschmann, Horst; Steel, Patrick G.","Synthesis, characterisation and application of lanthanide cyclen complexes in organic synthesis","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","932","","10.1039/b111628b","","","0.71073","MoKα","","0.0309","0.0292","","","0.0622","0.0626","","","","","","1.149","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204344","10.143","0.001","13.171","0.002","33.28","0.004","90","","90","","90","","4446","1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1,4-bis-N'-{(R)-N-(a-methylbenzyl)acetamide}-1,4,7,10- tetraazacycldodecane diaqua samarium(III) tris(trifrluoromethylsulfonate)","","- C31 H46 F9 N6 O13 S3 Sm -","- C31 H46 F9 N6 O13 S3 Sm -","- C124 H184 F36 N24 O52 S12 Sm4 -","4","1","","Batsanov, Andrei S.; Bruce, James I.; Ganesh, Thota; Low, Paul J.; Kataky, Ritu; Puschmann, Horst; Steel, Patrick G.","Synthesis, characterisation and application of lanthanide cyclen complexes in organic synthesis","Journal of the Chemical Society, Perkin Transactions 1","2002","","7","932","","10.1039/b111628b","","","0.71073","MoKα","","0.0418","0.0367","","","0.0664","0.0679","","","","","","1.169","","","","has coordinates","180374","2020-10-21","18:00:00",""
"7204349","12.0964","0.0014","13.5239","0.0015","16.1906","0.0019","90","","90","","90","","2648.6","0.5","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H20 Br2 Cl2 O2 -","- C31 H20 Br2 Cl2 O2 -","- C124 H80 Br8 Cl8 O8 -","4","1","","Tanaka, Koichi; Harada, Naoyuki","A novel spiroketalization reaction of 1,7-dihydroxyhepta-2,5-diyn-4-ones","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","713","","10.1039/b200215a","","","0.71073","MoKα","","0.0276","0.0215","","","0.0327","0.0332","","","","","","0.79","","","","has coordinates","275180","2022-05-07","01:18:17",""
"7204350","10.072","0.002","25.978","0.003","9.617","0.002","90","","90","","90","","2516.3","0.8","296.2","","296.2","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 Sn -","- C27 H42 Sn -","- C108 H168 Sn4 -","4","1","","Helliwell, Madeleine; Thomas, Eric J.; Townsend, Linda A.","Synthesis of chiral organotin reagents: synthesis of enantiomerically enriched bicyclo[2.2.1]hept-2-yl tin hydrides from camphor. X-Ray crystal structures of (dimethyl)[(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]tin chloride and methyl(phenyl)bis[(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]stannane","Journal of the Chemical Society, Perkin Transactions 1","2002","","10","1286","","10.1039/b200317c","","","1.5418","CuKα","","0.0472","0.0358","","0.0292","0.0282","","","","2.086","2.149","2.149","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7204354","20.487","0.001","20.6726","0.0008","6.1558","0.0003","90","","90","","90","","2607.1","0.2","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N4 O4 S2 -","- C28 H28 N4 O4 S2 -","- C112 H112 N16 O16 S8 -","4","1","","Satou, Teizi; Shinmyozu, Teruo","Synthesis and structural analysis of 2,11-diaza[3.3](3,5)pyridinophaneElectronic supplementary information (ESI) available: 3D coordinates for compounds 1 and 6 and for the three calculated conformers of compound 1 (1BB, 1CB and 1CC). See http://www.rsc.org/suppdata/p2/b2/b200402j/","Journal of the Chemical Society, Perkin Transactions 2","2002","","3","393","","10.1039/b200402j","","","0.7107","MoKα","","","0.0439","","","","0.1413","","","","","","1.018","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204383","5.9474","0.0003","10.228","0.0006","10.9852","0.0007","90","","90","","90","","668.23","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C2 Cl3 N S2 -","- C2 Cl3 N S2 -","- C8 Cl12 N4 S8 -","4","1","","Rees, Charles W.; Sivadasan, Sivaprasad; White, Andrew J. P.; Williams, David J.","Conversion of tetrazoles into hydrazonoyl chlorides. Novel donor‒dithiazolium interactions","Journal of the Chemical Society, Perkin Transactions 1","2002","","13","1535","","10.1039/b202211g","","","1.54178","CuKα","","0.0334","0.029","","0.0726","0.0683","","","","1.082","1.094","1.094","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204397","10.1128","0.0013","12.9983","0.0016","18.399","0.002","90","","90","","90","","2418.5","0.5","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N4 O4 S -","- C24 H34 N4 O4 S -","- C96 H136 N16 O16 S4 -","4","1","","Yolanda S. P. Álvares; M. José Alves; Nuno G. Azoia; Jamie F. Bickley; Thomas L. Gilchrist","Diastereoselective synthesis of aziridines from (1R)-10-(N,N-dialkylsulfamoyl)isobornyl 2H-azirine-3-carboxylates","J. Chem. Soc., Perkin Trans. 1","2002","","16","1911","1919","10.1039/b202321k","","","0.71073","MoKα","","0.0772","0.0426","","","0.0865","0.0949","","","","","","0.842","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204432","9.1439","0.0011","11.6771","0.0015","15.438","0.002","90","","90","","90","","1648.4","0.4","123","1","123","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O3 Si -","- C14 H25 N O3 Si -","- C56 H100 N4 O12 Si4 -","4","1","","Timothy J. Donohoe; Andrew A. Calabrese; Jean-Baptiste Guillermin; Daryl Walter","Partial reduction of 3-heteroatom substituted 2-furoic acids: the role of an ortho group in viability and stereoselectivity","J. Chem. Soc., Perkin Trans. 1","2002","","15","1748","1756","10.1039/b203437a","","","0.71073","MoKα","","0.0365","0.0335","","","0.0931","0.0952","","","","","","1.002","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204449","8.288","0.001","10.86","0.002","19.172","0.004","90","","90","","90","","1725.6","0.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O -","- C22 H23 N O -","- C88 H92 N4 O4 -","4","1","","Lu, Jun; Xu, Xuenong; Wang, Shaozhong; Wang, Cunde; Hu, Yuefei; Hu, Hongwen","Novel preparation of non-racemic 1-[??-(1-azacycloalkyl)benzyl]-2-naphthols from Betti base and their application as chiral ligands in the asymmetric addition of diethylzinc to aryl aldehydes","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2900","","10.1039/b204534f","","","0.71073","MoKα","","0.0782","0.0332","","","0.0839","0.1008","","","","","","1.038","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204450","9.813","0.004","10.354","0.003","16.491","0.004","90","","90","","90","","1675.5","0.9","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N O -","- C22 H21 N O -","- C88 H84 N4 O4 -","4","1","","Lu, Jun; Xu, Xuenong; Wang, Shaozhong; Wang, Cunde; Hu, Yuefei; Hu, Hongwen","Novel preparation of non-racemic 1-[??-(1-azacycloalkyl)benzyl]-2-naphthols from Betti base and their application as chiral ligands in the asymmetric addition of diethylzinc to aryl aldehydes","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2900","","10.1039/b204534f","","","0.71073","MoKα","","0.0788","0.0334","","","0.0827","0.0997","","","","","","1.043","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204451","11.4818","0.0013","12.894","0.003","17.1468","0.0018","90","","90","","90","","2538.5","0.7","293","","293","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C112 H136 N8 O12 -","4","1","","Steven D. Bull; Stephen G. Davies; David J. Fox; Massimo Gianotti; Peter M. Kelly; Camille Pierres; Edward D. Savory; Andrew D. Smith","Asymmetric synthesis of β-pyridyl-β-amino acid derivatives","J. Chem. Soc., Perkin Trans. 1","2002","","16","1858","1868","10.1039/b204653a","","","1.5418","CuKα","","","0.0427","","","","0.0437","","","","","","1.1288","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204452","10.5644","0.0002","12.7699","0.0003","17.3731","0.0004","90","","90","","90","","2343.74","0.09","190","","190","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 Cl N2 O5 -","- C23 H31 Cl N2 O5 -","- C92 H124 Cl4 N8 O20 -","4","1","","Steven D. Bull; Stephen G. Davies; David J. Fox; Massimo Gianotti; Peter M. Kelly; Camille Pierres; Edward D. Savory; Andrew D. Smith","Asymmetric synthesis of β-pyridyl-β-amino acid derivatives","J. Chem. Soc., Perkin Trans. 1","2002","","16","1858","1868","10.1039/b204653a","","","0.71073","MoKα","","","0.0381","","","","0.0382","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204458","6.07","0.004","13.074","0.012","37.69","0.03","90","","90","","90","","2991","4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-C-(Triphenylstannyl)methyl-1,2:5,6-di-O-isopropylidene-alpha-D- allofuranose","","- C31 H36 O6 Sn -","- C31 H36 O6 Sn -","- C124 H144 O24 Sn4 -","4","1","","Burnett, Lynne A.; Ferreira, Vitor F.; Alan Howie, R.; Rufino, Helena; Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.","Hydroxy group interactions in stannylated carbohydrates. Structures and thermal stabilities of 5-deoxy-5-C-(Ph3Sn)-1,2-O-isopropylidene-??-D-xylofuranose, 5-deoxy-5-C-(IPh2Sn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose, and 5-deoxy-5-C-(I2PhSn)-1,2-O-isopropylidene-??-D- and -L-xylofuranose","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2288","","10.1039/b204675j","","","0.71073","MoKα","","0.1312","0.056","","","0.094","0.1116","","","","","","0.984","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204465","10.657","0.004","10.894","0.003","10.362","0.003","90","","90","","90","","1203","0.7","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O5 -","- C11 H13 N3 O5 -","- C44 H52 N12 O20 -","4","1","","Minakawa, Noriaki; Kaga, Daisuke; Kato, Yuka; Endo, Kanji; Tanaka, Motohiro; Sasaki, Takuma; Matsuda, Akira","Synthesis and structural elucidation of 1-(3-C-ethynyl-4-thio-β-D-ribofuranosyl)cytosine (4'-thioECyd)","Journal of the Chemical Society, Perkin Transactions 1","2002","","19","2182","2189","10.1039/b204993g","","","1.5418","CuKα","","","0.0477","","","","0.0816","","","","","","1.948","","","","has coordinates","275181","2022-05-07","01:22:15",""
"7204466","10.887","0.003","10.892","0.003","10.385","0.003","90","","90","","90","","1231.5","0.6","296.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N3 O4 S -","- C11 H13 N3 O4 S -","- C44 H52 N12 O16 S4 -","4","1","","Minakawa, Noriaki; Kaga, Daisuke; Kato, Yuka; Endo, Kanji; Tanaka, Motohiro; Sasaki, Takuma; Matsuda, Akira","Synthesis and structural elucidation of 1-(3-C-ethynyl-4-thio-β-D-ribofuranosyl)cytosine (4'-thioECyd)","Journal of the Chemical Society, Perkin Transactions 1","2002","","19","2182","2189","10.1039/b204993g","","","0.7107","MoKα","","","0.0824","","","","0.044","","","","","","2.591","","","","has coordinates","275181","2022-05-07","01:22:16",""
"7204483","11.2695","0.0007","17.0311","0.0008","10.3072","0.0006","90","","90","","90","","1978.28","0.19","123.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Fe O7 -","- C23 H16 Fe O7 -","- C92 H64 Fe4 O28 -","4","1","","Watanabe, Akiko; Kamahori, Takao; Aso, Mariko; Suemune, Hiroshi","Asymmetric synthesis of C2-symmetric 5,6-bis(benzyloxy)cyclohexa-1,3-diene and a tricarbonyliron complex","Journal of the Chemical Society, Perkin Transactions 1","2002","","22","2539","","10.1039/b205526k","","","0.7107","MoKα","","","0.028","","","","0.07","","","","","","0.787","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204484","12.995","0.0008","12.064","0.001","19.5348","0.0013","90","","90","","90","","3062.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 N6 -","- C38 H36 N6 -","- C152 H144 N24 -","4","1","","Thomas Bark; Helen Stoeckli-Evans; Alexander von Zelewsky","New chiral pyrazine-based ligands for self-assembly reactions","J. Chem. Soc., Perkin Trans. 1","2002","","16","1881","1886","10.1039/b205563p","","","0.71073","MoKα","","0.1207","0.0348","","","0.0518","0.061","","","","","","0.752","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204489","7.5515","0.0001","19.054","0.0001","25.3617","0.0002","90","","90","","90","","3649.2","0.06","123","2","123","2","","","","","","","synthesis as described","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 Cl Hg N O5 S Si -","- C36 H50 Cl Hg N O5 S Si -","- C144 H200 Cl4 Hg4 N4 O20 S4 Si4 -","4","1","","Fraser, Benjamin; Perlmutter, Patrick","A nucleophilic addition ring closure [NARC]-based synthesis of (+) -nonactic acid","Journal of the Chemical Society, Perkin Transactions 1","2002","","24","2896","","10.1039/b206656d","","x-ray","0.71073","MoKα","","0.0242","0.0217","","","0.0444","0.045","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204493","8.0112","0.0008","9.758","0.001","23.019","0.002","90","","90","","90","","1799.5","0.3","160","2","160","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C80 H100 N4 O16 -","4","1","","Bream, Robert N.; Ley, Steven V.; McDermott, Benjamin; Procopiou, Panayiotis A.","A mild, enantioselective synthesis of (R)-salmeterol via sodium borohydride???calcium chloride asymmetric reduction of a phenacyl phenylglycinol derivative","Journal of the Chemical Society, Perkin Transactions 1","2002","","20","2237","","10.1039/b207068p","","","0.71073","MoKα","","0.0684","0.0646","","","0.1225","0.1239","","","","","","1.291","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204506","7.4482","0.0001","10.8159","0.0002","29.5153","0.0004","90","","90","","90","","2377.72","0.06","190","","190","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N2 O6 -","- C25 H30 N2 O6 -","- C100 H120 N8 O24 -","4","1","","Bull, Steven D.; Davies, Stephen G.; Christopher Garner, A.; O'Shea, Michael D.; Savory, Edward D.; Snow, Emma J.","Chiral glycine cation equivalents: N-acyliminium species derived from diketopiperazines","Journal of the Chemical Society, Perkin Transactions 1","2002","","22","2442","","10.1039/b207457p","","","0.71073","MoKα","","","0.0325","","","","0.0201","","","","","","1.0654","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204564","7.149","0.003","10.468","0.004","11.295","0.003","90","","90","","90","","845.3","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Co N O6 -","- C5 H7 Co N O6 -","- C20 H28 Co4 N4 O24 -","4","1","","Zhang, Yugen; Saha, Manas K.; Bernal, Ivan","[Cobalt(ii)l-glutamate(H2O)·H2O]∞: a new 3D chiral metal‒organic interlocking network with channels","CrystEngComm","2003","5","5","34","","10.1039/b210753h","","x-ray","0.71073","MoKα","","0.0307","0.0283","","","0.0799","0.081","","","","","","1.188","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204566","11.689","0.001","14.482","0.001","18.587","0.002","90","","90","","90","","3146.4","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Ag3 N S8 W2 -","- C16 H36 Ag3 N S8 W2 -","- C64 H144 Ag12 N4 S32 W8 -","4","1","","Zhou, Jian-Liang; Wang, Yu-Xiao; Wang, Yan; Song, Ying-Lin; Zheng, He-Gen; Li, Yi-Zhi; Yang, Lan-Ping; Xin, Xin-Quan","Synthesis, crystal structure and non-linear optical properties of the heterobimetallic polymeric compound {[n-Bu4N][W2Ag3S8]}n","CrystEngComm","2003","5","12","62","","10.1039/b210937a","","","0.71073","MoKα","","0.0568","0.0486","","","0.1269","0.1314","","","","","","1.041","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204568","5.3511","0.0002","9.2466","0.0003","22.6443","0.0007","90","","90","","90","","1120.43","0.07","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- F H13 N3 O8.5 P2 Zr -","- F N3 O8.5 P2 Zr -","- F4 N12 O34 P8 Zr4 -","4","1","","Gatta, Giacomo D.; Masci, Silvia; Vivani, Riccardo","Dimensional reduction in zirconium phosphate; from layers to ribbons to chains","Journal of Materials Chemistry","2003","13","5","1215","","10.1039/b211004k","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.069","","4.36","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204592","12.725","0.0003","12.8573","0.0001","21.6933","0.0004","90","","90","","90","","3549.22","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Ga N O5 S4 -","- C34 H36 Ga N O4.99 S3.99 -","- C136 H144 Ga4 N4 O19.96 S15.96 -","4","1","","Deivaraj, Theivanayagam C.; Lin, Ming; Loh, Kian Ping; Yeadon, Mark; Vittal, Jagadese J.","Trialkylammonium salts of [M(SC{O}R)4]‒ (M = Ga3+ and In3+) as precursors for metal sulfide thin films","Journal of Materials Chemistry","2003","13","5","1149","","10.1039/b212856j","","","0.71073","MoKα","","0.1299","0.0691","","","0.1265","0.1482","","","","","","1.033","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204655","7.259","0.0019","13.407","0.004","18.031","0.005","90","","90","","90","","1754.8","0.8","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","methylammonium zinc phosphate","","","- C2 H12 N2 O16 P4 Zn5 -","- C2 H12 N2 O16 P4 Zn5 -","- C8 H48 N8 O64 P16 Zn20 -","4","1","","Song, Yanning; Zavalij, Peter Y.; Whittingham, M. Stanley","Two novel open-framework zinc phosphates: (CH3NH3)Zn4(PO4)3 and (CH3NH3)2Zn5(PO4)4Electronic supplementary information (ESI) available: tables for atomic coordinates and anisotropic parameters and full list of bond lengths and bond angles. See http://www.rsc.org/suppdata/jm/b3/b303910b/","Journal of Materials Chemistry","2003","13","8","1936","","10.1039/b303910b","","","0.71073","MoKα","","0.0848","0.0774","","","0.1765","0.1805","","","","","","1.095","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204671","8.4317","0.0017","10.439","0.002","11.313","0.002","90","","90","","90","","995.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1-butyl-3-methylimidazolium fluoride monohydrate","","","- C8 H17 F N2 O -","- C8 H17 F N2 O -","- C32 H68 F4 N8 O4 -","4","1","","Swatloski, Richard P.; Holbrey, John D.; Rogers, Robin D.","Ionic liquids are not always green: hydrolysis of 1-butyl-3-methylimidazolium hexafluorophosphate","Green Chemistry","2003","5","4","361","","10.1039/b304400a","","","0.71073","MoKα","","0.0288","0.0253","","","0.0606","0.0631","","","","","","1.007","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204749","9.422","0.0009","9.5705","0.0009","9.931","0.001","90","","90","","90","","895.51","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Al2 H10 N2 O10 P2 -","- Al2 H6 N O11 P2 -","- Al8 H24 N4 O44 P8 -","4","1","","M. Eloísa Medina; M. Iglesias; E. Gutiérrez-Puebla; M. Angeles Monge","Solvothermal synthesis and structural relations among three anionic aluminophosphates; catalytic behaviour","J. Mater. Chem.","2004","14","5","845","850","10.1039/b311618b","","","0.71073","MoKα","","0.0395","0.0351","","","0.0842","0.0852","","","","","","1.023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204879","7.0501","0.0006","8.9204","0.0008","10.799","0.0009","90","","90","","90","","679.15","0.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-ethynylbenzaldehyde","4-ethynylbenzaldehyde","","- C9 H6 O -","- C9 H6 O -","- C36 H24 O4 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.0429","0.0409","","","0.1128","0.1161","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204881","5.646","0.001","7.268","0.001","19.528","0.004","90","","90","","90","","801.3","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-ethynylthioanisole","4-ethynylthioanisole","","- C9 H8 S -","- C9 H8 S -","- C36 H32 S4 -","4","1","","Dai, Chaoyang; Yuan, Zheng; Collings, Jonathan C.; Fasina, Tolulope M.; Thomas, Rhodri Ll.; Roscoe, Karl P.; Stimson, Lorna M.; Yufit, Dmitry S.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.","Crystal engineering with p-substituted 4-ethynylbenzenes using the C?H?O supramolecular synthon","CrystEngComm","2004","6","32","184","","10.1039/b404502e","","","0.71073","MoKα","","0.1208","0.0499","","","0.0848","0.0999","","","","","","0.963","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204934","5.481","0.004","6.791","0.008","35.877","0.029","90","","90","","90","","1335","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","","Langley, Philip J.; Bailey, Ray T.; Cruickshank, Frank R.; Kennedy, Alan R.; Lochran, Stephen; Pugh, David; Sherwood, John N.; Viikki, Anna; Wallis, John D.","Synthesis, characterisation and structure‒property analysis of derivatives of the non-linear optical material 5-nitro-N-(1-phenylethyl)pyridin-2-amine","Journal of Materials Chemistry","2001","11","4","1047","","10.1039/b008124h","","","0.71069","MoKα","","0.0765","0.0573","","0.1794","0.1718","","","","1.234","1.318","1.318","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204963","5.222","0.0012","12.756","0.004","15.674","0.006","90","","90","","90","","1044.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C H N O P Zn -","- C1.2 H5.6 N0.8 O3.2 P0.8 Zn0.4 -","- C12 H56 N8 O32 P8 Zn4 -","10","2.5","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0268","0.0221","","0.0572","0.0553","","","","1.102","1.085","1.085","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204970","5.371","0.001","10.704","0.002","25.652","0.005","90","","90","","90","","1474.8","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O6 -","- C13 H22 O6 -","- C52 H88 O24 -","4","1","","Dang, Hai-Shan; Roberts, Brian P.; Tocher†, Derek A.","Selective radical-chain epimerisation at electron-rich chiral tertiary C‒H centres using thiols as protic polarity-reversal catalysts","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2452","","10.1039/b103558b","","","0.71073","MoKα","","0.0691","0.0483","","0.1468","0.123","","","","1.045","1.052","1.052","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204974","9.534","0.001","9.689","0.002","26.056","0.004","90","","90","","90","","2406.9","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4R,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4- (4-methoxyphenyl)-azetidin-2-one","","- C27 H28 N2 O4 -","- C27 H28 N2 O4 -","- C108 H112 N8 O16 -","4","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1281","0.0552","","0.1111","0.0847","","","","1.092","1.261","1.261","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204975","9.498","0.002","9.675","0.002","25.765","0.004","90","","90","","90","","2367.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,4R,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4- (4-chlorphenyl)-azetidin-2-one","","- C26 H25 Cl N2 O3 -","- C26 H25 Cl N2 O3 -","- C104 H100 Cl4 N8 O12 -","4","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1591","0.0598","","0.1475","0.1069","","","","1.036","1.262","1.262","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204976","9.312","0.002","9.733","0.002","26.55","0.006","90","","90","","90","","2406.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,4R,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4- (4-nitrophenyl)-azetidin-2-one","","- C26 H25 N3 O5 -","- C26 H25 N3 O5 -","- C104 H100 N12 O20 -","4","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1101","0.0545","","0.1412","0.106","","","","1.037","1.155","1.155","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204978","6.055","0.001","17.352","0.003","20.987","0.003","90","","90","","90","","2205","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4S,1'S)-1-Benzyl-3-[1-(benzyloxycarbonylamino)ethyl]-4- (3-thienyl)-azetidin-2-one","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C96 H96 N8 O12 S4 -","4","1","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.0978","0.052","","0.1282","0.1001","","","","1.097","1.19","1.19","","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7204979","9.742","0.002","15.886","0.003","32.683","0.005","90","","90","","90","","5058.1","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4S,1'S)-3-[1-(Benzyloxycarbonylamino)ethyl]-1-tert-butyl-4- mesityl-azetidin-2-one","","- C26 H34 N2 O3 -","- C26 H34 N2 O3 -","- C208 H272 N16 O24 -","8","2","","Linder, Michael R.; Frey, Wolfgang U.; Podlech, Joachim","Diazoketones as precursors in β-lactam synthesis. New insights into the mechanism of the photochemically induced Staudinger reaction","Journal of the Chemical Society, Perkin Transactions 1","2001","","20","2566","","10.1039/b105748k","","","0.71073","MoKα","","0.1786","0.097","","0.2476","0.1879","","","","1.15","1.338","1.338","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204989","11.068","0.002","14.472","0.002","17.82","0.003","90","","90","","90","","2854.3","0.8","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 N2 -","- C38 H31 N2 -","- C152 H124 N8 -","4","1","","Kennedy, Alan R.; Smith, W. Ewen; Tackley, Daniel R.; David, William I. F.; Shankland, Kenneth; Brown, Bev; Teat, Simon J.","Tetraaryl biphenyl diamine hole transport materials: a structural study utilizing both single crystal and high resolution powder diffraction","Journal of Materials Chemistry","2002","12","2","168","","10.1039/b107278c","","","0.6892","synchrotron","","0.0868","0.0668","","","0.1485","0.1561","","","","","","1.065","","","","has coordinates,has disorder","180380","2020-10-21","18:00:00",""
"7204992","6.0693","0.0006","8.7995","0.0009","21.691","0.002","90","","90","","90","","1158.4","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","","4-Phenyloxazolidin-2-ones and isoindolin-1-ones: chiral auxiliaries for Diels‒Alder reactions of N-substituted 1,3-dienes","Journal of the Chemical Society, Perkin Transactions 1","2002","","1","69","","10.1039/b108059h","","","0.71073","MoKα","","0.0545","0.0483","","","0.1194","0.1306","","","","","","1.067","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205021","9.2817","0.0015","10.5236","0.0017","10.5688","0.0017","90","","90","","90","","1032.3","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H13 N O5 S -","- C8 H13 N O5 S -","- C32 H52 N4 O20 S4 -","4","1","","Hutton, Craig A.; Jaber, Rania; Otaegui, Michelle; Turner, Jennifer J.; Turner, Peter; White, Jonathan M.; Bacskay, George B.","Stereochemical and conformational consequences of the oxidation of 1,4-thiazane-3,5-dicarboxylates","Journal of the Chemical Society, Perkin Transactions 2","2002","","6","1066","","10.1039/b202231a","","","0.71073","MoKα","","0.0223","0.0219","","","0.0544","0.0546","","","","","","1.293","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205023","8.9956","0.0002","12.2107","0.0002","18.5397","0.0005","90","","90","","90","","2036.45","0.08","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O8 -","- C21 H30 O8 -","- C84 H120 O32 -","4","1","","Eklund, Patrik; Sillanpää, Reijo; Sjöholm, Rainer","Synthetic transformation of hydroxymatairesinol from Norway spruce (Picea abies) to 7-hydroxysecoisolariciresinol, (+)-lariciresinol and (+)-cyclolariciresinol","Journal of the Chemical Society, Perkin Transactions 1","2002","","16","1906","","10.1039/b202493d","","x-ray","0.71073","MoKα","","0.0492","0.04","","","0.0949","0.0998","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205034","6.2418","0.0016","9.747","0.002","15.951","0.004","90","","90","","90","","970.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,3-dimethylimidazolium methylsulphate","","","- C6 H12 N2 O4 S -","- C6 H12 N2 O4 S -","- C24 H48 N8 O16 S4 -","4","1","","Holbrey, John D.; Reichert, W. Matthew; Swatloski, Richard P.; Broker, Grant A.; Pitner, William R.; Seddon, Kenneth R.; Rogers, Robin D.","Efficient, halide free synthesis of new, low cost ionic liquids: 1,3-dialkylimidazolium salts containing methyl- and ethyl-sulfate anions","Green Chemistry","2002","4","5","407","","10.1039/b204469b","","","0.71073","MoKα","","0.0347","0.0285","","","0.058","0.0605","","","","","","0.947","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205170","10.84","0.01","14.535","0.013","18.079","0.016","90","","90","","90","","2849","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Tyr-Aib-Val","Tyr-Aib-Val","","- C24 H37 N3 O7 -","- C24 H37 N3 O7 -","- C96 H148 N12 O28 -","4","1","","Jana, Poulami; Maity, Sibaprasad; Haldar, Debasish","Insights into self-assembling nanoporous peptide and in situ reducing agent","CrystEngComm","2011","13","3","973","","10.1039/c0ce00143k","","","0.71073","MoKα","","0.1266","0.0504","","","0.0828","0.0919","","","","","","0.92","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205228","11.1099","0.0001","13.8909","0.0001","22.485","0.0004","90","","90","","90","","3470.03","0.07","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 N4 O14 Zn2 -","- C30 H38 N4 O14 Zn2 -","- C120 H152 N16 O56 Zn8 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0555","0.0383","","","0.0819","0.0878","","","","","","0.982","","","","has coordinates","180383","2020-10-21","18:00:00",""
"7205235","5.09","","3.6663","","18.0741","","90","","90","","90","","337.289","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1H-5aminotetrazole","1H-5aminotetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.0736","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205236","4.9624","","3.2575","","17.5375","","90","","90","","90","","283.494","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-amino-1H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.017","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205237","4.8628","","3.0809","","17.2703","","90","","90","","90","","258.74","","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-amino-1H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Fujihisa, Hiroshi; Honda, Kazumasa; Obata, Shigeaki; Yamawaki, Hiroshi; Takeya, Satoshi; Gotoh, Yoshito; Matsunaga, Takehiro","Crystal structure of anhydrous 5-aminotetrazole and its high-pressure behavior","CrystEngComm","2011","13","1","99","","10.1039/c0ce00278j","","","0.7107","MoKα","","","","","","","0.006","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205321","8.3337","0.0003","14.6878","0.0004","18.7462","0.0005","90","","90","","90","","2294.6","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H29 Cs O11 -","- C20 H29 Cs O11 -","- C80 H116 Cs4 O44 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0744","0.0328","","","0.0426","0.0472","","","","","","0.698","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205322","8.2066","0.0002","15.3598","0.0004","18.9926","0.0004","90","","90","","90","","2394.05","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C21 H31 Cs O10 -","- C21 H31 Cs O10 -","- C84 H124 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0518","0.0361","","","0.0515","0.0538","","","","","","0.87","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205323","8.2041","0.0002","15.3854","0.0004","19.3495","0.0006","90","","90","","90","","2442.36","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H28 Br Cs O10 -","- C20 H28 Br Cs O10 -","- C80 H112 Br4 Cs4 O40 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0633","0.0479","","","0.1189","0.1238","","","","","","1.028","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205324","8.1436","0.0002","14.9847","0.0002","20.1066","0.0004","90","","90","","90","","2453.6","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C21 H31 Cs O11 -","- C21 H31 Cs O11 -","- C84 H124 Cs4 O44 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0337","0.027","","","0.0517","0.0529","","","","","","0.975","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205325","8.1755","0.0002","15.5119","0.0003","19.1951","0.0003","90","","90","","90","","2434.28","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CROWN ETHER COMPLEX","","","- C20 H28 Cs N O12 -","- C20 H28 Cs N O12 -","- C80 H112 Cs4 N4 O48 -","4","1","","Braga, Dario; D'Agostino, Simone; Grepioni, Fabrizia","Surprising robustness of a unit cell: isomorphism in caesium 18-crown[6] complexes with aromatic polycarboxylate anions","CrystEngComm","2011","13","5","1366","","10.1039/c0ce00363h","","","0.71073","MoKα","","0.0392","0.0295","","","0.041","0.0422","","","","","","0.895","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205347","7.119","0.002","12.53","0.003","41.52","0.005","90","","90","","90","","3703.6","1.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-D-asparaginate heptahydrate","brucinium N-(4-nitrobenzoyl)-D-asparaginate heptahydrate","","- C34 H51 N5 O17 -","- C34 H51 N5 O17 -","- C136 H204 N20 O68 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.1033","0.0621","","","0.1289","0.1462","","","","","","1.023","","","","has coordinates","180384","2020-10-21","18:00:00",""
"7205348","7.979","0.002","19.404","0.003","22.853","0.004","90","","90","","90","","3538.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-D-asparaginate methanol disolvate 0.73-hydrate","brucinium N-(4-nitrobenzoyl)-D-asparaginate methanol disolvate 0.73-hydrate","","- C36 H46.45 N5 O12.73 -","- C36 H46.454 N5 O12.727 -","- C144 H185.816 N20 O50.908 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.0655","0.0462","","","0.0921","0.097","","","","","","1.078","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205349","7.605","0.002","21.238","0.005","23.666","0.005","90","","90","","90","","3822.4","1.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-L-asparaginate methanol trisolvate","brucinium N-(4-nitrobenzoyl)-L-asparaginate methanol trisolvate","","- C37 H49 N5 O13 -","- C37 H49 N5 O13 -","- C148 H196 N20 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","When a host becomes a guest—competition between decreasing hydrophobic spaces and supramolecular synthon propagation","CrystEngComm","2011","13","3","967","","10.1039/c0ce00388c","","","0.71073","MoKα","","0.0845","0.0711","","","0.154","0.1599","","","","","","1.197","","","","has coordinates,has disorder","180384","2020-10-21","18:00:00",""
"7205405","6.7063","0.0002","15.3526","0.0004","20.2188","0.0005","90","","90","","90","","2081.71","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cu N2 O12 -","- C16 H24 Cu N2 O12 -","- C64 H96 Cu4 N8 O48 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0627","0.0622","","","0.155","0.1554","","","","","","1.25","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205406","9.3953","0.0001","7.3422","0.0001","13.9495","0.0002","90","","90","","90","","962.27","0.02","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Co N O7 -","- C7 H9 Co N O7 -","- C28 H36 Co4 N4 O28 -","4","1","","Saha, Rajat; Biswas, Susobhan; Mostafa, Golam","pH-Triggered construction of NLO active CMOFs: change in supramolecular assembly, water clusters, helical architectures and their properties","CrystEngComm","2011","13","3","1018","","10.1039/c0ce00505c","","","0.71073","MoKα","","0.0295","0.0281","","","0.0724","0.0746","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205480","9.5667","0.0001","16.4081","0.0002","16.4469","0.0002","90","","90","","90","","2581.69","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Cd2 N4 O12 -","- C20 H28 Cd2 N4 O12 -","- C80 H112 Cd8 N16 O48 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","1.54178","CuKα","","0.0276","0.0241","","","0.0554","0.0567","","","","","","1.021","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205484","8.4907","0.0006","9.3897","0.0008","16.0819","0.001","90","","90","","90","","1282.13","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cd N2 O5 -","- C11 H14 Cd N2 O5 -","- C44 H56 Cd4 N8 O20 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Sun, Fei-Fei; Wu, Chuan-De","A series of metal‒organic coordination polymers containing multiple chiral centers","CrystEngComm","2011","13","5","1570","","10.1039/c0ce00633e","","","0.71073","MoKα","","0.0427","0.0303","","","0.0526","0.0545","","","","","","0.951","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205496","9.0225","0.0001","15.1359","0.0001","17.6892","0.0001","90","","90","","90","","2415.7","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Mo N3 O4 -","- C26 H27 Mo N3 O4 -","- C104 H108 Mo4 N12 O16 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","1.5418","CuKα","","0.0353","0.0316","","","0.0805","0.0903","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205498","12.7311","0.0003","14.0298","0.0004","35.9014","0.0008","90","","90","","90","","6412.5","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C63 H48 B F24 Mo N5 O3 -","- C63 H48 B F24 Mo N5 O3 -","- C252 H192 B4 F96 Mo4 N20 O12 -","4","1","","Morales, Dolores; Pérez, Julio; Martínez-García, Héctor; Puerto, Marcos; del Río, Ignacio","Hydrogen-bonded adducts between neutral molecules and [Mo(η3-methallyl)(CO)2(HOC(py)3)]+: snapshots of a deprotonation","CrystEngComm","2011","13","1","60","","10.1039/c0ce00688b","","","0.71073","MoKα","","0.097","0.0567","","","0.1362","0.1792","","","","","","1.035","","","","has coordinates","180385","2020-10-21","18:00:00",""
"7205515","16.3239","0.0018","19.566","0.002","20.852","0.002","90","","90","","90","","6660","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H75 Ag2 N15 O6 -","- C68 H75 Ag2 N15 O6 -","- C272 H300 Ag8 N60 O24 -","4","1","","Fenton, Hazel; Tidmarsh, Ian S.; Ward, Michael D.","Luminescent silver(i) coordination networks based on bis-(3,5-dimethylpyrazolyl)naphthalene ligands","CrystEngComm","2011","13","5","1432","","10.1039/c0ce00690d","","","0.71073","MoKα","","0.0466","0.0423","","","0.1178","0.1218","","","","","","1.068","","","","has coordinates,has disorder","180386","2020-10-21","18:00:00",""
"7205552","6.9439","0.0008","11.4246","0.0013","15.6571","0.0018","90","","90","","90","","1242.1","0.2","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 Cl2 N5 O Pd -","- C9 H10 Cl2 N5 O Pd -","- C36 H40 Cl8 N20 O4 Pd4 -","4","1","","McKinnon, Stephen D. J.; Gilroy, Joe B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Magnetostructural studies of palladium(ii) and platinum(ii) complexes of verdazyl radicals","Journal of Materials Chemistry","2011","21","5","1523","","10.1039/c0jm02560g","","","0.71073","MoKα","","0.0165","0.0159","","","0.0399","0.0402","","","","","","1.09","","","","has coordinates","180386","2020-10-21","18:00:00",""
"7205559","7.8299","0.0006","11.0435","0.0003","12.3544","0.0009","90","","90","","90","","1068.28","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Ru -","- C13 H16 Ru -","- C52 H64 Ru4 -","4","1","","Jipa, Ilona; Danova, Katya; Popovska, Nadejda; Siddiqi, M. Aslam; Siddiqui, Rehan A.; Atakan, Burak; Cremer, Till; Maier, Florian; Marbach, Hubertus; Steinrück, Hans-Peter; Heinemann, Frank W.; Zenneck, Ulrich","Methylated [(arene)(1,3-cyclohexadiene)Ru(0)] complexes as low-melting MOCVD precursor complexes with a controlled follow-up chemistry of the ligands","Journal of Materials Chemistry","2011","21","9","3014","","10.1039/c0jm02652b","","","0.71073","MoKα","","0.0299","0.0278","","","0.0672","0.068","","","","","","1.205","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205561","5.9529","0.0001","7.9576","0.0005","19.791","0.001","90","","90","","90","","937.52","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Ru -","- C12 H14 Ru -","- C48 H56 Ru4 -","4","1","","Jipa, Ilona; Danova, Katya; Popovska, Nadejda; Siddiqi, M. Aslam; Siddiqui, Rehan A.; Atakan, Burak; Cremer, Till; Maier, Florian; Marbach, Hubertus; Steinrück, Hans-Peter; Heinemann, Frank W.; Zenneck, Ulrich","Methylated [(arene)(1,3-cyclohexadiene)Ru(0)] complexes as low-melting MOCVD precursor complexes with a controlled follow-up chemistry of the ligands","Journal of Materials Chemistry","2011","21","9","3014","","10.1039/c0jm02652b","","","0.71073","MoKα","","0.0118","0.0114","","","0.0265","0.0266","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7205593","9.65","0.0012","10.6523","0.0012","29.701","0.004","90","","90","","90","","3053.1","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-dioxaspiro(4,5)decane DMF solvate","","- C37 H41 N O5 -","- C37 H41 N O5 -","- C148 H164 N4 O20 -","4","1","","Báthori, Nikoletta B.; Nassimbeni, Luigi R.","Selectivity of amides by host‒guest inclusion","CrystEngComm","2011","13","9","3156","","10.1039/c0ce00362j","","","0.71073","MoKα","","0.0398","0.032","","","0.0729","0.0767","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205606","4.8616","0.0006","9.1187","0.0011","13.2712","0.0016","90","","90","","90","","588.33","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-Amino-3-hydroxypropionic acid hydrogen peroxide solvate","(S)-2-Amino-3-hydroxypropionic acid hydrogen peroxide solvate","","- C3 H9 N O5 -","- C3 H9 N O5 -","- C12 H36 N4 O20 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0297","0.0294","","","0.0777","0.0782","","","","","","1.13","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205611","6.129","0.003","6.387","0.003","17.177","0.007","90","","90","","90","","672.4","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2S,3R)-2-Amino-3-hydroxybutyric acid hydrogen peroxide solvate","(2S,3R)-2-Amino-3-hydroxybutyric acid hydrogen peroxide solvate","","- C4 H11 N O5 -","- C4 H11 N O5 -","- C16 H44 N4 O20 -","4","1","","Prikhodchenko, Petr V.; Medvedev, Alexander G.; Tripol'skaya, Tatiana A.; Churakov, Andrei V.; Wolanov, Yitzhak; Howard, Judith A. K.; Lev, Ovadia","Crystal structures of natural amino acid perhydrates","CrystEngComm","2011","13","7","2399","","10.1039/c0ce00481b","","","0.71073","MoKα","","0.0382","0.0372","","","0.092","0.0928","","","","","","1.179","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205624","20.0585","0.0004","9.71812","0.00017","13.84077","0.00026","90","","90","","90","","2697.99","0.09","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","from C:/data/powder/koshima_ipbp/irr/rietveld/ipbp_irr_rrr.cif","","","- C31 H37 N O2 -","- C31 H37 N O2 -","- C124 H148 N4 O8 -","4","1","","Fujii, Kotaro; Uekusa, Hidehiro; Fukano, Michitaro; Koshima, Hideko","Metastable polymorphic form of isopropylbenzophenone derivative directly obtained by the solid-state photoreaction investigated by ab initio powder X-ray diffraction analysis","CrystEngComm","2011","13","9","3197","","10.1039/c0ce00500b","powder diffraction","x-ray","1.19751","","","","","","","","","0.0957","","4.53","","","","","","","has coordinates","180387","2020-10-21","18:00:00",""
"7205714","10.9742","0.0003","11.196","0.0003","32.3795","0.0009","90","","90","","90","","3978.38","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C136 H220 N20 O32 -","4","1","","Maity, Sibaprasad; Jana, Poulami; Haldar, Debasish","Fabrication of nanoporous material from a hydrophobic peptide","CrystEngComm","2011","13","8","3064","","10.1039/c0ce00701c","","","0.71073","MoKα","","0.1031","0.0474","","","0.1447","0.2078","","","","","","0.814","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205758","8.93","0.003","9.877","0.003","22.497","0.006","90","","90","","90","","1984.3","1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Sarma, Bipul; Thakuria, Ranjit; Nath, Naba K.; Nangia, Ashwini","Crystal structures of mirtazapine molecular salts","CrystEngComm","2011","13","9","3232","","10.1039/c0ce00746c","","","0.71073","MoKα","","0.0688","0.0458","","","0.0888","0.0964","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205762","6.0786","0.0004","10.5312","0.0008","17.6034","0.0012","90","","90","","90","","1126.88","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(cyclopentylammonium).(benzoate)","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0724","0.0487","","","0.1098","0.1241","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7205767","6.4663","0.0002","11.0134","0.0004","21.0375","0.0009","90","","90","","90","","1498.21","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(cyclopentylammonium).(adamantane carboxylate)","","- C16 H27 N O2 -","- C16 H27 N O2 -","- C64 H108 N4 O8 -","4","1","","Lemmerer, Andreas","Steric effects in hydrogen bonded columns of salts of benzoic acid and 1-adamantanecarboxylic acid with the cyclic amines CnH2n+1NH2, n = 5, 6, 7, 8 and 12","CrystEngComm","2011","13","8","2849","","10.1039/c0ce00749h","","","0.71073","MoKα","","0.0624","0.0475","","","0.1184","0.1267","","","","","","1.012","","","","has coordinates,has disorder","180388","2020-10-21","18:00:00",""
"7205856","43.6732","0.0037","5.88876","0.00052","5.14629","0.00039","90","","90","","90","","1323.53","0.19","291","","291","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Mg O10 -","- C28 H26 Mg O10 -","- C56 H52 Mg2 O20 -","2","0.5","","Friščić, Tomislav; Halasz, Ivan; Strobridge, Fiona C.; Dinnebier, Robert E.; Stein, Robin S.; Fábián, László; Curfs, Caroline","A rational approach to screen for hydrated forms of the pharmaceutical derivative magnesium naproxen using liquid-assisted grinding","CrystEngComm","2011","13","9","3125","","10.1039/c0ce00894j","powder diffraction","","1.54059","CuKα_1","","","","","","","","0.0253","","1.71","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7205962","6.3854","0.0009","8.8391","0.0012","26.129","0.005","90","","90","","90","","1474.8","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Ag N4 O6 -","- C13 H11 Ag N4 O6 -","- C52 H44 Ag4 N16 O24 -","4","1","","Wu, Chia-Jun; Sie, Ming-Jhe; Hsiao, Hui-Lin; Chen, Jhy-Der","Diverse Ag(i) complexes constructed from methyl-4-(5-halopyrimidin-2-ylcarbamoyl)benzoate ligands: roles of the halogen atom and anion","CrystEngComm","2011","13","12","4121","","10.1039/c1ce05102d","","","0.71073","MoKα","","0.0961","0.0484","","","0.0769","0.0921","","","","","","1.019","","","","has coordinates,has disorder","180390","2020-10-21","18:00:00",""
"7205977","7.4463","0.0005","16.4541","0.0016","25.4253","0.0016","90","","90","","90","","3115.2","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Au Cr N8 O4 S4 -","- C23 H26 Au Cr N8 O4 S4 -","- C92 H104 Au4 Cr4 N32 O16 S16 -","4","1","","Cucos, Andrei; Ursu, Andrei; Madalan, Augustin M.; Duhayon, Carine; Sutter, Jean-Pascal; Andruh, Marius","Co-crystallization of coordination compounds through second-coordination sphere interactions","CrystEngComm","2011","13","11","3756","","10.1039/c1ce05112a","","","0.71073","MoKα","","0.1246","0.0552","","","0.0623","0.0786","","","","","","0.701","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7206033","7.7534","0.0016","8.0651","0.0016","18.818","0.004","90","","90","","90","","1176.7","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 N2 O6 -","- C10 H18 N2 O6 -","- C40 H72 N8 O24 -","4","1","","Nonappa,; Ahonen, Kari; Lahtinen, Manu; Kolehmainen, Erkki","Cyclic dipeptides: catalyst/promoter-free, rapid and environmentally benign cyclization of free amino acids","Green Chemistry","2011","13","5","1203","","10.1039/c1gc15043j","","","0.71073","MoKα","","0.0557","0.0429","","","0.0841","0.0881","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206035","5.8353","0.0003","9.651","0.0006","12.8178","0.001","90","","90","","90","","721.85","0.08","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","","Nonappa,; Ahonen, Kari; Lahtinen, Manu; Kolehmainen, Erkki","Cyclic dipeptides: catalyst/promoter-free, rapid and environmentally benign cyclization of free amino acids","Green Chemistry","2011","13","5","1203","","10.1039/c1gc15043j","","","0.71073","MoKα","","0.0637","0.0476","","","0.0991","0.1065","","","","","","1.073","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206038","4.6835","0.0004","9.2616","0.0008","23.4038","0.0016","90","","90","","90","","1015.18","0.14","130","0.1","130","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","syn-(3S,4R)-3,4-dihydroxy-4-(4-nitrophenyl)butan-2-one","<i>syn</i>-(3<i>S</i>,4<i>R</i>)-3,4-dihydroxy- 4-(4-nitrophenyl)butan-2-one","","- C10 H11 N O5 -","- C10 H11 N O5 -","- C40 H44 N4 O20 -","4","1","","Czarnecki, Paweł; Plutecka, Agnieszka; Gawroński, Jacek; Kacprzak, Karol","Simple and practical direct asymmetric aldol reaction of hydroxyacetone catalyzed by 9-amino Cinchona alkaloid tartrates","Green Chemistry","2011","13","5","1280","","10.1039/c1gc15064b","","","1.54184","CuKα","","0.0257","0.0256","","","0.0687","0.0688","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206094","9.375","0.002","10.734","0.003","29.95","0.006","90","","90","","90","","3013.9","1.2","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C132 H156 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.072","0.0549","","","0.1433","0.1563","","","","","","1.055","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206095","9.375","0.0015","10.7698","0.0019","29.857","0.004","90","","90","","90","","3014.6","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.85 N O4 -","- C132 H155.4 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.0939","0.0725","","","0.1971","0.217","","","","","","1.108","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206096","9.3769","0.0013","10.8131","0.0018","29.707","0.004","90","","90","","90","","3012.1","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.784 N O4 -","- C132 H155.136 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1057","0.0778","","","0.2152","0.2411","","","","","","1.128","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206097","9.382","0.002","10.864","0.003","29.571","0.007","90","","90","","90","","3014.1","1.3","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.713 N O4 -","- C132 H154.852 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1344","0.0873","","","0.2281","0.2658","","","","","","1.15","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206098","9.3702","0.0013","11.016","0.002","29.134","0.005","90","","90","","90","","3007.3","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.444 N O4 -","- C132 H153.776 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1574","0.1011","","","0.2707","0.3158","","","","","","1.222","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206099","9.3364","0.0013","11.1836","0.0019","28.721","0.005","90","","90","","90","","2998.9","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.331 N O4 -","- C132 H153.324 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1461","0.0924","","","0.2534","0.2981","","","","","","1.183","","","","has coordinates,has disorder","180391","2020-10-21","18:00:00",""
"7206100","9.3006","0.0012","11.3515","0.0016","28.334","0.004","90","","90","","90","","2991.4","0.7","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.201 N O4 -","- C132 H152.804 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1245","0.0816","","","0.2102","0.2429","","","","","","1.155","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206101","9.2818","0.0015","11.418","0.002","28.183","0.005","90","","90","","90","","2986.8","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.188 N O4 -","- C132 H152.752 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1173","0.0802","","","0.2164","0.2464","","","","","","1.142","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206102","9.2671","0.0014","11.4608","0.0018","28.078","0.004","90","","90","","90","","2982.1","0.8","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.126 N O4 -","- C132 H152.504 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1108","0.0772","","","0.2002","0.2259","","","","","","1.166","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206103","9.2515","0.0016","11.479","0.002","28.054","0.005","90","","90","","90","","2979.3","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H38.121 N O4 -","- C132 H152.484 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1085","0.0747","","","0.1956","0.2239","","","","","","1.141","","","","has coordinates,has disorder","180392","2020-10-21","18:00:00",""
"7206104","9.2509","0.0016","11.481","0.002","28.074","0.005","90","","90","","90","","2981.7","0.9","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C132 H156 N4 O16 -","4","1","","Bąkowicz, Julia; Skarżewski, Jacek; Turowska-Tyrk, Ilona","Photo-induced structural changes in two crystal forms with different numbers of independent molecules","CrystEngComm","2011","13","13","4332","","10.1039/c0ce00795a","","","0.71073","MoKα","","0.1018","0.0668","","","0.1559","0.1781","","","","","","1.127","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7206244","12.8039","0.0009","14.0375","0.0009","18.358","0.001","90","","90","","90","","3299.6","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H27 In N2 O9 -","- C38 H27 In N2 O9 -","- C152 H108 In4 N8 O36 -","4","1","","Platero-Prats, Ana E.; Bernini, María C.; Medina, Manuela E.; López-Torres, Elena; Gutiérrez-Puebla, Enrique; Ángeles Monge, M.; Snejko, Natalia","Three novel indium MOFs derived from diphenic acid: synthesis, crystal structures and supramolecular chemistry","CrystEngComm","2011","13","15","4965","","10.1039/c1ce05196b","","","0.71073","MoKα","","0.0519","0.0398","","","0.0621","0.0646","","","","","","1.073","","","","has coordinates","180393","2020-10-21","18:00:00",""
"7206340","4.3382","0.0001","13.864","0.0002","17.4665","0.0002","90","","90","","90","","1050.52","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 Br4 O2 Rb -","- C6 Br4 O2 Rb -","- C24 Br16 O8 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","","1.54184","CuKα","","","0.045","","","","0.1241","","","","","","1.032","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206341","4.334","0.0001","13.5784","0.0003","17.4009","0.0003","90","","90","","90","","1024.02","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 Br4 O2 Rb -","- C6 Br4 O2 Rb -","- C24 Br16 O8 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Žilić, Dijana; Rakvin, Boris","Stabilisation of tetrabromo- and tetrachlorosemiquinone (bromanil and chloranil) anion radicals in crystals","CrystEngComm","2011","13","16","5170","","10.1039/c1ce05513e","","x-ray","1.54179","CuKα","","","0.043","","","","0.1115","","","","","","1.104","","","","has coordinates","180394","2020-10-21","18:00:00",""
"7206395","6.6456","0.0003","8.0898","0.0003","20.1549","0.001","90","","90","","90","","1083.56","0.08","290","","290","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 Er N3 O8 -","- C5 H10 Er N3 O8 -","- C20 H40 Er4 N12 O32 -","4","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0585","0.0317","","","0.0487","0.0524","","","","","","0.917","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206396","6.6973","0.0001","8.2497","0.0002","20.3822","0.0006","90","","90","","90","","1126.13","0.05","290","","290","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Er N2 O8 -","- C7 H9 Er N2 O8 -","- C28 H36 Er4 N8 O32 -","4","1","","Liu, Bin; Zheng, Hai-Bin; Wang, Zhe-Ming; Gao, Song","Chiral crystalline solids of ammonium-templated ErIII‒formate frameworks assembled from three achiral acentric components","CrystEngComm","2011","13","17","5285","","10.1039/c1ce05250k","","","0.71073","MoKα","","0.0415","0.0252","","","0.0476","0.05","","","","","","0.924","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7206429","11.683","0.01","15.571","0.014","26.71","0.02","90","","90","","90","","4859","7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48.1 H53.9 N7.7 O9.7 Zn -","- C37 H28 N4 O6 Zn -","- C148 H112 N16 O24 Zn4 -","4","1","","Wang, Suna; Peng, Yanqiang; Wei, Xilian; Zhang, Qingfu; Wang, Daqi; Dou, Jianmin; Li, Dacheng; Bai, Junfeng","Temperature-dependent supramolecular isomerism in three zinc coordination polymers with pamoic acid and 1,4-bis(imidazol-1-ylmethyl)-benzene","CrystEngComm","2011","13","17","5313","","10.1039/c1ce05463e","","","0.71073","MoKα","","0.1387","0.0623","","","0.0975","0.1057","","","","","","0.85","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206430","9.7267","0.0006","10.5251","0.0007","34.007","0.002","90","","90","","90","","3481.4","0.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Cl6 N6 O8 -","- C26.75 H23.75 Cl5.25 N6 O8 -","- C107 H95 Cl21 N24 O32 -","4","1","","Lim, Jaebum; Miljanić, Ognjen Š.","Crystal structures of 8-arylethynyl substituted guanosine derivatives: are hydrogen-bonded ribbons a surprise?","CrystEngComm","2011","13","17","5309","","10.1039/c1ce05618b","","","0.71073","MoKα","","0.0961","0.059","","","0.1687","0.206","","","","","","1.038","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206431","9.754","0.001","10.353","0.001","31.859","0.003","90","","90","","90","","3217.2","0.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl6 N6 O8 -","- C25 H24 Cl6 N6 O8 -","- C100 H96 Cl24 N24 O32 -","4","1","","Lim, Jaebum; Miljanić, Ognjen Š.","Crystal structures of 8-arylethynyl substituted guanosine derivatives: are hydrogen-bonded ribbons a surprise?","CrystEngComm","2011","13","17","5309","","10.1039/c1ce05618b","","","0.71073","MoKα","","0.1195","0.0578","","","0.1242","0.1686","","","","","","1.218","","","","has coordinates,has disorder","180395","2020-10-21","18:00:00",""
"7206435","4.9475","0.0007","10.0332","0.0012","21.929","0.003","90","","90","","90","","1088.5","0.3","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","7-benzyl-7H-purine-6-carbonitrile","7-benzyl-7H-purine-6-carbonitrile","","- C13 H9 N5 -","- C13 H9 N5 -","- C52 H36 N20 -","4","1","","Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek","Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines.","Physical chemistry chemical physics : PCCP","2011","13","35","15854","15864","10.1039/c1cp20680j","","","0.71073","MoKα","","0.0531","0.045","","","0.0882","0.0924","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7206453","6.4801","0.0002","15.4593","0.0008","19.1885","0.0009","90","","90","","90","","1922.26","0.15","180","2","180","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","El Asri, Zhor; Génisson, Yves; Guillen, Frédéric; Baslé, Olivier; Isambert, Nicolas; del Mar Sanchez Duque, Maria; Ladeira, Sonia; Rodriguez, Jean; Constantieux, Thierry; Plaquevent, Jean-Christophe","Multicomponent reactions in ionic liquids: convenient and ecocompatible access to the 2,6-DABCO core","Green Chemistry","2011","13","9","2549","","10.1039/c1gc15635g","","x-ray","0.71073","MoKα","","0.0457","0.0342","","","0.0731","0.0778","","","","","","1.025","","","","has coordinates","180395","2020-10-21","18:00:00",""
"7206539","5.18289","0.00048","11.194","0.0012","5.43875","0.00053","90","","90","","90","","315.54","0.05","315","","315","","11.75","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","L-alanine-d7","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Marshall, William G.; Parsons, Simon","Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa","CrystEngComm","2011","13","19","5841","","10.1039/c1ce05487b","powder diffraction","neutron","","Neutron","","","","","","","","","","1.32","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206540","5.13617","0.00071","11.1258","0.0019","5.41457","0.00076","90","","90","","90","","309.41","0.08","340","","340","","13.6","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","L-alanine-d7","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Marshall, William G.; Parsons, Simon","Alanine at 13.6 GPa and its pressure-induced amorphisation at 15 GPa","CrystEngComm","2011","13","19","5841","","10.1039/c1ce05487b","powder diffraction","neutron","","Neutron","","","","","","","","","","1.266","","","","","","","has coordinates","180396","2020-10-21","18:00:00",""
"7206579","4.8367","0.0006","12.1128","0.0018","30.967","0.005","90","","90","","90","","1814.2","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N6 O6 S -","- C15 H20 N6 O6 S -","- C60 H80 N24 O24 S4 -","4","1","","Swanick, Kalen N.; Dodd, David W.; Price, Jacquelyn T.; Brazeau, Allison L.; Jones, Nathan D.; Hudson, Robert H. E.; Ding, Zhifeng","Electrogenerated chemiluminescence of triazole-modified deoxycytidine analogues in N,N-dimethylformamide.","Physical chemistry chemical physics : PCCP","2011","13","38","17405","17412","10.1039/c1cp22116g","","","0.71073","MoKα","","0.0752","0.0526","","","0.1052","0.1196","","","","","","1.086","","","","has coordinates,has disorder","180396","2020-10-21","18:00:00",""
"7206613","6.6534","0.0001","18.96","0.0003","22.5591","0.0003","90","","90","","90","","2845.8","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N2 O8 Zn2 -","- C26 H30 N2 O8 Zn2 -","- C104 H120 N8 O32 Zn8 -","4","1","","Yang, Xiu-Li; Xie, Ming-Hua; Zou, Chao; Wu, Chuan-De","Syntheses, crystal structures and optical properties of six homochiral coordination networks based on phenyl acid-amino acids","CrystEngComm","2011","13","21","6422","","10.1039/c1ce05422h","","","1.54178","CuKα","","0.0444","0.0363","","","0.0791","0.0833","","","","","","1.084","","","","has coordinates","180397","2020-10-21","18:00:00",""
"7206694","5.3232","0.001","15.896","0.003","25.664","0.005","90","","90","","90","","2171.6","0.7","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 F6 O6 -","- C20 H24 F6 O6 -","- C80 H96 F24 O24 -","4","1","","Kataoka, Keisuke; Yanagi, Masato; Katagiri, Toshimasa","A crystal engineering weaving of half-spiral molecules by hydrogen bonding chains into tube structures","CrystEngComm","2011","13","21","6342","","10.1039/c1ce05663h","","","0.71075","MoKα","","","0.0334","","","","0.0814","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206830","13.9923","0.0002","14.3096","0.0002","32.6979","0.0005","90","","90","","90","","6546.91","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37.5 N4 O10.75 S Zn -","- C24 H20 N4 O10.25 S Zn -","- C192 H160 N32 O82 S8 Zn8 -","8","2","","Martí-Centelles, Vicente; Kumar, D. Krishna; White, Andrew J. P.; Luis, Santiago V.; Vilar, Ramon","Zinc(ii) coordination polymers with pseudopeptidic ligands","CrystEngComm","2011","13","23","6997","","10.1039/c1ce05872j","","","0.71073","MoKα","","0.079","0.0636","","","0.1622","0.168","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7206869","10.5412","0.0007","12.453","0.0008","13.5129","0.001","90","","90","","90","","1773.8","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Cl-aspirin anhydride (form I)","","","- C18 H12 Cl2 O7 -","- C18 H12 Cl2 O7 -","- C72 H48 Cl8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0398","0.0299","","","0.0611","0.0647","","","","","","1.013","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206871","10.5579","0.0005","12.5176","0.0007","13.7487","0.0008","90","","90","","90","","1817.02","0.17","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-Br-aspirin anhydride (form I)","","","- C18 H12 Br2 O7 -","- C18 H12 Br2 O7 -","- C72 H48 Br8 O28 -","4","1","","Solanko, Katarzyna A.; Bond., Andrew D.","Influence of impurities on the crystallisation of 5-X-aspirin and 5-X-aspirin anhydride polymorphs (X = Cl, Br, Me)","CrystEngComm","2011","13","23","6991","","10.1039/c1ce06065a","","","0.71073","MoKα","","0.0206","0.0181","","","0.0387","0.0391","","","","","","0.985","","","","has coordinates","180399","2020-10-21","18:00:00",""
"7206877","4.8314","0.0002","15.4009","0.0006","15.6421","0.0005","90","","90","","90","","1163.9","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C48 H52 N12 S4 -","4","1","","Lumpi, Daniel; Stöger, Berthold; Hametner, Christian; Kubel, Frank; Reider, Georg; Hagemann, Hans; Karpfen, Alfred; Fröhlich, Johannes","Modified ene‒yne compounds: a novel functional material with nonlinear optical properties","CrystEngComm","2011","13","24","7194","","10.1039/c1ce06093g","","","0.71073","MoKα","","0.0429","0.0295","","","0.0293","0.0301","","","","1.43","1.43","1.25","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7206916","4.3711","0.0004","5.1917","0.0005","50.481","0.005","90","","90","","90","","1145.59","0.19","292","2","292","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","3-bromo-N-(3-fluorophenyl)benzamide","3-bromo-N-(3-fluorophenyl)benzamide","","- C13 H9 Br F N O -","- C13 H9 Br F N O -","- C52 H36 Br4 F4 N4 O4 -","4","1","","Nayak, Susanta K.; Reddy, M. Kishore; Chopra, Deepak; Guru Row, Tayur N.","Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides","CrystEngComm","2012","14","1","200","","10.1039/c1ce05441d","","","0.71073","MoKα","","0.042","0.0343","","","0.0673","0.0691","","","","","","1.14","","","","has coordinates,has disorder","180400","2020-10-21","18:00:00",""
"7206944","4.8768","0.0002","7.2147","0.0003","28.5203","0.0011","90","","90","","90","","1003.48","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O3 -","- C10 H14 O3 -","- C40 H56 O12 -","4","1","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Bredikhina, Zemfira A.; Gubaidullin, Aidar T.; Fayzullin, Robert R.","Crystal structure and phase behavior of the tolyl glycerol ethers. From the conglomerate former to the chirality-driven nanogelator","CrystEngComm","2012","14","1","211","","10.1039/c1ce05637a","","","1.54178","CuKα","","0.0294","0.0288","","","0.0764","0.0771","","","","","","1.047","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7206978","10.507","0.002","10.643","0.002","23.51","0.005","90","","90","","90","","2629","0.9","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cu4 I6 N4 -","- C14 H14 Cu4 I6 N4 -","- C56 H56 Cu16 I24 N16 -","4","1","","Chan, Henry; Chen, Yang; Dai, Ming; Lü, Chun-Ning; Wang, Hui-Fang; Ren, Zhi-Gang; Huang, Zheng-Jun; Ni, Chun-Yan; Lang, Jian-Ping","Multi-dimensional iodocuprates of 4-cyanopyridinium and N,N′-dialkyl-4,4′-bipyridinium: syntheses, structures and dielectric properties","CrystEngComm","2012","14","2","466","","10.1039/c1ce05770g","","","0.71073","MoKα","","0.0618","0.0523","","","0.1217","0.1349","","","","","","1.003","","","","has coordinates","180400","2020-10-21","18:00:00",""
"7207220","6.285","0.0003","8.3874","0.0004","27.2578","0.0013","90","","90","","90","","1436.89","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Kobayashi, Yuhei; Kinuta, Takafumi; Sato, Tomohiro; Harada, Takunori; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Polymorphic supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid and benzylamine","CrystEngComm","2012","14","4","1468","","10.1039/c1ce06262j","","","0.71073","MoKα","","0.0354","0.0337","","","0.0883","0.0896","","","","","","1.1","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207256","15.3011","0.0012","20.084","0.002","25.52","0.0019","90","","90","","90","","7842.5","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81 H68 Cu3 N6 O16 -","- C81 H68 Cu3 N6 O16 -","- C324 H272 Cu12 N24 O64 -","4","1","","Liu, Juan; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian","Homochiral assembly of polycatenated bilayers with mixing achiral ligands","CrystEngComm","2012","14","3","789","","10.1039/c2ce06297f","","","0.71073","MoKα","","0.1279","0.068","","","0.175","0.1955","","","","","","0.983","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207268","6.5117","0.0001","10.3653","0.0002","21.8661","0.0004","90","","90","","90","","1475.87","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C68 H64 O20 -","4","1","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.0931","0.0572","","","0.1037","0.1142","","","","","","1.006","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207270","7.8319","0.0002","12.3938","0.0005","24.6888","0.0007","90","","90","","90","","2396.47","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","2","","Grabowsky, Simon; Dean, Pamela M.; Skelton, Brian W.; Sobolev, Alexandre N.; Spackman, Mark A.; White, Allan H.","Crystal packing in the 2-R,4-oxo-[1,3-a/b]-naphthodioxanes ‒ Hirshfeld surface analysis and melting point correlation","CrystEngComm","2012","14","3","1083","","10.1039/c2ce06393j","","","0.71073","MoKα","","0.09","0.0716","","","0.1627","0.1722","","","","","","1.002","","","","has coordinates","180403","2020-10-21","18:00:00",""
"7207459","9.47497","0.00016","10.17469","0.00014","14.53205","0.00025","90","","90","","90","","1400.96","0.04","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-Mandelsaeure-(R)-Prolinamid","(R)-Mandelsaeure-(R)-Prolinamid","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","","Bock, Dominique Anna; Lehmann, Christian W.","Chirality determination from X-ray powder data—diastereomeric co-crystals of mandelic acid and proline amide","CrystEngComm","2012","14","5","1534","","10.1039/c2ce06427h","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.365","","","","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207460","9.32239","0.00021","10.09939","0.00022","14.71604","0.00033","90","","90","","90","","1385.52","0.05","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Mandelsaeure-(R)-Prolinamid","(S)-Mandelsaeure-(R)-Prolinamid","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","","Bock, Dominique Anna; Lehmann, Christian W.","Chirality determination from X-ray powder data—diastereomeric co-crystals of mandelic acid and proline amide","CrystEngComm","2012","14","5","1534","","10.1039/c2ce06427h","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.444","","","","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207468","10.5652","0.0002","17.5422","0.0004","25.6946","0.0006","90","","90","","90","","4762.16","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H40 N4 O12 P2 Zn3 -","- C52 H36 N4 O12 P2 Zn3 -","- C208 H144 N16 O48 P8 Zn12 -","4","1","","Kan, Wei-Qiu; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin; Liu, Bo","0D, 2D and 3D metal phosphonates assembled from a new 2′-carboxybiphenyl-4-ylmethylphosphonic acid: Syntheses, topological structures and photoluminescent properties","CrystEngComm","2012","14","6","2268","","10.1039/c2ce06479k","","","0.71073","MoKα","","0.0446","0.0361","","","0.0674","0.0712","","","","","","1.042","","","","has coordinates","180405","2020-10-21","18:00:00",""
"7207573","8.2124","0.0007","18.5162","0.0017","34.876","0.003","90","","90","","90","","5303.3","0.8","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dutasteride hemihydrate","","","- C54 H62 F12 N4 O5 -","- C54 H62 F12 N4 O5 -","- C216 H248 F48 N16 O20 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan","Resonance-assisted amide protonation in dutasteride hydrochloride salt","CrystEngComm","2012","14","7","2571","","10.1039/c2ce06421a","","","0.71073","MoKα","","0.0761","0.066","","","0.177","0.1893","","","","","","1.121","","","","has coordinates,has disorder","180406","2020-10-21","18:00:00",""
"7207703","9.5021","0.0008","18.5086","0.0015","24.385","0.002","90","","90","","90","","4288.6","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C52 H60 Si2 -","- C52 H60 Si2 -","- C208 H240 Si8 -","4","1","","Zhang, Jingjing; Sarrafpour, Syena; Haas, Terry E.; Müller, Peter; Thomas, Samuel W.","Structure, photophysics, and photooxidation of crowded diethynyltetracenes","Journal of Materials Chemistry","2012","22","13","6182","","10.1039/c2jm16173g","","","0.71073","MoKα","","0.046","0.0364","","","0.0831","0.0889","","","","","","1.036","","","","has coordinates","180408","2020-10-21","18:00:00",""
"7207830","5.0901","0.0003","13.9239","0.0006","16.8234","0.0008","90","","90","","90","","1192.34","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","l-argininium perrhenate","l-argininium perrhenate","","- C6 H15 N4 O6 Re -","- C6 H15 N4 O6 Re -","- C24 H60 N16 O24 Re4 -","4","1","","Isakov, Dmitry; de Matos Gomes, Etelvina; Belsley, Michael Scott; Rodrigues, Vitor Hugo; Ramalho Costa, Maria Margarida","Synthesis, structure and non-linear optical properties of l-argininium perrhenate crystal","CrystEngComm","2012","14","10","3767","","10.1039/c2ce06652a","","","0.71073","MoKα","","0.0612","0.0505","","","0.1291","0.137","","","","","","1.053","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207873","11.501","0.002","14.424","0.003","28.959","0.006","90","","90","","90","","4804","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 N12 Ni4 O24 -","- C40 H36 N12 Ni4 O24 -","- C160 H144 N48 Ni16 O96 -","4","1","","Zheng, Wenxu; Wei, Yongqin; Tian, Chong-bin; Xiao, Xueying; Wu, Kechen","Spontaneous resolution of a homochiral helix built from a tetra-nuclear nickel cluster","CrystEngComm","2012","14","10","3347","","10.1039/c2ce25108f","","","0.71073","MoKα","","0.0536","0.0336","","","0.0376","0.0389","","","","","","0.953","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207874","11.4952","0.0005","14.4352","0.0005","28.9218","0.0014","90","","90","","90","","4799.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H36 N12 Ni4 O24 -","- C40 H36 N12 Ni4 O24 -","- C160 H144 N48 Ni16 O96 -","4","1","","Zheng, Wenxu; Wei, Yongqin; Tian, Chong-bin; Xiao, Xueying; Wu, Kechen","Spontaneous resolution of a homochiral helix built from a tetra-nuclear nickel cluster","CrystEngComm","2012","14","10","3347","","10.1039/c2ce25108f","","","0.71073","MoKα","","0.0312","0.0284","","","0.0505","0.0515","","","","","","1.005","","","","has coordinates","180409","2020-10-21","18:00:00",""
"7207945","10.687","0.002","12.122","0.002","15.549","0.003","90","","90","","90","","2014.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 F N O -","- C25 H22 F N O -","- C100 H88 F4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0919","0.0471","","","0.0836","0.0976","","","","","","1.006","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207946","10.6982","0.0008","12.1633","0.0009","15.7632","0.0012","90","","90","","90","","2051.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Cl N O -","- C25 H22 Cl N O -","- C100 H88 Cl4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0922","0.049","","","0.0887","0.102","","","","","","1.015","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207947","10.6828","0.0006","12.1716","0.0007","15.9646","0.0009","90","","90","","90","","2075.8","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br N O -","- C25 H22 Br N O -","- C100 H88 Br4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0552","0.0356","","","0.0666","0.0707","","","","","","0.898","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207948","8.2095","0.0005","14.0391","0.0008","19.7711","0.0012","90","","90","","90","","2278.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 F N O -","- C29 H24 F N O -","- C116 H96 F4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.0662","0.046","","","0.0994","0.108","","","","","","1.032","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207949","10.752","0.0007","13.373","0.0017","16.005","0.003","90","","90","","90","","2301.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Cl N O -","- C29 H24 Cl N O -","- C116 H96 Cl4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1217","0.0579","","","0.0968","0.1191","","","","","","1.062","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207950","10.783","0.0005","13.494","0.0019","15.938","0.002","90","","90","","90","","2319.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H24 Br N O -","- C29 H24 Br N O -","- C116 H96 Br4 N4 O4 -","4","1","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1258","0.0517","","","0.1021","0.1264","","","","","","1.088","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7207951","15.51","0.003","15.661","0.003","17.891","0.004","90","","90","","90","","4345.8","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C208 H200 N8 O16 -","8","2","","Cardellicchio, Cosimo; Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella, Joan F.; Capitelli, Francesco","Investigation on the weak interactions assembling the crystal structures of Betti bases","CrystEngComm","2012","14","11","3972","","10.1039/c2ce06295j","","","0.71073","MoKα","","0.1532","0.0499","","","0.0849","0.1114","","","","","","0.931","","","","has coordinates","180410","2020-10-21","18:00:00",""
"7208024","4.25566","0.0001","10.2167","0.0002","12.2711","0.0003","90","","90","","90","","533.53","0.02","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2,4,7-trioxa-3-oxy-bicyclo[3.3.0]octane","","- C5 H6 O4 -","- C5 H6 O4 -","- C20 H24 O16 -","4","1","","Tomczyk, Karolina M.; Guńka, Piotr A.; Parzuchowski, Paweł G.; Zachara, Janusz; Rokicki, Gabriel","Intramolecular etherification of five-membered cyclic carbonates bearing hydroxyalkyl groups","Green Chemistry","2012","14","6","1749","","10.1039/c2gc35265f","","","1.5418","CuKα","","0.0236","0.0225","","","0.0574","0.0587","","","","","","1.062","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208025","7.9412","0.0002","10.0129","0.0003","10.831","0.0003","90","","90","","90","","861.22","0.04","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6-(1,3-dioxolan-2-one-4-yl)-2,4,7-trioxa-3-oxy-bicyclo[3.3.0]octane","","- C8 H8 O7 -","- C8 H8 O7 -","- C32 H32 O28 -","4","1","","Tomczyk, Karolina M.; Guńka, Piotr A.; Parzuchowski, Paweł G.; Zachara, Janusz; Rokicki, Gabriel","Intramolecular etherification of five-membered cyclic carbonates bearing hydroxyalkyl groups","Green Chemistry","2012","14","6","1749","","10.1039/c2gc35265f","","","0.71073","MoKα","","0.0317","0.0276","","","0.0608","0.0632","","","","","","1.059","","","","has coordinates","180411","2020-10-21","18:00:00",""
"7208136","5.8708","0.0002","7.6845","0.0003","28.2976","0.0009","90","","90","","90","","1276.62","0.08","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H12 O -","- C19 H12 O -","- C76 H48 O4 -","4","1","","Chien, Ching-Ting; Lin, Chih-Chun; Watanabe, Motonori; Lin, Yan-Duo; Chao, Ting-Han; Chiang, Ta-chung; Huang, Xin-Hua; Wen, Yuh-Sheng; Tu, Chih-Hsin; Sun, Chia-Hsing; Chow, Tahsin J.","Tetracene-based field-effect transistors using solution processes","Journal of Materials Chemistry","2012","22","26","13070","","10.1039/c2jm31134h","","","0.71073","MoKα","","0.0684","0.0389","","","0.0824","0.108","","","","","","1.026","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208151","4.9991","0.0004","9.5975","0.0008","24.98","0.002","90","","90","","90","","1198.51","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N2 O5 Re -","- C10 H11 N2 O5 Re -","- C40 H44 N8 O20 Re4 -","4","1","","Sánchez, Ignacio; Campo, José Antonio; Heras, José Vicente; Rosario Torres, M.; Cano, Mercedes","Pyrazolium salts as a new class of ionic liquid crystals","Journal of Materials Chemistry","2012","22","26","13239","","10.1039/c2jm31939j","","","0.71073","MoKα","","0.0219","0.0199","","","0.0467","0.0475","","","","","","0.996","","","","has coordinates","180412","2020-10-21","18:00:00",""
"7208261","3.7472","0.0004","11.5109","0.0017","21.979","0.003","90","","90","","90","","948","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-acetylamino-2-hydroxobenzoic acid monohydrate","5-acetylamino-2-hydroxobenzoic acid monohydrate","","- C9 H11 N O5 -","- C9 H11 N O5 -","- C36 H44 N4 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Surprisingly complex supramolecular behaviour in the crystal structures of a family of mono-substituted salicylic acids","CrystEngComm","2012","14","16","5242","","10.1039/c2ce25336d","","","0.71073","MoKα","","0.1151","0.0804","","","0.1573","0.1788","","","","","","1.082","","","","has coordinates","180413","2020-10-21","18:00:00",""
"7208278","12.935","0.005","14.708","0.005","15.359","0.005","90","","90","","90","","2922","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N4 O12 Zn2 -","- C21 H21 N4 O12 Zn2 -","- C84 H84 N16 O48 Zn8 -","4","1","","Hao, Xiang-Rong; Wang, Xin-Long; Shao, Kui-Zhan; Yang, Guang-Sheng; Su, Zhong-Min; Yuan, Gang","Remarkable solvent-size effects in constructing novel porous 1,3,5-benzenetricarboxylate metal‒organic frameworks","CrystEngComm","2012","14","17","5596","","10.1039/c2ce25343g","","","0.71069","MoKα","","0.0468","0.0383","","","0.0995","0.1063","","","","","","0.931","","","","has coordinates,has disorder","180413","2020-10-21","18:00:00",""
"7208307","7.143","0.003","14.458","0.006","29.544","0.013","90","","90","","90","","3051","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Cl2 N6 O3 Zn -","- C32 H28 Cl2 N6 O3 Zn -","- C128 H112 Cl8 N24 O12 Zn4 -","4","1","","Yang, Zaiwen; Huang, Xiaojuan; Zhao, Qilong; Li, Shaoguang; Wu, Biao","Hydrogen-bonded 1D nanotubes and 2D layers of group 12 metal complexes with a pyridylurea ligand","CrystEngComm","2012","14","17","5446","","10.1039/c2ce25453k","","","0.71073","MoKα","","0.0825","0.0517","","","0.1056","0.1174","","","","","","1.006","","","","has coordinates","180414","2020-10-21","18:00:00",""
"7208359","14.3036","0.0007","21.7219","0.001","25.5475","0.0011","90","","90","","90","","7937.6","0.6","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34.5 H31.7 F N5.25 Ni O6 S4 -","- C34.5 H30.875 F N5.25 Ni O6 S4 -","- C276 H247 F8 N42 Ni8 O48 S32 -","8","2","","Takahashi, Kiyonori; Hoshino, Norihisa; Kubo, Kazuya; Nakamura, Takayoshi; Akutagawa, Tomoyuki","Cation‒anion packing and molecular motion in (m-fluoroanilinium)(dibenzo[18]crown-6)[Ni(mnt)2]−(CH3CN)0.25 crystals","CrystEngComm","2012","14","16","5235","","10.1039/c2ce25493j","","","0.71075","MoKα","","","0.0423","","","","0.0727","","","","","","0.935","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208407","8.8341","0.0003","17.4965","0.0007","17.9724","0.0006","90","","90","","90","","2777.92","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N5 O14 Sm Zn -","- C21 H24 N5 O14 Sm Zn -","- C84 H96 N20 O56 Sm4 Zn4 -","4","1","","Pasatoiu, Traian D.; Madalan, Augustin M.; Zamfirescu, Marian; Tiseanu, Carmen; Andruh, Marius","One- and two-photon induced emission in heterobimetallic Zn(II)-Sm(III) and Zn(II)-Tb(III) complexes with a side-off compartmental ligand.","Physical chemistry chemical physics : PCCP","2012","14","32","11448","11456","10.1039/c2cp41026e","","","0.71073","MoKα","","0.0696","0.0435","","","0.0532","0.0573","","","","","","0.956","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208423","11.4398","0.0002","13.2955","0.0002","26.2483","0.0004","90","","90","","90","","3992.31","0.11","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 Co2 N8 O11 -","- C36 H42 Co2 N8 O11 -","- C144 H168 Co8 N32 O44 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0369","0.0289","","","0.0679","0.0691","","","","","","1.003","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208424","11.3503","0.0003","13.1581","0.0003","26.213","0.0006","90","","90","","90","","3914.87","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Co2 N4 O9 -","- C24 H18 Co2 N4 O9 -","- C96 H72 Co8 N16 O36 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0567","0.0479","","","0.1572","0.1624","","","","","","1.173","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208425","11.249","0.004","13.238","0.004","26.05","0.009","90","","90","","90","","3879","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 Co2 N6 O9 -","- C28 H24 Co2 N6 O9 -","- C112 H96 Co8 N24 O36 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0954","0.0856","","","0.2186","0.2343","","","","","","1.174","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208426","11.3749","0.0004","13.3596","0.0005","25.9691","0.0011","90","","90","","90","","3946.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Co2 N4 O9 -","- C30 H30 Co2 N4 O9 -","- C120 H120 Co8 N16 O36 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0509","0.046","","","0.1375","0.1433","","","","","","1.144","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208427","11.379","0.003","13.386","0.004","25.904","0.008","90","","90","","90","","3946","2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H18 Co2 N4 O10 -","- C32 H18 Co2 N4 O10 -","- C128 H72 Co8 N16 O40 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0743","0.0671","","","0.1995","0.2176","","","","","","1.056","","","","has coordinates,has disorder","180415","2020-10-21","18:00:00",""
"7208428","11.269","0.0017","13.382","0.002","25.592","0.004","90","","90","","90","","3859.3","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 Co2 N4 O9.5 -","- C26 H23 Co2 N4 O9.5 -","- C104 H92 Co8 N16 O38 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0338","0.0326","","","0.1043","0.1052","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208429","11.4777","0.0002","13.3164","0.0003","26.0307","0.0004","90","","90","","90","","3978.57","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Co2 N4 O10 -","- C32 H28 Co2 N4 O10 -","- C128 H112 Co8 N16 O40 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0532","0.0479","","","0.1665","0.1725","","","","","","1.178","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208430","11.4659","0.0003","13.2732","0.0003","26.1201","0.0012","90","","90","","90","","3975.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H28 Co2 N4 O10 -","- C32 H28 Co2 N4 O10 -","- C128 H112 Co8 N16 O40 -","4","1","","Zhang, Hai-Xia; Wang, Fei; Tan, Yan-Xi; Kang, Yao; Zhang, Jian","Homochiral porous metal‒organic frameworks containing only achiral building blocks for enantioselective separation","Journal of Materials Chemistry","2012","22","32","16288","","10.1039/c2jm33269h","","","0.71073","MoKα","","0.0737","0.0567","","","0.1789","0.1964","","","","","","1.156","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208470","9.652","0.005","10.704","0.005","11.159","0.006","90","","90","","90","","1152.9","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C40 H20 N12 O16 Zn4 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Spontaneous resolution of a coordination polymer containing stereogenic five-coordinate Zn(ii) centers and achiral ligands with axially chiral conformation","CrystEngComm","2012","14","19","6241","","10.1039/c2ce25428j","","","0.71073","MoKα","","0.0501","0.0361","","","0.0833","0.0908","","","","","","1.002","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208471","9.641","0.002","10.711","0.002","11.172","0.003","90","","90","","90","","1153.7","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H5 N3 O4 Zn -","- C10 H5 N3 O4 Zn -","- C40 H20 N12 O16 Zn4 -","4","1","","Zheng, Sheng-Run; Cai, Song-Liang; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang","Spontaneous resolution of a coordination polymer containing stereogenic five-coordinate Zn(ii) centers and achiral ligands with axially chiral conformation","CrystEngComm","2012","14","19","6241","","10.1039/c2ce25428j","","","0.71073","MoKα","","0.0712","0.0414","","","0.0802","0.0901","","","","","","1.02","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208481","6.5797","0.0002","7.7589","0.0002","18.7911","0.0004","90","","90","","90","","959.31","0.04","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Li -","- C12 H11 Li -","- C48 H44 Li4 -","4","1","","Foy, Justin T.; Wilkes, Elise B.; Aprahamian, Ivan","Self-assembly of benzyl cyclopentadienyl lithium","CrystEngComm","2012","14","19","6126","","10.1039/c2ce25447f","","x-ray","0.71073","MoKα","","0.0495","0.0355","","","0.0705","0.0765","","","","","","1.09","","","","has coordinates","180415","2020-10-21","18:00:00",""
"7208577","8.012","0.002","12.51","0.006","14.753","0.006","90","","90","","90","","1478.7","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 Br2 Cd N O6 -","- C9 H13 Br2 Cd N O6 -","- C36 H52 Br8 Cd4 N4 O24 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Zhang, Ming-Jian; Wang, Guan-E; Guo, Guo-Cong; Huang, Jin-Shun","Fluorescent cadmium complexes based on N-succinopyridine ligand: syntheses, structures and tunable photoluminescence by variation of excitation light","CrystEngComm","2012","14","19","6196","","10.1039/c2ce25755f","","","0.71073","MoKα","","0.0832","0.0605","","","0.124","0.1401","","","","","","1.026","","","","has coordinates","180416","2020-10-21","18:00:00",""
"7208658","5.0482","0.001","9.422","0.0019","10.25","0.002","90","","90","","90","","487.53","0.17","295","2","295","2","","","430000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0619","0.0489","","","0.1242","0.1333","","","","","","1.126","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208659","5.0292","0.001","9.3989","0.0019","10.186","0.002","90","","90","","90","","481.48","0.17","295","2","295","2","","","630000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1224","0.1013","","","0.2764","0.3079","","","","","","1.157","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208660","4.9973","0.001","9.4478","0.0019","10.076","0.002","90","","90","","90","","475.72","0.16","295","2","295","2","","","720000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0375","0.0369","","","0.093","0.0935","","","","","","1.09","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208661","4.9467","0.001","9.3791","0.0019","9.834","0.002","90","","90","","90","","456.25","0.16","295","2","295","2","","","970000","","","","","3","P 21 21 21","P 2ac 2ab","19","2,3-butanediol","2,3-butanediol","","- C4 H10 O2 -","- C4 H10 O2 -","- C16 H40 O8 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.0481","0.0451","","","0.1021","0.1045","","","","","","1.126","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208662","5.058","0.001","5.2221","0.001","16.054","0.003","90","","90","","90","","424.04","0.14","295","2","295","2","","","2140000","","","","","3","P 21 21 21","P 2ac 2ab","19","2-butanol","2-butanol","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1265","0.0805","","","0.2045","0.2255","","","","","","1.025","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208663","5.0122","0.001","5.0885","0.001","16.044","0.003","90","","90","","90","","409.2","0.14","295","2","295","2","","","2330000","","","","","3","P 21 21 21","P 2ac 2ab","19","2-butanol","2-butanol","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Podsiadło, Marcin; Patyk, Ewa; Katrusiak, Andrzej","Chiral aggregation hierarchy in high-pressure resolved 2-butanol and 2,3-butanediol","CrystEngComm","2012","14","20","6419","","10.1039/c2ce25372k","","","0.71073","MoKα","","0.1301","0.1118","","","0.2797","0.3005","","","","","","1.101","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208680","6.0152","0.0011","12.442","0.002","29.838","0.006","90","","90","","90","","2233.1","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 N4 O6 -","- C21 H28 N4 O6 -","- C84 H112 N16 O24 -","4","1","","Konar, Anita Dutt","mABA inserted supramolecular triple helix formation in the solid state in synthetic tripeptides containing β-cyanoalanine and Aib as corner residues","CrystEngComm","2012","14","20","6689","","10.1039/c2ce25527h","","","0.71073","MoKα","","0.1045","0.0559","","","0.1145","0.1322","","","","","","0.799","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208818","6.7956","0.0015","11.993","0.003","21.79","0.005","90","","90","","90","","1775.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","methyl (2R,3S)-2-hydroxy-3-phenyl-3-(((5-phenyl-1,3,4- oxadiazol-2-yl)-carbonyl)amino)-propanoate","methyl (2R,3S)-2-hydroxy-3-phenyl-3-{[(5-phenyl-1,3,4-oxadiazol- 2-yl)-carbonyl]amino}-propanoate","","- C19 H17 N3 O5 -","- C19 H17 N3 O5 -","- C76 H68 N12 O20 -","4","1","","Wang, Li; Zhang, Zhenfeng; Wang, Yibo; Wu, Yanbo; Zhang, Shengyong","O⋯π and O‒H⋯π interactions: the first disclosure of the nature of 1,3,4-oxadiazol⋯aromatic contacts","CrystEngComm","2012","14","23","7877","","10.1039/c2ce26224j","","","0.71073","MoKα","","0.0269","0.0246","","","0.0615","0.0638","","","","","","1.008","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208876","12.8722","0.0005","12.9237","0.0004","29.641","0.002","90","","90","","90","","4931","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H42 Cl22 Cu16 N6 -","- C18 H42 Cl22 Cu16 N6 -","- C72 H168 Cl88 Cu64 N24 -","4","1","","Williams, Edward R.; Weller, Mark T.","Hydrothermal synthesis and structural characterisation of [H2DABCO]3[Cu16Cl22]: a new copper(i) chloride framework","CrystEngComm","2013","15","1","31","","10.1039/c2ce26068a","","","0.71075","MoKα","","0.0659","0.0592","","","0.1379","0.1413","","","","","","1.13","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7209117","8.0233","0.0001","8.308","0.0002","13.5868","0.0003","90","","90","","90","","905.66","0.03","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C24 H64 Br4 N4 -","4","1","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0219","0.0187","","","0.0446","0.0463","","","","","","1.024","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209152","18.4538","0.0013","25.3442","0.0017","37.783","0.003","90","","90","","90","","17671","2","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C97 H77 Cd2 N9 O16 S2 -","- C97 H77 Cd2 N9 O16 S2 -","- C776 H616 Cd16 N72 O128 S16 -","8","2","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction","CrystEngComm","2013","15","2","227","","10.1039/c2ce26696b","","","0.71073","MoKα","","0.0861","0.0634","","","0.1291","0.1347","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209184","15.6936","0.0018","15.9984","0.0019","26.489","0.003","90","","90","","90","","6650.7","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C-hexyltetracyanoresorcin(4)arene silver complex","","","- C59.6 H83 Ag N4 O11.9 -","- C59.6 H68 Ag N4 O11.9 -","- C238.4 H272 Ag4 N16 O47.6 -","4","1","","Mossine, Andrew V.; Thavornyutikarn, Praput; Atwood, Jerry L.","Conservation of a unique noncovalent motif in a tetracyanoresorcin[4]arene silver complex","CrystEngComm","2013","15","9","1673","","10.1039/c2ce26802g","","x-ray","0.71073","MoKα","","0.1634","0.1058","","","0.2857","0.3363","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209189","8.5321","0.0004","20.7094","0.001","25.769","0.001","90","","90","","90","","4553.2","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Ag F6 N4 P -","- C8 H12 Ag F6 N4 P -","- C96 H144 Ag12 F72 N48 P12 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.1507","0.0378","","","0.0565","0.0706","","","","","","0.762","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209191","8.5713","0.0001","21.9018","0.0003","27.8052","0.0005","90","","90","","90","","5219.78","0.13","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Cu F6 N5 P -","- C10 H15 Cu F6 N5 P -","- C120 H180 Cu12 F72 N60 P12 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.053","0.0366","","","0.0771","0.0841","","","","","","1.027","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209200","5.955","0.003","7.46","0.003","19.878","0.008","90","","90","","90","","883.1","0.7","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Ueno, Atsushi; Kayaki, Yoshihito; Ikariya, Takao","Cycloaddition of tertiary aziridines and carbon dioxide using a recyclable organocatalyst, 1,3-di-tert-butylimidazolium-2-carboxylate: straightforward access to 3-substituted 2-oxazolidones","Green Chemistry","2013","15","2","425","","10.1039/c2gc36414j","","","0.7107","MoKα","","","0.0299","","","","0.0924","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209247","6.741","0.001","6.743","0.001","8.58","0.002","90","","90","","90","","390","0.12","8","2","8","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylurea","N-methylurea","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.5166","synchrotron","","0.027","0.027","","","","0.058","0.051","","","","","1.485","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209596","10.0375","0.0014","15.2234","0.0018","18.925","0.002","90","","90","","90","","2891.8","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 Ni O6 -","- C30 H30 N6 Ni O6 -","- C120 H120 N24 Ni4 O24 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.0781","0.0578","","","0.1321","0.1462","","","","","","1.024","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209597","10.121","0.002","15.235","0.003","19.027","0.004","90","","90","","90","","2933.8","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 Ni O6 -","- C30 H30 N6 Ni O6 -","- C120 H120 N24 Ni4 O24 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71073","MoKα","","0.1451","0.0887","","","0.1835","0.2054","","","","","","1.089","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209636","8.2558","0.0017","10.82","0.002","14.719","0.003","90","","90","","90","","1314.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tb -","- C11 H15 O6 Tb -","- C44 H60 O24 Tb4 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.027","0.0246","","","0.0597","0.061","","","","","","1.082","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209637","8.1149","0.0016","10.823","0.002","14.712","0.003","90","","90","","90","","1292.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er O6 -","- C11 H15 Er O6 -","- C44 H60 Er4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.041","0.0377","","","0.0939","0.096","","","","","","1.049","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209638","8.1597","0.0016","10.818","0.002","14.716","0.003","90","","90","","90","","1299","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho O6 -","- C11 H15 Ho O6 -","- C44 H60 Ho4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0337","0.0302","","","0.07","0.072","","","","","","1.069","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209639","8.1878","0.0008","10.8856","0.0011","14.7371","0.0015","90","","90","","90","","1313.5","0.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy O6 -","- C11 H15 Dy O6 -","- C44 H60 Dy4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209728","5.8266","0.0002","17.2093","0.0007","23.5764","0.0001","90","","90","","90","","2364.05","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cd N2 O11 -","- C22 H30 Cd N2 O11 -","- C88 H120 Cd4 N8 O44 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.0593","0.0378","","","0.0763","0.084","","","","","","1.001","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209835","7.9242","0.0007","15.9274","0.0012","20.1872","0.0016","90","","90","","90","","2547.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Au2 Cl6 N6 -","- C19 H18 Au2 Cl6 N6 -","- C76 H72 Au8 Cl24 N24 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0263","0.0239","","","0.0568","0.0577","","","","","","1.045","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209866","10.8467","0.0015","14.129","0.002","26.79","0.004","90","","90","","90","","4105.6","1","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","? 4-(4-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C168 H108 Cl12 N48 O24 -","12","3","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0859","0.0449","","","0.0761","0.0883","","","","","","1.026","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209882","8.691","0.0004","12.9024","0.0007","14.6057","0.0008","90","","90","","90","","1637.81","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Co N4 S2 -","- C14 H14 Co N4 S2 -","- C56 H56 Co4 N16 S8 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0519","0.0353","","","0.0798","0.0875","","","","","","1.048","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209883","8.7299","0.0005","12.9","0.0006","14.6546","0.0006","90","","90","","90","","1650.34","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 S2 Zn -","- C14 H14 N4 S2 Zn -","- C56 H56 N16 S8 Zn4 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0602","0.0418","","","0.079","0.0847","","","","","","1.069","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209886","8.6064","0.0002","12.7726","0.0003","14.6199","0.0004","90","","90","","90","","1607.11","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0322","0.0291","","","0.0629","0.064","","","","","","1.111","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209888","8.6264","0.0004","12.7738","0.0004","14.6614","0.0004","90","","90","","90","","1615.57","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cl2 N4 S2 Zn -","- C12 H8 Cl2 N4 S2 Zn -","- C48 H32 Cl8 N16 S8 Zn4 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.033","0.0283","","","0.0618","0.0637","","","","","","1.037","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209944","7.936","0.002","12.2","0.003","34.428","0.007","90","","90","","90","","3333.3","1.4","80","2","80","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.54~L~0.46~)-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1684","0.0993","","","0.181","0.2168","","","","","","1.06","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209945","7.89","0.002","12.081","0.003","34.782","0.005","90","","90","","90","","3315.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.54~L~0.46~)-serinate methanol 1.57-solvate","","- C34.57 H42.28 N4 O11.57 -","- C34.57 H42.28 N4 O11.57 -","- C138.28 H169.12 N16 O46.28 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1454","0.0565","","","0.115","0.1388","","","","","","0.934","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209946","7.938","0.002","12.33","0.003","35.775","0.005","90","","90","","90","","3501.5","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.84~L~0.16~)-threoninate ethanol solvate 0.79-hydrate","","- C36 H45.61 N4 O11.81 -","- C36 H45.588 N4 O11.794 -","- C144 H182.352 N16 O47.176 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.54175","CuKα","","0.1631","0.0888","","","0.1948","0.2306","","","","","","0.834","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209948","7.88","0.003","12.092","0.002","34.308","0.006","90","","90","","90","","3269","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-D-alaninate methanol 1.61-solvate","","- C34.61 H42.45 N4 O10.61 -","- C34.615 H42.461 N4 O10.615 -","- C138.46 H169.844 N16 O42.46 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0798","0.0485","","","0.0972","0.1132","","","","","","1.032","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209949","7.919","0.002","12.266","0.003","34.42","0.005","90","","90","","90","","3343.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-L-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0867","0.0711","","","0.1577","0.1638","","","","","","1.14","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209951","7.826","0.002","12.048","0.003","35.119","0.006","90","","90","","90","","3311.3","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.73~L~0.27~)-alaninate propan-1-ol solvate","","- C36 H44 N4 O10 -","- C36 H44 N4 O10 -","- C144 H176 N16 O40 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.5417","CuKα","","0.0808","0.0684","","","0.1715","0.1959","","","","","","1.055","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209952","7.798","0.002","12.117","0.003","35.287","0.005","90","","90","","90","","3334.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.77~L~0.23~)-alaninate propan-1,2-diol solvate","","- C36 H44 N4 O11 -","- C36 H44 N4 O11 -","- C144 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1351","0.0773","","","0.1727","0.1912","","","","","","1.023","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209953","7.882","0.002","12.211","0.003","35.713","0.006","90","","90","","90","","3437.3","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.51~L~0.49~)-alaninate propan-1,3-diol solvate","","- C36 H44 N4 O11 -","- C36.003 H44.008 N4 O11.002 -","- C144.012 H176.032 N16 O44.008 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1498","0.0704","","","0.1648","0.216","","","","","","0.984","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209954","7.922","0.002","12.252","0.003","35.746","0.006","90","","90","","90","","3469.5","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.82~L~0.18~)-alaninate butanol-1,2-diol 0.82-solvate 0.27-hydrate","","- C36.28 H44.74 N4 O10.91 -","- C36.284 H44.21 N4 O10.911 -","- C145.136 H176.84 N16 O43.644 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1495","0.0659","","","0.1374","0.1737","","","","","","1.033","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209955","7.837","0.002","12.202","0.003","35.412","0.006","90","","90","","90","","3386.3","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.59~L~0.41~)-alaninate butanol-1,2-diol solvate","","- C37 H46 N4 O11 -","- C37 H46 N4 O11 -","- C148 H184 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1156","0.0719","","","0.1806","0.1954","","","","","","1.071","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209956","7.906","0.002","12.047","0.003","35.802","0.004","90","","90","","90","","3409.9","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.57~L~0.43~)-alaninate butan-1,4-diol solvate","","- C37 H46 N4 O11 -","- C37 H46 N4 O11 -","- C148 H184 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.2015","0.0436","","","0.0602","0.0831","","","","","","0.756","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209957","7.944","0.002","12.52","0.003","33.073","0.004","90","","90","","90","","3289.4","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-D-serinate trihydrate","","- C33 H42 N4 O13 -","- C33 H42 N4 O13 -","- C132 H168 N16 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0514","0.0353","","","0.0717","0.0758","","","","","","0.94","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209958","7.835","0.002","12.067","0.003","34.634","0.006","90","","90","","90","","3274.5","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-L-serinate methanol solvate hydrate","","- C34 H42 N4 O12 -","- C34 H42 N4 O12 -","- C136 H168 N16 O48 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1096","0.048","","","0.0825","0.0953","","","","","","0.882","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209959","12.47","0.003","13.622","0.003","14.178","0.004","90","","90","","90","","2408.4","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucine propan-1,2-diol solvate 0.19-hydrate","","- C26 H34.38 N2 O6.19 -","- C25.998 H34.369 N2 O6.185 -","- C103.992 H137.476 N8 O24.74 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0778","0.0588","","","0.1624","0.1797","","","","","","1.034","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209960","12.481","0.002","13.65","0.002","13.981","0.003","90","","90","","90","","2381.9","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucine butan-1,2-diol 0.84-solvate 0.16-hydrate","","- C26.37 H34.74 N2 O5.84 -","- C26.372 H34.43 N2 O5.844 -","- C105.488 H137.72 N8 O23.376 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.54175","CuKα","","0.0557","0.055","","","0.1489","0.1506","","","","","","1.048","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209964","9.586","0.0019","10.713","0.002","13.527","0.003","90","","90","","90","","1389.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cu N4 O3 -","- C13 H14 Cu N4 O3 -","- C52 H56 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0273","0.0237","","","0.064","0.0662","","","","","","0.88","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209965","9.589","0.0019","10.709","0.002","13.528","0.003","90","","90","","90","","1389.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cu N4 O3 -","- C13 H14 Cu N4 O3 -","- C52 H56 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0255","0.0235","","","0.0627","0.0635","","","","","","1.065","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209966","9.5958","0.0019","10.99","0.002","12.258","0.003","90","","90","","90","","1292.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cu N4 O3 -","- C12 H12 Cu N4 O3 -","- C48 H48 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0293","0.0238","","","0.0518","0.0525","","","","","","0.96","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7210037","6.3741","0.0012","8.417","0.0015","27.401","0.005","90","","90","","90","","1470.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F N O2 -","- C18 H16 F N O2 -","- C72 H64 F4 N4 O8 -","4","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0438","0.0407","","","0.1081","0.1101","","","","","","1.082","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210152","12.876","0.003","18.938","0.004","28.202","0.006","90","","90","","90","","6877","3","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H72 Cl N16 O40 V15 Zn4 -","- C16 H64 Cl N16 O40 V15 Zn4 -","- C64 H256 Cl4 N64 O160 V60 Zn16 -","4","1","","Zhou, Jian; Liu, Xing; Hu, Feilong; Chen, Rong; Zou, Huahong; Fu, Wensheng; Liang, Guoming; Chen, Yi","A novel 3-D chiral polyoxovanadate architecture based on breaking high symmetry of spherical [V15O36Cl]8− cluster","CrystEngComm","2013","15","23","4593","","10.1039/c3ce40280k","","","0.71073","MoKα","","0.0605","0.054","","","0.1528","0.1583","","","","","","1.059","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210153","3.8348","0.0009","12.718","0.003","14.067","0.003","90","","90","","90","","686.1","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.039","0.0354","","","0.089","0.0908","","","","","","1.04","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210201","10.1447","0.0007","13.8559","0.0009","26.1423","0.0017","90","","90","","90","","3674.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N4 O12 Pb2 -","- C32 H42 N4 O12 Pb2 -","- C128 H168 N16 O48 Pb8 -","4","1","","Lou, Xin-Hua; Xu, Chen; Li, Hong-Mei; Wang, Zhi-Qiang; Guo, Hui; Xue, Dong-Xu","Metal-directed topological diversity of three fluorescent metal‒organic frameworks based on a new tetracarboxylate strut","CrystEngComm","2013","15","23","4606","","10.1039/c3ce40443a","","","0.71073","MoKα","","0.0303","0.0271","","","0.0666","0.068","","","","","","1.046","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210334","8.006","0.002","11.184","0.003","34.465","0.005","90","","90","","90","","3086","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-(3,5-dinitrobenzoyl)-D-asparaginate 1.75-hydrate","","- C32 H35.5 N6 O11.75 -","- C32 H35.502 N6 O11.751 -","- C128 H142.008 N24 O47.004 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1026","0.0681","","","0.1489","0.1598","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210335","7.73","0.002","11.896","0.003","37.812","0.005","90","","90","","90","","3477","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-(3,5-dinitrobenzoyl)-L-asparaginate 5-hydrate","","- C32 H42 N6 O15 -","- C32 H42 N6 O15 -","- C128 H168 N24 O60 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.0671","0.0492","","","0.1076","0.1129","","","","","","1.038","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210339","6.371","0.002","9.26","0.002","22.629","0.004","90","","90","","90","","1335","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3,5-dinitrobenzoyl)-D-asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.0598","0.0423","","","0.0859","0.0911","","","","","","0.981","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210340","6.381","0.002","9.276","0.002","22.66","0.003","90","","90","","90","","1341.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3,5-dinitrobenzoyl)asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","1.54175","CuKα","","0.0919","0.0683","","","0.1646","0.1964","","","","","","1.06","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210399","6.0684","0.0006","7.6372","0.0009","16.005","0.002","90","","90","","90","","741.76","0.15","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NAC","N-Acetyl-L-cysteine","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C20 H36 N4 O12 S4 -","4","1","","Kumar, S. Sudalai; Nangia, Ashwini","A new conformational polymorph of N-acetyl-l-cysteine. The role of S‒H⋯O and C‒H⋯O interactions","CrystEngComm","2013","15","33","6498","","10.1039/c3ce40879e","","","0.71073","MoKα","","0.0718","0.0538","","","0.0864","0.0926","","","","","","1.109","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210444","7.9621","0.0002","12.726","0.0004","18.3006","0.0006","90","","90","","90","","1854.32","0.1","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cd N3 O8 -","- C17 H19 Cd N3 O8 -","- C68 H76 Cd4 N12 O32 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0305","0.0291","","","0.077","0.0781","","","","","","1.036","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210450","6.4063","0.001","8.1667","0.0013","23.311","0.004","90","","90","","90","","1219.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(HCaf)(HSO4)","Caffeinium Hydrogensulfate","","- C8 H12 N4 O6 S -","- C8 H12 N4 O6 S -","- C32 H48 N16 O24 S4 -","4","1","","Mottillo, Cristina; Lu, Yuneng; Pham, Minh-Hao; Cliffe, Matthew J.; Do, Trong-On; Friščić, Tomislav","Mineral neogenesis as an inspiration for mild, solvent-free synthesis of bulk microporous metal‒organic frameworks from metal (Zn, Co) oxides","Green Chemistry","2013","15","8","2121","","10.1039/c3gc40520f","","","0.71073","MoKα","","0.0712","0.043","","","0.0897","0.1006","","","","","","0.955","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210455","4.0813","0.0002","10.7319","0.0007","22.59","0.0011","90","","90","","90","","989.44","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NmoF","","","- C12 H9 F N2 O -","- C12 H9 F N2 O -","- C48 H36 F4 N8 O4 -","4","1","","Mocilac, Pavle; Lough, Alan J.; Gallagher, John F.","Structures and conformational analysis of a 3 x 3 isomer grid of nine N-(fluorophenyl)pyridinecarboxamides","CrystEngComm","2011","13","6","1899","","10.1039/c0ce00326c","","","0.71073","MoKα","","0.0848","0.0486","","","0.1074","0.1248","","","","","","1.04","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210486","6.0675","0.0003","6.9454","0.0003","19.8525","0.0008","90","","90","","90","","836.61","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 Br N O3 Pb -","- C6 H6 Br N O3 Pb -","- C24 H24 Br4 N4 O12 Pb4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Reversible solid state structural transformation of a polyhapto lead(ii) polymeric chain to a tetrahapto lead(ii) two-dimensional network by thermal dehydration with no change in nanoplate morphology","CrystEngComm","2011","13","6","2047","","10.1039/c0ce00404a","","","0.71073","MoKα","","0.0493","0.049","","","0.114","0.1141","","","","","","1.231","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210487","11.7518","0.0009","16.3475","0.0012","23.4131","0.0018","90","","90","","90","","4498","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H52 Cu2 N8 O14 -","- C38 H44 Cu2 N8 O14 -","- C152 H176 Cu8 N32 O56 -","4","1","","New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng","Supramolecular assembly of a new series of copper-l-arginine Schiff bases","CrystEngComm","2011","13","6","2114","","10.1039/c0ce00444h","","","0.71073","MoKα","","0.1135","0.0782","","","0.159","0.175","","","","","","1.073","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210491","6.78048","0.00006","18.42351","0.00023","5.86807","0.00006","90","","90","","90","","733.041","0.013","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 Ca O5 -","- C5 Ca O5 -","- C20 Ca4 O20 -","4","1","","Miller, Stuart R.; Horcajada, Patricia; Serre, Christian","Small chemical causes drastic structural effects: the case of calcium glutarate","CrystEngComm","2011","13","6","1894","","10.1039/c0ce00450b","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.06356","","3.66","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210509","13.1386","0.0002","26.5893","0.0006","26.6992","0.0005","90","","90","","90","","9327.3","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H118 Cl8 Dy4 N6 O66 -","- C42 H82 Cl8 Dy4 N6 O66 -","- C168 H328 Cl32 Dy16 N24 O264 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0574","0.0382","","","0.0481","0.0503","","","","","","0.825","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210510","13.0726","0.0002","26.5154","0.0004","26.5492","0.0003","90","","90","","90","","9202.6","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H118 Cl8 N6 O66 Yb4 -","- C42 H82 Cl8 N6 O66 Yb4 -","- C168 H328 Cl32 N24 O264 Yb16 -","4","1","","Peng, Jun-Bo; Ren, Yan-Ping; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A series of di-, tri- and tetranuclear lanthanide clusters with slow magnetic relaxation for Dy2 and Dy4","CrystEngComm","2011","13","6","2084","2090","10.1039/c0ce00589d","","","0.71073","MoKα","","0.0359","0.0286","","","0.0462","0.0471","","","","","","1.005","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210520","6.015","0.001","7.3126","0.0013","31.207","0.006","90","","90","","90","","1372.6","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime","1,2-Bis-(4-methoxy-phenyl)-ethane-1,2-dione monooxime","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","Klein, Cornelia; Fischer, Conrad; Seichter, Wilhelm; Schwarzer, Anke; Weber, Edwin","Crystal structures of benzil monoximes controlled through configurational isomerism, molecular substitution and external complexation","CrystEngComm","2011","13","6","1931","","10.1039/c0ce00620c","","","0.71073","MoKα","","0.0861","0.0733","","","0.1662","0.1709","","","","","","1.097","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210543","16.5736","0.0007","21.7897","0.0008","35.132","0.0014","90","","90","","90","","12687.4","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C82 H132 Eu2 O29 S17 -","- C82 H132 Eu2 O29 S17 -","- C328 H528 Eu8 O116 S68 -","4","1","","Li, Yu; Song, Datong","Syntheses, structures and luminescent properties of decorated lanthanide metal-organic frameworks of (E)-4,4'-(ethene-1,2-diyl)dibenzoic acids","CrystEngComm","2011","13","6","1821","1830","10.1039/c0ce00750a","","","0.71073","MoKα","","0.0859","0.061","","","0.1343","0.143","","","","","","1.035","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210566","8.029","0.0002","9.8549","0.0003","14.3776","0.0004","90","","90","","90","","1137.63","0.05","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Ag N3 P S -","- C6 H12 Ag N3 P S -","- C24 H48 Ag4 N12 P4 S4 -","4","1","","Jaros, Sabina W.; Smoleński, Piotr; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Pombeiro, Armando J. L.; Kirillov, Alexander M.","New silver BioMOFs driven by 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTAS): synthesis, topological analysis and antimicrobial activity","CrystEngComm","2013","15","40","8060","","10.1039/c3ce40913a","","","0.71069","MoKα","","0.0294","0.0258","","","0.0548","0.0559","","","","","","1.012","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210595","10.877","0.002","10.898","0.002","14.101","0.003","90","","90","","90","","1671.5","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cd N10 O2 S2 -","- C12 H8 Cd N10 O2 S2 -","- C48 H32 Cd4 N40 O8 S8 -","4","1","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.021","0.0209","","","0.0541","0.0542","","","","","","1.097","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210648","13.536","","9.938","","16.885","","90","","90","","90","","2271.38","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cd N5 O4 -","- C19 H23 Cd N5 O4 -","- C76 H92 Cd4 N20 O16 -","4","1","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.1166","0.05","","","0.1023","0.1341","","","","","","0.822","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210912","4.9534","0.0006","6.4415","0.0008","24.643","0.003","90","","90","","90","","786.29","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N O S -","- C7 H9 N O S -","- C28 H36 N4 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0442","0.0361","","","0.086","0.0896","","","","","","1.156","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210922","7.8795","0.0016","9.76","0.002","13.612","0.003","90","","90","","90","","1046.8","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,5,7-triazabicyclo[4.4.0]dec-5-ene.oxalicacid","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium.hydrogen oxalate","","- C9 H15 N3 O4 -","- C9 H15 N3 O4 -","- C36 H60 N12 O16 -","4","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids","CrystEngComm","2013","15","36","7321","","10.1039/c3ce40960k","","","0.71073","MoKα","","0.0304","0.0278","","","0.0692","0.071","","","","","","1.038","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210934","11.359","0.002","14.395","0.003","14.726","0.003","90","","90","","90","","2407.9","0.8","153.15","0.02","153.15","0.02","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Co N4 O13 P -","- C19 H27 Co N4 O13 P -","- C76 H108 Co4 N16 O52 P4 -","4","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0461","0.0382","","","0.078","0.0813","","","","","","0.998","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210935","11.272","0.002","14.383","0.003","14.72","0.003","90","","90","","90","","2386.5","0.8","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N4 Ni O13 P -","- C19 H27 N4 Ni O13 P -","- C76 H108 N16 Ni4 O52 P4 -","4","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0516","0.0406","","","0.0897","0.0941","","","","","","0.993","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211004","6.115","0.002","6.85","0.001","20.781","0.002","90","","90","","90","","870.5","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H14 Cl N O3 -","- C5 H14 Cl N O3 -","- C20 H56 Cl4 N4 O12 -","4","1","","Adhikari, Soma; Seth, Saikat Kumar; Kar, Tanusree","Structural studies and physicochemical properties of l-valine hydrochloride monohydrate","CrystEngComm","2013","15","36","7372","","10.1039/c3ce41079j","","","0.71073","MoKα","","0.0178","0.0178","","","0.0465","0.0465","","","","","","1.171","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211191","7.94506","0.0001","9.93697","0.00012","45.0334","0.0005","90","","90","","90","","3555.38","0.07","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cu3 N9 S6 -","- C30 H24 Cu3 N9 S6 -","- C120 H96 Cu12 N36 S24 -","4","1","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","1.5418","CuKα","","0.0473","0.0387","","","0.0857","0.0904","","","","","","1.048","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211220","10.184","0.001","24.895","0.003","10.777","0.002","90","","90","","90","","2732.3","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Br F4 Li N4 O4 -","- C20 H28 Br F4 Li N4 O4 -","- C80 H112 Br4 F16 Li4 N16 O16 -","4","1","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.1071","0.0486","","","0.1171","0.144","","","","","","1.013","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211221","6.197","0.004","8.635","0.002","28.79","0.009","90","","90","","90","","1540.6","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Cl F2 Li N2 O4 -","- C10 H6 Cl F2 Li N2 O4 -","- C40 H24 Cl4 F8 Li4 N8 O16 -","4","1","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.0395","0.0386","","","0.1069","0.1081","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211226","15.3869","0.0003","17.6799","0.0003","18.9791","0.0004","90","","90","","90","","5163.05","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Au3 Eu N18 -","- C48 H32 Au3 Eu N18 -","- C192 H128 Au12 Eu4 N72 -","4","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0403","0.0303","","","0.0561","0.0599","","","","","","0.9","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211227","15.366","0.002","17.645","0.002","18.959","0.003","90","","90","","90","","5140.4","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Au3 Gd N18 -","- C48 H29 Au3 Gd N18 -","- C192 H116 Au12 Gd4 N72 -","4","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0361","0.0278","","","0.051","0.0531","","","","","","0.973","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211252","8.8835","0.0008","9.2545","0.0008","28.075","0.003","90","","90","","90","","2308.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H4 Cl2 N2 O15 U2 -","- C14 H4 Cl2 N2 O15 U2 -","- C56 H16 Cl8 N8 O60 U8 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0277","0.0253","","","0.0551","0.0559","","","","","","1.071","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211259","8.8079","0.0004","12.2447","0.0004","12.525","0.0006","90","","90","","90","","1350.82","0.1","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 Ag Cl N O4 -","- C12 H15 Ag Cl N O4 -","- C48 H60 Ag4 Cl4 N4 O16 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.019","0.0181","","","0.0448","0.0451","","","","","","1.054","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211262","11.6969","0.0003","12.974","0.0003","20.015","0.0005","90","","90","","90","","3037.39","0.13","114","2","114","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Ag2 F6 N6 O7 S2 -","- C22 H28 Ag2 F6 N6 O7 S2 -","- C88 H112 Ag8 F24 N24 O28 S8 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0237","0.021","","","0.0423","0.0431","","","","","","0.995","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211268","10.4069","0.0002","13.8557","0.0004","37.5419","0.001","90","","90","","90","","5413.3","0.2","117","2","117","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 Ag4 Cl4 N12 O16 -","- C42 H60 Ag4 Cl4 N12 O16 -","- C168 H240 Ag16 Cl16 N48 O64 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0411","0.037","","","0.0897","0.0919","","","","","","1.132","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211299","7.693","0.0007","11.9132","0.0012","6.8954","0.0011","90","","90","","90","","631.95","0.13","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- B H6 Li N -","- B H6 Li N -","- B8 H48 Li8 N8 -","8","2","","He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping","Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.","Physical chemistry chemical physics : PCCP","2013","15","25","10487","10493","10.1039/c3cp51473k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.10008","","1.71","","","","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211313","9.7594","0.0004","18.5524","0.0006","18.8335","0.0005","90","","90","","90","","3410","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 Cl6 O8 -","- C30 H36 Cl6 O8 -","- C120 H144 Cl24 O32 -","4","1","","Haldar, Saikat; Kolet, Swati P.; Thulasiram, Hirekodathakallu V.","Biocatalysis: fungi mediated novel and selective 12β- or 17β-hydroxylation on the basic limonoid skeleton","Green Chemistry","2013","15","5","1311","","10.1039/c3gc40193f","","","0.71073","MoKα","","0.064","0.0553","","","0.1667","0.1767","","","","","","1.262","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211339","8.7","0.0002","11.4517","0.0003","23.0491","0.0008","90","","90","","90","","2296.38","0.11","200","2","200","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H86 N8 O43 Zn8 -","- C84 H86 N8 O43 Zn8 -","- C84 H86 N8 O43 Zn8 -","1","0.25","","Liu, Yen-Hsiang; Peng, Chia-Chien; Lee, Szu-Hsuan; Chien, Po-Hsiu; Wu, Pei-Chen","In situ resolved ligand chirality in preparing a chiral 3D zinc‒cyclopentane‒tetracarboxylate based coordination polymer","CrystEngComm","2013","15","47","10333","","10.1039/c3ce41143e","","x-ray","0.71073","MoKα","","0.1168","0.0596","","","0.1242","0.1482","","","","","","1.019","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211347","5.832","0.001","13.649","0.002","13.79","0.002","90","","90","","90","","1097.7","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Ca(H2alend).H2O","","","- C4 H13 Ca N O8 P2 -","- C4 H11 Ca N O8 P2 -","- C16 H44 Ca4 N4 O32 P8 -","4","1","","Alvarez, Elsa; Marquez, Alfonso Garcia; Devic, Thomas; Steunou, Nathalie; Serre, Christian; Bonhomme, Christian; Gervais, Christel; Izquierdo-Barba, Isabel; Vallet-Regi, Maria; Laurencin, Danielle; Mauri, Francesco; Horcajada, Patricia","A biocompatible calcium bisphosphonate coordination polymer: towards a metal-linker synergistic therapeutic effect?","CrystEngComm","2013","15","46","9899","","10.1039/c3ce41346b","","","0.71073","MoKα","","0.1139","0.094","","","0.235","0.2476","","","","","","1.115","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211447","10.0459","0.0002","11.4179","0.0003","15.4175","0.0003","90","","90","","90","","1768.43","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Bi N3 O4 S2 -","- C14 H14 Bi N3 O4 S2 -","- C56 H56 Bi4 N12 O16 S8 -","4","1","","Sun, Yan-Qiong; Ge, Su-Zhi; Liu, Qi; Zhong, Jie-Cen; Chen, Yi-Ping","A novel 3-D chiral bismuth‒organic framework with mixed carboxylate, pyridine and thiolate donors exhibiting a semiconductive property","CrystEngComm","2013","15","47","10188","","10.1039/c3ce41696h","","","0.71073","MoKα","","0.0364","0.0277","","","0.0547","0.058","","","","","","1.017","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211460","14.3266","0.0008","14.8667","0.0009","20.0581","0.0011","90","","90","","90","","4272.2","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H28 B F24 N2 -","- C42 H28 B F24 N2 -","- C168 H112 B4 F96 N8 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","1.54178","CuKα","","0.0556","0.0477","","","0.1226","0.1284","","","","","","1.041","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211481","23.6018","0.0003","26.1777","0.0005","28.6623","0.0005","90","","90","","90","","17708.7","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H132 N24 O90 Rh8 S24 Zn8 -","- C60 H132 N24 O90 Rh8 S24 Zn8 -","- C240 H528 N96 O360 Rh32 S96 Zn32 -","4","1","","Yoshinari, Nobuto; Yamashita, Ukyo; Konno, Takumi","A 1 : 1 intercluster compound consisting of +6 and −6 charged RhIII4ZnII4 octanuclear cations and anions with aminothiolate ligands","CrystEngComm","2013","15","46","10016","","10.1039/c3ce41800f","","","0.71075","MoKα","","0.0796","0.0574","","","0.1147","0.1254","","","","","","1.082","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211497","7.0621","0.0007","13.9243","0.0014","16.421","0.0016","90","","90","","90","","1614.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-bromo-2-(dimorpholinomethyl)phenol","4-bromo-2-(dimorpholinomethyl)phenol","","- C15 H21 Br N2 O3 -","- C15 H21 Br N2 O3 -","- C60 H84 Br4 N8 O12 -","4","1","","Hernández-Altamirano, Raúl; Mena-Cervantes, Violeta Y.; Perez-Miranda, Sandra; Fernández, Francisco J.; Flores-Sandoval, Cesar Andres; Barba, Victor; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.","Molecular design and QSAR study of low acute toxicity biocides with 4,4′-dimorpholyl-methane core obtained by microwave-assisted synthesis","Green Chemistry","2010","12","6","1036","","10.1039/b905153h","","","0.71073","MoKα","","0.0306","0.0266","","","0.0646","0.0664","","","","","","1.06","","","","has coordinates","287896","2023-11-30","16:33:04",""
"7211711","8.5795","0.001","13.7534","0.0012","20.8299","0.0018","90","","90","","90","","2457.9","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Bi Cu N5 O13 -","- C20 H22 Bi Cu N5 O13 -","- C80 H88 Bi4 Cu4 N20 O52 -","4","1","","Hazra, Susanta; Sasmal, Sujit; Nayak, Malabika; Sparkes, Hazel A.; Howard, Judith A. K.; Mohanta, Sasankasekhar","Syntheses and crystal structures of CuIIBiIII, CuIIBaIICuII, [CuIIPbII]2 and cocrystallized (UVIO2)2.4CuII complexes: structural diversity of the coordination compounds derived from N,N′-ethylenebis(3-ethoxysalicylaldiimine)","CrystEngComm","2010","12","2","470","","10.1039/b913408e","","","0.71073","MoKα","","0.0168","0.0151","","","0.0353","0.0358","","","","","","0.818","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211736","10.4927","0.0013","10.6448","0.0014","45.543","0.006","90","","90","","90","","5086.8","1.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 N8 O10 S Zn2 -","- C56 H42 N8 O10 S Zn2 -","- C224 H168 N32 O40 S4 Zn8 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0449","0.0353","","","0.0733","0.0761","","","","","","1.004","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211737","13.8544","0.0013","14.6245","0.0013","17.9282","0.0017","90","","90","","90","","3632.5","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 Cd N6 O9 S -","- C35 H38 Cd N6 O9 S -","- C140 H152 Cd4 N24 O36 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0535","0.0399","","","0.0869","0.1037","","","","","","1.033","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211739","8.7329","0.0002","11.2712","0.0003","27.1832","0.0007","90","","90","","90","","2675.65","0.12","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 Co N4 O6 S -","- C28 H22 Co N4 O6 S -","- C112 H88 Co4 N16 O24 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Five 3D metal‒organic frameworks constructed from V-shaped polycarboxylate acids and flexible imidazole-based ligands","CrystEngComm","2010","12","4","1175","","10.1039/b913942g","","","0.71073","MoKα","","0.0553","0.0415","","","0.089","0.1031","","","","","","1.068","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7211801","7.1434","0.0009","10.4147","0.0015","13.2477","0.0018","90","","90","","90","","985.6","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diethylamine chloroform clathrate (1:1)","diethylamine chloroform clathrate (1:1)","","- C5 H12 Cl3 N -","- C5 H12 Cl3 N -","- C20 H48 Cl12 N4 -","4","1","","Yufit, D. S.; Howard, J. A. K.","Low-melting molecular complexes of chloroform","CrystEngComm","2010","12","3","737","","10.1039/b914851e","","x-ray","0.71073","MoKα","K-L~3~","0.0422","0.0365","","","0.0933","0.0991","","","","","","1.016","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211827","6.77","0.0003","11.7365","0.0005","30.6874","0.0012","90","","90","","90","","2438.3","0.18","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 B F4 N4 O4 -","- C23 H25 B F4 N4 O4 -","- C92 H100 B4 F16 N16 O16 -","4","1","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Different spatial orientations of amide derivatives on anion coordination","CrystEngComm","2010","12","5","1562","","10.1039/b915230j","","","0.71073","MoKα","","0.1038","0.0628","","","0.1682","0.2012","","","","","","1.043","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211896","5.9003","0.0005","9.5998","0.001","19.1346","0.0015","90","","90","","90","","1083.82","0.17","150","2","150","","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","di(4-aminophenyl)methane","di(4-aminophenyl)methane","","- C13 H14 N2 -","- C13 H14 N2 -","- C52 H56 N8 -","4","1","","Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David","A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline.","Physical chemistry chemical physics : PCCP","2010","12","15","3824","3833","10.1039/b916368a","","x-ray","0.71073","MoKα","","0.1137","0.0586","","","0.0975","0.1099","","","","","","1.055","","","","has coordinates","180449","2020-10-21","18:00:00",""
"7211970","7.701","0.002","12.569","0.006","24.786","0.013","90","","90","","90","","2399.1","1.8","293","","293","","","","5300000","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4762","synchrotron","","0.0735","0.051","","0.1079","0.057","0.057","","","","","","1.0302","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211971","7.6475","0.0007","12.451","0.003","24.651","0.002","90","","90","","90","","2347.2","0.6","293","","293","","","","6000000","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4792","synchrotron","","0.0359","0.0277","","0.0277","0.0233","0.0233","","","","","","1.0753","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211972","7.6285","0.0008","12.299","0.003","24.555","0.003","90","","90","","90","","2303.8","0.7","293","","293","","","","6800000","","","","","4","P 21 21 21","P 2ac 2ab","19","Methyl 2-(9H-carbazol-9-yl)benzoate","","","- C20 H15 N O2 -","- C20 H15 N O2 -","- C160 H120 N8 O16 -","8","2","","Johnstone, Russell D. L.; Ieva, Maria; Lennie, Alistair R.; McNab, Hamish; Pidcock, Elna; Warren, John E.; Parsons, Simon","Pressure as a tool in crystal engineering: inducing a phase transition in a high-Z′ structure","CrystEngComm","2010","12","9","2520","","10.1039/b917290d","","","0.4792","synchrotron","","0.0408","0.0316","","0.0355","0.0276","0.0276","","","","","","1.0841","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212041","7.2438","0.0005","18.4781","0.0012","19.8909","0.0013","90","","90","","90","","2662.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 La N8 O14 -","- C20 H21 La N8 O14 -","- C80 H84 La4 N32 O56 -","4","1","","Khanjani, Somaye; Morsali, Ali; Retailleau, Pascal","Reversible crystal to crystal transformation of a hydrogen-bonded polymer to another in a solid-gas reaction along with morphology change: nano-particles to nano-rods conversion","CrystEngComm","2010","12","7","2173","","10.1039/b918746d","","","0.71073","MoKα","","0.0231","0.0215","","","0.0452","0.0464","","","","","","1.035","","","","has coordinates","180451","2020-10-21","18:00:00",""
"7212130","9.2204","0.0003","17.0061","0.0006","35.2109","0.0012","90","","90","","90","","5521.2","0.3","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H27 Cr N Na O14 S24 -","- C37 H27 Cr N Na O14 S24 -","- C148 H108 Cr4 N4 Na4 O56 S96 -","4","1","","Martin, Lee; Day, Peter; Horton, Peter; Nakatsuji, Shin'ichi; Yamada, Jun'ichi; Akutsu, Hiroki","Chiral conducting salts of BEDT-TTF containing a single enantiomer of tris(oxalato)chromate(III) crystallised from a chiral solvent","Journal of Materials Chemistry","2010","20","14","2738","","10.1039/b920224b","","","0.71073","MoKα","","0.0803","0.0635","","","0.1348","0.1425","","","","","","1.055","","","","has coordinates,has disorder","180452","2020-10-21","18:00:00",""
"7212174","3.8938","0.0004","5.5612","0.0006","28.566","0.008","90","","90","","90","","618.6","0.2","293","","293","","","","200000","","","","","4","P 21 21 21","P 2ac 2ab","19","Salicylamide","","","- C7 H7 N O2 -","- C7 H7 N O2 -","- C28 H28 N4 O8 -","4","1","","Johnstone, Russell D. L.; Lennie, Alistair R.; Parker, Stewart F.; Parsons, Simon; Pidcock, Elna; Richardson, Patricia R.; Warren, John E.; Wood, Peter A.","High-pressure polymorphism in salicylamide","CrystEngComm","2010","12","4","1065","","10.1039/b921288d","","","0.4754","synchrotron","","0.0932","0.0493","","0.1261","0.1062","0.1261","","","","","","1.0518","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212183","10.5932","0.0008","11.4042","0.0008","11.6692","0.0009","90","","90","","90","","1409.72","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O S -","- C17 H16 O S -","- C68 H64 O4 S4 -","4","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0636","0.0561","","","0.1417","0.148","","","","","","1.053","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212184","9.7552","0.0006","11.0921","0.0007","12.3352","0.0008","90","","90","","90","","1334.74","0.15","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O S -","- C17 H16 O S -","- C68 H64 O4 S4 -","4","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0342","0.0325","","","0.0835","0.0842","","","","","","1.044","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212186","7.6159","0.0005","10.3651","0.0007","17.2948","0.0012","90","","90","","90","","1365.24","0.16","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N O S -","- C16 H15 N O S -","- C64 H60 N4 O4 S4 -","4","1","","Kinuta, Takafumi; Yokoyama, Emi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Development of novel thioether compound for spontaneous chiral crystallization","CrystEngComm","2010","12","5","1394","","10.1039/b921416j","","","0.71073","MoKα","","0.0323","0.0303","","","0.0754","0.0762","","","","","","1","","","","has coordinates","180452","2020-10-21","18:00:00",""
"7212329","8.9219","0.0002","10.0914","0.0002","13.6763","0.0003","90","","90","","90","","1231.34","0.05","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 I O Re S3 -","- C6 H12 I O Re S3 -","- C24 H48 I4 O4 Re4 S12 -","4","1","","De Montigny, Frederic; Bast, Radovan; Gomes, Andre Severo Pereira; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Guy, Laure; Schwerdtfeger, Peter; Saue, Trond; Crassous, Jeanne","Chiral oxorhenium(V) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study.","Physical chemistry chemical physics : PCCP","2010","12","31","8792","8803","10.1039/b925050f","","","0.71073","MoKα","","0.0453","0.0339","","0.0528","0.0363","0.0342","","","","","","1.0952","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212330","8.1147","0.0003","10.5897","0.0004","16.4388","0.0005","90","","90","","90","","1412.62","0.09","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H17 O Re S4 -","- C8 H17 O Re S4 -","- C32 H68 O4 Re4 S16 -","4","1","","De Montigny, Frederic; Bast, Radovan; Gomes, Andre Severo Pereira; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Guy, Laure; Schwerdtfeger, Peter; Saue, Trond; Crassous, Jeanne","Chiral oxorhenium(V) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study.","Physical chemistry chemical physics : PCCP","2010","12","31","8792","8803","10.1039/b925050f","","","0.71073","MoKα","","0.0555","0.0325","","0.0469","0.029","0.029","","","","","","1.096","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212346","7.7574","0.0001","11.3316","0.0002","17.9221","0.0003","90","","90","","90","","1575.42","0.04","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-Ethoxycarbonyl-2-(4-chlorophenyl)-1,5-dihydro-4,1- benzothiazepine","3-Ethoxycarbonyl-2-(4-chlorophenyl)-1,5-dihydro-4,1-benzothiazepine","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C76 H76 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","1.54187","CuKα","","0.0275","0.027","","","0.0697","0.0699","","","","","","1.063","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212348","8.005","0.004","10.923","0.003","18.797","0.007","90","","90","","90","","1643.6","1.1","99","2","99","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","3-Ethoxycarbonyl-2-(4-methylphenyl)-1,5-dihydro-4,1- benzothiazepine","3-Ethoxycarbonyl-2-(4-methylphenyl)-1,5-dihydro-4,1-benzothiazepine","","- C18 H16 Cl N O2 S -","- C18 H16 Cl N O2 S -","- C72 H64 Cl4 N4 O8 S4 -","4","1","","Holczbauer, Tamás; Fábián, László; Csomós, Péter; Fodor, Lajos; Kálmán, Alajos","Annular desmotropy of three pairs of seven-membered heterocycles confirmed by X-ray crystallography","CrystEngComm","2010","12","6","1712","","10.1039/b925635k","","","0.7107","MoKα","","0.0517","0.0496","","","0.1148","0.1162","","","","","","1.257","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212365","8.449","0.0008","11.2583","0.0012","12.0738","0.0012","90","","90","","90","","1148.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O5 -","- C11 H13 N O5 -","- C44 H52 N4 O20 -","4","1","","Raihan, Mustafa J.; Kavala, Veerababurao; Kuo, Chun-Wei; Raju, B. Rama; Yao, Ching-Fa","‘On-water’ synthesis of chromeno-isoxazoles mediated by [hydroxy(tosyloxy)iodo]benzene (HTIB)","Green Chemistry","2010","12","6","1090","","10.1039/b926085d","","","0.71073","MoKα","","0.05","0.0366","","","0.0819","0.0885","","","","","","1.044","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212366","7.174","0.002","12.459","0.003","35.802","0.004","90","","90","","90","","3200","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-(DL)-serinate trihydrate","","- C33 H42 N4 O13 -","- C33 H34 N4 O13 -","- C132 H136 N16 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0864","0.08","","","0.2101","0.2146","","","","","","1.092","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212369","7.745","0.002","12.322","0.002","35.716","0.004","90","","90","","90","","3408.5","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(4-nitrobenzoyl)-(D!0.85$L!0.15$)-serinate methanol disolvate","brucinium N-(4-nitrobenzoyl)-(D~0.85~L~0.15~)-serinate methanol disolvate","","- C35 H44 N4 O12 -","- C35 H44 N4 O12 -","- C140 H176 N16 O48 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0515","0.0382","","","0.0868","0.0906","","","","","","0.984","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212370","7.706","0.002","12.31","0.003","35.644","0.005","90","","90","","90","","3381.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-D-serinate methanol disolvate","","- C35 H44 N4 O12 -","- C35 H44 N4 O12 -","- C140 H176 N16 O48 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1481","0.0713","","","0.1624","0.2392","","","","","","0.999","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212371","10.494","0.002","13.966","0.002","26.751","0.003","90","","90","","90","","3920.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-L-serinate methanol tetrasolvate","","- C37 H52 N4 O14 -","- C37 H52 N4 O14 -","- C148 H208 N16 O56 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.1372","0.0768","","","0.2104","0.2285","","","","","","1.007","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212376","9.332","0.002","12.953","0.003","26.793","0.005","90","","90","","90","","3238.7","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-L-serinate ethanol solvate","","- C35 H42 N4 O11 -","- C35 H42 N4 O11 -","- C140 H168 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0476","0.0416","","","0.1014","0.1038","","","","","","1.063","","","","has coordinates","180454","2020-10-21","18:00:00",""
"7212377","9.641","0.002","10.308","0.002","33.653","0.004","90","","90","","90","","3344.4","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-L-serinate ethanol solvate","","- C35 H42 N4 O11 -","- C35 H36 N4 O11 -","- C140 H144 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Crucial factors influencing racemic resolution of N-(4-nitrobenzoyl)-dl-serine by brucine","CrystEngComm","2010","12","10","2781","","10.1039/b926090k","","","0.71073","MoKα","","0.0561","0.0397","","","0.098","0.1095","","","","","","1.037","","","","has coordinates,has disorder","180454","2020-10-21","18:00:00",""
"7212383","7.8142","0.0013","15.916","0.003","16.116","0.003","90","","90","","90","","2004.4","0.6","123.1","","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Ichikawa, Akio; Ono, Hiroshi; Takenaka, Makiko; Mikata, Yuji","Crystal conformations and molecular packing of (S)-2-methoxy-2-(9-phenanthryl)propanoic acid and a diastereomeric amide prepared from (R)-2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2010","12","7","2261","","10.1039/b926356j","","","0.7107","MoKα","","","0.0417","","","","0.1021","","","","","","1.132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212384","7.3882","0.0009","12.1092","0.0016","16.307","0.002","90","","90","","90","","1458.9","0.3","123.1","","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","Ichikawa, Akio; Ono, Hiroshi; Takenaka, Makiko; Mikata, Yuji","Crystal conformations and molecular packing of (S)-2-methoxy-2-(9-phenanthryl)propanoic acid and a diastereomeric amide prepared from (R)-2-methoxy-2-(1-naphthyl)propanoic acid","CrystEngComm","2010","12","7","2261","","10.1039/b926356j","","","0.7107","MoKα","","","0.0299","","","","0.0799","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212440","5.1397","0.0001","10.6207","0.0001","24.9841","0.0005","90","","90","","90","","1363.81","0.04","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O5 S -","- C14 H13 N O5 S -","- C56 H52 N4 O20 S4 -","4","1","","Brondel, Nicolas; Moynihan, Eamonn J. A.; Lehane, K. Niamh; Eccles, Kevin S.; Elcoate, Curtis J.; Coles, Simon J.; Lawrence, Simon E.; Maguire, Anita R.","Does intermolecular SO⋯H‒C‒SO hydrogen bonding in sulfoxides and sulfones provide a robust supramolecular synthon in the solid state?","CrystEngComm","2010","12","10","2910","","10.1039/c000371a","","","0.71073","MoKα","","0.0302","0.028","","","0.0823","0.084","","","","","","1.207","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212470","6.8592","0.0009","8.975","0.0011","13.721","0.0017","90","","90","","90","","844.68","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","zinc sulfate","","","- H8 N2 O8 S2 Zn -","- H8 N2 O8 S2 Zn -","- H32 N8 O32 S8 Zn4 -","4","1","","Guo, Dong-Wei; Yao, Shi-Yan; Zhang, Gao; Tian, Yun-Qi","Chiral frameworks of ammonium zinc(ii) sulfate synthesized using an achiral template","CrystEngComm","2010","12","10","2989","","10.1039/c000475h","","","0.71073","MoKα","","0.0363","0.029","","","0.056","0.0593","","","","","","0.994","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212489","6.4832","0.0007","21.423","0.002","45.021","0.005","90","","90","","90","","6252.9","1.1","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cyclohexylammonium benzoate","","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C260 H380 N20 O40 -","20","5","","Odendal, James A.; Bruce, Jocelyn C.; Koch, Klaus R.; Haynes, Delia A.","Packing motifs in organic ammonium carboxylate salts: extension of the ring-stacking and ring-laddering concepts","CrystEngComm","2010","12","8","2398","","10.1039/c000922a","","","0.71073","MoKα","","0.04","0.0373","","","0.1307","0.139","","","","","","0.848","","","","has coordinates","180455","2020-10-21","18:00:00",""
"7212513","5.6163","0.0005","8.7795","0.0008","27.999","0.002","90","","90","","90","","1380.6","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.71073","MoKα","","0.0892","0.0533","","0.1286","0.1085","0.1286","","","","","","0.969","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7212514","5.3892","0.0003","8.4564","0.0004","27.564","0.004","90","","90","","90","","1256.2","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.4767","synchrotron","","0.0983","0.0435","","0.1102","0.0695","0.1102","","","","","","0.9901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212515","5.3033","0.0003","8.2132","0.0005","26.874","0.004","90","","90","","90","","1170.6","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.4767","synchrotron","","0.0596","0.0372","","0.1245","0.0804","0.1245","","","","","","1.0006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212516","5.2748","0.0002","8.3459","0.0003","25.496","0.003","90","","90","","90","","1122.41","0.14","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-glutamyl-L-cysteinylglycine","L-glutamyl-L-cysteinylglycine","","- C10 H17 N3 O6 S -","- C10 H17 N3 O6 S -","- C40 H68 N12 O24 S4 -","4","1","","Moggach, Stephen A.; Lennie, Alistair R.; Morrison, Carole A.; Richardson, Patricia; Stefanowicz, Fiona A.; Warren, John E.","Pressure induced phase transitions in the tripeptide glutathione to 5.24 GPa: the crystal structure of glutathione-II at 2.94 GPa and glutathione-III at 3.70 GPa","CrystEngComm","2010","12","9","2587","","10.1039/c001254h","","","0.4767","synchrotron","","0.0483","0.0212","","0.0449","0.034","0.0449","","","","","","1.1146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7212524","6.0186","0.0006","12.3298","0.0011","5.7828","0.0004","90","","90","","90","","429.13","0.06","298","","298","","","0.016","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","L-alanine-d8","L-alanine-d8","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.146","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212525","5.9004","0.001","12.298","0.002","5.7626","0.0008","90","","90","","90","","418.15","0.11","298","","298","","0.4","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","L-alanine-d8","L-alanine-d8","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.06","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212526","5.8204","0.0009","12.2496","0.0018","5.7419","0.0008","90","","90","","90","","409.38","0.1","298","","298","","0.77","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.104","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212527","5.783","0.0005","12.2194","0.0009","5.7287","0.0004","90","","90","","90","","404.82","0.05","298","","298","","1.025","0.014","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.183","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212528","5.7345","0.0004","12.1746","0.0007","5.7095","0.0003","90","","90","","90","","398.61","0.04","298","","298","","1.38","0.012","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","L-alanine-d8","L-alanine-d8","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.251","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212529","5.6369","0.0004","12.0464","0.0007","5.6628","0.0003","90","","90","","90","","384.53","0.04","298","","298","","2.302","0.014","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.324","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212530","5.5556","0.0003","11.911","0.0007","5.6233","0.0003","90","","90","","90","","372.11","0.04","298","","298","","3.206","0.014","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.251","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212531","5.485","0.0005","11.7729","0.001","5.5875","0.0005","90","","90","","90","","360.81","0.06","298","","298","","4.31","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.104","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212532","5.4221","0.0003","11.6457","0.0006","5.5564","0.0003","90","","90","","90","","350.85","0.03","298","","298","","5.426","0.019","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.259","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212533","5.3626","0.0004","11.5291","0.0009","5.5263","0.0004","90","","90","","90","","341.67","0.04","298","","298","","6.65","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.1","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212534","5.3105","0.0003","11.4299","0.0006","5.5015","0.0003","90","","90","","90","","333.93","0.03","298","","298","","8.03","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.232","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212535","5.2815","0.0005","11.3765","0.001","5.4879","0.0005","90","","90","","90","","329.74","0.05","298","","298","","8.82","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.085","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212536","5.2626","0.0003","11.3404","0.0006","5.4786","0.0003","90","","90","","90","","326.96","0.03","298","","298","","9.39","0.02","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.277","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212537","5.2459","0.0004","11.3088","0.0008","5.4696","0.0004","90","","90","","90","","324.48","0.04","298","","298","","9.87","0.03","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 D7 N O2 -","- C3 D7 N O2 -","- C12 D28 N4 O8 -","4","1","","Funnell, Nicholas P.; Dawson, Alice; Francis, Duncan; Lennie, Alistair R.; Marshall, William G.; Moggach, Stephen A.; Warren, John E.; Parsons, Simon","The effect of pressure on the crystal structure of l-alanine","CrystEngComm","2010","12","9","2573","","10.1039/c001296c","powder diffraction","neutron","","Neutron","","","","","","","","","","1.139","","","","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212554","10.9528","0.0002","13.6506","0.0002","26.0918","0.0004","90","","90","","90","","3901.04","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46.5 N4 O23.25 Zn2 -","- C32 H29 N4 O23.201 Zn2 -","- C128 H116 N16 O92.804 Zn8 -","4","1","","Abrahams, Brendan F.; Grannas, Martin J.; McCormick, Laura J.; Robson, Richard; Thistlethwaite, Peter J.","Chiral and achiral linear coordination polymers from aldaric acids","CrystEngComm","2010","12","10","2885","","10.1039/c001505a","","","1.54184","CuKα","","0.0532","0.0435","","","0.1228","0.1304","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212578","7.5406","0.0006","12.2655","0.001","18.374","0.0016","90","","90","","90","","1699.4","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cu3 I3 N4 -","- C12 H10 Cu3 I3 N4 -","- C48 H40 Cu12 I12 N16 -","4","1","","Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Xiao, Bo; Zhou, Li-Ming; Sun, Guang-Hui; Gao, Li-Jun; Du, Miao; Liu, Chun-Sen","Controllable assembly of copper(i)-iodide coordination polymers by tecton design of benzotriazol-1-yl-based pyridyl ligands: from 2D layer to 3D self-penetrating or homochiral networks","CrystEngComm","2010","12","7","2203","","10.1039/c002030n","","","0.71073","MoKα","","0.0846","0.0518","","","0.0699","0.0738","","","","","","0.972","","","","has coordinates","180456","2020-10-21","18:00:00",""
"7212672","15.826","0.0009","22.4438","0.0013","25.4429","0.0016","90","","90","","90","","9037.2","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyanocobalamin hydrate","5,6-Dimethylbenzimidazolyl cyanocobamide hydrate","","- C63 H135 Co N14 O37.5 P -","- C63 H88 Co N14 O23 P -","- C252 H352 Co4 N56 O92 P4 -","4","1","","Fabbiani, Francesca P. A.; Buth, Gernot; Dittrich, Birger; Sowa, Heidrun","Pressure-induced structural changes in wet vitamin B12","CrystEngComm","2010","12","9","2541","","10.1039/c003378b","","","0.71073","synchrotron","","0.0932","0.0731","","","0.206","0.2254","","","","","","1.021","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212673","15.9455","0.0004","21.0511","0.0005","23.8739","0.0008","90","","90","","90","","8013.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyanocobalamin hydrate","5,6-Dimethylbenzimidazolyl cyanocobamide hydrate","","- C63 H132 Co N14 O36 P -","- C63 H88 Co N14 O36 P -","- C252 H352 Co4 N56 O144 P4 -","4","1","","Fabbiani, Francesca P. A.; Buth, Gernot; Dittrich, Birger; Sowa, Heidrun","Pressure-induced structural changes in wet vitamin B12","CrystEngComm","2010","12","9","2541","","10.1039/c003378b","","","0.72","synchrotron","","0.0968","0.0665","","","0.1837","0.2165","","","","","","1.038","","","","has coordinates","180457","2020-10-21","18:00:00",""
"7212724","8.3369","0.0007","13.57","0.0011","28.493","0.002","90","","90","","90","","3223.5","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 Cl Cu N9 O6 S2 -","- C29 H26 Cl Cu N9 O6 S2 -","- C116 H104 Cl4 Cu4 N36 O24 S8 -","4","1","","Costa, José Sánchez; Castro, Adriana Gonzalez; Pievo, Roberta; Roubeau, Olivier; Modec, Barbara; Kozlevčar, Bojan; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Proficiency of the electron-deficient 1,3,5-triazine ring to generate anion‒π and lone pair‒π interactions","CrystEngComm","2010","12","10","3057","","10.1039/c004478d","","","0.7749","synchrotron","","0.0862","0.0771","","","0.1818","0.1853","","","","","","1.229","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212745","11.0385","0.0006","13.8805","0.0008","13.4773","0.0009","90","","90","","90","","2065","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 I2 P -","- C21 H21 I2 P -","- C84 H84 I8 P4 -","4","1","","Barnes, Nicholas A.; Flower, Kevin R.; Godfrey, Stephen M.; Hurst, Paul A.; Khan, Rana Z.; Pritchard, Robin G.","Structural relationships between o-, m- and p-tolyl substituted R3EI2 (E = As, P) and [(R3E)AuX] (E = As, P; X = Cl, Br, I)","CrystEngComm","2010","12","12","4240","","10.1039/c0ce00024h","","x-ray","0.71073","MoKα","","0.0799","0.0597","","","0.1512","0.1708","","","","","","1.129","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212770","4.0648","0.0004","15.6753","0.0014","21.9435","0.0019","90","","90","","90","","1398.2","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C80 H52 N4 O8 -","4","1","","Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Chiral crystallization of ether- and imide-bridged biphenyl compounds without any outside chiral source","CrystEngComm","2010","12","11","3483","","10.1039/c0ce00055h","","","0.71073","MoKα","","0.0439","0.0364","","","0.0751","0.0765","","","","","","0.924","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212781","8.5968","0.0008","9.756","0.0009","23.391","0.002","90","","90","","90","","1961.8","0.3","293","1","293","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","TADDOL FORM A","TADDOL FORM A","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Prasad, Kavirayani R.; Chandrakumar, Appayee; Dikundwar, Amol G.; Guru Row, T. N.","Polymorphism in a TADDOL analogue induced by the presence of a chiral impurity","CrystEngComm","2010","12","11","3452","","10.1039/c0ce00103a","","x-ray","0.71073","MoKα","","0.0664","0.0526","","","0.1068","0.1115","","","","","","1.15","","","","has coordinates","180458","2020-10-21","18:00:00",""
"7212785","8.5636","0.0015","9.392","0.006","28.1899","0.0017","90","","90","","90","","2267.3","1.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,3-dihexyl-benzimidazolium hexaflorophosphate","","","- C19 H31 F6 N2 P -","- C19 H31 F6 N2 P -","- C76 H124 F24 N8 P4 -","4","1","","Lee, Kwang-Ming; Lee, Ching-Kuan; Lin, Ivan J. B.","N,N′-Dihexylbenzimidazolium salts. Anion-controlled bilayer structures viaπ‒π dimer or C‒H⋯π catemer motifs","CrystEngComm","2010","12","12","4347","","10.1039/c0ce00105h","","","0.71073","MoKα","","0.1643","0.0829","","","0.1889","0.247","","","","","","0.995","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7212801","5.2025","0.0002","9.7343","0.0008","26.324","0.002","90","","90","","90","","1333.12","0.16","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-((2-methylbenzylidene)amino)-2-phenylacetamide","(S)-2-((2-methylbenzylidene)amino)-2-phenylacetamide","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","Leeman, Michel; Noorduin, Wim L.; Millemaggi, Alessia; Vlieg, Elias; Meekes, Hugo; van Enckevort, Willem J. P.; Kaptein, Bernard; Kellogg, Richard M.","Efficient Havinga‒Kondepudi resolution of conglomerate amino acid derivatives by slow cooling and abrasive grinding","CrystEngComm","2010","12","7","2051","","10.1039/c0ce00140f","","","0.71073","MoKα","","0.0794","0.0478","","","0.0829","0.0922","","","","","","1.088","","","","has coordinates","213925","2020-10-21","18:00:00",""
"7212818","7.1687","0.0002","13.7862","0.0004","23.3747","0.0006","90","","90","","90","","2310.1","0.11","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cu F6 K N2 O4 P -","- C20 H22 Cu F6 K N2 O4 P -","- C80 H88 Cu4 F24 K4 N8 O16 P4 -","4","1","","Sasmal, Sujit; Majumder, Samit; Hazra, Susanta; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar","Tetrametallic [2 ×1 + 1 ×2], octametallic double-decker‒triple-decker [5 ×1 + 3 ×1], hexametallic quadruple-decker and dimetallic-based one-dimensional complexes of copper(ii) and s block metal ions derived from N,N′-ethylenebis(3-ethoxysalicylaldimine)","CrystEngComm","2010","12","12","4131","","10.1039/c0ce00154f","","","0.71073","MoKα","","0.0477","0.0337","","","0.0552","0.0569","","","","","","0.865","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212854","8.1103","0.0006","8.7455","0.0008","13.0119","0.001","90","","90","","90","","922.92","0.13","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 N8 Zn -","- C8 H4 N8 Zn -","- C32 H16 N32 Zn4 -","4","1","","Liu, Wen-Ting; Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Spontaneous resolution of four-coordinate Zn(ii) complexes in the formation of three-dimensional metal‒organic frameworks","CrystEngComm","2010","12","11","3487","","10.1039/c0ce00206b","","","0.71073","MoKα","","0.0215","0.0194","","","0.0419","0.0425","","","","","","1.033","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212855","8.1094","0.0003","8.7499","0.0004","13.0128","0.0005","90","","90","","90","","923.34","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 N8 Zn -","- C8 H4 N8 Zn -","- C32 H16 N32 Zn4 -","4","1","","Liu, Wen-Ting; Ou, Yong-Cong; Lin, Zhuo-jia; Tong, Ming-Liang","Spontaneous resolution of four-coordinate Zn(ii) complexes in the formation of three-dimensional metal‒organic frameworks","CrystEngComm","2010","12","11","3487","","10.1039/c0ce00206b","","","0.71073","MoKα","","0.0217","0.0195","","","0.0435","0.0509","","","","","","1.092","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212891","9.0658","0.0001","14.1061","0.0003","16.5554","0.0003","90","","90","","90","","2117.16","0.06","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","artemisinin-orcinol 1/1","artemisinin-orcinol 1/1","","- C22 H30 O7 -","- C22 H30 O7 -","- C88 H120 O28 -","4","1","","Karki, Shyam; Friščić, Tomislav; Fábián, László; Jones, William","New solid forms of artemisinin obtained through cocrystallisation","CrystEngComm","2010","12","12","4038","","10.1039/c0ce00428f","","","0.71073","MoKα","","0.0723","0.0475","","","0.1076","0.1205","","","","","","1.032","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212892","6.8664","0.0005","12.4548","0.0012","23.4659","0.001","90","","90","","90","","2006.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((R)-1-phenylethylammonium).((2S)-[2-(4-isobutylphenyl)propanoate])","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0685","0.0519","","","0.1332","0.1461","","","","","","1.078","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212893","5.881","0.0005","15.259","0.0006","22.318","0.002","90","","90","","90","","2002.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","((S)-1-phenylethylammonium).((2S)-[2-(4-isobutylphenyl)propanoate])","","- C21 H29 N O2 -","- C21 H29 N O2 -","- C84 H116 N4 O8 -","4","1","","Lemmerer, Andreas; Bourne, Susan A.; Caira, Mino R.; Cotton, Jonathan; Hendricks, Umraan; Peinke, Laura C.; Trollope, Lee","Incorporating active pharmaceutical ingredients into a molecular salt using a chiral counterion","CrystEngComm","2010","12","11","3634","","10.1039/c0ce00043d","","","0.71073","MoKα","","0.0864","0.0676","","","0.157","0.1703","","","","","","1.098","","","","has coordinates","180459","2020-10-21","18:00:00",""
"7212903","8.9347","0.0016","12.25","0.002","16.332","0.003","90","","90","","90","","1787.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl N2 O -","- C19 H23 Cl N2 O -","- C76 H92 Cl4 N8 O4 -","4","1","","Clayden, Jonathan; Hennecke, Ulrich; Vincent, Mark A.; Hillier, Ian H.; Helliwell, Madeleine","The origin of the conformational preference of N,N'-diaryl-N,N'-dimethyl ureas.","Physical chemistry chemical physics : PCCP","2010","12","45","15056","15064","10.1039/c0cp00571a","","","0.71073","MoKα","","0.0462","0.0404","","","0.0929","0.0949","","","","","","1.059","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212907","9.3439","0.0008","13.2412","0.0011","15.8279","0.0013","90","","90","","90","","1958.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 S -","- C20 H26 O4 S -","- C80 H104 O16 S4 -","4","1","","Rosini, Goffredo; Paolucci, Claudio; Boschi, Francesca; Marotta, Emanuela; Righi, Paolo; Tozzi, Francesco","Acid promoted CIDT for the deracemization of dihydrocinnamic aldehydes with Betti's base","Green Chemistry","2010","12","10","1747","","10.1039/c0gc00013b","","","0.71073","MoKα","","0.0406","0.0355","","","0.0934","0.0988","","","","","","1.095","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212919","11.623","0.0004","14.4659","0.0005","19.0615","0.0007","90","","90","","90","","3204.9","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H35 Ir O2 P2 -","- C40 H35 Ir O2 P2 -","- C160 H140 Ir4 O8 P8 -","4","1","","Hung, Jui-Yi; Lin, Chen-Huey; Chi, Yun; Chung, Min-Wen; Chen, Yi-Ju; Lee, Gene-Hsiang; Chou, Pi-Tai; Chen, Chung-Chia; Wu, Chung-Chih","Phosphorescent Ir(iii) complexes bearing double benzyldiphenylphosphine cyclometalates; strategic synthesis, fundamental and integration for white OLED fabrication","Journal of Materials Chemistry","2010","20","36","7682","","10.1039/c0jm00653j","","","0.71073","MoKα","","0.0215","0.0205","","","0.0411","0.0414","","","","","","0.981","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212922","3.8834","0.0008","7.5943","0.0015","41.63","0.008","90","","90","","90","","1227.7","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H8 S3 -","- C16 H8 S3 -","- C64 H32 S12 -","4","1","","Li, Rongjin; Dong, Huanli; Zhan, Xiaowei; He, Yudong; Li, Hongxiang; Hu, Wenping","Single crystal ribbons and transistors of a solution processed sickle-like fused-ring thienoacene","Journal of Materials Chemistry","2010","20","29","6014","","10.1039/c0jm00963f","","","0.71073","MoKα","","0.0561","0.0413","","","0.1053","0.1304","","","","","","1.165","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212961","7.8955","0.0017","11.486","0.002","28.835","0.006","90","","90","","90","","2615","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H48 O4 -","- C28 H48 O4 -","- C112 H192 O16 -","4","1","","Drosihn, Susanne; Porzel, Andrea; Voigt, Brunhilde; Brandt, Wolfgang; Wagner, Christoph; Merzweiler, Kurt; Adam, Günter","Conformational studies of two new brassinosteroid analogues with a 22,23-trans diol function","Journal of the Chemical Society, Perkin Transactions 2","1999","","2","233","","10.1039/a807440b","","","0.71073","MoKα","","0.0442","0.0314","","","0.0719","0.0765","","","","","","0.968","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7212973","5.452","0.012","7.353","0.006","19.264","0.019","90","","90","","90","","772","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 N O2 S -","- C6 H11 N O2 S -","- C24 H44 N4 O8 S4 -","4","1","","Woydowski, Karsten; Fleischhauer, Jörg; Schiffer, Jan; Liebscher, Jürgen","Synthesis of optically active 3,4,5,6-tetrahydro-2H-1,4-thiazin-3-ones and their benzo analogues by ring transformation of glycidic esters","Journal of the Chemical Society, Perkin Transactions 1","1999","","2","149","","10.1039/a808111e","","","0.71073","MoKα","","0.0474","0.0434","","0.1317","0.1103","","","","1.079","1.077","1.077","","","","","has coordinates","180460","2020-10-21","18:00:00",""
"7213041","7.468","","15.348","0.018","18.528","","90","0.05","90","","90","0.01","2124","2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Butyl-4-nitroaniline","","- C10 H14 N2 O2 -","- C10 H14 N2 O2 -","- C80 H112 N16 O16 -","8","2","","Gangopadhyay, P.; Venugopal Rao, S.; Narayana Rao, D.; Radhakrishnan, T. P.","N-Alkyl-p-nitroanilines: impact of alkyl chain length on crystal structures and optical SHG","Journal of Materials Chemistry","1999","9","8","1699","","10.1039/a901591d","","","0.71073","MoKα","","0.1394","0.0551","","","0.1232","0.1778","","","","","","1.046","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213063","10.5115","0.0012","11.468","0.003","20.141","0.003","90","","90","","90","","2427.9","0.8","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 N2 O4 S2 -","- C23 H34 N2 O4 S2 -","- C92 H136 N8 O16 S8 -","4","1","","Alves, M. José; Bickley, Jamie F.; Gilchrist, Thomas L.","Diastereoselectivity in the addition and cycloaddition reactions of a chiral ester of 2H-azirine-3-carboxylic acid","Journal of the Chemical Society, Perkin Transactions 1","1999","","11","1399","","10.1039/a902182e","","","0.71073","MoKα","","0.044","0.0344","","","0.0779","0.0812","","","","","","0.974","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213070","6.0668","0.001","11.952","0.003","23.096","0.009","90","","90","","90","","1674.7","0.8","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","","Rae, Alastair; Aliev, Abil E.; Anderson, J. Edgar; Castro, José L.; Ker, James; Parsons, Simon; Stchedroff, Marc; Thomas, Steven; Tabor, Alethea B.","Preparation and structure of homochiral tetrahydro-2H-1,3-oxazines","Journal of the Chemical Society, Perkin Transactions 1","1999","","14","1933","","10.1039/a902667c","","","1.54184","CuKα","","0.2362","0.0997","","0.2847","0.2053","","","","1.012","1.335","1.335","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213074","7.6636","0.0015","17.584","0.004","21.553","0.004","90","","90","","90","","2904.4","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","EDT-TTF(CONHMe)","3-methylamido-3',4'ethylenedithiotetrathiafulvalene","","- C10 H9 N O S6 -","- C10 H9 N O S6 -","- C80 H72 N8 O8 S48 -","8","2","","Heuzé, Karine; Fourmigué, Marc; Batail, Patrick","The crystal chemistry of amide‐functionalized ethylenedithiotetrathiafulvalenes: EDT‐TTF‐CONRR′ (R, R′ = H, Me)","Journal of Materials Chemistry","1999","9","10","2373","","10.1039/a902852h","","","0.71073","MoKα","","0.0617","0.036","","0.0705","0.0643","","","","0.91","1.017","1.017","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213075","6.299","0.0013","7.886","0.002","29.631","0.006","90","","90","","90","","1471.9","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","EDT-TTF-CONMe2","3-dimethylamido-3',4'-ethylenedithiotetrathiafulvalene","","- C11 H11 N O S6 -","- C11 H11 N O S6 -","- C44 H44 N4 O4 S24 -","4","1","","Heuzé, Karine; Fourmigué, Marc; Batail, Patrick","The crystal chemistry of amide‐functionalized ethylenedithiotetrathiafulvalenes: EDT‐TTF‐CONRR′ (R, R′ = H, Me)","Journal of Materials Chemistry","1999","9","10","2373","","10.1039/a902852h","","","0.71073","Mo-Kα","","0.1987","0.047","","0.1998","0.1092","","","","0.921","0.936","0.936","","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213084","8.032","0.003","13.044","0.002","17.604","0.004","90","","90","","90","","1844.4","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N3 O2 S -","- C18 H21 N3 O2 S -","- C72 H84 N12 O8 S4 -","4","1","","Manh, Gabriel T.; Purseigle, Franck; Dubreuil, Didier; Pradère, Jean Paul; Guingant, André; Danion-Bougot, Renée; Danion, Daniel; Toupet, Loic","N-Thio- and N-selenophenacylamidines: electrophilic activation as a route to some 1-hetero-3-aza-4-dimethylaminobuta-1,3-dienes","Journal of the Chemical Society, Perkin Transactions 1","1999","","19","2821","","10.1039/a903150b","","","0.71069","MoKα","","0.0328","0.0327","","","0.1069","0.107","","","","","","1.18","","","","has coordinates","180461","2020-10-21","18:00:00",""
"7213093","9.758","0.002","17.425","0.001","19.072","0.001","90","","90","","90","","3242.9","0.7","150","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H45 N3 O4 -","- C36 H45 N3 O4 -","- C144 H180 N12 O16 -","4","1","","Enders, Dieter; Shilvock, John P.; Raabe, Gerhard","Asymmetric nucleophilic α-amino-acylation with metalated chiral amino nitriles: enantioselective synthesis of 3-substituted 5-amino-4-oxo-esters via asymmetric Michael addition","Journal of the Chemical Society, Perkin Transactions 1","1999","","12","1617","","10.1039/a903536b","","","","CuKα","","0.092","0.072","","0.08","0.075","","","","1.457","1.472","1.472","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7213122","15.127","0.009","17.123","0.005","11.304","0.004","90","","90","","90","","2928","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(±)-4a-Hydroxy-4,10a-bis(methoxycarbonyl)-2,11-dimethyl-12syn-(2-pyridyl)- 2,3,4,4at,10,10at-hexahydro-10c,4r-(iminomethano)-1H-pyrido[3,4-b]indolizinium perchlorate monohydroperchlorate","","- C23 H28 Cl2 N4 O14 -","- C23 H28 Cl2 N4 O14 -","- C92 H112 Cl8 N16 O56 -","4","1","","Kuhl, Ulrich; Cambareri, Antonella; Sauber, Christian; Sörgel, Fritz; Hartmann, Rudolf; Euler, Harald; Kirfel, Armin; Holzgrabe, Ulrike","Synthesis, X-ray analysis and spectroscopic characterization of the hemiaminal cyclization product from 2,4-dipyridine substituted 3,7-diazabicyclo[3.3.1]nonanone 1,5-diesters","Journal of the Chemical Society, Perkin Transactions 2","1999","","10","2083","","10.1039/a904472h","","","0.71069","MoKα","","0.2647","0.0955","","0.1568","0.1182","","","","1.026","1.2","1.2","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213131","8.201","0.002","9.792","0.003","16.905","0.006","90","","90","","90","","1357.5","0.7","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 B N Si -","- C12 H22 B N Si -","- C48 H88 B4 N4 Si4 -","4","1","","Ariffin, Azhar; Blake, Alexander J.; Ebden, Mark R.; Li, Wan-Sheung; Simpkins, Nigel S.; Fox, David N. A.","The diastereoselective and enantioselective substitution reactions of an isoindoline‒borane complex","Journal of the Chemical Society, Perkin Transactions 1","1999","","17","2439","","10.1039/a904788c","","","0.71073","MoKα","","0.041","0.0361","","","0.0822","0.086","","","","","","1.13","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213132","9.877","0.004","10.076","0.005","13.669","0.009","90","","90","","90","","1360.3","1.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 B N Si -","- C12 H22 B N Si -","- C48 H88 B4 N4 Si4 -","4","1","","Ariffin, Azhar; Blake, Alexander J.; Ebden, Mark R.; Li, Wan-Sheung; Simpkins, Nigel S.; Fox, David N. A.","The diastereoselective and enantioselective substitution reactions of an isoindoline‒borane complex","Journal of the Chemical Society, Perkin Transactions 1","1999","","17","2439","","10.1039/a904788c","","","0.71073","MoKα","","0.0643","0.0563","","","0.134","0.143","","","","","","1.03","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213152","12.0573","0.0014","14.6746","0.0017","34.231","0.004","90","","90","","90","","6056.7","1.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H76 Cl N14 Na O5 -","- C64 H71 Cl N14 Na O5 -","- C256 H284 Cl4 N56 Na4 O20 -","4","1","","Govenlock, Linda J.; Howard, Judith A. K.; Moloney, Janet M.; Parker, David; Peacock, Robert D.; Siligardi, Giuliano","Chiroptical features and luminescence behaviour of macrocyclic tetra(4-quinolyl)-complexes: surprising absence of exciton coupling","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2415","","10.1039/a905512f","","","0.6875","synchrotronradiationatDaresburyLaboratory","","0.1243","0.1044","","","0.2813","0.2916","","","","","","1.092","","","","has coordinates,has disorder","180462","2020-10-21","18:00:00",""
"7213167","6.341","0.001","11.558","0.001","21.415","0.004","90","","90","","90","","1569.5","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(tropan-3-yl)-1-para-methoxyphenyl-1-ethanone hydrochloride","","- C17 H24 Cl N O2 -","- C17 H24 Cl N O2 -","- C68 H96 Cl4 N4 O8 -","4","1","","Tavasli, Mustafa; O’Hagan, David; Batsanov, Andrei S.; Foxon, Graham R.; Halliwell, Robert F.; Howard, Judith A. K.","The synthesis, conformation and antimuscarinic properties of ketone analogues of tropane esters","Journal of the Chemical Society, Perkin Transactions 1","1999","","23","3455","","10.1039/a907130j","","","0.71073","MoKα","","0.0481","0.037","","","0.0806","0.0855","","","","","","1.056","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213173","5.754","0.002","8.139","0.002","24.873","0.002","90","","90","","90","","1164.8","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-propionyl-(S)-phenylalanine","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Banks, John W.; Batsanov, Andrei S.; Howard, Judith A. K.; O’Hagan, David; Rzepa, Henry S.; Martin-Santamaria, Sonsoles","The preferred conformation of α-fluoroamides","Journal of the Chemical Society, Perkin Transactions 2","1999","","11","2409","","10.1039/a907452j","","","1.54184","CuKα","","0.0467","0.0358","","0.1189","0.0786","","","","1.065","1.071","1.071","","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213188","9.525","0.002","14.705","0.003","24.448","0.005","90","","90","","90","","3424.3","1.2","243","1","243","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","none","N,N'-bis(9-phenyl-9-xanthenyl)-ethylenediamine.tetrahydrofuran inclusion complex","","- C44 H40 N2 O3 -","- C44 H40 N2 O3 -","- C176 H160 N8 O12 -","4","1","","Barton, Benita; Caira, Mino R.; McCleland, Cedric W.; Taljaard, Benjamin","Synthesis of N,N′-bis(9-phenylxanthen-9-yl)ethylenediamine and an investigation of its host‒guest inclusion potential","Journal of the Chemical Society, Perkin Transactions 2","2000","","4","865","","10.1039/a907232b","","","0.71069","MoKα","","0.1599","0.0512","","","0.1309","0.1465","","","","","","0.945","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213189","10.703","0.002","12.29","0.002","21.49","0.004","90","","90","","90","","2826.8","0.9","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O5 -","- C32 H34 O5 -","- C128 H136 O20 -","4","1","","ysek, Robert; Krajewski, Piotr; Urbańczyk-Lipkowska, Zofia; Furman, Bartłomiej; Kałuża, Zbigniew; Kozerski, Lech; Chmielewski, Marek","Conformation of chiral alkoxyallenes by proton NMR spectroscopy","Journal of the Chemical Society, Perkin Transactions 2","2000","","1","61","","10.1039/a907289f","","","1.54178","CuKα","","0.0419","0.0391","","","0.0996","0.102","","","","","","1.032","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213194","5.7212","0.0004","11.5757","0.0016","28.177","0.004","90","","90","","90","","1866.1","0.4","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 F N O2 P -","- C21 H21 F N O2 P -","- C84 H84 F4 N4 O8 P4 -","4","1","","Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D.","Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1271","","10.1039/a908086d","","","0.71073","MoKα","","0.0887","0.0521","","","0.1049","0.1171","","","","","","1.004","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213196","5.7208","0.0002","11.2412","0.0008","24.5839","0.0015","90","","90","","90","","1580.96","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 F N O2 P -","- C17 H19 F N O2 P -","- C68 H76 F4 N4 O8 P4 -","4","1","","Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D.","Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B","Journal of the Chemical Society, Perkin Transactions 1","2000","","8","1271","","10.1039/a908086d","","","0.71073","MoKα","","0.0717","0.0452","","","0.0924","0.1","","","","","","0.949","","","","has coordinates","180462","2020-10-21","18:00:00",""
"7213210","5.73","0.001","12.176","0.001","20.499","0.001","90","","90","","90","","1430.2","0.3","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O S -","- C16 H22 O S -","- C64 H88 O4 S4 -","4","1","","Hoffmann, Reinhard W.; Koberstein, Ralf","Chiral organometallic reagents. Part XXV.1 The stereochemistry of the ring opening of cyclopropylallyllithium compounds","Journal of the Chemical Society, Perkin Transactions 2","2000","","3","595","","10.1039/a908668d","","","1.54178","CuKα","","0.0448","0.0428","","","0.1305","0.1317","","","","","","1.213","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213214","5.903","0.001","7.652","0.001","28.437","0.001","90","","90","","90","","1284.5","0.3","173","0.1","173","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 F N O -","- C17 H12 F N O -","- C68 H48 F4 N4 O4 -","4","1","","Kolehmainen, Erkki; Ośmiałowski, Borys; Krygowski, Tadeusz M.; Kauppinen, Reijo; Nissinen, Maija; Gawinecki, Ryszard","Substituent and temperature controlled tautomerism: multinuclear magnetic resonance, X-ray, and theoretical studies on 2-phenacylquinolines","Journal of the Chemical Society, Perkin Transactions 2","2000","","6","1259","","10.1039/a908874a","","","0.71073","MoKα","","0.0975","0.052","","","0.098","0.1157","","","","","","1.025","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213225","6.116","0.001","16.34","0.002","22.124","0.004","90","","90","","90","","2211","0.6","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R^*^2'R^*^3'S^*^)-(hydroxy)(phenyl)[3'-phenyl-1'-(phenylmethyl)- -2'-aziridinyl]methylphosphonate","","- C24 H26 N O4 P -","- C24 H26 N O4 P -","- C96 H104 N4 O16 P4 -","4","1","","Wróblewski, Andrzej E.; Maniukiewicz, Waldemar; Karolczak, Wiesława","Unusual reactivity of cis-2-benzoyl-1-benzyl-3-phenylaziridine with P-nucleophiles—ring opening vs. the Abramov reaction","Journal of the Chemical Society, Perkin Transactions 1","2000","","9","1433","","10.1039/a909521g","","","1.54178","CuKα","","0.0581","0.035","","","0.0996","0.1127","","","","","","1.042","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213235","11.094","0.002","28.75","0.002","5.363","0.003","90","","90","","90","","1710.5","1","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br O5 -","- C18 H17 Br O5 -","- C72 H68 Br4 O20 -","4","1","","Russell, Michael G. N.; Baker, Raymond; Ball, Richard G.; Thomas, Steven R.; Tsou, Nancy N.; Castro, José L.","Asymmetric synthesis of the northern segment of ephedradine C","Journal of the Chemical Society, Perkin Transactions 1","2000","","6","893","","10.1039/a909816j","","","1.54184","CuKα","","","0.0446","","","0.156","","","","","1.168","1.168","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213236","11.799","0.004","25.651","0.006","7.991","0.006","90","","90","","90","","2419","2","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O7 -","- C24 H29 N O7 -","- C96 H116 N4 O28 -","4","1","","Russell, Michael G. N.; Baker, Raymond; Ball, Richard G.; Thomas, Steven R.; Tsou, Nancy N.; Castro, José L.","Asymmetric synthesis of the northern segment of ephedradine C","Journal of the Chemical Society, Perkin Transactions 1","2000","","6","893","","10.1039/a909816j","","","1.54184","CuKα","","","0.069","","","0.166","","","","","1.272","1.272","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213250","9.824","0.002","13.368","0.002","22.34","0.006","90","","90","","90","","2933.9","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 N O9 Si -","- C23 H43 N O9 Si -","- C92 H172 N4 O36 Si4 -","4","1","","Kocienski, Philip; Narquizian, Robert; Raubo, Piotr; Smith, Christopher; Farrugia, Louis J.; Muir, Kenneth; Boyle, F. Thomas","Synthetic studies on the pederin family of antitumour agents. Syntheses of mycalamide B, theopederin D and pederin","Journal of the Chemical Society, Perkin Transactions 1","2000","","15","2357","","10.1039/a909898d","","","0.71073","MoKα","","0.1277","0.0825","","","0.228","0.2709","","","","","","1.044","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213276","9.3103","0.0005","12.5249","0.0007","28.9201","0.0018","90","","90","","90","","3372.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H45 Br Cl2 O2 -","- C34 H43 Br O2 -","- C136 H172 Br4 O8 -","4","1","","Dinger, Maarten B.; Scott, Michael J.","Hydroxy-substituted triarylcarbenium bromides. Synthesis, structure, derivatization and facile conversion to highly substituted xanthenes †","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1741","","10.1039/b001032o","","","0.71073","MoKα","","0.0577","0.0471","","","0.1054","0.1109","","","","","","1.059","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213299","7.0902","0.0007","21.273","0.003","31.004","0.004","90","","90","","90","","4676.3","1","208","2","208","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cefadroxil/2,7-dihydroxynaphthalene","","- C42 H56 N6 O19 S2 -","- C42 H42 N6 O19 S2 -","- C168 H168 N24 O76 S8 -","4","1","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.1394","0.1085","","0.3064","0.2737","0.3064","","","1.092","","","1.092","","","","has coordinates","180463","2020-10-21","18:00:00",""
"7213300","7.1079","0.0018","21.863","0.005","32.306","0.004","90","","90","","90","","5020.4","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cefadroxil/2,6-dihydroxynaphthalene","","- C42 H60 N6 O21 S2 -","- C42 H42 N6 O21 S2 -","- C168 H168 N24 O84 S8 -","4","1","","Kemperman, Gerardus J.; de Gelder, Rene; Dommerholt, Frederik J.; Raemakers-Franken, Petronella C.; Klunder, Antonius J. H.; Zwanenburg, Binne","Induced fit phenomena in clathrate structures of cephalosporins","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1425","","10.1039/b001692f","","","1.54184","CuKα","","0.1557","0.0771","","0.2369","0.1898","0.2369","","","1.046","","","1.046","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213310","9.4387","0.0011","18.424","0.002","19.358","0.002","90","","90","","90","","3366.3","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 N3 O12 P4 -","- C30 H27 N3 O12 P4 -","- C120 H108 N12 O48 P16 -","4","1","","Wang, Wenhu; Cao, Ruzhen; Liu, Lunzu","The synthesis of novel trisphosphoranylphosphine and its oxide","Journal of the Chemical Society, Perkin Transactions 1","2000","","11","1673","","10.1039/b001917h","","","0.71073","MoKα","","0.0627","0.0598","","","0.0758","0.1036","","","","","","0.817","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213312","8.5736","0.0015","12.007","0.003","12.669","0.002","90","","90","","90","","1304.2","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Ali, Akbar; Uddin Ahmad, Viqar; Leistner, Joachim; Liebscher, Jürgen","Optically active 1,5-benzothiazepin-4-ones by ring transformation of 5-ylidene-1,3-dioxan-4-ones with 2-aminothiophenol","Journal of the Chemical Society, Perkin Transactions 1","2000","","12","1897","","10.1039/b001928n","","","0.71073","MoKα","","0.027","0.0238","","","0.0537","0.0546","","","","","","1.021","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213337","7.9732","0.0007","10.1799","0.0012","15.57","0.002","90","","90","","90","","1263.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N O3 -","- C13 H16 N O3 -","- C52 H64 N4 O12 -","4","1","","Bottle, Steven E.; Gillies, Duncan G.; Hughes, David L.; Micallef, Aaron S.; Smirnov, Alex I.; Sutcliffe, Leslie H.","Synthesis, single crystal X-ray structure and W-band (95 GHz) EPR spectroscopy of a new anionic isoindoline aminoxyl: synthesis and characterisation of some derivatives","Journal of the Chemical Society, Perkin Transactions 2","2000","","7","1285","","10.1039/b002497j","","","0.71069","Mo-Kα","","0.037","0.0326","","0.0828","0.0791","","","","1.066","1.096","1.096","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213339","9.591","0.002","12.8947","0.0009","14.871","0.002","90","","90","","90","","1839.1","0.5","193.2","","193.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","1","","Banwell, Martin; Edwards, Alison; Harvey, Joanne; Hockless, David; Willis, Anthony","π-Allyl cation cyclisations initiated by silver(I)-promoted electrocyclic ring opening of ring-fused gem-dibromocyclopropanes possessing tethered nucleophiles: the influence of chiral auxiliaries on the diastereoselectivity of cyclisations involving meso-substrates","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2175","","10.1039/b002525i","","","1.5418","CuKα","","0.0205","0.0198","","0.0266","","0.0264","","","1.163","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213340","7.08","0.003","9.637","0.001","29.064","0.002","90","","90","","90","","1983","0.9","193.2","","193.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 Br2 N O2 -","- C18 H29 Br2 N O2 -","- C72 H116 Br8 N4 O8 -","4","1","","Banwell, Martin; Edwards, Alison; Harvey, Joanne; Hockless, David; Willis, Anthony","π-Allyl cation cyclisations initiated by silver(I)-promoted electrocyclic ring opening of ring-fused gem-dibromocyclopropanes possessing tethered nucleophiles: the influence of chiral auxiliaries on the diastereoselectivity of cyclisations involving meso-substrates","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2175","","10.1039/b002525i","","","1.5418","CuKα","","0.036","0.0326","","0.0416","","0.0412","","","2.48","","","2.562","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213347","11.952","0.002","13.551","0.002","17.076","0.003","90","","90","","90","","2765.7","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 Br O12 -","- C22 H33 Br O12 -","- C88 H132 Br4 O48 -","4","1","","Idris, M. Sum; Larsen, David S.; Pritchard, Robin G.; Schofield, Anthony; Stoodley, Richard J.; Tiffin, Peter D.","Regio- and stereo-selective bromo(alkoxylation)s of (E )-α-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyloxymethylene) carbonyl compounds. A route to near-stereopure α-bromo α-dioxymethyl carbonyl compounds †","Journal of the Chemical Society, Perkin Transactions 1","2000","","14","2195","","10.1039/b002749i","","","0.71069","MoKα","","0.1175","0.0731","","","0.1346","0.1438","","","","","","1.346","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213348","8.567","0.003","12.272","0.014","16.895","0.003","90","","90","","90","","1776","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 -","- C21 H30 O4 -","- C84 H120 O16 -","4","1","","Boehm, Haydn M.; Handa, Sandeep; Pattenden, Gerald; Roberts, Lee; Blake, Alexander J.; Li, Wan-Sheung","Cascade radical cyclisations leading to steroid ring constructions. Regio- and stereo-chemical studies using ester- and fluoro-alkene substituted polyene acyl radical intermediates","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3522","","10.1039/b002999h","","","0.71073","MoKα","","0.131","0.035","","","0.0582","0.0821","","","","","","0.406","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213350","17.527","0.002","15.29","0.002","6.912","0.001","90","","90","","90","","1852.3","0.4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","D-PGd-CS","D-phenylglycine(1S)-(+)-camphor-10-sulfonate","","- C18 H25 N O6 S -","- C18 H25 N O6 S -","- C72 H100 N4 O24 S4 -","4","1","","Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi","Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2121","","10.1039/b003068f","","","1.54178","CuKα","","0.0576","0.0545","","","0.1517","0.1551","","","","","","1.023","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213352","7.261","0.001","22.781","0.002","5.438","0.001","90","","90","","90","","899.5","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","L-PGHCl","L-enylglycine hydrochloride","","- C8 H10 Cl N O2 -","- C8 H10 Cl N O2 -","- C32 H40 Cl4 N4 O8 -","4","1","","Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi","Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2121","","10.1039/b003068f","","","1.54178","CuKα","","0.027","0.0266","","","0.1022","0.103","","","","","","0.989","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213360","8.635","0.002","14.707","0.004","22.891","0.012","90","","90","","90","","2907","1.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Tetra-(4-chlorophenyl)ethene p-xylene inclusion compound (3.pXy)","","- C34 H26 Cl4 -","- C34 H26 Cl4 -","- C136 H104 Cl16 -","4","1","","Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio","Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2115","","10.1039/b003473h","","","0.71073","MoKα","","0.094","0.034","","","0.071","0.084","","","","","","1.037","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213361","9.3337","0.0002","15.1835","0.0003","21.9443","0.0005","90","","90","","90","","3109.91","0.12","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tetra-(4-bromophenyl)ethene THF inclusion compound (2.THF)","","- C34 H32 Br4 O2 -","- C34 H32 Br4 O2 -","- C136 H128 Br16 O8 -","4","1","","Tanaka, Koichi; Fujimoto, Daisuke; Altreuther, A.; Oeser, Thomas; Irngartinger, Hermann; Toda, Fumio","Chiral inclusion crystallization of achiral tetrakis( p-halophenyl)ethylenes with achiral guest compounds","Journal of the Chemical Society, Perkin Transactions 2","2000","","10","2115","","10.1039/b003473h","","","0.71073","MoKα","","0.093","0.052","","","0.082","0.093","","","","","","1.04","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213367","12.033","0.002","12.768","0.001","6.244","0.002","90","","90","","90","","959.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 N4 O2 -","- C8 H12 N4 O2 -","- C32 H48 N16 O8 -","4","1","","Derrer, Sam; Davies, John E.; Holmes, Andrew B.","Synthesis and conformational analysis of a dimerising eight-membered lactam dipeptide","Journal of the Chemical Society, Perkin Transactions 1","2000","","17","2943","","10.1039/b003789n","","","0.71069","MoKα","","0.1165","0.0527","","0.1892","0.1309","","","","1.043","1.079","1.079","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213368","14.871","0.003","18.478","0.005","9.682","0.003","90","","90","","90","","2660.5","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","- C88 H152 N24 O24 -","8","2","","Derrer, Sam; Davies, John E.; Holmes, Andrew B.","Synthesis and conformational analysis of a dimerising eight-membered lactam dipeptide","Journal of the Chemical Society, Perkin Transactions 1","2000","","17","2943","","10.1039/b003789n","","","0.71069","MoKα","","0.2018","0.0592","","0.2824","0.1399","","","","1.08","1.199","1.199","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213372","7.131","0.001","12.598","0.002","13.699","0.002","90","","90","","90","","1230.7","0.3","228","2","228","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C64 H44 N4 O4 S4 -","4","1","","Tandel, Sagun; Wang, Anlai; Zhang, Hongming; Yousuf, Pervaiz; Biehl, Edward R.","Investigation of the reaction of 2-bromo-1-naphthol with arylacetonitriles and LiTMP: facile synthesis of 3-arylmethyl-1-hydroxynaphthalene-2-carbonitriles","Journal of the Chemical Society, Perkin Transactions 1","2000","","18","3149","","10.1039/b003935g","","","0.71073","MoKα","","0.0445","0.0322","","0.0897","0.0769","","","","1.04","1.048","1.048","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213373","9.311","0.002","11.104","0.002","17.245","0.003","90","","90","","90","","1782.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O6 -","- C16 H28 N2 O6 -","- C64 H112 N8 O24 -","4","1","","Gravestock, Michael B.; Knight, David W.; Malik, K. M. Abdul; Thornton, Steven R.","A new version of the reverse-Cope elimination initiated by the nucleophilic addition of allylamines to nitrones: a synthesis of vicinal diamines","Journal of the Chemical Society, Perkin Transactions 1","2000","","19","3292","","10.1039/b003959o","","","0.71073","MoKα","","0.1139","0.0541","","0.1329","0.1136","","","","0.938","1.075","1.075","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213394","5.1199","0.0013","13.998","0.004","24.286","0.006","90","","90","","90","","1740.5","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Simpson, Alison F.; Bodkin, Corinna D.; Butts, Craig P.; Armitage, Mark A.; Gallagher, Timothy","Asymmetric reduction of prochiral cycloalkenones. The influence of exocyclic alkene geometry","Journal of the Chemical Society, Perkin Transactions 1","2000","","18","3047","","10.1039/b004540n","","","0.71073","MoKα","","0.1002","0.05","","0.1033","0.0878","","","","0.969","1.049","1.049","","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213399","5.3697","0.0003","16.3416","0.0014","21.7265","0.0018","90","","90","","90","","1906.5","0.3","123","1","123","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CSF93/Spivey/AN-Wafers/4999/12-3-99.","","","- C23 H24 N2 O2 -","- C23 H24 N2 O2 -","- C92 H96 N8 O8 -","4","1","","Spivey, Alan C.; Maddaford, Adrian; Fekner, Tomasz; Redgrave, Alison J.; Frampton, Christopher S.","Synthesis of C2-symmetric analogues of 4-(pyrrolidino)pyridine: new chiral nucleophilic catalysts","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3460","","10.1039/b004704j","","","0.71073","MoKα","","0.0338","0.0298","","","0.0789","0.0806","","","","","","1.002","","","","has coordinates","180464","2020-10-21","18:00:00",""
"7213404","13.294","0.002","15.467","0.002","12.047","0.001","90","","90","","90","","2477.1","0.5","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 N O2 -","- C34 H25 N O2 -","- C136 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Masu, Hyuma; Tatsuno, Chuya; Kishikawa, Keiki; Yamamoto, Makoto; Yamaguchi, Kentaro","Diastereoselective intramolecular [4 + 4] photocycloaddition reaction of N-(naphthylcarbonyl)anthracene-9-carboxamides: temperature effects and reversal of diastereoselectivity","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4464","","10.1039/b005142j","","","1.5418","CuKα","","","0.0887","","","0.0896","","","","","1.102","1.102","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213405","13.9906","0.0009","22.06","0.001","8.082","0.001","90","","90","","90","","2494.4","0.4","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 N O2 -","- C34 H25 N O2 -","- C136 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Masu, Hyuma; Tatsuno, Chuya; Kishikawa, Keiki; Yamamoto, Makoto; Yamaguchi, Kentaro","Diastereoselective intramolecular [4 + 4] photocycloaddition reaction of N-(naphthylcarbonyl)anthracene-9-carboxamides: temperature effects and reversal of diastereoselectivity","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4464","","10.1039/b005142j","","","1.5418","CuKα","","","0.0399","","","0.0384","","","","","1.647","1.647","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213406","12.384","0.002","21.405","0.002","9.292","0.002","90","","90","","90","","2463.1","0.7","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H25 N O2 -","- C34 H25 N O2 -","- C136 H100 N4 O8 -","4","1","","Kohmoto, Shigeo; Masu, Hyuma; Tatsuno, Chuya; Kishikawa, Keiki; Yamamoto, Makoto; Yamaguchi, Kentaro","Diastereoselective intramolecular [4 + 4] photocycloaddition reaction of N-(naphthylcarbonyl)anthracene-9-carboxamides: temperature effects and reversal of diastereoselectivity","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4464","","10.1039/b005142j","","","1.5418","CuKα","","","0.0395","","","0.04","","","","","2.798","2.798","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213407","8.715","0.002","18.175","0.005","21.948","0.005","90","","90","","90","","3476.5","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl N O7 -","- C16 H20 Cl N O7 -","- C128 H160 Cl8 N8 O56 -","8","2","","Boyd, Derek R.; Sharma, Narain D.; Barr, Stephen A.; Carroll, Jonathan G.; Mackerracher, Donald; Malone, John F.","Synthesis and absolute stereochemistry assignment of enantiopure dihydrofuro- and dihydropyrano-quinoline alkaloids","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3397","","10.1039/b005285j","","","1.54178","CuKα","","0.1119","0.0885","","","0.2253","0.2506","","","","","","1.012","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213409","10.33","0.003","11.287","0.004","21.203","0.006","90","","90","","90","","2472.2","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Br F3 N O5 -","- C25 H23 Br F3 N O5 -","- C100 H92 Br4 F12 N4 O20 -","4","1","","Boyd, Derek R.; Sharma, Narain D.; Barr, Stephen A.; Carroll, Jonathan G.; Mackerracher, Donald; Malone, John F.","Synthesis and absolute stereochemistry assignment of enantiopure dihydrofuro- and dihydropyrano-quinoline alkaloids","Journal of the Chemical Society, Perkin Transactions 1","2000","","20","3397","","10.1039/b005285j","","","0.71073","MoKα","","0.1472","0.0685","","","0.128","0.1526","","","","","","0.896","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213430","9.538","0.002","16.348","0.004","8.395","0.002","90","","90","","90","","1309","0.5","123","","123","","","","","","","","ether/ pet. ether solution","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Kennedy, Alan R.; Kerr, William J.; Lindsay, David M.; Scott, James S.; Watson, Stephen P.","Stereochemical and mechanistic features of asymmetric Pauson‒Khand processes","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4366","","10.1039/b006523o","","","0.71069","MoKα","","0.0518","0.0363","","0.0448","0.0429","","","","","1.525","1.525","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213436","8.6255","0.0003","9.9353","0.0004","22.5592","0.0007","90","","90","","90","","1933.25","0.12","160","2","160","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N -","- C24 H27 N -","- C96 H108 N4 -","4","1","","Wyatt, Paul; Butts, Craig P.; Patel, Vipulkumar; Voysey, Ben","Synthesis of the novel amine (R*,R*,R*)-tris(α-methylbenzyl)amine. X-Ray crystal structures of racemic and enantiomerically pure forms","Journal of the Chemical Society, Perkin Transactions 1","2000","","24","4222","","10.1039/b007710k","","","1.54184","CuKα","","0.0322","0.0311","","","0.0809","0.0827","","","","","","1.05","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213438","10.615","0.001","14.277","0.001","7.838","0.001","90","","90","","90","","1187.9","0.2","297.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 Cl N O4 -","- C11 H12 Cl N O4 -","- C44 H48 Cl4 N4 O16 -","4","1","","Shi, Min; Jiang, Jian-Kang; Cui, Shi-Cong; Feng, Yan-Shu","Titanium(IV) chloride, zirconium(IV) chloride or boron trichloride and phosphine-promoted Baylis‒Hillman reaction of aldehydes with α,β-unsaturated ketone","Journal of the Chemical Society, Perkin Transactions 1","2001","","4","390","","10.1039/b008105l","","","0.7107","MoKα","","","0.0331","","","","0.0515","","","","","","1.128","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7213446","13.449","0.009","13.597","0.003","16.399","0.009","90","","90","","90","","2999","3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Bis(trimethylsilyl)methyl-1,4-dihydro-1,3,5-triazine","","- C10 H23 N3 Si2 -","- C10 H23 N3 Si2 -","- C80 H184 N24 Si16 -","8","2","","Boesveld, W. Marco; Hitchcock, Peter B.; Lappert, Michael F.","Substituted triazines and pyrimidines from 1,3,5-triazine and a lithium amidinate, alkyl- or 1-azaallyl","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1103","","10.1039/b008681i","","","0.71073","MoKα","","0.0691","0.0474","","0.1144","0.1033","","","","1.031","1.051","1.051","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213447","7.5318","0.0002","13.3032","0.0005","25.6712","0.0005","90","","90","","90","","2572.18","0.13","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 Si -","- C30 H36 N2 Si -","- C120 H144 N8 Si4 -","4","1","","von Keyserlingk, Nikolai Graf; Martens, Jürgen; Ostendorf, Detlev; Saak, Wolfgang; Weidenbruch, Manfred","Utilization of industrial waste materials. Part 20. Stereoselective cycloaddition of silylenes and a disilene to an enantiomerically pure cyclic ketimine derived from an industrial waste material","Journal of the Chemical Society, Perkin Transactions 1","2001","","7","706","","10.1039/b008708o","","","0.71073","MoKα","","0.0455","0.0414","","","0.1121","0.1161","","","","","","1.056","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213471","5.6084","0.0007","13.3595","0.0017","19.118","0.003","90","","90","","90","","1432.4","0.3","213","2","213","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C68 H72 O8 -","4","1","","Bickley, Jamie F.; Hauer, Bernhardt; Pena, Paula C. A.; Roberts, Stanley M.; Skidmore, John","The semi-pinacol rearrangement of homochiral epoxyalcohols catalysed by rare earth triflates","Journal of the Chemical Society, Perkin Transactions 1","2001","","11","1253","","10.1039/b101838h","","","0.71073","MoKα","","0.0658","0.0333","","","0.0608","0.0661","","","","","","0.772","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213473","7.2501","0.0015","16.807","0.003","23.309","0.005","90","","90","","90","","2840.3","1","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 B Fe N O2 -","- C14 H20 B Fe N O2 -","- C112 H160 B8 Fe8 N8 O16 -","8","2","","Norrild, Jens Chr.; Søtofte, Inger","Crystal structures of 2-(N,N-dimethylaminoalkyl)ferroceneboronic acids and their diol derivatives. The quest for a B‒N intramolecular bond in the solid state","Journal of the Chemical Society, Perkin Transactions 2","2001","","5","727","","10.1039/b102377m","","","0.71073","MoKα","","0.1659","0.0664","","0.1143","0.0921","","","","0.93","1.059","1.059","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213480","7.976","0.003","9.399","0.004","24.084","0.011","90","","90","","90","","1805.5","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(20R)-13β,14β-oxido-20-hydroxy-17(13->18)abeo-4-pregnen-3-one","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo","Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1511","","10.1039/b102688g","","","0.71073","MoKα","","0.1194","0.0526","","","0.0902","0.114","","","","","","0.95","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213481","7.518","0.002","16.476","0.006","17.818","0.008","90","","90","","90","","2207.1","1.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(20R)-13β-methoxy-14α-hydroxy-20-acetyloxy-17(13->18)abeo-4-pregnen-3-one","","- C24 H36 O5 -","- C24 H36 O5 -","- C96 H144 O20 -","4","1","","Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo","Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1511","","10.1039/b102688g","","","0.71073","MoKα","","0.1824","0.0649","","","0.0793","0.1052","","","","","","0.932","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213482","7.887","0.003","12.51","0.002","20.083","0.006","90","","90","","90","","1981.5","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(20R)-20-iodo-4-pregnen-3-one","","- C21 H31 I O -","- C21 H31 I O -","- C84 H124 I4 O4 -","4","1","","Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo","Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1511","","10.1039/b102688g","","","0.71073","MoKα","","0.0409","0.0319","","","0.0783","0.0831","","","","","","1.043","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213483","6.6963","0.0019","11.819","0.003","24.686","0.007","90","","90","","90","","1953.7","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(20S)-20-iodo-4-pregnen-3-one","","- C21 H31 I O -","- C21 H31 I O -","- C84 H124 I4 O4 -","4","1","","Nicoletti, Daniel; Ghini, Alberto A.; Baggio, Ricardo F.; Garland, M. Teresa; Burton, Gerardo","Rearrangement of 18-iodo- and 20-iodopregnanes mediated by iodosyl derivatives","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1511","","10.1039/b102688g","","","0.71073","MoKα","","0.11","0.0561","","","0.1443","0.1748","","","","","","1.063","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213489","9.61","0.002","12.226","0.003","14.09","0.002","90","","90","","90","","1655.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 F6 N2 P -","- C12 H25 F6 N2 P -","- C48 H100 F24 N8 P4 -","4","1","","Alder, Roger W.; Blake, Michael E.; Bufali, Simone; Butts, Craig P.; Orpen, A. Guy; Schütz, Jan; Williams, Stuart J.","Preparation of tetraalkylformamidinium salts and related species as precursors to stable carbenes","Journal of the Chemical Society, Perkin Transactions 1","2001","","14","1586","","10.1039/b104110j","","","0.71073","MoKα","","0.0793","0.0593","","0.1777","","0.1725","","","1.026","","","1.354","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213496","13.347","0.002","13.738","0.002","14.152","0.002","90","","90","","90","","2594.9","0.7","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 B2 N4 P2 -","- C22 H42 B2 N4 P2 -","- C88 H168 B8 N16 P8 -","4","1","","Smyth, Donald; Tye, Heather; Eldred, Colin; Alcock, Nathaniel W.; Wills, Martin","Synthesis and applications to asymmetric catalysis of a series of mono- and bis(diazaphospholidine) ligands","Journal of the Chemical Society, Perkin Transactions 1","2001","","21","2840","","10.1039/b106399p","","","0.71073","MoKα","","0.0743","0.0493","","0.1044","0.0941","","","","1.037","1.064","1.064","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213497","8.3","0.004","13.789","0.005","14.553","0.005","90","","90","","90","","1665.6","1.2","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H26 B N2 O P -","- C15 H26 B N2 O P -","- C60 H104 B4 N8 O4 P4 -","4","1","","Smyth, Donald; Tye, Heather; Eldred, Colin; Alcock, Nathaniel W.; Wills, Martin","Synthesis and applications to asymmetric catalysis of a series of mono- and bis(diazaphospholidine) ligands","Journal of the Chemical Society, Perkin Transactions 1","2001","","21","2840","","10.1039/b106399p","","","0.71073","MoKα","","0.1065","0.0637","","0.1124","0.0973","","","","1.068","1.114","1.114","","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213498","9.023","0.003","11.0408","0.0016","16.112","0.003","90","","90","","90","","1605.1","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O7 -","- C17 H17 N O7 -","- C68 H68 N4 O28 -","4","1","","Frances Heaney; Julie Fenlon; Colm O'Mahony; Patrick McArdle; Desmond Cunningham","Nitrogen-containing heterocycles: 1,3-dipolar cycloaddition of stabilized nitrones with alkynes; primary cycloadducts, first and second generation rearrangement processes","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3382","3392","10.1039/b106832f","","","0.71069","MoKα","","0.0923","0.0501","","","0.1128","0.1251","","","","","","0.975","","","","has coordinates","180465","2020-10-21","18:00:00",""
"7213517","8.442","0.002","12.466","0.004","21.904","0.007","90","","90","","90","","2305.1","1.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(tetra-2',3',4',6'-O-acetyl-β-D-glucosyloxy)ethyl methacrylate","","- C20 H28 O12 -","- C20 H28 O12 -","- C80 H112 O48 -","4","1","","Moira Ambrosi; Andrei S. Batsanov; Neil R. Cameron; Benjamin G. Davis; Judith A. K. Howard; Rob Hunter","Influence of preparation procedure on polymer composition: synthesis and characterisation of polymethacrylates bearing β-D-glucopyranoside and β-D-galactopyranoside residues","Journal of the Chemical Society, Perkin Transactions 1","2002","","1","45","52","10.1039/b108421f","","","0.71073","MoKα","","0.0404","0.0365","","","0.0938","0.0971","","","","","","1.051","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213518","5.6341","0.0017","10.142","0.004","18.013","0.007","90","","90","","90","","1029.3","0.6","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-2-phenyl-1,3-dithiane-1-oxide","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Derek R. Boyd; Narain D. Sharma; Simon A. Haughey; John F. Malone; Alistair W. T. King; Brian T. McMurray; André Alves-Areias; Christopher C. R. Allen; Robert Holt; Howard Dalton","Dioxygenase-catalysed mono-, di- and tri-oxygenation of dialkyl sulfides and thioacetals: chemoenzymatic synthesis of enantiopure cis-diol sulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3288","3296","10.1039/b108620k","","","0.71073","MoKα","","0.0356","0.0301","","","0.0737","0.0776","","","","","","1.045","","","","has coordinates","288183","2023-12-08","14:43:01",""
"7213520","6.2383","0.0005","8.6358","0.0007","17.1061","0.0013","90","","90","","90","","921.55","0.13","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2S)-2-phenyl-1,3-dithiolane-1-oxide","","- C9 H10 O S2 -","- C9 H10 O S2 -","- C36 H40 O4 S8 -","4","1","","Derek R. Boyd; Narain D. Sharma; Simon A. Haughey; John F. Malone; Alistair W. T. King; Brian T. McMurray; André Alves-Areias; Christopher C. R. Allen; Robert Holt; Howard Dalton","Dioxygenase-catalysed mono-, di- and tri-oxygenation of dialkyl sulfides and thioacetals: chemoenzymatic synthesis of enantiopure cis-diol sulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3288","3296","10.1039/b108620k","","","0.71073","MoKα","","0.0324","0.0305","","","0.0695","0.0702","","","","","","1.109","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213521","5.326","0.001","8.844","0.001","18.602","0.003","90","","90","","90","","876.2","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis-(1S,2R)-3-(R-methylsulfinylmethyl)cyclohexa-3,5-diene-1,2-diol","","- C8 H12 O3 S -","- C8 H12 O3 S -","- C32 H48 O12 S4 -","4","1","","Derek R. Boyd; Narain D. Sharma; Simon A. Haughey; John F. Malone; Alistair W. T. King; Brian T. McMurray; André Alves-Areias; Christopher C. R. Allen; Robert Holt; Howard Dalton","Dioxygenase-catalysed mono-, di- and tri-oxygenation of dialkyl sulfides and thioacetals: chemoenzymatic synthesis of enantiopure cis-diol sulfoxides","Journal of the Chemical Society, Perkin Transactions 1","2001","","24","3288","3296","10.1039/b108620k","","","0.71073","MoKα","","0.043","0.0357","","","0.0882","0.0933","","","","","","1.114","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213535","7.939","0.002","14.627","0.003","29.719","0.006","90","","90","","90","","3451.1","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-difluoro-5-hydroxy-4a,6a,8, 8-tetramethyl-6b-({[(3S)-2-oxotetrahydro-3-furanyl]sulfanyl}acetyl)-4a,4b,5,6, 6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3] dioxol-2-one","","- C28 H34 F2 O7 S -","- C36 H34 F2 O7 S -","- C144 H136 F8 O28 S4 -","4","1","","Angell, Richard M.; Biggadike, Keith; Farrell, Rosanne M.; Flack, Stephen S.; Hancock, Ashley P.; Irving, Wendy R.; Lynn, Sean M.; Procopiou, Panayiotis A.","Novel glucocorticoid antedrugs possessing a 21-(γ-lactone) ring","Journal of the Chemical Society, Perkin Transactions 1","2002","","6","831","","10.1039/b200190j","","","1.54178","CuKα","","0.108","0.0684","","0.1917","0.162","","","","1.04","1.116","1.116","","","","","has coordinates","180466","2020-10-21","18:00:00",""
"7213579","14.574","0.003","17.358","0.003","20.413","0.004","90","","90","","90","","5164","1.7","90","2","90","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H47 Co Mo5 N6 O28 P2 -","- C38 H44 Co Mo5 N6 O28 P2 -","- C152 H176 Co4 Mo20 N24 O112 P8 -","4","1","","Smith, Tiffany M.; Perkins, Kathryn; Symester, Diona; Freund, Steve R.; Vargas, Jose; Spinu, Leonard; Zubieta, Jon","Solid state coordination chemistry of oxomolybdenum‒organodiphosphonate materials: consequences of introducing xylyldiphosphonate components","CrystEngComm","2014","16","2","191","","10.1039/c3ce41728j","","","0.71073","MoKα","","0.0478","0.0377","","","0.0735","0.0766","","","","","","0.973","","","","has coordinates,has disorder","180466","2020-10-21","18:00:00",""
"7213641","7.2339","0.0004","22.332","0.0014","23.4396","0.0013","90","","90","","90","","3786.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Ba Cd N O14 -","- C32 H30 Ba Cd N O14 -","- C128 H120 Ba4 Cd4 N4 O56 -","4","1","","Zhang, Huabin; Lin, Ping; Shan, Xiaochen; Han, Liwei; Du, Shaowu","Absolute helicity induction: chiral information transfer from metal centre to the framework","CrystEngComm","2014","16","7","1245","","10.1039/c3ce42157k","","","0.71073","MoKα","","0.0381","0.0367","","","0.112","0.1142","","","","","","1.108","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7213642","7.2243","0.0006","22.315","0.002","23.376","0.002","90","","90","","90","","3768.5","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Ba Cd N O14 -","- C32 H30 Ba Cd N O14 -","- C128 H120 Ba4 Cd4 N4 O56 -","4","1","","Zhang, Huabin; Lin, Ping; Shan, Xiaochen; Han, Liwei; Du, Shaowu","Absolute helicity induction: chiral information transfer from metal centre to the framework","CrystEngComm","2014","16","7","1245","","10.1039/c3ce42157k","","","0.71073","MoKα","","0.0693","0.0585","","","0.1708","0.1822","","","","","","0.927","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213662","6.7017","0.0001","14.3958","0.0003","14.9405","0.0003","90","","90","","90","","1441.4","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Ca N O5 -","- C15 H13 Ca N O5 -","- C60 H52 Ca4 N4 O20 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0349","0.0302","","","0.0687","0.0714","","","","","","1.024","","","","has coordinates,has disorder","180467","2020-10-21","18:00:00",""
"7213663","6.8883","0.0001","14.7074","0.0002","14.981","0.0002","90","","90","","90","","1517.71","0.04","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O5 Sr -","- C15 H13 N O5 Sr -","- C60 H52 N4 O20 Sr4 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.028","0.0257","","","0.0757","0.0772","","","","","","1.05","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213664","7.1269","0.0003","14.6724","0.0006","15.0027","0.0005","90","","90","","90","","1568.81","0.11","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Ba N O5 -","- C15 H13 Ba N O5 -","- C60 H52 Ba4 N4 O20 -","4","1","","Raja, Duraisamy Senthil; Luo, Jheng-Hong; Yeh, Chun-Ting; Jiang, Yue-Chun; Hsu, Kuei-Fang; Lin, Chia-Her","Novel alkali and alkaline earth metal coordination polymers based on 1,4-naphthalenedicarboxylic acid: synthesis, structural characterization and properties","CrystEngComm","2014","16","10","1985","","10.1039/c3ce42208a","","","0.71073","MoKα","","0.0316","0.0273","","","0.0498","0.0512","","","","","","1.012","","","","has coordinates","180467","2020-10-21","18:00:00",""
"7213705","5.434","0.004","9.157","0.007","24.3","0.019","90","","90","","90","","1209.1","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F5 N O -","- C13 H6 F5 N O -","- C52 H24 F20 N4 O4 -","4","1","","Wang, Ji-Liang; Xu, Jia-Su; Wang, Dong-Yun; Wang, Hui; Li, Zhan-Ting; Zhang, Dan-Wei","Anti-parallel sheet structures of side-chain-free γ-, δ-, and ε-dipeptides stabilized by benzene‒pentafluorobenzene stacking","CrystEngComm","2014","16","10","2078","","10.1039/c3ce42060d","","","0.71073","MoKα","","0.0454","0.0377","","","0.1027","0.1093","","","","","","1.026","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213737","7.317","0.0001","13.0149","0.0002","16.1806","0.0002","90","","90","","90","","1540.88","0.04","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(4-methyl-benzylidene)-hydrazine","","- C16 H15 N3 O2 S -","- C16 H15 N3 O2 S -","- C64 H60 N12 O8 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.029","0.0275","","","0.0756","0.0772","","","","","","1.065","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213741","6.6454","0.0001","10.9886","0.0002","21.2138","0.0004","90","","90","","90","","1549.11","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methoxy-benzylidene)-hydrazine","<i>N</i>-(1,1-Dioxo-2,3-dihydro-1<i>H</i>-1λ^6^-benzo[<i>e</i>][1,2] thiazin-4-ylidene)-<i>N</i>'-(2-methoxy-benzylidene)-hydrazine","","- C16 H15 N3 O3 S -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","1","","Aman, Farhana; Asiri, Abdullah M.; Siddiqui, Waseeq A.; Arshad, Muhammad Nadeem; Ashraf, Adnan; Zakharov, Nikita S.; Blatov, Vladislav A.","Multilevel topological description of molecular packings in 1,2-benzothiazines","CrystEngComm","2014","16","10","1963","","10.1039/c3ce42218f","","","1.54184","CuKα","","0.0308","0.0297","","","0.0806","0.0818","","","","","","0.922","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7213756","8.1025","0.0003","8.7996","0.0003","14.951","0.0006","90","","90","","90","","1065.99","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 Cl3 F3 -","- C9 H6 Cl3 F3 -","- C36 H24 Cl12 F12 -","4","1","","Vilela, Sérgio M. F.; Fernandes, José A.; Ananias, Duarte; Carlos, Luís D.; Rocha, João; Tomé, João P. C.; Almeida Paz, Filipe A.","Photoluminescent layered lanthanide‒organic framework based on a novel trifluorotriphosphonate organic linker","CrystEngComm","2014","16","3","344","","10.1039/c3ce41482e","","","0.71073","MoKα","","0.0399","0.0314","","","0.0671","0.0717","","","","","","1.042","","","","has coordinates","180468","2020-10-21","18:00:00",""
"7213899","4.9506","0.0003","14.5932","0.0014","17.6779","0.0013","90","","90","","90","","1277.14","0.17","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 F N2 O -","- C16 H11 F N2 O -","- C64 H44 F4 N8 O4 -","4","1","","Khavasi, Hamid Reza; Ghanbarpour, Alireza; Tehrani, Alireza Azhdari","Synthon crossover between halogen⋯π and halogen⋯halogen interaction","CrystEngComm","2014","16","5","749","","10.1039/c3ce41853g","","","0.71073","MoKα","","0.1199","0.0731","","","0.1387","0.1559","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214019","4.9227","0.0002","13.9837","0.0003","15.7876","0.0003","90","","90","","90","","1086.78","0.05","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 Li2 O10 -","- C8 H10 Li2 O10 -","- C32 H40 Li8 O40 -","4","1","","Thuéry, Pierre","Metal‒organic frameworks built from alkali metal ions (Li±-Cs+) and 1,2,3,4-cyclobutanetetracarboxylic acid","CrystEngComm","2014","16","9","1724","","10.1039/c3ce41565a","","","0.71073","MoKα","","0.0329","0.0308","","","0.0881","0.0895","","","","","","1.075","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214027","5.2","0.00007","10.2243","0.00015","13.06242","0.00017","90","","90","","90","","694.481","0.017","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2-amino-1,3,4-thiadiazolium(1+) hydrogen sulphate","","","- C2 H5 N3 O4 S2 -","- C2 H5 N3 O4 S2 -","- C8 H20 N12 O16 S8 -","4","1","","Matulková, I.; Cihelka, J.; Pojarová, M.; Fejfarová, K.; Dušek, M.; Císařová, I.; Vaněk, P.; Kroupa, J.; Němec, P.; Tesařová, N.; Němec, I.","Molecular crystals of 2-amino-1,3,4-thiadiazole with inorganic oxyacids ‒ crystal engineering, phase transformations and NLO properties","CrystEngComm","2014","16","9","1763","","10.1039/c3ce42306a","","","1.54178","CuKα","","0.0202","0.0202","","","0.0503","0.0503","","","","","","0.879","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214065","4.3006","0.0012","12.286","0.004","21.406","0.006","90","","90","","90","","1131","0.6","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 F3 N O2 S -","- C10 H10 F3 N O2 S -","- C40 H40 F12 N4 O8 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0422","0.0371","","","0.0862","0.0892","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7214069","4.8958","0.0002","13.2251","0.0006","15.7846","0.0008","90","","90","","90","","1022.01","0.08","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C48 H36 N12 S4 -","4","1","","Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M.","Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines","CrystEngComm","2014","16","9","1755","","10.1039/c3ce42205d","","","0.71073","MoKα","","0.0547","0.0451","","","0.1031","0.1102","","","","","","1.095","","","","has coordinates","180471","2020-10-21","18:00:00",""
"7214126","10.2819","0.0009","10.7707","0.0009","15.6284","0.0014","90","","90","","90","","1730.7","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 -","- C23 H20 N2 -","- C92 H80 N8 -","4","1","","Solan, Agnes; Nişanci, Bilal; Belcher, Miranda; Young, Jonathon; Schäfer, Christian; Wheeler, Kraig A.; Török, Béla; Dembinski, Roman","Catalyst-free chemo-/regio-/stereo-selective amination of alk-3-ynones. Synthesis of 1,5-benzodiazepines and 3-amino-2-alkenones","Green Chemistry","2014","16","3","1120","","10.1039/c3gc41898g","","","1.54178","CuKα","","0.0568","0.0521","","","0.1401","0.1445","","","","","","1.032","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214130","12.0601","0.0008","12.5854","0.0003","12.9527","0.0004","90","","90","","90","","1965.98","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Br N2 S -","- C19 H25 Br N2 S -","- C76 H100 Br4 N8 S4 -","4","1","","Foreiter, Magdalena B.; Gunaratne, H. Q. Nimal; Nockemann, Peter; Seddon, Kenneth R.; Srinivasan, Geetha","Novel chiral ionic liquids: physicochemical properties and investigation of the internal rotameric behaviour in the neat system.","Physical chemistry chemical physics : PCCP","2014","16","3","1208","1226","10.1039/c3cp53472c","","","0.71073","MoKα","","0.0306","0.0228","","","0.0407","0.0428","","","","","","1.022","","","","has coordinates","180472","2020-10-21","18:00:00",""
"7214354","15.7322","0.0004","24.0717","0.0007","41.3778","0.0012","90","","90","","90","","15669.8","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C148.7 H226.7 N8.7 O42.1 -","- C149.17 H225.31 N8.68 O42.27 -","- C596.68 H901.24 N34.72 O169.08 -","4","1","","Wierzbicki, Michał; Gilski, Mirosław; Rissanen, Kari; Jaskólski, Mariusz; Szumna, Agnieszka","Experiences with applications of macromolecular tools in supramolecular crystallography","CrystEngComm","2014","16","18","3773","","10.1039/c3ce42288g","","","1.54178","CuKα","","0.1037","0.0995","","","0.2487","0.2519","","","","","","1.161","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214355","15.7322","0.0004","24.0717","0.0007","41.3778","0.0012","90","","90","","90","","15669.8","0.8","148","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C133.5 H197 N8 O37.5 -","- C133.5 H197 N8 O37.5 -","- C534 H788 N32 O150 -","4","1","","Wierzbicki, Michał; Gilski, Mirosław; Rissanen, Kari; Jaskólski, Mariusz; Szumna, Agnieszka","Experiences with applications of macromolecular tools in supramolecular crystallography","CrystEngComm","2014","16","18","3773","","10.1039/c3ce42288g","","","1.54178","CuKα","","0.0815","0.0757","","","0.1964","0.201","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214431","10.4014","0.0017","11.1506","0.0018","15.433","0.003","90","","90","","90","","1789.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.1443","0.0547","","","0.0585","0.0721","","","","","","1.041","","","","has coordinates","180475","2020-10-21","18:00:00",""
"7214438","10.4267","0.0016","15.449","0.002","11.1546","0.0018","90","","90","","90","","1796.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R,S)-1,2-bis((tert-butylsulfinyl)methyl)benzene","","- C16 H26 O2 S2 -","- C16 H26 O2 S2 -","- C64 H104 O8 S8 -","4","1","","Xu, Zhiguang; Liu, Haiyang; Mahmood, Mian HR; Cai, Yuepeng; Xu, Xuan; Tang, Youwen","Spontaneous resolution of chiral bis-sulfoxides with asymmetric atropisomerism","CrystEngComm","2014","16","19","3839","","10.1039/c4ce00296b","","","0.71073","MoKα","","0.2124","0.0945","","","0.0813","0.1018","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214580","8.5377","0.0011","13.1086","0.0017","14.4617","0.0018","90","","90","","90","","1618.5","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 N2 Ni O2 S2 Se -","- C10 H16 Cl2 N2 Ni O2 S2 Se -","- C40 H64 Cl8 N8 Ni4 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0372","0.029","","","0.0496","0.0524","","","","","","0.901","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214581","8.5078","0.0008","13.3811","0.0012","14.3894","0.0013","90","","90","","90","","1638.1","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 Co N2 O2 S2 Se -","- C10 H16 Cl2 Co N2 O2 S2 Se -","- C40 H64 Cl8 Co4 N8 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0264","0.0206","","","0.0369","0.038","","","","","","0.985","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214582","8.481","0.0006","13.4884","0.0009","14.3386","0.0011","90","","90","","90","","1640.3","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 Fe N2 O2 S2 Se -","- C10 H16 Cl2 Fe N2 O2 S2 Se -","- C40 H64 Cl8 Fe4 N8 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0431","0.0366","","","0.0732","0.0761","","","","","","1.033","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214604","14.9927","0.0004","24.6112","0.0005","30.667","0.0006","90","","90","","90","","11315.8","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[[{Mn(C6N4H18)(C6N4H20)}{Mn(C6N4H18)}4V15Ge6O48(0.5H2O)]*(C6N4H18)*2H2O","","","- C36 H115 Ge6 Mn5 N24 O50.5 V15 -","- C36 H110 Ge6 Mn5 N24 O50.5 V15 -","- C144 H440 Ge24 Mn20 N96 O202 V60 -","4","1","","Wang, Jing; Näther, Christian; Speldrich, Manfred; Kögerler, Paul; Bensch, Wolfgang","Chain and layer networks of germanato-polyoxovanadates","CrystEngComm","2013","15","47","10238","","10.1039/c3ce41512k","","","0.71073","MoKα","","0.0794","0.0667","","","0.1427","0.1493","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214616","22.945","0.005","31.803","0.006","32.955","0.007","90","","90","","90","","24048","9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C200 H188 N4 O42 Zn8 -","- C200 H188 N4 O42 Zn8 -","- C800 H752 N16 O168 Zn32 -","4","1","","Li, Qiaowei; Shin, Sung Min; Moon, Dohyun; Jeong, Kyung Seok; Jeong, Nakcheol","Chiral porous metal‒organic frameworks from chiral building units with different metrics","CrystEngComm","2013","15","47","10161","","10.1039/c3ce41586d","","","0.9","synchrotron","","0.1115","0.0788","","","0.1906","0.2107","","","","","","0.993","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214637","5.96084","0.00015","12.8706","0.0002","22.8019","0.0004","90","","90","","90","","1749.35","0.06","213.1","","213.1","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 I N O2 -","- C19 H18 I N O2 -","- C76 H72 I4 N4 O8 -","4","1","","Sasaki, Toshiyuki; Hisaki, Ichiro; Tsuzuki, Seiji; Tohnai, Norimitsu; Miyata, Mikiji","Halogen bond effect on bundling of hydrogen bonded 2-fold helical columns","CrystEngComm","2012","14","18","5749","","10.1039/c2ce26081f","","","1.54187","CuKα","","","0.0625","","","","0.1574","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214639","7.3729","0.0004","11.2139","0.0004","20.1034","0.0008","90","","90","","90","","1662.13","0.13","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cu N3 O3 -","- C17 H21 Cu N3 O3 -","- C68 H84 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0611","0.0449","","","0.0824","0.0892","","","","","","0.974","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214640","7.3456","0.0005","11.2047","0.0008","20.0815","0.0015","90","","90","","90","","1652.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cu N3 O3 -","- C17 H21 Cu N3 O3 -","- C68 H84 Cu4 N12 O12 -","4","1","","Biswas, Apurba; Estarellas, Carolina; Frontera, Antonio; Ballester, Pablo; Drew, Michael G. B.; Gamez, Patrick; Ghosh, Ashutosh","Effect of a methyl group on the spontaneous resolution of a square-pyramidal coordination compound: crystal packing and conglomerate formation","CrystEngComm","2012","14","18","5854","","10.1039/c2ce25497b","","","0.71073","MoKα","","0.0297","0.0281","","","0.0718","0.0727","","","","","","1.091","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214677","6.4001","0.0003","17.2148","0.0009","18.6406","0.0009","90","","90","","90","","2053.75","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cd3 O20 -","- C12 H16 Cd3 O20 -","- C48 H64 Cd12 O80 -","4","1","","Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis","Synthesis and crystal structure of three new cadmium tartrates with open frameworks","CrystEngComm","2012","14","24","8606","","10.1039/c2ce26312b","","","0.71073","MoKα","","0.0177","0.0174","","","0.04","0.0402","","","","","","1.058","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214713","14.8815","0.0004","33.7011","0.001","9.4872","0.0002","90","","90","","90","","4758","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-cyclodextrin hexahydrate","cyclohexaamylose hexahydrate, cyclomaltohexaose hexahydrate","","- C36 H72 O36 -","- C36 H72 O36 -","- C144 H288 O144 -","4","1","","Granero-García, Rubén; Lahoz, Fernando J.; Paulmann, Carsten; Saouane, Sofiane; Fabbiani, Francesca P. A.","A novel hydrate of α-cyclodextrin crystallised under high-pressure conditions","CrystEngComm","2012","14","24","8664","","10.1039/c2ce26362a","","","0.71073","MoKα","","0.0749","0.0498","","","0.1101","0.1245","","","","","","1.023","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214714","14.657","0.005","34.253","0.014","9.217","0.004","90","","90","","90","","4627","3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","α-cyclodextrin 6.8-hydrate","cyclohexaamylose 6.8-hydrate, cyclomaltohexaose 6.8-hydrate","","- C36 H73.6 O36.8 -","- C36 H70 O36.8 -","- C144 H280 O147.2 -","4","1","","Granero-García, Rubén; Lahoz, Fernando J.; Paulmann, Carsten; Saouane, Sofiane; Fabbiani, Francesca P. A.","A novel hydrate of α-cyclodextrin crystallised under high-pressure conditions","CrystEngComm","2012","14","24","8664","","10.1039/c2ce26362a","","","0.5","synchrotron","","0.0976","0.0688","","","0.1606","0.1799","","","","","","1.056","","","","has coordinates,has disorder","180478","2020-10-21","18:00:00",""
"7214794","10.2419","0.0007","13.1084","0.0011","16.9868","0.0012","90","","90","","90","","2280.6","0.3","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1,1,1-trifluoroacetylacetonatochlorobis(morpholine)copper(II) - morpholine solvate","","- C17 H31 Cl Cu F3 N3 O5 -","- C17 H31 Cl Cu F3 N3 O5 -","- C68 H124 Cl4 Cu4 F12 N12 O20 -","4","1","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.085","0.0461","","","0.0959","0.1023","","","","","","0.839","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214799","7.1192","0.0014","15.328","0.003","15.729","0.003","90","","90","","90","","1716.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O8 -","- C15 H22 N2 O8 -","- C60 H88 N8 O32 -","4","1","","Su, Qing; He, Mina; Wu, Qiaolin; Gao, Wei; Xu, Hai; Ye, Ling; Mu, Ying","The supramolecular assemblies of 7-amino-2,4-dimethylquinolinium salts and the effect of a variety of anions on their luminescent properties","CrystEngComm","2012","14","21","7275","","10.1039/c2ce25883h","","","0.71073","MoKα","","0.055","0.0483","","","0.1351","0.1391","","","","","","1.045","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7214844","3.7777","0.0001","12.5991","0.0005","25.0825","0.001","90","","90","","90","","1193.82","0.07","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-aminopyridinium 5-nitrosalicylate","4-aminopyridinium 5-nitrosalicylate","","- C12 H11 N3 O5 -","- C12 H11 N3 O5 -","- C48 H44 N12 O20 -","4","1","","Montis, Riccardo; Hursthouse, Michael B.","Crystalline adducts of some substituted salicylic acids with 4-aminopyridine, including hydrates and solvates: contact and separated ionic complexes with diverse supramolecular synthons","CrystEngComm","2012","14","21","7466","","10.1039/c2ce26008e","","","0.71073","MoKα","","0.0683","0.0525","","","0.1131","0.1218","","","","","","1.109","","","","has coordinates","180479","2020-10-21","18:00:00",""
"7214900","6.566","0.002","10.457","0.003","17.386","0.005","90","","90","","90","","1193.7","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 B Cu F4 N7 O -","- C6 H10 B Cu F4 N7 O -","- C24 H40 B4 Cu4 F16 N28 O4 -","4","1","","Boland, Yves; Tinant, Bernard; Safin, Damir A.; Marchand-Brynaert, Jacqueline; Clérac, Rodolphe; Garcia, Yann","A metal‒organic framework made of an asymmetric 1,2,4-triazole and tetrazole ligand","CrystEngComm","2012","14","23","8153","","10.1039/c2ce26257f","","","0.71069","MoKα","","0.0438","0.0396","","","0.0986","0.1013","","","","","","1.058","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214901","7.7051","0.0011","8.2473","0.0012","18.664","0.003","90","","90","","90","","1186","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Dy N2 O8 -","- C8 H11 Dy N2 O8 -","- C32 H44 Dy4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0208","0.0198","","","0.044","0.0445","","","","","","0.979","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214902","7.6961","0.0015","8.2458","0.0017","18.737","0.004","90","","90","","90","","1189.1","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N2 O8 Tb -","- C8 H11 N2 O8 Tb -","- C32 H44 N8 O32 Tb4 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0299","0.0278","","","0.0604","0.0612","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214903","7.7735","0.0018","8.2482","0.0019","18.816","0.004","90","","90","","90","","1206.4","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Eu N2 O8 -","- C8 H11 Eu N2 O8 -","- C32 H44 Eu4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0286","0.0281","","","0.0672","0.0674","","","","","","1.127","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214904","7.7305","0.001","8.2593","0.0011","18.791","0.003","90","","90","","90","","1199.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Gd N2 O8 -","- C8 H11 Gd N2 O8 -","- C32 H44 Gd4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0164","0.0161","","","0.0411","0.0412","","","","","","1.216","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214905","7.7028","0.001","8.2418","0.001","18.692","0.002","90","","90","","90","","1186.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Dy N2 O8 -","- C8 H11 Dy N2 O8 -","- C32 H44 Dy4 N8 O32 -","4","1","","Zhang, Li-Min; Deng, Da-Yi; Peng, Guo; Sun, Lin; Liang, Li; Lan, Guo-Qiang; Deng, Hong","A series of three-dimensional (3D) chiral lanthanide coordination polymers generated by spontaneous resolution","CrystEngComm","2012","14","23","8083","","10.1039/c2ce26028j","","","0.71073","MoKα","","0.0384","0.0376","","","0.095","0.0955","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214949","6.594","0.002","12.467","0.004","14.022","0.004","90","","90","","90","","1152.7","0.6","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H10 Dy2 K2 N2 O20 -","- C18 H10 Dy2 K2 N2 O20 -","- C36 H20 Dy4 K4 N4 O40 -","2","0.5","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","0.71073","MoKα","","0.0365","0.0342","","","0.0952","0.0956","","","","","","1.095","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214950","6.571","0.0013","12.445","0.003","14.012","0.003","90","","90","","90","","1145.8","0.4","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 Er K N O10 -","- C9 H5 Er K N O10 -","- C36 H20 Er4 K4 N4 O40 -","4","1","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7214951","14.12","0.003","12.545","0.003","6.6886","0.0013","90","","90","","90","","1184.8","0.4","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 K N Nd O10 -","- C9 H5 K N Nd O10 -","- C36 H20 K4 N4 Nd4 O40 -","4","1","","Gao, Hong-Ling; Yi, Yong-Ling; Hu, Yao-Min; Qu, Jing; Hu, Cong-Cong; Wufu, Riziwanguli; Cui, Jian-Zhong; Zhai, Bin","Syntheses, structures, and properties of 3D lanthanide coordination polymers based on pyridine-2,3,5,6-tetracarboxylate","CrystEngComm","2012","14","23","7965","","10.1039/c2ce26129d","","","0.71073","MoKα","","0.0279","0.0269","","","0.0703","0.0706","","","","","","1.111","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7214992","5.399","0.0001","15.755","0.0004","20.698","0.0005","90","","90","","90","","1760.6","0.07","298","2","298","2","","","","","","","Crystal Screening","5","P 21 21 21","P 2ac 2ab","19","lamivudine hydrogen phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrogen phthalate","","- C16 H17 N3 O7 S -","- C16 H17 N3 O7 S -","- C64 H68 N12 O28 S4 -","4","1","","Capeletti da Silva, Cameron; Coelho, Renan Rezende; de Lima Cirqueira, Marilia; Campos de Melo, Ariane Carla; Landre Rosa, Iara Maria; Ellena, Javier; Martins, Felipe Terra","Salts of the anti-HIV drug lamivudine with phthalic and salicylic acids","CrystEngComm","2012","14","14","4562","","10.1039/c2ce25386k","","","0.71073","MoKα","","0.0566","0.0387","","","0.0958","0.1042","","","","","","1.022","","","","has coordinates","180480","2020-10-21","18:00:00",""
"7215024","5.5135","0.0002","8.1356","0.0003","47.2858","0.0014","90","","90","","90","","2121.03","0.13","174","2","174","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O2 S2 -","- C25 H26 O2 S2 -","- C100 H104 O8 S8 -","4","1","","Park, In-Hyeok; Kim, Hyun Jee; Lee, Shim Sung","Anion-dependent coordinative networking of macrocycle with copper(i) halides","CrystEngComm","2012","14","14","4589","","10.1039/c2ce25111f","","","0.71073","MoKα","","0.049","0.0477","","","0.1149","0.1157","","","","","","1.155","","","","has coordinates,has disorder","180481","2020-10-21","18:00:00",""
"7215053","7.6518","0.0012","9.7084","0.0015","19.982","0.003","90","","90","","90","","1484.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Ca Cl2 N2 O4 -","- C10 H18 Ca Cl2 N2 O4 -","- C40 H72 Ca4 Cl8 N8 O16 -","4","1","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.0434","0.0358","","","0.0747","0.0783","","","","","","1.04","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7215054","6.9732","0.0006","11.7268","0.0011","12.1168","0.0011","90","","90","","90","","990.83","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Ca Cl2 N O3 -","- C5 H11 Ca Cl2 N O3 -","- C20 H44 Ca4 Cl8 N4 O12 -","4","1","","Lamberts, Kevin; Porsche, Sven; Hentschel, Bernd; Kuhlen, Torsten; Englert, Ulli","An unusual linker and an unexpected node: CaCl2 dumbbells linked by proline to form square lattice networks","CrystEngComm","2014","16","16","3305","","10.1039/c3ce42357c","","","0.71073","MoKα","","0.0238","0.0227","","","0.0542","0.0557","","","","","","1.044","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215104","4.9118","0.0007","12.8431","0.0018","27.493","0.004","90","","90","","90","","1734.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O6 -","- C18 H18 N2 O6 -","- C72 H72 N8 O24 -","4","1","","Maity, Suman Kumar; Kumar, Ravi; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish","Self-assembly and nonlinear optical properties of a synthetic dipeptide","Journal of Materials Chemistry","2012","22","41","22198","","10.1039/c2jm34338j","","","0.71073","MoKα","","0.0583","0.0393","","","0.0985","0.1144","","","","","","0.98","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215220","5.0871","0.0013","7.5857","0.0019","26.719","0.007","90","","90","","90","","1031.1","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A.","Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family","CrystEngComm","2014","16","29","6716","","10.1039/c4ce00519h","","","0.71073","MoKα","","0.0563","0.0477","","","0.1128","0.1176","","","","","","1.051","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215266","13.2927","0.0015","14.5956","0.0016","17.1232","0.0017","90","","90","","90","","3322.2","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H35 Co N6 O3 -","- C37 H35 Co N6 O3 -","- C148 H140 Co4 N24 O12 -","4","1","","Béziau, Antoine; Baudron, Stéphane A.; Rasoloarison, Dimby; Hosseini, Mir Wais","Rigid yet flexible heteroleptic Co(iii) dipyrrin complexes for the construction of heterometallic 1- and 2-D coordination polymers","CrystEngComm","2014","16","23","4973","","10.1039/c4ce00273c","","","0.71073","MoKα","","0.0735","0.0416","","","0.0991","0.1147","","","","","","1.039","","","","has coordinates","180483","2020-10-21","18:00:00",""
"7215312","7.0495","0.0014","10.49","0.002","10.813","0.002","90","","90","","90","","799.6","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 N O6 P2 -","- C5 H7 N O6 P2 -","- C20 H28 N4 O24 P8 -","4","1","","Zon, Jerzy; Videnova-Adrabinska, Veneta; Janczak, Jan; Wilk, Magdalena; Samoc, Anna; Gancarz, Roman; Samoc, Marek","Design, synthesis and noncentrosymmetric solid state organization of three novel pyridylphosphonic acids","CrystEngComm","2011","13","10","3474","","10.1039/c1ce05140g","","","0.71073","MoKα","","0.0278","0.022","","","0.0548","0.0548","","","","","","1.002","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215378","10.4659","0.0002","14.632","0.0004","16.5116","0.0004","90","","90","","90","","2528.54","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N4 O4 Zn -","- C28 H26 N4 O4 Zn -","- C112 H104 N16 O16 Zn4 -","4","1","","Liu, Ying-Ying; Jiang, Ying-Yin; Yang, Jin; Liu, Yun-Yu; Ma, Jian-Fang","Syntheses, structures and photoluminescence of zinc(ii) and silver(I) coordination polymers based on 1,1′-(1,4-butanediyl)bis(2-methylbenzimidazole) and different carboxylate ligands","CrystEngComm","2011","13","20","6118","","10.1039/c0ce00990c","","","0.71073","MoKα","","0.0895","0.0643","","","0.1738","0.1844","","","","","","1.01","","","","has coordinates","180484","2020-10-21","18:00:00",""
"7215410","16.075","0.003","25.415","0.004","35.366","0.005","90","","90","","90","","14449","4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N2 Ni O6 S10 -","- C26 H31 N2 Ni O6 S10 -","- C416 H496 N32 Ni16 O96 S160 -","16","4","","Ye, Qiong; Akutagawa, Tomoyuki; Ye, Heng-Yun; Hang, Tian; Ge, Jia-Zhen; Xiong, Ren-Gen; Noro, Shin-ichiro; Nakamura, Takayoshi","Structural phase transition due to the flexible supramolecule of (4-cyanomethylanilinium)([18]crown-6) in [Ni(dmit)2]− crystal","CrystEngComm","2011","13","20","6185","","10.1039/c1ce05581j","","","0.71075","MoKα","","0.1118","0.058","","","0.1154","0.1393","","","","","","0.924","","","","has coordinates","180485","2020-10-21","18:00:00",""
"7215719","6.8518","0.0004","11.3764","0.0006","17.4137","0.0008","90","","90","","90","","1357.38","0.12","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0328","0.0288","","","0.0732","0.0743","","","","","","1.083","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215720","7.0652","0.0004","11.3687","0.0006","17.5723","0.0008","90","","90","","90","","1411.44","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","2-methoxy-6-(naphthalene-2-yliminomethyl)-phenol","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Zbačnik, M.; Kaitner, B.","Ex situ and in situ monitoring of the syntheses of thermochromic Schiff bases","CrystEngComm","2014","16","20","4162","","10.1039/c3ce42583e","","x-ray","0.71073","MoKα","","0.0592","0.0315","","","0.067","0.0717","","","","","","0.854","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7215751","5.2611","0.0002","9.6714","0.0004","19.3615","0.0008","90","","90","","90","","985.16","0.07","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C40 H36 N12 O12 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0316","0.0295","","","0.0745","0.0767","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215753","5.7364","0.0002","11.9294","0.0005","18.466","0.0009","90","","90","","90","","1263.66","0.09","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Sureshbabu, Beemineni","Substituent effect on the formation of helical to layered hydrogen bond network in hydroxyl and carboxyl substituted 1-aryl-1H-1,2,3-triazoles.","CrystEngComm","2014","","","","","10.1039/c4ce00738g","","","0.71073","MoKα","","0.0765","0.0476","","","0.0852","0.0973","","","","","","1.043","","","","has coordinates","180488","2020-10-21","18:00:00",""
"7215788","8.5085","0.0004","16.0156","0.0008","27.9393","0.0014","90","","90","","90","","3807.3","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N5 O14 Tb2 -","- C27 H23 N5 O14 Tb2 -","- C108 H92 N20 O56 Tb8 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.0513","0.0418","","","0.1008","0.105","","","","","","1.06","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215792","10.8285","0.0004","11.1933","0.0004","14.799","0.0006","90","","90","","90","","1793.74","0.12","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N3 O6 Zn -","- C15 H21 N3 O6 Zn -","- C60 H84 N12 O24 Zn4 -","4","1","","Nandi, Goutam; Thakuria, Ranjit; Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Synthesis, structure, topology and magnetic properties of new coordination polymers based on 5(‒Br/‒COOH)-substituted nicotinic acid","CrystEngComm","2014","16","24","5244","","10.1039/c4ce00300d","","","0.71073","MoKα","","0.032","0.0283","","","0.0639","0.0651","","","","","","1.042","","","","has coordinates,has disorder","180488","2020-10-21","18:00:00",""
"7215806","8.9861","0.0004","9.0343","0.0004","40.1047","0.0017","90","","90","","90","","3255.8","0.2","120","0.2","120.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H40 B N O2 -","- C41 H40 B N O2 -","- C164 H160 B4 N4 O8 -","4","1","","Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P.","Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation","CrystEngComm","2014","16","24","5364","","10.1039/c4ce00266k","","","0.71073","MoKα","","0.1312","0.0732","","","0.113","0.1282","","","","","","0.962","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215844","10.1854","0.0012","13.224","0.003","28.904","0.006","90","","90","","90","","3893.1","1.3","148","2","148","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 Cu3 I3 N2 P2 -","- C38 H36 Cu3 I3 N2 P2 -","- C152 H144 Cu12 I12 N8 P8 -","4","1","","Wei, Feng; Liu, Xiaochen; Liu, Zhiwei; Bian, Zuqiang; Zhao, Yongliang; Huang, Chunhui","Structural and photophysical study of copper iodide complex with P^N or P^N^P ligand","CrystEngComm","2014","16","24","5338","","10.1039/c4ce00315b","","","0.71073","MoKα","","0.0431","0.0356","","","0.0632","0.0656","","","","","","1.238","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215883","9.8","0.005","16.008","0.005","34.268","0.005","90","","90","","90","","5376","3","293","2","293","2","","","","","","","synthesis as described","8","P 21 21 21","P 2ac 2ab","19","Compound X","","","- C57 H56 Cl N5 O9 P2 Ru S -","- C57 H56 Cl N5 O9 P2 Ru S -","- C228 H224 Cl4 N20 O36 P8 Ru4 S4 -","4","1","","Martins, Felipe Terra; Corrêa, Rodrigo S.; Batista, Alzir Azevedo; Ellena, Javier","Quasi-enantiomeric single-nucleoside and quasi-racemic two-nucleoside hydrochloride salts and ruthenium complexes of cytidine and 2′,3′-dideoxycytidine analogs unveiling the negligible structure-driving role of the 2′,3′-moieties","CrystEngComm","2014","16","30","7013","","10.1039/C4CE00678J","","x-ray","0.71073","MoKα","","0.1054","0.0692","","","0.1495","0.1655","","","","","","1.032","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215887","5.05836","0.00011","7.1121","0.0003","45.2723","0.0017","90","","90","","90","","1628.7","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-alanine","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (S)-2-Aminopropionic acid","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.68239","","","0.0512","0.05","","","0.1338","0.1349","","","","","","1.096","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215888","5.3366","0.0004","6.9013","0.0006","44.227","0.004","90","","90","","90","","1628.9","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen D-alanine","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (R)-2-Aminopropionic acid","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C68 H84 N4 O20 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.71073","MoKα","","0.1001","0.0833","","","0.2141","0.2249","","","","","","1.139","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215889","5.88418","0.00016","11.3844","0.0003","34.6863","0.0009","90","","90","","90","","2323.56","0.11","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen D-tryptophan monohydrate","(+)-(S)-2-(6-methoxynaphthalen-2-yl) propanoic acid (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid monohydrate","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Structural insight into cocrystallization with zwitterionic co-formers: cocrystals of S-naproxen","CrystEngComm","2014","16","35","8185","","10.1039/C4CE00353E","","x-ray","0.71073","MoKα","","0.0688","0.046","","","0.0901","0.0992","","","","","","1.033","","","","has coordinates","180489","2020-10-21","18:00:00",""
"7215922","6.7021","0.0015","9.134","0.002","37.734","0.01","90","","90","","90","","2310","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N6 O10 S2 -","- C18 H24 N6 O10 S2 -","- C72 H96 N24 O40 S8 -","4","1","","Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon transferability probed with IR spectroscopy: cytosine salts as models for salts of lamivudine","CrystEngComm","2014","16","22","4732","","10.1039/c3ce42156b","","","0.71073","MoKα","","0.0672","0.0588","","","0.1465","0.1631","","","","","","1.092","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7215961","5.9825","0.0011","9.0582","0.0017","34.096","0.006","90","","90","","90","","1847.7","0.6","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H24 Ca Cl2 N2 O4 -","- C11 H24 Ca Cl2 N2 O4 -","- C44 H96 Ca4 Cl8 N8 O16 -","4","1","","Grepioni, Fabrizia; Wouters, Johan; Braga, Dario; Nanna, Saverio; Fours, Baptiste; Coquerel, Gérard; Longfils, Geraldine; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Ionic co-crystals of racetams: solid-state properties enhancement of neutral active pharmaceutical ingredients via addition of Mg2+ and Ca2+ chlorides","CrystEngComm","2014","16","26","5887","","10.1039/c4ce00409d","","x-ray","0.71073","MoKα","","0.0443","0.0377","","","0.0861","0.0886","","","","","","1.092","","","","has coordinates","180490","2020-10-21","18:00:00",""
"7216049","5.7837","0.0003","6.0328","0.0003","12.3406","0.0006","90","","90","","90","","430.59","0.04","293.1","","293.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kimura, Fumiko; Oshima, Wataru; Matsumoto, Hiroko; Uekusa, Hidehiro; Aburaya, Kazuaki; Maeyama, Masataka; Kimura, Tsunehisa","Single crystal structure analysis via magnetically oriented microcrystal arrays","CrystEngComm","2014","16","29","6630","","10.1039/c4ce00839a","","","1.54187","CuKα","","","0.0662","","","","0.1718","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216098","6.1272","0.0008","7.262","0.001","45.252","0.006","90","","90","","90","","2013.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.0601","0.0444","","","0.1085","0.1128","","","","","","1.062","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216099","6.212","0.001","7.213","0.002","44.481","0.009","90","","90","","90","","1993.1","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.1165","0.0843","","","0.2254","0.2437","","","","","","1.074","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216100","6.1739","0.0008","7.1907","0.0009","44.763","0.007","90","","90","","90","","1987.2","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.126","0.1161","","","0.2475","0.2515","","","","","","1.165","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216177","7.7195","0.0005","8.2128","0.0005","26.4533","0.0017","90","","90","","90","","1677.11","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 N2 O8 -","- C14 H20 N2 O8 -","- C56 H80 N8 O32 -","4","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1123","0.0678","","","0.1084","0.121","","","","","","1.084","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216178","6.9544","0.0005","11.7552","0.0008","26.8723","0.0019","90","","90","","90","","2196.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N2 O7 -","- C20 H30 N2 O7 -","- C80 H120 N8 O28 -","4","1","","Karmakar, Anirban; Oliver, Clive L.; Platero-Prats, Ana E.; Laurila, Elina; Öhrström, Lars","Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids","CrystEngComm","2014","16","35","8243","","10.1039/C4CE00605D","","","0.71073","MoKα","","0.1196","0.0615","","","0.1383","0.1635","","","","","","1.016","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216241","7.673","0.006","13.318","0.011","16.25","0.014","90","","90","","90","","1661","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","COCRYSTAL 1","","","- C12 H13 Cl N6 O5 S2 -","- C12 H13 Cl N6 O5 S2 -","- C48 H52 Cl4 N24 O20 S8 -","4","1","","Wang, Jian-Rong; Ye, Chanjuan; Mei, Xuefeng","Structural and physicochemical aspects of hydrochlorothiazide co-crystals","CrystEngComm","2014","16","30","6996","","10.1039/C4CE00666F","","","0.71073","MoKα","","0.112","0.0538","","","0.0996","0.1215","","","","","","1.022","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216245","9.0139","0.0003","21.2524","0.0008","22.2753","0.0008","90","","90","","90","","4267.2","0.3","120","0.2","120","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","disodium guanosine-5-phosphate heptahydrate","","- C10 H26 N5 Na2 O15 P -","- C10 H26 N5 Na2 O15 P -","- C80 H208 N40 Na16 O120 P8 -","8","2","","Dračínský, Martin; Šála, Michal; Hodgkinson, Paul","Dynamics of water molecules and sodium ions in solid hydrates of nucleotides","CrystEngComm","2014","16","29","6756","","10.1039/c4ce00727a","","","0.71073","MoKα","","0.116","0.0794","","","0.1792","0.2118","","","","","","1.029","","","","has coordinates","180493","2020-10-21","18:00:00",""
"7216290","6.3603","0.0001","7.8252","0.0002","23.533","0.0005","90","","90","","90","","1171.25","0.04","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Grosshans, Philippe; Jouaiti, Abdelaziz; Bulach, V�ronique; Planeix, Jean-Marc; Hosseini, Mir Wais; Nicoud, Jean-Fran�ois","Molecular tectonics: design of enantiomerically pure single-stranded helical H-bonded molecular networks","CrystEngComm","2003","5","73","414","","10.1039/b312172k","","","0.71073","Mo-Kα","","0.055","0.038","","0.064","","0.056","","","1.248","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216308","6.6496","0.0008","14.856","0.0017","17.325","0.002","90","","90","","90","","1711.5","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 B Cu F4 N S4 -","- C10 H19 B Cu F4 N S4 -","- C40 H76 B4 Cu4 F16 N4 S16 -","4","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.0493","0.0394","","","0.1091","0.1161","","","","","","0.848","","","","has coordinates","180494","2020-10-21","18:00:00",""
"7216309","12.1164","0.0017","16.379","0.002","19.486","0.003","90","","90","","90","","3867.1","0.9","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H35 B3 Cl2 Cu3 F12 N3 S6 -","- C19 H35 B3 Cl2 Cu3 F12 N3 S6 -","- C76 H140 B12 Cl8 Cu12 F48 N12 S24 -","4","1","","Knaust, Jacqueline M.; Keller, Steven W.","Supermolecular coordination isomers: synthesis and crystal structures of four new one-dimensional copper(i) coordination polymers with 1,3-dithiane","CrystEngComm","2003","5","81","459","","10.1039/b310360a","","","0.71073","MoKα","","0.0974","0.0572","","","0.142","0.1621","","","","","","1.028","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7216452","5.7765","0.0006","13.4566","0.0013","19.456","0.002","90","","90","","90","","1512.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl N3 O -","- C15 H18 Cl N3 O -","- C60 H72 Cl4 N12 O4 -","4","1","","Davey, Roger J.; Sadiq, Ghazala; Seaton, Colin C.; Pritchard, Robin G.; Coquerel, Gerard; Rougeot, Celine","Racemic compound versus conglomerate: concerning the crystal chemistry of the triazoylketone, 1-(4-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one","CrystEngComm","2014","16","21","4377","","10.1039/c4ce00615a","","x-ray","0.71073","MoKα","","0.0881","0.0557","","","0.0774","0.0901","","","","","","1.007","","","","has coordinates","180495","2020-10-21","18:00:00",""
"7216500","5.5541","0.0011","8.5531","0.0017","25.38","0.005","90","","90","","90","","1205.7","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","none","4-aminobenzoic acid + 2-amino-4-methylpyridine","","- C13 H15 N3 O2 -","- C13 H15 N3 O2 -","- C52 H60 N12 O8 -","4","1","","Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R.","Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation","CrystEngComm","2014","16","26","5802","","10.1039/c3ce41963k","","","0.71073","MoKα","","0.0802","0.0389","","","0.0711","0.0795","","","","","","0.94","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216532","6.0536","0.0007","10.5285","0.0016","24.444","0.003","90","","90","","90","","1557.9","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C52 H40 I4 N12 O24 -","4","1","","Jones, Charlotte L.; Wilson, Chick C.; Thomas, Lynne H.","Turning colour on and off using molecular disorder and proton transfer in multi-component molecular complexes","CrystEngComm","2014","16","26","5849","","10.1039/c4ce00229f","","","0.71075","MoKα","","0.0249","0.0211","","","0.0449","0.0505","","","","","","1.154","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216547","7.482","0.0001","22.751","0.0003","36.294","0.0005","90","","90","","90","","6178.07","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl O3 -","- C22 H31 Cl O3 -","- C264 H372 Cl12 O36 -","12","3","","Ruiz, Alberto; Pérez, Hiram; Morera-Boado, Cercis; Almagro, Luis; da Silva, Cecilia C. P.; Ellena, Javier; García de la Vega, José M.; Martínez-Álvarez, Roberto; Suárez, Margarita; Martín, Nazario","Unusual hydrogen bond patterns contributing to supramolecular assembly: conformational study, Hirshfeld surface analysis and density functional calculations of a new steroid derivative","CrystEngComm","2014","16","33","7802","","10.1039/C4CE00709C","","","0.71073","MoKα","","0.0669","0.0484","","","","0.12","","","","","","1.027","","","","has coordinates","180496","2020-10-21","18:00:00",""
"7216611","6.91","0.002","11.91","0.003","19.481","0.005","90","","90","","90","","1603.2","0.7","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N2 O5 -","- C16 H21 N2 O5 -","- C64 H84 N8 O20 -","4","1","","Minguet, Maria; Amabilino, David B.; Vidal-Gancedo, José; Wurst, Klaus; Veciana, Jaume","Racemic and enantiomerically pure phenyl α-nitronyl nitroxide radicals: influence of chirality on solution and solid state propertiesElectronic supplementary information (ESI) available: figures showing alternative views of the crystal structures and the shortest distances between SOMOs in the crystals. See http://www.rsc.org/suppdata/jm/b1/b106239p/","Journal of Materials Chemistry","2002","12","3","570","","10.1039/b106239p","","","0.71073","MoKα","","0.0413","0.0322","","0.0776","0.0728","","","","1.055","1.085","1.085","","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216765","13.208","0.0002","14.389","0.0002","16.8169","0.0002","90","","90","","90","","3196.05","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N4 S -","- C18 H18 N4 S -","- C144 H144 N32 S8 -","8","2","","Afraj, Shakil N.; Chen, Chinpiao; Lee, Gene-Hsian","Manganese(ii) chloride catalyzed highly efficient one-pot synthesis of propargylamines and fused triazoles via three-component coupling reaction under solvent-free condition","RSC Advances","2014","4","50","26301","","10.1039/c4ra03232b","","","0.71073","MoKα","","0.0718","0.04","","","0.0905","0.1053","","","","","","1.023","","","","has coordinates,has disorder","180498","2020-10-21","18:00:00",""
"7216770","10.1448","0.0012","11.9933","0.0014","13.9849","0.0016","90","","90","","90","","1701.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Coordination polymer","","","- C18 H12 Co N4 O4 S -","- C18 H12 Co N4 O4 S -","- C72 H48 Co4 N16 O16 S4 -","4","1","","Singh, Namita; Anantharaman, Ganapathi","Structural diversity and luminescence properties of coordination polymers based on mixed ligands, 2,5-bis(imidazol-1-yl)thiophene (thim2) and aromatic multicarboxylates","CrystEngComm","2014","16","34","7914","","10.1039/C4CE00927D","","","0.71073","MoKα","","0.0439","0.0372","","","0.084","0.0908","","","","","","1.097","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216825","21.5","0.011","21.5","0.011","22.454","0.012","90","","90","","90","","10379","9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54.5 H52 I N9 O7.5 Zn -","- C54.5 H37 I N9 O7.5 Zn -","- C436 H296 I8 N72 O60 Zn8 -","8","2","","Kojima, Tatsuhiro; Yamada, Tomofumi; Yakiyama, Yumi; Ishikawa, Eri; Morita, Yasushi; Ebihara, Masahiro; Kawano, Masaki","The diversity of Zn(ii) coordination networks composed of multi-interactive ligand TPHAP−via weak intermolecular interaction","CrystEngComm","2014","16","28","6335","","10.1039/c3ce42382d","","","0.71073","MoKα","","0.1357","0.089","","","0.2329","0.2519","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216866","8.159","0.003","17.37","0.005","21.182","0.007","90","","90","","90","","3002","1.7","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 Cl F6 N3 Ru Sb -","- C29 H29 Cl F6 N3 Ru Sb -","- C116 H116 Cl4 F24 N12 Ru4 Sb4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Chiral pyridylimidazolines: synthesis, arene ruthenium complexes and application in asymmetric catalysis","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1500","","10.1039/b103175a","","","0.71073","MoKα","","0.0742","0.0471","","","0.0931","0.1064","","","","","","1.088","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216867","8.566","0.003","17.569","0.008","20.345","0.005","90","","90","","90","","3061.8","1.9","195","2","195","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Cl F6 N3 Ru Sb -","- C30 H31 Cl F6 N3 Ru Sb -","- C120 H124 Cl4 F24 N12 Ru4 Sb4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Chiral pyridylimidazolines: synthesis, arene ruthenium complexes and application in asymmetric catalysis","Journal of the Chemical Society, Perkin Transactions 1","2001","","13","1500","","10.1039/b103175a","","","0.71073","MoKα","","0.0615","0.0461","","","0.105","0.113","","","","","","1.038","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216878","10.514","0.002","28.46","0.002","5.86","0.002","90","","90","","90","","1753.5","0.7","288","2","288","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","mpc","Macrosphelide C","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Yamada, Takeshi; Iritani, Masashi; Doi, Mitsunobu; Minoura, Katsuhiko; Ito, Tadayoshi; Numata, Atsushi","Absolute stereostructures of cell-adhesion inhibitors, macrosphelides C, E–G and I, produced by a Periconia species separated from an Aplysia sea hare","Journal of the Chemical Society, Perkin Transactions 1","2001","","22","3046","","10.1039/b104337b","","","1.5418","CuKα","","0.0532","0.0437","","","0.1055","0.1135","","","","","","1.06","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216882","8.48","0.001","9.322","0.002","20.143","0.003","90","","90","","90","","1592.3","0.5","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 B N O4 -","- C15 H24 B N O4 -","- C60 H96 B4 N4 O16 -","4","1","","Blakemore, Paul R.; Kim, Sung-Kee; Schulze, Volker K.; White, James D.; Yokochi, Alexandre F. T.","Asymmetric synthesis of (+)-loline, a pyrrolizidine alkaloid from rye grass and tall fescue","Journal of the Chemical Society, Perkin Transactions 1","2001","","15","1831","","10.1039/b103936a","","","1.54178","CuKα","","0.0447","0.0362","","","0.0866","0.0955","","","","","","1.08","","","","has coordinates","180499","2020-10-21","18:00:00",""
"7216912","9.685","0.004","21.585","0.005","7.745","0.004","90","","90","","90","","1619.1","1.1","296.2","","296.2","","","","","","","","synthesis","6","P 21 21 21","P 2ac 2ab","19","Methyl (2E,4S,5S)-4-chloro-5-(4-methylphenylsulfonylamino)hex-2-enoate","","","- C14 H18 Cl N O4 S -","- C14 H18 Cl N O4 S -","- C56 H72 Cl4 N4 O16 S4 -","4","1","","Oishi, Shinya; Tamamura, Hirokazu; Yamashita, Masaki; Odagaki, Yoshihiko; Hamanaka, Nobuyuki; Otaka, Akira; Fujii, Nobutaka","Stereoselective synthesis of a set of two functionalized (E)-alkene dipeptide isosteres of L-amino acid-L-Glu and L-amino acid-D-Glu","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2445","","10.1039/b103833h","","","1.5418","CuKα","","","0.0519","","","0.0656","","","","","5.24","5.24","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216913","11.78","0.008","35.92","0.01","6.24","0.01","90","","90","","90","","2640","5","296.2","","296.2","","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","Mts-L-Phe-Y[(E)-CH=CH]-D-Glu(OMe)-OMe","","","- C26 H33 N O6 S -","- C26 H33 N O6 S -","- C104 H132 N4 O24 S4 -","4","1","","Oishi, Shinya; Tamamura, Hirokazu; Yamashita, Masaki; Odagaki, Yoshihiko; Hamanaka, Nobuyuki; Otaka, Akira; Fujii, Nobutaka","Stereoselective synthesis of a set of two functionalized (E)-alkene dipeptide isosteres of L-amino acid-L-Glu and L-amino acid-D-Glu","Journal of the Chemical Society, Perkin Transactions 1","2001","","19","2445","","10.1039/b103833h","","","1.5418","CuKα","","","0.0957","","","0.1005","","","","","3.506","3.506","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216921","5.4613","0.0009","16.035","0.003","20.772","0.003","90","","90","","90","","1819","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","trans-7,7-(ethylenedioxy)bicyclo(4.4.0)dec-3-yl p-nitrobenzoate","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Aburel, Pompiliu S.; Rømming, Christian; Undheim, Kjell","Rhodium(II)-carbenoid C‒H insertion reactions in the synthesis of α,β′-dioxospirane systems","Journal of the Chemical Society, Perkin Transactions 1","2001","","9","1024","","10.1039/b100179p","","","0.71073","MoKα","","0.0548","0.0379","","","0.0873","0.1053","","","","","","1.033","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216928","14.101","0.005","23.237","0.005","8.945","0.003","90","","90","","90","","2931","1.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H38 N2 O2 -","- C35 H38 N2 O2 -","- C140 H152 N8 O8 -","4","1","","Foxon, Simon P.; Lindsay Smith, John R.; O’Brien, Peter; Reginato, Gloriana","The synthesis and spectroscopic characterisation of chiral meso-tetraarylmetalloporphyrins bearing meso-pentafluorophenyl groups","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1145","","10.1039/b100478f","","","0.71069","MoKα","","0.2722","0.0545","","","0.0953","0.153","","","","","","0.961","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216931","11.281","0.003","17.888","0.003","23.95","0.003","90","0.03","90","0.03","90","0.03","4833","1.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25.5 O4 -","- C29 H25.5 O4 -","- C232 H204 O32 -","8","2","","Apel, Sylke; Nitsche, Silke; Beketov, Kayrat; Seichter, Wilhelm; Seidel, J.; Weber, Edwin","4,4′-(Fluorene-9,9-diyl)diphenol: a new versatile building block for clathrate type and macrocyclic host‒guest inclusion","Journal of the Chemical Society, Perkin Transactions 2","2001","","7","1212","","10.1039/b008451o","","","1.5418","CuKα","","0.1115","0.0638","","0.1907","0.1612","","","","1.048","1.16","1.16","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216945","7.8764","0.0009","13.8784","0.0018","15.138","0.0017","90","","90","","90","","1654.8","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 F6 P3 -","- C12 H25 F6 P3 -","- C48 H100 F24 P12 -","4","1","","Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David; Oliva, Josep M.","Superbasic bridgehead diphosphines: the effects of strain and intrabridgehead P · · · P bonding on phosphine basicity","Journal of the Chemical Society, Perkin Transactions 2","2001","","3","282","","10.1039/b008903f","","","0.71073","MoKα","","0.0259","0.0254","","","0.0669","0.0676","","","","","","1.053","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216947","19.099","0.003","19.789","0.002","11.98","0.002","90","","90","","90","","4527.8","1.1","296.2","","296.2","","","","","","","","Synthesis by Inai, et al.","4","P 21 21 21","P 2ac 2ab","19","Boc-L-Pro-(Aib-δ^Z^Phe)~2~-Aib-OMe","","","- C41 H54 N6 O9 -","- C41 H47 N6 O9 -","- C164 H188 N24 O36 -","4","1","","Inai, Yoshihito; Oshikawa, Tatsuo; Yamashita, Mitsuji; Hirabayashi, Tadamichi; Ashitaka, Satoru","Solid-state conformations of oligopeptides possessing an -(Aib-ΔZPhe)2- segment†","Journal of the Chemical Society, Perkin Transactions 2","2001","","6","892","","10.1039/b100774m","","","1.5418","CuKα","","0.1934","0.1177","","0.3287","","","","","1.973","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216975","7.813","0.0005","7.9994","0.0005","29.763","0.002","90","","90","","90","","1860.2","0.2","93","2","93","2","","","","","","","chemical synthesis","3","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(2',5'-dimethoxy-4'-methyl)propane","","- C21 H28 O4 -","- C21 H28 O4 -","- C84 H112 O16 -","4","1","","Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.","Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1585","","10.1039/b103139m","","","0.71073","MoKα","","0.0487","0.0386","","0.1055","0.0943","","","","1.036","1.065","1.065","","","","","has coordinates","180500","2020-10-21","18:00:00",""
"7216990","14.414","0.001","19.377","0.002","26.997","0.002","90","","90","","90","","7540.3","1.1","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","6-deoxy-6-(1-propylamino)-beta-cyclodextrin","6-deoxy-6-(1-propylamino)cyclomaltoheptaose","","- C45 H97 N O44 -","- C45 H52 N O44.62 -","- C180 H208 N4 O178.48 -","4","1","","Harata, Kazuaki; Takenaka, Yasushi; Yoshida, Noboru","Crystal structures of 6-deoxy-6-monosubstituted β-cyclodextrins. Substituent-regulated one-dimensional arrays of macrocycles†","Journal of the Chemical Society, Perkin Transactions 2","2001","","9","1667","","10.1039/b101521o","","","1.5418","CuKα","","0.1139","0.0948","","","0.2387","0.2593","","","","","","1.072","","","","has coordinates,has disorder","180500","2020-10-21","18:00:00",""
"7217024","15.332","0.002","8.6055","0.001","34.795","0.004","90","","90","","90","","4590.8","1","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 N4 Ni O8 P2 S4 -","- C42 H46 N4 Ni O8 P2 S4 -","- C168 H184 N16 Ni4 O32 P8 S16 -","4","1","","Crespo Alonso, M.; Arca, M.; Isaia, F.; Lai, R.; Lippolis, V.; Callear, S. K.; Caricato, M.; Pasini, D.; Coles, S. J.; Aragoni, M. C.","Stereospecific generation of homochiral helices in coordination polymers built from enantiopure binaphthyl-based ligands","CrystEngComm","2014","16","36","8582","","10.1039/C4CE01101E","","","0.71073","MoKα","","0.2125","0.1495","","","0.2815","0.3147","","","","","","1.162","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217030","10.4426","0.0006","12.0149","0.0007","21.139","0.0013","90","","90","","90","","2652.2","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N3 O7 -","- C30 H28 N3 O7 -","- C120 H112 N12 O28 -","4","1","","Sengoku, Tetsuya; Suzuki, Kosuke; Nakayama, Ken; Fumitoshi, Yagishita; Sakamoto, Masami; Takahashi, Masaki; Yoda, Hidemi","Novel chiral tetramic acid‒derived diols: organocatalytic facile synthesis and unique structural properties","RSC Advances","2014","","","","","10.1039/c4ra05405a","","","1.54178","CuKα","","0.1078","0.1071","","","0.2861","0.2866","","","","","","1.107","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217039","7.408","0.001","14.011","0.002","21.402","0.004","90","","90","","90","","2221.4","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","{[Cu2(Hsersal)2(H2O)].H2O}n","","","- C20 H26 Cu2 N2 O10 -","- C20 H26 Cu2 N2 O10 -","- C80 H104 Cu8 N8 O40 -","4","1","","Kumar, Navnita; Khullar, Sadhika; Singh, Yogesh; Mandal, Sanjay K.","Hierarchical importance of coordination and hydrogen bonds in the formation of homochiral 2D coordination polymers and 2D supramolecular assemblies","CrystEngComm","2014","16","29","6730","","10.1039/c4ce00387j","","","0.71073","MoKα","","0.0561","0.0415","","","0.0882","0.0954","","","","","","0.966","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217068","9.2918","0.0008","20.1508","0.0017","25.42","0.002","90","","90","","90","","4759.6","0.7","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cl2 O2 P2 Pd -","- C58 H54 Cl2 O2 P2 Pd -","- C232 H216 Cl8 O8 P8 Pd4 -","4","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","0.71073","MoKα","","0.0297","0.0258","","","0.0599","0.0621","","","","","","1.015","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217069","9.7484","0.0007","19.9815","0.0015","25.907","0.0019","90","","90","","90","","5046.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H55 Cl O2 P2 Pd -","- C59 H55 Cl O2 P2 Pd -","- C236 H220 Cl4 O8 P8 Pd4 -","4","1","","Wang, Hui; Hu, Ruo Xin; Pang, Xue; Gao, Hai Yue; Jin, Wei Jun","The phosphorescent co-crystals of 1,4-diiodotetrafluorobenzene and bent 3-ring-N-heterocyclic hydrocarbons by C‒I⋯N and C‒I⋯π halogen bonds","CrystEngComm","2014","16","34","7942","","10.1039/C4CE00813H","","","0.71073","MoKα","","0.0349","0.0311","","","0.0744","0.0761","","","","","","1.036","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217093","11.231","0.0005","17.3234","0.0007","31.724","0.0019","90","","90","","90","","6172.2","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C240 H384 O48 -","16","4","","Zhang, Zhan-Xin; Li, Hui-Hong; Qi, Feng-Ming; Dong, Le-Le; Hai, Yang; Fan, Gai-Xia; Fei, Dong-Qing","Crocrassins A and B: two novel sesquiterpenoids with an unprecedented carbon skeleton from Croton crassifolius","RSC Advances","2014","4","57","30059","","10.1039/C4RA03798G","","","1.54184","CuKα","","0.0953","0.0706","","","0.1746","0.2085","","","","","","1.021","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217098","6.377","0.009","6.3842","0.0001","25.357","0.009","90","","90","","90","","1032.3","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- O56 P8 Pb4 V8 -","- O56 P8 Pb4 V8 -","- O56 P8 Pb4 V8 -","1","0.25","","Le Fur, E.; Pivan, J. Y.","Synthesis, crystal structure and magnetic properties of the novel stacking variant lamellar lead oxovanadium phosphate hydrate β‐Pb(VOPO4)2ṡ4H2O. Crystal chemical relationships with related intercalated M(VOPO4)2ṡyH2O compounds","Journal of Materials Chemistry","1999","9","10","2589","","10.1039/a901048c","","","0.71073","MoKα","","0.0424","0.0307","","","0.0813","0.0877","","","","","","1.063","","","","has coordinates","180501","2020-10-21","18:00:00",""
"7217133","7.2319","0.0013","8.6574","0.0013","19.901","0.003","90","","90","","90","","1246","0.3","294","1","294","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-Dimethylamino-4-trifluoroacetylnaphthalene 13","","- C14 H12 F3 N O -","- C14 H12 F3 N O -","- C56 H48 F12 N4 O4 -","4","1","","Mercadal, Nerea; Day, Stephen P.; Jarmyn, Andrew; Pitak, Mateusz B.; Coles, Simon J.; Wilson, Claire; Rees, Gregory J.; Hanna, John V.; Wallis, John D.","O- vs. N-protonation of 1-dimethylaminonaphthalene-8-ketones: formation of a peri N‒C bond or a hydrogen bond to the pi-electron density of a carbonyl group","CrystEngComm","2014","16","36","8363","","10.1039/C4CE00981A","","","0.71073","","","0.092","0.0602","","","0.114","0.1298","","","","","","1.067","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217160","5.79405","0.00011","10.39092","0.00018","22.3131","0.0004","90","","90","","90","","1343.37","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O -","- C15 H19 N O -","- C60 H76 N4 O4 -","4","1","","Held, Felix E.; Wei, Shengwei; Eder, Kathrin; Tsogoeva, Svetlana","One-Pot Route to beta-Adrenergic Blockers via Enantioselective Organocatalysed Epoxidation of Terminal Alkenes as a Key Step","RSC Advances","2014","","","","","10.1039/C4RA04011B","","","1.54184","CuKα","","0.0389","0.0373","","","0.0988","0.1012","","","","","","1.04","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217185","10.0646","0.0011","15.6235","0.0017","20.246","0.002","90","","90","","90","","3183.6","0.6","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H36 Cl2 N2 O4 -","- C37 H36 Cl2 N2 O4 -","- C148 H144 Cl8 N8 O16 -","4","1","","Qureshi, Naseem; Yufit, Dimitri S.; Steed, Kirsty M.; Howard, Judith A. K.; Steed, Jonathan W.","Hydrogen bonding effects in anion binding calixarenes","CrystEngComm","2014","16","36","8413","","10.1039/C4CE01240B","","","0.71073","MoKα","","0.07","0.047","","","0.0789","0.086","","","","","","0.982","","","","has coordinates","180502","2020-10-21","18:00:00",""
"7217190","7.9725","0.001","14.7293","0.0017","44.097","0.005","90","","90","","90","","5178.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N3 Ni S7 -","- C20 H22 N3 Ni S7 -","- C160 H176 N24 Ni8 S56 -","8","2","","Chen, Xuan-Rong; Sui, Yun-Xia; Zhai, Lu; Ning, Wei-Hua; Ren, Xiao-Ming","Influence of the molecular structures of dithiolate ligands on crystal packing modes and magnetic properties in salts (Bz-Et3N)[Ni(dmit)x(mnt)2−x] (x = 0‒2)","CrystEngComm","2014","16","37","8717","","10.1039/C4CE01168F","","","0.71073","MoKα","","0.2155","0.0612","","","0.0697","0.0915","","","","","","0.963","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7217271","13.1245","0.0005","17.9402","0.0006","18.6539","0.0007","90","","90","","90","","4392.2","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H52 Cl2 O11 P2 Zn -","- C42 H52 Cl2 O11 P2 Zn -","- C168 H208 Cl8 O44 P8 Zn4 -","4","1","","Galkina, Irina; Tufatullin, Artem; Krivolapov, Dmitry; Bakhtiyarova, Yuliya; Chubukaeva, Dinara; Stakheev, Vitaly; Galkin, Vladimir; Cherkasov, Rafael; Büchner, Bernd; Kataeva, Olga","Crystal structure of phosphonium carboxylate complexes. The role of the metal coordination geometry, ligand conformation and hydrogen bonding","CrystEngComm","2014","16","38","9010","","10.1039/C4CE01361A","","","0.71073","MoKα","","0.0322","0.0279","","","0.0694","0.0715","","","","","","1.036","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217452","6.0409","0.0002","8.0224","0.0003","27.0534","0.001","90","","90","","90","","1311.08","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16.36 H16.07 Cl0.64 N2 -","- C16.356 H16.068 Cl0.644 N2 -","- C65.424 H64.272 Cl2.576 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.0418","0.0376","","","0.0898","0.0914","","","","","","1.191","","","","has coordinates,has disorder","180505","2020-10-21","18:00:00",""
"7217456","8.4113","0.0001","9.0495","0.0001","25.1456","0.0003","90","","90","","90","","1914.03","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br2 Cl4 N2 -","- C16 H14 Br2 Cl4 N2 -","- C64 H56 Br8 Cl16 N8 -","4","1","","Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A.","Tröger's base quasiracemates and crystal packing tendencies","CrystEngComm","2014","16","31","7251","","10.1039/C4CE00323C","","","1.54178","CuKα","","0.028","0.0278","","","0.094","0.094","","","","","","1.222","","","","has coordinates","180505","2020-10-21","18:00:00",""
"7217625","7.03","0.0014","14.16","0.003","17.88","0.004","90","","90","0.03","90","","1779.9","0.7","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C64 H100 N4 O12 S4 -","4","1","","Reddy, Chennakesava; Srinivasarao, Arulananda Babu; Aslam, Nayyar Ahmad","Indium-assisted aluminium-based stereoselective allylation of prostereogenic α, α-disubstituted cycloalkanones and imines","RSC Advances","2014","","","","","10.1039/C4RA04293J","","","0.71073","MoKα","","0.0623","0.0475","","","0.1023","0.1109","","","","","","1.0305","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217644","7.2494","0.0019","13.352","0.004","16.888","0.005","90","","90","","90","","1634.7","0.8","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Cl N2 O -","- C19 H19 Cl N2 O -","- C76 H76 Cl4 N8 O4 -","4","1","","Chen, Ying-Chun; Li, Qing-Zhu; Gu, Jing","Organocatalytic Asymmetric [4+2] Formal Cycloadditions of Cyclohexenylidenemalononitriles and Enals to Construct Chiral Bicyclo[2.2.2]octanes","RSC Advances","2014","","","","","10.1039/C4RA07709A","","","0.71073","MoKα","","0.0652","0.0579","","","0.1405","0.1455","","","","","","1.002","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7217666","3.8884","0.0006","14.2024","0.0015","28.643","0.003","90","","90","","90","","1581.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H14 Cl N O -","- C23 H14 Cl N O -","- C92 H56 Cl4 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0641","0.0488","","","0.1147","0.1211","","","","","","1.007","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217667","3.9311","0.0003","14.2544","0.0009","28.777","0.003","90","","90","","90","","1612.5","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H14 Br N O -","- C23 H14 Br N O -","- C92 H56 Br4 N4 O4 -","4","1","","Safin, Damir A.; Bolte, Michael; Garcia, Yann","Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives","CrystEngComm","2014","16","37","8786","","10.1039/C4CE01325E","","","0.71073","MoKα","","0.0801","0.0722","","","0.1333","0.1375","","","","","","1.117","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217675","7.1319","0.0006","14.3359","0.0011","17.4859","0.0015","90","","90","","90","","1787.8","0.3","291.4","0.1","291.44","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","crotonlaevin N","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan","Labdane-Type Diterpenoids from Croton laevigatus","RSC Advances","2014","","","","","10.1039/C4RA04863F","","","1.5418","CuKα","","0.0419","0.0374","","","0.0977","0.1019","","","","","","1.073","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217677","6.519","0.002","17.905","0.006","31.128","0.01","90","","90","","90","","3633","2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","crotonlaevin P","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","2","","Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan","Labdane-Type Diterpenoids from Croton laevigatus","RSC Advances","2014","","","","","10.1039/C4RA04863F","","","0.71073","MoKα","","0.1383","0.0809","","","0.1654","0.194","","","","","","0.95","","","","has coordinates","180507","2020-10-21","18:00:00",""
"7217785","5.951","0.0019","15.899","0.005","21.4","0.016","90","","90","","90","","2024.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe","Ezetimibe","","- C24 H21 F2 N O3 -","- C24 H21 F2 N O3 -","- C96 H84 F8 N4 O12 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.1171","0.0561","","","0.1549","0.2013","","","","","","1.061","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217786","5.832","0.0002","15.752","0.0005","25.673","0.0013","90","","90","","90","","2358.47","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe-Imidazole","","","- C27 H25 F2 N3 O3 -","- C27 H25 F2 N3 O3 -","- C108 H100 F8 N12 O12 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.095","0.06","","","0.1678","0.1994","","","","","","1.046","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217787","6.14","0.0002","17.077","0.0007","21.35","0.0012","90","","90","","90","","2238.61","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ezetimibe-Formamide","Ezetimibe-Formamide","","- C25 H24 F2 N2 O4 -","- C25 H24 F2 N2 O4 -","- C100 H96 F8 N8 O16 -","4","1","","Shimpi, Manishkumar R.; Childs, Scott L.; Boström, Dan; Velaga, Sitaram P.","New cocrystals of ezetimibe withl-proline and imidazole","CrystEngComm","2014","16","38","8984","","10.1039/C4CE01127A","","","0.71073","MoKα","","0.0986","0.0551","","","0.1341","0.1599","","","","","","1.148","","","","has coordinates","180508","2020-10-21","18:00:00",""
"7217794","8.4553","0.0001","19.4162","0.0002","25.3236","0.0002","90","","90","","90","","4157.37","0.07","155.5","","155.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-epi-2-hydroxyacorenone","","","- C15 H24 O2 -","- C15 H24 O2 -","- C180 H288 O24 -","12","3","","Feng, Xiao-lin; Yu, Yang; Gao, Hao; Mu, Zhen-qiang; Cheng, Xiao-rui; Zhou, Wen-xia; Yao, Xin-sheng","New sesquiterpenoids from the rhizomes of Acorus tatarinowii","RSC Advances","2014","","","","","10.1039/C4RA06481J","","","1.54178","CuKα","","0.0297","0.0289","","","0.0749","0.0756","","","","","","1.047","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7217828","7.2022","0.0002","13.4802","0.0004","23.7766","0.0007","90","","90","","90","","2308.4","0.12","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 Cl4 N2 -","- C26 H20 Cl4 N2 -","- C104 H80 Cl16 N8 -","4","1","","Kempf, Julie; Noujeim, Nadim; Schmitzer, Andreea R.","2,4,7-triphenylbenzimidazole : the monomeric unit of supramolecular helical rod-like transmembrane transporters","RSC Advances","2014","","","","","10.1039/C4RA06887D","","","1.54178","CuKα","","0.0453","0.0429","","","0.1113","0.1136","","","","","","1.058","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217829","6.2121","0.0016","9.387","0.003","32.186","0.009","90","","90","","90","","1876.9","0.9","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O6 -","- C22 H20 O6 -","- C88 H80 O24 -","4","1","","Basireddy, Venkata Subba Reddy; Swain, Manisha; Reddy, S. Madhusudana; Yadav, Jhillu S.; Balasubramanian, Sridhar","Asymmetric Michael/hemiketalization of 5-hydroxy-2-methyl-4H-pyran-4-one to β,γ-unsaturated α-ketoesters catalyzed by a bifunctional rosin-indane amine thiourea catalyst","RSC Advances","2014","","","","","10.1039/C4RA06938B","","","0.71073","MoKα","","0.1013","0.0955","","","0.2149","0.2185","","","","","","1.339","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217830","7.9426","0.0011","8.8414","0.0012","24.229","0.003","90","","90","","90","","1701.5","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl O6 -","- C18 H17 Cl O6 -","- C72 H68 Cl4 O24 -","4","1","","Basireddy, Venkata Subba Reddy; Swain, Manisha; Reddy, S. Madhusudana; Yadav, Jhillu S.; Balasubramanian, Sridhar","Asymmetric Michael/hemiketalization of 5-hydroxy-2-methyl-4H-pyran-4-one to β,γ-unsaturated α-ketoesters catalyzed by a bifunctional rosin-indane amine thiourea catalyst","RSC Advances","2014","","","","","10.1039/C4RA06938B","","","0.71073","MoKα","","0.0597","0.0508","","","0.1232","0.1297","","","","","","1.102","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217858","9.2948","0.0018","10.79","0.002","19.871","0.004","90","","90","","90","","1992.9","0.7","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-isopropyl-L-leucine","","- C9 H19 N O2 -","- C9 H19 N O2 -","- C72 H152 N8 O16 -","8","2","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","0.71073","MoKα","","0.0488","0.039","","","0.0868","0.0907","","","","","","1.077","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217860","5.766","0.003","12.082","0.005","16.559","0.007","90","","90","","90","","1153.6","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-benzyl-L-valine","N-benzyl-S-2-amino-4-methylpropanoic acid","","- C12 H17 N O2 -","- C12 H17 N O2 -","- C48 H68 N4 O8 -","4","1","","Görbitz, C. H.; Leirvåg, A. B.; Jacobsen, Ø.","Hydrogen bond architecture in crystal structures of N-alkylated hydrophobic amino acids","CrystEngComm","2014","16","41","9631","","10.1039/C4CE01412J","","","1.54178","CuKα","","0.1087","0.0663","","","0.1081","0.1229","","","","","","1.081","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7217896","8.103","0.003","8.097","0.003","40.015","0.014","90","","90","","90","","2625.4","1.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N2 O3 P S2 -","- C25 H29 N2 O3 P S2 -","- C100 H116 N8 O12 P4 S8 -","4","1","","Cao, Deng-Ke; Wei, Ruo-Hong; Gu, Yan-Wei; Zhao, Yue; Ward, Mike D.","A mononuclear Dy(III) complex incoporating dithienylethene unit: crystalline-phase photochromism, magnetic and luminescent properties","RSC Adv.","2014","","","","","10.1039/C4RA05312E","","","0.71073","MoKα","","0.0949","0.0571","","","0.137","0.1576","","","","","","1.028","","","","has coordinates,has disorder","180509","2020-10-21","18:00:00",""
"7217897","9.4125","0.0004","9.9012","0.0004","16.0619","0.0007","90","","90","","90","","1496.89","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Equisetumone","","- C15 H26 O7 -","- C15 H26 O7 -","- C60 H104 O28 -","4","1","","Wei, Zuo-Fu; Chen, Yung-Husan; Sung, Ping-Jyun; Wang, Guey-Horng; Liou, Jing-Ru; Wang, Sheng-Yang; Chang, Shang Tzen; Zu, Yuan-Gang; Chiang, Michael, Y.; Fu, Yujie; Chang, F.-R.","Equisetumone, a novel 4-5-olide secocaryophyllane sesquiterpene from Equisetum palustre","RSC Adv.","2014","","","","","10.1039/C4RA08118H","","","1.54178","CuKα","","0.026","0.0259","","","0.0665","0.0666","","","","","","1.09","","","","has coordinates","180509","2020-10-21","18:00:00",""
"7218045","4.2028","0.0007","11.833","0.002","31.589","0.005","90","","90","","90","","1571","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl2 N2 -","- C18 H14 Cl2 N2 -","- C72 H56 Cl8 N8 -","4","1","","Ray, Jayanta K.; Singha, Raju","Transition metal free synthesis of 2,4,6-trisubstituted pyrimidines via Cope-type hydroamination of 1,4-diarylbuta-1,3-diynes","RSC Adv.","2014","","","","","10.1039/C4RA07690G","","","0.71073","MoKα","","0.1247","0.0485","","","0.0756","0.0939","","","","","","0.999","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218089","10.9284","0.0012","13.1429","0.0014","23.209","0.002","90","","90","","90","","3333.5","0.6","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Ag N5 O8 -","- C32 H38 Ag N5 O8 -","- C128 H152 Ag4 N20 O32 -","4","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.096","0.0594","","","0.1467","0.1686","","","","","","1.073","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218091","10.9131","0.0016","13.0435","0.0019","22.908","0.004","90","","90","","90","","3260.8","0.9","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Ag Cl N4 O9 -","- C32 H38 Ag Cl N4 O9 -","- C128 H152 Ag4 Cl4 N16 O36 -","4","1","","Cheng, Lin; Wang, Jun; Qi, Qi; Zhang, Xiuying; Yu, Haiyan; Gou, Shaohua; Fang, Lei","Temperature-induced one-dimensional chiral Ag(i) linear chains and left-handed 21helices: DFT studies, luminescence and SHG response","CrystEngComm","2014","16","43","10056","","10.1039/C4CE01601G","","","0.71073","MoKα","","0.0984","0.0748","","","0.156","0.1693","","","","","","1.025","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218094","8.23","0.0002","11.8142","0.0003","17.1253","0.0003","90","","90","","90","","1665.11","0.07","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Br2 O2 -","- C20 H12 Br2 O2 -","- C80 H48 Br8 O8 -","4","1","","Agnes, Marco; Sorrenti, Alessandro; Pasini, Dario; Wurst, Klaus; Amabilino, David B.","Crystal structure analyses facilitate understanding of synthesis protocols in the preparation of 6,6′-dibromo-substituted BINOL compounds","CrystEngComm","2014","16","43","10131","","10.1039/C4CE01160K","","","0.71073","MoKα","","0.0342","0.0288","","","0.0676","0.0699","","","","","","1.047","","","","has coordinates","180511","2020-10-21","18:00:00",""
"7218116","10.047","0.002","11.306","0.002","12.199","0.002","90","","90","","90","","1385.7","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C60 H72 N8 O4 -","4","1","","Wang, Hua; Wei, Wei; Wen, Jiangwei; Yang, Daoshan; Guo, Mengyuan; Tian, Laijin; You, Jinmao","Copper-catalyzed cyanoalkylarylation of activated alkenes with AIBN: a convenient and efficient approach to cyano-containing oxindoles","RSC Adv.","2014","","","","","10.1039/C4RA09022E","","","0.71073","MoKα","","0.0496","0.0434","","","0.1044","0.1083","","","","","","1.049","","","","has coordinates","180512","2020-10-21","18:00:00",""
"7218240","9.7674","0.001","13.8678","0.001","14.871","0.001","90","","90","","90","","2014.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N6 O -","- C22 H24 N6 O -","- C88 H96 N24 O4 -","4","1","","Benyei, Attila; Stirling, Andras; Bostai, Beatrix; Lőrincz, Krisztián; Kotschy, Andras","Out of cross-conjugation: The unexpected structure of tetrazinones","RSC Adv.","2014","","","","","10.1039/C4RA05616G","","","0.71073","MoKα","","0.0876","0.051","","","","0.1275","","","","","","1.077","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218248","12.6998","0.0007","13.0818","0.0008","24.7253","0.0013","90","","90","","90","","4107.8","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H39 Cu N2 O P2 S2 -","- C45 H39 Cu N2 O P2 S2 -","- C180 H156 Cu4 N8 O4 P8 S8 -","4","1","","Singh, Suryabhan; Bhattacharya, Subrato","Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes","RSC Adv.","2014","","","","","10.1039/C4RA07883G","","","0.71073","MoKα","","0.1115","0.0721","","","0.177","0.202","","","","","","1.038","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218251","13.094","0.005","17.908","0.005","18.12","0.005","90","0.005","90","0.005","90","0.005","4249","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H37 Cu O3 P2 S3 -","- C46 H37 Cu O3 P2 S3 -","- C184 H148 Cu4 O12 P8 S12 -","4","1","","Singh, Suryabhan; Bhattacharya, Subrato","Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes","RSC Adv.","2014","","","","","10.1039/C4RA07883G","","","0.71073","MoKα","","0.0807","0.0556","","","0.1287","0.1469","","","","","","1.001","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218252","13.1995","0.0011","18.078","0.003","18.115","0.003","90","","90","","90","","4322.6","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H39 Cu O2 P2 S3 -","- C48 H39 Cu O2 P2 S3 -","- C192 H156 Cu4 O8 P8 S12 -","4","1","","Singh, Suryabhan; Bhattacharya, Subrato","Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes","RSC Adv.","2014","","","","","10.1039/C4RA07883G","","","0.71073","MoKα","","0.1259","0.0822","","","0.1868","0.2395","","","","","","1.04","","","","has coordinates,has disorder","180513","2020-10-21","18:00:00",""
"7218258","15.675","0.002","18.849","0.005","19.855","0.005","90","","90","","90","","5866","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H42 N4 O8 S -","- C22 H42 N4 O8 S -","- C176 H336 N32 O64 S8 -","8","2","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0708","0.0473","","","0.1106","0.1297","","","","","","1.032","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218259","9.1689","0.0004","15.824","0.0005","21.6607","0.001","90","","90","","90","","3142.7","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N4 O8 S -","- C24 H46 N4 O8 S -","- C96 H184 N16 O32 S4 -","4","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.1329","0.0743","","","0.1899","0.2296","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218260","10.551","0.003","15.765","0.005","20.395","0.005","90","","90","","90","","3392.4","1.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H50 N4 O8 S -","- C26 H50 N4 O8 S -","- C104 H200 N16 O32 S4 -","4","1","","Gopinath, Pushparathinam; Ramkumar, Venkatachalam; Muraleedharan, Kannoth Manheri","Peptide turns through just ‘one atom’! A sulfamide group nucleates folding and stabilizes new supramolecular topologies in short peptides","CrystEngComm","2014","16","45","10371","","10.1039/C4CE01938E","","","0.71073","MoKα","","0.0691","0.0536","","","0.1299","0.1423","","","","","","1.036","","","","has coordinates","180513","2020-10-21","18:00:00",""
"7218335","7.8034","0.001","9.521","0.0013","30.485","0.004","90","","90","","90","","2264.9","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Br N3 O4 S -","- C25 H18 Br N3 O4 S -","- C100 H72 Br4 N12 O16 S4 -","4","1","","Xie, Jian-Wu; Fu, Zu-Kang; Pan, Jin-Yun; Xu, Dong-Cheng","Organocatalytic Domino Michael/Cyclization Reaction: Efficient Synthesis of Multi-functionalized Tetracyclic Spirooxindoles with Multiple Stereocenters","RSC Adv.","2014","","","","","10.1039/C4RA07860H","","","0.71073","MoKα","","0.0588","0.0372","","","0.0736","0.0798","","","","","","1.004","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7218378","12.4349","0.0004","14.1604","0.0004","21.7232","0.0008","90","","90","","90","","3825.1","0.2","140","0.1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 Cl2 N5 P Ru -","- C33 H32 Cl2 N5 P Ru -","- C132 H128 Cl8 N20 P4 Ru4 -","4","1","","Zhu, Zhu; Zhang, Jie; Fu, Haiyan; Yuan, Maolin; Zheng, Xueli; Chen, Hua; li, ruixiang","Construction of Pincer-Type symmetrical Ruthenium(II) complexes bearing a Pyridyl-2,6-Pyrazolyl Arms: Catalytic Behavior in Transfer Hydrogenation of Ketones","RSC Adv.","2014","","","","","10.1039/C4RA07524B","","","0.7107","MoKα","","0.0532","0.0446","","","0.1213","0.1266","","","","","","1.059","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218396","7.5759","0.0006","11.0478","0.001","23.488","0.002","90","","90","","90","","1965.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Cl N O2 -","- C22 H22 Cl N O2 -","- C88 H88 Cl4 N4 O8 -","4","1","","Ye, Weijian; Li, Yan; Zhou, Lanxiang; Liu, Juanjuan; Wang, Cunde","Three-component reaction between substituted β-nitrostyrenes, β-dicarbonyl compounds and amines: diversity-oriented synthesis of novel β-enaminones","Green Chem.","2015","17","1","188","","10.1039/C4GC01234H","","","0.71073","MoKα","","0.0956","0.0577","","","0.1418","0.1606","","","","","","0.997","","","","has coordinates","180514","2020-10-21","18:00:00",""
"7218404","7.1884","0.0002","10.329","0.0003","12.3618","0.0004","90","","90","","90","","917.85","0.05","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- O11 P Rb V2 -","- O11 P Rb V2 -","- O44 P4 Rb4 V8 -","4","1","","Gautier, R.; Auguste, S.; Clevers, S.; Dupray, V.; Coquerel, G.; Le Fur, E.","Influence of the cation size on the second harmonic generation response of chiral A(VO2)2(PO4)·3H2O (A = K+, NH4+and Rb+)","CrystEngComm","2014","16","47","10902","","10.1039/C4CE01847H","","x-ray","0.71069","MoKα","","0.0537","0.0386","","","0.0702","0.0748","","","","","","1.161","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218405","7.1203","0.0001","10.1782","0.0002","12.3477","0.0003","90","","90","","90","","894.86","0.03","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- K O11 P V2 -","- K O11 P V2 -","- K4 O44 P4 V8 -","4","1","","Gautier, R.; Auguste, S.; Clevers, S.; Dupray, V.; Coquerel, G.; Le Fur, E.","Influence of the cation size on the second harmonic generation response of chiral A(VO2)2(PO4)·3H2O (A = K+, NH4+and Rb+)","CrystEngComm","2014","16","47","10902","","10.1039/C4CE01847H","","x-ray","0.71069","MoKα","","0.0292","0.0263","","","0.0679","0.0687","","","","","","1.217","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218474","8.0352","0.0002","16.1215","0.0003","20.0537","0.0004","90","","90","","90","","2597.75","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R,2R)-1,2-diphenyl-1,2-bis (2,3,5,6-tetrafluoro-4-iodophenoxy)ethane","","- C26 H12 F8 I2 O2 -","- C26 H12 F8 I2 O2 -","- C104 H48 F32 I8 O8 -","4","1","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0549","0.0475","","","0.1216","0.1269","","","","","","1.069","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218478","12.0074","0.001","15.2998","0.0013","41.115","0.003","90","","90","","90","","7553.3","1.1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","6,6'-(((2R,3R)-butane-2,3-diyl)bis(oxy)) bis(1,2,4,5-tetrafluoro-3-iodobenzene), tetrabutylammonium bromide","","- C32 H44 Br F8 I2 N O2 -","- C32 H44 Br F8 I2 N O2 -","- C256 H352 Br8 F64 I16 N8 O16 -","8","2","","Lieffrig, Julien; Niassy, Arnode G.; Jeannin, Olivier; Fourmigué, Marc","Halogen-bonded halide networks from chiral neutral spacers","CrystEngComm","2015","17","1","50","","10.1039/C4CE01935K","","","0.71073","MoKα","","0.0995","0.0823","","","0.1761","0.1856","","","","","","1.172","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218494","5.3218","0.0002","13.302","0.0005","21.728","0.0007","90","","90","","90","","1538.14","0.1","294","2","294","2","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","name","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Trajkovic, Milos; Balanac, Vesna; Ferjancic, Zorana; Saicic, Radomir Nikola","Total synthesis of (+)-swainsonine and (+)-epi-swainsonine","RSC Adv.","2014","","","","","10.1039/C4RA11978A","","x-ray","0.71073","MoKα","","0.0385","0.0355","","","0.0828","0.0846","","","","","","1.123","","","","has coordinates","180515","2020-10-21","18:00:00",""
"7218515","5.856","0.0004","15.3344","0.0011","22.623","0.0016","90","","90","","90","","2031.5","0.2","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O2 -","- C26 H27 N O2 -","- C104 H108 N4 O8 -","4","1","","Sousa, Carlos Alberto; Maestro, Miguel Ángel; Garcia-Mera, Xerardo; Rodriguez-Borges, José Enrique","Endo-benzonorbornen-2-ol as an efficient non-natural chiral auxiliary in the asymmetric aza-Diels‒Alder reactions between cyclopentadiene and (1-phenylethyl)iminoacetates","RSC Adv.","2014","","","","","10.1039/C4RA11143E","","","0.71073","MoKα","","0.0732","0.0402","","","0.0894","0.1082","","","","","","1.063","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218531","6.5259","0.0003","13.1402","0.0005","15.6863","0.0007","90","","90","","90","","1345.13","0.1","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Wu, Zu-Yan; Wu, Yang; Chen, Guo-Dong; Hu, Dan; Li, Xiao-Xia; Sun, Xiang; Guo, Liang-Dong; Li, Yan; Yao, Xin-Sheng; Gao, Hao","Xylariterpenoids A‒D, four new sesquiterpenoids from the Xylariaceae fungus","RSC Adv.","2014","","","","","10.1039/C4RA10365C","","","1.54184","CuKα","","0.0426","0.0363","","","0.0853","0.0909","","","","","","1.079","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218538","15.2734","0.0012","15.273","","23.031","0.002","90","","90","","90","","5372.5","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Trimer 5","","- C25.13 H25.88 N3 Na O11 -","- C25.1195 H25.8805 N3 Na O11 -","- C200.956 H207.044 N24 Na8 O88 -","8","2","","Liu, Jiaqiang; Sun, Chang; Ma, Wenliang; Lu, Yu-Jing; Yu, Lin; Zhang, Kun; Zeng, Huaqiang","A Conformationally Switchable Fluorescent Oligophenol Foldamer for Selective Sensing of Copper(II) Ions","RSC Adv.","2014","","","","","10.1039/C4RA11706A","","","0.71073","MoKα","","0.1212","0.0818","","","0.1553","0.1703","","","","","","1.122","","","","has coordinates,has disorder","180516","2020-10-21","18:00:00",""
"7218553","7.5729","0.0013","9.0487","0.0016","22.692","0.004","90","","90","","90","","1555","0.5","293","","293","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 O3 S2 -","- C16 H15 N3 O3 S -","- C64 H60 N12 O12 S4 -","4","1","","Girish, Yarabally R.; Sharath kumar, Kothanahally S; Muddegowda, Umashankar; Lokanath, Neartur Krishnappagowda; Rangappa, Kanchugarakoppal S.; shashikanth, seena","ZrO2 -supported Cu (ll) - β-cyclodextrin complex: Construction of 2, 4, 5-trisubstituted -1, 2, 3-triazoles via Azide-chalcone oxidative Cycloaddition and Post-Triazole Alkylation","RSC Adv.","2014","","","","","10.1039/C4RA09970B","","x-ray","1.54178","CuKα","","0.0912","0.0812","","","0.2221","0.2649","","","","","","1.311","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218558","8.8269","0.0019","9.289","0.002","20.716","0.004","90","","90","","90","","1698.6","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Cl2 N3 Pd Se -","- C16 H15 Cl2 N3 Pd Se -","- C64 H60 Cl8 N12 Pd4 Se4 -","4","1","","Singh, Ajai kumar; Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Kumar, Satyendra; Singh, Mahabir Pratap","Palladium(II) complexes bearing 1,2,3-triazole based organosulfur/ selenium ligand: synthesis, structure and applications in Heck and Suzuki-Miyaura coupling as catalyst via palladium nanoparticles","RSC Adv.","2014","","","","","10.1039/C4RA09574J","","","0.71073","MoKα","","0.0389","0.0355","","","0.0782","0.0794","","","","","","1.147","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7218579","5.1346","0.0002","15.012","0.0004","26.4598","0.0007","90","","90","","90","","2039.54","0.11","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Saikia, Anil; Unnava, Ramanjaneyulu; Indukuri, Kiran; Sarkar, Sujit","Regioselective one-pot, three-component synthesis of substituted 2H-indazoles from nitroarylaldehyde, alkyne and amine catalyzed by CuBr/Zn(OTf)2 system","RSC Adv.","2014","","","","","10.1039/C4RA10093J","","","0.71073","MoKα","","0.0378","0.0345","","","0.0899","0.0932","","","","","","0.747","","","","has coordinates","180516","2020-10-21","18:00:00",""
"7218594","10.2877","0.0005","10.7888","0.0005","16.6377","0.0007","90","","90","","90","","1846.65","0.15","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Dy4 H10 O23 S4 -","- Dy4 H4 O23 S4 -","- Dy16 H16 O92 S16 -","4","1","","Yao, Ru-Xin; Xu, Xia; Zhang, Xian-Ming","Ferromagnetically coupled chiral dysprosium hydroxysulfate and centrosymmetric dysprosium hydroxysulfate-oxalate: Dy4(OH)4cubane based high-connected networks via in situ conversion of organosulfur to sulfate","RSC Adv.","2014","4","96","53954","","10.1039/C4RA07436J","","","0.71073","MoKα","","0.0189","0.0186","","","0.0521","0.0523","","","","","","0.92","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218620","9.88","","10.507","","20.929","","90","","90","","90","","2172.62","","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 B O2 P -","- C22 H38 B O2 P -","- C88 H152 B4 O8 P4 -","4","1","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.0359","0.0327","","","0.0874","0.0892","","","","","","1.072","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218624","14.456","0.003","15.0089","0.0018","28.28","0.004","90","","90","","90","","6135.9","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 B O2 P -","- C22 H26 B O2 P -","- C264 H312 B12 O24 P12 -","12","3","","Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna","Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles","RSC Adv.","2014","","","","","10.1039/C4RA10432C","","","0.71073","MoKα","","0.1022","0.0514","","","0.1031","0.1278","","","","","","1.007","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218640","10.3728","0.0008","13.1268","0.001","16.7553","0.0011","90","","90","","90","","2281.4","0.3","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H27 B9 Co O2 S2 -","- C14 H27 B9 Co O2 S2 -","- C56 H108 B36 Co4 O8 S8 -","4","1","","Zhong, Wei; Xie, Mingshi; Li, Yizhi; Yan, Hong","Investigation into the reactivity of 16-electron complexes Cp#Co(S2C2B10H10) (Cp# = Cp, Cp*) towards methyl diazoacetate and toluenesulphonyl azide","RSC Adv.","2014","","","","","10.1039/C4RA13017K","","","0.71073","MoKα","","0.0686","0.0564","","","0.1121","0.1153","","","","","","1.085","","","","has coordinates,has disorder","180517","2020-10-21","18:00:00",""
"7218653","23.961","0.005","23.211","0.005","6.8908","0.0016","90","","90","","90","","3832.4","1.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20.5 H15 F3 N O4.5 S -","- C20.5 H15 F3 N O4.5 S -","- C164 H120 F24 N8 O36 S8 -","8","2","","Anamimoghadam, Ommid; Long, De-Liang; Bucher, Götz","9-Iodophenalenone and 9-trifluoromethanesulfonyloxyphenalenone: convenient entry points to new phenalenones functionalised at the 9-position. Iodine-carbonyl interaction studies by X-ray crystallography","RSC Adv.","2014","4","100","56654","","10.1039/C4RA00178H","","","0.71073","MoKα","","0.2125","0.0736","","","0.1198","0.1668","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7218679","10.6171","0.0003","11.0858","0.0003","14.9945","0.0003","90","","90","","90","","1764.84","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","()-trans-NSD-09-184-F1","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C80 H100 N4 O12 -","4","1","","Dange, Nitin S.; HONG, BOR-CHERNG; Lee, Gene-Hsiang","One-pot Biomimetic Total Synthesis of Yuehchukene via the Organocatalytic Alkylation-cyclization Process of a Sterically Encumbered α-Alkyl Enal","RSC Adv.","2014","","","","","10.1039/C4RA10222C","","","0.71073","MoKα","","0.1141","0.0432","","","0.093","0.1123","","","","","","0.882","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218682","8.9691","0.0001","15.3233","0.0002","16.3516","0.0002","90","","90","","90","","2247.3","0.05","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H35 Cl3 Co N7 O5 -","- C14 H35 Cl3 Co N7 O5 -","- C56 H140 Cl12 Co4 N28 O20 -","4","1","","Ling, Irene; Sobolev, Alexandre N.; Hashim, Rauzah; Harrowfield, Jack M.","Stereochemistry of cage amine complexes ‒ probing the ligand conformational flexibility with hydrogen bonds","CrystEngComm","2014","16","48","11058","","10.1039/C4CE01980F","","","0.71073","MoKα","","0.0345","0.0326","","","0.0872","0.0884","","","","","","1.005","","","","has coordinates","180517","2020-10-21","18:00:00",""
"7218820","7.12371","0.0001","11.92092","0.00016","38.3027","0.0006","90","","90","","90","","3252.71","0.08","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 N2 O6 -","- C38 H42 N2 O6 -","- C152 H168 N8 O24 -","4","1","","Zhou, Zhengzheng; Tong, Henry H. Y.; Li, Liang; Shek, Fanny L. Y.; Lv, Yang; Zheng, Ying","Synthesis, crystal structures and phase transformation of the new solid-state forms of tetrandrine","RSC Adv.","2014","4","107","62586","","10.1039/C4RA10457A","","","1.54178","CuKα","","0.0358","0.0323","","","0.0773","0.0797","","","","","","1.081","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218821","9.70383","0.0001","15.06419","0.00015","26.1648","0.0003","90","","90","","90","","3824.78","0.07","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 N4 O6 -","- C42 H48 N4 O6 -","- C168 H192 N16 O24 -","4","1","","Zhou, Zhengzheng; Tong, Henry H. Y.; Li, Liang; Shek, Fanny L. Y.; Lv, Yang; Zheng, Ying","Synthesis, crystal structures and phase transformation of the new solid-state forms of tetrandrine","RSC Adv.","2014","4","107","62586","","10.1039/C4RA10457A","","","1.54178","CuKα","","0.0358","0.0333","","","0.0844","0.0868","","","","","","1.048","","","","has coordinates","180519","2020-10-21","18:00:00",""
"7218901","4.8978","0.0014","13.654","0.005","14.129","0.005","90","","90","","90","","944.9","0.6","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 O2 -","- C13 H8 O2 -","- C52 H32 O8 -","4","1","","Jiang, Neng; Li, Su-Yi; Xie, Sai-Sai; Yao, Hequan; Sun, Hongbin; Wang, Xiao-Bing; Kong, Ling-Yi","FeCl3and ether mediated direct intramolecular acylation of esters and their application in efficient preparation of xanthone and chromone derivatives","RSC Adv.","2014","4","109","63632","","10.1039/C4RA10174J","","","1.54184","CuKα","","0.1625","0.11","","","0.1685","0.19","","","","","","1.002","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218940","9.4749","0.0003","11.6421","0.0003","17.1244","0.0005","90","","90","","90","","1888.95","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O6 -","- C22 H28 O6 -","- C88 H112 O24 -","4","1","","Wang, Wei-Guang; Tang, Jian-Wei; Shi, Yi-Ming; Du, Xue; Li, Xiao-Nian; Wu, Hai-Yan; Jiang, Hua-Yi; Li, Yan; Pu, Jian-Xin; Sun, Han-Dong","Laxiflorol A, the first example of 7,8:15,16-di-seco-15-nor-21-homo-ent-kauranoid from Isodon eriocalyx var. laxiflora","RSC Adv.","2014","","","","","10.1039/C4RA12704H","","","1.54178","CuKα","","0.0354","0.0354","","","0.0987","0.0988","","","","","","1.126","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218942","4.6051","0.001","13.887","0.003","33.216","0.007","90","","90","","90","","2124.2","0.8","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N6 O4 -","- C24 H20 N6 O4 -","- C96 H80 N24 O16 -","4","1","","Ma, Yong; Gu, Pei-Yang; Zhou, feng; Dong, Huilong; Li, Youyong; Xu, Qingfeng; Lu, Jian-Mei; Ma, Wanli","Different interaction between metal electrode and organic layer and their different electrical bistability performances","RSC Adv.","2014","","","","","10.1039/C4RA12893A","","","0.71075","MoKα","","0.0991","0.0681","","","0.1336","0.149","","","","","","1.102","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218955","9.6069","0.0001","10.2192","0.0001","17.6653","0.0002","90","","90","","90","","1734.29","0.03","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 -","- C19 H26 O6 -","- C76 H104 O24 -","4","1","","Shen, Yunheng; He, Yi-Ren; Shan, Lei; Yang, Xi; Wen, Bo; Ye, Ji; Yuan, Xing; Li, Hui-Liang; Xu, Xi-ke; Zhang, Weidong","Lanceolatins A-G, diterpenoids from Cephalotaxus lanceolata and their anti-inflammatory and anti-tumor activities","RSC Adv.","2014","","","","","10.1039/C4RA10665B","","","1.54178","CuKα","","0.0327","0.0323","","","0.0862","0.0866","","","","","","1.042","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7218965","8.7072","0.0002","16.5203","0.0004","17.3249","0.0004","90","","90","","90","","2492.11","0.1","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 O7 -","- C28 H36 O7 -","- C112 H144 O28 -","4","1","","Zhang, Xufeng; Ren, Jie; Cheng, Xiangrong; Jin, Huizi; Zhang, Weidong","One new unusual sesterterpenoid and four new sesquiterpene dimers from Inula britannica","RSC Adv.","2014","","","","","10.1039/C4RA11171K","","","1.54178","CuKα","","0.0456","0.0442","","","0.1292","0.1305","","","","","","1.075","","","","has coordinates","180520","2020-10-21","18:00:00",""
"7219012","8.3415","0.0003","9.3745","0.0004","13.544","0.0005","90","","90","","90","","1059.11","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 Co N Na O6 -","- C7 H11 Co N Na O6 -","- C28 H44 Co4 N4 Na4 O24 -","4","1","","Li, Qipeng; Jiang, Xiang; Du, Shaowu","Solvent-dependent assemblies, structure diversities and magnetic properties of two homochiral Co(ii)/Na(i) coordination polymers","RSC Adv.","2014","5","3","1785","","10.1039/C4RA09263E","","","0.71073","MoKα","","0.0289","0.028","","","0.0837","0.0844","","","","","","1.098","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219013","7.0082","0.0005","12.1505","0.0007","13.9281","0.0011","90","","90","","90","","1186.02","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 Co N Na O7 -","- C7 H14 Co N Na O7 -","- C28 H56 Co4 N4 Na4 O28 -","4","1","","Li, Qipeng; Jiang, Xiang; Du, Shaowu","Solvent-dependent assemblies, structure diversities and magnetic properties of two homochiral Co(ii)/Na(i) coordination polymers","RSC Adv.","2014","5","3","1785","","10.1039/C4RA09263E","","","0.71073","MoKα","","0.0315","0.031","","","0.0849","0.0853","","","","","","1.097","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219014","8.2731","0.0004","10.7452","0.0005","20.7803","0.001","90","","90","","90","","1847.29","0.15","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O S3 -","- C17 H20 N2 O S3 -","- C68 H80 N8 O4 S12 -","4","1","","Dai, Yanling; Xie, Chen; Wu, Lingmin; Mei, Haibo; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric synthesis of fluorinated amino-benzothiazol derivatives by additions of 2-lithiated benzothiazoles to (S)-N-t-butylsulfinyl-ketimines","RSC Adv.","2014","","","","","10.1039/C4RA15405C","","","0.71073","MoKα","","0.0325","0.0277","","","0.0821","0.0861","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219030","11.7035","0.0007","12.7664","0.0009","21.1157","0.0014","90","","90","","90","","3154.9","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H44 O11 -","- C31 H44 O11 -","- C124 H176 O44 -","4","1","","Li, Lingzhi; Song, shao-jiang; gao, pinyi; Li, Feifei; Wang, Lihui; liu, Qingbo; Huang, Xiaoxiao; Li, Danqi; Sun, Yu","Neogenkwanines A‒H: Daphnane-Type Diterpenes Containing 4,7 or 4,6-Ether Group from the Flower Bud of Daphne genkwa","RSC Adv.","2014","","","","","10.1039/C4RA13167C","","","1.54178","CuKα","","0.0448","0.0429","","","0.1158","0.1181","","","","","","1.03","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219063","10.3477","0.0002","15.2561","0.0002","18.035","0.0003","90","","90","","90","","2847.11","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 O6 -","- C31 H40 O6 -","- C124 H160 O24 -","4","1","","Li, Dongyan; Xue, Yongbo; Zhu, Hucheng; Li, Yan; Sun, Bin; Liu, Junjun; Yao, Guangmin; Zhang, Jinwen; Du, Guang; Zhang, Yonghui","Hyperattenins A‒I, Bioactive Polyprenylated Acylphloroglucinols from Hypericum attenuatum Choisy","RSC Adv.","2014","","","","","10.1039/C4RA11675E","","","1.54178","CuKα","","0.0422","0.041","","","0.1247","0.1265","","","","","","1.059","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219080","8.5312","0.0002","11.5963","0.0002","24.0459","0.0005","90","","90","","90","","2378.87","0.09","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 O2 -","- C28 H42 O2 -","- C112 H168 O8 -","4","1","","Han, Zhu-zhen; Ye, Ji; Liu, Qing-Xin; Shen, Yunheng; yue, rongcai; Li, Hui-Liang; Zhang, Weidong","Valeriadimers A-C, three sesquiterpenoid dimers from Valeriana officinalis var. latifolia","RSC Adv.","2014","","","","","10.1039/C4RA11439F","","","1.54178","CuKα","","0.0353","0.035","","","0.1078","0.1085","","","","","","1.086","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219081","9.0356","0.0002","14.7212","0.0004","20.2608","0.0005","90","","90","","90","","2694.99","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O6 -","- C30 H48 O6 -","- C120 H192 O24 -","4","1","","Han, Zhu-zhen; Ye, Ji; Liu, Qing-Xin; Shen, Yunheng; yue, rongcai; Li, Hui-Liang; Zhang, Weidong","Valeriadimers A-C, three sesquiterpenoid dimers from Valeriana officinalis var. latifolia","RSC Adv.","2014","","","","","10.1039/C4RA11439F","","","1.54178","CuKα","","0.027","0.0265","","","0.0711","0.0715","","","","","","1.027","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219096","6.8141","0.0005","7.9189","0.0008","8.5887","0.0006","90","","90","","90","","463.45","0.07","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0406","0.033","","","0.0751","0.0777","","","","","","1.049","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219097","6.797","0.0005","7.9162","0.0008","8.5951","0.0006","90","","90","","90","","462.47","0.07","275","2","275","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0414","0.0341","","","0.0747","0.0769","","","","","","1.085","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219098","6.7737","0.0005","7.917","0.0008","8.5989","0.0005","90","","90","","90","","461.14","0.06","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0389","0.0314","","","0.0701","0.0725","","","","","","1.096","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219099","6.7518","0.0004","7.9135","0.0007","8.6022","0.0005","90","","90","","90","","459.62","0.06","225","2","225","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.035","0.029","","","0.0636","0.0649","","","","","","1.066","","","","has coordinates","180521","2020-10-21","18:00:00",""
"7219100","6.7285","0.0004","7.9107","0.0007","8.6056","0.0005","90","","90","","90","","458.05","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0342","0.0291","","","0.0672","0.0687","","","","","","1.036","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219101","6.7099","0.0004","7.909","0.0007","8.6098","0.0005","90","","90","","90","","456.91","0.06","175","2","175","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0308","0.0265","","","0.0617","0.0628","","","","","","1.074","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219102","6.6925","0.0004","7.9071","0.0007","8.6136","0.0005","90","","90","","90","","455.82","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0293","0.0254","","","0.0633","0.0646","","","","","","1.038","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219103","6.6768","0.0004","7.9039","0.0007","8.6154","0.0005","90","","90","","90","","454.66","0.06","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0291","0.026","","","0.0605","0.0612","","","","","","1.076","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219104","6.6605","0.0004","7.9","0.0007","8.617","0.0005","90","","90","","90","","453.41","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylglycine","2-(Methylamino)acetic acid","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V.","Sarcosine and betaine crystals upon cooling: structural motifs unstable at high pressure become stable at low temperatures.","Physical chemistry chemical physics : PCCP","2015","17","5","3534","3543","10.1039/c4cp05094k","","","0.71073","MoKα","","0.0284","0.0252","","","0.0591","0.0601","","","","","","1.093","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219114","5.642","0.0004","8.1176","0.0006","23.6684","0.0017","90","","90","","90","","1084","0.14","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 S2 -","- C12 H10 S2 -","- C48 H40 S8 -","4","1","","Das, Paramita; Ray, Suman; Bhaumik, Asim; Banerjee, Biplab; Mukhopadhyay, Chhanda","Cubic Ag2O nanoparticles incorporated mesoporous silica with large bottle-neck like mesopore for the aerobic oxidative synthesis of disulfide","RSC Adv.","2014","","","","","10.1039/C4RA14802A","","","0.71073","MoKα","","0.0373","0.0313","","","0.0954","0.1022","","","","","","0.799","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219128","26.56","0.011","7.8526","0.0034","6.5921","0.0028","90","","90","","90","","1374.9","1","293","","293","","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","cocrystal (II) of 4-iodophenylboronic acid with L-proline (1:1)","","","- C11 H15 B I N O4 -","- C11 H15 B I N O4 -","- C44 H60 B4 I4 N4 O16 -","4","1","","Hernández-Paredes, Javier; Olvera-Tapia, Ana L.; Arenas-García, Jenniffer I.; Höpfl, Herbert; Morales-Rojas, Hugo; Herrera-Ruiz, Dea; Gonzaga-Morales, Ana I.; Rodríguez-Fragoso, Lourdes","On molecular complexes derived from amino acids and nicotinamides in combination with boronic acids","CrystEngComm","2015","17","28","5166","","10.1039/C4CE01934B","powder diffraction","","1.5406","CuKα~1~","","","","","","","","0.06323","","2.09","","","","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219185","11.477","0.0011","17.835","0.0016","17.835","0.0016","90","","90","","90","","3650.7","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 Co2 N10 O14 V4 -","- C20 H34 Co2 N10 O14 V4 -","- C80 H136 Co8 N40 O56 V16 -","4","1","","Wu, Shujun; Yang, Xinhang; Hu, Jufang; Ma, Hongwei; Lin, Zhengguo; Hu, Changwen","Synthesis, structure and characterization of three different dimension inorganic‒organic hybrid vanadates: [Co2(mIM)5(H2O)2]V4O12, [Ni2(mIM)7(H2O)]V4O12·H2O and [Cd(eIM)2(H2O)]V2O6","CrystEngComm","2015","17","7","1625","","10.1039/C4CE02335H","","","0.71073","MoKα","","0.1628","0.0843","","","0.1929","0.2213","","","","","","1.054","","","","has coordinates","180522","2020-10-21","18:00:00",""
"7219228","8.4783","0.0014","13.296","0.002","15.679","0.003","90","","90","","90","","1767.5","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Das, Asish R.; Pradhan, Koyel; Paul, Sanjay","Synthesis of indeno and acenaphtho core containing dihydroxy indolone, pyrrole, coumarin and uracil fused heterocyclic motifs under sustainable condition exploring the catalytic role of SnO2 quantum dot","RSC Adv.","2015","","","","","10.1039/C4RA12618A","","","0.71073","MoKα","","0.0457","0.0384","","","0.1114","0.1208","","","","","","0.784","","","","has coordinates","180523","2020-10-21","18:00:00",""
"7219292","10.0792","0.0007","13.0655","0.0009","13.5796","0.0009","90","","90","","90","","1788.3","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H104 Br5 Cl11 Co4 N8 -","- C48 H104 Br5 Cl11 Co4 N8 -","- C48 H104 Br5 Cl11 Co4 N8 -","1","0.25","","chen, lizhuang; Huang, Deng-Deng; Pan, Qi-Jian; Ge, Jia-Zhen","Novel pure Pnma-P212121 ferroelastic phase transition of 1,4-diisopropyl-1,4-diazonia-bicyclo[2.2.2]octane tetra-chlorobromo-M(II) (M=Mn and Co)","RSC Adv.","2015","","","","","10.1039/C4RA12690D","","","0.71073","MoKα","","0.0417","0.0402","","","0.1076","0.1119","","","","","","1.074","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219295","10.1863","0.0008","13.1566","0.0011","13.6378","0.0011","90","","90","","90","","1827.7","0.3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H26 Br Cl3 Mn N2 -","- C12 H26 Br Cl3 Mn N2 -","- C48 H104 Br4 Cl12 Mn4 N8 -","4","1","","chen, lizhuang; Huang, Deng-Deng; Pan, Qi-Jian; Ge, Jia-Zhen","Novel pure Pnma-P212121 ferroelastic phase transition of 1,4-diisopropyl-1,4-diazonia-bicyclo[2.2.2]octane tetra-chlorobromo-M(II) (M=Mn and Co)","RSC Adv.","2015","","","","","10.1039/C4RA12690D","","","0.71073","MoKα","","0.033","0.0314","","","0.1068","0.1118","","","","","","0.985","","","","has coordinates,has disorder","180523","2020-10-21","18:00:00",""
"7219340","5.9244","0.0007","13.4171","0.0016","29.058","0.004","90","","90","","90","","2309.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C100 H108 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Kitamura, Sayaka; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Tunability of guest release properties and crystal structures in a supramolecular benzothiophene heterocyclic host complex","CrystEngComm","2015","17","16","3064","","10.1039/C4CE02496F","","","0.71073","MoKα","","0.1012","0.0882","","","0.2018","0.2097","","","","","","1.117","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219392","14.9775","0.0002","21.8439","0.0002","22.3074","0.0003","90","","90","","90","","7298.25","0.15","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H58 Cl N12 Ni2 O25 Ta -","- C66 H58 Cl N12 Ni2 O25 Ta -","- C264 H232 Cl4 N48 Ni8 O100 Ta4 -","4","1","","Dubraja, Lidija Androš; Matković-Čalogović, Dubravka; Planinić, Pavica","Crystal disassembly and reassembly of heterometallic NiII‒TaVoxalate compounds","CrystEngComm","2015","17","9","2021","","10.1039/C4CE02516D","","","0.71073","MoKα","","0.047","0.036","","","0.0774","0.0793","","","","","","0.965","","","","has coordinates","180524","2020-10-21","18:00:00",""
"7219435","7.2652","0.0006","8.0985","0.0007","35.69","0.003","90","","90","","90","","2099.9","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O S2 -","- C25 H22 N2 O S2 -","- C100 H88 N8 O4 S8 -","4","1","","Wei, Ruo-Hong; Chen, Jun-Feng; Feng, Jia-Qi; Hu, Jiong-Sheng; Cao, Deng-Ke","Two heteroleptic Ir(iii)‒bisthienylethene compounds: syntheses, structures and aggregation-induced luminescence","RSC Adv.","2015","5","19","14359","","10.1039/C4RA15977B","","","0.71073","MoKα","","0.0427","0.0393","","","0.1115","0.1139","","","","","","1.059","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219472","3.97105","0.00006","8.1277","0.00014","16.0709","0.0003","90","","90","","90","","518.696","0.015","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2-cyanopyrimidine","2-cyanopyrimidine","","- C5 H3 N3 -","- C5 H3 N3 -","- C20 H12 N12 -","4","1","","Safin, Damir A.; Tumanov, Nikolay A.; Leitch, Alicea A.; Brusso, Jaclyn L.; Filinchuk, Yaroslav; Murugesu, Muralee","Elucidating the elusive crystal structure of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine","CrystEngComm","2015","17","10","2190","","10.1039/C5CE00097A","powder diffraction","","0.68884","synchrotron","","","","","","","","","11.1463","29.33","","","","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219487","7.5653","0.0002","10.7212","0.0004","16.523","0.0006","90","","90","","90","","1340.17","0.08","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C60 H96 O8 -","4","1","","Ge, Hui Ming; Tan, R.-X.; Chen, Chao Jun; Liu, Xian Xian; Zang, Le Yun; Wang, Gang; Weng, Ng Seik; Zhang, Wen JING","Sesquiterpenoids Isolated from an Endophyte Fungus Diaporthe sp.","RSC Adv.","2015","","","","","10.1039/C4RA13136C","","","1.54178","CuKα","","0.0516","0.0425","","","0.1206","0.145","","","","","","1.216","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219488","7.3041","0.0002","11.6752","0.0003","15.6101","0.0004","90","","90","","90","","1331.18","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Ge, Hui Ming; Tan, R.-X.; Chen, Chao Jun; Liu, Xian Xian; Zang, Le Yun; Wang, Gang; Weng, Ng Seik; Zhang, Wen JING","Sesquiterpenoids Isolated from an Endophyte Fungus Diaporthe sp.","RSC Adv.","2015","","","","","10.1039/C4RA13136C","","","1.54178","CuKα","","0.0503","0.0381","","","0.0854","0.0981","","","","","","0.961","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219489","8.064","0.001","11.542","0.001","14.904","0.001","90","","90","","90","","1387.2","0.2","295","","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Ge, Hui Ming; Tan, R.-X.; Chen, Chao Jun; Liu, Xian Xian; Zang, Le Yun; Wang, Gang; Weng, Ng Seik; Zhang, Wen JING","Sesquiterpenoids Isolated from an Endophyte Fungus Diaporthe sp.","RSC Adv.","2015","","","","","10.1039/C4RA13136C","","","1.54178","CuKα","","0.0363","0.0348","","","0.105","0.1067","","","","","","1.054","","","","has coordinates","180525","2020-10-21","18:00:00",""
"7219497","7.48732","0.00015","9.95589","0.00019","33.0328","0.0008","90","","90","","90","","2462.36","0.09","100","2","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 F6 N2 O2 -","- C27 H30 F6 N2 O2 -","- C108 H120 F24 N8 O8 -","4","1","","Łaszcz, M.; Trzcińska, K.; Witkowska, A.; Lipiec-Abramska, E.; Szczepek, W. J.","Phase transition studies of dutasteride crystalline forms","CrystEngComm","2015","17","11","2346","","10.1039/C5CE00036J","","","1.54184","CuKα","","0.0465","0.0367","","","0.0824","0.0869","","","","","","1.04","","","","has coordinates,has disorder","180525","2020-10-21","18:00:00",""
"7219512","5.323","0.0012","17.152","0.002","19.884","0.002","90","","90","","90","","1815.4","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lamivudine R-mandelate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one R-mandelate","","- C16 H19 N3 O6 S -","- C16 H19 N3 O6 S -","- C64 H76 N12 O24 S4 -","4","1","","da Silva, Cameron Capeletti; Martins, Felipe T.","The Enantiopreference in the Solid State Probed in Lamivudine Crystal Forms with Mandelic Acid","RSC Adv.","2015","","","","","10.1039/C5RA01398D","","","0.71073","MoKα","","0.0977","0.0588","","","0.1564","0.1883","","","","","","1.054","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219573","5.93925","0.00012","12.1816","0.0002","12.4709","0.0003","90","","90","","90","","902.26","0.03","99.98","0.1","99.98","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H12 N2 S3 Sn -","- C2 H12 N2 S3 Sn -","- C8 H48 N8 S12 Sn4 -","4","1","","Nørby, Peter; Eikeland, Espen; Overgaard, Jacob; Johnsen, Simon; Iversen, Bo B.","Expanding the structural versatility of thiostannate(iv) complexes","CrystEngComm","2015","17","11","2413","","10.1039/C4CE02224F","","","0.71073","MoKα","","0.0326","0.0316","","","0.0739","0.0747","","","","","","1.242","","","","has coordinates,has disorder","180526","2020-10-21","18:00:00",""
"7219582","7.6844","0.0003","16.3169","0.0006","22.267","0.0007","90","","90","","90","","2791.96","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-3-(2-(4-Nitrophenyl)-2-oxoethylidene)-1-(2,3,4-tri-<i>O</i>-acetyl-β-L-rhamno-pyranosyl)indolin-2-one","","- C28 H26 N2 O11 -","- C28 H26 N2 O11 -","- C112 H104 N8 O44 -","4","1","","Kleeblatt, Dennis; Becker, Martin; Ploetz, Michael; Schönherr, Madeleine; Villinger, Alexander; Hein, Martin; Eberle, Jürgen; Kunz, Manfred; Rahman, Qamar; Langer, Peter","Synthesis and Bioactivity of N-glycosylated 3-(2-Oxo-2- arylethylidene)-indolin-2-ones","RSC Adv.","2015","","","","","10.1039/C4RA14301A","","","0.71073","MoKα","","0.0801","0.0457","","","0.0982","0.1084","","","","","","1.016","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219584","6.392","0.0004","8.4041","0.0005","20.1646","0.0012","90","","90","","90","","1083.22","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Liu, Defu; Mao, Jincheng; Rong, Guangwei; Yan, Hong; Zheng, Yang; Chen, Jie","Concise synthesis of semicarbazides and formylhydrazines via direct addition reaction between aromatic azoarenes and N-substituted formamides","RSC Adv.","2015","5","25","19301","","10.1039/C4RA17015F","","","0.71073","MoKα","","0.1075","0.0887","","","0.2151","0.2427","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219595","7.6305","0.0002","15.1575","0.0003","22.3524","0.0005","90","","90","","90","","2585.26","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Cl2 N4 Pd -","- C28 H28 Cl2 N4 Pd -","- C112 H112 Cl8 N16 Pd4 -","4","1","","Sankararaman, Sethuraman; V, Ramkumar; Dasgupta, Ayan","Catalytic asymmetric hydrogenation using [2.2]paracyclophane based chiral 1,2,3-triazol-5-ylidene-Pd complex under ambient conditions and 1 atmosphere of H2","RSC Adv.","2015","","","","","10.1039/C5RA03021H","","","0.71073","MoKα","","0.0194","0.0182","","","0.0428","0.0435","","","","","","1.059","","","","has coordinates","180526","2020-10-21","18:00:00",""
"7219622","5.1179","0.0008","12.2079","0.0018","12.7508","0.0019","90","","90","","90","","796.7","0.2","100","2","100","2","","","","","","","synthetic","4","P 21 21 21","P 2ac 2ab","19","Carglumic Acid","N-Carbamoyl-L-Glutamic Acid","","- C6 H10 N2 O5 -","- C6 H10 N2 O5 -","- C24 H40 N8 O20 -","4","1","","Maddileti, D.; Nangia, Ashwini","Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid","CrystEngComm","2015","17","28","5252","","10.1039/C5CE00116A","","","0.71073","MoKα","","0.0273","0.0264","","","0.0628","0.0634","","","","","","1.09","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219626","6.424","0.0013","10.255","0.002","27.064","0.005","90","","90","","90","","1782.9","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O5 S -","- C16 H21 N O5 S -","- C64 H84 N4 O20 S4 -","4","1","","Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang","Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid","RSC Adv.","2015","","","","","10.1039/C4RA15284K","","","0.71073","MoKα","","0.1001","0.0728","","","0.1937","0.2238","","","","","","1.095","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219630","9.809","0.003","10.419","0.003","16.505","0.005","90","","90","","90","","1686.8","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O10 -","- C15 H19 N O10 -","- C60 H76 N4 O40 -","4","1","","Kulkarni, Suvarn S.; Sanapala, Someswara Rao","One-pot Synthesis of Bicyclic Sugar Oxazolidinone from D-Glucosamine","RSC Adv.","2015","","","","","10.1039/C5RA02270C","","","0.71075","MoKα","","0.0415","0.0386","","","0.1125","0.1216","","","","","","0.738","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219668","9.0332","0.0018","10.971","0.002","17.316","0.003","90","","90","","90","","1716.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N2 O4 S -","- C18 H18 N2 O4 S -","- C72 H72 N8 O16 S4 -","4","1","","Yang, Dong; Mao, Shuai; Gao, Ya-Ru; Guo, Dong-Dong; Guo, Shi-Huan; Li, Bin; Wang, Yong-Qiang","Palladium-Catalyzed C-7 Alkenylation of Indolines Using Molecular Oxygen as the Sole Oxidant","RSC Adv.","2015","","","","","10.1039/C5RA02245B","","","0.71073","MoKα","","0.0343","0.031","","","0.0736","0.0755","","","","","","1.027","","","","has coordinates","180527","2020-10-21","18:00:00",""
"7219720","4.02223","0.00007","9.29376","0.00017","25.296","0.0005","90","","90","","90","","945.61","0.03","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(btt)ICl]","[(2(3)H-benzothiazole-thione)ICl]","","- C7 H5 Cl I N S2 -","- C7 H5 Cl I N S2 -","- C28 H20 Cl4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54184","CuKα","","0.0242","0.0239","","","0.0602","0.0605","","","","","","1.069","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219721","4.0618","0.00009","9.44353","0.00018","25.4237","0.0004","90","","90","","90","","975.2","0.03","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","[(btt)IBr]","[(2(3)H-benzothiazole-thione)IBr]","","- C7 H5 Br I N S2 -","- C7 H5 Br I N S2 -","- C28 H20 Br4 I4 N4 S8 -","4","1","","Koskinen, L.; Hirva, P.; Hasu, A.; Jääskeläinen, S.; Koivistoinen, J.; Pettersson, M.; Haukka, M.","Modification of the supramolecular structure of [(thione)IY] (Y = Cl, Br) systems by cooperation of strong halogen bonds and hydrogen bonds","CrystEngComm","2015","17","13","2718","","10.1039/C4CE02449D","","","1.54178","CuKα","","0.0152","0.0149","","","0.0336","0.0337","","","","","","1.046","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219756","9.6098","0.0002","11.4528","0.0004","18.8441","0.0005","90","","90","","90","","2073.97","0.1","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 F6 N4 P -","- C18 H23 F6 N4 P -","- C72 H92 F24 N16 P4 -","4","1","","Yang, Liangru; Zhang, Xinchi; Mao, Pu; Xiao, Yong-Mei; Bian, Huanyu; Yuan, Jinwei; Mai, Wen-Peng; Qu, Lingbo","NCN Pincer Palladium Complexes Based on 1,3-dipicolyl-3,4,5,6-tetrahydropyrimidin-2-ylidenes: Synthesis, Characterization and Catalytic Activities","RSC Adv.","2015","","","","","10.1039/C5RA01706H","","","1.5418","CuKα","","0.0561","0.0496","","","0.1409","0.1494","","","","","","1.05","","","","has coordinates,has disorder","180528","2020-10-21","18:00:00",""
"7219757","7.8169","0.0004","12.9702","0.0006","22.3383","0.001","90","","90","","90","","2264.81","0.19","291","2","291.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl F6 N4 P Pd -","- C18 H22 Cl F6 N4 P Pd -","- C72 H88 Cl4 F24 N16 P4 Pd4 -","4","1","","Yang, Liangru; Zhang, Xinchi; Mao, Pu; Xiao, Yong-Mei; Bian, Huanyu; Yuan, Jinwei; Mai, Wen-Peng; Qu, Lingbo","NCN Pincer Palladium Complexes Based on 1,3-dipicolyl-3,4,5,6-tetrahydropyrimidin-2-ylidenes: Synthesis, Characterization and Catalytic Activities","RSC Adv.","2015","","","","","10.1039/C5RA01706H","","","0.71073","MoKα","","0.0511","0.0416","","","0.0986","0.1045","","","","","","1.038","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219795","5.4757","0.0011","7.7423","0.0015","24.406","0.005","90","","90","","90","","1034.7","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0301","0.0272","","","0.0779","0.0945","","","","","","1.184","","","","has coordinates","180528","2020-10-21","18:00:00",""
"7219804","3.727","0.0007","11.656","0.002","25.035","0.005","90","","90","","90","","1087.6","0.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0758","0.0514","","","0.1245","0.1375","","","","","","0.999","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219806","3.6872","0.0003","12.9017","0.0008","22.262","0.002","90","","90","","90","","1059.03","0.14","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MOKα","","0.0481","0.0368","","","0.0746","0.0794","","","","","","1.023","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219811","3.7226","0.0006","13.105","0.002","21.768","0.004","90","","90","","90","","1061.9","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N -","- C13 H7 F4 N -","- C52 H28 F16 N4 -","4","1","","Kaur, Gurpreet; Choudhury, Angshuman Roy","A comprehensive understanding of the synthons involving C‒H⋯F‒C hydrogen bond(s) from structural and computational analyses","CrystEngComm","2015","17","15","2949","","10.1039/C5CE00215J","","","0.71073","MoKα","","0.0507","0.0373","","","0.0654","0.0711","","","","","","1.061","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219886","4.5675","0.0005","7.6532","0.0008","45.491","0.003","90","","90","","90","","1590.2","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O8 S -","- C15 H18 O8 S -","- C60 H72 O32 S4 -","4","1","","Gao, J.-M.; Li, He; Tian, Jun-Mian; Tang, Hao-Yu; Zhang, An-Ling; Pan, Shi-Yin","Chaetosemins A-E, New Chromones Isolated from an Ascomycete Chaetomium seminudum and Their Biological Activities","RSC Adv.","2015","","","","","10.1039/C5RA00525F","","","0.71073","MoKα","","0.068","0.0525","","","0.1052","0.111","","","","","","1.038","","","","has coordinates","180529","2020-10-21","18:00:00",""
"7219913","7.099","0.0002","14.3201","0.0009","18.211","0.0009","90","","90","","90","","1851.3","0.16","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 B F4 Mo N2 O2 -","- C17 H17 B F4 Mo N2 O2 -","- C68 H68 B4 F16 Mo4 N8 O8 -","4","1","","Lodinský, Jakub; Vinklárek, Jaromír; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan","Stabilization of η3-indenyl compounds by sterically demanding N,N-chelating ligands in the molybdenum coordination sphere","RSC Adv.","2015","5","34","27140","","10.1039/C5RA01450F","","","0.71073","MoKα","","0.0477","0.0447","","","0.1163","0.1202","","","","","","1.248","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219941","10.117","0.0011","16.767","0.002","22.415","0.002","90","","90","","90","","3802.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Co2 N4 O14 -","- C24 H24 Co2 N2 O12 -","- C96 H96 Co8 N8 O48 -","4","1","","Peng, Yu; Li, Guanghua; Hua, Jia; Shi, Zhan; Feng, Shouhua","Syntheses, topological structures and properties of six metal‒organic frameworks constructed from a flexible tetracarboxylate ligand","CrystEngComm","2015","17","16","3162","","10.1039/C5CE00078E","","","0.71073","MoKα","","0.1759","0.0779","","","0.1567","0.17","","","","","","1.015","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219944","9.543","0.002","9.544","0.002","25.269","0.006","90","","90","","90","","2301.5","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 O7 S -","- C10.2857 H18.2857 O8 S1.14286 -","- C72 H128 O56 S8 -","7","1.75","","Bhaumik, Atanu; Pal, Tarun Kumar; Pathak, Tanmaya","1,1-Dioxothiomorpholines with asymmetric environments: protecting group directed diastereoselectivity of glyco divinyl sulfone cyclization","RSC Adv.","2015","5","35","27706","","10.1039/C5RA03276H","","","0.71073","MoKα","","0.1163","0.0622","","","0.1484","0.1881","","","","","","0.857","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7219980","8.4025","0.0006","8.9518","0.0006","22.4061","0.0015","90","","90","","90","","1685.3","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Ganesan, Asaithampi; Kothandapani, Jagatheeswaran; Nanubolu, Jagadeesh Babu; Ganesan, Subramaniapillai Selva","Oleic acid: a benign Brønsted acidic catalyst for densely substituted indole derivative synthesis","RSC Adv.","2015","5","36","28597","","10.1039/C5RA02906F","","","0.71073","MoKα","","0.0398","0.038","","","0.1121","0.1139","","","","","","1.052","","","","has coordinates","180530","2020-10-21","18:00:00",""
"7220025","11.545","0.002","13.276","0.003","13.627","0.003","90","","90","","90","","2088.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3R,4R)-ethyl 2-((S)-2-aminopropanamido)-3- (benzylthio)bicyclo[2.2.1]heptane-2-carboxylate","","- C20 H28 N2 O3 S -","- C20 H28 N2 O3 S -","- C80 H112 N8 O12 S4 -","4","1","","Clerici, Francesca; Ruffoni, Alessandro; Contini, Alessandro; Soave, Raffaella; Lo Presti, Leonardo; Esposto, Irene; nava, donatella; Pellegrino, Sara; Gelmi, Maria Luisa; maffucci, irene","Model peptides containing the 3-sulfanyl-norbornene amino acid, a conformationally constrained cysteine analogue effective inducer of 310-helix secondary structures","RSC Adv.","2015","","","","","10.1039/C5RA03805G","","","0.71073","MoKα","","0.0738","0.0468","","","0.1082","0.1231","","","","","","1.019","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220029","10.1917","0.0006","13.1711","0.0008","21.6852","0.0012","90","","90","","90","","2910.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 Cl N O8 -","- C33 H34 Cl N O8 -","- C132 H136 Cl4 N4 O32 -","4","1","","Yu, Xiang; Shi, Danfeng; Zhi, Xiaoyan; Li, Qin; Yao, Xiaojun; xu, hui","Synthesis and quantitative structure-activity relationship (QSAR) study of C7-oxime ester derivatives of obacunone as insecticidal agents","RSC Adv.","2015","","","","","10.1039/C5RA01411E","","","0.7107","MoKα","","0.0859","0.0582","","","0.1259","0.1535","","","","","","1.033","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220030","10.9438","0.0004","14.3642","0.0005","19.1003","0.0007","90","","90","","90","","3002.55","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H34 Cl N O8 -","- C33 H34 Cl N O8 -","- C132 H136 Cl4 N4 O32 -","4","1","","Yu, Xiang; Shi, Danfeng; Zhi, Xiaoyan; Li, Qin; Yao, Xiaojun; xu, hui","Synthesis and quantitative structure-activity relationship (QSAR) study of C7-oxime ester derivatives of obacunone as insecticidal agents","RSC Adv.","2015","","","","","10.1039/C5RA01411E","","","0.7107","MoKα","","0.1013","0.0571","","","0.0964","0.1233","","","","","","1.006","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220031","10.7476","0.0009","14.2825","0.0012","19.7165","0.0017","90","","90","","90","","3026.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O8 -","- C34 H37 N O8 -","- C136 H148 N4 O32 -","4","1","","Yu, Xiang; Shi, Danfeng; Zhi, Xiaoyan; Li, Qin; Yao, Xiaojun; xu, hui","Synthesis and quantitative structure-activity relationship (QSAR) study of C7-oxime ester derivatives of obacunone as insecticidal agents","RSC Adv.","2015","","","","","10.1039/C5RA01411E","","","0.7107","MoKα","","0.1148","0.0603","","","0.1106","0.1435","","","","","","1.063","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220038","6.1074","0.001","7.4893","0.0012","35.8612","0.0015","90","","90","","90","","1640.3","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C84 H76 N4 O8 -","4","1","","Tang, Hui-Hui; Zhang, Lu; Zeng, Li-Li; Fang, Xue-Ming; Lin, Li-Rong; Zhang, Hui","A Pair of Schiff Base Enantiomers Studied by Absorption, Fluorescence, Electronic and Vibrational Circular Dichroism Spectroscopies and Density Functional Theory Calculation","RSC Adv.","2015","","","","","10.1039/C5RA02154E","","","0.71073","MoKα","","0.0883","0.0536","","","0.0942","0.1093","","","","","","1.025","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220043","11.947","0.002","15.249","0.003","25.716","0.004","90","","90","","90","","4684.9","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Cl N2 O6 -","- C25 H23 Cl N2 O6 -","- C200 H184 Cl8 N16 O48 -","8","2","","Yang, Fan; Sun, Jing; Gao, Hong; Yan, Chao Guo","Unprecedented formation of spiro[indoline-3,7'-pyrrolo[1,2-a]azepine] via multicomponent reaction of L-proline, isatin and But-2-ynedioate","RSC Adv.","2015","","","","","10.1039/C5RA04102C","","","0.71073","MoKα","","0.0755","0.0474","","","0.1002","0.1112","","","","","","1.052","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220051","11.693","0.002","14.583","0.003","17.761","0.004","90","","90","","90","","3028.6","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 Cl2 Co N3 -","- C28 H31 Cl2 Co N3 -","- C112 H124 Cl8 Co4 N12 -","4","1","","Ba, Junjun; Du, Shizhen; Yue, Erlin; Hu, Xinquan; Flisak, Zygmunt; Sun, Wen Hua","Constrained formation of 2-(1-(arylimino)ethyl)-7-arylimino-6,6-dimethylcyclopentapyridines and their cobalt(II) chloride com-plexes: synthesis, characterization and ethylene polymerization","RSC Adv.","2015","","","","","10.1039/C5RA04722F","","","0.71073","MoKα","","0.071","0.0682","","","0.1863","0.189","","","","","","1.105","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220077","6.2836","0.0006","8.1666","0.001","34.87","0.003","90","","90","","90","","1789.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Pan, Yanyan; Xing, Peiqi; Geng, Xiujuan; Zhu, Yujing; Liu, Faqian; Wang, Lei","Supramolecular Assemblies of 2-hydroxy-3-naphthoic Acid and N-Heterocycles via Various Strong Hydrogen Bonds and Weak X•••π (X= C‒H, π) Interactions","RSC Adv.","2015","","","","","10.1039/C5RA03837E","","","0.71073","MoKα","","0.071","0.0466","","","0.097","0.1138","","","","","","1.049","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220091","11.0678","0.0016","23.228","0.004","27.246","0.004","90","","90","","90","","7004.5","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H71 Au2 Cl3 N4 O4 P2 -","- C73 H71 Au2 Cl3 N4 O4 P2 -","- C292 H284 Au8 Cl12 N16 O16 P8 -","4","1","","Sakamoto, Yuki; Moriuchi, Toshiyuki; Hirao, Toshikazu","Dinuclear organogold(i) complexes bearing uracil moieties: chirality of Au(i)‒Au(i) axis and self-assembly","CrystEngComm","2015","17","18","3460","","10.1039/C5CE00221D","","","0.71075","MoKα","","0.0945","0.078","","","0.1998","0.2106","","","","","","1.035","","","","has coordinates","180531","2020-10-21","18:00:00",""
"7220098","8.5712","0.0011","20.565","0.002","25.986","0.003","90","","90","","90","","4580.5","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H54 Cl3 N O13 -","- C43 H54 Cl3 N O13 -","- C172 H216 Cl12 N4 O52 -","4","1","","Lin, Zhenjian; Ma, Xinhua; Wei, Hongjuan; Li, Dehai; Gu, Qianqun; Zhu, Tianjiao","Spicarins A-D from Acetylated Extract of Fungus Spicaria elegans KLA03","RSC Adv.","2015","","","","","10.1039/C5RA01923K","","","0.71073","MoKα","","0.1525","0.0715","","","0.1678","0.1901","","","","","","1.067","","","","has coordinates,has disorder","180531","2020-10-21","18:00:00",""
"7220112","5.8967","0.0006","12.0644","0.0013","42.577","0.005","90","","90","","90","","3028.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 Fe2 Se2 -","- C38 H34 Fe2 Se2 -","- C152 H136 Fe8 Se8 -","4","1","","Liu, Yu-Qing; Ji, Wei; Zhou, Hai-Yan; Li, Yu; Jing, Su; Zhu, Dunru; Zhang, jian","Anthracene-based ferrocenylselenoethers: syntheses, crystal structures, Cu(I) complexes and sensoring property","RSC Adv.","2015","","","","","10.1039/C5RA06591G","","","0.71073","MoKα","","0.0486","0.0389","","","0.0842","0.0873","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220136","6.9036","0.0002","14.6668","0.0003","19.4642","0.0004","90","","90","","90","","1970.82","0.08","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 I2 N5 Zn -","- C19 H13 I2 N5 Zn -","- C76 H52 I8 N20 Zn4 -","4","1","","Zhang, Guoqi; yin, zhiwei; Zheng, Shengping; Phoenix, Tonya; Fettinger, James C.","Assembling mono-, di- and tri-nuclear coordination complexes with a ditopic analogue of 2,2':6',2''-terpyridine: syntheses, structures and catalytic studies","RSC Adv.","2015","","","","","10.1039/C5RA06197K","","","1.54178","CuKα","","0.0328","0.0328","","","0.0858","0.0858","","","","","","1.202","","","","has coordinates,has disorder","135730","2020-10-21","18:00:00",""
"7220153","8.8785","0.0002","18.0839","0.0004","23.6013","0.0006","90","","90","","90","","3789.38","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 B N P -","- C20 H23 B N P -","- C160 H184 B8 N8 P8 -","8","2","","Panda, Tarun Kanti Kanti; Kottalanka, Ravi K.; Harinath, A.","Chiral Alkaline Earth Metal Complexes Having M‒Se Direct Bond (M = Mg, Ca, Sr, Ba): Syntheses, Structures and e-Caprolactone Polymerisation","RSC Adv.","2015","","","","","10.1039/C5RA04495B","","","1.54184","CuKα","","0.0482","0.0418","","","0.1102","0.1183","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220203","8.105","0.0009","8.5614","0.0009","11.3382","0.0012","90","","90","","90","","786.76","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C4 N10 O2 -","- C4 N10 O2 -","- C16 N40 O8 -","4","1","","Sheremetev, Aleksei B.; Lyalin, Boris V.; Kozeev, Andrei M.; Palysaeva, Nadezhda V.; Struchkova, Marina I.; Suponitsky, Kyrill","A Practical Anodic Oxidation of Aminofurazans to Azofurazans: an environmentally friendly route","RSC Adv.","2015","","","","","10.1039/C5RA05726D","","","0.71073","MoKα","","0.0623","0.0359","","","0.0683","0.0778","","","","","","1.028","","","","has coordinates","135761","2020-10-21","18:00:00",""
"7220214","9.142","0.0003","11.9074","0.0004","20.3303","0.001","90","","90","","90","","2213.1","0.15","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 F2 O6 -","- C24 H30 F2 O6 -","- C96 H120 F8 O24 -","4","1","","Abbas, Samah Sayed; Refaat, Mohamed; bebawy, lories; shokry, rafeek fahmy","Stability-indicating chromatographic determination of hydroquinone in combination with tretinoin and fluocinolone acetonide in pharmaceutical formulation with photodegradation kinetic study","RSC Adv.","2015","","","","","10.1039/C5RA07083J","","","0.71073","MoKα","","0.1712","0.0544","","0.1027","0.0673","0.0673","","","","","","0.9361","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220304","4.7574","0.0007","11.0476","0.0017","26.177","0.005","90","","90","","90","","1375.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","pyrazolo[1,5-a]pyrimidine","2-methyl-5-(4-bromophenyl)-7-trifluoromethylpyrazolo[1,5-a]pyrimidine","","- C14 H9 Br F3 N3 -","- C14 H9 Br F3 N3 -","- C56 H36 Br4 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0905","0.0441","","","0.0991","0.1262","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220308","4.0774","0.0003","12.7591","0.0006","19.5223","0.0009","90","","90","","90","","1015.63","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","pyrazolo[1,5-a]pyrimidine","2-methyl-7-(pyrid-2-yl)pyrazolo[1,5-a]pyrimidine","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.1094","0.0507","","","0.1222","0.1464","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220315","4.7929","0.0004","10.5914","0.0009","26.224","0.002","90","","90","","90","","1331.22","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chlorophenyl trifluoromethyl methylpyrirazole pyridine","5-(4-chlorophenyl)-7-trifluoromethyl-2-methylpyrirazole[1,5-a]pyridine","","- C14 H9 Cl F3 N3 -","- C14 H9 Cl F3 N3 -","- C56 H36 Cl4 F12 N12 -","4","1","","Frizzo, Clarissa P.; Tier, Aniele Z.; Gindri, Izabelle M.; Meyer, Alexandre R.; Black, Gabrielle; Belladona, Andrei L.; Martins, Marcos A. P.","Thermodynamic, energetic, and topological properties of crystal packing of pyrazolo[1,5-a]pyrimidines governed by weak electrostatic intermolecular interactions","CrystEngComm","2015","17","23","4325","","10.1039/C5CE00613A","","","0.71073","MoKα","","0.0642","0.0367","","","0.0766","0.0878","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220329","12.6554","0.0036","16.0575","0.0033","5.2045","0.0012","90","","90","","90","","1057.6","0.4","308","2","308","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L tyrosine ethyl ester","L tyrosine ethyl ester","","- C11 H15 N O3 -","- C11 H15 N O3 -","- C44 H60 N4 O12 -","4","1","","Nicolaï, Béatrice; Itié, Jean-Paul; Barrio, Maria; Tamarit, Josep-Lluìs; Rietveld, Ivo B.","Thermodynamics by synchrotron X-ray diffraction: phase relationships and crystal structure ofl-tyrosine ethyl ester form III","CrystEngComm","2015","17","21","3974","","10.1039/C5CE00284B","","","0.4499","synchrotron","","2.629","","","","","0.284","","","","","","1.636","","","","has coordinates","193997","2020-10-21","18:00:00",""
"7220370","11.7327","0.0015","17.388","0.002","31.903","0.004","90","","90","","90","","6508.5","1.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H38 O3 -","- C37 H38 O3 -","- C296 H304 O24 -","8","2","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1319","0.0839","","","0.2311","0.2667","","","","","","1.038","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220371","11.719","0.002","17.993","0.004","30.484","0.006","90","","90","","90","","6428","2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 O3 -","- C37 H50 O3 -","- C296 H400 O24 -","8","2","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.0676","0.0536","","","0.134","0.1432","","","","","","1.03","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220373","11.8542","0.0004","12.0125","0.0004","61.234","0.002","90","","90","","90","","8719.6","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H133 O8 -","- C98 H132.999 O8 -","- C392 H531.996 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1167","0.0637","","","0.1384","0.1617","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7220374","11.7623","0.0006","12.028","0.0006","61.71","0.003","90","","90","","90","","8730.5","0.8","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H134 O8 -","- C98 H134 O8 -","- C392 H536 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1088","0.0676","","","0.1643","0.1888","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220375","11.956","0.002","12.023","0.002","60.792","0.012","90","","90","","90","","8739","3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98 H134 O8 -","- C98 H134 O8 -","- C392 H536 O32 -","4","1","","Batisai, Eustina; Nassimbeni, Luigi R.; Weber, Edwin","Inclusion compounds of a borneol dumb-bell host with methylcyclohexanones and 2-butanols: structures and resolutions","CrystEngComm","2015","17","22","4205","","10.1039/C5CE00600G","","","0.71073","MoKα","","0.1282","0.0769","","","0.1961","0.2276","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220386","6.7352","0.0013","7.5089","0.0015","9.6823","0.0019","90","","90","","90","","489.67","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Cu N7 -","- C H Cu N7 -","- C4 H4 Cu4 N28 -","4","1","","Xie, Ya-Bo; Gan, Lei; Carolina Sañudo, E.; Zheng, Haiyang; Zhao, Jiongpeng; Zhao, Minjian; Wang, Bin; Li, Jian-Rong","Tetrazolate‒azido‒copper(ii) coordination polymers: tuned synthesis, structure, and magnetic properties","CrystEngComm","2015","17","22","4136","","10.1039/C5CE00531K","","","0.71073","MoKα","","0.0173","0.0169","","","0.0397","0.0398","","","","","","1.148","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220393","7.394","0.0007","11.4991","0.001","29.003","0.002","90","","90","","90","","2466","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","felodipine:acetophenone (1:1)","","","- C26 H27 Cl2 N O5 -","- C26 H27 Cl2 N O5 -","- C104 H108 Cl8 N4 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Diversity of felodipine solvates: structure and physicochemical properties","CrystEngComm","2015","17","22","4089","","10.1039/C5CE00350D","","","0.71073","MoKα","","0.0699","0.0531","","","0.1121","0.1186","","","","","","1.067","","","","has coordinates","138522","2020-10-21","18:00:00",""
"7220396","6.1259","0.0012","13.308","0.003","14.863","0.003","90","","90","","90","","1211.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 O4 P -","- C11 H17 O4 P -","- C44 H68 O16 P4 -","4","1","","Hossain, Sazzat; Gupta, Sandeep K.; Murugavel, Ramaswamy","2,6-Dimethylphenol derived H-phosphonate and α-hydroxyphosphonate: facile synthesis, crystal chemistry, supramolecular association and metal complexation","CrystEngComm","2015","17","23","4355","","10.1039/C5CE00675A","","","0.71075","MoKα","","0.0197","0.0197","","","0.0523","0.0524","","","","","","1.072","","","","has coordinates","138553","2020-10-21","18:00:00",""
"7220407","8.287","0.0017","14.806","0.003","21.367","0.004","90","","90","","90","","2621.7","0.9","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","7","","","- C19 H30 Cr F6 N4 O5 P -","- C19 H30 Cr F6 N4 O5 P -","- C76 H120 Cr4 F24 N16 O20 P4 -","4","1","","Wang, Ai; Merkens, Carina; Englert, Ulli","Interplay of ligand chirality and metal configuration in mononuclear complexes and in a coordination polymer of Cr(iii)","CrystEngComm","2015","17","23","4293","","10.1039/C5CE00586H","","","0.71073","MoKα","","0.0577","0.0451","","","0.1044","0.1134","","","","","","1.051","","","","has coordinates","138554","2020-10-21","18:00:00",""
"7220409","11.88","0.007","16.051","0.008","26.14","0.013","90","","90","","90","","4985","5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Cl N2 O3 -","- C29 H24.5 Cl N2 O3 -","- C232 H196 Cl8 N16 O24 -","8","2","","Vivekanand, Thavaraj; Vinoth, Perumal; Agieshkumar, B.; Sampath, Natarajan; Sudalai, Arumugam; Menéndez, J. Carlos; Sridharan, Vellaisamy","Highly efficient regioselective synthesis of pyrroles via a tandem enamine formation‒Michael addition‒cyclization sequence under catalyst- and solvent-free conditions","Green Chem.","2015","17","6","3415","","10.1039/C5GC00365B","","","0.71073","MoKα","","0.2031","0.0466","","","0.0971","0.1327","","","","","","0.869","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7220496","6.09236","0.00014","12.7347","0.0003","30.1234","0.0008","90","","90","","90","","2337.11","0.1","110.01","0.16","110.01","0.16","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 O3 -","- C27 H38 O3 -","- C108 H152 O12 -","4","1","","Wang, Qing; Ma, Xiangling; He, Jiawei; Li, Yuanzhi; Li, Hui","Insights into the fatty acid ester norethisterone enanthate binding to human albumin: fluorescence, circular dichroism, and docking investigations","RSC Adv.","2015","5","55","44696","","10.1039/C5RA06844D","","x-ray","1.54184","CuKα","","0.0569","0.0543","","","0.1376","0.1404","","","","","","1.058","","","","has coordinates","136945","2020-10-21","18:00:00",""
"7220501","9.3372","0.0005","9.6286","0.0003","19.5494","0.0006","90","","90","","90","","1757.57","0.12","104.3","","104.3","","","","","","","","Glycyrrhiza uralensis","3","P 21 21 21","P 2ac 2ab","19","","(R)-glycyfuranocoumarin A","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Ji, Shuai; Qiao, Xue; Li, Zi-wei; Wang, Yong-rui; Yu, Si-wang; Liang, Wen-fei; Lin, Xiong-hao; Ye, Min","Enantiomeric 3-arylcoumarins and 2-arylcoumarones from the roots of Glycyrrhiza uralensis as protein tyrosine phosphatase 1B (PTP1B) inhibitors","RSC Adv.","2015","5","56","45258","","10.1039/C5RA06452J","","","1.5418","CuKα","","0.0352","0.0334","","","0.0866","0.0879","","","","","","1.044","","","","has coordinates","137032","2020-10-21","18:00:00",""
"7220502","9.3355","0.0003","9.6307","0.0003","19.5386","0.0003","90","","90","","90","","1756.66","0.08","100.8","","100.8","","","","","","","","Glycyrrhiza uralensis","3","P 21 21 21","P 2ac 2ab","19","","(S)-glycyfuranocoumarin A","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Ji, Shuai; Qiao, Xue; Li, Zi-wei; Wang, Yong-rui; Yu, Si-wang; Liang, Wen-fei; Lin, Xiong-hao; Ye, Min","Enantiomeric 3-arylcoumarins and 2-arylcoumarones from the roots of Glycyrrhiza uralensis as protein tyrosine phosphatase 1B (PTP1B) inhibitors","RSC Adv.","2015","5","56","45258","","10.1039/C5RA06452J","","","1.5418","CuKα","","0.0374","0.0357","","","0.0895","0.0908","","","","","","1.063","","","","has coordinates","137032","2020-10-21","18:00:00",""
"7220503","9.33933","0.00018","19.7504","0.0004","9.61969","0.00017","90","","90","","90","","1774.4","0.06","180.01","0.1","180.01","0.1","","","","","","","Glycyrrhiza uralensis","3","P 21 21 21","P 2ac 2ab","19","","Glycyfuranocoumarin A","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Ji, Shuai; Qiao, Xue; Li, Zi-wei; Wang, Yong-rui; Yu, Si-wang; Liang, Wen-fei; Lin, Xiong-hao; Ye, Min","Enantiomeric 3-arylcoumarins and 2-arylcoumarones from the roots of Glycyrrhiza uralensis as protein tyrosine phosphatase 1B (PTP1B) inhibitors","RSC Adv.","2015","5","56","45258","","10.1039/C5RA06452J","","","1.54184","CuKα","","0.0313","0.0289","","","0.0745","0.0763","","","","","","1.026","","","","has coordinates,has disorder","137032","2020-10-21","18:00:00",""
"7220548","6.30805","0.00013","14.8331","0.0003","16.7092","0.0003","90","","90","","90","","1563.45","0.05","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4, 5-seco-probotryenol A","","","- C15 H28 O3 -","- C15 H28 O3 -","- C60 H112 O12 -","4","1","","Bao, Yan-Ru; Chen, Guo-Dong; Gao, Hao; He, Rong-Rong; Wu, Yue-Hua; Li, Xiao-Xia; Hu, Dan; Wang, Chuan-Xi; Liu, Xing-Zhong; Li, Yan; Yao, Xin-Sheng","4,5-seco-Probotryenols A‒C, a new type of sesquiterpenoids from Stachybotrys bisbyi","RSC Adv.","2015","5","57","46252","","10.1039/C5RA07122D","","","1.54184","CuKα","","0.0297","0.0281","","","0.0698","0.0708","","","","","","1.083","","","","has coordinates","137273","2020-10-21","18:00:00",""
"7220549","9.13361","0.00013","10.68806","0.00014","13.75024","0.00019","90","","90","","90","","1342.31","0.03","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","12-hydroxydehydrobotrydienol","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Bao, Yan-Ru; Chen, Guo-Dong; Gao, Hao; He, Rong-Rong; Wu, Yue-Hua; Li, Xiao-Xia; Hu, Dan; Wang, Chuan-Xi; Liu, Xing-Zhong; Li, Yan; Yao, Xin-Sheng","4,5-seco-Probotryenols A‒C, a new type of sesquiterpenoids from Stachybotrys bisbyi","RSC Adv.","2015","5","57","46252","","10.1039/C5RA07122D","","x-ray","1.54184","CuKα","","0.0301","0.029","","","0.0728","0.0738","","","","","","1.107","","","","has coordinates","137273","2020-10-21","18:00:00",""
"7220550","8.8587","0.0003","10.9481","0.0004","13.7817","0.0005","90","","90","","90","","1336.63","0.08","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","dehydrobotrydienol","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Bao, Yan-Ru; Chen, Guo-Dong; Gao, Hao; He, Rong-Rong; Wu, Yue-Hua; Li, Xiao-Xia; Hu, Dan; Wang, Chuan-Xi; Liu, Xing-Zhong; Li, Yan; Yao, Xin-Sheng","4,5-seco-Probotryenols A‒C, a new type of sesquiterpenoids from Stachybotrys bisbyi","RSC Adv.","2015","5","57","46252","","10.1039/C5RA07122D","","x-ray","1.54178","CuKα","","0.0819","0.073","","","0.1899","0.2014","","","","","","1.033","","","","has coordinates","137273","2020-10-21","18:00:00",""
"7220574","4.895","0.002","12.127","0.012","27.29","0.01","90","","90","","90","","1620","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N3 O9 -","- C13 H13 N3 O9 -","- C52 H52 N12 O36 -","4","1","","Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish","Assembly, growth and nonlinear thermo-optical properties of nitropeptides.","Physical chemistry chemical physics : PCCP","2015","17","26","16983","16990","10.1039/c5cp02218e","","","0.71073","MoKα","","0.1727","0.0807","","","0.0986","0.1295","","","","","","1.167","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220575","8.759","0.004","12.834","0.005","30.603","0.013","90","","90","","90","","3440","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N3 O9 -","- C14 H15 N3 O9 -","- C112 H120 N24 O72 -","8","2","","Bera, Santu; Ambast, Deepak K. S.; Pal, Bipul; Haldar, Debasish","Assembly, growth and nonlinear thermo-optical properties of nitropeptides.","Physical chemistry chemical physics : PCCP","2015","17","26","16983","16990","10.1039/c5cp02218e","","","0.71073","MoKα","","0.0581","0.0501","","","0.1406","0.1528","","","","","","0.962","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220580","5.9327","0.0001","8.3874","0.0001","11.5697","0.0001","90","","90","","90","","575.707","0.013","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 Cl2 F N S -","- C2 Cl2 F N S -","- C8 Cl8 F4 N4 S4 -","4","1","","Berrueta Martínez, Y; Rodríguez Pirani, L S; Erben, M. F.; Reuter, C. G.; Vishnevskiy, Y. V.; Stammler, H. G.; Mitzel, N. W.; Della Védova, C O","The structure of chloromethyl thiocyanate, CH2ClSCN, in gas and crystalline phases.","Physical chemistry chemical physics : PCCP","2015","17","24","15805","15812","10.1039/c5cp01968k","","","0.71073","MoKα","","0.0234","0.0225","","","0.0558","0.0566","","","","","","1.033","","","","has coordinates","143766","2020-10-21","18:00:00",""
"7220687","9.8585","0.0016","11.222","0.002","17.434","0.003","90","","90","","90","","1928.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Lu, Xin-Mou; Cai, Zhong-Jian; Li, Jian; Wang, Shun-Yi; Ji, Shun-Jun","Synthesis of 7-Hydroxy-6,7-dihydro-indole and 6',7'-Dihydro-3,7'-biindole Derivatives from Domino Reactions of Arylglyoxals or Methyl Ketones with Enamines","RSC Adv.","2015","","","","","10.1039/C5RA09478J","","","0.7107","MoKα","","0.1478","0.0897","","","0.1712","0.1924","","","","","","1.106","","","","has coordinates","138340","2020-10-21","18:00:00",""
"7220690","9.3","0.003","16.864","0.005","19.266","0.005","90","","90","","90","","3021.6","1.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H41 N3 O6 -","- C30 H41 N3 O6 -","- C120 H164 N12 O24 -","4","1","","Pramanik, Apurba; Paikar, Arpita; HALDAR, DEBASISH","Sonication-induced instant fibrillation and fluorescent labeling of tripeptide fibers","RSC Adv.","2015","","","","","10.1039/C5RA07864D","","","0.71073","MoKα","","0.1374","0.078","","","0.1745","0.2047","","","","","","1.099","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220704","10.094","0.0018","11.275","0.002","17.835","0.003","90","","90","","90","","2029.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Cl N3 O2 -","- C23 H20 Cl N3 O2 -","- C92 H80 Cl4 N12 O8 -","4","1","","Pramanik, Animesh; Maity, Subhendu; Kundu, Ashis","Synthesis of biologically important, fluorescence active 5-hydroxy benzo[g]indoles through four-component domino condensations and their fluorescence “Turn-off” sensing of Fe(III) ions","RSC Adv.","2015","","","","","10.1039/C5RA05780A","","","0.71073","MoKα","","0.1034","0.0566","","","0.1244","0.1502","","","","","","0.893","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220707","4.567","0.001","11.716","0.003","26.496","0.007","90","","90","","90","","1417.7","0.6","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Yao, Ching-Fa; R. R, Rajawinslin.; Ichake, Sachin S.; Kavala, Veerababurao; Gawande, Sachin D.; Huang, Yi-Hsiang; Kuo, Chun-Wei","Iron/acetic acid mediated synthesis of 6,7-dihydrodibenzo [b,j] [1,7] phenanthroline derivatives via intramolecular reductive cylization","RSC Adv.","2015","","","","","10.1039/C5RA06395G","","","0.71073","MoKα","","0.1344","0.0701","","","0.1596","0.2262","","","","","","1.029","","","","has coordinates","138984","2020-10-21","18:00:00",""
"7220750","6.4697","0.0013","11.008","0.002","25.007","0.005","90","","90","","90","","1781","0.6","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 N -","- C25 H17 N -","- C100 H68 N4 -","4","1","","Kapdi, Dr. Anant; Prajapati, Dharmendra; Schulzke, Carola; Kindermann, Markus Karl","Selective Palladium-Catalysed Arylation of 2,6-Dibromopyridine Using N-Heterocyclic Carbene Ligands","RSC Adv.","2015","","","","","10.1039/C5RA10561G","","","0.71073","MoKα","","0.0602","0.0387","","","0.08","0.0861","","","","","","0.924","","","","has coordinates","139070","2020-10-21","18:00:00",""
"7220765","4.5139","0.0003","11.3181","0.0007","20.4554","0.0014","90","","90","","90","","1045.04","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 N2 O7 Pb -","- C8 H6 N2 O7 Pb -","- C32 H24 N8 O28 Pb4 -","4","1","","Huang, Yong-Qing; Cheng, Hai-Di; Chen, Huai-Ying; Wan, Yi; Liu, Cheng-Long; Zhao, Yue; Xiao, Xin-Feng; Chen, Li-Hui","Structural diversity in coordination polymers with a semirigid Lewis acidity ligand: structures and properties","CrystEngComm","2015","17","30","5690","","10.1039/C5CE00677E","","","0.71073","MoKα","","0.0363","0.0327","","","0.0739","0.0762","","","","","","0.953","","","","has coordinates","153103","2020-10-21","18:00:00",""
"7220790","7.6885","0.0002","19.3149","0.0004","40.8677","0.0009","90","","90","","90","","6069","0.2","296","","296","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 O6 -","- C30 H38 O6 -","- C240 H304 O48 -","8","2","","Yang, Yong-xun; Gao, Shuang; Zhang, Shoude; Zu, Xian-peng; Shen, Yunheng; Shan, Lei; Li, Hui-Liang; Zhang, Weidong","Cytotoxic 2, 4-Linked Sesquiterpene Lactone Dimers from Carpesium faberi Exhibiting NF-κB Inhibitory Activity","RSC Adv.","2015","","","","","10.1039/C5RA09243D","","","1.54178","CuKα","","0.073","0.0551","","","0.1665","0.1882","","","","","","0.761","","","","has coordinates","139314","2020-10-21","18:00:00",""
"7220860","11.6396","0.0007","14.2359","0.0009","23.9678","0.0016","90","","90","","90","","3971.5","0.4","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H49 Cl3 Ga N S2 Si2 -","- C32 H49 Cl3 Ga N S2 Si2 -","- C128 H196 Cl12 Ga4 N4 S8 Si8 -","4","1","","Matsumoto, Takuya; Tanaka, Kazuo; Chujo, Yoshiki","High HOMO levels and narrow energy band gaps of dithienogalloles","RSC Adv.","2015","5","68","55406","","10.1039/C5RA08584E","","","0.71075","MoKα","","0.1402","0.0753","","","0.1647","0.1911","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220901","6.7596","0.0004","14.2927","0.0006","16.0445","0.0007","90","","90","","90","","1550.11","0.13","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-NO2-SP-HCl","4-nitrostyrylpyridinium chloride","","- C13 H17 Cl N2 O5 -","- C13 H13 Cl N2 O5 -","- C52 H52 Cl4 N8 O20 -","4","1","","Yamada, Shinji; Sako, Nodoka; Yamada, Kazuhiko; Deguchi, Kenzo; Shimizu, Tadashi","Porous organic hydrate crystals: structure and dynamic behaviour of water clusters","CrystEngComm","2015","17","30","5629","","10.1039/C4CE02517B","","","1.54187","CuKα","","0.126","0.0911","","","0.2306","0.2706","","","","","","1.036","","","","has coordinates","153101","2020-10-21","18:00:00",""
"7220905","4.7569","0.0009","9.66","0.002","28.117","0.005","90","","90","","90","","1292","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H10 Cl N O2 -","- C17 H10 Cl N O2 -","- C68 H40 Cl4 N4 O8 -","4","1","","Chadar, Dattatray; Rao, Soniya S.; Khan, Ayesha; Gejji, Shridhar P.; Bhat, Kiesar; Weyhermueller, Thomas; Salunke-Gawali, Sunita Arun","Benzo[α]phenoxazines and Benzo[α]phenothiazine from Vitamin K3: Synthesis, Molecular structures, DFT studies and Cytotoxic activity","RSC Adv.","2015","","","","","10.1039/C5RA08496B","","","0.71073","MoKα","","0.0545","0.0397","","","0.0813","0.087","","","","","","1.04","","","","has coordinates","139717","2020-10-21","18:00:00",""
"7220924","8.6906","0.0017","11.953","0.002","13.546","0.003","90","","90","","90","","1407.1","0.5","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","","Liu, Gong-Qing; Li, Lin; Duan, Lili; Li, Yue-Ming","mCPBA-mediated metal-free intramolecular aminohydroxylation and dioxygenation of unfunctionalized olefins","RSC Adv.","2015","","","","","10.1039/C5RA09024E","","","0.71073","MoKα","","0.0641","0.0592","","","0.1544","0.1598","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220974","11.6044","0.0004","12.7753","0.0005","13.3673","0.001","90","","90","","90","","1981.7","0.18","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H8 Cl4 N2 O2 -","- C20 H8 Cl4 N2 O2 -","- C80 H32 Cl16 N8 O8 -","4","1","","Makhseed, Saad; Ghazal, Basma; Abdelmoniem, Amr Mohamed; Novakova, Veronika; Zimcik, Petr","Photophysical and theoretical studies of peripherally halogenated octaphenoxyphthalocyanines","RSC Adv.","2015","","","","","10.1039/C5RA09737A","","","0.71075","MoKα","","","0.0264","","","","0.0723","","","","","","1.051","","","","has coordinates","139907","2020-10-21","18:00:00",""
"7220975","11.9517","0.0007","12.7781","0.0007","13.5193","0.001","90","","90","","90","","2064.7","0.2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H8 Br4 N2 O2 -","- C20 H8 Br4 N2 O2 -","- C80 H32 Br16 N8 O8 -","4","1","","Makhseed, Saad; Ghazal, Basma; Abdelmoniem, Amr Mohamed; Novakova, Veronika; Zimcik, Petr","Photophysical and theoretical studies of peripherally halogenated octaphenoxyphthalocyanines","RSC Adv.","2015","","","","","10.1039/C5RA09737A","","","0.71075","MoKα","","","0.0282","","","","0.0583","","","","","","1.095","","","","has coordinates","139907","2020-10-21","18:00:00",""
"7220983","7.627","0.0001","10.353","0.0002","18.997","0.0003","90","","90","","90","","1500.05","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N O4 S -","- C18 H13 N O4 S -","- C72 H52 N4 O16 S4 -","4","1","","Montesinos-Magraner, Marc; Cantón, Rubén; Vila, Carlos; Blay, Gonzalo; Fernández, Isabel; Muñoz, Carmen; Pedro, Jose R.","Organocatalytic Enantioselective aza-Friedel-Crafts Reaction of 2-Naphthols with Benzoxathiazine 2,2-dioxides","RSC Adv.","2015","","","","","10.1039/C5RA11168D","","","0.71073","MoKα","","0.0612","0.0399","","","0.0893","0.097","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220986","7.553","0.0004","15.471","0.0011","20.2441","0.0014","90","","90","","90","","2365.6","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 Cl2 N Ti -","- C22 H33 Cl2 N Ti -","- C88 H132 Cl8 N4 Ti4 -","4","1","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0678","0.0522","","","0.1261","0.1398","","","","","","1.108","","","","has coordinates,has disorder","139946","2020-10-21","18:00:00",""
"7220987","7.607","0.005","15.343","0.01","20.501","0.006","90","","90","","90","","2393","2","150","2","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 Cl2 N Zr -","- C22 H33 Cl2 N Zr -","- C88 H132 Cl8 N4 Zr4 -","4","1","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0657","0.0493","","","0.1033","0.1142","","","","","","1.124","","","","has coordinates,has disorder","139946","2020-10-21","18:00:00",""
"7220988","7.582","0.0004","15.3669","0.001","20.4961","0.0013","90","","90","","90","","2388","0.3","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H33 Cl2 Hf N -","- C22 H33 Cl2 Hf N -","- C88 H132 Cl8 Hf4 N4 -","4","1","","Havlik, Ales; Lamač, Martin; Pinkas, Jiri; Růžička, Aleš; Horacek, Michal","Mixed Amido-cyclopentadienyl Group 4 Metal Complexes","RSC Adv.","2015","","","","","10.1039/C5RA07742G","","","0.71073","MoKα","","0.0368","0.0288","","","0.053","0.0569","","","","","","1.123","","","","has coordinates,has disorder","139946","2020-10-21","18:00:00",""
"7221016","9.429","","9.592","","9.897","","90","","90","","90","","895.114","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(N H4)2 (Co0.046 Al0.954)2 (P O4)2 ((O H)0.954 (H2 O)0.046)2","","- Al1.908 Co0.092 H10.092 N2 O10 P2 -","- Al1.908 Co0.092 N2 O10 P2 -","- Al7.632 Co0.368 N8 O40 P8 -","4","1","","Bontchev, R.P.; Sevov, S.C.","Hydrothermal synthesis and characterization of two ammonium-templated cobalt aluminophosphates","Journal of Materials Chemistry","1999","9","","2679","2682","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221026","12.9418","0.001","13.3852","0.0011","15.8438","0.0013","90","","90","","90","","2744.6","0.4","123","","123","","","","","","","","Fabian Brunner","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H12 Cu F18 N4 P -","- C24 H12 Cu F18 N4 P -","- C96 H48 Cu4 F72 N16 P4 -","4","1","","Brunner, Fabian; Klein, Y. Maximilian; Keller, Sarah; Morris, Collin D.; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","The beneficial effects of trifluoromethyl-substituents on the photoconversion efficiency of copper(i) dyes in dye-sensitized solar cells","RSC Adv.","2015","5","72","58694","","10.1039/C5RA09590E","","","1.54178","CuKα","","0.037","0.0369","","0.1038","0.1038","0.1038","","","","","","1.0014","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221031","9.9322","0.001","13.6154","0.001","14.4052","0.0015","90","","90","","90","","1948","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-6-Nitro-1-(1-phenylethyl)-2-(4-tolyl)quinolin-4(1<i>H</i>)-one","","- C24 H20 N2 O3 -","- C24 H20 N2 O3 -","- C96 H80 N8 O12 -","4","1","","Milyutina, Maria; Ivanov, Anton; Ejaz, Syeda; Iqbal, Jamshed; Villinger, Alexander; Iaroshenko, Victor O.; Langer, Peter","Diversity oriented synthesis of 6-Nitro- and 6-Aminoquinolones and their activity as alkaline phosphatase inhibitors","RSC Adv.","2015","","","","","10.1039/C5RA10948E","","","0.71073","MoKα","","0.0851","0.0414","","","0.0724","0.0959","","","","","","1.074","","","","has coordinates","140570","2020-10-21","18:00:00",""
"7221180","17.24","","16","","4.37","","90","","90","","90","","1205.42","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Ba Bi Se3 -","- Ba Bi Se3 -","- Ba8 Bi8 Se24 -","8","2","","Volk, K.; Cordier, G.; Cook, R.; Schaefer, H.","Ba Sb Te3 und Ba Pi Se3 Verbindungen mit Bi Se-bzw. Sb Te-Schichtverbaenden","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","136","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221181","18.09","","16.94","","4.635","","90","","90","","90","","1420.37","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Ba Sb Te3 -","- Ba Sb Te3 -","- Ba8 Sb8 Te24 -","8","2","","Volk, K.; Cordier, G.; Cook, R.; Schaefer, H.","Ba Sb Te3 und Ba Bi Se3 Verbindungen mit Bi Se-bzw. Sb Te-Schichtverbaenden","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","136","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221396","7.315","","7.197","","12.815","","90","","90","","90","","674.659","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Rb Sb -","- Rb Sb -","- Rb8 Sb8 -","8","2","","von Schnering, H.G.; Hoenle, W.; Krogull, G.","Die Monoantimonide Rb Sb und Cs Sb","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","1678","1682","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221397","7.575","","7.345","","13.273","","90","","90","","90","","738.488","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Cs Sb -","- Cs Sb -","- Cs8 Sb8 -","8","2","","von Schnering, H.G.; Krogull, G.; Hoenle, W.","Die Monoantimonide Rb Sb und Cs Sb","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","1678","1682","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221470","5.249","","8.444","","12.782","","90","","90","","90","","566.531","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N H4 Cu S4","","- Cu H4 N S4 -","- Cu N S4 -","- Cu4 N4 S16 -","4","1","","Burschka, C.","Kristallstruktur von N H4 Cu S4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1980","35","","1511","1513","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221503","8.9233","","15.521","","37.255","","90","","90","","90","","5159.76","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((C H3)4 N)2 (Mo S4)","","- C8 H24 Mo N2 S4 -","- C8 H24 Mo N2 S4 -","- C96 H288 Mo12 N24 S48 -","12","3","","Poisot, M.; Naether, C.; Bensch, W.","Synthesis, spectroscopic and X-ray structure characterisation of bis(tetramethylammonium) and bis(tetra-n-butylammonium) tetrathiomolybdates","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2007","62","","209","214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221547","4.789","0.004","25.136","0.019","17.087","0.013","90","","90","","90","","2057","3","90","","90","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H9 F12 N5 O -","- C20 H9 F12 N5 O -","- C80 H36 F48 N20 O4 -","4","1","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.117","0.0717","","","0.1552","0.1719","","","","","","1.084","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221548","10.1185","0.0018","11.019","0.002","22.947","0.004","90","","90","","90","","2558.5","0.8","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H11 F12 N5 -","- C26 H11 F12 N5 -","- C104 H44 F48 N20 -","4","1","","Hagihara, Ryusuke; Harada, Naomi; Karasawa, Satoru; Koga, Noboru","Crystalline transformations of dinaphthyridinylamine derivatives with alteration of solid-state emission in response to external stimuli","CrystEngComm","2015","17","46","8825","","10.1039/C5CE01126D","","","0.71075","MoKα","","0.0881","0.0767","","","0.2019","0.2194","","","","","","0.985","","","","has coordinates","173747","2020-10-21","18:00:00",""
"7221563","7.3527","0.00018","13.6016","0.0004","15.7824","0.0004","90","","90","","90","","1578.37","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C80 H80 O12 -","4","1","","Bedekar, Ashutosh; Jain, Nilesh","Lipase catalyzed desymmetrization of roof shape cis-11,12-bis(hydroxymethyl)-9,10-dihydro-9,10-ethanoanthracene","RSC Adv.","2015","","","","","10.1039/C5RA11626K","","","1.54184","CuKα","","0.0649","0.064","","","0.1788","0.1806","","","","","","1.097","","","","has coordinates","152127","2020-10-21","18:00:00",""
"7221565","10.5625","0.0003","12.0642","0.0004","15.9997","0.0005","90","","90","","90","","2038.81","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl O4 -","- C23 H23 Cl O4 -","- C92 H92 Cl4 O16 -","4","1","","Bedekar, Ashutosh; Jain, Nilesh","Lipase catalyzed desymmetrization of roof shape cis-11,12-bis(hydroxymethyl)-9,10-dihydro-9,10-ethanoanthracene","RSC Adv.","2015","","","","","10.1039/C5RA11626K","","","1.54184","CuKα","","0.0504","0.0477","","","0.1316","0.1363","","","","","","1.046","","","","has coordinates","152127","2020-10-21","18:00:00",""
"7221576","5.5376","0.0003","6.4429","0.0003","27.5008","0.0014","90","","90","","90","","981.18","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-(4-methoxyphenyl)-2-formylpyrrole","5-(4-methoxyphenyl)-1H-pyrrole-2-carbaldehyde","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.0656","0.0426","","","0.0818","0.0879","","","","","","1.011","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221577","5.5758","0.0008","6.3791","0.0006","24.493","0.003","90","","90","","90","","871.18","0.18","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-(4-fluorophenyl)-2-formylpyrrole","5-(4-fluorophenyl)-1H-pyrrole-2-carbaldehyde","","- C11 H8 F N O -","- C11 H8 F N O -","- C44 H32 F4 N4 O4 -","4","1","","Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Veiros, Luís F.; Gomes, Pedro T.","Exploring the influence of steric hindrance and electronic nature of substituents in the supramolecular arrangements of 5-(substituted phenyl)-2-formylpyrroles","CrystEngComm","2015","17","33","6406","","10.1039/C5CE00927H","","x-ray","0.71073","MoKα","","0.095","0.05","","","0.0785","0.0889","","","","","","0.948","","","","has coordinates","171085","2020-10-21","18:00:00",""
"7221602","10.513","0.002","13.093","0.003","17.827","0.004","90","","90","","90","","2453.8","0.9","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Cl N2 O5 -","- C27 H27 Cl N2 O5 -","- C108 H108 Cl4 N8 O20 -","4","1","","Yang, Wenjun; Zhang, Yunpeng; Qiu, Shuxian; Zhao, Chuanqi; Zhang, Lei; Liu, Honglei; Zhou, Leijie; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [4 + 2] cycloaddition of unsaturated pyrazolones with allenoates: a concise approach toward spiropyrazolones","RSC Adv.","2015","5","77","62343","","10.1039/C5RA11595G","","","0.71073","MoKα","","0.0371","0.0366","","","0.1003","0.1006","","","","","","1.136","","","","has coordinates","152332","2020-10-21","18:00:00",""
"7221664","10.697","0.005","13.011","0.005","22.764","0.005","90","0.005","90","0.005","90","0.005","3168","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Er F9 O8 -","- C30 H22 Er F9 O8 -","- C120 H88 Er4 F36 O32 -","4","1","","Sun, Qingyan; Yan, Pengfei; Niu, Wanying; chu, wenyi; Yao, Xu; An, Guanghui; Li, Guangming","NIR luminescence of a series of benzoyltrifluoroacetone erbium complexes","RSC Adv.","2015","","","","","10.1039/C5RA12954K","","","0.71069","MoKα","","0.027","0.0244","","","0.0545","0.0558","","","","","","1.055","","","","has coordinates","152580","2020-10-21","18:00:00",""
"7221671","7.1724","0.0003","11.2452","0.0007","18.526","0.0009","90","","90","","90","","1494.22","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O6 -","- C15 H20 O6 -","- C60 H80 O24 -","4","1","","Zhu, Weiming; Kong, Fandong; Zhao, Chengying; Hao, Jie; Wang, Cong; Wang, Wei; Huang, Xiaolong","New α-Glucosidase Inhibitors from a Marine Sponge-derived Fungus Aspergillus sp. OUCMDZ-1583","RSC Adv.","2015","","","","","10.1039/C5RA11185D","","","1.54178","CuKα","","0.0447","0.0373","","","0.091","0.0969","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221675","5.982","0.0003","12.321","0.0004","24.7101","0.0009","90","","90","","90","","1821.24","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(2R,3R,5R,6R)-3-hydroxy-2,5,6-triphenylcyclohexanone","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","1","","Pedrosa, Rafael; Adres, Jose M.; Guevara-Pulido, James O. Oswaldo","The Organocatalyzed Domino Michael-Aldol Reaction Revisited. Synthesis of Enantioenriched 3-Hydroxycyclohexanone Derivatives by Reaction of Enals with α,α´-Diaryl-substituted Acetone.","RSC Adv.","2015","","","","","10.1039/C5RA11215J","","","1.54184","CuKα","","0.1011","0.0592","","","0.1509","0.2158","","","","","","1.152","","","","has coordinates","171654","2020-10-21","18:00:00",""
"7221695","12.122","0.002","13.002","0.003","15.716","0.003","90","","90","","90","","2477","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N3 O3 -","- C28 H31 N3 O3 -","- C112 H124 N12 O12 -","4","1","","Zhang, Ivan; Wang, Yi; Wan, Chao; Xing, Zhen; Li, Wen; Li, Minjie; Zhang, Sean Xiao-An","A new rhodamine based chemodosimeter for Ni2+ with high sensitivity and selectivity","RSC Adv.","2015","","","","","10.1039/C5RA11737B","","","0.71073","MoKα","","0.1277","0.0831","","","0.2154","0.2457","","","","","","1.063","","","","has coordinates","152661","2020-10-21","18:00:00",""
"7221707","15.4985","0.0008","18.7452","0.0011","25.1312","0.0015","90","","90","","90","","7301.2","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H51 N O14 -","- C34 H51 N O14 -","- C272 H408 N8 O112 -","8","2","","Gong, Shuling; Guo, Rong; Wang, Wei; Yang, Weiping; Chen, Yuanyin","Exocyclic self-assembly behaviors of carboxylic acid and lariat ether macrocyclic hosts: regulation by pendent arm","RSC Adv.","2015","","","","","10.1039/C5RA09521B","","","0.71073","MoKα","","0.1388","0.0569","","","0.1307","0.1702","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221709","10.9122","0.0016","11.4715","0.0018","23.486","0.003","90","","90","","90","","2940","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","PYR_07","","- C25 H34 N3 O10 -","- C25 H34 N3 O10 -","- C100 H136 N12 O40 -","4","1","","Lalwani, Komal G.; Aher, Ravindra D.; Sudalai, Arumugam","Organocatalytic [4+1]-annulation approach for the synthesis of densely functionalized pyrazolidine carboxylates","RSC Adv.","2015","5","80","65554","","10.1039/C5RA09583B","","","0.71073","MoKα","","0.1004","0.0774","","","0.1916","0.2113","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221730","9.579","0.0019","14.734","0.003","16.363","0.003","90","","90","","90","","2309.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N5 O6 Zn -","- C25 H19 N5 O6 Zn -","- C100 H76 N20 O24 Zn4 -","4","1","","Kim, Cheal; Nataraj, Chitrapriya; Kim, Seog K.; Shin, Jong; Hwang, In Hong; Kim, Youngmee","Synthesis, DNA binding profile and DNA cleavage pathway of divalent metal complexes","RSC Adv.","2015","","","","","10.1039/C5RA10695H","","","0.71073","MoKα","","0.066","0.0416","","","0.0868","0.0959","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221743","9.55072","0.00015","12.7917","0.0002","18.0663","0.0003","90","","90","","90","","2207.16","0.06","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Co N5 O3 -","- C22 H28 Co N5 O3 -","- C88 H112 Co4 N20 O12 -","4","1","","Das, Mithun; Ghosh, Biswa Nath; Bauza, Antonio; Rissanen, Kari; Frontera, Antonio; Chattopadhyay, Shouvik","Observation of novel oxygen•••oxygen interaction in supramolecular assembly of cobalt(III) Schiff base complexes: A combined experimental and computational study","RSC Adv.","2015","","","","","10.1039/C5RA13960K","","","0.71073","MoKα","","0.0472","0.0364","","","0.0782","0.0845","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221752","5.8912","0.0001","7.9258","0.0002","28.6878","0.0005","90","","90","","90","","1339.5","0.05","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0589","0.041","","","0.1358","0.1536","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221754","5.6809","0.0012","8.0485","0.0017","33.742","0.007","90","","90","","90","","1542.8","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.0753","0.0505","","","0.1393","0.1551","","","","","","1.068","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221756","5.806","0.004","8.297","0.006","37.02","0.02","90","","90","","90","","1783","2","566","2","566","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Tang, Gui-Mei; Wang, Jin-Hua; Zhao, Chao; Wang, Yong-Tao; Cui, Yue-Zhi; Cheng, Fei-Yue; Ng, Seik Weng","Multi odd‒even effects on cell parameters, melting points, and optical properties of chiral crystal solids based on S-naproxen","CrystEngComm","2015","17","38","7258","","10.1039/C5CE01345C","","","0.71073","MoKα","","0.1118","0.0694","","","0.2","0.2304","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221776","4.715","0.002","12.331","0.005","24.742","0.011","90","","90","","90","","1438.5","1.1","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","","Meenatchi, V.; Agilandeshwari, R.; Meenakshisundaram, SP.","Synthesis, structure, characterization and theoretical studies of NLO active furan-2-carbohydrazide monohydrate derivative single crystals","RSC Adv.","2015","","","","","10.1039/C5RA07936E","","x-ray","0.71073","MoKα","","0.0615","0.0497","","","0.0981","0.1029","","","","","","1.0783","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221784","6.8589","0.0005","26.104","0.0018","30.252","0.002","90","","90","","90","","5416.5","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 Br N O4 -","- C30 H28 Br N O4 -","- C240 H224 Br8 N8 O32 -","8","2","","Maurya, Hardesh K.; Hasanain, Mohammad; Kumar, Ch. Pavan; Vasudeva, Prema G.; Sarkar, Jayanta; Chandrasekharam, M.; Gupta, Atul","Synthesis, photophysical and anticancer study of D-ring extended estrone analogues","RSC Adv.","2015","5","84","68843","","10.1039/C5RA11112A","","","0.71073","MoKα","","0.2057","0.0626","","","0.1214","0.1595","","","","","","0.931","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221809","12.437","0.0006","14.0606","0.0007","32.3952","0.0016","90","","90","","90","","5665","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H78 N0 Ni3 O22 -","- C50 H71 Ni3 O22 -","- C200 H284 Ni12 O88 -","4","1","","Lun, Hui-Jie; Cui, Sa-Sa; Li, Hai-Jiao; Ping, Qi; Song, Hao-Han; Li, Ya-Min; Ru, Yu; Bai, Yan-Long; Xiang, Sheng-Chang","A chiral coordination polymer with double coaxially nested helical chains exhibiting spin-canting antiferromagnetism","CrystEngComm","2015","17","37","7029","","10.1039/C5CE01378J","","","0.71073","MoKα","","0.0742","0.0618","","","0.1562","0.1622","","","","","","1.057","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7221839","9.446","0.006","17.339","0.011","37.04","0.02","90","","90","","90","","6067","6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis(S-N-(1-phenyl)ethylpyrrolo)tetrathiafulvalenetriiodide THF solvate 11.I3.0.5THF","","- C28 H26 I3 N2 O0.5 S4 -","- C28 H26 I3 N2 O0.5 S4 -","- C224 H208 I24 N16 O4 S32 -","8","2","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.6893","synchrotron","","0.1169","0.0763","","","0.1612","0.1774","","","","","","1.109","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221844","9.484","0.01","19.551","0.014","30.639","0.003","90","","90","","90","","5681","7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Bis(S-N-(1-phenylethyl)-2,5-dihydropyrrolo)tetrathiafulvalene triiodide 13.I3","","- C26 H22 I3 N2 S4 -","- C26 H22 I3 N2 S4 -","- C208 H176 I24 N16 S32 -","8","2","","Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D.","Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes","CrystEngComm","2015","17","38","7354","","10.1039/C5CE01430A","","","0.71073","MoKα","","0.2909","0.1588","","","0.2564","0.3222","","","","","","1.059","","","","has coordinates","171014","2020-10-21","18:00:00",""
"7221862","5.0152","0.0007","15.45","0.002","20.528","0.003","90","","90","","90","","1590.6","0.4","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 O2 -","- C23 H16 O2 -","- C92 H64 O8 -","4","1","","Larionov, Vladimir A.; Markelova, Elina P.; Smol’yakov, Alexander F.; Savel’yeva, Tat’yana F.; Maleev, Victor I.; Belokon, Yuri N.","Chiral octahedral complexes of Co(III) as catalysts for asymmetric epoxidation of chalcones under phase transfer conditions.","RSC Adv.","2015","","","","","10.1039/C5RA11760G","","","1.54178","CuKα","","0.0683","0.0672","","","0.2033","0.206","","","","","","1.001","","","","has coordinates","153608","2020-10-21","18:00:00",""
"7221933","7.6369","0.0003","9.8408","0.0004","28.3369","0.0012","90","","90","","90","","2129.61","0.15","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O8 -","- C23 H30 O8 -","- C92 H120 O32 -","4","1","","Zhang, Jianlong; Chen, Zhi-Hua; Xu, Jun; Li, Juan; Tan, Ya-Fang; Zhou, Ju-Hua; Ye, Wen-Cai; Tian, Hai-Yan; Jiang, Renwang","New structures, chemotaxonomic significance and COX-2 inhibitory activities of cassane-type diterpenoids from the seeds of Caesalpinia minax","RSC Adv.","2015","","","","","10.1039/C5RA14221K","","","1.54184","CuKα","","0.037","0.0335","","","0.0853","0.0891","","","","","","1.067","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221958","9.6738","0.0002","22.7931","0.0005","30.9469","0.0006","90","","90","","90","","6823.7","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C66 H80 O32 -","- C66 H80 O32 -","- C264 H320 O128 -","4","1","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0629","0.0479","","","0.1138","0.1241","","","","","","1.026","","","","has coordinates,has disorder","171029","2020-10-21","18:00:00",""
"7221959","9.8352","0.0006","22.9018","0.0013","31.1702","0.0016","90","","90","","90","","7020.9","0.7","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C34.5 H43 O15.5 -","- C34.5 H43 O15.5 -","- C276 H344 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1096","0.0596","","","0.1369","0.1596","","","","","","1.033","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7221960","9.7888","0.0002","22.9845","0.0006","31.9792","0.0006","90","","90","","90","","7195","0.3","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 O17 -","- C37 H46 O17 -","- C296 H368 O136 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.0987","0.0595","","","0.138","0.165","","","","","","1.009","","","","has coordinates,has disorder","182989","2020-10-21","18:00:00",""
"7221961","9.822","0.0008","22.9864","0.0017","31.274","0.003","90","","90","","90","","7060.8","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35 H46 O16 -","- C35 H46 O16 -","- C280 H368 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1603","0.0676","","","0.1352","0.1743","","","","","","0.985","","","","has coordinates","183084","2020-10-21","18:00:00",""
"7221962","9.74","0.0003","22.9011","0.0007","31.3079","0.0009","90","","90","","90","","6983.4","0.4","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H48 O16 -","- C36 H48 O16 -","- C288 H384 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0631","0.051","","","0.1376","0.1462","","","","","","1.028","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221963","9.849","0.0004","23.0547","0.001","31.6595","0.0015","90","","90","","90","","7188.8","0.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C36 H48 O16 -","- C36 H47.5 O16 -","- C288 H380 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1178","0.0674","","","0.1597","0.1853","","","","","","1.082","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221964","9.8572","0.0002","23.1109","0.0004","31.842","0.0005","90","","90","","90","","7253.9","0.2","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C37 H50 O16 -","- C37 H50 O16 -","- C296 H400 O128 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","1.54178","CuKα","","0.0796","0.0637","","","0.163","0.175","","","","","","1.047","","","","has coordinates","171029","2020-10-21","18:00:00",""
"7221965","9.7994","0.0007","23.0446","0.0016","31.541","0.002","90","","90","","90","","7122.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35.5 H47 O15.5 -","- C35.5 H44.5 O15.5 -","- C284 H356 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1952","0.0926","","","0.1747","0.2247","","","","","","1.046","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7221966","9.8881","0.0013","22.984","0.003","31.311","0.004","90","","90","","90","","7116","1.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Icariin","","","- C35.5 H46 O15.5 -","- C35.5 H45 O15.5 -","- C284 H360 O124 -","8","2","","Jia, Lina; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","Versatile solid modifications of icariin: structure, properties and form transformation","CrystEngComm","2015","17","39","7500","","10.1039/C5CE01422K","","","0.71073","MoKα","","0.1265","0.066","","","0.1572","0.191","","","","","","0.993","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7221967","9.37131","0.00017","25.5346","0.0004","13.2574","0.0002","90","","90","","90","","3172.4","0.09","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H46 N4 O6 -","- C33 H46 N4 O6 -","- C132 H184 N16 O24 -","4","1","","Sarkar, Rajib; Debnath, Mintu; Maji, Krishnendu; HALDAR, DEBASISH","Solvent assisted structural diversity: supramolecular sheet and double helix of a short aromatic γ-peptide","RSC Adv.","2015","","","","","10.1039/C5RA12831E","","x-ray","0.71073","MoKα","","0.0409","0.0383","","","0.1066","0.1085","","","","","","0.941","","","","has coordinates","153865","2020-10-21","18:00:00",""
"7221980","8.826","0.0009","16.2679","0.0017","16.3883","0.0017","90","","90","","90","","2353","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N3 O5 -","- C24 H24 Br N3 O5 -","- C96 H96 Br4 N12 O20 -","4","1","","Zhao, Mei-Xin; Jing, Lei; Zhou, Hao; Shi, Min","Cinchona Alkaloid Thiourea Mediated Asymmetric Mannich Reaction of Isocyanoacetates with Isatin-Derived Ketimines and Subsequent Cyclization: Enantioselective Synthesis of Spirooxindole Imidazolines","RSC Adv.","2015","","","","","10.1039/C5RA17075C","","","0.71073","MoKα","","0.0747","0.0508","","","0.1121","0.1221","","","","","","0.959","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221981","9.5","0.001","14.8773","0.0016","19.875","0.002","90","","90","","90","","2809","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R)-Methyl 2-((R)-5-bromo-3-((tert-butoxycarbonyl)amino)-1-methyl-2-oxoindolin-3-yl)-2- isocyano-2-phenylacetate","","- C25 H26 Br Cl2 N3 O5 -","- C25 H26 Br Cl2 N3 O5 -","- C100 H104 Br4 Cl8 N12 O20 -","4","1","","Zhao, Mei-Xin; Jing, Lei; Zhou, Hao; Shi, Min","Cinchona Alkaloid Thiourea Mediated Asymmetric Mannich Reaction of Isocyanoacetates with Isatin-Derived Ketimines and Subsequent Cyclization: Enantioselective Synthesis of Spirooxindole Imidazolines","RSC Adv.","2015","","","","","10.1039/C5RA17075C","","","0.71073","MoKα","","0.0714","0.0599","","","0.1654","0.1774","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222083","4.8773","0.0005","13.7541","0.0014","20.395","0.0018","90","","90","","90","","1368.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.1348","0.0382","","","0.071","0.083","","","","","","0.681","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222084","7.4681","0.0003","13.1048","0.0005","13.9995","0.0005","90","","90","","90","","1370.1","0.09","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","","Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko","Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base","CrystEngComm","2015","17","41","7870","","10.1039/C5CE01445J","","","0.71073","MoKα","","0.0921","0.0705","","","0.2196","0.2302","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7222213","10.5786","0.0006","15.8768","0.0008","18.6358","0.0011","90","","90","","90","","3130","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H38 N6 Ni O5 -","- C33 H38 N6 Ni O5 -","- C132 H152 N24 Ni4 O20 -","4","1","","Wang, Xiao-Feng; Yu, Min; Liu, Guang-Xiang","A series of coordination polymers based on varied polycarboxylates and different imidazole-containing ligands: Syntheses, crystal structures and physical properties","RSC Adv.","2015","","","","","10.1039/C5RA16112F","","","0.71073","MoKα","","0.0415","0.0381","","","0.105","0.1081","","","","","","1.057","","","","has coordinates","157793","2020-10-21","18:00:00",""
"7222240","15.7576","0.0002","21.7812","0.0002","40.7465","0.0006","90","","90","","90","","13985","0.3","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C123 H143 Cl6 Fe3 N29 O24 -","- C123 H143 Cl6 Fe3 N29 O24 -","- C492 H572 Cl24 Fe12 N116 O96 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0481","0.0442","","","0.1198","0.1221","","","","","","1.033","","","","has coordinates,has disorder","171041","2020-10-21","18:00:00",""
"7222241","15.9981","0.0002","21.6984","0.0003","40.7994","0.0008","90","","90","","90","","14162.8","0.4","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C120 H140 Cl6 Fe3 N28 O25 -","- C120 H140 Cl6 Fe3 N28 O25 -","- C480 H560 Cl24 Fe12 N112 O100 -","4","1","","Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun","Optical recognition of alkyl nitrile by a homochiral iron(ii) spin crossover host","CrystEngComm","2015","17","41","7956","","10.1039/C5CE01617G","","","0.71073","MoKα","","0.0665","0.0546","","","0.1311","0.1366","","","","","","1.046","","","","has coordinates,has disorder","171041","2020-10-21","18:00:00",""
"7222260","12.166","0.002","13.298","0.002","13.414","0.002","90","","90","","90","","2170.2","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N4 Ni O4 -","- C20 H21 Br N4 Ni O4 -","- C80 H84 Br4 N16 Ni4 O16 -","4","1","","Li, Xiu-Yuan; Liu, Xia-Xia; Yue, Kenfen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu","Solvent-controlled formation of four Ni(II) coordination polymers based on flexible bis(imidazole) ligand: syntheses, structural diversification, properties","RSC Adv.","2015","","","","","10.1039/C5RA15397B","","","0.71073","MoKα","","0.0824","0.0631","","","0.1529","0.1663","","","","","","0.941","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222304","10.4884","0.0002","19.767","0.0003","20.309","0.0003","90","","90","","90","","4210.55","0.12","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H48 Cl2 N2 O2 -","- C49 H48 Cl2 N2 O2 -","- C196 H192 Cl8 N8 O8 -","4","1","","Kwit, Marcin; Rychlewska, Urszula; Prusinowska, Natalia; Bendzińska-Berus, Wioletta; Warżajtis, Beata; Gajewy, Jadwiga; Szymkowiak, Joanna; Jelecki, Maciej","Double helicity induction in chiral bis(triphenylacetamides)","RSC Adv.","2015","","","","","10.1039/C5RA15554A","","","1.54178","CuKα","","0.0452","0.0449","","","0.1355","0.1362","","","","","","1.026","","","","has coordinates,has disorder","158423","2020-10-21","18:00:00",""
"7222345","5.1123","0.0001","13.3078","0.0003","22.6516","0.0006","90","","90","","90","","1541.07","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 I N O3 -","- C14 H20 I N O3 -","- C56 H80 I4 N4 O12 -","4","1","","Alapour, Saba; Ramjugernath, Deresh; Koorbanally, Neil","Copper-Catalysed Cross-Coupling Affected by the Smiles Rearrangement: A New Chapter on Diversifying the Synthesis of Chiral Fluorinated 1,4-Benzoxazine Derivatives","RSC Adv.","2015","","","","","10.1039/C5RA18897K","","x-ray","0.71073","MoKα","","0.0249","0.0241","","","0.0601","0.0605","","","","","","0.941","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7222377","9.973","0.004","12.164","0.004","21.09","0.007","90","","90","","90","","2558.5","1.6","573","2","573","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 O2 S3 -","- C30 H22 O2 S3 -","- C120 H88 O8 S12 -","4","1","","Chen, Shangjun; Li, Wenlong; Li, Xin; Zhu, Weihong","Substitution effect on photochromic properties of benzo[b]thiophene-1,1-dioxide based diarylethenes","RSC Adv.","2015","","","","","10.1039/C5RA18116J","","","0.71073","MoKα","","0.0716","0.0419","","","0.0795","0.0906","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222449","5.761","","7.493","","11.167","","90","","90","","90","","482.048","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Rb2 (Sn O2)","","- O2 Rb2 Sn -","- O2 Rb2 Sn -","- O8 Rb8 Sn4 -","4","1","","Braun, R.M.; Hoppe, R.","Ueber Oxostannate (II), (IV) Zur Kenntnis von Rb2 Sn O2 und K2 Sn O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1982","37","","688","694","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222458","7.5227","0.0004","9.624","0.0006","37.396","0.002","90","","90","","90","","2707.4","0.3","100","2","100","2","","","","","","","leaves from Solanum capsicoides","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 O8.5 -","- C28 H47 O8.5 -","- C112 H188 O34 -","4","1","","Chen, Bo-Wei; Chen, Yih Yang; Lin, You-Cheng; Huang, Chiung-Yao; Chokkalingam, Uvarani; Hwang, Tsong-Long; Chiang, Michael, Y.; Liu, Ho-Yih; Sheu, Jyh-Horng","Capsisteroids A‒F, Withanolides from the Leaves of Solanum capsicoides","RSC Adv.","2015","","","","","10.1039/C5RA12014D","","","1.54178","CuKα","","0.0943","0.0936","","","0.2351","0.2355","","","","","","1.113","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222532","8.799","","22.673","","16.423","","90","","90","","90","","3276.38","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(Te8) (Bi4 Cl14)","","- Bi4 Cl14 Te8 -","- Bi4 Cl14 Te8 -","- Bi16 Cl56 Te32 -","4","1","","Beck, J.; Stankowski, A.","A one-dimensional polymeric form in the polycation (Te8)(2+) in the structure of Te8 (Bi4 Cl14)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","453","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","162195","2020-10-21","18:00:00",""
"7222631","10.4339","","12.9674","","13.2023","","90","","90","","90","","1786.28","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Rb5 (Al O4) (Rb Au)3","","- Al Au3 O4 Rb8 -","- Al Au3 O4 Rb8 -","- Al4 Au12 O16 Rb32 -","4","1","","Mudring, A.V.; Jansen, M.","Rb8 Al O4 Au3 = Rb5 Al O4 * 3(Rb Au) - ein Aluminat-Aurid","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","433","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222716","8.658","","8.84","","15.269","","90","","90","","90","","1168.64","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Na4 Sn Te4 -","- Na4 Sn Te4 -","- Na16 Sn4 Te16 -","4","1","","Eisenmann, B.; Schaefer, H.; Schrod, H.","Ueber das o-Natriumtellurostannat(IV) Na4 Sn Te4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1983","38","","921","923","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222734","6.617","","6.888","","11.973","","90","","90","","90","","545.704","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","K As","","- As K -","- As K -","- As8 K8 -","8","2","","Emmerling, F.; Roehr, C.","Alkalimetall-Arsenide A3 As7 und A As (A = K, Rb, Cs). Synthesen, Kristallstrukturen, Schwingungsspektren","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","963","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222735","6.581","","6.916","","12.047","","90","","90","","90","","548.31","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","Rb As","","- As Rb -","- As Rb -","- As8 Rb8 -","8","2","","Emmerling, F.; Roehr, C.","Alkalimetall-Arsenide A3 As7 und A As (A = K, Rb, Cs). Synthesen, Kristallstrukturen, Schwingungsspektren","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2002","57","","963","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222754","4.0019","","9.188","","17.505","","90","","90","","90","","643.649","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","S Cl2","","- Cl2 S -","- Cl2 S -","- Cl16 S8 -","8","2","","Kniep, R.; Korte, L.; Mootz, D.","Phase relations in the system sulfur-chlorine and crystal structures of S Cl2 and S Cl4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1984","39","","305","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222954","9.192","","9.692","","9.807","","90","","90","","90","","873.694","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","K Al2 (P O4)2 (O D) (D2 O)2","","- Al2 D5 K O11 P2 -","- Al2 D5 K O11 P2 -","- Al8 D20 K4 O44 P8 -","4","1","","Dick, S.; Ohms, G.; Grossmann, G.; Mueller, M.","Aluminiumphosphate mit azentrischen Schicht- und Raumnetzstrukturen aus topologisch verwandten Motiven: 2. K Al2 (P O4)2 (O H) * 2(H2 O)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","1447","1455","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223006","10.914","0.0003","11.4933","0.0005","26.0098","0.001","90","","90","","90","","3262.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 F9 O7 S4 Yb -","- C26 H18 F9 O7 S4 Yb -","- C104 H72 F36 O28 S16 Yb4 -","4","1","","Li, Bing; Li, Hongfeng; Chen, Peng; Sun, Wenbin; Wang, Cheng; Gao, Ting; Yan, Pengfei","Enhancement of near-infrared luminescence of ytterbium in triple-stranded binuclear helicates.","Physical chemistry chemical physics : PCCP","2015","17","45","30510","30517","10.1039/c5cp05888k","","","0.71073","MoKα","","0.0635","0.0519","","","0.1025","0.1091","","","","","","1.102","","","","has coordinates,has disorder","171362","2020-10-21","18:00:00",""
"7223028","16.47","0.003","16.715","0.003","16.782","0.003","90","","90","","90","","4620","1.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H45 Br2 Cl N2 Ni -","- C55 H45 Br2 Cl N2 Ni -","- C220 H180 Br8 Cl4 N8 Ni4 -","4","1","","Fan, Linlin; Yue, Erlin; Du, Shizhen; Guo, Cunyue; Hao, Xiang; Sun, Wen Hua","Enhancing thermo-stability to ethylene polymerization: Synthesis, characterization and the catalytic behavior of 1-(2,4-dibenzhydryl- 6-chlorophenylimino)-2-aryliminoacenaphthylnickel halides","RSC Adv.","2015","","","","","10.1039/C5RA18257C","","","0.71073","MoKα","","0.0574","0.0526","","","0.1146","0.1174","","","","","","1.092","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223032","17.9987","0.0014","18.3601","0.0012","20.6419","0.0016","90","","90","","90","","6821.3","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72 H68 N10 O18 -","- C72 H68 N10 O18 -","- C288 H272 N40 O72 -","4","1","","Soman, Rahul; Subramaniam, Sujatha; Arunkumar, Chellaiah","Protonation and axial ligation intervened fluorescent turn-off sensing of picric acid in freebase and tin(IV) porphyrins","RSC Adv.","2015","","","","","10.1039/C5RA18310C","","","0.71073","MoKα","","0.1423","0.069","","","0.1786","0.2294","","","","","","1.024","","","","has coordinates,has disorder","169764","2020-10-21","18:00:00",""
"7223073","8.779","0.0002","11.64","0.0002","26.194","0.001","90","","90","","90","","2676.7","0.13","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","squaramide based cinchona catalyst","3-(benzylamino)-4-(((1S)-(6-methoxyquinolin-4-yl)((2S,4S,5R)-5-vinylquinuclidin-2-yl)methyl)amino)cyclobut-3-ene-1,2-dione","","- C31 H32 N4 O3 -","- C31 H32 N4 O3 -","- C124 H128 N16 O12 -","4","1","","Soos, Tibor; Csámpai, Antal; Holczbauer, Tamas; Mika, Laszlo T.; Varga, Eszter; Kardos, György","Mechanistic investigations of bifunctional squaramide organocatalyst in asymmetric Michael reaction, observation of stereoselective retro-Michael reaction","RSC Adv.","2015","","","","","10.1039/C5RA19593D","","","1.54178","CuKα","","0.0547","0.0333","","","0.0657","0.09","","","","","","1.192","","","","has coordinates","169794","2020-10-21","18:00:00",""
"7223116","9.9588","0.0006","11.4669","0.0007","47.914","0.003","90","","90","","90","","5471.6","0.6","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 O8 -","- C28 H42 O8 -","- C224 H336 O64 -","8","2","","Devendar, Ponnam; Kumar, Arigari Niranjana; Bethu, M. S.; Zehra, Amtul; Pamanji, R.; Venkateswara Rao, J.; Tiwari, Ashok Kumar; Sridhar, Balasubramanian; Satya Srinivas, K. V. N.; Kumar, J. Kotesh","Highly selective one pot synthesis and biological evaluation of novel 3-(allyloxy)-propylidene acetals of some natural terpenoids","RSC Adv.","2015","5","113","93122","","10.1039/C5RA18517C","","","0.71073","MoKα","","0.1089","0.0834","","","0.1888","0.2049","","","","","","1.107","","","","has coordinates,has disorder","169944","2020-10-21","18:00:00",""
"7223237","7.622","0.003","11.018","0.004","20.912","0.008","90","","90","","90","","1756.2","1.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Yang, Wenchao; Miao, Tao; Li, Pinhua; Wang, Lei","Regioselective synthesis of triazoles via base-promoted oxidative cycloaddition of chalcones with azides in aqueous solution","RSC Adv.","2015","5","116","95833","","10.1039/C5RA16974G","","","0.71073","MoKα","","0.0494","0.0369","","","0.0768","0.0832","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223254","5.8134","0.0004","10.7208","0.0007","19.8086","0.0017","90","","90","","90","","1234.56","0.16","294","2","294","2","","","","","","","synthetic","3","P 21 21 21","P 2ac 2ab","19","","8-cyclopropyl-10-methyl-6,7-dioxaspiro[4.5]decane-8,10-diol","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Novkovic, Luka; Trmcic, Milena; Rodić, Marko V; Bihelovic, Filip; Zlatar, Matija; Matovic, Radomir; Saicic, Radomir Nikola","Synthesis of Endoperoxides by Domino Reactions of Ketones and Molecular Oxygen","RSC Adv.","2015","","","","","10.1039/C5RA13476E","","x-ray","0.71073","MoKα","","0.0688","0.0448","","","0.0982","0.1115","","","","","","1.025","","","","has coordinates","170310","2020-10-21","18:00:00",""
"7223258","16.083","0.0007","16.083","","7.8168","0.0004","90","","90","","90","","2021.92","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 I2 O4 S2 -","- C19 H14 I2 O4 S2 -","- C76 H56 I8 O16 S8 -","4","1","","Peng, Kai; Pei, Tong; Li, Zhaoxiang; Huang, Lili; Xia, Jiangbin","Investigation of Substitution Effect on Poly(bis-3,4-ethylenedioxythiophene methine)s through Solid State Polymerization","RSC Adv.","2015","","","","","10.1039/C5RA21122K","","","0.71073","MoKα","","0.0188","0.0184","","","0.0438","0.044","","","","","","1.05","","","","has coordinates","170312","2020-10-21","18:00:00",""
"7223260","6.0219","0.0006","10.9014","0.001","19.3876","0.0019","90","","90","","90","","1272.7","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Qi, Xueyu; Xiang, Haoyue; Yang, Yuhong; Yang, Chunhao","Synthesis of substituted pyrroles using a silver-catalysed reaction between isocyanoacetates/benzyl isocyanides and chromones.","RSC Adv.","2015","","","","","10.1039/C5RA21915A","","","0.71073","MoKα","","0.036","0.0334","","","0.0887","0.091","","","","","","1.029","","","","has coordinates","170313","2020-10-21","18:00:00",""
"7223284","5.0295","0.0002","8.838","0.0004","24.4547","0.0009","90","","90","","90","","1087.03","0.08","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-(2,3-difluorophenyl)-2,3-difluorobenzamide","","- C13 H7 F4 N O -","- C13 H7 F4 N O -","- C52 H28 F16 N4 O4 -","4","1","","Mondal, Pradip Kumar; Chopra, Deepak","Crystal structure landscape of conformationally flexible organo-fluorine compounds","CrystEngComm","2016","18","1","48","","10.1039/C5CE01721A","","","0.71073","MoKα","","0.0489","0.0455","","","0.1285","0.1311","","","","","","1.089","","","","has coordinates","175974","2020-10-21","18:00:00",""
"7223373","7.7919","0.0013","21.208","0.004","24.416","0.004","90","","90","","90","","4034.8","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 N2 O12 -","- C40 H39 N2 O12 -","- C160 H156 N8 O48 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.1291","0.0853","","","0.2202","0.2477","","","","","","1.033","","","","has coordinates,has disorder","175977","2020-10-21","18:00:00",""
"7223375","7.7836","0.0008","22.234","0.002","24.89","0.003","90","","90","","90","","4307.5","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 N2 O11 -","- C42 H42 N2 O11 -","- C168 H168 N8 O44 -","4","1","","Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji","A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid","CrystEngComm","2016","18","1","123","","10.1039/C5CE01769F","","","0.71073","MoKα","","0.0954","0.0719","","","0.1966","0.2087","","","","","","1.028","","","","has coordinates,has disorder","175977","2020-10-21","18:00:00",""
"7223395","10.042","0.002","17.602","0.004","18.655","0.004","90","","90","","90","","3297.4","1.2","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N5 O2 -","- C42 H33 N5 O2 -","- C168 H132 N20 O8 -","4","1","","Zhao, Hong-Wu; Chen, Xiao-Qin; Yang, Zhao; Tian, Ting; Li, Bo; Meng, Wei; Song, Xiu-Qing; Pang, Hai-Liang","Highly diastereoselective synthesis of imidazolidine-dispirooxindoles via three-component [3 + 2] cycloadditions of isatins, 2-(aminomethyl)pyridine and isatin-based imines","RSC Adv.","2015","5","125","103116","","10.1039/C5RA21995G","","","0.71073","MoKα","","0.0508","0.0458","","","0.1059","0.1092","","","","","","1.093","","","","has coordinates","170653","2020-10-21","18:00:00",""
"7223457","13.80109","0.00015","23.8678","0.0002","27.1204","0.0002","90","","90","","90","","8933.5","0.14","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H41 As8 N12 Ni2.5 O43 V14 -","- C46 H35 As8 N12 Ni2.5 O43 V14 -","- C184 H140 As32 N48 Ni10 O172 V56 -","4","1","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.0497","0.0445","","","0.1273","0.1323","","","","","","1.043","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223458","12.169","0.002","16.057","0.003","40.244","0.008","90","","90","","90","","7864","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 As8 N8 Ni2 O44 V14 -","- C42 H32 As8 N8 Ni2 O44 V14 -","- C168 H128 As32 N32 Ni8 O176 V56 -","4","1","","Guo, Hai-Yang; Li, Zhi-Fang; Zhang, Xiao; Fu, Li-Wei; Hu, Yang-Yang; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing","New self-assembly hybrid compounds based on arsenic‒vanadium clusters and transition metal mixed-organic-ligand complexes","CrystEngComm","2016","18","4","566","","10.1039/C5CE01983D","","","0.71073","MoKα","","0.1534","0.0875","","","0.1915","0.2262","","","","","","1.055","","","","has coordinates","175946","2020-10-21","18:00:00",""
"7223469","10.6261","0.0003","11.4231","0.0003","14.4936","0.0003","90","","90","","90","","1759.28","0.08","291","2","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl2 N4 O Pd -","- C16 H16 Cl2 N4 O Pd -","- C64 H64 Cl8 N16 O4 Pd4 -","4","1","","Yang, Liangru; Yuan, Jinwei; Mao, Pu; Guo, Qi","Chelating Palladium Complexes Containing Pyridine/pyrimidine Hydroxyalkyl Di-functionalized N-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity towards C-H Activation","RSC Adv.","2015","","","","","10.1039/C5RA21183B","","","0.71073","MoKα","","0.0313","0.0279","","","0.0584","0.0605","","","","","","1.049","","","","has coordinates","171461","2020-10-21","18:00:00",""
"7223538","7.3328","0.0003","9.2003","0.0004","19.7779","0.0008","90","","90","","90","","1334.3","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7-chloro-4-(4-methoxyphenyl)-1-methylindoline-2,3-dione","","- C16 H12 Cl N O3 -","- C16 H12 Cl N O3 -","- C64 H48 Cl4 N4 O12 -","4","1","","Hamdy, Aws M.; Al-Masoudi, Najim A.; Pannecouque, Christophe; Rahman, Qamar; Villinger, Alexander; Langer, Peter","Regioselective Suzuki‒Miyaura reactions of 4,7-dichloro-N-methylisatin. Synthesis, anti-HIV activity and modeling study","RSC Adv.","2015","5","130","107360","","10.1039/C5RA16841D","","","0.71073","MoKα","","0.0481","0.0364","","","0.08","0.0864","","","","","","1.031","","","","has coordinates","171598","2020-10-21","18:00:00",""
"7223678","7.342","","9.894","","16.274","","90","","90","","90","","1182.17","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S4 N3) Se Cl5","","- Cl5 N3 S4 Se -","- Cl5 N3 S4 Se -","- Cl20 N12 S16 Se4 -","4","1","","Stammler, H.G.; Weiss, J.","Synthese und Kristallstruktur von (S4N3)2Se2Cl10 , (S4N3)2Se2Cl6 und ((S4N3)SeCl5)n","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1989","44","","1483","1487","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223744","8.3406","0.0002","15.9601","0.0004","16.1633","0.0004","90","","90","","90","","2151.61","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Co N16 -","- C18 H13 Co N16 -","- C72 H52 Co4 N64 -","4","1","","Qiu, Yan-Xuan; Miao, Yu; Wang, Zi-Zhou; Li, Zhi-Xin; Ouyang, Zhi-Jian; Yang, Liu; Lin, Wen-Ning; Feng, Wei-Jin; Dong, Wen","Syntheses, structures, electrochemical and optical properties of four transition metal complexes based on the 1-triazolyl-3-benzimidazolyltriazene ligand","RSC Adv.","2016","","","","","10.1039/C5RA21057G","","","0.71073","MoKα","","0.0713","0.0406","","","0.069","0.077","","","","","","0.989","","","","has coordinates","173562","2020-10-21","18:00:00",""
"7223761","3.8011","0.0002","15.9753","0.0011","18.0272","0.0009","90","","90","","90","","1094.68","0.11","120","0.1","120","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dihydroxyanthraquinone lithium hydrate","","- C14 H9 Li O5 -","- C14 H9 Li O5 -","- C56 H36 Li4 O20 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0638","0.0572","","","0.1404","0.1488","","","","","","1.049","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223762","3.6746","0.0002","16.1112","0.0011","18.1111","0.0014","90","","90","","90","","1072.22","0.13","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-dihydroxyanthraquinone lithium hydrate","","- C14 H7.5 Li O4.25 -","- C14 H7.4 Li O4.2 -","- C56 H29.6 Li4 O16.8 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71075","MoKα","","0.1969","0.0829","","","0.1803","0.2168","","","","","","1.065","","","","has coordinates","173634","2020-10-21","18:00:00",""
"7223763","4.8535","0.0003","13.0952","0.001","18.9644","0.0012","90","","90","","90","","1205.33","0.14","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Lithium 1-hydroxy-4-nitroanthraquinone","","- C14 H8 Li N O6 -","- C14 H8 Li N O6 -","- C56 H32 Li4 N4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","1.54184","CuKα","","0.0514","0.0466","","","0.124","0.1285","","","","","","1.0713","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7223764","4.8953","0.0004","13.2668","0.001","19.1081","0.0014","90","","90","","90","","1240.97","0.17","293.15","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Lithium 1-Hydroxy-4-nitroanthraquinone","","- C14 H8 Li N O6 -","- C14 H8 Li N O6 -","- C56 H32 Li4 N4 O24 -","4","1","","Tominaka, Satoshi; Yeung, Hamish H.-M.; Henke, Sebastian; Cheetham, Anthony K.","Coordination environments and π-conjugation in dense lithium coordination polymers","CrystEngComm","2016","18","3","398","","10.1039/C5CE01658D","","","0.71075","MoKα","","0.1606","0.07","","","0.1328","0.1745","","","","","","1.0796","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7223799","5.8253","0.0007","8.3302","0.0005","42.609","0.002","90","","90","","90","","2067.6","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O6 S -","- C23 H26 O6 S -","- C92 H104 O24 S4 -","4","1","","Pal, Kumar Bhaskar; Sarkar, Vikramjit; Mukhopadhyay, Balaram","Hydrogen bonding-induced conformational change in a crystalline sugar derivative","CrystEngComm","2016","18","7","1156","","10.1039/C5CE01893E","","x-ray","0.71073","MoKα","","0.0582","0.0527","","","0.1081","0.1103","","","","","","1.153","","","","has coordinates","177736","2020-10-21","18:00:00",""
"7223802","9.5732","0.0013","9.6932","0.0013","14.0706","0.0018","90","","90","","90","","1305.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 N2 O -","- C15 H16 N2 O -","- C60 H64 N8 O4 -","4","1","","Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.","Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect","RSC Adv.","2016","","","","","10.1039/C5RA20012A","","","0.71073","MoKα","","0.0885","0.0671","","","0.1611","0.1711","","","","","","1.236","","","","has coordinates","173682","2020-10-21","18:00:00",""
"7223803","6.391","0.003","13.847","0.007","14.418","0.007","90","","90","","90","","1275.9","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O -","- C13 H19 N3 O -","- C52 H76 N12 O4 -","4","1","","Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.","Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect","RSC Adv.","2016","","","","","10.1039/C5RA20012A","","","0.71073","MoKα","","0.1023","0.0532","","","0.1232","0.1493","","","","","","1.015","","","","has coordinates,has disorder","173682","2020-10-21","18:00:00",""
"7223804","5.9755","0.0003","13.1272","0.0008","14.4992","0.0008","90","","90","","90","","1137.34","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 N3 O -","- C11 H17 N3 O -","- C44 H68 N12 O4 -","4","1","","Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.","Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect","RSC Adv.","2016","","","","","10.1039/C5RA20012A","","","0.71073","MoKα","","0.0319","0.0306","","","0.0812","0.0824","","","","","","1.045","","","","has coordinates,has disorder","173682","2020-10-21","18:00:00",""
"7223805","9.3267","0.0014","9.8628","0.0015","14.061","0.002","90","","90","","90","","1293.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","1","","Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.","Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect","RSC Adv.","2016","","","","","10.1039/C5RA20012A","","","0.71073","MoKα","","0.0322","0.0305","","","0.0757","0.0766","","","","","","1.089","","","","has coordinates,has disorder","173682","2020-10-21","18:00:00",""
"7223806","9.624","0.002","10.246","0.003","13.768","0.003","90","","90","","90","","1357.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N3 O -","- C14 H21 N3 O -","- C56 H84 N12 O4 -","4","1","","Gawade, Rupesh Liladhar; Chakravarty, Debamitra K.; Debgupta, Joyashish; Sangtani, Ekta; Narawade, Santosh; Gonnade, Rajesh G.; Puranik, Vedavati G.; Deobagkar, Deepti D.","Comparative Study of dG Affinity vs.DNA Methylation Modulating Properties of Side Chain Derivatives of Procainamide: Insight into its DNA Hypomethylating Effect","RSC Adv.","2016","","","","","10.1039/C5RA20012A","","","0.71073","MoKα","","0.079","0.0643","","","0.1486","0.1626","","","","","","1.004","","","","has coordinates","173682","2020-10-21","18:00:00",""
"7223835","8.9295","0.0002","15.865","0.0004","21.5604","0.0007","90","","90","","90","","3054.39","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H42 N4 O7 -","- C27 H42 N4 O7 -","- C108 H168 N16 O28 -","4","1","","Podder, Debasish; Sasmal, Supriya; Maji, Krishnendu; Haldar, Debasish","Supramolecular tryptophan-zipper forms a tripeptide as a regular proton transporter","CrystEngComm","2016","18","22","4109","","10.1039/C5CE02005K","","x-ray","0.71073","MoKα","","0.0416","0.0384","","","0.1045","0.1062","","","","","","1.152","","","","has coordinates","185173","2020-10-21","18:00:00",""
"7223849","8.1634","0.0003","8.9539","0.0003","14.4292","0.0005","90","","90","","90","","1054.69","0.06","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cl N -","- C10 H20 Cl N -","- C40 H80 Cl4 N4 -","4","1","","Clough, Matthew T.; Geyer, Karolin; Hunt, Patricia A.; McIntosh, Alastair J. S.; Rowe, Rebecca; Welton, Tom; White, Andrew J. P.","Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten salts","Phys. Chem. Chem. Phys.","2016","","","","","10.1039/C5CP07209C","","","0.71073","MoKα","","0.0467","0.0422","","","0.1053","0.1094","","","","","","1.076","","","","has coordinates","174381","2020-10-21","18:00:00",""
"7223931","11.48","0.002","14.798","0.003","25.295","0.005","90","","90","","90","","4297.1","1.4","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H62 N2 O2 Zr -","- C47 H62 N2 O2 Zr -","- C188 H248 N8 O8 Zr4 -","4","1","","Zhang, Yu; Sun, Qiu; Wang, Yaorong; Yuan, Dan; Yao, Yingming; Shen, Qi","Intramolecular hydroamination reactions catalyzed by zirconium complexes bearing bridged bis(phenolato) ligands","RSC Adv.","2016","","","","","10.1039/C5RA23270H","","","0.71073","MoKα","","0.0523","0.0475","","","0.1213","0.1262","","","","","","1.028","","","","has coordinates,has disorder","174569","2020-10-21","18:00:00",""
"7223939","5.779","0.002","6.031","0.002","12.318","0.004","90","","90","","90","","429.3","0.2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa","Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer","CrystEngComm","2016","18","14","2404","","10.1039/C5CE02307F","","","0.71075","MoKα","","0.045","0.0421","","","0.0977","0.1012","","","","","","1.106","","","","has coordinates","181620","2020-10-21","18:00:00",""
"7223940","5.7772","0.0015","6.035","0.0017","12.316","0.003","90","","90","","90","","429.4","0.19","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-alanine","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa","Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer","CrystEngComm","2016","18","14","2404","","10.1039/C5CE02307F","","","0.71075","MoKα","","0.1246","0.0991","","","0.2703","0.3083","","","","","","1.06","","","","has coordinates","181620","2020-10-21","18:00:00",""
"7223946","5.837","0.0004","9.2077","0.0006","25.6068","0.0016","90","","90","","90","","1376.25","0.16","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Br N O5 -","- C12 H14 Br N O5 -","- C48 H56 Br4 N4 O20 -","4","1","","Lin, Chia-Hsin; Hong, Bor-Cherng; Lee, Gene-Hsiang","Asymmetric synthesis of functionalized pyrrolizidines by an organocatalytic and pot-economy strategy","RSC Adv.","2016","6","10","8243","","10.1039/C5RA25103F","","","0.71073","MoKα","","0.0428","0.0342","","","0.0814","0.0961","","","","","","1.117","","","","has coordinates","174675","2020-10-21","18:00:00",""
"7223947","7.6652","0.0006","7.8614","0.0006","20.6346","0.0015","90","","90","","90","","1243.42","0.16","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl N O -","- C14 H16 Cl N O -","- C56 H64 Cl4 N4 O4 -","4","1","","Lin, Chia-Hsin; Hong, Bor-Cherng; Lee, Gene-Hsiang","Asymmetric synthesis of functionalized pyrrolizidines by an organocatalytic and pot-economy strategy","RSC Adv.","2016","6","10","8243","","10.1039/C5RA25103F","","","0.71073","MoKα","","0.0755","0.0605","","","0.1176","0.1231","","","","","","1.109","","","","has coordinates","174675","2020-10-21","18:00:00",""
"7223954","7.9187","0.0011","16.357","0.002","28.737","0.004","90","","90","","90","","3722.2","0.9","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(SFc,SFc)-11a","","","- C46 H39 Fe2 N P2 -","- C46 H39 Fe2 N P2 -","- C184 H156 Fe8 N4 P8 -","4","1","","Zirakzadeh, Afrooz -; Karl, Kirchner; Roller, Alexander; Stöger, Berthold; Carvalho, Maria de Deus; Ferreira, Liliana","Synthesis, coordination behavior and structural features of chiral iron(II) PNP diferrocene complexes","RSC Adv.","2016","","","","","10.1039/C5RA26493F","","","0.71073","MoKα","","0.1312","0.0673","","","0.1082","0.1326","","","","","","0.987","","","","has coordinates","174677","2020-10-21","18:00:00",""
"7223962","6.5585","0.0012","7.047","0.0013","38.869","0.007","90","","90","","90","","1796.4","0.6","296","2","296","2","","","","","","","Biotogether","6","P 21 21 21","P 2ac 2ab","19","cAMPNa ; CYCLIC AMP SODIUM SALT;3',5'-CYCLIC AMP SODIUM SALT","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","","- C10 H21 N5 Na O11 P -","- C10 H21 N5 Na O11 P -","- C40 H84 N20 Na4 O44 P4 -","4","1","","Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie","Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents","CrystEngComm","2016","18","10","1699","","10.1039/C6CE00034G","","","0.71073","MoKα","","0.0516","0.0499","","","0.1381","0.1397","","","","","","1.098","","","","has coordinates","177741","2020-10-21","18:00:00",""
"7223963","6.5021","0.001","7.0943","0.0011","39.198","0.006","90","","90","","90","","1808.1","0.5","296","2","296","2","","","","","","","nucleic acid degradation product","6","P 21 21 21","P 2ac 2ab","19","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","ADENOSINE-3',5'-CYCLIC PHOSPHATE SODIUM","","- C11 H21 N5 Na O10 P -","- C11 H21 N5 Na O10 P -","- C44 H84 N20 Na4 O40 P4 -","4","1","","Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie","Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents","CrystEngComm","2016","18","10","1699","","10.1039/C6CE00034G","","","0.71073","MoKα","","0.0505","0.048","","","0.1266","0.1279","","","","","","1.16","","","","has coordinates","177741","2020-10-21","18:00:00",""
"7223974","9.3387","0.0002","13.9027","0.0004","16.555","0.0005","90","","90","","90","","2149.39","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diltiazem","","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.1146","0.0638","","","0.0981","0.113","","","","","","1.014","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223975","9.9411","0.0004","10.7606","0.0003","28.5926","0.0011","90","","90","","90","","3058.61","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Dilteazem acetylsalicylate hydrate","","","- C31 H36 N2 O9 S -","- C31 H36 N2 O9 S -","- C124 H144 N8 O36 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.2268","0.0984","","","0.1185","0.1501","","","","","","1.077","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7223977","5.8962","0.0001","9.032","0.0002","50.5074","0.001","90","","90","","90","","2689.75","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diltiazem L-Malate","","","- C26 H32 N2 O9 S -","- C26 H32 N2 O9 S -","- C104 H128 N8 O36 S4 -","4","1","","Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A.","Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts","CrystEngComm","2016","18","7","1235","","10.1039/C5CE01204J","","","0.71073","MoKα","","0.1467","0.0637","","","0.1021","0.1238","","","","","","0.999","","","","has coordinates","177735","2020-10-21","18:00:00",""
"7224013","18.4849","0.0002","26.8834","0.0006","31.5917","0.0008","90","","90","","90","","15699.1","0.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C136 H104 Ag5 N21 O41 S6 U4 -","- C136 H96 Ag5 N21 O41 S6 U4 -","- C544 H384 Ag20 N84 O164 S24 U16 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate","CrystEngComm","2016","18","9","1550","","10.1039/C5CE02294K","","","0.71073","MoKα","","0.0592","0.0446","","","0.1066","0.1107","","","","","","1.025","","","","has coordinates","177763","2020-10-21","18:00:00",""
"7224051","7.4584","0.0003","8.9425","0.0004","31.2167","0.0013","90","","90","","90","","2082.05","0.15","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Phosphonoselenoic acid ester","","- C24 H21 O2 P Se -","- C24 H21 O2 P Se -","- C96 H84 O8 P4 Se4 -","4","1","","Murai, Toshiaki; Maekawa, Yuuki; Hirai, Yuuki; Kuwabara, Kazuma; Minoura, Mao","Phosphonoselenoic Acid Esters from the Reaction between Phosphoroselenoyl Chlorides and Grignard Reagents: Synthetic and Stereochemical Aspects","RSC Adv.","2016","","","","","10.1039/C6RA00318D","","","0.71073","MoKα","","0.0255","0.0248","","","0.0662","0.0664","","","","","","1.136","","","","has coordinates","175268","2020-10-21","18:00:00",""
"7224134","4.6985","0.0004","16.2304","0.0013","19.7042","0.0015","90","","90","","90","","1502.6","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 N2 O S -","- C20 H12 N2 O S -","- C80 H48 N8 O4 S4 -","4","1","","Goswami, Shyamaprosad; Das, Avijit Kumar; Quah, Ching Kheng; Fun, Hoong Kun","Relay recognition of F¯ and a Nerve-agent Mimic diethyl cyano- phosphonate in mixed aqueous media: Discrimination of diethyl cyanophosphonate and diethyl chlorophosphate by cyclization induced fluorescence enhancement","RSC Adv.","2016","","","","","10.1039/C5RA24392K","","","0.71073","MoKα","","0.041","0.0335","","","0.0781","0.0835","","","","","","1.026","","","","has coordinates","175827","2020-10-21","18:00:00",""
"7224153","14.674","0.009","9.779","0.006","8.412","0.005","90","","90","","90","","1207.1","1.3","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H13 Cl N6 S2 -","- C5 H13 Cl N6 S2 -","- C20 H52 Cl4 N24 S8 -","4","1","","Liu, Yu-Ling; Wang, Yu-Feng; Zhang, Wen","Switchable dielectric constant in an inclusion compound bis(thiourea) imidazolium chloride","CrystEngComm","2016","18","11","1958","","10.1039/C5CE02364E","","","0.71073","MoKα","","0.0393","0.0366","","","0.0806","0.0822","","","","","","1.021","","","","has coordinates","181610","2020-10-21","18:00:00",""
"7224173","7.361","0.002","15.645","0.003","26.957","0.005","90","","90","","90","","3104.4","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N4 Ni O17 -","- C24 H16 N4 Ni O9 -","- C96 H64 N16 Ni4 O36 -","4","1","","Chen, Li-Zhuang; Pan, Qi-Jian; Cao, Xing-Xing; Wang, Fang-Ming","Crystal structure, magnetism, and dielectric properties based on the axially chiral ligand 2,2′-dinitro-4,4′-biphenyldicarboxylic acid","CrystEngComm","2016","18","11","1944","","10.1039/C5CE02426A","","","0.71073","MoKα","","0.0881","0.0537","","","0.1093","0.1157","","","","","","1.152","","","","has coordinates","181606","2020-10-21","18:00:00",""
"7224188","5.7002","0.0004","13.2911","0.0016","16.316","0.0017","90","","90","","90","","1236.1","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(Z)-3-benzylidenebenzo[c]thiophene-1(3H)-thione","","- C15 H10 S2 -","- C15 H10 S2 -","- C60 H40 S8 -","4","1","","Giofrè, Salvatore V.; Romeo, Roberto; Mancuso, Raffaella; Cicero, Nicola; Corriero, Nicola; Chiacchio, Ugo; Romeo, Giovanni; Gabriele, Bartolo","A new microwave-assisted thionation-heterocyclization process leading to benzo[c]thiophene-1(3H)-thione and 1H-isothiochromene-1-thione derivatives","RSC Adv.","2016","","","","","10.1039/C6RA01329E","","","0.71073","MoKα","","0.0846","0.0481","","","0.1037","0.1228","","","","","","0.969","","","","has coordinates","176325","2020-10-21","18:00:00",""
"7224245","8.3103","0.0003","9.0566","0.0005","20.1313","0.001","90","","90","","90","","1515.14","0.13","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cu N5 O -","- C16 H19 Cu N5 O -","- C64 H76 Cu4 N20 O4 -","4","1","","shaw, Bikash kumar; Das, Mithun; Bhattacharyya, Anik; Ghosh, Biswa Nath; Roy, Susmita; Mandal, Prabhat; Rissanen, Kari; Chattopadhyay, Shouvik; saha, Shyamal Kumar","Field-induced Ferromagnetism due to Magneto-striction in 1-D helical chain","RSC Adv.","2016","","","","","10.1039/C5RA27040E","","","0.71073","MoKα","","0.0561","0.0439","","","0.0821","0.0862","","","","","","1.074","","","","has coordinates","176425","2020-10-21","18:00:00",""
"7224246","6.9439","0.0002","7.7514","0.0002","27.556","0.0008","90","","90","","90","","1483.2","0.07","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cu N3 O2 -","- C16 H17 Cu N3 O2 -","- C64 H68 Cu4 N12 O8 -","4","1","","shaw, Bikash kumar; Das, Mithun; Bhattacharyya, Anik; Ghosh, Biswa Nath; Roy, Susmita; Mandal, Prabhat; Rissanen, Kari; Chattopadhyay, Shouvik; saha, Shyamal Kumar","Field-induced Ferromagnetism due to Magneto-striction in 1-D helical chain","RSC Adv.","2016","","","","","10.1039/C5RA27040E","","","0.71073","MoKα","","0.0261","0.0243","","","0.0592","0.0605","","","","","","1.074","","","","has coordinates","176425","2020-10-21","18:00:00",""
"7224247","8.385","0.002","9.168","0.003","20.215","0.006","90","","90","","90","","1554","0.8","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cu N5 O -","- C16 H19 Cu N5 O -","- C64 H76 Cu4 N20 O4 -","4","1","","shaw, Bikash kumar; Das, Mithun; Bhattacharyya, Anik; Ghosh, Biswa Nath; Roy, Susmita; Mandal, Prabhat; Rissanen, Kari; Chattopadhyay, Shouvik; saha, Shyamal Kumar","Field-induced Ferromagnetism due to Magneto-striction in 1-D helical chain","RSC Adv.","2016","","","","","10.1039/C5RA27040E","","","0.71073","MoKα","","0.0314","0.0277","","","0.0665","0.0684","","","","","","1.049","","","","has coordinates","176425","2020-10-21","18:00:00",""
"7224248","8.3537","0.0003","9.1463","0.0004","20.1898","0.0008","90","","90","","90","","1542.61","0.11","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cu N5 O -","- C16 H19 Cu N5 O -","- C64 H76 Cu4 N20 O4 -","4","1","","shaw, Bikash kumar; Das, Mithun; Bhattacharyya, Anik; Ghosh, Biswa Nath; Roy, Susmita; Mandal, Prabhat; Rissanen, Kari; Chattopadhyay, Shouvik; saha, Shyamal Kumar","Field-induced Ferromagnetism due to Magneto-striction in 1-D helical chain","RSC Adv.","2016","","","","","10.1039/C5RA27040E","","","0.71073","MoKα","","0.0438","0.0333","","","0.0734","0.0779","","","","","","1.006","","","","has coordinates","176425","2020-10-21","18:00:00",""
"7224249","8.3629","0.0015","9.1293","0.0017","20.174","0.004","90","","90","","90","","1540.2","0.5","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cu N5 O -","- C16 H19 Cu N5 O -","- C64 H76 Cu4 N20 O4 -","4","1","","shaw, Bikash kumar; Das, Mithun; Bhattacharyya, Anik; Ghosh, Biswa Nath; Roy, Susmita; Mandal, Prabhat; Rissanen, Kari; Chattopadhyay, Shouvik; saha, Shyamal Kumar","Field-induced Ferromagnetism due to Magneto-striction in 1-D helical chain","RSC Adv.","2016","","","","","10.1039/C5RA27040E","","","0.71073","MoKα","","0.0306","0.0261","","","0.0641","0.0661","","","","","","1.023","","","","has coordinates","176425","2020-10-21","18:00:00",""
"7224250","7.032","0.012","7.827","0.014","27.76","0.05","90","","90","","90","","1528","5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cu N3 O2 -","- C16 H17 Cu N3 O2 -","- C64 H68 Cu4 N12 O8 -","4","1","","shaw, Bikash kumar; Das, Mithun; Bhattacharyya, Anik; Ghosh, Biswa Nath; Roy, Susmita; Mandal, Prabhat; Rissanen, Kari; Chattopadhyay, Shouvik; saha, Shyamal Kumar","Field-induced Ferromagnetism due to Magneto-striction in 1-D helical chain","RSC Adv.","2016","","","","","10.1039/C5RA27040E","","","0.71073","MoKα","","0.0331","0.0273","","","0.0745","0.0894","","","","","","0.856","","","","has coordinates","176425","2020-10-21","18:00:00",""
"7224427","14.6","0.001","17.903","0.001","23.642","0.002","90","","90","","90","","6179.6","0.8","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H88 O16 P2 -","- C64 H73 O16 P2 -","- C256 H292 O64 P8 -","4","1","","Barboza, T.; Pinalli, R.; Massera, C.; Dalcanale, E.","Diphosphonate cavitands as molecular cups forl-lactic acid","CrystEngComm","2016","18","26","4958","","10.1039/C6CE00270F","","","0.71069","MoKα","","0.0947","0.0754","","","0.2274","0.2523","","","","","","0.999","","","","has coordinates","185193","2020-10-21","18:00:00",""
"7224428","19.079","0.001","21.608","0.001","26.346","0.002","90","","90","","90","","10861.4","1.1","190","2","190","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H68 O13 P2 -","- C61 H68 O13 P2 -","- C488 H544 O104 P16 -","8","2","","Barboza, T.; Pinalli, R.; Massera, C.; Dalcanale, E.","Diphosphonate cavitands as molecular cups forl-lactic acid","CrystEngComm","2016","18","26","4958","","10.1039/C6CE00270F","","","0.71069","MoKα","","0.1458","0.0824","","","0.2204","0.2711","","","","","","1.011","","","","has coordinates","185193","2020-10-21","18:00:00",""
"7224434","10.989","0.002","11.526","0.002","14.98","0.003","90","","90","","90","","1897.4","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Er2 N O16 P -","- C10 H14 Er2 N O16 P -","- C40 H56 Er8 N4 O64 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0161","0.0157","","","0.0396","0.0397","","","","","","1.073","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224435","10.9138","0.0003","11.4793","0.0003","14.9124","0.0003","90","","90","","90","","1868.27","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N O16 P Tm2 -","- C10 H14 N O16 P Tm2 -","- C40 H56 N4 O64 P4 Tm8 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0338","0.033","","","0.0832","0.0839","","","","","","1.049","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224436","10.901","0.002","11.447","0.002","14.89","0.003","90","","90","","90","","1858","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N O16 P Yb2 -","- C10 H14 N O16 P Yb2 -","- C40 H56 N4 O64 P4 Yb8 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0247","0.0234","","","0.0463","0.0466","","","","","","1.147","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224437","10.8491","0.0002","11.4465","0.0002","14.8471","0.0003","90","","90","","90","","1843.78","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Lu2 N O16 P -","- C10 H14 Lu2 N O16 P -","- C40 H56 Lu8 N4 O64 P4 -","4","1","","Wang, Guang-Tu; Zhang, Jing-Chuan; Tang, Zeng-Yi; Zhou, Heng-Tai; Zhang, Li; Yang, Rui-Wu; Zou, Ping; Yu, Ying-Hui; Gao, Jin-Sheng; Hou, Guang-Feng","Synthesis, structures, luminescence and magnetism of nine lanthanide complexes with three-dimensional frameworks constructed from 2-(pyridyl-N-oxide)methylphosphonic acid and oxalic acid","CrystEngComm","2016","18","14","2437","","10.1039/C6CE00023A","","","0.71073","MoKα","","0.0276","0.0257","","","0.0527","0.0535","","","","","","1.063","","","","has coordinates","181624","2020-10-21","18:00:00",""
"7224447","8.5167","0.0004","8.9163","0.0004","22.2579","0.001","90","","90","","90","","1690.21","0.13","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Cd N4 O2 S2 -","- C14 H12 Cd N4 O2 S2 -","- C56 H48 Cd4 N16 O8 S8 -","4","1","","Nawrot, I.; Machura, B.; Kruszynski, R.","Exploration of Cd(ii)/pseudohalide/di-2-pyridyl ketone chemistry ‒ rational synthesis, structural analysis and photoluminescence","CrystEngComm","2016","18","15","2650","","10.1039/C6CE00112B","","","0.71073","MoKα","","0.0346","0.0284","","","0.0592","0.0612","","","","","","1.063","","","","has coordinates","182642","2020-10-21","18:00:00",""
"7224466","7.44984","0.00014","11.4893","0.0002","21.3736","0.0004","90","","90","","90","","1829.44","0.06","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-oxo-6S-hydroxycoronaridine","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","","Liu, Zhi-Wen; Huang, Xiao-Jun; Xiao, Han-Lin; Liu, Guo; Zhang, Jian; Shi, Lei; Jiang, Renwang; Zhang, Xiao-Qi; Ye, Wen-Cai","New Iboga-Type Alkaloids from Ervatamia hainanensis","RSC Adv.","2016","","","","","10.1039/C6RA00185H","","","1.54184","CuKα","","0.0264","0.0262","","","0.0676","0.0678","","","","","","1.084","","","","has coordinates","177126","2020-10-21","18:00:00",""
"7224467","8.78022","0.00019","13.8217","0.0004","15.0748","0.0004","90","","90","","90","","1829.44","0.08","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-oxo-7S-coronaridine hydroxyindolenine","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","","Liu, Zhi-Wen; Huang, Xiao-Jun; Xiao, Han-Lin; Liu, Guo; Zhang, Jian; Shi, Lei; Jiang, Renwang; Zhang, Xiao-Qi; Ye, Wen-Cai","New Iboga-Type Alkaloids from Ervatamia hainanensis","RSC Adv.","2016","","","","","10.1039/C6RA00185H","","","1.54184","CuKα","","0.0305","0.0289","","","0.0703","0.0717","","","","","","1.066","","","","has coordinates","177126","2020-10-21","18:00:00",""
"7224471","5.764","0.003","13.551","0.007","15.03","0.007","90","","90","","90","","1174","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N O -","- C15 H13 N O -","- C60 H52 N4 O4 -","4","1","","Pan, Gao-Fei; Su, Li; Zhang, Yan-Lei; Guo, Shi-Huan; Wang, Yong-Qiang","Organocatalytic One-pot Asymmetric Synthesis of 2-Aryl-2,3-dihydro-4-quinolones","RSC Adv.","2016","","","","","10.1039/C6RA01247G","","","0.71073","MoKα","","0.1279","0.0699","","","0.1557","0.1822","","","","","","1.103","","","","has coordinates","177173","2020-10-21","18:00:00",""
"7224524","7.0831","0.0002","10.0442","0.0002","28.1976","0.0005","90","","90","","90","","2006.09","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","S-(‒)-5,6,8-trihydroxy-4-(1?-hydroxyethyl)isocoumarin","","- C11 H10 O6 -","- C11 H10 O6 -","- C88 H80 O48 -","8","2","","Chen, Senhua; Liu, Yayue; Liu, Zhaoming; Cai, Ruilin; Lu, Yongjun; Huang, Xishan; She, Zhi-Gang","Isocoumarins and Benzofurans from the Mangrove Endophytic Fungus Talaromyces amestolkiae Possessing α-Glucosidase Inhibitory and Antibacterial Activities","RSC Adv.","2016","","","","","10.1039/C6RA02566H","","","1.54178","CuKα","","0.0312","0.0286","","","0.0722","0.0745","","","","","","1.054","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7224594","10.2273","0.0006","10.6788","0.0007","11.1734","0.0007","90","","90","","90","","1220.31","0.13","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N5 -","- C13 H15 N5 -","- C52 H60 N20 -","4","1","","Afraj, Shakil N.; Chen, Chinpiao; Lee, Gene-Hsiang","Synthesis of Decahydropyrrolo[1,2-a]tetrazolo[1, 5-d]pyrazines via Strecker Reaction and Intramolecular [3+2] Cycloaddition","RSC Adv.","2016","","","","","10.1039/C6RA00063K","","","0.71073","MoKα","","0.0463","0.041","","","0.0931","0.0959","","","","","","1.049","","","","has coordinates","178163","2020-10-21","18:00:00",""
"7224627","8.2411","0.0001","14.0973","0.0002","16.1938","0.0002","90","","90","","90","","1881.35","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C88 H80 N8 O8 -","4","1","","Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.","Homochiral crystal generation via sequential dehydration and Viedma ripening","CrystEngComm","2016","18","23","4277","","10.1039/C6CE00119J","","","1.54178","CuKα","","0.03","0.0291","","","0.071","0.0718","","","","","","1.06","","","","has coordinates","185280","2020-10-21","18:00:00",""
"7224639","6.132","0.002","14.536","0.005","19.327","0.007","90","","90","","90","","1722.7","1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O S -","- C23 H17 N O S -","- C92 H68 N4 O4 S4 -","4","1","","Baig, Noorullah; Madduluri, Vimal Kumar; Sah, Ajay K.","Selective oxidation of organic sulfides to sulfoxides using sugar derived cis-dioxo molybdenum(vi) complexes: kinetic and mechanistic studies","RSC Adv.","2016","6","33","28015","","10.1039/C6RA01087C","","","0.71075","MoKα","","0.1416","0.091","","","0.2135","0.2693","","","","","","1.018","","","","has coordinates","178327","2020-10-21","18:00:00",""
"7224640","5.626","0.001","12.886","0.002","24.399","0.005","90","","90","","90","","1768.8","0.6","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N O2 S -","- C23 H17 N O2 S -","- C92 H68 N4 O8 S4 -","4","1","","Baig, Noorullah; Madduluri, Vimal Kumar; Sah, Ajay K.","Selective oxidation of organic sulfides to sulfoxides using sugar derived cis-dioxo molybdenum(vi) complexes: kinetic and mechanistic studies","RSC Adv.","2016","6","33","28015","","10.1039/C6RA01087C","","","0.71075","MoKα","","0.0885","0.0627","","","0.1231","0.1418","","","","","","1.083","","","","has coordinates","178327","2020-10-21","18:00:00",""
"7224681","7.997","0.003","11.806","0.004","17.95","0.005","90","","90","","90","","1694.7","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","chiral (trifluoromethyl)dihydrofuranone","(4S,5S)-5-benzoyl-4-phenyl-5-(trifluoromethyl)dihydrofuran-2(3H)-one","","- C18 H12 Cl F3 O3 -","- C18 H12 Cl F3 O3 -","- C72 H48 Cl4 F12 O12 -","4","1","","He, Xiang-Hong; Yang, Lei; Huang, Wei; Zhao, Qian; Pan, Xiao-Li; Jiang, Dao-Feng; Yang, Ming-Cheng; Peng, Cheng; Han, Bo","Catalytic cross-benzoin/Michael/acetalization cascade for asymmetric synthesis of trifluoromethylated γ-butyrolactones","RSC Adv.","2016","6","34","28960","","10.1039/C6RA03571J","","","0.71073","MoKα","","0.0843","0.0442","","","0.0916","0.1062","","","","","","1.032","","","","has coordinates","178870","2020-10-21","18:00:00",""
"7224713","8.6678","0.0013","16.756","0.003","18.108","0.003","90","","90","","90","","2630","0.8","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Piv-Aib-L-Pro-SAnt-NH-IBu","","- C24 H38 N4 O5 S -","- C24 H38 N4 O5 S -","- C96 H152 N16 O20 S4 -","4","1","","Jedhe, Ganesh S.; Vijayadas, Kuruppanthara N.; Kotmale, Amol; Sangtani, Ekta; Shinde, Dinesh R.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, G. J.","Residue dependent hydrogen bonding preferences in orthanilic acid-based short peptide β-turn motifs","RSC Adv.","2016","","","","","10.1039/C6RA05684A","","","0.71073","MoKα","","0.0945","0.0656","","","0.1434","0.1696","","","","","","1.041","","","","has coordinates","179725","2020-10-21","18:00:00",""
"7224716","11.0729","0.0004","11.2306","0.0004","23.8209","0.0009","90","","90","","90","","2962.26","0.19","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Piv-L-tert-Leu-L-Pro-SAnt-NH-IBu","","- C26 H42 N4 O5 S -","- C26 H42 N4 O5 S -","- C104 H168 N16 O20 S4 -","4","1","","Jedhe, Ganesh S.; Vijayadas, Kuruppanthara N.; Kotmale, Amol; Sangtani, Ekta; Shinde, Dinesh R.; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, G. J.","Residue dependent hydrogen bonding preferences in orthanilic acid-based short peptide β-turn motifs","RSC Adv.","2016","","","","","10.1039/C6RA05684A","","","0.71073","MoKα","","0.0589","0.0488","","","0.114","0.1199","","","","","","1.084","","","","has coordinates,has disorder","179725","2020-10-21","18:00:00",""
"7224827","7.23","0.0002","13.548","0.0005","22.425","0.0007","90","","90","","90","","2196.57","0.12","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Ir N2 O -","- C24 H30 Ir N2 O -","- C96 H120 Ir4 N8 O4 -","4","1","","Kumar, Prashant; Irrgang, Torsten; Kostakis, George E.; Kempe, Rhett","Phosphine-free Chiral Iridium Catalysts for Asymmetric Catalytic Hydrogenation of Simple Ketones","RSC Adv.","2016","","","","","10.1039/C6RA04524C","","","0.71069","MoKα","","0.0281","0.0268","","","0.0632","0.0636","","","","","","1.064","","","","has coordinates","181850","2020-10-21","18:00:00",""
"7224829","13.383","0.0003","13.524","0.0003","17.438","0.0004","90","","90","","90","","3156.13","0.12","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H51 Ir N4 O2 -","- C32 H51 Ir N4 O2 -","- C128 H204 Ir4 N16 O8 -","4","1","","Kumar, Prashant; Irrgang, Torsten; Kostakis, George E.; Kempe, Rhett","Phosphine-free Chiral Iridium Catalysts for Asymmetric Catalytic Hydrogenation of Simple Ketones","RSC Adv.","2016","","","","","10.1039/C6RA04524C","","","0.71069","MoKα","","0.0248","0.0239","","","0.0591","0.0594","","","","","","1.053","","","","has coordinates","181850","2020-10-21","18:00:00",""
"7224839","9.152","0.003","9.804","0.004","27.36","0.01","90","","90","","90","","2454.9","1.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N3 O6 -","- C23 H35 N3 O6 -","- C92 H140 N12 O24 -","4","1","","HALDAR, DEBASISH; Pramanik, Apurba; Paikar, Arpita; Das, Tanmay; Maji, Krishnendu","Self-assembled peptide microspheres for sustainable release of sulfamethoxazole","RSC Adv.","2016","","","","","10.1039/C6RA07095G","","","0.71073","MoKα","","0.0773","0.0534","","","0.1126","0.1232","","","","","","1.04","","","","has coordinates","181852","2020-10-21","18:00:00",""
"7224840","8.31575","0.00011","20.776","0.0002","29.5002","0.0004","90","","90","","90","","5096.69","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 N3 O7 -","- C23 H35 N3 O7 -","- C184 H280 N24 O56 -","8","2","","HALDAR, DEBASISH; Pramanik, Apurba; Paikar, Arpita; Das, Tanmay; Maji, Krishnendu","Self-assembled peptide microspheres for sustainable release of sulfamethoxazole","RSC Adv.","2016","","","","","10.1039/C6RA07095G","","x-ray","1.54184","CuKα","","0.0352","0.0341","","","0.087","0.088","","","","","","1.042","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7224879","5.577","0.002","7.5481","0.0007","18.06","0.003","90","","90","","90","","760.2","0.3","295","2","295","2","","","480000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.0933","0.0744","","","0.1512","0.1591","","","","","","1.006","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224880","5.3889","0.001","7.4568","0.0008","17.8288","0.0019","90","","90","","90","","716.43","0.17","295","2","295","2","","","1600000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.0719","0.055","","","0.1264","0.1386","","","","","","1.134","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224881","5.375","0.018","7.436","0.004","17.849","0.008","90","","90","","90","","713","2","295","2","295","2","","","1900000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.1005","0.0737","","","0.1274","0.1403","","","","","","1.001","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224882","4.609","0.003","8.438","0.006","17.4","0.09","90","","90","","90","","677","4","295","2","295","2","","","2020000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.1108","0.0754","","","0.1102","0.1173","","","","","","0.942","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224883","4.62","0.003","8.422","0.005","17.29","0.03","90","","90","","90","","672.7","1.3","295","2","295","2","","","2100000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.0943","0.0614","","","0.1129","0.122","","","","","","1.009","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224884","4.58","0.03","8.401","0.008","17.2","0.05","90","","90","","90","","662","5","295","2","295","2","","","2350000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.71073","MoKα","","0.1668","0.1163","","","0.2375","0.2857","","","","","","1.007","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224885","4.5744","0.0006","8.386","0.003","17.212","0.016","90","","90","","90","","660.3","0.7","295","2","295","2","","","2850000","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","0.56087","AgKα","","0.0975","0.0706","","","0.158","0.1697","","","","","","1.013","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224886","5.6684","0.0002","7.572","0.0002","18.1425","0.0005","90","","90","","90","","778.7","0.04","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.0354","0.0319","","","0.076","0.0782","","","","","","1.055","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224887","5.6537","0.0002","7.5619","0.0002","18.1266","0.0005","90","","90","","90","","774.96","0.04","250","2","250","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.033","0.0306","","","0.0771","0.079","","","","","","1.038","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224888","5.64474","0.00013","7.55135","0.00017","18.1054","0.0004","90","","90","","90","","771.75","0.03","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.0293","0.0283","","","0.0716","0.0723","","","","","","1.085","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224889","5.62999","0.00016","7.5401","0.0002","18.0919","0.0005","90","","90","","90","","768.01","0.04","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","β-D-mannose","β-D-mannopyranose","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Patyk, Ewa; Jenczak, Anna; Katrusiak, Andrzej","Giant strain geared to transformable H-bonded network in compressed β-d-mannose.","Physical chemistry chemical physics : PCCP","2016","18","16","11474","11479","10.1039/c6cp01286h","","","1.54184","CuKα","","0.0274","0.0266","","","0.0666","0.067","","","","","","1.055","","","","has coordinates","182798","2020-10-21","18:00:00",""
"7224893","5.5906","0.0006","18.9078","0.0019","21.3233","0.0017","90","","90","","90","","2254","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Furan","2-(2-naphthoyl)-3-(4-methoxyphenyl)-6, 6-dimethyl-2,3,6,7-tetrahydrobenzofuran-4(5H)-one","","- C28 H26 O4 -","- C28 H26 O4 -","- C112 H104 O16 -","4","1","","Raghav, Neera; Jangra, Suman; Kumar, Ajay; Bhattacharyya, Shalmoli; Wadhwa, Deepak; Sindhu, Jayant","Cathepsin B, H and L inhibitors as cell proliferating agents: design, synthesis, computational and pharmacological studies of some novel 2-(2-naphthoyl)-6,6-dimethyl-3-aryl-2,3,6,7-tetrahydrobenzofuran-4(5H)-ones","RSC Adv.","2016","6","41","34588","","10.1039/C6RA06480A","","","0.71073","MoKα","","0.0882","0.0543","","","0.1137","0.129","","","","","","0.869","","","","has coordinates","182011","2020-10-21","18:00:00",""
"7224896","7.4929","0.0006","11.4014","0.0006","21.3247","0.0018","90","","90","","90","","1821.8","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O6 U -","- C19 H18 N2 O6 U -","- C76 H72 N8 O24 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Anchoring flexible uranyl dicarboxylate chains through stacking interactions of ancillary ligands on chiral U(vi) centres","CrystEngComm","2016","18","21","3905","","10.1039/C6CE00603E","","","0.71073","MoKα","","0.0326","0.0297","","","0.0845","0.0857","","","","","","1.086","","","","has coordinates","185241","2020-10-21","18:00:00",""
"7224914","13.086","0.003","13.33","0.003","13.731","0.003","90","","90","","90","","2395.2","0.9","113","","113","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 Cl Fe N Ni O3 S4 -","- C22 H14 Cl Fe N Ni O3 S4 -","- C88 H56 Cl4 Fe4 N4 Ni4 O12 S16 -","4","1","","Song, Li-Cheng; Lu, Yu; Meng, Cao; Yang, Xi-Yue","Reactions of dinuclear Ni2 complexes [Ni(RNPyS4)]2 (RNPyS4 = 2,6-bis(2-mercaptophenylthiomethyl-4-R-pyridine) with Fe(CO)3(BDA) (BDA = benzylidene acetone) leading to heterodinuclear NiFe and mononuclear Fe complexes related to the active sites of [NiFe]- and [Fe]-hydrogenases","RSC Adv.","2016","","","","","10.1039/C6RA07488J","","","0.71073","MoKα","","0.0597","0.0533","","","0.1117","0.1167","","","","","","1.028","","","","has coordinates","182097","2020-10-21","18:00:00",""
"7224944","16.4496","0.0006","16.5567","0.0007","17.7879","0.0007","90","","90","","90","","4844.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H66 N10 O10 -","- C42 H66 N10 O10 -","- C168 H264 N40 O40 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Metal-driven assembly of peptidic foldamers: formation of molecular tapes","CrystEngComm","2016","18","21","3793","","10.1039/C6CE00601A","","","0.71073","MoKα","","0.0562","0.0469","","","0.1045","0.1085","","","","","","1.052","","","","has coordinates","211177","2020-10-21","18:00:00",""
"7224945","16.7243","0.001","16.7433","0.0009","17.6543","0.001","90","","90","","90","","4943.6","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 N10 O11 -","- C44 H72 N10 O11 -","- C176 H288 N40 O44 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Metal-driven assembly of peptidic foldamers: formation of molecular tapes","CrystEngComm","2016","18","21","3793","","10.1039/C6CE00601A","","","0.7107","MoKα","","0.114","0.0841","","","0.2063","0.2243","","","","","","1.094","","","","has coordinates","185247","2020-10-21","18:00:00",""
"7224952","7.2006","0.0001","16.7077","0.0001","30.1005","0.0003","90","","90","","90","","3621.25","0.07","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","korol","","","- C39 H15 Cl4 F15 N4 -","- C39 H15 Cl4 F15 N4 -","- C156 H60 Cl16 F60 N16 -","4","1","","Śniechowska, Justyna; Paluch, Piotr; Bujacz, Grzegorz; Górecki, Marcin; Frelek, Jadwiga; Gryko, Daniel T.; Potrzebowski, Marek J.","Chiral crystals from porphyrinoids possessing a very low racemization barrier","CrystEngComm","2016","18","20","3561","","10.1039/C6CE00530F","","x-ray","1.54184","CuKα","","0.0246","0.0244","","","0.0629","0.0631","","","","","","1.066","","","","has coordinates","185237","2020-10-21","18:00:00",""
"7225084","9.0291","0.0003","12.1317","0.0004","21.5315","0.0009","90","","90","","90","","2358.52","0.15","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 N O3 -","- C31 H25 N O3 -","- C124 H100 N4 O12 -","4","1","","Bedekar, Ashutosh; Mothuku, Shyam Sundar","Synthesis of enantiomerically pure helicene-like mono 1,3-oxazines from 1,1’-binaphthyl-2,2’,7-triol and study of their chiroptical properties","RSC Adv.","2016","","","","","10.1039/C6RA10496G","","","1.54184","","","0.052","0.0467","","","","0.1346","","","","","","0.807","","","","has coordinates","182479","2020-10-21","18:00:00",""
"7225212","10.0146","0.0003","10.5472","0.0002","26.3161","0.0005","90","","90","","90","","2779.66","0.11","292.55","0.1","292.55","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 O3 -","- C30 H47 O3 -","- C120 H188 O12 -","4","1","","Liu, Hong-Xin; Chen, Kai; Tang, Gui-Hua; Yuan, Yun-Fei; Tan, Haibo; Qiu, SX","Isolation and Biomimetic Total Synthesis of Tomentodiones A-B, Terpenoid-conjugated Phloroglucinols from the Leaves of Rhodomyrtus tomentosa","RSC Adv.","2016","","","","","10.1039/C6RA08776K","","x-ray","1.54184","CuKα","","0.0514","0.0461","","","0.1177","0.1232","","","","","","1.024","","","","has coordinates","182901","2020-10-21","18:00:00",""
"7225230","10.62011","0.00017","11.1647","0.0002","11.78218","0.00019","90","","90","","90","","1397.02","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C60 H76 N4 O16 -","4","1","","Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail","The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide","RSC Adv.","2016","","","","","10.1039/C6RA10249B","","","0.71073","MoKα","","0.0273","0.0265","","","0.0692","0.0699","","","","","","1.032","","","","has coordinates","182930","2020-10-21","18:00:00",""
"7225234","10.3484","0.0004","10.5999","0.0004","27.2911","0.0008","90","","90","","90","","2993.62","0.18","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 N2 O -","- C38 H32 N2 O -","- C152 H128 N8 O4 -","4","1","","Shen, Jinhai; Yang, Xifa; Wang, Fuyuan; Wang, Yue; Cheng, Guolin; Cui, Xiuling","Base-Mediated Regiospecific Cascade Synthesis of N-(2-Pyridyl)pyrroles from N-Propargylic β-Enaminones","RSC Adv.","2016","","","","","10.1039/C6RA08987A","","","1.54184","CuKα","","0.0477","0.0406","","","0.103","0.11","","","","","","1.018","","","","has coordinates","182931","2020-10-21","18:00:00",""
"7225250","9.6831","0.0002","11.9425","0.0002","18.3518","0.0004","90","","90","","90","","2122.21","0.07","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dimethyl-2,3,6,7-tetra-hydroxytriptycene 1,4-dioxane solvate","","- C26 H26 O6 -","- C26 H26 O6 -","- C104 H104 O24 -","4","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","1.54184","CuKα","","0.0401","0.038","","","0.0974","0.0994","","","","","","1.055","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225251","8.7138","0.0004","14.7312","0.0007","15.9961","0.0008","90","","90","","90","","2053.34","0.17","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9,10-Dimethyl-2,3,6,7-tetra-methoxytriptycene","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Greatorex, Sam; Halcrow, Malcolm A.","Highly porous hydrogen-bond networks from a triptycene-based catechol","CrystEngComm","2016","18","25","4695","","10.1039/C6CE00966B","","","0.71073","MoKα","","0.0745","0.0534","","","0.1147","0.1247","","","","","","1.064","","","","has coordinates","185207","2020-10-21","18:00:00",""
"7225271","11.1175","0.0003","14.8652","0.0005","22.9914","0.0007","90","","90","","90","","3799.6","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","compound 1","","- C26 H28 Cu5 I7 N2 -","- C26 H28 Cu5 I7 N2 -","- C104 H112 Cu20 I28 N8 -","4","1","","Hao, Pengfei; Qiao, Yanrong; yu, tanlai; shen, junju; Liu, Fang; fu, yunlong","Symmetrically Modulated Three Iodocuprate Hybrids by Positional Isomer and Chiral Conformation of N-benzyl-methylpyridinium","RSC Adv.","2016","","","","","10.1039/C6RA08692F","","","0.71073","MoKα","","0.0424","0.0321","","","0.0532","0.0573","","","","","","1.041","","","","has coordinates","183010","2020-10-21","18:00:00",""
"7225323","10.3704","0.0006","11.6346","0.0006","15.6401","0.0009","90","","90","","90","","1887.06","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(+)-(1S,2R)-Z-diethylaminocarbonyl-2-aminomethyl-1-phenyl-cyclopropane]","","- C19 H28 N2 O2 -","- C19 H28 N2 O2 -","- C76 H112 N8 O8 -","4","1","","Sanfilippo, Claudia; Forni, Alessandra; Patti, Angela","Characterization of a conglomerate-forming derivative of (±)-milnacipran and its enantiomeric resolution by preferential crystallization","RSC Adv.","2016","","","","","10.1039/C6RA07745E","","","0.71073","MoKα","","0.0384","0.0345","","","0.0966","0.1003","","","","","","1.04","","","","has coordinates","183071","2020-10-21","18:00:00",""
"7225330","11.8182","0.0014","12.3712","0.0013","18.764","0.002","90","","90","","90","","2743.4","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N7 O6 -","- C27 H33 N7 O6 -","- C108 H132 N28 O24 -","4","1","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.2251","0.1122","","","0.2715","0.3493","","","","","","1.194","","","","has coordinates","185192","2020-10-21","18:00:00",""
"7225331","14.3519","0.0009","21.1721","0.0013","21.6903","0.0012","90","","90","","90","","6590.8","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H36 Cl3 N7 O6 -","- C27 H36 Cl3 N7 O6 -","- C216 H288 Cl24 N56 O48 -","8","2","","Manna, Utsab; Nayak, Biswajit; Hoque, Md. Najbul; Das, Gopal","Influence of the cavity dimension on encapsulation of halides within the capsular assembly and side-cleft recognition of a sulfate‒water cluster assisted by polyammonium tripodal receptors","CrystEngComm","2016","18","26","5036","","10.1039/C6CE00220J","","","0.71073","MoKα","","0.067","0.0505","","","0.1341","0.1481","","","","","","0.994","","","","has coordinates,has disorder","185192","2020-10-21","18:00:00",""
"7225341","9.114","0.0016","13.231","0.002","22.242","0.004","90","","90","","90","","2682.1","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 O5 -","- C31 H26 N2 O5 -","- C124 H104 N8 O20 -","4","1","","Kumari, Prathibha; Nandi, Sekhar; Kumar, Gaurav; Khan, Noor-ul Hasan; Kureshy, Rukhsana Ilyas; Abdi, Sayed H. R.; Eringathodi, Suresh; Bajaj, Hari Chand","Construction of Highly Enantioselective Spiro-oxindole Derivatives with Fused Chromene via Organocascade Catalysis","RSC Adv.","2016","","","","","10.1039/C6RA06812J","","","0.71073","MoKα","","0.0987","0.0803","","","0.136","0.1418","","","","","","1.22","","","","has coordinates","183082","2020-10-21","18:00:00",""
"7225374","3.9902","0.0002","17.052","0.0009","23.5518","0.0012","90","","90","","90","","1602.49","0.14","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,4-Diaminobenzene+trimesic acid+methanol","","- C16 H18 N2 O7 -","- C16 H18 N2 O7 -","- C64 H72 N8 O28 -","4","1","","Delori, Amit; Urquhart, Andrew J.; Oswald, Iain D. H.","Supramolecular hair dyes: a new application of cocrystallization","CrystEngComm","2016","18","28","5360","","10.1039/C6CE01001F","","","0.71073","MoKα","","0.0334","0.0298","","","0.0716","0.0742","","","","","","1.059","","","","has coordinates","185273","2020-10-21","18:00:00",""
"7225394","7.4373","0.0006","9.4766","0.0006","17.5593","0.0015","90","","90","","90","","1237.59","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,4S)-4-amino-2-phenyl-3,4-dihydrobenzo[c][1,2]thiazine 2-oxide","","- C14 H14 N2 O S -","- C14 H14 N2 O S -","- C56 H56 N8 O4 S4 -","4","1","","Battula, Sivarama Krishna; G. V., Subbareddy; I. E., Chakravarthy; Saravanan, Vadivelu","Stereoselective synthesis of 4-aminobenzo[c][1,2]thiazine via a modification of the Harmata benzothiazine synthesis","RSC Adv.","2016","","","","","10.1039/C6RA08590C","","","0.71073","MoKα","","0.0324","0.0311","","","0.0767","0.078","","","","","","1.034","","","","has coordinates","183211","2020-10-21","18:00:00",""
"7225395","7.3097","0.0011","10.0954","0.0015","24.274","0.004","90","","90","","90","","1791.3","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N O4 S -","- C19 H20 N O4 S -","- C76 H80 N4 O16 S4 -","4","1","","Song, Yuming; Li, Ke; Shu, Tao; Xie, Yamei; Zhang, Yixin; Qu, Jingping","Prochiral Alkyl-aminomethyl Ketones as Convenient Precursors for Efficient Synthesis of Chiral (2,3,5)- Tri-substitued Pyrrolidines via an Organo-Catalysed Tandem Reaction","RSC Adv.","2016","","","","","10.1039/C6RA10153D","","","0.71073","MoKα","","0.0353","0.0323","","","0.0873","0.089","","","","","","1.041","","","","has coordinates","183212","2020-10-21","18:00:00",""
"7225396","10.156","0.003","17.874","0.005","20.771","0.006","90","","90","","90","","3770.5","1.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22.5 N O4.5 S -","- C19 H22.5 N O4.5 S -","- C152 H180 N8 O36 S8 -","8","2","","Song, Yuming; Li, Ke; Shu, Tao; Xie, Yamei; Zhang, Yixin; Qu, Jingping","Prochiral Alkyl-aminomethyl Ketones as Convenient Precursors for Efficient Synthesis of Chiral (2,3,5)- Tri-substitued Pyrrolidines via an Organo-Catalysed Tandem Reaction","RSC Adv.","2016","","","","","10.1039/C6RA10153D","","","0.71073","MoKα","","0.1043","0.0585","","","0.1402","0.1594","","","","","","1.006","","","","has coordinates","183212","2020-10-21","18:00:00",""
"7225478","7.3822","0.0002","7.6039","0.0003","23.245","0.0008","90","","90","","90","","1304.82","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5l","3-(4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl)-2H-chromen-2-one","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C64 H40 N16 O8 -","4","1","","de la Cerda-Pedro, J. E.; Arcos-Ramos, R.; Maldonado-Domínguez, M.; Rojas-Lima, S.; Romero-Ávila, M.; Carreón-Castro, M. P.; Santillan, R.; Farfán, N.; López-Ruiz, H.","Engineering organic semiconducting solids. Multicomponent access to crystalline 3-(4-aryl-1,2,3-triazolyl)coumarins","CrystEngComm","2016","18","29","5562","","10.1039/C6CE01041E","","","1.54184","CuKα","","0.0653","0.05","","","0.1256","0.1371","","","","","","1.079","","","","has coordinates","185262","2020-10-21","18:00:00",""
"7225511","9.4901","0.0006","11.3584","0.0007","20.3272","0.0013","90","","90","","90","","2191.1","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-2-(2,3-Dimethylphenyl)-4-((1-(2,3-dimethylphenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one","","- C25 H26 N4 O2 -","- C25 H26 N4 O2 -","- C100 H104 N16 O8 -","4","1","","Kaliraj, Kaliappan; Xia, Likai; Edison, Thomas Nesakumar Jebakumar Immanuel; Lee, Yong Rok","Straightforward synthesis of diverse dipyrazolylmethane derivatives and their application for fluorescence sensing of Cu2+ions","RSC Adv.","2016","6","61","56323","","10.1039/C6RA10530K","","","0.71073","MoKα","","0.1162","0.043","","","0.0639","0.0837","","","","","","0.851","","","","has coordinates","183449","2020-10-21","18:00:00",""
"7225704","10.6926","0.0006","10.9871","0.0007","21.4364","0.0015","90","","90","","90","","2518.4","0.3","200.19","0.1","200.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-(+)-2-(1,5,3-dithiazepan-3-yl)-4-methylpentanoic acid","","- C10 H19 N O2 S2 -","- C10 H19 N O2 S2 -","- C80 H152 N8 O16 S16 -","8","2","","Tulyabaev, Arthur R.; Mescheryakova, Ekaterina S.; Khabibullina, Guzel R.; Khalilov, Leonard M.","Intermolecular interactions and chiral crystallization effects in (1,5,3-dithiazepan-3-yl)-alkanoic acids","CrystEngComm","2016","18","30","5686","","10.1039/C6CE00708B","","","0.71073","MoKα","","0.0781","0.0602","","","0.1102","0.1211","","","","","","1.012","","","","has coordinates","185186","2020-10-21","18:00:00",""
"7225709","7.199","0.003","11.837","0.005","25.842","0.01","90","","90","","90","","2202.1","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 O3 Si -","- C20 H40 O3 Si -","- C80 H160 O12 Si4 -","4","1","","Pazos, Gonzalo; Pérez, Manuel; Gándara, Zoila; Gómez, Generosa; Fall, Yagamare","[3,3]-Sigmatropic rearrangement mediated synthesis of chiral building blocks for the preparation of Gemini and its analogs","RSC Adv.","2016","6","66","61073","","10.1039/C6RA08789B","","","0.71073","MoKα","","0.096","0.0435","","","0.0932","0.1149","","","","","","0.997","","","","has coordinates,has disorder","183929","2020-10-21","18:00:00",""
"7225748","6.7984","0.0009","9.8986","0.0014","18.713","0.003","90","","90","","90","","1259.3","0.3","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aS,6aS,6bR,9aR,10aR,10bR)-8,8-Dimethyl-4,4a,6b,9a,10a,10b-hexahydro-3H-[1,3]dioxolo [4',5':4,5] furo[3,2-c]isochromen-5(6aH)-one","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","1","","Kalmode, Hanuman; Maity, Dilip Kumar; Bhate, Prakash","Thermal and Lewis acid Promoted Intramolecular Diels-Alder Reaction of Furanose Tethered 1,3,9-Decatriene Systems: A Synthetic and Computational Investigation","RSC Adv.","2016","","","","","10.1039/C6RA10456H","","","0.71073","MoKα","","0.0517","0.0496","","","0.1074","0.1083","","","","","","1.195","","","","has coordinates","184048","2020-10-21","18:00:00",""
"7225750","6.4993","0.0002","10.9036","0.0004","18.6419","0.0006","90","","90","","90","","1321.07","0.08","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aS,6aS,6bR,9aR,10aR,10bS)-8,8-dimethyl-4,4a,6b,9a,10a,10b-hexahydro-3H-[1,3]dioxolo [4',5':4,5]furo[3,2-c]isochromen-5(6aH)-one","","- C14 H18 O5 -","- C14 H18 O5 -","- C56 H72 O20 -","4","1","","Kalmode, Hanuman; Maity, Dilip Kumar; Bhate, Prakash","Thermal and Lewis acid Promoted Intramolecular Diels-Alder Reaction of Furanose Tethered 1,3,9-Decatriene Systems: A Synthetic and Computational Investigation","RSC Adv.","2016","","","","","10.1039/C6RA10456H","","","0.71073","MoKα","","0.0325","0.0304","","","0.0782","0.0798","","","","","","1.037","","","","has coordinates","184048","2020-10-21","18:00:00",""
"7225751","7.0114","0.0004","8.539","0.0005","23.66","0.0013","90","","90","","90","","1416.53","0.14","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aR,6aS,6bR,9aR,10aR,10bS)-4a,8,8-trimethyl-4,4a,6b,9a,10a,10b-hexahydro-3H-[1,3]dioxolo[4',5':4,5]furo[3,2-c] isochromen-5(6aH)-one","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Kalmode, Hanuman; Maity, Dilip Kumar; Bhate, Prakash","Thermal and Lewis acid Promoted Intramolecular Diels-Alder Reaction of Furanose Tethered 1,3,9-Decatriene Systems: A Synthetic and Computational Investigation","RSC Adv.","2016","","","","","10.1039/C6RA10456H","","","0.71073","MoKα","","0.0382","0.0354","","","0.0882","0.0905","","","","","","1.042","","","","has coordinates","184048","2020-10-21","18:00:00",""
"7225802","12.4973","0.0002","24.2521","0.0003","30.8995","0.0004","90","","90","","90","","9365.2","0.2","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22.25 H15.5 Cl3.5 N4 O2 S -","- C22.25 H15.5 Cl3.5 N4 O2 S -","- C356 H248 Cl56 N64 O32 S16 -","16","4","","Cui, Liying; Wang, Youming; ZHOU, Zhenghong","Enantioselective construction of novel chiral spirooxindoles incorporated thiazole nucleus","RSC Adv.","2016","","","","","10.1039/C6RA14178A","","","0.71073","MoKα","","0.0621","0.0587","","","0.1683","0.172","","","","","","1.094","","","","has coordinates,has disorder","184145","2020-10-21","18:00:00",""
"7225859","6.194","0.003","9.572","0.005","18.884","0.01","90","","90","","90","","1119.6","1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 N4 O2 -","- C9 H20 N4 O2 -","- C36 H80 N16 O8 -","4","1","","Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.","Crystalline products of CO2capture by piperazine aqueous solutions","CrystEngComm","2016","18","33","6282","","10.1039/C6CE01083K","","","0.71073","MoKα","","0.0592","0.0435","","","0.0945","0.1016","","","","","","1.051","","","","has coordinates","186367","2020-10-21","18:00:00",""
"7225871","9.1242","0.0001","13.8132","0.0002","9.0359","0.0001","90","","90","","90","","1138.83","0.02","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DimimFeCl4 (dimim=1,3-dimethylimidazolium)","","","- C5 H9 Cl4 Fe N2 -","- C5 H9 Cl4 Fe N2 -","- C20 H36 Cl16 Fe4 N8 -","4","1","","de Pedro, Imanol; Fabelo, Oscar; Garcia Saiz, Abel; Vallcorba, Oriol; Junquera, Javier; Blanco, Jesus A.; Waerenborgh, João C.; Andreica, Daniel; Wildes, Andrew; Fernandez-Diaz, Maria Teresa; Rogriguez, Jesus","Dynamically Slow Solid-to-Solid Phase Transition Induced by Thermal Treatment on DimimFeCl4 Magnetic Ionic Liquid","Phys. Chem. Chem. Phys.","2016","","","","","10.1039/C6CP02433E","powder diffraction","","0.61969","Synchrotron","","","","","","","","","0.223","6.094","","","","","","","has coordinates","184342","2020-10-21","18:00:00",""
"7225885","7.5593","0.0003","8.502","0.0003","9.0604","0.0004","90","","90","","90","","582.3","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H5 Cl O4 -","- C4 H5 Cl O4 -","- C16 H20 Cl4 O16 -","4","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0401","0.04","","","0.1028","0.1029","","","","","","1.116","","","","has coordinates","184384","2020-10-21","18:00:00",""
"7225886","7.5647","0.0005","8.6337","0.0007","9.238","0.0007","90","","90","","90","","603.35","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H5 Br O4 -","- C4 H5 Br O4 -","- C16 H20 Br4 O16 -","4","1","","Spaniol, Jacqueline M.; Wheeler, Kraig A.","Accessing Centnerszwer's quasiracemate ‒ molecular shape controlled molecular recognition","RSC Adv.","2016","6","69","64921","","10.1039/C6RA08131B","","","1.54178","CuKα","","0.0284","0.0264","","","0.0562","0.0568","","","","","","1.063","","","","has coordinates","184384","2020-10-21","18:00:00",""
"7225900","11.408","0.003","13.27","0.005","18.477","0.004","90","","90","","90","","2797.1","1.4","150.15","","150.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 N2 O3 Ru S2 -","- C26 H30 Cl2 N2 O3 Ru S2 -","- C104 H120 Cl8 N8 O12 Ru4 S8 -","4","1","","Mary Sheeba, Mani; Muthu Tamizh, M.; Babu, S. Ganesh; Bhuvanesh, Nattamai; Karvembu, R.","Ru(II)-p-cymene complexes containing ester of chiral D/L-phenylalanine derived aroylthiourea ligands for enantioselective reduction of pro-chiral ketones","RSC Adv.","2016","","","","","10.1039/C6RA12428C","","","0.71073","MoKα","","0.0263","0.024","","","0.0579","0.0593","","","","","","1.051","","","","has coordinates","184388","2020-10-21","18:00:00",""
"7225901","11.398","0.002","13.064","0.003","18.578","0.004","90","","90","","90","","2766.3","1","150.15","","150.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 N2 O4 Ru S -","- C26 H30 Cl2 N2 O4 Ru S -","- C104 H120 Cl8 N8 O16 Ru4 S4 -","4","1","","Mary Sheeba, Mani; Muthu Tamizh, M.; Babu, S. Ganesh; Bhuvanesh, Nattamai; Karvembu, R.","Ru(II)-p-cymene complexes containing ester of chiral D/L-phenylalanine derived aroylthiourea ligands for enantioselective reduction of pro-chiral ketones","RSC Adv.","2016","","","","","10.1039/C6RA12428C","","","0.71073","MoKα","","0.0296","0.0273","","","0.0711","0.0727","","","","","","1.043","","","","has coordinates","184388","2020-10-21","18:00:00",""
"7225903","8.79","0.002","15.553","0.002","16.313","0.002","90","","90","","90","","2230.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O4 S -","- C25 H26 N2 O4 S -","- C100 H104 N8 O16 S4 -","4","1","","Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza","Diastereolective synthesis of novel tetra-and pentacyclic annulated coumarino-δ-sultam pyrrolidine, pyrrolizidine, pyrrolothiazole and isoxazolidine derivatives via intramolecular 1,3-dipolar cycloadditions","RSC Adv.","2016","","","","","10.1039/C6RA14169B","","","0.71073","MoKα","","0.0376","0.0343","","","0.081","0.0834","","","","","","1.042","","","","has coordinates","184389","2020-10-21","18:00:00",""
"7225910","6.4475","0.0015","15.152","0.004","16.598","0.005","90","","90","","90","","1621.5","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2-dihydro-1-(4-hydroxy-3-methoxyphenyl)benzo[f]chromen-3-one","","- C20 H16 O4 -","- C20 H16 O4 -","- C80 H64 O16 -","4","1","","R, Narendran; Subramaniam, Shankar; Raja, MR Charan; Venkatasubba Rao, Himesh Makala; R, Subhashree; Ulaganathan, Venkatasubramanian; Pemiah, Brindha; Kar Mahapatra, Santanu; Sivasubramanian, Aravind","Design, synthesis and in-vitro anti-leukemic evaluation of ferulic acid analogues as BCR-Abl inhibitors","RSC Adv.","2016","","","","","10.1039/C6RA10106B","","","0.71073","MoKα","","0.0305","0.0266","","","0.0604","0.0632","","","","","","1.043","","","","has coordinates","184439","2020-10-21","18:00:00",""
"7225913","5.8446","0.0007","10.7346","0.0016","27.54","0.004","90","","90","","90","","1727.8","0.4","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br N2 -","- C21 H15 Br N2 -","- C84 H60 Br4 N8 -","4","1","","Xue, Shuwen; Liu, Jiaming; Qing, Xushun; Wang, Cunde","Brönsted acid-mediated Annulations of 1-Cyanocyclopropane-1-carboxylates with Arylhydrazines: Efficient Strategy for Synthesis of 1,3,5-Trisubstituted Pyrazoles","RSC Adv.","2016","","","","","10.1039/C6RA14557D","","","0.71073","MoKα","","0.1064","0.0696","","","0.1993","0.2228","","","","","","1.046","","","","has coordinates","184440","2020-10-21","18:00:00",""
"7225964","10.5014","0.0008","14.0346","0.001","20.5119","0.0015","90","","90","","90","","3023.1","0.4","125","2","125","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 F3 N3 O3 S -","- C28 H38 F3 N3 O3 S -","- C112 H152 F12 N12 O12 S4 -","4","1","","Todd, Angela D.K.; McClennan, William L.; Masuda, Jason Douglas","Organoaluminum(III) complexes of the bis-N,N’-(2,6-diisopropylphenyl)imidazolin-2-imine ligand","RSC Adv.","2016","","","","","10.1039/C6RA15507C","","","0.71073","MoKα","","0.0399","0.0343","","","0.0763","0.0798","","","","","","1.032","","","","has coordinates,has disorder","184513","2020-10-21","18:00:00",""
"7225988","7.2984","0.0001","16.7188","0.0003","20.5514","0.0003","90","","90","","90","","2507.69","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Br O2 -","- C26 H27 Br O2 -","- C104 H108 Br4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0668","0.0535","","","0.1376","0.1455","","","","","","1.058","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225989","7.343","0.0002","17.039","0.0004","20.654","0.005","90","","90","","90","","2584.2","0.6","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 I O2 -","- C26 H27 I O2 -","- C104 H108 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0676","0.0506","","","0.1275","0.1393","","","","","","1.038","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225990","6.4755","0.0002","16.0635","0.0003","22.8738","0.0003","90","","90","","90","","2379.31","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 I O2 -","- C27 H31 I O2 -","- C108 H124 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0503","0.0419","","","0.1029","0.1079","","","","","","1.038","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225991","6.396","","16.289","","22.678","","90","","90","","90","","2362.7","","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Br Ca0 F O2 -","- C27 H30 Br F O2 -","- C108 H120 Br4 F4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.096","0.0667","","","0.1679","0.1897","","","","","","1.03","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225992","7.3624","0.0001","16.7118","0.0003","20.7142","0.0004","90","","90","","90","","2548.65","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 Br F2 O2 -","- C26 H25 Br F2 O2 -","- C104 H100 Br4 F8 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.053","0.0435","","","0.1105","0.1156","","","","","","1.056","","","","has coordinates,has disorder","187039","2020-10-21","18:00:00",""
"7225993","7.2612","0.0003","15.8845","0.0006","19.4007","0.0004","90","","90","","90","","2237.69","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Br F O2 -","- C26 H29 Br F O2 -","- C104 H116 Br4 F4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0996","0.0532","","","0.1216","0.1422","","","","","","1.017","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225995","6.3045","0.0001","16.0693","0.0004","22.117","0.0006","90","","90","","90","","2240.65","0.09","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 I O2 -","- C26 H29 I O2 -","- C104 H116 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.0482","0.0373","","","0.0796","0.0846","","","","","","1.046","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7225996","7.7512","0.0016","14.839","0.003","20.627","0.004","90","","90","","90","","2372.5","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Br O2 -","- C28 H28 Br O2 -","- C112 H112 Br4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.2076","0.124","","","0.3187","0.3645","","","","","","1.034","","","","has coordinates,has disorder","187039","2020-10-21","18:00:00",""
"7225998","6.6335","0.0001","16.6143","0.0004","21.5766","0.0004","90","","90","","90","","2377.98","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 I O2 -","- C27 H29 I O2 -","- C108 H116 I4 O8 -","4","1","","Ochoa, María Eugenia; Aguilar-Granda, Andrés; Ramirez-Montes, Pedro I.; Barba, Victor; López, Yliana; Santillan, Rosa; Farfán, Norberto","Designed synthesis of “L” shaped 17-halo-aryl-ethynyl steroids","CrystEngComm","2016","18","36","6830","","10.1039/C6CE01056C","","x-ray","0.71073","MoKα","","0.093","0.0491","","","0.0942","0.1093","","","","","","1.012","","","","has coordinates","187039","2020-10-21","18:00:00",""
"7226005","9.8293","0.0004","19.0054","0.0006","6.7783","0.0004","90","","90","","90","","1266.25","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18.67 H16 O8 -","- C18.6667 H16 O8 -","- C56 H48 O24 -","3","0.75","","Liu, Yayue; Wu, Yingnan; Zhai, Rui; Liu, Zhaoming; Huang, Xishan; She, Zhi-Gang","Altenusin Derivatives from Mangrove Endophytic Fungus Alternaria sp. SK6YW3L","RSC Adv.","2016","","","","","10.1039/C6RA16214B","","","1.54178","CuKα","","0.0597","0.0544","","","0.1511","0.1578","","","","","","1.051","","","","has coordinates,has disorder","184609","2020-10-21","18:00:00",""
"7226017","8.681","0.0002","8.7004","0.0003","17.2976","0.0005","90","","90","","90","","1306.46","0.07","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","pseuboydone A","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Lan, Wenjian; Wang, Kunteng; Xu, Meng-Yang; Zhang, Jingjing; Lam, Chi-Keung; Zhong, Guohua; Xu, Jun; Yang, Depo; Li, Houjin; Wang, Laiyou","Secondary Metabolites with Chemical Diversity from the Marine-derived Fungus Pseudallescheria boydii F19-1 and Their Cytotoxic Activity","RSC Adv.","2016","","","","","10.1039/C6RA06661E","","","1.54178","CuKα","","0.0424","0.0387","","","0.0993","0.1028","","","","","","1.074","","","","has coordinates","184642","2020-10-21","18:00:00",""
"7226029","7.8972","0.0003","15.0212","0.0006","16.9789","0.0005","90","","90","","90","","2014.13","0.13","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Br Cl N2 O2 -","- C23 H16 Br Cl N2 O2 -","- C92 H64 Br4 Cl4 N8 O8 -","4","1","","Yao, Ching-Fa; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kavala, Veerababurao; Ichake, Sachin S.; Bandi, Vijayalakshmi; Kuo, Chun-Wei","Synthesis of Spiro Isoindolinone-indolines and 1,2-Disubstituted Indoles from 2-Iodobenzamide derivatives","RSC Adv.","2016","","","","","10.1039/C6RA15002K","","","0.71073","MoKα","","0.0436","0.0333","","","0.0681","0.0719","","","","","","1.029","","","","has coordinates","184647","2020-10-21","18:00:00",""
"7226040","9.6","0.0005","14.2422","0.0007","27.0844","0.0014","90","","90","","90","","3703.1","0.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-(1-(methylsulfonyl)pyrrolidin-2-yl)(2,2,6,6-tetramethyl-1,4,2,6-oxazadisilinan-4-yl)methanone","","- C12 H26 N2 O4 S Si2 -","- C12 H26 N2 O4 S Si2 -","- C96 H208 N16 O32 S8 Si16 -","8","2","","Nikolin, Alexey Aleksandrovich; Kramarova, Eugenia; Shipov, Aleksander; Baukov, Yuri; Negrebetsky, Vadim V.; Dmitry, Arkhipov E.; Korlyukov, Aleksander; Lagunin, Alexey; Bylikin, Sergey; Bassindale, Alan R.; Taylor, P. G.","N, N-bis-(dimethylfluorosilylmethyl)amides of N-organosulfonylproline and sarcosine: synthesis, structure, stereodynamic behaviour and in silico studies","RSC Adv.","2016","","","","","10.1039/C6RA14450K","","","0.71073","MoKα","","0.0384","0.0344","","","0.0775","0.0793","","","","","","1.071","","","","has coordinates","184666","2020-10-21","18:00:00",""
"7226043","13.0441","0.0009","15.9282","0.0011","18.298","0.0013","90","","90","","90","","3801.8","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(S)-N,N-bis((fluorodimethylsilyl)methyl)-1-(methylsulfonyl)pyrrolidine-2-carboxamide","","- C12 H26 F2 N2 O3 S Si2 -","- C12 H26 F2 N2 O3 S Si2 -","- C96 H208 F16 N16 O24 S8 Si16 -","8","2","","Nikolin, Alexey Aleksandrovich; Kramarova, Eugenia; Shipov, Aleksander; Baukov, Yuri; Negrebetsky, Vadim V.; Dmitry, Arkhipov E.; Korlyukov, Aleksander; Lagunin, Alexey; Bylikin, Sergey; Bassindale, Alan R.; Taylor, P. G.","N, N-bis-(dimethylfluorosilylmethyl)amides of N-organosulfonylproline and sarcosine: synthesis, structure, stereodynamic behaviour and in silico studies","RSC Adv.","2016","","","","","10.1039/C6RA14450K","","","0.71073","MoKα","","0.0336","0.0266","","","0.0655","0.0698","","","","","","1.084","","","","has coordinates","184666","2020-10-21","18:00:00",""
"7226054","9.2978","0.0019","18.028","0.004","14.049","0.003","90","","90","","90","","2354.9","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H32 Br4 Cd N2 -","- C16 H32 Br4 Cd N2 -","- C64 H128 Br16 Cd4 N8 -","4","1","","Wang, Xiao-Li; Zhou, Lin; Ye, Qiong; Geng, Fu-Juan; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","A spiro-type ammonium based switchable dielectric material with two sequential reversible phase transitions above room temperature","RSC Adv.","2016","","","","","10.1039/C6RA14157A","","","0.71073","MoKα","","0.1835","0.0742","","","0.1493","0.1883","","","","","","1.001","","","","has coordinates","184689","2020-10-21","18:00:00",""
"7226055","9.407","0.012","18.17","0.02","14.37","0.017","90","","90","","90","","2456","5","348","2","348","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H32 Br4 Cd N2 -","- C16 H32 Br4 Cd N2 -","- C64 H128 Br16 Cd4 N8 -","4","1","","Wang, Xiao-Li; Zhou, Lin; Ye, Qiong; Geng, Fu-Juan; Ye, Heng-Yun; Fu, Da-Wei; Zhang, Yi","A spiro-type ammonium based switchable dielectric material with two sequential reversible phase transitions above room temperature","RSC Adv.","2016","","","","","10.1039/C6RA14157A","","","0.71073","MoKα","","0.2598","0.1482","","","0.3791","0.4467","","","","","","1.216","","","","has coordinates","184689","2020-10-21","18:00:00",""
"7226063","11.3978","0.001","14.654","0.0012","21.3097","0.0019","90","","90","","90","","3559.2","0.5","99.8","","99.8","","","","","","","","Penicillium purpurogenum G59","4","P 21 21 21","P 2ac 2ab","19","","Penicimutamide A","","- C21 H23 N3 O3 -","- C21 H23 N3 O3 -","- C168 H184 N24 O24 -","8","2","","Li, Chang-Wei; Wu, Chang-Jing; Cui, Cheng-Bin; Xu, Lan-Lan; Cao, Fei; Zhu, Huajie","Penicimutamides A‒C: Rare Carbamate-containing Alkaloids from a Mutant of the Marine-derived Penicillium purpurogenum G59","RSC Adv.","2016","","","","","10.1039/C6RA14904A","","","1.5418","CuKα","","0.0584","0.0558","","","0.1327","0.1346","","","","","","1.075","","","","has coordinates","184703","2020-10-21","18:00:00",""
"7226116","11.2283","0.0004","20.8486","0.0007","24.0242","0.0009","90","","90","","90","","5623.9","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 O12 -","- C56 H42 O12 -","- C224 H168 O48 -","4","1","","P., Sasikumar; B., Prabha; T. R., Reshmitha; Veluthoor, Sheeba; A. K., Pradeep; K. R., Rohit; P, Dhanya B; V. V., Sivan; M. M., Jithin; N., Anil Kumar; I.G., SHIBI; P, Nisha; K. V., Radhakrishnan","Comparison of antidiabetic potential of (+) and (-)-Hopeaphenol, a pair of enantiomers isolated from Ampelocissus indica (L.) and Vateria indica Linn, with respect to inhibition of digestive enzymes and induction of glucose uptake in L6 myotubes","RSC Adv.","2016","","","","","10.1039/C6RA14334B","","","0.71073","MoKα","","0.1359","0.0698","","","0.1609","0.204","","","","","","1.011","","","","has coordinates","184817","2020-10-21","18:00:00",""
"7226117","11.2315","0.0002","20.8456","0.0005","24.0263","0.0006","90","","90","","90","","5625.2","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C56 H42 O12 -","- C56 H42 O12 -","- C224 H168 O48 -","4","1","","P., Sasikumar; B., Prabha; T. R., Reshmitha; Veluthoor, Sheeba; A. K., Pradeep; K. R., Rohit; P, Dhanya B; V. V., Sivan; M. M., Jithin; N., Anil Kumar; I.G., SHIBI; P, Nisha; K. V., Radhakrishnan","Comparison of antidiabetic potential of (+) and (-)-Hopeaphenol, a pair of enantiomers isolated from Ampelocissus indica (L.) and Vateria indica Linn, with respect to inhibition of digestive enzymes and induction of glucose uptake in L6 myotubes","RSC Adv.","2016","","","","","10.1039/C6RA14334B","","","0.71073","MoKα","","0.087","0.0617","","","0.1677","0.192","","","","","","1.067","","","","has coordinates","184817","2020-10-21","18:00:00",""
"7226179","7.1126","0.0002","8.151","0.0002","25.807","0.0007","90","","90","","90","","1496.16","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 O3 S -","- C6 H8 O3 S -","- C48 H64 O24 S8 -","8","2","","Mangalum, A.; Boadi, F.; Masand, S. A.; Lalancette, R. A.; Pietrangelo, A.","A Pb2±binding polychelatogen derived from thionated lactide","RSC Adv.","2016","6","78","74250","","10.1039/C6RA16230D","","","1.54178","CuKα","","0.0283","0.0277","","","0.073","0.0735","","","","","","1.053","","","","has coordinates","185053","2020-10-21","18:00:00",""
"7226180","7.7606","0.0005","10.8844","0.0008","12.686","0.001","90","","90","","90","","1071.58","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 O3 S -","- C11 H14 O3 S -","- C44 H56 O12 S4 -","4","1","","Mangalum, A.; Boadi, F.; Masand, S. A.; Lalancette, R. A.; Pietrangelo, A.","A Pb2±binding polychelatogen derived from thionated lactide","RSC Adv.","2016","6","78","74250","","10.1039/C6RA16230D","","","1.54178","CuKα","","0.0349","0.0312","","","0.0752","0.0766","","","","","","1.006","","","","has coordinates","185053","2020-10-21","18:00:00",""
"7226201","10.9865","0.001","11.6624","0.001","20.9","0.0017","90","","90","","90","","2677.9","0.4","566","2","566.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 O3 -","- C32 H36 O3 -","- C128 H144 O12 -","4","1","","Arde, Panjab; Ramasamy, Vijaya Anand","Expedient Access to Unsymmetrical Triarylmethanes through N-Heterocyclic Carbene Catalysed 1,6-Conjugate Addition of 2-Naphthols to para-Quinone Methides","RSC Adv.","2016","","","","","10.1039/C6RA11116E","","","0.71073","MoKα","","0.1081","0.0738","","","0.2027","0.2382","","","","","","0.957","","","","has coordinates","185730","2020-10-21","18:00:00",""
"7226220","9.1279","0.0006","11.6936","0.0009","15.8335","0.0012","90","","90","","90","","1690","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 B F2 N2 -","- C19 H19 B F2 N2 -","- C76 H76 B4 F8 N8 -","4","1","","Prasannan, Dijo; Raghav, Darpan; Subramaniam, Sujatha; Hareendrakrishna kumar, Haritha; K, Rathinasamy; Arunkumar, Chellaiah","Synthesis, structure, photophysical, electrochemical properties and antibacterial activity of brominated BODIPYs","RSC Adv.","2016","","","","","10.1039/C6RA12258B","","","0.71073","MoKα","","0.0797","0.048","","","0.1172","0.1413","","","","","","1.051","","","","has coordinates","185749","2020-10-21","18:00:00",""
"7226224","6.2051","0.0006","8.201","0.0008","34.011","0.003","90","","90","","90","","1730.8","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O4 -","- C19 H28 O4 -","- C76 H112 O16 -","4","1","","Li, Xin; Li, Xiao-Ming; Li, Xiao-Dong; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","20-Nor-isopimarane cycloethers from the deep-sea sediment-derived fungus Aspergillus wentii SD-310","RSC Adv.","2016","6","79","75981","","10.1039/C6RA17638K","","","1.54178","CuKα","","0.083","0.0584","","","0.1321","0.1522","","","","","","1.037","","","","has coordinates","185750","2020-10-21","18:00:00",""
"7226271","8.2009","0.0003","11.6802","0.0004","21.3811","0.0008","90","","90","","90","","2048.06","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O4 -","- C22 H23 N3 O4 -","- C88 H92 N12 O16 -","4","1","","Amireddy, Mamatha; Chen, Kwunmin","Organocatalytic one-pot asymmetric synthesis of functionalized spiropyrazolones via a Michael-aldol sequential reaction","RSC Adv.","2016","6","81","77474","","10.1039/C6RA13923J","","","0.71073","MoKα","","0.1164","0.0468","","","0.0791","0.0975","","","","","","0.968","","","","has coordinates","185860","2020-10-21","18:00:00",""
"7226274","9.6084","0.001","11.1938","0.0017","19.649","0.003","90","","90","","90","","2113.3","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 N3 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","1","","J, SELVAKUMAR; Grandhi, Gowri Sankar; Sahoo, Harekrishna; Baidya, Mahiuddin","Copper-Mediated Etherification of Arenes with Alkoxysilanes Directed by (2-Aminophenyl)pyrazole Group","RSC Adv.","2016","","","","","10.1039/C6RA18861C","","","0.71073","MoKα","","0.0755","0.0469","","","0.0983","0.1148","","","","","","1.049","","","","has coordinates","185861","2020-10-21","18:00:00",""
"7226320","5.7556","0.0001","15.8271","0.0004","26.2952","0.0006","90","","90","","90","","2395.35","0.09","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(+)-erythro-N-(N-allylthiocarbamoyl) mefloquine, (11R,12S)","","- C23 H24 F6 N4 O S -","- C23 H24 F6 N4 O S -","- C92 H96 F24 N16 O4 S4 -","4","1","","Kohout, Michal; Vandenbussche, Jelle; Roller, Alexander; Tůma, Jiří; Bogaerts, Jonathan; Bultinck, Patrick; Herrebout, Wouter; Lindner, Wolfgang","Absolute configuration of the antimalarial erythro-mefloquine ‒ Vibrational Circular Dichroism and X-ray diffraction studies of mefloquine and its thiourea derivative","RSC Adv.","2016","","","","","10.1039/C6RA19367F","","","1.54178","CuKα","","0.0273","0.0265","","","0.0695","0.0699","","","","","","1.064","","","","has coordinates","185925","2020-10-21","18:00:00",""
"7226321","5.7658","0.0001","15.8201","0.0004","26.2887","0.0006","90","","90","","90","","2397.94","0.09","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(-)-erythro-N-(N-allylthiocarbamoyl) mefloquine, (11S, 12R)","","- C23 H24 F6 N4 O S -","- C23 H24 F6 N4 O S -","- C92 H96 F24 N16 O4 S4 -","4","1","","Kohout, Michal; Vandenbussche, Jelle; Roller, Alexander; Tůma, Jiří; Bogaerts, Jonathan; Bultinck, Patrick; Herrebout, Wouter; Lindner, Wolfgang","Absolute configuration of the antimalarial erythro-mefloquine ‒ Vibrational Circular Dichroism and X-ray diffraction studies of mefloquine and its thiourea derivative","RSC Adv.","2016","","","","","10.1039/C6RA19367F","","","1.54178","CuKα","","0.0414","0.0356","","","0.0809","0.0835","","","","","","1.04","","","","has coordinates","185925","2020-10-21","18:00:00",""
"7226356","14.174","0.004","18.194","0.005","26.052","0.006","90","","90","","90","","6718","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C73 H67 Na3 O26 -","- C73 H67 Na3 O26 -","- C292 H268 Na12 O104 -","4","1","","Martins, Felipe Terra; da Silva, Cleiton Moreira; Vasconcelos, Géssica Adriana; Gontijo Vaz, Boniek; Vieira, Tarcisio da Silva; Queiroz Júnior, Luiz Henrique Keng; de Fátima, Ângelo","Lower rim dimerization of a calixarene through the encapsulation of sodium ions","CrystEngComm","2016","18","37","6987","","10.1039/C6CE01387B","","","0.71073","MoKα","","0.1782","0.0677","","","0.1638","0.211","","","","","","0.982","","","","has coordinates","187046","2020-10-21","18:00:00",""
"7226365","6.39","0.015","10.62","0.03","14.67","0.03","90","","90","","90","","996","4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H15 O5 P -","- C6 H15 O5 P -","- C24 H60 O20 P4 -","4","1","","Khasiyatullina, Nadezhda; Mironov, Vladimir Fedorovich; Krivolapov, Dmitry; Mironova, Ekaterina V.; Gnezdilov, Oleg I.","Synthesis, Crystal Structure and Hydrolysis of Novel Isomeric Cage (P‒C/P‒O)-Phosphoranes on the basis of 4,4,5,5-Tetramethyl-2-(2-oxo-1,2-diphenylethoxy)-1,3,2-dioxaphospholane and Hexafluoroacetone","RSC Adv.","2016","","","","","10.1039/C6RA17983E","","","0.71073","MoKα","","0.0907","0.0499","","","0.1437","0.1841","","","","","","0.698","","","","has coordinates","186013","2020-10-21","18:00:00",""
"7226399","7.0251","0.0003","11.3852","0.0005","32.308","0.0015","90","","90","","90","","2584.1","0.2","150","2","150","2","","","","","","","Fungus Gymnascella dankaliensis","5","P 21 21 21","P 2ac 2ab","19","gymnastatin T","","","- C24 H38 Br N O7 -","- C24 H38 Br N O7 -","- C96 H152 Br4 N4 O28 -","4","1","","Wang, Hao; Dai, Haofu; Heering, Christian; Janiak, Christoph; Lin, Wenhan; Orfali, Raha S.; Müller, Werner E. G.; Liu, Zhen; Proksch, Peter","Targeted solid phase fermentation of the soil dwelling fungus Gymnascella dankaliensis yields new brominated tyrosine-derived alkaloids","RSC Adv.","2016","6","85","81685","","10.1039/C6RA14554J","","","0.71073","MoKα","","0.0747","0.0626","","","0.1579","0.1637","","","","","","1.092","","","","has coordinates","186084","2020-10-21","18:00:00",""
"7226475","4.8741","0.0003","6.3672","0.0004","40.456","0.003","90","","90","","90","","1255.53","0.14","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F3 N2 Na O5 S -","- C9 H10 F3 N2 Na O5 S -","- C36 H40 F12 N8 Na4 O20 S4 -","4","1","","Blackholly, Laura R.; Shepherd, Helena J.; Hiscock, Jennifer R.","‘Frustrated’ hydrogen bond mediated amphiphile self-assembly ‒ a solid state study","CrystEngComm","2016","18","37","7021","","10.1039/C6CE01493C","","x-ray","1.54184","CuKα","","0.0288","0.0279","","","0.0697","0.0701","","","","","","1.066","","","","has coordinates","187051","2020-10-21","18:00:00",""
"7226479","11.5762","0.0002","24.1976","0.0004","24.6149","0.0004","90","","90","","90","","6895","0.2","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H72 Mn2 N6 O12 -","- C80 H72 Mn2 N6 O12 -","- C320 H288 Mn8 N24 O48 -","4","1","","Andruh, Marius; Dinca, Alina Simona; Candu, Natalia; Julve, Miguel; Lloret, Francesc; Sova, Sergiu; Parvulescu, Vasile i","A new chiral dimanganese(III) complex: synthesis, crystal structure, spectroscopic, magnetic, and catalytic properties","RSC Adv.","2016","","","","","10.1039/C6RA18989J","","","0.71073","MoKα","","0.0532","0.0429","","","0.094","0.0995","","","","","","1.037","","","","has coordinates,has disorder","186216","2020-10-21","18:00:00",""
"7226480","11.5575","0.0003","24.1622","0.0006","24.5872","0.0007","90","","90","","90","","6866.1","0.3","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H72 Mn2 N6 O12 -","- C80 H72 Mn2 N6 O12 -","- C320 H288 Mn8 N24 O48 -","4","1","","Andruh, Marius; Dinca, Alina Simona; Candu, Natalia; Julve, Miguel; Lloret, Francesc; Sova, Sergiu; Parvulescu, Vasile i","A new chiral dimanganese(III) complex: synthesis, crystal structure, spectroscopic, magnetic, and catalytic properties","RSC Adv.","2016","","","","","10.1039/C6RA18989J","","","0.71073","MoKα","","0.092","0.0658","","","0.1335","0.1517","","","","","","1.026","","","","has coordinates,has disorder","186216","2020-10-21","18:00:00",""
"7226482","4.4436","0.0014","6.641","0.002","20.957","0.006","90","","90","","90","","618.4","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N O2 -","- C7 H5 N O2 -","- C28 H20 N4 O8 -","4","1","","Singh, Anoop S.; Kumar, Dhananjay; Mishra, Nidhi; Tiwari, Vinod K.","An efficient one-pot synthesis of N,N′-disubstituted ureas and carbamates from N-acylbenzotriazoles","RSC Adv.","2016","6","87","84512","","10.1039/C6RA14131E","","","0.71073","MoKα","","0.0431","0.0386","","","0.0941","0.0969","","","","","","1.061","","","","has coordinates","186217","2020-10-21","18:00:00",""
"7226520","6.27813","0.00014","10.3446","0.0002","27.8319","0.0006","90","","90","","90","","1807.54","0.07","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C83 H110 O20 -","- C83 H110 O20 -","- C83 H110 O20 -","1","0.25","","Song, Jia-Ling; Yuan, Yao; Tan, Hai-Bo; Wu, Jie-Wei; Huang, Ri-Ming; Li, Heng; Xu, Zhi-Fang; Na, Ning; Qiu, Sheng-Xiang","Euryachins A and B, a new type of diterpenoids from Eurya chinensis with potent NO production inhibitory activity","RSC Adv.","2016","6","89","85958","","10.1039/C6RA11994H","","x-ray","1.54184","CuKα","","0.0369","0.0365","","","0.0984","0.0987","","","","","","1.093","","","","has coordinates,has disorder","186505","2020-10-21","18:00:00",""
"7226567","8.1558","0.0002","12.8129","0.0003","22.6191","0.0004","90","","90","","90","","2363.68","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N6 O6 -","- C24 H30 N6 O6 -","- C96 H120 N24 O24 -","4","1","","Ganß, Alexander; Xu, Chaojie; Guenet, Aurélie; Kelm, Harald; Kyritsakas, Nathalie; Planeix, Jean-Marc; Kubik, Stefan; Hosseini, Mir Wais","Molecular tectonics: homochiral coordination polymers based on pyridyl-substituted cyclic tetrapeptides","CrystEngComm","2016","18","40","7685","","10.1039/C6CE01944G","","","1.54184","CuKα","","0.0399","0.0395","","","0.1051","0.1055","","","","","","1.085","","","","has coordinates","188089","2020-10-21","18:00:00",""
"7226574","10.7367","0.0005","11.1799","0.0005","16.8458","0.0009","90","","90","","90","","2022.09","0.17","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 O6 -","- C23 H32 O6 -","- C92 H128 O24 -","4","1","","Zhang, Peng-Wei; Tian, Hai-Yan; Nie, Qiu-Lin; Wang, Lei; Zhou, Shi-Wen; Ye, Wen-Cai; Zhang, Dong-Mei; Jiang, Ren-Wang","Structures and inhibitory activity against breast cancer cells of new bufadienolides from the eggs of toad Bufo bufo gargarizans","RSC Adv.","2016","","","","","10.1039/C6RA18676A","","","1.54178","CuKα","","0.0662","0.0633","","","0.1777","0.1817","","","","","","1.062","","","","has coordinates","186623","2020-10-21","18:00:00",""
"7226587","8.3723","0.0005","10.0412","0.0005","15.094","0.0008","90","","90","","90","","1268.92","0.12","180.15","","180.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H5 Br I3 N Pb -","- C5 H5 Br I3 N Pb -","- C20 H20 Br4 I12 N4 Pb4 -","4","1","","Gómez, Verónica; Fuhr, Olaf; Ruben, Mario","Structural diversity in substituted-pyridinium iodo- and bromoplumbates: a matter of halide and temperature","CrystEngComm","2016","18","42","8207","","10.1039/C6CE01684G","","x-ray","0.71073","MoKα","","0.054","0.053","","","0.1298","0.1312","","","","","","1.1","","","","has coordinates","188108","2020-10-21","18:00:00",""
"7226654","9.3887","0.0002","11.6113","0.0003","19.7433","0.0005","90","","90","","90","","2152.32","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","first crystal ic17971","3i","","- C22 H20 N4 O10 -","- C22 H20 N4 O10 -","- C88 H80 N16 O40 -","4","1","","Peng, Chieh-Hung; Hong, Bor-Cherng; Raja, Arun; Chang, Chun-Wei; Lee, Gene-Hsiang","Constructing Densely Functionalized Hajos‒Parrish-type Ketones with Six Contiguous Stereogenic Centers and Two Quaternary Carbons in a Formal [2 + 2 + 2] Cycloaddition Cascade","RSC Adv.","2016","","","","","10.1039/C6RA22430J","","","1.54178","CuKα","","0.0258","0.0255","","","0.0698","0.0701","","","","","","1.047","","","","has coordinates","186791","2020-10-21","18:00:00",""
"7226655","9.3839","0.0002","11.609","0.0002","19.7514","0.0004","90","","90","","90","","2151.67","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","second crystal ic18028","3i","","- C22 H20 N4 O10 -","- C22 H20 N4 O10 -","- C88 H80 N16 O40 -","4","1","","Peng, Chieh-Hung; Hong, Bor-Cherng; Raja, Arun; Chang, Chun-Wei; Lee, Gene-Hsiang","Constructing Densely Functionalized Hajos‒Parrish-type Ketones with Six Contiguous Stereogenic Centers and Two Quaternary Carbons in a Formal [2 + 2 + 2] Cycloaddition Cascade","RSC Adv.","2016","","","","","10.1039/C6RA22430J","","","1.54178","CuKα","","0.0245","0.024","","","0.0617","0.0621","","","","","","1.051","","","","has coordinates","186791","2020-10-21","18:00:00",""
"7226656","9.3881","0.0001","11.607","0.0002","19.7468","0.0003","90","","90","","90","","2151.76","0.05","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","third crystal ic18028-1","3i","","- C22 H20 N4 O10 -","- C22 H20 N4 O10 -","- C88 H80 N16 O40 -","4","1","","Peng, Chieh-Hung; Hong, Bor-Cherng; Raja, Arun; Chang, Chun-Wei; Lee, Gene-Hsiang","Constructing Densely Functionalized Hajos‒Parrish-type Ketones with Six Contiguous Stereogenic Centers and Two Quaternary Carbons in a Formal [2 + 2 + 2] Cycloaddition Cascade","RSC Adv.","2016","","","","","10.1039/C6RA22430J","","","1.54178","CuKα","","0.0253","0.0247","","","0.0629","0.0634","","","","","","1.031","","","","has coordinates","186791","2020-10-21","18:00:00",""
"7226657","6.6053","0.0001","16.3208","0.0003","18.4301","0.0003","90","","90","","90","","1986.83","0.06","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ic18058-1","5a","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Peng, Chieh-Hung; Hong, Bor-Cherng; Raja, Arun; Chang, Chun-Wei; Lee, Gene-Hsiang","Constructing Densely Functionalized Hajos‒Parrish-type Ketones with Six Contiguous Stereogenic Centers and Two Quaternary Carbons in a Formal [2 + 2 + 2] Cycloaddition Cascade","RSC Adv.","2016","","","","","10.1039/C6RA22430J","","","1.54178","CuKα","","0.0326","0.0318","","","0.0793","0.08","","","","","","1.065","","","","has coordinates","186791","2020-10-21","18:00:00",""
"7226680","7.7154","0.0002","9.5901","0.0003","22.5595","0.0006","90","","90","","90","","1669.21","0.08","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0421","0.037","","","0.0959","0.0999","","","","","","1.035","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226681","7.723","0.0002","9.6004","0.0003","22.5562","0.0007","90","","90","","90","","1672.4","0.09","170","2","170","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Sanguinarine","","- C21 H17 N O5 -","- C21 H17 N O5 -","- C84 H68 N4 O20 -","4","1","","Zhang, Qi; Jia, Lina; Wang, Jian-Rong; Mei, Xuefeng","Absolute asymmetric synthesis of a sanguinarine derivative through crystal‒solution interactions","CrystEngComm","2016","18","46","8834","","10.1039/C6CE01765G","","","1.54178","CuKα","","0.0391","0.0346","","","0.0996","0.1053","","","","","","0.98","","","","has coordinates","190068","2020-10-21","18:00:00",""
"7226733","40.449","0.01","10.2346","0.0017","33.844","0.008","90","","90","","90","","14011","5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C76 H76 N8 O12 S4 -","- C76 H76 N8 O12 S4 -","- C608 H608 N64 O96 S32 -","8","2","","Ovsyannikov, A. S.; Lang, M. N.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: tetracarboxythiacalix[4]arene derivatives as tectons for the formation of hydrogen-bonded networks","CrystEngComm","2016","18","44","8622","","10.1039/C6CE02026G","","","0.71073","MoKα","","0.2248","0.0887","","","0.1599","0.1925","","","","","","1.026","","","","has coordinates","190086","2020-10-21","18:00:00",""
"7226754","13.3748","0.0007","15.9256","0.0008","26.3938","0.0013","90","","90","","90","","5621.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N4 O2 -","- C19 H26 N4 O2 -","- C228 H312 N48 O24 -","12","3","","Balachandran, Chandrasekar; Chennakesava Rao, K.; Arun, Y.; Emi, N.; Yamamoto, Naoki; Inaguma, Yoko; Okamoto, Akinao; Easwaramoorthi, K.; Paramasivan Thirumalai, Perumal","Synthetic investigation on chirally pure Mannich derivatives of pseudophenylpropanolamine and their anticancer properties against HepG-2 cells with inhibition of JAK2/STAT3","RSC Adv.","2016","","","","","10.1039/C6RA22480F","","","0.71073","MoKα","","0.1326","0.0592","","","0.1323","0.1653","","","","","","0.954","","","","has coordinates","187225","2020-10-21","18:00:00",""
"7226788","7.8028","0.0006","17.6121","0.0012","18.6177","0.0012","90","","90","","90","","2558.5","0.3","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N3 O4 S -","- C28 H37 N3 O4 S -","- C112 H148 N12 O16 S4 -","4","1","","Kong, Minmin; Fu, Xue; Li, Jiaoyang; Li, Jianhui; Chen, Minhua; Deng, Zongwu; Zhang, Hailu","Sweet pharmaceutical salts of stanozolol with enhanced solubility and physical stability","CrystEngComm","2016","18","45","8739","","10.1039/C6CE01876A","","","0.71073","MoKα","","0.0399","0.0352","","","0.0837","0.086","","","","","","1.035","","","","has coordinates","190081","2020-10-21","18:00:00",""
"7226804","10.4181","0.0016","13.682","0.002","18.006","0.003","90","","90","","90","","2566.6","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 N2 O4 -","- C30 H34 N2 O4 -","- C120 H136 N8 O16 -","4","1","","Gangar, Mukesh; Ittuveetil, Avinash; Goyal, Sandeep; Pal, Anang; M., Harikrishnan; Nair, Vipin A.","Anti selective glycolate aldol reactions of (S)-4-isopropyl-1-[(R)-1-phenylethyl]imidazolidin-2-one: application towards the asymmetric synthesis of 8-4'-oxyneolignans","RSC Adv.","2016","","","","","10.1039/C6RA22026F","","","0.71075","MoKα","","0.063","0.0554","","","0.1391","0.1477","","","","","","1.012","","","","has coordinates","187358","2020-10-21","18:00:00",""
"7226820","13.0935","0.00014","19.21243","0.00019","22.816","0.0003","90","","90","","90","","5739.55","0.11","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H92 N4 Ni4 O16 -","- C46 N4 Ni4 O16 -","- C184 N16 Ni16 O64 -","4","1","","Schmitz, Sebastian; Monakhov, Kirill; van Leusen, Jan; Izarova, Natalya V.; Heß, Volkmar; Kögerler, Paul","{Co(II/III)5} horseshoe and {Ni(II)4} lacunary cubane coordination clusters: the isobutyrate/N-butyldiethanolamine reaction system","RSC Adv.","2016","","","","","10.1039/C6RA19232G","","","0.71073","MoKα","","0.0712","0.0513","","","0.1264","0.1392","","","","","","1.073","","","","has coordinates,has disorder","187391","2020-10-21","18:00:00",""
"7226879","6.8827","0.001","16.544","0.002","17.51","0.002","90","","90","","90","","1993.8","0.4","188","2","188","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N5 O2 -","- C20 H21 N5 O2 -","- C80 H84 N20 O8 -","4","1","","Khattab, Tawfik A.; Tiu, Brylee David Buada; Adas, Sonya; Bunge, Scott Daniel; Advincula, Rigoberto","Solvatochromic, Thermochromic and pH-Sensory DCDHF-Hydrazone Molecular Switch: Response to Alkaline Analytes","RSC Adv.","2016","","","","","10.1039/C6RA24113A","","","0.71073","MoKα","","0.0882","0.0477","","","0.1193","0.1496","","","","","","0.862","","","","has coordinates","187505","2020-10-21","18:00:00",""
"7226937","9.7178","0.0001","16.9875","0.0002","19.0128","0.0002","90","","90","","90","","3138.65","0.06","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O11 -","- C34 H44 O11 -","- C136 H176 O44 -","4","1","","Chen, Li-Ping; Wu, Guo-Zhen; Dong, Hong-yuan; Yang, Niao; Zhang, Weidong; Li, Hui-Liang","Lineariifolianoids I-L, four rare sesquiterpene lactone dimers inhibiting NO production from Inula lineariifolia","RSC Adv.","2016","","","","","10.1039/C6RA23092J","","","1.54178","CuKα","","0.0333","0.0322","","","0.083","0.0839","","","","","","1.028","","","","has coordinates","187590","2020-10-21","18:00:00",""
"7226938","8.7671","0.0001","17.4066","0.0003","18.8236","0.0004","90","","90","","90","","2872.58","0.09","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O8 -","- C32 H40 O8 -","- C128 H160 O32 -","4","1","","Chen, Li-Ping; Wu, Guo-Zhen; Dong, Hong-yuan; Yang, Niao; Zhang, Weidong; Li, Hui-Liang","Lineariifolianoids I-L, four rare sesquiterpene lactone dimers inhibiting NO production from Inula lineariifolia","RSC Adv.","2016","","","","","10.1039/C6RA23092J","","","1.54178","CuKα","","0.0437","0.0416","","","0.1093","0.1117","","","","","","1.045","","","","has coordinates","187590","2020-10-21","18:00:00",""
"7226948","9.4392","0.0003","12.6456","0.0005","31.178","0.001","90","","90","","90","","3721.5","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 O6 -","- C44 H50 O6 -","- C176 H200 O24 -","4","1","","Mukherjee, Mana Mohan; Basu, Nabamita; Ghosh, Rina","Iron(III) Chloride Modulated Selective 1,2-trans Glycosylation Based on Glycosyl Trichloroacetimidate Donors and its Application in Orthogonal Glycosylation","RSC Adv.","2016","","","","","10.1039/C6RA21859H","","","0.71073","MoKα","","0.1034","0.0605","","","0.1378","0.1635","","","","","","1.029","","","","has coordinates","187618","2020-10-21","18:00:00",""
"7226981","7.4511","0.0008","8.0164","0.0008","28.243","0.003","90","","90","","90","","1687","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Sun, Xiaohua; Fei, Jie; Zou, Chuncheng; Lu, Min; Ye, Jinxing","Remote Stereocontrolled Asymmetric 1,6-Addition/1,4-Addition Cascade Reactions between Cyclic Dienones and 2-Indolinethiones","RSC Adv.","2016","","","","","10.1039/C6RA19916J","","","0.71073","MoKα","","0.0434","0.04","","","0.095","0.0974","","","","","","1.039","","","","has coordinates","187720","2020-10-21","18:00:00",""
"7226982","7.8324","0.0019","10.981","0.003","20.695","0.005","90","","90","","90","","1779.9","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Sun, Xiaohua; Fei, Jie; Zou, Chuncheng; Lu, Min; Ye, Jinxing","Remote Stereocontrolled Asymmetric 1,6-Addition/1,4-Addition Cascade Reactions between Cyclic Dienones and 2-Indolinethiones","RSC Adv.","2016","","","","","10.1039/C6RA19916J","","","0.71073","MoKα","","0.0508","0.0416","","","0.0945","0.0998","","","","","","1.016","","","","has coordinates","187720","2020-10-21","18:00:00",""
"7227010","6.5779","0.0005","7.9462","0.0005","32.486","0.002","90","","90","","90","","1698","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(N,N'-Dibromo-(S)-5-isobutylhydantoin)(methylisonicotinate)","","- C14 H17 Br2 N3 O4 -","- C14 H17 Br2 N3 O4 -","- C56 H68 Br8 N12 O16 -","4","1","","Nicolas, Irène; Jeannin, Olivier; Pichon, Delphine; Fourmigué, Marc","Dibromohydantoins as halogen bond (XB) donors: a route toward the introduction of chirality in halogen bonded systems","CrystEngComm","2016","18","48","9325","","10.1039/C6CE02175A","","x-ray","0.71073","MoKα","","0.0436","0.0313","","","0.0545","0.0574","","","","","","1.048","","","","has coordinates","190078","2020-10-21","18:00:00",""
"7227042","11.095","0.002","16.413","0.002","8.263","0.001","90","","90","","90","","1504.7","0.4","","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 N2 O12 P3 Zn3 -","- C6 N2 O12 P3 Zn3 -","- C24 N8 O48 P12 Zn12 -","4","1","","Harrison, William T. A.; Nenoff, Tina M.; Eddy, Michael, M.; Martin, Theresa E.; Stucky, Galen, D.","Organic templates in zincophosphates synthesis : Zn5(PO4)2(HPO4)4.H2O.2H2N2C6H12, containing two distinct eight-ring channels and Zn3(PO4)(HPO4)2.HN2C6H12, containing tetrahedral three-rings and Zn-N bonds","Journal of Materials Chemistry","1992","2","","1127","1134","10.1039/JM9920201127","","x-ray","0.71073","MoKα","","","0.0571","","","0.0589","","","","","","","","","","","has coordinates","189831","2020-10-21","18:00:00",""
"7227085","8.938","0.004","11.742","0.005","12.745","0.006","90","","90","","90","","1337.6","1","299","2","299","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(2'-hydroxybenzylidene)nopinone","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Yang, Jinlai; Xu, Xu; Yang, Yiqin; Rui, Jian; Zhang, Yan; Kuang, Hongbo; Wang, Shifa; Wu, Liangru","Synthesis, optical properties, and acid-base indicating performance of novel ketene hydroxybenzylidene nopinone derivatives","RSC Adv.","2016","","","","","10.1039/C6RA20809F","","","0.71073","MoKα","","0.0561","0.0464","","","0.121","0.128","","","","","","1.03","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7227141","10.035","0.0003","11.632","0.0003","18.666","0.0006","90","","90","","90","","2178.83","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Co N3 O5 -","- C25 H17 Co N3 O5 -","- C100 H68 Co4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0501","0.0399","","","0.0798","0.0861","","","","","","1.012","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227146","10.0211","0.0005","11.6063","0.0008","18.7216","0.0011","90","","90","","90","","2177.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 N3 O5 Zn -","- C25 H17 N3 O5 Zn -","- C100 H68 N12 O20 Zn4 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0641","0.0464","","","0.0646","0.0745","","","","","","1.074","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227147","10.1184","0.0004","11.542","0.0004","18.8913","0.0009","90","","90","","90","","2206.25","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Mn N3 O5 -","- C25 H17 Mn N3 O5 -","- C100 H68 Mn4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0676","0.0471","","","0.0725","0.082","","","","","","1.013","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227148","10.0257","0.0003","11.6347","0.0006","18.6389","0.0005","90","","90","","90","","2174.15","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Cu N3 O5 -","- C25 H17 Cu N3 O5 -","- C100 H68 Cu4 N12 O20 -","4","1","","Gu, Jin-Zhong; Liang, Xiao-Xiao; Cui, Yan-Hui; Wu, Jiang; Kirillov, Alexander M.","Exploring 4-(3-carboxyphenyl)picolinic acid as a semirigid building block for the hydrothermal self-assembly of diverse metal‒organic and supramolecular networks","CrystEngComm","2017","19","1","117","","10.1039/C6CE02115H","","","0.71073","MoKα","","0.0637","0.0522","","","0.1218","0.1327","","","","","","1.137","","","","has coordinates","191579","2020-10-21","18:00:00",""
"7227177","5.5709","0.0011","15.994","0.003","16.547","0.003","90","","90","","90","","1474.4","0.5","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","","Lin, Jie; Wang, Renlei; Xu, Guohua; Ding, Zhengfeng; Zhu, Xueshen; Liu, Xingzhong; Zou, Jian; Chen, Guodong; Li, Li; Liu, Ling","New cadinane sesquiterpenoids from the basidiomycetous fungus Pholiota sp.","RSC Adv.","2016","","","","","10.1039/C6RA22448B","","","0.71073","MoKα","","0.0471","0.045","","","0.1089","0.1104","","","","","","1.11","","","","has coordinates,has disorder","188669","2020-10-21","18:00:00",""
"7227190","6.87","0.0018","8.309","0.002","22.23","0.006","90","","90","","90","","1269","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","phellandrene anhydride","5-methyl-8-(propan-2-yl)hexahydro-4,7-ethano-2-benzofuran-1,3-dione","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0568","0.0453","","","0.1109","0.1179","","","","","","1.065","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227191","6.9562","0.0018","8.559","0.002","21.752","0.006","90","","90","","90","","1295.1","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5-methyl-8-(propan-2-yl)-3a,4,7,7a-tetrahydro-4,7-ethano-2-benzofuran-1,3-dione","","- C14 H20 O3 -","- C14 H20 O3 -","- C56 H80 O12 -","4","1","","Jezowski, Sebastian R.; Monaco, Stephen; Yennawar, Hemant P.; Wonderling, Nichole M.; Mathers, Robert T.; Schatschneider, Bohdan","Unusual physical behaviour and polymorphic phase transitions in crystalline bicyclic anhydrides","CrystEngComm","2017","19","2","276","","10.1039/C6CE02036D","","","0.71073","MoKα","","0.0688","0.0496","","","0.1315","0.1413","","","","","","1.012","","","","has coordinates","191549","2020-10-21","18:00:00",""
"7227208","5.1207","0.0005","9.1029","0.0008","24.816","0.002","90","","90","","90","","1156.75","0.18","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H F11 N2 -","- C10 H F11 N2 -","- C40 H4 F44 N8 -","4","1","","Quesada-Moreno, María M; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Jacob, Kane; Vendier, Laure; Etienne, Michel; Alkorta, Ibon; Elguero, José; Claramunt, Rosa M.","Supramolecular organization of perfluorinated 1H-indazoles in the solid state using X-ray crystallography, SSNMR and sensitive (VCD) and non sensitive (MIR, FIR and Raman) to chirality vibrational spectroscopies.","Physical chemistry chemical physics : PCCP","2017","19","2","1632","1643","10.1039/c6cp04940k","","x-ray","1.54178","CuKα","","0.0693","0.0625","","","0.1506","0.1542","","","","","","1.161","","","","has coordinates","191758","2020-10-21","18:00:00",""
"7227288","10.3425","0.0005","13.0194","0.0007","13.2226","0.0005","90","","90","","90","","1780.46","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N -","- C24 H19 N -","- C96 H76 N4 -","4","1","","Mallia, Ajith R.; Ramakrishnan, Remya; Niyas, M. A.; Hariharan, Mahesh","Crystalline triphenylamine substituted arenes: solid state packing and luminescence properties","CrystEngComm","2017","19","5","817","","10.1039/C6CE02321E","","","0.71073","MoKα","","0.0405","0.0337","","","0.0841","0.0889","","","","","","1.05","","","","has coordinates","191569","2020-10-21","18:00:00",""
"7227311","6.7549","0.0002","11.0133","0.0003","32.2549","0.0011","90","","90","","90","","2399.56","0.13","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 Co N4 O2 S2 -","- C26 H18 Co N4 O2 S2 -","- C104 H72 Co4 N16 O8 S8 -","4","1","","Rams, Michał; Tomkowicz, Zbigniew; Böhme, Michael; Plass, Winfried; Suckert, Stefan; Werner, Julia; Jess, Inke; Näther, Christian","Influence of metal coordination and co-ligands on the magnetic properties of 1D Co(NCS)2 coordination polymers.","Physical chemistry chemical physics : PCCP","2017","19","4","3232","3243","10.1039/c6cp08193b","","","0.71073","MoKα","","0.0292","0.0265","","","0.0624","0.0632","","","","","","1.055","","","","has coordinates","191761","2020-10-21","18:00:00",""
"7227327","7.604","0.008","9.541","0.01","24.58","0.03","90","","90","","90","","1783","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 S -","- C18 H16 Br2 S -","- C72 H64 Br8 S4 -","4","1","","Cai, Junmei; Cai, Juewang; Zheng, Purui; Wang, Xiaorong; Zhao, Xiaoming","Chiral carbon‒sulfur center formation via Pd-catalyzed asymmetric allylic thioetherification: synthesis of allylic thioethers","RSC Adv.","2017","7","1","256","","10.1039/C6RA26877C","","","0.71073","MoKα","","0.1302","0.0528","","","0.0964","0.1194","","","","","","1.015","","","","has coordinates","189381","2020-10-21","18:00:00",""
"7227336","7.3058","0.0002","12.947","0.0005","17.4452","0.0006","90","","90","","90","","1650.11","0.1","100","","100","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","[6]helicene","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan","Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.","Physical chemistry chemical physics : PCCP","2017","19","4","2900","2907","10.1039/c6cp07552e","","","0.71073","MoKα","","0.0368","0.0331","","0.0825","0.081","0.081","","","","","","0.9382","","","","has coordinates","191760","2020-10-21","18:00:00",""
"7227337","7.3417","0.0003","13.1529","0.0004","17.5885","0.0005","90","","90","","90","","1698.43","0.1","300","","300","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","[6]helicene","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan","Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.","Physical chemistry chemical physics : PCCP","2017","19","4","2900","2907","10.1039/c6cp07552e","","","0.71073","MoKα","","0.0508","0.0392","","0.1126","0.08","0.08","","","","","","0.982","","","","has coordinates","191760","2020-10-21","18:00:00",""
"7227338","7.328","0.0003","13.04","0.0006","17.449","0.0005","90","","90","","90","","1667.38","0.11","150","","150","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","[6]helicene","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Dračínský, Martin; Storch, Jan; Církva, Vladimír; Císařová, Ivana; Sýkora, Jan","Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations.","Physical chemistry chemical physics : PCCP","2017","19","4","2900","2907","10.1039/c6cp07552e","","","0.71073","MoKα","","0.0494","0.0345","","0.0936","0.0795","0.0795","","","","","","1.0363","","","","has coordinates","191760","2020-10-21","18:00:00",""
"7227385","9.008","0.0004","15.383","0.0006","15.627","0.0006","90","","90","","90","","2165.43","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7,7'-(Naphthalene-1,8-diyl)bis(4-methylcoumarin)","","- C30 H20 O4 -","- C30 H20 O4 -","- C120 H80 O16 -","4","1","","Mukhopadhyay, Arindam; Maka, Vijay Kumar; Moorthy, Jarugu Narasimha","Remarkable influence of 'phane effect' on the excited-state properties of cofacially oriented coumarins.","Physical chemistry chemical physics : PCCP","2017","19","6","4758","4767","10.1039/c6cp07720j","","","0.71073","MoKα","","0.1288","0.058","","","0.0947","0.1123","","","","","","1.015","","","","has coordinates","193911","2020-10-21","18:00:00",""
"7227416","5.8792","0.0007","6.8542","0.0008","12.8207","0.0014","90","","90","","90","","516.64","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H3 K N2 O3 -","- C2 H3 K N2 O3 -","- C8 H12 K4 N8 O12 -","4","1","","Chua, Zhijie; Rosadiuk, Kris; Perepichka, Inna; Bohle, Scott","Lewis Acid stabilization and Activation of Primary N-Nitrosamides","RSC Adv.","2017","","","","","10.1039/C6RA24421A","","","0.71073","MoKα","","0.0222","0.0215","","","0.0537","0.0539","","","","","","1.14","","","","has coordinates","190378","2020-10-21","18:00:00",""
"7227446","8.858","0.0006","12.4336","0.0007","17.542","0.0012","90","","90","","90","","1932","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","sd310-42","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","1","","Li, Xin; Li, Xiao-Dong; Li, Xiao-Ming; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","Wentinoids A‒F, six new isopimarane diterpenoids from Aspergillus wentii SD-310, a deep-sea sediment derived fungus","RSC Adv.","2017","7","8","4387","","10.1039/C6RA27209F","","","1.54178","CuKα","","0.0894","0.0567","","","0.1105","0.1289","","","","","","1.037","","","","has coordinates","190582","2020-10-21","18:00:00",""
"7227447","6.6729","0.0005","11.9119","0.0009","23.5741","0.0018","90","","90","","90","","1873.8","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","sd310-40","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","","Li, Xin; Li, Xiao-Dong; Li, Xiao-Ming; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","Wentinoids A‒F, six new isopimarane diterpenoids from Aspergillus wentii SD-310, a deep-sea sediment derived fungus","RSC Adv.","2017","7","8","4387","","10.1039/C6RA27209F","","","1.54178","CuKα","","0.2224","0.096","","","0.2657","0.2979","","","","","","1.27","","","","has coordinates,has disorder","190582","2020-10-21","18:00:00",""
"7227448","9.4327","0.0006","13.1356","0.0009","16.737","0.0009","90","","90","","90","","2073.8","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","sd310-20","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Li, Xin; Li, Xiao-Dong; Li, Xiao-Ming; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","Wentinoids A‒F, six new isopimarane diterpenoids from Aspergillus wentii SD-310, a deep-sea sediment derived fungus","RSC Adv.","2017","7","8","4387","","10.1039/C6RA27209F","","","1.54178","CuKα","","0.0722","0.0502","","","0.1068","0.1211","","","","","","1.034","","","","has coordinates","190582","2020-10-21","18:00:00",""
"7227450","10.4583","0.0001","13.32","0.0002","22.0536","0.0003","90","","90","","90","","3072.17","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O7 -","- C34 H44 O7 -","- C136 H176 O28 -","4","1","","Wu, Jie-Wei; Tang, Chunping; Ke, Chang-Qiang; Yao, Sheng; Liu, Hong-Chun; Lin, Li-Gen; Ye, Yang","Dicarabrol A, dicarabrone C and dipulchellin A, unique sesquiterpene lactone dimers from Carpesium abrotanoides","RSC Adv.","2017","7","8","4639","","10.1039/C6RA27626A","","","1.54178","CuKα","","0.1011","0.0993","","","0.3028","0.3076","","","","","","1.539","","","","has coordinates,has disorder","190584","2020-10-21","18:00:00",""
"7227454","8.7719","0.0017","12.685","0.002","12.779","0.003","90","","90","","90","","1421.9","0.5","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 F6 P Ru -","- C13 H15 F6 P Ru -","- C52 H60 F24 P4 Ru4 -","4","1","","Tominaga, Takumi; Ueda, Takahiro; Mochida, Tomoyuki","Effect of substituents and anions on the phase behavior of Ru(ii) sandwich complexes: exploring the boundaries between ionic liquids and ionic plastic crystals.","Physical chemistry chemical physics : PCCP","2017","19","6","4352","4359","10.1039/c6cp08308k","","","0.71073","MoKα","","0.048","0.0469","","","0.1128","0.114","","","","","","1.045","","","","has coordinates","193912","2020-10-21","18:00:00",""
"7227543","31.234","0.006","4.818","0.001","11.669","0.002","90","","90","","90","","1756","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(1-pyrenyl)-1-(4-chlorophenyl) prop-2-en-1-one","","- C25 H15 Cl O -","- C25 H15 Cl O -","- C100 H60 Cl4 O4 -","4","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.1937","0.071","","","0.0861","0.1172","","","","","","1.004","","","","has coordinates","191007","2020-10-21","18:00:00",""
"7227639","6.9864","0.0004","12.7821","0.0007","20.9934","0.0011","90","","90","","90","","1874.73","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Cl7 N Nb O -","- C11 H15 Cl7 N Nb O -","- C44 H60 Cl28 N4 Nb4 O4 -","4","1","","Biancalana, Lorenzo; Bortoluzzi, Marco; Ferretti, Eleonora; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactions of α-amino acids and α-amino acid esters with high valent transition metal halides: synthesis of coordination complexes, activation processes and stabilization of α-ammonium acylchloride cations","RSC Adv.","2017","7","17","10158","","10.1039/C7RA00073A","","","0.71073","MoKα","","0.0268","0.0249","","","0.057","0.0575","","","","","","1.214","","","","has coordinates","191855","2020-10-21","18:00:00",""
"7227671","9.1382","0.0013","9.8141","0.0015","24.597","0.004","90","","90","","90","","2205.9","0.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O4 S -","- C25 H24 N2 O4 S -","- C100 H96 N8 O16 S4 -","4","1","","Li, Feifei; Cao, Guorui; Gao, Yanfeng; Teng, Dawei","Cu(ii)/DM-Segphos catalyzed asymmetric 1,3-dipolar cycloaddition of benzoisothiazole-2,2-dioxide-3-ylidenes and azomethine ylides","RSC Adv.","2017","7","18","10816","","10.1039/C6RA26543J","","","0.71073","MoKα","","0.0342","0.0339","","","0.0811","0.0813","","","","","","1.072","","","","has coordinates","191970","2020-10-21","18:00:00",""
"7227712","4.92","0.001","13.034","0.003","36.789","0.007","90","","90","","90","","2359.2","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 F N O5 S -","- C26 H26 F N O5 S -","- C104 H104 F4 N4 O20 S4 -","4","1","","Pizzi, A.; Lascialfari, L.; Demitri, N.; Bertolani, A.; Maiolo, D.; Carretti, E.; Metrangolo, P.","Halogen bonding modulates hydrogel formation from Fmoc amino acids","CrystEngComm","2017","19","14","1870","","10.1039/C7CE00031F","","","0.8","Synchrotron","","0.1448","0.115","","","0.2979","0.3191","","","","","","1.081","","","","has coordinates,has disorder","195037","2020-10-21","18:00:00",""
"7227731","8.5924","0.0017","12.938","0.003","14.25","0.003","90","","90","","90","","1584.2","0.6","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","VA2","N-(5-methyl-2-hydroxyphenyl)-2-propylpentanamide","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C60 H92 N4 O8 -","4","1","","Alpuche-García, Andrea; Dávila-González, Xochitl; Arregui, Leticia; Beltrán, Hiram I.","Novel valproic aminophenol amides with enhanced glial cell viability effect","RSC Adv.","2017","7","20","12391","","10.1039/C7RA00048K","","","0.71073","MoKα","","0.0939","0.0558","","","0.1151","0.1306","","","","","","1.0912","","","","has coordinates","192455","2020-10-21","18:00:00",""
"7227748","11.8249","0.0002","13.9462","0.0003","26.1937","0.0005","90","","90","","90","","4319.67","0.14","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","2,5-Bis(17alpha-ethynyl-estra-1,3,5-(10)-trien-17beta-ol-3-methyl ether)-4-nitroaniline","","- C48 H54 N2 O6 -","- C48 H54 N2 O6 -","- C192 H216 N8 O24 -","4","1","","Aguilar-Valdez, Nancy; Maldonado-Domínguez, Mauricio; Arcos-Ramos, Rafael; Romero-Ávila, Margarita; Santillan, Rosa; Farfán, Norberto","Synthesis of steroidal molecular compasses: exploration of the controlled assembly of solid organic materials","CrystEngComm","2017","19","13","1771","","10.1039/C7CE00157F","","x-ray","0.71073","MoKα","","0.0843","0.0547","","","0.1386","0.1544","","","","","","1.03","","","","has coordinates","195026","2020-10-21","18:00:00",""
"7227833","10.383","0.00014","21.4869","0.0004","25.4145","0.0003","90","","90","","90","","5669.94","0.15","93","","93","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","(Dipp-BIANF)FeCl2","","","- C68 H71 Cl2 F Fe N2 O3 -","- C68 H71 Cl2 F Fe N2 O3 -","- C272 H284 Cl8 F4 Fe4 N8 O12 -","4","1","","Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao","Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds","RSC Adv.","2017","7","25","15321","","10.1039/C7RA01511A","","x-ray","1.54184","CuKα","","0.0378","0.0361","","","0.0959","0.0972","","","","","","1.026","","","","has coordinates,has disorder","194154","2020-10-21","18:00:00",""
"7227845","6.1435","0.0005","17.5376","0.0012","18.541","0.0014","90","","90","","90","","1997.6","0.3","294.05","0.1","294.05","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Cl N2 O2 -","- C22 H27 Cl N2 O2 -","- C88 H108 Cl4 N8 O8 -","4","1","","Huang, Jiu-Lin; Lv, Min; Xu, Hui","Semisynthesis of some matrine ether derivatives as insecticidal agents","RSC Adv.","2017","7","26","15997","","10.1039/C7RA00954B","","x-ray","0.71073","MoKα","","0.157","0.0677","","","0.1113","0.1654","","","","","","1.052","","","","has coordinates","194224","2020-10-21","18:00:00",""
"7227856","18.4059","0.0007","18.7645","0.0009","34.5211","0.0014","90","","90","","90","","11922.8","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81 H68 Cu4 N O20 -","- C81 H65 Cu4 N O20 -","- C324 H260 Cu16 N4 O80 -","4","1","","Robin, Julien; Audebrand, Nathalie; Poriel, Cyril; Canivet, Jerôme; Calvez, Guillaume; Roisnel, Thierry; Dorcet, Vincent; Roussel, Pascal","A series of chiral metal‒organic frameworks based on fluorene di- and tetra-carboxylates: syntheses, crystal structures and luminescence properties","CrystEngComm","2017","19","15","2042","","10.1039/C7CE00108H","","","0.71073","MoKα","","0.1036","0.0767","","","0.2268","0.2458","","","","","","1.045","","","","has coordinates","196389","2020-10-21","18:00:00",""
"7227860","11.895","0.0005","7.3902","0.0002","18.7683","0.0005","90","","90","","90","","1649.85","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly{[triaqua(mu-6-aminopyridine-3-carboxylato-kN:kO)(6-aminopyridine-3-carboxylato-kO')cobalt(II)]dihydrate}","","- C12 H20 Co N4 O9 -","- C12 H20 Co N4 O9 -","- C48 H80 Co4 N16 O36 -","4","1","","Rodríguez-Diéguez, Antonio; Pérez-Yáñez, Sonia; Ruiz-Rubio, Leire; Seco, Jose M.; Cepeda, Javier","From isolated to 2D coordination polymers based on 6-aminonicotinate and 3d-metal ions: towards field-induced single-ion-magnets","CrystEngComm","2017","19","16","2229","","10.1039/C7CE00234C","","","0.71073","MoKα","","0.0393","0.0334","","","0.069","0.0726","","","","","","1.035","","","","has coordinates","196385","2020-10-21","18:00:00",""
"7227904","9.995","0.005","18.248","0.005","22.57","0.005","90","0.005","90","0.005","90","0.005","4117","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 Cd3 O26 -","- C32 H40 Cd3 O26 -","- C128 H160 Cd12 O104 -","4","1","","Gupta, Anoop K.; Tomar, Kapil; Bharadwaj, Parimal K.","Cd(ii) coordination polymers constructed with a flexible carboxylate linker and pyridyl co-linkers: variation in the network topologies and photoluminescence properties","CrystEngComm","2017","19","16","2253","","10.1039/C7CE00156H","","","0.71069","MoKα","","0.0511","0.0388","","","0.09","0.0972","","","","","","1.08","","","","has coordinates","196381","2020-10-21","18:00:00",""
"7227920","3.8841","0.0002","11.6062","0.0006","27.622","0.0012","90","","90","","90","","1245.19","0.11","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Qian, Zongzheng; Li, Dongxue; Xie, Tongqing; Zhang, Xuepeng; He, Yang; Ai, Yuejie; Zhang, Guoqing","Curved fractal structures of pyridine-substituted β-diketone crystals","CrystEngComm","2017","19","17","2283","","10.1039/C7CE00462A","","","1.54184","CuKα","","0.0454","0.0404","","","0.1083","0.1139","","","","","","1.077","","","","has coordinates,has disorder","196375","2020-10-21","18:00:00",""
"7227949","12.9321","0.0004","19.0714","0.0006","21.9285","0.0007","90","","90","","90","","5408.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N4 O4 P2 -","- C28 H30 N4 O4 P2 -","- C224 H240 N32 O32 P16 -","8","2","","Gholivand, Khodayar; Hosseini, Mahdieh; Ebrahimi valmoozi, Ali Asghar; Farshadfar, Kaveh","Polymorphism, Pseudo-polymorphism, and Conformerism in the Crystal Structure of Piperazine-N,N’-bis(N,O-diphenyl phosphoramidate)","CrystEngComm","2017","","","","","10.1039/C7CE00039A","","","0.71073","MoKα","","0.0393","0.032","","","0.0844","0.09","","","","","","1.065","","","","has coordinates","194631","2020-10-21","18:00:00",""
"7227957","12.485","0.003","13.08","0.003","23.566","0.005","90","","90","","90","","3848.4","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Bi2 I9 N6 O0 -","- C18 H21 Bi2 I9 N6 -","- C72 H84 Bi8 I36 N24 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","New discrete iodometallates with in situ generated triimidazole derivatives as countercations (Mn+ = Ag+, Pb2+, Bi3+)","RSC Adv.","2017","7","31","19073","","10.1039/C6RA27510A","","","0.71073","MoKα","","0.0526","0.0382","","","0.0665","0.0705","","","","","","1.04","","","","has coordinates","194638","2020-10-21","18:00:00",""
"7228094","7.00418","0.00008","15.07922","0.00014","15.68796","0.00017","90","","90","","90","","1656.92","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Liu, Zhi-Wen; Tang, Ben-Qin; Zhang, Qing-Hua; Wang, Wen-Jing; Huang, Xiao-Jun; Zhang, Jian; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Ervaoffines E‒G, three iboga-type alkaloids featuring ring C cleavage and rearrangement from Ervatamia officinalis","RSC Adv.","2017","7","35","21883","","10.1039/C7RA03411C","","x-ray","1.54184","CuKα","","0.0309","0.0302","","","0.076","0.0769","","","","","","1.044","","","","has coordinates","195619","2020-10-21","18:00:00",""
"7228095","8.7507","0.0001","14.3787","0.0002","27.3576","0.0004","90","","90","","90","","3442.23","0.08","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Lirofolines A","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C160 H192 N16 O16 -","8","2","","Liu, Zhi-Wen; Tang, Ben-Qin; Zhang, Qing-Hua; Wang, Wen-Jing; Huang, Xiao-Jun; Zhang, Jian; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Ervaoffines E‒G, three iboga-type alkaloids featuring ring C cleavage and rearrangement from Ervatamia officinalis","RSC Adv.","2017","7","35","21883","","10.1039/C7RA03411C","","","1.5418","CuKα","","0.0309","0.0291","","","0.0722","0.0737","","","","","","1.092","","","","has coordinates","195619","2020-10-21","18:00:00",""
"7228101","12.666","0.002","13.2","0.003","13.728","0.003","90","","90","","90","","2295.2","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.2113","0.0921","","","0.2355","0.2808","","","","","","0.927","","","","has coordinates","195652","2020-10-21","18:00:00",""
"7228113","6.0056","0.0001","18.0532","0.0004","23.3138","0.0005","90","","90","","90","","2527.69","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C116 H176 O12 -","4","1","","Chen, Ming; Chen, Li-Feng; Li, Man-Mei; Li, Ni-Ping; Cao, Jia-Qing; Wang, Ying; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai","Myrtucomvalones A‒C, three unusual triketone‒sesquiterpene adducts from the leaves of Myrtus communis ‘Variegata’","RSC Adv.","2017","7","37","22735","","10.1039/C7RA02260C","","","1.54178","CuKα","","0.0327","0.0299","","","0.075","0.0779","","","","","","1.063","","","","has coordinates","195778","2020-10-21","18:00:00",""
"7228250","11.841","0.006","12.064","0.003","13.693","0.005","90","","90","","90","","1956","1.3","100.6","","100.6","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O3 -","- C22 H29 N3 O3 -","- C88 H116 N12 O12 -","4","1","","Wu, Chang-Jing; Li, Chang-Wei; Gao, Hao; Huang, Xiao-Jun; Cui, Cheng-Bin","Penicimutamides D‒E: two new prenylated indole alkaloids from a mutant of the marine-derived Penicillium purpurogenum G59","RSC Adv.","2017","7","40","24718","","10.1039/C7RA02446K","","","1.5418","CuKα","","0.0434","0.041","","","0.1039","0.1065","","","","","","1.036","","","","has coordinates","196574","2020-10-21","18:00:00",""
"7228256","9.0731","0.0017","9.3483","0.0017","17.357","0.003","90","","90","","90","","1472.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br O6 -","- C14 H13 Br O6 -","- C56 H52 Br4 O24 -","4","1","","Guo, Yan-Jun; Xia, Ai-Bao; Meng, Chen-Hong; Xu, Zhen Yuan; Xu, Danqian","Direct Conversion of γ,γ-Dicarbonyl-Substituted Aldehydes into γ- Lactones with a Sodium Chlorite/DBDMH Combination","Green Chem.","2017","","","","","10.1039/C7GC00144D","","","0.71073","MoKα","","0.058","0.0386","","","0.0819","0.0889","","","","","","0.985","","","","has coordinates","196610","2020-10-21","18:00:00",""
"7228269","7.17009","0.00012","13.9391","0.0002","25.7472","0.0004","90","","90","","90","","2573.29","0.07","100","0.1","100","0.1","","","","","","","yes","3","P 21 21 21","P 2ac 2ab","19","Procyanidyn A2","(2R,3R,8S,14R,15R)-2,8-bis(3,4-dihydroxyphenyl)-2,3,4,14-tetrahydro-8,14-methanobenzo[7,8][1,3]dioxocino[4,5-h]chromene-3,5,11,13,15-pentaol","","- C30 H28 O14 -","- C30 H28 O14 -","- C120 H112 O56 -","4","1","","Dudek, Marta K.; Bujacz, Grzegorz; Potrzebowski, Marek J.","Experimental tests for quality validation of computationally predicted crystal structures ‒ a case of a conformationally flexible procyanidin A-2 dihydrate","CrystEngComm","2017","","","","","10.1039/C7CE00618G","","x-ray","1.54184","CuKα","","0.0358","0.0343","","","0.0914","0.0931","","","","","","1.041","","","","has coordinates","204140","2020-10-21","18:00:00",""
"7228288","7.7777","0.0004","13.5678","0.0007","16.7615","0.0009","90","","90","","90","","1768.78","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O2 -","- C22 H28 O2 -","- C88 H112 O8 -","4","1","","Werner, Georg; Rodygin, Konstantin S.; Kostin, Anton A.; Gordeev, Evgeniy G.; Kashin, Alexey S.; Ananikov, Valentine P.","A solid acetylene reagent with enhanced reactivity: fluoride-mediated functionalization of alcohols and phenols","Green Chem.","2017","","","","","10.1039/C7GC00724H","","","0.71073","MoKα","","0.0475","0.0393","","","0.0911","0.095","","","","","","1.035","","","","has coordinates","196894","2020-10-21","18:00:00",""
"7228310","4.8187","0.0003","9.755","0.0006","20.3555","0.0013","90","","90","","90","","956.84","0.1","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 Cl N2 O S -","- C9 H7 Cl N2 O S -","- C36 H28 Cl4 N8 O4 S4 -","4","1","","shukla, rahul; Khan, Imtiaz; Ibrar, Aliya; Simpson, Jim; Chopra, Deepak","Complex Electronic interplay of -hole and π-hole interactions in crystals of halogen substituted 1,3,4-oxadiazol-2(3H)-thiones","CrystEngComm","2017","","","","","10.1039/C7CE00678K","","","0.71073","MoKα","","0.0297","0.0264","","","0.0661","0.0677","","","","","","1.056","","","","has coordinates","196955","2020-10-21","18:00:00",""
"7228338","10.472","0.0007","17.0011","0.0011","17.1489","0.0008","90","","90","","90","","3053.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","2","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.7107","MoKα","","0.1362","0.0684","","","0.1173","0.1568","","","","","","1.073","","","","has coordinates","197021","2020-10-21","18:00:00",""
"7228339","5.7078","0.0004","17.242","0.0012","21.441","0.003","90","","90","","90","","2110.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N O5 -","- C23 H22 F N O5 -","- C92 H88 F4 N4 O20 -","4","1","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.71","MoKα","","0.1856","0.0739","","","0.1471","0.2147","","","","","","1.046","","","","has coordinates","197021","2020-10-21","18:00:00",""
"7228366","7.3079","0.0003","12.9491","0.0006","17.4393","0.0008","90","","90","","90","","1650.29","0.13","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","(M)-[6]helicene","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Yoshida, Yukihiro; Nakamura, Yuto; Kishida, Hideo; Hayama, Hiromi; Nakano, Yoshiaki; Yamochi, Hideki; Saito, Gunzi","Racemic Charge-Transfer Complexes of Helical Polycyclic Aromatic Hydrocarbon Molecule","CrystEngComm","2017","","","","","10.1039/C7CE00763A","","","0.71073","MoKα","","0.0331","0.0294","","","0.0708","0.0724","","","","","","1.058","","","","has coordinates","197184","2020-10-21","18:00:00",""
"7228389","9.094","0.0006","12.7134","0.0005","33.9463","0.0014","90","","90","","90","","3924.7","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H9 O11 Zn2 -","- C23 H9 O11 Zn2 -","- C92 H36 O44 Zn8 -","4","1","","Liu, Jian-Qiang; SINGH, AMITA; Kumar, Abhinav; Wu, Xiren; Wang, Jun; Batten, Stuart R.; Li, Baohong","An uncommon (5,5)-connected 3D metal organic material for selective and sensitive sensing of nitroaromatics and ferric ion: experimental studies and theoretical analysis","CrystEngComm","2017","","","","","10.1039/C7CE00912G","","","1.54184","CuKα","","0.0983","0.0878","","","0.2365","0.2531","","","","","","0.987","","","","has coordinates","197545","2020-10-21","18:00:00",""
"7228398","8.6487","0.0002","9.628","0.0002","10.6343","0.0002","90","","90","","90","","885.51","0.03","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C40 H40 O16 -","4","1","","Steinbauer, J.; Spannenberg, A.; Werner, T.","An in situ formed Ca2±-crown ether complex and its use in CO2-fixation reactions with terminal and internal epoxides","Green Chem.","2017","","","","","10.1039/C7GC01114H","","","1.54178","CuKα","","0.0283","0.0282","","","0.0707","0.0708","","","","","","1.113","","","","has coordinates","197592","2020-10-21","18:00:00",""
"7228605","7.7835","0.0006","12.1558","0.0008","28.405","0.003","90","","90","","90","","2687.5","0.4","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C132 H160 O16 -","4","1","","Tian, Wen-Jing; Qiu, Yu-Qin; Chen, Jun-Jie; Yao, Xiao-Jun; Wang, Guang-Hui; Dai, Yi; Chen, Hai-Feng; Yao, Xin-Sheng","Norsampsone E, an unprecedented decarbonyl polycyclic polyprenylated acylphloroglucinol with a homoadamantyl core from Hypericum sampsonii","RSC Adv.","2017","7","53","33113","","10.1039/C7RA05947G","","x-ray","1.54184","CuKα","","0.1367","0.0977","","","0.2371","0.275","","","","","","1.069","","","","has coordinates","198277","2020-10-21","18:00:00",""
"7228606","14.15822","0.00019","17.0208","0.0003","24.2524","0.0004","90","","90","","90","","5844.45","0.16","150.05","0.1","150.05","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 O5 -","- C33 H42 O5 -","- C264 H336 O40 -","8","2","","Tian, Wen-Jing; Qiu, Yu-Qin; Chen, Jun-Jie; Yao, Xiao-Jun; Wang, Guang-Hui; Dai, Yi; Chen, Hai-Feng; Yao, Xin-Sheng","Norsampsone E, an unprecedented decarbonyl polycyclic polyprenylated acylphloroglucinol with a homoadamantyl core from Hypericum sampsonii","RSC Adv.","2017","7","53","33113","","10.1039/C7RA05947G","","","1.54184","CuKα","","0.0423","0.0396","","","0.0993","0.1022","","","","","","1.045","","","","has coordinates,has disorder","198277","2020-10-21","18:00:00",""
"7228607","9.8352","0.0005","11.51","0.0007","49.946","0.003","90","","90","","90","","5654","0.6","160","0.14","160","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 O5 -","- C33 H42 O5 -","- C264 H336 O40 -","8","2","","Tian, Wen-Jing; Qiu, Yu-Qin; Chen, Jun-Jie; Yao, Xiao-Jun; Wang, Guang-Hui; Dai, Yi; Chen, Hai-Feng; Yao, Xin-Sheng","Norsampsone E, an unprecedented decarbonyl polycyclic polyprenylated acylphloroglucinol with a homoadamantyl core from Hypericum sampsonii","RSC Adv.","2017","7","53","33113","","10.1039/C7RA05947G","","","1.54184","CuKα","","0.0573","0.042","","","0.0849","0.0932","","","","","","0.999","","","","has coordinates","198277","2020-10-21","18:00:00",""
"7228623","9.16165","0.00019","9.5804","0.0002","25.5833","0.0006","90","","90","","90","","2245.5","0.08","103.3","","103.3","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N2 O8 S2 -","- C20 H30 N2 O8 S2 -","- C80 H120 N8 O32 S8 -","4","1","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A‒M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.0414","0.0394","","","0.0994","0.1015","","","","","","1.031","","","","has coordinates,has disorder","198359","2020-10-21","18:00:00",""
"7228624","14.08776","0.00018","15.89161","0.00019","27.952","0.0004","90","","90","","90","","6257.82","0.14","99.9","","99.9","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20.21 H22.84 N2 O5.4 S2 -","- C20.2107 H22.8427 N2 O5.40967 S2 -","- C242.528 H274.112 N24 O64.916 S24 -","12","3","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A‒M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.0463","0.0449","","","0.1163","0.1175","","","","","","1.073","","","","has coordinates,has disorder","198359","2020-10-21","18:00:00",""
"7228625","8.27744","0.00017","10.60684","0.0002","21.3739","0.0004","90","","90","","90","","1876.57","0.06","102.4","","102.4","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O6 S2 -","- C19 H22 N2 O6 S2 -","- C76 H88 N8 O24 S8 -","4","1","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A‒M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.033","0.0323","","","0.082","0.0827","","","","","","1.051","","","","has coordinates","198359","2020-10-21","18:00:00",""
"7228627","9.5541","0.0009","13.1555","0.0017","15.7112","0.0006","90","","90","","90","","1974.7","0.3","101.8","","101.8","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O7 S2 -","- C19 H24 N2 O7 S2 -","- C76 H96 N8 O28 S8 -","4","1","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A‒M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.03","0.0293","","","0.0765","0.0772","","","","","","1.08","","","","has coordinates","198359","2020-10-21","18:00:00",""
"7228641","10.5518","0.0005","10.7827","0.0005","32.7161","0.0013","90","","90","","90","","3722.3","0.3","80","","80","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 N O6 -","- C50 H41 N O6 -","- C200 H164 N4 O24 -","4","1","","Buffeteau, Thierry; Pitrat, Delphine; Daugey, Nicolas; Calin, Nathalie; Jean, Marion; Vanthuyne, Nicolas; Ducasse, Laurent; Wien, Frank; Brotin, Thierry","Chiroptical properties of cryptophane-111","Phys. Chem. Chem. Phys.","2017","","","","","10.1039/C7CP02045G","","","1.54184","CuKα","","0.059","0.0526","","","0.1197","0.1269","","","","","","1.069","","","","has coordinates","198504","2020-10-21","18:00:00",""
"7228656","7.483","0.0015","14.109","0.003","17.972","0.004","90","","90","","90","","1897.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Mn N5 O5 -","- C19 H17 Mn N5 O5 -","- C76 H68 Mn4 N20 O20 -","4","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","","0.71073","MoKα","","0.0453","0.0453","","","0.1229","0.1229","","","","","","1.074","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228659","7.585","0.0015","14.052","0.003","18.237","0.004","90","","90","","90","","1943.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 Cd N4 O4 -","- C16 H10 Cd N4 O4 -","- C64 H40 Cd4 N16 O16 -","4","1","","li, bao; Mao, Nannan; hu, peng; Yu, Fan; Chen, Xi; Zhuang, Gui-lin; Zhang, Tianle","A series of transitional metal coordination polymers based on a rigid bi-functional carboxylate-triazolate tecton","CrystEngComm","2017","","","","","10.1039/C7CE00808B","","","0.71073","MoKα","","0.0515","0.0511","","","0.1468","0.1485","","","","","","1.095","","","","has coordinates","198566","2020-10-21","18:00:00",""
"7228671","8.6807","0.0003","10.7996","0.0003","15.8435","0.0006","90","","90","","90","","1485.3","0.09","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 F N2 O3 S -","- C16 H13 F N2 O3 S -","- C64 H52 F4 N8 O12 S4 -","4","1","","Lee, Sang Gyu; Kim, Sung-Gon","An asymmetric Brønsted acid-catalyzed Friedel‒Crafts reaction of indoles with cyclic N-sulfimines","RSC Adv.","2017","7","54","34283","","10.1039/C7RA06244C","","","0.71073","MoKα","","0.0423","0.0334","","","0.0805","0.0849","","","","","","1.092","","","","has coordinates","198622","2020-10-21","18:00:00",""
"7228694","8.5601","0.0009","14.9864","0.0013","23.2722","0.0018","90","","90","","90","","2985.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 N O7 -","- C32 H43 N O7 -","- C128 H172 N4 O28 -","4","1","","Liu, Mengyujie; Lu, Chunhua; Tang, Ruocong; Li, Shanren; Wang, Haoxin; Shen, Yuemao","Neoansamycins from Streptomyces sp. LZ35","RSC Adv.","2017","7","56","35460","","10.1039/C7RA06339C","","","1.54178","CuKα","","0.1577","0.0778","","","0.1356","0.1854","","","","","","1.003","","","","has coordinates,has disorder","198781","2020-10-21","18:00:00",""
"7228712","6.8674","0.0003","13.0958","0.0006","22.6828","0.0011","90","","90","","90","","2039.96","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 S2 -","- C22 H20 O4 S2 -","- C88 H80 O16 S8 -","4","1","","Dai, Chenshu; Wang, Junqi; Deng, Siqi; Zhou, Candong; Zhang, Wenhe; Zhu, Qiuhua; Tang, Xiaodong","Acid-mediated sulfonylation of arylethynylene bromides with sodium arylsulfinates: synthesis of (E)-1,2-bis(arylsulfonyl)ethylenes and arylacetylenic sulfones","RSC Adv.","2017","7","57","36112","","10.1039/C7RA07105A","","","1.54184","CuKα","","0.0329","0.0326","","","0.0878","0.088","","","","","","1.089","","","","has coordinates","198883","2020-10-21","18:00:00",""
"7228744","7.5813","0.0006","7.9328","0.0005","28.45","0.003","90","","90","","90","","1711","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1BrPB-FA","","- C22 H10 Br F5 -","- C22 H10 Br F5 -","- C88 H40 Br4 F20 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.0656","0.0499","","","0.0979","0.1063","","","","","","1.027","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228745","7.5282","0.0002","7.8131","0.0002","28.2918","0.0009","90","","90","","90","","1664.08","0.08","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1ClPB-FA","","- C22 H10 Cl F5 -","- C22 H10 Cl F5 -","- C88 H40 Cl4 F20 -","4","1","","Li, Li Li; Wang, Hui; Wang, Weizhou; Jin, Wei Jun","Interactions between haloperfluorobenzenes and fluoranthene in luminescent cocrystals from π‒hole···π to σ‒hole···π bonds","CrystEngComm","2017","","","","","10.1039/C7CE00950J","","x-ray","0.71073","MoKα","","0.026","0.0255","","","0.0639","0.0643","","","","","","1.11","","","","has coordinates","199014","2020-10-21","18:00:00",""
"7228755","13.546","","24.517","","27.817","","90","","90","","90","","9238.23","","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H87 N2 O4 Sc -","- C84 H87 N2 O4 Sc -","- C336 H348 N8 O16 Sc4 -","4","1","","Fei, Zenghui; Zeng, Chao; Lu, Chengrong; Zhao, Bei; Yao, Yingming","An efficient asymmetric hydrophosphonylation of unsaturated amides catalyzed by rare-earth metal amides [(Me3Si)2N]3RE(μ-Cl)Li(THF)3 with phenoxy-functionalized chiral prolinols","RSC Adv.","2017","7","31","19306","","10.1039/C7RA00468K","","","0.71073","MoKα","","0.0651","0.0554","","","0.1503","0.16","","","","","","1.008","","","","has coordinates","199043","2020-10-21","18:00:00",""
"7228756","9.6958","0.0008","10.0818","0.0009","21.4683","0.0019","90","","90","","90","","2098.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O4 P -","- C20 H26 N O4 P -","- C80 H104 N4 O16 P4 -","4","1","","Fei, Zenghui; Zeng, Chao; Lu, Chengrong; Zhao, Bei; Yao, Yingming","An efficient asymmetric hydrophosphonylation of unsaturated amides catalyzed by rare-earth metal amides [(Me3Si)2N]3RE(μ-Cl)Li(THF)3 with phenoxy-functionalized chiral prolinols","RSC Adv.","2017","7","31","19306","","10.1039/C7RA00468K","","","0.71073","MoKα","","0.1537","0.0599","","","0.1074","0.1356","","","","","","0.915","","","","has coordinates","199043","2020-10-21","18:00:00",""
"7228785","9.4049","0.0006","17.1433","0.0011","20.5503","0.0013","90","","90","","90","","3313.3","0.4","125","2","125.07","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 Al N2 O -","- C36 H49 Al N2 O -","- C144 H196 Al4 N8 O4 -","4","1","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.0517","0.0413","","","0.0972","0.1031","","","","","","1.029","","","","has coordinates","199366","2020-10-21","18:00:00",""
"7228794","4.1206","0.0001","12.0535","0.0004","21.2191","0.0007","90","","90","","90","","1053.9","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Cl N5 -","- C11 H8 Cl N5 -","- C44 H32 Cl4 N20 -","4","1","","Avasthi, Ilesha; Khanna, Shruti; Tripathi, Santosh K.; Verma, Sandeep","N9 substituent mediated structural tuning of copper‒purine complexes: chelate effect and thin film studies","CrystEngComm","2017","","","","","10.1039/C7CE01017F","","","0.71073","MoKα","","0.0428","0.0354","","","0.0772","0.0806","","","","","","1.104","","","","has coordinates","199394","2020-10-21","18:00:00",""
"7228867","9.7762","0.0005","11.4779","0.0005","24.3526","0.0011","90","","90","","90","","2732.6","0.2","89","2","89","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3-methoxyphenyl)-2-naphthamide","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","2","","shukla, rahul; Saeed, Aamer; Simpson, Jim; Chopra, Deepak","Quantitative investigation of C-H…π and other intermolecular interactions in a series of crystalline N-(substituted phenyl)-2-naphthamide derivatives.","CrystEngComm","2017","","","","","10.1039/C7CE01310H","","","0.71073","MoKα","","0.0555","0.0431","","","0.1073","0.1144","","","","","","1.043","","","","has coordinates","199653","2020-10-21","18:00:00",""
"7228871","4.5363","0.0004","10.125","0.0008","34.375","0.003","90","","90","","90","","1578.8","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 N O S -","- C21 H13 N O S -","- C84 H52 N4 O4 S4 -","4","1","","Niu , Yahui; Xu, Longfei; Wang, Qin; Wu, Haoran; Zhang, Yanrong","Planar 2-(2-hydroxyphenyl)benzothiazole-based dyes functionalized via triple bonds as exceedingly efficient solid-state fluorophores","CrystEngComm","2017","","","","","10.1039/C7CE01108C","","","0.71073","MoKα","","0.068","0.0446","","","0.0649","0.0684","","","","","","1.076","","","","has coordinates","199654","2020-10-21","18:00:00",""
"7228922","11.16653","0.00006","16.03601","0.0001","24.54325","0.00015","90","","90","","90","","4394.88","0.05","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N2,N6-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide tetra-butyl ammonium fluoride complex","","","- C49 H61 F N6 O4 -","- C49 H61 F N6 O4 -","- C196 H244 F4 N24 O16 -","4","1","","Helttunen, Kaisa; Annala, Riia; Suhonen, Aku; Nauha, Elisa; Linnanto, Juha; Nissinen, Maija","Supramolecular chirality and symmetry breaking of fluoride complexes of achiral foldamers","CrystEngComm","2017","","","","","10.1039/C7CE01109A","","","1.54184","CuKα","","0.033","0.032","","","0.084","0.085","","","","","","1.02","","","","has coordinates","199805","2020-10-21","18:00:00",""
"7228934","16.0396","0.0005","18.4264","0.0004","20.1968","0.0006","90","","90","","90","","5969.2","0.3","123","0.1","123","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H7 F8 I4 N O -","- C10 H7 F8 I4 N O -","- C120 H84 F96 I48 N12 O12 -","12","3","","Topić, Filip; Puttreddy, Rakesh; Rautiainen, J. Mikko; Tuononen, Heikki M.; Rissanen, Kari","Tridentate C‒I⋯O−‒N+ halogen bonds","CrystEngComm","2017","","","","","10.1039/C7CE01381G","","x-ray","0.71073","MoKα","","0.0795","0.0576","","","0.1068","0.1187","","","","","","1.168","","","","has coordinates,has disorder","199831","2020-10-21","18:00:00",""
"7228945","8.1257","0.0008","10.335","0.001","16.0543","0.0015","90","","90","","90","","1348.2","0.2","293","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","MSJ42-11","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","Ma, Shuang-Jiang; Yu, Jie; Fan, Hua-Fang; Li, Zi-Han; Zhang, An-Ling; Zhang, Qiang","Exploring sesquiterpene alkaloid-like scaffolds via Beckmann-transannular remodelling of beta-caryophyllene","RSC Adv.","2017","7","64","40510","","10.1039/C7RA08196K","","","1.54184","CuKα","","0.0422","0.0412","","","0.1187","0.1199","","","","","","1.083","","","","has coordinates","199851","2020-10-21","18:00:00",""
"7228993","10.6178","0.0011","20.6875","0.0019","23.129","0.003","90","","90","","90","","5080.4","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H72 Cl3 Nd O18 P4 -","- C26 H72 Cl3 Nd O18 P4 -","- C104 H288 Cl12 Nd4 O72 P16 -","4","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0473","0.0346","","","0.0721","0.0794","","","","","","1.043","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7229018","9.8335","0.0004","14.0885","0.0006","17.7805","0.0009","90","","90","","90","","2463.3","0.19","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","azido acetate","","- C22 H24 Cl3 N3 O5 -","- C22 H24 Cl3 N3 O5 -","- C88 H96 Cl12 N12 O20 -","4","1","","Chennaiah, Ande; Bhowmick, Srijita; Vankar, Yashwant D.","Conversion of glycals into vicinal-1,2-diazides and 1,2-(or 2,1)-azidoacetates using hypervalent iodine reagents and Me3SiN3. Application in the synthesis of N-glycopeptides, pseudo-trisaccharides and an iminosugar","RSC Adv.","2017","7","66","41755","","10.1039/C7RA08637G","","","0.71073","MoKα","","0.0866","0.0616","","","0.1616","0.1772","","","","","","1.201","","","","has coordinates","200005","2020-10-21","18:00:00",""
"7229058","7.116","0.0004","13.6637","0.0007","19.0629","0.0012","90","","90","","90","","1853.5","0.18","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H33 N3 O9 P2 -","- C10 H33 N3 O9 P2 -","- C40 H132 N12 O36 P8 -","4","1","","Forsyth, Craig M.; Deacon, Glen B.; Junk, Peter Courtney; Greenhill, Neil B.","Recurrent supramolecular scenarios within complex 3-D hydrogen bond networks derived from organic ammonium salts of (4-amino-1-hydroxybutylidine)-1,1-bisphosphonic acid.","CrystEngComm","2017","","","","","10.1039/C7CE01034F","","","0.71073","MoKα","","0.0456","0.0362","","","0.0813","0.086","","","","","","1.048","","","","has coordinates","200192","2020-10-21","18:00:00",""
"7229070","12.7235","0.0011","15.6788","0.0014","22.7752","0.0019","90","","90","","90","","4543.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 N5 Si2 Y -","- C42 H68 N5 Si2 Y -","- C168 H272 N20 Si8 Y4 -","4","1","","Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong","Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands","RSC Adv.","2017","7","68","42792","","10.1039/C7RA07565K","","","0.71073","MoKα","","0.0864","0.0519","","","0.1331","0.1564","","","","","","0.947","","","","has coordinates","200200","2020-10-21","18:00:00",""
"7229071","12.5546","0.0011","15.7504","0.0014","22.813","0.002","90","","90","","90","","4511","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 N5 Si2 Yb -","- C42 H68 N5 Si2 Yb -","- C168 H272 N20 Si8 Yb4 -","4","1","","Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong","Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands","RSC Adv.","2017","7","68","42792","","10.1039/C7RA07565K","","","0.71073","MoKα","","0.0382","0.0311","","","0.0693","0.073","","","","","","0.936","","","","has coordinates","200200","2020-10-21","18:00:00",""
"7229072","12.4507","0.0011","16.3478","0.0015","22.55","0.002","90","","90","","90","","4589.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 N5 Nd Si2 -","- C42 H68 N5 Nd Si2 -","- C168 H272 N20 Nd4 Si8 -","4","1","","Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong","Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands","RSC Adv.","2017","7","68","42792","","10.1039/C7RA07565K","","","0.71073","MoKα","","0.0442","0.0367","","","0.0998","0.1075","","","","","","0.907","","","","has coordinates","200200","2020-10-21","18:00:00",""
"7229073","12.7402","0.0009","15.6814","0.0011","22.7852","0.0016","90","","90","","90","","4552.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 Dy N5 Si2 -","- C42 H68 Dy N5 Si2 -","- C168 H272 Dy4 N20 Si8 -","4","1","","Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong","Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands","RSC Adv.","2017","7","68","42792","","10.1039/C7RA07565K","","","0.71073","MoKα","","0.0419","0.0334","","","0.0917","0.0982","","","","","","1.01","","","","has coordinates","200200","2020-10-21","18:00:00",""
"7229083","4.8225","0.0014","15.9142","0.0019","18.336","0.003","90","","90","","90","","1407.2","0.5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 Ag N3 O9 P -","- C9 H15 Ag N3 O9 P -","- C36 H60 Ag4 N12 O36 P4 -","4","1","","Terron, Angel; Tomas, Llorenç; Bauza, Antonio; garcia-raso, Angel; Fiol, Juan J.; Molins, Elies; Frontera, Antonio","The First X-Ray Structure of a Silver‒Nucleotide Complex: Interaction of Ion Ag(I) with Cytidine-5’-Monophosphate","CrystEngComm","2017","","","","","10.1039/C7CE01400G","","x-ray","0.71073","MoKα","","0.0418","0.0338","","","0.0812","0.0851","","","","","","1.113","","","","has coordinates","200359","2020-10-21","18:00:00",""
"7229151","11.0687","0.0002","12.2272","0.0004","23.802","0.0005","90","","90","","90","","3221.34","0.14","102.3","","102.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","secopierisformoside K","","- C31 H46 O16 -","- C31 H46 O16 -","- C124 H184 O64 -","4","1","","Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan","Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa","RSC Adv.","2017","7","69","43921","","10.1039/C7RA08635K","","","1.5418","CuKα","","0.0512","0.048","","","0.1234","0.1273","","","","","","1.051","","","","has coordinates","200819","2020-10-21","18:00:00",""
"7229152","12.7605","0.0003","15.5108","0.0005","16.9324","0.0004","90","","90","","90","","3351.35","0.16","102.8","","102.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","secopierisformoside N","","- C32 H42 O15.26 -","- C32 H42 O15.263 -","- C128 H168 O61.052 -","4","1","","Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan","Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa","RSC Adv.","2017","7","69","43921","","10.1039/C7RA08635K","","","1.5418","CuKα","","0.0388","0.0366","","","0.0931","0.0951","","","","","","1.031","","","","has coordinates,has disorder","200819","2020-10-21","18:00:00",""
"7229165","9.3153","0.0018","21.323","0.004","30.484","0.006","90","","90","","90","","6055","2","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H40 Cu5 I4 N7 O16 Pr2 -","- C49 H40 Cu5 I4 N7 O16 Pr2 -","- C196 H160 Cu20 I16 N28 O64 Pr8 -","4","1","","Jin, Hong-Guang; Hong, Xu-Jia; Tan, Hao-Chong; Qin, Wei; Lin, Xiao-Ming; Cai, Yue-Peng","Achiral aromatic solvent-induced assemblies of the 3-D homochiral porous 3d-4f heterometallic-organic frameworks based on isonicotinic acid","CrystEngComm","2017","","","","","10.1039/C7CE01580A","","","0.71073","MoKα","","0.1205","0.0722","","","0.0683","0.0788","","","","","","1.069","","","","has coordinates,has disorder","200868","2020-10-21","18:00:00",""
"7229166","9.2472","0.0001","21.2695","0.0002","30.2936","0.0004","90","","90","","90","","5958.25","0.12","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H38 Cu5 I4 N7 O16 Pr2 -","- C48 H38 Cu5 I4 N7 O16 Pr2 -","- C192 H152 Cu20 I16 N28 O64 Pr8 -","4","1","","Jin, Hong-Guang; Hong, Xu-Jia; Tan, Hao-Chong; Qin, Wei; Lin, Xiao-Ming; Cai, Yue-Peng","Achiral aromatic solvent-induced assemblies of the 3-D homochiral porous 3d-4f heterometallic-organic frameworks based on isonicotinic acid","CrystEngComm","2017","","","","","10.1039/C7CE01580A","","","1.54178","CuKα","","0.0683","0.0666","","","0.1715","0.1749","","","","","","1.001","","","","has coordinates","200868","2020-10-21","18:00:00",""
"7229175","7.0515","0.0005","8.1392","0.0006","16.8642","0.0011","90","","90","","90","","967.9","0.12","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H12 Cu N O5 P -","- C7 H12 Cu N O5 P -","- C28 H48 Cu4 N4 O20 P4 -","4","1","","Zhu, Guangshan; liang, xiao qiang; Cai, Kun; Zhang, Feng; Liu, Jia","One, two, and three-dimensional metal-organic coordination polymers derived from enantiopure organic phosphorate: homochirality, water stability and proton conduction","CrystEngComm","2017","","","","","10.1039/C7CE01509G","","","0.71073","MoKα","","0.0219","0.0204","","","0.0472","0.0476","","","","","","1.085","","","","has coordinates","200950","2020-10-21","18:00:00",""
"7229176","6.7846","0.0006","11.3724","0.001","14.25","0.0013","90","","90","","90","","1099.49","0.17","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cu N O6 P -","- C8 H16 Cu N O6 P -","- C32 H64 Cu4 N4 O24 P4 -","4","1","","Zhu, Guangshan; liang, xiao qiang; Cai, Kun; Zhang, Feng; Liu, Jia","One, two, and three-dimensional metal-organic coordination polymers derived from enantiopure organic phosphorate: homochirality, water stability and proton conduction","CrystEngComm","2017","","","","","10.1039/C7CE01509G","","","0.71073","MoKα","","0.0296","0.028","","","0.0797","0.0807","","","","","","1.02","","","","has coordinates","200950","2020-10-21","18:00:00",""
"7229177","8.7089","0.0004","12.6968","0.0005","13.574","0.0005","90","","90","","90","","1500.95","0.11","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Cd2 Cl2 N O7 P -","- C7 H16 Cd2 Cl2 N O7 P -","- C28 H64 Cd8 Cl8 N4 O28 P4 -","4","1","","Zhu, Guangshan; liang, xiao qiang; Cai, Kun; Zhang, Feng; Liu, Jia","One, two, and three-dimensional metal-organic coordination polymers derived from enantiopure organic phosphorate: homochirality, water stability and proton conduction","CrystEngComm","2017","","","","","10.1039/C7CE01509G","","","0.71073","MoKα","","0.0152","0.0149","","","0.0369","0.037","","","","","","1.049","","","","has coordinates","200950","2020-10-21","18:00:00",""
"7229187","4.5002","0.0002","8.7726","0.0003","19.7107","0.0008","90","","90","","90","","778.15","0.05","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 N3 O4 P -","- C4 H8 N3 O4 P -","- C16 H32 N12 O16 P4 -","4","1","","Valdo, Ana Karoline Silva Medanha; Sarotti, Ariel Marcelo; Martins, Felipe Terra","Synthon trends according to acid strength and geometry in salts of N-heterocyclic bases","CrystEngComm","2017","","","","","10.1039/C7CE01490B","","","0.71073","MoKα","","0.0293","0.0279","","","0.068","0.0687","","","","","","1.065","","","","has coordinates","201007","2020-10-21","18:00:00",""
"7229196","10.144","0.0001","13.976","0.0001","16.192","0.0002","90","","90","","90","","2295.58","0.04","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N5 O5 Zn -","- C24 H21 N5 O5 Zn -","- C96 H84 N20 O20 Zn4 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.0317","0.0282","","","0.0664","0.0679","","","","","","1.052","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229199","16.552","0.0002","18.864","0.0002","29.433","0.0003","90","","90","","90","","9190.07","0.17","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H84 N20 O20 Zn4 -","- C96 H84 N20 O20 Zn4 -","- C384 H336 N80 O80 Zn16 -","4","1","","Burrows, Andrew D.; Chan, Siobhan; Gee, William J.; Mahon, Mary F.; Richardson, Christopher; Sebestyen, Viorica M.; Turski, Domenyk; Warren, Mark R.","The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal‒organic frameworks","CrystEngComm","2017","","","","","10.1039/C7CE01447C","","","0.71073","MoKα","","0.0651","0.0389","","","0.0715","0.0782","","","","","","1.061","","","","has coordinates,has disorder","201008","2020-10-21","18:00:00",""
"7229263","4.247","0.003","16.287","0.012","24.172","0.015","90","","90","","90","","1672","2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Zhang, Liang; Liu, Jie; Gao, Junkuo; Lu, Rong; Liu, Fang","Adjustment of the solid fluorescence of a chalcone derivative through controlling steric hindrance","RSC Adv.","2017","7","73","46354","","10.1039/C7RA09122B","","","0.71073","MoKα","","0.084","0.0476","","","0.1251","0.1455","","","","","","0.935","","","","has coordinates","201550","2020-10-21","18:00:00",""
"7229290","5.4184","0.0003","9.8683","0.001","54.655","0.004","90","","90","","90","","2922.4","0.4","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H19 F17 O2 -","- C30 H19 F17 O2 -","- C120 H76 F68 O8 -","4","1","","Qian, Zongzheng; Deng, Weiting; Zhang, Xuepeng; Miao, Hui; Zhang, Guoqing","How side-chain substituents and substrates influence mechanochromic luminescence: case study with pyrene","RSC Adv.","2017","7","74","46721","","10.1039/C7RA09453A","","","1.54184","CuKα","","0.1212","0.1107","","","0.2368","0.2431","","","","","","1.076","","","","has coordinates,has disorder","201695","2020-10-21","18:00:00",""
"7229371","14.1736","0.0005","15.6168","0.0007","20.0291","0.0008","90","","90","","90","","4433.4","0.3","99.98","","99.98","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Carbonyl(trihydroborato)(hydruro)[bis(2-diisopropylphosphinoethyl)amido] ruthenium(II)","","- C17 H40 B N O P2 Ru -","- C17 H40 B N O P2 Ru -","- C136 H320 B8 N8 O8 P16 Ru8 -","8","2","","Nguyen, Duc Hanh; Raffa, Guillaume; Morin, Yohann; Desset, Simon Laurent; Capet, Frédéric; nardello-rataj, veronique; Dumeignil, Franck Yves; Gauvin, Régis","Solvent- and Base-Free Synthesis of Wax Esters from Fatty Acid Methyl Esters by Consecutive One-Pot, Two-Step Catalysis.","Green Chem.","2017","","","","","10.1039/C7GC02764H","","","0.71073","MoKα","","0.0416","0.0302","","","0.0493","0.0528","","","","","","1.017","","","","has coordinates","202248","2020-10-21","18:00:00",""
"7229382","8.58993","0.00007","10.68072","0.00007","28.6559","0.0002","90","","90","","90","","2629.08","0.03","293","2","293","2","","","","","","","Aspergillus versicolor","4","P 21 21 21","P 2ac 2ab","19","","LZD-14-1-37","","- C27 H33 N5 O6 -","- C27 H33 N5 O6 -","- C108 H132 N20 O24 -","4","1","","Chen, Ran; Cheng, Zhongbin; Huang, Jian; Liu, Dong; Wu, Chongming; Guo, Peng; Lin, Wenhan","Versicotides D‒F, new cyclopeptides with lipid-lowering activities","RSC Adv.","2017","7","78","49235","","10.1039/C7RA07940K","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.0991","0.0997","","","","","","1.036","","","","has coordinates","202267","2020-10-21","18:00:00",""
"7229391","5.4797","0.0004","9.567","0.0007","24.6309","0.0017","90","","90","","90","","1291.26","0.16","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N S -","- C17 H13 N S -","- C68 H52 N4 S4 -","4","1","","Deng, Guo-Jun; Ni, Penghui; Li, Bin; Huang, Huawen; Xiao, Fuhong","Solvent-controlled highly regio-selective thieno[2,3-b]indole formation under metal-free conditions","Green Chem.","2017","","","","","10.1039/C7GC02818K","","","0.71073","MoKα","","0.0417","0.0392","","","0.0857","0.0878","","","","","","1.132","","","","has coordinates","202294","2020-10-21","18:00:00",""
"7229410","10.8825","0.0001","13.4584","0.0001","13.6472","0.0001","90","","90","","90","","1998.78","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O5 -","- C23 H30 O5 -","- C92 H120 O20 -","4","1","","Zhang, Panpan; Li, Yongfang; Jia, Chunxiu; Lang, Jiajia; Niaz, Shah-Iram; Li, Jing; Yuan, Jie; Yu, Jianchen; Chen, Senhua; Liu, Lan","Antiviral and anti-inflammatory meroterpenoids: stachybonoids A‒F from the crinoid-derived fungus Stachybotrys chartarum 952","RSC Adv.","2017","7","79","49910","","10.1039/C7RA09859F","","","1.54178","CuKα","","0.028","0.0278","","","0.0709","0.071","","","","","","1.078","","","","has coordinates","202375","2020-10-21","18:00:00",""
"7229414","3.86","0.0008","11.43","0.002","25.629","0.005","90","","90","","90","","1130.7","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","daidzein","","- C15 H10 O4 -","- C15 H10 O4 -","- C60 H40 O16 -","4","1","","Jia, Lina; Xu, Shijie; Liu, Shiyuan; Du, Shichao; Wu, Songgu; Gong, Junbo","Polymorphs of daidzein and intermolecular interaction effect on solution crystallization","CrystEngComm","2017","","","","","10.1039/C7CE01716B","","","0.71073","MoKα","","0.1011","0.0667","","","0.097","0.1053","","","","","","1.103","","","","has coordinates","202389","2020-10-21","18:00:00",""
"7229473","10.9782","0.0013","11.233","0.0014","16.728","0.002","90","","90","","90","","2062.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O6 S -","- C18 H24 N2 O6 S -","- C72 H96 N8 O24 S4 -","4","1","","Li, Guijun; Xu, Xiaoliang; Tian, Hongchang; Liu, Xiaotong; Chen, Wen; Yang, Xiaodong; Zhang, Hongbin","Asymmetric synthesis of δ-amino acid derivatives via diastereoselective vinylogous Mannich reactions between N-tert-butanesulfinyl imines and dioxinone-derived lithium dienolate","RSC Advances","2017","7","80","50822","","10.1039/C7RA10529K","","","0.71073","MoKα","","0.0383","0.0338","","","0.0876","0.0913","","","","","","1.066","","","","has coordinates","202516","2020-10-21","18:00:00",""
"7229474","10.0662","0.0014","15.17","0.002","17.178","0.002","90","","90","","90","","2623.2","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Br N2 O5 S -","- C26 H29 Br N2 O5 S -","- C104 H116 Br4 N8 O20 S4 -","4","1","","Li, Guijun; Xu, Xiaoliang; Tian, Hongchang; Liu, Xiaotong; Chen, Wen; Yang, Xiaodong; Zhang, Hongbin","Asymmetric synthesis of δ-amino acid derivatives via diastereoselective vinylogous Mannich reactions between N-tert-butanesulfinyl imines and dioxinone-derived lithium dienolate","RSC Advances","2017","7","80","50822","","10.1039/C7RA10529K","","","0.71073","MoKα","","0.0544","0.0347","","","0.0662","0.0716","","","","","","0.985","","","","has coordinates","202516","2020-10-21","18:00:00",""
"7229475","10.551","0.007","11.366","0.008","16.422","0.011","90","","90","","90","","1969","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C72 H100 N4 O16 S4 -","4","1","","Li, Guijun; Xu, Xiaoliang; Tian, Hongchang; Liu, Xiaotong; Chen, Wen; Yang, Xiaodong; Zhang, Hongbin","Asymmetric synthesis of δ-amino acid derivatives via diastereoselective vinylogous Mannich reactions between N-tert-butanesulfinyl imines and dioxinone-derived lithium dienolate","RSC Advances","2017","7","80","50822","","10.1039/C7RA10529K","","","0.71073","MoKα","","0.1202","0.0525","","","0.1073","0.1263","","","","","","0.945","","","","has coordinates","202516","2020-10-21","18:00:00",""
"7229476","16.1444","0.0009","16.5294","0.0009","19.7875","0.0011","90","","90","","90","","5280.4","0.5","173","2","172.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 O6 -","- C29 H36 O6 -","- C232 H288 O48 -","8","2","","Sun, Zhenliang; Lv, Zhiliang; Hu, Bin; Zhang, Jifa; Du, Peng; Wang, Man; Xiao, Linlin; Yang, Peiming","Isolation, structure elucidation, and KDD study of (−)-Celosine, a new skeleton with potent anti-atherosclerosis activity","RSC Advances","2017","7","80","50875","","10.1039/C7RA08683K","","","1.54178","CuKα","","0.0541","0.052","","","0.1369","0.1392","","","","","","1.069","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7229500","5.4518","0.0005","12.6676","0.0011","23.036","0.002","90","","90","","90","","1590.9","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","1","","Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui","Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi","RSC Advances","2017","7","81","51335","","10.1039/C7RA11122C","","","1.54178","CuKα","","0.1272","0.0626","","","0.1251","0.1494","","","","","","1.022","","","","has coordinates","202599","2020-10-21","18:00:00",""
"7229598","3.6679","0.0007","10.1769","0.0019","17.203","0.003","90","","90","","90","","642.2","0.2","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-nitro-o-phenylene-diamine","","- C6 H7 N3 O2 -","- C6 H7 N3 O2 -","- C24 H28 N12 O8 -","4","1","","Shishkina, Svitlana V.; Konovalova, Irina S.; Shishkin, Oleg. V.; Boyko, Alexander N.","Influence of substituents on the acceptor properties of the amino groups in the diaminobenzene analogues","CrystEngComm","2017","","","","","10.1039/C7CE01732D","","","0.71073","MoKα","","0.0448","0.0362","","","0.0842","0.087","","","","","","0.9029","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7229613","4.7465","0.0003","9.9491","0.0006","26.6177","0.0014","90","","90","","90","","1256.98","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(4-iodophenyl)-3-phenyltriazenide N1-oxide","","- C12 H10 I N3 O -","- C12 H10 I N3 O -","- C48 H40 I4 N12 O4 -","4","1","","Martins, Marcos A. P.; Salbego, Paulo R. S.; de Moraes, Guilherme A.; Bender, Caroline R.; Zambiazi, Priscilla J.; Orlando, Tainára; Pagliari, Anderson B.; Frizzo, Clarissa P.; Hörner, Manfredo","Understanding the crystalline formation of triazene N-oxides and the role of halogen⋯π interactions","CrystEngComm","2018","20","1","96","","10.1039/C7CE02015E","","x-ray","0.71073","MoKα","","0.0854","0.0466","","","0.1145","0.1316","","","","","","1.037","","","","has coordinates","228929","2020-10-21","18:00:00",""
"7229626","13.0674","0.0008","13.2889","0.0006","35.945","0.002","90","","90","","90","","6241.9","0.6","145","2","145.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H75 Cl2 Mn4 N9 O18 -","- C51 H75 Cl2 Mn4 N9 O18 -","- C204 H300 Cl8 Mn16 N36 O72 -","4","1","","Wu, Changqiang; Yang, Li; Chen, Zhuzhong; Zhang, Houbing; Li, Danyang; Lin, Bingbing; Zhu, Jiang; Ai, Hua; Zhang, Xiaoming","Poly(ethylene glycol) modified Mn2+ complexes as contrast agents with a prolonged observation window in rat MRA","RSC Advances","2017","7","86","54603","","10.1039/C7RA09975D","","","0.71073","MoKα","","0.1192","0.0682","","","0.1033","0.1221","","","","","","0.992","","","","has coordinates","203754","2020-10-21","18:00:00",""
"7229639","7.0282","0.0006","9.9007","0.0008","17.2379","0.0015","90","","90","","90","","1199.48","0.18","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0312","0.0275","","","0.0675","0.0698","","","","","","1.03","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229640","6.0781","0.0003","10.8821","0.0006","17.8535","0.001","90","","90","","90","","1180.87","0.11","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0229","0.0228","","","0.0595","0.0596","","","","","","1.072","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229641","6.1053","0.0004","10.9507","0.0007","18.1001","0.0011","90","","90","","90","","1210.12","0.13","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)butane-1,2,3,4-tetrol","","- C10 H21 N O5 -","- C10 H21 N O5 -","- C40 H84 N4 O20 -","4","1","","Svärd, Michael; Krishna, Gamidi Rama; Rasmuson, Åke C.","Synthesis, crystallisation and thermodynamics of two polymorphs of a new derivative of meglumine: 1-(2,2,3-trimethyl-1,3-oxazolidin-5-yl)-butane-1,2,3,4-tetrol","CrystEngComm","2018","20","1","88","","10.1039/C7CE01135K","","","0.71073","MoKα","","0.0444","0.0369","","","0.0887","0.1008","","","","","","1.165","","","","has coordinates","228928","2020-10-21","18:00:00",""
"7229651","9.5217","0.0008","9.7711","0.0011","12.4273","0.001","90","","90","","90","","1156.2","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui","Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach","RSC Advances","2017","7","87","55026","","10.1039/C7RA12081H","","","1.54178","CuKα","","0.0483","0.0414","","","0.0981","0.1048","","","","","","1.01","","","","has coordinates","203969","2020-10-21","18:00:00",""
"7229660","5.7537","0.0006","9.6831","0.0011","20.806","0.002","90","","90","","90","","1159.2","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 N O Se -","- C13 H13 N O Se -","- C52 H52 N4 O4 Se4 -","4","1","","Holzer, Brigitte; Stöger, Berthold; Kautny, Paul; Reider, Georg; Hametner, Christian; Fröhlich, Johannes; Lumpi, Daniel","A novel selenoalkenyl-isoxazole based donor-acceptor nonlinear optical material.","CrystEngComm","2018","20","1","12","16","10.1039/c7ce01925d","","x-ray","0.71073","MoKα","","0.0298","0.0249","","","0.03","0.0306","","","","1.56","1.56","1.52","","","","has coordinates","228932","2020-10-21","18:00:00",""
"7229762","10.3185","0.0009","14.666","0.0011","14.863","0.0014","90","","90","","90","","2249.2","0.3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br N O4 S -","- C25 H22 Br N O4 S -","- C100 H88 Br4 N4 O16 S4 -","4","1","","Lee, Jusung; Ko, Kwang Min; Kim, Sung-Gon","Asymmetric synthesis of 2,3-disubstituted indolines via an organocatalytic intramolecular Michael addition","RSC Advances","2017","7","89","56457","","10.1039/C7RA10775G","","","0.71073","MoKα","","0.0415","0.0286","","","0.0565","0.0604","","","","","","1.055","","","","has coordinates","287876","2023-11-30","07:26:55",""
"7229763","5.0492","0.0004","10.1001","0.0008","35.494","0.003","90","","90","","90","","1810.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2R,6aR,11aS)-methyl 7-methyl-8-oxo-4-(1-phenylethyl) 1H,4-diazabicyclo[5.4.0]undec- 5,9-dione carboxylate","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Peters, Byron K.; Razuwika, Rufaro; Samipillai, Marivel; Arvidsson, Per I.; Kruger, Hendrik G.; Govender, Thavendran; Naicker, Tricia","An unexpected re-arrangement of the antibiotic carbapenem core to new 1,4-diazepin-5-one scaffolds","RSC Advances","2018","8","1","190","","10.1039/C7RA12688C","","","0.71073","MoKα","","0.0427","0.0405","","","0.1097","0.1116","","","","","","1.08","","","","has coordinates","204390","2020-10-21","18:00:00",""
"7229887","11.70439","0.00017","11.9649","0.00018","18.9233","0.0002","90","","90","","90","","2650.05","0.06","281","12","281","12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 B N2 O6 -","- C29 H35 B N2 O6 -","- C116 H140 B4 N8 O24 -","4","1","","Wong, Lawrence W.-Y.; Au Yeung, Alex S.-F.; Tam, Gemma S.-S.; Kan, Jack W.-H.; Sung, Herman H.-Y.; Sheong, Fu Kit; Lin, Zhenyang; Williams, Ian D.","Isolation and enantiostability of the B-chiral bis(salicylato)borate anions [BR(Sal)2] and [BS(Sal)2]","RSC Advances","2018","8","3","1451","","10.1039/C7RA11997F","","x-ray","1.54184","CuKα","","0.031","0.0285","","","0.0751","0.077","","","","","","1.014","","","","has coordinates,has disorder","204739","2020-10-21","18:00:00",""
"7229943","10.00907","0.0001","10.09992","0.0001","20.9254","0.0002","90","","90","","90","","2115.37","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Aza:D-Man","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C92 H124 N4 O28 -","4","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0231","0.0227","","","0.0573","0.0576","","","","","","1","","","","has coordinates","229075","2020-10-21","18:00:00",""
"7229946","10.43733","0.00012","18.04445","0.00019","18.6345","0.0002","90","","90","","90","","3509.54","0.07","99.97","0.1","99.97","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Aza:D-Mal","","","- C34 H52 N2 O13 -","- C34 H52 N2 O13 -","- C136 H208 N8 O52 -","4","1","","Nisar, Madiha; Sung, Herman H.-Y.; Puschmann, Horst; Lakerveld, Richard; Haynes, Richard K.; Williams, Ian D.","11-Azaartemisinin cocrystals with preserved lactam : acid heterosynthons","CrystEngComm","2018","20","9","1205","","10.1039/C7CE01875D","","x-ray","1.54184","CuKα","","0.0298","0.0284","","","0.0715","0.0725","","","","","","1.001","","","","has coordinates,has disorder","229075","2020-10-21","18:00:00",""
"7230016","12.446","0.003","15.594","0.003","25.49","0.005","90","","90","","90","","4947.2","1.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Cl O6 -","- C19 H27 Cl O6 -","- C152 H216 Cl8 O48 -","8","2","","Wang, Chao-Yi; Hao, Jun-Di; Ning, Xing-Yan; Wu, Jing-Shuai; Zhao, Dong-Lin; Kong, Chui-Jian; Shao, Chang-Lun; Wang, Chang-Yun","Penicilazaphilones D and E: two new azaphilones from a sponge-derived strain of the fungus Penicillium sclerotiorum","RSC Advances","2018","8","8","4348","","10.1039/C7RA13327H","","","0.71073","MoKα","","0.1298","0.0566","","","0.1465","0.1661","","","","","","0.861","","","","has coordinates","205628","2020-10-21","18:00:00",""
"7230017","7.7241","0.0004","16.3543","0.0007","22.3393","0.0009","90","","90","","90","","2822","0.2","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl O5.5 -","- C14 H16 Cl O5.5 -","- C112 H128 Cl8 O44 -","8","2","","Wang, Chao-Yi; Hao, Jun-Di; Ning, Xing-Yan; Wu, Jing-Shuai; Zhao, Dong-Lin; Kong, Chui-Jian; Shao, Chang-Lun; Wang, Chang-Yun","Penicilazaphilones D and E: two new azaphilones from a sponge-derived strain of the fungus Penicillium sclerotiorum","RSC Advances","2018","8","8","4348","","10.1039/C7RA13327H","","","0.71073","MoKα","","0.089","0.0495","","","0.1039","0.1209","","","","","","1.03","","","","has coordinates","205628","2020-10-21","18:00:00",""
"7230037","8.5271","0.0017","11.207","0.002","15.059","0.003","90","","90","","90","","1439.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N4 O2 S -","- C11 H18 N4 O2 S -","- C44 H72 N16 O8 S4 -","4","1","","Fan, Qiangwen; Duan, Xiaowei; Yan, Hong","Solid state [2 + 2] photocycloaddition for constructing dimers of N,N′-diacyl-1,4-dihydropyrazines based on thiourea-induced assembly","CrystEngComm","2018","20","8","1151","","10.1039/C7CE01996C","","","0.71073","MoKα","","0.0609","0.0429","","","0.0873","0.0958","","","","","","0.963","","","","has coordinates","228936","2020-10-21","18:00:00",""
"7230062","8.4634","0.0002","9.3587","0.0002","25.6617","0.0007","90","","90","","90","","2032.57","0.09","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0349","0.0325","","","0.0859","0.0885","","","","","","1.028","","","","has coordinates","205872","2020-10-21","18:00:00",""
"7230065","7.08143","0.00009","9.08409","0.00011","29.0369","0.0003","90","","90","","90","","1867.9","0.04","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Cl N O2 S -","- C21 H18 Cl N O2 S -","- C84 H72 Cl4 N4 O8 S4 -","4","1","","Xu, Fen; Si, Xiao-Ju; Wang, Xiao-Ning; Kou, Hao-Dong; Chen, Di-Ming; Liu, Chun-Sen; Du, Miao","A high-activity cobalt-based MOF catalyst for [2 + 2 + 2] cycloaddition of diynes and alkynes: insights into alkyne affinity and selectivity control","RSC Advances","2018","8","9","4895","","10.1039/C7RA12136A","","x-ray","1.54184","CuKα","","0.0345","0.0337","","","0.0923","0.0935","","","","","","1.03","","","","has coordinates","205872","2020-10-21","18:00:00",""
"7230071","9.867","0.0003","12.1265","0.0005","18.8346","0.0007","90","","90","","90","","2253.6","0.14","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 Mn N5 O3 S -","- C21 H26 Mn N5 O3 S -","- C84 H104 Mn4 N20 O12 S4 -","4","1","","Sarkar, Nandita; Drew, Michael G. B.; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik","Methylene spacer regulated variation in conformation of tetradentate N2O2 donor Schiff bases trapped in manganese(iii) complexes","CrystEngComm","2018","20","8","1077","","10.1039/C7CE02019H","","","0.71073","MoKα","","0.0828","0.0566","","","0.08","0.088","","","","","","0.949","","","","has coordinates","228939","2020-10-21","18:00:00",""
"7230088","7.2124","0.0006","10.582","0.0005","17.2167","0.0009","90","","90","","90","","1314.01","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N3 O4 -","- C11 H15 N3 O4 -","- C44 H60 N12 O16 -","4","1","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0423","0.0332","","","0.0859","0.0928","","","","","","1.031","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230090","5.443","0.0002","21.1577","0.0006","21.2367","0.0006","90","","90","","90","","2445.65","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30.63 N6 O8.32 -","- C22 H30 N6 O8.3155 -","- C88 H120 N24 O33.262 -","4","1","","Hema, Kuntrapakam; Sureshan, Kana M.","Three-way competition in a topochemical reaction: permutative azide‒alkyne cycloaddition reactions leading to a vast library of products in the crystal","CrystEngComm","2018","20","11","1478","","10.1039/C8CE00131F","","","0.71073","MoKα","","0.0464","0.037","","","0.0854","0.09","","","","","","1.056","","","","has coordinates","229145","2020-10-21","18:00:00",""
"7230113","17.5477","0.0006","21.7199","0.0007","33.3592","0.0012","90","","90","","90","","12714.3","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(16R)-12-O-β-D-glucopyranosyl-11,14,16, 19-tetrahydroxy-17(15\ρightarrow16),18(4\ρightarrow3)-diabeo-abieta-3(4),8(9),11(12),13(14)-tetraene-7-one","szemaoenoid c","","- C26 H36 O11 -","- C26 H36 O11.25 -","- C416 H576 O180 -","16","4","","Pu, De-Bing; Wang, Ting; Zhang, Xing-Jie; Gao, Jun-Bo; Zhang, Rui-Han; Li, Xiao-Nian; Wang, Yong-Mei; Li, Xiao-Li; Wang, He-Yao; Xiao, Wei-Lie","Isolation, identification and bioactivities of abietane diterpenoids from Premna szemaoensis","RSC Advances","2018","8","12","6425","","10.1039/C7RA13309J","","","1.54178","CuKα","","0.0759","0.0744","","","0.2065","0.2083","","","","","","1.044","","","","has coordinates","206540","2020-10-21","18:00:00",""
"7230118","9.0337","0.0007","14.7317","0.0014","19.8607","0.0015","90","","90","","90","","2643.1","0.4","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 N8 O5 -","- C26 H32 N8 O5 -","- C104 H128 N32 O20 -","4","1","","Kennedy, Stuart R.; Jones, Christopher D.; Yufit, Dmitry S.; Nicholson, Catherine E.; Cooper, Sharon J.; Steed, Jonathan W.","Tailored supramolecular gel and microemulsion crystallization strategies – is isoniazid really monomorphic?","CrystEngComm","2018","20","10","1390","","10.1039/C8CE00066B","","x-ray","0.71073","MoKα","","0.0995","0.0723","","","0.1629","0.1782","","","","","","1.036","","","","has coordinates","288501","2023-12-22","13:20:52",""
"7230187","10.8939","0.0007","12.2771","0.0009","16.6849","0.0013","90","","90","","90","","2231.5","0.3","222","2","222.14","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N8 O6 S -","- C19 H30 N8 O6 S -","- C76 H120 N32 O24 S4 -","4","1","","Fu, Qiang; Xu, Xi-kun; Liu, Bao-kai; Guo, Fang","Solid state transformations of different stoichiometric forms of an organic salt formed from 5-sulfosalicylic acid and hexamethylenetetramine upon dehydration and rehydration","CrystEngComm","2018","20","13","1844","","10.1039/C8CE00022K","","","0.71073","MoKα","","0.0842","0.0627","","","0.1202","0.1295","","","","","","1.123","","","","has coordinates","229061","2020-10-21","18:00:00",""
"7230224","7.449","0.003","13.654","0.004","20.679","0.006","90","","90","","90","","2103.2","1.2","100","2","100.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl8 N4 O2 Sb2 -","- C6 H14 Cl8 N4 O2 Sb2 -","- C24 H56 Cl32 N16 O8 Sb8 -","4","1","","Piecha-Bisiorek, Anna; Mencel, Klaudia; Kinzhybalo, Vasyl; Szota, Aleksandra; Jakubas, Ryszard; Medycki, Wojciech; Zawrocki, Wiktor","Ferroelasticity and piezoelectricity of organic‒inorganic hybrid materials with a one-dimensional anionic structure: so similar, yet so different","CrystEngComm","2018","20","15","2112","","10.1039/C8CE00140E","","x-ray","0.71073","MoKα","","0.0254","0.0226","","","0.048","0.0493","","","","","","1.097","","","","has coordinates","229092","2020-10-21","18:00:00",""
"7230262","14.7978","0.0017","25.14","0.003","32.296","0.004","90","","90","","90","","12015","2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H110 Ag19 F21 Mo O14 -","- C88 H110 Ag19 F21 Mo O14 -","- C352 H440 Ag76 F84 Mo4 O56 -","4","1","","Jin, Jun-Ling; Shen, Yang-Lin; Xie, Yun-Peng; Lu, Xing","Silver ethynide clusters constructed with fluorinated β-diketonate ligands","CrystEngComm","2018","20","14","2036","","10.1039/C8CE00243F","","","0.71073","MoKα","","0.0964","0.0927","","","0.2172","0.2198","","","","","","1.114","","","","has coordinates,has disorder","229065","2020-10-21","18:00:00",""
"7230264","5.6642","0.0001","9.5973","0.0002","22.6622","0.0004","90","","90","","90","","1231.94","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-Isopropyl 2-hydroxy-3-nitro-2-phenylpropanoate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","","He, Feilong; Chen, Guanghui; Yang, Junxia; Liang, Guojuan; Deng, Ping; Xiong, Yan; Zhou, Hui","Catalytic enantioselective Henry reaction of α-keto esters, 2-acylpyridines and 2-acylpyridine N-oxides","RSC Advances","2018","8","17","9414","","10.1039/C8RA00552D","","","1.54178","CuKα","","0.0336","0.0331","","","0.1039","0.1046","","","","","","1.184","","","","has coordinates","206787","2020-10-21","18:00:00",""
"7230283","10.5531","0.0003","16.1106","0.0006","23.2787","0.0007","90","","90","","90","","3957.8","0.2","150","0.2","150","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H50 Co2 Mo4 N12 O34 -","- C8 H49 Co2 Mo4 N12 O34 -","- C32 H196 Co8 Mo16 N48 O136 -","4","1","","Cindrić, Marina; Stilinović, Vladimir; Rubčić, Mirta; Medak, Glorija; Šišak Jung, Dubravka; Vrdoljak, Višnja","Supramolecular assembly of oxalatomolybdates controlled by the hydrogen bonding potential of Co(iii)-ammine cations","CrystEngComm","2018","20","13","1889","","10.1039/C7CE02205K","","","0.7107","MoKα","","0.0233","0.0198","","","0.0421","0.0426","","","","","","0.964","","","","has coordinates","229060","2020-10-21","18:00:00",""
"7230300","11.491","0.0001","13.4946","0.0001","18.7471","0.0002","90","","90","","90","","2907.05","0.05","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O9 -","- C32 H40 O9 -","- C128 H160 O36 -","4","1","","Sun, Dong-Mei; An, Fa-Liang; Wei, Shan-Shan; Zhang, Yan-Qiu; Wang, Xiao-Bing; Luo, Jun; Kong, Ling-Yi","Cipadessains A‒K, eleven limonoids from the fruits of Cipadessa cinerascens","RSC Advances","2018","8","19","10437","","10.1039/C8RA00728D","","","1.54184","CuKα","","0.0449","0.042","","","0.1148","0.1182","","","","","","1.033","","","","has coordinates,has disorder","206957","2020-10-21","18:00:00",""
"7230322","6.0801","0.0005","15.186","0.0013","16.4018","0.0014","90","","90","","90","","1514.4","0.2","293","2","293","2","","","","","","","non-photochromic","4","P 21 21 21","P 2ac 2ab","19","3Me-5MSAP","(E)-2-(tert-butyl)-6-(((5-methylpyridin-3-yl)imino)methyl)phenol","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C68 H80 N8 O4 -","4","1","","Sugiyama, Haruki; Uekusa, Hidehiro","Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives","CrystEngComm","2018","20","15","2144","","10.1039/C8CE00003D","","","0.71075","MoKα","","0.0573","0.0473","","","0.115","0.1221","","","","","","1.052","","","","has coordinates","229094","2020-10-21","18:00:00",""
"7230339","12.75","0.005","19.729","0.005","20.627","0.005","90","0.005","90","0.005","90","0.005","5189","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H58 Cu3 N12 O15 -","- C46 H58 Cu3 N12 O15 -","- C184 H232 Cu12 N48 O60 -","4","1","","Androš Dubraja, Lidija; Jerić, Ivanka; Puškarić, Andreas; Bronić, Josip; Moreno-Pineda, Eufemio","Coordination ability of amino acid hydrazide ligands and their influence on magnetic properties in copper(ii) coordination polymers","CrystEngComm","2018","20","17","2396","","10.1039/C8CE00210J","","x-ray","1.54184","CuKα","","0.0647","0.0483","","","0.1147","0.1248","","","","","","1.008","","","","has coordinates","228997","2020-10-21","18:00:00",""
"7230346","7.9511","0.0005","8.4125","0.0007","24.0545","0.0018","90","","90","","90","","1609","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H9 F5 O -","- C23 H9 F5 O -","- C92 H36 F20 O4 -","4","1","","Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong","Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.","Physical chemistry chemical physics : PCCP","2018","20","15","9922","9929","10.1039/c8cp00260f","","","0.71073","MoKα","","0.0878","0.0506","","","0.1033","0.1202","","","","","","1.065","","","","has coordinates","230936","2020-10-21","18:00:00",""
"7230347","5.2858","0.0007","8.206","0.0011","42.862","0.006","90","","90","","90","","1859.2","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H18 O -","- C29 H18 O -","- C116 H72 O4 -","4","1","","Zhang, Yingying; He, Bairong; Liu, Junkai; Hu, Shimin; Pan, Lingxiang; Zhao, Zujin; Tang, Ben Zhong","Aggregation-induced emission and the working mechanism of 1-benzoyl and 1-benzyl pyrene derivatives.","Physical chemistry chemical physics : PCCP","2018","20","15","9922","9929","10.1039/c8cp00260f","","","0.71073","MoKα","","0.0726","0.0584","","","0.1803","0.1953","","","","","","1.096","","","","has coordinates","230936","2020-10-21","18:00:00",""
"7230370","4.77341","0.00015","15.3325","0.0005","15.7201","0.0004","90","","90","","90","","1150.53","0.06","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(Z)-3-(4-bromophenyl)-2-(pyridin-3-yl)acrylonitrile","","- C14 H9 Br N2 -","- C14 H9 Br N2 -","- C56 H36 Br4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.041","0.0365","","","0.0851","0.0863","","","","","","1.016","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230371","3.8248","0.00007","5.9631","0.0001","48.2653","0.0008","90","","90","","90","","1100.82","0.03","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","1.54178","CuKα","","0.0547","0.0545","","","0.1262","0.1262","","","","","","1.178","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230373","4.67306","0.00008","15.4504","0.0003","15.4973","0.0003","90","","90","","90","","1118.92","0.04","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 Cl N2 -","- C14 H9 Cl N2 -","- C56 H36 Cl4 N8 -","4","1","","Venkatesan, Perumal; Cerón, Margarita; Thamotharan, Subbiah; Robles, Fernando; Percino, M. Judith","Quantitative analysis of weak non-covalent interactions in (Z)-3-(4-halophenyl)-2-(pyridin-2/3/4-yl)acrylonitriles","CrystEngComm","2018","20","19","2681","","10.1039/C7CE02096A","","","0.71073","MoKα","","0.0292","0.0267","","","0.0683","0.0695","","","","","","1.071","","","","has coordinates","229013","2020-10-21","18:00:00",""
"7230374","6.4852","0.0002","14.3549","0.0004","15.7193","0.0011","90","","90","","90","","1463.38","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Cl Cu N2 O7 -","- C14 H11 Cl Cu N2 O7 -","- C56 H44 Cl4 Cu4 N8 O28 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","1.54184","CuKα","","0.0556","0.0532","","","0.1471","0.1493","","","","","","1.128","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230377","6.5406","0.0013","14.063","0.003","15.063","0.003","90","","90","","90","","1385.5","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl Cu N2 O7 -","- C12 H11 Cl Cu N2 O7 -","- C48 H44 Cl4 Cu4 N8 O28 -","4","1","","Carballo, Rosa; Castiñeiras, Alfonso; Covelo, Berta; Lago, Ana B.; Vázquez-López, Ezequiel M.; Gómez-Paz, Olaya; Balboa, Susana; Prieto, Inmaculada","Chiral and achiral 1D copper(ii) coordination polymers based on glycolato and chelating aromatic diamine ligands","CrystEngComm","2018","20","17","2455","","10.1039/C8CE00279G","","","0.71073","MoKα","","0.024","0.0213","","","0.0547","0.0561","","","","","","1.083","","","","has coordinates","228999","2020-10-21","18:00:00",""
"7230390","7.534","0.0005","13.2552","0.001","15.2014","0.0012","90","","90","","90","","1518.08","0.19","298","2","298","2","","","","","","","No","4","P 21 21 21","P 2ac 2ab","19","1,3-benzoxazine","methyl (E)-3-(2-(2-hydroxyphenyl)-2H-benzo[d][1,3]oxazin-1(4H)-yl)acrylate","","- C19 H18 N O3 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Bakthadoss, Manickam; Mushaf, Mohammad","A distal vinyl shift (DVS) through quadruple domino reaction: synthesis of N-vinyl benzoheterocyclic scaffolds","RSC Advances","2018","8","22","12152","","10.1039/C8RA01478G","","","0.7107","MoKα","","0.0758","0.0458","","","0.0843","0.0976","","","","","","1.011","","","","has coordinates","207174","2020-10-21","18:00:00",""
"7230393","8.7593","0.0018","13.386","0.004","19.541","0.004","90","","90","","90","","2291.2","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","zhu00010","","- C28 H22 F N3 -","- C28 H22 F N3 -","- C112 H88 F4 N12 -","4","1","","Zhu, Huichao; Weng, Shiyin; Zhang, Hong; Yu, Haizhu; Kong, Lin; Zhong, Yulin; Tian, Yupeng; Yang, Jiaxiang","A novel carbazole derivative containing fluorobenzene unit: aggregation-induced fluorescence emission, polymorphism, mechanochromism and non-reversible thermo-stimulus fluorescence","CrystEngComm","2018","20","20","2772","","10.1039/C8CE00025E","","","0.71073","MoKα","","0.0458","0.0395","","","0.1048","0.1106","","","","","","1.049","","","","has coordinates","229041","2020-10-21","18:00:00",""
"7230487","5.86412","0.0001","10.14207","0.00016","27.2115","0.0004","90","","90","","90","","1618.39","0.04","149.95","0.1","149.95","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Fe O2 S2 -","- C20 H14 Fe O2 S2 -","- C80 H56 Fe4 O8 S8 -","4","1","","Schwartz, Pierre-Olivier; Förtsch, Sebastian; Mena-Osteritz, Elena; Weirather-Köstner, Dagmar; Wachtler, Mario; Bäuerle, Peter","Ferrocene-functionalized polyheteroacenes for the use as cathode active material in rechargeable batteries","RSC Advances","2018","8","26","14193","","10.1039/C8RA00129D","","x-ray","0.71073","MoKα","","0.0289","0.0256","","","0.0516","0.0532","","","","","","1.077","","","","has coordinates","207380","2020-10-21","18:00:00",""
"7230544","6.2322","0.0007","13.2055","0.0015","17.424","0.002","90","","90","","90","","1434","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","lamivudine perchlorate monohydrate","","","- C8 H14 Cl N3 O8 S -","- C8 H14 Cl N3 O8 S -","- C32 H56 Cl4 N12 O32 S4 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0721","0.0469","","","0.1052","0.1194","","","","","","1.032","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230545","6.756","0.002","10.726","0.003","23.809","0.008","90","","90","","90","","1725.3","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lamivudine hydrogen sulfate","","","- C8 H13 N3 O7 S2 -","- C8 H13 N3 O7 S2 -","- C32 H52 N12 O28 S8 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.1028","0.0839","","","0.2231","0.2463","","","","","","1.042","","","","has coordinates,has disorder","228898","2020-10-21","18:00:00",""
"7230546","6.7148","0.0014","17.982","0.006","19.374","0.005","90","","90","","90","","2339.3","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","lamivudine sulfate","","","- C16 H24 N6 O10 S3 -","- C16 H24 N6 O10 S3 -","- C64 H96 N24 O40 S12 -","4","1","","da Silva, Cameron Capeletti; Valdo, Ana K.; do Nascimento Neto, José Antônio; Ribeiro, Leandro; Sarotti, Ariel M.; Martins, Felipe Terra","Why lamivudine assembles into double-stranded helices in crystals: salt heterosynthon versus base-pairing homosynthon","CrystEngComm","2018","20","22","3049","","10.1039/C8CE00100F","","","0.71073","MoKα","","0.0806","0.0488","","","0.0978","0.1141","","","","","","1.024","","","","has coordinates","228898","2020-10-21","18:00:00",""
"7230549","11.1093","0.0002","12.6235","0.0003","15.366","0.0003","90","","90","","90","","2154.9","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H21 N O4 -","- C27 H21 N O4 -","- C108 H84 N4 O16 -","4","1","","Lin, Jun-Bing; Cheng, Xi-Na; Tian, Xiao-Dong; Xu, Guo-Qiang; Luo, Yong-Chun; Xu, Peng-Fei","A C1-symmetric N-heterocyclic carbene catalysed oxidative spiroannulation of isatin-derived enals: highly enantioselective synthesis of spirooxindole δ-lactones","RSC Advances","2018","8","28","15444","","10.1039/C8RA02009D","","","1.5418","CuKα","","0.0432","0.0418","","","0.1096","0.1119","","","","","","1.04","","","","has coordinates","207461","2020-10-21","18:00:00",""
"7230550","8.023","0.0006","10.5211","0.0008","18.4479","0.0016","90","","90","","90","","1557.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Singh, Anoop; Mir, Nisar A.; Choudhary, Sachin; Singh, Deepika; Sharma, Preetika; Kant, Rajni; Kumar, Indresh","One-pot sequential multicomponent reaction between in situ generated aldimines and succinaldehyde: facile synthesis of substituted pyrrole-3-carbaldehydes and applications towards medicinally important fused heterocycles","RSC Advances","2018","8","28","15448","","10.1039/C8RA01637B","","","0.71073","MoKα","","0.0911","0.0511","","","0.0913","0.1085","","","","","","1.032","","","","has coordinates","207462","2020-10-21","18:00:00",""
"7230570","7.8851","0.0012","11.2622","0.0016","13.1273","0.0019","90","","90","","90","","1165.8","0.3","205","","205","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 F N5 O4 -","- C10 H12 F N5 O4 -","- C40 H48 F4 N20 O16 -","4","1","","Feng, Hui; Du, Yuqi; Tang, Fan; Ji, Ning; Zhao, Xuefeng; Zhao, Hang; Chen, Qianming","Silver ions blocking crystallization of guanosine-based hydrogel for potential antimicrobial applications","RSC Advances","2018","8","28","15842","","10.1039/C8RA02500B","","","0.71073","MoKα","","0.0607","0.0456","","","0.1002","0.1093","","","","","","1.008","","","","has coordinates","207505","2020-10-21","18:00:00",""
"7230583","9.5324","0.0009","14.9752","0.0014","16.6507","0.0015","90","","90","","90","","2376.9","0.4","273","2","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N -","- C31 H29 N -","- C124 H116 N4 -","4","1","","Liu, Xuedan; Li, Aisen; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru","Pressure-induced emission band separation of the hybridized local and charge transfer excited state in a TPE-based crystal.","Physical chemistry chemical physics : PCCP","2018","20","19","13249","13254","10.1039/c8cp02096e","","","0.71073","MoKα","","0.1481","0.0619","","","0.1094","0.1381","","","","","","1.013","","","","has coordinates,has disorder","230925","2020-10-21","18:00:00",""
"7230662","8.383","0.0001","9.592","0.0001","40.137","0.0007","90","","90","","90","","3227.41","0.08","298","2","298","2","","","","","","","Ziziphus cambodiana","4","P 21 21 21","P 2ac 2ab","19","Cambodine E","","","- C37 H38 N4 O5 -","- C37 H38 N4 O5 -","- C148 H152 N16 O20 -","4","1","","Lomchoey, Natthakaln; Panseeta, Panomwan; Boonsri, Pornthip; Apiratikul, Nuttapon; Prabpai, Samran; Kongsaeree, Palangpon; Suksamrarn, Sunit","New bioactive cyclopeptide alkaloids with rare terminal unit from the root bark of Ziziphus cambodiana","RSC Advances","2018","8","33","18204","","10.1039/C7RA13050C","","x-ray","0.71073","MoKα","","0.0427","0.0369","","","0.086","0.0893","","","","","","1.0416","","","","has coordinates","207831","2020-10-21","18:00:00",""
"7230738","7.22158","0.00015","9.60997","0.00016","13.4791","0.0003","90","","90","","90","","935.44","0.03","109.95","0.1","109.95","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.0256","0.0247","","","0.0639","0.0646","","","","","","1.075","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230741","6.32713","0.00007","10.32552","0.0001","15.23806","0.00018","90","","90","","90","","995.516","0.019","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O3 S -","- C11 H10 O3 S -","- C44 H40 O12 S4 -","4","1","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.021","0.0209","","","0.0563","0.0563","","","","","","1.046","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230742","9.50457","0.00013","9.59528","0.00011","11.4776","0.00013","90","","90","","90","","1046.75","0.02","110.1","0.14","110.1","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C52 H48 O16 -","4","1","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.0257","0.0244","","","0.0604","0.0615","","","","","","1.084","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230743","6.47958","0.00016","7.89044","0.00019","22.4589","0.0006","90","","90","","90","","1148.25","0.05","109.9","0.2","109.9","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 O3 -","- C14 H14 O3 -","- C56 H56 O12 -","4","1","","Hughes, Liam; McElroy, Con R.; Whitwood, Adrian C.; Hunt, Andrew J.","Development of pharmaceutically relevant bio-based intermediates though aldol condensation and Claisen‒Schmidt reactions of dihydrolevoglucosenone (Cyrene®)","Green Chemistry","2018","20","19","4423","","10.1039/C8GC01227J","","x-ray","1.54184","CuKα","","0.036","0.0334","","","0.0839","0.0864","","","","","","1.067","","","","has coordinates","230100","2020-10-21","18:00:00",""
"7230748","9.3745","0.0002","11.453","0.0003","13.8901","0.0003","90","","90","","90","","1491.33","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 F2 N3 O3 -","- C15 H15 F2 N3 O3 -","- C60 H60 F8 N12 O12 -","4","1","","Yu, Xuan; Bai, Hui; Wang, Dong; Qin, Zhaohai; Li, Jia-Qi; Fu, Bin","A convenient approach to difluoromethylated all-carbon quaternary centers via Ni(ii)-catalyzed enantioselective Michael addition","RSC Advances","2018","8","35","19402","","10.1039/C8RA02853B","","","1.54184","CuKα","","0.0336","0.0329","","","0.0839","0.0848","","","","","","1.061","","","","has coordinates","207985","2020-10-21","18:00:00",""
"7230909","6.215","0.005","12.803","0.005","15.398","0.005","90","0.005","90","0.005","90","0.005","1225.2","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 O -","- C17 H12 O -","- C68 H48 O4 -","4","1","","Rajagopal, Shinaj K.; K, Nagaraj; Deb, Somadrita; Bhat, Vinayak; Sasikumar, Devika; Sebastian, Ebin; Hariharan, Mahesh","Extending the scope of the carbonyl facilitated triplet excited state towards visible light excitation.","Physical chemistry chemical physics : PCCP","2018","20","28","19120","19128","10.1039/c8cp01023d","","","0.71073","MoKα","","0.0385","0.0353","","","0.09","0.093","","","","","","1.073","","","","has coordinates","230899","2020-10-21","18:00:00",""
"7230954","7.1065","0.0008","11.5273","0.0012","32.724","0.003","90","","90","","90","","2680.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 N2 Ni O14 -","- C22 H36 N2 Ni O14 -","- C88 H144 N8 Ni4 O56 -","4","1","","Qin, Ling; Hu, Qing; Wu, Yang; Cai, Jia-Le; Li, Yun-Yun","Three novel Co(ii)/Ni(ii)-based coordination polymers as efficient heterogeneous catalysts for dye degradation","CrystEngComm","2018","20","28","4042","","10.1039/C8CE00860D","","","0.71073","MoKα","","0.0596","0.0571","","","0.1362","0.1378","","","","","","1.118","","","","has coordinates,has disorder","228878","2020-10-21","18:00:00",""
"7231043","11.7141","0.0003","18.6463","0.0005","27.0913","0.0007","90","","90","","90","","5917.4","0.3","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 N2 O5 -","- C16 H30 N2 O5 -","- C192 H360 N24 O60 -","12","3","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Boc-Val-Val-OMe (Aβ39‒40) and Boc-Ile-Ala-OMe (Aβ41‒42) crystallize in a parallel β-sheet arrangement but generate a different morphology","CrystEngComm","2018","20","31","4441","","10.1039/C8CE00097B","","","0.71073","MoKα","","0.0857","0.059","","","0.1475","0.1639","","","","","","1.08","","","","has coordinates","229086","2020-10-21","18:00:00",""
"7231044","5.0771","0.0006","10.394","0.0019","33.371","0.007","90","","90","","90","","1761","0.5","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N2 O5 -","- C15 H28 N2 O5 -","- C60 H112 N8 O20 -","4","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Boc-Val-Val-OMe (Aβ39‒40) and Boc-Ile-Ala-OMe (Aβ41‒42) crystallize in a parallel β-sheet arrangement but generate a different morphology","CrystEngComm","2018","20","31","4441","","10.1039/C8CE00097B","","","1.54184","CuKα","","0.1034","0.0806","","","0.2175","0.2645","","","","","","1.067","","","","has coordinates","229086","2020-10-21","18:00:00",""
"7231101","9.5012","0.001","15.8064","0.0015","18.7456","0.0017","90","","90","","90","","2815.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-2-(9H-fluoren-9-yl)-1,2,3,4-tetrahydro-6,7-dimethoxy-1-(1-((R)-1-phenylethyl)-1H-tetrazol-5-yl)isoquinoline","","- C33 H31 N5 O2 -","- C33 H31 N5 O2 -","- C132 H124 N20 O8 -","4","1","","Haldar, Surajit; Saha, Subhajit; Mandal, Sumana; Jana, Chandan K.","C‒H functionalization enabled stereoselective Ugi-azide reaction to α-tetrazolyl alicyclic amines","Green Chemistry","2018","20","15","3463","","10.1039/C8GC01544A","","","0.71073","MoKα","","0.067","0.0434","","","0.088","0.0972","","","","","","0.95","","","","has coordinates","230114","2020-10-21","18:00:00",""
"7231126","9.6","0.0004","9.86","0.0004","37.7277","0.0017","90","","90","","90","","3571.2","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Br3 Dy N6 O8 -","- C30 H34 Br3 Dy N6 O8 -","- C120 H136 Br12 Dy4 N24 O32 -","4","1","","Zhang, Ying-Ying; Yu, Jing-Tao; Li, Bo; Li, De-Jing; Gu, Zhi-Gang; Sun, Xiao-Fan; Cai, Hong-Ling; Kostakis, George E.; Peng, Guo","Chiral and kryptoracemic Dy(iii) complexes with field-induced single molecule magnet behavior","CrystEngComm","2018","20","32","4582","","10.1039/C8CE01052H","","","0.71073","MoKα","","0.0654","0.0451","","","0.0504","0.0534","","","","","","1.085","","","","has coordinates","228924","2020-10-21","18:00:00",""
"7231133","19.385","0.002","21.884","0.002","9.657","0.002","90","0","90","0","90","0","4096.7","1","298","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H49 N O5 -","- C50 H49 N O5 -","- C200 H196 N4 O20 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","","0.066","","","","0.059","","","","","","1.29","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231138","18.536","0.004","23.101","0.003","8.508","0.003","90","","90","","90","","3643.1","1.6","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 N O6 -","- C44 H45 N O6 -","- C176 H180 N4 O24 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","0.186","0.06","","","","0.125","","","","","","1.07","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231139","18.496","0.004","23.466","0.004","8.523","0.005","90","","90","","90","","3699","2","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 N O6 -","- C44 H41.8 N O6 -","- C176 H167.2 N4 O24 -","4","1","","Wong, Lawrence W.-Y.; Tam, Gemma S.-S.; Chen, Xiaoyan; So, Frederick T.-K.; Soecipto, Aristyo; Sheong, Fu Kit; Sung, Herman H.-Y.; Lin, Zhenyang; Williams, Ian D.","A chiral spiroborate anion from diphenyl-l-tartramide [B{l-Tar(NHPh)2}2]−applied to some challenging resolutions","CrystEngComm","2018","20","33","4831","","10.1039/C8CE00855H","","","0.71073","MoKα","","","0.113","","","","0.154","","","","","","1.29","","","","has coordinates","228942","2020-10-21","18:00:00",""
"7231185","14.1118","0.0005","14.5427","0.0005","15.5885","0.0005","90","","90","","90","","3199.13","0.19","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","X-31","","- C32 H40 O5 -","- C32 H40 O5 -","- C128 H160 O20 -","4","1","","Xie, Yang-Guo; Zhang, Weiyue; Zhu, Sheng-lan; Cheng, Tao-fang; Wu, Guo-jing; Muhammad, Ishaq; Yan, Shi-kai; Zhang, Yan; Jin, Hui-zi; Zhang, Wei-dong","Xyloplains A‒F, six new guaiane-type sesquiterpenoid dimers from Xylopia vielana","RSC Advances","2018","8","45","25719","","10.1039/C8RA04356F","","","1.54178","CuKα","","0.0976","0.0959","","","0.2701","0.2729","","","","","","1.068","","","","has coordinates","209124","2020-10-21","18:00:00",""
"7231186","7.3802","0.0002","14.7759","0.0005","23.5281","0.0007","90","","90","","90","","2565.72","0.13","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","X-2","","- C30 H36 O4 -","- C30 H36 O4 -","- C120 H144 O16 -","4","1","","Xie, Yang-Guo; Zhang, Weiyue; Zhu, Sheng-lan; Cheng, Tao-fang; Wu, Guo-jing; Muhammad, Ishaq; Yan, Shi-kai; Zhang, Yan; Jin, Hui-zi; Zhang, Wei-dong","Xyloplains A‒F, six new guaiane-type sesquiterpenoid dimers from Xylopia vielana","RSC Advances","2018","8","45","25719","","10.1039/C8RA04356F","","","1.54178","CuKα","","0.0438","0.0416","","","0.129","0.1348","","","","","","0.66","","","","has coordinates","209124","2020-10-21","18:00:00",""
"7231193","10.2544","0.0003","12.3816","0.0004","28.9853","0.0011","90","","90","","90","","3680.1","0.2","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H30 Cl5 N3 P2 Pt -","- C39 H30 Cl5 N3 P2 Pt -","- C156 H120 Cl20 N12 P8 Pt4 -","4","1","","Radhakrishna, Latchupatula; Pandey, Madhusudan K.; Balakrishna, Maravanji S.","1,2,3-Triazole based bisphosphine, 5-(diphenylphosphanyl)-1-(2-(diphenylphosphanyl)-phenyl)-4-phenyl-1H-1,2,3-triazole: an ambidentate ligand with switchable coordination modes","RSC Advances","2018","8","45","25704","","10.1039/C8RA04086A","","x-ray","0.71073","MoKα","","0.0613","0.0562","","","0.1305","0.134","","","","","","1.109","","","","has coordinates,has disorder","209125","2020-10-21","18:00:00",""
"7231197","7.5242","0.0003","7.9258","0.0003","19.5829","0.0008","90","","90","","90","","1167.83","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Cd2 N0 O12 -","- C8 H8 Cd2 O12 -","- C32 H32 Cd8 O48 -","4","1","","Zhang, Guangju; Xiu, Siqi; Wei, Ying; Zhang, Qingguo; Cai, Kedi","Design and synthesis of nanoporous carbon materials using Cd-based homochiral metal‒organic frameworks as precursors for supercapacitor application","CrystEngComm","2018","20","31","4364","","10.1039/C8CE01027G","","","0.71073","MoKα","","0.0332","0.0291","","","0.0682","0.0699","","","","","","1.054","","","","has coordinates","229089","2020-10-21","18:00:00",""
"7231198","7.5194","0.0003","7.9248","0.0003","19.5768","0.0008","90","","90","","90","","1166.58","0.08","293","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Cd2 N0 O12 -","- C8 H8 Cd2 O12 -","- C32 H32 Cd8 O48 -","4","1","","Zhang, Guangju; Xiu, Siqi; Wei, Ying; Zhang, Qingguo; Cai, Kedi","Design and synthesis of nanoporous carbon materials using Cd-based homochiral metal‒organic frameworks as precursors for supercapacitor application","CrystEngComm","2018","20","31","4364","","10.1039/C8CE01027G","","","0.71073","MoKα","","0.0185","0.0169","","","0.0352","0.0356","","","","","","1.032","","","","has coordinates","229089","2020-10-21","18:00:00",""
"7231269","7.372","0.0015","14.623","0.003","28.356","0.009","90","","90","","90","","3056.8","1.3","298","2","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 Co N4 O8 -","- C30 H32 Co N4 O8 -","- C120 H128 Co4 N16 O32 -","4","1","","Yu, Fan","A highly efficient heterogeneous catalyst of cobalt-based coordination polymers for aerobic epoxidation of cyclohexene","CrystEngComm","2018","20","34","5074","","10.1039/C8CE00899J","","","0.71073","MoKα","","0.052","0.0483","","","0.1076","0.1096","","","","","","1.123","","","","has coordinates","229143","2020-10-21","18:00:00",""
"7231288","6.0032","0.0001","30.9388","0.0003","33.6555","0.0002","90","","90","","90","","6250.9","0.13","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H56 Cl6 N6 O6 -","- C68 H56 Cl6 N6 O6 -","- C272 H224 Cl24 N24 O24 -","4","1","","Szymkowiak, Joanna; Warżajtis, Beata; Rychlewska, Urszula; Kwit, Marcin","Consistent supramolecular assembly arising from a mixture of components ‒ self-sorting and solid solutions of chiral oxygenated trianglimines","CrystEngComm","2018","20","35","5200","","10.1039/C8CE01044G","","","1.54184","CuKα","","0.0484","0.047","","","0.1246","0.1263","","","","","","1.054","","","","has coordinates,has disorder","229127","2020-10-21","18:00:00",""
"7231370","5.7789","0.0003","12.3293","0.0007","24.9401","0.0014","90","","90","","90","","1776.98","0.17","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N3 O4 -","- C18 H20 Cl N3 O4 -","- C72 H80 Cl4 N12 O16 -","4","1","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.0559","0.0361","","","0.104","0.1268","","","","","","0.933","","","","has coordinates","229129","2020-10-21","18:00:00",""
"7231371","9.5641","0.0007","20.0364","0.001","30.4887","0.0017","90","","90","","90","","5842.6","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 F3 N5 O6 S -","- C27 H32 F3 N5 O6 S -","- C216 H256 F24 N40 O48 S8 -","8","2","","Li, Duanxiu; Kong, Minmin; Li, Jiong; Deng, Zongwu; Zhang, Hailu","Amine‒carboxylate supramolecular synthon in pharmaceutical cocrystals","CrystEngComm","2018","20","35","5112","","10.1039/C8CE01106K","","","0.71073","MoKα","","0.1115","0.0657","","","0.1271","0.1437","","","","","","1.009","","","","has coordinates,has disorder","229129","2020-10-21","18:00:00",""
"7231376","8.5245","0.0008","9.0785","0.0009","25.005","0.003","90","","90","","90","","1935.1","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C96 H88 N8 O8 -","4","1","","Sun, Jing; Jiang, Wang; Yan, Chao-Guo","Convenient construction of tetrahydrochromeno[4′,3′:2,3]indolizino[8,7-b]indoles and tetrahydroindolizino[8,7-b]indoles via one-pot domino reaction","RSC Advances","2018","8","50","28736","","10.1039/C8RA05138K","","","0.71073","MoKα","","0.1346","0.0565","","","0.1107","0.1328","","","","","","1.005","","","","has coordinates","209705","2020-10-21","18:00:00",""
"7231394","7.3902","0.0004","8.3748","0.0005","43.293","0.003","90","","90","","90","","2679.5","0.3","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H34 O8 -","- C31 H34 O8 -","- C124 H136 O32 -","4","1","","Luo, Dong-Dong; Peng, Kai; Yang, Jia-Yu; Piyachaturawat, Pawinee; Saengsawang, Witchuda; Ao, Lei; Zhao, Wan-Zhou; Tang, Yu; Wan, Sheng-Biao","Structural modification of oridonin via DAST induced rearrangement","RSC Advances","2018","8","52","29548","","10.1039/C8RA05728A","","","1.54184","CuKα","","0.0564","0.0506","","","0.1164","0.1218","","","","","","1.159","","","","has coordinates","210016","2020-10-21","18:00:00",""
"7231473","4.544","0.0001","15.2652","0.0002","20.3342","0.0002","90","","90","","90","","1410.48","0.04","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O8 -","- C14 H14 N2 O8 -","- C56 H56 N8 O32 -","4","1","","Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo","Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.","Physical chemistry chemical physics : PCCP","2018","20","37","24192","24200","10.1039/c8cp04401e","","","0.7107","MoKα","","0.0215","0.0181","","","0.03","0.0307","","","","","","1.036","","","","has coordinates","230903","2020-10-21","18:00:00",""
"7231476","4.54306","0.00006","15.2647","0.0002","20.3244","0.0003","90","","90","","90","","1409.47","0.03","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O8 -","- C14 H14 N2 O8 -","- C56 H56 N8 O32 -","4","1","","Escudero-Adán, Eduardo C; Bauzá, Antonio; Lecomte, Claude; Frontera, Antonio; Ballester, Pablo","Boron triel bonding: a weak electrostatic interaction lacking electron-density descriptors.","Physical chemistry chemical physics : PCCP","2018","20","37","24192","24200","10.1039/c8cp04401e","","","0.7107","MoKα","","0.0382","0.0308","","","0.0796","0.0827","","","","","","1.001","","","","has coordinates","230903","2020-10-21","18:00:00",""
"7231509","7.6565","0.0002","9.8198","0.0003","24.8755","0.0007","90","","90","","90","","1870.27","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O6 -","- C20 H28 O6 -","- C80 H112 O24 -","4","1","","Wang, Shuang; Li, Zheng-Hui; Ai, Hong-Lian; He, Juan; Feng, Tao; Liu, Ji-Kai","Polyellisin, a novel polyketide from cultures of the basidiomycete Polyporus ellisii","RSC Advances","2018","8","55","31538","","10.1039/C8RA06544F","","","1.54178","CuKα","","0.0313","0.0311","","","0.079","0.0792","","","","","","1.059","","","","has coordinates","210822","2020-10-21","18:00:00",""
"7231547","9.5492","0.0009","9.6708","0.0009","19.5238","0.0018","90","","90","","90","","1803","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O3 -","- C21 H23 N O3 -","- C84 H92 N4 O12 -","4","1","","Yamashita, Yohei; Maki, Daisuke; Sakurai, Shiho; Fuse, Takumi; Matsumoto, Shoji; Akazome, Motohiro","Preparation of chiral 3-oxocycloalkanecarbonitrile and its derivatives by crystallization-induced diastereomer transformation of ketals with chiral 1,2-diphenylethane-1,2-diol","RSC Advances","2018","8","57","32601","","10.1039/C8RA06611F","","","0.71073","MoKα","","0.0398","0.0348","","","0.0783","0.0815","","","","","","1.079","","","","has coordinates","211106","2020-10-21","18:00:00",""
"7231598","6.515","0.002","7.832","0.002","36.046","0.007","90","0.03","90","0.03","90","0.03","1839.3","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 5aa","","","- C21 H18 F3 N O2 -","- C21 H18 F3 N O2 -","- C84 H72 F12 N4 O8 -","4","1","","Crotti, Simone; Belletti, Giada; Di Iorio, Nicola; Marotta, Emanuela; Mazzanti, Andrea; Righi, Paolo; Bencivenni, Giorgio","Asymmetric vinylogous aldol addition of alkylidene oxindoles on trifluoromethyl-α,β-unsaturated ketones","RSC Advances","2018","8","58","33451","","10.1039/C8RA06615A","","","0.71073","MoKα","","0.0361","0.033","","","0.076","0.0774","","","","","","1.093","","","","has coordinates","211226","2020-10-21","18:00:00",""
"7231605","7.906","0.001","10.5987","0.0014","16.01","0.002","90","","90","","90","","1341.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ethyl (S)-3-nitro-2-phenyl-2,5-dihydrothiophene-2-carboxylate","","- C13 H13 N O4 S -","- C13 H13 N O4 S -","- C52 H52 N4 O16 S4 -","4","1","","Zhu, Xiao-Yu; Lv, Mei-Heng; Zhao, Ya-Nan; Lan, Li-Yan; Li, Wen-Ze; Xiao, Lin-Jiu","Organocatalytic sulfa-Michael/aldol cascade: constructing functionalized 2,5-dihydrothiophenes bearing a quaternary carbon stereocenter","RSC Advances","2018","8","59","34000","","10.1039/C8RA04325F","","","0.71073","MoKα","","0.0304","0.0282","","","0.0771","0.0786","","","","","","1.043","","","","has coordinates","211317","2020-10-21","18:00:00",""
"7231654","9.8653","0.0003","16.7612","0.0005","18.1753","0.0005","90","","90","","90","","3005.36","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 B N2 -","- C37 H39 B N2 -","- C148 H156 B4 N8 -","4","1","","Huynh, Han Vinh; Lam, Truc Tien; Luong, Huyen T. T.","Anion influences on reactivity and NMR spectroscopic features of NHC precursors","RSC Advances","2018","8","61","34960","","10.1039/C8RA05839C","","","0.71073","MoKα","","0.0646","0.0445","","","0.0805","0.0865","","","","","","1.032","","","","has coordinates","211451","2020-10-21","18:00:00",""
"7231657","8.8838","0.0018","13.895","0.003","20.744","0.004","90","","90","","90","","2560.6","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 N3 O3 -","- C29 H29 N3 O3 -","- C116 H116 N12 O12 -","4","1","","Rainoldi, Giulia; Lesma, Giordano; Picozzi, Claudia; Lo Presti, Leonardo; Silvani, Alessandra","One step access to oxindole-based β-lactams through Ugi four-center three-component reaction","RSC Advances","2018","8","61","34903","","10.1039/C8RA08165D","","","0.71073","MoKα","","0.0885","0.0591","","","0.1708","0.1952","","","","","","1.017","","","","has coordinates","211453","2020-10-21","18:00:00",""
"7231711","13.407","0.005","14.365","0.005","35.826","0.013","90","","90","","90","","6900","4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H68 N11 Ni7 O51 P W9 -","- C18 H31 N11 Ni7 O45 P W9 -","- C72 H124 N44 Ni28 O180 P4 W36 -","4","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.0592","0.0436","","","0.0923","0.0989","","","","","","1.009","","","","has coordinates,has disorder","229028","2020-10-21","18:00:00",""
"7231713","13.28","0.004","19.351","0.006","23.254","0.007","90","","90","","90","","5976","3","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C12 H49 N6 Ni6 O50 P S W9 -","- C12 H20 N6 Ni6 O45 P S W9 -","- C48 H80 N24 Ni24 O180 P4 S4 W36 -","4","1","","Yin, Ying-Xue; Chen, Wei-Chao; Yao, Wei; Qin, Chao; Su, Zhong-Min","Steam-assisted assemblies of {Ni6PW9}-based inorganic‒organic hybrid chains: synthesis, crystal structures and properties","CrystEngComm","2018","20","46","7507","","10.1039/C8CE01669K","","","0.71073","MoKα","","0.068","0.0546","","","0.1364","0.1442","","","","","","1.023","","","","has coordinates","229028","2020-10-21","18:00:00",""
"7231739","6.6643","0.0004","8.7065","0.0005","12.8","0.0008","90","","90","","90","","742.69","0.08","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(3-methylimidazolium-1-yl)propanoate","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C28 H40 N8 O8 -","4","1","","Braun, Doris E.; Lampl, Martin; Wurst, Klaus; Kahlenberg, Volker; Griesser, Ulrich J.; Schottenberger, Herwig","Computational and analytical approaches for investigating hydrates: the neat and hydrated solid-state forms of 3-(3-methylimidazolium-1-yl)propanoate","CrystEngComm","2018","20","48","7826","","10.1039/C8CE01565A","","x-ray","0.71073","MoKα","","0.0274","0.0266","","","0.0707","0.0712","","","","","","1.087","","","","has coordinates","229048","2020-10-21","18:00:00",""
"7231768","12.4801","0.0001","23.2176","0.0002","23.4275","0.0003","90","","90","","90","","6788.3","0.12","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit[6]uril/(-)-ephedrine complex","","","- C56 H85 Cl2 N26 O22.6 -","- C56 H80 Cl2 N26 O22.621 -","- C224 H320 Cl8 N104 O90.484 -","4","1","","Danylyuk, Oksana","Host‒guest complexes of cucurbit[6]uril with phenethylamine-type stimulants","CrystEngComm","2018","20","47","7642","","10.1039/C8CE01661E","","","0.71073","MoKα","","0.0652","0.0539","","","0.1211","0.1284","","","","","","1.09","","","","has coordinates,has disorder","229039","2020-10-21","18:00:00",""
"7231788","20.93","0.006","21.739","0.002","30.936","0.002","90","","90","","90","","14076","4","10","2","10","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C101.45 H48.54 Ag2 Al2 Cl2.9 F72 Mo8 N2 O24 P8 -","- C101.45 H48.54 Ag2 Al2 Cl2.9 F72 Mo8 N2 O24 P8 -","- C405.8 H194.16 Ag8 Al8 Cl11.6 F288 Mo32 N8 O96 P32 -","4","1","","Elsayed Moussa, Mehdi; Peresypkina, Eugenia; Virovets, Alexander V.; Venus, Dominik; Balázs, Gábor; Scheer, Manfred","Tuning the dimensionality of organometallic‒organic hybrid polymers assembled from [Cp2Mo2(CO)4(η2-P2)], bipyridyl linkers and AgI ions","CrystEngComm","2018","20","46","7417","","10.1039/C8CE01792A","","x-ray","0.6702","synchrotron","","0.0536","0.0493","","","0.1332","0.1376","","","","","","1.069","","","","has coordinates,has disorder","229031","2020-10-21","18:00:00",""
"7231811","10.2153","0.0005","12.7603","0.0007","15.3713","0.0009","90","","90","","90","","2003.65","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 B8 F3 O3 S -","- C10 H23 B8 F3 O3 S -","- C40 H92 B32 F12 O12 S4 -","4","1","","Bakardjiev, Mario; Tok, Oleg L.; Růžička, Aleš; Růžičková, Zdeňka; Holub, Josef; Hnyk, Drahomír; Fanfrlík, Jindřich; Štíbr, Bohumil","Quantitative syntheses of permethylated closo-1,10-R2C2B8Me8 (R = H, Me) carboranes. Egg-shaped hydrocarbons on the Frontier between inorganic and organic chemistry","RSC Advances","2018","8","67","38238","","10.1039/C8RA06640J","","","0.71073","MoKα","","0.0434","0.0394","","","0.105","0.1087","","","","","","1.046","","","","has coordinates","211970","2020-10-21","18:00:00",""
"7231816","9.5902","0.0005","11.1506","0.0005","14.3205","0.0007","90","","90","","90","","1531.38","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Valkute, Tushar R.; Aratikatla, Eswar K.; Gupta, Neha A.; Ganga, S.; Santra, Manas K.; Bhattacharya, Asish K.","Synthesis and anticancer studies of Michael adducts and Heck arylation products of sesquiterpene lactones, zaluzanin D and zaluzanin C from Vernonia arborea","RSC Advances","2018","8","67","38289","","10.1039/C8RA06238B","","","0.71073","MoKα","","0.0415","0.0344","","","0.0752","0.0791","","","","","","1.046","","","","has coordinates","211972","2020-10-21","18:00:00",""
"7231900","6.0888","0.0008","12.5645","0.0017","17.867","0.002","90","","90","","90","","1366.9","0.3","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Tone, Masaya; Nakagawa, Yoko; Chanthamath, Soda; Fujisawa, Ikuhide; Nakayama, Naofumi; Goto, Hitoshi; Shibatomi, Kazutaka; Iwasa, Seiji","Highly stereoselective spirocyclopropanation of various diazooxindoles with olefins catalyzed using Ru(ii)-complex","RSC Advances","2018","8","70","39865","","10.1039/C8RA09212E","","x-ray","0.71075","MoKα","","0.0228","0.0207","","","0.0481","0.0488","","","","","","0.991","","","","has coordinates","212240","2020-10-21","18:00:00",""
"7231966","6.58547","0.00006","23.9331","0.0003","12.23603","0.00011","90","","90","","90","","1928.53","0.03","149.98","0.1","149.98","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Propanol Solvate","","- C21 H32 O3 -","- C21 H32 O3 -","- C84 H128 O12 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0366","0.0357","","","0.0975","0.0989","","","","","","1.03","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231967","6.41117","0.00007","12.19725","0.00013","37.9575","0.0004","90","","90","","90","","2968.23","0.06","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Anhydrate","","- C36 H48 O4 -","- C36 H48 O4 -","- C144 H192 O16 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0397","0.0384","","","0.1003","0.1015","","","","","","1.073","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7231968","6.98287","0.00007","13.56289","0.00014","18.1895","0.0002","90","","90","","90","","1722.69","0.03","160","0.1","160","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Beta Estradiol Acetontrile Solvate","","- C20 H27 N O2 -","- C20 H27 N O2 -","- C80 H108 N4 O8 -","4","1","","Stevenson, Erin L.; Lancaster, Robert W.; Buanz, Asma B. M.; Price, Louise S.; Tocher, Derek A.; Price, Sarah L.","The solid state forms of the sex hormone 17-β-estradiol","CrystEngComm","2019","21","13","2154","","10.1039/C8CE01874J","","x-ray","1.54184","CuKα","","0.0369","0.0358","","","0.0938","0.0956","","","","","","1.05","","","","has coordinates","223638","2020-10-21","18:00:00",""
"7232011","7.4277","0.0005","14.1293","0.0008","16.7699","0.0007","90","","90","","90","","1759.97","0.17","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 Br6 N Sb -","- C9 H14 Br6 N Sb -","- C36 H56 Br24 N4 Sb4 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding-assisted assembly of bromoantimonate(v) and polybromide-bromoantimonate-based frameworks","CrystEngComm","2019","21","5","850","","10.1039/C8CE01944D","","x-ray","0.71073","MoKα","","0.0829","0.0674","","","0.1544","0.1685","","","","","","1.048","","","","has coordinates","223549","2020-10-21","18:00:00",""
"7232057","4.669","0.005","8.554","0.008","28.15","0.03","90","","90","","90","","1124","2","149.59","","149.59","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl N3 O3 -","- C10 H10 Cl N3 O3 -","- C40 H40 Cl4 N12 O12 -","4","1","","Wenholz, Daniel S.; Bhadbhade, Mohan; Kandemir, Hakan; Ho, Junming; Kumar, Naresh; Black, David StC.","Substituent effects in solid-state assembly of activated benzotriazoles","CrystEngComm","2019","21","5","835","","10.1039/C8CE01757C","","","0.71073","MoKα","","0.087","0.0634","","","0.1382","0.1478","","","","","","1.058","","","","has coordinates","223552","2020-10-21","18:00:00",""
"7232090","9.9122","0.0002","13.8433","0.0003","13.9018","0.0003","90","","90","","90","","1907.57","0.07","150.01","0.1","150.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","8-Acetylnaphth-1-ol","","- C12 H10 O2 -","- C12 H10 O2 -","- C96 H80 O16 -","8","2","","Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.","O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres","CrystEngComm","2019","21","6","1009","","10.1039/C8CE01872C","","x-ray","0.71073","MoKα","","0.0506","0.0418","","","0.0908","0.0953","","","","","","1.022","","","","has coordinates","223595","2020-10-21","18:00:00",""
"7232137","9.9385","0.0002","10.0425","0.0002","24.7502","0.0004","90","","90","","90","","2470.25","0.08","100","2","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 -","- C13 H19 N3 -","- C104 H152 N24 -","8","2","","Wilm, Lukas F. B.; Eder, Tobias; Mück-Lichtenfeld, Christian; Mehlmann, Paul; Wünsche, Marius; Buß, Florenz; Dielmann, Fabian","Reversible CO2 fixation by N-heterocyclic imines forming water-stable zwitterionic nitrogen-base‒CO2 adducts","Green Chemistry","2019","21","3","640","","10.1039/C8GC02952K","","","0.71073","MoKα","","0.046","0.0446","","","0.1198","0.1212","","","","","","1.064","","","","has coordinates","224637","2020-10-21","18:00:00",""
"7232148","7.6683","0.0003","12.0711","0.0003","22.2111","0.0006","90","","90","","90","","2055.97","0.11","173","0.14","173","0.14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl Mo N O10 -","- C14 H28 Cl Mo N O10 -","- C56 H112 Cl4 Mo4 N4 O40 -","4","1","","Wang, Si-Yuan; Zhou, Zhao-Hui","Molybdenum imidazole citrate and bipyridine homocitrate in different oxidation states ‒ balance between coordinated α-hydroxy and α-alkoxy groups","RSC Advances","2019","9","1","519","","10.1039/C8RA09134J","","","0.71073","MoKα","","0.0618","0.0505","","","0.0805","0.0857","","","","","","1.059","","","","has coordinates","213001","2020-10-21","18:00:00",""
"7232301","5.2763","0.0004","13.5393","0.0009","14.7358","0.0007","90","","90","","90","","1052.69","0.12","293","2","293","2","","","","","","","fungus","3","P 21 21 21","P 2ac 2ab","19","OK-23","OK-23","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Li, Yue-Lan; Zhu, Rong-Xiu; Li, Gang; Wang, Ning-Ning; Liu, Chun-Yu; Zhao, Zun-Tian; Lou, Hong-Xiang","Secondary metabolites from the endolichenic fungus Ophiosphaerella korrae","RSC Advances","2019","9","8","4140","","10.1039/C8RA10329A","","","1.54178","CuKα","","0.1121","0.0915","","","0.2209","0.2353","","","","","","1.174","","","","has coordinates","213440","2020-10-21","18:00:00",""
"7232304","12.4892","0.0003","13.7293","0.0004","14.9296","0.0004","90","","90","","90","","2559.95","0.12","293.15","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O6 -","- C13 H16 O6 -","- C104 H128 O48 -","8","2","","Li, Yue-Lan; Zhu, Rong-Xiu; Li, Gang; Wang, Ning-Ning; Liu, Chun-Yu; Zhao, Zun-Tian; Lou, Hong-Xiang","Secondary metabolites from the endolichenic fungus Ophiosphaerella korrae","RSC Advances","2019","9","8","4140","","10.1039/C8RA10329A","","","1.54178","CuKα","","0.1066","0.091","","","0.2401","0.2633","","","","","","1.042","","","","has coordinates","213440","2020-10-21","18:00:00",""
"7232331","6.7588","0.0001","12.0929","0.0002","36.4619","0.0005","90","","90","","90","","2980.16","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-iodoanilinium 3,5-dinitrobenzoate","","- C13 H10 I N3 O6 -","- C13 H10 I N3 O6 -","- C104 H80 I8 N24 O48 -","8","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","0.71073","MoKα","","0.0213","0.0205","","","0.0472","0.0476","","","","","","1.071","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232333","6.7937","0.0001","11.9574","0.0001","35.8729","0.0003","90","","90","","90","","2914.13","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-bromoanilinium 3,5-dinitrobenzoate","","- C13 H10 Br N3 O6 -","- C13 H10 Br N3 O6 -","- C104 H80 Br8 N24 O48 -","8","2","","Jones, Charlotte L.; Skelton, Jonathan M.; Parker, Stephen C.; Raithby, Paul R.; Walsh, Aron; Wilson, Chick C.; Thomas, Lynne H.","Living in the salt-cocrystal continuum: indecisive organic complexes with thermochromic behaviour","CrystEngComm","2019","21","10","1626","","10.1039/C8CE02066C","","","1.54184","CuKα","","0.0397","0.039","","","0.1056","0.1067","","","","","","1.044","","","","has coordinates","223478","2020-10-21","18:00:00",""
"7232403","6.6822","0.0005","8.4144","0.0004","10.572","0.006","90","","90","","90","","594.4","0.3","293","2","293","2","","","2510000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0998","0.067","","","0.1892","0.2263","","","","","","1.102","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232404","6.528","0.0002","8.351","0.0003","10.604","0.004","90","","90","","90","","578.1","0.2","293","2","293","2","","","3065000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0529","0.0456","","","0.1161","0.1268","","","","","","1.134","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232405","6.6082","0.0004","8.3753","0.0004","10.595","0.006","90","","90","","90","","586.4","0.3","293","2","293","2","","","2780000","","","","","2","P 21 21 21","P 2ac 2ab","19","2,4,6-tricyano-1,3,5-triazine","1,3,5-triazine-2,4,6-tricarbonitrile","","- C6 N6 -","- C6 N6 -","- C24 N24 -","4","1","","Fanetti, Samuele; Nobrega, Marcelo M.; Dziubek, Kamil; Citroni, Margherita; Sella, Andrea; McMillan, Paul F.; Hanfland, Michael; Bini, Roberto","Structure and reactivity of 2,4,6-tricyano-1,3,5-triazine under high-pressure conditions","CrystEngComm","2019","21","30","4493","","10.1039/C8CE02154F","","","0.41112","synchrotron","","0.0572","0.0519","","","0.1398","0.1494","","","","","","1.13","","","","has coordinates","223670","2020-10-21","18:00:00",""
"7232426","4.84556","0.0001","20.5154","0.0005","21.945","0.0004","90","","90","","90","","2181.52","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H40 N4 O3 -","- C18 H40 N4 O3 -","- C72 H160 N16 O12 -","4","1","","Gorla, Lingaraju; Martí-Centelles, Vicente; Altava, Belén; Burguete, M. Isabel; Luis, Santiago V.","The role of the side chain in the conformational and self-assembly patterns of C2-symmetric Val and Phe pseudopeptidic derivatives","CrystEngComm","2019","21","14","2398","","10.1039/C8CE02088D","","x-ray","1.54184","CuKα","","0.0561","0.0507","","","0.123","0.1279","","","","","","1.042","","","","has coordinates","223650","2020-10-21","18:00:00",""
"7232486","13.3441","0.0003","14.2773","0.0003","36.0138","0.0011","90","","90","","90","","6861.3","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H67 N10 Ni7 O53 P W9 -","- C18 H47 N10 Ni7 O53 P W9 -","- C72 H188 N40 Ni28 O212 P4 W36 -","4","1","","Zhang, Zhong; Wang, Yue-Lin; Li, Hai-Lou; Sun, Ke-Ning; Yang, Guo-Yu","Syntheses, structures and properties of three organic‒inorganic hybrid polyoxotungstates constructed from {Ni6PW9} building blocks: from isolated clusters to 2-D layers","CrystEngComm","2019","21","16","2641","","10.1039/C9CE00194H","","","0.71073","MoKα","","0.057","0.051","","","0.1105","0.1137","","","","","","1.042","","","","has coordinates","223612","2020-10-21","18:00:00",""
"7232491","19.2963","0.0004","16.3762","0.0004","11.0039","0.0002","90","","90","","90","","3477.23","0.13","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H50 O6 -","- C38 H50 O6 -","- C152 H200 O24 -","4","1","","Wu, Zhong-Nan; Niu, Qian-Wen; Zhang, Yu-Bo; Luo, Ding; Li, Qing-Guo; Li, Ying-Ying; Kuang, Guang-Kai; He, Li-Jun; Wang, Guo-Cai; Li, Yao-Lan","Hyperpatulones A‒F, polycyclic polyprenylated acylphloroglucinols from Hypericum patulum and their cytotoxic activities","RSC Advances","2019","9","14","7961","","10.1039/C9RA00277D","","x-ray","1.54184","CuKα","","0.0972","0.0809","","","0.2226","0.231","","","","","","1.147","","","","has coordinates","214106","2020-10-21","18:00:00",""
"7232495","5.01554","0.00007","7.52021","0.00007","15.90107","0.00016","90","","90","","90","","599.755","0.012","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 O4 -","- C5 H10 O4 -","- C20 H40 O16 -","4","1","","Benhamou, Laure; Foster, Robert W.; Ward, David P.; Wheelhouse, Katherine; Sloan, Lisa; Tame, Christopher J.; Bučar, Dejan-Krešimir; Lye, Gary J.; Hailes, Helen C.; Sheppard, Tom D.","Functionalised tetrahydrofuran fragments from carbohydrates or sugar beet pulp biomass","Green Chemistry","2019","21","8","2035","","10.1039/C9GC00448C","","x-ray","1.54184","CuKα","","0.0271","0.0267","","","0.0658","0.0662","","","","","","0.911","","","","has coordinates","224599","2020-10-21","18:00:00",""
"7232511","6.1434","0.0006","18.1087","0.0017","39.29","0.004","90","","90","","90","","4371","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C49 H70 N2 O5 -","- C49 H70 N2 O5 -","- C196 H280 N8 O20 -","4","1","","Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.","Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure","CrystEngComm","2019","21","17","2779","","10.1039/C9CE00013E","","","1.54178","CuKα","","0.1018","0.0992","","","0.2103","0.2115","","","","","","1.12","","","","has coordinates,has disorder","223588","2020-10-21","18:00:00",""
"7232514","7.1261","0.0004","8.1012","0.0006","18.5115","0.0009","90","","90","","90","","1068.67","0.11","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Cl O2 -","- C12 H13 Cl O2 -","- C48 H52 Cl4 O8 -","4","1","","Kassin, Victor-Emmanuel H.; Gérardy, Romaric; Toupy, Thomas; Collin, Diégo; Salvadeo, Elena; Toussaint, François; Van Hecke, Kristof; Monbaliu, Jean-Christophe M.","Expedient preparation of active pharmaceutical ingredient ketamine under sustainable continuous flow conditions","Green Chemistry","2019","21","11","2952","","10.1039/C9GC00336C","","x-ray","1.54184","CuKα","","0.0452","0.034","","","0.0753","0.0882","","","","","","1.084","","","","has coordinates","224633","2020-10-21","18:00:00",""
"7232517","4.9698","0.0001","9.7925","0.0003","34.4713","0.0009","90","","90","","90","","1677.61","0.08","119.9","0.6","119.9","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 F3 N3 O2 P -","- C16 H17 F3 N3 O2 P -","- C64 H68 F12 N12 O8 P4 -","4","1","","Akbari, Setareh; Khoshnood, Razieh Sanavi; Ahmadabad, Fatemeh Karimi; Pourayoubi, Mehrdad; Dušek, Michal; Shchegravina, Ekaterina S.","The (CF3C(O)NH)(C6H5CH2NH)2P(O) phosphoric triamide as a novel carrier with excellent efficiency for Cu(ii) in a liquid membrane transport system","RSC Advances","2019","9","16","9153","","10.1039/C8RA09118H","","x-ray","1.5418","CuKα","","0.0382","0.0323","","","0.0783","0.0815","","","","1.3","1.3","1.28","","","","has coordinates","214210","2020-10-21","18:00:00",""
"7232528","10.7928","0.0004","10.793","","23.011","0.001","90","","90","","90","","2680.48","0.15","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","X-55","","- C30 H36 O6 -","- C30 H36 O6 -","- C120 H144 O24 -","4","1","","Xie, Yang-Guo; Yan, Rong; Zhong, Xianglong; Piao, Huang; Muhammad, Ishaq; Ke, Xisong; Yan, Shikai; Guo, Yuanqiang; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopins A‒F, six rare guaiane dimers with three different connecting modes from Xylopia vielana","RSC Advances","2019","9","16","9235","","10.1039/C9RA00347A","","","1.54178","CuKα","","0.0527","0.0371","","","0.0924","0.0985","","","","","","1.03","","","","has coordinates","214287","2020-10-21","18:00:00",""
"7232529","9.7328","0.0004","16.8465","0.0009","18.139","0.001","90","","90","","90","","2974.1","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","X-73","","- C32 H41 O6 -","- C32 H41 O6 -","- C128 H164 O24 -","4","1","","Xie, Yang-Guo; Yan, Rong; Zhong, Xianglong; Piao, Huang; Muhammad, Ishaq; Ke, Xisong; Yan, Shikai; Guo, Yuanqiang; Jin, Hui-Zi; Zhang, Wei-Dong","Xylopins A‒F, six rare guaiane dimers with three different connecting modes from Xylopia vielana","RSC Advances","2019","9","16","9235","","10.1039/C9RA00347A","","","1.54178","CuKα","","0.125","0.0948","","","0.2535","0.2836","","","","","","1.065","","","","has coordinates","214287","2020-10-21","18:00:00",""
"7232571","5.9656","0.0001","12.4421","0.0001","16.3174","0.0002","90","","90","","90","","1211.15","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Methyl 1-(4-bromobenzyl)-1H-1,2,3-triazole-4-carboxylate)","","- C11 H10 Br N3 O2 -","- C11 H10 Br N3 O2 -","- C44 H40 Br4 N12 O8 -","4","1","","Yadav, Dolly; Singh, Nem; Kim, Tae Wu; Kim, Jae Young; Park, No-Joong; Baeg, Jin-Ook","Highly regioselective and sustainable solar click reaction: a new post-synthetic modified triazole organic polymer as a recyclable photocatalyst for regioselective azide‒alkyne cycloaddition reaction","Green Chemistry","2019","21","10","2677","","10.1039/C9GC00894B","","","0.71073","MoKα","","0.0599","0.046","","","0.1173","0.1298","","","","","","1.054","","","","has coordinates","224596","2020-10-21","18:00:00",""
"7232593","9.5047","0.0006","11.4368","0.0007","23.899","0.002","90","","90","","90","","2597.9","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'S * ,2'S * ,3S * ,10b'S *)-1'',2'-diphenyl-6',10b'-dihydro-2'H,5'H-dispiro[indoline-3,3'-pyrrolo[2,1-a]isoquinoline-1',3''-pyrrolidine]-2,2'',5''-trione","","- C34 H27 N3 O3 -","- C34 H27 N3 O3 -","- C136 H108 N12 O12 -","4","1","","Boudriga, Sarra; Haddad, Saoussen; Askri, Moheddine; Soldera, Armand; Knorr, Michael; Strohmann, Carsten; Golz, Christopher","Highly diastereoselective construction of novel dispiropyrrolo[2,1-a]isoquinoline derivatives via multicomponent 1,3-dipolar cycloaddition of cyclic diketones-based tetrahydroisoquinolinium N-ylides","RSC Advances","2019","9","20","11082","","10.1039/C8RA09884K","","","0.71073","MoKα","","0.0679","0.0451","","","0.0785","0.0875","","","","","","1.032","","","","has coordinates","214579","2020-10-21","18:00:00",""
"7232595","5.61656","0.0001","18.3134","0.0003","22.9609","0.0006","90","","90","","90","","2361.72","0.08","104.4","","104.4","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O8 -","- C23 H34 O8 -","- C92 H136 O32 -","4","1","","Zhang, Tao; Zhang, Qiu-Bo; Fu, Lu; Li, Ling-Yu; Ma, Li-Yan; Si, Jin-Guang; Zhang, Hong-Wu; Wei, Jian-He; Yu, Shi-Shan; Zou, Zhong-Mei","New antiproliferative germacranolides from Carpesium divaricatum","RSC Advances","2019","9","20","11493","","10.1039/C9RA00478E","","","1.5418","CuKα","","0.0407","0.0384","","","0.0973","0.1","","","","","","1.025","","","","has coordinates","214608","2020-10-21","18:00:00",""
"7232596","9.8307","0.0012","17.7908","0.0013","27.106","0.002","90","","90","","90","","4740.7","0.8","109.45","0.1","109.45","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 O9 -","- C24 H34 O9 -","- C192 H272 O72 -","8","2","","Zhang, Tao; Zhang, Qiu-Bo; Fu, Lu; Li, Ling-Yu; Ma, Li-Yan; Si, Jin-Guang; Zhang, Hong-Wu; Wei, Jian-He; Yu, Shi-Shan; Zou, Zhong-Mei","New antiproliferative germacranolides from Carpesium divaricatum","RSC Advances","2019","9","20","11493","","10.1039/C9RA00478E","","x-ray","1.54184","CuKα","","0.0494","0.0459","","","0.1181","0.1213","","","","","","1.037","","","","has coordinates","214608","2020-10-21","18:00:00",""
"7232614","8.4226","0.0017","14.002","0.003","16.76","0.003","90","","90","","90","","1976.6","0.7","113","2","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Cl2 N O3 S -","- C19 H19 Cl2 N O3 S -","- C76 H76 Cl8 N4 O12 S4 -","4","1","","Zhang, Minxuan; Lu, Tianyu; Zhao, Yun; Xie, Guixian; Miao, Zhiwei","K3PO4-promoted domino reactions: diastereoselective synthesis of trans-2,3-dihydrobenzofurans from salicyl N-tert-butanesulfinyl imines and sulfur ylides","RSC Advances","2019","9","21","11978","","10.1039/C9RA00309F","","","0.71073","MoKα","","0.0451","0.0382","","","0.0769","0.0808","","","","","","0.993","","","","has coordinates","214665","2020-10-21","18:00:00",""
"7232615","9.1621","0.0002","11.5165","0.0002","17.1645","0.0004","90","","90","","90","","1811.12","0.07","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Zhang, Minxuan; Lu, Tianyu; Zhao, Yun; Xie, Guixian; Miao, Zhiwei","K3PO4-promoted domino reactions: diastereoselective synthesis of trans-2,3-dihydrobenzofurans from salicyl N-tert-butanesulfinyl imines and sulfur ylides","RSC Advances","2019","9","21","11978","","10.1039/C9RA00309F","","","0.71073","MoKα","","0.0303","0.0281","","","0.0701","0.071","","","","","","1.047","","","","has coordinates","214665","2020-10-21","18:00:00",""
"7232642","11.1094","0.0007","15.0969","0.0009","18.9302","0.0012","90","","90","","90","","3174.9","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Olex2 1.2(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)","","- C38 H40 B2 N4 Ni -","- C38 H40 B2 N4 Ni -","- C152 H160 B8 N16 Ni4 -","4","1","","Angamuthu, Raja; Raje, Sakthi","Solvent-Free Synthesis and Reactivity of Nickel(II) Borohydride and Nickel(II) Hydride","Green Chemistry","2019","","","","","10.1039/C8GC04058C","","","0.71073","MoKα","","0.0762","0.0508","","","0.0918","0.1005","","","","","","1.028","","","","has coordinates","214697","2020-10-21","18:00:00",""
"7232649","6.1741","0.0011","15.678","0.003","16.411","0.003","90","","90","","90","","1588.5","0.5","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 N O5 -","- C20 H15 N O5 -","- C80 H60 N4 O20 -","4","1","","Itoh, Kennosuke; Odate, Fumiya; Karikomi, Takuma; Obe, Keishi; Miyamori, Tsutomu; Kamiya, Hideaki; Yoza, Kenji; Nagai, Kenichiro; Fujii, Hideaki; Suga, Hiroyuki; Tokunaga, Ken","Novel asymmetric photodimerization reaction of coumarin derivatives bearing a chiral 2-oxazolidinone auxiliary","RSC Advances","2019","9","22","12365","","10.1039/C9RA00822E","","","0.71073","MoKα","","0.0607","0.0414","","","0.078","0.0864","","","","","","1.026","","","","has coordinates","214745","2020-10-21","18:00:00",""
"7232650","8.2229","0.0008","18.1522","0.0017","21.438","0.002","90","","90","","90","","3199.9","0.5","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 N2 O10 -","- C40 H30 N2 O10 -","- C160 H120 N8 O40 -","4","1","","Itoh, Kennosuke; Odate, Fumiya; Karikomi, Takuma; Obe, Keishi; Miyamori, Tsutomu; Kamiya, Hideaki; Yoza, Kenji; Nagai, Kenichiro; Fujii, Hideaki; Suga, Hiroyuki; Tokunaga, Ken","Novel asymmetric photodimerization reaction of coumarin derivatives bearing a chiral 2-oxazolidinone auxiliary","RSC Advances","2019","9","22","12365","","10.1039/C9RA00822E","","","0.71073","MoKα","","0.0454","0.0362","","","0.0738","0.0789","","","","","","1.04","","","","has coordinates","214745","2020-10-21","18:00:00",""
"7232652","10.62","0.005","15.369","0.006","21.972","0.009","90","","90","","90","","3586","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 Cl3 N2 O10 -","- C41 H31 Cl3 N2 O10 -","- C164 H124 Cl12 N8 O40 -","4","1","","Itoh, Kennosuke; Odate, Fumiya; Karikomi, Takuma; Obe, Keishi; Miyamori, Tsutomu; Kamiya, Hideaki; Yoza, Kenji; Nagai, Kenichiro; Fujii, Hideaki; Suga, Hiroyuki; Tokunaga, Ken","Novel asymmetric photodimerization reaction of coumarin derivatives bearing a chiral 2-oxazolidinone auxiliary","RSC Advances","2019","9","22","12365","","10.1039/C9RA00822E","","","0.71073","MoKα","","0.149","0.0956","","","0.2672","0.301","","","","","","1.065","","","","has coordinates","214745","2020-10-21","18:00:00",""
"7232670","4.9905","0.0003","7.7332","0.0004","28.23","0.0014","90","","90","","90","","1089.47","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 O5 -","- C12 H14 O5 -","- C48 H56 O20 -","4","1","","Li, Gang; Xu, Ke; Chen, Wen-Qi; Guo, Zhi-Hao; Liu, Yu-Tong; Qiao, Ya-Nan; Sun, Yong; Sun, Gang; Peng, Xiao-Ping; Lou, Hong-Xiang","Heptaketides from the endophytic fungus Pleosporales sp. F46 and their antifungal and cytotoxic activities","RSC Advances","2019","9","23","12913","","10.1039/C9RA01956A","","","1.54178","CuKα","","0.0798","0.0787","","","0.206","0.2083","","","","","","1.04","","","","has coordinates","214817","2020-10-21","18:00:00",""
"7232671","9.6371","0.0004","11.5399","0.0005","11.7536","0.0005","90","","90","","90","","1307.13","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O5 -","- C14 H16 O5 -","- C56 H64 O20 -","4","1","","Li, Gang; Xu, Ke; Chen, Wen-Qi; Guo, Zhi-Hao; Liu, Yu-Tong; Qiao, Ya-Nan; Sun, Yong; Sun, Gang; Peng, Xiao-Ping; Lou, Hong-Xiang","Heptaketides from the endophytic fungus Pleosporales sp. F46 and their antifungal and cytotoxic activities","RSC Advances","2019","9","23","12913","","10.1039/C9RA01956A","","","1.54178","CuKα","","0.097","0.0852","","","0.2299","0.2512","","","","","","1.047","","","","has coordinates","214817","2020-10-21","18:00:00",""
"7232672","3.8904","0.0003","17.2043","0.0011","18.0371","0.0012","90","","90","","90","","1207.25","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C1.67 H1.11 O0.56 -","- C1.66667 H1.33333 O0.555556 -","- C60 H48 O20 -","36","9","","Li, Gang; Xu, Ke; Chen, Wen-Qi; Guo, Zhi-Hao; Liu, Yu-Tong; Qiao, Ya-Nan; Sun, Yong; Sun, Gang; Peng, Xiao-Ping; Lou, Hong-Xiang","Heptaketides from the endophytic fungus Pleosporales sp. F46 and their antifungal and cytotoxic activities","RSC Advances","2019","9","23","12913","","10.1039/C9RA01956A","","","1.54178","CuKα","","0.0508","0.0402","","","0.0987","0.1053","","","","","","1.061","","","","has coordinates","214817","2020-10-21","18:00:00",""
"7232693","9.1939","0.0004","10.3126","0.0004","24.1891","0.0008","90","","90","","90","","2293.44","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(triphenylacetyl)-L-tyrosine","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Bendzińska-Berus, Wioletta; Jelecki, Maciej; Kwit, Marcin; Rychlewska, Urszula","Transfer of chirality in N-triphenylacetylamino acids and chiral derivatives of N-triphenylacetyl Gly‒Gly dipeptide and control of their assembly with steric constraints","CrystEngComm","2019","21","22","3420","","10.1039/C9CE00429G","","","0.71073","MoKα","","0.0581","0.0431","","","0.0841","0.0925","","","","","","1.059","","","","has coordinates","223495","2020-10-21","18:00:00",""
"7232715","12.3663","0.0005","19.9827","0.0007","22.6075","0.0016","90","","90","","90","","5586.6","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H60 Br6 Cl2 O10 -","- C53 H60 Br6 Cl2 O10 -","- C212 H240 Br24 Cl8 O40 -","4","1","","Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional isomers of brominated-functionalized copillar[5]arenes: synthesis, characterization, and crystal structures","RSC Advances","2019","9","24","13814","","10.1039/C9RA02313E","","","0.71075","MoKα","","0.124","0.0724","","","0.1795","0.2053","","","","","","1.032","","","","has coordinates","214933","2020-10-21","18:00:00",""
"7232730","5.1481","0.0001","13.6138","0.0002","7.7426","0.0001","90","","90","","90","","542.642","0.015","298","2","298","2","","","0","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.71073","MoKα","","0.0287","0.0263","","","0.0676","0.0702","","","","","","0.823","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232731","4.9556","0.0009","13.322","0.004","6.874","0.002","90","","90","","90","","453.8","0.2","296","2","296","2","","","5.2","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0748","0.0593","","","0.1466","0.1545","","","","","","1.066","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232732","5.0359","0.0006","13.462","0.003","7.2375","0.0016","90","","90","","90","","490.65","0.16","296","2","296","2","","","2.05","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.081","0.064","","","0.135","0.1506","","","","","","1.089","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232733","4.879","0.003","13.135","0.008","6.658","0.006","90","","90","","90","","426.7","0.5","298","2","298","2","","","8.5","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0736","0.0617","","","0.1388","0.1423","","","","","","1.08","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232734","5.0055","0.0002","13.4104","0.0009","7.1162","0.0004","90","","90","","90","","477.68","0.05","296","2","296","2","","","3.23","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0671","0.0615","","","0.1476","0.1517","","","","","","1.052","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232735","5.0694","0.001","13.492","0.006","7.403","0.004","90","","90","","90","","506.3","0.4","296","2","296","2","","","1.26","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.139","0.0879","","","0.2063","0.2341","","","","","","1.004","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232736","4.933","0.002","13.248","0.009","6.841","0.003","90","","90","","90","","447.1","0.4","298","2","298","2","","","5.91","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0753","0.0572","","","0.1389","0.1561","","","","","","1.126","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232737","4.9824","0.0006","13.353","0.003","7.0029","0.0014","90","","90","","90","","465.9","0.15","296","2","296","2","","","4.02","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0727","0.0622","","","0.1656","0.1718","","","","","","1.124","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232738","4.9715","0.0014","13.236","0.007","7.042","0.002","90","","90","","90","","463.4","0.3","298","2","298","2","","","3.97","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0886","0.0573","","","0.136","0.1447","","","","","","1.006","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232739","4.9154","0.0009","13.23","0.005","6.7665","0.0014","90","","90","","90","","440","0.2","296","2","296","2","","","6.67","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.478","synchrotron","","0.0936","0.0669","","","0.1462","0.1583","","","","","","1.106","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232740","4.9383","0.0019","13.25","0.005","6.841","0.003","90","","90","","90","","447.6","0.3","298","2","298","2","","","6.12","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0778","0.0636","","","0.1549","0.1613","","","","","","1.04","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232741","4.773","0.003","12.91","0.008","6.363","0.006","90","","90","","90","","392.1","0.5","298","2","298","2","","","15.78","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0926","0.0667","","","0.1607","0.1757","","","","","","1.004","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232742","4.799","0.002","12.972","0.005","6.432","0.003","90","","90","","90","","400.4","0.3","298","2","298","2","","","13.94","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0602","0.0546","","","0.1368","0.1401","","","","","","1.039","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232743","4.768","0.004","12.883","0.01","6.353","0.007","90","","90","","90","","390.2","0.6","298","2","298","2","","","17.05","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1161","0.0862","","","0.2167","0.2282","","","","","","1.114","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232744","4.771","0.003","12.903","0.006","6.361","0.004","90","","90","","90","","391.6","0.4","298","2","298","2","","","15.2","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0862","0.0653","","","0.1512","0.1613","","","","","","0.948","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232745","4.842","0.006","13.025","0.017","6.589","0.012","90","","90","","90","","415.5","1.1","298","2","298","2","","","9.82","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.1438","0.0914","","","0.2197","0.245","","","","","","1.051","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232746","4.823","0.004","13.027","0.01","6.481","0.007","90","","90","","90","","407.2","0.6","298","2","298","2","","","11.19","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.079","0.0533","","","0.1332","0.1416","","","","","","1.037","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232748","4.823","0.005","13.025","0.012","6.457","0.008","90","","90","","90","","405.6","0.8","298","2","298","2","","","13","","","","","4","P 21 21 21","P 2ac 2ab","19","L-threonine","(2S,3R)-2-amino-3-hydroxybutanoic acid","","- C4 H9 N O3 -","- C4 H9 N O3 -","- C16 H36 N4 O12 -","4","1","","Giordano, Nico; Beavers, Christine M.; Kamenev, Konstantin V.; Marshall, William G.; Moggach, Stephen A.; Patterson, Simon D.; Teat, Simon J.; Warren, John E.; Wood, Peter A.; Parsons, Simon","High-pressure polymorphism in l-threonine between ambient pressure and 22 GPa","CrystEngComm","2019","21","30","4444","","10.1039/C9CE00388F","","","0.49594","synchrotron","","0.0649","0.0584","","","0.1492","0.1559","","","","","","1.266","","","","has coordinates","223668","2020-10-21","18:00:00",""
"7232751","7.9261","0.0019","11.402","0.003","15.557","0.004","90","","90","","90","","1405.9","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","furfural","furan-2-carbaldehyde","","- C5 H4 O2 -","- C5 H4 O2 -","- C60 H48 O24 -","12","3","","Seidel, Rüdiger W.; Goddard, Richard; Nöthling, Nils; Lehmann, Christian W.","In situ cryocrystallization and solid-state structures of furfural and some derivatives","CrystEngComm","2019","21","21","3295","","10.1039/C9CE00435A","","","1.54178","CuKα","","0.0428","0.0389","","","0.0988","0.1027","","","","","","1.077","","","","has coordinates","223690","2020-10-21","18:00:00",""
"7232857","5.767","0.005","10.249","0.009","16.039","0.014","90","","90","","90","","948","1.4","138","2","138","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","IIa","Phenyl pyrazine-2-carboxylate (IIa)","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C44 H32 N8 O8 -","4","1","","Samie, Ali; Salimi, Alireza","Orientation-dependent conformational polymorphs in two similar pyridine/pyrazine phenolic esters","CrystEngComm","2019","21","24","3721","","10.1039/C8CE02107D","","","0.71073","MoKα","","0.0572","0.0565","","","0.1271","0.1281","","","","","","1.063","","","","has coordinates","223476","2020-10-21","18:00:00",""
"7232874","10.0517","0.0008","11.1214","0.0009","15.3258","0.0014","90","","90","","90","","1713.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 1a","","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C68 H80 Cl4 N4 O12 -","4","1","","Mancinelli, Michele; Franzini, Roberta; Renzetti, Andrea; Marotta, Emanuela; Villani, Claudio; Mazzanti, Andrea","Determination of the absolute configuration of conformationally flexible molecules by simulation of chiro-optical spectra: a case study","RSC Advances","2019","9","32","18165","","10.1039/C9RA03526E","","","0.71073","MoKα","","0.0364","0.0332","","","0.082","0.0839","","","","","","1.036","","","","has coordinates","215809","2020-10-21","18:00:00",""
"7232875","9.902","0.0012","19.022","0.002","9.2904","0.0011","90","","90","","90","","1749.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 2b","","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C68 H80 Cl4 N4 O12 -","4","1","","Mancinelli, Michele; Franzini, Roberta; Renzetti, Andrea; Marotta, Emanuela; Villani, Claudio; Mazzanti, Andrea","Determination of the absolute configuration of conformationally flexible molecules by simulation of chiro-optical spectra: a case study","RSC Advances","2019","9","32","18165","","10.1039/C9RA03526E","","","0.71073","MoKα","","0.0507","0.0431","","","0.1099","0.1145","","","","","","1.063","","","","has coordinates","215809","2020-10-21","18:00:00",""
"7232895","5.0318","0.0003","8.6573","0.0005","43.325","0.002","90","","90","","90","","1887.32","0.18","123","30","123","30","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C92 H84 N4 O16 -","4","1","","Sasmal, Supriya; Maji, Krishnendu; Díaz Díaz, David; Haldar, Debasish","Highly selective metallogel from 4-biphenylcarboxy capped diphenylalanine and FeCl3","CrystEngComm","2019","21","29","4289","","10.1039/C9CE00695H","","x-ray","1.54184","CuKα","","0.0788","0.0732","","","0.179","0.1869","","","","","","1.051","","","","has coordinates","223470","2020-10-21","18:00:00",""
"7232955","7.2862","0.0008","9.7081","0.0007","19.2903","0.0016","90","","90","","90","","1364.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H7 D2 F4 N O4 -","- C14 H7 D2 F4 N O4 -","- C56 H28 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0597","0.044","","","0.0888","0.0975","","","","","","1.049","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232959","7.2513","0.0006","9.6741","0.0008","18.5924","0.0014","90","","90","","90","","1304.25","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 D2 F4 N O4 -","- C13 H5 D2 F4 N O4 -","- C52 H20 D8 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0723","0.0439","","","0.0928","0.1035","","","","","","0.953","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232962","7.2625","0.0008","9.694","0.001","18.657","0.002","90","","90","","90","","1313.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 F4 N O4 -","- C13 H7 F4 N O4 -","- C52 H28 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0793","0.0538","","","0.118","0.1429","","","","","","1.058","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7232966","7.2846","0.0005","9.708","0.0006","19.345","0.001","90","","90","","90","","1368.06","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H9 F4 N O4 -","- C14 H9 F4 N O4 -","- C56 H36 F16 N4 O16 -","4","1","","Jin, Tong; Zhang, Wen","Geometric H/D isotope effect in a series of organic salts involving short O‒H⋯O hydrogen bonds between carboxyl and carboxylate groups","CrystEngComm","2019","21","29","4238","","10.1039/C9CE00734B","","","0.71073","MoKα","","0.0622","0.0428","","","0.087","0.0981","","","","","","1.037","","","","has coordinates","223471","2020-10-21","18:00:00",""
"7233061","6.5663","0.0008","15.809","0.0012","20.1333","0.0015","90","","90","","90","","2090","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 Cl2 N2 O6 Zn -","- C19 H24 Cl2 N2 O6 Zn -","- C76 H96 Cl8 N8 O24 Zn4 -","4","1","","Seiler, Vanessa Kristina; Robeyns, Koen; Tumanov, Nikolay; Cinčić, Dominik; Wouters, Johan; Champagne, Benoit; Leyssens, Tom","A coloring tool for spiropyrans: solid state metal‒organic complexation versus salification","CrystEngComm","2019","21","33","4925","","10.1039/C9CE00805E","","","0.6866","synchrotron","","0.1007","0.0699","","","0.1286","0.1396","","","","","","1.048","","","","has coordinates","223531","2020-10-21","18:00:00",""
"7233163","7.2936","0.001","20.532","0.003","26.509","0.004","90","","90","","90","","3969.8","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,6-Dibromo-4H-cyclopenta[1,2-b:5,4-b']dithiophen-4-one","2,6-Dibromo-4H-cyclopenta[1,2-b:5,4-b']dithiophen-4-one","","- C9 H2 Br2 O S2 -","- C9 H2 Br2 O S2 -","- C144 H32 Br32 O16 S32 -","16","4","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0523","0.045","","","0.1054","0.109","","","","","","1.102","","","","has coordinates","217080","2020-10-21","18:00:00",""
"7233209","9.596","0.0019","16.74","0.003","28.301","0.006","90","","90","","90","","4546.2","1.6","100","1","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","tenoxicam chloroform II solvate","","","- C15 H13 Cl6 N3 O4 S2 -","- C15 H13 Cl6 N3 O4 S2 -","- C120 H104 Cl48 N24 O32 S16 -","8","2","","Arkhipov, Sergey G.; Sherin, Peter S.; Kiryutin, Alexey S.; Lazarenko, Vladimir A.; Tantardini, Christian","The role of S-bond in tenoxicam keto‒enolic tautomerization","CrystEngComm","2019","21","36","5392","","10.1039/C9CE00874H","","","0.7937","synchrotron","","0.0869","0.0636","","","0.1623","0.1783","","","","","","1.03","","","","has coordinates,has disorder","223698","2020-10-21","18:00:00",""
"7233299","6.1192","0.0006","17.6034","0.0005","18.3391","0.0006","90","","90","","90","","1975.5","0.2","293","2","295","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 N6 -","- C21 H16 N6 -","- C84 H64 N24 -","4","1","","Ershov, Oleg V.; Chunikhin, Sergey S.; Ievlev, Mikhail Yu.; Belikov, Mikhail Yu.; Tafeenko, Viktor A.","Crystallographic characterization of ethylammonium salts of tetracyanopyridine (TCPy) and fluorescence determination of the degree of substitution of the amino nitrogen atom thereof","CrystEngComm","2019","21","36","5500","","10.1039/C9CE01089K","","","1.54186","CuKα","","0.1358","0.0781","","","0.2019","0.2643","","","","","","1.028","","","","has coordinates","223697","2020-10-21","18:00:00",""
"7233301","5.2981","0.0003","11.751","0.0006","13.3334","0.0006","90","","90","","90","","830.11","0.07","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Weekes, Rohan J.; Hawes, Chris S.","Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands","CrystEngComm","2019","21","34","5152","","10.1039/C9CE01074B","","","0.71073","MoKα","","0.0686","0.0457","","","0.0928","0.1023","","","","","","1.072","","","","has coordinates","223716","2020-10-21","18:00:00",""
"7233333","6.0322","0.0003","16.5564","0.001","22.5967","0.0009","90","","90","","90","","2256.8","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H7 I O -","- C7 H6 I O -","- C84 H72 I12 O12 -","12","3","","Prathap, Annamalai; Ravi, Arthi; Pathan, Javed R.; Sureshan, Kana M.","Halobenzyl alcohols as structurally simple organogelators","CrystEngComm","2019","21","35","5310","","10.1039/C9CE01008D","","","0.71073","MoKα","","0.0351","0.0284","","","0.0663","0.0701","","","","","","1.046","","","","has coordinates,has disorder","223706","2020-10-21","18:00:00",""
"7233344","10.6683","0.0003","11.9783","0.0003","20.8929","0.0006","90","","90","","90","","2669.86","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 O4 -","- C32 H36 O4 -","- C128 H144 O16 -","4","1","","Cheng, Yuyu; Fang, Zhiqiang; Jia, Yanwen; Lu, Zhongyue; Li, Wenjun; Li, Pengfei","Organocatalytic enantioselective conjugate addition of 2-naphthols to ortho-hydroxyphenyl substituted para-quinone methides: access to unsymmetrical triarylmethanes","RSC Advances","2019","9","42","24212","","10.1039/C9RA04768A","","x-ray","1.54178","CuKα","","0.0417","0.04","","","0.0998","0.1012","","","","","","1.026","","","","has coordinates","217424","2020-10-21","18:00:00",""
"7233353","9.0738","0.0019","11.139","0.002","28.078","0.006","90","","90","","90","","2837.9","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H24 O2 S2 -","- C36 H24 O2 S2 -","- C144 H96 O8 S8 -","4","1","","Yin, Ya; Chen, Zhao; Yang, Yue; Liu, Gang; Fan, Congbin; Pu, Shouzhi","Thiophene-containing tetraphenylethene derivatives with different aggregation-induced emission (AIE) and mechanofluorochromic characteristics","RSC Advances","2019","9","42","24338","","10.1039/C9RA04611A","","","0.71073","MoKα","","0.1181","0.0474","","","0.0756","0.0938","","","","","","0.928","","","","has coordinates","217451","2020-10-21","18:00:00",""
"7233415","10.5099","0.0002","14.8311","0.0003","18.254","0.0003","90","","90","","90","","2845.31","0.09","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 O Si2 -","- C32 H36 O Si2 -","- C128 H144 O4 Si8 -","4","1","","Wu, Ya; Chen, Hua; Yang, Wenyu; Fan, Yu; Gao, Lu; Su, Zhishan; Hu, Changwei; Song, Zhenlei","Asymmetric retro-[1,4]-Brook rearrangement of 3-silyl allyloxysilanes via chirality transfer from silicon to carbon","RSC Advances","2019","9","45","26209","","10.1039/C9RA05482K","","x-ray","1.54178","CuKα","","0.0365","0.0352","","","0.0991","0.1009","","","","","","1.059","","","","has coordinates","217655","2020-10-21","18:00:00",""
"7233476","6.8891","0.0002","20.9101","0.0007","30.2189","0.0011","90","","90","","90","","4353.1","0.2","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Cl N O8.5 -","- C21 H27 Cl N O8.5 -","- C168 H216 Cl8 N8 O68 -","8","2","","Li, Meiqi; Li, Zhen; Wang, Jian-rong; Mei, Xuefeng","Hydrochromism behaviors of solid forms of chelerythrine hydrochloride","CrystEngComm","2019","21","39","5915","","10.1039/C9CE00933G","","","0.71073","MoKα","","0.0798","0.0471","","","0.0942","0.1084","","","","","","1.007","","","","has coordinates","223566","2020-10-21","18:00:00",""
"7233506","5.844","0.004","7.72","0.005","44.76","0.03","90","","90","","90","","2019","2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C104 H88 N8 O8 -","4","1","","Di Jiang; Zheng Xue; Yongjun Li; Huibiao Liu; Wensheng Yang","Synthesis of donor-acceptor molecules based on isoxazolones for investigation of their nonlinear optical properties","Journal of Materials Chemistry C","2013","1","","5694","5700","10.1039/C3TC31228C","","","0.71073","MoKα","","0.0942","0.0851","","","0.1588","0.1635","","","","","","1.206","","","","has coordinates","217776","2020-10-21","18:00:00",""
"7233517","21.1753","0.0011","21.0416","0.0011","15.4504","0.0008","90","","90","","90","","6884.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H45 Gd7 O60 S8 -","- C28 H45 Gd7 O59.55 S8 -","- C112 H180 Gd28 O238.2 S32 -","4","1","","Richard F. D Vries; Susana Alvarez-Garcia; Natalia Snejko; Luisa E. Bausa; Enrique Gutierrez-Puebla; Alicia de Andres; M. Angeles Monge","Multimetal rare earth MOFs for lighting and thermometry: tailoring color and optimal temperature range through enhanced disulfobenzoic triplet phosphorescence","Journal of Materials Chemistry C","2013","1","","6316","6324","10.1039/C3TC30858H","","","0.71073","MoKα","","0.0574","0.0448","","","0.0999","0.108","","","","","","1.111","","","","has coordinates,has disorder","217787","2020-10-21","18:00:00",""
"7233523","6.6213","0.0013","15.81","0.003","16.409","0.003","90","","90","","90","","1717.7","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C72 H80 F4 N12 O16 -","4","1","","Wei, Ning; Jia, Lina; Shang, Zeren; Gong, Junbo; Wu, Songgu; Wang, Jingkang; Tang, Weiwei","Polymorphism of levofloxacin: structure, properties and phase transformation","CrystEngComm","2019","21","41","6196","","10.1039/C9CE00847K","","","0.71073","MoKα","","0.1264","0.0784","","","0.1408","0.1596","","","","","","1.047","","","","has coordinates","223511","2020-10-21","18:00:00",""
"7233526","30.9411","0.0004","5.05534","0.00007","5.9564","0.00008","90","","90","","90","","931.69","0.02","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","Cadmium 3-fluorobenzylphosphonate","","- C7 H8 Cd F O4 P -","- C7 H8 Cd F O4 P -","- C28 H32 Cd4 F4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0142","2.70733","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233528","30.6727","0.0005","5.93558","0.00009","5.0541","0.00008","90","","90","","90","","920.15","0.03","293","","293.15","","","","","","","","mechanochemical synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Cd F O4 P -","- C7 H8 Cd F O4 P -","- C28 H32 Cd4 F4 O16 P4 -","4","1","","Akhmetova, Irina; Beyer, Sebastian; Schutjajew, Konstantin; Tichter, Tim; Wilke, Manuel; Prinz, Carsten; Martins, Inês C. B.; Al-Sabbagh, Dominik; Roth, Christina; Emmerling, Franziska","Cadmium benzylphosphonates ‒ the close relationship between structure and properties","CrystEngComm","2019","21","39","5958","","10.1039/C9CE00776H","powder diffraction","x-ray","0.7085","Synchrotron","","","","","","","","","0.0198","3.42785","","","","","","","has coordinates","223564","2020-10-21","18:00:00",""
"7233552","8.689","0.0012","11.6597","0.0016","16.959","0.002","90","","90","","90","","1718.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N3 -","- C24 H17 N3 -","- C96 H68 N12 -","4","1","","Bin Chen; Gang Yu; Xin Li; Yubin Ding; Cheng Wang; Zhiwei Liu; Yongshu Xie","Full-colour luminescent compounds based on anthracene and 2,2'-dipyridylamine","Journal of Materials Chemistry C","2012","1","","7409","7417","10.1039/C3TC31751J","","","0.71073","MoKα","","0.0446","0.0404","","","0.0937","0.0954","","","","","","1.13","","","","has coordinates","217831","2020-10-21","18:00:00",""
"7233582","6.2934","0.0004","11.9839","0.0008","32.646","0.002","90","","90","","90","","2462.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 Pt -","- C31 H26 N2 Pt -","- C124 H104 N8 Pt4 -","4","1","","Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You","Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands","Journal of Materials Chemistry C","2014","2","","184","194","10.1039/C3TC31997K","","","0.71073","MoKα","","0.0345","0.0285","","","0.054","0.0558","","","","","","1.008","","","","has coordinates","217871","2020-10-21","18:00:00",""
"7233583","6.0349","0.0004","15.7571","0.0011","25.3332","0.0018","90","","90","","90","","2409","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 Pt -","- C31 H26 N2 Pt -","- C124 H104 N8 Pt4 -","4","1","","Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You","Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands","Journal of Materials Chemistry C","2014","2","","184","194","10.1039/C3TC31997K","","","0.71073","MoKα","","0.0248","0.0213","","","0.0425","0.0435","","","","","","0.99","","","","has coordinates","217872","2020-10-21","18:00:00",""
"7233584","6.2882","0.0015","11.994","0.003","32.734","0.008","90","","90","","90","","2468.8","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 Pt -","- C31 H26 N2 Pt -","- C124 H104 N8 Pt4 -","4","1","","Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You","Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands","Journal of Materials Chemistry C","2014","2","","184","194","10.1039/C3TC31997K","","","0.71073","MoKα","","0.0902","0.0731","","","0.1559","0.1629","","","","","","1.068","","","","has coordinates","217873","2020-10-21","18:00:00",""
"7233585","6.018","0.003","15.716","0.008","25.26","0.012","90","","90","","90","","2389","2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H26 N2 Pt -","- C31 H26 N2 Pt -","- C124 H104 N8 Pt4 -","4","1","","Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You","Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands","Journal of Materials Chemistry C","2014","2","","184","194","10.1039/C3TC31997K","","","0.71073","MoKα","","0.0825","0.0575","","","0.1148","0.1203","","","","","","1.004","","","","has coordinates","217874","2020-10-21","18:00:00",""
"7233601","8.5286","0.0001","8.5521","0.0002","28.2714","0.0007","90","","90","","90","","2062.04","0.07","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cd Hg N4 O2 S6 -","- C8 H12 Cd Hg N4 O2 S6 -","- C32 H48 Cd4 Hg4 N16 O8 S24 -","4","1","","Xitao Liu; Xinqiang Wang; Xin Yin; Shaojun Zhang; Lei Wang; Luyi Zhu; Guanghui Zhang; Dong Xu","Characterization and strong piezoelectric response of an organometallic nonlinear optical crystal: CdHg(SCN)4(C2H6SO)2","Journal of Materials Chemistry C","2014","2","","723","730","10.1039/C3TC31433B","","","0.71073","MoKα","","0.0563","0.0305","","","0.0495","0.0553","","","","","","0.876","","","","has coordinates","217909","2020-10-21","18:00:00",""
"7233745","8.0768","0.0016","9.6024","0.0019","24.077","0.005","90","","90","","90","","1867.3","0.7","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 B F2 N2 O -","- C21 H23 B F2 N2 O -","- C84 H92 B4 F8 N8 O4 -","4","1","","Cui-Lian Liu; Yong Chen; Deepak P. Shelar; Cong Li; Gang Cheng; Wen-Fu Fu","Bodipy dyes bearing oligo(ethylene glycol) groups on the meso-phenyl ring: tuneable solid-state photoluminescence and highly efficient OLEDs","Journal of Materials Chemistry C","2014","2","","5471","5478","10.1039/C4TC00720D","","","0.71073","MoKα","","0.0372","0.032","","","0.0743","0.0768","","","","","","1.079","","","","has coordinates","218133","2020-10-21","18:00:00",""
"7233771","4.30313","0.00016","23.6764","0.0009","25.1955","0.0009","90","","90","","90","","2566.98","0.16","174","70","174","70","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H24 O3 -","- C36 H24 O3 -","- C144 H96 O12 -","4","1","","Jin-Xing Qiu; Ye-Xin Li; Xiao-Feng Yang; Yong Nie; Zhen-Wei Zhang; Zhong-He Chen; Guo-Xin Sun","Substitution degree engineering the crystal packing and optoelectronic properties of benzofuranvinyl-substituted benzene-cored derivatives","Journal of Materials Chemistry C","2014","2","","5954","5962","10.1039/C4TC00220B","","","1.5418","CuKα","","0.1454","0.0985","","","0.2492","0.2878","","","","","","1.061","","","","has coordinates","218168","2020-10-21","18:00:00",""
"7233788","21.383","0.001","6.1278","0.0003","5.1462","0.0003","90","","90","","90","","674.31","0.06","285","2","285","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0397","0.0338","","","0.0875","0.0919","","","","","","1.087","","","","has coordinates","218206","2020-10-21","18:00:00",""
"7233789","21.4311","0.0011","6.1298","0.0003","5.1489","0.0003","90","","90","","90","","676.4","0.06","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0409","0.0338","","","0.0847","0.0895","","","","","","1.103","","","","has coordinates","218207","2020-10-21","18:00:00",""
"7233790","21.4235","0.0004","6.1275","0.0001","5.1487","0.0001","90","","90","","90","","675.88","0.02","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0411","0.0343","","","0.0804","0.0825","","","","","","1.244","","","","has coordinates","218208","2020-10-21","18:00:00",""
"7233791","21.363","0.005","6.141","0.005","5.1404","0.0011","90","","90","","90","","674.4","0.6","296","2","296","2","70000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0778","0.0571","","","0.1136","0.128","","","","","","1.171","","","","has coordinates","218209","2020-10-21","18:00:00",""
"7233792","21.325","0.005","6.152","0.006","5.1306","0.001","90","","90","","90","","673.1","0.7","296","2","296","2","120000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0862","0.0621","","","0.078","0.0846","","","","","","1.308","","","","has coordinates","218210","2020-10-21","18:00:00",""
"7233793","21.267","0.005","6.133","0.005","5.1284","0.0012","90","","90","","90","","668.9","0.6","296","2","296","2","210000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0591","0.0499","","","0.1061","0.1137","","","","","","1.164","","","","has coordinates","218211","2020-10-21","18:00:00",""
"7233794","21.215","0.004","6.128","0.005","5.118","0.0011","90","","90","","90","","665.4","0.6","296","2","296","2","260000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0626","0.0457","","","0.0969","0.1076","","","","","","1.151","","","","has coordinates","218212","2020-10-21","18:00:00",""
"7233795","21.148","0.005","6.121","0.005","5.1082","0.0012","90","","90","","90","","661.2","0.6","296","2","296","2","340000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0697","0.0512","","","0.1003","0.1104","","","","","","1.203","","","","has coordinates","218213","2020-10-21","18:00:00",""
"7233796","21.101","0.004","6.112","0.005","5.099","0.0009","90","","90","","90","","657.6","0.6","296","2","296","2","400000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine_N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0674","0.0554","","","0.0943","0.0994","","","","","","1.071","","","","has coordinates","218214","2020-10-21","18:00:00",""
"7233797","20.994","0.008","6.105","0.007","5.0903","0.0018","90","","90","","90","","652.4","0.8","296","2","296","2","520000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine_N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0777","0.0555","","","0.1165","0.1276","","","","","","1.095","","","","has coordinates","218215","2020-10-21","18:00:00",""
"7233798","20.771","0.004","6.075","0.004","5.0621","0.001","90","","90","","90","","638.8","0.5","296","2","296","2","830000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0751","0.0621","","","0.0912","0.095","","","","","","1.22","","","","has coordinates","218216","2020-10-21","18:00:00",""
"7233799","20.9533","0.0007","6.1092","0.0002","5.1332","0.0002","90","","90","","90","","657.09","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0305","0.0282","","","0.0739","0.0764","","","","","","1.144","","","","has coordinates","218217","2020-10-21","18:00:00",""
"7233800","20.9915","0.0008","6.1114","0.0002","5.1337","0.0002","90","","90","","90","","658.59","0.04","135","2","135","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0298","0.0283","","","0.0752","0.0765","","","","","","1.195","","","","has coordinates","218219","2020-10-21","18:00:00",""
"7233801","21.0223","0.0008","6.1129","0.0002","5.1343","0.0002","90","","90","","90","","659.79","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0305","0.028","","","0.0754","0.0768","","","","","","1.127","","","","has coordinates","218220","2020-10-21","18:00:00",""
"7233802","21.0588","0.0008","6.1144","0.0002","5.1343","0.0002","90","","90","","90","","661.1","0.04","165","2","165","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0313","0.0281","","","0.0748","0.0775","","","","","","1.118","","","","has coordinates","218221","2020-10-21","18:00:00",""
"7233803","21.0975","0.0009","6.1157","0.0003","5.1353","0.0002","90","","90","","90","","662.59","0.05","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0329","0.0298","","","0.0767","0.0794","","","","","","1.118","","","","has coordinates","218222","2020-10-21","18:00:00",""
"7233804","21.1324","0.0008","6.1162","0.0002","5.1363","0.0002","90","","90","","90","","663.87","0.04","195","2","195","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0334","0.0302","","","0.079","0.0832","","","","","","1.155","","","","has coordinates","218223","2020-10-21","18:00:00",""
"7233805","21.1719","0.0009","6.119","0.0003","5.1373","0.0003","90","","90","","90","","665.54","0.06","210","2","210","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0347","0.0307","","","0.0811","0.0845","","","","","","1.152","","","","has coordinates","218224","2020-10-21","18:00:00",""
"7233806","21.216","0.0009","6.1203","0.0003","5.1381","0.0003","90","","90","","90","","667.17","0.06","225","2","225","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0352","0.0316","","","0.0796","0.0828","","","","","","1.173","","","","has coordinates","218225","2020-10-21","18:00:00",""
"7233807","21.2598","0.0009","6.1219","0.0003","5.1391","0.0003","90","","90","","90","","668.86","0.06","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0364","0.0311","","","0.0804","0.0859","","","","","","1.13","","","","has coordinates","218226","2020-10-21","18:00:00",""
"7233808","21.2997","0.001","6.1229","0.0003","5.1413","0.0003","90","","90","","90","","670.51","0.06","255","2","255","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0371","0.0319","","","0.0845","0.0876","","","","","","1.101","","","","has coordinates","218227","2020-10-21","18:00:00",""
"7233809","21.343","0.001","6.1262","0.0003","5.143","0.0003","90","","90","","90","","672.45","0.06","270","2","270","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridine-N-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0374","0.0314","","","0.0813","0.0863","","","","","","1.119","","","","has coordinates","218228","2020-10-21","18:00:00",""
"7233810","20.5114","0.0019","6.016","0.004","5.005","0.002","90","","90","","90","","617.6","0.5","296","2","296","2","1290000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0564","0.0405","","","0.0662","0.0709","","","","","","1.173","","","","has coordinates","218229","2020-10-21","18:00:00",""
"7233811","20.343","0.002","6.001","0.004","4.9855","0.0017","90","","90","","90","","608.6","0.5","296","2","296","2","1580000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0397","0.0312","","","0.056","0.0598","","","","","","1.072","","","","has coordinates","218230","2020-10-21","18:00:00",""
"7233812","20.141","0.002","5.973","0.005","4.965","0.0018","90","","90","","90","","597.3","0.5","296","2","296","2","2040000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0422","0.0343","","","0.07","0.0757","","","","","","1.069","","","","has coordinates","218231","2020-10-21","18:00:00",""
"7233813","19.878","0.003","5.938","0.004","4.9394","0.0014","90","","90","","90","","583","0.4","296","2","296","2","2680000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0428","0.0363","","","0.0758","0.0793","","","","","","1.143","","","","has coordinates","218232","2020-10-21","18:00:00",""
"7233814","19.549","0.0016","5.901","0.004","4.9131","0.0014","90","","90","","90","","566.8","0.4","296","2","296","2","3570000","","","","","","","4","P 21 21 21","P 2ac 2ab","19","3-methyl-4-nitropyridineN-oxide","","","- C6 H6 N2 O3 -","- C6 H6 N2 O3 -","- C24 H24 N8 O12 -","4","1","","Weizhao Cai; Jiangang He; Wei Li; Andrzej Katrusiak","Anomalous compression of a weakly CH...O bonded nonlinear optical molecular crystal","Journal of Materials Chemistry C","2014","2","","6471","6476","10.1039/C4TC00654B","","","0.71073","MoKα","","0.0451","0.0388","","","0.0776","0.0809","","","","","","1.205","","","","has coordinates","218233","2020-10-21","18:00:00",""
"7233882","10.076","0.002","10.201","0.002","30.956","0.006","90","","90","","90","","3181.8","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H33 Cl2 N O4 -","- C41 H33 Cl2 N O4 -","- C164 H132 Cl8 N4 O16 -","4","1","","Meng Li; Wei Yao; Jun-Dao Chen; Hai-Yan Lu; YongSheng Zhao; Chuan-Feng Chen","Tetrahydro[5]helicene-based full-color emission dyes in both solution and solid states: synthesis, structures, photophysical properties and optical waveguide applications","Journal of Materials Chemistry C","2014","2","","8373","8380","10.1039/C4TC01562B","","","0.71073","MoKα","","0.069","0.0614","","","0.1211","0.1269","","","","","","1.086","","","","has coordinates","218339","2020-10-21","18:00:00",""
"7233888","6.702","0.003","9.243","0.004","13.476","0.005","90","","90","","90","","834.8","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H6 I N3 O2 -","- C5 H6 I N3 O2 -","- C20 H24 I4 N12 O8 -","4","1","","Tianliang Chen; Zhihua Sun; Xitao Liu; Jinyun Wang; Yuelan Zhou; Chengmin Ji; Shuquan Zhang; Lina Li; Zhong-Ning Chen; Junhua Luo","Strong enhancement of second harmonic generation in nonlinear optical crystals: 2-amino-3-nitropyridinium halides (Cl, Br, I)","Journal of Materials Chemistry C","2014","2","","8723","8728","10.1039/C4TC01002G","","","0.71073","MoKα","","0.0274","0.024","","","0.0853","0.0997","","","","","","1.25","","","","has coordinates","218345","2020-10-21","18:00:00",""
"7233929","12.726","0.003","13.004","0.003","14.943","0.004","90","","90","","90","","2472.9","1.1","","","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(S)-1-benzylpyrrolidin-2-yl)di(naphthalen-1-yl)]methanol","","- C32 H29 N O -","- C32 H29 N O -","- C128 H116 N4 O4 -","4","1","","Benjamin D. Lindner; Fabian Paulus; Anthony L. Appleton; Manuel Schaffroth; Jens U. Engelhart; Korwin M. Schelkle; Olena Tverskoy; Frank Rominger; Manuel Hamburger; Uwe H. F. Bunz","Electron-transporting phenazinothiadiazoles with engineered microstructure","Journal of Materials Chemistry C","2014","2","","9609","9612","10.1039/C4TC01992J","","","0.71073","MoKα","","0.1001","0.0413","","","0.0763","0.0866","","","","","","","","","","has coordinates","218419","2020-10-21","18:00:00",""
"7234019","8.0013","0.0003","9.0019","0.0003","14.3067","0.0005","90","","90","","90","","1030.47","0.06","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Na O9 Pr -","- C8 H4 Na O9 Pr -","- C32 H16 Na4 O36 Pr4 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0246","0.0217","","","0.0444","0.0462","","","","","","1.079","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234021","7.9349","0.0004","8.8716","0.0004","14.1611","0.0007","90","","90","","90","","996.87","0.08","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Eu Na O9 -","- C8 H6 Eu Na O9 -","- C32 H24 Eu4 Na4 O36 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0262","0.0221","","","0.0432","0.0452","","","","","","1.073","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234022","7.9177","0.0005","8.8354","0.0006","14.1274","0.0008","90","","90","","90","","988.3","0.11","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Na O9 Tb -","- C8 H6 Na O9 Tb -","- C32 H24 Na4 O36 Tb4 -","4","1","","Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing","Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations","CrystEngComm","2019","21","43","6591","","10.1039/C9CE01337G","","x-ray","0.71073","MoKα","","0.0262","0.0231","","","0.0489","0.0506","","","","","","1.086","","","","has coordinates","223541","2020-10-21","18:00:00",""
"7234032","7.398","0.0015","10.018","0.002","28.689","0.006","90","","90","","90","","2126.2","0.8","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cu2 N2 O7 -","- C20 H24 Cu2 N2 O7 -","- C80 H96 Cu8 N8 O28 -","4","1","","Muthukumar, Pandi; Moon, Dohyun; Anthony, Savarimuthu Philip","The Co2+/Ni2+ ion-mediated formation of a topochemically converted copper coordination polymer: structure-dependent electrocatalytic activity","CrystEngComm","2019","21","43","6552","","10.1039/C9CE01178A","","","0.63","synchrotron","","0.0314","0.0289","","","0.0813","0.083","","","","","","1.078","","","","has coordinates","223539","2020-10-21","18:00:00",""
"7234082","4.557","0.0005","18.5706","0.0018","18.986","0.003","90","","90","","90","","1606.7","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","BNQ-Me","","","- C22 H16 O4 -","- C22 H16 O4 -","- C88 H64 O16 -","4","1","","Toshiki Higashino; Shohei Kumeta; Sumika Tamura; Yoshio Ando; Ken Ohmori; Keisuke Suzuki; Takehiko Mori","Ambipolar transistor properties of 2,2'-binaphthosemiquinones","Journal of Materials Chemistry C","2015","3","","1588","1594","10.1039/C4TC02467B","","","1.54187","CuKα","","","0.0859","","","","0.1917","","","","","","1.089","","","","has coordinates","218738","2020-10-21","18:00:00",""
"7234160","6.24701","0.00005","17.7899","0.00014","20.2686","0.00016","90","","90","","90","","2252.52","0.03","125","","125","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C96 H108 N4 O20 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Chan, Yohan; Slawin, Alexandra M. Z.; Allin, Steven M.","Formal synthesis of (+)-lactacystin from l-serine","RSC Advances","2019","9","51","30019","","10.1039/C9RA07244F","","","1.54184","CuKα","","0.0459","0.0454","","","0.1325","0.1331","","","","","","1.058","","","","has coordinates","218854","2020-10-21","18:00:00",""
"7234264","7.698","0.005","9.598","0.005","20.109","0.005","90","0.005","90","0.005","90","0.005","1485.8","1.3","327","2","327","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O S -","- C16 H19 N S -","- C64 H76 N4 S4 -","4","1","","Ming Kong; Ting Wang; Xiaohe Tian; Fang Wang; Yanqiu Liu; Qiong Zhang; Hui Wang; Hongping Zhou; Jieying Wu; Yupeng Tian","Tunable two-photon absorption near-infrared materials containing different electron-donors and a pi-bridge center with applications in bioimaging in live cells","Journal of Materials Chemistry C","2015","3","","5580","5588","10.1039/C5TC00716J","","","0.71069","MoKα","","0.052","0.0496","","","0.1409","0.1443","","","","","","0.95","","","","has coordinates","218960","2020-10-21","18:00:00",""
"7234316","4.446","0.0014","13.03","0.004","19.52","0.007","90","","90","","90","","1130.8","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 I N3 -","- C11 H8 I N3 -","- C44 H32 I4 N12 -","4","1","","Sarkar, Nandini; Sinha, Abhijeet S.; Aakeröy, Christer B.","Systematic investigation of hydrogen-bond propensities for informing co-crystal design and assembly","CrystEngComm","2019","21","40","6048","","10.1039/C9CE01196J","","","0.71073","MoKα","","0.1254","0.0539","","","0.0871","0.1061","","","","","","0.972","","","","has coordinates","223629","2020-10-21","18:00:00",""
"7234343","8.928","0.0018","27.219","0.005","32.757","0.007","90","","90","","90","","7960","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[CoII(DHDT)2(NCS)2]","","","- C76 H120 Co N18 S2 -","- C76 H120 Co N18 S2 -","- C304 H480 Co4 N72 S8 -","4","1","","Hayley S. Scott; Boujemaa Moubaraki; Nicolas Paradis; Guillaume Chastanet; Jean-Francois Letard; Stuart R. Batten; Keith S. Murray","2,2'-Dipyridylamino-based ligands with substituted alkyl chain groups and their mononuclear-M(ii) spin crossover complexes","Journal of Materials Chemistry C","2015","3","","7845","7857","10.1039/C5TC00491H","","","0.71073","synchrotron","","0.0743","0.0513","","","0.122","0.1365","","","","","","1.045","","","","has coordinates","219064","2020-10-21","18:00:00",""
"7234457","7.632","0.0011","8.1788","0.0011","12.7931","0.0017","90","","90","","90","","798.55","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cl3 F2 K2 Sb -","- Cl3 F2 K2 Sb -","- Cl12 F8 K8 Sb4 -","4","1","","Yin Huang; Xianggao Meng; Pifu Gong; Zheshuai Lin; Xingguo Chen; Jingui Qin","A study on K2SbF2Cl3 as a new mid-IR nonlinear optical material: new synthesis and excellent properties","Journal of Materials Chemistry C","2015","3","","9588","9593","10.1039/C5TC01687H","","","0.71073","MoKα","","0.0282","0.0241","","","0.0381","0.0398","","","","","","1.013","","","","has coordinates","219155","2020-10-21","18:00:00",""
"7234518","9.9507","0.0009","14.1404","0.0014","15.7474","0.0011","90","","90","","90","","2215.8","0.3","173","0.14","173","0.14","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 F2 O2 -","- C28 H22 F2 O2 -","- C112 H88 F8 O8 -","4","1","","Zhiyong Yang; Wei Qin; Nelson L. C. Leung; Mathieu Arseneault; Jacky W. Y. Lam; Guodong Liang; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang","A mechanistic study of AIE processes of TPE luminogens: intramolecular rotation vs. configurational isomerization","Journal of Materials Chemistry C","2016","4","","99","107","10.1039/C5TC02924D","","x-ray","1.5418","CuKα","","0.0465","0.0388","","","0.1006","0.1059","","","","","","1.009","","","","has coordinates","219245","2020-10-21","18:00:00",""
"7234526","6.9337","0.0002","12.7285","0.0004","16.9517","0.0007","90","","90","","90","","1496.08","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H20 Cl5 Fe N2 O3 -","- C6 H20 Cl5 Fe N2 O3 -","- C24 H80 Cl20 Fe4 N8 O12 -","4","1","","Tianliang Chen; Zhihua Sun; Sangen Zhao; Chengmin Ji; Junhua Luo","An organic-inorganic hybrid co-crystal complex as a high-performance solid-state nonlinear optical switch","Journal of Materials Chemistry C","2016","4","","266","271","10.1039/C5TC03278D","","","0.71073","MoKα","","0.0354","0.0301","","","0.064","0.068","","","","","","1.065","","","","has coordinates","219249","2020-10-21","18:00:00",""
"7234530","4.0393","0.0001","11.2187","0.0004","16.2922","0.0004","90","","90","","90","","738.29","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Fluoro-6-(pyrazol-1-yl)pyridine","","- C8 H6 F N3 -","- C8 H6 F N3 -","- C32 H24 F4 N12 -","4","1","","Galadzhun, Iurii; Capel Berdiell, Izar; Shahid, Namrah; Halcrow, Malcolm A.","An iron(ii) coordination polymer of a triazolyl tris-heterocycle showing a spin state conversion triggered by loss of lattice solvent","CrystEngComm","2019","21","42","6330","","10.1039/C9CE01496A","","","1.54184","CuKα","","0.0293","0.0277","","","0.077","0.0786","","","","","","1.079","","","","has coordinates","223554","2020-10-21","18:00:00",""
"7234649","9.6563","0.0005","11.4146","0.0007","24.6751","0.0014","90","","90","","90","","2719.8","0.3","173.01","","173.01","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl8 Cu2 N4 O -","- C18 H30 Cl8 Cu2 N4 O -","- C72 H120 Cl32 Cu8 N16 O4 -","4","1","","Guo, Fang; Li, Hai Tao; Famulari, Antonino; Xin, Lianxin; Zhou, Hongjian; Zhang, Peng","Stoichiometry mechanosynthesis and interconversion of metal salts containing [CuCl3(H2O)]- and [Cu2Cl8]4-","CrystEngComm","2019","","","","","10.1039/C9CE00911F","","","0.71073","MoKα","","0.0213","0.0211","","","0.0543","0.0544","","","","","","1.243","","","","has coordinates","219376","2020-10-21","18:00:00",""
"7234682","9.4128","0.0002","10.2247","0.0002","22.8025","0.0006","90","","90","","90","","2194.58","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C112 H88 N8 O4 -","4","1","","Vanga Mukundam; Kunchala Dhanunjayarao; Ramesh Mamidala; Krishnan Venkatasubbaiah","Synthesis, characterization and aggregation induced enhanced emission properties of tetraaryl pyrazole decorated cyclophosphazenes","Journal of Materials Chemistry C","2016","4","","3523","3530","10.1039/C6TC00909C","","","0.71073","MoKα","","0.1002","0.0502","","","0.1024","0.1294","","","","","","1.011","","","","has coordinates","219397","2020-10-21","18:00:00",""
"7234731","8.14","0.0006","13.4654","0.0005","16.3082","0.0008","90","","90","","90","","1787.51","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 I N2 O4 -","- C16 H17 I N2 O4 -","- C64 H68 I4 N8 O16 -","4","1","","Popa, Marcel Mirel; Man, Isabela; Draghici, Constantin; Sova, Sergiu; Caira, M. R.; Dumitrascu, Florea; Dumitrescu, Denisa","Halogen bonding in 5-iodo-1-arylpyrazoles investigated in the solid state and predicted by solution 13C-NMR spectroscopy","CrystEngComm","2019","","","","","10.1039/C9CE01263J","","x-ray","0.71073","MoKα","","0.0407","0.0364","","","0.0757","0.0781","","","","","","1.048","","","","has coordinates","219432","2020-10-21","18:00:00",""
"7234753","7.7093","0.0005","14.9332","0.0009","23.5619","0.0014","90","","90","","90","","2712.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H28 N O3 P -","- C35 H28 N O3 P -","- C140 H112 N4 O12 P4 -","4","1","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0738","0.0488","","","0.092","0.1011","","","","","","1.025","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234754","7.1528","0.0007","15.2774","0.0016","43.271","0.004","90","","90","","90","","4728.5","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N O3 P -","- C27 H25 Cl N O3 P -","- C216 H200 Cl8 N8 O24 P8 -","8","2","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0687","0.0511","","","0.1145","0.1246","","","","","","1.037","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234756","8.1428","0.001","11.1701","0.0012","25.718","0.003","90","","90","","90","","2339.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N O3 P -","- C27 H25 Cl N O3 P -","- C108 H100 Cl4 N4 O12 P4 -","4","1","","Terraneo, Giancarlo; Cardellicchio, Cosimo; Pigliacelli, Claudia; Capozzi, Maria Annunziata M.","Stacked Aryl Groups in P-Resolved Cyclic Phosphonamides as a new conformational constrain","CrystEngComm","2019","","","","","10.1039/C9CE01382B","","","0.71073","MoKα","","0.0413","0.0368","","","0.0935","0.0964","","","","","","1.058","","","","has coordinates","219469","2020-10-21","18:00:00",""
"7234759","6.6564","0.0002","10.3704","0.0003","17.9622","0.0006","90","","90","","90","","1239.92","0.07","150","2","150","2","","","","","","","Fomitopsis pinicola","3","P 21 21 21","P 2ac 2ab","19","","Fomitopin-A","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Tai, Shih-Huang; Kuo, Ping-Chung; Hung, Ching-Che; Lin, Ying-Hsuan; Hwang, Tsong-Long; Lam, Sio Hong; Kuo, Daih-Huang; Wu, Jin-Bin; Hung, Hsin-Yi; Wu, Tian-Shung","Bioassay-guided purification of sesquiterpenoids from the fruiting bodies of Fomitopsis pinicola and their anti-inflammatory activity","RSC Advances","2019","9","59","34184","","10.1039/C9RA05899K","","x-ray","1.54178","CuKα","","0.0407","0.0375","","","0.0975","0.1","","","","","","1.022","","","","has coordinates","219483","2020-10-21","18:00:00",""
"7234772","11.4915","0.0012","14.5392","0.0016","15.7532","0.0017","90","","90","","90","","2632","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H18 B F2 N3 O3 -","- C33 H18 B F2 N3 O3 -","- C132 H72 B4 F8 N12 O12 -","4","1","","Yanping Wu; Sisi Wang; Zhifang Li; Zhen Shen; Hua Lu","Chiral binaphthyl-linked BODIPY analogues: synthesis and spectroscopic properties","Journal of Materials Chemistry C","2016","4","","4668","4674","10.1039/C6TC00975A","","","0.71073","MoKα","","0.0624","0.0387","","","0.0812","0.0918","","","","","","1.015","","","","has coordinates","220065","2020-10-21","18:00:00",""
"7234773","11.4844","0.0015","14.5457","0.0016","15.7575","0.0019","90","","90","","90","","2632.3","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H18 B F2 N3 O3 -","- C33 H18 B F2 N3 O3 -","- C132 H72 B4 F8 N12 O12 -","4","1","","Yanping Wu; Sisi Wang; Zhifang Li; Zhen Shen; Hua Lu","Chiral binaphthyl-linked BODIPY analogues: synthesis and spectroscopic properties","Journal of Materials Chemistry C","2016","4","","4668","4674","10.1039/C6TC00975A","","","0.71073","MoKα","","0.068","0.0407","","","0.0855","0.1049","","","","","","1.035","","","","has coordinates","220065","2020-10-21","18:00:00",""
"7234777","7.639","0.003","7.759","0.003","42.556","0.017","90","","90","","90","","2522.3","1.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 O2 S2 -","- C28 H36 O2 S2 -","- C112 H144 O8 S8 -","4","1","","Christian Ruzie; Jolanta Karpinska; Anne Laurent; Lionel Sanguinet; Simon Hunter; Thomas D. Anthopoulos; Vincent Lemaur; Jerome Cornil; Alan R. Kennedy; Oliver Fenwick; Paolo Samori; Guillaume Schweicher; Basab Chattopadhyay; Yves Henri Geerts","Design, synthesis, chemical stability, packing, cyclic voltammetry, ionisation potential, and charge transport of [1]benzothieno[3,2-b][1]benzothiophene derivatives","Journal of Materials Chemistry C","2016","4","","4863","4879","10.1039/C6TC01409G","","","0.71073","MoKα","","0.0511","0.0489","","","0.1207","0.1232","","","","","","1.064","","","","has coordinates","220094","2020-10-21","18:00:00",""
"7234801","8.8131","0.0005","10.9659","0.0005","18.8718","0.0011","90","","90","","90","","1823.84","0.17","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Ag N5 O4 -","- C15 H20 Ag N5 O4 -","- C60 H80 Ag4 N20 O16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0645","0.05","","","0.1153","0.1242","","","","","","1.04","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234807","8.9927","0.0007","10.6548","0.0008","19.9208","0.0011","90","","90","","90","","1908.7","0.2","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Ag Cl N4 O4 -","- C15 H20 Ag Cl N4 O4 -","- C60 H80 Ag4 Cl4 N16 O16 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0995","0.0625","","","0.1633","0.1908","","","","","","1.039","","","","has coordinates,has disorder","220343","2020-10-21","18:00:00",""
"7234808","9.4896","0.0004","11.622","0.0004","19.7734","0.0008","90","","90","","90","","2180.77","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Cd Cl2 N4 O9 -","- C15 H22 Cd Cl2 N4 O9 -","- C60 H88 Cd4 Cl8 N16 O36 -","4","1","","Zhu, Li-Na; Deng, Zhaopeng; Huo, Li-Hua; Gao, Shan","A series of helical coordination polymers based on two racemic bis(pyridylmethylene) propane-1,2-diamine ligands: Relationship of conformations, structures and properties","CrystEngComm","2019","","","","","10.1039/C9CE01210A","","","0.71073","MoKα","","0.0783","0.0712","","","0.1872","0.1956","","","","","","1.018","","","","has coordinates","220343","2020-10-21","18:00:00",""
"7234810","5.709","0.004","12.143","0.008","14.775","0.009","90","","90","","90","","1024.3","1.2","100","2","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 O9 -","- C9 H8 O9 -","- C36 H32 O36 -","4","1","","Zhou, Hui; Zhang, Hui; Mu, Sen; Zhang, Wen-Zhen; Ren, Wei-Min; Lu, Xiaobing","Highly Regio- and Stereoselective Synthesis of Cyclic Carbonates from Biomass-derived Polyols via Organocatalytic Cascade Reaction","Green Chemistry","2019","","","","","10.1039/C9GC03013A","","","0.71073","MoKα","","0.0664","0.0373","","","0.079","0.09","","","","","","0.989","","","","has coordinates","220348","2020-10-21","18:00:00",""
"7234813","8.238","0.007","13.923","0.012","17.649","0.015","90","","90","","90","","2024","3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 Cl3 O10 -","- C15 H17 Cl3 O10 -","- C60 H68 Cl12 O40 -","4","1","","Zhou, Hui; Zhang, Hui; Mu, Sen; Zhang, Wen-Zhen; Ren, Wei-Min; Lu, Xiaobing","Highly Regio- and Stereoselective Synthesis of Cyclic Carbonates from Biomass-derived Polyols via Organocatalytic Cascade Reaction","Green Chemistry","2019","","","","","10.1039/C9GC03013A","","","0.71073","MoKα","","0.1207","0.0658","","","0.1611","0.1913","","","","","","1.031","","","","has coordinates","220348","2020-10-21","18:00:00",""
"7234908","9.4129","0.0003","9.5475","0.0003","23.9584","0.0007","90","","90","","90","","2153.13","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H32 Br4 Cu N2 -","- C12 H32 Br4 Cu N2 -","- C48 H128 Br16 Cu4 N8 -","4","1","","Muhammad Adnan Asghar; Shuquan Zhang; Tariq Khan; Zhihua Sun; Aurang Zeb; Chengmin Ji; Lina Li; Sangen Zhao; Junhua Luo","Reversible phase transition driven by order-disorder transformations of metal-halide moieties in [(C6H14)NH2]2.CuBr4","Journal of Materials Chemistry C","2016","4","","7537","7540","10.1039/C6TC02034H","","","1.54184","CuKα","","0.044","0.0431","","","0.1092","0.1105","","","","","","1.042","","","","has coordinates","222548","2020-10-21","18:00:00",""
"7234909","9.4357","0.0005","9.5934","0.0005","24.6862","0.0008","90","","90","","90","","2234.61","0.18","173","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H32 Br4 Cu N2 -","- C12 H32 Br4 Cu N2 -","- C48 H128 Br16 Cu4 N8 -","4","1","","Muhammad Adnan Asghar; Shuquan Zhang; Tariq Khan; Zhihua Sun; Aurang Zeb; Chengmin Ji; Lina Li; Sangen Zhao; Junhua Luo","Reversible phase transition driven by order-disorder transformations of metal-halide moieties in [(C6H14)NH2]2.CuBr4","Journal of Materials Chemistry C","2016","4","","7537","7540","10.1039/C6TC02034H","","","1.54184","CuKα","","0.0509","0.0334","","","0.0702","0.0788","","","","","","1","","","","has coordinates,has disorder","222548","2020-10-21","18:00:00",""
"7234913","5.3294","0.0002","10.3097","0.0005","19.2218","0.0009","90","","90","","90","","1056.13","0.08","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Cl N2 O6 -","- C8 H11 Cl N2 O6 -","- C32 H44 Cl4 N8 O24 -","4","1","","Maciej Wojtas; Anna Gagor; Andrei L. Kholkin","Strong piezoelectricity in [H-beta-(2-pyridyl)-Ala-OH][BF4] and [H-beta-(2-pyridyl)-Ala-OH][ClO4] - new amino acid based hybrid crystals","Journal of Materials Chemistry C","2016","4","","7622","7631","10.1039/C6TC02206E","","","0.71073","MoKα","","0.0447","0.0325","","","0.0781","0.0832","","","","","","0.852","","","","has coordinates","222668","2020-10-21","18:00:00",""
"7234916","7.7024","0.0011","15.716","0.002","18.368","0.003","90","","90","","90","","2223.5","0.6","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Cl4 N4 O -","- C18 H30 Cl4 N4 O -","- C72 H120 Cl16 N16 O4 -","4","1","","Li, Haitao; Yang, Yuxia; Famulari, Antonino; Xin, Lianxin; Martí-Rujas, Javier; Guo, Fang","Reactivity among first and second coordination spheres using a multiprotonated ligand and Cu(ii) in the solid-state","CrystEngComm","2019","21","29","4354","","10.1039/C9CE00783K","","","0.71073","MoKα","","0.0342","0.0323","","","0.0775","0.0789","","","","","","1.12","","","","has coordinates","223240","2020-10-21","18:00:00",""
"7234929","9.6398","0.0008","12.1917","0.0011","25.562","0.002","90","","90","","90","","3004.2","0.4","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H22 Cd N4 O8 -","- C33 H22 Cd N4 O8 -","- C132 H88 Cd4 N16 O32 -","4","1","","Fan, Chuanbin; Zong, Ziao; Meng, Xiangmin; Zhang, Xia; Zhang, Xiaoyin; Zhang, Dongmei; Xu, Cungang; Wang, Hu; Fan, Yuhua","Rational synthesis, crystal structure, and sensing and adsorption properties of luminescent metal‒organic frameworks","CrystEngComm","2019","21","33","4880","","10.1039/C9CE00545E","","","0.71073","MoKα","","0.0449","0.0365","","","0.0671","0.071","","","","","","1.014","","","","has coordinates,has disorder","223245","2020-10-21","18:00:00",""
"7234934","8.2333","0.0004","15.4642","0.0009","20.9533","0.0009","90","","90","","90","","2667.8","0.2","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 I5 N2 O3 -","- C19 H29 I5 N2 O3 -","- C76 H116 I20 N8 O12 -","4","1","","Adonin, Sergey A.; Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P.","Halogen bonding in the structures of pentaiodobenzoic acid and its salts","CrystEngComm","2019","21","43","6666","","10.1039/C9CE01106D","","x-ray","0.71073","MoKα","","0.0383","0.0322","","","0.0584","0.0614","","","","","","1.021","","","","has coordinates","223246","2020-10-21","18:00:00",""
"7235039","5.7908","0.0006","11.3325","0.0013","17.388","0.0019","90","","90","","90","","1141.1","0.2","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H4 Br2 O2 S2 -","- C10 H4 Br2 O2 S2 -","- C40 H16 Br8 O8 S8 -","4","1","","Weifeng Zhang; Zupan Mao; Naihang Zheng; Jiabin Zou; Liping Wang; Congyuan Wei; Jianyao Huang; Dong Gao; Gui Yu","Highly planar cross-conjugated alternating polymers with multiple conformational locks: synthesis, characterization and their field-effect properties","Journal of Materials Chemistry C","2016","4","","9266","9275","10.1039/C6TC02891H","","","0.71073","MoKα","","0.0297","0.0277","","","0.0571","0.0582","","","","","","1.069","","","","has coordinates","227704","2020-10-21","18:00:00",""
"7235048","7.708","0.0001","12.549","0.0002","13.1278","0.0002","90","","90","","90","","1269.82","0.03","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Zhao, Zhen-Zhu; Liang, Xu-Bo; Feng, Wei-Sheng; Wu, Ya; Zhi, Yan-Le; Xue, Gui-Min; Chen, He-Ping; Liu, Ji-Kai","Unusual constituents from the medicinal mushroom Ganoderma lingzhi","RSC Advances","2019","9","63","36931","","10.1039/C9RA08566A","","","1.54178","CuKα","","0.0513","0.0513","","","0.1314","0.1315","","","","","","1.061","","","","has coordinates","227757","2020-10-21","18:00:00",""
"7235070","5.7721","0.0007","12.3373","0.0015","24.977","0.003","90","","90","","90","","1778.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Cl N3 O4 -","- C18 H20 Cl N3 O4 -","- C72 H80 Cl4 N12 O16 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Vener, Mikhail V.; Churakov, Andrei V.; Perlovich, German L.","Specific features of supramolecular organisation and hydrogen bonding in proline cocrystals: a case study of fenamates and diclofenac","CrystEngComm","2018","20","43","6970","","10.1039/C8CE01458B","","","0.71073","MoKα","","0.0319","0.0275","","","0.0626","0.0648","","","","","","1.045","","","","has coordinates","227779","2020-10-21","18:00:00",""
"7235091","5.9273","0.0002","8.7713","0.0005","28.0747","0.0015","90","","90","","90","","1459.61","0.12","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","S-naproxen ethanol solvate","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid; ethanol","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","0.71073","MoKα","","0.0513","0.0424","","","0.1029","0.1103","","","","","","1.099","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235092","5.84172","0.00009","8.98394","0.00013","45.6816","0.0008","90","","90","","90","","2397.45","0.07","407","","407","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RS-naproxen L-proline 1:2 cocrystal","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;tetrakis((2S)-pyrrolidine-2-carboxylic acid);","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.708","synchrotron","","","","","","","","","4.228","4.12","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235096","5.8836","0.0007","9.0952","0.0018","44.047","0.01","90","","90","","90","","2357.1","0.8","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen DL-proline 1:2 cocrystal","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2R)-pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylate","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.1036","0.0607","","","0.122","0.1475","","","","","","0.979","","","","has coordinates,has disorder","227795","2020-10-21","18:00:00",""
"7235097","5.7018","0.0001","18.8609","0.0003","37.2392","0.0005","90","","90","","90","","4004.74","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-proline 2:3 cocrystal","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid) tris((2S)-pyrrolidin-1-ium-2-carboxylate)","","- C43 H55 N3 O12 -","- C43 H55 N3 O12 -","- C172 H220 N12 O48 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","0.82656","synchrotron","","0.0937","0.0642","","","0.1443","0.1729","","","","","","0.954","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235098","6.06468","0.00013","12.2629","0.0003","50.629","0.0015","90","","90","","90","","3765.31","0.17","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1:1 S-naproxen DL-proline cocrystal hydrate","bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid); (2R)-pyrrolidin-1-ium-2-carboxylate; (2S)-pyrrolidin-1-ium-2-carboxylate; water","","- C38 H50 N2 O12 -","- C38 H50 N2 O12 -","- C152 H200 N8 O48 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","0.798","synchrotron","","","","","","","","","2.59","22.67","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235099","5.8816","0.00007","8.79809","0.0001","45.4679","0.0005","90","","90","","90","","2352.82","0.05","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-naproxen L-proline 1:2 cocrystal","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-pyrrolidin-1-ium-2-carboxylate)","","- C24 H32 N2 O7 -","- C24 H32 N2 O7 -","- C96 H128 N8 O28 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","","","1.54184","CuKα","","0.0415","0.0404","","","0.1094","0.111","","","","","","1.034","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235101","12.5901","0.0006","5.7587","0.0003","51.425","0.003","90","","90","","90","","3728.4","0.3","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","RS-naproxen D-proline 1:1 cocrystal, polymorph II","(2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2R)-pyrrolidin-1-ium-2-carboxylate), polymorph II","","- C38 H46 N2 O10 -","- C38 H46 N2 O10 -","- C152 H184 N8 O40 -","4","1","","Tumanova, Natalia; Tumanov, Nikolay; Fischer, Franziska; Morelle, Fabrice; Ban, Voraksmy; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Emmerling, Franziska; Leyssens, Tom","Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals","CrystEngComm","2018","20","45","7308","","10.1039/C8CE01338A","powder diffraction","","1.0007","synchrotron","","","","","","","","","12.489","36.98","","","","","","","has coordinates","227795","2020-10-21","18:00:00",""
"7235186","10.496","0.002","12.396","0.003","16.254","0.003","90","","90","","90","","2114.8","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Mn N9 P -","- C15 H22 Mn N9 P -","- C60 H88 Mn4 N36 P4 -","4","1","","Fu-Juan Geng; Lin Zhou; Ping-Ping Shi; Xiao-Li Wang; Xuan Zheng; Yi Zhang; Da-Wei Fu; Qiong Ye","Perovskite-type organic-inorganic hybrid NLO switches tuned by guest cations","Journal of Materials Chemistry C","2017","5","","1529","1536","10.1039/C6TC05105G","","","0.71073","MoKα","","0.0819","0.0552","","","0.125","0.1376","","","","","","1.04","","","","has coordinates","231036","2020-10-21","18:00:00",""
"7235187","10.694","0.002","12.092","0.002","16.108","0.003","90","","90","","90","","2083","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Mn N9 O P -","- C14 H20 Mn N9 O P -","- C56 H80 Mn4 N36 O4 P4 -","4","1","","Fu-Juan Geng; Lin Zhou; Ping-Ping Shi; Xiao-Li Wang; Xuan Zheng; Yi Zhang; Da-Wei Fu; Qiong Ye","Perovskite-type organic-inorganic hybrid NLO switches tuned by guest cations","Journal of Materials Chemistry C","2017","5","","1529","1536","10.1039/C6TC05105G","","","0.71073","MoKα","","0.1024","0.0601","","","0.1338","0.1537","","","","","","1.03","","","","has coordinates","231036","2020-10-21","18:00:00",""
"7235190","9.2282","0.0003","10.7038","0.0003","25.8222","0.0008","90","","90","","90","","2550.63","0.14","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Acetonitrile)-(3,11-di-t-butyl-3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene)-copper tetrafluoroborate","","- C24 H35 B Cu F4 N5 -","- C24 H35 B Cu F4 N5 -","- C96 H140 B4 Cu4 F16 N20 -","4","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0199","0.0195","","","0.0508","0.051","","","","","","1.05","","","","has coordinates","231039","2020-10-21","18:00:00",""
"7235194","9.21714","0.00018","11.1644","0.0002","25.851","0.0006","90","","90","","90","","2660.17","0.09","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(Acetonitrile)-(3,11-di-t-butyl-3,11,17,18-tetraazatricyclo[11.3.1.15,9] octadeca-1(17),5(18),6,8,13,15-hexaene)-copper hexafluorophosphate","","- C24 H35 Cu F6 N5 P -","- C24 H35 Cu F6 N5 P -","- C96 H140 Cu4 F24 N20 P4 -","4","1","","G. A. Filonenko; R. R. Fayzullin; J. R. Khusnutdinova","Intramolecular non-covalent interactions as a strategy towards controlled photoluminescence in copper(i) complexes","Journal of Materials Chemistry C","2017","5","","1638","1645","10.1039/C6TC04989C","","x-ray","0.71073","MoKα","","0.0249","0.0244","","","0.0631","0.0634","","","","","","1.043","","","","has coordinates","231043","2020-10-21","18:00:00",""
"7235256","8.6559","0.0005","15.6308","0.0009","16.2787","0.0008","90","","90","","90","","2202.5","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C96 H56 Br12 N12 O5 -","- C96 H56 Br12 N12 O5 -","- C96 H56 Br12 N12 O5 -","1","0.25","","Gohain, Shivanee Borpatra; Basumatary, Monika; Boruah, Purna K.; Das, Manash R.; Thakur, Ashim Jyoti","Nano Au/Pd-catalysed ‘on-water’ synthesis of C3‒C3′ diaryl-oxindole scaffolds via N2-selective dearomatization of indole","Green Chemistry","2020","22","1","170","179","10.1039/C9GC02370D","","","0.71073","MoKα","","0.1928","0.0596","","","0.1108","0.1538","","","","","","0.94","","","","has coordinates","257573","2020-10-21","18:00:00",""
"7235289","9.359","0.004","10.657","0.004","19.105","0.007","90","","90","","90","","1905.5","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N5 O4 -","- C17 H27 N5 O4 -","- C68 H108 N20 O16 -","4","1","","Agrawal, Sumit K.; Panini, Piyush; Sathe, Manisha; Chopra, Deepak; Kaushik, M. P.","Design and synthesis of cyclic depsipeptides containing triazole (CDPT) rings","RSC Advances","2014","4","21","10728","","10.1039/c3ra45100c","","","0.71073","MoKα","","0.1384","0.0719","","","0.1407","0.1679","","","","","","0.906","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7235308","8.67","0.002","19.624","0.005","25.099","0.007","90","","90","","90","","4270.3","1.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 N4 O13 S3 -","- C42 H42 N4 O13.15 S3 -","- C168 H168 N16 O52.6 S12 -","4","1","","Pandeeswar, M.; Khare, Harshavardhan; Ramakumar, Suryanarayanarao; Govindaraju, T.","Biomimetic molecular organization of naphthalene diimide in the solid state: tunable (chiro-) optical, viscoelastic and nanoscale properties","RSC Adv.","2014","4","39","20154","","10.1039/C3RA47257D","","","0.71073","MoKα","","0.1382","0.0707","","","0.1376","0.1685","","","","","","0.979","","","","has coordinates","232680","2020-10-21","18:00:00",""
"7235334","6.094","0.0005","15.4178","0.0015","17.637","0.002","90","","90","","90","","1657.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Komarov, Igor V.","Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid","RSC Advances","2014","4","21","10894","","10.1039/c3ra47725h","","","0.71073","MoKα","","0.2135","0.0484","","","0.0471","0.0637","","","","","","0.793","","","","has coordinates","232697","2020-10-21","18:00:00",""
"7235335","6.1255","0.0006","11.218","0.0011","24.188","0.002","90","","90","","90","","1662.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Komarov, Igor V.","Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid","RSC Advances","2014","4","21","10894","","10.1039/c3ra47725h","","","0.71073","MoKα","","0.1945","0.0546","","","0.0657","0.0842","","","","","","0.84","","","","has coordinates","232697","2020-10-21","18:00:00",""
"7235350","5.8525","0.0014","7.4196","0.0018","45.092","0.01","90","","90","","90","","1958","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Cl Fe O4 -","- C22 H19 Cl Fe O4 -","- C88 H76 Cl4 Fe4 O16 -","4","1","","Chen, Shufeng; Du, Yan; Zhao, Haiying; Li, Baoguo","Rh2(OAc)4-catalyzed 2,3-migration of β-ferrocenecarboxyl α-diazocarbonyl compounds: an efficient synthesis of ferrocene-containing α,β-unsaturated esters","RSC Advances","2014","4","24","12482","","10.1039/c3ra48071b","","","0.71073","MoKα","","0.0468","0.0422","","","0.0806","0.0813","","","","","","1.935","","","","has coordinates","232713","2020-10-21","18:00:00",""
"7235385","6.4061","0.0003","10.243","0.0006","16.3818","0.0008","90","","90","","90","","1074.94","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4.5 H2 F2 N2 O -","- C4.5 H2 F2 N2 O -","- C36 H16 F16 N16 O8 -","8","2","","Kumar, A. Sudheer; Kommu, Nagarjuna; Ghule, Vikas D.; Sahoo, Akhila K.","Synthesis of trifluoromethyl-substituted N-aryl-poly-1,2,3-triazole derivatives","Journal of Materials Chemistry A","2014","2","21","7917","","10.1039/c3ta15184k","","","0.71073","MoKα","","0.0372","0.0332","","","0.0862","0.0892","","","","","","1.057","","","","has coordinates","232721","2020-10-21","18:00:00",""
"7235393","5.786","0.0007","24.375","0.003","25.285","0.003","90","","90","","90","","3566","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","PEPSEQ A=2 PHE*-PHE*","'(β^3^-homophenylalanyl)-phenylalanine) hemihydrate'","","- C38 H46 N4 O7 -","- C38 H44 N4 O7 -","- C152 H176 N16 O28 -","4","1","","Parween, Shaheena; Misra, Anurag; Ramakumar, Suryanarayanarao; Chauhan, Virander Singh","Self-assembled dipeptide nanotubes constituted by flexible β-phenylalanine and conformationally constrained α,β-dehydrophenylalanine residues as drug delivery system","Journal of Materials Chemistry B","2014","2","20","3096","","10.1039/c3tb21856b","","","0.71073","MoKα","","0.2237","0.0781","","","0.1468","0.2077","","","","","","0.972","","","","has coordinates","232724","2020-10-21","18:00:00",""
"7235474","6.5803","0.0006","6.6436","0.0006","32.419","0.003","90","","90","","90","","1417.3","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N2 O3 Se -","- C15 H12 N2 O3 Se -","- C60 H48 N8 O12 Se4 -","4","1","","Balkrishna, Shah Jaimin; Hodage, Ananda S.; Kumar, Shailesh; Panini, Piyush; Kumar, Sangit","Sensitive and regenerable organochalcogen probes for the colorimetric detection of thiols","RSC Adv.","2014","4","23","11535","","10.1039/C4RA00381K","","","0.71073","MoKα","","0.0534","0.037","","","0.076","0.0802","","","","","","1.062","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7235482","6.6951","0.0009","7.9252","0.0011","29.888","0.004","90","","90","","90","","1585.9","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O S -","- C16 H18 Cl N O S -","- C64 H72 Cl4 N4 O4 S4 -","4","1","","Li, Desheng; Li, Ya; Chen, Zhiqiu; Shang, Huaqi; Li, Hongsen; Ren, Xinfeng","Stereoselective synthesis of α-(dichloromethyl)-amines, α-(chloromethyl)amines, and α-chloro-aziridines","RSC Advances","2014","4","27","14254","","10.1039/c4ra00471j","","","0.71073","MoKα","","0.0306","0.0284","","","0.0704","0.0719","","","","","","1.048","","","","has coordinates","233066","2020-10-21","18:00:00",""
"7235499","6.747","0.002","9.047","0.003","16.973","0.005","90","","90","","90","","1036","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H3 Cu N5 O6 -","- C7 H3 Cu N5 O6 -","- C28 H12 Cu4 N20 O24 -","4","1","","Liu, Xiangyu; Yang, Qi; Su, Zhiyong; Chen, Sanping; Xie, Gang; Wei, Qing; Gao, Shengli","3D high-energy-density and low sensitivity materials: synthesis, structure and physicochemical properties of an azide‒Cu(ii) complex with 3,5-dinitrobenzoic acid","RSC Adv.","2014","4","31","16087","","10.1039/C4RA00635F","","","0.71073","MoKα","","0.0777","0.0537","","","0.127","0.1408","","","","","","1","","","","has coordinates","233079","2020-10-21","18:00:00",""
"7235505","5.9635","0.0001","13.7471","0.0003","28.1129","0.0006","90","","90","","90","","2304.72","0.08","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 O4 -","- C27 H32 O4 -","- C108 H128 O16 -","4","1","","Han, Mei-Ling; Shen, Yu; Leng, Ying; Zhang, Hua; Yue, Jian-Min","New rearranged limonoids from Walsura cochinchinensis","RSC Adv.","2014","4","37","19150","","10.1039/C4RA00708E","","","1.54178","CuKα","","0.042","0.0419","","","0.1162","0.1163","","","","","","1.086","","","","has coordinates","233086","2020-10-21","18:00:00",""
"7235512","8.2328","0.0002","12.2627","0.0002","21.8139","0.0004","90","","90","","90","","2202.25","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O5 -","- C25 H26 N2 O5 -","- C100 H104 N8 O20 -","4","1","","Chiou, Wen-Hua; Chiang, Yu-Min","Synthesis of (−)-epibatidine","RSC Adv.","2014","4","22","11444","","10.1039/C4RA00770K","","x-ray","1.54178","CuKα","","0.0338","0.0315","","","0.0839","0.0855","","","","","","1.013","","","","has coordinates","233093","2020-10-21","18:00:00",""
"7235514","11.9418","0.0003","12.1022","0.0003","14.2821","0.0003","90","","90","","90","","2064.08","0.08","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Flickinflimbrolide-2,3-acetonide","","","- C22 H34 O5 -","- C22 H34 O5 -","- C88 H136 O20 -","4","1","","Chen, Jin-Long; Zhao, Zhi-Min; Xue, Xue; Tang, Gui-Hua; Zhu, Long-Ping; Yang, De-Po; Jiang, Lin","Bioactive norditerpenoids from Flickingeria fimbriata","RSC Adv.","2014","4","28","14447","","10.1039/C4RA00835A","","","1.54184","CuKα","","0.034","0.0324","","","0.0808","0.0825","","","","","","1.105","","","","has coordinates","233095","2020-10-21","18:00:00",""
"7235516","10.0224","0.0004","13.5194","0.0006","24.2193","0.0011","90","","90","","90","","3281.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 N4 O0.5 -","- C40 H38 N4 O0.5 -","- C160 H152 N16 O2 -","4","1","","Sham, Kiu-Chor; Yee, Chi-Chung; Pan, Yi; Lau, Kai-Chung; Yiu, Shek-Man; Kwong, Hoi-Lun","Acid-induced formation of hydrogen-bonded double helix based on chiral polyphenyl-bridged bis(2,2′-bipyridine) ligands","RSC Adv.","2014","4","28","14513","","10.1039/C4RA00849A","","","0.71073","MoKα","","0.0649","0.04","","","0.0804","0.0846","","","","","","0.989","","","","has coordinates","233097","2020-10-21","18:00:00",""
"7235522","6.5378","0.0001","12.7943","0.0003","17.9426","0.0004","90","","90","","90","","1500.84","0.05","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 S -","- C14 H17 N O4 S -","- C56 H68 N4 O16 S4 -","4","1","","Singhamahapatra, Anadi; Sahoo, Laxminarayan; Varghese, Babu; Loganathan, Duraikkannu","Synthesis of glycopeptoid sulfonamides diversifying N-glycopeptide linkage region mimics","RSC Advances","2014","4","35","18038","","10.1039/c4ra01009d","","","0.71073","MoKα","","0.029","0.0266","","","0.0745","0.0775","","","","","","1.064","","","","has coordinates","233102","2020-10-21","18:00:00",""
"7235523","6.5396","0.0002","12.8007","0.0006","17.9487","0.0009","90","","90","","90","","1502.51","0.11","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O4 S -","- C14 H17 N O4 S -","- C56 H68 N4 O16 S4 -","4","1","","Singhamahapatra, Anadi; Sahoo, Laxminarayan; Varghese, Babu; Loganathan, Duraikkannu","Synthesis of glycopeptoid sulfonamides diversifying N-glycopeptide linkage region mimics","RSC Advances","2014","4","35","18038","","10.1039/c4ra01009d","","","0.71073","MoKα","","0.031","0.0275","","","0.076","0.0797","","","","","","1.077","","","","has coordinates","233102","2020-10-21","18:00:00",""
"7235531","10.3349","0.0004","11.8962","0.0004","20.2894","0.0008","90","","90","","90","","2494.5","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N O9 Zn2 -","- C12 H11 N O9 Zn2 -","- C48 H44 N4 O36 Zn8 -","4","1","","Lili, Liu; Xin, Zhang; Shumin, Rang; Ying, Yang; Xiaoping, Dai; Jinsen, Gao; Chunming, Xu; Jing, He","Catalysis by metal‒organic frameworks: proline and gold functionalized MOFs for the aldol and three-component coupling reactions","RSC Adv.","2014","4","25","13093","","10.1039/C4RA01269K","","","0.71073","MoKα","","0.067","0.0527","","","0.1788","0.1908","","","","","","1.08","","","","has coordinates","233111","2020-10-21","18:00:00",""
"7235560","5.361","0.005","11.911","0.005","15.763","0.005","90","0.005","90","0.005","90","0.005","1006.5","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Yasmin, Nasima; Ghosh, Munmun; Ray, Jayanta K.","P4S10 and Na2S-mediated novel annulation routes to c-fused thiophenes","RSC Advances","2014","4","38","19932","","10.1039/c4ra01639d","","","0.71073","MoKα","","0.0677","0.049","","","0.134","0.146","","","","","","1.074","","","","has coordinates","233133","2020-10-21","18:00:00",""
"7235591","9.0903","0.0001","9.5673","0.0001","24.6946","0.0001","90","","90","","90","","2147.68","0.03","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N O5 S -","- C21 H29 N O5 S -","- C84 H116 N4 O20 S4 -","4","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0214","0.0212","","0.0577","0.0575","0.0577","","","","","","1.0124","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235592","9.1567","0.0001","13.7873","0.0001","17.7687","0.0002","90","","90","","90","","2243.23","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O6 -","- C23 H33 N O6 -","- C92 H132 N4 O24 -","4","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0286","0.028","","0.0745","0.0735","0.0744","","","","","","0.9939","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235593","10.9217","0.0001","13.2521","0.0001","15.2021","0.0001","90","","90","","90","","2200.28","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O6 -","- C23 H33 N O6 -","- C92 H132 N4 O24 -","4","1","","Heaviside, Elizabeth A.; Moloney, Mark G.; Thompson, Amber L.","Diastereoselective intramolecular aldol ring closures of threonine derivatives leading to densely functionalised pyroglutamates related to oxazolomycin","RSC Adv.","2014","4","31","16233","","10.1039/C4RA01967A","","","1.5418","CuKα","","0.0276","0.0265","","0.0678","0.067","0.0678","","","","","","1.0118","","","","has coordinates","233155","2020-10-21","18:00:00",""
"7235595","5.0547","0.0004","13.3237","0.001","23.2593","0.0018","90","","90","","90","","1566.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl N5 O S -","- C15 H14 Cl N5 O S -","- C60 H56 Cl4 N20 O4 S4 -","4","1","","García-Rubiño, M. E.; Núñez-Carretero, M. C.; Choquesillo-Lazarte, D.; García-Ruiz, J. M.; Madrid, Yolanda; Campos, J. M.","Stereospecific alkylation of substituted adenines by the Mitsunobu coupling reaction under microwave-assisted conditions","RSC Adv.","2014","4","43","22425","","10.1039/C4RA01968G","","","1.54178","CuKα","","0.0627","0.0506","","","0.1236","0.1349","","","","","","1.098","","","","has coordinates","233157","2020-10-21","18:00:00",""
"7235606","9.596","0.004","11.669","0.005","17.743","0.008","90","","90","","90","","1986.8","1.5","293.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C80 H116 N4 O12 -","4","1","","Sarmah, Barnali; Baishya, Gakul; Baruah, Rajani K.","First example of a Prins‒Ritter reaction on terpenoids: a diastereoselective route to novel 4-amido-octahydro-2H-chromenes","RSC Advances","2014","4","43","22387","","10.1039/c4ra02124j","","","0.71075","MoKα","","","0.0811","","","","0.0914","","","","","","3.532","","","","has coordinates","233170","2020-10-21","18:00:00",""
"7235618","8.9306","0.0005","13.0866","0.0008","19.8566","0.0011","90","","90","","90","","2320.7","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O8 -","- C26 H24 O8 -","- C104 H96 O32 -","4","1","","Naveen, Naveen; Babu, Srinivasarao Arulananda; Kaur, Gurpreet; Aslam, Nayyar Ahmad; Karanam, Maheswararao","Glaser‒Eglinton‒Hay sp‒sp coupling and macrocyclization: construction of a new class of polyether macrocycles having a 1,3-diyne unit","RSC Adv.","2014","4","36","18904","","10.1039/C4RA02174F","","","0.71073","MoKα","","0.0729","0.047","","","0.1068","0.1193","","","","","","1.018","","","","has coordinates","233177","2020-10-21","18:00:00",""
"7235641","4.8868","0.0005","16.136","0.003","19.0524","0.0016","90","","90","","90","","1502.3","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","9-","","- C23 H14 O -","- C23 H14 O -","- C92 H56 O4 -","4","1","","Prakash Rao, H. Surya; Vijjapu, Satish","Synthesis and photochromic properties of benzofuran‒phenanthrene and benzofuran‒pyrene hybrids","RSC Adv.","2014","4","49","25747","","10.1039/C4RA02435D","","","0.7107","MoKα","","0.1361","0.0745","","","0.1847","0.2324","","","","","","1.037","","","","has coordinates","233197","2020-10-21","18:00:00",""
"7235644","7.2831","0.0002","12.4744","0.0003","16.0184","0.0004","90","","90","","90","","1455.31","0.06","173","0.3","173","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O7 -","- C16 H14 O7 -","- C64 H56 O28 -","4","1","","Xiong, Hui; Xiao, Gao-Keng; Chen, Guo-Dong; Chen, He-Ru; Hu, Dan; Li, Xiao-Xia; Zhong, Shi-Wei; Guo, Liang-Dong; Yao, Xin-Sheng; Gao, Hao","Sporormiellin A, the first tetrahydrofuran-fused furochromone with an unprecedented tetracyclic skeleton from Sporormiella minima","RSC Adv.","2014","4","46","24295","","10.1039/C4RA02491E","","","1.54178","CuKα","","0.0385","0.0363","","","0.0966","0.0991","","","","","","1.06","","","","has coordinates","233200","2020-10-21","18:00:00",""
"7235656","12.8591","0.0002","14.2792","0.0002","15.229","0.0002","90","","90","","90","","2796.31","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2,3,4-Tri-<i>O</i>-acetyl-β-L-rhamnopyranosyl)-3,3-diphenylindolin-2-one","","- C32 H31 N O8 -","- C32 H31 N O8 -","- C128 H124 N4 O32 -","4","1","","Kleeblatt, Dennis; Cordes, Christoph A.; Lebrenz, Philipp; Hein, Martin; Feist, Holger; Matin, Abdul; Raza, Rabia; Iqbal, Jamshed; Munshi, Omar; Rahman, Qamar; Villinger, Alexander; Langer, Peter","Synthesis and antiproliferative activity of N-glycosyl-3,3-diaryloxindoles","RSC Advances","2014","4","44","22828","","10.1039/c4ra02627f","","","0.71073","MoKα","","0.0601","0.04","","","0.0868","0.094","","","","","","1.052","","","","has coordinates,has disorder","233206","2020-10-21","18:00:00",""
"7235688","7.76","0.03","9.31","0.03","21.48","0.08","90","","90","","90","","1552","10","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 F3 N2 O4 S -","- C11 H19 F3 N2 O4 S -","- C44 H76 F12 N8 O16 S4 -","4","1","","Wan, Wen; Gao, Wei; Ma, Guobin; Ma, Lei; Wang, Fan; Wang, Jing; Jiang, Haizhen; Zhu, Shizheng; Hao, Jian","Asymmetric aldol reaction organocatalyzed by bifunctional N-prolyl sulfinamides under solvent-free conditions","RSC Adv.","2014","4","51","26563","","10.1039/C4RA03362K","","","0.71073","MoKα","","0.0408","0.0346","","","0.0824","0.0865","","","","","","1.012","","","","has coordinates","233226","2020-10-21","18:00:00",""
"7235720","5.0614","0.0019","17.562","0.006","19.408","0.008","90","","90","","90","","1725.1","1.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C64 H112 N8 O20 -","4","1","","Chavan, Subhash P.; Chavan, Prakash N.; Gonnade, Rajesh G.","Stereospecific synthetic approach towards Tamiflu using the Ramberg‒Backlund reaction from cysteine hydrochloride","RSC Adv.","2014","4","107","62281","","10.1039/C4RA10391B","","","0.71073","MoKα","","0.1696","0.0967","","","0.2631","0.3175","","","","","","1.016","","","","has coordinates","233255","2020-10-21","18:00:00",""
"7235722","6.658","0.002","13.408","0.004","15.881","0.005","90","","90","","90","","1417.7","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 Cl7 N Nb O -","- C5 H9 Cl7 N Nb O -","- C20 H36 Cl28 N4 Nb4 O4 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A simple route to thermally-stable salts of pyrrolidinium-2-carbonylchloride","RSC Adv.","2014","4","105","60878","","10.1039/C4RA12630K","","","0.71073","MoKα","","0.0259","0.0238","","","0.0492","0.0502","","","","","","1.046","","","","has coordinates","233259","2020-10-21","18:00:00",""
"7235723","7.723","0.0013","11.633","0.002","15.913","0.003","90","","90","","90","","1429.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 Cl7 N O Ta -","- C5 H9 Cl7 N O Ta -","- C20 H36 Cl28 N4 O4 Ta4 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A simple route to thermally-stable salts of pyrrolidinium-2-carbonylchloride","RSC Adv.","2014","4","105","60878","","10.1039/C4RA12630K","","","0.71073","MoKα","","0.0243","0.0236","","","0.0523","0.0527","","","","","","1.053","","","","has coordinates","233259","2020-10-21","18:00:00",""
"7235727","5.5132","0.0001","11.811","0.0002","21.7712","0.0003","90","","90","","90","","1417.66","0.04","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cl0 N O4 S Zn0 -","- C13 H19 N O4 S -","- C52 H76 N4 O16 S4 -","4","1","","Hassan Khan, Najm Ul; Zaib, Sumera; Sultana, Kishwar; Khan, Imtiaz; Mougang-Soume, Berline; Nadeem, Humaira; Hassan, Mukhtiar; Iqbal, Jamshed","Metal complexes of tosyl sulfonamides: design, X-ray structure, biological activities and molecular docking studies","RSC Advances","2015","5","38","30125","","10.1039/C4RA16124F","","","1.54178","CuKα","","0.032","0.0314","","","0.0837","0.0841","","","","","","1.042","","","","has coordinates","233264","2020-10-21","18:00:00",""
"7235828","9.97592","0.00018","19.8174","0.0004","20.1513","0.0004","90","","90","","90","","3983.85","0.13","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C75 H22 S2 -","- C75 S2 -","- C300 S8 -","4","1","","Mikie, Tsubasa; Saeki, Akinori; Masuda, Hiroyuki; Ikuma, Naohiko; Kokubo, Ken; Seki, Shu","New efficient (thio)acetalized fullerene monoadducts for organic solar cells: characterization based on solubility, mobility balance, and dark current","Journal of Materials Chemistry A","2015","3","3","1152","","10.1039/C4TA05965D","","","1.54187","CuKα","","0.0981","0.0693","","","0.1742","0.1923","","","","","","1","","","","has coordinates","233360","2020-10-21","18:00:00",""
"7235854","11.757","0.002","12.192","0.002","21.542","0.004","90","","90","","90","","3087.9","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 N10 O13 -","- C6 H6 N10 O13 -","- C48 H48 N80 O104 -","8","2","","Yu, Qiong; Wang, Zhixin; Wu, Bo; Yang, Hongwei; Ju, Xuehai; Lu, Chunxu; Cheng, Guangbin","A study of N-trinitroethyl-substituted aminofurazans: high detonation performance energetic compounds with good oxygen balance","Journal of Materials Chemistry A","2015","3","15","8156","","10.1039/C4TA06974A","","","0.71073","MoKα","","0.0717","0.0453","","","0.0843","0.0926","","","","","","1.035","","","","has coordinates","233385","2020-10-21","18:00:00",""
"7235922","9.0447","0.0015","11.7121","0.0019","18.619","0.003","90","","90","","90","","1972.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Mishra, Amrita; Mishra, Bhuwan B.; Tiwari, Vinod K.","Regioselective facile synthesis of novel isoxazole-linked glycoconjugates","RSC Advances","2015","5","52","41520","","10.1039/C5RA05905D","","","0.71073","MoKα","","0.0626","0.0515","","","0.138","0.1471","","","","","","1.07","","","","has coordinates","233757","2020-10-21","18:00:00",""
"7235968","6.3894","0.0001","11.8924","0.0002","19.9718","0.0004","90","","90","","90","","1517.56","0.05","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Shi, Zhi-Ran; Shen, Yun-Heng; Zhang, Xian-Yuan; Fang, Xin; Zeng, Ren-Tao; Liu, Qing-Xin; Zhuo, Zhi-Guo; Feng, Feng; Zhang, Wei-Dong","Structurally novel C17-sesquiterpene lactones from Ainsliaea pertyoides","RSC Advances","2015","5","111","91640","","10.1039/C5RA16551B","","","1.54178","CuKα","","0.0341","0.0332","","","0.0881","0.0896","","","","","","1.06","","","","has coordinates","233794","2020-10-21","18:00:00",""
"7235989","12.3921","0.0003","17.0679","0.0005","20.9414","0.0006","90","","90","","90","","4429.3","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H70 Al2 N2 O6 Si -","- C42 H70 Al2 N2 O6 Si -","- C168 H280 Al8 N8 O24 Si4 -","4","1","","García-Ríos, Jessica; Hernández-Campos, René Francisco; Rascón-Cruz, Fernando; Moreno-Martínez, Víctor Augusto; Huerta-Lavorie, Raúl; Velázquez-Carmona, Miguel-Ángel; Cea-Olivares, Raymundo; Martínez-Otero, Diego; Jancik, Vojtech","Homo- and heteroalumoxane silicates","RSC Advances","2015","5","121","99722","","10.1039/C5RA18481A","","","0.71073","MoKα","","0.0546","0.0434","","","0.0914","0.0981","","","","","","1.023","","","","has coordinates,has disorder","233815","2020-10-21","18:00:00",""
"7236108","5.2626","0.0015","8.591","0.002","20.393","0.006","90","","90","","90","","922","0.4","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H2 N8 O6 -","- C5 H2 N8 O6 -","- C20 H8 N32 O24 -","4","1","","Schulze, M. C.; Scott, B. L.; Chavez, D. E.","A high density pyrazolo-triazine explosive (PTX)","Journal of Materials Chemistry A","2015","3","35","17963","","10.1039/C5TA05291B","","","0.71073","MoKα","","0.0473","0.0361","","","0.0891","0.0943","","","","","","1.156","","","","has coordinates","233922","2020-10-21","18:00:00",""
"7236238","9.0291","0.0001","14.3287","0.0003","14.8824","0.0003","90","","90","","90","","1925.41","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C88 H96 N8 O16 -","4","1","","Nazarian, Zohreh; Forsyth, Craig","Double cyclization of O-acylated hydroxyamides generates 1,6-dioxa-3,9-diazaspiro[4.4]nonanes a new class of oxy-oxazolidinones","RSC Advances","2016","6","60","55534","","10.1039/C6RA11604C","","","1.54184","CuKα","","0.0231","0.0226","","","0.0589","0.0595","","","","","","1.052","","","","has coordinates","235300","2020-10-21","18:00:00",""
"7236239","10.0012","0.0012","10.368","0.001","12.5874","0.0017","90","","90","","90","","1305.2","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","1","","Nazarian, Zohreh; Forsyth, Craig","Double cyclization of O-acylated hydroxyamides generates 1,6-dioxa-3,9-diazaspiro[4.4]nonanes a new class of oxy-oxazolidinones","RSC Advances","2016","6","60","55534","","10.1039/C6RA11604C","","","1.54184","CuKα","","0.0242","0.0239","","","0.0619","0.0621","","","","","","1.091","","","","has coordinates","235300","2020-10-21","18:00:00",""
"7236250","9.3667","0.0008","20.0172","0.0014","25.3123","0.0018","90","","90","","90","","4745.9","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H14 O31 -","- C36 H14 O31 -","- C144 H56 O124 -","4","1","","Sha, Jing-Quan; Zhong, Xiao-Hua; Wu, Lian-He; Liu, Guo-Dong; Sheng, Ning","Nontoxic and renewable metal‒organic framework based on α-cyclodextrin with efficient drug delivery","RSC Advances","2016","6","86","82977","","10.1039/C6RA16549D","","","0.71073","MoKα","","0.1297","0.1003","","","0.2653","0.2911","","","","","","1.026","","","","has coordinates,has disorder","235312","2020-10-21","18:00:00",""
"7236253","7.9203","0.0002","10.4738","0.0003","16.8627","0.0006","90","","90","","90","","1398.86","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 N2 -","- C19 H14 N2 -","- C76 H56 N8 -","4","1","","Chen, Zhengwang; Wen, Yuelu; Luo, Guotian; Ye, Min; Wang, Qinghao","Transition-metal-free C‒C bond cleavage and formation: efficient synthesis of 2,3-diarylimidazo[1,2-α]pyridines from 2-aminopyridines and alkynoates","RSC Advances","2016","6","89","86464","","10.1039/C6RA19291B","","","0.71073","MoKα","","0.0838","0.0553","","","0.1258","0.1409","","","","","","1.06","","","","has coordinates","235319","2020-10-21","18:00:00",""
"7236260","6.2728","0.0006","9.4396","0.0011","26.241","0.004","90","","90","","90","","1553.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl N O4 -","- C15 H18 Cl N O4 -","- C60 H72 Cl4 N4 O16 -","4","1","","Sharma, Chiranjeev; Singh, Ashawani K.; Joy, Jyothish; Jemmis, Eluvathingal D.; Awasthi, Satish K.","Experimental and theoretical study of intramolecular O⋯O interaction in structurally rigid β-keto carboxylic esters","RSC Advances","2016","6","94","91689","","10.1039/C6RA20483J","","","0.71073","MoKα","","0.0643","0.0508","","","0.1096","0.1163","","","","","","1.023","","","","has coordinates","235328","2020-10-21","18:00:00",""
"7236274","12.2069","0.0002","14.3991","0.0002","22.218","0.0004","90","","90","","90","","3905.22","0.11","100","2","100","2","","","","","","","Parasenecio rubescens","3","P 21 21 21","P 2ac 2ab","19","","Pararunine A","","- C37 H52 O13 -","- C37 H52 O13 -","- C148 H208 O52 -","4","1","","Jin, An; Wu, Wenming; Ruan, Hanli","Sesquiterpenoids and monoterpenoid coumarins from Parasenecio rubescens","RSC Advances","2017","7","9","5167","","10.1039/C6RA24833K","","","1.54178","CuKα","","0.0532","0.052","","","0.1657","0.1686","","","","","","1.055","","","","has coordinates,has disorder","235342","2020-10-21","18:00:00",""
"7236278","6.9601","0.00016","7.10939","0.00015","27.6935","0.0007","90","","90","","90","","1370.33","0.06","101.5","","101.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Li, Yong; Liu, Dong; Cheng, Zhongbin; Proksch, Peter; Lin, Wenhan","Cytotoxic trichothecene-type sesquiterpenes from the sponge-derived fungus Stachybotrys chartarum with tyrosine kinase inhibition","RSC Advances","2017","7","12","7259","","10.1039/C6RA26956G","","","1.5418","CuKα","","0.0386","0.0381","","","0.0973","0.098","","","","","","1.09","","","","has coordinates","235349","2020-10-21","18:00:00",""
"7236279","10.4204","0.0003","13.0839","0.0003","20.0354","0.0007","90","","90","","90","","2731.62","0.14","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38.5 O11.25 -","- C29 H38.5 O11.25 -","- C116 H154 O45 -","4","1","","Li, Yong; Liu, Dong; Cheng, Zhongbin; Proksch, Peter; Lin, Wenhan","Cytotoxic trichothecene-type sesquiterpenes from the sponge-derived fungus Stachybotrys chartarum with tyrosine kinase inhibition","RSC Advances","2017","7","12","7259","","10.1039/C6RA26956G","","","1.54184","CuKα","","0.0367","0.0351","","","0.0909","0.0925","","","","","","1.032","","","","has coordinates","235349","2020-10-21","18:00:00",""
"7236280","6.4486","0.0003","11.3707","0.001","17.7648","0.0015","90","","90","","90","","1302.61","0.17","98.8","","98.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Li, Yong; Liu, Dong; Cheng, Zhongbin; Proksch, Peter; Lin, Wenhan","Cytotoxic trichothecene-type sesquiterpenes from the sponge-derived fungus Stachybotrys chartarum with tyrosine kinase inhibition","RSC Advances","2017","7","12","7259","","10.1039/C6RA26956G","","","1.54184","CuKα","","0.0419","0.0404","","","0.1036","0.1049","","","","","","1.0502","","","","has coordinates","235349","2020-10-21","18:00:00",""
"7236366","9.3074","0.0019","10.844","0.002","18.529","0.004","90","","90","","90","","1870.1","0.7","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br F3 N2 O4 -","- C19 H16 Br F3 N2 O4 -","- C76 H64 Br4 F12 N8 O16 -","4","1","","Zhang, Man; Gao, Huiqi; Li, Chuan; Fu, Wei; Tang, Liwei; Zhou, Zhiming","Towards improved explosives with a high performance: N-(3,5-dinitro-1H-pyrazol-4-yl)-1H-tetrazol-5-amine and its salts","Journal of Materials Chemistry A","2017","5","4","1769","","10.1039/C6TA07740D","","","0.71073","MoKα","","0.0399","0.0366","","","0.1061","0.1263","","","","","","1.205","","","","has coordinates","235448","2020-10-21","18:00:00",""
"7236397","5.79","0.003","13.286","0.007","13.788","0.007","90","","90","","90","","1060.7","1","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 N6 O4 -","- C8 H6 N6 O4 -","- C32 H24 N24 O16 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","0.71073","MoKα","","0.0644","0.04","","","0.0789","0.0845","","","","","","1.019","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236404","7.2628","0.0003","10.5375","0.0004","13.5924","0.0005","90","","90","","90","","1040.25","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H3 N7 O6 -","- C7 H3 N7 O6 -","- C28 H12 N28 O24 -","4","1","","Kommu, Nagarjuna; Balaraju, M.; Ghule, Vikas D.; Sahoo, Akhila K.","Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies","Journal of Materials Chemistry A","2017","5","16","7366","","10.1039/C6TA10621H","","","1.54184","CuKα","","0.0524","0.0515","","","0.1542","0.1584","","","","","","1.097","","","","has coordinates","235480","2020-10-21","18:00:00",""
"7236421","7.589","0.002","9.368","0.003","28.167","0.008","90","","90","","90","","2002.5","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O -","- C25 H24 N2 O -","- C100 H96 N8 O4 -","4","1","","Ge, Xinping; Gan, Xiaoping; Yao, Shun; Wang, Kang; Zhu, Weiju; Yu, Jianhua; Wu, Jieying; Tian, Yupeng; Zhou, Hongping","Rationally designed two-photon absorption compounds based on benzoxazole derivatives: structure‒property relationships and bio-imaging applications","Journal of Materials Chemistry B","2016","4","16","2785","","10.1039/C6TB00201C","","","0.71073","MoKα","","0.1291","0.0829","","","0.2126","0.2426","","","","","","1.048","","","","has coordinates","235495","2020-10-21","18:00:00",""
"7236587","16.027","0.0006","18.4421","0.0007","32.2078","0.0017","90","","90","","90","","9519.7","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C88 H98 Co4 Fe4 N8 O33 -","- C88 H98 Co4 Fe4 N8 O33 -","- C352 H392 Co16 Fe16 N32 O132 -","4","1","","Rajak, Richa; Saraf, Mohit; Mohammad, Akbar; Mobin, Shaikh M.","Design and construction of a ferrocene based inclined polycatenated Co-MOF for supercapacitor and dye adsorption applications","Journal of Materials Chemistry A","2017","5","34","17998","","10.1039/C7TA03773B","","","1.54184","CuKα","","0.3072","0.1322","","","0.2743","0.3831","","","","","","0.965","","","","has coordinates","236331","2020-10-21","18:00:00",""
"7236657","5.2865","0.0007","8.718","0.0011","17.773","0.004","90","","90","","90","","819.1","0.2","180","0.1","180","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cu-(Gly-Thr)","","- C6 H10 Cu N2 O4 -","- C6 H10 Cu N2 O4 -","- C24 H40 Cu4 N8 O16 -","4","1","","Ma, Ning; Lin, Cong; Wu, Nian; Liu, Qi; Ma, Jia-Le; Meng, Wei; Wang, Xiao-Shuang; Zhang, Lu; Xu, Xiaohui; Zhao, Yifang; Zhuang, Lin; Fan, Jun; Sun, Junliang; Zhuo, Ren-Xi; Zhang, Xian-Zheng","Stomata-like metal peptide coordination polymer","Journal of Materials Chemistry A","2017","5","45","23440","","10.1039/C7TA08002F","","","0.7107","MoKα","","0.1317","0.1119","","","0.27","0.2811","","","","","","1.067","","","","has coordinates","236391","2020-10-21","18:00:00",""
"7236736","7.7123","0.0001","14.4156","0.0002","20.6891","0.0003","90","","90","","90","","2300.16","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","AF1","8-(2-chlorophenyl)-2-(2,6-dimethoxyphenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridine","","- C25 H21 Cl N2 O2 S2 -","- C25 H21 Cl N2 O2 S2 -","- C100 H84 Cl4 N8 O8 S8 -","4","1","","Huang, Manna; Ye, Shuxian; Xu, Ke; Zhou, Jie; Liu, Junliang; Zhu, Xinhai; Wan, Yiqian","Whole-rainbow-color organic solid fluorophores from subtle modification of thiazolo[5,4-b]thieno[3,2-e]pyridines (TTPs)","Journal of Materials Chemistry C","2017","5","14","3456","","10.1039/C7TC00513J","","","1.54178","CuKα","","0.0339","0.0324","","","0.0795","0.0811","","","","","","1.055","","","","has coordinates","236474","2020-10-21","18:00:00",""
"7236852","7.4049","0.0003","10.2673","0.0004","23.6399","0.0011","90","","90","","90","","1797.3","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 B10 -","- C17 H22 B10 -","- C68 H88 B40 -","4","1","","Naito, Hirofumi; Nishino, Kenta; Morisaki, Yasuhiro; Tanaka, Kazuo; Chujo, Yoshiki","Highly-efficient solid-state emissions of anthracene‒o-carborane dyads with various substituents and their thermochromic luminescence properties","Journal of Materials Chemistry C","2017","5","38","10047","","10.1039/C7TC02682J","","","0.71075","MoKα","","0.0399","0.0376","","","0.0956","0.097","","","","","","1.036","","","","has coordinates","236574","2020-10-21","18:00:00",""
"7236922","9.5781","0.0007","10.7829","0.0008","30.413","0.002","90","","90","","90","","3141","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H34 B10 -","- C34 H34 B10 -","- C136 H136 B40 -","4","1","","Li, Junfeng; Yang, Chenglong; Peng, Xuelei; Chen, Ying; Qi, Qi; Luo, Xiaoyan; Lai, Wen-Yong; Huang, Wei","Stimuli-responsive solid-state emission from o-carborane‒tetraphenylethene dyads induced by twisted intramolecular charge transfer in the crystalline state","Journal of Materials Chemistry C","2018","6","1","19","","10.1039/C7TC03780E","","","0.71073","MoKα","","0.0538","0.045","","","0.1273","0.1396","","","","","","0.97","","","","has coordinates","236637","2020-10-21","18:00:00",""
"7236947","8.94","0.007","16.574","0.014","12.013","0.01","90","","90","","90","","1780","3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H22 Cl6 N2 Zn -","- C8 H22 Cl6 N2 Zn -","- C32 H88 Cl24 N8 Zn4 -","4","1","","Liao, Wei-Qiang; Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Lu, Yang","Unusual two-step sequential reversible phase transitions with coexisting switchable nonlinear optical and dielectric behaviors in [(CH3)3NCH2Cl]2[ZnCl4]","Journal of Materials Chemistry C","2017","5","45","11873","","10.1039/C7TC04095D","","","0.71073","MoKα","","0.0602","0.0455","","","0.0656","0.0707","","","","","","0.96","","","","has coordinates","236660","2020-10-21","18:00:00",""
"7236972","8.273","0.0005","25.4125","0.0018","28.576","0.002","90","","90","","90","","6007.8","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Binol-CHO","","- C76 H2.5 O8 -","- C76 H58 O8 -","- C304 H232 O32 -","4","1","","Venkatakrishnarao, Dasari; Sahoo, Chakradhar; Mamonov, Evgeniy A.; Novikov, Vladimir B.; Mitetelo, Nikolai V.; Naraharisetty, Sri Ram G.; Murzina, Tatiana V.; Chandrasekar, Rajadurai","Chiral organic photonics: self-assembled micro-resonators for an enhanced circular dichroism effect in the non-linear optical signal","Journal of Materials Chemistry C","2017","5","47","12349","","10.1039/C7TC04621A","","","0.71073","MoKα","","0.1661","0.0787","","","0.2015","0.2454","","","","","","1.014","","","","has coordinates","236679","2020-10-21","18:00:00",""
"7236994","10.651","0.007","7.572","0.002","26.926","0.007","90","","90","","90","","2171.6","1.6","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 Cl4 N2 O2 Zn -","- C16 H24 Cl4 N2 O2 Zn -","- C64 H96 Cl16 N8 O8 Zn4 -","4","1","","Mezzadri, F.; Mahbouli Rhouma, N.; Delmonte, D.; Cabassi, R.; Loukil, M.; Calestani, G.","Phase equilibria in metastable regime in the (C8H12NO)2[ZnCl4] ferroelectric system","Journal of Materials Chemistry C","2018","6","5","1057","","10.1039/C7TC04802E","","","0.71073","MoKα","","0.1558","0.1502","","","0.456","0.4611","","","","","","2.144","","","","has coordinates,has disorder","236698","2020-10-21","18:00:00",""
"7237026","6.2517","0.0005","7.3716","0.0005","26.471","0.002","90","","90","","90","","1219.92","0.16","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H6 F4 O4 S -","- C13 H6 F4 O4 S -","- C52 H24 F16 O16 S4 -","4","1","","Krompiec, Michal P.; Baxter, Sean N.; Klimareva, Elena L.; Yufit, Dmitry S.; Congrave, Daniel G.; Britten, Thomas K.; Perepichka, Igor F.","3,4-Phenylenedioxythiophenes (PheDOTs) functionalized with electron-withdrawing groups and their analogs for organic electronics","Journal of Materials Chemistry C","2018","6","14","3743","","10.1039/C7TC05227H","","x-ray","0.71073","MoKα","","0.0279","0.0259","","","0.0677","0.069","","","","","","1.071","","","","has coordinates","236725","2020-10-21","18:00:00",""
"7237066","13.2825","0.0007","16.7322","0.001","17.9666","0.0011","90","","90","","90","","3993","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H38 Mn2 N8 O10 -","- C44 H38 Mn2 N8 O10 -","- C176 H152 Mn8 N32 O40 -","4","1","","Su, Feng; Zhou, Cheng-Yong; Han, Chun; Wu, Lin-Tao; Wu, Xi; Sun, Long; Su, Jing; Feng, Si-Si; Lu, Li-Ping; Zhu, Miao-Li","Binuclear Mn2+ complexes of a biphenyltetracarboxylic acid with variable N-donor ligands: syntheses, structures, and magnetic properties","CrystEngComm","2018","20","13","1818","","10.1039/C8CE00058A","","","0.71073","MoKα","","0.1849","0.0684","","","0.0788","0.1016","","","","","","1","","","","has coordinates","236787","2020-10-21","18:00:00",""
"7237170","5.0889","0.0003","6.5662","0.0005","11.1652","0.0008","90","","90","","90","","373.08","0.04","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1-amino-5H-tetrazole","1-amino-5H-tetrazole","","- C H3 N5 -","- C H3 N5 -","- C4 H12 N20 -","4","1","","Szimhardt, Norbert; Wurzenberger, Maximilian H. H.; Zeisel, Lukas; Gruhne, Michael S.; Lommel, Marcus; Stierstorfer, Jörg","Maximization of the energy capability level in transition metal complexes through application of 1-amino- and 2-amino-5H-tetrazole ligands","Journal of Materials Chemistry A","2018","6","33","16257","","10.1039/C8TA06326E","","x-ray","0.71073","MoKα","","0.0226","0.0208","","","0.0494","0.0504","","","","","","1.133","","","","has coordinates","237469","2020-10-21","18:00:00",""
"7237190","3.6798","0.0004","10.3754","0.001","18.1767","0.0018","90","","90","","90","","693.98","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H4 N4 O2 -","- C6 H4 N4 O2 -","- C24 H16 N16 O8 -","4","1","","Dalinger, Igor L.; Serushkina, Olga V.; Muravyev, Nikita V.; Meerov, Dmitry B.; Miroshnichenko, Evgeniy A.; Kon'kova, Tatyana S.; Suponitsky, Kyrill Yu.; Vener, Mikhail V.; Sheremetev, Aleksei B.","Azasydnone ‒ novel “green” building block for designing high energetic compounds","Journal of Materials Chemistry A","2018","6","38","18669","","10.1039/C8TA06895J","","","0.71073","MoKα","","0.0395","0.0333","","","0.0833","0.0875","","","","","","1.052","","","","has coordinates","237472","2020-10-21","18:00:00",""
"7237250","5.4485","0.0003","12.4239","0.0009","16.6464","0.0011","90","","90","","90","","1126.82","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-PheC1Cl","","- C10 H14 Cl N O2 -","- C10 H14 Cl N O2 -","- C40 H56 Cl4 N4 O8 -","4","1","","Zhang, Lei; Yuan, Wen-Li; Zhang, Zhang; Zhang, Guo-Hao; Chen, Hao; Zhao, Nanrong; He, Ling; Tao, Guo-Hong","Self-assembled ionic nanofibers derived from amino acids for high-performance particulate matter removal","Journal of Materials Chemistry A","2019","7","9","4619","","10.1039/C8TA11382C","","x-ray","0.71073","MoKα","","0.0542","0.04","","","0.0677","0.0748","","","","","","1.04","","","","has coordinates","237525","2020-10-21","18:00:00",""
"7237251","5.4456","0.0004","12.4023","0.0013","16.6206","0.0014","90","","90","","90","","1122.52","0.17","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","D-PheC1Cl","","- C10 H14 Cl N O2 -","- C10 H14 Cl N O2 -","- C40 H56 Cl4 N4 O8 -","4","1","","Zhang, Lei; Yuan, Wen-Li; Zhang, Zhang; Zhang, Guo-Hao; Chen, Hao; Zhao, Nanrong; He, Ling; Tao, Guo-Hong","Self-assembled ionic nanofibers derived from amino acids for high-performance particulate matter removal","Journal of Materials Chemistry A","2019","7","9","4619","","10.1039/C8TA11382C","","x-ray","0.71073","MoKα","","0.0944","0.0776","","","0.1819","0.2067","","","","","","1.071","","","","has coordinates","237525","2020-10-21","18:00:00",""
"7237263","11.7124","0.0004","22.5365","0.0007","24.352","0.0007","90","","90","","90","","6427.9","0.3","293.7","0.4","293.7","0.4","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C84 H54 O15 -","- C84 H54 O15 -","- C336 H216 O60 -","4","1","","Shi, Lei; Li, Kun; Cui, Peng-Cheng; Li, Ling-Ling; Pan, Sheng-Lin; Li, Meng-Yang; Yu, Xiao-Qi","BINOL derivatives with aggression-induced emission","Journal of Materials Chemistry B","2018","6","27","4413","","10.1039/C8TB00774H","","x-ray","1.54184","CuKα","","0.0615","0.0512","","","0.1374","0.1481","","","","","","1.022","","","","has coordinates","237536","2020-10-21","18:00:00",""
"7237282","6.6762","0.0001","12.7767","0.0002","18.3011","0.0003","90","","90","","90","","1561.08","0.04","205","2","205","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N4 O7 -","- C13 H18 N4 O7 -","- C52 H72 N16 O28 -","4","1","","Tao, Kewen; Wu, Zhenyue; Han, Shiguo; Zhang, Jing; Ji, Chengmin; Wang, Yuyin; Zhang, Weichuan; Luo, Junhua; Sun, Zhihua","Switchable behaviors of quadratic nonlinear optical properties originating from bi-step phase transitions in a molecule-based crystal","Journal of Materials Chemistry C","2018","6","15","4150","","10.1039/C8TC00407B","","","1.54184","CuKα","","0.0338","0.0319","","","0.0842","0.0857","","","","","","1.045","","","","has coordinates","237555","2020-10-21","18:00:00",""
"7237313","5.9285","0.0003","14.3929","0.0008","15.8658","0.0008","90","","90","","90","","1353.8","0.12","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 Cl4 N2 O Pb -","- C5 H15 Cl4 N2 O Pb -","- C20 H60 Cl16 N8 O4 Pb4 -","4","1","","Peng, Yu; Yao, Yunpeng; Li, Lina; Wu, Zhenyue; Wang, Sasa; Luo, Junhua","White-light emission in a chiral one-dimensional organic‒inorganic hybrid perovskite","Journal of Materials Chemistry C","2018","6","22","6033","","10.1039/C8TC01150H","","","0.71073","MoKα","","0.0392","0.0355","","","0.0849","0.0868","","","","","","1.081","","","","has coordinates","237586","2020-10-21","18:00:00",""
"7237350","9.994","0.006","10.816","0.004","21.367","0.015","90","","90","","90","","2310","2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","(S,S)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","","- C15 H32 B10 N2 O4 -","- C15 H32 B10 N2 O4 -","- C60 H128 B40 N8 O16 -","4","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0525","0.0404","","","0.0839","0.0857","","","","","","1.005","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237353","9.797","0.005","10.754","0.004","27.432","0.013","90","","90","","90","","2890","2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","(S,R)-tert-Butyl N-(3-acetamido-1,2-dicarba-closo-dodecaboran-1-yl)acetylphenylalaninate","","- C20 H38 B10 N2 O5 -","- C20 H38 B10 N2 O5 -","- C80 H152 B40 N8 O20 -","4","1","","Gruzdev, Dmitry A.; Nuraeva, Alla S.; Slepukhin, Pavel A.; Levit, Galina L.; Zelenovskiy, Pavel S.; Shur, Vladimir Ya.; Krasnov, Victor P.","Piezoactive amino acid derivatives containing fragments of planar-chiral ortho-carboranes","Journal of Materials Chemistry C","2018","6","32","8638","","10.1039/C8TC02266F","","","1.54184","CuKα","","0.0469","0.0428","","","0.0973","0.0987","","","","","","1.007","","","","has coordinates","237620","2020-10-21","18:00:00",""
"7237405","14.0146","0.0002","7.1563","0.0001","16.2662","0.0002","90","","90","","90","","1631.38","0.04","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H16 Bi Br6 N3 -","- C4 H16 Bi Br6 N3 -","- C16 H64 Bi4 Br24 N12 -","4","1","","Wu, Zhenyue; Liu, Xitao; Ji, Chengmin; Li, Lina; Wang, Sasa; Sun, Zhihua; Zhang, Weichuan; Peng, Yu; Luo, Junhua","Above-room-temperature switching of quadratic nonlinear optical properties in a Bi‒halide organic‒inorganic hybrid","Journal of Materials Chemistry C","2018","6","35","9532","","10.1039/C8TC02791A","","","0.71073","MoKα","","0.0459","0.0396","","","0.1077","0.1121","","","","","","1.028","","","","has coordinates","237653","2020-10-21","18:00:00",""
"7237520","14.458","0.004","15.043","0.004","16.466","0.005","90","","90","","90","","3581.2","1.8","153","","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H28 F6 Ir N8 P -","- C38 H28 F6 Ir N8 P -","- C152 H112 F24 Ir4 N32 P4 -","4","1","","Wang, Yue; Yang, Tianzhi; Liu, Xingman; Li, Guangfu; Che, Weilong; Zhu, Dongxia; Su, Zhongmin","New cationic Ir(iii) complexes without “any soft substituents”: aggregation-induced emission and piezochromic luminescence","Journal of Materials Chemistry C","2018","6","45","12217","","10.1039/C8TC04512G","","","0.71069","MoKα","","0.063","0.053","","","0.1393","0.1493","","","","","","1.059","","","","has coordinates","237742","2020-10-21","18:00:00",""
"7237544","10.2584","0.0004","16.0405","0.0005","18.8625","0.0008","90","","90","","90","","3103.8","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 F6 N3 O4 S2 -","- C29 H33 F6 N3 O4 S2 -","- C116 H132 F24 N12 O16 S8 -","4","1","","Gesevičius, Donatas; Neels, Antonia; Duchêne, Léo; Hack, Erwin; Heier, Jakob; Nüesch, Frank","Physical vapour deposition of cyanine salts and their first application in organic electronic devices","Journal of Materials Chemistry C","2019","7","2","414","","10.1039/C8TC05286G","","","0.71073","MoKα","","0.0434","0.0387","","","0.1007","0.1072","","","","","","1.062","","","","has coordinates,has disorder","237760","2020-10-21","18:00:00",""
"7237545","7.5411","0.0003","14.0447","0.0005","22.0416","0.0009","90","","90","","90","","2334.48","0.16","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-phenyl-3-thienyl)tetrafluorobenzene","","- C28 H18 F4 S2 -","- C28 H18 F4 S2 -","- C112 H72 F16 S8 -","4","1","","Kitagawa, Daichi; Nakahama, Tatsumoto; Nakai, Yoshihiro; Kobatake, Seiya","1,2-Diarylbenzene as fast T-type photochromic switch","Journal of Materials Chemistry C","2019","7","10","2865","","10.1039/C8TC05357J","","","0.71075","MoKα","","0.0406","0.0372","","","0.0875","0.0909","","","","","","1.066","","","","has coordinates","237761","2020-10-21","18:00:00",""
"7237597","9.3757","0.0005","9.533","0.0006","28.1021","0.0018","90","","90","","90","","2511.7","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H23 N3 O S -","- C33 H23 N3 O S -","- C132 H92 N12 O4 S4 -","4","1","","Peng, Zhixing; Zhang, Kang; Huang, Zongwei; Wang, Zaibin; Duttwyler, Simon; Wang, Yanguang; Lu, Ping","Emissions from a triphenylamine‒benzothiadiazole‒monocarbaborane triad and its applications as a fluorescent chemosensor and a white OLED component","Journal of Materials Chemistry C","2019","7","8","2430","","10.1039/C8TC06176A","","","0.71073","MoKα","","0.0486","0.039","","","0.0847","0.0906","","","","","","1.036","","","","has coordinates","237791","2020-10-21","18:00:00",""
"7237608","11.757","0.002","12.113","0.002","22.483","0.005","90","","90","","90","","3201.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H34 Br2 N4 O3 -","- C35 H34 Br2 N4 O3 -","- C140 H136 Br8 N16 O12 -","4","1","","Jiang, Daoyong; Xue, Xingying; Zhang, Guoning; Wang, Yucheng; Zhang, Han; Feng, Chao; Wang, Zhifei; Zhao, Hong","Simple and efficient rhodamine-derived VO2+ and Cu2±responsive colorimetric and reversible fluorescent chemosensors toward the design of multifunctional materials","Journal of Materials Chemistry C","2019","7","12","3576","","10.1039/C8TC06296J","","","0.71073","MoKα","","0.0955","0.0628","","","0.1256","0.1408","","","","","","1.041","","","","has coordinates","237800","2020-10-21","18:00:00",""
"7237615","7.8705","0.0003","13.512","0.0006","19.4137","0.001","90","","90","","90","","2064.57","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 B F2 N2 -","- C22 H25 B F2 N2 -","- C88 H100 B4 F8 N8 -","4","1","","Duan, Chong; Zhou, Yibin; Shan, Guo-Gang; Chen, Yuncong; Zhao, Weijun; Yuan, Dandan; Zeng, Lintao; Huang, Xiaobo; Niu, Guangle","Bright solid-state red-emissive BODIPYs: facile synthesis and their high-contrast mechanochromic properties","Journal of Materials Chemistry C","2019","7","12","3471","","10.1039/C8TC06421K","","","0.71073","MoKα","","0.0513","0.0388","","","0.0896","0.0983","","","","","","1.056","","","","has coordinates","237807","2020-10-21","18:00:00",""
"7237618","14.031","0.003","15.207","0.003","26.212","0.006","90","","90","","90","","5593","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 B F2 N2 -","- C20 H21 B F2 N2 -","- C240 H252 B12 F24 N24 -","12","3","","Duan, Chong; Zhou, Yibin; Shan, Guo-Gang; Chen, Yuncong; Zhao, Weijun; Yuan, Dandan; Zeng, Lintao; Huang, Xiaobo; Niu, Guangle","Bright solid-state red-emissive BODIPYs: facile synthesis and their high-contrast mechanochromic properties","Journal of Materials Chemistry C","2019","7","12","3471","","10.1039/C8TC06421K","","","0.71073","MoKα","","0.1945","0.1362","","","0.3491","0.392","","","","","","1.315","","","","has coordinates","237807","2020-10-21","18:00:00",""
"7237656","5.5258","0.0004","6.7155","0.0005","18.0885","0.0014","90","","90","","90","","671.24","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H2 N10 -","- C3 H2 N10 -","- C12 H8 N40 -","4","1","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0356","0.0296","","","0.0726","0.0754","","","","","","1.057","","","","has coordinates","238474","2020-10-21","18:00:00",""
"7237692","8.6297","0.0003","15.3157","0.0005","18.4968","0.0006","90","","90","","90","","2444.72","0.14","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 Cl2 Ir N2 O3 Si -","- C20 H35 Cl2 Ir N2 O3 Si -","- C80 H140 Cl8 Ir4 N8 O12 Si4 -","4","1","","Yan, Ning; Detz, Remko J.; Govindarajan, Nitish; Koelewijn, Jacobus M.; Hua, Bin; Li, Peng; Meijer, Evert Jan; Reek, Joost N. H.","Selective surface functionalization generating site-isolated Ir on a MnOx/N-doped carbon composite for robust electrocatalytic water oxidation","Journal of Materials Chemistry A","2019","7","40","23098","","10.1039/C9TA08447A","","","0.71073","MoKα","","0.0143","0.0129","","","0.0306","0.0313","","","","","","1.084","","","","has coordinates","238528","2020-10-21","18:00:00",""
"7237695","7.863","0.002","12.769","0.004","16.939","0.005","90","","90","","90","","1700.7","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 B F2 N2 O -","- C18 H21 B F2 N2 O -","- C72 H84 B4 F8 N8 O4 -","4","1","","Shao, Tao; Liu, Tianyan; Liu, Hui; Zhang, Mingzhu; Shen, Yu; Gao, Awei; Tian, Xiaohe; Zhang, Qiong; Wu, Jieying; Tian, Yupeng","Identification of fatty liver disease at diverse stages using two-photon absorption of triphenylamine-based BODIPY analogues","Journal of Materials Chemistry B","2019","7","23","3704","","10.1039/C9TB00421A","","","0.71073","MoKα","","0.0463","0.0356","","","0.0796","0.0831","","","","","","1.201","","","","has coordinates","238536","2020-10-21","18:00:00",""
"7237741","9.0322","0.0001","12.2675","0.0001","25.1471","0.0004","90","","90","","90","","2786.36","0.06","169.99","0.1","169.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 N4 -","- C38 H32 N4 -","- C152 H128 N16 -","4","1","","Chen, Cheng; Lu, Hai-Yan; Wang, Yin-Feng; Li, Meng; Shen, Yi-Fan; Chen, Chuan-Feng","Naphthyridine-based thermally activated delayed fluorescence emitters for multi-color organic light-emitting diodes with low efficiency roll-off","Journal of Materials Chemistry C","2019","7","16","4673","","10.1039/C9TC00503J","","x-ray","1.54184","CuKα","","0.0408","0.0357","","","0.09","0.0973","","","","","","1.074","","","","has coordinates","238575","2020-10-21","18:00:00",""
"7237751","8.6227","0.0005","27.0625","0.00012","15.4303","0.0007","90","","90","","90","","3600.7","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H12 Cl4 Mn N6 -","- C2 H12 Cl4 Mn N6 -","- C24 H144 Cl48 Mn12 N72 -","12","3","","Sen, Abhijit; Swain, Diptikanta; Guru Row, Tayur N.; Sundaresan, A.","Unprecedented 30 K hysteresis across switchable dielectric and magnetic properties in a bright luminescent organic‒inorganic halide (CH6N3)2MnCl4","Journal of Materials Chemistry C","2019","7","16","4838","","10.1039/C9TC00663J","","","0.71073","MoKα","","0.0976","0.0753","","","0.1589","0.1812","","","","","","1.038","","","","has coordinates","238582","2020-10-21","18:00:00",""
"7237800","3.9406","0.0001","19.7156","0.0005","30.0106","0.0011","90","","90","","90","","2331.56","0.12","173","2","173.15","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Liu, Dan; Li, Chenguang; Niu, Shujie; Li, Yang; Hu, Mengxiao; Li, Qingyuan; Zhu, Weigang; Zhang, Xiaotao; Dong, Huanli; Hu, Wenping","A case study of tuning the crystal polymorphs of organic semiconductors towards simultaneously improved light emission and field-effect properties","Journal of Materials Chemistry C","2019","7","20","5925","","10.1039/C9TC01321K","","","0.71073","MoKα","","0.0553","0.0412","","","0.0964","0.1027","","","","","","1.082","","","","has coordinates","238618","2020-10-21","18:00:00",""
"7237821","10.6483","0.0005","13.2218","0.0006","22.2843","0.0009","90","","90","","90","","3137.4","0.2","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 Cl2 N6 O2 -","- C33 H32 Cl2 N6 O2 -","- C132 H128 Cl8 N24 O8 -","4","1","","Sudhakar, Pagidi; Radhakrishnan, T. P.","Stimuli responsive and reversible crystalline‒amorphous transformation in a molecular solid: fluorescence switching and enhanced phosphorescence in the amorphous state","Journal of Materials Chemistry C","2019","7","23","7083","","10.1039/C9TC01600G","","","0.71073","MoKα","","0.107","0.0708","","","0.1875","0.2068","","","","","","1.035","","","","has coordinates","238639","2020-10-21","18:00:00",""
"7237822","9.116","0.002","12.611","0.003","34.215","0.008","90","","90","","90","","3933.4","1.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3.15 H2.35 N0.24 O0.12 -","- C3.15152 H2.34424 N0.242424 O0.121212 -","- C208 H154.72 N16 O8 -","66","16.5","","Wu, Zheng-Guang; Yan, Zhi-Ping; Luo, Xu-Feng; Yuan, Li; Liang, Wei-Qiu; Wang, Yi; Zheng, You-Xuan; Zuo, Jing-Lin; Pan, Yi","Non-doped and doped circularly polarized organic light-emitting diodes with high performances based on chiral octahydro-binaphthyl delayed fluorescent luminophores","Journal of Materials Chemistry C","2019","7","23","7045","","10.1039/C9TC01632E","","","0.71073","MoKα","","0.1232","0.0716","","","0.1527","0.1813","","","","","","1.021","","","","has coordinates,has disorder","238641","2020-10-21","18:00:00",""
"7237823","9.1408","0.0007","12.6631","0.0009","34.54","0.002","90","","90","","90","","3998","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4.62 H3.41 N0.36 O0.18 -","- C4.62222 H3.41404 N0.355556 O0.177778 -","- C208 H153.632 N16 O8 -","45","11.25","","Wu, Zheng-Guang; Yan, Zhi-Ping; Luo, Xu-Feng; Yuan, Li; Liang, Wei-Qiu; Wang, Yi; Zheng, You-Xuan; Zuo, Jing-Lin; Pan, Yi","Non-doped and doped circularly polarized organic light-emitting diodes with high performances based on chiral octahydro-binaphthyl delayed fluorescent luminophores","Journal of Materials Chemistry C","2019","7","23","7045","","10.1039/C9TC01632E","","","0.71073","MoKα","","0.1405","0.0572","","","0.1216","0.164","","","","","","0.98","","","","has coordinates,has disorder","238641","2020-10-21","18:00:00",""
"7237831","4.9797","0.0004","11.2729","0.0011","27.335","0.003","90","","90","","90","","1534.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N3 O6 Zn -","- C16 H13 N3 O6 Zn -","- C64 H52 N12 O24 Zn4 -","4","1","","Zhang, Yu-Xiao; Li, Bing-Xuan; Lin, Hua; Ma, Zuju; Wu, Xin-Tao; Zhu, Qi-Long","Impressive second harmonic generation response in a novel phase-matchable NLO-active MOF derived from achiral precursors","Journal of Materials Chemistry C","2019","7","21","6217","","10.1039/C9TC01867K","","","0.71073","MoKα","","0.0599","0.0414","","","0.0668","0.0735","","","","","","0.88","","","","has coordinates","238649","2020-10-21","18:00:00",""
"7237940","8.5","0.0002","13.4458","0.0004","14.1302","0.0005","90","","90","","90","","1614.93","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DMAPbCl3D - T100K","","","- C4 H16 Cl6 N2 Pb2 -","- C4 H16 Cl6 N2 Pb2 -","- C16 H64 Cl24 N8 Pb8 -","4","1","","García-Fernández, Alberto; Juarez-Perez, Emilio Jose; Bermúdez-García, Juan Manuel; Llamas-Saiz, Antonio Luis; Artiaga, Ramón; López-Beceiro, Jorge Jose; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Castro-García, Socorro","Hybrid lead halide [(CH3)2NH2]PbX3 (X = Cl− and Br−) hexagonal perovskites with multiple functional properties","Journal of Materials Chemistry C","2019","7","32","10008","","10.1039/C9TC03543E","","","0.71073","MoKα","","0.0511","0.0426","","","0.1097","0.1142","","","","","","1.028","","","","has coordinates","238763","2020-10-21","18:00:00",""
"7237941","8.7631","0.0004","13.9568","0.0006","14.711","0.0007","90","","90","","90","","1799.23","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DMAPbBr_B - 6_T100K","","","- C4 H16 Br6 N2 Pb2 -","- C4 H16 Br6 N2 Pb2 -","- C16 H64 Br24 N8 Pb8 -","4","1","","García-Fernández, Alberto; Juarez-Perez, Emilio Jose; Bermúdez-García, Juan Manuel; Llamas-Saiz, Antonio Luis; Artiaga, Ramón; López-Beceiro, Jorge Jose; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Castro-García, Socorro","Hybrid lead halide [(CH3)2NH2]PbX3 (X = Cl− and Br−) hexagonal perovskites with multiple functional properties","Journal of Materials Chemistry C","2019","7","32","10008","","10.1039/C9TC03543E","","","0.71073","MoKα","","0.136","0.0979","","","0.2229","0.2577","","","","","","1.027","","","","has coordinates","238763","2020-10-21","18:00:00",""
"7237953","5.0685","0.0013","12.33","0.003","34.435","0.009","90","","90","","90","","2152","0.9","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1M","","","- C31 H19 N O -","- C31 H19 N O -","- C124 H76 N4 O4 -","4","1","","Zhang, Junying; Tang, Shao-Xiong; Fu, Rong; Xu, Xing-Dong; Feng, Shengyu","Aggregation-induced photodimerization of an alkynylpyrene derivative as a photoresponsive fluorescent ink","Journal of Materials Chemistry C","2019","7","44","13786","","10.1039/C9TC03786A","","","0.71","MoKα","","0.0597","0.038","","","0.0773","0.0876","","","","","","1.035","","","","has coordinates","238781","2020-10-21","18:00:00",""
"7237980","8.224","0.0002","12.4006","0.0003","13.2719","0.0003","90","","90","","90","","1353.5","0.06","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C40 H40 S24 -","4","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0238","0.0223","","","0.0553","0.0562","","","","","","1.021","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237983","8.2254","0.0002","12.4077","0.0002","13.2789","0.0003","90","","90","","90","","1355.22","0.05","153.26","0.1","153.26","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C40 H40 S24 -","4","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0238","0.0227","","","0.0585","0.0589","","","","","","1.063","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7238013","4.1712","0.0003","6.1807","0.0004","43.775","0.003","90","","90","","90","","1128.56","0.13","289","2","289","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-iodo-9H-thioxanthen-9-one","","- C13 H7 I O S -","- C52 H28 I4 O4 S4 -","- C52 H28 I4 O4 S4 -","1","0.25","","Wen, Yating; Liu, Haichao; Zhang, Shitong; Gao, Yu; Yan, Yan; Yang, Bing","One-dimensional π‒π stacking induces highly efficient pure organic room-temperature phosphorescence and ternary-emission single-molecule white light","Journal of Materials Chemistry C","2019","7","40","12502","","10.1039/C9TC04580E","","","1.54178","CuKα","","0.0647","0.0599","","","0.1506","0.154","","","","","","1.043","","","","has coordinates","238834","2020-10-21","18:00:00",""
"7238022","8.5922","0.0008","16.4651","0.0018","23.2456","0.0018","90","","90","","90","","3288.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 N2 O2 S -","- C42 H36 N2 O2 S -","- C168 H144 N8 O8 S4 -","4","1","","Zhan, Lisi; Xiang, Yepeng; Chen, Zhanxiang; Wu, Kailong; Gong, Shaolong; Xie, Guohua; Yang, Chuluo","Fine-tuning the photophysical properties of thermally activated delayed fluorescent emitters using torsion angles: high performance sky-blue OLEDs","Journal of Materials Chemistry C","2019","7","44","13953","","10.1039/C9TC04804A","","x-ray","0.71073","MoKα","","0.081","0.0605","","","0.1156","0.1298","","","","","","1.003","","","","has coordinates","238845","2020-10-21","18:00:00",""
"7238044","7.594","0.0003","8.6265","0.0005","13.3619","0.0006","90","","90","","90","","875.33","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid","Ectoine dihydrate","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.54178","CuKα","","0.0278","0.0278","","","0.0751","0.0751","","","","","","1.104","","","","has coordinates","257471","2020-10-21","18:00:00",""
"7238045","7.594","0.0003","8.6265","0.0005","13.3619","0.0006","90","","90","","90","","875.33","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ectoine","1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C24 H56 N8 O16 -","4","1","","Hützler, Wilhelm Maximilian; Mossou, Estelle; Vollrath, Ronnald; Kohagen, Miriam; El Ghrissi, Imadine; Grininger, Martin; Zaccai, Giuseppe; Smiatek, Jens; Oesterhelt, Dieter","Complex transitions between dihydrate and anhydrate forms of ectoine ‒ unexpected behavior of a highly hygroscopic compatible solute in the solid state","CrystEngComm","2020","22","2","169","172","10.1039/C9CE01599J","","","1.1698","neutrons","","0.0327","0.0317","","","0.08","0.0806","","","","","","1.146","","","","has coordinates,has disorder","257471","2020-10-21","18:00:00",""
"7238051","12.717","0.003","16.73","0.003","27.427","0.006","90","","90","","90","","5835","2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H24 N7 O12 Zn2 -","- C31 H22 N7 O12 Zn2 -","- C124 H88 N28 O48 Zn8 -","4","1","","Di, Ling; Xia, Zhengqiang; Li, Jian; Geng, Zhongxing; Li, Chun; Xing, Yang; Yang, Zhanxu","Selective sensing and visualization of pesticides by ABW-type metal‒organic framework based luminescent sensors","RSC Advances","2019","9","66","38469","","10.1039/C9RA08940C","","","0.71073","MoKα","","0.0722","0.0667","","","0.186","0.1896","","","","","","1.063","","","","has coordinates","242921","2020-10-21","18:00:00",""
"7238062","10.398","0.002","12.551","0.003","13.766","0.005","90","","90","","90","","1796.5","0.9","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Cl N3 O2 Ru S -","- C15 H22 Cl N3 O2 Ru S -","- C60 H88 Cl4 N12 O8 Ru4 S4 -","4","1","","Namiecińska, Ewelina; Sadowska, Beata; Więckowska-Szakiel, Marzena; Dołęga, Anna; Pasternak, Beata; Grazul, Magdalena; Budzisz, Elzbieta","Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization","RSC Advances","2019","9","66","38629","","10.1039/C9RA08736B","","x-ray","0.71073","MoKα","","0.0655","0.0441","","","0.0829","0.0906","","","","","","1.037","","","","has coordinates","243811","2020-10-21","18:00:00",""
"7238072","7.884","0.0005","12.514","0.001","14.297","0.001","90","0","90","0","90","0","1410.55","0.17","298","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R^*^,1'S^*^)-2-(1'-hydroxy-1',2'-dihydrobenzocyclobuten-1'-yl)-2,4-dimethyl- pentan-3-ol","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","","Kawata, Etsuya; Saito, Masaichi; Yoshioka, Michikazu","Thermal reaction of diastereomeric benzocyclobutenols. Evidence for reversible opening of 1,2-dihydrobenzocyclobutenols to hydroxy-o-xylylenes","Journal of the Chemical Society, Perkin Transactions 1","2000","","6","1015","","10.1039/a908326j","","","0.71073","MoKa","","","0.049","","","","0.062","","","","","","1.276","","","","has coordinates","243864","2020-10-21","18:00:00",""
"7238142","4.5023","0.0004","8.5886","0.0008","21.297","0.002","90","","90","","90","","823.52","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,6-dimethyl-N-phenylformamide","","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0348","0.031","","","0.1001","0.1074","","","","","","0.664","","","","has coordinates","244078","2020-10-21","18:00:00",""
"7238206","13.188","0.003","14.799","0.003","18.574","0.004","90","","90","","90","","3625.1","1.4","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","DIPZ+Br","","","- C40 H50 Br N5 -","- C40 H50 Br N5 -","- C160 H200 Br4 N20 -","4","1","","Wang, Ting; Wang, He-Fang; Yan, Xiu-Ping","Fabrication of anion complexes from 5,6-dihydrodiindolo[3,2-a:2′,3′-c]phenazine as a building block","CrystEngComm","2010","12","10","3177","","10.1039/b927229a","","","0.71073","MoKα","","0.1193","0.0752","","","0.1594","0.1833","","","","","","0.986","","","","has coordinates,has disorder","244088","2020-10-21","18:00:00",""
"7238305","4.8532","0.0006","13.938","0.0018","21.639","0.003","90","","90","","90","","1463.7","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N2 O6 S2 Zn -","- C12 H10 N2 O6 S2 Zn -","- C48 H40 N8 O24 S8 Zn4 -","4","1","","Zhang, Ya-Nan; Wang, Yao-Yu; Hou, Lei; Liu, Ping; Liu, Jian-Qiang; Shi, Qi-Zhen","A series of metal‒organic coordination polymers assembled with disulfide ligand involving in situ cleavage of S‒S under co-ligand intervention","CrystEngComm","2010","12","11","3840","","10.1039/c005228k","","","0.71073","MoKα","","0.0382","0.0299","","","0.0704","0.0737","","","","","","0.884","","","","has coordinates","244109","2020-10-21","18:00:00",""
"7238385","5.0573","0.0013","14.471","0.004","31.891","0.009","90","","90","","90","","2333.9","1.1","293","2","123.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","C30H28N2F2","C30H28N2F2","","- C30 H28 F2 N2 -","- C30 H28 F2 N2 -","- C120 H112 F8 N8 -","4","1","","Seo, Hoe-Joo; Song, Myungkwan; Jin, Sung-Ho; Choi, Jung Hei; Yun, Seong-Jae; Kim, Young-Inn","Blue phosphorescent iridium(iii) complexes containing carbazole-functionalized phenylpyridine for organic light-emitting diodes: energy transfer from carbazolyl moieties to iridium(iii) cores","RSC Advances","2011","1","5","755","","10.1039/c1ra00140j","","","0.71073","MoKα","","0.036","0.0335","","","0.0784","0.0802","","","","","","1.082","","","","has coordinates","244156","2020-10-21","18:00:00",""
"7238399","5.7762","0.0008","9.6032","0.0013","28.672","0.004","90","","90","","90","","1590.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl2 N2 O4 -","- C13 H15 Cl2 N2 O4 -","- C52 H60 Cl8 N8 O16 -","4","1","","Mei, Haibo; Han, Jianlin; Li, Guigen; Pan, Yi","KOH-catalyzed highly efficient aminohalogenation of β-nitrostyrenes with t-butyl N,N-dichlorocarbamate as nitrogen/halogen source","RSC Advances","2011","1","3","429","","10.1039/c1ra00174d","","","0.71073","MoKα","","0.0546","0.0517","","","0.1346","0.1374","","","","","","1.079","","","","has coordinates","244159","2020-10-21","18:00:00",""
"7238410","8.14","0.002","8.211","0.002","18.95","0.003","90","","90","","90","","1266.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(1<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-5-iodo-4-isopropyl -1-methyl-7-oxabicyclo[4.3.0]nonan-8-one","","- C12 H19 I O2 -","- C12 H19 I O2 -","- C48 H76 I4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0171","0.0166","","","0.0419","0.042","","","","","","1.089","","","","has coordinates","244165","2020-10-21","18:00:00",""
"7238411","8.14","0.002","8.21","0.002","18.954","0.003","90","","90","","90","","1266.7","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-(1<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-5-iodo-4-isopropyl -1-methyl-7-oxabicyclo[4.3.0]nonan-8-one","","- C12 H19 I O2 -","- C12 H19 I O2 -","- C48 H76 I4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0157","0.0154","","","0.038","0.0381","","","","","","1.09","","","","has coordinates","244165","2020-10-21","18:00:00",""
"7238413","7.951","0.002","8.165","0.002","19.191","0.003","90","","90","","90","","1245.9","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(1<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-5-bromo-4-isopropyl -1-methyl-7-oxabicyclo[4.3.0]nonan-8-one","","- C12 H19 Br O2 -","- C12 H19 Br O2 -","- C48 H76 Br4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.027","0.0239","","","0.0565","0.0573","","","","","","1.024","","","","has coordinates","244165","2020-10-21","18:00:00",""
"7238414","7.954","0.002","8.158","0.002","19.177","0.004","90","","90","","90","","1244.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-(1<i>R</i>,4<i>S</i>,5<i>S</i>,6<i>S</i>)-5-bromo-4-isopropyl -1-methyl-7-oxabicyclo[4.3.0]nonan-8-one","","- C12 H19 Br O2 -","- C12 H19 Br O2 -","- C48 H76 Br4 O8 -","4","1","","Grudniewska, Aleksandra; Dancewicz, Katarzyna; Białońska, Agata; Ciunik, Zbigniew; Gabryś, Beata; Wawrzeńczyk, Czesław","Synthesis of piperitone-derived halogenated lactones and their effect on aphid probing, feeding, and settling behavior","RSC Advances","2011","1","3","498","","10.1039/c1ra00270h","","","0.71073","MoKα","","0.0758","0.0489","","","0.0583","0.0627","","","","","","1.011","","","","has coordinates","244165","2020-10-21","18:00:00",""
"7238423","11.829","0.002","12.517","0.003","18.391","0.004","90","","90","","90","","2723","1","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 N6 Ti -","- C26 H30 Cl2 N6 Ti -","- C104 H120 Cl8 N24 Ti4 -","4","1","","Zhao, Yang; Lin, Miaoshui; Chen, Zhou; Pei, Hao; Li, Yahong; Chen, Yanmei; Wang, Xiufang; Li, Lei; Cao, Yanyuan; Zhang, Yong; Li, Wu","Titanium and zirconium amido complexes supported by imidazole-containing ligands: syntheses, characterization and catalytic activities","RSC Adv.","2012","2","1","144","","10.1039/C1RA00408E","","","0.71073","MoKα","","0.0452","0.0406","","","0.0871","0.0906","","","","","","0.999","","","","has coordinates","244168","2020-10-21","18:00:00",""
"7238445","10.798","0.017","15.09","0.02","27.46","0.04","90","","90","","90","","4474","11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H62 N8 O15 -","- C35 H62 N8 O15 -","- C140 H248 N32 O60 -","4","1","","Tian, Jun-Mian; Ou-Yang, Si-Sheng; Zhang, Xu; Di, Ying-Tong; Jiang, Hua-Liang; Li, Hong-Lin; Dai, Wei-Xing; Chen, Ke-Yu; Liu, Mai-Li; Hao, Xiao-Jiang; Shen, Yun-Heng; Luo, Cheng; Zhang, Wei-Dong","Experimental and computational insights into the conformations of tunicyclin E, a new cycloheptapeptide from Psammosilene tunicoides","RSC Adv.","2012","2","3","1126","","10.1039/C1RA00593F","","","0.71073","MoKα","","0.1705","0.081","","","0.1884","0.2354","","","","","","1.001","","","","has coordinates","244176","2020-10-21","18:00:00",""
"7238531","5.5771","0.0003","12.0652","0.0006","25.9356","0.0012","90","","90","","90","","1745.18","0.15","293","2","293.15","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang","Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene","CrystEngComm","2012","14","23","8286","","10.1039/c2ce26098k","","","0.7107","MoKα","","0.087","0.0474","","","0.0858","0.0995","","","","","","0.98","","","","has coordinates","244203","2020-10-21","18:00:00",""
"7238539","7.5089","0.0004","14.414","0.0007","21.5562","0.001","90","","90","","90","","2333.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24 Br3 N -","- C27 H24 Br3 N -","- C108 H96 Br12 N4 -","4","1","","Fang, Zhen; Chellappan, Vijila; Webster, Richard D.; Ke, Lin; Zhang, Tianfu; Liu, Bin; Lai, Yee-Hing","Bridged-triarylamine starburst oligomers as hole transporting materials for electroluminescent devices","Journal of Materials Chemistry","2012","22","30","15397","","10.1039/c2jm32840b","","","0.71073","MoKα","","0.0512","0.0373","","","0.0733","0.0771","","","","","","1.015","","","","has coordinates","244223","2020-10-21","18:00:00",""
"7238557","8.9366","0.0009","9.5424","0.001","12.1196","0.0014","90","","90","","90","","1033.52","0.19","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Fe O -","- C13 H10 Fe O -","- C52 H40 Fe4 O4 -","4","1","","Plażuk, Damian; Zakrzewski, Janusz; Nakatani, Keitaro; Makal, Anna; Woźniak, Krzysztof; Domagała, Sławomir","Electronic and molecular structures and bulk second‒order nonlinear optical properties of ferrocenyl ynones","RSC Advances","2012","2","8","3512","","10.1039/c2ra00037g","","","0.71073","MoKα","","0.0208","0.0195","","","0.0456","0.046","","","","","","1.087","","","","has coordinates","244231","2020-10-21","18:00:00",""
"7238565","11.807","0.002","18.175","0.004","23.693","0.005","90","","90","","90","","5084.3","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 N30 O2 Zn3 -","- C42 H42 N30 O2 Zn3 -","- C168 H168 N120 O8 Zn12 -","4","1","","Li, Yun-Wu; Tao, Ying; Wang, Li-Fu; Hu, Tong-Liang; Bu, Xian-He","New chiral coordination polymers constructed from well elaborated achiral and chiral ligands","RSC Advances","2012","2","10","4348","","10.1039/c2ra00046f","","","0.71073","MoKα","","0.0916","0.0697","","","0.1445","0.153","","","","","","1.146","","","","has coordinates","244234","2020-10-21","18:00:00",""
"7238605","9.4235","0.0011","10.3957","0.0012","15.9888","0.0018","90","","90","","90","","1566.3","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 O5 -","- C17 H15 N3 O5 -","- C68 H60 N12 O20 -","4","1","","Dorofeeva, Evgeniya O.; Elinson, Michail N.; Vereshchagin, Anatoly N.; Stepanov, Nikita O.; Bushmarinov, Ivan S.; Belyakov, Pavel A.; Sokolova, Olga O.; Nikishin, Gennady I.","Electrocatalysis in MIRC reaction strategy: facile stereoselective approach to medicinally relevant spirocyclopropylbarbiturates from barbituric acids and activated olefins","RSC Advances","2012","2","10","4444","","10.1039/c2ra20078c","","x-ray","0.71073","MoKα","K-L~3~","0.0355","0.0319","","","0.0823","0.0852","","","","","","1.067","","","","has coordinates","244253","2020-10-21","18:00:00",""
"7238624","5.637","0.0004","10.2308","0.0007","24.765","0.002","90","","90","","90","","1428.22","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N4 O3 -","- C14 H16 N4 O3 -","- C56 H64 N16 O12 -","4","1","","Sedash, Yuriy V.; Gorobets, Nikolay Yu.; Chebanov, Valentin A.; Konovalova, Irina S.; Shishkin, Oleg V.; Desenko, Sergey M.","Dotting the i's in three-component Biginelli-like condensations using 3-amino-1,2,4-triazole as a 1,3-binucleophile","RSC Advances","2012","2","17","6719","","10.1039/c2ra20195j","","","0.71073","MoKα","","0.0617","0.0443","","","0.0909","0.0957","","","","","","1.156","","","","has coordinates","244259","2020-10-21","18:00:00",""
"7238640","8.1778","0.0002","8.9545","0.0003","21.7298","0.0006","90","","90","","90","","1591.23","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","9a,11,11-Trimethyl-9a,12a-dihydrophenanthro(9',10':4,5) furo(2,3-d)(1,3)dioxole","9a,11,11-Trimethyl-9a,12a-dihydrophenanthro[9',10':4,5] furo[2,3-d][1,3]dioxole","","- C20 H18 O3 -","- C20 H18 O3 -","- C80 H72 O12 -","4","1","","Surya Prakash Rao, H.; Vijjapu, Satish","Chemistry of 9,10-phenanthrenequinone revisited: iron(iii) chloride catalyzed reactions of 9,10-phenanthrenequinone with acyclic and cyclic ketones provide furan annulated products","RSC Advances","2012","2","17","6773","","10.1039/c2ra20499a","","","0.71073","MoKα","","0.045","0.0341","","","0.0997","0.1092","","","","","","0.806","","","","has coordinates","244268","2020-10-21","18:00:00",""
"7238676","10.24","0.003","12.316","0.004","20.617","0.006","90","","90","","90","","2600.1","1.4","234","2","234","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H41 Li N4 Si -","- C22 H41 Li N4 Si -","- C88 H164 Li4 N16 Si4 -","4","1","","Fan, Mei; Yang, Qiaokun; Tong, Hongbo; Yuan, Shifang; Jia, Bin; Guo, Donglong; Zhou, Meisu; Liu, Diansheng","Synthesis and structural study of an unsymmetrical aliphatic benzamidinato ligand and its use in the formation of selected Cu(i), Mg(ii) and Zr(iv) complexes","RSC Advances","2012","2","16","6599","","10.1039/c2ra20709e","","","0.71073","MoKα","","0.0788","0.0593","","","0.152","0.1641","","","","","","0.974","","","","has coordinates","244284","2020-10-21","18:00:00",""
"7238706","5.9246","0.0009","11.7114","0.0019","16.898","0.003","90","","90","","90","","1172.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C48 H56 N16 O8 -","4","1","","Monbaliu, Jean-Christophe M.; Beagle, Lucas K.; Kovacs, Judit; Zeller, Matthias; Stevens, Christian V.; Katritzky, Alan R.","En route towards α-benzotriazoyl nitroso derivatives","RSC Advances","2012","2","24","8941","","10.1039/c2ra21311g","","","0.71073","MoKα","","0.0362","0.0346","","","0.0888","0.0904","","","","","","1.071","","","","has coordinates","244305","2020-10-21","18:00:00",""
"7238714","5.864","0.0002","15.2666","0.0018","26.181","0.002","90","","90","","90","","2343.8","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 Br N3 O5 -","- C25 H26 Br N3 O5 -","- C100 H104 Br4 N12 O20 -","4","1","","Campos, Vinicius R.; Santos, Evelyne A. dos; Ferreira, Vitor F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Costa-Lotufo, Letícia V.; de Moraes, Manoel O.; Regufe, Anna K. P.; Jordão, Alessandro K.; Pinto, Angelo C.; Resende, Jackson A. L. C.; Cunha, Anna C.","Synthesis of carbohydrate-based naphthoquinones and their substituted phenylhydrazono derivatives as anticancer agents","RSC Advances","2012","2","30","11438","","10.1039/c2ra21514d","","x-ray","0.71073","MoKα","","0.0401","0.0289","","","0.0568","0.0583","","","","","","0.95","","","","has coordinates","244312","2020-10-21","18:00:00",""
"7238715","5.1446","0.0003","13.3386","0.001","33.974","0.003","90","","90","","90","","2331.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br N3 O5 -","- C24 H24 Br N3 O5 -","- C96 H96 Br4 N12 O20 -","4","1","","Campos, Vinicius R.; Santos, Evelyne A. dos; Ferreira, Vitor F.; Montenegro, Raquel C.; de Souza, Maria C. B. V.; Costa-Lotufo, Letícia V.; de Moraes, Manoel O.; Regufe, Anna K. P.; Jordão, Alessandro K.; Pinto, Angelo C.; Resende, Jackson A. L. C.; Cunha, Anna C.","Synthesis of carbohydrate-based naphthoquinones and their substituted phenylhydrazono derivatives as anticancer agents","RSC Advances","2012","2","30","11438","","10.1039/c2ra21514d","","x-ray","1.54184","CuKα","","0.0719","0.0529","","","0.1243","0.1332","","","","","","1.105","","","","has coordinates,has disorder","244312","2020-10-21","18:00:00",""
"7238721","8.8443","0.0006","12.9861","0.0009","18.029","0.0013","90","","90","","90","","2070.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N4 O11 -","- C20 H26 N4 O11 -","- C80 H104 N16 O44 -","4","1","","Theile, Christopher S.; McLaughlin, Larry W.","Synthesis of 6,6′-(S)-cyclo-2′-deoxyuridine featuring a unique Barbier-style cyclization","RSC Advances","2012","2","31","11678","","10.1039/c2ra21559d","","","1.54178","CuKα","","0.0261","0.0255","","","0.0646","0.0651","","","","","","1.051","","","","has coordinates","244315","2020-10-21","18:00:00",""
"7238742","6.017","0.0005","8.991","0.0008","27.632","0.003","90","","90","","90","","1494.9","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl2 N2 -","- C17 H14 Cl2 N2 -","- C68 H56 Cl8 N8 -","4","1","","Viji, Mayavan; Nagarajan, Rajagopal","Zinc triflate catalyzed regioselective synthesis of pyrrolo[2,3-c]carbazoles via heteroannulation","RSC Advances","2012","2","28","10544","","10.1039/c2ra21735j","","","0.71073","MoKα","","0.0624","0.0603","","","0.159","0.1603","","","","","","1.215","","","","has coordinates","244323","2020-10-21","18:00:00",""
"7238762","6.3422","0.001","9.6502","0.0005","40.63","0.004","90","","90","","90","","2486.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 F N2 O6 -","- C27 H25 F N2 O6 -","- C108 H100 F4 N8 O24 -","4","1","","Sen, Subhabrata; Kamma, Siva R.; Gundla, Rambabu; Adepally, Uma; Kuncha, Santosh; Thirnathi, Sridhar; Prasad, U. Viplava","A reagent based DOS strategy via Evans chiral auxiliary: highly stereoselective Michael reaction towards optically active quinolizidinones, piperidinones and pyrrolidinones","RSC Advances","2013","3","7","2404","","10.1039/c2ra22115b","","","1.54184","CuKα","","0.0627","0.0453","","","0.1046","0.1163","","","","","","0.934","","","","has coordinates","244336","2020-10-21","18:00:00",""
"7238786","9.012","0.003","9.445","0.002","15.967","0.004","90","","90","","90","","1359.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Cl0 N3 O -","- C14 H17 N3 O -","- C56 H68 N12 O4 -","4","1","","Xiang, Dexuan; Bi, Xihe; Liao, Peiqiu; Fang, Guichun; Wang, Zikun; Xin, Xiaoqing; Dong, Dewen","Solvent-controlled, regio-switchable formation of 3-/5-arylaminopyrazole isomer in cyclocondensation of β-aminoenones with hydrazides: intermolecular hydrogen bonding plays a role","RSC Adv.","2013","3","2","386","","10.1039/C2RA22647B","","","0.71069","MoKα","","0.0677","0.0547","","","0.1391","0.148","","","","","","1.067","","","","has coordinates","244351","2020-10-21","18:00:00",""
"7238790","5.9527","0.0003","10.0187","0.0005","20.8776","0.001","90","","90","","90","","1245.1","0.11","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N3 S -","- C15 H11 N3 S -","- C60 H44 N12 S4 -","4","1","","Chen, Chung-Yu; Yang, Cheng-Hao; Hu, Wan-Ping; Kishore Vandavasi, Jaya; Chung, Mei-Ing; Wang, Jeh-Jeng","Synthesis of fused triazolo[4,5-d]quinoline/chromene/thiochromene derivatives via palladium catalysis mediated by tetrabutylammonium iodide","RSC Advances","2013","3","8","2710","","10.1039/c2ra22799a","","x-ray","0.71073","MoKα","","0.0412","0.0352","","","0.0794","0.0834","","","","","","1.033","","","","has coordinates","244354","2020-10-21","18:00:00",""
"7238894","5.9798","0.0009","14.147","0.002","25.909","0.004","90","","90","","90","","2191.8","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","((5R,7S)-7-isopropoxy-3-(4-nitrophenyl)-4-oxo-2-phenyl- 2,4,5,7-tetrahydropyrano(3,4-c)pyrazol-5-yl) methyl acetate","((5R,7S)-7-isopropoxy-3-(4-nitrophenyl)-4-oxo-2- phenyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-5-yl) methyl acetate","","- C24 H23 N3 O7 -","- C24 H23 N3 O7 -","- C96 H92 N12 O28 -","4","1","","Saquib, Mohammad; Husain, Irfan; Kant, Ruchir; Meena, Sanjeev; Gauniyal, H. M.; Sinha, Sudhir; Maulik, P. R.; Shaw, Arun K.","Regioselective synthesis of densely functionalized, enantiopure, sugar‒pyrazole hybrids as potential scaffolds for drug discovery","RSC Advances","2013","3","14","4526","","10.1039/c3ra22287j","","","0.71073","MoKα","","0.0624","0.0464","","","0.0927","0.101","","","","","","1.004","","","","has coordinates","244451","2020-10-21","18:00:00",""
"7238903","14.727","0.001","18.251","0.002","22.211","0.002","90","","90","","90","","5969.9","0.9","250","2","250","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C92 H68 N -","- C91.9738 H68 N -","- C367.895 H272 N4 -","4","1","","Shestakov, Alexander F.; Konarev, Dmitri V.; Simonov, Sergey V.; Khasanov, Salavat S.; Lapshin, Alexander N.; Goldshleger, Nataliya F.","Structure and spectral properties of fullerene ‒ tetraoctylammonium bromide composition in neutral and ionic states: experimental data and theoretical analysis","RSC Advances","2013","3","22","8341","","10.1039/c3ra22787a","","","0.71073","MoKα","","0.198","0.1222","","","0.311","0.3396","","","","","","1.84","","","","has coordinates,has disorder","244458","2020-10-21","18:00:00",""
"7238906","6.3845","0.0017","13.615","0.004","22.618","0.007","90","","90","","90","","1966.1","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br2 O3 P -","- C20 H21 Br2 O3 P -","- C80 H84 Br8 O12 P4 -","4","1","","Cao, Deng-Ke; Lu, Yue-Hao; Zheng, Tao; Zhang, Yu-Hao; Li, Yi-Zhi; Zheng, Li-Min","Reaction of an anthracene-based cyclic phosphonate ester with trimethylsilyl bromide unexpectedly generating two phosphonates: syntheses, crystal structures and fluorescent properties","RSC Advances","2013","3","12","4001","","10.1039/c3ra22863k","","","0.71073","MoKα","","0.0685","0.0513","","","0.102","0.1055","","","","","","1.057","","","","has coordinates","244459","2020-10-21","18:00:00",""
"7238948","10.0647","0.0007","13.9863","0.0012","20.4134","0.0015","90","","90","","90","","2873.6","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 -","- C15 H22 N2 -","- C120 H176 N16 -","8","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.193","0.0813","","","0.1213","0.1605","","","","","","1.017","","","","has coordinates","244475","2020-10-21","18:00:00",""
"7238983","10.706","0.002","14.746","0.003","16.87","0.004","90","","90","","90","","2663.3","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 F3 N O4 S -","- C9 H16 F3 N O4 S -","- C72 H128 F24 N8 O32 S8 -","8","2","","Shevchuk, Michael V.; Kukhar, Valery P.; Röschenthaler, Gerd-Volker; Bassil, Bassem S.; Kawada, Kosuke; Soloshonok, Vadim A.; Sorochinsky, Alexander E.","New asymmetric approach to β-trifluoromethyl isoserines","RSC Advances","2013","3","18","6479","","10.1039/c3ra40687c","","","0.71073","MoKα","","0.0262","0.0242","","","0.0594","0.0601","","","","","","1.026","","","","has coordinates","244494","2020-10-21","18:00:00",""
"7239002","12.1101","0.001","12.3001","0.001","13.492","0.0011","90","","90","","90","","2009.7","0.3","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","macrocycle","(4E,15E)-10,10-Dimethyl-2,7-dioxa-15-methoxycarbonyltricyclo[15.3.1.08,13]henicosane-1(21),4,-8(13),15,17,19-hexaen-12-one","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis‒Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0693","0.0631","","","0.1357","0.1395","","","","","","1.142","","","","has coordinates","244503","2020-10-21","18:00:00",""
"7239035","7.6964","0.0006","9.0385","0.0009","28.1815","0.0019","90","","90","","90","","1960.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Savić, Marina P.; Djurendić, Evgenija A.; Petri, Edward T.; Ćelić, Andjelka; Klisurić, Olivera R.; Sakač, Marija N.; Jakimov, Dimitar S.; Kojić, Vesna V.; Gaši, Katarina M. Penov","Synthesis, structural analysis and antiproliferative activity of some novel D-homo lactone androstane derivatives","RSC Advances","2013","3","26","10385","","10.1039/c3ra41336e","","","1.5418","CuKα","","0.0711","0.0448","","","0.1108","0.1413","","","","","","1.028","","","","has coordinates","244516","2020-10-21","18:00:00",""
"7239036","7.6411","0.0003","8.3284","0.0004","27.4713","0.0013","90","","90","","90","","1748.22","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O5 -","- C19 H27 N O5 -","- C76 H108 N4 O20 -","4","1","","Savić, Marina P.; Djurendić, Evgenija A.; Petri, Edward T.; Ćelić, Andjelka; Klisurić, Olivera R.; Sakač, Marija N.; Jakimov, Dimitar S.; Kojić, Vesna V.; Gaši, Katarina M. Penov","Synthesis, structural analysis and antiproliferative activity of some novel D-homo lactone androstane derivatives","RSC Advances","2013","3","26","10385","","10.1039/c3ra41336e","","","0.71073","MoKα","","0.0571","0.0465","","","0.0901","0.0946","","","","","","1.075","","","","has coordinates","244516","2020-10-21","18:00:00",""
"7239052","6.77744","0.00012","14.074","0.0003","19.0348","0.0004","90","","90","","90","","1815.65","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar; Reddy, P. Srinivasa","Direct organocatalytic stereoselective transfer hydrogenation of conjugated olefins of steroids","RSC Advances","2013","3","32","13497","","10.1039/c3ra41519h","","","1.5418","CuKα","","0.0499","0.0466","","","0.1301","0.1336","","","","","","1.061","","","","has coordinates","244524","2020-10-21","18:00:00",""
"7239053","7.9253","0.0018","8.4074","0.0017","25.074","0.005","90","","90","","90","","1670.7","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar; Reddy, P. Srinivasa","Direct organocatalytic stereoselective transfer hydrogenation of conjugated olefins of steroids","RSC Advances","2013","3","32","13497","","10.1039/c3ra41519h","","","0.71073","MoKα","","0.0877","0.0588","","","0.1188","0.1356","","","","","","1.024","","","","has coordinates","244524","2020-10-21","18:00:00",""
"7239061","4.9215","0.0007","13.8042","0.0018","26.079","0.003","90","","90","","90","","1771.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Br N2 O3 -","- C19 H21 Br N2 O3 -","- C76 H84 Br4 N8 O12 -","4","1","","Maurya, Hardesh K.; Vasudev, Prema G.; Gupta, Atul","A regioselective synthesis of 2,6-diarylpyridines","RSC Advances","2013","3","31","12955","","10.1039/c3ra41575a","","","0.71073","MoKα","","0.0244","0.0224","","","0.0573","0.0583","","","","","","0.806","","","","has coordinates","244530","2020-10-21","18:00:00",""
"7239072","5.6282","0.0009","9.0457","0.0014","22.768","0.004","90","","90","","90","","1159.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br N3 O -","- C11 H10 Br N3 O -","- C44 H40 Br4 N12 O4 -","4","1","","Li, Nai-Kai; Liu, Zhao-Min; Huang, Xiao-Fei; Zhang, Jin-Xin; Chen, Xiang; Wang, Yong; Wang, Xing-Wang","Enantioselective Strecker-type reaction between azomethine imines and trimethylsilyl cyanide catalyzed by a cinchona alkaloid-derived thiourea bearing multiple hydrogen-bonding donors","RSC Advances","2013","3","24","9154","","10.1039/c3ra41640b","","","0.71073","MoKα","","0.0557","0.0462","","","0.1173","0.122","","","","","","1.063","","","","has coordinates","244535","2020-10-21","18:00:00",""
"7239082","5.9746","0.0003","17.1181","0.0011","25.5543","0.0015","90","","90","","90","","2613.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 F6 N O3 -","- C28 H29 F6 N O3 -","- C112 H116 F24 N4 O12 -","4","1","","Romanski, Jan; Nowak, Piotr; Maksymiuk, Anna; Chapuis, Christian; Jurczak, Janusz","Diastereoselective 1,3-dipolar cycloadditions of both electronically modified phenyl-nitrile oxides and stilbenes","RSC Advances","2013","3","45","23105","","10.1039/c3ra41718b","","","0.71073","MoKα","","0.0442","0.0394","","","0.1185","0.1247","","","","","","1.051","","","","has coordinates","244538","2020-10-21","18:00:00",""
"7239095","8.242","0.004","15.9","0.008","18.948","0.01","90","","90","","90","","2483","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H24 O -","- C35 H24 O -","- C140 H96 O4 -","4","1","","Bej, Ansuman; Chakraborty, Amarnath; Sarkar, Amitabha","Solvent free, phosphine free Pd-catalyzed annulations of aryl bromides with diarylacetylenes","RSC Advances","2013","3","36","15812","","10.1039/c3ra41924j","","","0.71073","MoKα","","0.0538","0.0468","","","0.1137","0.1213","","","","","","0.504","","","","has coordinates","244541","2020-10-21","18:00:00",""
"7239107","7.8795","0.0007","10.879","0.0008","19.733","0.002","90","","90","","90","","1691.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(6-chloro-4-phenyl-1,2-dihydroquinolin-2-yl)phenol","","- C20 H15 Cl N2 O -","- C20 H15 Cl N2 O -","- C80 H60 Cl4 N8 O4 -","4","1","","Panja, Sumit Kumar; Saha, Satyen","Recyclable, magnetic ionic liquid bmim[FeCl4]-catalyzed, multicomponent, solvent-free, green synthesis of quinazolines","RSC Advances","2013","3","34","14495","","10.1039/c3ra42039f","","","0.71073","MoKα","","0.0735","0.0528","","","0.1147","0.1309","","","","","","1.053","","","","has coordinates","244548","2020-10-21","18:00:00",""
"7239121","8.505","0.002","14.137","0.001","24.601","0.003","90","","90","","90","","2957.9","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CMPWWSSR","","","- C32 H33 N7 O9 -","- C32 H33 N7 O9 -","- C128 H132 N28 O36 -","4","1","","Barman, Apurba Kr.; Verma, Sandeep","Solid state structures and solution phase self-assembly of clicked mannosylated diketopiperazines","RSC Advances","2013","3","34","14691","","10.1039/c3ra42310g","","","0.71073","MoKα","","0.0891","0.0638","","","0.1573","0.1822","","","","","","1.086","","","","has coordinates","244555","2020-10-21","18:00:00",""
"7239127","14.0169","0.0003","16.7072","0.0003","19.0984","0.0004","90","","90","","90","","4472.52","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H44 N2 O8 Re2 -","- C48 H44 N2 O8 Re2 -","- C192 H176 N8 O32 Re8 -","4","1","","Sathish, Veerasamy; Babu, Eththilu; Ramdass, Arumugam; Lu, Zong-Zhan; Chang, Tzu-Ting; Velayudham, Murugesan; Thanasekaran, Pounraj; Lu, Kuang-Lieh; Li, Wen-Shan; Rajagopal, Seenivasan","Photoswitchable alkoxy-bridged binuclear rhenium(i) complexes ‒ a potential probe for biomolecules and optical cell imaging","RSC Advances","2013","3","40","18557","","10.1039/c3ra42627k","","","0.71073","MoKα","","0.0571","0.0463","","","0.1113","0.1178","","","","","","1.067","","","","has coordinates","244560","2020-10-21","18:00:00",""
"7239133","7.3183","0.0005","12.5581","0.0009","27.197","0.002","90","","90","","90","","2499.5","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","maleimide","1-phenyl-3-(phenylamino)-1H-pyrrole-2,5-dione","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","2","","Boominathan, Muthusamy; Sathish, Veerasamy; Nagaraj, Muthupandi; Bhuvanesh, Nattamai; Muthusubramanian, Shanmugam; Rajagopal, Seenivasan","Aggregation induced emission characteristics of maleimide derivatives","RSC Advances","2013","3","44","22246","","10.1039/c3ra42809e","","","1.54178","CuKα","","0.0663","0.0538","","","0.1386","0.1456","","","","","","1.051","","","","has coordinates","244565","2020-10-21","18:00:00",""
"7239174","9.011","0.0003","10.3134","0.0005","22.7196","0.0009","90","","90","","90","","2111.42","0.15","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br N2 O3 S -","- C22 H17 Br N2 O3 S -","- C88 H68 Br4 N8 O12 S4 -","4","1","","Li, Yuan; Su, Yu-Han; Dong, De-Jun; Wu, Zhao; Tian, Shi-Kai","Chiral boron Lewis acid-catalyzed asymmetric synthesis of 4,5-dihydropyrrolo[1,2-a]quinoxalines","RSC Advances","2013","3","40","18275","","10.1039/c3ra43248c","","","0.71073","MoKα","","0.0928","0.0578","","","0.1241","0.1422","","","","","","1.023","","","","has coordinates","244584","2020-10-21","18:00:00",""
"7239182","7.8847","0.0005","11.3771","0.0007","20.8098","0.0013","90","","90","","90","","1866.7","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-(dimethylamino)-5-iso-propylphenyl) dibenzo[b,d]furan-2-ol","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Chiranjeevi, Barreddi; Koyyada, Ganesh; Prabusreenivasan, S.; Kumar, Vanaja; Sujitha, Pombala; Kumar, C. Ganesh; Sridhar, B.; Shaik, Saida; Chandrasekharam, Malapaka","Iron-catalyzed aryl-aryl cross coupling route for the synthesis of 1-(2-amino)-phenyl)dibenzo[b,d]furan-2-ol derivatives and their biological evaluation","RSC Advances","2013","3","37","16475","","10.1039/c3ra43345e","","","0.71073","MoKα","","0.0329","0.0307","","","0.0821","0.0842","","","","","","1.067","","","","has coordinates","244591","2020-10-21","18:00:00",""
"7239184","10.788","0.002","12.438","0.003","27.874","0.006","90","","90","","90","","3740.2","1.4","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H38 Br Cl2 N O -","- C41 H38 Br Cl2 N O -","- C164 H152 Br4 Cl8 N4 O4 -","4","1","","Qi, Qingkai; Fang, Xiaofeng; Liu, Yifei; Zhou, Peng; Zhang, Yumo; Yang, Bing; Tian, Wenjing; Zhang, Sean Xiao-An","A TPE-oxazoline molecular switch with tunable multi-emission in both solution and solid state","RSC Advances","2013","3","38","16986","","10.1039/c3ra43357a","","","0.71073","MoKα","","0.1208","0.0535","","","0.1032","0.1229","","","","","","0.945","","","","has coordinates","244593","2020-10-21","18:00:00",""
"7239209","4.2876","0.0005","19.102","0.002","23.711","0.003","90","","90","","90","","1942","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","'4-(4-ethylphenyl)-2-phenyl-3-thioxo-2,3-dihydro-1H-pyrrolo[3,4-c] quinolin-1-one'","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C100 H72 N8 O4 S4 -","4","1","","Avula, Sreenivas; Koppireddi, Satish; Komsani, Jayaram Reddy; Nanubolu, Jagadeesh Babu; Yadla, Rambabu","One-pot two-component tandem multiple transformations in the synthesis of N,4-diaryl-2,3-dihydropyrrolo[3,4-c]quinolin-1,3-diones and their 3-thioxo-analogues under neat conditions","RSC Advances","2013","3","43","20990","","10.1039/c3ra43489c","","","0.71073","MoKα","","0.0912","0.0867","","","0.1938","0.1965","","","","","","1.315","","","","has coordinates","244600","2020-10-21","18:00:00",""
"7239229","8.1947","0.0005","9.7139","0.0006","19.6679","0.0011","90","","90","","90","","1565.61","0.16","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 O S2 -","- C14 H26 O S2 -","- C56 H104 O4 S8 -","4","1","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0274","0.0261","","","0.0707","0.0717","","","","","","1.08","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7239234","8.9355","0.0009","10.2534","0.0011","22.396","0.002","90","","90","","90","","2051.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C80 H88 O32 -","4","1","","Jiang, Min; Xiong, Bing; Shen, Yu-mei; Yang, Chunhao","Design, synthesis, and preliminary biological evaluation of novel ketone derivatives of shikimic acid","RSC Advances","2013","3","43","20599","","10.1039/c3ra43755h","","","0.71073","MoKα","","0.0511","0.0409","","","0.0916","0.0964","","","","","","0.985","","","","has coordinates","244611","2020-10-21","18:00:00",""
"7239237","6.8656","0.0014","12.618","0.003","13.593","0.003","90","","90","","90","","1177.6","0.5","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 O3 -","- C16 H10 O3 -","- C64 H40 O12 -","4","1","","Kapdi, Anant R.; Karbelkar, Amruta; Naik, Minal; Pednekar, Suhas; Fischer, Christian; Schulzke, Carola; Tromp, Moniek","Efficient synthesis of coumarin-based tetra and pentacyclic rings using phospha-palladacycles","RSC Advances","2013","3","43","20905","","10.1039/c3ra43821j","","","0.71073","MoKα","","0.0693","0.0469","","","0.1147","0.1276","","","","","","1.053","","","","has coordinates","244612","2020-10-21","18:00:00",""
"7239257","4.8665","0.0008","16.429","0.003","25.787","0.004","90","","90","","90","","2061.7","0.6","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 Br2 N2 O2 -","- C18 H32 Br2 N2 O2 -","- C72 H128 Br8 N8 O8 -","4","1","","Sato, Hisako; Nogami, Emiko; Yajima, Tomoko; Yamagishi, Akihiko","Terminal effects on gelation by low molecular weight chiral gelators","RSC Adv.","2014","4","4","1659","","10.1039/C3RA44070B","","","0.71073","MoKα","","0.0329","0.0266","","","0.0467","0.048","","","","","","1.019","","","","has coordinates","244620","2020-10-21","18:00:00",""
"7239258","4.8466","0.0007","17.841","0.003","28.081","0.004","90","","90","","90","","2428.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 Br2 N2 O2 -","- C22 H40 Br2 N2 O2 -","- C88 H160 Br8 N8 O8 -","4","1","","Sato, Hisako; Nogami, Emiko; Yajima, Tomoko; Yamagishi, Akihiko","Terminal effects on gelation by low molecular weight chiral gelators","RSC Adv.","2014","4","4","1659","","10.1039/C3RA44070B","","","0.71073","MoKα","","0.055","0.0402","","","0.0786","0.0826","","","","","","1.015","","","","has coordinates","244620","2020-10-21","18:00:00",""
"7239261","6.4368","0.0004","14.3488","0.0009","20.3824","0.0013","90","","90","","90","","1882.5","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 S2 -","- C18 H21 N O3 S2 -","- C72 H84 N4 O12 S8 -","4","1","","Li, Ya; Huang, Haiji; Wang, Zhen; Yang, Fan; Li, Desheng; Qin, Bo; Ren, Xinfeng","Stereoselective synthesis of C-sulfonylated aziridines from halomethyl phenyl sulfone and N-tert-butanesulfinyl imines","RSC Adv.","2014","4","2","969","","10.1039/C3RA44174A","","","0.71073","MoKα","","0.039","0.0369","","","0.0978","0.0992","","","","","","1.047","","","","has coordinates","244623","2020-10-21","18:00:00",""
"7239262","9.8142","0.0009","10.5612","0.001","17.6233","0.0017","90","","90","","90","","1826.7","0.3","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O3 S2 -","- C18 H21 N O3 S2 -","- C72 H84 N4 O12 S8 -","4","1","","Li, Ya; Huang, Haiji; Wang, Zhen; Yang, Fan; Li, Desheng; Qin, Bo; Ren, Xinfeng","Stereoselective synthesis of C-sulfonylated aziridines from halomethyl phenyl sulfone and N-tert-butanesulfinyl imines","RSC Adv.","2014","4","2","969","","10.1039/C3RA44174A","","","0.71073","MoKα","","0.0297","0.0264","","","0.0754","0.0778","","","","","","1.09","","","","has coordinates","244623","2020-10-21","18:00:00",""
"7239291","9.2847","0.0014","19.642","0.003","27.419","0.004","90","","90","","90","","5000.4","1.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N O8.5 -","- C24 H29 N O8.5 -","- C192 H232 N8 O68 -","8","2","","Pawar, Sachin A.; Jabgunde, Amit M.; Petzold, Katja; Maguire, Glenn E. M.; Dhavale, Dilip D.; Kruger, Hendrik G.; Govender, Thavendran","Investigation and folding pattern of l-ido and d-gluco peptides by EASY ROESY NMR and X-ray","RSC Advances","2013","3","45","23355","","10.1039/c3ra44542a","","","0.71073","MoKα","","0.1316","0.0559","","","0.1155","0.1425","","","","","","0.958","","","","has coordinates","244638","2020-10-21","18:00:00",""
"7239322","3.7225","0.0006","14.857","0.003","27.524","0.004","90","","90","","90","","1522.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H N4 O2 -","- C21 H12 N4 O2 -","- C84 H48 N16 O8 -","4","1","","Li, Bo; Yue, Zhizhou; Xiang, Haoyue; Lv, Linlin; Song, Shanshan; Miao, Zehong; Yang, Chunhao","Catalyst-free synthesis of benzofuran-fused pyrido[4,3-d]pyrimidines from 2-(2-hydroxyaryl)acetonitrile and 4,6-dichloropyrimidine-5-carbaldehyde through domino condensation reactions","RSC Adv.","2014","4","1","358","","10.1039/C3RA44828B","","","0.71073","MoKα","","0.1197","0.0931","","","0.1219","0.1261","","","","","","1.874","","","","has coordinates","244651","2020-10-21","18:00:00",""
"7239397","10.543","0.004","11.55","0.004","21.298","0.008","90","","90","","90","","2593.5","1.7","93","","93","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Ag Cl N O4 S3 -","- C24 H27 Ag Cl N O4 S3 -","- C96 H108 Ag4 Cl4 N4 O16 S12 -","4","1","","Hiruta, Yuki; Watanabe, Takafumi; Nakamura, Etsuko; Iwasawa, Naoko; Sato, Hiroyasu; Hamada, Kensaku; Citterio, Daniel; Suzuki, Koji","Steric hindrance effects in tripodal ligands for extraction and back-extraction of Ag+","RSC Advances","2014","4","19","9791","","10.1039/c3ra45700a","","","0.71075","MoKα","","","0.0202","","","","0.0478","","","","","","0.98","","","","has coordinates","244680","2020-10-21","18:00:00",""
"7239400","5.9565","0.0009","14.401","0.002","19.337","0.003","90","","90","","90","","1658.7","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 F3 N O2 S -","- C15 H18 F3 N O2 S -","- C60 H72 F12 N4 O8 S4 -","4","1","","Xie, Chen; Mei, Haibo; Wu, Lingmin; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","LDA-promoted asymmetric synthesis of β-trifluoromethyl-β-amino indanone derivatives with virtually complete stereochemical outcome","RSC Adv.","2014","4","9","4763","","10.1039/C3RA45773G","","","0.71073","MoKα","","0.0823","0.0448","","","0.0922","0.0998","","","","","","1.009","","","","has coordinates","244683","2020-10-21","18:00:00",""
"7239422","15.585","0.0007","17.9285","0.0007","17.981","0.0008","90","","90","","90","","5024.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H31 Cl O9 -","- C24 H31 Cl O9 -","- C192 H248 Cl8 O72 -","8","2","","Lei, Hui; Sun, Jian-Fan; Han, Zhuang; Zhou, Xue-Feng; Yang, Bin; Liu, Yonghong","Fragilisinins A‒L, new briarane-type diterpenoids from gorgonian Junceella fragilis","RSC Advances","2014","4","10","5261","","10.1039/c3ra46163g","","","0.71073","MoKα","","0.0865","0.043","","","0.0912","0.1116","","","","","","1.022","","","","has coordinates","244696","2020-10-21","18:00:00",""
"7239445","10.4234","0.0002","10.5165","0.0002","39.4004","0.0006","90","","90","","90","","4318.98","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C37 H61 N7 O9 S -","- C37 H61 N7 O9 S -","- C148 H244 N28 O36 S4 -","4","1","","Roy, Arup; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Probing the folding induction ability of orthanilic acid in peptides: some observations","RSC Advances","2014","4","25","13018","","10.1039/c3ra47039c","","","0.71073","MoKα","","0.0448","0.0399","","","0.0921","0.0944","","","","","","1.127","","","","has coordinates","244712","2020-10-21","18:00:00",""
"7239464","11.957","0.0004","12.5129","0.0004","15.4458","0.0004","90","","90","","90","","2310.95","0.12","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H39 N O2 -","- C26 H39 N O2 -","- C104 H156 N4 O8 -","4","1","","Jiao, Wei-Hua; Xu, Ting-Ting; Yu, Hao-Bing; Mu, Feng-Rong; Li, Jia; Li, Yu-Shan; Yang, Fan; Han, Bing-Nan; Lin, Hou-Wen","Dysidaminones A‒M, cytotoxic and NF-κB inhibitory sesquiterpene aminoquinones from the South China Sea sponge Dysidea fragilis","RSC Adv.","2014","4","18","9236","","10.1039/C3RA47265E","","","1.54178","CuKα","","0.0546","0.054","","","0.1856","0.1877","","","","","","1.095","","","","has coordinates,has disorder","244722","2020-10-21","18:00:00",""
"7239465","7.2191","0.0014","7.6075","0.0015","35.255","0.007","90","","90","","90","","1936.2","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C88 H124 N4 O8 -","4","1","","Jiao, Wei-Hua; Xu, Ting-Ting; Yu, Hao-Bing; Mu, Feng-Rong; Li, Jia; Li, Yu-Shan; Yang, Fan; Han, Bing-Nan; Lin, Hou-Wen","Dysidaminones A‒M, cytotoxic and NF-κB inhibitory sesquiterpene aminoquinones from the South China Sea sponge Dysidea fragilis","RSC Adv.","2014","4","18","9236","","10.1039/C3RA47265E","","","1.54178","CuKα","","0.064","0.05","","","0.1203","0.1299","","","","","","1.045","","","","has coordinates","244722","2020-10-21","18:00:00",""
"7239555","6.5633","0.0011","7.6976","0.0013","19.158","0.003","90","","90","","90","","967.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dihydroxylammonium (5,5'-(hydrazonomethylene)ditetrazol-2-ide)","","- C3 H10 N12 O2 -","- C3 H10 N12 O2 -","- C12 H40 N48 O8 -","4","1","","Chand, Deepak; Parrish, Damon A.; Shreeve, Jean'ne M.","Di(1H-tetrazol-5-yl)methanone oxime and 5,5′-(hydrazonomethylene)bis(1H-tetrazole) and their salts: a family of highly useful new tetrazoles and energetic materials","Journal of Materials Chemistry A","2013","1","48","15383","","10.1039/c3ta13425c","","","0.71073","MoKα","","0.0437","0.0384","","","0.0932","0.0964","","","","","","1.086","","","","has coordinates","244767","2020-10-21","18:00:00",""
"7239567","6.944","0.002","11.434","0.004","15.743","0.006","90","","90","","90","","1250","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 I N -","- C12 H16 I N -","- C48 H64 I4 N4 -","4","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0164","0.0151","","","0.0378","0.0385","","","","","","0.623","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239600","9.9965","0.0005","16.562","0.001","18.7532","0.0011","90","","90","","90","","3104.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","darunavir dihydrate","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl((2S,3R)-4- ((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1- phenylbutan-2-yl)carbamate dihydrate","","- C27 H41 N3 O9 S -","- C27 H41 N3 O9 S -","- C108 H164 N12 O36 S4 -","4","1","","Shen, Jie; Bai, Hongzhen; Zhou, Xinbo; Liu, Jiyong; Hu, Xiurong; Chu, Paul K.; Tang, Guping","Spontaneous single-crystal to single-crystal transition with self-healing cracks involving solvent exchange","CrystEngComm","2019","21","7","1102","","10.1039/C8CE02110D","","","0.71073","MoKα","","0.0748","0.0478","","","0.106","0.1225","","","","","","1.011","","","","has coordinates","244812","2020-10-21","18:00:00",""
"7239601","9.9846","0.0005","16.6017","0.001","19.0274","0.001","90","","90","","90","","3154","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","darunavir ethanol solvate","(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl((2S,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate ethanol solvate","","- C29 H43 N3 O8 S -","- C29 H43 N3 O8 S -","- C116 H172 N12 O32 S4 -","4","1","","Shen, Jie; Bai, Hongzhen; Zhou, Xinbo; Liu, Jiyong; Hu, Xiurong; Chu, Paul K.; Tang, Guping","Spontaneous single-crystal to single-crystal transition with self-healing cracks involving solvent exchange","CrystEngComm","2019","21","7","1102","","10.1039/C8CE02110D","","","0.71073","MoKα","","0.1451","0.0923","","","0.1391","0.1592","","","","","","1.103","","","","has coordinates","244812","2020-10-21","18:00:00",""
"7239660","12.6209","0.0006","15.82","0.0004","30.3571","0.0015","90","","90","","90","","6061.2","0.4","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit[6]uril/dopamine metastable complex","","","- C44 H75 Cl N25 O27.5 -","- C44 H48 Cl N25 O27.5 -","- C176 H192 Cl4 N100 O110 -","4","1","","Danylyuk, Oksana; Worzakowska, Marta; Osypiuk-Tomasik, Joanna; Sashuk, Volodymyr; Kedra-Krolik, Karolina","Solution-mediated and single-crystal to single-crystal transformations of cucurbit[6]uril host‒guest complexes with dopamine","CrystEngComm","2020","22","4","634","638","10.1039/C9CE01743G","","","1.54184","CuKα","","0.1136","0.0947","","","0.257","0.282","","","","","","1.019","","","","has coordinates,has disorder","257460","2020-10-21","18:00:00",""
"7239672","9.582","0.0009","14.7653","0.0013","16.1241","0.0012","90","","90","","90","","2281.3","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Mn N9 O4 -","- C17 H21 Cl2 Mn N9 O4 -","- C68 H84 Cl8 Mn4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0306","0.0295","","","0.0726","0.0733","","","","","","1.048","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239673","9.5465","0.0006","14.6856","0.001","15.9616","0.0012","90","","90","","90","","2237.8","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Co N9 O4 -","- C17 H21 Cl2 Co N9 O4 -","- C68 H84 Cl8 Co4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0271","0.0248","","","0.06","0.0613","","","","","","1.048","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239674","9.396","0.004","14.669","0.006","16.074","0.007","90","","90","","90","","2215.5","1.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 Fe N9 O4 -","- C17 H21 Cl2 Fe N9 O4 -","- C68 H84 Cl8 Fe4 N36 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0351","0.0312","","","0.0741","0.0765","","","","","","0.992","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239676","9.4888","0.0007","14.7278","0.0009","15.9298","0.001","90","","90","","90","","2226.2","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 N9 Ni O4 -","- C17 H21 Cl2 N9 Ni O4 -","- C68 H84 Cl8 N36 Ni4 O16 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0242","0.0228","","","0.0548","0.0553","","","","","","1.058","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239677","9.5605","0.0008","14.6922","0.0011","15.96","0.0014","90","","90","","90","","2241.8","0.3","192","2","192","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Cl2 N9 O4 Zn -","- C17 H21 Cl2 N9 O4 Zn -","- C68 H84 Cl8 N36 O16 Zn4 -","4","1","","Matsushima, Misaki; Wada, Koki; Horino, Yuki; Takahara, Kazuma; Sunatsuki, Yukinari; Suzuki, Takayoshi","Transition-metal(ii) complexes with a tripodal hexadentate ligand, 1,1,1-tris[2-aza-3-(imidazol-4-yl)prop-2-enyl]ethane, exhibiting incomplete total or absolute spontaneous resolution","CrystEngComm","2020","22","3","458","466","10.1039/C9CE01864F","","","0.71075","MoKα","","0.0727","0.0462","","","0.0835","0.0956","","","","","","1.015","","","","has coordinates","257490","2020-10-21","18:00:00",""
"7239734","10.969","0.002","18.363","0.003","19.253","0.004","90","","90","","90","","3878","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 O7 -","- C43 H48 O7 -","- C172 H192 O28 -","4","1","","Xiao, Zufeng; Yang, Weiping; Luo, Jia; Guo, Rong; Zeng, Rong; Ji, Lingbo; Li, Wei; Wang, Wei","Weak intermolecular interaction directed assembly of calix[4]arene derivatives","CrystEngComm","2019","21","46","7114","","10.1039/C9CE01286A","","","0.71073","MoKα","","0.0957","0.0781","","","0.2232","0.2534","","","","","","1.049","","","","has coordinates,has disorder","287883","2023-11-30","11:40:54",""
"7239780","11.324","0.0009","12.502","0.004","14.398","0.004","90","","90","","90","","2038.4","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0457","0.0321","","","0.0551","0.0588","","","","","","1.015","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239782","11.321","0.007","12.502","0.006","14.4","0.02","90","","90","","90","","2038","3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl2 Hg N2 O4 -","- C18 H18 Cl2 Hg N2 O4 -","- C72 H72 Cl8 Hg4 N8 O16 -","4","1","","Jouaiti, Abdelaziz; Grosshans, Philippe; Kyritsakas, Nathalie; Ferlay, Sylvie; Henry, Marc; Hosseini, Mir Wais","Crystal formation of 1D coordination polymers based on chiral, achiral and racemic 1,2-cyclohexane scaffolds","CrystEngComm","2020","22","10","1746","1753","10.1039/C9CE01781J","","","0.71073","MoKα","","0.0361","0.0287","","","0.0511","0.0532","","","","","","1.024","","","","has coordinates","257431","2020-10-21","18:00:00",""
"7239806","8.0649","0.0006","11.3973","0.0008","32.416","0.002","90","","90","","90","","2979.6","0.4","170","2","169.98","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O9 -","- C30 H50 O9 -","- C120 H200 O36 -","4","1","","Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng","Stewartiacids A‒N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB","RSC Advances","2020","10","6","3343","3356","10.1039/C9RA09542J","","","1.34139","GaKα","","0.1371","0.0949","","","0.2521","0.2937","","","","","","1.031","","","","has coordinates","258054","2020-10-21","18:00:00",""
"7239830","10.8304","0.0003","15.9589","0.0004","21.2922","0.0005","90","","90","","90","","3680.17","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H47 N3 O9 -","- C36 H47 N3 O9 -","- C144 H188 N12 O36 -","4","1","","Yu, Kun; Yang, Xinmei; Li, Ying; Cui, Xue; Liu, Bo; Yao, Qingqiang","Synthesis of cucurbitacin IIa derivatives with apoptosis-inducing capabilities in human cancer cells","RSC Advances","2020","10","7","3872","3881","10.1039/C9RA09113K","","","1.54178","CuKα","","0.0441","0.0434","","","0.1158","0.1166","","","","","","1.062","","","","has coordinates","258090","2020-10-21","18:00:00",""
"7239850","4.5881","0.0013","6.5905","0.0016","29.664","0.008","90","","90","","90","","897","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 B Na O5 -","- C7 H4 B Na O5 -","- C28 H16 B4 Na4 O20 -","4","1","","Abdallah, Ahmad; Puget, Marin; Daiguebonne, Carole; Suffren, Yan; Calvez, Guillaume; Bernot, Kevin; Guillou, Olivier","A new series of lanthanide-based complexes with a bis(hydroxy)benzoxaborolone ligand: synthesis, crystal structure, and magnetic and optical properties","CrystEngComm","2020","22","11","2020","2030","10.1039/C9CE01592B","","x-ray","0.71073","MoKα","","0.0539","0.0487","","","0.1378","0.1404","","","","","","1.022","","","","has coordinates","257485","2020-10-21","18:00:00",""
"7239894","7.878","0.005","12.877","0.005","17.325","0.005","90","","90","","90","","1757.5","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N2 O5 Zn -","- C13 H9 N2 O5 Zn -","- C52 H36 N8 O20 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","1.5418","CuKα","","0.0516","0.0485","","","0.1366","0.1394","","","","","","1.083","","","","has coordinates,has disorder","247967","2020-10-21","18:00:00",""
"7239899","11.203","0.005","11.394","0.005","14.313","0.005","90","0.005","90","0.005","90","0.005","1827","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N2 O5 Zn -","- C12 H12 N2 O5 Zn -","- C48 H48 N8 O20 Zn4 -","4","1","","Moushi, E.; Kourtellaris, Andreas; Andreou, Eleni; Fidelli, Athena M.; Papaefstathiou, Giannis S.; Plakatouras, John C.; Tasiopoulos, Anastasios","New Metal Organic Frameworks Derived from pyridine-3,5-dicarboxylic acid: Structural Diversity Rising from the Addition of Templates in the Reaction Systems","CrystEngComm","2020","","","","","10.1039/C9CE02006C","","","0.71073","MoKα","","0.035","0.0315","","","0.074","0.0756","","","","","","1.052","","","","has coordinates","247967","2020-10-21","18:00:00",""
"7239903","6.6568","0.0017","11.35","0.003","16.471","0.003","90","","90","","90","","1244.5","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 N4 O -","- C15 H10 N4 O -","- C60 H40 N16 O4 -","4","1","","Su, Hao; Hao, Liang; Hussain, Wajid; Li, Zhongkui; Li, Hui","Two donor-acceptor (D-A) type Zn(II) complexes as fluorescent probes for highly selective detection of iodide","CrystEngComm","2020","","","","","10.1039/C9CE01953G","","","0.71073","MoKα","","0.1699","0.075","","","0.1514","0.178","","","","","","1.091","","","","has coordinates","247968","2020-10-21","18:00:00",""
"7239985","7.1964","0.0001","11.9878","0.0003","14.751","0.0003","90","","90","","90","","1272.55","0.04","107","5","107","5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","TR205","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Pham, Thuy Trang; Chen, Xi; Söhnel, Tilo; Yan, Ning; Sperry, Jonathan","Haber-independent, diversity-oriented synthesis of nitrogen compounds from biorenewable chitin","Green Chemistry","2020","22","6","1978","1984","10.1039/D0GC00208A","","x-ray","1.54184","CuKα","","0.029","0.0277","","","0.0719","0.0728","","","","","","1.047","","","","has coordinates","257596","2020-10-21","18:00:00",""
"7240022","6.467","0.007","7.524","0.008","16.983","0.018","90","","90","","90","","826.4","1.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H8 N4 -","- C9 H8 N4 -","- C36 H32 N16 -","4","1","","Liang, Xiaoqiang; Cao, Tingting; Wang, Li; Zheng, Changzheng; Zhao, Yamei; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","From an organic ligand to a metal‒organic coordination polymer, and to a metal‒organic coordination polymer‒cocrystal composite: a continuous promotion of the proton conductivity of crystalline materials","CrystEngComm","2020","22","8","1414","1424","10.1039/C9CE01716J","","","0.71073","MoKα","","0.0458","0.0387","","","0.1008","0.1055","","","","","","0.953","","","","has coordinates","257442","2020-10-21","18:00:00",""
"7240050","7.2347","0.0002","12.4282","0.0002","20.6075","0.0003","90","","90","","90","","1852.91","0.07","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 N O4 -","- C9 H11 N O4 -","- C72 H88 N8 O32 -","8","2","","Záborský, Ondrej; Petrovičová, Ľudmila; Doháňošová, Jana; Moncol, Ján; Fischer, Róbert","Simple and efficient synthesis of bicyclic enol-carbamates: access to brabantamides and their analogues","RSC Advances","2020","10","12","6790","6793","10.1039/D0RA00796J","","","1.54186","CuKα","","0.0269","0.0265","","","0.0717","0.0718","","","","","","1.071","","","","has coordinates","258141","2020-10-21","18:00:00",""
"7240212","6.7908","0.0001","22.7451","0.0004","32.026","0.0007","90","","90","","90","","4946.65","0.16","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H90 O3 -","- C54 H90 O3 -","- C216 H360 O12 -","4","1","","Guo, Mengfei; Zhang, Zaiyong; Chen, Zhaoqiang; Ding, Qiaoce; Lu, Liye; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","The axial chirality hidden in vitamin D and its application in cocrystal prediction","CrystEngComm","2020","","","","","10.1039/D0CE00229A","","","1.54178","CuKα","","0.0687","0.0528","","","0.1337","0.1452","","","","","","1.031","","","","has coordinates","249771","2020-10-21","18:00:00",""
"7240213","6.9042","0.0008","22.803","0.003","31.694","0.004","90","","90","","90","","4989.8","1.1","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C54 H92 O3 -","- C54 H92 O3 -","- C216 H368 O12 -","4","1","","Guo, Mengfei; Zhang, Zaiyong; Chen, Zhaoqiang; Ding, Qiaoce; Lu, Liye; Zhang, Qi; Wang, Jian-Rong; Mei, Xuefeng","The axial chirality hidden in vitamin D and its application in cocrystal prediction","CrystEngComm","2020","","","","","10.1039/D0CE00229A","","","0.71073","MoKα","","0.1245","0.0683","","","0.1497","0.1773","","","","","","1.011","","","","has coordinates","249771","2020-10-21","18:00:00",""
"7240287","7.1908","0.0004","15.8291","0.0008","20.6394","0.0011","90","","90","","90","","2349.3","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N-(Phenyl-6-deoxy-2,3,4-tri-O-methyl-β-D-glucopyranosid-6-yl)-pyridinium trifluoromethanesulfonate","","- C21 H26 F3 N O8 S -","- C21 H26 F3 N O8 S -","- C84 H104 F12 N4 O32 S4 -","4","1","","Reiß, Melanie; Brietzke, Andreas; Eickner, Thomas; Stein, Florian; Villinger, Alexander; Vogel, Christian; Kragl, Udo; Jopp, Stefan","Synthesis of novel carbohydrate based pyridinium ionic liquids and cytotoxicity of ionic liquids for mammalian cells","RSC Advances","2020","10","24","14299","14304","10.1039/D0RA01370F","","","0.71073","MoKα","","0.1011","0.0499","","","0.1001","0.1178","","","","","","1.022","","","","has coordinates","257964","2020-10-21","18:00:00",""
"7240310","6.7032","0.0006","8.5139","0.0009","22.447","0.002","90","","90","","90","","1281.1","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O S -","- C13 H14 N2 O S -","- C52 H56 N8 O4 S4 -","4","1","","Gan, Ziyu; Li, Guoqing; Yan, Qiuli; Deng, Weiseng; Jiang, Yuan-Ye; Yang, Daoshan","Visible-light-promoted oxidative desulphurisation: a strategy for the preparation of unsymmetrical ureas from isothiocyanates and amines using molecular oxygen","Green Chemistry","2020","22","9","2956","2962","10.1039/D0GC00070A","","","0.71073","MoKα","","0.1043","0.0537","","","0.0972","0.1177","","","","","","1.125","","","","has coordinates,has disorder","257617","2020-10-21","18:00:00",""
"7240357","7.6237","0.0007","9.0462","0.0008","17.654","0.0017","90","","90","","90","","1217.52","0.19","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 Bi Cl2 -","- C12 H9 Bi Cl2 -","- C48 H36 Bi4 Cl8 -","4","1","","Fritzsche, Ana-Maria; Scholz, Sebastian; Krasowska, Małgorzata; Bhattacharyya, Kalishankar; Toma, Ana Maria; Silvestru, Cristian; Korb, Marcus; Rüffer, Tobias; Lang, Heinrich; Auer, Alexander A.; Mehring, Michael","Evaluation of bismuth-based dispersion energy donors - synthesis, structure and theoretical study of 2-biphenylbismuth(iii) derivatives.","Physical chemistry chemical physics : PCCP","2020","22","18","10189","10211","10.1039/c9cp06924k","","","0.71073","MoKα","","0.0224","0.0204","","","0.0449","0.0457","","","","","","0.818","","","","has coordinates","253998","2020-10-21","18:00:00",""
"7240374","16.4079","0.0008","22.3318","0.001","43.2705","0.0019","90","","90","","90","","15855.1","1.3","120","2","120.01","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cs4.5 Mo10 Na2.5 O110.5 P4 -","- C72 H72 Cs4.5 Mo10 Na2.5 O110.5 P4 -","- C288 H288 Cs18 Mo40 Na10 O442 P16 -","4","1","","Yang, Peng; Alshankiti, Buthainah; Khashab, Niveen M.","Intrinsically porous molecular building blocks for metal organic frameworks tailored by the bridging effect of counter cations","CrystEngComm","2020","","","","","10.1039/D0CE00397B","","","0.71073","MoKα","","0.0469","0.0465","","","0.1306","0.131","","","","","","1.044","","","","has coordinates,has disorder","251064","2020-10-21","18:00:00",""
"7240401","4.1529","0.00008","11.4859","0.0002","30.5943","0.0006","90","","90","","90","","1459.34","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-fluoro-1,2-diiodo-3-[(4-methoxyphenyl)ethynyl]benzene","","- C15 H9 F I2 O -","- C15 H9 F I2 O -","- C60 H36 F4 I8 O4 -","4","1","","Al-Zoubi, Raed M.; Al-Omari, Mothana K.; Al-Jammal, Walid K.; Ferguson, Michael J.","Palladium-catalyzed highly regioselective mono and double Sonogashira cross-coupling reactions of 5-substituted-1,2,3-triiodobenzene under ambient conditions","RSC Advances","2020","10","28","16366","16376","10.1039/D0RA01569E","","","1.54178","CuKα","","0.015","0.0149","","","0.0379","0.038","","","","","","1.112","","","","has coordinates","257961","2020-10-21","18:00:00",""
"7240419","12.632","0.003","16.415","0.003","20.567","0.004","90","","90","","90","","4264.7","1.5","113","2","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10.5 H15 N12 O16.5 -","- C10.5 H15 N12 O16.5 -","- C84 H120 N96 O132 -","8","2","","Pan, Bochen; Wang, Zhanzhong; Shen, Yichun; Wei, Liangxiao; Wei, Hongyuan; Dang, Leping","Solvatomorphism and Phase Transformation of CL-20: Probing Properties and Investigating Mechanisms","CrystEngComm","2020","","","","","10.1039/D0CE00059K","","","0.71073","MoKα","","0.052","0.0426","","","0.0864","0.0918","","","","","","0.989","","","","has coordinates","251254","2020-10-21","18:00:00",""
"7240429","4.0992","0.0002","17.1619","0.0007","18.9382","0.0008","90","","90","","90","","1332.3","0.1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-(benzyloxy)-3,5-dibromobenzaldehyde","3,5-dibromo-2-(phenylmethoxy)benzaldehyde","","- C14 H10 Br2 O2 -","- C14 H10 Br2 O2 -","- C56 H40 Br8 O8 -","4","1","","Hulushe, Siya T.; Manyeruke, Meloddy H.; Louzada, Marcel; Rigin, Sergei; Hosten, Eric C.; Watkins, Gareth M.","Exploring intermolecular contacts in multi-substituted benzaldehyde derivatives: X-ray, Hirshfeld surface and lattice energy analyses","RSC Advances","2020","10","29","16861","16874","10.1039/C9RA10752E","","","0.71073","MoKα","","0.0276","0.0218","","","0.0458","0.0472","","","","","","1.042","","","","has coordinates","257956","2020-10-21","18:00:00",""
"7240452","8.4228","0.0003","10.2975","0.0003","21.9679","0.0006","90","","90","","90","","1905.36","0.1","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H30 Br N4 O11 Pd S -","- C8 H30 Br N4 O11 Pd S -","- C32 H120 Br4 N16 O44 Pd4 S4 -","4","1","","Mian, Mohammad Rasel; Afrin, Unjila; Iguchi, Hiroaki; Takaishi, Shinya; Yoshida, Takefumi; Miyamoto, Tatsuya; Okamoto, Hiroshi; Tanaka, Hisaaki; Kuroda, Shin-ichi; Yamashita, Masahiro","Conductive zigzag Pd(III)‒Br chain complex realized by multiple-hydrogen-bond approach","CrystEngComm","2020","","","","","10.1039/D0CE00332H","","","0.71073","MoKα","","0.0299","0.0255","","","0.0508","0.0519","","","","","","1.039","","","","has coordinates","251790","2020-10-21","18:00:00",""
"7240453","8.4228","0.0003","10.2975","0.0003","21.9679","0.0006","90","","90","","90","","1905.36","0.1","93","2","93","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H30 Br N4 O11 Pd S -","- C8 H30 Br N4 O11 Pd S -","- C32 H120 Br4 N16 O44 Pd4 S4 -","4","1","","Wang, Mengdie; Zhang, Jian; Sun, Yun-Kai; Wei, Jing; Tan, Chunhong; Wang, Xiao-Feng","Ligand modulated the variable binuclear Cd2-SBU and structures of four layered coordination frameworks","CrystEngComm","2020","","","","","10.1039/D0CE00513D","","","0.71073","MoKα","","0.0299","0.0255","","","0.0508","0.0519","","","","","","1.039","","","","has coordinates","251791","2020-10-21","18:00:00",""
"7240553","12.70194","0.00013","15.37677","0.00017","15.55588","0.00017","90","","90","","90","","3038.29","0.06","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","mesaconitine","","","- C33 H45 N O11 -","- C33 H45 N O11 -","- C132 H180 N4 O44 -","4","1","","Zeng, Ziyu; Qasem, Ashraf M. A.; Kociok-Köhn, Gabriele; Rowan, Michael G.; Blagbrough, Ian S.","The 1α-hydroxy-A-rings of norditerpenoid alkaloids are twisted-boat conformers","RSC Advances","2020","10","32","18797","18805","10.1039/D0RA03811C","","x-ray","1.54184","CuKα","","0.0271","0.0268","","","0.068","0.0683","","","","","","1.039","","","","has coordinates","257999","2020-10-21","18:00:00",""
"7240580","12.2814","0.0014","12.4871","0.0016","16.249","0.002","90","","90","","90","","2491.9","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 N5 O5 -","- C29 H27 N5 O5 -","- C116 H108 N20 O20 -","4","1","","Patel, Divyang M.; Patel, Hetal J.; Padrón, José M.; Patel, Hitendra M.","A novel substrate directed multicomponent reaction for the syntheses of tetrahydro-spiro[pyrazolo[4,3-f]quinoline]-8,5′-pyrimidines and tetrahydro-pyrazolo[4,3-f]pyrimido[4,5-b]quinolines via selective multiple C‒C bond formation under metal-free conditions","RSC Advances","2020","10","33","19600","19609","10.1039/D0RA02990D","","","0.71073","MoKα","","0.0661","0.0517","","","0.1406","0.152","","","","","","1.075","","","","has coordinates","258016","2020-10-21","18:00:00",""
"7240633","7.673","0.0018","15.707","0.003","24.892","0.005","90","","90","","90","","3000","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,3,6-trimethylpyridinium 2,3,5,6-tetrachlorophenolate","2,3,6-trimethylpyridinium 2,3,5,6-tetrachlorophenolate","","- C14 H13 Cl4 N O -","- C14 H13 Cl4 N O -","- C112 H104 Cl32 N8 O8 -","8","2","","Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk","Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies","CrystEngComm","2020","","","","","10.1039/D0CE00606H","","","0.71073","MoKα","","0.0484","0.0406","","","0.0796","0.0836","","","","","","1.059","","","","has coordinates","252661","2020-10-21","18:00:00",""
"7240645","7.905","0.0004","7.9314","0.0004","11.8753","0.0005","90","","90","","90","","744.55","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 N O4 P -","- C4 H10 N O4 P -","- C16 H40 N4 O16 P4 -","4","1","","Urbanovský, Peter; Kotek, Jan; Císařová, Ivana; Hermann, Petr","Selective and clean synthesis of aminoalkyl-H-phosphinic acids from hypophosphorous acid by phospha-Mannich reaction","RSC Advances","2020","10","36","21329","21349","10.1039/D0RA03075A","","","0.71073","MoKα","","0.02","0.0197","","","0.0552","0.0554","","","","","","1.09","","","","has coordinates","258120","2020-10-21","18:00:00",""
"7240678","5.2044","0.0002","14.896","0.0007","25.4784","0.001","90","","90","","90","","1975.21","0.14","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","DL-Phe-NTA","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C80 H72 N8 O16 S8 -","8","2","","Bai, Tianwen; Shen, Bo; Cai, Da; Luo, Yifan; Zhou, Peng; Xia, Jingya; Zheng, Botuo; Zhang, Ke; Xie, Rongze; Ni, Xufeng; Xu, Maosheng; Ling, Jun; Sun, Jihong","Understanding ring-closing and racemization to prepare α-amino acid NCA and NTA monomers: a DFT study.","Physical chemistry chemical physics : PCCP","2020","22","26","14868","14874","10.1039/d0cp01174f","","","0.71073","MoKα","","0.0375","0.0315","","","0.0721","0.075","","","","","","1.03","","","","has coordinates","255106","2020-10-21","18:00:00",""
"7240690","7.98857","0.00009","11.71525","0.00011","13.9964","0.00013","90","","90","","90","","1309.9","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N4 O -","- C13 H18 N4 O -","- C52 H72 N16 O4 -","4","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.6889","synchrotron","","0.0521","0.0474","","","0.1203","0.1235","","","","","","1.071","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240702","6.8313","0.0001","9.9682","0.0002","34.4021","0.0007","90","","90","","90","","2342.64","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N5 O2 -","- C25 H31 N5 O2 -","- C100 H124 N20 O8 -","4","1","","Al-Taie, Zahraa S.; Anetts, Simon R.; Christensen, Jeppe; Coles, Simon J.; Horton, Peter N.; Evans, Daniel M.; Jones, Leigh F.; de Kleijne, Frank F. J.; Ledbetter, Shaun M.; Mehdar, Yassin T. H.; Murphy, Patrick J.; Wilson, Jack A.","Proline derived guanidine catalysts forge extensive H-bonded architectures: a solution and solid state study","RSC Advances","2020","10","38","22397","22416","10.1039/C9RA07508A","","x-ray","0.71073","MoKα","K-L~3~","0.0611","0.0482","","","0.1135","0.1189","","","","","","1.049","","","","has coordinates","258138","2020-10-21","18:00:00",""
"7240722","5.3386","0.0001","9.9878","0.0002","22.3493","0.0004","90","","90","","90","","1191.68","0.04","15","2","15","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","8-hydroxyquinolinium hydrogen maleate","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Malaspina, Lorraine Andrade; Hoser, Anna A.; Edwards, Alison; Woinska, Magdalena; Turner, Michael J.; Price, Jason R.; Sugimoto, Kunihisa; Nishibori, Eiji; Burgi, Hans-Beat; Jayatilaka, Dylan; Grabowsky, Simon","Hydrogen atoms in bridging positions from quantum crystallographic refinements: Influence of hydrogen atom displacement parameters on geometry and electron density","CrystEngComm","2020","","","","","10.1039/D0CE00378F","","x-ray","0.35307","synchrotron","","0.0334","0.0334","","0.0207","0.0207","","","","1.6975","1.6975","1.6975","","","","","has coordinates,has disorder","253165","2020-10-21","18:00:00",""
"7240732","6.9949","0.0009","12.5916","0.0019","19.969","0.003","90","","90","","90","","1758.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","triamine picric acid salt, 1:1","","","- C12 H21 N7 O7 -","- C12 H21 N7 O7 -","- C48 H84 N28 O28 -","4","1","","Mathpati, Ramling S.; Dharavath, Srinivas; Kumar, Nikhil; Ghule, Vikas; Paul, Avijit Kumar; TITTAL, RAM KUMAR","Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate-anion","CrystEngComm","2020","","","","","10.1039/D0CE00772B","","","0.71073","MoKα","","0.1804","0.0686","","","0.1592","0.1967","","","","","","0.893","","","","has coordinates","253166","2020-10-21","18:00:00",""
"7240794","7.0087","0.0001","12.3981","0.0002","15.1304","0.0003","90","","90","","90","","1314.75","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5-fluorouracil L-phenylalanine","5-Fluoropyrimidine-2,4(1H,3H)-dione 2-ammonio-3-phenylpropanoate","","- C13 H14 F N3 O4 -","- C13 H14 F N3 O4 -","- C52 H56 F4 N12 O16 -","4","1","","Wang, Lin-Lin; Wang, Ling-Yang; Yu, Yueming; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei","Cocrystallization of 5-fluorouracil and L-phenylalanine: The first zwitterionic cocrystal of 5-fluorouracil with amino acid exhibiting the perfected in vitro/vivo pharmaceutical properties","CrystEngComm","2020","","","","","10.1039/D0CE00713G","","","1.54184","CuKα","","0.0344","0.032","","","0.0754","0.0775","","","","","","1.059","","","","has coordinates","253543","2020-10-21","18:00:00",""
"7240828","15.0586","0.0005","17.686","0.0007","19.2675","0.0008","90","","90","","90","","5131.4","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53.78 H57.57 Au Cl1.57 N3 S -","- C53.784 H57.568 Au Cl1.568 N3 S -","- C215.136 H230.272 Au4 Cl6.272 N12 S4 -","4","1","","Mihaly, Joseph J.; Phillips, Alexis T.; Stewart, David J.; Marsh, Zachary M.; McCleese, Christopher L.; Haley, Joy E.; Zeller, Matthias; Grusenmeyer, Tod A.; Gray, Thomas G.","Synthesis and photophysics of gold(i) alkynyls bearing a benzothiazole-2,7-fluorenyl moiety: a comparative study analyzing influence of ancillary ligand, bridging moiety, and number of metal centers on photophysical properties.","Physical chemistry chemical physics : PCCP","2020","22","21","11915","11927","10.1039/d0cp01539c","","","0.71073","MoKα","","0.0614","0.0321","","","0.0517","0.0565","","","","","","0.951","","","","has coordinates,has disorder","253764","2020-10-21","18:00:00",""
"7240852","4.1895","0.0007","11.6796","0.0019","32.919","0.005","90","","90","","90","","1610.8","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ortho-quinones with a ?click? and a pronounced structure ‒ redox ‒ biological activity relationship.","","- C21 H15 N O3 -","- C21 H15 N O3 -","- C84 H60 N4 O12 -","4","1","","Almeida, Renata G.; Valença, Wagner O.; Rosa, Luísa G.; de Simone, Carlos A.; de Castro, Solange L.; Barbosa, Juliana M. C.; Pinheiro, Daniel P.; Paier, Carlos R. K.; de Carvalho, Guilherme G. C.; Pessoa, Claudia; Goulart, Marilia O. F.; Kharma, Ammar; da Silva Júnior, Eufrânio N.","Synthesis of quinone imine and sulphur-containing compounds with antitumor and trypanocidal activities: redox and biological implications","RSC Medicinal Chemistry","2020","","","","","10.1039/D0MD00072H","","","0.71073","MoKα","","0.054","0.0447","","","0.1135","0.1191","","","","","","1.067","","","","has coordinates","254270","2020-10-21","18:00:00",""
"7240869","7.3155","0.0015","10.622","0.007","10.658","0.005","90","","90","","90","","828.2","0.7","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Acetyl-L-4-hydroxyproline","Oxaceprol","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6199","synchrotron","","0.0371","0.037","","","0.1029","0.103","","","","","","1.104","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240870","8.211","0.0004","11.111","0.0005","15.3198","0.0007","90","","90","","90","","1397.66","0.11","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.053","0.042","","","","0.053","","","","","","2.1","","","","has coordinates","288642","2024-01-03","13:53:25",""
"7240871","8.1964","0.0003","11.0921","0.0004","15.3137","0.0006","90","","90","","90","","1392.25","0.09","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.053","0.041","","","","0.061","","","","","","2.136","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240872","8.2038","0.0004","11.0818","0.0006","15.3787","0.0003","90","","90","","90","","1398.12","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","1.54178","CuKα","","0.042","0.034","","","","0.03","","","","","","1.746","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240873","7.316","0.003","10.616","0.005","10.65","0.003","90","","90","","90","","827.1","0.6","215","2","215","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Acetyl-L-4-hydroxyproline","Oxaceprol","","- C7 H11 N O4 -","- C7 H11 N O4 -","- C28 H44 N4 O16 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6199","synchrotron","","0.0579","0.0575","","","0.1345","0.135","","","","","","1.076","","","","has coordinates,has disorder","254329","2020-10-21","18:00:00",""
"7240874","8.19","0.03","11.054","0.002","15.31","0.06","90","","90","","90","","1386","7","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.46","synchrotron","","0.034","0.028","","","","0.055","","","","","","2.353","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240875","8.2041","0.001","11.1047","0.0014","15.302","0.002","90","","90","","90","","1394.1","0.3","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.066","0.036","","","","0.046","","","","","","1.581","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240876","8.217","0.0004","11.1158","0.0005","15.3418","0.0007","90","","90","","90","","1401.3","0.11","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.061","0.042","","","","0.06","","","","","","1.924","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240877","8.2601","0.0014","11.1144","0.0017","15.41","0.003","90","","90","","90","","1414.7","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.7107","MoKα","","0.065","0.037","","","","0.048","","","","","","1.783","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240879","8.21","0.004","11.1142","0.0017","15.372","0.004","90","","90","","90","","1402.7","0.8","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.6358","synchrotron","","0.024","0.023","","","","0.056","","","","","","2.345","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240880","8.174","0.004","11.08","0.006","15.295","0.01","90","","90","","90","","1385.2","1.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.4769","synchrotron","","0.077","0.048","","","","0.084","","","","","","1.372","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240881","8.184","0.009","11.092","0.009","15.296","0.008","90","","90","","90","","1389","2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Imipenem monohydrate","","- C12 H19 N3 O5 S -","- C12 H19 N3 O5 S -","- C48 H76 N12 O20 S4 -","4","1","","Dittrich, Birger; Sever, Christoph; Luebben, Jens","Disappearing Disorder","CrystEngComm","2020","","","","","10.1039/D0CE00300J","","","0.4769","synchrotron","","0.056","0.039","","","","0.065","","","","","","1.433","","","","has coordinates","288642","2024-01-03","13:53:26",""
"7240894","7.361","0.0012","16.841","0.001","19.166","0.0015","90","","90","","90","","2375.9","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 Cl2 N7 O P2 Ru -","- C18 H29 Cl2 N7 O P2 Ru -","- C72 H116 Cl8 N28 O4 P8 Ru4 -","4","1","","Battistin, Federica; Vidal, Alessio; Balducci, Gabriele; Alessio, Enzo","Investigating the reactivity of neutral water-soluble Ru(ii)‒PTA carbonyls towards the model imine ligands pyridine and 2,2′-bipyridine","RSC Advances","2020","10","45","26717","26727","10.1039/D0RA05898J","","","0.7","synchrotron","","0.0378","0.0376","","","0.1114","0.1115","","","","","","1.034","","","","has coordinates,has disorder","258128","2020-10-21","18:00:00",""
"7240904","9.424","0.0019","9.502","0.0019","20.94","0.004","90","","90","","90","","1875.1","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 N2 O4 -","- C22 H20 N2 O4 -","- C88 H80 N8 O16 -","4","1","","AL-Fayaad, Hydar; Arachchige, Kasun; Clegg, Jack Kay","A heterofunctional ligand approach for the preparation of high connectivity coordination polymers: combining a “bridge” and “pillar” in one ligand","CrystEngComm","2020","","","","","10.1039/D0CE01020K","","","0.7108","Synchrotron","","0.0439","0.0429","","","0.1121","0.1128","","","","","","1.117","","","","has coordinates","254423","2020-10-21","18:00:00",""
"7240968","7.1656","0.0003","10.9705","0.0004","17.5843","0.0006","90","","90","","90","","1382.31","0.09","120.01","0.1","120.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N4 -","- C18 H13 N4 -","- C72 H52 N16 -","4","1","","Constantinides, Christos P.; Lawson, Daniel B.; Zissimou, Georgia; Berezin, Andrey; Mailman, Aaron M.; Manoli, Maria; Kourtellaris, Andreas; Leitus, Gregory; Clerac, Rodolphe; Tuononen, Heikki M.; Koutentis, Panayiotis Andreas","Polymorphism in a π Stacked Blatter Radical: Structures and Magnetic Properties of 3-(Phenyl)-1-(pyrid-2-yl)-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl","CrystEngComm","2020","","","","","10.1039/D0CE00789G","","x-ray","1.54184","CuKα","","0.0464","0.0388","","","0.0943","0.1001","","","","","","1.04","","","","has coordinates","254718","2020-10-21","18:00:00",""
"7240988","7.7494","0.00014","8.12614","0.00016","22.7285","0.0004","90","","90","","90","","1431.28","0.05","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-2-methylbenzoic acid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","","Cruz-Cabeza, A. J.; Taylor, E.; Sugden, I. J.; Bowskill, D. H.; Wright, S. E.; Abdullahi, H.; Tulegenov, D.; Sadiq, G.; Davey, R. J.","Can solvated intermediates inform us about nucleation pathways? The case of β-pABA","CrystEngComm","2020","","","","","10.1039/D0CE00970A","","x-ray","1.54184","CuKα","","0.0284","0.0277","","","0.0732","0.0737","","","","","","1.058","","","","has coordinates","254819","2020-10-21","18:00:00",""
"7241017","10.3677","0.0003","11.6016","0.0003","23.4291","0.0006","90","","90","","90","","2818.1","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N7 O4 -","- C27 H33 N7 O4 -","- C108 H132 N28 O16 -","4","1","","Dey, Sandeep Kumar; Kataria, Archana; Pereira, Sybil; Harmalkar, Sarvesh S.; Mhaldar, Shashank; Gobre, Vivekanand V.; Janiak, Christoph","Selective encapsulation and extraction of hydrogenphosphate by a hydrogen bond donor tripodal receptor","CrystEngComm","2020","","","","","10.1039/D0CE00834F","","","0.71073","MoKα","","0.104","0.0628","","","0.1756","0.2078","","","","","","1.021","","","","has coordinates","255197","2020-10-21","18:00:00",""
"7241066","4.3451","0.0002","19.0711","0.0005","23.2876","0.0006","90","","90","","90","","1929.75","0.11","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Benzoquinoline+Dibromoacetate","14","","- C17 H13 Br4 N O4 -","- C17 H13 Br4 N O4 -","- C68 H52 Br16 N4 O16 -","4","1","","Tervola, Essi; Truong, Khai-Nghi; Ward, Jas S.; Priimagi, Arri; Rissanen, Kari","Fluorescence enhancement of quinolines by protonation","RSC Advances","2020","10","49","29385","29393","10.1039/D0RA04691D","","","0.71073","MoKα","","0.0348","0.0277","","","0.0571","0.0598","","","","","","1.023","","","","has coordinates","258123","2020-10-21","18:00:00",""
"7241068","4.8722","0.0002","16.6989","0.0006","19.354","0.0006","90","","90","","90","","1574.65","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Mn N2 O5 -","- C20 H12 Mn N2 O5 -","- C80 H48 Mn4 N8 O20 -","4","1","","Wei, Wenchang; Liu, Zheng; Wei, Runzhi; Han, Guo-Cheng; Liang, Chuxin","Synthesis of MOFs/GO composite for corrosion resistance application on carbon steel","RSC Advances","2020","10","50","29923","29934","10.1039/D0RA05690A","","","0.71073","MoKα","","0.0643","0.0435","","","0.0795","0.0883","","","","","","1.035","","","","has coordinates","258072","2020-10-21","18:00:00",""
"7241131","5.6915","0.0002","12.7636","0.0006","26.8264","0.0012","90","","90","","90","","1948.78","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H20 N2 S -","- C25 H20 N2 S -","- C100 H80 N8 S4 -","4","1","","Zhong, Ping-Fu; Lin, Hong-Min; Wang, Lin-Wei; Mo, Zu-Yu; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemically enabled synthesis of sulfide imidazopyridines via a radical cyclization cascade","Green Chemistry","2020","22","19","6334","6339","10.1039/D0GC02125C","","x-ray","0.71073","MoKα","","0.0804","0.052","","","0.1068","0.1254","","","","","","1.042","","","","has coordinates","258874","2020-11-06","12:32:14",""
"7241147","8.3081","0.0003","11.7497","0.0004","26.4644","0.0008","90","","90","","90","","2583.39","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl F2 N O4 -","- C24 H36 Cl F2 N O4 -","- C96 H144 Cl4 F8 N4 O16 -","4","1","","Babij, Nicholas R.; Choy, Nakyen; Cismesia, Megan A.; Couling, David J.; Hough, Nicole M.; Johnson, Peter L.; Klosin, Jerzy; Li, Xiaoyong; Lu, Yu; McCusker, Elizabeth O.; Meyer, Kevin G.; Renga, James M.; Rogers, Richard B.; Stockman, Kenneth E.; Webb, Nicola J.; Whiteker, Gregory T.; Zhu, Yuanming","Design and synthesis of florylpicoxamid, a fungicide derived from renewable raw materials","Green Chemistry","2020","22","18","6047","6054","10.1039/D0GC02063J","","","0.71073","MoKα","","0.0463","0.0373","","","0.0827","0.0865","","","","","","1.035","","","","has coordinates","257620","2020-10-21","18:00:00",""
"7241182","7.8466","0.0002","9.8257","0.0003","20.3107","0.0007","90","","90","","90","","1565.92","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1-methylhydantoin","1-methylimidazolidine-2,4-dione","","- C4 H6 N2 O2 -","- C4 H6 N2 O2 -","- C48 H72 N24 O24 -","12","3","","Nogueira, Bernardo Albuquerque; Milani, Alberto; Ogruc Ildiz, Gulce; Paixão, José; Castiglioni, Chiara; Fausto, Rui","Polymorphism in 1-Methylhydantoin: Investigation by Periodic DFT Calculations and Characterization of the Third Polymorph","CrystEngComm","2020","","","","","10.1039/D0CE01016B","","","0.71073","MoKα","","0.0598","0.0371","","","0.0829","0.0928","","","","","","1.045","","","","has coordinates","255909","2020-10-21","18:00:00",""
"7241224","9.61101","0.00018","10.7261","0.0002","15.5952","0.0003","90","","90","","90","","1607.69","0.05","296.63","0.16","296.63","0.16","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Zhu, Lixiang; Ren, Xiaoyu; Du, Juan; Wu, Jia-Hong; Tan, Jian-Ping; Che, Jixing; Pan, Jianke; Wang, Tianli","A transition-metal-free multicomponent reaction towards constructing chiral 2H-1,4-benzoxazine scaffolds","Green Chemistry","2020","22","21","7506","7512","10.1039/D0GC02134B","","x-ray","1.54184","CuKα","","0.0748","0.0726","","","0.1591","0.164","","","","","","1.115","","","","has coordinates","258882","2020-11-06","12:34:04",""
"7241225","8.4921","0.0002","13.5753","0.0004","15.0981","0.0005","90","","90","","90","","1740.55","0.09","295.88","0.16","295.88","0.16","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Zhu, Lixiang; Ren, Xiaoyu; Du, Juan; Wu, Jia-Hong; Tan, Jian-Ping; Che, Jixing; Pan, Jianke; Wang, Tianli","A transition-metal-free multicomponent reaction towards constructing chiral 2H-1,4-benzoxazine scaffolds","Green Chemistry","2020","22","21","7506","7512","10.1039/D0GC02134B","","x-ray","1.54184","CuKα","","0.069","0.0666","","","0.1623","0.1667","","","","","","1.116","","","","has coordinates","258882","2020-11-06","12:34:05",""
"7241236","4.9632","0.0001","9.9037","0.0003","33.603","0.0009","90","","90","","90","","1651.72","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O2 S -","- C19 H17 N O2 S -","- C76 H68 N4 O8 S4 -","4","1","","Shen, Jinhui; Yu, Aimin; Zhang, Lei; Meng, Xiangtai","Construction of benzothiophene fused pyrrolidone in water via a catalyst-free process and a mechanism study","Green Chemistry","2020","22","20","6798","6803","10.1039/D0GC01860K","","x-ray","1.54184","CuKα","","0.058","0.0466","","","0.1096","0.119","","","","","","1.061","","","","has coordinates","258878","2020-11-06","12:33:21",""
"7241279","13.94016","0.00011","20.05398","0.00018","23.6535","0.0002","90","","90","","90","","6612.47","0.1","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H51 N6 O6 -","- C66 H51 N6 O6 -","- C264 H204 N24 O24 -","4","1","","Sakagami, Ryoko; Saito, Yuuki; Mori, Ryuichi; Satake, Misa; Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Cylindrical macrocyclic compounds synthesized by connecting two bowl-shaped calix[3]aramide moieties: structures and chiroptical properties","RSC Advances","2020","10","57","34549","34555","10.1039/D0RA07060B","","","1.54187","CuKα","","0.0488","0.0443","","","0.1174","0.1209","","","","","","1.042","","","","has coordinates,has disorder","259628","2020-12-06","14:55:12",""
"7241284","6.02107","0.00003","12.63736","0.00006","23.03193","0.0001","90","","90","","90","","1752.51","0.014","170","0.12","170","0.12","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 N O3 -","- C19 H29 N O3 -","- C76 H116 N4 O12 -","4","1","","Zhao, Ru; Zeng, Bing-Lin; Jia, Wen-Qiang; Zhao, Hong-Yi; Shen, Long-Ying; Wang, Xiao-Jian; Pan, Xian-Dao","LiCl-promoted amination of β-methoxy amides (γ-lactones)","RSC Advances","2020","10","57","34938","34942","10.1039/D0RA07170F","","x-ray","1.54184","CuKα","","0.03","0.0299","","","0.0773","0.0774","","","","","","1.092","","","","has coordinates","258063","2020-10-21","18:00:00",""
"7241298","12.53","0.006","12.767","0.006","15.21","0.007","90","","90","","90","","2433","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Au Cl N2 -","- C25 H32 Au Cl N2 -","- C100 H128 Au4 Cl4 N8 -","4","1","","Zhan, Licheng; Zhang, Gengtao; Wang, Jiwei; Zhang, Jun","Syntheses of tetrahydroquinoline-based chiral carbene precursors and the related chiral NHC‒Au(i) complex","RSC Advances","2020","10","58","35253","35256","10.1039/D0RA07271K","","","0.71073","MoKα","","0.0386","0.033","","","0.0715","0.073","","","","","","0.974","","","","has coordinates","256708","2020-10-21","18:00:00",""
"7241386","8.1687","0.0006","13.9793","0.001","14.6804","0.0008","90","","90","","90","","1676.39","0.19","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H6 Ag Br4 N3 O3 -","- C10 H6 Ag Br4 N3 O3 -","- C40 H24 Ag4 Br16 N12 O12 -","4","1","","Roca, Suncica; Hok, Lucija; Vianello, Robert; Borovina, Mladen; Đaković, Marijana; Karanovic, Ljiljana; Vikic-Topic, Drazen; Popovic, Zora","The role of non-covalent intermolecular interactions on the diversity of crystal packing in the supramolecular dihalopyridine-silver(I) nitrate complexes","CrystEngComm","2020","","","","","10.1039/D0CE01257B","","x-ray","0.71073","MoKα","","0.0434","0.0327","","","0.0678","0.0723","","","","","","1.021","","","","has coordinates","258321","2020-10-21","18:00:00",""
"7241404","11.227","0.0005","11.927","0.0005","27.9572","0.0012","90","","90","","90","","3743.6","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","trans communic acid","trans communic acid","","- C20 H30 O2 -","- C20 H30 O2 -","- C160 H240 O16 -","8","2","","Colston, Kyle J.; Dille, Sara A.; Mogesa, Benjamin; Brant, Jacilynn; Nemykin, Victor N.; Zeller, Matthias; Basu, Partha","Syntheses, spectroscopic, redox, and structural properties of homoleptic Iron(III/II) dithione complexes","RSC Advances","2020","10","63","38294","38303","10.1039/D0RA07371G","","","1.54178","CuKα","","0.0538","0.0488","","","0.1306","0.1374","","","","","","1.075","","","","has coordinates","258446","2020-10-21","18:00:00",""
"7241411","11.9503","0.0006","12.9375","0.0006","19.6351","0.001","90","","90","","90","","3035.7","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 N7 S2 -","- C27 H47 N7 S2 -","- C108 H188 N28 S8 -","4","1","","Zhou, Hui; Chen, Wei; Liu, Ji-Hong; Zhang, Wen-Zhen; Lu, Xiao-Bing","Highly effective capture and subsequent catalytic transformation of low-concentration CO2 by superbasic guanidines","Green Chemistry","2020","22","22","7832","7838","10.1039/D0GC03009K","","","0.71073","MoKα","","0.0518","0.0407","","","0.0952","0.1016","","","","","","1.048","","","","has coordinates","259604","2020-12-06","14:25:43",""
"7241414","8.279","0.017","11.9","0.03","20.37","0.04","90","","90","","90","","2007","8","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Phe-Aib-OMe","","","- C19 H28 N2 O5 -","- C19 H28 N2 O5 -","- C76 H112 N8 O20 -","4","1","","Kumar, Santosh; Nandi, Sujay; Suman, Saurav; Haldar, Debasish","A new dipeptide as selective gelator of Cu(II), Zn(II), Pb(II)","CrystEngComm","2020","","","","","10.1039/D0CE01199A","","","0.71073","MoKα","","0.0873","0.0586","","","0.1296","0.146","","","","","","0.96","","","","has coordinates","258484","2020-10-21","18:00:00",""
"7241546","10.3178","0.0004","15.5879","0.0011","21.9885","0.0008","90","","90","","90","","3536.5","0.3","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 Cu5 I5 N5 S2 -","- C22 H23 Cu5 I5 N5 S2 -","- C88 H92 Cu20 I20 N20 S8 -","4","1","","Chojnacki, Jarosław; Mońka, Michał; Serdiuk, Illia E.; Bojarski, Piotr; Połoński, Tadeusz; Olszewska, Teresa","Copper(i) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence","CrystEngComm","2021","23","2","299","307","10.1039/D0CE01589J","","","0.71073","MoKα","","0.0297","0.0252","","","0.0556","0.0566","","","","","","1.065","","","","has coordinates","261621","2021-02-04","23:02:39",""
"7241561","11.7588","0.001","14.0711","0.0014","24.608","0.003","90","","90","","90","","4071.6","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","tris(1,4-diiodo-2,3,5,6-tetrafluorobenzene) bis(tetramethylammonium iodide) cocrystal","","","- C26 H24 F12 I8 N2 -","- C26 H24 F12 I8 N2 -","- C104 H96 F48 I32 N8 -","4","1","","Peloquin, Andrew J.; Kobra, Khadijatul; McMillen, Colin D.; Iacono, Scott T.; Pennington, William T.","Isolation of hydrazine oxidation products via halogen bonding: C‒I bond scission and crystal polymorphism","CrystEngComm","2021","23","2","419","426","10.1039/D0CE01568G","","","0.71073","MoKα","","0.0367","0.034","","","0.08","0.0818","","","","","","1.037","","","","has coordinates","261615","2021-02-04","23:00:56",""
"7241597","5.896","0.0012","8.913","0.0018","36.162","0.007","90","","90","","90","","1900.4","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N3 -","- C23 H22 F N3 -","- C92 H88 F4 N12 -","4","1","","Guo, Shengmei; Zhang, Yuyang; Huang, Jianyan; Kong, Lin; Yang, Jiaxiang","High dual-state blue emission of a functionalized pyrazoline derivative for picric acid detection","CrystEngComm","2021","23","1","221","226","10.1039/D0CE01195A","","","0.71073","MoKα","","0.0759","0.0552","","","0.1056","0.1131","","","","","","1.124","","","","has coordinates","261591","2021-02-04","22:56:28",""
"7241606","7.825","0.002","16.685","0.005","21.993","0.006","90","","90","","90","","2871.4","1.4","220","","220","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","colchicine","","- C32 H33 N O9 S -","- C32 H33 N O9 S -","- C128 H132 N4 O36 S4 -","4","1","","Ma, Xiaoyu; Zhu, Bingqing; Yang, Zeen; Jiang, Yuhang; Mei, Xuefeng","Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring","CrystEngComm","2021","23","1","30","34","10.1039/D0CE01551B","","","0.71073","MoKα","","0.1094","0.0524","","","0.0944","0.116","","","","","","1.015","","","","has coordinates","261584","2021-02-04","22:54:02",""
"7241629","12.0282","0.0003","14.464","0.0004","24.0974","0.0008","90","","90","","90","","4192.4","0.2","100","2","100","2","","","","","","","Streptomyces sp DASNCL29","3","P 21 21 21","P 2ac 2ab","19","","NIGERICIN","","- C40 H68 O11 -","- C40 H70 O12 -","- C160 H280 O48 -","4","1","","Sahu, Amit Kumar; Said, Madhukar S.; Hingamire, Tejashri; Gaur, Megha; Khan, Abujunaid; Shanmugam, Dhanasekaran; Barvkar, Vitthal T.; Dharne, Mahesh S.; Bharde, Atul A.; Dastager, Syed G.","Approach to nigericin derivatives and their therapeutic potential","RSC Advances","2020","10","70","43085","43091","10.1039/D0RA05137C","","","0.71073","MoKα","","0.0428","0.0416","","","0.1238","0.125","","","","","","1.197","","","","has coordinates","259347","2020-11-30","04:59:50",""
"7241637","6.8111","0.0003","7.3881","0.0003","27.5932","0.001","90","","90","","90","","1388.52","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Palai, Bibhuti Bhusana; Sharma, Nagendra K.","N-Arylated peptide: troponyl residue influences the structure and conformation of N-troponylated-(di/tri)-peptides","CrystEngComm","2021","23","1","131","139","10.1039/D0CE01386B","","","0.71073","MoKα","","0.0808","0.042","","","0.0923","0.1083","","","","","","1.015","","","","has coordinates","261587","2021-02-04","22:55:07",""
"7241650","9.5873","0.0006","12.2766","0.0008","12.9471","0.0008","90","","90","","90","","1523.87","0.17","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 F6 O P Ru -","- C14 H17 F6 O P Ru -","- C56 H68 F24 O4 P4 Ru4 -","4","1","","Mochida, Tomoyuki; Sumitani, Ryo; Yamazoe, Tomoaki","Thermal properties, crystal structures, and phase diagrams of ionic plastic crystals and ionic liquids containing a chiral cationic sandwich complex.","Physical chemistry chemical physics : PCCP","2020","22","44","25803","25810","10.1039/d0cp04870d","","","0.71073","MoKα","","0.0145","0.0144","","","0.0364","0.0364","","","","","","1.147","","","","has coordinates","259567","2020-12-05","21:11:55",""
"7241676","7.011","0.0001","9.8156","0.0001","17.0473","0.0002","90","","90","","90","","1173.15","0.02","160","0.1","160","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Cl N O2 -","- C11 H14 Cl N O2 -","- C44 H56 Cl4 N4 O8 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0693","0.0678","","","0.199","0.2025","","","","","","1.101","","","","has coordinates","259587","2020-12-06","08:41:46",""
"7241677","7.7267","0.0002","13.0423","0.0003","36.875","0.0009","90","","90","","90","","3716.04","0.16","140","1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N O4 S -","- C21 H16 Cl N O4 S -","- C168 H128 Cl8 N8 O32 S8 -","8","2","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0726","0.0649","","","0.1724","0.1832","","","","","","1.056","","","","has coordinates","259587","2020-12-06","08:41:46",""
"7241678","5.14553","0.00005","8.93108","0.00011","40.8075","0.0005","90","","90","","90","","1875.31","0.04","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Cl N2 O4 -","- C23 H17 Cl N2 O4 -","- C92 H68 Cl4 N8 O16 -","4","1","","Leduskrasts, Kaspars; Suna, Edgars","Aggregation induced emission in one easy step: pyridinium AIEgens and counter ion effect","RSC Advances","2020","10","62","38107","38113","10.1039/D0RA07137D","","x-ray","1.54184","CuKα","","0.0318","0.0317","","","0.0844","0.0845","","","","","","1.041","","","","has coordinates","259587","2020-12-06","08:41:48",""
"7241704","6.27149","0.0001","13.8374","0.0003","14.1502","0.0002","90","","90","","90","","1227.97","0.04","170","2","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-2-Isopropyl-1-tosylaziridine","","- C12 H17 N O2 S -","- C12 H17 N O2 S -","- C48 H68 N4 O8 S4 -","4","1","","Scholten, Kevin; Engelage, Elric; Merten, Christian","Basis set dependence of S[double bond, length as m-dash]O stretching frequencies and its consequences for IR and VCD spectra predictions.","Physical chemistry chemical physics : PCCP","2020","22","48","27979","27986","10.1039/d0cp05420h","","x-ray","1.54184","CuKα","","0.0325","0.0315","","","0.0833","0.084","","","","","","1.073","","","","has coordinates","260827","2021-01-07","07:12:42",""
"7241747","14.6814","0.0003","17.4409","0.0004","17.6486","0.0004","90","","90","","90","","4519.04","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 Cd3 N18 S6 -","- C28 H52 Cd3 N18 S6 -","- C112 H208 Cd12 N72 S24 -","4","1","","Adhikari, Suman; Bhattacharjee, Tirtha; Das, Arijit; Roy, Subhadip; Daniliuc, Constantin Gabriel; Zaręba, Jan K.; Bauzá, Antonio; Frontera, Antonio","On the supramolecular properties of neutral, anionic and cationic cadmium complexes harvested from dithiolate‒polyamine binary ligand systems","CrystEngComm","2020","22","46","8023","8035","10.1039/D0CE01233E","","","1.54178","CuKα","","0.0347","0.0313","","","0.0711","0.0729","","","","","","1.064","","","","has coordinates,has disorder","259734","2020-12-10","03:37:59",""
"7241773","11.8817","0.0005","13.9512","0.0006","30.8666","0.0013","90","","90","","90","","5116.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H46 Cl10 N4 O4 -","- C54 H46 Cl10 N4 O4 -","- C216 H184 Cl40 N16 O16 -","4","1","","Tominaga, Masahide; Hyodo, Tadashi; Hikami, Yuya; Yamaguchi, Kentaro","Solvent-dependent alignments and halogen-related interactions in inclusion crystals of adamantane-based macrocycle with pyridazine moieties","CrystEngComm","2021","23","2","436","442","10.1039/D0CE01576H","","","1.54178","CuKα","","0.1019","0.0584","","","0.1336","0.1537","","","","","","1.03","","","","has coordinates,has disorder","261613","2021-02-04","23:00:33",""
"7241957","6.7041","0.0008","11.8458","0.001","30.358","0.004","90","","90","","90","","2410.9","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N5 O7 S -","- C24 H33 N5 O7 S -","- C96 H132 N20 O28 S4 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.107","0.0569","","","0.1036","0.1164","","","","","","0.952","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7241958","6.7095","0.0004","11.8584","0.0006","30.4373","0.0015","90","","90","","90","","2421.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N5 O7 S -","- C24 H33 N5 O7 S -","- C96 H132 N20 O28 S4 -","4","1","","Zábranský, Martin; Alves, Paula C.; Bravo, Catarina; Duarte, M. Teresa; André, Vânia","From pipemidic acid molecular salts to metal complexes and BioMOFs using mechanochemistry","CrystEngComm","2021","23","5","1099","1109","10.1039/D0CE01533D","","","0.71073","MoKα","","0.1178","0.0607","","","0.1155","0.131","","","","","","0.957","","","","has coordinates","262570","2021-03-05","01:45:54",""
"7242031","6.7479","0.0003","13.9428","0.0007","22.927","0.0009","90","","90","","90","","2157.08","0.17","294","2","294","2","","","","","","","slow evaporation of acetonitrile solution of 2; see text","4","P 21 21 21","P 2ac 2ab","19","UCS1025B acetonitrile solvate","(2aR,7R,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7,7b-dihydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione acetonitrile solvate","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","1","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Insight into non-covalent interactions in two triamine-based mononuclear iron(iii) Schiff base complexes with special emphasis on the formation of Br⋯π halogen bonding","CrystEngComm","2021","23","7","1578","1587","10.1039/D0CE01534B","","","1.54184","CuKα","","0.0526","0.0498","","0.1448","0.1411","","","","1.075","1.089","1.089","","","","","has coordinates","262584","2021-03-05","01:48:16",""
"7242111","4.8722","0.0002","16.6989","0.0006","19.354","0.0006","90","","90","","90","","1574.65","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Mn N2 O5 -","- C20 H12 Mn N2 O5 -","- C80 H48 Mn4 N8 O20 -","4","1","","Chen, Zesheng; He, Kun-huan; Wei, Runzhi; Lv, Yiju; Liu, Zheng; Han, Guo-Cheng","Synthesis of Mn-MOFs loaded zinc phosphate composite for water-based acrylic coatings with durable anticorrosion performance on mild steel","RSC Advances","2021","11","6","3371","3379","10.1039/D0RA09753E","","","0.71073","MoKα","","0.0643","0.0435","","","0.0795","0.0883","","","","","","1.035","","","","has coordinates","261021","2021-01-17","04:48:32",""
"7242156","11.5492","0.0004","12.424","0.0003","21.6851","0.0006","90","","90","","90","","3111.54","0.16","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 N10 Ni2 O5 -","- C26 H40 N10 Ni2 O5 -","- C104 H160 N40 Ni8 O20 -","4","1","","Khan, Samim; Dutta, Tamal; Cortijo, Miguel; González-Prieto, Rodrigo; Drew, Michael G. B.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Phenoxido mediated antiferromagnetic and azide mediated ferromagnetic coupling in two dinuclear ferromagnetic nickel(ii) complexes with isomeric Schiff bases: a theoretical insight on the pathway of magnetic interaction","CrystEngComm","2021","23","9","1942","1952","10.1039/D0CE01861A","","","0.71073","MoKα","","0.0275","0.026","","","0.0555","0.056","","","","","","1.063","","","","has coordinates","263727","2021-04-05","14:34:50",""
"7242166","16.369","0.003","17.804","0.003","25.19","0.007","90","","90","","90","","7341","3","168","2","168","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C64 H52 Ba3 N2 O16 -","- C64 H52 Ba3 N2 O16 -","- C256 H208 Ba12 N8 O64 -","4","1","","Wang, Meng; Liu, Jiao; Jin, Jing; Wu, Dan; Yang, Guoping; Zhang, Wen-Yan; Wang, Yao-Yu","A new 3D luminescent Ba-organic framework with high open metal sites: CO2 fixation, luminescence sensing, and dye sorption","CrystEngComm","2021","23","3","663","670","10.1039/D0CE01604G","","","0.71073","MoKα","","0.0356","0.0341","","","0.1067","0.1082","","","","","","1.077","","","","has coordinates","261246","2021-01-27","02:40:29",""
"7242205","9.45","0.008","10.573","0.01","28.94","0.02","90","","90","","90","","2892","4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TEA2VBH","Bis-tetraethylammonium vanadium(iv)bis-hydroxyiminodiacetate","","- C24 H50 N4 O11 V -","- C24 H50 N4 O11 V -","- C96 H200 N16 O44 V4 -","4","1","","Pahari, Shyam K.; Gokoglan, Tugba Ceren; Visayas, Benjoe Rey B.; Woehl, Jennifer; Golen, James A.; Howland, Rachael; Mayes, Maricris L.; Agar, Ertan; Cappillino, Patrick J.","Designing high energy density flow batteries by tuning active-material thermodynamics","RSC Advances","2021","11","10","5432","5443","10.1039/D0RA10913D","","","0.71073","MoKα","","0.0368","0.0323","","","0.0722","0.074","","","","","","1.054","","","","has coordinates","261335","2021-01-31","05:08:51",""
"7242240","12.428","0.003","13.933","0.003","18.288","0.004","90","","90","","90","","3166.7","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H50 Ca N2 O15 -","- C22 H50 Ca N2 O15 -","- C88 H200 Ca4 N8 O60 -","4","1","","Han, Dandan; Du, Shichao; Wu, Songgu; Ouyang, Ruiling; Gong, Junbo","Optimizing the morphology of calcium d-pantothenate by controlling phase transformation processes","CrystEngComm","2021","23","10","2162","2173","10.1039/D0CE01803A","","","0.71073","MoKα","","0.1205","0.0777","","","0.1636","0.1847","","","","","","1.031","","","","has coordinates","263718","2021-04-05","14:32:58",""
"7242298","7.9048","0.0001","11.2276","0.0001","19.3205","0.0002","90","","90","","90","","1714.73","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O4 -","- C17 H26 N2 O4 -","- C68 H104 N8 O16 -","4","1","","Li, Yiming; Wang, Yuhong; Yang, Tilong; Lin, Zhenyang; Jiang, Xuefeng","Selenium-catalyzed intramolecular atom- and redox-economical transformation of o-nitrotoluenes into anthranilic acids","Green Chemistry","2021","23","8","2986","2991","10.1039/D0GC04407E","","x-ray","1.54184","CuKα","","0.0277","0.0273","","","0.071","0.0712","","","","","","1.037","","","","has coordinates","264909","2021-05-05","08:48:33",""
"7242330","8.5976","0.0008","10.8141","0.0009","15.2294","0.0014","90","","90","","90","","1416","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","1","","Du, Wu-Bo; Wang, Ning-Ning; Pan, Chao; Ni, Shao-Fei; Wen, Li-Rong; Li, Ming; Zhang, Lin-Bao","Regio- and stereoselective electrochemical synthesis of sulfonylated enethers from alkynes and sulfonyl hydrazides","Green Chemistry","2021","23","6","2420","2426","10.1039/D1GC00027F","","","0.71073","MoKα","","0.085","0.0577","","","0.1067","0.1143","","","","","","1.022","","","","has coordinates","263798","2021-04-05","15:05:32",""
"7242346","6.942","0.0008","10.4314","0.0012","16.881","0.002","90","","90","","90","","1222.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2S,3R,4S)-(+)-1,7,7-trimethyl-3-(propa-1,2-dien-lyl)bicyclo[2.2.1]heptane-2,3-diol","","- C13 H20 O2 -","- C10.4 H16 O1.6 -","- C52 H80 O8 -","5","1.25","","Rao, H. Surya Prakash; Saha, Ahana; Vijjapu, Satish","Studies in the rearrangement reactions involving camphorquinone","RSC Advances","2021","11","13","7180","7186","10.1039/D0RA09839F","","","0.71073","MoKα","","0.1013","0.0542","","","0.0975","0.1209","","","","","","1.075","","","","has coordinates","262464","2021-03-04","23:46:13",""
"7242353","5.3651","0.0003","9.6939","0.0005","42.693","0.003","90","","90","","90","","2220.4","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C24 H32 O3 -","- C96 H128 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.067","0.0627","","","0.166","0.1686","","","","","","1.037","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242355","7.0826","0.0002","16.1438","0.0004","20.5765","0.0005","90","","90","","90","","2352.72","0.11","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 O3 -","- C25 H34 O3 -","- C100 H136 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0737","0.0712","","","0.214","0.2179","","","","","","1.087","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242357","6.6418","0.0001","15.8771","0.0003","20.7515","0.0004","90","","90","","90","","2188.3","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 O3 -","- C23.9998 H31.9995 O2.9999 -","- C95.9992 H127.998 O11.9996 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0413","0.0405","","","0.1162","0.1174","","","","","","1.033","","","","has coordinates,has disorder","268680","2021-09-06","10:31:09",""
"7242358","6.4082","0.0005","15.89","0.0013","20.4115","0.0016","90","","90","","90","","2078.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0419","0.0414","","","0.1156","0.1164","","","","","","1.044","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242359","5.6104","0.0002","9.8196","0.0004","43.1042","0.0017","90","","90","","90","","2374.69","0.16","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O3 -","- C26 H36 O3 -","- C104 H144 O12 -","4","1","","Khandavilli, Udaya B. Rao; Buckley, Aoife M.; Maguire, Anita R.; Kiran, Mangalampalli S. R. N.; Ramamurty, Upadrasta; Lawrence, Simon E.","Epimers with distinct mechanical behaviours","CrystEngComm","2021","23","34","5848","5855","10.1039/D0CE01723J","","","1.54178","CuKα","","0.0461","0.0452","","","0.1146","0.1152","","","","","","1.111","","","","has coordinates","268680","2021-09-06","10:31:09",""
"7242373","6.3282","0.0008","9.8266","0.0012","39.383","0.005","90","","90","","90","","2449","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O -","- C27 H33 N O -","- C108 H132 N4 O4 -","4","1","","Ishizaki, Kazuki; Sugimoto, Ryota; Hagiwara, Yuki; Koshima, Hideko; Taniguchi, Takuya; Asahi, Toru","Actuation performance of a photo-bending crystal modeled by machine learning-based regression","CrystEngComm","2021","23","34","5839","5847","10.1039/D1CE00208B","","","0.71075","MoKα","","0.1083","0.0589","","","0.131","0.1545","","","","","","1","","","","has coordinates,has disorder","268696","2021-09-06","10:34:19",""
"7242388","16.404","0.0017","16.5999","0.0019","29.998","0.004","90","","90","","90","","8168.6","1.7","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H102 F N7 O8 S4 -","- C72 H102 F N7 O8 S4 -","- C288 H408 F4 N28 O32 S16 -","4","1","","Luo, Na; Li, Junhong; Sun, Tao; Wan, Suran; Li, Peijia; Wu, Nan; Yan, Ya; Bao, Xiaoping","Carbazole sulfonamide-based macrocyclic receptors capable of selective complexation of fluoride ion","RSC Advances","2021","11","17","10203","10211","10.1039/D1RA01285A","","x-ray","1.54178","CuKα","","0.1309","0.0803","","","0.2048","0.2396","","","","","","1.018","","","","has coordinates,has disorder","262988","2021-03-11","05:32:32",""
"7242389","18.5696","0.0004","26.4247","0.0006","6.5248","0.0001","90","","90","","90","","3201.69","0.11","150.03","","150.03","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N3 O4 S2 -","- C28 H33 N3 O4 S2 -","- C112 H132 N12 O16 S8 -","4","1","","Luo, Na; Li, Junhong; Sun, Tao; Wan, Suran; Li, Peijia; Wu, Nan; Yan, Ya; Bao, Xiaoping","Carbazole sulfonamide-based macrocyclic receptors capable of selective complexation of fluoride ion","RSC Advances","2021","11","17","10203","10211","10.1039/D1RA01285A","","x-ray","1.54178","CuKα","","0.0879","0.0834","","","0.2191","0.224","","","","","","1.082","","","","has coordinates,has disorder","262988","2021-03-11","05:32:33",""
"7242500","8.91118","0.00016","11.0174","0.0002","15.8907","0.0011","90","","90","","90","","1560.12","0.12","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Ismiyarto,; Kishi, Nobuki; Adachi, Yuki; Jiang, Rui; Doi, Takahiro; Zhou, Da-Yang; Asano, Kaori; Obora, Yasushi; Suzuki, Takayoshi; Sasai, Hiroaki; Suzuki, Takeyuki","Catalytic enantioselective intramolecular Tishchenko reaction of meso-dialdehyde: synthesis of (S)-cedarmycins","RSC Advances","2021","11","19","11606","11609","10.1039/D1RA00915J","","","1.54187","CuKα","","0.0342","0.0319","","","0.0698","0.0707","","","","","","1.09","","","","has coordinates","263233","2021-03-23","05:38:14",""
"7242509","5.7323","0.0003","9.019","0.0005","17.3597","0.001","90","","90","","90","","897.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C24 H48 O24 -","8","2","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0304","0.0283","","","0.0707","0.0717","","","","","","1.051","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242510","5.4954","0.0004","8.4298","0.0005","9.3517","0.0006","90","","90","","90","","433.22","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C12 H24 O12 -","4","1","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0254","0.0253","","","0.0707","0.0708","","","","","","1.059","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242511","5.759","0.003","5.772","0.003","12.492","0.007","90","","90","","90","","415.2","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 O3 -","- C3 H6 O3 -","- C12 H24 O12 -","4","1","","Yang, Jingxiang; Hu, Chunhua T.; Reiter, Ethan; Kahr, Bart","Ambient l-lactic acid crystal polymorphism","CrystEngComm","2021","23","14","2644","2647","10.1039/D1CE00285F","","","0.71073","MoKα","","0.0614","0.0493","","","0.1184","0.1226","","","","","","1.063","","","","has coordinates","265977","2021-06-05","18:15:59",""
"7242586","5.8505","0.0012","11.594","0.002","16.205","0.003","90","","90","","90","","1099.2","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.0888","0.0767","","","0.1348","0.1387","","","","","","1.23","","","","has coordinates","263545","2021-04-02","04:26:37",""
"7242590","5.1638","0.0003","19.306","0.0012","27.209","0.002","90","","90","","90","","2712.5","0.3","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ORGANIC","","","- C128 H120 N8 O24 -","- C128 H120 N8 O24 -","- C128 H120 N8 O24 -","1","0.25","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.2041","0.0621","","","0.1019","0.1476","","","","","","0.994","","","","has coordinates","263545","2021-04-02","04:26:38",""
"7242591","14.406","0.003","16.682","0.003","25.02","0.005","90","","90","","90","","6013","2","133","2","133.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34.5 N5.5 O7 S2 -","- C22 H34.5 N5.5 O7 S2 -","- C176 H276 N44 O56 S16 -","8","2","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","","0.71073","MoKα","","0.0488","0.0465","","","0.1222","0.1241","","","","","","1.018","","","","has coordinates","265957","2021-06-05","18:11:01",""
"7242593","14.1543","0.0003","16.755","0.0004","23.7148","0.0006","90","","90","","90","","5624.1","0.2","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H70 N8 O16 S4 -","- C41 H70 N8 O16 S4 -","- C164 H280 N32 O64 S16 -","4","1","","Liu, Wanying; Hou, Baohong; Huang, Xin; Zong, Shuyi; Zheng, Zhixin; Li, Shuyu; Zhao, Bugui; Liu, Songqiang; Zhou, Lina; Hao, Hongxun","Influence of intermolecular interactions and crystal structure on desolvation mechanisms of solvates","CrystEngComm","2021","23","19","3557","3568","10.1039/D1CE00284H","","x-ray","0.71073","MoKα","","0.046","0.042","","","0.1043","0.1066","","","","","","1.039","","","","has coordinates,has disorder","265957","2021-06-05","18:11:02",""
"7242616","8.3048","0.0001","9.2603","0.0002","27.0823","0.0007","90","","90","","90","","2082.76","0.07","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Br O2 -","- C10 H13 Br O2 -","- C80 H104 Br8 O16 -","8","2","","Li, Jing; Shi, Yian","Catalytic enantioselective bromohydroxylation of cinnamyl alcohols","RSC Advances","2021","11","22","13040","13046","10.1039/D1RA02297K","","x-ray","0.71073","MoKα","","0.0257","0.0229","","","0.0499","0.0507","","","","","","1.013","","","","has coordinates","263964","2021-04-08","04:24:32",""
"7242617","10.45924","0.00004","10.51707","0.00004","22.10012","0.00008","90","","90","","90","","2431.03","0.016","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Br2 Cl2 O4 -","- C22 H28 Br2 Cl2 O4 -","- C88 H112 Br8 Cl8 O16 -","4","1","","Li, Jing; Shi, Yian","Catalytic enantioselective bromohydroxylation of cinnamyl alcohols","RSC Advances","2021","11","22","13040","13046","10.1039/D1RA02297K","","x-ray","1.54184","CuKα","","0.0174","0.0174","","","0.0432","0.0432","","","","","","1.08","","","","has coordinates","263964","2021-04-08","04:24:32",""
"7242737","8.902","0.0003","9.3994","0.0004","21.8511","0.0008","90","","90","","90","","1828.36","0.12","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 N O7 -","- C16 H29 N O7 -","- C64 H116 N4 O28 -","4","1","","Weber, Patrick; Fischer, Roland; Nasseri, Seyed A.; Stütz, Arnold E.; Thonhofer, Martin; Withers, Stephen G.; Wolfsgruber, Andreas; Wrodnigg, Tanja M.","New α-galactosidase-inhibiting aminohydroxycyclopentanes","RSC Advances","2021","11","26","15943","15951","10.1039/D1RA02507D","","x-ray","0.71073","MoKα","","0.0353","0.0305","","","0.0729","0.0759","","","","","","1.034","","","","has coordinates","264718","2021-04-30","04:25:07",""
"7242749","10.4922","0.0007","10.59","0.0007","15.1072","0.001","90","","90","","90","","1678.6","0.19","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Co N5 O7 -","- C14 H16 Co N5 O7 -","- C56 H64 Co4 N20 O28 -","4","1","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.04","0.0308","","","0.0738","0.0776","","","","","","1.039","","","","has coordinates","264851","2021-05-05","04:10:43",""
"7242771","3.8711","0.0003","11.149","0.001","32.557","0.003","90","","90","","90","","1405.1","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","E-ArF2","","- C17 H12 F2 N2 O -","- C17 H12 F2 N2 O -","- C68 H48 F8 N8 O4 -","4","1","","Giri, Prasenjit; Mazumder, Abhrojyoti; Dey, Dibyendu; Garani, Souvik; Raveendran, Anju; Panda, Manas K.","Light-fueled rapid macroscopic motion of a green fluorescent organic crystal","CrystEngComm","2021","23","34","5876","5881","10.1039/D1CE00460C","","","0.71073","MoKα","","0.0487","0.0396","","","0.1265","0.141","","","","","","1.196","","","","has coordinates","268693","2021-09-06","10:33:19",""
"7242776","10.866","0.0005","12.6977","0.0006","15.5356","0.0007","90","","90","","90","","2143.5","0.17","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N4 O5 -","- C22 H26 N4 O5 -","- C88 H104 N16 O20 -","4","1","","Karnoukhova, Valentina A.; Baranov, Vladimir V.; Vologzhanina, Anna V.; Kravchenko, Angelina N.; Fedyanin, Ivan V.","Self-organization of 1,6-dialkyl-3a,6a-diphenylglycolurils in the crystalline state","CrystEngComm","2021","23","24","4312","4319","10.1039/D1CE00434D","","","0.71073","MoKα","","0.0405","0.0353","","","0.0936","0.0989","","","","","","1.014","","","","has coordinates","267105","2021-07-05","17:06:25",""
"7242817","10.6221","0.001","13.075","0.003","13.3414","0.0014","90","","90","","90","","1852.9","0.5","159.99","0.1","159.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium","","","- C16 H18 N3 Na O5 S -","- C16 H18 N3 Na O5 S -","- C64 H72 N12 Na4 O20 S4 -","4","1","","Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao","Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism","CrystEngComm","2021","23","22","3995","4004","10.1039/D1CE00435B","","x-ray","1.54184","CuKα","","0.0796","0.0556","","","0.124","0.137","","","","","","1.022","","","","has coordinates,has disorder","267109","2021-07-05","17:07:10",""
"7242818","9.9361","0.0007","15.3223","0.001","15.6894","0.0009","90","","90","","90","","2388.6","0.3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium solvate","","","- C20 H28 N3 Na O8 S -","- C20 H28 N3 Na O8 S -","- C80 H112 N12 Na4 O32 S4 -","4","1","","Cui, Pingping; Yin, Qiuxiang; Zhang, Shihao; Yang, Wenchao; Jia, Lihong; Dai, Jiayu; Zhou, Ling; Wang, Zhao","Insight into amoxicillin sodium heterosolvates and non-solvated form: crystal structures, phase transformation behaviors, and desolvation mechanism","CrystEngComm","2021","23","22","3995","4004","10.1039/D1CE00435B","","x-ray","0.71073","MoKα","","0.0898","0.0659","","","0.1329","0.1516","","","","","","1.056","","","","has coordinates","267109","2021-07-05","17:07:10",""
"7242835","10.6221","0.001","13.075","0.003","13.3414","0.0014","90","","90","","90","","1852.9","0.5","159.99","0.1","159.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium","","","- C16 H18 N3 Na O5 S -","- C16 H18 N3 Na O5 S -","- C64 H72 N12 Na4 O20 S4 -","4","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","x-ray","1.54184","CuKα","","0.0796","0.0556","","","0.124","0.137","","","","","","1.022","","","","has coordinates,has disorder","268690","2021-09-06","10:32:56",""
"7242836","9.9361","0.0007","15.3223","0.001","15.6894","0.0009","90","","90","","90","","2388.6","0.3","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","amoxicillin sodium solvate","","","- C20 H28 N3 Na O8 S -","- C20 H28 N3 Na O8 S -","- C80 H112 N12 Na4 O32 S4 -","4","1","","Peng, Shuang; Qi, Yan-Jie; Li, Xin-Hao; Sun, Cai; Li, Ling-Yun; Li, Xin-Xiong; Zheng, Shou-Tian; Zhang, Qichun","Two isomeric zeolite-like metal‒organic frameworks with mechanically responsive luminescence emission and gas adsorption properties","CrystEngComm","2021","23","34","5753","5757","10.1039/D1CE00464F","","x-ray","0.71073","MoKα","","0.0898","0.0659","","","0.1329","0.1516","","","","","","1.056","","","","has coordinates","268690","2021-09-06","10:32:57",""
"7242841","8.3329","0.0003","8.5627","0.0003","21.7172","0.0007","90","","90","","90","","1549.57","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl2 N2 -","- C16 H16 Cl2 N2 -","- C64 H64 Cl8 N8 -","4","1","","Zamisa, Sizwe J.; Bongoza, Unathi; Omondi, Bernard","Predicting molecular isomerism of symmetrical and unsymmetrical N,N′-diphenyl formamidines in the solid-state: crystal structure, Hirshfeld surface analysis, pairwise interaction energy, and ΔHfusion and ΔSfusion correlations","CrystEngComm","2021","23","25","4459","4474","10.1039/D1CE00458A","","x-ray","0.71073","MoKα","","0.0339","0.03","","","0.0716","0.0746","","","","","","1.038","","","","has coordinates","267121","2021-07-05","17:10:28",""
"7242854","5.9222","0.0017","13.176","0.004","26.122","0.008","90","","90","","90","","2038.3","1.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0737","0.0467","","","0.0863","0.0917","","","","","","1.036","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242855","7.8376","0.0016","10.864","0.002","24.59","0.005","90","","90","","90","","2093.8","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O5 S -","- C21 H20 Br N O5 S -","- C84 H80 Br4 N4 O20 S4 -","4","1","","Zhou, Yanan; Ma, Hongzhi; Yang, Zhongxing; Wu, Chengjun; Sun, Tiemin","A systematic investigation on the impact of the level of oxidation at sulfur and the configuration of R/S-sulfoxide on the solid structure","CrystEngComm","2021","23","23","4181","4193","10.1039/D1CE00346A","","","0.71073","MoKα","","0.0603","0.0453","","","0.1011","0.1058","","","","","","1.027","","","","has coordinates","267128","2021-07-05","17:12:11",""
"7242862","22.6762","0.0012","24.9574","0.0012","32.1099","0.0016","90","","90","","90","","18172.2","1.6","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C115 H73 Cl7 Co14 N40 O18 S12 -","- C115 H73 Cl7 Co14 N40 O18 S12 -","- C460 H292 Cl28 Co56 N160 O72 S48 -","4","1","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.0644","0.0435","","","0.1087","0.119","","","","","","0.984","","","","has coordinates","267103","2021-07-05","17:05:47",""
"7242886","10.0606","0.0015","20.736","0.003","22.81","0.003","90","","90","","90","","4758.5","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C63 H52 N2 O4 -","- C63 H52 N2 O4 -","- C252 H208 N8 O16 -","4","1","","Kodama, Koichi; Takase, Fusato; Hirose, Takuji","Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents","RSC Advances","2021","11","30","18162","18170","10.1039/D1RA03546K","","","0.71073","MoKα","","0.0797","0.0419","","","0.0754","0.0858","","","","","","0.794","","","","has coordinates","265356","2021-05-20","04:24:56",""
"7242888","10.6751","0.0015","12.6375","0.0017","23.647","0.003","90","","90","","90","","3190.1","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 N2 O2 -","- C40 H44 N2 O2 -","- C160 H176 N8 O8 -","4","1","","Kodama, Koichi; Takase, Fusato; Hirose, Takuji","Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents","RSC Advances","2021","11","30","18162","18170","10.1039/D1RA03546K","","","0.71073","MoKα","","0.0523","0.0416","","","0.0901","0.0936","","","","","","0.95","","","","has coordinates","265356","2021-05-20","04:24:56",""
"7242890","5.9524","0.0006","10.0773","0.0009","17.1337","0.0014","90","","90","","90","","1027.75","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 N3 -","- C13 H11 N3 -","- C52 H44 N12 -","4","1","","Fiore, Cecilia; Shemchuk, Oleksii; Grepioni, Fabrizia; Turner, Raymond J.; Braga, Dario","Proflavine and zinc chloride “team chemistry”: combining antibacterial agents via solid-state interaction","CrystEngComm","2021","23","25","4494","4499","10.1039/D1CE00612F","","x-ray","0.71073","MoKα","","0.1707","0.0714","","","0.1529","0.2228","","","","","","0.839","","","","has coordinates","267125","2021-07-05","17:11:06",""
"7242909","6.8544","0.0003","43.892","0.0019","6.7683","0.0003","90","","90","","90","","2036.27","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O4 -","- C23 H29 N O4 -","- C92 H116 N4 O16 -","4","1","","Yi, Xue-Wen; He, Juan; Sun, Li-Tang; Liu, Ji-Kai; Wang, Guo-Kai; Feng, Tao","3-Decalinoyltetramic acids from kiwi-associated fungus Zopfiella sp. and their antibacterial activity against Pseudomonas syringae","RSC Advances","2021","11","31","18827","18831","10.1039/D1RA02120F","","","1.54178","CuKα","","0.0596","0.0581","","","0.1584","0.1593","","","","","","1.11","","","","has coordinates","265495","2021-05-26","04:21:46",""
"7242944","6.1138","0.0003","11.1707","0.0005","33.835","0.0017","90","","90","","90","","2310.78","0.19","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-hydroxy-1,1-dimethyl-5,6-diphenyl-1,2-dihydrobenzo[cd]indol-1-ium chloride","","- C26 H24 Cl3 N O -","- C26 H24 Cl3 N O -","- C104 H96 Cl12 N4 O4 -","4","1","","Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D.","Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints","CrystEngComm","2021","23","25","4500","4512","10.1039/D1CE00377A","","x-ray","0.71073","MoKα","","0.0918","0.0594","","","0.1074","0.1217","","","","","","1.023","","","","has coordinates","267127","2021-07-05","17:11:49",""
"7242949","10.269","0.005","16.787","0.008","20.919","0.008","90","","90","","90","","3606","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H42 Cu2 N10 O5 Zn -","- C34 H42 Cu2 N10 O5 Zn -","- C136 H168 Cu8 N40 O20 Zn4 -","4","1","","Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh","Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations","CrystEngComm","2021","23","27","4848","4856","10.1039/D1CE00490E","","","0.71073","MoKα","","0.0533","0.0486","","","0.1272","0.1302","","","","","","1.121","","","","has coordinates","268645","2021-09-06","10:23:25",""
"7242999","5.6685","0.00005","7.45207","0.00006","23.56855","0.00019","90","","90","","90","","995.584","0.014","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0296","0.0289","","","0.0794","0.08","","","","","","1.08","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243000","5.7302","0.001","7.415","0.0011","23.579","0.003","90","","90","","90","","1001.9","0.3","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0672","0.0599","","","0.1639","0.1743","","","","","","1.078","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243001","5.67404","0.00005","7.47072","0.00006","23.5754","0.0002","90","","90","","90","","999.341","0.015","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0317","0.0306","","","0.0828","0.0838","","","","","","1.072","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243002","5.8323","0.0008","7.3764","0.0007","23.496","0.003","90","","90","","90","","1010.8","0.2","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.1002","0.0825","","","0.2012","0.2313","","","","","","1.046","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243003","5.86556","0.00007","7.46244","0.00009","23.3965","0.0003","90","","90","","90","","1024.1","0.02","290","2","290.35","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0371","0.0332","","","0.0928","0.0962","","","","","","1.053","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243004","5.85572","0.00006","7.39661","0.00007","23.4514","0.0002","90","","90","","90","","1015.74","0.017","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0309","0.0294","","","0.0786","0.0799","","","","","","1.046","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243005","5.8614","0.00006","7.42624","0.00008","23.428","0.0003","90","","90","","90","","1019.78","0.02","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.033","0.0305","","","0.0817","0.0842","","","","","","1.049","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243006","5.8501","0.00006","7.36978","0.00007","23.4676","0.0002","90","","90","","90","","1011.78","0.017","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0297","0.0282","","","0.075","0.0764","","","","","","1.053","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243007","5.85038","0.00008","7.371","0.00011","23.4704","0.0003","90","","90","","90","","1012.12","0.02","230","2","229.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0284","0.0273","","","0.0728","0.0737","","","","","","1.082","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243008","5.83741","0.00005","7.3243","0.00006","23.48978","0.00019","90","","90","","90","","1004.3","0.014","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0283","0.0274","","","0.072","0.0727","","","","","","1.061","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243009","5.8556","0.0005","7.4394","0.0006","23.4466","0.0018","90","","90","","90","","1021.38","0.14","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0356","0.0319","","","0.087","0.089","","","","","","1.051","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243010","5.82153","0.00008","7.2732","0.00013","23.5087","0.0003","90","","90","","90","","995.39","0.03","130","2","129.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0289","0.0279","","","0.0752","0.076","","","","","","1.072","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243011","5.84375","0.00005","7.34622","0.00006","23.48048","0.0002","90","","90","","90","","1008.01","0.015","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0289","0.0279","","","0.0734","0.0742","","","","","","1.073","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243012","5.7261","0.0001","7.5472","0.0001","23.5464","0.0004","90","","90","","90","","1017.58","0.03","290","2","289.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N6 -","- C24 H22 N6 -","- C48 H44 N12 -","2","0.5","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0346","0.0311","","","0.0859","0.0887","","","","","","1.056","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243013","5.81332","0.00008","7.24959","0.00014","23.5153","0.0004","90","","90","","90","","991.03","0.03","100","2","99.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0325","0.0314","","","0.0859","0.0869","","","","","","1.076","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243014","5.83819","0.00007","7.32399","0.00009","23.4915","0.0003","90","","90","","90","","1004.47","0.02","190","2","189.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0267","0.0258","","","0.0674","0.0679","","","","","","1.047","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243015","5.86137","0.00006","7.42616","0.00008","23.4265","0.0003","90","","90","","90","","1019.7","0.02","270","2","269.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.033","0.0305","","","0.0836","0.0861","","","","","","1.043","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243016","5.84449","0.00008","7.34651","0.0001","23.4842","0.0003","90","","90","","90","","1008.33","0.02","210","2","209.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0281","0.0269","","","0.0692","0.07","","","","","","1.055","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243017","5.85593","0.00008","7.39741","0.00011","23.4532","0.0003","90","","90","","90","","1015.96","0.02","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0292","0.0274","","","0.0718","0.0732","","","","","","1.081","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243018","5.83221","0.00008","7.30484","0.00011","23.5004","0.0003","90","","90","","90","","1001.2","0.02","170","2","169.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.028","0.027","","","0.0686","0.0693","","","","","","1.083","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243019","5.85561","0.00006","7.3967","0.00007","23.4494","0.0002","90","","90","","90","","1015.65","0.017","250","2","249.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0316","0.0299","","","0.0818","0.0834","","","","","","1.058","","","","has coordinates,has disorder","267120","2021-07-05","17:10:11",""
"7243020","5.82676","0.00008","7.28832","0.00012","23.5058","0.0003","90","","90","","90","","998.23","0.02","150","2","149.95","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 -","- C12 H11 N3 -","- C48 H44 N12 -","4","1","","Juneja, Navkiran; Zahid, Ethan; Unruh, Daniel K.; Hutchins, Kristin M.","Solid-state behaviors of imines: colossal biaxial positive thermal expansion, motion capability, and phase transitions","CrystEngComm","2021","23","25","4439","4443","10.1039/D1CE00706H","","","1.54178","CuKα","","0.0279","0.027","","","0.0702","0.0708","","","","","","1.066","","","","has coordinates","267120","2021-07-05","17:10:11",""
"7243066","7.7979","0.0002","36.7369","0.0006","14.1416","0.0002","90","","90","","90","","4051.15","0.14","100.7","0.7","100.7","0.7","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Si2 -","- C24 H22 Si2 -","- C192 H176 Si16 -","8","2","","Kumar, Vipin B.; Fleming, Cassandra L.; Murali, Sai Shruthi; Hume, Paul A.; Davis, Nathaniel J. L. K.; Söhnel, Tilo; Leitao, Erin M.","The photophysical properties of naphthalene bridged disilanes","RSC Advances","2021","11","35","21343","21350","10.1039/D1RA02961D","","x-ray","1.54184","CuKα","","0.0414","0.0341","","","0.0795","0.0824","","","","","","1.032","","","","has coordinates","266524","2021-06-17","04:40:06",""
"7243119","5.4771","0.0002","9.0324","0.0004","31.6646","0.0014","90","","90","","90","","1566.49","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 I O2 S -","- C16 H15 I O2 S -","- C64 H60 I4 O8 S4 -","4","1","","Lin, Li; Yang, Zhonglie; Liu, Jianchen; Wang, Jingxia; Zheng, Jiale; Li, Jun-Long; Zhang, Xiaobin; Liu, Xiang-Wei; Jiang, Hezhong; Li, Jiahong","Visible-light-induced surfactant-promoted sulfonylation of alkenes and alkynes with sulfonyl chloride by the formation of an EDA-complex with NaI in water at room temperature","Green Chemistry","2021","23","15","5467","5473","10.1039/D1GC00956G","","","0.71073","MoKα","","0.0152","0.0149","","","0.0346","0.0348","","","","","","1.088","","","","has coordinates","268828","2021-09-06","11:48:23",""
"7243123","9.2258","0.0011","15.495","0.002","15.6334","0.0016","90","","90","","90","","2234.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C96 H108 N4 O20 -","4","1","","Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik","Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation","RSC Advances","2021","11","37","22849","22858","10.1039/D1RA03071J","","","0.71073","MoKα","","0.0492","0.04","","","0.0981","0.1043","","","","","","1.03","","","","has coordinates","266839","2021-07-01","04:22:27",""
"7243160","4.8786","0.0008","7.9416","0.0013","22.587","0.004","90","","90","","90","","875.1","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H3 N9 O4 -","- C4 H3 N9 O4 -","- C16 H12 N36 O16 -","4","1","","Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A.","[(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment","RSC Advances","2021","11","39","24013","24021","10.1039/D1RA03919A","","","0.71073","MoKα","","0.0617","0.0415","","","0.078","0.0875","","","","","","1.029","","","","has coordinates","267364","2021-07-08","04:36:34",""
"7243231","8.1778","0.0002","10.86","0.0003","21.2146","0.0006","90","","90","","90","","1884.09","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Cl2 N3 -","- C18 H27 Cl2 N3 -","- C72 H108 Cl8 N12 -","4","1","","Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L.","Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions","RSC Advances","2021","11","39","24466","24473","10.1039/D1RA04444C","","","0.71073","MoKα","","0.0372","0.0298","","","0.0665","0.0692","","","","","","1.069","","","","has coordinates","267582","2021-07-16","04:37:43",""
"7243232","8.4799","0.0002","11.2725","0.0003","16.0259","0.0005","90","","90","","90","","1531.91","0.07","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl2 N3 -","- C14 H19 Cl2 N3 -","- C56 H76 Cl8 N12 -","4","1","","Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L.","Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions","RSC Advances","2021","11","39","24466","24473","10.1039/D1RA04444C","","","0.71073","MoKα","","0.0311","0.0269","","","0.0618","0.0638","","","","","","1.045","","","","has coordinates","267582","2021-07-16","04:37:43",""
"7243242","6.82","0.0003","8.8363","0.0003","26.14","0.0011","90","","90","","90","","1575.29","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-(1-cyclohexylethyl)ammonium (S)-2-chloromandelate'","(S)-(1-cyclohexylethyl)ammonium (S)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C64 H96 Cl4 N4 O12 -","4","1","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","0.71075","MoKα","","0.0536","0.0393","","","0.0738","0.0772","","","","","","0.99","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243245","6.7938","0.0003","8.6704","0.0003","27.7144","0.0009","90","","90","","90","","1632.52","0.11","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(R)-(1-cyclohexylethyl)ammonium (R)-2-chloromandelate'","(R)-(1-cyclohexylethyl)ammonium (R)-2-(2-chlorophenyl)-2-hydroxyacetate","","- C16 H24 Cl N O3 -","- C16 H24 Cl N O3 -","- C64 H96 Cl4 N4 O12 -","4","1","","Bereczki, Laura; Zodge, Amit; Kőrösi, Márton; Holczbauer, Tamás; De, Sourav; Székely, Edit; Bombicz, Petra","A bug in enantiomer separation: double salt formation ‒ diastereomeric and double salt structures of 1-cyclohexylethylammonium 2- and 4-chloromandelate","CrystEngComm","2021","23","31","5367","5376","10.1039/D1CE00145K","","","1.54187","CuKα","","0.1422","0.0931","","","0.1968","0.2515","","","","","","1.13","","","","has coordinates","268671","2021-09-06","10:29:12",""
"7243260","5.571","0.002","9.766","0.004","11.738","0.004","90","","90","","90","","638.6","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","L-Asn.H2O","","- C4 H10 N2 O4 -","- C4 H10 N2 O4 -","- C16 H40 N8 O16 -","4","1","","Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke","Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids","CrystEngComm","2021","23","32","5456","5462","10.1039/D1CE00688F","","","0.7107","MoKα","","0.0301","0.0294","","","0.0775","0.0784","","","","","","1.067","","","","has coordinates","268648","2021-09-06","10:24:01",""
"7243380","7.7733","0.0005","9.819","0.0006","14.7763","0.001","90","","90","","90","","1127.82","0.13","","","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 N4 Ni O5 -","- C10 H8 N4 Ni O5 -","- C40 H32 N16 Ni4 O20 -","4","1","","Ahmad, M. Shahwaz; Khalid, Mohd; Khan, M. Shahnawaz; Shahid, M.; Ahmad, Musheer","Ni(ii)-Based one dimensional coordination polymers for environmental remediation: design, topology, magnetism and the selective adsorption of cationic dyes","CrystEngComm","2021","23","36","6253","6266","10.1039/D1CE00815C","","","0.71073","MoKα","","0.0468","0.042","","","0.1054","0.111","","","","","","1.0735","","","","has coordinates","269683","2021-10-06","14:52:59",""
"7243407","8.125","0.0005","13.7648","0.0011","15.2241","0.0011","90","","90","","90","","1702.6","0.2","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 N2 O6 -","- C19 H14 N2 O6 -","- C76 H56 N8 O24 -","4","1","","Aryaeifar, Mahnaz; Amiri Rudbari, Hadi; Blacque, Olivier; Islam, Mohammad Khairul; Scopelliti, Rosario; Braun, Jason D.; Herbert, David E.; Bruno, Giuseppe; Janiak, Christoph; Enamullah, Mohammed","Schiff base ligands derived from 1,2-bis(2′-nitro-/amino-phenoxy)-3-R-benzene and 2-hydroxy-1-naphthaldehyde and their Cu/Zn(ii) complexes: synthesis, characterization, X-ray structures and computational studies","CrystEngComm","2021","23","36","6322","6339","10.1039/D1CE00829C","","x-ray","1.54184","CuKα","","0.0974","0.0906","","","0.259","0.266","","","","","","1.039","","","","has coordinates,has disorder","269674","2021-10-06","14:51:03",""
"7243421","6.943","0.003","17.066","0.006","20.466","0.008","90","","90","","90","","2425","1.7","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 N2 O6 -","- C27 H32 N2 O6 -","- C108 H128 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0824","0.0438","","","0.0841","0.0942","","","","","","0.831","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243424","6.6594","0.0003","11.845","0.0005","26.345","0.0013","90","","90","","90","","2078.11","0.16","100","2","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O6 -","- C23 H28 N2 O6 -","- C92 H112 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0478","0.0461","","","0.1205","0.1224","","","","","","1.095","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243425","8.978","0.004","9.713","0.005","28.903","0.014","90","","90","","90","","2520","2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C108 H120 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1296","0.0495","","","0.0916","0.1102","","","","","","0.766","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243427","6.722","0.002","19.671","0.006","20.29","0.006","90","","90","","90","","2682.9","1.4","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 F6 N2 O7 -","- C24 H28 F6 N2 O7 -","- C96 H112 F24 N8 O28 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1069","0.0591","","","0.1579","0.1813","","","","","","0.907","","","","has coordinates,has disorder","270433","2021-11-06","19:52:39",""
"7243428","6.5291","0.0019","19.368","0.006","20.431","0.006","90","","90","","90","","2583.6","1.3","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O6 -","- C28 H34 N2 O6 -","- C112 H136 N8 O24 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.1069","0.051","","","0.0819","0.0982","","","","","","0.825","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243429","15.5984","0.0005","15.7897","0.0005","23.5416","0.0007","90","","90","","90","","5798.2","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C58 H66 N6 O15 S2 -","- C58 H66 N6 O15 S2 -","- C232 H264 N24 O60 S8 -","4","1","","Divya, Indira S.; Amrutha, Surendran; SeethaLekshmi, Sunil; Varughese, Sunil","Molecular salts of quinine: a crystal engineering route to enhance the aqueous solubility","CrystEngComm","2021","23","39","6942","6951","10.1039/D1CE00791B","","","0.71073","MoKα","","0.0468","0.0447","","","0.1184","0.1203","","","","","","1.035","","","","has coordinates","270433","2021-11-06","19:52:39",""
"7243467","7.3905","0.0002","8.8156","0.0003","16.4817","0.0005","90","","90","","90","","1073.81","0.06","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 Ca3 K2 O12 -","- C4 Ca3 K2 O12 -","- C16 Ca12 K8 O48 -","4","1","","Rashchenko, Sergey V.; Shatskiy, Anton F.; Ignatov, Mark A.; Arefiev, Anton V.; Litasov, Konstantin D.","High-pressure synthesis and crystal structure of non-centrosymmetric K2Ca3(CO3)4","CrystEngComm","2021","23","38","6675","6681","10.1039/D1CE00882J","","x-ray","0.71073","MoKα","","0.0358","0.0266","","","0.0532","0.0558","","","","1.351","1.351","1.3081","","","","has coordinates","270447","2021-11-06","19:59:15",""
"7243486","15.337","0.003","20.728","0.004","23.104","0.005","90","","90","","90","","7345","3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","permethylated alpha-cyclodextrin valproic acid hydrate","hexakis-(2,3,6-tri-O-methyl)-cyclomaltohexaose 2-propylpentanoic acid clathrate hydrate","","- C62 H114.4 O33.2 -","- C62 H112 O32.5 -","- C248 H448 O130 -","4","1","","Vicatos, A. I.; Caira, M. R.","Cyclodextrin complexes of the anticonvulsant agent valproic acid","CrystEngComm","2021","23","37","6582","6590","10.1039/D1CE01024G","","","0.71073","MoKα","","0.1342","0.0676","","","0.1482","0.1761","","","","","","1.016","","","","has coordinates,has disorder","269670","2021-10-06","14:49:00",""
"7243573","5.0851","0.0017","13.6181","0.0018","18.784","0.002","90","","90","","90","","1300.8","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Gamidi, Rama Krishna; Dandawate, Monica; Choudhury, Rahul; Tothadi, Srinu; Nangia, Ashwini; Reddy, D. Srinivasa","Separation of a diastereomeric diol pair using mechanical properties of crystals","CrystEngComm","2021","","","","","10.1039/D1CE01055G","","","1.54178","CuKα","","0.0361","0.0338","","","0.0794","0.0814","","","","","","1.069","","","","has coordinates","269268","2021-09-23","22:49:14",""
"7243589","8.8412","0.0014","10.5892","0.0015","50.762","0.008","90","","90","","90","","4752.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-gadolinium","(phthalocyaninato)-(phthalocyaninato-radical)-gadolinium(III)","","- C64 H32 Gd N16 -","- C64 H32 Gd N16 -","- C256 H128 Gd4 N64 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0585","0.0539","","","0.1287","0.1305","","","","","","1.197","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243592","8.8171","0.0011","10.5671","0.0012","50.648","0.006","90","","90","","90","","4718.9","1","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-dysprosium","(phthalocyaninato)-(phthalocyaninato-radical)-dysprosium(III)","","- C64 H32 Dy N16 -","- C64 H32 Dy N16 -","- C256 H128 Dy4 N64 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0535","0.0457","","","0.0812","0.0833","","","","","","1.116","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243595","8.8136","0.0006","10.5756","0.0007","50.713","0.003","90","","90","","90","","4726.9","0.5","101","2","101","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato) Tb(III)","(phthalocyaninato)-(phthalocyaninato-radical) terbium (III)","","- C64 H32 N16 Tb -","- C64 H32 N16 Tb -","- C256 H128 N64 Tb4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0567","0.0501","","","0.0815","0.0832","","","","","","1.184","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243596","8.7901","0.0006","10.5965","0.0012","50.568","0.004","90","","90","","90","","4710.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-ytterbium","(phthalocyaninato)-(phthalocyaninato-radical)-ytterbium(III)","","- C64 H32 N16 Yb -","- C64 H32 N16 Yb -","- C256 H128 N64 Yb4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.045","0.041","","","0.117","0.1199","","","","","","0.873","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243603","8.8201","0.0002","10.6092","0.0003","50.7567","0.0011","90","","90","","90","","4749.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","bis(phthalocyaninato)-samarium","(phthalocyaninato)-(phthalocyaninato-radical)-samarium (III)","","- C64 H32 N16 Sm -","- C64 H32 N16 Sm -","- C256 H128 N64 Sm4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0467","0.038","","","0.0599","0.0619","","","","","","1.087","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243606","8.852","0.002","10.604","0.002","50.844","0.012","90","","90","","90","","4772.6","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(bis)phthalocyanine neodymium","[phthalocyaninato]-[phthalocyaninato-radical]neodymium(III)","","- C64 H32 N16 Nd -","- C64 H32 N16 Nd -","- C256 H128 N64 Nd4 -","4","1","","Dailey, Maegan; Besson, Claire","Selective crystallization of four bis(phthalocyaninato)lanthanoid(iii) polymorphs","CrystEngComm","2021","23","40","7151","7161","10.1039/D1CE00936B","","x-ray","0.71073","MoKα","","0.0345","0.0307","","","0.072","0.0739","","","","","","0.859","","","","has coordinates","270438","2021-11-06","19:55:54",""
"7243704","7.2246","0.0008","11.8631","0.0011","20.815","0.002","90","","90","","90","","1784","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N3 O S -","- C21 H19 N3 O S -","- C84 H76 N12 O4 S4 -","4","1","","Duan, Xiu; Sun, Qi; Yuan, Xin; Qin, Long-Zhou; Zhang, Xin-Peng; Liu, Jie; Wu, Meng-Yu; Zhu, Shan-Shan; Ma, Can-Liang; Qiu, Jiang-Kai; Guo, Kai","Photoinduced remote heteroaryl migration accompanied by cyanoalkylacylation in continuous flow","Green Chemistry","2021","23","22","8916","8921","10.1039/D1GC03060D","","","0.71073","MoKα","","0.0825","0.0549","","","0.1279","0.139","","","","","","1.031","","","","has coordinates","271850","2022-01-06","21:30:41",""
"7243759","8.79899","0.00006","12.17385","0.00009","15.22942","0.00012","90","","90","","90","","1631.34","0.02","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C72 H60 N4 O12 S4 -","4","1","","Okayasu, Misaki; Kikkawa, Shoko; Hikawa, Hidemasa; Azumaya, Isao","Relationship between crystal shape and unit cell shape: crystal shape modification via co-crystallization toward SXRD-suitable crystals","CrystEngComm","2021","23","44","7760","7770","10.1039/D1CE00897H","","","1.54187","CuKα","","0.0293","0.0292","","","0.0744","0.0745","","","","","","1.089","","","","has coordinates","271160","2021-12-07","02:54:36",""
"7243786","5.6526","0.0002","10.0371","0.0003","36.8324","0.0015","90","","90","","90","","2089.71","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O S2 -","- C26 H24 O S2 -","- C104 H96 O4 S8 -","4","1","","Zhou, Lu; Chen, Zhaopeng; Li, Jiahui; Li, Baolin","Synthesis of dithienofurans via cascade copper catalysed dual C–S coupling and ring closure reactions under mild conditions","RSC Advances","2021","11","54","34071","34078","10.1039/D1RA06881D","","x-ray","1.54184","CuKα","","0.0533","0.048","","","0.1297","0.1337","","","","","","1.084","","","","has coordinates","270146","2021-10-29","02:26:26",""
"7243814","12.8292","0.0009","13.3387","0.001","18.2848","0.0014","90","","90","","90","","3129","0.4","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cu N6 S2 -","- C10 H20 Cu N6 S2 -","- C80 H160 Cu8 N48 S16 -","8","2","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.1357","0.0616","","","0.0683","0.0818","","","","","","1.007","","","","has coordinates","272603","2022-02-04","19:18:06",""
"7243854","9.5985","0.0004","23.0985","0.0011","16.6315","0.0007","90","","90","","90","","3687.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C136 H220 N20 O32 -","4","1","","Nandi, Sujay Kumar; Mondal, Saikat; Mondal, Sahabaj; Gumtya, Milan; Haldar, Debasish","Structure–mechanical property relationship of a pentapeptide crystal","CrystEngComm","2021","23","46","8093","8098","10.1039/D1CE00738F","","x-ray","0.71073","MoKα","","0.0562","0.0482","","","0.1048","0.1119","","","","","","1.07","","","","has coordinates","271177","2021-12-07","03:08:47",""
"7243870","10.51","0.004","16.988","0.007","29.61","0.012","90","","90","","90","","5287","4","173","2","173.02","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 Cl3 N4 Ni O19 Zr3 -","- C33 H29 Cl3 N3 Ni O13 Zr3 -","- C132 H116 Cl12 N12 Ni4 O52 Zr12 -","4","1","","Wang, Ying; Fu, Yaomei; You, Siqi; Li, Xuexin; Zhao, Liang; Qin, Chao; Wang, Xinlong","Two Zr-based heterometal–organic frameworks for efficient CO2 reduction under visible light","CrystEngComm","2021","23","46","8115","8120","10.1039/D1CE01198G","","x-ray","0.71073","MoKα","K-L~3~","0.1168","0.0559","","","0.1086","0.1264","","","","","","0.99","","","","has coordinates","271176","2021-12-07","03:08:28",""
"7243890","8.3124","0.0011","14.5576","0.0019","17.939","0.002","90","","90","","90","","2170.8","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C96 H88 N16 O16 Zn4 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0323","0.0265","","","0.058","0.067","","","","","","1.045","","","","has coordinates","272599","2022-02-04","19:17:28",""
"7243936","7.892","0.0002","11.2256","0.0003","24.2967","0.0006","90","","90","","90","","2152.5","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 F2 N5 O2 S -","- C22 H19 F2 N5 O2 S -","- C88 H76 F8 N20 O8 S4 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.031","0.0285","","","0.0697","0.0711","","","","","","1.035","","","","has coordinates","271842","2022-01-06","21:16:07",""
"7243938","6.1215","0.0003","11.1722","0.0005","34.3989","0.0017","90","","90","","90","","2352.56","0.19","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 F2 N5 O5 P S -","- C22 H20 F2 N5 O5 P S -","- C88 H80 F8 N20 O20 P4 S4 -","4","1","","Voronin, Alexander P.; Vasilev, Nikita A.; Surov, Artem O.; Churakov, Andrei V.; Perlovich, German L.","Exploring the solid form landscape of the antifungal drug isavuconazole: crystal structure analysis, phase transformation behavior and dissolution performance","CrystEngComm","2021","23","48","8513","8526","10.1039/D1CE01353J","","","0.71073","MoKα","","0.0292","0.0276","","","0.066","0.067","","","","","","1.062","","","","has coordinates,has disorder","271842","2022-01-06","21:16:07",""
"7243942","5.1022","0.0018","13.858","0.005","14.596","0.005","90","","90","","90","","1032","0.6","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one","","- C9 H12 N3 O5 -","- C9 H12 N3 O5 -","- C36 H48 N12 O20 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1583","0.0988","","","0.2293","0.2634","","","","","","1.044","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243944","6.66","0.19","13.2","0.3","26.77","0.12","90","","90","","90","","2353","9","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide","","- C23 H36 N2 O2 -","- C23 H36 N2 O2 -","- C92 H144 N8 O8 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1799","0.1351","","","0.2804","0.3083","","","","","","1.086","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243947","5.96","0.09","7.09","0.14","21.59","0.15","90","","90","","90","","912","2","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-amino-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)propanoic acid","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C36 H44 N4 O12 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1455","0.1363","","","0.318","0.3235","","","","","","1.116","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243948","5.177","0.002","10.691","0.005","15.272","0.007","90","","90","","90","","845.3","0.6","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Ito, Sho; White, Fraser J.; Okunishi, Eiji; Aoyama, Yoshitaka; Yamano, Akihito; Sato, Hiroyasu; Ferrara, Joseph D.; Jasnowski, Michał; Meyer, Mathias","Structure determination of small molecule compounds by an electron diffractometer for 3D ED/MicroED","CrystEngComm","2021","23","48","8622","8630","10.1039/D1CE01172C","","electron","0.0251","200keVelectrons","","0.1663","0.1194","","","0.3194","0.3469","","","","","","1.156","","","","has coordinates","271839","2022-01-06","21:15:03",""
"7243976","6.7109","0.0003","10.271","0.0004","17.775","0.0007","90","","90","","90","","1225.19","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Ca N2 O5 -","- C11 H10 Ca N2 O5 -","- C44 H40 Ca4 N8 O20 -","4","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0688","0.0594","","","0.1396","0.1436","","","","","","1.199","","","","has coordinates","272636","2022-02-04","19:26:35",""
"7243979","7.78804","0.00005","10.18953","0.00007","19.93923","0.00014","90","","90","","90","","1582.31","0.019","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cl N2 O -","- C16 H19 Cl N2 O -","- C64 H76 Cl4 N8 O4 -","4","1","","Fauziev, Ruslan V.; Ivanov, Roman E.; Kuchurov, Ilya V.; Zlotin, Sergei G.","A carbon dioxide-promoted three-component Strecker reaction","Green Chemistry","2021","23","24","10137","10144","10.1039/D1GC03161A","","x-ray","1.54184","CuKα","","0.0249","0.0246","","","0.0639","0.0642","","","","","","1.072","","","","has coordinates","271847","2022-01-06","21:30:08",""
"7243992","7.5628","0.0002","9.9033","0.0003","25.3929","0.0007","90","","90","","90","","1901.84","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 Cl2 N O2 -","- C5 H15 Cl2 N O2 -","- C40 H120 Cl16 N8 O16 -","8","2","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0189","0.0187","","","0.0492","0.0493","","","","","","1.063","","","","has coordinates","272598","2022-02-04","19:17:17",""
"7244054","5.46724","0.00004","21.5006","0.00015","23.19943","0.00016","90","","90","","90","","2727.07","0.03","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 N3 O4 P -","- C30 H40 N3 O4 P -","- C120 H160 N12 O16 P4 -","4","1","","Rouh, Hossein; Tang, Yao; Zhang, Sai; Ali, Ahmed I. M.; Surowiec, Kazimierz; Unruh, Daniel; Li, Guigen","Asymmetric [4 + 2] cycloaddition synthesis of 4H-chromene derivatives facilitated by group-assisted-purification (GAP) chemistry","RSC Advances","2021","11","63","39790","39796","10.1039/D1RA08323F","","x-ray","1.54184","CuKα","","0.0272","0.026","","","0.067","0.0676","","","","","","1.049","","","","has coordinates","271433","2021-12-15","02:18:54",""
"7244092","8.9979","0.0011","9.4469","0.0011","14.0932","0.0017","90","","90","","90","","1198","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Wang, Kai-Kai; Li, Yan-Li; Zhao, Ying-Chao; Zhang, Shan-Shan; Chen, Rongxiang; Sun, Aili","Facile synthesis of O-acylhydroxamates via reaction of oxime chlorides with carboxylic acids","RSC Advances","2021","11","63","40193","40196","10.1039/D1RA06860A","","","0.71073","MoKα","","0.0384","0.0326","","","0.094","0.0983","","","","","","0.979","","","","has coordinates","271556","2021-12-21","02:14:20",""
"7244160","4.8673","0.0012","11.348","0.003","27.751","0.006","90","","90","","90","","1532.8","0.6","174","2","174.29","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N3 O2 S -","- C15 H12 Br N3 O2 S -","- C60 H48 Br4 N12 O8 S4 -","4","1","","Prasanth, Thumpati; Chakraborti, Gargi; Mandal, Tirtha; Ravichandiran, Velayutham; Dash, Jyotirmayee","Cycloaddition of N-sulfonyl and N-sulfamoyl azides with alkynes in aqueous media for the selective synthesis of 1,2,3-triazoles","Green Chemistry","2022","24","2","911","915","10.1039/D1GC03340A","","","0.71073","MoKα","","0.0392","0.0317","","","0.0641","0.0665","","","","","","1.06","","","","has coordinates","272703","2022-02-04","19:50:53",""
"7244161","5.3437","0.0005","14.4207","0.0016","16.6141","0.0016","90","","90","","90","","1280.3","0.2","100","2","99.83","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N4 O3 S -","- C11 H14 N4 O3 S -","- C44 H56 N16 O12 S4 -","4","1","","Prasanth, Thumpati; Chakraborti, Gargi; Mandal, Tirtha; Ravichandiran, Velayutham; Dash, Jyotirmayee","Cycloaddition of N-sulfonyl and N-sulfamoyl azides with alkynes in aqueous media for the selective synthesis of 1,2,3-triazoles","Green Chemistry","2022","24","2","911","915","10.1039/D1GC03340A","","","0.71073","MoKα","","0.045","0.0424","","","0.0905","0.0923","","","","","","1.07","","","","has coordinates","272703","2022-02-04","19:50:53",""
"7244203","9.8206","0.0008","13.9643","0.0011","13.9819","0.0011","90","","90","","90","","1917.4","0.3","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 F6 N5 Ni O2 P -","- C12 H28 F6 N5 Ni O2 P -","- C48 H112 F24 N20 Ni4 O8 P4 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0275","0.0257","","","0.0673","0.0686","","","","","","1.059","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244205","8.652","0.0008","11.9224","0.001","18.0909","0.0015","90","","90","","90","","1866.1","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 Cl4 Co2 N5 -","- C10 H25 Cl4 Co2 N5 -","- C40 H100 Cl16 Co8 N20 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0259","0.0238","","","0.0602","0.0612","","","","","","1.043","","","","has coordinates","273355","2022-03-04","22:08:53",""
"7244218","7.09","0.0005","15.0538","0.0011","16.4613","0.0012","90","","90","","90","","1756.9","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl2 Cu N7 -","- C17 H13 Cl2 Cu N7 -","- C68 H52 Cl8 Cu4 N28 -","4","1","","Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata","Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions","CrystEngComm","2022","24","8","1598","1611","10.1039/D1CE01402A","","","0.71073","MoKα","","0.0265","0.0223","","","0.0756","0.0881","","","","","","0.79","","","","has coordinates","273353","2022-03-04","22:07:53",""
"7244219","6.9172","0.0009","15.1342","0.0019","17.174","0.002","90","","90","","90","","1797.9","0.4","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl Cu N8 O3 -","- C17 H13 Cl Cu N8 O3 -","- C68 H52 Cl4 Cu4 N32 O12 -","4","1","","Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata","Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions","CrystEngComm","2022","24","8","1598","1611","10.1039/D1CE01402A","","","0.71073","MoKα","","0.0383","0.0348","","","0.1067","0.1122","","","","","","0.883","","","","has coordinates","273353","2022-03-04","22:07:54",""
"7244222","10.6796","0.0004","14.9649","0.0001","20.9874","0.0004","90","","90","","90","","3354.19","0.14","160","2","160","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Cl6 N Ni P2 -","- C30 H33 Cl6 N Ni P2 -","- C120 H132 Cl24 N4 Ni4 P8 -","4","1","","Ioannou, Polydoros-Chrysovalantis; Coufal, Radek; Kakridi, Kalliopi; Raptopoulou, Catherine P.; Trhlíková, Olga; Psycharis, Vassilis; Zedník, Jiří; Kyritsis, Panayotis; Vohlídal, Jiří","Effects of the halogenido ligands on the Kumada-coupling catalytic activity of [Ni{tBuN(PPh2)2-κ2P}X2], X = Cl, Br, I, complexes","RSC Advances","2022","12","4","2227","2236","10.1039/D1RA04572E","","","0.71073","MoKα","","0.0232","0.022","","","0.0525","0.0531","","","","","","1.033","","","","has coordinates","272048","2022-01-15","01:47:22",""
"7244322","23.1168","0.0013","24.6194","0.0015","24.9596","0.001","90","","90","","90","","14205.1","1.3","302","","302","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C110 H122 Cl N52 O51 S2 U3 -","- C110 H122 Cl N52 O51 S2 U3 -","- C440 H488 Cl4 N208 O204 S8 U12 -","4","1","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.1428","0.0881","","","0.2335","0.2746","","","","","","0.998","","","","has coordinates","274970","2022-05-05","20:29:39",""
"7244327","7.7807","0.0003","13.9973","0.0007","15.18","0.0008","90","","90","","90","","1653.24","0.14","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Br N O4 -","- C16 H20 Br N O4 -","- C64 H80 Br4 N4 O16 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.0646","0.0356","","","0.078","0.087","","","","","","0.987","","","","has coordinates","272442","2022-02-03","02:07:45",""
"7244328","5.467","0.0002","27.8275","0.0012","32.842","0.002","90","","90","","90","","4996.4","0.4","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C204 H252 N12 O36 S12 -","12","3","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.1652","0.043","","","0.0699","0.0874","","","","","","0.647","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244330","5.4649","0.0001","10.7205","0.0004","26.0834","0.0007","90","","90","","90","","1528.13","0.08","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 S -","- C16 H19 N O3 S -","- C64 H76 N4 O12 S4 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.0342","0.0312","","","0.0849","0.087","","","","","","1.079","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244332","8.2312","0.0005","9.114","0.0009","13.9693","0.001","90","","90","","90","","1047.97","0.14","295","1","295","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 Cl N O4 -","- C7 H16 Cl N O4 -","- C28 H64 Cl4 N4 O16 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.0424","0.0271","","","0.0501","0.0531","","","","","","0.877","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244333","7.0341","0.0008","14.022","0.002","14.321","0.002","90","","90","","90","","1412.5","0.3","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.1343","0.0372","","","0.0593","0.0736","","","","","","0.681","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244334","7.481","0.0004","10.464","0.0009","15.998","0.001","90","","90","","90","","1252.34","0.15","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Reyes-Bravo, Enrique; Gnecco, Dino; Juárez, Jorge R.; Orea, María L.; Bernès, Sylvain; Aparicio, David M.; Terán, Joel L.","Diastereoselective synthesis of new zwitterionic bicyclic lactams, scaffolds for construction of 2-substituted-4-hydroxy piperidine and its pipecolic acid derivatives","RSC Advances","2022","12","7","4187","4190","10.1039/D1RA09298G","","x-ray","0.56083","AgKα","","0.0709","0.0379","","","0.0762","0.0832","","","","","","0.813","","","","has coordinates","272442","2022-02-03","02:07:46",""
"7244372","7.7796","0.0005","13.1314","0.0011","24.231","0.002","90","","90","","90","","2475.4","0.3","150","2","150.04","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H26 B N2 O3.5 -","- C29 H26 B N2 O3.5 -","- C116 H104 B4 N8 O14 -","4","1","","Zhang, Xuebo; Xu, Jing; Sun, Zhaofeng; Bian, Guangling; Song, Ling","NMR analysis of the enantiomeric purity of chiral diols by a new chiral boron agent","RSC Advances","2022","12","8","4692","4696","10.1039/D2RA00428C","","","0.71073","MoKα","","0.0499","0.0451","","","0.1076","0.1108","","","","","","1.081","","","","has coordinates","272865","2022-02-09","02:07:43",""
"7244418","4.2682","0.0002","18.1897","0.001","19.6942","0.0012","90","","90","","90","","1529","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","10,13-DiBromo-dibenzo[a,c]phenazine","10,13-DiBromo-dibenzo[a,c]phenazine","","- C20 H10 Br2 N2 -","- C20 H10 Br2 N2 -","- C80 H40 Br8 N8 -","4","1","","Putta, Anjaneyulu; Gairhe, Shankar; Feng, Yao; Sun, Haoran","Stereo-electronic effect of the perfluoropropyl group on the solid-state molecular packing of isomeric dibenzo[a,c]phenazine derivatives","CrystEngComm","2022","","","","","10.1039/D2CE00019A","","","0.71073","MoKα","","0.0956","0.0407","","","0.0693","0.0847","","","","","","0.924","","","","has coordinates","272991","2022-02-16","23:34:08",""
"7244478","6.6777","0.0004","8.5198","0.0005","33.3475","0.0018","90","","90","","90","","1897.23","0.19","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cu2 F2 N2 O7 -","- C18 H14 Cu2 F2 N2 O7 -","- C72 H56 Cu8 F8 N8 O28 -","4","1","","Li, Zhongkui; Su, Hao; Zhu, Yanhong; Yan, Li; Li, Hui","Structural transformation of copper coordination complexes accompanied with chiral transformation","CrystEngComm","2022","","","","","10.1039/D1CE01711J","","","0.71073","MoKα","","0.0478","0.0379","","","0.0776","0.081","","","","","","1.076","","","","has coordinates","273118","2022-02-22","23:39:39",""
"7244483","8.224","0.004","14.043","0.007","21.164","0.01","90","","90","","90","","2444","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 N O3 -","- C30 H31 N O3 -","- C120 H124 N4 O12 -","4","1","","He, Jin-Yu; Qian, Wei-Feng; Wang, Yan-Zhao; Yao, Chaochao; Wang, Nana; Liu, Huilin; Zhong, Bing; Zhu, Cuiju; Xu, Hao","Sustainable electrochemical dehydrogenative C(sp3)–H mono/di-alkylations","Green Chemistry","2022","24","6","2483","2491","10.1039/D1GC04479F","","","1.34139","GaKα","","0.1001","0.0694","","","0.1734","0.207","","","","","","1.099","","","","has coordinates","274991","2022-05-05","20:37:42",""
"7244501","8.1444","0.0001","14.7371","0.0002","18.1313","0.0003","90","","90","","90","","2176.21","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 F O2 -","- C28 H31 F O2 -","- C112 H124 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0365","0.0329","","","0.0882","0.0918","","","","","","1.089","","","","has coordinates","274973","2022-05-05","20:32:04",""
"7244502","9.6737","0.0002","13.7426","0.0003","17.4902","0.0004","90","","90","","90","","2325.18","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Br O2 -","- C28 H33 Br O2 -","- C112 H132 Br4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0383","0.0311","","","0.0753","0.0781","","","","","","1.054","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244503","7.4163","0.0002","24.3559","0.0006","26.0244","0.0006","90","","90","","90","","4700.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Br Cl O2 -","- C28 H32 Br Cl O2 -","- C224 H256 Br8 Cl8 O16 -","8","2","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0574","0.0387","","","0.067","0.0754","","","","","","1.056","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244504","9.6037","0.0002","14.6224","0.0004","16.3071","0.0004","90","","90","","90","","2289.99","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C112 H128 Cl4 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0453","0.0386","","","0.103","0.1084","","","","","","1.064","","","","has coordinates,has disorder","274973","2022-05-05","20:32:05",""
"7244505","7.3425","0.0004","19.7162","0.0012","31.4052","0.0019","90","","90","","90","","4546.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C224 H256 Cl8 F8 O16 -","8","2","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0867","0.0637","","","0.154","0.1694","","","","","","1.027","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244506","7.5823","0.0002","12.3043","0.0004","24.7321","0.0008","90","","90","","90","","2307.38","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl2 O2 -","- C28 H32 Cl2 O2 -","- C112 H128 Cl8 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0471","0.0387","","","0.0891","0.0949","","","","","","1.043","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244508","9.5984","0.0002","13.7895","0.0004","17.3969","0.0004","90","","90","","90","","2302.6","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl O2 -","- C28 H33 Cl O2 -","- C112 H132 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0403","0.0352","","","0.0836","0.0877","","","","","","1.054","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244509","7.5079","0.0002","10.4189","0.0003","30.1049","0.0009","90","","90","","90","","2354.93","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Br Cl O2 -","- C28 H32 Br Cl O2 -","- C112 H128 Br4 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0553","0.0386","","","0.0788","0.0873","","","","","","1.018","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244510","8.2415","0.0003","14.6409","0.0006","17.9646","0.0008","90","","90","","90","","2167.66","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 F O2 -","- C28 H31 F O2 -","- C112 H124 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0728","0.0498","","","0.1137","0.128","","","","","","1.036","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244511","8.1994","0.0002","9.5995","0.0002","29.1554","0.0007","90","","90","","90","","2294.83","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C112 H128 Cl4 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0538","0.0403","","","0.0945","0.1027","","","","","","1.068","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244512","7.357","0.0001","15.9989","0.0003","19.5774","0.0004","90","","90","","90","","2304.34","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl O2 -","- C28 H33 Cl O2 -","- C112 H132 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0497","0.0402","","","0.0988","0.1061","","","","","","1.029","","","","has coordinates","274973","2022-05-05","20:32:05",""
"7244518","7.6442","0.0003","8.6092","0.0003","27.0462","0.0009","90","","90","","90","","1779.92","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 N3 O5 -","- C23 H15 N3 O5 -","- C92 H60 N12 O20 -","4","1","","Fedyanin, Ivan V.","Control of supramolecular chirality in co-crystals of achiral molecules via stacking interactions and hydrogen bonding","CrystEngComm","2022","","","","","10.1039/D2CE00081D","","","0.71073","MoKα","","0.0516","0.0416","","","0.0962","0.1023","","","","","","0.996","","","","has coordinates","273148","2022-02-24","23:38:42",""
"7244520","9.18755","0.000008","13.99638","0.000009","20.528931","0.000011","90","","90","","90","","2639.86","0.003","120","","120","","","","100","","","","","6","P 21 21 21","P 2ac 2ab","19","","sofosbuvir hydrate","","- C11 H15.5 F0.5 N1.5 O5 P0.5 -","- C11 H15.5 F0.5 N1.5 O5 P0.5 -","- C88 H124 F4 N12 O40 P4 -","8","2","","Chatziadi, Argyro; Skořepová, Eliška; Kohout, Martin; Ridvan, Luděk; Šoóš, Miroslav","Exploring the polymorphism of sofosbuvir via mechanochemistry: effect of milling jar geometry and material","CrystEngComm","2022","","","","","10.1039/D1CE01561C","","","1.54184","CuKα","","0.029","0.0287","","0.0747","0.0743","0.0747","","","","","","1.0189","","","","has coordinates","273149","2022-02-24","23:39:38",""
"7244583","7.6389","0.0009","17.543","0.002","23.531","0.003","90","0.002","90","","90","0.002","3153.4","0.7","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H19 N7 O8 Zn2 -","- C33 H19 N7 O8 Zn2 -","- C132 H76 N28 O32 Zn8 -","4","1","","Zhou, Zhao-Di; Li, Shi-Qi; Liu, Yin; Du, Bin; Shen, Yuan-Yue; Yu, Bao-Yi; Wang, Chong-Chen","Two bis-ligand-coordinated Zn(ii)-MOFs for luminescent sensing of ions, antibiotics and pesticides in aqueous solutions","RSC Advances","2022","12","13","7780","7788","10.1039/D2RA00376G","","","0.71073","MoKα","","0.2133","0.1202","","","0.2991","0.3548","","","","","","1.033","","","","has coordinates,has disorder","273582","2022-03-10","02:14:58",""
"7244600","9.1006","0.0003","17.0456","0.0004","22.1478","0.0005","90","","90","","90","","3435.68","0.16","100","0.02","100","0.02","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Triphenylbismuth dichloride","","- C18 H15 Bi Cl2 -","- C18 H15 Bi Cl2 -","- C144 H120 Bi8 Cl16 -","8","2","","Yakubenko, Artyom A.; Puzyk, Aleksandra M.; Korostelev, Vladislav O.; Mulloyarova, Valeriia V.; Tupikina, Elena Yu.; Tolstoy, Peter; Antonov, Alexander S.","Self-association of diphenylpnictoginic acids in solution and solid state: covalent vs hydrogen bonding","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP00286H","","","0.71073","MoKα","","0.0245","0.0203","","","0.0361","0.037","","","","","","0.99","","","","has coordinates","273714","2022-03-16","01:48:42",""
"7244612","6.8069","0.0003","6.8839","0.0003","17.1166","0.001","90","","90","","90","","802.05","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Br O5 -","- C6 H11 Br O5 -","- C24 H44 Br4 O20 -","4","1","","Ziemniak, Marcin; Pawlędzio, Sylwia; Zawadzka-Kaźmierczuk, Anna; Dominiak, Paulina M.; Trzybiński, Damian; Koźmiński, Wiktor; Zieliński, Rafał; Fokt, Izabela; Priebe, Waldemar; Woźniak, Krzysztof; Pająk, Beata","X-ray wavefunction refinement and comprehensive structural studies on bromo-substituted analogues of 2-deoxy-d-glucose in solid state and solution","RSC Advances","2022","12","14","8345","8360","10.1039/D1RA08312K","","","1.54184","CuKα","","0.0425","0.0366","","","0.0796","0.0838","","","","","","0.948","","","","has coordinates","273717","2022-03-16","02:16:29",""
"7244632","14.7092","0.0004","22.2121","0.0006","30.2861","0.0008","90","","90","","90","","9895.1","0.5","296.15","","296.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H66 Cu Mo24 N12 O90 P2 -","- C27 H66 Cu Mo24 N12 O90 P2 -","- C108 H264 Cu4 Mo96 N48 O360 P8 -","4","1","","Ma, Shufang; Ying, Jun; Zhang, Yanping; Tian, Aixiang","Four POM-based complexes modified by multi-nuclear clusters: structures, photocatalytic, supercapacitor and chromogenic properties","CrystEngComm","2022","","","","","10.1039/D2CE00255H","","","0.71073","MoKα","","0.0554","0.0366","","","0.0834","0.0938","","","","","","1.052","","","","has coordinates","273759","2022-03-17","23:39:49",""
"7244718","6.4839","0.0005","10.5895","0.0008","20.8436","0.0015","90","","90","","90","","1431.15","0.19","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 N7 O10 -","- C9 H5 N7 O10 -","- C36 H20 N28 O40 -","4","1","","Qiao, Shen; Wang, Jianhua; Yu, Yanwu; Liu, Yucun; Yang, Zongwei; Li, Hongzhen","Two novel TNB energetic cocrystals with low melting point: a potential strategy to construct melt cast explosive carriers","CrystEngComm","2022","","","","","10.1039/D2CE00025C","","","0.71073","MoKα","","0.0301","0.0275","","","0.0703","0.0722","","","","","","1.035","","","","has coordinates","274404","2022-04-06","22:33:18",""
"7244719","6.7852","0.0017","11.054","0.003","20.043","0.005","90","","90","","90","","1503.3","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 N8 O10 -","- C9 H6 N8 O10 -","- C36 H24 N32 O40 -","4","1","","Qiao, Shen; Wang, Jianhua; Yu, Yanwu; Liu, Yucun; Yang, Zongwei; Li, Hongzhen","Two novel TNB energetic cocrystals with low melting point: a potential strategy to construct melt cast explosive carriers","CrystEngComm","2022","","","","","10.1039/D2CE00025C","","","0.71073","MoKα","","0.0838","0.0399","","","0.0921","0.1144","","","","","","1.037","","","","has coordinates","274404","2022-04-06","22:33:18",""
"7244725","11.5289","0.0001","15.1039","0.0001","26.5225","0.0001","90","","90","","90","","4618.4","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 Cd3 N4 O16 -","- C44 H40 Cd3 N4 O16 -","- C176 H160 Cd12 N16 O64 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0221","0.0203","","","0.0491","0.0498","","","","","","1.031","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244726","11.5288","0.0001","15.0909","0.0001","26.5164","0.0002","90","","90","","90","","4613.32","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 Cd3 N4 O16 -","- C44 H40 Cd3 N4 O16 -","- C176 H160 Cd12 N16 O64 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0456","0.0444","","","0.1202","0.1213","","","","","","1.068","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244727","11.1809","0.0001","15.0036","0.0001","25.5061","0.0001","90","","90","","90","","4278.74","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H37 N4 O16 Zn3 -","- C44 H37 N4 O16 Zn3 -","- C176 H148 N16 O64 Zn12 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0325","0.0311","","","0.0757","0.0761","","","","","","1.072","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244728","11.1793","0.0001","15.0014","0.0002","25.5008","0.0002","90","","90","","90","","4276.62","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 N4 O16 Zn3 -","- C44 H40 N4 O16 Zn3 -","- C176 H160 N16 O64 Zn12 -","4","1","","Wang, Zhi-Wen; Zhu, Zi-Yi; Li, Shangda; Wang, Fei","Design Syntheses of Metal-Organic Layer with Rich N-sites for CO2 Chemical Fixation","CrystEngComm","2022","","","","","10.1039/D2CE00088A","","x-ray","1.3405","GaKα","","0.0385","0.0361","","","0.0889","0.0906","","","","","","1.026","","","","has coordinates","274417","2022-04-07","22:35:09",""
"7244737","9.996","0.002","14.546","0.002","17.271","0.004","90","","90","","90","","2511.2","0.8","300","2","300","2","","","","","","","synthetic","5","P 21 21 21","P 2ac 2ab","19","","[(Di-tert-butylphosphanyl)ethylcyclopentadienyl-P] (hydrido)(diphenylsilyl)cobalt(III)","","- C27 H38 Co P Si -","- C27 H38 Co P Si -","- C108 H152 Co4 P4 Si4 -","4","1","","Ueda, Masafumi; Mazaki, Yasuhiro","Synthesis and crystal structure of a sulphur-bridged molecular hoop consisting of 5,7,12,14-tetrathiapentacene","RSC Advances","2022","12","18","10870","10874","10.1039/D2RA00489E","","","0.71073","MoKα","","0.0573","0.0331","","0.0586","","0.0564","","","1.102","","","1.295","","","","has coordinates","274425","2022-04-08","01:14:27",""
"7244744","11.8649","0.0003","12.6361","0.0004","15.6655","0.0004","90","","90","","90","","2348.67","0.11","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 P2 -","- C23 H40 P2 -","- C92 H160 P8 -","4","1","","Ziółkowska, Aleksandra; Szynkiewicz, Natalia; Ponikiewski, Łukasz","Activation of the CP bond in phosphanylphosphaalkenes (CP–P bond system) in the reaction with nucleophilic reagents: MeLi, nBuLi and tBuLi","RSC Advances","2022","12","18","10989","10996","10.1039/D1RA09215D","","x-ray","0.71073","MoKα","","0.0489","0.0364","","","0.0784","0.0828","","","","","","1.046","","","","has coordinates","274426","2022-04-08","01:16:07",""
"7244748","7.1291","0.0002","13.5358","0.0005","27.2056","0.0011","90","","90","","90","","2625.29","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Tipiracil hydrochloride methanol solvate - hydrate","","- C37 H58 Cl8 N16 O12 -","- C37 H58 Cl8 N16 O12 -","- C74 H116 Cl16 N32 O24 -","2","0.5","","Barbas, Rafael; Font-Bardia, Mercè; de Sande, Dafne; Frontera, Antonio; Prohens, Rafel","Combined crystallographic and computational investigation of the solvent disorder present in a new tipiracil hydrochloride methanol solvate–hydrate","CrystEngComm","2022","","","","","10.1039/D2CE00161F","","","0.71073","MoKα","","0.0593","0.0498","","","0.1175","0.1255","","","","","","1.048","","","","has coordinates,has disorder","274438","2022-04-08","22:42:27",""
"7244762","7.4299","0.0001","10.3592","0.0002","23.4977","0.0003","90","","90","","90","","1808.57","0.05","173","2","173.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.34139","GaKα","","0.0596","0.0576","","","0.1462","0.148","","","","","","1.074","","","","has coordinates","274467","2022-04-12","01:39:15",""
"7244764","7.43","0.0003","12.1373","0.0005","21.6486","0.0008","90","","90","","90","","1952.27","0.13","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O7 -","- C20 H34 O7 -","- C80 H136 O28 -","4","1","","Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong","New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity","RSC Advances","2022","12","18","11155","11163","10.1039/D2RA01684B","","","1.54178","CuKα","","0.0404","0.0389","","","0.1043","0.1057","","","","","","1.093","","","","has coordinates","274467","2022-04-12","01:39:15",""
"7244808","12.4527","0.0002","13.4693","0.0003","26.9148","0.0005","90","","90","","90","","4514.4","0.15","149.99","0.1","149.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 N3 O5 S -","- C19 H32 N3 O5 S -","- C152 H256 N24 O40 S8 -","8","2","","Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang","Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules","CrystEngComm","2022","","","","","10.1039/D2CE00228K","","x-ray","1.54184","CuKα","","0.0456","0.0402","","","0.1108","0.1139","","","","","","1.067","","","","has coordinates","274566","2022-04-18","22:41:45",""
"7244849","4.1948","0.0004","13.8237","0.0014","16.8348","0.0018","90","","90","","90","","976.21","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H4 Au Br3 F N -","- C5 H4 Au Br3 F N -","- C20 H16 Au4 Br12 F4 N4 -","4","1","","Pizzi, Andrea; Calabrese, Miriam; Daolio, Andrea; Ursini, Maurizio; Frontera, Antonio; Resnati, Giuseppe","Expanding the toolbox of coinage bond: Adducts involving new gold(III) derivatives and bioactive molecules","CrystEngComm","2022","","","","","10.1039/D2CE00446A","","","0.71073","MoKα","","0.0393","0.0333","","","0.0697","0.0719","","","","","","1","","","","has coordinates","274646","2022-04-22","22:32:49",""
"7244855","9.7488","0.0001","9.7803","0.0001","14.7582","0.0001","90","","90","","90","","1407.14","0.02","99.99","0.1","99.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Lu, Hui-Rong; Geng, Hui; Ding, Guan-Tian; Huang, Pei-Qiang","Catalyst- and solvent-free aminolysis of the asymmetric derivatives of Evans’ chiral N-acyloxazolidinones: enantioselective synthesis of chiral amides and its applications","Green Chemistry","2022","24","11","4405","4413","10.1039/D2GC00662F","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0652","0.0654","","","","","","1.061","","","","has coordinates","276627","2022-07-06","08:13:12",""
"7244888","9.6493","0.0004","11.3747","0.0005","23.4471","0.0009","90","","90","","90","","2573.5","0.18","293","2","292.8","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 K N O9 -","- C24 H32 K N O9 -","- C96 H128 K4 N4 O36 -","4","1","","Weirich, Luisa; Tusha, Gers; Engelage, Elric; Schäfer, Lars V.; Merten, Christian","VCD spectroscopy reveals conformational changes of chiral crown ethers upon complexation of potassium and ammonium cations","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01309F","","x-ray","1.54184","CuKα","","0.0486","0.0397","","","0.0982","0.1046","","","","","","1.01","","","","has coordinates","274905","2022-05-05","00:49:12",""
"7244894","6.028","0.0005","12.5634","0.0008","18.7272","0.0016","90","","90","","90","","1418.25","0.19","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 F3 N O2 S -","- C10 H20 F3 N O2 S -","- C40 H80 F12 N4 O8 S4 -","4","1","","Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Mihara, Koichiro; Maity, Ranjan; Papatzimas, James W.; Gelfand, Benjamin S.; Hollenberg, Morley D.; Bahlis, Nizar J.; Derksen, Darren J.","Identification of ligand linkage vectors for the development of p300/CBP degraders","RSC Medicinal Chemistry","2022","","","","","10.1039/D1MD00070E","","","1.54178","CuKα","","0.0514","0.0427","","","0.1056","0.1104","","","","","","1.044","","","","has coordinates","275088","2022-05-05","23:46:25",""
"7244895","8.1112","0.0002","8.1755","0.0003","32.6852","0.0009","90","","90","","90","","2167.46","0.11","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Br2 N2 O6 -","- C22 H16 Br2 N2 O6 -","- C88 H64 Br8 N8 O24 -","4","1","","Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Mihara, Koichiro; Maity, Ranjan; Papatzimas, James W.; Gelfand, Benjamin S.; Hollenberg, Morley D.; Bahlis, Nizar J.; Derksen, Darren J.","Identification of ligand linkage vectors for the development of p300/CBP degraders","RSC Medicinal Chemistry","2022","","","","","10.1039/D1MD00070E","","x-ray","1.54178","CuKα","","0.0555","0.0533","","","0.1256","0.1267","","","","","","1.17","","","","has coordinates,has disorder","275088","2022-05-05","23:46:26",""
"7244896","8.1072","0.0002","8.181","0.0002","32.6881","0.0007","90","","90","","90","","2168.04","0.09","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Br N O3 -","- C11 H8 Br N O3 -","- C88 H64 Br8 N8 O24 -","8","2","","Brownsey, Duncan K.; Rowley, Ben C.; Gorobets, Evgueni; Mihara, Koichiro; Maity, Ranjan; Papatzimas, James W.; Gelfand, Benjamin S.; Hollenberg, Morley D.; Bahlis, Nizar J.; Derksen, Darren J.","Identification of ligand linkage vectors for the development of p300/CBP degraders","RSC Medicinal Chemistry","2022","","","","","10.1039/D1MD00070E","","x-ray","1.54178","CuKα","","0.0358","0.0345","","","0.0831","0.0838","","","","","","1.096","","","","has coordinates,has disorder","275088","2022-05-05","23:46:26",""
"7244957","6.018","0.0002","8.1483","0.0004","9.6871","0.0003","90","","90","","90","","475.02","0.03","120.1","0.3","120.1","0.3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 N2 -","- C4 H6 N2 -","- C16 H24 N8 -","4","1","","Hawkins, Bryson A.; Najib, Elias; Du, Jonathan J.; Lai, Felcia; Platts, James A.; Groundwater, Paul W.; Hibbs, David E.","Exploring the excited-state charge transfer fluorescence profile of 7-hydroxycoumarin and 2-methylimidazole – a combined X-ray diffraction and theoretical approach","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01235A","","x-ray","0.71073","MoKα","","0.0584","0.0509","","","0.1362","0.1406","","","","","","1.041","","","","has coordinates","275537","2022-05-19","00:56:30",""
"7244990","7.3436","0.0002","7.4422","0.0002","20.8254","0.0007","90","","90","","90","","1138.16","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Cl2 N O4 -","- C9 H11 Cl2 N O4 -","- C36 H44 Cl8 N4 O16 -","4","1","","Sori, Lorenzo; Pizzi, Andrea; Demitri, Nicola; Terraneo, Giancarlo; Frontera, Antonio; Metrangolo, Pierangelo","Hydrogen- and halogen bond synergy in the self-assembly of 3,5-dihalo-tyrosines: structural and theoretical insights","CrystEngComm","2022","","","","","10.1039/D2CE00670G","","","0.71073","MoKα","","0.0186","0.0181","","","0.0505","0.0508","","","","","","1.078","","","","has coordinates","275660","2022-05-26","22:31:27",""
"7245058","13.3653","0.0002","14.7692","0.0002","20.6731","0.0003","90","","90","","90","","4080.76","0.1","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Cd2 N6 O10 -","- C34 H32 Cd2 N6 O10 -","- C136 H128 Cd8 N24 O40 -","4","1","","Das, Aniruddha; Ghosh, Subhrajyoti; Bourda, Laurens; SK, Mostakim; Banerjee, Kaustuv; Van Hecke, Kristof; Biswas, Shyam","A Cd(ii)-organic framework as a highly sensitive and rapid fluorometric sensor for ascorbic acid in aqueous medium","CrystEngComm","2022","","","","","10.1039/D2CE00654E","","x-ray","0.71073","MoKα","","0.041","0.0342","","","0.0816","0.0852","","","","","","1.041","","","","has coordinates","276006","2022-06-13","22:35:04",""
"7245068","9.7997","0.0005","16.3983","0.0008","22.936","0.0011","90","","90","","90","","3685.8","0.3","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H18 B F2 N O -","- C23 H18 B F2 N O -","- C184 H144 B8 F16 N8 O8 -","8","2","","Ikeshita, Masahiro; Suzuki, Takato; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01861F","","x-ray","0.71073","MoKα","","0.0945","0.0591","","","0.1493","0.1696","","","","","","1.049","","","","has coordinates","276014","2022-06-14","00:52:40",""
"7245069","6.1678","0.0014","8.1722","0.0013","31.57","0.005","90","","90","","90","","1591.3","0.5","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 B F2 N O -","- C19 H16 B F2 N O -","- C76 H64 B4 F8 N4 O4 -","4","1","","Ikeshita, Masahiro; Suzuki, Takato; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi","Multi-colour circularly polarized luminescence properties of chiral Schiff-base boron difluoride complexes","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP01861F","","x-ray","0.71073","MoKα","","0.2598","0.1104","","","0.1265","0.1626","","","","","","1.004","","","","has coordinates","276014","2022-06-14","00:52:40",""
"7245075","5.15545","0.00011","11.604","0.0002","25.9405","0.0005","90","","90","","90","","1551.86","0.05","117.65","0.1","117.65","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 Cl O5 -","- C20 H13 Cl O5 -","- C80 H52 Cl4 O20 -","4","1","","Xu, Leichuan; Ma, Haoyun; An, Xinkun; Li, Yihao; Zhang, Qian; Liu, Xinlei; Wang, Mingan","Total synthesis, structure revision and cytotoxic activity of Sch 53825 and its derivatives","RSC Advances","2022","12","27","17629","17636","10.1039/D2RA02898K","","x-ray","1.54184","CuKα","","0.0386","0.0369","","","0.0942","0.0962","","","","","","1.03","","","","has coordinates","276035","2022-06-15","01:08:47",""
"7245133","8.3288","0.0003","8.9675","0.0003","17.7852","0.0007","90","","90","","90","","1328.35","0.08","249.99","0.13","249.99","0.13","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 Cs Fe N7 O -","- C7 H8 Cs Fe N7 O -","- C28 H32 Cs4 Fe4 N28 O4 -","4","1","","Li, Qi-Yao; Li, Mao-Fan; Chen, Xiao-Xian; Gong, Ya-Ping; Liu, De-Xuan; Xu, Wei-Jian; Zhang, Wei-Xiong","Near-room-temperature dielectric switch and thermal expansion anomaly in a new hybrid crystal: (Me2NH2)[CsFe(CN)5(NO)]","CrystEngComm","2022","","","","","10.1039/D2CE00754A","","","0.71073","MoKα","","0.0229","0.0204","","","0.0432","0.0443","","","","","","1.043","","","","has coordinates","276458","2022-06-30","22:36:10",""
"7245173","7.9006","0.0011","14.2403","0.0019","35.402","0.005","90","","90","","90","","3983","1","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 N3 O12 P3 -","- C42 H30 N3 O12 P3 -","- C168 H120 N12 O48 P12 -","4","1","","Lv, Mei-Xin; Jiang, Shan; Wang, Chen; Dong, Qi; Bai, Feng-Ying; Xing, Yong-Heng","Heterocyclic compounds bearing s-triazine and cyclotriphosphazene scaffolds: facile synthesis, hydrogen-bonded organic framework construction and fluorescent amine sensing","CrystEngComm","2022","","","","","10.1039/D2CE00717G","","","0.71073","MoKα","","0.1053","0.065","","","0.1749","0.2017","","","","","","1.048","","","","has coordinates","276818","2022-07-22","23:33:41",""
"7245186","5.21734","0.00027","6.6613","0.00024","22.6335","0.0009","90","","90","","90","","786.61","0.06","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 Br N O2 -","- C8 H4 Br N O2 -","- C32 H16 Br4 N4 O8 -","4","1","","Momenzadeh Abardeh, Zahrasadat; Salimi, Alireza; Oganov, Artem R.","Crystal structure prediction of N-halide phthalimide compounds: Halogen bond synthon as a touchstone","CrystEngComm","2022","","","","","10.1039/D2CE00476C","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.08395","","0.98","","","","","","","has coordinates","276823","2022-07-22","23:37:36",""
"7245197","11.9882","0.0007","12.7368","0.0008","16.1339","0.0009","90","","90","","90","","2463.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 O8 P -","- C24 H27 O8 P -","- C96 H108 O32 P4 -","4","1","","Li, Hai; Yu, Kai-Cheng; Su, Jia-Kun; Ouyang, Wei; Fan, Nai-Li; Hu, Xiang-Guo","Photo-mediated synthesis of 1,2-dideoxy-2-phosphinylated carbohydrates from glycals: the reduction of glycosyl radicals to glycosyl anions","Green Chemistry","2022","24","21","8280","8291","10.1039/D2GC01513G","","","0.71073","MoKα","","0.0476","0.042","","","0.1002","0.1033","","","","","","1.047","","","","has coordinates","278992","2022-11-07","05:26:47",""
"7245278","10.6469","0.0003","15.8266","0.0004","28.9384","0.0007","90","","90","","90","","4876.2","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O3 S -","- C28 H30 N2 O3 S -","- C224 H240 N16 O24 S8 -","8","2","","SCHLIMPEN, Fabian; AST, Tun; Benneteau, Valerie; Pale, Patrick; Chassaing, Stefan","From A3/KA2 to AYA/KYA Multicomponent Coupling Reactions with Terminal Ynamides as Alkyne Surrogates - A Direct, Green Route to γ-Amino-Ynamides","Green Chemistry","2022","","","","","10.1039/D2GC00966H","","","1.54178","CuKα","","0.0356","0.0327","","","0.0886","0.0907","","","","","","1.043","","","","has coordinates","277161","2022-08-09","00:15:32",""
"7245290","9.0543","0.0002","13.035","0.0002","34.3367","0.0006","90","","90","","90","","4052.51","0.13","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Cl F5 N2 O1.5 -","- C21 H17 Cl F5 N2 O1.5 -","- C168 H136 Cl8 F40 N16 O12 -","8","2","","Yamasaki, Ryu; Harada, Misuzu; Ito, Ai; Fukuda, Kazuo; Matsumoto, Shota; Karasawa, Satoru; Okamoto, Iwao","Reversible On/Off Conformational Switching of Pentafluorobenzoyl Amide Triggered by Acid Vapor and Sublimation","CrystEngComm","2022","","","","","10.1039/D2CE00972B","","x-ray","1.54184","CuKα","","0.0643","0.0524","","","0.1186","0.1323","","","","","","1.117","","","","has coordinates","277197","2022-08-10","22:38:56",""
"7245297","8.5398","0.0003","11.8631","0.0004","17.8926","0.0007","90","","90","","90","","1812.67","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H29 K O6 -","- C12 H29 K O6 -","- C48 H116 K4 O24 -","4","1","","Buldashov, Ivan A.; Medvedev, Alexander G.; Mikhaylov, Alexey A.; Andrei, Churakov; Lev, Ovadia; Prikhodchenko, Petr V.","Non-covalent interactions of hydroperoxo group in crystalline adducts of organic hydroperoxides and their potassium salts","CrystEngComm","2022","","","","","10.1039/D2CE01017H","","","0.71073","MoKα","","0.0417","0.0338","","","0.059","0.0613","","","","","","1.054","","","","has coordinates","277221","2022-08-12","22:40:37",""
"7245300","8.016","0.003","15.184","0.007","21.635","0.009","90","","90","","90","","2633.3","1.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Bi Br5 N2 -","- C18 H28 Bi Br5 N2 -","- C72 H112 Bi4 Br20 N8 -","4","1","","SAHOO, SUPRIYA; Deka, Nilotpal; Boomishankar, Ramamoorthy","Piezoelectric Energy Harvesting of a Bismuth Halide Perovskite Stabilised by Chiral Ammonium Cations","CrystEngComm","2022","","","","","10.1039/D2CE00866A","","","0.71073","MoKα","","0.0448","0.0348","","","0.072","0.0764","","","","","","1.123","","","","has coordinates","277223","2022-08-12","22:41:19",""
"7245301","7.903","0.002","14.943","0.004","21.449","0.006","90","","90","","90","","2533","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 Bi Br5 N2 -","- C18 H28 Bi Br5 N2 -","- C72 H112 Bi4 Br20 N8 -","4","1","","SAHOO, SUPRIYA; Deka, Nilotpal; Boomishankar, Ramamoorthy","Piezoelectric Energy Harvesting of a Bismuth Halide Perovskite Stabilised by Chiral Ammonium Cations","CrystEngComm","2022","","","","","10.1039/D2CE00866A","","","0.71073","MoKα","","0.0773","0.0545","","","0.0846","0.0933","","","","","","1.102","","","","has coordinates","277223","2022-08-12","22:41:19",""
"7245334","9.7672","0.0003","12.4444","0.0004","12.5674","0.0003","90","","90","","90","","1527.53","0.08","100","2","100.01","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","6-(4,4-dimethyl-2-oxazolin-2-yl)-7-fluoro-1,1-dimethyl-3-hydroxybenzo[1,2,3]siloxaborole","","- C13 H17 B F N O3 Si -","- C13 H17 B F N O3 Si -","- C52 H68 B4 F4 N4 O12 Si4 -","4","1","","Krajewska, Joanna; Nowicki, Krzysztof; Durka, Krzysztof; Marek-Urban, Paulina H.; Wińska, Patrycja; Stępniewski, Tomasz; Woźniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Oxazoline scaffold in synthesis of benzosiloxaboroles and related ring-expanded heterocycles: diverse reactivity, structural peculiarities and antimicrobial activity","RSC Advances","2022","12","36","23099","23117","10.1039/D2RA03910A","","x-ray","1.54184","CuKα","","0.0265","0.0252","","","0.0667","0.0677","","","","","","1.037","","","","has coordinates","277274","2022-08-17","01:07:00",""
"7245348","6.2427","0.0005","7.8871","0.0006","29.178","0.002","90","","90","","90","","1436.63","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 B N3 O -","- C15 H20 B N3 O -","- C60 H80 B4 N12 O4 -","4","1","","Miao, Yu-Qi; Li, Xin-Ying; Pan, Qiao-Jing; Ma, Yubin; Kang, Jia-Xin; Ma, Yan-Na; Liu, Zhenxing; Chen, Xuenian","A general photo-induced wide-scope regioselective hydroboration of alkenes without using a photocatalyst or an external initiator","Green Chemistry","2022","24","18","7113","7121","10.1039/D2GC02313J","","x-ray","1.54184","CuKα","","0.065","0.0452","","","0.1025","0.1264","","","","","","1.096","","","","has coordinates","278428","2022-10-07","00:56:48",""
"7245377","3.9858","0.0007","13.451","0.002","25.545","0.004","90","","90","","90","","1369.5","0.4","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-3-(2,4-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one","","- C13 H6 Cl4 O S -","- C13 H6 Cl4 O S -","- C52 H24 Cl16 O4 S4 -","4","1","","Wong, Qin Ai; Quah, Ching Kheng; Wong, Xin Ai; Win, Yip-Foo; Kwong, Huey Chong; Patil, Parutagouda Shankaragouda; Gummagol, Neelamma B.; Soma, Venugopal Rao","A Comprehensive Study on the Photophysical and Non-Linear Optical Properties of Thienyl-Chalcone Derivatives.","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP02127G","","","0.71073","MoKα","","0.0578","0.0401","","","0.0752","0.0836","","","","","","1.028","","","","has coordinates","277365","2022-08-24","00:33:13",""
"7245403","6.42709","0.00019","8.2638","0.0002","30.7804","0.0011","90","","90","","90","","1634.81","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Zhang, Bing-Wen; Jiang, Li; Li, Zhuang; Gao, Xue-Hui; Cao, Fei; Lu, Xin-hua; Shen, Wen-Bin; Zhang, Xue-Xia; Kong, Fan-Dong; Luo, Du-Qiang","Carotane sesquiterpenoids A–G from the desert endophytic fungus Fusarium sp. HM 166","RSC Advances","2022","12","38","24590","24595","10.1039/D2RA02762C","","","1.54184","CuKα","","0.0444","0.0427","","","0.1116","0.1133","","","","","","1.038","","","","has coordinates","277531","2022-09-01","01:29:00",""
"7245497","11.0777","0.0003","12.1942","0.0004","44.1788","0.0014","90","","90","","90","","5967.8","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl N Zr -","- C22 H30 Cl N Zr -","- C264 H360 Cl12 N12 Zr12 -","12","3","","Lindenau, Kevin; Spannenberg, Anke; Reiß, Fabian; Beweries, Torsten","Mono- and dinuclear zirconocene(iv) amide complexes for the catalytic dehydropolymerisation of phenylsilane","RSC Advances","2022","12","40","26277","26283","10.1039/D2RA04955D","","","0.71073","MoKα","","0.0299","0.0283","","","0.0653","0.0661","","","","","","1.095","","","","has coordinates,has disorder","277911","2022-09-16","00:18:43",""
"7245522","8.888","0.003","13.957","0.004","15.546","0.004","90","","90","","90","","1928.5","1","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","zk-2","","- C21 H18 Br N O3 -","- C21 H18 Br N O3 -","- C84 H72 Br4 N4 O12 -","4","1","","Wang, Jiao-Mei; Zhao, Yu; Yao, Chang-Sheng; Zhang, Kai","Stereoselective synthesis of C3-tetrasubstituted oxindoles via copper catalyzed asymmetric propargylation","RSC Advances","2022","12","41","26727","26732","10.1039/D2RA04603B","","","0.71073","MoKα","","0.0545","0.0371","","","0.0882","0.0948","","","","","","1.009","","","","has coordinates","278062","2022-09-22","01:10:18",""
"7245601","8.2367","0.0002","9.9002","0.0003","17.2237","0.0005","90","","90","","90","","1404.51","0.07","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","napalilactone","","- C14 H21 Cl O3 -","- C14 H21 Cl O3 -","- C56 H84 Cl4 O12 -","4","1","","Phan, Gia Hung; Hu, Hao-Chun; Chang, Fang-Rong; Wen, Zhi-Hong; Chen, Jih-Jung; Chung, Hsu-Ming; Tsai, Yu-Chi; Sung, Ping-Jyun","Norsesquiterpenoids from the octocoral Paralemnalia thyrsoides (Ehrenberg 1834)","RSC Advances","2022","12","43","27970","27976","10.1039/D2RA05015C","","","0.71073","MoKα","","0.0621","0.046","","","0.106","0.1248","","","","","","1.159","","","","has coordinates","278295","2022-10-01","01:13:41",""
"7245625","11.2705","0.0001","12.223","0.0002","20.2303","0.0002","90","","90","","90","","2786.91","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O4 S -","- C15 H14 N2 O4 S -","- C120 H112 N16 O32 S8 -","8","2","","Wang, Hai-Xia; Li, Zhi-Hao; Li, Wan-Wan; Qu, Gui-Rong; Yang, Qi-Liang; Guo, Hai-Ming","Electrochemically driven oxidative C–H/N–H cross-coupling reactions of cyclic sulfamidate imines with primary anilines and secondary amines","Green Chemistry","2022","24","21","8377","8385","10.1039/D2GC03218J","","x-ray","1.54184","CuKα","","0.034","0.0322","","","0.0879","0.0896","","","","","","1.044","","","","has coordinates","278993","2022-11-07","05:26:57",""
"7245650","18.2794","0.0005","29.9253","0.0008","13.2838","0.0003","90","","90","","90","","7266.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C255 H287 Cu8 N37 O51 -","- C255 H259 Cu8 N37 O51 -","- C255 H259 Cu8 N37 O51 -","1","0.25","","Ju, Huiyeong; Kim, Seulgi; Jung, Jong Hwa; Lee, Shim Sung","A series of entangled MOFs constructed from flexible dipyridyl piperazine and rigid dicarboxylate: interpenetration, self-penetration and polycatenation","CrystEngComm","2022","","","","","10.1039/D2CE00745B","","","0.71073","MoKα","","0.1149","0.0721","","","0.1883","0.216","","","","","","1.031","","","","has coordinates","278531","2022-10-11","22:41:53",""
"7245679","5.2226","0.0003","12.772","0.0007","19.8559","0.0011","90","","90","","90","","1324.45","0.13","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N2 O6 -","- C12 H16 N2 O6 -","- C48 H64 N8 O24 -","4","1","","Walczak, Dominik; Sikorski, Artur; Grzywacz, Daria; Nowacki, Andrzej; Liberek, Beata","Characteristic 1H NMR spectra of β-d-ribofuranosides and ribonucleosides: factors driving furanose ring conformations","RSC Advances","2022","12","45","29223","29239","10.1039/D2RA04274F","","","0.71073","MoKα","","0.0591","0.048","","","0.1026","0.1068","","","","","","1.11","","","","has coordinates","278579","2022-10-14","01:14:13",""
"7245786","7.6827","0.0002","16.9136","0.0006","21.7131","0.0006","90","","90","","90","","2821.45","0.15","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 N6 O8 S2 -","- C22 H38 N6 O8 S2 -","- C88 H152 N24 O32 S8 -","4","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0448","0.0406","","","0.0995","0.1022","","","","","","1.056","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245787","8.32784","0.00012","14.8045","0.0002","21.3026","0.0003","90","","90","","90","","2626.39","0.06","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 N6 O7 S2 -","- C22 H32 N6 O7 S2 -","- C88 H128 N24 O28 S8 -","4","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.0432","0.0424","","","0.113","0.114","","","","","","1.034","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245793","9.5807","0.0002","15.5281","0.0003","21.0679","0.0004","90","","90","","90","","3134.27","0.11","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N6 O8 S2 -","- C24 H40 N6 O8 S2 -","- C96 H160 N24 O32 S8 -","4","1","","Qin, Shu-Qin; Xu, Wei; Ye, Wen-Cai; Jiang, Ren-Wang","Structure determination of liquid molecules by encapsulation in an aromatic cavity with hydrogen bonding and enhanced C–H⋯π interactions","CrystEngComm","2022","","","","","10.1039/D2CE01033J","","x-ray","1.54184","CuKα","","0.042","0.0364","","","0.0905","0.0944","","","","","","1.033","","","","has coordinates","279218","2022-11-10","23:42:42",""
"7245797","10.7412","0.0005","12.9279","0.0007","19.3249","0.0012","90","","90","","90","","2683.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H43 N5 Ni O11 -","- C15 H43 N5 Ni O11 -","- C60 H172 N20 Ni4 O44 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0648","0.0431","","","0.0879","0.0995","","","","","","1.057","","","","has coordinates","279226","2022-11-11","02:22:06",""
"7245799","14.3688","0.0011","16.6075","0.0014","24.609","0.002","90","","90","","90","","5872.4","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H66 Cl6 Co3 N6 O6 -","- C48 H66 Cl6 Co3 N6 O6 -","- C192 H264 Cl24 Co12 N24 O24 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.1363","0.0961","","","0.261","0.304","","","","","","1.06","","","","has coordinates","279226","2022-11-11","02:22:08",""
"7245802","9.134","0.0008","15.3961","0.0013","28.66","0.003","90","","90","","90","","4030.4","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 Cl2 Cu2 N4 O13 -","- C32 H43 Cl2 Cu2 N4 O13 -","- C128 H172 Cl8 Cu8 N16 O52 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","1.34138","GaKα","","0.1088","0.0909","","","0.2565","0.2746","","","","","","1.029","","","","has coordinates","279226","2022-11-11","02:22:09",""
"7245803","11.3519","0.0012","14.6691","0.0013","16.658","0.0016","90","","90","","90","","2773.9","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H45 Cl2 N3 O3 Zn -","- C18 H45 Cl2 N3 O3 Zn -","- C72 H180 Cl8 N12 O12 Zn4 -","4","1","","Umar, Q.; Huang, Y.; Nazeer, A.; Yin, H.; Zhang, J. C.; Luo, M.; Meng, X. G.","Synthesis, characterization and anticancer activities of Zn2+, Cu2+, Co2+ and Ni2+ complexes involving chiral amino alcohols","RSC Advances","2022","12","49","32119","32128","10.1039/D2RA05576G","","","0.71073","MoKα","","0.0935","0.0514","","","0.1076","0.1299","","","","","","1.026","","","","has coordinates,has disorder","279226","2022-11-11","02:22:09",""
"7245856","6.3684","0.0002","7.8176","0.0002","18.5044","0.0007","90","","90","","90","","921.25","0.05","99.98","0.1","99.98","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(R)-Pregabalin","(R)-3-isobutyl-Î^3^-aminobutyric acid","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.043","0.0405","","","0.0975","0.0995","","","","","","1.053","","","","has coordinates","279369","2022-11-17","23:34:24",""
"7245857","7.5009","0.0001","7.5581","0.0001","26.1805","0.0003","90","","90","","90","","1484.24","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Pregabalin (S)-Malic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (S)-2-Hydroxysuccinic acid","","- C12 H23 N O7 -","- C12 H23 N O7 -","- C48 H92 N4 O28 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0268","0.0249","","","0.0586","0.0594","","","","","","1.053","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245858","7.4404","0.0001","7.7039","0.0001","25.9566","0.0003","90","","90","","90","","1487.83","0.03","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Pregabalin (R)-Malic Acid","(S)-3-isobutyl-Î^3^-aminobutyric acid (R)-2-Hydroxysuccinic acid","","- C12 H23 N O7 -","- C12 H23 N O7 -","- C48 H92 N4 O28 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0306","0.0301","","","0.0774","0.0778","","","","","","1.109","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245859","6.3444","0.0002","7.8094","0.0003","18.4933","0.0006","90","","90","","90","","916.27","0.05","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S)-Pregabalin","(S)-3-isobutyl-Î^3^-aminobutyric acid","","- C8 H17 N O2 -","- C8 H17 N O2 -","- C32 H68 N4 O8 -","4","1","","Komisarek, Daniel; Haj Hassani Sohi, Takin; Vasylyeva, Vera","Co-Crystals of Zwitterionic GABA API’s Pregabalin and Phenibut: Properties and Application","CrystEngComm","2022","","","","","10.1039/D2CE01416E","","x-ray","1.54184","CuKα","","0.0321","0.0301","","","0.0771","0.0786","","","","","","1.043","","","","has coordinates","279369","2022-11-17","23:34:25",""
"7245888","5.2711","0.0007","14.3697","0.0017","23.766","0.003","90","","90","","90","","1800.1","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Cu I2 N2 O3 -","- C15 H12 Cu I2 N2 O3 -","- C60 H48 Cu4 I8 N8 O12 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0595","0.0413","","","0.0816","0.0878","","","","","","0.952","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245951","9.089","0.003","11.287","0.003","13.926","0.004","90","","90","","90","","1428.6","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 N5 S -","- C10 H23 N5 S -","- C40 H92 N20 S4 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","1.54178","CuKα","","0.0531","0.0441","","","0.1011","0.1061","","","","","","1.082","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245984","9.7052","0.0019","13.015","0.003","19.712","0.004","90","","90","","90","","2489.9","0.9","293.15","","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 Cl N4 O5 -","- C27 H27 Cl N4 O5 -","- C108 H108 Cl4 N16 O20 -","4","1","","Alizadeh, Abdolali; Bagherinejad, Akram; Kayanian, Jasmine; Vianello, Robert","An expedient metal-free cascade route to chromonyl diene scaffolds: thermodynamic vs. kinetic control","RSC Advances","2022","12","54","34946","34950","10.1039/D2RA05704B","","x-ray","0.71073","MoKα","","0.0524","0.049","","","0.1234","0.1247","","","","","","1.079","","","","has coordinates","279801","2022-12-08","02:19:02",""
"7245989","8.614","0.002","19.486","0.004","20.323","0.004","90","","90","","90","","3411.3","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H35 N O4 -","- C44 H35 N O4 -","- C176 H140 N4 O16 -","4","1","","Pauk, Karel; Luňák, Stanislav; R°užička, Aleš; Marková, Aneta; Teichmanová, Kateřina; Mausová, Anna; Kratochvíl, Matouš; Smolka, Rastislav; Mikysek, Tomáš; Weiter, Martin; Imramovský, Aleš; Vala, Martin","Colour-tuneable solid-state fluorescence of crystalline powders formed from push–pull substituted 2,5-diphenyl-stilbenes","RSC Advances","2022","12","54","34797","34807","10.1039/D2RA05593G","","","0.71073","MoKα","","0.0926","0.0623","","","0.0901","0.0968","","","","","","1.042","","","","has coordinates","279816","2022-12-09","02:14:50",""
"7245994","7.685","0.002","9.764","0.003","52.921","0.016","90","","90","","90","","3971","2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 N6 O4 -","- C41 H56 N6 O4 -","- C164 H224 N24 O16 -","4","1","","Tiwari, Shubhanshu Ranjan; Gopi, Shanmukha Prasad; Kallem, Divya Jyothi; Chaturvedi, Deepika; Voguri, Raja Sekhar; Ramakrishnan, Srividya; Dey, Archan; Pal, Sharmistha","Physicochemical and thermodynamic evaluation of ibrutinib cocrystal formation with a long-chain fatty acid","CrystEngComm","2023","25","4","601","613","10.1039/D2CE01216B","","","0.71073","MoKα","","0.107","0.0599","","","0.1209","0.1385","","","","","","1.041","","","","has coordinates","281434","2023-03-04","18:15:21",""
"7246049","7.9459","0.0009","13.5525","0.0012","15.5352","0.0009","90","","90","","90","","1672.9","0.3","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H25 N O7 S -","- C13 H25 N O7 S -","- C52 H100 N4 O28 S4 -","4","1","","Kuhl, Nadine; Turnbull, Ben W. H.; Ji, Yining; Larson, Reed T.; Shevlin, Michael; Prier, Christopher K.; Chung, Cheol K.; Desmond, Richard; Guetschow, Erik; He, Cyndi Qixin; Itoh, Tetsuji; Kuethe, Jeffrey T.; Newman, Justin A.; Reibarkh, Mikhail; Rivera, Nelo R.; Shang, Gao; Wang, Zhixun; Zewge, Daniel; Thaisrivongs, David A.","Utilizing biocatalysis and a sulfolane-mediated reductive acetal opening to access nemtabrutinib from cyrene","Green Chemistry","2023","25","2","606","613","10.1039/D2GC04117K","","","1.54184","CuKα","","0.0329","0.0307","","","0.0803","0.0823","","","","","","1.049","","","","has coordinates","281478","2023-03-04","18:24:56",""
"7246050","6.1009","0.0003","12.5179","0.0006","19.3009","0.0011","90","","90","","90","","1474.02","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 S -","- C13 H19 N O5 S -","- C52 H76 N4 O20 S4 -","4","1","","Kuhl, Nadine; Turnbull, Ben W. H.; Ji, Yining; Larson, Reed T.; Shevlin, Michael; Prier, Christopher K.; Chung, Cheol K.; Desmond, Richard; Guetschow, Erik; He, Cyndi Qixin; Itoh, Tetsuji; Kuethe, Jeffrey T.; Newman, Justin A.; Reibarkh, Mikhail; Rivera, Nelo R.; Shang, Gao; Wang, Zhixun; Zewge, Daniel; Thaisrivongs, David A.","Utilizing biocatalysis and a sulfolane-mediated reductive acetal opening to access nemtabrutinib from cyrene","Green Chemistry","2023","25","2","606","613","10.1039/D2GC04117K","","","1.54178","CuKα","","0.0479","0.0431","","","0.1073","0.111","","","","","","1.074","","","","has coordinates,has disorder","281478","2023-03-04","18:24:56",""
"7246102","4.1264","0.0006","10.7891","0.0016","31.194","0.004","90","","90","","90","","1388.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.265","0.0966","","","0.1438","0.1874","","","","","","1.006","","","","has coordinates","281448","2023-03-04","18:18:21",""
"7246161","15.1736","0.0004","20.3459","0.0006","21.9689","0.0006","90","","90","","90","","6782.3","0.3","210","1","210","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H52 O7 Os3 P2 Sb2 -","- C68 H52 O7 Os3 P2 Sb2 -","- C272 H208 O28 Os12 P8 Sb8 -","4","1","","Islam, Fahmida; Hasan, Md. Sohag; Ghosh, Shishir; Richmond, Michael G.; Kabir, Shariff E.; Roesky, Herbert W.","Reactions of diphosphine-stabilized Os3 clusters with triphenylantimony: syntheses and structures of new antimony-containing Os3 clusters via Sb–Ph bond cleavage","RSC Advances","2023","13","5","2841","2851","10.1039/D2RA07284J","","","0.71073","MoKα","","0.0286","0.0265","","","0.0596","0.0603","","","","","","1.116","","","","has coordinates","280427","2023-01-19","02:04:28",""
"7246162","5.2907","0.0009","14.516","0.002","23.891","0.004","90","","90","","90","","1834.8","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 N O2 S -","- C9 H11 N O2 S -","- C72 H88 N8 O16 S8 -","8","2","","Guo, Mengping; Li, Yingmin; Wen, Yongju; Shen, Xiuli","Synthesis of aryloxyacetamides from arylboronic acids and 2-bromoacetonitrile promoted by alkaline solutions of hydrogen peroxide","RSC Advances","2023","13","4","2631","2634","10.1039/D2RA07451F","","x-ray","0.71073","MoKα","","0.0576","0.0503","","","0.1052","0.1111","","","","","","1.036","","","","has coordinates","280428","2023-01-19","02:05:26",""
"7246185","7.7837","0.0001","31.1021","0.0004","8.6447","0.0001","90","","90","","90","","2092.79","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O -","- C27 H27 N O -","- C108 H108 N4 O4 -","4","1","","Luo, Yu; Wang, Xilong; Liu, Qianwen; He, Yimiao; Li, Jing; Luo, Shuang; Zhu, Qiang","Palladium-catalyzed alkyne hydrocarbonylation under atmospheric pressure of carbon monoxide in the presence of hydrosilane","Green Chemistry","2023","25","3","1120","1127","10.1039/D2GC04689J","","x-ray","1.54184","CuKα","","0.0484","0.0471","","","0.1222","0.1231","","","","","","1.061","","","","has coordinates","281483","2023-03-04","18:25:39",""
"7246211","8.2281","0.0001","10.5056","0.0001","21.3512","0.0003","90","","90","","90","","1845.62","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O7 -","- C20 H16 N2 O7 -","- C80 H64 N8 O28 -","4","1","","Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish","Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing.","Physical chemistry chemical physics : PCCP","2023","25","7","5849","5856","10.1039/d2cp05462k","","x-ray","1.54184","CuKα","","0.0449","0.0385","","","0.0964","0.0991","","","","","","1.083","","","","has coordinates","281603","2023-03-04","18:46:15",""
"7246219","3.958","0.0002","18.2868","0.0008","20.5693","0.0008","90","","90","","90","","1488.79","0.12","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Yang, Ying; Zhao, Jianjuan; Zhang, Xinyuan; Hu, Zhanggui; Wu, Yicheng","Synthesis and characterization of a new isoxazolone-based nonlinear optical crystal: MPMOI","CrystEngComm","2023","25","8","1313","1318","10.1039/D2CE01299E","","","1.54178","CuKα","","0.0516","0.0432","","","0.0967","0.1045","","","","","","1.099","","","","has coordinates","281410","2023-03-04","18:08:58",""
"7246241","7.1781","0.0003","7.832","0.0003","41.7968","0.0016","90","","90","","90","","2349.77","0.16","298","0.2","298","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Cl2 N O8 -","- C21 H27 Cl2 N O8 -","- C84 H108 Cl8 N4 O32 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P.","Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination","CrystEngComm","2023","25","11","1693","1702","10.1039/D3CE00094J","","","1.54178","CuKα","","0.0718","0.0597","","","0.1636","0.1764","","","","","","1.039","","","","has coordinates","282327","2023-04-04","10:13:25",""
"7246322","5.942","0.0004","18.6317","0.0017","20.5632","0.0013","90","","90","","90","","2276.5","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 N8 O0.25 S8 Se8 -","- C27 H21 N O2 S Se -","- C108 H84 N4 O8 S4 Se4 -","4","1","","Yu, Minhui; Jin, Tao; Wang, Xiaohua; Li, Haohu; Ji, Decai; Yao, Jinzhong; Zeng, Heyang; Shi, Senlei; Xu, Kaimeng; Zhang, Lianpeng","Regioselective intramolecular cyclization of o-alkynyl arylamines with the in situ formation of ArXCl to construct poly-functionalized 3-selenylindoles","RSC Advances","2023","13","9","6210","6216","10.1039/D3RA00030C","","x-ray","0.71073","MoKα","","0.0935","0.0426","","","0.0601","0.0701","","","","","","0.904","","","","has coordinates","281095","2023-02-22","11:51:19",""
"7246330","6.3532","0.0004","21.0244","0.0012","22.6649","0.0018","90","","90","","90","","3027.4","0.4","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arbutin DMA solvent compound; solvate S4","Arbutin DMA solvate","","- C28 H41 N O15 -","- C28 H41 N O15 -","- C112 H164 N4 O60 -","4","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.1042","0.0646","","","0.1134","0.1346","","","","","","1.032","","","","has coordinates","283210","2023-05-05","01:25:04",""
"7246332","6.3606","0.0003","20.5593","0.0009","23.4018","0.0009","90","","90","","90","","3060.2","0.2","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arbutin NMP solvent compound;solvate S5","Arbutin NMP solvate","","- C29 H41 N O15 -","- C29 H41 N O15 -","- C116 H164 N4 O60 -","4","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.0991","0.0615","","","0.1049","0.1239","","","","","","1.04","","","","has coordinates,has disorder","283210","2023-05-05","01:25:21",""
"7246404","12.1962","0.0001","14.5964","0.0001","15.1337","0.0002","90","","90","","90","","2694.11","0.05","276.85","0.13","276.85","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","","1.54178","CuKα","","0.0343","0.0326","","","0.0918","0.0932","","","","","","1.048","","","","has coordinates,has disorder","283214","2023-05-05","01:26:50",""
"7246405","12.1948","0.00012","14.5982","0.00014","15.13607","0.00015","90","","90","","90","","2694.56","0.05","275.58","0.1","275.58","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.032","0.0304","","","0.0849","0.0861","","","","","","1.056","","","","has coordinates","283214","2023-05-05","01:26:53",""
"7246408","12.1955","0.0001","14.5967","0.0001","15.1339","0.0001","90","","90","","90","","2694.05","0.03","276.17","0.13","276.17","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0356","0.0339","","","0.093","0.0941","","","","","","1.05","","","","has coordinates,has disorder","283214","2023-05-05","01:27:05",""
"7246409","12.18719","0.00019","14.6021","0.0002","15.1221","0.0002","90","","90","","90","","2691.11","0.07","299.5","0.18","299.5","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0402","0.0384","","","0.1023","0.1039","","","","","","1.085","","","","has coordinates","283214","2023-05-05","01:27:08",""
"7246452","4.9594","0.0001","10.7311","0.0001","27.2017","0.0003","90","","90","","90","","1447.67","0.04","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-(2-chlorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H19 Cl2 N -","- C13 H19 Cl2 N -","- C52 H76 Cl8 N4 -","4","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","1.54184","CuKα","","0.0306","0.0297","","","0.0858","0.0867","","","","","","1.032","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246454","4.9604","0.0002","10.8195","0.0004","29.3754","0.001","90","","90","","90","","1576.55","0.1","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-(2-bromo-3-methylphenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C14 H21 Br Cl N -","- C14 H21 Br Cl N -","- C56 H84 Br4 Cl4 N4 -","4","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0375","0.035","","","0.0842","0.0855","","","","","","1.088","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246456","7.6197","0.0002","14.1232","0.0003","27.1001","0.0007","90","","90","","90","","2916.36","0.12","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-(2-bromo-4-fluorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H18 Br Cl F N -","- C13 H18 Br Cl F N -","- C104 H144 Br8 Cl8 F8 N8 -","8","2","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0529","0.0427","","","0.0909","0.0959","","","","","","0.997","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246458","4.7559","0.0002","10.6799","0.0004","28.6366","0.0009","90","","90","","90","","1454.53","0.09","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-(2-bromo-6-fluorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H18 Br Cl F N -","- C13 H18 Br Cl F N -","- C52 H72 Br4 Cl4 F4 N4 -","4","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0467","0.0394","","","0.0842","0.0879","","","","","","1.06","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246473","8.2027","0.0003","13.5124","0.0004","14.3668","0.0005","90","","90","","90","","1592.39","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 I3 N2 O2 -","- C12 H13 I3 N2 O2 -","- C48 H52 I12 N8 O8 -","4","1","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.0709","0.039","","","0.05","0.0557","","","","","","0.994","","","","has coordinates","283508","2023-05-05","03:35:54",""
"7246496","5.4795","0.0004","11.4206","0.0009","19.3592","0.0016","90","","90","","90","","1211.48","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","","Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song","Synthesis of renewable isoindolines from bio-based furfurals","Green Chemistry","2023","25","8","3297","3305","10.1039/D2GC04786A","","","0.71073","MoKα","","0.0543","0.0413","","","0.0881","0.0922","","","","","","1.013","","","","has coordinates","283360","2023-05-05","02:47:40",""
"7246523","6.2342","0.0008","14.8463","0.0018","18.019","0.002","90","","90","","90","","1667.7","0.3","294.15","","294.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F6 N2 O -","- C17 H14 F6 N2 O -","- C68 H56 F24 N8 O4 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.1338","0.0742","","","0.1735","0.2074","","","","","","1.041","","","","has coordinates,has disorder","283201","2023-05-05","01:19:49",""
"7246535","9.5113","0.0004","12.2963","0.0005","14.3259","0.0005","90","","90","","90","","1675.47","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0259","0.0258","","","0.0675","0.0676","","","","","","1.043","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246537","9.7147","0.0005","13.1197","0.0007","13.9392","0.0008","90","","90","","90","","1776.61","0.17","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0287","0.0284","","","0.0763","0.0768","","","","","","1.046","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246538","11.1727","0.0013","12.5417","0.0014","13.6848","0.0016","90","","90","","90","","1917.6","0.4","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O2 -","- C22 H32 O2 -","- C88 H128 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0297","0.0293","","","0.0772","0.0776","","","","","","1.088","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246539","10.1971","0.0006","13.0846","0.0008","13.6747","0.0008","90","","90","","90","","1824.55","0.19","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0252","0.025","","","0.0644","0.0645","","","","","","1.034","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246545","6.6428","0.0003","14.1206","0.0007","18.279","0.0009","90","","90","","90","","1714.58","0.14","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 N2 O6 S -","- C14 H26 N2 O6 S -","- C56 H104 N8 O24 S4 -","4","1","","Haku, Ryotaro; Takatori, Kazuhiko; Suzuki, Naoto; Ono, Makoto; Titapiwatanakun, Varin; Fukami, Toshiro","Exploration and characterization of a novel cocrystal hydrate consisting of captopril, an amino acid-derived drug","CrystEngComm","2023","25","17","2523","2533","10.1039/D3CE00181D","","","1.54187","CuKα","","0.0326","0.0321","","","0.0904","0.0908","","","","","","1.069","","","","has coordinates","283199","2023-05-05","01:19:09",""
"7246558","9.0173","0.0003","10.8659","0.0003","18.6542","0.0006","90","","90","","90","","1827.76","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","sinulariaone","","- C20 H32 O2 -","- C20 H32 O2 -","- C80 H128 O8 -","4","1","","Tseng, Hsuan-Jung; Kuo, Liang-Mou; Tsai, Yu-Chi; Hu, Hao-Chun; Chen, Po-Jen; Chien, Su-Ying; Sheu, Jyh-Horng; Sung, Ping-Jyun","Sinulariaone A: a novel diterpenoid with a 13-membered carbocyclic skeleton from an octocoral Sinularia species","RSC Advances","2023","13","15","10408","10413","10.1039/D3RA01589K","","","1.54178","CuKα","","0.068","0.0601","","","0.1637","0.1772","","","","","","1.264","","","","has coordinates","282234","2023-04-04","01:25:39",""
"7246562","7.3344","0.0002","14.2208","0.0004","24.1002","0.0006","90","","90","","90","","2513.68","0.12","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","A9","","- C28 H35 N O4 -","- C28 H35 N O4 -","- C112 H140 N4 O16 -","4","1","","Kornsakulkarn, Jittra; Auncharoen, Patchanee; Khonsanit, Artit; Boonyuen, Nattawut; Thongpanchang, Chawanee","Cytotoxic cytochalasans from cultures of the fungus Metarhizium brunneum TBRC-BCC 79240","RSC Advances","2023","13","16","10564","10576","10.1039/D3RA00042G","","x-ray","1.54178","CuKα","K-L~3~","0.0426","0.0408","","","0.1158","0.1179","","","","","","1.049","","","","has coordinates","282364","2023-04-05","01:15:01",""
"7246591","8.1801","0.0005","10.8418","0.0005","11.6849","0.0007","90","","90","","90","","1036.3","0.1","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H14 Cl Cu N2 -","- C8 H14 Cl Cu N2 -","- C32 H56 Cl4 Cu4 N8 -","4","1","","Liebertseder, Mareike; Donsbach, Carsten; Feldmann, Claus","Reactions of noble-metal oxides in ionic liquids near room temperature","RSC Advances","2023","13","17","11441","11449","10.1039/D3RA00892D","","x-ray","1.34143","GaKα","","0.061","0.0454","","","0.1024","0.1072","","","","","","0.961","","","","has coordinates","282607","2023-04-12","01:22:57",""
"7246605","6.607","0.002","10.064","0.002","21.6","0.004","90","","90","","90","","1436.2","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","1","","Devi, Arpita; Bharali, Mrinmoy Manash; Biswas, Subir; Bora, Tonmoy J.; Nath, Jayanta K.; Lee, Seonghwan; Park, Young-Bin; Saikia, Lakshi; Baruah, Manash J.; Bania, Kusum K.","Utilization of methanol and ethanol for 3,3′-bis(indolyl)methane synthesis through activation of peroxymonosulfate over a copper catalyst","Green Chemistry","2023","25","9","3443","3448","10.1039/D3GC00440F","","","0.71073","MoKα","","0.112","0.0627","","","0.1339","0.1528","","","","","","1.015","","","","has coordinates","284283","2023-06-05","04:36:32",""
"7246642","8.3713","0.0003","14.0145","0.0004","31.3792","0.0009","90","","90","","90","","3681.4","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H30 Br2 Cl2 N6 O4 -","- C40 H30 Br2 Cl2 N6 O4 -","- C160 H120 Br8 Cl8 N24 O16 -","4","1","","Mahmood, Khalid; Akhter, Zareen; Perveen, Fouzia; Aisha,; Bibi, Muneeba; Ismail, Hammad; Tabassum, Nida; Yousuf, Sammer; Ashraf, Ahmad Raza; Qayyum, Muhammad Abdul","Synthesis, DNA binding and biological evaluation of benzimidazole Schiff base ligands and their metal(ii) complexes","RSC Advances","2023","13","18","11982","11999","10.1039/D3RA00982C","","","1.54178","CuKα","","0.0567","0.043","","","0.084","0.0887","","","","","","1.019","","","","has coordinates","282687","2023-04-18","01:19:54",""
"7246643","10.519","0.002","14.285","0.002","5.349","0.002","90","","90","","90","","803.8","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 I O S -","- C7 H5 I O S -","- C28 H20 I4 O4 S4 -","4","1","","Kato, Shinzi; Kimura, Masahiro; Komatsu, Yukio; Miyagawa, Kenji; Ishida, Masaru; Ebihara, Masahiro; Niyomura, Osamu; Nakanishi, Waro; Hayashi, Satoko","Synthesis, structures and reactions of acylsulfenyl iodides with theoretical investigations","RSC Advances","2023","13","18","12035","12049","10.1039/D3RA00646H","","","0.7107","MoKα","","0.0283","0.0254","","","0.069","0.0702","","","","","","1.174","","","","has coordinates","282688","2023-04-18","01:20:39",""
"7246698","8.7768","0.0009","8.9125","0.0009","15.8094","0.0016","90","","90","","90","","1236.7","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Nichinde, Chandrakant B.; Patil, Baliram R.; Chaudhari, Suryakant S.; Mali, Bhupendra P.; Gonnade, Rajesh G.; Kinage, Anil K.","Organocatalysed one-pot three component synthesis of 3,3′-disubstituted oxindoles featuring an all-carbon quaternary center and spiro[2H-pyran-3,4′-indoline]","RSC Advances","2023","13","19","13206","13212","10.1039/D3RA00510K","","","1.54178","CuKα","","0.0295","0.0292","","","0.0758","0.0762","","","","","","1.069","","","","has coordinates","282918","2023-04-29","01:11:15",""
"7246764","6.5468","0.0007","16.2047","0.0016","27.749","0.003","90","","90","","90","","2943.9","0.5","298.15","","298.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 Cl O3 P -","- C31 H38 Cl O3 P -","- C124 H152 Cl4 O12 P4 -","4","1","","Lin, Zhu; Zhai, De-Hua; Sun, Yong-Ming; Zheng, Hong-Xing; Li, Qiang; Wang, Yan-Lan; Wen, Jing-Hong; Zhao, Chang-Qiu","Tandem addition of nucleophilic and electrophilic reagents to vinyl phosphinates: the stereoselective formation of organophosphorus compounds with congested tertiary carbons","RSC Advances","2023","13","21","14060","14064","10.1039/D3RA02409A","","","0.71073","MoKα","","0.1602","0.074","","","0.1692","0.2052","","","","","","0.874","","","","has coordinates","283672","2023-05-11","01:04:20",""
"7246773","7.7218","0.0002","8.491","0.0002","13.0382","0.0003","90","","90","","90","","854.86","0.04","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54184","CuKα","","0.0225","0.0219","","","0.0549","0.0552","","","","","","1.054","","","","has coordinates","284979","2023-07-05","11:03:34",""
"7246774","6.105","0.0002","7.4158","0.0002","21.1354","0.0006","90","","90","","90","","956.87","0.05","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 O7 -","- C7 H16 O7 -","- C28 H64 O28 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54184","CuKα","","0.0208","0.0206","","","0.0547","0.0548","","","","","","1.099","","","","has coordinates","284979","2023-07-05","11:03:37",""
"7246775","5.2396","0.0004","11.2244","0.0007","14.6702","0.001","90","","90","","90","","862.77","0.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54178","CuKα","","0.0258","0.0258","","","0.0676","0.0677","","","","","","1.126","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246776","5.2406","0.0002","11.2187","0.0004","14.6715","0.0006","90","","90","","90","","862.58","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54178","CuKα","","0.026","0.0258","","","0.068","0.0682","","","","","","1.11","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246779","9.262","0.0002","9.3748","0.0002","9.9796","0.0003","90","","90","","90","","866.52","0.04","127","2","127","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54178","CuKα","","0.0213","0.0213","","","0.054","0.054","","","","","","1.147","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246793","5.222","0.0012","12.756","0.004","15.674","0.006","90","","90","","90","","1044.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C H N O P Zn -","- C1.2 H5.6 N0.8 O3.2 P0.8 Zn0.4 -","- C12 H56 N8 O32 P8 Zn4 -","10","2.5","","Zhang, Kai-ming; Ji, Min-fang; Zhou, Xue-Yi; Xuan, Fang; Duan, Bo-yuan; Yuan, Yuan; Liu, Guang-xiang; Duan, Hai-bao; Zhao, Hai-rong","The proton conduction behavior of two 1D open-framework metal phosphates with similar crystal structures and different hydrogen bond networks","RSC Advances","2023","13","19","12703","12711","10.1039/D3RA01130E","","","0.71073","MoKα","","0.0268","0.0221","","0.0572","0.0553","","","","1.102","1.085","1.085","","","","","has coordinates","283802","2023-05-16","01:18:59",""
"7246850","5.7701","0.0004","11.1748","0.0008","42.916","0.003","90","","90","","90","","2767.2","0.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(ferrocenyl amine)-ITFE","(N,N-Dimethyl ferrocenyl amine)2.Iodo trifluoroethene","","- C28 H34 F3 Fe2 I N2 -","- C28 H34 F3 Fe2 I N2 -","- C112 H136 F12 Fe8 I4 N8 -","4","1","","Kreienborg, Nora M.; Otte, Felix; Strohmann, Carsten; Merten, Christian","Simultaneous observation of halogen-lone pair and halogen-π interactions of ferrocene derivatives under cryogenic conditions.","Physical chemistry chemical physics : PCCP","2023","25","22","15110","15114","10.1039/d3cp01661g","","x-ray","0.71073","MoKα","","0.0366","0.0327","","","0.0677","0.0687","","","","","","1.146","","","","has coordinates","284976","2023-07-05","11:02:16",""
"7246870","6.9994","0.001","8.8877","0.001","20.694","0.005","90","","90","","90","","1287.3","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl N3 O Se -","- C13 H12 Cl N3 O Se -","- C52 H48 Cl4 N12 O4 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0383","0.0334","","","0.0836","0.0858","","","","","","1.015","","","","has coordinates","284917","2023-07-05","10:07:47",""
"7246876","7.6105","0.001","12.1722","0.0014","19.257","0.002","90","","90","","90","","1783.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N -","- C24 H21 N -","- C96 H84 N4 -","4","1","","Zárate-Roldán, Stephany; Gimeno, M. Concepción; Herrera, Raquel P.","Alkylation of amines with allylic alcohols and deep eutectic solvents as metal-free and green promoters","Green Chemistry","2023","25","14","5601","5612","10.1039/D3GC01017A","","","0.71073","MoKα","","0.0321","0.0308","","","0.0812","0.0822","","","","","","1.043","","","","has coordinates","286148","2023-09-05","19:58:16",""
"7246882","6.2259","0.0012","7.1884","0.0014","23.607","0.005","90","","90","","90","","1056.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0376","0.0328","","","0.0752","0.0774","","","","","","1.062","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246940","7.6044","0.0005","9.6671","0.0006","31.908","0.002","90","","90","","90","","2345.6","0.3","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O8 -","- C26 H25 N O8 -","- C104 H100 N4 O32 -","4","1","","Fu, Yun-Dong; Gao, Xiang; Jia, Shi-Kun; Xiao, Xiao; Wang, Min-Can; Huang, Lihua; Mei, Guang-Jian","Catalyst-free racemic and H2O/CPA-catalyzed asymmetric regio-reversed domino processes of triketone enones with azlactones","Green Chemistry","2023","25","14","5692","5697","10.1039/D3GC01445B","","x-ray","1.34139","GaKα","","0.0623","0.0521","","","0.1154","0.1214","","","","","","1.091","","","","has coordinates,has disorder","286147","2023-09-05","19:58:08",""
"7246958","5.4064","0.0001","9.6437","0.0001","36.2282","0.0005","90","","90","","90","","1888.86","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.0311","0.0293","","","0.0739","0.0751","","","","","","1.029","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246962","5.5255","0.0001","5.9089","0.0001","16.0342","0.0004","90","","90","","90","","523.511","0.018","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1A","","- C5 H4 O S -","- C5 H4 O S -","- C20 H16 O4 S4 -","4","1","","Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative evaluation of the electronic features involving ""nucleophilic-electrophilic"" character in the chalcogen sulfur.","Physical chemistry chemical physics : PCCP","2023","25","29","19427","19434","10.1039/d3cp02526h","","","0.71073","MoKα","","0.0315","0.0311","","","0.0881","0.0886","","","","","","1.112","","","","has coordinates","285529","2023-08-05","09:35:49",""
"7247039","7.8022","0.0003","13.8143","0.0006","20.8527","0.0009","90","","90","","90","","2247.54","0.16","273","2","273","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C68 H80 Br8 Cl4 Mn4 N8 O36 -","- C68 H80 Br8 Cl4 Mn4 N8 O36 -","- C68 H80 Br8 Cl4 Mn4 N8 O36 -","1","0.25","","Karmakar, Mridul; Sk, Wahedur; Gomila, Rosa M.; Drew, Michael. G. B.; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the hydrogen bonding, halogen bonding and chalcogen bonding interactions in manganese(iii) complexes with N2O2donor salicylidine Schiff base ligands","RSC Advances","2023","13","31","21211","21224","10.1039/D3RA04044E","","","0.71073","MoKα","","0.0214","0.0199","","","0.0471","0.0477","","","","","","1.048","","","","has coordinates","285210","2023-07-14","01:15:10",""
"7247043","9.5389","0.0006","9.7198","0.0005","13.2575","0.0006","90","","90","","90","","1229.19","0.11","123","","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","TB-017","","- C12 H12 Cl2 N P -","- C12 H12 Cl2 N P -","- C48 H48 Cl8 N4 P4 -","4","1","","Biskup, David; Bergmann, Tom; Schnakenburg, Gregor; Gomila, Rosa M.; Frontera, Antonio; Streubel, Rainer","Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination","RSC Advances","2023","13","31","21313","21317","10.1039/D3RA04352E","","","0.71073","MoKα","","0.0255","0.0209","","","0.0463","0.047","","","","","","0.958","","","","has coordinates","285216","2023-07-15","01:01:52",""
"7247096","5.2481","0.0012","14.898","0.003","15.184","0.004","90","","90","","90","","1187.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 N8 O6 -","- C7 H6 N8 O6 -","- C28 H24 N32 O24 -","4","1","","Su, Dongshuai; Cai, Jinxiong; Yin, Ping; Pang, Siping","Regioisomeric N–C functionalization of an asymmetric N-rich framework: a promising pathway to heat-resistant energetic materials","CrystEngComm","2023","25","34","4902","4906","10.1039/D3CE00647F","","","0.71073","MoKα","","0.0466","0.0378","","","0.1142","0.1298","","","","","","0.935","","","","has coordinates","286127","2023-09-05","19:44:42",""
"7247105","4.7835","0.0005","43.651","0.005","11.3771","0.0011","90","","90","","90","","2375.6","0.4","293","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O9 -","- C28 H24 N2 O9 -","- C112 H96 N8 O36 -","4","1","","Pan, Jia-Qi; Chen, Yun-Rui; Jia, Meng-Ze; Yao, Xin-Rong; Miao, Xiao-Li; Zhang, Jie","The cooperation of charge transfer and electron transfer for manipulating photothermal behaviour of donor–acceptor co-crystals","CrystEngComm","2023","25","35","4968","4975","10.1039/D3CE00581J","","","0.71073","MoKα","","0.1739","0.1661","","","0.451","0.469","","","","","","1.135","","","","has coordinates,has disorder","286741","2023-10-06","00:06:20",""
"7247111","6.1579","0.0003","7.5864","0.0004","31.1475","0.0014","90","","90","","90","","1455.1","0.12","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4Py-TP-BT","5-(4-pyridyl)-2-(thiopyran-4-ylidene)-1,3-benzodithiole","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Nishimoto, Hiroshi; Kawase, Takeshi; Nishida, Jun-ichi","Synthesis, crystal structures and semiconductor properties of 2-(thiopyran-4-ylidene)-1,3-benzodithioles with an aryl substituent","CrystEngComm","2023","25","34","4856","4863","10.1039/D3CE00416C","","x-ray","0.71073","MoKα","","0.1111","0.0553","","","0.1038","0.1217","","","","","","0.997","","","","has coordinates","286123","2023-09-05","19:44:08",""
"7247122","6.452","0.001","11.032","0.002","28.638","0.005","90","","90","","90","","2038.4","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H22 K N5 O14 P2 -","- C10 H22 K N5 O14 P2 -","- C40 H88 K4 N20 O56 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.036","0.0351","","","0.094","0.0945","","","","","","1.073","","","","has coordinates","286101","2023-09-05","19:38:16",""
"7247124","26.388","0.009","10.285","0.004","6.2377","0.0015","90","","90","","90","","1692.9","1","320","2","320","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 K N5 O10 P2 -","- C10 H14 K N5 O10 P2 -","- C40 H56 K4 N20 O40 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.0792","0.058","","","0.1607","0.18","","","","","","1.101","","","","has coordinates","286101","2023-09-05","19:38:16",""
"7247125","25.939","0.004","11.003","0.002","13.505","0.002","90","","90","","90","","3854.4","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41.5 K N10 O26.25 P4 -","- C20 H41.512 K N10 O26.256 P4 -","- C80 H166.048 K4 N40 O105.024 P16 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","0.71073","MoKα","","0.0395","0.0348","","","0.0876","0.0896","","","","","","1.045","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247143","3.8278","0.0003","17.1899","0.0006","26.2562","0.0009","90","","90","","90","","1727.64","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 B N3 O3 -","- C20 H17 B N3 O3 -","- C80 H68 B4 N12 O12 -","4","1","","Easmin, Samina; Pedireddi, Venkateswara Rao","Supramolecular assemblies in the molecular complexes of 4-cyanophenylboronic acid with different N-donor ligands","RSC Advances","2023","13","33","23267","23284","10.1039/D3RA03936F","","","0.71073","MoKα","","0.0923","0.0539","","","0.125","0.1457","","","","","","1.009","","","","has coordinates","285435","2023-08-03","01:22:26",""
"7247228","7.8341","0.0005","10.1533","0.0006","14.2642","0.0009","90","","90","","90","","1134.6","0.12","293","10","293","10","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Br3 F N Pb -","- C5 H11 Br3 F N Pb -","- C20 H44 Br12 F4 N4 Pb4 -","4","1","","Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia","Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites","CrystEngComm","2023","25","35","5029","5034","10.1039/D3CE00644A","","x-ray","0.71073","MoKα","","0.079","0.0658","","","0.1615","0.1687","","","","","","1.011","","","","has coordinates","286744","2023-10-06","00:07:46",""
"7247252","6.061","0.0005","7.6912","0.0005","21.2829","0.0015","90","","90","","90","","992.13","0.13","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","","Harrington, Kristen; Hogan, David T.; Sutherland, Todd C.; Stamplecoskie, Kevin","Photophysical investigation into room-temperature emission from xanthene derivatives.","Physical chemistry chemical physics : PCCP","2023","25","36","24829","24837","10.1039/d3cp02802j","","","1.54178","CuKα","","0.033","0.0324","","","0.0856","0.0859","","","","","","1.085","","","","has coordinates","286811","2023-10-06","00:51:27",""
"7247381","7.3138","0.0004","12.607","0.0006","15.9123","0.001","90","","90","","90","","1467.19","0.14","299.2","0.2","299.2","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Krishna, Anugam V.; Sanwal, Shyam D.; Rath, Sibani; Lakshmi, P. R.; Ramachary, Dhevalapally B.","Conformation-controlled catalytic asymmetric synthesis of Swaminathan ketones","Green Chemistry","2024","26","2","771","784","10.1039/D3GC02975A","","x-ray","0.71073","MoKα","","0.0518","0.0381","","","0.0938","0.1021","","","","","","1.044","","","","has coordinates","289571","2024-02-04","12:17:28",""
"7247431","7.731","0.0006","8.1036","0.0005","32.103","0.002","90","","90","","90","","2011.2","0.2","294","2","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C116 H68 N4 S4 -","4","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.0911","0.0421","","","0.084","0.1063","","","","","","1.085","","","","has coordinates","287331","2023-11-06","07:21:25",""
"7247432","9.4617","0.0005","11.8672","0.0007","13.219","0.0008","90","","90","","90","","1484.28","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","NM-1287","","- C17 H18 S -","- C17 H18 S -","- C68 H72 S4 -","4","1","","Mukherjee, Nilanjana; Chatterjee, Tanmay","Recyclable iodine-catalyzed oxidative C–H chalcogenation of 1,1-diarylethenes in water: green synthesis of trisubstituted vinyl sulfides and selenides","Green Chemistry","2023","25","21","8798","8807","10.1039/D3GC02999A","","x-ray","1.54184","CuKα","","0.0484","0.042","","","0.1146","0.1227","","","","","","1.084","","","","has coordinates","287360","2023-11-06","07:45:05",""
"7247442","7.0782","0.0007","12.8899","0.0012","17.2503","0.0015","90","","90","","90","","1573.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0359","0.0339","","","0.0878","0.0896","","","","","","1.079","","","","has coordinates","287350","2023-11-06","07:29:57",""
"7247512","5.6167","0.0001","15.9231","0.0004","19.6051","0.0004","90","","90","","90","","1753.39","0.06","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C80 H88 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Kuan-Ting","Synthesis of sulfonyl 2-aryl-5-methylenyltetrahydropyrans","RSC Advances","2023","13","43","29894","29903","10.1039/D3RA06370D","","x-ray","0.71073","MoKα","","0.0354","0.032","","","0.0711","0.0727","","","","","","1.024","","","","has coordinates","286974","2023-10-14","01:22:11",""
"7247629","7.7383","0.0004","11.5787","0.0007","14.7269","0.0012","90","","90","","90","","1319.52","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Br3 N Pb S -","- C8 H8 Br3 N Pb S -","- C32 H32 Br12 N4 Pb4 S4 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.0852","0.0491","","","0.1027","0.1111","","","","","","0.916","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247644","4.6969","0.0003","15.1122","0.0011","17.3305","0.0012","90","","90","","90","","1230.13","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cytidine and silver nitrate","","- C9 H13 Ag N4 O8 -","- C9 H13 Ag N4 O8 -","- C36 H52 Ag4 N16 O32 -","4","1","","Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang","A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine","CrystEngComm","2023","25","47","6549","6555","10.1039/D3CE00916E","","","0.72929","synchrotron","","0.0372","0.0358","","","0.1124","0.1146","","","","","","1.162","","","","has coordinates","288794","2024-01-06","07:59:31",""
"7247676","6.4702","0.0003","9.9613","0.0004","25.6312","0.0011","90","","90","","90","","1651.97","0.12","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cxy1822","3ao","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Zhang, Xiao; Zhou, Qian; Zhou, Yue; Wang, Zihao; Wang, Jun; Wang, Mingfu","Asymmetric synthesis of chiral (thio)chromanes and exploration on their structure-activity relationship in macrophages.","RSC advances","2023","13","43","30391","30400","10.1039/d3ra06428j","","x-ray","1.54178","CuKα","","0.0261","0.0252","","","0.0639","0.0645","","","","","","1.034","","","","has coordinates","287286","2023-11-06","02:33:04",""
"7247719","7.6028","0.0001","9.9444","0.0001","35.6016","0.0004","90","","90","","90","","2691.67","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tioconazole-L-tartrate 1:1 salt hydrate","","","- C20 H25 Cl3 N2 O10.42 S -","- C20 H25 Cl3 N2 O10.42 S -","- C80 H100 Cl12 N8 O41.68 S4 -","4","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0641","0.0618","","","0.1301","0.1312","","","","","","1.146","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247730","12.994","0.003","18.489","0.004","20.221","0.004","90","","90","","90","","4858","1.8","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H48 Co2 N4 O16 -","- C48 H48 Co2 N4 O16 -","- C192 H192 Co8 N16 O64 -","4","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.1222","0.0675","","","0.1084","0.1274","","","","","","1.008","","","","has coordinates","288802","2024-01-06","08:02:39",""
"7247742","6.8294","0.0001","14.2435","0.0002","20.7154","0.0002","90","","90","","90","","2015.08","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br O S -","- C24 H23 Br O S -","- C96 H92 Br4 O4 S4 -","4","1","","Fan, Xin-Yang; Li, Jia-Cheng; Zhou, Ji-Jia; Zhou, Bo; Ye, Long-Wu","Chiral Brønsted acid-catalyzed asymmetric dearomative spirocyclization of alkynyl thioethers","Green Chemistry","2023","25","24","10638","10643","10.1039/D3GC03222A","","x-ray","1.54184","CuKα","","0.0275","0.0258","","","0.0648","0.0655","","","","","","1.038","","","","has coordinates","288815","2024-01-06","08:21:21",""
"7247760","4.7906","0.0002","13.1169","0.0006","25.4767","0.0012","90","","90","","90","","1600.9","0.12","160","1","160","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 Cl F3 N3 O S -","- C16 H11 Cl F3 N3 O S -","- C64 H44 Cl4 F12 N12 O4 S4 -","4","1","","Al-Wahaibi, Lamya H.; Alagappan, Kowsalya; Gomila, Rosa M.; Blacque, Olivier; Frontera, Antonio; Percino, M. Judith; El-Emam, Ali A.; Thamotharan, Subbiah","A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-N-Mannich derivatives: in vitro bioactivity and molecular docking","RSC Advances","2023","13","48","34064","34077","10.1039/D3RA07169C","","x-ray","1.54184","CuKα","","0.0473","0.0399","","","0.0994","0.1042","","","","","","1.035","","","","has coordinates","287718","2023-11-22","02:12:55",""
"7247792","7.4304","0.0001","16.7705","0.0003","22.5342","0.0003","90","","90","","90","","2808.02","0.07","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 O4 P2 S2 -","- C30 H28 O4 P2 S2 -","- C120 H112 O16 P8 S8 -","4","1","","Ramazanova, Kyzgaldak; Chakrabortty, Soumyadeep; Müller, Bernd H.; Lönnecke, Peter; de Vries, Johannes G.; Hey-Hawkins, Evamarie","Synthesis of P-stereogenic 1-phosphanorbornane-derived phosphine–phosphite ligands and application in asymmetric catalysis","RSC Advances","2023","13","49","34439","34444","10.1039/D3RA07630J","","","0.71073","MoKα","","0.0458","0.036","","","0.0765","0.0813","","","","","","1.031","","","","has coordinates","287798","2023-11-25","02:09:26",""
"7247830","9.0933","0.0012","16.561","0.003","19.628","0.004","90","","90","","90","","2955.9","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 N2 O4 -","- C33 H36 N2 O4 -","- C132 H144 N8 O16 -","4","1","","Hernández-Vázquez, Eduardo; Martínez-Caballero, Siseth; Aldana-Torres, Diana; Estrada-Soto, Samuel; Nieto-Camacho, Antonio","Discovery of phenolic 2-arylidene-isoquinolinones with antioxidant and α-glucosidase inhibition dual action.","RSC Medicinal Chemistry","2023","","","","","10.1039/D3MD00585B","","","1.54178","CuKα","","0.0596","0.0527","","","0.1418","0.1505","","","","","","1.073","","","","has coordinates,has disorder","288027","2023-12-05","00:57:32",""
"7247858","4.61033","0.00012","11.7809","0.0004","29.1594","0.0012","90","","90","","90","","1583.76","0.09","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O10 -","- C14 H19 N O10 -","- C56 H76 N4 O40 -","4","1","","Chen, Shipeng; Wang, Jinping; Feng, Li; Song, Zebin; Wang, Xiaoji; Ke, Yubin; Hua, Lin; Fan, Yange; Li, Zheng; Hou, Yimin; Xue, Baoyu; Liu, Luke","Preparation, characterization and application of d-gluconic acetal-based self-healing supramolecular ionogels for desulphurization of fuels","Green Chemistry","2024","26","2","979","991","10.1039/D3GC04359B","","x-ray","1.54184","CuKα","","0.0515","0.0435","","","0.1022","0.1056","","","","","","1.105","","","","has coordinates","289572","2024-02-04","12:17:34",""
"7247861","9.9495","0.0002","11.559","0.0002","26.1562","0.0005","90","","90","","90","","3008.13","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 O3 P -","- C16 H21 O3 P -","- C128 H168 O24 P8 -","8","2","","Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška","Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach.","Physical chemistry chemical physics : PCCP","2024","26","3","2016","2024","10.1039/d3cp04099b","","","0.71073","MoKα","","0.0261","0.0251","","","0.0674","0.0686","","","","","","1.066","","","","has coordinates","289644","2024-02-04","12:31:55",""
"7247864","9.9615","0.0006","11.5646","0.0007","26.2104","0.0014","90","","90","","90","","3019.5","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 O3 P -","- C16 H21 O3 P -","- C128 H168 O24 P8 -","8","2","","Tichotová, Markéta Christou; Tučková, Lucie; Kocek, Hugo; Růžička, Aleš; Straka, Michal; Procházková, Eliška","Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach.","Physical chemistry chemical physics : PCCP","2024","26","3","2016","2024","10.1039/d3cp04099b","","","0.71073","MoKα","","0.0397","0.037","","","0.0935","0.0957","","","","","","1.071","","","","has coordinates","289644","2024-02-04","12:31:56",""
"7247866","5.1261","0.0009","8.728","0.0014","29.053","0.005","90","","90","","90","","1299.8","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 I N O4 -","- C9 H16 I N O4 -","- C36 H64 I4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.0435","0.0411","","","0.1063","0.1086","","","","","","1.044","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247867","5.4467","0.0008","11.4173","0.0018","25.107","0.004","90","","90","","90","","1561.3","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 I N O4 -","- C12 H22 I N O4 -","- C48 H88 I4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0206","0.0194","","","0.0393","0.0396","","","","","","1.132","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247871","5.1069","0.0015","11.791","0.003","26.327","0.008","90","","90","","90","","1585.3","0.8","105","2","105","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O4 -","- C15 H20 Cl N O4 -","- C60 H80 Cl4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.1294","0.0802","","","0.1981","0.2465","","","","","","1.061","","","","has coordinates,has disorder","289440","2024-02-04","11:37:19",""
"7247902","7.927","0.0001","11.9867","0.0001","36.2753","0.0004","90","","90","","90","","3446.83","0.06","99.8","0.5","99.8","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H36 N4 -","- C46 H36 N4 -","- C184 H144 N16 -","4","1","","Charpe, Vaibhav Pramod; Gupta, Mahima; Hwang, Kuo Chu","Visible light-mediated copper catalyzed regioselective diamination of terminal alkynes at room temperature: a facile synthesis of substituted imidazo[1,2-α]pyridines","Green Chemistry","2024","26","3","1329","1337","10.1039/D3GC04062C","","x-ray","1.54184","CuKα","","0.037","0.033","","","0.0805","0.083","","","","","","1.045","","","","has coordinates","290220","2024-03-04","20:32:17",""
"7247924","9.2915","0.0003","17.0748","0.0005","19.5885","0.0005","90","","90","","90","","3107.73","0.16","100.15","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N3 O6 Re -","- C6 H10 N3 O6 Re -","- C72 H120 N36 O72 Re12 -","12","3","","Novikov, Anton P.; Safonov, Alexey V.; German, Konstantin E.; Grigoriev, Mikhail S.","What kind of interactions we may get moving from zwitter to “dritter” ions: C–O⋯Re(O4) and Re–O⋯Re(O4) anion⋯anion interactions make structural difference between l-histidinium perrhenate and pertechnetate","CrystEngComm","2024","26","1","61","69","10.1039/D3CE01164J","","","0.71073","MoKα","","0.0421","0.0318","","","0.0505","0.0535","","","","","","0.969","","","","has coordinates","288580","2023-12-31","23:58:23",""
"7247928","11.0562","0.0002","12.6155","0.0002","15.2102","0.0003","90","","90","","90","","2121.51","0.07","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 O5 Zn -","- C10 H8 O5 Zn -","- C80 H64 O40 Zn8 -","8","2","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","0.71073","MoKα","","0.0392","0.0307","","","0.0733","0.0761","","","","","","1.056","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247931","6.343","","9.959","","23.828","","90","","90","","90","","1505.21","","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl O5 -","- C15 H21 Cl O5 -","- C60 H84 Cl4 O20 -","4","1","","Zhao, Jianyou; Zhang, Jiatai; Fang, Pengkai; Wu, Jintao; Wang, Fan; Liu, Zhong-Quan","Electrochemical chlorination of least hindered tertiary and benzylic C(sp3)–H bonds","Green Chemistry","2024","26","1","507","512","10.1039/D3GC03849A","","","1.34138","GaKα","","0.0458","0.0386","","","0.097","0.1011","","","","","","1.06","","","","has coordinates","289566","2024-02-04","12:16:53",""
"7247939","7.2177","0.0003","9.2009","0.0004","27.0007","0.0017","90","","90","","90","","1793.1","0.16","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Mebendazolium mesylate anhydride salt","","- C17 H17 N3 O6 S -","- C17 H17 N3 O6 S -","- C68 H68 N12 O24 S4 -","4","1","","Gutiérrez, Eduardo L.; Godoy, Agustín A.; Brusau, Elena V.; Vega, Daniel; Narda, Griselda E.; Suárez, Sebastián; Di Salvo, Florencia","Mebendazolium mesylate anhydride salt: rational design based on supramolecular assembly, synthesis, and solid-state characterization","RSC Advances","2024","14","1","181","192","10.1039/D3RA07422F","","x-ray","1.54184","CuKα","","0.0773","0.0628","","","0.1717","0.1814","","","","","","1.123","","","","has coordinates","288628","2024-01-03","02:36:08",""
"7247940","15.6599","0.0013","16.5029","0.0014","17.2608","0.0014","90","","90","","90","","4460.8","0.6","240","2","240","2","","","","","","","synthesis","5","P 21 21 21","P 2ac 2ab","19","Phe(Me)ASC","cyclo(Phe(Me)-Oxz-D-Val-Thz-Ile-Oxz-D-Val-Thz).MeCN","","- C42 H55 N9 O6 S2 -","- C42 H55 N9 O6 S2 -","- C168 H220 N36 O24 S8 -","4","1","","Asano, Akiko; Kawanami, Yukiko; Fujita, Mao; Yano, Yuta; Ide, Rio; Minoura, Katsuhiko; Kato, Takuma; Doi, Mitsunobu","Electronic substituent effect on the conformation of a phenylalanine-incorporated cyclic peptide","RSC Advances","2024","14","2","1062","1071","10.1039/D3RA07836A","","","0.71073","MoKα","","0.0717","0.0681","","","0.1719","0.1749","","","","","","1.096","","","","has coordinates","288629","2024-01-03","02:37:30",""
"7247953","5.0339","0.0002","16.1821","0.0008","16.2812","0.0007","90","","90","","90","","1326.25","0.1","200","2","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","","1.54184","CuKα","","0.044","0.0408","","","0.1029","0.1062","","","","","","1.066","","","","has coordinates","290152","2024-03-04","20:09:31",""
"7247956","10.066","0.0005","16.1694","0.0007","16.1972","0.0006","90","","90","","90","","2636.3","0.2","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N3 O5 -","- C10 H21 N3 O5 -","- C80 H168 N24 O40 -","8","2","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0914","0.0587","","","0.1195","0.1375","","","","","","1.03","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247957","5.0124","0.0003","15.2769","0.001","16.3628","0.001","90","","90","","90","","1252.96","0.13","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H19 N3 O6 -","- C8 H19 N3 O6 -","- C32 H76 N12 O24 -","4","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0928","0.0559","","","0.11","0.1313","","","","","","1.035","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247992","15.2744","0.0006","15.3918","0.0005","26.2915","0.0009","90","","90","","90","","6181.1","0.4","188","","188","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H64 Cl4 N7 O15 Tb Zn2 -","- C60 H64 Cl4 N7 O15 Tb Zn2 -","- C240 H256 Cl16 N28 O60 Tb4 Zn8 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0292","0.0273","","","0.0624","0.0632","","","","","","1.028","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247994","15.7164","0.0008","15.9773","0.0009","24.5892","0.0012","90","","90","","90","","6174.5","0.6","188","","188","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H72 Mn2 N7 O18 Tb -","- C61 H72 Mn2 N7 O18 Tb -","- C244 H288 Mn8 N28 O72 Tb4 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0204","0.0194","","","0.0512","0.0523","","","","","","0.424","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7248016","6.3761","0.0008","9.9644","0.0012","22.622","0.003","90","","90","","90","","1437.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O5 -","- C12 H21 N O5 -","- C48 H84 N4 O20 -","4","1","","Ge, Shuwang; Fu, Mingwei; Gu, Dihai; Wei, Lai; Qian, Kun; Rui, Qi; Ma, Yan; Li, Liang; Wang, Huaiqiu; Li, Lingchao; Ge, Min; Wang, Yihong","Design and process study of chiral separation of (2S,4S)-1-(tert-butoxy carbonyl)-4-(methoxymethyl) pyrrolidine-2-carboxylic acid for green manufacturing","Green Chemistry","2024","26","5","2673","2683","10.1039/D3GC04435A","","","0.71073","MoKα","","0.1084","0.0503","","","0.1033","0.1204","","","","","","1.079","","","","has coordinates,has disorder","290997","2024-04-04","23:54:14",""
"7248035","8.3969","0.0001","10.2061","0.0001","31.5288","0.0004","90","","90","","90","","2702.01","0.05","212.99","0.1","213.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N2 O7 -","- C31 H38 N2 O7 -","- C124 H152 N8 O28 -","4","1","","Zhu, Yujing; Shi, Xiaoju; Li, Duanxiu; Li, Shuang; Wang, Lin; Deng, Zongwu; Huang, Shaohua; Zhang, Hailu","Sustained release of matrine via salt formation with hesperetin","CrystEngComm","2024","26","8","1090","1098","10.1039/D3CE01129A","","","1.54184","CuKα","","0.0448","0.0417","","","0.1139","0.1201","","","","","","1.099","","","","has coordinates,has disorder","290141","2024-03-04","20:06:37",""
"7248045","9.5688","0.0002","12.9473","0.0003","15.9128","0.0003","90","","90","","90","","1971.44","0.07","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl4 Co N2 O2 -","- C14 H28 Cl4 Co N2 O2 -","- C56 H112 Cl16 Co4 N8 O8 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","1.54178","CuKα","","0.0419","0.0349","","","0.0838","0.087","","","","","","1.059","","","","has coordinates,has disorder","289184","2024-01-22","23:41:09",""
"7248048","9.5314","0.0012","15.705","0.002","38.49","0.005","90","","90","","90","","5761.6","1.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H84 Cl12 Co3 N6 O6 -","- C42 H84 Cl12 Co3 N6 O6 -","- C168 H336 Cl48 Co12 N24 O24 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","1.54178","CuKα","","0.1199","0.1011","","","0.2876","0.3132","","","","","","1.258","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248079","6.163","0.002","10.528","0.004","32.488","0.012","90","","90","","90","","2108","1.3","273","","273","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C96 H104 N8 O16 -","8","2","","Wu, Jilai; Zhou, Likai; Xie, Song; Wei, Chao; Li, Xiaoliu; Chen, Hua","Synthesis of 3-arylamino-2-polyhydroxyalkyl-substituted indoles from unprotected saccharides and anilines","Green Chemistry","2024","26","4","1883","1888","10.1039/D3GC04440H","","","0.71073","MoKα","","0.1167","0.06","","","0.1327","0.1568","","","","","","1.091","","","","has coordinates","290219","2024-03-04","20:32:02",""
"7248132","4.8347","0.0001","20.8619","0.0005","22.8684","0.0006","90","","90","","90","","2306.53","0.09","102","2","102","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","","Zakharychev, Dmitry V.; Fayzullin, Robert R.","Solubility- and melting-based approaches to evaluate the inner-crystal enantiophobia and enantiophilia undergoing a structural change within a homologous series, exemplified by chiral glycerol ethers","CrystEngComm","2024","26","11","1571","1582","10.1039/D3CE01196H","","x-ray","0.71073","MoKα","","0.0549","0.0463","","","0.1149","0.1206","","","","","","1.068","","","","has coordinates","290902","2024-04-04","23:10:14",""
"7248146","12.6274","0.0009","17.4622","0.0013","21.5945","0.0016","90","","90","","90","","4761.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co N14 O15 Tb -","- C42 H33 Co N14 O15 Tb -","- C168 H132 Co4 N56 O60 Tb4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0337","0.0296","","","0.0727","0.0744","","","","","","1.075","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248151","12.834","0.0006","17.5509","0.0009","21.6296","0.0012","90","","90","","90","","4872","0.4","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 Ni O15 Y -","- C42 H33 N14 Ni O15 Y -","- C168 H132 N56 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1107","0.0592","","","0.135","0.1592","","","","","","1.023","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248152","12.689","0.0007","17.3285","0.0008","21.5711","0.0009","90","","90","","90","","4743.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 O15 Y Zn -","- C42 H33 N14 O15 Y Zn -","- C168 H132 N56 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0683","0.042","","","0.0779","0.089","","","","","","1.04","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248153","12.6343","0.0003","17.4984","0.0004","21.6439","0.0005","90","","90","","90","","4785.03","0.19","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co Dy N14 O15 -","- C42 H33 Co Dy N14 O15 -","- C168 H132 Co4 Dy4 N56 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0344","0.0287","","","0.0664","0.0688","","","","","","0.993","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248154","12.66","0.002","17.879","0.004","22.64","0.005","90","","90","","90","","5124.5","1.8","400","2","400","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 La N13 Ni O15 -","- C48 H32 La N13 Ni O15 -","- C192 H128 La4 N52 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1588","0.0472","","","0.1103","0.1608","","","","","","0.735","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248155","12.602","0.0005","17.3989","0.0007","21.5392","0.001","90","","90","","90","","4722.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co N14 O15 Y -","- C42 H33 Co N14 O15 Y -","- C168 H132 Co4 N56 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0568","0.0463","","","0.0948","0.0984","","","","","","1.086","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248156","12.7677","0.0007","17.414","0.0008","21.6944","0.001","90","","90","","90","","4823.5","0.4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 O15 Y Zn -","- C42 H33 N14 O15 Y Zn -","- C168 H132 N56 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0671","0.0397","","","0.0766","0.0878","","","","","","1.053","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248157","12.6828","0.0004","17.3643","0.0006","21.4063","0.0008","90","","90","","90","","4714.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 Ni O15 Y -","- C42 H33 N14 Ni O15 Y -","- C168 H132 N56 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0566","0.0387","","","0.0781","0.0842","","","","","","1.009","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248158","12.453","0.004","17.82","0.006","22.217","0.008","90","","90","","90","","4930","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co N13 Nd O15 -","- C48 H32 Co N13 Nd O15 -","- C192 H128 Co4 N52 Nd4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1461","0.1429","","","0.3434","0.3452","","","","","","1.438","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248159","12.4662","0.0018","17.717","0.003","22.612","0.003","90","","90","","90","","4994.2","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 La N13 O15 Zn -","- C48 H32 La N13 O15 Zn -","- C192 H128 La4 N52 O60 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.214","0.0938","","","0.2497","0.2816","","","","","","1.184","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248160","12.4224","0.0004","20.0351","0.0009","22.1111","0.001","90","","90","","90","","5503.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0604","0.0442","","","0.0917","0.0995","","","","","","0.856","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248161","12.5205","0.0004","20.2855","0.0005","22.2201","0.0006","90","","90","","90","","5643.6","0.3","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0346","0.0281","","","0.0503","0.0527","","","","","","1","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248162","12.5426","0.0018","20.322","0.004","22.424","0.004","90","","90","","90","","5715.7","1.7","340","2","340","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1233","0.0508","","","0.0912","0.1106","","","","","","0.858","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248163","12.4132","0.0007","20.1554","0.0012","22.077","0.0013","90","","90","","90","","5523.5","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 Nd O15 -","- C54 H41 Co N16 Nd O15 -","- C216 H164 Co4 N64 Nd4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0429","0.0329","","","0.0588","0.0636","","","","","","1.082","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248164","12.4889","0.0008","20.1897","0.0013","21.9131","0.0017","90","","90","","90","","5525.3","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 O15 Zn -","- C54 H41 La N16 O15 Zn -","- C216 H164 La4 N64 O60 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0488","0.0337","","","0.0568","0.0617","","","","","","0.997","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248165","12.6555","0.0006","17.9417","0.0008","22.6477","0.001","90","","90","","90","","5142.4","0.4","400","2","400","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co La N13 O15 -","- C48 H32 Co La N13 O15 -","- C192 H128 Co4 La4 N52 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1175","0.0499","","","0.0648","0.0791","","","","","","1.044","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248166","12.555","0.002","20.342","0.004","22.458","0.005","90","","90","","90","","5735.6","1.9","360","2","360","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1527","0.0572","","","0.106","0.1285","","","","","","0.909","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248167","12.5969","0.0005","17.4194","0.0007","21.5508","0.0009","90","","90","","90","","4728.9","0.3","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co Dy N14 O15 -","- C42 H33 Co Dy N14 O15 -","- C168 H132 Co4 Dy4 N56 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0487","0.0365","","","0.0791","0.0883","","","","","","1.039","","","","has coordinates,has disorder","290903","2024-04-04","23:11:18",""
"7248168","12.5118","0.0016","20.32","0.003","22.341","0.003","90","","90","","90","","5680","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C216 H164 Co4 N64 Nd4 O60 -","- C216 H164 Co4 N64 Nd4 O60 -","- C216 H164 Co4 N64 Nd4 O60 -","1","0.25","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0622","0.0543","","","0.1105","0.1141","","","","","","0.95","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248169","12.5614","0.0018","20.372","0.003","22.451","0.003","90","","90","","90","","5745.2","1.4","350","2","350","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1297","0.0972","","","0.2523","0.272","","","","","","1.201","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248170","12.6065","0.0014","17.994","0.0017","22.46","0.002","90","","90","","90","","5094.9","0.9","380","2","380","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co N13 O15 Sm -","- C48 H32 Co N13 O15 Sm -","- C192 H128 Co4 N52 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1164","0.0823","","","0.2057","0.2288","","","","","","1.11","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248171","12.4723","0.0008","20.1964","0.001","22.0456","0.0011","90","","90","","90","","5553.2","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0478","0.0347","","","0.0588","0.0629","","","","","","1.022","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248172","12.4812","0.0007","20.2883","0.0013","22.2801","0.0015","90","","90","","90","","5641.8","0.6","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 O15 Sm -","- C54 H41 Co N16 O15 Sm -","- C216 H164 Co4 N64 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0345","0.0284","","","0.0615","0.0641","","","","","","1.029","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248173","12.4061","0.001","20.1133","0.0017","21.9689","0.0019","90","","90","","90","","5481.8","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 O15 Sm -","- C54 H41 Co N16 O15 Sm -","- C216 H164 Co4 N64 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0352","0.0324","","","0.0783","0.0799","","","","","","1.01","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248174","12.4652","0.0006","17.7628","0.0008","22.4407","0.001","90","","90","","90","","4968.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co La N13 O15 -","- C48 H32 Co La N13 O15 -","- C192 H128 Co4 La4 N52 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0429","0.0348","","","0.0683","0.0715","","","","","","1.038","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248196","5.926","0.0012","22.325","0.005","22.507","0.005","90","","90","","90","","2977.6","1.1","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,6-dichloro-9H-carbazole","","- C12 H7 Cl2 N -","- C12 H7 Cl2 N -","- C144 H84 Cl24 N12 -","12","3","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.61","synchrotron","","0.0429","0.0414","","","0.1154","0.1165","","","","","","1.09","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248248","11.5467","0.0012","17.9284","0.0018","19.841","0.002","90","","90","","90","","4107.4","0.7","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H48 Cl Cu N6 O4 -","- C39 H48 Cl Cu N6 O4 -","- C156 H192 Cl4 Cu4 N24 O16 -","4","1","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.1529","0.1241","","","0.3243","0.3559","","","","","","1.055","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248302","14.4516","0.0001","18.0004","0.0001","26.7026","0.0002","90","","90","","90","","6946.27","0.08","301.92","0.14","301.92","0.14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cl2 F2 N8 O18 -","- C72 H72 Cl2 F2 N8 O18 -","- C288 H288 Cl8 F8 N32 O72 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","x-ray","1.54184","CuKα","","0.0566","0.0518","","","0.1452","0.1499","","","","","","1.016","","","","has coordinates,has disorder","291600","2024-05-05","02:21:44",""
"7248319","7.2662","0.0001","10.2301","0.0001","18.6721","0.0003","90","","90","","90","","1387.97","0.03","100","2","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,2-bis(4-bromo-2,6-difluorophenyl)disulfane","","- C12 H4 Br2 F4 S2 -","- C12 H4 Br2 F4 S2 -","- C48 H16 Br8 F16 S8 -","4","1","","Nowicki, Krzysztof; Krajewska, Joanna; Stępniewski, Tomasz; Wielechowska, Monika; Wińska, Patrycja; Kaczmarczyk, Anna; Korpowska, Julia; Selent, Jana; Marek-Urban, Paulina H.; Durka, Krzysztof; Wozniak, Krzysztof; Laudy, Agnieszka E.; Luliński, Sergiusz","Exploiting thiol-functionalized benzosiloxaboroles for achieving diverse substitution patterns – synthesis, characterization and biological evaluation of promising antibacterial agents","RSC Medicinal Chemistry","2024","","","","","10.1039/D4MD00061G","","x-ray","1.54184","CuKα","","0.0126","0.0125","","","0.0315","0.0316","","","","","","1.12","","","","has coordinates","290568","2024-03-21","00:58:28",""
"7248361","8.8226","0.0006","11.5942","0.0009","25.3522","0.0018","90","","90","","90","","2593.3","0.3","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C4.48 H2.88 B0.32 F0.64 N0.64 O0.32 S0.32 -","- C4.48 H2.88 B0.32 F0.64 N0.64 O0.32 S0.32 -","- C112 H72 B8 F16 N16 O8 S8 -","25","6.25","","Zheng, He; Li, Yan-Xue; Xiong, Wen-Chao; Wang, Xing-Cong; Gong, Shan-Shan; Pu, Shouzhi; Shi, Rongwei; Sun, Qi","Mechanistic insights into diversified photoluminescence behaviours of BF<sub>2</sub> complexes of <i>N</i>-benzoyl 2-aminobenzothiazoles.","Physical chemistry chemical physics : PCCP","2024","26","15","11611","11617","10.1039/d4cp00101j","","","0.71073","MoKα","","0.0401","0.0338","","","0.079","0.0821","","","","","","1.039","","","","has coordinates","291699","2024-05-05","04:11:28",""
"7248375","10.0589","0.0002","14.2921","0.0003","15.1181","0.0003","90","","90","","90","","2173.42","0.08","99.8","0.7","99.8","0.7","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Compound 19","","- C25 H34 O5 -","- C25 H34 O5 -","- C100 H136 O20 -","4","1","","Ma, Chi Thanh; Huang, Tianqi; Yu, Jae Sik; Ly, Tu Loan; Vu Huynh, Kim Long; Kwon, Sung Won; Park, Jeong Hill; Yang, Hyun Ok","Sesquiterpenoids and hexanorcucurbitacin from Aquilaria malaccensis agarwood with anti-inflammatory effects by inhibiting the STAT1/AKT/MAPK/NLRP3 pathway","RSC Advances","2024","14","13","9391","9405","10.1039/D3RA08686K","","x-ray","1.54184","CuKα","","0.0382","0.0369","","","0.0976","0.0987","","","","","","1.067","","","","has coordinates","290746","2024-04-03","01:32:38",""
"7248392","9.8989","0.0003","11.368","0.0003","15.8912","0.0005","90","","90","","90","","1788.25","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Zhang, Xiao-Fang; Du, Jiao-Xian; Teng, Si-Qiong; Liu, Hui; He, Juan; Feng, Tao; Liu, Ji-Kai","Carpesabrolide A, a novel meroterpenoid with anti-inflammatory activity from Carpesium abrotanoides","RSC Advances","2024","14","16","11002","11006","10.1039/D4RA00292J","","","1.54178","CuKα","","0.031","0.0295","","","0.0723","0.0731","","","","","","1.057","","","","has coordinates","291134","2024-04-06","01:30:46",""
"7248512","6.8247","0.0001","15.1975","0.0003","20.6745","0.0004","90","","90","","90","","2144.33","0.07","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 N O4 -","- C25 H33 N O4 -","- C100 H132 N4 O16 -","4","1","","Yu, Jingbo; Chen, Hong; Zhang, Ziwen; Fang, Yuxin; Ying, Tao; Su, Weike","Ethanol-assisted mechanochemical asymmetric cross-dehydrogenative coupling reaction with recoverable chiral amine/NaCl for accessing chiral α-alkyl α-glycine derivatives","Green Chemistry","2024","","","","","10.1039/D4GC00947A","","","1.54178","CuKα","","0.0464","0.0407","","","0.1041","0.1077","","","","","","1.032","","","","has coordinates","291341","2024-04-23","23:31:09",""
"7248557","13.9471","0.0005","11.0713","0.0003","8.2857","0.0003","90","","90","","90","","1279.42","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O2 S2 -","- C12 H14 N2 O2 S2 -","- C48 H56 N8 O8 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","","","","","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0393","0.0379","","","0.1098","0.1107","","","","","","1.183","","","","has coordinates","291410","2024-04-29","22:40:48",""
"7700031","9.9037","0.0004","12.3136","0.0007","27.6207","0.0012","90","","90","","90","","3368.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H57 Nd -","- C39 H57 Nd -","- C156 H228 Nd4 -","4","1","","Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of enantiomerically pure pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8297","8302","10.1039/c9dt01721f","","","0.71073","MoKα","","0.0588","0.0418","","","0.0625","0.0689","","","","","","1.052","","","","has coordinates","224431","2020-10-21","18:00:00",""
"7700032","9.9249","0.0003","12.323","0.0004","27.7491","0.001","90","","90","","90","","3393.84","0.19","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H57 Ce -","- C39 H57 Ce -","- C156 H228 Ce4 -","4","1","","Fecker, Ann Christin; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and molecular structure of enantiomerically pure pentadienyl complexes of the rare-earth metals.","Dalton transactions (Cambridge, England : 2003)","2019","48","23","8297","8302","10.1039/c9dt01721f","","","0.71073","MoKα","","0.0397","0.0344","","","0.0742","0.0764","","","","","","1.183","","","","has coordinates","224431","2020-10-21","18:00:00",""
"7700090","15.006","0.0008","15.1859","0.0007","29.4759","0.0016","90","","90","","90","","6717","0.6","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H78 Cl7 P3 Pt2 Sn3 -","- C36 H78 Cl7 P3 Pt2 Sn3 -","- C144 H312 Cl28 P12 Pt8 Sn12 -","4","1","","Hidalgo, Nereida; Bajo, Sonia; Moreno, Juan José; Navarro-Gilabert, Carlos; Mercado, Brandon Q.; Campos, Jesús","Reactivity of a gold(i)/platinum(0) frustrated Lewis pair with germanium and tin dihalides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9127","9138","10.1039/c9dt00702d","","","0.71073","MoKα","","0.097","0.0646","","","0.1504","0.159","","","","","","1.079","","","","has coordinates","224212","2020-10-21","18:00:00",""
"7700091","11.9826","0.001","12.8906","0.0011","16.9382","0.0014","90","","90","","90","","2616.3","0.4","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 Au Cl3 Ge P -","- C24 H27 Au Cl3 Ge P -","- C96 H108 Au4 Cl12 Ge4 P4 -","4","1","","Hidalgo, Nereida; Bajo, Sonia; Moreno, Juan José; Navarro-Gilabert, Carlos; Mercado, Brandon Q.; Campos, Jesús","Reactivity of a gold(i)/platinum(0) frustrated Lewis pair with germanium and tin dihalides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9127","9138","10.1039/c9dt00702d","","","0.71073","MoKα","","0.0176","0.0167","","","0.0411","0.0415","","","","","","1.004","","","","has coordinates","224212","2020-10-21","18:00:00",""
"7700099","6.332","0.0003","11.9658","0.0005","20.2599","0.0011","90","","90","","90","","1535.04","0.13","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H24 Cl Co N4 O8 -","- C6 H24 Cl Co N4 O8 -","- C24 H96 Cl4 Co4 N16 O32 -","4","1","","Damjanović, Vladimir; Pisk, Jana; Kuzman, Dino; Agustin, Dominique; Vrdoljak, Višnja; Stilinović, Vladimir; Cindrić, Marina","The synthesis, structure and catalytic properties of the [Mo<sub>7</sub>O<sub>24</sub>(μ-Mo<sub>8</sub>O<sub>26</sub>)Mo<sub>7</sub>O<sub>24</sub>]<sup>16-</sup> anion formed via two intermediate heptamolybdates [Co(en)<sub>3</sub>]<sub>2</sub>[NaMo<sub>7</sub>O<sub>24</sub>]Cl·nH<sub>2</sub>O and (H<sub>3</sub>O)[Co(en)<sub>3</sub>]<sub>2</sub>[Mo<sub>7</sub>O<sub>24</sub>]Cl·9H<sub>2</sub>O.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9974","9983","10.1039/c9dt01625b","","","0.7107","MoKα","","0.0435","0.0332","","","0.0655","0.0669","","","","","","0.935","","","","has coordinates","223871","2020-10-21","18:00:00",""
"7700112","15.043","0.002","15.635","0.002","25.974","0.004","90","","90","","90","","6109","1.5","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H78 Eu2 N16 O22 -","- C52 H62 Eu2 N16 O22 -","- C208 H248 Eu8 N64 O88 -","4","1","","Starynowicz, Przemysław; Lisowski, Jerzy","Chirality transfer between hexaazamacrocycles in heterodinuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8717","8724","10.1039/c9dt01318k","","","0.71073","MoKα","","0.0381","0.0352","","","0.0759","0.0772","","","","","","1.101","","","","has coordinates,has disorder","223788","2020-10-21","18:00:00",""
"7700114","14.841","0.004","15.566","0.003","25.872","0.004","90","","90","","90","","5977","2","85","2","85","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H70 N16 Nd2 O19 -","- C52 H62 N16 Nd2 O19 -","- C208 H248 N64 Nd8 O76 -","4","1","","Starynowicz, Przemysław; Lisowski, Jerzy","Chirality transfer between hexaazamacrocycles in heterodinuclear rare earth complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8717","8724","10.1039/c9dt01318k","","","0.71073","MoKα","","0.0487","0.0389","","","0.0696","0.0748","","","","","","1.045","","","","has coordinates","223788","2020-10-21","18:00:00",""
"7700130","9.64361","0.00015","16.6534","0.0004","26.222","0.0004","90","","90","","90","","4211.22","0.14","172.99","0.1","172.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 F6 N5 P -","- C20 H20 F6 N5 P -","- C160 H160 F48 N40 P8 -","8","2","","Karmis, Rebecca E.; Carrara, Serena; Baxter, Amy A.; Hogan, Conor F.; Hulett, Mark D.; Barnard, Peter J.","Luminescent iridium(iii) complexes of N-heterocyclic carbene ligands prepared using the 'click reaction'.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","9998","10010","10.1039/c9dt01362h","","","1.54184","CuKα","","0.0575","0.053","","","0.1451","0.1498","","","","","","1.06","","","","has coordinates","223857","2020-10-21","18:00:00",""
"7700182","9.027","0.0018","15.942","0.003","17.225","0.003","90","","90","","90","","2478.8","0.8","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl N6 P Pd -","- C25 H24 Cl N6 P Pd -","- C100 H96 Cl4 N24 P4 Pd4 -","4","1","","Wagner, Hanna E.; Hohnstein, Silvia; Schußmann, Max G; Steppe, Lukas A.; Breher, Frank","Phosphine-functionalised tris(pyrazolyl)methane ligands and their mono- and heterobimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15397","15407","10.1039/c9dt02057h","","","0.71073","MoKα","","0.0623","0.0503","","","0.128","0.1489","","","","","","1.059","","","","has coordinates,has disorder","223900","2020-10-21","18:00:00",""
"7700228","5.0707","0.0001","17.1292","0.0003","20.6984","0.0004","90","","90","","90","","1797.8","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 B2 O4 Te -","- C20 H16 B2 O4 Te -","- C80 H64 B8 O16 Te4 -","4","1","","Braun, Christina A.; Martinek, Nicole; Zhou, Yuqiao; Ferguson, Michael J.; Rivard, Eric","Using boryl-substitution and improved Suzuki-Miyaura cross-coupling to access new phosphorescent tellurophenes.","Dalton transactions (Cambridge, England : 2003)","2019","48","27","10210","10219","10.1039/c9dt02095k","","","1.54178","CuKα","","0.0204","0.0203","","","0.049","0.049","","","","","","1.077","","","","has coordinates","223867","2020-10-21","18:00:00",""
"7700285","12.4119","0.0003","16.2512","0.0004","20.0292","0.0005","90","","90","","90","","4040.06","0.17","180.01","0.1","180.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H61 Er O3 -","- C46 H61 Er O3 -","- C184 H244 Er4 O12 -","4","1","","Meng, Yin-Shan; Yang, Mu-Wen; Xu, Ling; Xiong, Jin; Hu, Ji-Yun; Liu, Tao; Wang, Bing-Wu; Gao, Song","Design principle of half-sandwich type erbium single-ion magnets through crystal field engineering: a combined magnetic and electronic structure study.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10407","10411","10.1039/c9dt01954e","","","0.71073","MoKα","","0.0387","0.0281","","","0.0486","0.053","","","","","","1.05","","","","has coordinates","223774","2020-10-21","18:00:00",""
"7700309","11.9009","0.0004","15.3904","0.0006","22.0285","0.0009","90","","90","","90","","4034.7","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H35 N7 O Pd2 -","- C51 H35 N7 O Pd2 -","- C204 H140 N28 O4 Pd8 -","4","1","","Lin, Jinqiang; Zou, Chao; Zhang, Xiaobao; Gao, Qin; Suo, Sa; Zhuo, Qihang; Chang, Xiaoyong; Xie, Mo; Lu, Wei","Highly phosphorescent organopalladium(ii) complexes with metal-metal-to-ligand charge-transfer excited states in fluid solutions.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10417","10421","10.1039/c9dt02525a","","x-ray","0.71073","MoKα","","0.0219","0.0194","","","0.0497","0.0511","","","","","","0.904","","","","has coordinates","223772","2020-10-21","18:00:00",""
"7700310","11.4577","0.0012","16.1072","0.0019","22.226","0.002","90","","90","","90","","4101.8","0.7","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C52 H36 N4 O Pd2 S -","- C52 H36 N4 O Pd2 S -","- C208 H144 N16 O4 Pd8 S4 -","4","1","","Lin, Jinqiang; Zou, Chao; Zhang, Xiaobao; Gao, Qin; Suo, Sa; Zhuo, Qihang; Chang, Xiaoyong; Xie, Mo; Lu, Wei","Highly phosphorescent organopalladium(ii) complexes with metal-metal-to-ligand charge-transfer excited states in fluid solutions.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10417","10421","10.1039/c9dt02525a","","x-ray","0.71073","MoKα","","0.0542","0.038","","","0.0576","0.0616","","","","","","1.035","","","","has coordinates","223772","2020-10-21","18:00:00",""
"7700351","9.061","0.0005","13.2205","0.0009","14.399","0.0007","90","","90","","90","","1724.87","0.17","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 Br4 Cd S2 -","- C6 H18 Br4 Cd S2 -","- C24 H72 Br16 Cd4 S8 -","4","1","","Chen, Xiao-Gang; Zhang, Yao-Zu; Sun, Dong-Sheng; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Above room-temperature dielectric and nonlinear optical switching materials based on [(CH<sub>3</sub>)<sub>3</sub>S]<sub>2</sub>[MBr<sub>4</sub>] (M = Cd, Mn and Zn).","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11292","11297","10.1039/c9dt02045d","","","0.71073","MoKα","","0.1134","0.0606","","","0.0926","0.1034","","","","","","1.021","","","","has coordinates","224353","2020-10-21","18:00:00",""
"7700352","9.0416","0.0003","13.1334","0.0006","14.2839","0.0006","90","","90","","90","","1696.17","0.12","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 Br4 Mn S2 -","- C6 H18 Br4 Mn S2 -","- C24 H72 Br16 Mn4 S8 -","4","1","","Chen, Xiao-Gang; Zhang, Yao-Zu; Sun, Dong-Sheng; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Above room-temperature dielectric and nonlinear optical switching materials based on [(CH<sub>3</sub>)<sub>3</sub>S]<sub>2</sub>[MBr<sub>4</sub>] (M = Cd, Mn and Zn).","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11292","11297","10.1039/c9dt02045d","","","0.71073","MoKα","","0.0774","0.0456","","","0.0957","0.1027","","","","","","1.084","","","","has coordinates","224353","2020-10-21","18:00:00",""
"7700355","9.0214","0.0004","13.0817","0.0005","14.2236","0.0006","90","","90","","90","","1678.6","0.12","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H18 Br4 S2 Zn -","- C6 H18 Br4 S2 Zn -","- C24 H72 Br16 S8 Zn4 -","4","1","","Chen, Xiao-Gang; Zhang, Yao-Zu; Sun, Dong-Sheng; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Above room-temperature dielectric and nonlinear optical switching materials based on [(CH<sub>3</sub>)<sub>3</sub>S]<sub>2</sub>[MBr<sub>4</sub>] (M = Cd, Mn and Zn).","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11292","11297","10.1039/c9dt02045d","","","0.71073","MoKα","","0.078","0.0466","","","0.0724","0.0774","","","","","","1.036","","","","has coordinates","224353","2020-10-21","18:00:00",""
"7700382","11.7637","0.0001","14.7379","0.0003","20.9329","0.0003","90","","90","","90","","3629.18","0.1","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 N6 O2 Os P -","- C41 H32 N6 O2 Os P -","- C164 H128 N24 O8 Os4 P4 -","4","1","","Xiang, Jing; Su, Qian-Qian; Luo, Li-Juan; Lau, Tai-Chu","Synthesis and reactivity of an osmium(iii) aminoguanidine complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11404","11410","10.1039/c9dt01711a","","","1.54178","CuKα","","0.0442","0.0387","","","0.096","0.099","","","","","","1.031","","","","has coordinates,has disorder","224349","2020-10-21","18:00:00",""
"7700383","11.7382","0.0001","16.3662","0.0002","20.8351","0.0002","90","","90","","90","","4002.63","0.07","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 N8 O3 Os P -","- C42 H38 N8 O3 Os P -","- C168 H152 N32 O12 Os4 P4 -","4","1","","Xiang, Jing; Su, Qian-Qian; Luo, Li-Juan; Lau, Tai-Chu","Synthesis and reactivity of an osmium(iii) aminoguanidine complex.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11404","11410","10.1039/c9dt01711a","","","1.54178","CuKα","","0.0287","0.0274","","","0.0702","0.0708","","","","","","1.043","","","","has coordinates","224349","2020-10-21","18:00:00",""
"7700409","6.918","0.0001","10.5403","0.0002","33.2991","0.0007","90","","90","","90","","2428.1","0.08","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 B Br2 F2 N2 -","- C27 H23 B Br2 F2 N2 -","- C108 H92 B4 Br8 F8 N8 -","4","1","","Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.","gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11492","11507","10.1039/c9dt02309g","","","1.54178","CuKα","","0.0821","0.0509","","","0.1045","0.1181","","","","","","1.012","","","","has coordinates","224346","2020-10-21","18:00:00",""
"7700410","6.9896","0.0003","10.5341","0.0004","27.653","0.001","90","","90","","90","","2036.07","0.14","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 B Br2 F2 N2 -","- C21 H19 B Br2 F2 N2 -","- C84 H76 B4 Br8 F8 N8 -","4","1","","Ali, Hasrat; Guérin, Brigitte; van Lier, Johan E.","gem-Dibromovinyl boron dipyrrins: synthesis, spectral properties and crystal structures.","Dalton transactions (Cambridge, England : 2003)","2019","48","30","11492","11507","10.1039/c9dt02309g","","x-ray","1.54186","CuKα","","0.0503","0.0429","","","0.103","0.1085","","","","","","1.047","","","","has coordinates,has disorder","224346","2020-10-21","18:00:00",""
"7700521","9.9426","0.0001","20.1639","0.0003","24.4987","0.0003","90","","90","","90","","4911.54","0.11","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H72 B N5 O2 Si -","- C53 H72 B N5 O2 Si -","- C212 H288 B4 N20 O8 Si4 -","4","1","","Yuvaraj, K.; Jones, Cameron","Synthesis and reactivity of boryl substituted silaimines.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11961","11965","10.1039/c9dt02657f","","","1.54184","CuKα","","0.0506","0.0485","","","0.1254","0.1269","","","","","","1.049","","","","has coordinates","224362","2020-10-21","18:00:00",""
"7700587","16.5663","0.0001","22.8606","0.0001","26.4461","0.0001","90","","90","","90","","10015.5","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C203 H75 Al4 F60 I12 N27 -","- C203 H75 Al4 F60 I12 N27 -","- C406 H150 Al8 F120 I24 N54 -","2","0.5","","Zhan, Xuan; Yadav, Pinky; Diskin-Posner, Yael; Fridman, Natalia; Sundararajan, Mahesh; Ullah, Zakir; Chen, Qiu-Cheng; Shimon, Linda J. W.; Mahammed, Atif; Churchill, David G.; Baik, Mu-Hyun; Gross, Zeev","Positive shift in corrole redox potentials leveraged by modest β-CF<sub>3</sub>-substitution helps achieve efficient photocatalytic C-H bond functionalization by group 13 complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","32","12279","12286","10.1039/c9dt02150g","","","1.54184","CuKα","","0.048","0.0463","","","0.118","0.119","","","","","","1.037","","","","has coordinates,has disorder","223917","2020-10-21","18:00:00",""
"7700590","6.6821","0.0017","8.791","0.002","13.632","0.003","90","","90","","90","","800.8","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Neodymium iodate sulfate","","","- Dy2 H12 I2 O20 S2 -","- Dy2 H12 I2 O20 S2 -","- Dy4 H24 I4 O40 S4 -","2","0.5","","Lu, Huangjie; Guo, Xiaojing; Wang, Yaxing; Diefenbach, Kariem; Chen, Lanhua; Wang, Jian-Qiang; Lin, Jian; Wang, Shuao","Size-dependent selective crystallization using an inorganic mixed-oxoanion system for lanthanide separation.","Dalton transactions (Cambridge, England : 2003)","2019","48","34","12808","12811","10.1039/c9dt02387a","","","0.71073","MoKα","","0.0246","0.0238","","","0.0594","0.0598","","","","","","0.948","","","","has coordinates","224528","2020-10-21","18:00:00",""
"7700877","19.164","0.002","21.57","0.003","25.123","0.003","90","","90","","90","","10385","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C108 H124 Cu2 N16 O4 S4 -","- C108 H124 Cu2 N16 O4 S4 -","- C432 H496 Cu8 N64 O16 S16 -","4","1","","Fei, Bao-Li; Tu, Shuangyan; Wei, Zuzhuang; Wang, Pingping; Long, Jian-Ying; Qiao, Chunhua; Chen, Zhen-Feng","Biological evaluation of optically pure chiral binuclear copper(ii) complexes based on a rosin derivative as highly potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15646","15656","10.1039/c9dt01942a","","","0.71073","MoKα","","0.2429","0.0814","","","0.1533","0.1877","","","","","","0.907","","","","has coordinates","223888","2020-10-21","18:00:00",""
"7700878","12.5096","0.0006","14.2481","0.0008","32.6019","0.0018","90","","90","","90","","5810.9","0.5","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C54 H62 Cl2 Cu2 N8 O2 S2 -","- C54 H62 Cl2 Cu2 N8 O2 S2 -","- C216 H248 Cl8 Cu8 N32 O8 S8 -","4","1","","Fei, Bao-Li; Tu, Shuangyan; Wei, Zuzhuang; Wang, Pingping; Long, Jian-Ying; Qiao, Chunhua; Chen, Zhen-Feng","Biological evaluation of optically pure chiral binuclear copper(ii) complexes based on a rosin derivative as highly potential anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15646","15656","10.1039/c9dt01942a","","","0.71073","MoKα","","0.0829","0.0519","","","0.1193","0.1275","","","","","","0.985","","","","has coordinates","223888","2020-10-21","18:00:00",""
"7700887","6.416","0.0003","16.3665","0.0008","20.9513","0.001","90","","90","","90","","2200.04","0.18","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","3[BF4]","3[BF4]","","- C25 H20 B Cl F4 N2 Ru -","- C25 H20 B Cl F4 N2 Ru -","- C100 H80 B4 Cl4 F16 N8 Ru4 -","4","1","","Haghdoost, Mohammad Mehdi; Golbaghi, Golara; Guard, Juliette; Sielanczyk, Sarah; Patten, Shunmoogum A.; Castonguay, Annie","Synthesis, characterization and biological evaluation of cationic organoruthenium(ii) fluorene complexes: influence of the nature of the counteranion.","Dalton transactions (Cambridge, England : 2003)","2019","48","35","13396","13405","10.1039/c9dt00143c","","x-ray","1.54178","CuKα","","0.0525","0.0524","","","0.1289","0.129","","","","","","1.241","","","","has coordinates,has disorder","224497","2020-10-21","18:00:00",""
"7700916","8.0086","0.0003","10.5904","0.0004","25.9678","0.0009","90","","90","","90","","2202.44","0.14","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H13 Cl N5 O4 Re -","- C23 H13 Cl N5 O4 Re -","- C92 H52 Cl4 N20 O16 Re4 -","4","1","","Wang, Jinhui; Poirot, Alexandre; Delavaux-Nicot, Béatrice; Wolff, Mariusz; Mallet-Ladeira, Sonia; Calupitan, Jan Patrick; Allain, Clémence; Benoist, Eric; Fery-Forgues, Suzanne","Optimization of aggregation-induced phosphorescence enhancement in mononuclear tricarbonyl rhenium(i) complexes: the influence of steric hindrance and isomerism.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","15906","15916","10.1039/c9dt02786f","","","0.71073","MoKα","","0.0525","0.0281","","","0.0391","0.0441","","","","","","1.06","","","","has coordinates","224015","2020-10-21","18:00:00",""
"7701018","10.5109","0.0002","15.1977","0.0002","20.4077","0.0003","90","","90","","90","","3259.96","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 Gd N5 O8 -","- C30 H48 Gd N5 O8 -","- C120 H192 Gd4 N20 O32 -","4","1","","Kühne, Irina A; Ungur, Liviu; Esien, Kane; Carter, Anthony B.; Gordon, John D.; Pauly, Cameron; Müller-Bunz, Helge; Felton, Solveig; Zerulla, Dominic; Morgan, Grace G.","Comparison of two field-induced Er<sup>III</sup> single ion magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15679","15686","10.1039/c9dt02434d","","","0.71073","MoKα","","0.0335","0.0266","","","0.044","0.0466","","","","","","1.052","","","","has coordinates","223882","2020-10-21","18:00:00",""
"7701020","10.6073","0.0003","15.3338","0.0004","20.435","0.0005","90","","90","","90","","3323.76","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 Er N5 O8 -","- C30 H48 Er N5 O8 -","- C120 H192 Er4 N20 O32 -","4","1","","Kühne, Irina A; Ungur, Liviu; Esien, Kane; Carter, Anthony B.; Gordon, John D.; Pauly, Cameron; Müller-Bunz, Helge; Felton, Solveig; Zerulla, Dominic; Morgan, Grace G.","Comparison of two field-induced Er<sup>III</sup> single ion magnets.","Dalton transactions (Cambridge, England : 2003)","2019","48","41","15679","15686","10.1039/c9dt02434d","","","0.71073","MoKα","","0.0438","0.0379","","","0.0851","0.0909","","","","","","1.042","","","","has coordinates","223882","2020-10-21","18:00:00",""
"7701046","4.84411","0.00012","8.41328","0.00019","12.0451","0.0003","90","","90","","90","","490.9","0.02","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ba Ge O S2 -","- Ba Ge O S2 -","- Ba4 Ge4 O4 S8 -","4","1","","Zhang, Xian; Xiao, Yi; Wang, Ruiqi; Fu, Pengxiang; Zheng, Chong; Huang, Fuqiang","Synthesis, crystal structures and optical properties of noncentrosymmetric oxysulfides AeGeS<sub>2</sub>O (Ae = Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14662","14668","10.1039/c9dt02780g","","","0.71073","MoKα","","0.012","0.012","","","0.0264","0.0264","","","","","","1.175","","","","has coordinates","224054","2020-10-21","18:00:00",""
"7701047","4.6627","0.0004","8.0622","0.0007","12.0975","0.0013","90","","90","","90","","454.76","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ge O S2 Sr -","- Ge O S2 Sr -","- Ge4 O4 S8 Sr4 -","4","1","","Zhang, Xian; Xiao, Yi; Wang, Ruiqi; Fu, Pengxiang; Zheng, Chong; Huang, Fuqiang","Synthesis, crystal structures and optical properties of noncentrosymmetric oxysulfides AeGeS<sub>2</sub>O (Ae = Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14662","14668","10.1039/c9dt02780g","","","0.71073","MoKα","","0.0345","0.0287","","","0.0556","0.0581","","","","","","0.995","","","","has coordinates","224054","2020-10-21","18:00:00",""
"7701128","11.5573","0.0001","16.2109","0.0001","16.2745","0.0001","90","","90","","90","","3049.1","0.04","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 Cl3 In Ir N3 P2 -","- C26 H36 Cl3 In Ir N3 P2 -","- C104 H144 Cl12 In4 Ir4 N12 P8 -","4","1","","Takaya, Jun; Hoshino, Mayuko; Ueki, Kanako; Saito, Narumasa; Iwasawa, Nobuharu","Synthesis, structure, and reactivity of pincer-type iridium complexes having gallyl- and indyl-metalloligands utilizing 2,5-bis(6-phosphino-2-pyridyl)pyrrolide as a new scaffold for metal-metal bonds.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14606","14610","10.1039/c9dt03443a","","","1.54184","CuKα","","0.0205","0.0203","","","0.0523","0.0524","","","","","","1.033","","","","has coordinates","224039","2020-10-21","18:00:00",""
"7701185","10.7007","0.0004","14.7879","0.0007","17.9151","0.0007","90","","90","","90","","2834.9","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H31 Cl2 N3 Pd -","- C32 H31 Cl2 N3 Pd -","- C128 H124 Cl8 N12 Pd4 -","4","1","","Almallah, Hamzé; Brenner, Eric; Matt, Dominique; Harrowfield, Jack; Jahjah, Mohamad; Hijazi, Akram","Palladium complexes of N-heterocyclic carbenes displaying an unsymmetrical N-alkylfluorenyl/N'-aryl substitution pattern and their behaviour in Suzuki-Miyaura cross coupling.","Dalton transactions (Cambridge, England : 2003)","2019","48","38","14516","14529","10.1039/c9dt02948f","","","0.71073","MoKα","","0.0371","0.0326","","","0.0668","0.0703","","","","","","1.172","","","","has coordinates","224563","2020-10-21","18:00:00",""
"7701198","16.5304","0.0004","21.5083","0.0005","34.7813","0.0007","90","","90","","90","","12366.2","0.5","153.15","","153.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C122 H117 Dy4 N19 O36 -","- C122 H117 Dy4 N19 O36 -","- C488 H468 Dy16 N76 O144 -","4","1","","Li, Ge; Wang, Li; Han, Qingxin; Liu, Weisheng","Construction of homochiral alkaline-lanthanide heteronuclear helicates with Na<sup>+</sup>-selective bonding in the self-assembly process.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14595","14599","10.1039/c9dt02483b","","","1.54178","CuKα","","0.0417","0.0401","","","0.1051","0.1061","","","","","","1.022","","","","has coordinates,has disorder","224040","2020-10-21","18:00:00",""
"7701200","16.4632","0.0002","21.676","0.0004","34.76","0.0006","90","","90","","90","","12404.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C121 H116 Dy4 N19 O39 -","- C121 H116 Dy4 N19 O39 -","- C484 H464 Dy16 N76 O156 -","4","1","","Li, Ge; Wang, Li; Han, Qingxin; Liu, Weisheng","Construction of homochiral alkaline-lanthanide heteronuclear helicates with Na<sup>+</sup>-selective bonding in the self-assembly process.","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14595","14599","10.1039/c9dt02483b","","x-ray","0.71073","MoKα","","0.0667","0.0521","","","0.1248","0.1355","","","","","","1.029","","","","has coordinates,has disorder","224040","2020-10-21","18:00:00",""
"7701247","8.9879","0.0003","10.9776","0.0003","26.2559","0.0007","90","","90","","90","","2590.55","0.13","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 Al2 -","- C32 H40 Al2 -","- C128 H160 Al8 -","4","1","","Haider, Wasim; Andrada, Diego M.; Bischoff, Inga-Alexandra; Huch, Volker; Schäfer, André","A bis(aluminocenophane) with a short aluminum-aluminum single bond.","Dalton transactions (Cambridge, England : 2003)","2019","48","40","14953","14957","10.1039/c9dt03470f","","","0.71073","MoKα","","0.0283","0.026","","","0.0678","0.0693","","","","","","1.082","","","","has coordinates","224264","2020-10-21","18:00:00",""
"7701271","7.197","0.002","14.315","0.003","26.37","0.005","90","","90","","90","","2716.8","1.1","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 Au Br2 N O2 S2 -","- C7 H10 Au Br2 N O2 S2 -","- C56 H80 Au8 Br16 N8 O16 S16 -","8","2","","Brustolin, L.; Pettenuzzo, N.; Nardon, C.; Quarta, S.; Marchiò, L; Biondi, B.; Pontisso, P.; Fregona, D.","Au(iii)-Proline derivatives exhibiting selective antiproliferative activity against HepG2/SB3 apoptosis-resistant cancer cells.","Dalton transactions (Cambridge, England : 2003)","2019","48","42","16017","16025","10.1039/c9dt03036k","","","0.71073","MoKα","","0.0461","0.0369","","","0.0783","0.0844","","","","","","1.009","","","","has coordinates","224014","2020-10-21","18:00:00",""
"7701297","9.5986","0.0019","11.43","0.002","29.056","0.006","90","","90","","90","","3187.8","1.1","25","2","25","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 F N Si -","- C19 H20 F N Si -","- C152 H160 F8 N8 Si8 -","8","2","","Fugel, Malte; Ponomarenko, Maksym; Hesse, Maxie F.; Malaspina, Lorraine Andrade; Kleemiss, Florian; Sugimoto, Kunihisa; Genoni, Alessandro; Röschenthaler, Gerd-Volker; Grabowsky, Simon","Complementary bonding analysis of the N – Si interaction in pentacoordinated silicon compounds using quantum crystallography","Dalton Transactions","2019","","","","","10.1039/C9DT02772F","","","0.4133","synchrotron","","0.0244","0.0244","","0.0207","0.0207","","0.0398","","3.5364","3.5364","3.5364","","","","","has coordinates","288574","2023-12-31","01:38:45",""
"7701369","16.489","0.003","18.767","0.004","25.47","0.005","90","","90","","90","","7882","3","123","2","123.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H68 Ag10 Cl3 N3 O24 S6 -","- C62 H68 Ag10 Cl3 N3 O24 S6 -","- C248 H272 Ag40 Cl12 N12 O96 S24 -","4","1","","Gupta, Arvind Kumar Kumar; Orthaber, Andreas","Facile synthesis of silver alkynide cluster and coordination polymers using picolinic acid as co-ligand","Dalton Transactions","2019","","","","","10.1039/C9DT03697K","","","0.71073","MoKα","","0.1226","0.073","","","0.1636","0.1893","","","","","","1.082","","","","has coordinates,has disorder","219347","2020-10-21","18:00:00",""
"7701388","11.036","0.002","13.168","0.003","20.936","0.004","90","","90","","90","","3042.5","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N6 O10.5 Pt -","- C26 H36 N6 O10.5 Pt -","- C104 H144 N24 O42 Pt4 -","4","1","","Deo, Krishant Moneesh; Sakoff, Jennette; Gilbert, Jayne; Zhang, Yingjie; Aldrich-Wright, Janice R","Synthesis, Characterisation and Potent Cytotoxicity of Unconventional Platinum(IV) Complexes with Modified Lipophilicity","Dalton Transactions","2019","","","","","10.1039/C9DT03339D","","","0.7108","silicondoublecrystalmonochromatedsynchrotron","","0.0771","0.0757","","","0.2056","0.2081","","","","","","1.06","","","","has coordinates","219393","2020-10-21","18:00:00",""
"7701399","11.89718","0.00019","14.848","0.0002","35.2391","0.0005","90","","90","","90","","6224.96","0.16","120","0.1","120","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H95 In N4 O Si2 Zn -","- C64 H95 In N4 O Si2 Zn -","- C256 H380 In4 N16 O4 Si8 Zn4 -","4","1","","Anker, Mathew David; Altaf, Yasir; Lein, Matthias; Coles, Martyn P.","Reactions of In‒Zn Bonds with Organic Azides: Products that Result from Hetero- and Homo-bimetallic Behaviour","Dalton Transactions","2019","","","","","10.1039/C9DT03990B","","x-ray","1.54184","CuKα","","0.0286","0.0276","","","0.0664","0.0669","","","","","","1.035","","","","has coordinates","219446","2020-10-21","18:00:00",""
"7701430","7.2579","0.0003","13.8117","0.0005","16.298","0.0006","90","","90","","90","","1633.78","0.11","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N4 O4 V -","- C18 H15 N4 O4 V -","- C72 H60 N16 O16 V4 -","4","1","","Tshentu, Zenixole; Dembaremba, Tendai; Correia, Isabel; Pessoa, João Costa; Gerber, Wilhelmus Jacobus; Kuznetsov, Maxim L.; Hosten, Eric Cyriel; Ogunlaja, Adeniyi","New V(IV)O-complexes for oxidative desulfurization of refractory sulfur compounds in fuel: synthesis, structure, reactivity trend and mechanistic studies","Dalton Transactions","2019","","","","","10.1039/C9DT02505G","","","0.71073","MoKα","","0.033","0.0285","","","0.0744","0.0763","","","","","","1.075","","","","has coordinates","219504","2020-10-21","18:00:00",""
"7701431","15.3157","0.0007","15.8806","0.0008","22.1939","0.0013","90","","90","","90","","5398.1","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Br2 N4 O5 S2 V -","- C22 H24 Br2 N4 O5 S2 V -","- C176 H192 Br16 N32 O40 S16 V8 -","8","2","","Tshentu, Zenixole; Dembaremba, Tendai; Correia, Isabel; Pessoa, João Costa; Gerber, Wilhelmus Jacobus; Kuznetsov, Maxim L.; Hosten, Eric Cyriel; Ogunlaja, Adeniyi","New V(IV)O-complexes for oxidative desulfurization of refractory sulfur compounds in fuel: synthesis, structure, reactivity trend and mechanistic studies","Dalton Transactions","2019","","","","","10.1039/C9DT02505G","","","0.71073","MoKα","","0.07","0.0418","","","0.0898","0.1028","","","","","","1.029","","","","has coordinates,has disorder","219504","2020-10-21","18:00:00",""
"7701538","5.4263","0.0001","6.844","0.0001","20.3202","0.0003","90","","90","","90","","754.64","0.02","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H9 N2 Na O3 -","- C6 H9 N2 Na O3 -","- C24 H36 N8 Na4 O12 -","4","1","","Borrego, Elena; Nicasio, Antonio I.; Álvarez, Eleuterio; Montilla, Francisco; Córdoba, José Manuel; Galindo, Agustín","Synthesis and structural characterization of homochiral coordination polymers with imidazole-based monocarboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8731","8739","10.1039/c9dt01237k","","","0.71073","MoKα","","0.0224","0.0222","","","0.0597","0.0598","","","","","","1.085","","","","has coordinates","223298","2020-10-21","18:00:00",""
"7701570","12.5739","0.0007","15.628","0.0009","16.2194","0.0009","90","","90","","90","","3187.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(8?-oxyquinolinato)-9-borafluorene","","- C21 H14 B N O -","- C21 H14 B N O -","- C168 H112 B8 N8 O8 -","8","2","","Urban, Mateusz; Durka, Krzysztof; Górka, Patrycja; Wiosna-Sałyga, Gabriela; Nawara, Krzysztof; Jankowski, Piotr; Luliński, Sergiusz","The effect of locking π-conjugation in organoboron moieties in the structures of luminescent tetracoordinate boron complexes.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8642","8663","10.1039/c9dt01332f","","x-ray","0.71073","MoKα","","0.1322","0.0733","","","0.1333","0.1636","","","","","","1.033","","","","has coordinates","223302","2020-10-21","18:00:00",""
"7701661","9.9388","0.0002","15.589","0.0004","19.0437","0.0005","90","","90","","90","","2950.55","0.12","90","","90","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 N4 O6 P2 Ti -","- C24 H42 N4 O6 P2 Ti -","- C96 H168 N16 O24 P8 Ti4 -","4","1","","Perry, Mitchell R.; Gilmour, Damon J.; Schafer, Laurel L.","Mono, bis, and tris(phosphoramidate) titanium complexes: synthesis, structure, and reactivity investigations.","Dalton transactions (Cambridge, England : 2003)","2019","48","26","9782","9790","10.1039/c9dt00911f","","","0.71073","MoKα","","0.0435","0.0351","","","0.0726","0.0757","","","","","","1.036","","","","has coordinates","223329","2020-10-21","18:00:00",""
"7701712","13.4539","0.0001","18.6681","0.0002","23.0034","0.0003","90","","90","","90","","5777.51","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H87 B2 Ge N7 O2 -","- C58 H87 B2 Ge N7 O2 -","- C232 H348 B8 Ge4 N28 O8 -","4","1","","Kristinsdóttir, Lilja; Oldroyd, Nicola L.; Grabiner, Rachel; Knights, Alastair W.; Heilmann, Andreas; Protchenko, Andrey V.; Niu, Haoyu; Kolychev, Eugene L.; Campos, Jesús; Hicks, Jamie; Christensen, Kirsten E.; Aldridge, Simon","Synthetic, structural and reaction chemistry of N-heterocyclic germylene and stannylene compounds featuring N-boryl substituents.","Dalton transactions (Cambridge, England : 2003)","2019","48","31","11951","11960","10.1039/c9dt02449b","","","1.54184","CuKα","","0.0294","0.027","","","0.0695","0.0714","","","","","","1.015","","","","has coordinates","223342","2020-10-21","18:00:00",""
"7701820","3.9058","0.0004","16.7955","0.0015","20.5409","0.0009","90","","90","","90","","1347.48","0.19","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,4-Bis(4-chloropyrazol-1-yl)-6H-1,3,5-triazine acetonitrile solvate","","- C11 H8 Cl2 N8 -","- C11 H8 Cl2 N8 -","- C44 H32 Cl8 N32 -","4","1","","Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm","Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands","Dalton Transactions","2019","","","","","10.1039/C9DT04003J","","","1.54184","CuKα","","0.0375","0.0332","","","0.0856","0.0879","","","","","","1.065","","","","has coordinates","223398","2020-10-21","18:00:00",""
"7701831","10.036","0.0007","18.353","0.0014","18.4828","0.0013","90","","90","","90","","3404.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H56 Mg N4 Si4 -","- C23 H56 Mg N4 Si4 -","- C92 H224 Mg4 N16 Si16 -","4","1","","Freeman, Lucas; Walley, Jacob; Dickie, Diane Amanda; Gilliard, Robert J.","Low-Nuclearity Magnesium Hydride Complexes Stabilized by N-Heterocyclic Carbenes","Dalton Transactions","2019","","","","","10.1039/C9DT03915E","","","0.71073","MoKα","","0.0365","0.0308","","","0.0787","0.0826","","","","","","1.051","","","","has coordinates","223438","2020-10-21","18:00:00",""
"7701865","8.19366","0.00013","9.78266","0.00016","15.4593","0.0004","90","","90","","90","","1239.15","0.04","295.11","0.1","295.11","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Br3 N2 Pb -","- C6 H11 Br3 N2 Pb -","- C24 H44 Br12 N8 Pb4 -","4","1","","Deng, Yuandan; Dong, Xuehua; Yang, Meng; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Two low-dimensional metal halides: ionothermal synthesis, photoluminescence, and nonlinear optical properties","Dalton Transactions","2019","","","","","10.1039/C9DT04102H","","x-ray","1.54184","CuKα","","0.0554","0.0547","","","0.1339","0.1351","","","","","","1.122","","","","has coordinates","227627","2020-10-21","18:00:00",""
"7701930","4.1521","0.0004","8.1183","0.0007","30.921","0.004","90","","90","","90","","1042.28","0.19","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 O S3 Tl -","- C8 H7 O S3 Tl -","- C32 H28 O4 S12 Tl4 -","4","1","","Yadav, Chote Lal; Rajput, Gunjan; Manar, Krishna K.; Kumari, Kavita; Drew, Michael G. B.; Singh, Nanhai","Cooperative metal-ligand influence on the formation of coordination polymers, and conducting and photophysical properties of Tl(i) β-oxodithioester complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16264","16278","10.1039/c8dt03694b","","","0.71073","MoKα","","0.0813","0.0692","","","0.1625","0.1703","","","","","","1.054","","","","has coordinates","227840","2020-10-21","18:00:00",""
"7702047","12.2232","0.0013","15.5668","0.0016","20.211","0.002","90","","90","","90","","3845.7","0.7","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H49 Al N2 O3 -","- C45 H49 Al N2 O3 -","- C180 H196 Al4 N8 O12 -","4","1","","Kan, Chao; Ge, Jilei; Ma, Haiyan","Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization and catalysis for rac-lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6682","6695","10.1039/c5dt04633e","","","0.71073","MoKα","","0.1248","0.0614","","","0.1092","0.1319","","","","","","0.993","","","","has coordinates","233448","2020-10-21","18:00:00",""
"7702117","8.9085","0.0006","13.5333","0.001","20.8343","0.0016","90","","90","","90","","2511.8","0.3","100","2","100.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H33 B18 Co2 N -","- C16 H33 B18 Co2 N -","- C64 H132 B72 Co8 N4 -","4","1","","Thiripuranathar, Gobika; Chan, Antony P. Y.; Mandal, Dipendu; Man, Wing Y.; Argentari, Mario; Rosair, Georgina M.; Welch, Alan J.","Double deboronation and homometalation of 1,1'-bis(ortho-carborane).","Dalton transactions (Cambridge, England : 2003)","2017","46","6","1811","1821","10.1039/c6dt04457c","","","0.71073","MoKα","","0.0987","0.0571","","","0.0866","0.1007","","","","","","1.032","","","","has coordinates","234765","2020-10-21","18:00:00",""
"7702153","5.1818","0.0006","7.6909","0.0009","17.7166","0.0015","90","","90","","90","","706.05","0.13","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 N O6 P Zn -","- C3 H6 N O6 P Zn -","- C12 H24 N4 O24 P4 Zn4 -","4","1","","Vallejo, J.; Salcedo, I. R.; Colodrero, R. M. P.; Cabeza, A.; Switlicka, A.; Cano, J.; Viciano-Chumillas, M","Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine ligand: synthesis, crystal structures and magnetic and proton conductivity properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","47","16570","16579","10.1039/c7dt03474a","","","0.71073","MoKα","","0.0419","0.0335","","","0.0635","0.0666","","","","","","1.055","","","","has coordinates","235657","2020-10-21","18:00:00",""
"7702154","5.202","0.004","7.7413","0.0004","17.7009","0.0013","90","","90","","90","","712.8","0.6","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H6 Co N O6 P -","- C3 H6 Co N O6 P -","- C12 H24 Co4 N4 O24 P4 -","4","1","","Vallejo, J.; Salcedo, I. R.; Colodrero, R. M. P.; Cabeza, A.; Switlicka, A.; Cano, J.; Viciano-Chumillas, M","Zinc(ii), cobalt(ii) and manganese(ii) networks with phosphoserine ligand: synthesis, crystal structures and magnetic and proton conductivity properties.","Dalton transactions (Cambridge, England : 2003)","2017","46","47","16570","16579","10.1039/c7dt03474a","","","0.71073","MoKα","","0.0363","0.0296","","","0.0609","0.0637","","","","","","1.063","","","","has coordinates","235657","2020-10-21","18:00:00",""
"7702207","17.524","0.006","23.041","0.008","24.556","0.008","90","","90","","90","","9915","6","100.1","0.1","100.1","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C106 H147 Cl4 N6 Ni2 O7 -","- C106 H147 Cl4 N6 Ni2 O7 -","- C424 H588 Cl16 N24 Ni8 O28 -","4","1","","Dammann, Wiebke; Buban, Tabea; Schiller, Carl; Burger, Peter","Dinuclear tethered pyridine, diimine complexes.","Dalton transactions (Cambridge, England : 2003)","2018","47","35","12105","12117","10.1039/c8dt02347f","","","0.71073","MoKα","","0.1063","0.0593","","","0.1261","0.1444","","","","","","0.995","","","","has coordinates,has disorder","236848","2020-10-21","18:00:00",""
"7702223","11.301","0.002","13.968","0.003","20.344","0.003","90","","90","","90","","3211.3","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 O2 P2 Ru S4 -","- C32 H32 O2 P2 Ru S4 -","- C128 H128 O8 P8 Ru4 S16 -","4","1","","Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13926","13938","10.1039/c8dt02838a","","x-ray","0.71073","MoKα","","0.0685","0.0472","","","0.0708","0.0779","","","","","","0.98","","","","has coordinates","236852","2020-10-21","18:00:00",""
"7702230","11.1196","0.0006","14.0834","0.001","20.6451","0.0012","90","","90","","90","","3233.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O2 P2 Ru S4 -","- C32 H34 O2 P2 Ru S4 -","- C128 H136 O8 P8 Ru4 S16 -","4","1","","Zain Aldin, Mohammed; Maho, Anthony; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Synthesis, characterization, and catalytic evaluation of ruthenium-diphosphine complexes bearing xanthate ligands.","Dalton transactions (Cambridge, England : 2003)","2018","47","39","13926","13938","10.1039/c8dt02838a","","x-ray","0.71073","MoKα","","0.0573","0.0438","","","0.0687","0.0731","","","","","","0.996","","","","has coordinates","236852","2020-10-21","18:00:00",""
"7702245","9.4922","0.0002","20.0288","0.0004","28.8092","0.0006","90","","90","","90","","5477.1","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H53 Cl3 Dy N6 O8.5 -","- C55 H53 Cl3 Dy N6 O8.5 -","- C220 H212 Cl12 Dy4 N24 O34 -","4","1","","Yu, Shui; Chen, Zilu; Hu, Huancheng; Li, Bo; Liang, Yuning; Liu, Dongcheng; Zou, Huahong; Yao, Di; Liang, Fupei","Two mononuclear dysprosium(iii) complexes with their slow magnetic relaxation behaviors tuned by coordination geometry.","Dalton transactions (Cambridge, England : 2003)","2019","48","44","16679","16686","10.1039/c9dt03253c","","","0.71073","MoKα","","0.0642","0.0521","","","0.1191","0.1237","","","","","","1.077","","","","has coordinates,has disorder","237900","2020-10-21","18:00:00",""
"7702267","10.1885","0.0002","16.7541","0.0003","24.6831","0.0005","90","","90","","90","","4213.38","0.14","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H52 B20 N4 O7 S2 -","- C25 H52 B20 N4 O7 S2 -","- C100 H208 B80 N16 O28 S8 -","4","1","","Kellert, Martin; Hoppenz, Paul; Lönnecke, Peter; Worm, Dennis J.; Riedl, Bernd; Koebberling, Johannes; Beck-Sickinger, Annette G; Hey-Hawkins, Evamarie","Tuning a modular system - synthesis and characterisation of a boron-rich s-triazine-based carboxylic acid and amine bearing a galactopyranosyl moiety.","Dalton transactions (Cambridge, England : 2003)","2020","49","1","57","69","10.1039/c9dt04031e","","","0.71073","MoKα","","0.0904","0.05","","","0.0754","0.0861","","","","","","1.015","","","","has coordinates","247705","2020-10-21","18:00:00",""
"7702275","15.259","0.005","18.985","0.006","21.31","0.007","90","","90","","90","","6173","3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H49 Cd2 Co4 O60 Sb7 -","- C24 H12 Cd2 Co4 O60 Sb7 -","- C96 H48 Cd8 Co16 O240 Sb28 -","4","1","","Ma, Wen; Hu, Bing; Jing, Kaiqiang; Li, Zhong; Jin, Jiance; Zheng, Shoutian; Huang, Xiaoying","Proton-conducting layered structures based on transition metal oxo-clusters supported by Sb(iii) tartrate scaffolds.","Dalton transactions (Cambridge, England : 2003)","2020","49","12","3849","3855","10.1039/c9dt04333k","","","0.71073","MoKα","","0.0618","0.056","","","0.125","0.1288","","","","","","1.043","","","","has coordinates,has disorder","250322","2020-10-21","18:00:00",""
"7702329","4.0221","0.0005","10.9748","0.0012","17.809","0.002","90","","90","","90","","786.12","0.16","210","2","210","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 Ag N2 S -","- C6 H5 Ag N2 S -","- C24 H20 Ag4 N8 S4 -","4","1","","Krautscheid, Harald; Emig, Norbert; Klaassen, Nicole; Seringer, Petra","Thiocyanato complexes of the coinage metals: synthesis and crystal structures of the polymeric pyridine complexes [Ag xCuy(SCN)x + y(py)z]","Journal of the Chemical Society, Dalton Transactions","1998","","18","3071","","10.1039/a803468k","","","0.71069","MoKa","","0.0573","0.0322","","0.088","0.0713","","","","1.144","1.079","1.079","","","","","has coordinates","243827","2020-10-21","18:00:00",""
"7702340","12.406","0.016","16.065","0.009","21.851","0.008","90","","90","","90","","4355","6","295","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H57 Mo6 N O19 -","- C29 Mo6 N O19 -","- C116 Mo24 N4 O76 -","4","1","","Proust, Anna; Thouvenot, René; Herson, Patrick","Revisiting the synthesis of [Mo6(η5-C5Me5)O18]−. X-Ray structural analysis, UV-visible, electrochemical and multinuclear NMR characterization","Journal of the Chemical Society, Dalton Transactions","1999","","1","51","","10.1039/a805832f","","","0.71069","MoKα","","","0.0541","","","0.0599","","","","","3.4048","3.4048","","","","","has coordinates","255782","2020-10-21","18:00:00",""
"7702374","10.386","0.001","13.115","0.001","26.556","0.002","90","","90","","90","","3617.3","0.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 B I2 N4 O3 U -","- C28 H52 B I2 N4 O3 U -","- C112 H208 B4 I8 N16 O12 U4 -","4","1","","Maria, Leonor; Campello, Maria Paula; Domingos, Ângela; Santos, Isabel; Andersen, Richard","Synthesis and structure of uranium(III) complexes with dihydrobis(pyrazolyl)borates","Journal of the Chemical Society, Dalton Transactions","1999","","12","2015","","10.1039/a900744j","","","0.71073","MoKα","","0.1689","0.0724","","0.1997","0.1003","","","","1.067","1.128","1.128","","","","","has coordinates","243844","2020-10-21","18:00:00",""
"7702430","9.891","0.011","12.416","0.014","26.81","0.03","90","","90","","90","","3292","6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H37 Cl2 Cu N7 O8 -","- C31 H37 Cl2 Cu N7 O8 -","- C124 H148 Cl8 Cu4 N28 O32 -","4","1","","Costa, Judite; Delgado, Rita; Drew, Michael G. B.; Félix, Vitor","Methyl pyridine derivatives of 14-membered tetraaza macrocycles. A new host with high selectivity for cadmium †","Journal of the Chemical Society, Dalton Transactions","1999","","24","4331","","10.1039/a907512g","","","0.71073","MoKα","","0.1294","0.0933","","","0.2644","0.2986","","","","","","1.16","","","","has coordinates","243862","2020-10-21","18:00:00",""
"7702485","11.338","0.004","32.719","0.01","10.643","0.004","90","","90","","90","","3948","2","293","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H59 B Ni P2 -","- C42 H59 B Ni P2 -","- C168 H236 B4 Ni4 P8 -","4","1","","Tenorio, Manuel Jiménez; Puerta, M. Carmen; Salcedo, Isabel; Valerga, Pedro","Structural characterisation of cationic methylallyl, methylindenyl and pentamethylcyclopentadienyl nickel complexes containing the bulky phosphine 1,2-bis(diisopropylphosphino)ethane †","Journal of the Chemical Society, Dalton Transactions","2001","","5","653","","10.1039/b008441g","","","0.71069","MoKα","","0.1252","0.0932","","","0.2791","0.3099","","","","","","0.812","","","","has coordinates","243880","2020-10-21","18:00:00",""
"7702540","11.323","0.002","16.714","0.006","19.535","0.003","90","","90","","90","","3697","1.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H52 Li3 N3 Si3 -","- C37 H52 Li3 N3 Si3 -","- C148 H208 Li12 N12 Si12 -","4","1","","Renner, Patrick; Galka, Christian H.; Gade, Lutz H.; Radojevic, Sanja; McPartlin, Mary","Synthesis and structural characterization of a novel C3-chiral triamine and its trilithium triamide","Journal of the Chemical Society, Dalton Transactions","2001","","7","964","","10.1039/b100719j","","","0.71073","MoKα","","0.1112","0.0745","","","0.1817","0.2101","","","","","","1.098","","","","has coordinates,has disorder","243900","2020-10-21","18:00:00",""
"7702579","11.931","0.0006","14.305","0.0004","14.3949","0.0007","90","","90","","90","","2456.82","0.19","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 Cl6 N4 O Ta2 -","- C14 H22 Cl6 N4 O Ta2 -","- C56 H88 Cl24 N16 O4 Ta8 -","4","1","","Schweiger, Scott W.; Tillison, Dana L.; Thorn, Matt G.; Fanwick, Phillip E.; Rothwell, Ian P.","The isolation and chemistry of niobium and tantalum dimethylamides containing mono- and di-aryloxide ancillary ligands","Journal of the Chemical Society, Dalton Transactions","2001","","16","2401","","10.1039/b101723n","","","0.71073","MO-Kα","","","0.045","","","","0.107","","","","","","1.055","","","","has coordinates","243910","2020-10-21","18:00:00",""
"7702640","9.5519","0.0003","18.9971","0.0006","21.8244","0.0014","90","","90","","90","","3960.2","0.3","173","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 N2 O5 P2 Re -","- C44 H41 N2 O5 P2 Re -","- C176 H164 N8 O20 P8 Re4 -","4","1","","Kovacs, Michael S.; Hein, Peter; Sattarzadeh, Sherwin; Patrick, Brian O.; Emge, Thomas J.; Orvig, Chris","Complexes of phosphine–phenolate ligands with the [ReO]3+ and [Re(HNNC5H4N)(NNC5H4N)]2+ cores","Journal of the Chemical Society, Dalton Transactions","2001","","20","3015","","10.1039/b104274m","","","0.71069","MoKα","","0.0488","0.0319","","","0.0692","0.0777","","","","","","0.618","","","","has coordinates","243932","2020-10-21","18:00:00",""
"7702642","12.294","0.002","14.5","0.004","14.999","0.005","90","0.02","90","0.02","90","0.02","2673.8","1.2","153","5","153","5","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl N6 O P Re -","- C28 H23 Cl N6 O P Re -","- C112 H92 Cl4 N24 O4 P4 Re4 -","4","1","","Kovacs, Michael S.; Hein, Peter; Sattarzadeh, Sherwin; Patrick, Brian O.; Emge, Thomas J.; Orvig, Chris","Complexes of phosphine–phenolate ligands with the [ReO]3+ and [Re(HNNC5H4N)(NNC5H4N)]2+ cores","Journal of the Chemical Society, Dalton Transactions","2001","","20","3015","","10.1039/b104274m","","","1.54184","CuKα","","0.026","0.0257","","","0.0675","0.0676","","","","","","1.009","","","","has coordinates","243932","2020-10-21","18:00:00",""
"7702737","15.571","0.003","21.326","0.004","14.19","0.003","90","","90","","90","","4712","1.6","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","lambda-Bis(pentane-2,4-dionato)chromium(III)(mu-oxalato)bis(hydridotris- (pyradolyl)borato)holmium(III) Bis(dichloromethane) Solvate","","- C32 H38 B2 Cl4 Cr Ho N12 O8 -","- C32 H38 B2 Cl4 Cr Ho N12 O8 -","- C128 H152 B8 Cl16 Cr4 Ho4 N48 O32 -","4","1","","Subhan, Md. Abdus; Suzuki, Takayoshi; Kaizaki, Sumio","Solution NIR CD and MCD in 4f‒4f transitions of a series of chiral 3d‒4f dinuclear complexes: X-ray structures of (Λ-Δ)-[(acac)2CrIII(μ-ox)LnIII(HBpz3)2] (Ln = Sm, Ho and Er)","Journal of the Chemical Society, Dalton Transactions","2002","","7","1416","","10.1039/b108770c","","","0.71069","MoKα","","0.1757","0.0532","","","0.1417","0.1833","","","","","","0.973","","","","has coordinates","243993","2020-10-21","18:00:00",""
"7702738","15.552","0.003","21.287","0.004","14.191","0.003","90","","90","","90","","4698","1.6","296","2","296","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[(acac)~2~Cr(ox)Er(HBpz~3~)~2~].2CH~2~Cl~2~","lambda-Bis(pentane-2,4-dionato)chromium(III)(mu-oxalato)bis(hydridotris- (pyradolyl)borato)erbium(III) Bis(dichloromethane) Solvate","","- C32 H38 B2 Cl4 Cr Er N12 O8 -","- C32 H38 B2 Cl4 Cr Er N12 O8 -","- C128 H152 B8 Cl16 Cr4 Er4 N48 O32 -","4","1","","Subhan, Md. Abdus; Suzuki, Takayoshi; Kaizaki, Sumio","Solution NIR CD and MCD in 4f‒4f transitions of a series of chiral 3d‒4f dinuclear complexes: X-ray structures of (Λ-Δ)-[(acac)2CrIII(μ-ox)LnIII(HBpz3)2] (Ln = Sm, Ho and Er)","Journal of the Chemical Society, Dalton Transactions","2002","","7","1416","","10.1039/b108770c","","","0.71069","MoKα","","0.0957","0.046","","","0.1265","0.1446","","","","","","1.114","","","","has coordinates","243993","2020-10-21","18:00:00",""
"7702776","9.281","0.001","17.696","0.002","19.399","0.002","90","","90","","90","","3186","0.6","175","","175","","","","","","","","[[Y(N2NN')Cl]"" + LiN(SiMe3)2","5","P 21 21 21","P 2ac 2ab","19","","[Y{N(SiMe3)2}(N2NN')]","","- C22 H50 N5 Si4 Y -","- C22 H50 N5 Si4 Y -","- C88 H200 N20 Si16 Y4 -","4","1","","Skinner, Michael E. G.; Mountford, Philip","Scandium and yttrium complexes of the diamide–diamine donor ligand (2-C5H4N)CH2N(CH2CH2NSiMe3)2: chloride, primary and secondary amide, benzamidinate and alkyl functionalised derivatives","Journal of the Chemical Society, Dalton Transactions","2002","","8","1694","","10.1039/b111469g","","","0.71073","MoKα","","","0.0289","","","0.0332","","","","","1.1016","1.1016","","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7702779","12.131","0.001","13.069","0.001","17.548","0.001","90","","90","","90","","2782.1","0.4","175","","175","","","","","","","","[Sc(N2NN')Cl] + LiCH2SiMe3","5","P 21 21 21","P 2ac 2ab","19","","[Sc(CH2SiMe3)(N2NN')]","","- C20 H43 N4 Sc Si3 -","- C20 H43 N4 Sc Si3 -","- C80 H172 N16 Sc4 Si12 -","4","1","","Skinner, Michael E. G.; Mountford, Philip","Scandium and yttrium complexes of the diamide–diamine donor ligand (2-C5H4N)CH2N(CH2CH2NSiMe3)2: chloride, primary and secondary amide, benzamidinate and alkyl functionalised derivatives","Journal of the Chemical Society, Dalton Transactions","2002","","8","1694","","10.1039/b111469g","","","0.71069","","","","0.0299","","","0.0372","","","","","1.0841","1.0841","","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7702813","7.7059","0.0017","11.2951","0.0018","18.111","0.006","90","","90","","90","","1576.4","0.7","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O Sn -","- C15 H23 N O Sn -","- C60 H92 N4 O4 Sn4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Synthesis and structure of [2-{4(S)-isopropyl-2-oxazolinyl}phenyl]trimethyl tin and its reactivity as a carbometallating agent","Journal of the Chemical Society, Dalton Transactions","2002","","16","3260","","10.1039/b202405e","","","0.71073","MoKα","","0.0642","0.0536","","","0.1304","0.1382","","","","","","1.038","","","","has coordinates","244024","2020-10-21","18:00:00",""
"7702814","7.57","0.002","13.984","0.005","14.563","0.006","90","","90","","90","","1541.6","0.9","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Cl N O Sn -","- C14 H20 Cl N O Sn -","- C56 H80 Cl4 N4 O4 Sn4 -","4","1","","Davenport, Adam J.; Davies, David L.; Fawcett, John; Russell, David R.","Synthesis and structure of [2-{4(S)-isopropyl-2-oxazolinyl}phenyl]trimethyl tin and its reactivity as a carbometallating agent","Journal of the Chemical Society, Dalton Transactions","2002","","16","3260","","10.1039/b202405e","","","0.71073","MoKα","","0.0433","0.0357","","","0.0804","0.0848","","","","","","1.031","","","","has coordinates","244024","2020-10-21","18:00:00",""
"7702824","10.552","0.002","12.359","0.003","32.25","0.007","90","","90","","90","","4205.8","1.6","150","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H50 Ir O P3 -","- C48 H50 Ir O P3 -","- C192 H200 Ir4 O4 P12 -","4","1","","Brym, Markus; Jones, Cameron; Richards, Anne F.","Synthesis, characterisation and reactivity of a novel iridaphosphirene complex, [Ir{C(But)P(Cy)}(CO)(PPh3)2], Cy = cyclohexyl","Journal of the Chemical Society, Dalton Transactions","2002","","14","2800","","10.1039/b204127h","","","0.71073","MoKα","","0.0757","0.065","","","0.1401","0.1441","","","","","","1.076","","","","has coordinates","244031","2020-10-21","18:00:00",""
"7702841","7.962","0.002","15.473","0.003","17.228","0.003","90","","90","","90","","2122.4","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H33 Br Mn O2 P3 -","- C17 H27 Br Mn O2 P3 -","- C68 H108 Br4 Mn4 O8 P12 -","4","1","","Baker, Robert J.; Edwards, Peter G.; Gracia-Mora, Jes??s; Ingold, Florent; Abdul Malik, K. M.","Manganese and rhenium triphosphorus macrocycle complexes and reactions with alkenes","Journal of the Chemical Society, Dalton Transactions","2002","","21","3985","","10.1039/b205754a","","","0.71073","MoKα","","0.043","0.036","","","0.0831","0.0841","","","","","","1.006","","","","has coordinates,has disorder","244042","2020-10-21","18:00:00",""
"7702872","21.0185","0.0004","21.366","0.0004","19.4924","0.0003","90","","90","","90","","8753.7","0.3","296.2","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C64 H90 F9 N15 O24.5 Rh3 S3 -","- C64 H57 F9 N15 O24.5 Rh3 S3 -","- C256 H228 F36 N60 O98 Rh12 S12 -","4","1","","Yamanari, Kazuaki; Ito, Rie; Yamamoto, Shiori; Konno, Takumi; Fuyuhiro, Akira; Kobayashi, Mako; Arakawa, Ryuichi","Diastereomeric separations and crystal structures of rhodium(iii) and iridium(iii) complexes containing adenosine and related nucleosidesElectronic supplementary information (ESI) available: 1H NMR and CD spectra. See http://www.rsc.org/suppdata/dt/b2/b209148h/","Dalton Transactions","2003","","3","380","","10.1039/b209148h","","","0.7107","MoKα","","","0.0441","","","","0.1373","","","","","","0.652","","","","has coordinates","244060","2020-10-21","18:00:00",""
"7702874","9.405","0.0004","11.7467","0.0005","11.9594","0.0005","90","","90","","90","","1321.25","0.1","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Molybdenum(VI) oxide 2:1 complex with 1,3-bis(1,2,4-triazol-4- yl)propane","Molybdenum(VI) oxide 2:1 complex with 1,3-bis(1,2,4-triazol-4-yl)propane","","- C7 H10 Mo2 N6 O6 -","- C7 H10 Mo2 N6 O6 -","- C28 H40 Mo8 N24 O24 -","4","1","","Lysenko, Andrey B.; Senchyk, Ganna A.; Lincke, Jörg; Lässig, Daniel; Fokin, Andrey A.; Butova, Ekaterina D.; Schreiner, Peter R.; Krautscheid, Harald; Domasevitch, Konstantin V.","Metal oxide-organic frameworks (MOOFs), a new series of coordination hybrids constructed from molybdenum(VI) oxide and bitopic 1,2,4-triazole linkers.","Dalton transactions (Cambridge, England : 2003)","2010","39","17","4223","4231","10.1039/b922732f","","","0.71073","MoKα","","0.0351","0.0293","","","0.0527","0.0541","","","","","","1.088","","","","has coordinates","244083","2020-10-21","18:00:00",""
"7703005","7.998","0.0002","13.8621","0.0003","17.8754","0.0004","90","","90","","90","","1981.83","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O3 S2 -","- C21 H26 O3 S2 -","- C84 H104 O12 S8 -","4","1","","Kim, Seulgi; Park, In-Hyeok; Choi, Han-Byeol; Ju, Huiyeong; Lee, Eunji; Herng, Tun Seng; Ding, Jun; Jung, Jong Hwa; Lee, Shim Sung","Formation of a four-bladed waterwheel-type chloro-bridged dicopper(ii) complex with dithiamacrocycle via double exo-coordination.","Dalton transactions (Cambridge, England : 2003)","2020","49","5","1365","1369","10.1039/c9dt04372a","","","0.71073","MoKα","","0.0357","0.0306","","","0.0621","0.0642","","","","","","1.033","","","","has coordinates","248938","2020-10-21","18:00:00",""
"7703032","6.825","0.0002","8.4104","0.0003","22.4903","0.0008","90","","90","","90","","1290.97","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 Cl3 N Te -","- C11 H8 Cl3 N Te -","- C44 H32 Cl12 N4 Te4 -","4","1","","Deka, Rajesh; Sarkar, Arup; Butcher, Ray J.; Junk, Peter C.; Turner, David R.; Deacon, Glen B.; Singh, Harkesh B.","Isolation of the novel example of a monomeric organotellurinic acid.","Dalton transactions (Cambridge, England : 2003)","2020","49","4","1173","1180","10.1039/c9dt04013g","","","0.71073","MoKα","","0.0403","0.0354","","","0.0653","0.0683","","","","","","1.027","","","","has coordinates","247722","2020-10-21","18:00:00",""
"7703196","8.9949","0.0003","13.4322","0.0003","22.2195","0.0005","90","","90","","90","","2684.59","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0184","0.018","","","0.0414","0.0415","","","","","","1.061","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703197","9.2119","0.0003","13.8148","0.0004","21.0387","0.0007","90","","90","","90","","2677.4","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0468","0.0392","","","0.0801","0.0842","","","","","","1.073","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703198","9.1501","0.0002","13.7683","0.0003","21.2469","0.0006","90","","90","","90","","2676.71","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0332","0.0311","","","0.0657","0.0666","","","","","","1.127","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703199","9.1016","0.0002","13.721","0.0002","21.3715","0.0005","90","","90","","90","","2668.94","0.09","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0226","0.0219","","","0.0486","0.0488","","","","","","1.099","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703200","9.0828","0.0003","13.5665","0.0006","21.9449","0.0007","90","","90","","90","","2704.09","0.17","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0496","0.0425","","","0.0904","0.0944","","","","","","1.088","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703201","9.0371","0.0002","13.4875","0.0003","22.1334","0.0006","90","","90","","90","","2697.79","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0336","0.0293","","","0.0577","0.0597","","","","","","1.117","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703202","9.1982","0.0003","13.8073","0.0004","21.0754","0.0007","90","","90","","90","","2676.62","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0394","0.034","","","0.074","0.0768","","","","","","1.066","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703203","9.1902","0.0003","13.7947","0.0004","21.1368","0.0006","90","","90","","90","","2679.64","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0342","0.0312","","","0.0654","0.0669","","","","","","1.085","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703204","9.0217","0.0003","13.4571","0.0004","22.167","0.0007","90","","90","","90","","2691.21","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0368","0.0326","","","0.0647","0.0663","","","","","","1.083","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703205","9.1085","0.0002","13.6961","0.0004","22.0657","0.0006","90","","90","","90","","2752.72","0.13","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0244","0.0214","","","0.0473","0.0485","","","","","","1.075","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703206","9.0023","0.0003","13.4423","0.0004","22.2172","0.0006","90","","90","","90","","2688.54","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0415","0.0317","","","0.0614","0.0664","","","","","","1.1","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703207","9.0125","0.0002","13.4564","0.0004","22.2004","0.0006","90","","90","","90","","2692.37","0.12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0309","0.0269","","","0.0571","0.0591","","","","","","1.085","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703208","9.1411","0.0002","13.7205","0.0004","22.0086","0.0007","90","","90","","90","","2760.33","0.13","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0366","0.0333","","","0.0733","0.0745","","","","","","1.176","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703209","9.1896","0.0002","13.771","0.0005","21.9398","0.0007","90","","90","","90","","2776.48","0.15","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0343","0.0291","","","0.0614","0.0635","","","","","","1.065","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703210","9.1362","0.0003","13.7345","0.0005","22.0425","0.0006","90","","90","","90","","2765.92","0.16","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0335","0.0292","","","0.0686","0.0707","","","","","","1.052","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703211","9.1909","0.0002","13.7781","0.0005","21.9247","0.0008","90","","90","","90","","2776.39","0.16","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0344","0.029","","","0.0635","0.0659","","","","","","1.049","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703212","8.9898","0.0003","13.4342","0.0004","22.225","0.0007","90","","90","","90","","2684.13","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0371","0.0359","","","0.0872","0.0876","","","","","","1.163","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703213","9.1889","0.0002","13.7799","0.0005","21.9332","0.0008","90","","90","","90","","2777.23","0.16","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0353","0.0295","","","0.0634","0.0658","","","","","","1.063","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703214","9.1109","0.0003","13.6934","0.0004","22.0688","0.0008","90","","90","","90","","2753.29","0.16","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0325","0.0282","","","0.068","0.07","","","","","","1.078","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703215","9.104","0.0003","13.6965","0.0005","22.0624","0.0008","90","","90","","90","","2751.03","0.17","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0265","0.0233","","","0.0518","0.0529","","","","","","1.032","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703216","9.1076","0.0004","13.7017","0.0005","22.0801","0.0008","90","","90","","90","","2755.37","0.19","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0285","0.0247","","","0.0563","0.0579","","","","","","1.04","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703217","9.1739","0.0003","13.7586","0.0005","21.956","0.0008","90","","90","","90","","2771.29","0.17","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0371","0.0317","","","0.0732","0.0758","","","","","","1.047","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703218","9.1319","0.0004","13.7198","0.0007","22.0525","0.0014","90","","90","","90","","2762.9","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0435","0.0372","","","0.0811","0.0835","","","","","","1.072","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703219","9.107","0.0003","13.7339","0.0004","21.3545","0.0006","90","","90","","90","","2670.91","0.14","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0334","0.0309","","","0.0715","0.0727","","","","","","1.049","","","","has coordinates","248953","2020-10-21","18:00:00",""
"7703220","9.1279","0.0004","13.7226","0.0006","22.0317","0.001","90","","90","","90","","2759.7","0.2","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0438","0.0383","","","0.0997","0.1024","","","","","","1.039","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703221","9.1186","0.0002","13.7072","0.0004","22.0615","0.0007","90","","90","","90","","2757.48","0.13","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 O4 Rh2 S2 -","- C26 H42 O4 Rh2 S2 -","- C104 H168 O16 Rh8 S8 -","4","1","","Nakai, Hidetaka; Miyata, Seiya; Kajiwara, Yuu; Ozawa, Yoshiki; Abe, Masaaki","A non-linear phenomenon observed in the photochromic crystals of a rhodium dithionite complex with n-propyl moieties.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","1721","1725","10.1039/c9dt04760c","","","0.71075","MoKα","","0.0361","0.0319","","","0.0782","0.0804","","","","","","1.069","","","","has coordinates,has disorder","248953","2020-10-21","18:00:00",""
"7703239","9.2217","0.0002","18.6267","0.0005","24.4822","0.0006","90","","90","","90","","4205.3","0.18","123.01","0.1","123.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C43 H60 N4 S4 -","- C43 H60 N4 S4 -","- C172 H240 N16 S16 -","4","1","","Desat, Marcella E.; Kretschmer, Robert","Facile oxidative addition of O<sub>2</sub> and S<sub>8</sub> by an indium bis(carbene) analogue.","Dalton transactions (Cambridge, England : 2003)","2019","48","48","17718","17722","10.1039/c9dt04481g","","x-ray","1.54184","CuKα","","0.0389","0.0348","","","0.086","0.0884","","","","","","1.048","","","","has coordinates,has disorder","246605","2020-10-21","18:00:00",""
"7703300","11.2439","0.0007","13.6597","0.0008","16.447","0.0012","90","","90","","90","","2526.1","0.3","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cd N8 O8 -","- C20 H30 Cd N8 O8 -","- C80 H120 Cd4 N32 O32 -","4","1","","Lugo-González, José Carlos; Gómez-Tagle, Paola; Flores-Alamo, Marcos; Yatsimirsky, Anatoly K.","Mechanistic study of carboxylic acid and phosphate ester cleavage by oximate metal complexes surpassing the limiting reactivity of highly basic free oximate anions.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2452","2467","10.1039/c9dt04733f","","","0.71073","MoKα","","0.0358","0.0313","","","0.0615","0.0646","","","","","","1.028","","","","has coordinates","248916","2020-10-21","18:00:00",""
"7703359","7.1309","0.0004","13.7333","0.0008","21.9704","0.001","90","","90","","90","","2151.6","0.2","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Au F5 N Si -","- C21 H23 Au F5 N Si -","- C84 H92 Au4 F20 N4 Si4 -","4","1","","Seki, Tomohiro; Toyoshima, Naoki; Ito, Hajime","Mixed crystal formation of two gold isocyanide complexes with various ratios for continuous tuning of photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2073","2076","10.1039/d0dt00195c","","x-ray","0.71073","MoKα","","0.0297","0.0268","","","0.0575","0.0581","","","","","","1.008","","","","has coordinates","248962","2020-10-21","18:00:00",""
"7703360","7.151","0.0003","13.6446","0.0007","21.9432","0.0009","90","","90","","90","","2141.05","0.17","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H46 Au2 F9 N3 Si2 -","- C41 H46 Au2 F9 N3 Si2 -","- C82 H92 Au4 F18 N6 Si4 -","2","0.5","","Seki, Tomohiro; Toyoshima, Naoki; Ito, Hajime","Mixed crystal formation of two gold isocyanide complexes with various ratios for continuous tuning of photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2073","2076","10.1039/d0dt00195c","","x-ray","0.71073","MoKα","","0.0274","0.0247","","","0.0529","0.0535","","","","","","1.049","","","","has coordinates,has disorder","248962","2020-10-21","18:00:00",""
"7703361","7.2041","0.0001","13.5498","0.0002","21.864","0.0003","90","","90","","90","","2134.23","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Au F4 N2 Si -","- C20 H23 Au F4 N2 Si -","- C80 H92 Au4 F16 N8 Si4 -","4","1","","Seki, Tomohiro; Toyoshima, Naoki; Ito, Hajime","Mixed crystal formation of two gold isocyanide complexes with various ratios for continuous tuning of photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2073","2076","10.1039/d0dt00195c","","x-ray","1.54184","CuKα","","0.0345","0.034","","","0.085","0.0855","","","","","","1.065","","","","has coordinates","248962","2020-10-21","18:00:00",""
"7703408","11.3854","0.0003","12.8121","0.0003","21.3362","0.0005","90","","90","","90","","3112.33","0.13","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H52 Si2 Ti -","- C33 H52 Si2 Ti -","- C132 H208 Si8 Ti4 -","4","1","","Fischer, Malte; Vincent-Heldt, Lisa; Hillje, Malena; Schmidtmann, Marc; Beckhaus, Ruediger","Synthesis of a titanium ethylene complex via C-H-activation and alternative access to Cp<sub>2</sub>Ti(η<sup>2</sup>-Me<sub>3</sub>SiC<sub>2</sub>SiMe<sub>3</sub>).","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2068","2072","10.1039/d0dt00237b","","","0.71073","MoKα","","0.0205","0.0193","","","0.0542","0.055","","","","","","1.064","","","","has coordinates","248959","2020-10-21","18:00:00",""
"7703463","12.311","0.0008","16.4794","0.0007","21.9452","0.001","90","","90","","90","","4452.2","0.4","180.15","","180.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H62 Fe N2 P2 Si4 -","- C39 H62 Fe N2 P2 Si4 -","- C156 H248 Fe4 N8 P8 Si16 -","4","1","","Kneusels, Nis-Julian H; Münzer, Jörn E; Flosdorf, Kimon; Jiang, Dandan; Neumüller, Bernhard; Zhao, Lili; Eichhöfer, Andreas; Frenking, Gernot; Kuzu, Istemi","Double donation in trigonal planar iron-carbodiphosphorane complexes - a concise study on their spectroscopic and electronic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","8","2537","2546","10.1039/c9dt04725e","","x-ray","0.71073","MoKα","","0.0339","0.0268","","","0.0535","0.0549","","","","","","0.921","","","","has coordinates","248922","2020-10-21","18:00:00",""
"7703490","10.93786","0.00005","13.59304","0.00006","20.9333","0.00011","90","","90","","90","","3112.34","0.03","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 O P2 Rh -","- C31 H53 O P2 Rh -","- C124 H212 O4 P8 Rh4 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0194","0.0189","","","0.0484","0.0486","","","","","","1.074","","","","has coordinates","248964","2020-10-21","18:00:00",""
"7703491","11.62738","0.00006","11.80036","0.00005","24.50061","0.00012","90","","90","","90","","3361.66","0.03","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 Cl2 O P2 Rh -","- C31 H53 Cl2 O P2 Rh -","- C124 H212 Cl8 O4 P8 Rh4 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","1.54184","CuKα","","0.0181","0.017","","","0.0404","0.0408","","","","","","1.053","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703494","10.91013","0.00011","13.58277","0.00017","20.9292","0.0002","90","","90","","90","","3101.49","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 Ir O P2 -","- C31 H53 Ir O P2 -","- C124 H212 Ir4 O4 P8 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","0.71073","MoKα","","0.0166","0.0154","","","0.0338","0.0343","","","","","","1.07","","","","has coordinates","248964","2020-10-21","18:00:00",""
"7703496","11.6548","0.0002","11.78332","0.00018","24.5327","0.0004","90","","90","","90","","3369.13","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 Cl2 Ir O P2 -","- C31 H53 Cl2 Ir O P2 -","- C124 H212 Cl8 Ir4 O4 P8 -","4","1","","Leforestier, Baptiste; Gyton, Matthew R.; Chaplin, Adrian B.","Synthesis and group 9 complexes of macrocyclic PCP and POCOP pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","7","2087","2101","10.1039/c9dt04835a","","x-ray","0.71073","MoKα","","0.02","0.018","","","0.0377","0.0384","","","","","","1.058","","","","has coordinates,has disorder","248964","2020-10-21","18:00:00",""
"7703499","9.105","0.005","11.571","0.005","27.397","0.005","90","0.005","90","0.005","90","0.005","2886","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 F6 N O6 -","- C31 H25 F6 N O6 -","- C124 H100 F24 N4 O24 -","4","1","","Han, Guoying; Zhou, Yanyan; Yao, Yuan; Cheng, Zhenyu; Gao, Ting; Li, Hongfeng; Yan, Pengfei","Preorganized helical chirality controlled homochiral self-assembly and circularly polarized luminescence of a quadruple-stranded Eu<sub>2</sub>L<sub>4</sub> helicate.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3312","3320","10.1039/d0dt00062k","","","0.71069","MoKα","","0.0987","0.0608","","","0.1594","0.1962","","","","","","1.049","","","","has coordinates","250284","2020-10-21","18:00:00",""
"7703500","9.103","0.005","11.578","0.005","27.425","0.005","90","0.005","90","0.005","90","0.005","2890","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 F6 N O6 -","- C31 H25 F6 N O6 -","- C124 H100 F24 N4 O24 -","4","1","","Han, Guoying; Zhou, Yanyan; Yao, Yuan; Cheng, Zhenyu; Gao, Ting; Li, Hongfeng; Yan, Pengfei","Preorganized helical chirality controlled homochiral self-assembly and circularly polarized luminescence of a quadruple-stranded Eu<sub>2</sub>L<sub>4</sub> helicate.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3312","3320","10.1039/d0dt00062k","","","0.71069","MoKα","","0.1087","0.06","","","0.1513","0.1888","","","","","","1.022","","","","has coordinates","250284","2020-10-21","18:00:00",""
"7703510","6.2509","0.0008","7.0944","0.0009","20.747","0.003","90","","90","","90","","920.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Gd H6 N O11 Se2 -","- Gd H6 N O11 Se2 -","- Gd4 H24 N4 O44 Se8 -","4","1","","Wu, Chao; Li, Longhua; Lin, Lin; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","Gd(NO<sub>3</sub>)(Se<sub>2</sub>O<sub>5</sub>)·3H<sub>2</sub>O: a nitrate-selenite nonlinear optical material with a short ultraviolet cutoff edge.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3253","3259","10.1039/d0dt00116c","","","0.71073","MoKα","","0.0484","0.0403","","","0.0815","0.0842","","","","","","1.11","","","","has coordinates","250276","2020-10-21","18:00:00",""
"7703519","17.065","0.011","17.488","0.011","20.605","0.012","90","","90","","90","","6149","7","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H27 Cl3 N2 O4 Pd2 -","- C33 H27 Cl3 N2 O4 Pd2 -","- C264 H216 Cl24 N16 O32 Pd16 -","8","2","","Yamamoto, Koji; Higuchi, Kazuki; Kuwata, Shigeki; Hayashi, Yoshihiro; Kawauchi, Susumu; Takata, Toshikazu","Open clamshell dinuclear palladium(ii) complexes possessing out-of-plane anisotropy.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2781","2785","10.1039/d0dt00323a","","","0.71075","MoKα","","0.0584","0.0526","","","0.1326","0.1372","","","","","","1.036","","","","has coordinates","248981","2020-10-21","18:00:00",""
"7703564","12.205","0.003","19.4474","0.0018","20.653","0.006","90","","90","","90","","4902.1","1.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H71 Ge N2 Na O6 -","- C48 H71 Ge N2 Na O6 -","- C192 H284 Ge4 N8 Na4 O24 -","4","1","","Lukina, Daria A.; Skatova, Alexandra A.; Lukoyanov, Anton N.; Kozlova, Ekaterina A.; Fedushkin, Igor L.","Alkali metal reduction of 1,3,2-diazaborol and 1,3,2-diazagermol derivatives based on 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene.","Dalton transactions (Cambridge, England : 2003)","2020","49","9","2941","2946","10.1039/c9dt04652f","","","0.71073","MoKα","","0.0733","0.0478","","","0.0906","0.0995","","","","","","1.011","","","","has coordinates,has disorder","248982","2020-10-21","18:00:00",""
"7703598","5.8878","0.0002","8.7611","0.0003","20.3085","0.0006","90","","90","","90","","1047.59","0.06","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N Se -","- C13 H9 N Se -","- C52 H36 N4 Se4 -","4","1","","Petrenko, Alla; Leitonas, Karolis; Volyniuk, Dmytro; Baryshnikov, Gleb V.; Belyakov, Sergey; Minaev, Boris F.; Ågren, Hans; Durgaryan, Hranush; GraŽulevičius, Juozas Vidas; Arsenyan, Pavel","Benzoselenophenylpyridine platinum complexes: green versus red phosphorescence towards hybrid OLEDs.","Dalton transactions (Cambridge, England : 2003)","2020","49","11","3393","3397","10.1039/d0dt00214c","","","0.71073","MoKα","","0.0324","0.0287","","","0.0634","0.0658","","","","","","1.059","","","","has coordinates","250304","2020-10-21","18:00:00",""
"7703615","10.9799","0.0005","14.7027","0.0005","35.1126","0.0009","90","","90","","90","","5668.4","0.4","170","2","170","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C212 H136 F48 Fe4 O28 P8 Ru12 S4 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.0835","0.0518","","","0.0753","0.0856","","","","","","1.007","","","","has coordinates","251648","2020-10-21","18:00:00",""
"7703616","11.9655","0.0004","20.1151","0.0005","49.045","0.003","90","","90","","90","","11804.5","0.9","170","2","170","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C53 H34 F12 Fe O7 P2 Ru3 S -","- C424 H272 F96 Fe8 O56 P16 Ru24 S8 -","8","2","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.1523","0.1029","","","0.1685","0.1984","","","","","","1.073","","","","has coordinates","251648","2020-10-21","18:00:00",""
"7703617","12.11044","0.00017","20.7626","0.0004","21.0868","0.0004","90","","90","","90","","5302.15","0.16","170","2","170","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C101 H83 Fe2 O14 P4 Ru6 S2 -","- C101 H83 Fe2 O14 P4 Ru6 S2 -","- C202 H166 Fe4 O28 P8 Ru12 S4 -","2","0.5","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","","","0.0704","0.0503","","","0.1054","0.1184","","","","","","1.045","","","","has coordinates,has disorder","251648","2020-10-21","18:00:00",""
"7703618","10.4751","0.0002","17.546","0.0004","30.9412","0.0008","90","","90","","90","","5686.9","0.2","170","2","170","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H50 Fe O7 P2 Ru3 S -","- C49 H50 Fe O7 P2 Ru3 S -","- C196 H200 Fe4 O28 P8 Ru12 S4 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","","0.71073","MoKα","","0.0416","0.0322","","","0.0629","0.0666","","","","","","1.008","","","","has coordinates","251648","2020-10-21","18:00:00",""
"7703621","17.9576","0.0009","59.4487","0.0011","10.978","0.005","90","","90","","90","","11720","5","293","","293","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C106 H68 F24 Fe2 O14 P4 Ru6 S2 -","- C106 H68 F24 Fe2 O14 P4 Ru6 S2 -","- C424 H272 F96 Fe8 O56 P16 Ru24 S8 -","4","1","","Abdel-Magied, Ahmed F; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa; Raha, Arun K.; Haukka, Matti; Richmond, Michael G.; Nordlander, Ebbe","Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters - diastereomeric control of enantioselectivity.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4244","4256","10.1039/c9dt04799a","","x-ray","0.71073","MoKα","","0.0762","0.0675","","","0.1872","0.1922","","","","2","2","1.94","","","","has coordinates","288072","2023-12-06","13:08:12",""
"7703675","10.6476","0.0004","13.3042","0.0006","22.2103","0.0009","90","","90","","90","","3146.3","0.2","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H43 Al3 Lu N O -","- C29 H43 Al3 Lu N O -","- C116 H172 Al12 Lu4 N4 O4 -","4","1","","Diether, Dominic; Meermann-Zimmermann, Melanie; Törnroos, Karl W; Maichle-Mössmer, Cäcilia; Anwander, Reiner","Rare-earth metal-promoted (double) C-H-bond activation of a lutidinyl-functionalized alkoxy ligand: formation of [ONC] pincer-type ligands and implications for isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","6","2004","2013","10.1039/c9dt04742e","","","0.71073","MoKα","","0.0123","0.0121","","","0.0321","0.0322","","","","","","1.042","","","","has coordinates,has disorder","248774","2020-10-21","18:00:00",""
"7703699","11.0144","0.0016","11.8183","0.0017","13.2158","0.0019","90","","90","","90","","1720.3","0.4","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 Cl2 Ir N2 O2 -","- C14 H23 Cl2 Ir N2 O2 -","- C56 H92 Cl8 Ir4 N8 O8 -","4","1","","Han, Seong Ho; Agbenyeke, Raphael Edem; Lee, Ga Yeon; Park, Bo Keun; Kim, Chang Gyoun; Lee, Young Kuk; Son, Seung Uk; Chung, Taek-Mo","Synthesis and characterization of novel zinc precursors for ZnO thin film deposition by atomic layer deposition.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4306","4314","10.1039/c9dt04644e","","","0.71075","MoKα","","0.0353","0.0348","","","0.0865","0.0868","","","","","","1.074","","","","has coordinates","251642","2020-10-21","18:00:00",""
"7703822","14.8107","0.0003","16.8676","0.0004","15.5365","0.0003","90","","90","","90","","3881.34","0.14","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[FeCl{(R,R)-Me-DuPhos}2](BF4)","","","- C36 H56 B Cl F4 Fe P4 -","- C36 H56 B Cl F4 Fe P4 -","- C144 H224 B4 Cl4 F16 Fe4 P16 -","4","1","","Estevan, Francisco; Feliz, Marta","Configurational landscape of chiral iron(ii) bis(phosphane) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4528","4538","10.1039/c9dt04821a","","x-ray","0.71073","MoKα","","0.0464","0.0425","","","0.1096","0.1142","","","","","","1.057","","","","has coordinates,has disorder","251638","2020-10-21","18:00:00",""
"7703824","11.23747","0.00014","20.9195","0.0003","33.7258","0.0004","90","","90","","90","","7928.34","0.18","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","delta-[FeI{(S,S)-Me-DuPhos}2](ClO4)","","","- C36 H56 Cl Fe I O4 P4 -","- C36 H56 Cl Fe I O4 P4 -","- C288 H448 Cl8 Fe8 I8 O32 P32 -","8","2","","Estevan, Francisco; Feliz, Marta","Configurational landscape of chiral iron(ii) bis(phosphane) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","14","4528","4538","10.1039/c9dt04821a","","x-ray","0.71073","MoKα","","0.0509","0.0397","","","0.1011","0.1098","","","","","","1.06","","","","has coordinates,has disorder","251638","2020-10-21","18:00:00",""
"7703893","13.5767","0.0005","20.2026","0.0007","35.6666","0.0011","90","","90","","90","","9782.8","0.6","180","","180.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[Tl(N3Dipp2)]2","","- C48 H68 N6 Tl2 -","- C48 H68 N6 Tl2 -","- C384 H544 N48 Tl16 -","8","2","","Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.","Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5653","5661","10.1039/d0dt00285b","","","0.71073","MoKα","","0.0671","0.0379","","","0.0554","0.0615","","","","","","1.023","","","","has coordinates","252762","2020-10-21","18:00:00",""
"7703906","7.4569","0.0009","10.591","0.002","26.251","0.004","90","","90","","90","","2073.2","0.6","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 Cl2 O2 P2 Pt -","- C17 H26 Cl2 O2 P2 Pt -","- C68 H104 Cl8 O8 P8 Pt4 -","4","1","","Pearce, Kyle G.; Simenok, Vladimir; Crossley, Ian R.","Phosphacycloalkyldiones: synthesis and coordinative behaviour of 6- and 7-member cyclic diketophosphanyls.","Dalton transactions (Cambridge, England : 2003)","2020","49","17","5482","5492","10.1039/d0dt00864h","","x-ray","1.54184","CuKα","","0.1763","0.1055","","","0.2316","0.3003","","","","","","1.01","","","","has coordinates","252766","2020-10-21","18:00:00",""
"7703953","9.636","0.0003","13.9208","0.0004","15.4915","0.0005","90","","90","","90","","2078.04","0.11","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl2 Mn N3 O1.5 -","- C19 H19 Cl2 Mn N3 O1.5 -","- C76 H76 Cl8 Mn4 N12 O6 -","4","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.0285","0.0242","","","0.0544","0.0564","","","","","","1.038","","","","has coordinates","250132","2020-10-21","18:00:00",""
"7703957","9.5758","0.0002","13.8028","0.0003","15.2197","0.0002","90","","90","","90","","2011.63","0.07","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl2 Co N3 O1.5 -","- C19 H19 Cl2 Co N3 O1.5 -","- C76 H76 Cl8 Co4 N12 O6 -","4","1","","Anjana, S. S.; Varghese, B.; Murthy, Narasimha N.","Coligand modulated oxidative O-demethylation of a methyl ether appended tetradentate N-ligand in Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","10","3187","3197","10.1039/c9dt04609g","","","0.71073","MoKα","","0.023","0.0207","","","0.0514","0.0523","","","","","","1.039","","","","has coordinates","250132","2020-10-21","18:00:00",""
"7703962","13.686","0.002","25.029","0.004","25.781","0.005","90","","90","","90","","8831","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H110 N6 O30 Ti9 -","- C62 H109 N6 O30 Ti9 -","- C248 H436 N24 O120 Ti36 -","4","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","","0.71073","MoKα","","0.0637","0.0618","","","0.1646","0.1669","","","","","","1.045","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703963","13.6676","0.0002","25.0164","0.0004","25.7877","0.0003","90","","90","","90","","8817.2","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H110 N6 O30 Ti9 -","- C62 H110 N6 O30 Ti9 -","- C248 H440 N24 O120 Ti36 -","4","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","","0.71073","MoKα","","0.0561","0.0486","","","0.1283","0.1333","","","","","","1.029","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7703964","13.4809","0.0005","24.6175","0.0006","25.6441","0.0007","90","","90","","90","","8510.4","0.4","100","0.3","100","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H110 N6 O30 Ti9 -","- C62 H110 N6 O30 Ti9 -","- C248 H440 N24 O120 Ti36 -","4","1","","Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Jian; Zhang, Lei","Synergistic ligand effect for the construction of titanium-oxo clusters with planar chirality and high solution stability.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","4030","4033","10.1039/d0dt00197j","","x-ray","1.54184","CuKα","","0.0651","0.0523","","","0.1251","0.137","","","","","","1.072","","","","has coordinates","250135","2020-10-21","18:00:00",""
"7704008","9.968","0.0005","13.4495","0.0006","21.0791","0.001","90","","90","","90","","2826","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 Al F36 Li O4.02 -","- C16 Al F36 Li O4.0202 -","- C64 Al4 F144 Li4 O16.0808 -","4","1","","Malinowski, Przemysław J; Jaroń, Tomasz; Domańska, Małgorzata; Slattery, John M.; Schmitt, Manuel; Krossing, Ingo","Building blocks for the chemistry of perfluorinated alkoxyaluminates [Al{OC(CF<sub>3</sub>)<sub>3</sub>}<sub>4</sub>]<sup>-</sup>: simplified preparation and characterization of Li<sup>+</sup>-Cs<sup>+</sup>, Ag<sup>+</sup>, NH<sub>4</sub><sup>+</sup>, N<sub>2</sub>H<sub>5</sub><sup>+</sup> and N<sub>2</sub>H<sub>7</sub><sup>+</sup> salts.","Dalton transactions (Cambridge, England : 2003)","2020","49","23","7766","7773","10.1039/d0dt00592d","","","0.71073","MoKα","","0.0283","0.028","","","0.0737","0.0739","","","","","","1.156","","","","has coordinates,has disorder","253912","2020-10-21","18:00:00",""
"7704088","11.5817","0.0011","17.9358","0.0017","21.123","0.002","90","","90","","90","","4387.8","0.7","100","2","100.04","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H74 O4 P2 Pd -","- C44 H74 O4 P2 Pd -","- C176 H296 O16 P8 Pd4 -","4","1","","Becica, Joseph; Gaube, Gregory; Sabbers, William A.; Leitch, David C.","Oxidative addition of activated aryl-carboxylates to Pd(0): divergent reactivity dependant on temperature and structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16067","16071","10.1039/d0dt01119c","","","0.71073","MoKα","","0.0209","0.019","","","0.0428","0.0435","","","","","","1.068","","","","has coordinates","260775","2021-01-07","06:27:37",""
"7704112","9.783","0.003","9.914","0.004","13.749","0.005","90","","90","","90","","1333.5","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Mg O15 P4 Pb4 -","- Mg O15 P4 Pb4 -","- Mg4 O60 P16 Pb16 -","4","1","","Wen, Ming; Hu, Cong; Wu, Hongping; Yang, Zhihua; Wu, Xiaohong; Pan, Shilie","Three diphosphates, α-Li<sub>2</sub>Na<sub>2</sub>P<sub>2</sub>O<sub>7</sub>, Li<sub>8</sub>Pb<sub>3</sub>Ba(P<sub>2</sub>O<sub>7</sub>)<sub>4</sub> and Li<sub>7</sub>Rb(P<sub>2</sub>O<sub>7</sub>)<sub>2</sub>: influences of co-substitution on the crystal structure.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6744","6750","10.1039/d0dt01070g","","","0.71073","MoKα","","0.0977","0.0647","","","0.1264","0.1468","","","","","","0.97","","","","has coordinates","252789","2020-10-21","18:00:00",""
"7704138","12.5962","0.0002","13.0948","0.0002","34.8018","0.0004","90","","90","","90","","5740.37","0.14","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C64 H82 N4 P2 -","- C64 H82 N4 P2 -","- C256 H328 N16 P8 -","4","1","","Zhang, Xu; Chen, Xiaodan; Zhai, Haojiang; Liu, Shihua; Hu, Chenyang; Liu, Liu Leo; Wang, Shuhai; Li, Zhongshu","Facile addition of E-H bonds to a dicarbondiphosphide.","Dalton transactions (Cambridge, England : 2003)","2020","49","19","6384","6390","10.1039/d0dt01341b","","x-ray","1.54184","CuKα","","0.0405","0.0371","","","0.0934","0.096","","","","","","1.033","","","","has coordinates","252776","2020-10-21","18:00:00",""
"7704145","9.709","0.007","14.458","0.01","26.69","0.02","90","","90","","90","","3747","5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H64 N6 Si4 Sn -","- C26 H64 N6 Si4 Sn -","- C104 H256 N24 Si16 Sn4 -","4","1","","Ungpittagul, Thasanaporn; Wongmahasirikun, Phonpimon; Phomphrai, Khamphee","Synthesis and characterization of guanidinate tin(ii) complexes for ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8460","8471","10.1039/d0dt01115k","","","0.71073","MoKα","","0.0241","0.0223","","","0.052","0.0527","","","","","","1.038","","","","has coordinates","253899","2020-10-21","18:00:00",""
"7704190","5.83485","0.00014","17.7768","0.0006","20.0446","0.0005","90","","90","","90","","2079.13","0.1","160","1","160","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Fe N3 O2 S -","- C23 H25 Fe N3 O2 S -","- C92 H100 Fe4 N12 O8 S4 -","4","1","","Lin, Yan; Ong, Yih Ching; Keller, Sarah; Karges, Johannes; Bouchene, Rafika; Manoury, Eric; Blacque, Olivier; Müller, Joachim; Anghel, Nicoleta; Hemphill, Andrew; Häberli, Cécile; Taki, Aya C.; Gasser, Robin B.; Cariou, Kevin; Keiser, Jennifer; Gasser, Gilles","Synthesis, characterization and antiparasitic activity of organometallic derivatives of the anthelmintic drug albendazole.","Dalton transactions (Cambridge, England : 2003)","2020","49","20","6616","6626","10.1039/d0dt01107j","","x-ray","1.54184","CuKα","","0.0558","0.0485","","","0.1225","0.1265","","","","","","1.037","","","","has coordinates","252791","2020-10-21","18:00:00",""
"7704240","12.3466","0.0007","16.0952","0.0009","26.4133","0.0015","90","","90","","90","","5248.9","0.5","100","","100","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H83 N5 O2 Si2 -","- C53 H83 N5 O2 Si2 -","- C212 H332 N20 O8 Si8 -","4","1","","Reiter, Dominik; Frisch, Philipp; Wendel, Daniel; Hörmann, Fabian M; Inoue, Shigeyoshi","Oxidation reactions of a versatile, two-coordinate, acyclic iminosiloxysilylene.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","7060","7068","10.1039/d0dt01522a","","x-ray","0.71073","MoKα","","0.0493","0.0366","","","0.0814","0.0896","","","","","","1.066","","","","has coordinates","252833","2020-10-21","18:00:00",""
"7704289","9.9875","0.0005","11.0201","0.0004","19.3941","0.0007","90","","90","","90","","2134.58","0.15","123.01","0.12","123.01","0.12","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Diphenyl bismuth mono-diphenylphosphinate","","- C24 H20 Bi O2 P -","- C24 H20 Bi O2 P -","- C96 H80 Bi4 O8 P4 -","4","1","","Herdman, Megan E.; Werrett, Melissa V.; Duffin, Rebekah N.; Stephens, Liam J.; Brammananth, Rajini; Coppel, Ross L.; Batchelor, Warren; Andrews, Philip C.","Impact of structural changes in heteroleptic bismuth phosphinates on their antibacterial activity in Bi-nanocellulose composites.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7341","7354","10.1039/d0dt01226b","","x-ray","1.54184","CuKα","","0.03","0.0291","","","0.0724","0.0735","","","","","","1.033","","","","has coordinates","253877","2020-10-21","18:00:00",""
"7704292","9.0005","0.0002","16.2512","0.0003","10.029","0.0002","90","","90","","90","","1466.93","0.05","123","0.13","123","0.13","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","diphenyl bismuth mono-dimethylphosphinate","","- C14 H16 Bi O2 P -","- C14 H16 Bi O2 P -","- C56 H64 Bi4 O8 P4 -","4","1","","Herdman, Megan E.; Werrett, Melissa V.; Duffin, Rebekah N.; Stephens, Liam J.; Brammananth, Rajini; Coppel, Ross L.; Batchelor, Warren; Andrews, Philip C.","Impact of structural changes in heteroleptic bismuth phosphinates on their antibacterial activity in Bi-nanocellulose composites.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7341","7354","10.1039/d0dt01226b","","x-ray","1.54184","CuKα","","0.0208","0.0192","","","0.0454","0.0463","","","","","","1.044","","","","has coordinates","253877","2020-10-21","18:00:00",""
"7704348","9.7379","0.0004","18.0542","0.0008","28.0036","0.0019","90","","90","","90","","4923.3","0.4","115","","115","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H68 N2 O2 P2 -","- C55 H68 N2 O2 P2 -","- C220 H272 N8 O8 P8 -","4","1","","Normand, Adrien T.; Malacea-Kabbara, Raluca; Lapenta, Rosita; Dajnak, Aymeric; Richard, Philippe; Cattey, Hélène; Bolley, Anaëlle; Grassi, Alfonso; Milione, Stefano; Auffrant, Audrey; Dagorne, Samuel; Le Gendre, Pierre","Phosphasalen group IV metal complexes: synthesis, characterization and ring opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2020","49","21","6989","7004","10.1039/d0dt00972e","","x-ray","0.71073","MoKα","","0.0499","0.0395","","","0.0807","0.0851","","","","","","1.031","","","","has coordinates,has disorder","252830","2020-10-21","18:00:00",""
"7704439","8.1145","0.0002","11.1511","0.0003","26.8325","0.0007","90","","90","","90","","2427.95","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Cl2 N3 O Zn -","- C26 H27 Cl2 N3 O Zn -","- C104 H108 Cl8 N12 O4 Zn4 -","4","1","","Kokina, Tatyana E.; Rakhmanova, Marianna I.; Shekhovtsov, Nikita A.; Glinskaya, Ludmila A.; Komarov, Vladislav Y.; Agafontsev, Alexander M.; Baranov, Andrey Y.; Plyusnin, Pavel E.; Sheludyakova, Liliya A.; Tkachev, Alexey V.; Bushuev, Mark B.","Luminescent Zn(ii) and Cd(ii) complexes with chiral 2,2'-bipyridine ligands bearing natural monoterpene groups: synthesis, speciation in solution and photophysics.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7552","7563","10.1039/d0dt01438a","","","0.71073","MoKα","","0.0351","0.0293","","","0.0614","0.0634","","","","","","1.036","","","","has coordinates","253879","2020-10-21","18:00:00",""
"7704440","8.2814","0.0004","11.3343","0.0005","26.1739","0.001","90","","90","","90","","2456.78","0.19","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 Cd Cl2 N3 O -","- C26 H27 Cd Cl2 N3 O -","- C104 H108 Cd4 Cl8 N12 O4 -","4","1","","Kokina, Tatyana E.; Rakhmanova, Marianna I.; Shekhovtsov, Nikita A.; Glinskaya, Ludmila A.; Komarov, Vladislav Y.; Agafontsev, Alexander M.; Baranov, Andrey Y.; Plyusnin, Pavel E.; Sheludyakova, Liliya A.; Tkachev, Alexey V.; Bushuev, Mark B.","Luminescent Zn(ii) and Cd(ii) complexes with chiral 2,2'-bipyridine ligands bearing natural monoterpene groups: synthesis, speciation in solution and photophysics.","Dalton transactions (Cambridge, England : 2003)","2020","49","22","7552","7563","10.1039/d0dt01438a","","","0.71073","MoKα","","0.027","0.0243","","","0.0507","0.0518","","","","","","1.026","","","","has coordinates","253879","2020-10-21","18:00:00",""
"7704514","13.1587","0.0002","20.1174","0.0003","24.1036","0.0004","90","","90","","90","","6380.68","0.17","104.7","1","104.7","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Titanium(tris(1,3,4-azadiphospholo-1,2-pyridin-3-olate))-cyclopentadiene","","- C30 H25 N3 O3 P6 Ti -","- C30 H25 N3 O3 P6 Ti -","- C240 H200 N24 O24 P48 Ti8 -","8","2","","Suter, Riccardo; Wagner, Mona; Querci, Lorenzo; Conti, Riccardo; Benkő, Zoltán; Grützmacher, Hansjörg","1,3,4-Azadiphospholides as building blocks for scorpionate and bidentate ligands in multinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","24","8201","8208","10.1039/d0dt01864c","","x-ray","0.71073","MoKα","","0.0638","0.0521","","","0.1083","0.1141","","","","","","1.048","","","","has coordinates","253867","2020-10-21","18:00:00",""
"7704532","8.5849","0.0002","10.7515","0.0002","29.4255","0.0005","90","","90","","90","","2715.99","0.09","292","2","292","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((1R,2S)-1-(((E)-(2-((((S)-1-Benzyl-2-pyrrolidinyl)carbonyl)amino)-phenyl)-(phenyl)methylidene)amine)-2-(methoxycarbonyl)cyclopropanecarboxylato-N,N',N'',O)-nickel(ii)","","- C31 H29 N3 Ni O5 -","- C31 H29 N3 Ni O5 -","- C124 H116 N12 Ni4 O20 -","4","1","","Levitskiy, Oleg A.; Aglamazova, Olga I.; Grishin, Yuri K.; Paseshnichenko, Ksenia A.; Soloshonok, Vadim A.; Moriwaki, Hiroki; Magdesieva, Tatiana V.","Solvent-triggered stereoselectivity of α,α-cyclopropanation of amino acids in the Ni(ii) chiral coordination environment.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8636","8644","10.1039/d0dt01578d","","","1.54186","CuKα","","0.0664","0.0629","","","0.1799","0.184","","","","","","1.09","","","","has coordinates","253892","2020-10-21","18:00:00",""
"7704543","9.2223","0.001","12.554","0.0016","20.447","0.003","90","","90","","90","","2367.3","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H31 N5 O6 S -","- C19 H31 N5 O6 S -","- C76 H124 N20 O24 S4 -","4","1","","Wilson, Joshua; Maxson, Tristan; Wright, Isabelle; Zeller, Matthias; Rosokha, Sergiy V.","Diversity and uniformity in anion-π complexes of thiocyanate with aromatic, olefinic and quinoidal π-acceptors.","Dalton transactions (Cambridge, England : 2003)","2020","49","25","8734","8743","10.1039/d0dt01654c","","","0.71073","MoKα","","0.0496","0.0364","","","0.0859","0.092","","","","","","1.051","","","","has coordinates,has disorder","253893","2020-10-21","18:00:00",""
"7704546","11.4938","0.0004","12.8694","0.0004","21.4788","0.0006","90","","90","","90","","3177.11","0.17","170","2","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 O2 P2 Pt S2 -","- C35 H32 O2 P2 Pt S2 -","- C140 H128 O8 P8 Pt4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0263","0.0233","","","0.0511","0.0524","","","","","","1.021","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704552","11.4906","0.0012","12.9099","0.0014","21.333","0.002","90","","90","","90","","3164.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 O2 P2 Pd S2 -","- C35 H32 O2 P2 Pd S2 -","- C140 H128 O8 P8 Pd4 S8 -","4","1","","Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.","Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","26","9086","9093","10.1039/d0dt01678k","","","0.71073","MoKα","","0.0389","0.0337","","","0.0728","0.0756","","","","","","1.056","","","","has coordinates,has disorder","254993","2020-10-21","18:00:00",""
"7704703","7.4133","0.0005","10.1403","0.0008","15.2345","0.0008","90","","90","","90","","1145.22","0.13","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Fe O -","- C15 H14 Fe O -","- C60 H56 Fe4 O4 -","4","1","","Mazur, Maria; Mrozowicz, Michał; Buchowicz, Włodzimierz; Koszytkowska-Stawińska, Mariola; Kamiński, Radosław; Ochal, Zbigniew; Wińska, Patrycja; Bretner, Maria","Formylation of a metathesis-derived <i>ansa</i>[4]-ferrocene: a simple route to anticancer organometallics.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11504","11511","10.1039/d0dt01975e","","","1.54184","CuKα","","0.0708","0.057","","","0.1186","0.1282","","","","1.72","1.72","1.63","","","","has coordinates","256072","2020-10-21","18:00:00",""
"7704704","7.6075","0.0004","11.1031","0.0007","13.2087","0.0006","90","","90","","90","","1115.7","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Fe O -","- C15 H14 Fe O -","- C60 H56 Fe4 O4 -","4","1","","Mazur, Maria; Mrozowicz, Michał; Buchowicz, Włodzimierz; Koszytkowska-Stawińska, Mariola; Kamiński, Radosław; Ochal, Zbigniew; Wińska, Patrycja; Bretner, Maria","Formylation of a metathesis-derived <i>ansa</i>[4]-ferrocene: a simple route to anticancer organometallics.","Dalton transactions (Cambridge, England : 2003)","2020","49","33","11504","11511","10.1039/d0dt01975e","","","1.54184","CuKα","","0.0472","0.0433","","","0.1041","0.1059","","","","1.7","1.7","1.6","","","","has coordinates","256072","2020-10-21","18:00:00",""
"7704769","8.3124","0.0011","14.5576","0.0019","17.939","0.002","90","","90","","90","","2170.8","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C96 H88 N16 O16 Zn4 -","4","1","","Zhang, Mei-Li; Bai, Ye; Yang, Xiao-Gang; Zheng, Yan-Jin; Ren, Yi-Xia; Wang, Ji-Jiang; Han, Min-Le; Li, Fei-Fei; Ma, Lu-Fang","Dense π-stacking of flexible ligands fixed in interpenetrating Zn(ii) MOF exhibiting long-lasting phosphorescence and efficient carrier transport.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","9961","9964","10.1039/d0dt01810d","","","0.71073","MoKα","","0.0323","0.0265","","","0.058","0.067","","","","","","1.045","","","","has coordinates","254949","2020-10-21","18:00:00",""
"7704795","14.6403","0.0011","26.197","0.002","29.383","0.002","90","","90","","90","","11269.3","1.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H114 La3 N17 O34 -","- C104 H114 La3 N17 O34 -","- C416 H456 La12 N68 O136 -","4","1","","Li, Ge; Zhao, Xiaoxi; Han, Qingxin; Wang, Li; Liu, Weisheng","Radii-dependent self-assembly of chiral lanthanide complexes: synthesis, chirality, and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10120","10126","10.1039/d0dt01711f","","","0.71073","MoKα","","0.0369","0.0327","","","0.0812","0.0833","","","","","","1.062","","","","has coordinates","254944","2020-10-21","18:00:00",""
"7704796","14.6618","0.0001","26.2233","0.0001","29.3764","0.0001","90","","90","","90","","11294.7","0.1","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C104 H116 La3 N17 O34 -","- C104 H116 La3 N17 O34 -","- C416 H464 La12 N68 O136 -","4","1","","Li, Ge; Zhao, Xiaoxi; Han, Qingxin; Wang, Li; Liu, Weisheng","Radii-dependent self-assembly of chiral lanthanide complexes: synthesis, chirality, and single-molecule magnet behavior.","Dalton transactions (Cambridge, England : 2003)","2020","49","29","10120","10126","10.1039/d0dt01711f","","x-ray","1.54184","CuKα","","0.0398","0.0387","","","0.1022","0.1028","","","","","","1.022","","","","has coordinates,has disorder","254944","2020-10-21","18:00:00",""
"7704828","9.9016","0.0002","13.3519","0.0003","18.7267","0.0004","90","","90","","90","","2475.77","0.09","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 Cl Ge N3 Si -","- C22 H36 Cl Ge N3 Si -","- C88 H144 Cl4 Ge4 N12 Si4 -","4","1","","Helmer, Joschua; Hepp, Alexander; Lips, Felicitas","An unsaturated amido-substituted six-vertex germanium cluster and its reactions with alkenes and alkynes.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11843","11850","10.1039/d0dt01984d","","","0.71073","MoKα","","0.023","0.022","","","0.0584","0.0587","","","","","","1.041","","","","has coordinates,has disorder","256115","2020-10-21","18:00:00",""
"7704835","12.5779","0.0003","15.3268","0.0004","16.0033","0.0005","90","","90","","90","","3085.1","0.15","290","2","289.68","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 Co N5 O10 -","- C27 H28 Cl2 Co N5 O10 -","- C108 H112 Cl8 Co4 N20 O40 -","4","1","","de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio","Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16425","16439","10.1039/d0dt01389g","","","0.71073","MoKα","","0.0719","0.0565","","","0.1539","0.1641","","","","","","1.071","","","","has coordinates","260780","2021-01-07","06:29:01",""
"7704838","10.4694","0.0003","12.8698","0.0005","22.5611","0.0008","90","","90","","90","","3039.86","0.18","298","2","297.92","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cl2 Co N5 O10 -","- C25 H32 Cl2 Co N5 O10 -","- C100 H128 Cl8 Co4 N20 O40 -","4","1","","de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio","Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery.","Dalton transactions (Cambridge, England : 2003)","2020","49","45","16425","16439","10.1039/d0dt01389g","","","0.71073","MoKα","","0.0685","0.0511","","","0.1333","0.1447","","","","","","1.047","","","","has coordinates","260780","2021-01-07","06:29:01",""
"7704910","9.5226","0.0003","12.4404","0.0005","18.1571","0.0007","90","","90","","90","","2150.98","0.14","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Cl N3 O Ru -","- C25 H22 Cl N3 O Ru -","- C100 H88 Cl4 N12 O4 Ru4 -","4","1","","Sathiya Kamatchi, Thangavel; Mohamed Subarkhan, Mohamed Kasim; Ramesh, Rengan; Wang, Hangxiang; Małecki, Jan Grzegorz","Investigation into antiproliferative activity and apoptosis mechanism of new arene Ru(ii) carbazole-based hydrazone complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","32","11385","11395","10.1039/d0dt01476a","","x-ray","0.71073","MoKα","","0.0406","0.0314","","","0.0596","0.0639","","","","","","1.048","","","","has coordinates,has disorder","256060","2020-10-21","18:00:00",""
"7705041","12.56245","0.00006","26.01067","0.00013","29.40849","0.00013","90","","90","","90","","9609.45","0.08","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C102 H89 B2 Cl F30 N4 Se2 -","- C102 H89 B2 Cl F30 N4 Se2 -","- C408 H356 B8 Cl4 F120 N16 Se8 -","4","1","","Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias","Chalcogen complexes of anionic N-heterocyclic carbenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","38","13207","13217","10.1039/d0dt02392b","","","1.54184","CuKα","","0.0485","0.0479","","","0.1339","0.1346","","","","","","1.066","","","","has coordinates,has disorder","258869","2020-11-06","12:24:15",""
"7705072","10.3807","0.0004","10.4296","0.0004","11.1541","0.0004","90","","90","","90","","1207.62","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Mo, Xiu-Fang; Xiong, Chang-Feng; Chen, Ze-Wen; Liu, Chao; He, Piao; Tong, Hai-Xia; Yi, Xiao-Yi","Zinc complexes supported by pyridine-<i>N</i>-oxide ligands: synthesis, structures and catalytic Michael addition reactions.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12365","12371","10.1039/d0dt00185f","","","0.71073","MoKα","","0.0289","0.026","","","0.0722","0.074","","","","","","1.043","","","","has coordinates","257551","2020-10-21","18:00:00",""
"7705093","18.7623","0.0003","19.3331","0.0003","26.9512","0.0003","90","","90","","90","","9776.1","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C95 H114.5 Cl4 N3.5 O10 Ti4 -","- C95 H114.5 Cl4 N3.5 O10 Ti4 -","- C380 H458 Cl16 N14 O40 Ti16 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Bedwell, Elizabeth V.; Pryce, Jake A.; Redshaw, Carl","INSIGHTS into the structures adopted by titanocalix[6 and 8]arenes and their use in the ring opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","11978","11996","10.1039/d0dt02130j","","","1.54178","CuKα","","0.0763","0.0632","","","0.169","0.1803","","","","","","1.018","","","","has coordinates,has disorder","256119","2020-10-21","18:00:00",""
"7705115","7.16904","0.00012","20.9451","0.0004","28.7144","0.0004","90","","90","","90","","4311.65","0.12","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H64 Au2 Cl2 N4 Se2 -","- C46 H64 Au2 Cl2 N4 Se2 -","- C184 H256 Au8 Cl8 N16 Se8 -","4","1","","Saab, Marina; Nelson, David J.; Tzouras, Nikolaos V.; A C A Bayrakdar, Tahani; Nolan, Steven P.; Nahra, Fady; Van Hecke, Kristof","Straightforward access to chalcogenoureas derived from N-heterocyclic carbenes and their coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","34","12068","12081","10.1039/d0dt02558e","","x-ray","1.54184","CuKα","","0.0472","0.0396","","","0.0918","0.0965","","","","","","1.032","","","","has coordinates","256109","2020-10-21","18:00:00",""
"7705175","18.1135","0.001","12.8871","0.0006","12.7862","0.0005","90","","90","","90","","2984.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Cu(NNN-pincer)-OH] (Me4N)","The crystal data of this complex were collected for several times after recrystalizations with the consideration of different solvents, Et2O diffusion, vaporation and decreasing the temperature and so on. Finally, a large crystal was chosen for data collection and the diffraction data gave the best result on the solution of crystal structure, which is presented in this report. The poor data could be attributed to the asymmetric parts of allyl chain (CH2-CH=CH2) and the methyl group in the 2,6-position of phenyl rings, which led to strong disordered models in this structure with cis and trans conformational isomer presenting occypancies of 0.73 and 0.27, respectively, in the final refinement. The bond lengths, bond angles and the temperature factors of disordered atoms were restrained by using commands of DFIX and DELU & SIMU. All the hydrogen atoms were added geometrically.","","- C31 H38 Cu N4 O3 -","- C31 H38 Cu N4 O3 -","- C124 H152 Cu4 N16 O12 -","4","1","","Li, Yinghua; Fan, Weibin; Zhang, Zilong; Xie, Xingkun; Xiang, Shiqun; Huang, Deguang","Copper(II)-hydroxide facilitated C-C bond formation: the carboxamido pyridine system <i>versus</i> the methylimino pyridine system.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12189","12196","10.1039/d0dt02288h","","","1.54184","CuKα","","0.1423","0.1262","","","0.3111","0.3276","","","","","","1.036","","","","has coordinates,has disorder","257559","2020-10-21","18:00:00",""
"7705233","8.8756","0.0013","11.4888","0.0011","34.989","0.005","90","","90","","90","","3567.8","0.8","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H39 F6 N4 O3 S Ta -","- C35 H39 F6 N4 O3 S Ta -","- C140 H156 F24 N16 O12 S4 Ta4 -","4","1","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","","1.54178","CuKα","","0.0205","0.0205","","","0.0506","0.0506","","","","","","1.082","","","","has coordinates","257552","2020-10-21","18:00:00",""
"7705234","8.1293","0.0008","21.067","0.002","24.63","0.002","90","","90","","90","","4218.1","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 F6 N4 O3 S Ti -","- C42 H48 F6 N4 O3 S Ti -","- C168 H192 F24 N16 O12 S4 Ti4 -","4","1","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","","1.54178","CuKα","","0.0349","0.0326","","","0.0828","0.0847","","","","","","1.037","","","","has coordinates,has disorder","257552","2020-10-21","18:00:00",""
"7705235","10.0894","0.001","11.9917","0.0013","28.308","0.003","90","","90","","90","","3425","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 F3 N4 O3 S Ta -","- C34 H40 F3 N4 O3 S Ta -","- C136 H160 F12 N16 O12 S4 Ta4 -","4","1","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","","0.71073","MoKα","","0.029","0.0236","","","0.0419","0.043","","","","","","1.016","","","","has coordinates,has disorder","257552","2020-10-21","18:00:00",""
"7705236","13.3873","0.001","15.0633","0.0013","16.524","0.0013","90","","90","","90","","3332.2","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H43 N4 O3 S Ta -","- C34 H43 N4 O3 S Ta -","- C136 H172 N16 O12 S4 Ta4 -","4","1","","Sha, Fanrui; Shimizu, Emily A.; Slocumb, Hannah S.; Towell, Sydney E.; Zhen, Yi; Porter, Hanna Z.; Takase, Michael K.; Johnson, Adam R.","Catalytic intramolecular hydroamination of aminoallenes using titanium and tantalum complexes of sterically encumbered chiral sulfonamides.","Dalton transactions (Cambridge, England : 2003)","2020","49","35","12418","12431","10.1039/d0dt02557g","","","0.71073","MoKα","","0.0201","0.018","","","0.0375","0.038","","","","","","0.993","","","","has coordinates,has disorder","257552","2020-10-21","18:00:00",""
"7705358","9.1277","0.0013","12.3182","0.0018","26.862","0.004","90","","90","","90","","3020.3","0.8","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H31 Co N2 P2 -","- C38 H31 Co N2 P2 -","- C152 H124 Co4 N8 P8 -","4","1","","Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Sekiguchi, Akira; Nakajima, Yumiko","Co(I) complexes with a tetradentate phenanthroline-based PNNP ligand as a potent new metal-ligand cooperation platform.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14592","14597","10.1039/d0dt02549f","","","0.71075","MoKα","","0.0734","0.0488","","","0.1203","0.1373","","","","","","0.843","","","","has coordinates","258800","2020-11-06","12:00:21",""
"7705413","8.391","0.0013","10.3946","0.0004","36.317","0.007","90","","90","","90","","3167.6","0.8","293","2","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","SKR568-1rod","","- C26 H19 B2 F8 Fe N13 -","- C26 H19 B2 F8 Fe N13 -","- C104 H76 B8 F32 Fe4 N52 -","4","1","","Senthil Kumar, Kuppusamy; Del Giudice, Nicolas; Heinrich, Benoît; Douce, Laurent; Ruben, Mario","Bistable spin-crossover in a new series of [Fe(BPP-R)<sub>2</sub>]<sup>2+</sup> (BPP = 2,6-bis(pyrazol-1-yl)pyridine; R = CN) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","40","14258","14267","10.1039/d0dt02214d","","","0.71073","MoKα","","0.1173","0.0657","","","0.159","0.1846","","","","","","1.016","","","","has coordinates","258847","2020-11-06","12:17:35",""
"7705481","6.32131","0.00013","12.7658","0.0003","20.1479","0.0005","90","","90","","90","","1625.87","0.06","297.3","0.5","297.3","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H14 O2 S -","- C21 H14 O2 S -","- C84 H56 O8 S4 -","4","1","","Babetto, Luca; Carlotto, Silvia; Carlotto, Alice; Rancan, Marzio; Bottaro, Gregorio; Armelao, Lidia; Casarin, Maurizio","Antenna triplet DFT calculations to drive the design of luminescent Ln<sup>3+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14556","14563","10.1039/d0dt02624g","","x-ray","1.54184","CuKα","","0.0387","0.0358","","","0.0993","0.1022","","","","","","1.043","","","","has coordinates,has disorder","258786","2020-11-06","11:56:53",""
"7705487","10.9424","0.0004","13.4216","0.0005","25.9506","0.001","90","","90","","90","","3811.2","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C39 H44 Cl F6 N3 Os P Sb -","- C39 H44 Cl F6 N3 Os P Sb -","- C156 H176 Cl4 F24 N12 Os4 P4 Sb4 -","4","1","","Parker, Amie; Lamata, Pilar; Viguri, Fernando; Rodríguez, Ricardo; López, José A; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Half-sandwich complexes of osmium containing guanidine-derived ligands.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13601","13617","10.1039/d0dt02713h","","","0.71073","MoKα","","0.0179","0.0175","","","0.0409","0.0411","","","","","","1.098","","","","has coordinates","258835","2020-11-06","12:13:32",""
"7705511","15.0846","0.0002","17.6395","0.0003","19.6763","0.0003","90","","90","","90","","5235.56","0.14","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C55 H53 F12 N6 O4 Sm -","- C55 H53 F12 N6 O4 Sm -","- C220 H212 F48 N24 O16 Sm4 -","4","1","","Guo, Zhifang; Blair, Victoria L.; Deacon, Glen B.; Junk, Peter C.","Widely contrasting outcomes from the use of tris(pentafluorophenyl)bismuth or pentafluorophenylsilver as oxidants in the reactions of lanthanoid metals with <i>N</i>,<i>N</i>'-diarylformamidines.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13588","13600","10.1039/d0dt03044a","","","0.71073","MoKα","","0.0341","0.0291","","","0.0678","0.0704","","","","","","1.035","","","","has coordinates","258818","2020-11-06","12:09:00",""
"7705537","14.448","0.0008","14.6266","0.0009","18.8637","0.0013","90","","90","","90","","3986.4","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H8 B2 F30 O4 -","- C42 H8 B2 F30 O4 -","- C168 H32 B8 F120 O16 -","4","1","","Udomsasporn, Kwanchanok; Haesuwannakij, Setsiri; Piromjitpong, Parichat; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Comparative bindings of lactones, lactide, and cyclic carbonates: experimental insights into the coordination step of polymerization.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14378","14382","10.1039/d0dt03323e","","x-ray","0.71073","MoKα","","0.0503","0.0417","","","0.0999","0.1044","","","","","","1.021","","","","has coordinates","258781","2020-11-06","11:55:30",""
"7705556","13.8445","0.0002","17.9944","0.0002","18.8137","0.0002","90","","90","","90","","4686.93","0.1","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H72 N6 O Si4 Sn2 -","- C36 H72 N6 O Si4 Sn2 -","- C144 H288 N24 O4 Si16 Sn8 -","4","1","","Rösch, Andreas; Herzog, Christoph M.; Schreiner, Simon H. F.; Görls, Helmar; Kretschmer, Robert","Ditopic bis(<i>N</i>,<i>N</i>',<i>N</i>'-substituted 1,2-ethanediamine) ligands: synthesis and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2020","49","39","13818","13828","10.1039/d0dt03124k","","","1.39222","CuKβ","","0.0183","0.0178","","","0.0428","0.0431","","","","","","1.04","","","","has coordinates","258836","2020-11-06","12:13:58",""
"7705582","10.5518","0.0011","21.069","0.002","24.247","0.002","90","","90","","90","","5390.5","0.9","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H35 Dy F9 N4 O6.5 S5 -","- C51 H35 Dy F9 N4 O6.5 S5 -","- C204 H140 Dy4 F36 N16 O26 S20 -","4","1","","Kong, Ming; Feng, Xin; Li, Jing; Hu, Zhao-Bo; Wang, Jia; Song, Xiao-Jiao; Jing, Zhao-Yang; Zhang, Yi-Quan; Song, You","Structurally modulated single-ion magnets of mononuclear β-diketone dysprosium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","42","14931","14940","10.1039/d0dt02864a","","","0.71073","MoKα","","0.0504","0.0416","","","0.1039","0.1079","","","","","","1.012","","","","has coordinates","258808","2020-11-06","12:03:25",""
"7705587","7.29023","0.00008","15.38948","0.00019","22.8617","0.0003","90","","90","","90","","2564.92","0.05","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Cl3 N5 O3 V -","- C25 H27 Cl3 N5 O3 V -","- C100 H108 Cl12 N20 O12 V4 -","4","1","","Bazhenova, Tamara A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Mironov, Vladimir S.; Maximova, Olga V.; Spillecke, Lena; Koo, Changhyun; Klingeler, Rüdiger; Manakin, Yuriy V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.","The first pentagonal-bipyramidal vanadium(III) complexes with a Schiff-base N<sub>3</sub>O<sub>2</sub> pentadentate ligand: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15287","15298","10.1039/d0dt03092a","","x-ray","0.71073","MoKα","","0.032","0.0301","","","0.0819","0.084","","","","","","1.002","","","","has coordinates","260745","2021-01-07","06:15:39",""
"7705589","13.9738","0.0002","14.3549","0.0002","27.3124","0.0004","90","","90","","90","","5478.66","0.14","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26.5 H23.5 N7.5 O2.5 S2 V -","- C26.5 H23.5 N7.5 O2.5 S2 V -","- C212 H188 N60 O20 S16 V8 -","8","2","","Bazhenova, Tamara A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Mironov, Vladimir S.; Maximova, Olga V.; Spillecke, Lena; Koo, Changhyun; Klingeler, Rüdiger; Manakin, Yuriy V.; Vasiliev, Alexander N.; Yagubskii, Eduard B.","The first pentagonal-bipyramidal vanadium(III) complexes with a Schiff-base N<sub>3</sub>O<sub>2</sub> pentadentate ligand: synthesis, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15287","15298","10.1039/d0dt03092a","","x-ray","0.71073","MoKα","","0.0472","0.037","","","0.0811","0.0868","","","","","","1","","","","has coordinates,has disorder","260745","2021-01-07","06:15:54",""
"7705609","13.9885","0.0006","16.7416","0.0007","20.1362","0.0007","90","","90","","90","","4715.7","0.3","93","","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H64 Au2 Cl2 O2 P2 -","- C50 H64 Au2 Cl2 O2 P2 -","- C200 H256 Au8 Cl8 O8 P8 -","4","1","","Osawa, Masahisa; Soma, Sakie; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from <sup>3</sup>XMMCT/<sup>3</sup>MC.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15204","15212","10.1039/d0dt03144e","","x-ray","0.71073","MoKα","","0.034","0.0291","","","0.0602","0.0614","","","","","","1.043","","","","has coordinates","260743","2021-01-07","06:14:58",""
"7705610","14.0829","0.0007","16.7889","0.0007","20.2432","0.0008","90","","90","","90","","4786.2","0.4","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H64 Au2 Br2 O2 P2 -","- C50 H64 Au2 Br2 O2 P2 -","- C200 H256 Au8 Br8 O8 P8 -","4","1","","Osawa, Masahisa; Soma, Sakie; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from <sup>3</sup>XMMCT/<sup>3</sup>MC.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15204","15212","10.1039/d0dt03144e","","x-ray","0.71073","MoKα","","0.0393","0.0311","","","0.059","0.0606","","","","","","1.042","","","","has coordinates","260743","2021-01-07","06:15:02",""
"7705612","14.06858","0.00018","17.0216","0.0002","20.3878","0.0002","90","","90","","90","","4882.26","0.1","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H64 Au2 I2 O2 P2 -","- C50 H64 Au2 I2 O2 P2 -","- C200 H256 Au8 I8 O8 P8 -","4","1","","Osawa, Masahisa; Soma, Sakie; Hoshino, Mikio; Tanaka, Yuya; Akita, Munetaka","Photoluminescent properties and molecular structures of dinuclear gold(I) complexes with bridged diphosphine ligands: near-unity phosphorescence from <sup>3</sup>XMMCT/<sup>3</sup>MC.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15204","15212","10.1039/d0dt03144e","","x-ray","0.71073","MoKα","","0.0211","0.0179","","","0.0302","0.0306","","","","","","1.041","","","","has coordinates","260743","2021-01-07","06:15:22",""
"7705656","10.0629","0.0002","15.8461","0.0002","17.489","0.0002","90","","90","","90","","2788.76","0.07","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","BM18","","- C24 H31 Cl5 N2 Pt S -","- C24 H31 Cl5 N2 Pt S -","- C96 H124 Cl20 N8 Pt4 S4 -","4","1","","Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.","A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2020","49","41","14673","14679","10.1039/d0dt03480k","","x-ray","0.71073","MoKα","","0.0342","0.0296","","","0.0604","0.0627","","","","","","1.03","","","","has coordinates,has disorder","258787","2020-11-06","11:57:14",""
"7705677","13.6214","0.001","18.3845","0.0012","24.7906","0.0011","90","","90","","90","","6208.1","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ga(PCO)(IMes)[(NDipp)2C12H5]*2tol","","- C72 H80 Ga N4 O P -","- C72 H80 Ga N4 O P -","- C288 H320 Ga4 N16 O4 P4 -","4","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","0.71073","MoKα","","0.1113","0.0651","","","0.1117","0.1279","","","","","","1.009","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705680","13.654","0.0001","18.2902","0.0001","24.7157","0.0001","90","","90","","90","","6172.36","0.06","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","GaI(IMes)[(NDipp)2C12H5]*2tol","","- C71 H80 Ga I N4 -","- C71 H80 Ga I N4 -","- C284 H320 Ga4 I4 N16 -","4","1","","Wilson, Daniel W. N.; Myers, William K.; Goicoechea, Jose M.","Synthesis and decarbonylation chemistry of gallium phosphaketenes.","Dalton transactions (Cambridge, England : 2003)","2020","49","43","15249","15255","10.1039/d0dt03174g","","","1.54184","CuKα","","0.0279","0.0259","","","0.0662","0.0683","","","","","","1.082","","","","has coordinates","260742","2021-01-07","06:14:42",""
"7705791","10.5709","0.0004","11.4698","0.0005","28.3489","0.001","90","","90","","90","","3437.2","0.2","149.44","","149.44","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H39 B Cl7 Ga2 N3 -","- C22 H39 B Cl7 Ga2 N3 -","- C88 H156 B4 Cl28 Ga8 N12 -","4","1","","Bamford, Karlee L.; Stephan, Douglas W.","Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17571","17577","10.1039/d0dt03665j","","","0.71073","MoKα","","0.0942","0.0462","","","0.0767","0.0868","","","","","","1.0099","","","","has coordinates","260762","2021-01-07","06:22:54",""
"7705792","9.4798","0.001","17.8564","0.0018","22.909","0.003","90","","90","","90","","3877.9","0.8","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H47 B Cl7 Ga2 N3 -","- C28 H47 B Cl7 Ga2 N3 -","- C112 H188 B4 Cl28 Ga8 N12 -","4","1","","Bamford, Karlee L.; Stephan, Douglas W.","Insertion reactions of the C-B-N-substituted borinium cation [MesBN<sup>i</sup>Pr<sub>2</sub>]<sup/>.","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17571","17577","10.1039/d0dt03665j","","","0.71073","MoKα","","0.0877","0.0486","","","0.0813","0.0934","","","","","","1.0271","","","","has coordinates","260762","2021-01-07","06:23:07",""
"7705835","5.05224","0.00005","13.52734","0.00014","14.42744","0.00014","90","","90","","90","","986.02","0.017","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-methyl-9-acridone","","- C14 H11 N O -","- C14 H11 N O -","- C56 H44 N4 O4 -","4","1","","Liang, Weichi; Wen, Jiali; Zhao, Yukai; Zhang, Meng; Jiang, Jiuxing","The embedding of fluorescent <i>N</i>-methyl-9-acridone into a topological new layered aluminophosphate SYSU-2 by one-pot synthesis.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","17033","17038","10.1039/d0dt03006f","","x-ray","1.54184","CuKα","","0.0294","0.0292","","","0.0828","0.083","","","","","","1.074","","","","has coordinates","259681","2020-12-09","02:59:43",""
"7705852","18.53479","0.00012","20.42808","0.00012","40.2348","0.0003","90","","90","","90","","15234.1","0.18","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H85 B F24 N P2 Rh -","- C73 H85 B F24 N P2 Rh -","- C584 H680 B8 F192 N8 P16 Rh8 -","8","2","","Hood, Thomas M.; Chaplin, Adrian B.","Reactions of Rh(PNP) pincer complexes with terminal alkynes: homocoupling through a ring or not at all.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16649","16652","10.1039/d0dt03550e","","x-ray","1.54184","CuKα","","0.0743","0.0679","","","0.1778","0.1871","","","","","","1.025","","","","has coordinates,has disorder","259687","2020-12-09","03:07:55",""
"7705869","6.5703","0.0002","17.9817","0.0004","45.3393","0.0013","90","","90","","90","","5356.6","0.3","103","","103","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H46 Cl4 Mn2 N4 O8.7 -","- C60 H46 Cl4 Mn2 N4 O8.7 -","- C240 H184 Cl16 Mn8 N16 O34.8 -","4","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.1266","0.0696","","","0.1095","0.1271","","","","","","0.999","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705870","6.5753","0.0001","17.9896","0.0004","45.3418","0.0007","90","","90","","90","","5363.35","0.17","103","","103","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H46 Cl4 Mn2 N4 O8.7 -","- C60 H46 Cl4 Mn2 N4 O8.7 -","- C240 H184 Cl16 Mn8 N16 O34.8 -","4","1","","Huang, Po-Jung; Miyasaka, Hitoshi","Canting angle dependence of single-chain magnet behaviour in chirality-introduced antiferromagnetic chains of acetate-bridged manganese(III) salen-type complexes.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16970","16978","10.1039/d0dt03615c","","x-ray","0.71073","MoKα","","0.0514","0.0391","","","0.0794","0.0838","","","","","","1.047","","","","has coordinates","259691","2020-12-09","03:12:13",""
"7705874","7.7465","0.0006","13.5915","0.0009","16.9107","0.0011","90","","90","","90","","1780.5","0.2","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 Cl4 N2 Pb -","- C6 H16 Cl4 N2 Pb -","- C24 H64 Cl16 N8 Pb4 -","4","1","","Yu, Shan-Shan; Zhao, Hai-Rong; Zhang, Hui; Duan, Hai-Bao","Two chiral haloplumbate hybrids with thermochromism luminescence and application potential as luminescent thermometers.","Dalton transactions (Cambridge, England : 2003)","2020","49","46","16643","16648","10.1039/d0dt02261f","","x-ray","0.71073","MoKα","","0.0679","0.0641","","","0.1431","0.1477","","","","","","1.11","","","","has coordinates","259693","2020-12-09","03:14:27",""
"7705926","9.085","0.005","13.306","0.008","16.74","0.011","90","","90","","90","","2024","2","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","PJ-151","","- C17 H10 Cl2 N O5 P W -","- C17 H10 Cl2 N O5 P W -","- C68 H40 Cl8 N4 O20 P4 W4 -","4","1","","Junker, Philip; Qu, Zheng-Wang; Kalisch, Tim; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer","A case study on the conversion of Li/Cl phosphinidenoid into phosphinidene complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","739","745","10.1039/d0dt03884a","","","0.71073","MoKα","","0.0318","0.0257","","","0.0471","0.049","","","","","","1.026","","","","has coordinates","261683","2021-02-04","23:16:56",""
"7705989","12.0577","0.0008","16.8079","0.0012","18.6727","0.0014","90","","90","","90","","3784.3","0.5","90","","90","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H57 N2 P2 Rh Si4 -","- C32 H57 N2 P2 Rh Si4 -","- C128 H228 N8 P8 Rh4 Si16 -","4","1","","Yeo, Alyssa; Sanz, Corey A.; Fryzuk, Michael D.","Forays into rhodium macrocyclic chemistry stabilized by a P<sub>2</sub>N<sub>2</sub> donor set. Activation of dihydrogen and benzene.","Dalton transactions (Cambridge, England : 2003)","2021","50","3","899","907","10.1039/d0dt03688a","","","0.71073","MoKα","","0.0329","0.0281","","","0.0575","0.059","","","","","","1.067","","","","has coordinates","261693","2021-02-04","23:18:57",""
"7706005","7.35","0.002","14.101","0.005","14.224","0.003","90","","90","","90","","1474.2","0.7","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N4 Ni S4 -","- C9 H14 N4 Ni S4 -","- C36 H56 N16 Ni4 S16 -","4","1","","Bilyj, Jessica K.; Silajew, Nicole V.; Bernhardt, Paul V.","Nickel coordination chemistry of bis(dithiocarbazate) Schiff base ligands; metal and ligand centred redox reactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","612","623","10.1039/d0dt03204b","","x-ray","0.71073","MoKα","","0.0478","0.04","","","0.077","0.0811","","","","","","0.992","","","","has coordinates","261679","2021-02-04","23:15:54",""
"7706064","14.4538","0.0004","19.9792","0.0004","28.2756","0.0006","90","","90","","90","","8165.3","0.3","110.1","0.2","110.1","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H107.62 Al2 Cl N4 O6.31 -","- C72 H107.626 Al2 Cl N4 O6.313 -","- C288 H430.504 Al8 Cl4 N16 O25.252 -","4","1","","Fish, Heather; Hart, Sam; Lamb, Katie J.; North, Michael; Quek, Sophie C. Z.; Whitwood, Adrian C.; Woods, Barnaby; Wu, Xiao","Structural analysis of five-coordinate aluminium(salen) complexes and its relationship to their catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2021","50","2","587","598","10.1039/d0dt03598j","","x-ray","0.71073","MoKα","","0.0607","0.047","","","0.1226","0.1322","","","","","","1.02","","","","has coordinates","261686","2021-02-04","23:17:31",""
"7706147","8.313","0.004","21.426","0.009","21.959","0.008","90","","90","","90","","3911","3","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C48 H96 Cl48 N72 Pb12 -","12","3","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0407","0.0314","","","0.069","0.0708","","","","","","0.892","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706151","8.321","0.005","21.465","0.012","22.084","0.01","90","","90","","90","","3944","4","125","2","125","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 Cl4 N6 Pb -","- C4 H8 Cl4 N6 Pb -","- C48 H96 Cl48 N72 Pb12 -","12","3","","Guo, Yuan-Yuan; Yang, Lin-Jie; McNulty, Jason A.; Slawin, Alexandra M. Z.; Lightfoot, Philip","Structural variations in (001)-oriented layered lead halide perovskites, templated by 1,2,4-triazolium.","Dalton transactions (Cambridge, England : 2003)","2020","49","47","17274","17280","10.1039/d0dt02936j","","","0.71075","MoKα","","0.0454","0.0339","","","0.0692","0.0717","","","","","","0.868","","","","has coordinates","260001","2020-12-19","03:33:35",""
"7706256","9.673","0.0005","10.5884","0.0005","39.5971","0.0019","90","","90","","90","","4055.6","0.3","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C43 H60 O6 -","- C43 H60 O6 -","- C172 H240 O24 -","4","1","","Knippen, Katharina; Bredenkötter, Björn; Kanschat, Lisa; Kraft, Maryana; Vermeyen, Tom; Herrebout, Wouter; Sugimoto, Kunihisa; Bultinck, Patrick; Volkmer, Dirk","CFA-18: a homochiral metal-organic framework (MOF) constructed from rigid enantiopure bistriazolate linker molecules.","Dalton transactions (Cambridge, England : 2003)","2020","49","44","15758","15768","10.1039/d0dt02847a","","","0.71073","MoKα","","0.1086","0.0624","","","0.1104","0.1241","","","","","","1.1","","","","has coordinates","260510","2021-01-05","07:22:46",""
"7706367","10.731","0.004","15.17","0.004","19.59","0.009","90","","90","","90","","3189","2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","4-Br(Mes)","","- C20 H41 B Br2 Cl2 P4 Pt2 -","- C20 H41 B Br2 Cl2 P4 Pt2 -","- C80 H164 B4 Br8 Cl8 P16 Pt8 -","4","1","","Brunecker, Carina; Arrowsmith, Merle; Müssig, Jonas H; Böhnke, Julian; Stoy, Andreas; Heß, Merlin; Hofmann, Alexander; Lenczyk, Carsten; Lichtenberg, Crispin; Ramler, Jacqueline; Rempel, Anna; Braunschweig, Holger","Synthesis and characterisation of boranediyl- and diboranediyl-bridged diplatinum A-frame complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","10","3506","3515","10.1039/d0dt03855e","","","0.71073","MoKα","","0.012","0.0115","","","0.0257","0.0258","","","","","","1.087","","","","has coordinates","263751","2021-04-05","14:46:35",""
"7706378","9.953","0.002","13.918","0.003","25.775","0.005","90","","90","","90","","3570.5","1.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H28 Ag2 N10 O6 -","- C38 H28 Ag2 N10 O6 -","- C152 H112 Ag8 N40 O24 -","4","1","","Xu, Zou-Hong; Huang, Zi-Qing; Liu, Xiao-Hui; Zhao, Yue; Lu, Yi; Sun, Wei-Yin","Luminescent silver(i) complexes with pyrazole-tetraphenylethene ligands: turn-on fluorescence due to the coordination-driven rigidification and solvent-oriented structural transformation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2183","2191","10.1039/d0dt04100a","","","0.71073","MoKα","","0.0853","0.0431","","","0.0826","0.1015","","","","","","1.033","","","","has coordinates","262640","2021-03-05","02:04:17",""
"7706427","8.3792","0.0002","17.0809","0.0004","18.6707","0.0004","90","","90","","90","","2672.23","0.11","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 N3 O2 P -","- C27 H41 N3 O2 P -","- C108 H164 N12 O8 P4 -","4","1","","Navarro, Yolanda; Guedes, Guilherme P.; Del Águila-Sánchez, Miguel A; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, crystal structures and magnetic properties of a P-stereogenic <i>ortho</i>-(4-amino-tempo)phosphinic amide radical and its Cu<sup>II</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2585","2595","10.1039/d0dt04298f","","","1.54178","CuKα","","0.0349","0.03","","","0.0719","0.075","","","","","","1.05","","","","has coordinates","262660","2021-03-05","02:09:40",""
"7706428","14.6129","0.0003","15.1415","0.0004","21.6411","0.0005","90","","90","","90","","4788.34","0.19","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H51 Cu F12 N3 O6 P -","- C44 H51 Cu F12 N3 O6 P -","- C176 H204 Cu4 F48 N12 O24 P4 -","4","1","","Navarro, Yolanda; Guedes, Guilherme P.; Del Águila-Sánchez, Miguel A; Iglesias, María José; Lloret, Francisco; López-Ortiz, Fernando","Synthesis, crystal structures and magnetic properties of a P-stereogenic <i>ortho</i>-(4-amino-tempo)phosphinic amide radical and its Cu<sup>II</sup> complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2585","2595","10.1039/d0dt04298f","","","1.54178","CuKα","","0.0405","0.0341","","","0.0815","0.084","","","","","","1.035","","","","has coordinates","262660","2021-03-05","02:09:49",""
"7706465","9.5701","0.0014","22.718","0.003","24.433","0.003","90","","90","","90","","5312.1","1.2","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","AS-401","","- C47 H64 N O11 P2 W2 -","- C47 H64 N O11 P2 W2 -","- C188 H256 N4 O44 P8 W8 -","4","1","","Schmer, Alexander; Bauza, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer","Molecular 1,1'-bifunctional mixed-valence P-P compounds, enabled through metal complexation.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","2131","2137","10.1039/d0dt04070c","","","0.71073","MoKα","","0.0867","0.0522","","","0.1002","0.1154","","","","","","1.041","","","","has coordinates","262646","2021-03-05","02:05:34",""
"7706486","10.0585","0.0006","13.2365","0.0007","22.1369","0.0012","90","","90","","90","","2947.3","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 F5 Li N4 -","- C29 H22 F5 Li N4 -","- C116 H88 F20 Li4 N16 -","4","1","","van Rees, Karlotta; Love, Jason B.","Synthesis and complexes of a constrained-cavity Schiff-base dipyrrin macrocycle.","Dalton transactions (Cambridge, England : 2003)","2021","50","5","1610","1613","10.1039/d1dt00175b","","","0.71073","MoKα","","0.0282","0.0257","","","0.0672","0.0688","","","","","","1.038","","","","has coordinates","262618","2021-03-05","01:58:30",""
"7706546","15.2128","0.0001","15.606","0.0001","20.6921","0.0002","90","","90","","90","","4912.53","0.07","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C61 H58 Ca N2 O2 -","- C61 H58 Ca N2 O2 -","- C244 H232 Ca4 N8 O8 -","4","1","","Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd","Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3178","3185","10.1039/d1dt00173f","","x-ray","1.54184","CuKα","","0.0394","0.038","","","0.0987","0.1004","","","","","","1.101","","","","has coordinates,has disorder","263760","2021-04-05","14:49:34",""
"7706547","11.46322","0.00013","18.5099","0.00018","31.3065","0.0003","90","","90","","90","","6642.71","0.12","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C78 H94 Ca N2 O7 -","- C78 H94 Ca N2 O7 -","- C312 H376 Ca4 N8 O28 -","4","1","","Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd","Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3178","3185","10.1039/d1dt00173f","","x-ray","1.54184","CuKα","","0.0493","0.0474","","","0.1276","0.1295","","","","","","1.035","","","","has coordinates,has disorder","263760","2021-04-05","14:49:34",""
"7706548","11.26267","0.00011","11.38212","0.00012","32.9097","0.0003","90","","90","","90","","4218.8","0.07","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H53.52 Ca N4 O3 -","- C50 H53.516 Ca N4 O3 -","- C200 H214.064 Ca4 N16 O12 -","4","1","","Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd","Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3178","3185","10.1039/d1dt00173f","","x-ray","1.54184","CuKα","","0.0367","0.0349","","","0.0783","0.0792","","","","","","1.059","","","","has coordinates,has disorder","263760","2021-04-05","14:49:34",""
"7706549","20.5914","0.0003","20.9696","0.0003","22.3214","0.0003","90","","90","","90","","9638.2","0.2","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Ca N2 O2 P2 -","- C58 H54 Ca N2 O2 P2 -","- C464 H432 Ca8 N16 O16 P16 -","8","2","","Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd","Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3178","3185","10.1039/d1dt00173f","","x-ray","1.54184","CuKα","","0.029","0.0275","","","0.0692","0.0703","","","","","","1.023","","","","has coordinates","263760","2021-04-05","14:49:34",""
"7706563","11.389","0.002","12.886","0.003","30.629","0.006","90","","90","","90","","4495.1","1.6","153.15","","153.15","","","","","","","","no","6","P 21 21 21","P 2ac 2ab","19","2(ClO4)-MeOH-153K","2(ClO4)-MeOH-153K","","- C47 H42 Cl2 Fe N6 O13 -","- C46 H38 Cl2 Fe N6 O12 -","- C184 H152 Cl8 Fe4 N24 O48 -","4","1","","Wang, Run-Guo; Meng, Yin-Shan; Gao, Fang-Fang; Gao, Wan-Qing; Liu, Chun-Hua; Li, Anyang; Liu, Tao; Zhu, Yuan-Yuan","Ligand symmetry significantly affects spin crossover behaviour in isomeric [Fe(pybox)<sub>2</sub>]<sup>2+</sup> complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","9","3369","3378","10.1039/d0dt03978k","","","0.71073","MoKα","","0.057","0.0538","","","0.1343","0.1377","","","","","","1.071","","","","has coordinates,has disorder","263753","2021-04-05","14:47:58",""
"7706649","6.7042","0.0005","18.5722","0.0013","23.3487","0.0016","90","","90","","90","","2907.2","0.4","189.98","","189.98","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H24 N2 O6 S Zn -","- C34 H24 N2 O6 S Zn -","- C136 H96 N8 O24 S4 Zn4 -","4","1","","Zhang, Xiao-Yu; Zhao, Shu-Man; Li, Ran; Xu, Zou-Hong; Wang, Min-Yan; Jiang, Yu-Fei; Chen, Kai; Zhao, Yue; Sun, Wei-Yin","A single-crystal to single-crystal transition from a 7-fold interpenetrated coordination polymer to a non-interpenetrated one by photochemical [2 + 2] polymerization and their sensing properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4408","4414","10.1039/d0dt04428h","","","1.34139","GaKα","","0.0271","0.0243","","","0.0601","0.0615","","","","","","1.038","","","","has coordinates","263792","2021-04-05","14:59:46",""
"7706650","7.3773","0.0003","16.9343","0.0007","23.134","0.0009","90","","90","","90","","2890.1","0.2","192.97","","192.97","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H24 N2 O6 S Zn -","- C34 H24 N2 O6 S Zn -","- C136 H96 N8 O24 S4 Zn4 -","4","1","","Zhang, Xiao-Yu; Zhao, Shu-Man; Li, Ran; Xu, Zou-Hong; Wang, Min-Yan; Jiang, Yu-Fei; Chen, Kai; Zhao, Yue; Sun, Wei-Yin","A single-crystal to single-crystal transition from a 7-fold interpenetrated coordination polymer to a non-interpenetrated one by photochemical [2 + 2] polymerization and their sensing properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4408","4414","10.1039/d0dt04428h","","","1.34139","GaKα","","0.0639","0.0451","","","0.1031","0.111","","","","","","1.048","","","","has coordinates","263792","2021-04-05","14:59:47",""
"7706698","13.1572","0.0002","16.6001","0.0002","34.5546","0.0005","90","","90","","90","","7547.1","0.18","99.99","0.1","99.99","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C71.25 H59.5 Cl2.5 Cu4 F6 N6 P5 S2 -","- C71.25 H59.5 Cl2.5 Cu4 F6 N6 P5 S2 -","- C285 H238 Cl10 Cu16 F24 N24 P20 S8 -","4","1","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0642","0.0557","","","0.1481","0.1595","","","","","","1.059","","","","has coordinates","263766","2021-04-05","14:51:32",""
"7706703","13.1571","0.0002","16.5948","0.0002","34.5954","0.0004","90","","90","","90","","7553.54","0.17","100","0.1","100","0.1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C71.25 H59.5 Cl2.5 Cu4 F6 N6 P5 S2 -","- C71.25 H59.5 Cl2.5 Cu4 F6 N6 P5 S2 -","- C285 H238 Cl10 Cu16 F24 N24 P20 S8 -","4","1","","Xu, Han; Han, Ying-Zi; OuYang, Jie; Chen, Zuo-Chang; Chen, Hui-Jun; Nie, Hong-Hong; Tang, Zichao; Yang, Shi-Yao; Huang, Rong-Bin; Zheng, Lan-Sun; Teo, Boon K.","Dissection of bicapped octahedral copper hydride cluster to form two chiral tetrahedral copper hydride cluster series exhibiting auto deracemization and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2021","50","11","4028","4035","10.1039/d1dt00031d","","","1.54184","CuKα","","0.0428","0.0387","","","0.1005","0.1039","","","","","","1.06","","","","has coordinates","263766","2021-04-05","14:51:32",""
"7706754","11.2702","0.0011","13.6834","0.0013","19.7364","0.0018","90","","90","","90","","3043.6","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cu N7 O15 P -","- C20 H26 Cu N7 O15 P -","- C80 H104 Cu4 N28 O60 P4 -","4","1","","Song, Wen-Jing; Su, Hao; Zhou, Pei; Zhu, Yan-Hong; Khan, Maroof Ahmad; Song, Jian-Biao; Li, Hui","Controllable synthesis of two adenosine 5'-monophosphate nucleotide coordination polymers via pH regulation: crystal structure and chirality.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4713","4719","10.1039/d1dt00133g","","","0.71073","MoKα","","0.0715","0.0589","","","0.1822","0.1961","","","","","","1.09","","","","has coordinates","266058","2021-06-05","18:45:51",""
"7706816","13.7304","0.0004","13.8612","0.0004","24.7926","0.0007","90","","90","","90","","4718.5","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H4 Cl21 Cs3 O17 U -","- C14 H4 Cl21 Cs3 O17 U -","- C56 H16 Cl84 Cs12 O68 U4 -","4","1","","Savchenkov, Anton V.; Uhanov, Andrei S.; Grigoriev, Mikhail S.; Fedoseev, Aleksandr M.; Pushkin, Denis V.; Serezhkina, Larisa B.; Serezhkin, Viktor N.","Halogen bonding in uranyl and neptunyl trichloroacetates with alkali metals and improved crystal chemical formulae for coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2021","50","12","4210","4218","10.1039/d0dt04083e","","","0.71073","MoKα","","0.0522","0.0358","","","0.0567","0.0608","","","","","","1.018","","","","has coordinates","263794","2021-04-05","15:00:41",""
"7706818","8.9319","0.0002","11.0143","0.0003","24.0525","0.0007","90","","90","","90","","2366.25","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Fe N3 O2 -","- C26 H31 Fe N3 O2 -","- C104 H124 Fe4 N12 O8 -","4","1","","Opačak, Saša; Babić, Darko; Perić, Berislav; Marinić, Željko; Smrečki, Vilko; Pem, Barbara; Vinković Vrček, Ivana; Kirin, Srećko I","A ferrocene-based pseudopeptide chiroptical switch.","Dalton transactions (Cambridge, England : 2003)","2021","50","13","4504","4511","10.1039/d1dt00508a","","","1.54184","CuKα","","0.0635","0.0466","","","0.1008","0.1124","","","","","","1.079","","","","has coordinates","266056","2021-06-05","18:45:11",""
"7706853","8.26668","0.00008","15.72226","0.00015","17.6734","0.00019","90","","90","","90","","2297.03","0.04","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Rh(acac)CO(o-CF3-9-phosphatriptycene complex)","(acetylacetonato)-carbonylrhodium-ortho-trifluoromethyl-9-phosphatriptycene complex","","- C26 H19 F3 O3 P Rh -","- C26 H19 F3 O3 P Rh -","- C104 H76 F12 O12 P4 Rh4 -","4","1","","Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume","Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4772","4777","10.1039/d1dt00816a","","","1.54184","CuKα","","0.0281","0.027","","","0.0673","0.0683","","","","","","1.012","","","","has coordinates","266063","2021-06-05","18:47:29",""
"7706913","10.7553","0.0006","19.9389","0.0008","22.5989","0.0011","90","","90","","90","","4846.3","0.4","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C184 H352 Co4 N12 Si8 -","- C184 H352 Co4 N12 Si8 -","- C184 H352 Co4 N12 Si8 -","1","0.25","","Weller, Ruth; Müller, Igor; Duhayon, Carine; Sabo-Etienne, Sylviane; Bontemps, Sébastien; Werncke, C. Gunnar","Quasilinear 3d-metal(i) complexes [KM(N(Dipp)SiR<sub>3</sub>)<sub>2</sub>] (M = Cr-Co) - structural diversity, solution state behaviour and reactivity.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","4890","4903","10.1039/d1dt00121c","","x-ray","0.71073","MoKα","","0.0317","0.0286","","","0.072","0.0731","","","","","","1.041","","","","has coordinates","264903","2021-05-05","08:41:34",""
"7706949","8.6846","0.0002","11.2757","0.0003","28.9903","0.0006","90","","90","","90","","2838.87","0.12","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 B F5 O4 -","- C34 H28 B F5 O4 -","- C136 H112 B4 F20 O16 -","4","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5044","5049","10.1039/d1dt00842k","","x-ray","1.54184","CuKα","","0.0656","0.0437","","","0.0927","0.1009","","","","","","0.99","","","","has coordinates,has disorder","266059","2021-06-05","18:46:15",""
"7706951","10.0487","0.001","12.5685","0.0013","22.072","0.002","90","","90","","90","","2787.6","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H27 B F5 O3 P -","- C32 H27 B F5 O3 P -","- C128 H108 B4 F20 O12 P4 -","4","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Synthesis, structures and catalytic activity of some BINOL based boronates and boronium salts.","Dalton transactions (Cambridge, England : 2003)","2021","50","14","5044","5049","10.1039/d1dt00842k","","","0.71073","MoKα","","0.027","0.0257","","","0.0644","0.0653","","","","","","1.026","","","","has coordinates","266059","2021-06-05","18:46:15",""
"7706966","6.15132","0.00013","19.7189","0.0003","52.865","0.0009","90","","90","","90","","6412.4","0.2","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Co N3 O3 -","- C23 H26 Co N3 O3 -","- C276 H312 Co12 N36 O36 -","12","3","","Matveeva, Regina; Blasius, Clemens K.; Wadepohl, Hubert; Gade, Lutz H.","Reactivity of a T-shaped cobalt(I) pincer-complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","6802","6810","10.1039/d1dt00277e","","x-ray","1.54184","CuKα","K-L~2,3~","0.0818","0.0611","","","0.1108","0.119","","","","","","1.098","","","","has coordinates","266043","2021-06-05","18:42:15",""
"7707050","7.8674","0.0011","12.6283","0.0019","16.991","0.003","90","","90","","90","","1688.1","0.5","223","","223","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl Mn N3 O2 -","- C18 H17 Cl Mn N3 O2 -","- C72 H68 Cl4 Mn4 N12 O8 -","4","1","","Hara, Aoi; Kusumoto, Sotaro; Sekine, Yoshihiro; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","1D Mn(III) coordination polymers exhibiting chiral symmetry breaking and weak ferromagnetism.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5428","5432","10.1039/d1dt00569c","","x-ray","0.71073","MoKα","","0.1414","0.0701","","","0.1157","0.1391","","","","","","0.9422","","","","has coordinates","266030","2021-06-05","18:37:58",""
"7707051","7.9237","0.0004","12.7678","0.0005","17.3798","0.001","90","","90","","90","","1758.28","0.15","223","","223","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br Mn N3 O2 -","- C18 H17 Br Mn N3 O2 -","- C72 H68 Br4 Mn4 N12 O8 -","4","1","","Hara, Aoi; Kusumoto, Sotaro; Sekine, Yoshihiro; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","1D Mn(III) coordination polymers exhibiting chiral symmetry breaking and weak ferromagnetism.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5428","5432","10.1039/d1dt00569c","","x-ray","0.71073","MoKα","","0.0558","0.0418","","","0.0661","0.0691","","","","","","1.0272","","","","has coordinates","266030","2021-06-05","18:37:59",""
"7707052","7.8303","0.0003","12.6301","0.0006","17.0111","0.0009","90","","90","","90","","1682.35","0.14","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Cl Mn N3 O2 -","- C18 H17 Cl Mn N3 O2 -","- C72 H68 Cl4 Mn4 N12 O8 -","4","1","","Hara, Aoi; Kusumoto, Sotaro; Sekine, Yoshihiro; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","1D Mn(III) coordination polymers exhibiting chiral symmetry breaking and weak ferromagnetism.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5428","5432","10.1039/d1dt00569c","","x-ray","0.71073","MoKα","","0.0627","0.0456","","","0.0876","0.0937","","","","","","1.0078","","","","has coordinates","266030","2021-06-05","18:37:59",""
"7707053","9.5006","0.0004","10.4519","0.0004","17.3947","0.0006","90","","90","","90","","1727.28","0.11","223","","223","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 I Mn N3 O2 -","- C18 H17 I Mn N3 O2 -","- C72 H68 I4 Mn4 N12 O8 -","4","1","","Hara, Aoi; Kusumoto, Sotaro; Sekine, Yoshihiro; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","1D Mn(III) coordination polymers exhibiting chiral symmetry breaking and weak ferromagnetism.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5428","5432","10.1039/d1dt00569c","","x-ray","0.71073","MoKα","","0.0201","0.0191","","","0.049","0.0494","","","","","","1.0394","","","","has coordinates","266030","2021-06-05","18:37:59",""
"7707054","9.5303","0.0003","10.3905","0.0003","17.3403","0.0005","90","","90","","90","","1717.12","0.09","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 I Mn N3 O2 -","- C18 H17 I Mn N3 O2 -","- C72 H68 I4 Mn4 N12 O8 -","4","1","","Hara, Aoi; Kusumoto, Sotaro; Sekine, Yoshihiro; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","1D Mn(III) coordination polymers exhibiting chiral symmetry breaking and weak ferromagnetism.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5428","5432","10.1039/d1dt00569c","","x-ray","0.71073","MoKα","","0.0247","0.022","","","0.0416","0.0424","","","","","","1.037","","","","has coordinates","266030","2021-06-05","18:37:59",""
"7707055","7.8656","0.0007","12.7295","0.0006","17.3852","0.001","90","","90","","90","","1740.7","0.2","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br Mn N3 O2 -","- C18 H17 Br Mn N3 O2 -","- C72 H68 Br4 Mn4 N12 O8 -","4","1","","Hara, Aoi; Kusumoto, Sotaro; Sekine, Yoshihiro; Harrowfield, Jack; Kim, Yang; Hayami, Shinya; Nakamura, Masaaki","1D Mn(III) coordination polymers exhibiting chiral symmetry breaking and weak ferromagnetism.","Dalton transactions (Cambridge, England : 2003)","2021","50","16","5428","5432","10.1039/d1dt00569c","","x-ray","0.71073","MoKα","","0.0462","0.0392","","","0.0747","0.0767","","","","","","1.0455","","","","has coordinates","266030","2021-06-05","18:37:59",""
"7707159","12.07717","0.00009","23.7428","0.0002","24.7043","0.0002","90","","90","","90","","7083.86","0.1","149.99","0.1","149.99","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H89 Er F6 N8 O18 S2 -","- C53 H89 Er F6 N8 O18 S2 -","- C212 H356 Er4 F24 N32 O72 S8 -","4","1","","Golesorkhi, Bahman; Taarit, Inès; Bolvin, Hélène; Nozary, Homayoun; Jiménez, Juan-Ramón; Besnard, Céline; Guénée, Laure; Fürstenberg, Alexandre; Piguet, Claude","Molecular light-upconversion: we have had a problem! When excited state absorption (ESA) overcomes energy transfer upconversion (ETU) in Cr(III)/Er(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7955","7968","10.1039/d1dt01079d","","x-ray","1.54184","CuKα","","0.0399","0.0365","","","0.0932","0.0948","","","","","","1.039","","","","has coordinates,has disorder","267194","2021-07-05","17:44:15",""
"7707168","11.982","0.003","16.944","0.004","19.081","0.005","90","","90","","90","","3873.9","1.7","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Oz4b (Sreenath)","","","- C30 H37 Cl2 Cu2 N4 O16 -","- C30 H37 Cl2 Cu2 N4 O16 -","- C120 H148 Cl8 Cu8 N16 O64 -","4","1","","Pappuru, Sreenath; Idrees, Karam B.; Chen, Zhijie; Shpasser, Dina; Gazit, Oz M.","A rare 4-fold interpenetrated metal-organic framework constructed from an anionic indium-based node and a cationic dicopper linker.","Dalton transactions (Cambridge, England : 2003)","2021","50","19","6631","6636","10.1039/d1dt00764e","","","0.71073","MoKα","","0.1014","0.0707","","","0.1825","0.1952","","","","","","1.037","","","","has coordinates","266019","2021-06-05","18:35:33",""
"7707174","5.2548","0.0002","12.0864","0.0005","21.0937","0.001","90","","90","","90","","1339.69","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- F O15 Pb2 Se3 V3 -","- F O15 Pb2 Se3 V3 -","- F4 O60 Pb8 Se12 V12 -","4","1","","Lin, Lin; Jiang, Xingxing; Wu, Chao; Lin, Zheshuai; Huang, Zhipeng; Humphrey, Mark G.; Zhang, Chi","First chiral fluorinated lead vanadate selenite Pb<sub>2</sub>(V<sub>2</sub>O<sub>4</sub>F)(VO<sub>2</sub>)(SeO<sub>3</sub>)<sub>3</sub> with five asymmetric motifs and large optical properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7238","7245","10.1039/d1dt00536g","","","0.71073","MoKα","","0.0465","0.0347","","","0.0654","0.0687","","","","","","0.995","","","","has coordinates","266102","2021-06-05","19:00:34",""
"7707194","11.7462","0.0007","15.1861","0.0009","25.956","0.0016","90","","90","","90","","4630","0.5","290.9","0.4","290.9","0.4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(mu2-carbonatato)-diaqua-bis(1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-4-methyl-1,4-diazepane-N,N',N"")-di-nickel(II) diperchlorate acetone solvate dihydrate","(mu2-carbonatato)-diaqua-bis(1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-4-methyl-1,4-diazepane-N,N',N"")-di-nickel(II) diperchlorate acetone solvate dihydrate","","- C34 H64 Cl2 N6 Ni2 O18 -","- C34 H64 Cl2 N6 Ni2 O18 -","- C136 H256 Cl8 N24 Ni8 O72 -","4","1","","Muthuramalingam, Sethuraman; Velusamy, Marappan; Mayilmurugan, Ramasamy","Fixation of atmospheric CO<sub>2</sub> as C1-feedstock by nickel(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7984","7994","10.1039/d0dt03887c","","x-ray","0.71073","MoKα","","0.0648","0.0522","","","0.1178","0.1285","","","","","","1.006","","","","has coordinates,has disorder","267185","2021-07-05","17:41:54",""
"7707234","12.4748","0.0003","20.5322","0.0004","39.6202","0.0009","90","","90","","90","","10148.1","0.4","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C106 H144 B4 N8 O4 -","- C106 H144 B4 N8 O4 -","- C424 H576 B16 N32 O16 -","4","1","","Protchenko, Andrey V.; Fuentes, M Ángeles; Hicks, Jamie; McManus, Caitilín; Tirfoin, Rémi; Aldridge, Simon","Reactions of a diborylstannylene with CO<sub>2</sub> and N<sub>2</sub>O: diboration of carbon dioxide by a main group bis(boryl) complex.","Dalton transactions (Cambridge, England : 2003)","2021","50","26","9059","9067","10.1039/d1dt01216a","","","1.5418","CuKα","","0.0812","0.0714","","0.1889","0.1812","0.1889","","","","","","0.9963","","","","has coordinates,has disorder","268771","2021-09-06","11:14:30",""
"7707275","15","","15.36","","9.98","","90","","90","","90","","2299.39","","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O7 Zn -","- C21 H25 N3 O7 Zn -","- C84 H100 N12 O28 Zn4 -","4","1","","Rodríguez-Cid, Laura; Qian, Wenjie; Iribarra-Araya, Joseline; Etcheverry-Berríos, Álvaro; Martínez-Olmos, Eulalia; Choquesillo-Lazarte, Duane; Sañudo, Eva Carolina; Roubeau, Olivier; López-Periago, Ana María; González-Campo, Arántzazu; Planas, José G; Soler, Mònica; Domingo, Concepción; Aliaga-Alcalde, Núria","Broadening the scope of high structural dimensionality nanomaterials using pyridine-based curcuminoids.","Dalton transactions (Cambridge, England : 2003)","2021","50","20","7056","7064","10.1039/d1dt00708d","","","0.72929","Synchrotron","","0.029","0.0289","","","0.0745","0.0746","","","","","","1.146","","","","has coordinates","266040","2021-06-05","18:41:11",""
"7707319","11.0204","0.0004","15.539","0.0005","33.3517","0.0011","90","","90","","90","","5711.3","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 N6 O8 -","- C4 H6 N6 O8 -","- C96 H144 N144 O192 -","24","6","","Yang, Kaidi; Bi, Fuqiang; Xue, Qi; Huo, Huan; Bai, Chao; Zhang, Junlin; Wang, Bozhou","Synthesis and properties of azamonocyclic energetic materials with geminal explosophores.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8338","8348","10.1039/d1dt00581b","","","1.54178","CuKα","","0.0628","0.0582","","","0.1503","0.1553","","","","","","1.055","","","","has coordinates,has disorder","267139","2021-07-05","17:27:17",""
"7707339","5.0813","0.0001","12.249","0.0004","36.8728","0.0009","90","","90","","90","","2294.99","0.1","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(2,6-di(pyrazol-1-yl)pyridine)-4-carboxamido]ethyl (R)-lipoate (L2)","","- C22 H26 N6 O3 S2 -","- C22 H26 N6 O3 S2 -","- C88 H104 N24 O12 S8 -","4","1","","Capel Berdiell, Izar; García-López, Victor; Howard, Mark J.; Clemente-León, Miguel; Halcrow, Malcolm A.","The effect of tether groups on the spin states of iron(II)/bis[2,6-di(pyrazol-1-yl)pyridine] complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","21","7417","7426","10.1039/d1dt01076j","","x-ray","1.54184","CuKα","","0.0417","0.0371","","","0.0862","0.0892","","","","","","1.072","","","","has coordinates","266109","2021-06-05","19:02:35",""
"7707383","12.2007","0.0004","14.1881","0.0004","17.9562","0.0005","90","","90","","90","","3108.3","0.16","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H44 Be N2 -","- C37 H44 Be N2 -","- C148 H176 Be4 N8 -","4","1","","Paparo, Albert; Matthews, Aidan J. R.; Smith, Cory D.; Edwards, Alison J.; Yuvaraj, K.; Jones, Cameron","N-Heterocyclic carbene, carbodiphosphorane and diphosphine adducts of beryllium dihalides: synthesis, characterisation and reduction studies.","Dalton transactions (Cambridge, England : 2003)","2021","50","22","7604","7609","10.1039/d1dt01393a","","","0.71073","MoKα","","0.0429","0.0378","","","0.0926","0.0952","","","","","","1.021","","","","has coordinates","267150","2021-07-05","17:31:19",""
"7707450","7.7584","0.0003","11.326","0.0004","25.7631","0.001","90","","90","","90","","2263.85","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cu N6 O10 -","- C19 H22 Cu N6 O10 -","- C76 H88 Cu4 N24 O40 -","4","1","","Elamathi, C.; Butcher, R. J.; Mohankumar, A.; Sundararaj, P.; Elango, K. P.; Kalaivani, P.; Prabhakaran, R.","Dual sensing of methionine and aspartic acid in aqueous medium by a quinoline-based fluorescent probe.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8820","8830","10.1039/d1dt00648g","","","0.71073","MoKα","","0.0809","0.051","","","0.0893","0.1061","","","","","","1.056","","","","has coordinates,has disorder","267182","2021-07-05","17:39:49",""
"7707451","4.0975","0.0002","11.5751","0.0006","16.3426","0.0008","90","","90","","90","","775.11","0.07","90","","90","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H4 Br Cu I N -","- C5 H4 Br Cu I N -","- C20 H16 Br4 Cu4 I4 N4 -","4","1","","Masahara, Shingo; Yokoyama, Hiromichi; Suzaki, Yuji; Ide, Tomohito","Convenient synthesis of copper(I) halide quasi-one-dimensional coordination polymers: their structures and solid-state luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8889","8898","10.1039/d1dt01571k","","x-ray","1.54184","CuKα","","0.0319","0.0315","","","0.0789","0.0792","","","","","","1.065","","","","has coordinates","267179","2021-07-05","17:39:01",""
"7707483","12.7877","0.0007","18.021","0.0009","23.464","0.0013","90","","90","","90","","5407.2","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H79 Ga N5 Na O7 Si -","- C51 H79 Ga N5 Na O7 Si -","- C204 H316 Ga4 N20 Na4 O28 Si4 -","4","1","","Dodonov, Vladimir A.; Kushnerova, Olga A.; Baranov, Evgeny V.; Novikov, Alexander S.; Fedushkin, Igor L.","Activation and modification of carbon dioxide by redox-active low-valent gallium species.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8899","8906","10.1039/d1dt01199e","","","0.71073","MoKα","","0.078","0.0484","","","0.0852","0.0945","","","","","","1.031","","","","has coordinates","287906","2023-11-30","18:39:50",""
"7707490","10.6678","0.0002","18.2211","0.0004","46.7278","0.0008","90","","90","","90","","9082.9","0.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C118.5 H75 Cl3 Ir3 N9 O6 -","- C118.501 H75.002 Cl3.002 Ir3 N9 O6 -","- C474.004 H300.008 Cl12.008 Ir12 N36 O24 -","4","1","","Jinsenji, Yoshiki; Takimoto, Kazuyoshi; Yoshida, Jun; Mori, Shigeki; Watanabe, Yutaka; Sato, Hisako","Effects of geometrical isomerism on emissive behaviour of heteroleptic cyclometalated Ir(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8506","8511","10.1039/d1dt00783a","","","0.71073","MoKα","","0.0821","0.0607","","","0.1021","0.1098","","","","","","1.032","","","","has coordinates,has disorder","267141","2021-07-05","17:28:02",""
"7707501","8.1677","0.0002","12.8522","0.0004","40.6365","0.0016","90","","90","","90","","4265.7","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C52 H55 Al N2 -","- C52 H55 Al N2 -","- C208 H220 Al4 N8 -","4","1","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","1.54184","CuKα","","0.0785","0.0584","","","0.139","0.1578","","","","","","1.039","","","","has coordinates,has disorder","267144","2021-07-05","17:29:02",""
"7707507","19.7757","0.0002","14.2425","0.0002","7.5367","0.0001","90","","90","","90","","2122.75","0.05","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 Al Cl N2 -","- C19 H32 Al Cl N2 -","- C76 H128 Al4 Cl4 N8 -","4","1","","Dehmel, Maximilian; Köhler, Angelina; Görls, Helmar; Kretschmer, Robert","Synthesis, characterization, and reactivity of group 13 hydride complexes based on amido-amine ligands.","Dalton transactions (Cambridge, England : 2003)","2021","50","24","8434","8445","10.1039/d1dt01454d","","","1.54184","CuKα","","0.0622","0.0601","","","0.1827","0.185","","","","","","1.101","","","","has coordinates,has disorder","267144","2021-07-05","17:29:02",""
"7707533","10.0122","0.0003","13.875","0.0004","27.4999","0.001","90","","90","","90","","3820.3","0.2","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Cl F N2 Pt -","- C23 H20 Cl F N2 Pt -","- C184 H160 Cl8 F8 N16 Pt8 -","8","2","","Yang, Qian-Ying; Zhang, Hua-Hong; Qi, Xiao-Wei; Sun, Shi-Shu; Zhang, Da-Shuai; Han, Li-Zhi; Zhang, Xiao-Peng; Shi, Zai-Feng","Mechanochromic luminescence properties of fluoro-substituted pinene-containing cyclometalated platinum(II) complexes with multiple triplet excited states.","Dalton transactions (Cambridge, England : 2003)","2021","50","25","8938","8946","10.1039/d1dt00848j","","","0.71073","MoKα","","0.0347","0.0288","","","0.0494","0.0517","","","","","","1.033","","","","has coordinates","267166","2021-07-05","17:36:13",""
"7707565","8.79","0.0001","13.13","0.0002","17.9482","0.0002","90","","90","","90","","2071.45","0.05","93.15","","93.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 Cl N4 Rh -","- C20 H30 Cl N4 Rh -","- C80 H120 Cl4 N16 Rh4 -","4","1","","Pal, Shrinwantu; Iwasaki, Takanori; Nozaki, Kyoko","Metal-ligand cooperative κ<sup>1</sup>-<i>N</i>-pyrazolate Cp*Rh<sup>III</sup>-catalysts for dehydrogenation of dimethylamine-borane at room temperature.","Dalton transactions (Cambridge, England : 2003)","2021","50","23","7938","7943","10.1039/d1dt01705e","","x-ray","0.71073","MoKα","","0.0186","0.0185","","","0.0493","0.0493","","","","","","1.07","","","","has coordinates","267202","2021-07-05","17:45:35",""
"7707638","8.066","0.0016","19.896","0.004","20.237","0.004","90","","90","","90","","3247.7","1.1","200","","200","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","WF067","","- C35 H28 Au F3 N4 O3 S -","- C35 H28 Au F3 N4 O3 S -","- C140 H112 Au4 F12 N16 O12 S4 -","4","1","","Feuerstein, Wolfram; Breher, Frank","Non-palindromic (C^C^D) gold(III) pincer complexes are not accessible by intramolecular oxidative addition of biphenylenes - an experimental and quantum chemical study.","Dalton transactions (Cambridge, England : 2003)","2021","50","28","9754","9767","10.1039/d1dt00953b","","","0.71073","MoKα","","0.0523","0.0436","","","0.0983","0.1105","","","","","","1.194","","","","has coordinates","268711","2021-09-06","10:54:46",""
"7707700","9.9908","0.0006","12.7225","0.0007","29.7257","0.0018","90","","90","","90","","3778.4","0.4","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H56 Al Cl N2 O2 -","- C42 H56 Al Cl N2 O2 -","- C168 H224 Al4 Cl4 N8 O8 -","4","1","","Laiwattanapaisarn, Nattiya; Virachotikul, Arnut; Phomphrai, Khamphee","Cycloaddition of carbon dioxide to epoxides by highly active constrained aluminum chloride complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11039","11048","10.1039/d1dt01903a","","x-ray","0.71073","MoKα","","0.0343","0.0314","","","0.0785","0.08","","","","","","1.057","","","","has coordinates","268744","2021-09-06","11:06:14",""
"7707770","7.1151","0.0011","15.212","0.003","16.066","0.003","90","","90","","90","","1738.9","0.5","95","2","95","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Al O S -","- C20 H21 Al O S -","- C80 H84 Al4 O4 S4 -","4","1","","Drescher, Regina; Wüst, Leonie; Mihm, Cornelius; Krummenacher, Ivo; Hofmann, Alexander; Goettel, James; Braunschweig, Holger","Synthesis, structure and insertion reactivity of Lewis acidic 9-aluminafluorenes.","Dalton transactions (Cambridge, England : 2003)","2021","50","30","10400","10404","10.1039/d1dt01897c","","","0.71073","MoKα","","0.0658","0.0425","","","0.0928","0.1023","","","","","","0.966","","","","has coordinates","268777","2021-09-06","11:17:24",""
"7707826","6.1731","0.0002","9.1085","0.0003","37.2539","0.0012","90","","90","","90","","2094.7","0.12","120","2","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 N5 O2 -","- C26 H21 N5 O2 -","- C104 H84 N20 O8 -","4","1","","Zivkovic, Kristina; Baldauf, Lilia M.; Cryder, Jessica L.; Villaseñor, Alexa; Reyes, Valeria; Bernier, Lauren E.; Thomas, Theresa J.; O'Toole, Maxwell; Fulton, Kayleen; Moore, Curtis E.; Rheingold, Arnold L.; Daley, Christopher J. A.","Chiral tridentate bis(oxazol-2-ylimino) isoindoline-based pincer ligands: isolation and characterization <i>via</i> deligation from <i>in situ</i> prepared Cd-ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","29","10041","10049","10.1039/d0dt02531c","","","1.54178","CuKα","","0.0591","0.0533","","","0.1262","0.1293","","","","","","1.098","","","","has coordinates","268702","2021-09-06","10:52:27",""
"7707872","14.8454","0.001","17.4775","0.0011","19.4608","0.0013","90","","90","","90","","5049.3","0.6","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H49 Fe K N5 O3 P3 -","- C49 H49 Fe K N5 O3 P3 -","- C196 H196 Fe4 K4 N20 O12 P12 -","4","1","","Sun, Chen; Oswald, Victoria F.; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Investigation of iron-ammine and amido complexes within a C<sub>3</sub>-symmetrical phosphinic amido tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11197","11205","10.1039/d1dt01032h","","","0.71073","MoKα","","0.0546","0.0426","","","0.0945","0.0994","","","","","","1.036","","","","has coordinates,has disorder","268741","2021-09-06","11:05:25",""
"7707881","15.701","0.002","21.472","0.003","27.809","0.004","90","","90","","90","","9375","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H99 Eu2 N25 O28 Zn3 -","- C72 H99 Eu2 N25 O28 Zn3 -","- C288 H396 Eu8 N100 O112 Zn12 -","4","1","","Gao, Wei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Multifunctional Zn-Ln (Ln = Eu and Tb) heterometallic metal-organic frameworks with highly efficient I<sub>2</sub> capture, dye adsorption, luminescence sensing and white-light emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11619","11630","10.1039/d1dt01968f","","","0.71073","MoKα","","0.0582","0.0487","","","0.126","0.1324","","","","","","1.047","","","","has coordinates","268750","2021-09-06","11:08:16",""
"7707882","15.6906","0.0014","21.477","0.0018","27.783","0.002","90","","90","","90","","9362.5","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H99 N25 O28 Tb2 Zn3 -","- C72 H99 N25 O28 Tb2 Zn3 -","- C288 H396 N100 O112 Tb8 Zn12 -","4","1","","Gao, Wei; Wei, Han; Wang, Cui-Li; Liu, Jie-Ping; Zhang, Xiu-Mei","Multifunctional Zn-Ln (Ln = Eu and Tb) heterometallic metal-organic frameworks with highly efficient I<sub>2</sub> capture, dye adsorption, luminescence sensing and white-light emission.","Dalton transactions (Cambridge, England : 2003)","2021","50","33","11619","11630","10.1039/d1dt01968f","","","0.71073","MoKα","","0.0649","0.0502","","","0.1291","0.1414","","","","","","0.952","","","","has coordinates","268750","2021-09-06","11:08:16",""
"7707899","9.75","0.003","15.312","0.005","45.002","0.011","90","","90","","90","","6718","3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 Li N O2 Si -","- C38 H48 Li N O2 Si -","- C304 H384 Li8 N8 O16 Si8 -","8","2","","Weller, Ruth; Ruppach, Lutz; Shlyaykher, Alena; Tambornino, Frank; Werncke, C. Gunnar","Homoleptic quasilinear metal(i/ii) silylamides of Cr-Co with phenyl and allyl functions - impact of the oxidation state on secondary ligand interactions.","Dalton transactions (Cambridge, England : 2003)","2021","50","31","10947","10963","10.1039/d1dt01543e","","x-ray","0.71073","MoKα","","0.0459","0.0405","","","0.095","0.0975","","","","","","1.073","","","","has coordinates,has disorder","268799","2021-09-06","11:25:02",""
"7707944","8.1204","0.0005","14.6197","0.0012","22.6698","0.0014","90","","90","","90","","2691.3","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N O5 Ru S2 -","- C18 H22 N O5 Ru S2 -","- C72 H88 N4 O20 Ru4 S8 -","4","1","","Dhara, Suman; Panda, Sanjib; Lahiri, Goutam Kumar","Redox induced S-S bond cleavage of 2,2'-dithiobisbenzothiazole - leading to a [2Ru-2S] core analogous to [2Fe-2S] cluster.","Dalton transactions (Cambridge, England : 2003)","2021","50","36","12408","12412","10.1039/d1dt02211c","","x-ray","1.54184","CuKα","","0.0954","0.0718","","","0.1744","0.1955","","","","","","1.007","","","","has coordinates","269721","2021-10-06","15:39:46",""
"7708006","7.6031","0.0004","16.8736","0.0006","18.7628","0.0008","90","","90","","90","","2407.11","0.18","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 Cu N2 O2 -","- C24 H32 Cu N2 O2 -","- C96 H128 Cu4 N8 O8 -","4","1","","Devonport, Jack; Spencer, John; Kostakis, George E.","Breaking the symmetry: <i>C</i><sub>1</sub>-salans with (N-H) backbones.","Dalton transactions (Cambridge, England : 2003)","2021","50","35","12069","12073","10.1039/d1dt01950c","","x-ray","1.54184","CuKα","","0.0386","0.0351","","","0.0915","0.0937","","","","","","1.032","","","","has coordinates","269735","2021-10-06","15:44:00",""
"7708019","9.4978","0.0002","17.5189","0.0004","26.3589","0.0008","90","","90","","90","","4385.88","0.19","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","2Ph","","- C44 H47 Cl2 F3 N3 O3 S Sb -","- C44 H47 Cl2 F3 N3 O3 S Sb -","- C176 H188 Cl8 F12 N12 O12 S4 Sb4 -","4","1","","Tidwell, John R.; Dutton, Jason L.; Martin, Caleb D.","Antimony diiminopyridine complexes","Dalton Transactions","2021","50","34","11716","11719","10.1039/D1DT02085D","","","0.71073","MoKα","","0.0429","0.0406","","","0.1042","0.1054","","","","","","1.132","","","","has coordinates,has disorder","268814","2021-09-06","11:30:54",""
"7708026","7.5642","0.0005","9.5549","0.0006","28.5373","0.0019","90","","90","","90","","2062.5","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 B F2 N O -","- C26 H26 B F2 N O -","- C104 H104 B4 F8 N4 O4 -","4","1","","Duan, Wen-zeng; Ji, Honghan; Yang, Zeren; Yao, Qingxia; Huo, Yanmin; Ren, Xuerui; Zhao, Jiaojiao; Gong, Shuwen","Planar chiral [2.2]paracyclophanyl-based boron fluoride complexes: synthesis, crystal structure and photophysical properties","Dalton Transactions","2021","","","","","10.1039/D1DT02231H","","","1.54184","CuKα","","0.0669","0.0484","","","0.1078","0.1233","","","","","","1.035","","","","has coordinates","268040","2021-08-11","23:09:55",""
"7708027","9.9238","0.0006","12.6103","0.0008","16.1717","0.0011","90","","90","","90","","2023.8","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 B F2 N O -","- C25 H24 B F2 N O -","- C100 H96 B4 F8 N4 O4 -","4","1","","Duan, Wen-zeng; Ji, Honghan; Yang, Zeren; Yao, Qingxia; Huo, Yanmin; Ren, Xuerui; Zhao, Jiaojiao; Gong, Shuwen","Planar chiral [2.2]paracyclophanyl-based boron fluoride complexes: synthesis, crystal structure and photophysical properties","Dalton Transactions","2021","","","","","10.1039/D1DT02231H","","","1.54184","CuKα","","0.0677","0.047","","","0.108","0.1238","","","","","","1.053","","","","has coordinates","268040","2021-08-11","23:09:57",""
"7708028","11.244","0.0008","11.5352","0.0006","15.7945","0.0011","90","","90","","90","","2048.6","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 B F N O2 -","- C24 H29 B F N O2 -","- C96 H116 B4 F4 N4 O8 -","4","1","","Duan, Wen-zeng; Ji, Honghan; Yang, Zeren; Yao, Qingxia; Huo, Yanmin; Ren, Xuerui; Zhao, Jiaojiao; Gong, Shuwen","Planar chiral [2.2]paracyclophanyl-based boron fluoride complexes: synthesis, crystal structure and photophysical properties","Dalton Transactions","2021","","","","","10.1039/D1DT02231H","","","1.54184","CuKα","","0.0565","0.0446","","","0.0964","0.1043","","","","","","1.008","","","","has coordinates","268040","2021-08-11","23:09:59",""
"7708029","9.9193","0.0011","12.6175","0.0011","16.173","0.0015","90","","90","","90","","2024.2","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 B F2 N O -","- C25 H24 B F2 N O -","- C100 H96 B4 F8 N4 O4 -","4","1","","Duan, Wen-zeng; Ji, Honghan; Yang, Zeren; Yao, Qingxia; Huo, Yanmin; Ren, Xuerui; Zhao, Jiaojiao; Gong, Shuwen","Planar chiral [2.2]paracyclophanyl-based boron fluoride complexes: synthesis, crystal structure and photophysical properties","Dalton Transactions","2021","","","","","10.1039/D1DT02231H","","","1.54184","CuKα","","0.0784","0.0524","","","0.113","0.131","","","","","","1.027","","","","has coordinates","268040","2021-08-11","23:10:01",""
"7708115","3.8466","0.0002","15.6309","0.0006","20.3882","0.0008","90","","90","","90","","1225.86","0.09","106","2","105.82","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H10 N2 O2 -","- C17 H10 N2 O2 -","- C68 H40 N8 O8 -","4","1","","Matos, Catiúcia R M O; Sanii, Rana; Wang, Shi-Qiang; Ronconi, Célia M; Zaworotko, Michael J.","Reversible single-crystal to single-crystal phase transformation between a new Werner clathrate and its apohost.","Dalton transactions (Cambridge, England : 2003)","2021","50","37","12923","12930","10.1039/d1dt01839f","","","0.71073","MoKα","","0.0308","0.0295","","","0.0771","0.0779","","","","","","1.086","","","","has coordinates","269708","2021-10-06","15:33:16",""
"7708245","8.1592","0.0003","13.8664","0.0005","14.1626","0.0005","90","","90","","90","","1602.34","0.1","150","2","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 N2 O2 Sn -","- C12 H28 N2 O2 Sn -","- C48 H112 N8 O8 Sn4 -","4","1","","Johnson, Andrew Lee; Paish, James David; Snook, Michael","Evaluation of Sn(II) Aminoalkoxide Precursors for Atomic Layer Deposition of SnO Thin Films. Invitation: Dalton Transactions web collection themed around the topic of tin chemistry","Dalton Transactions","2021","","","","","10.1039/D1DT02480A","","x-ray","0.71073","MoKα","","0.0283","0.0252","","","0.0422","0.043","","","","","","1.051","","","","has coordinates","269053","2021-09-08","22:55:50",""
"7708334","10.756","0.003","15.008","0.004","17.229","0.005","90","","90","","90","","2781.2","1.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 B2 Li2 N6 O2 -","- C26 H32 B2 Li2 N6 O2 -","- C104 H128 B8 Li8 N24 O8 -","4","1","","Uzelac, Marina; Yuan, Kang; Nichol, Gary Stephen; Ingleson, Michael James","Formation of a hydride containing amido-zincate using pinacolborane","Dalton Transactions","2021","","","","","10.1039/D1DT02580E","","","0.6889","synchrotron","","0.0882","0.0584","","","0.1251","0.1425","","","","","","1.086","","","","has coordinates","269199","2021-09-17","23:10:03",""
"7708431","10.0346","0.0004","16.8085","0.0007","17.3076","0.0006","90","","90","","90","","2919.2","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 Cl N3 O2 V -","- C31 H36 Cl N3 O2 V -","- C124 H144 Cl4 N12 O8 V4 -","4","1","","Wu, Ruiyao; Niu, Zhen; Huang, Lingyun; Yang, Yinxin; Xia, Zhu; Fan, Weifeng; Dai, Quanquan; Cui, Long; He, Jianyun; Bai, Chenxi","Thermally stable vanadium complexes supported by the iminophenyl oxazolinylphenylamines ligands: Synthesis, characterization and application for ethylene (co-)polymerization","Dalton Transactions","2021","","","","","10.1039/D1DT03004C","","","0.71073","MoKα","","0.0479","0.0366","","","0.088","0.0953","","","","","","1.011","","","","has coordinates","269315","2021-09-26","22:52:46",""
"7708432","9.6136","0.0005","16.7986","0.001","17.1214","0.0008","90","","90","","90","","2765","0.3","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 Cl N3 O2 V -","- C29 H32 Cl N3 O2 V -","- C116 H128 Cl4 N12 O8 V4 -","4","1","","Wu, Ruiyao; Niu, Zhen; Huang, Lingyun; Yang, Yinxin; Xia, Zhu; Fan, Weifeng; Dai, Quanquan; Cui, Long; He, Jianyun; Bai, Chenxi","Thermally stable vanadium complexes supported by the iminophenyl oxazolinylphenylamines ligands: Synthesis, characterization and application for ethylene (co-)polymerization","Dalton Transactions","2021","","","","","10.1039/D1DT03004C","","","0.71073","MoKα","","0.0566","0.0435","","","0.1043","0.1141","","","","","","1.037","","","","has coordinates","269315","2021-09-26","22:52:47",""
"7708458","9.0942","0.0002","21.9908","0.0005","30.83","0.008","90","","90","","90","","6165.7","1.6","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C20 H92 Cl4 Co2 N8 O30 Pd2 Pt2 S4 -","- C20 H60 Cl4 Co2 N8 O14 Pd2 Pt2 S4 -","- C80 H240 Cl16 Co8 N32 O56 Pd8 Pt8 S16 -","4","1","","San Esteban, Anna Carissa M.; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi","A chromotropic PtIIPdIICoII coordination polymer with dual electrocatalytic activity for water reduction and oxidation","Dalton Transactions","2021","","","","","10.1039/D1DT02587B","","x-ray","0.71073","MoKα","","0.0601","0.041","","","0.0914","0.0973","","","","","","1.042","","","","has coordinates","269379","2021-09-29","23:07:19",""
"7708459","9.25625","0.00005","21.99085","0.00011","30.87849","0.00016","90","","90","","90","","6285.4","0.06","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C20 H92 Br4 Co2 N8 O30 Pd2 Pt2 S4 -","- C20 H60 Br4 Co2 N8 O14 Pd2 Pt2 S4 -","- C80 H240 Br16 Co8 N32 O56 Pd8 Pt8 S16 -","4","1","","San Esteban, Anna Carissa M.; Kuwamura, Naoto; Yoshinari, Nobuto; Konno, Takumi","A chromotropic PtIIPdIICoII coordination polymer with dual electrocatalytic activity for water reduction and oxidation","Dalton Transactions","2021","","","","","10.1039/D1DT02587B","","","0.4125","synchrotron","","0.0414","0.0394","","","0.1027","0.1041","","","","","","1.049","","","","has coordinates,has disorder","269379","2021-09-29","23:07:19",""
"7708555","13.7278","0.0005","19.6616","0.0009","21.5689","0.0008","90","","90","","90","","5821.7","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 Ba5 Br10 F20 O27 -","- C20 Ba5 Br10 F20 O27 -","- C80 Ba20 Br40 F80 O108 -","4","1","","Dhanapala, B. Dulani; Munasinghe, Hashini N.; Dissanayake, K. Tauni; Suescun, Leopoldo; Rabuffetti, Federico A.","Expanding the synthetic toolbox to access pristine and rare-earth-doped BaFBr nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02694a","","","0.71073","MoKα","","0.0496","0.038","","","0.0752","0.0786","","","","","","1.045","","","","has coordinates,has disorder","269956","2021-10-14","23:02:38",""
"7708636","6.853","0.0004","10.6283","0.0006","21.8157","0.0013","90","","90","","90","","1588.96","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O4 Ru -","- C15 H22 N2 O4 Ru -","- C60 H88 N8 O16 Ru4 -","4","1","","Biancalana, Lorenzo; Zanda, Emanuele; Hadiji, Mouna; Zacchini, Stefano; Pratesi, Alessandro; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Role of the (pseudo)halido ligand in ruthenium(II) <i>p</i>-cymene α-amino acid complexes in speciation, protein reactivity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03274g","","","0.71073","MoKα","","0.0141","0.0141","","","0.0352","0.0352","","","","","","1.157","","","","has coordinates","270127","2021-10-28","23:52:12",""
"7708638","7.1174","0.0003","9.9265","0.0004","23.0044","0.001","90","","90","","90","","1625.28","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N4 O3 Ru -","- C15 H22 N4 O3 Ru -","- C60 H88 N16 O12 Ru4 -","4","1","","Biancalana, Lorenzo; Zanda, Emanuele; Hadiji, Mouna; Zacchini, Stefano; Pratesi, Alessandro; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Role of the (pseudo)halido ligand in ruthenium(II) <i>p</i>-cymene α-amino acid complexes in speciation, protein reactivity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03274g","","","0.71073","MoKα","","0.016","0.015","","","0.0372","0.0374","","","","","","1.123","","","","has coordinates","270127","2021-10-28","23:52:13",""
"7708640","10.4798","0.0007","11.7879","0.0008","13.2428","0.001","90","","90","","90","","1635.9","0.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 I N O3 Ru -","- C15 H22 I N O3 Ru -","- C60 H88 I4 N4 O12 Ru4 -","4","1","","Biancalana, Lorenzo; Zanda, Emanuele; Hadiji, Mouna; Zacchini, Stefano; Pratesi, Alessandro; Pampaloni, Guido; Dyson, Paul J.; Marchetti, Fabio","Role of the (pseudo)halido ligand in ruthenium(II) <i>p</i>-cymene α-amino acid complexes in speciation, protein reactivity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt03274g","","","0.71073","MoKα","","0.048","0.048","","","0.1324","0.1324","","","","","","1.395","","","","has coordinates","270127","2021-10-28","23:52:13",""
"7708645","9.0993","0.0007","11.0707","0.0009","34.352","0.003","90","","90","","90","","3460.5","0.5","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H42 P2 S2 -","- C39 H42 P2 S2 -","- C156 H168 P8 S8 -","4","1","","Schulz, Axel; Szych, Lilian; Pilopp, Yannic; Bresien, Jonas; Villinger, Alexander; Lüdtke, Karsten Paul","On the Reaction of Potassium Phosphide KP(iPr)Ter with Chalcogenes, Heteroallenes and Acyl Chloride","Dalton Transactions","2021","","","","","10.1039/D1DT03400F","","","0.71073","MoKα","","0.0897","0.0586","","","0.1231","0.1393","","","","","","1.017","","","","has coordinates","270169","2021-10-29","22:58:17",""
"7708686","19.764","0.0003","19.7573","0.0003","22.6092","0.0004","90","","90","","90","","8828.5","0.2","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H44 Cu F6 N2 O P3 -","- C51 H44 Cu F6 N2 O P3 -","- C408 H352 Cu8 F48 N16 O8 P24 -","8","2","","Meyer, Marco; Mardegan, Lorenzo; Tordera, Daniel; Prescimone, Alessandro; Sessolo, Michele; Bolink, Henk J.; Constable, Edwin C.; Housecroft, Catherine E.","A counterion study of a series of [Cu(P^P)(N^N)][A] compounds with bis(phosphane) and 6-methyl and 6,6'-dimethyl-substituted 2,2'-bipyridine ligands for light-emitting electrochemical cells","Dalton Transactions","2021","","","","","10.1039/D1DT03239A","","x-ray","1.34143","GaKα","","0.1002","0.067","","","0.1495","0.1668","","","","","","1.022","","","","has coordinates","270220","2021-11-03","00:04:14",""
"7708718","6.9346","0.0016","25.153","0.013","28.98","0.02","90","","90","","90","","5055","5","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.0734","0.1125","","","0.2978","0.3413","","","","","","1.397","","","","has coordinates","270317","2021-11-05","00:06:17",""
"7708719","6.513","0.009","25.67","0.03","27.96","0.07","90","","90","","90","","4675","14","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.2106","0.1431","","","0.343","0.4045","","","","","","1.067","","","","has coordinates","270317","2021-11-05","00:06:32",""
"7708720","6.555","0.008","25.56","0.03","28.14","0.07","90","","90","","90","","4715","14","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H26 F6 N2 O4 S2 Zn -","- C156 H104 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.1988","0.1498","","","0.3469","0.3943","","","","","","1.096","","","","has coordinates","270317","2021-11-05","00:06:32",""
"7708721","7.007","0.006","25.17","0.015","28.46","0.19","90","","90","","90","","5019","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","","0.71073","MoKα","","0.1766","0.1234","","","0.284","0.338","","","","","","1.074","","","","has coordinates","270317","2021-11-05","00:06:32",""
"7708722","6.881","0.009","25.14","0.03","28.2","0.3","90","","90","","90","","4878","5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","","0.71073","MoKα","","0.2365","0.1387","","","0.3305","0.4268","","","","","","1.029","","","","has coordinates","270317","2021-11-05","00:06:32",""
"7708723","6.638","0.006","25.42","0.03","28.23","0.08","90","","90","","90","","4763","15","571","2","571.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.1569","0.1168","","","0.2985","0.3456","","","","","","1.176","","","","has coordinates","270317","2021-11-05","00:06:32",""
"7708724","6.89","0.003","25.19","0.02","28.95","0.03","90","","90","","90","","5025","7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.2676","0.0974","","","0.1962","0.2827","","","","","","0.915","","","","has coordinates","270317","2021-11-05","00:06:33",""
"7708725","7.033","0.003","25.167","0.015","29","0.04","90","","90","","90","","5133","8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.1849","0.1196","","","0.3102","0.3718","","","","","","1.18","","","","has coordinates","270317","2021-11-05","00:06:33",""
"7708726","6.8072","0.0017","25.266","0.016","28.63","0.03","90","","90","","90","","4924","6","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.203","0.1273","","","0.3142","0.3895","","","","","","1.227","","","","has coordinates","270317","2021-11-05","00:06:33",""
"7708727","6.73","0.002","25.256","0.015","28.79","0.04","90","","90","","90","","4894","8","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DMOF","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C39 H24 F6 N2 O4 S2 Zn -","- C39 H24 F6 N2 O4 S2 Zn -","- C156 H96 F24 N8 O16 S8 Zn4 -","4","1","","Półrolniczak, Aleksandra; Sobczak, Szymon; Nikolayenko, Varvara; Barbour, Len; Katrusiak, Andrzej","Solvent-controlled elongation and mechanochemical strain in a metal-organic framework","Dalton Transactions","2021","","","","","10.1039/D1DT01937F","","x-ray","0.71073","MoKα","","0.2405","0.1161","","","0.277","0.369","","","","","","1.028","","","","has coordinates","270317","2021-11-05","00:06:33",""
"7708774","16.2048","0.0005","22.1257","0.0006","22.36","0.0006","90","","90","","90","","8017","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 Cu2 N8 O9 -","- C38 H36 Cu2 N8 O9 -","- C304 H288 Cu16 N64 O72 -","8","2","","Lahiri, Goutam Kumar; Panda, Sanjib; Baliyan, Rupal; Dhara, Suman; Huang, Kuo-Wei","Redox induced oxidative C-C coupling of non-innocent bis(heterocyclo)methanides","Dalton Transactions","2021","","","","","10.1039/D1DT03310G","","x-ray","0.71073","MoKα","","0.0921","0.0675","","","0.145","0.1653","","","","","","1.03","","","","has coordinates","270588","2021-11-11","00:00:41",""
"7708800","6.5523","0.0002","10.7066","0.0004","15.8675","0.0005","90","","90","","90","","1113.15","0.06","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H2 K N5 O3 -","- C9 H2 K N5 O3 -","- C36 H8 K4 N20 O12 -","4","1","","Nimax, Patrick; Rotthowe, Nils; Zoller, Florian; Blockhaus, Tobias; Wagner, Friedrich Ernst; Fattakhova-Rohlfing, Dina; Sünkel, Karlheinz","Coordination polymers of 5-substituted 1,2,3,4-tetracyanocyclopentadienides: structural and electrochemical properties of complex compounds of 5-amino- and 5-nitro-tetracyanocyclopentadienide","Dalton Transactions","2021","","","","","10.1039/D1DT02866A","","","0.71073","MoKα","","0.0278","0.0256","","","0.0641","0.0657","","","","","","1.073","","","","has coordinates,has disorder","270610","2021-11-12","00:03:46",""
"7708823","8.8817","0.0005","10.4187","0.0006","18.1622","0.001","90","","90","","90","","1680.65","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","K[Ge(OtBu)3]","(Tri-tert-butoxygermyl)potassium","","- C12 H27 Ge K O3 -","- C12 H27 Ge K O3 -","- C48 H108 Ge4 K4 O12 -","4","1","","Sinclair, Jocelyn; Medroa Del Pino, William; Aku-Dominguez, Kwami; Minami, Yohei; Kiran, Anagha; Ferguson, Michael J.; Yasuda, Makoto; Rivard, Eric","Access to metastable [GeH2]n materials via a molecular “bottom-up” approach","Dalton Transactions","2021","","","","","10.1039/D1DT02850B","","","1.54178","CuKα","","0.0404","0.0342","","","0.0794","0.082","","","","","","1.008","","","","has coordinates,has disorder","270670","2021-11-16","00:10:01",""
"7708828","10.4115","0.0002","11.7529","0.0002","31.8349","0.0005","90","","90","","90","","3895.49","0.12","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 N O4 -","- C41 H59 N O4 -","- C164 H236 N4 O16 -","4","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","","1.54178","CuKα","","0.0583","0.0567","","","0.1615","0.1632","","","","","","1.087","","","","has coordinates,has disorder","270672","2021-11-16","00:13:32",""
"7708829","9.0824","0.0001","11.7694","0.0002","31.5208","0.0005","90","","90","","90","","3369.4","0.09","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H55 N O4 -","- C35 H55 N O4 -","- C140 H220 N4 O16 -","4","1","","Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.","Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts","Dalton Transactions","2021","","","","","10.1039/D1DT03068J","","x-ray","1.54178","CuKα","","0.0265","0.0262","","","0.0693","0.0696","","","","","","1.036","","","","has coordinates","270672","2021-11-16","00:13:33",""
"7708847","11.8658","0.0005","11.9078","0.0005","12.7241","0.0005","90","","90","","90","","1797.86","0.13","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 Cl O Pb -","- C20 H19 Cl O Pb -","- C80 H76 Cl4 O4 Pb4 -","4","1","","Ornelas, Alfredo; Arias-Ugarte, Renzo; Metta-Magaña, Alejandro J; Sharma, Hemant K.; Pannell, Keith H.","Hypercoordinated eka-tin materials with dangling aryl-methoxy and -methylthio ligands exhibiting intramolecular secondary bonding and aryl bond stabilization in reactions with organotin chlorides.","Dalton transactions (Cambridge, England : 2003)","2021","50","44","16084","16091","10.1039/d1dt02781f","","","0.71073","MoKα","","0.0234","0.0209","","","0.0396","0.0401","","","","","","0.997","","","","has coordinates","270704","2021-11-17","00:07:32",""
"7708852","10.5334","0.0009","16.7794","0.0015","54.962","0.005","90","","90","","90","","9714.2","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H78 N4 P2 Si4 Sn2 -","- C37 H78 N4 P2 Si4 Sn2 -","- C296 H624 N32 P16 Si32 Sn16 -","8","2","","Cabeza, Javier A.; Fernández, Israel; García-Álvarez, Pablo; García-Soriano, Rubén; Laglera-Gándara, Carlos J; Toral, Rubén","Stannylenes based on pyrrole-phosphane and dipyrromethane-diphosphane scaffolds: syntheses and behavior as precursors to PSnP pincer palladium(II), palladium(0) and gold(I) complexes.","Dalton transactions (Cambridge, England : 2003)","2021","50","44","16122","16132","10.1039/d1dt02967c","","","0.71073","MoKα","","0.1188","0.0935","","","0.2245","0.243","","","","","","1.06","","","","has coordinates","270706","2021-11-17","00:12:03",""
"7708856","8.49904","0.00014","15.8315","0.0003","16.3349","0.0004","90","","90","","90","","2197.9","0.08","100.2","0.8","100.2","0.8","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 F8 Ge O6 P2 S2 -","- C12 H16 F8 Ge O6 P2 S2 -","- C48 H64 F32 Ge4 O24 P8 S8 -","4","1","","King, Rhys; Levason, William; Reid, Gillian","Neutral and cationic germanium(IV) fluoride complexes with phosphine coordination – synthesis, spectroscopy and structures","Dalton Transactions","2021","","","","","10.1039/D1DT03339E","","x-ray","0.71073","MoKα","","0.0685","0.0612","","","0.1425","0.1455","","","","","","1.131","","","","has coordinates","270707","2021-11-17","00:15:43",""
"7708882","8.6071","0.0013","17.845","0.003","18.836","0.003","90","","90","","90","","2893.1","0.8","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Cl Dy N4 O4 -","- C30 H32 Cl Dy N4 O4 -","- C120 H128 Cl4 Dy4 N16 O16 -","4","1","","Dong, Yubao; Zhu, Li; Yin, Bing; Zhu, Xinrui; Li, Dongfeng","Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02925h","","","0.71073","MoKα","","0.0162","0.0154","","","0.0368","0.0371","","","","","","1.142","","","","has coordinates","270757","2021-11-19","00:04:35",""
"7708887","8.5766","0.0007","18.0373","0.0014","18.8912","0.0015","90","","90","","90","","2922.4","0.4","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 Br Dy N4 O4 -","- C30 H32 Br Dy N4 O4 -","- C120 H128 Br4 Dy4 N16 O16 -","4","1","","Dong, Yubao; Zhu, Li; Yin, Bing; Zhu, Xinrui; Li, Dongfeng","Regulating the magnetic properties of seven-coordinated Dy(III) single-ion magnets through the effect of positional isomers on axial crystal-field.","Dalton transactions (Cambridge, England : 2003)","2021","","","","","10.1039/d1dt02925h","","","0.71073","MoKα","","0.0261","0.022","","","0.0463","0.0475","","","","","","1.073","","","","has coordinates","270757","2021-11-19","00:04:49",""
"7708942","8.4352","0.0004","17.0889","0.0008","31.8495","0.0016","90","","90","","90","","4591.1","0.4","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H72 N18 O58 S6 Sm4 -","- C60 H72 N18 O58 S6 Sm4 -","- C120 H144 N36 O116 S12 Sm8 -","2","0.5","","Wu, Min-Yu; Xu, Jing-Xiang; Chen, Yi-Hsin; Lu, I-Chung; Han, Jeng-Liang; Lin, Po-Heng","Self-assembled lanthanide-based helixes: synthetic control of the helical handedness by chirality of the ligand.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","69","73","10.1039/d1dt03833h","","","0.71076","MoKα","","0.0369","0.035","","","0.0929","0.103","","","","","","1.29","","","","has coordinates","272653","2022-02-04","19:32:20",""
"7708943","8.4336","0.0005","17.092","0.001","31.8609","0.0019","90","","90","","90","","4592.7","0.5","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H74 N18 O58 S6 Sm4 -","- C60 H74 N18 O58 S6 Sm4 -","- C120 H148 N36 O116 S12 Sm8 -","2","0.5","","Wu, Min-Yu; Xu, Jing-Xiang; Chen, Yi-Hsin; Lu, I-Chung; Han, Jeng-Liang; Lin, Po-Heng","Self-assembled lanthanide-based helixes: synthetic control of the helical handedness by chirality of the ligand.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","69","73","10.1039/d1dt03833h","","","0.71076","MoKα","","0.0293","0.0274","","","0.0767","0.0875","","","","","","1.351","","","","has coordinates","272653","2022-02-04","19:32:21",""
"7708944","8.3933","0.0007","17.0645","0.0012","31.759","0.002","90","","90","","90","","4548.8","0.6","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N9 O28 S3 Tb2 -","- C30 H35 N9 O28 S3 Tb2 -","- C120 H140 N36 O112 S12 Tb8 -","4","1","","Wu, Min-Yu; Xu, Jing-Xiang; Chen, Yi-Hsin; Lu, I-Chung; Han, Jeng-Liang; Lin, Po-Heng","Self-assembled lanthanide-based helixes: synthetic control of the helical handedness by chirality of the ligand.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","69","73","10.1039/d1dt03833h","","","0.71076","MoKα","","0.0324","0.0308","","","0.0839","0.0938","","","","","","1.242","","","","has coordinates","272653","2022-02-04","19:32:21",""
"7708945","8.4163","0.0004","17.0714","0.0009","31.8351","0.0015","90","","90","","90","","4574","0.4","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 Eu4 N18 O58 S6 -","- C60 H68 Eu4 N18 O58 S6 -","- C120 H136 Eu8 N36 O116 S12 -","2","0.5","","Wu, Min-Yu; Xu, Jing-Xiang; Chen, Yi-Hsin; Lu, I-Chung; Han, Jeng-Liang; Lin, Po-Heng","Self-assembled lanthanide-based helixes: synthetic control of the helical handedness by chirality of the ligand.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","69","73","10.1039/d1dt03833h","","","0.71076","MoKα","","0.0291","0.0277","","","0.0753","0.083","","","","","","1.243","","","","has coordinates","272653","2022-02-04","19:32:21",""
"7708946","8.4028","0.0007","17.0704","0.0015","31.728","0.003","90","","90","","90","","4551","0.7","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N9 O29 S3 Tb2 -","- C30 H37 N9 O29 S3 Tb2 -","- C120 H148 N36 O116 S12 Tb8 -","4","1","","Wu, Min-Yu; Xu, Jing-Xiang; Chen, Yi-Hsin; Lu, I-Chung; Han, Jeng-Liang; Lin, Po-Heng","Self-assembled lanthanide-based helixes: synthetic control of the helical handedness by chirality of the ligand.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","69","73","10.1039/d1dt03833h","","","0.71076","MoKα","","0.0308","0.0283","","","0.0865","0.1029","","","","","","1.379","","","","has coordinates","272653","2022-02-04","19:32:21",""
"7708947","8.4307","0.0004","17.0678","0.0009","31.7941","0.0015","90","","90","","90","","4575","0.4","150","2","150.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H74 Eu4 N18 O58 S6 -","- C60 H74 Eu4 N18 O58 S6 -","- C120 H148 Eu8 N36 O116 S12 -","2","0.5","","Wu, Min-Yu; Xu, Jing-Xiang; Chen, Yi-Hsin; Lu, I-Chung; Han, Jeng-Liang; Lin, Po-Heng","Self-assembled lanthanide-based helixes: synthetic control of the helical handedness by chirality of the ligand.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","69","73","10.1039/d1dt03833h","","","0.71076","MoKα","","0.0346","0.0321","","","0.0815","0.0896","","","","","","1.218","","","","has coordinates","272653","2022-02-04","19:32:21",""
"7708958","11.6235","0.0001","17.5314","0.0001","20.1961","0.0001","90","","90","","90","","4115.49","0.05","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H61 Mg N3 O Si -","- C42 H61 Mg N3 O Si -","- C168 H244 Mg4 N12 O4 Si4 -","4","1","","Okokhere-Edeghoghon, Bibian; Neale, Samuel E.; Hill, Michael S.; Mahon, Mary F.; McMullin, Claire L.","Isocyanate deoxygenation by a molecular magnesium silanide.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","136","144","10.1039/d1dt03775g","","x-ray","1.54184","CuKα","","0.0315","0.0306","","","0.0844","0.0853","","","","","","1.02","","","","has coordinates","272661","2022-02-04","19:36:18",""
"7708961","8.4892","0.0004","15.9996","0.0008","22.0985","0.0009","90","","90","","90","","3001.5","0.2","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1a","","- C25 H49 N3 O Si2 Sn -","- C25 H49 N3 O Si2 Sn -","- C100 H196 N12 O4 Si8 Sn4 -","4","1","","Yimthachote, Supajittra; Chumsaeng, Phongnarin; Phomphrai, Khamphee","Complexity of imine and amine Schiff-base tin(ii) complexes: drastic differences of amino and pyridyl side arms","Dalton Transactions","2021","","","","","10.1039/D1DT02997E","","","0.71073","MoKα","","0.0236","0.0202","","","0.0405","0.0413","","","","","","1.047","","","","has coordinates","270948","2021-11-30","23:58:11",""
"7709036","11.7028","0.0005","11.9322","0.0006","12.0721","0.0006","90","","90","","90","","1685.75","0.14","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 B10 -","- C12 H22 B10 -","- C48 H88 B40 -","4","1","","Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei","Light-enabled alkenylation of iodocarboranes with unactivated alkenes.","Dalton transactions (Cambridge, England : 2003)","2021","51","1","104","110","10.1039/d1dt03726a","","","0.71073","MoKα","","0.0965","0.0782","","","0.214","0.2315","","","","","","1.054","","","","has coordinates","272654","2022-02-04","19:32:34",""
"7709060","9.7951","0.0004","16.2051","0.0006","17.2568","0.0007","90","","90","","90","","2739.18","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H49 N2 Si3 Y -","- C18 H49 N2 Si3 Y -","- C72 H196 N8 Si12 Y4 -","4","1","","Mortis, Alexandros; Maichle-Moessmer, Caecilia; Anwander, Reiner","Yttrium tris(trimethylsilylmethyl) complexes grafted onto MCM-48 mesoporous silica nanoparticles","Dalton Transactions","2022","","","","","10.1039/D1DT03876A","","","0.71073","MoKα","","0.0274","0.0255","","","0.0568","0.058","","","","","","1.096","","","","has coordinates","271334","2021-12-10","23:54:11",""
"7709081","9.9275","0.0012","14.1515","0.0016","14.8834","0.0018","90","","90","","90","","2091","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Co N8 O2 -","- C21 H19 Co N8 O2 -","- C84 H76 Co4 N32 O8 -","4","1","","Jana, Abhimanyu; Aher, Abhishek; Brandão, Paula; Bera, Pradip; Sharda, Saphy; Phadikar, Ujjwal; Manna, Sunil; Mahapatra, Ajit Kumar; Bera, Pulakesh","Evaluation of anticancer activities varying ligand’s substituents in Co(II/III)-picolyl phenolate derivatives: Synthesis, characterization, DFT, DNA cleavage and molecular docking studies","Dalton Transactions","2022","","","","","10.1039/D1DT02825A","","","0.71073","MoKα","","0.0773","0.0599","","","0.1502","0.1693","","","","","","1.095","","","","has coordinates","271419","2021-12-14","23:56:15",""
"7709135","10.2101","0.0002","13.2214","0.0002","22.7451","0.0004","90","","90","","90","","3070.4","0.09","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H52 N O Sc Si2 -","- C27 H52 N O Sc Si2 -","- C108 H208 N4 O4 Sc4 Si8 -","4","1","","Münster, Katharina; Raeder, Jan; Walter, Marc D.","Synthesis and characterisation of an enantiomerically pure scandium pentadienyl complex and its application in the polymerisation of rac-lactide","Dalton Transactions","2022","","","","","10.1039/D1DT03920B","","x-ray","1.54184","CuKα","","0.0401","0.0368","","","0.0945","0.0963","","","","","","1.066","","","","has coordinates","271571","2021-12-22","00:02:45",""
"7709145","7.9239","0.0002","19.436","0.0006","25.6769","0.0011","90","","90","","90","","3954.5","0.2","150.01","0.1","150.01","0.1","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 As B Cl2 F3 N6 O5 S W -","- C33 H37 As B Cl2 F3 N6 O5 S W -","- C132 H148 As4 B4 Cl8 F12 N24 O20 S4 W4 -","4","1","","Frogley, Benjamin J.; Hill, Anthony F.","Arsinocarbyne reactivity.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1907","1917","10.1039/d1dt03790k","","x-ray","1.54184","CuKα","","0.0563","0.0467","","","0.104","0.11","","","","","","1.029","","","","has coordinates","272672","2022-02-04","19:40:24",""
"7709152","13.3884","0.0003","14.0757","0.0004","37.3799","0.0008","90","","90","","90","","7044.3","0.3","93","","93","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C69 H65 B F24 Mo N2 O3 P2 -","- C69 H65 B F24 Mo N2 O3 P2 -","- C276 H260 B4 F96 Mo4 N8 O12 P8 -","4","1","","Itabashi, Takayuki; Arashiba, Kazuya; Kuriyama, Shogo; Nishibayashi, Yoshiaki","Reactivity of molybdenum-nitride complex bearing pyridine-based PNP-type pincer ligand toward carbon-centered electrophiles.","Dalton transactions (Cambridge, England : 2003)","2022","51","5","1946","1954","10.1039/d1dt03952k","","","0.71073","MoKα","","0.0993","0.0764","","","0.1866","0.2002","","","","","","0.987","","","","has coordinates","272681","2022-02-04","19:42:53",""
"7709269","11.9889","0.0003","17.2083","0.0004","20.1914","0.0004","90","","90","","90","","4165.66","0.16","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H55 Cu N2 Sn -","- C46 H55 Cu N2 Sn -","- C184 H220 Cu4 N8 Sn4 -","4","1","","Charman, Rex S. C.; Mahon, Mary F.; Lowe, John P.; Liptrot, David J.","The structures of ring-expanded NHC supported copper(i) triphenylstannyls and their phenyl transfer reactivity towards heterocumulenes","Dalton Transactions","2022","","","","","10.1039/D1DT03109K","","x-ray","0.71073","MoKα","","0.0368","0.0293","","","0.0646","0.0679","","","","","","1.061","","","","has coordinates","271950","2022-01-07","23:48:55",""
"7709270","12.30344","0.00005","16.9976","0.00006","20.11837","0.00007","90","","90","","90","","4207.33","0.03","150.01","0.1","150.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H57 Cu N2 Sn -","- C47 H57 Cu N2 Sn -","- C188 H228 Cu4 N8 Sn4 -","4","1","","Charman, Rex S. C.; Mahon, Mary F.; Lowe, John P.; Liptrot, David J.","The structures of ring-expanded NHC supported copper(i) triphenylstannyls and their phenyl transfer reactivity towards heterocumulenes","Dalton Transactions","2022","","","","","10.1039/D1DT03109K","","x-ray","1.54184","CuKα","","0.0178","0.0177","","","0.0461","0.0461","","","","","","1.086","","","","has coordinates","271950","2022-01-07","23:48:55",""
"7709337","9.8439","0.0002","17.8101","0.0003","21.7832","0.0004","90","","90","","90","","3819.05","0.12","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(E)-(mesityl((triphenylsilyl)oxy)methylene)(triphenylsilyl)phosphane","","- C9.68 H8.63 O0.21 P0.21 Si0.42 -","- C9.68421 H8.63158 O0.210526 P0.210526 Si0.421053 -","- C184 H164 O4 P4 Si8 -","19","4.75","","Grützmacher, Hansjörg; Le Corre, Grégoire","Simple conversion of trisodium phosphide, Na3P, into silyl- and cyanophosphides and structure of a terminal silver phosphide","Dalton Transactions","2022","","","","","10.1039/D1DT04223H","","","1.54178","CuKα","","0.0362","0.0312","","","0.0762","0.0806","","","","","","1.041","","","","has coordinates","272145","2022-01-19","23:58:09",""
"7709338","9.5649","0.0002","20.049","0.0003","21.8272","0.0003","90","","90","","90","","4185.73","0.12","100.01","0.1","100.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Cyano(triphenylsilyl)phosphanido[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]silver(I)","","- C10.22 H11.33 Ag0.22 N0.67 P0.22 Si0.22 -","- C10.2222 H11.3333 Ag0.222222 N0.666667 P0.222222 Si0.222222 -","- C184 H204 Ag4 N12 P4 Si4 -","18","4.5","","Grützmacher, Hansjörg; Le Corre, Grégoire","Simple conversion of trisodium phosphide, Na3P, into silyl- and cyanophosphides and structure of a terminal silver phosphide","Dalton Transactions","2022","","","","","10.1039/D1DT04223H","","x-ray","0.71073","MoKα","","0.0316","0.0278","","","0.0574","0.059","","","","","","1.037","","","","has coordinates","272145","2022-01-19","23:58:09",""
"7709433","17.7361","0.0001","18.8119","0.0001","25.1981","0.0001","90","","90","","90","","8407.34","0.07","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C48 H53 Au N4 -","- C48 H53 Au N4 -","- C384 H424 Au8 N32 -","8","2","","Nolan, Steven P.; Martynova, Ekaterina A.; Van Hecke, Kristof; Rizzolio, Flavio; Peng, Min; Cavarzenari, Enrico; Scattolin, Thomas","A simple synthetic entryway into new families of NHC-gold-amido complexes and their in vitro antitumor activity","Dalton Transactions","2022","","","","","10.1039/D2DT00239F","","x-ray","1.54184","CuKα","","0.0238","0.022","","","0.0521","0.0529","","","","","","1.031","","","","has coordinates","272800","2022-02-04","23:52:28",""
"7709456","8.3463","0.0004","9.9319","0.0005","21.1509","0.0013","90","","90","","90","","1753.3","0.16","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","AMF-38","","- C13 H19 N2 O5 P W -","- C13 H19 N2 O5 P W -","- C52 H76 N8 O20 P4 W4 -","4","1","","Brehm, Philipp; Müller-Feyen , Anne Sophie; Schnakenburg, Gregor; Streubel, R.","1,3,2-Diheterophospholane complexes: access to new tuneable precursors of phosphanoxyl complexes and P-functional polymers","Dalton Transactions","2022","","","","","10.1039/D2DT00027J","","","0.71073","MoKα","","0.0347","0.023","","","0.0314","0.0327","","","","","","0.641","","","","has coordinates","272905","2022-02-10","23:48:58",""
"7709465","9.077","0.0003","17.2213","0.0008","19.5201","0.0006","90","","90","","90","","3051.3","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl Cu N6 O7 S2 -","- C24 H36 Cl Cu N6 O7 S2 -","- C96 H144 Cl4 Cu4 N24 O28 S8 -","4","1","","Al-Riyahee, Ali A. A.; Horton, Peter N.; Coles, Simon J.; Berry, Colin; Horrocks, Paul D.; Pope, Simon J. A.; Amoroso, Angelo J.","N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties","Dalton Transactions","2022","","","","","10.1039/D1DT04091J","","x-ray","0.71073","MoKα","","0.1073","0.0662","","","0.1278","0.1439","","","","","","1.035","","","","has coordinates","272906","2022-02-10","23:51:13",""
"7709526","13.0889","0.0004","19.0945","0.0006","21.5669","0.0007","90","","90","","90","","5390.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H80 Ga N2 Na O6 -","- C54 H80 Ga N2 Na O6 -","- C216 H320 Ga4 N8 Na4 O24 -","4","1","","Dodonov, Vladimir Alekseevich; Kushnerova, Olga A.; Rumyantcev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor Leonidovich","Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles","Dalton Transactions","2022","","","","","10.1039/D1DT04366H","","","0.71073","MoKα","","0.0668","0.0446","","","0.0851","0.0926","","","","","","1.037","","","","has coordinates,has disorder","272984","2022-02-16","00:04:49",""
"7709564","10.3407","0.0001","17.5114","0.0003","20.2383","0.0003","90","","90","","90","","3664.75","0.09","119.97","0.1","119.97","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H24 F6 I N4 P -","- C12 H24 F6 I N4 P -","- C96 H192 F48 I8 N32 P8 -","8","2","","Yu, Shilin; Ward, Jas S.","Ligand Exchange Among Iodine(I) Complexes","Dalton Transactions","2022","","","","","10.1039/D1DT04309A","","x-ray","1.54184","CuKα","","0.0287","0.0266","","","0.0641","0.0659","","","","","","1.036","","","","has coordinates","273016","2022-02-17","23:59:19",""
"7709616","8.412","0.002","15.856","0.003","15.903","0.003","90","","90","","90","","2121.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Cl4 Ga N2 -","- C15 H25 Cl4 Ga N2 -","- C60 H100 Cl16 Ga4 N8 -","4","1","","Roesky, Herbert W.; Kumar, Arun; Banerjee, Samya; Sharma, Nishant; Nazish, Mohd; Graw, Nico; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar","Synthesis and computational aspects of Al(II)-Al(II) and Ga(II)-Ga(II) dihalides based on an amidinate scaffold","Dalton Transactions","2022","","","","","10.1039/D2DT00317A","","","0.71073","MoKα","","0.0182","0.0175","","","0.0429","0.043","","","","","","1.025","","","","has coordinates","273183","2022-02-28","23:48:59",""
"7709642","10.131","0.0005","19.1776","0.001","19.2647","0.001","90","","90","","90","","3742.9","0.3","120.02","0.16","120.02","0.16","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[2,6-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine]-[2,6-bis(1H-benzimidazol-2-yl)pyridine]iron(II) diperchlorate","","- C36 H36 Cl2 Fe N8 O10 -","- C36 H36 Cl2 Fe N8 O10 -","- C144 H144 Cl8 Fe4 N32 O40 -","4","1","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.055","0.0533","","","0.1396","0.1426","","","","","","1.044","","","","has coordinates,has disorder","273443","2022-03-04","23:49:27",""
"7709645","8.8452","0.0001","20.3285","0.0003","22.9238","0.0004","90","","90","","90","","4121.92","0.11","130","0.1","130","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[2,6-Bis((R)-4-phenyl-4,5-dihydrothiazol-2-yl)pyridine]-[2,6-di(pyrazol-1-yl)pyridine]iron(II) diperchlorateacetonitrile solvate","","- C38 H34 Cl2 Fe N10 O8 S2 -","- C38 H34 Cl2 Fe N10 O8 S2 -","- C152 H136 Cl8 Fe4 N40 O32 S8 -","4","1","","Shahid, Namrah; Burrows, Kay E.; Pask, Christopher M.; Cespedes, Oscar; Howard, Mark J.; McGowan, Patrick C.; Halcrow, Malcolm A.","Heteroleptic iron(ii) complexes of chiral 2,6-bis(oxazolin-2-yl)-pyridine (PyBox) and 2,6-bis(thiazolin-2-yl)pyridine ligands – the interplay of two different ligands on the metal ion spin sate","Dalton Transactions","2022","","","","","10.1039/D2DT00393G","","x-ray","1.54184","CuKα","","0.0504","0.0412","","","0.0903","0.0945","","","","","","1.031","","","","has coordinates,has disorder","273443","2022-03-04","23:49:28",""
"7709664","9.5772","0.0003","10.3094","0.0004","21.5985","0.0008","90","","90","","90","","2132.53","0.13","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Br N4 P -","- C25 H18 Br N4 P -","- C100 H72 Br4 N16 P4 -","4","1","","Radhakrishna, Latchupatula; Kote, Basvaraj S.; Kunchur, Harish S.; Pandey, Madhusudan Kumar; Mondal, Dipanjan; Balakrishna, Maravanji Shivaramaiah","1,2,3-Triazole based ligands with phosphine and pyridine functionalities: Synthesis, PdII, PtII chemistry and catalytic studies","Dalton Transactions","2022","","","","","10.1039/D2DT00112H","","x-ray","0.71073","MoKα","","0.0626","0.0489","","","0.1115","0.1204","","","","","","1.031","","","","has coordinates","273465","2022-03-05","23:54:39",""
"7709709","7.2123","0.0004","8.5123","0.0005","29.3664","0.0014","90","","90","","90","","1802.9","0.17","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 N3 O2 Pd -","- C21 H17 N3 O2 Pd -","- C84 H68 N12 O8 Pd4 -","4","1","","Panchavarnam, Sabari; Sengupta, Rima; Ravikanth, Mangalampalli","Synthesis, Structure, and Properties of Palladium(II) Complex of α-Formyl Pyrrolyl Dipyrromethene","Dalton Transactions","2022","","","","","10.1039/D2DT00166G","","","0.71073","MoKα","","0.0972","0.091","","","0.2385","0.245","","","","","","1.129","","","","has coordinates","273575","2022-03-09","23:56:46",""
"7709813","9.6894","0.00011","10.29021","0.00014","12.63823","0.00014","90","","90","","90","","1260.11","0.03","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 B2 -","- C14 H18 B2 -","- C56 H72 B8 -","4","1","","Becker, Christian; Schwabedissen, Jan; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.","Frustrated Lewis pair chemistry of hydride sponges","Dalton Transactions","2022","","","","","10.1039/D2DT00585A","","x-ray","1.54184","CuKα","","0.0349","0.0346","","","0.0944","0.0946","","","","","","1.05","","","","has coordinates","273943","2022-03-23","23:57:40",""
"7709905","9.948","0.0001","17.518","0.0001","17.8162","0.0001","90","","90","","90","","3104.81","0.04","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","BM177","","- C29 H40 Cl4 N2 Pt S -","- C29 H40 Cl4 N2 Pt S -","- C116 H160 Cl16 N8 Pt4 S4 -","4","1","","Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.","A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope","Dalton Transactions","2022","","","","","10.1039/D2DT00504B","","x-ray","0.71073","MoKα","","0.0187","0.0171","","","0.0352","0.0358","","","","","","1.047","","","","has coordinates","274183","2022-03-31","22:57:56",""
"7709908","8.2127","0.0002","19.9564","0.0005","23.1694","0.0006","90","","90","","90","","3797.37","0.17","130","","130","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H38 Cl3 Cu3 N6 O2 -","- C38 H38 Cl3 Cu3 N6 O2 -","- C152 H152 Cl12 Cu12 N24 O8 -","4","1","","Charette, Bronte J.; Griffin, Paul J.; Zimmerman, Claire M.; Olshansky, Lisa","Conformationally dynamic copper coordination complexes","Dalton Transactions","2022","","","","","10.1039/D2DT00312K","","","0.71073","MoKα","","0.0356","0.0295","","","0.057","0.0596","","","","","","1.054","","","","has coordinates","274184","2022-03-31","22:59:26",""
"7709942","7.0647","0.0016","11.425","0.003","20.803","0.005","90","","90","","90","","1679.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 B N2 Si -","- C18 H19 B N2 Si -","- C72 H76 B4 N8 Si4 -","4","1","","Yoshida, Hiroto; Izumi, Yuki; Hiraoka, Yuta; Nakanishi, Kazuki; Nakamoto, Masaaki; Hatano, Sayaka; Abe, Manabu","A stable silylborane with diminished boron-Lewis acidity","Dalton Transactions","2022","","","","","10.1039/D2DT00962E","","","0.71073","MoKα","","0.0397","0.0332","","","0.0731","0.076","","","","","","1.039","","","","has coordinates","274439","2022-04-08","22:59:13",""
"7710134","7.8703","0.0003","10.4757","0.0004","15.2771","0.0006","90","","90","","90","","1259.55","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 Br3 N2 Pb -","- C6 H13 Br3 N2 Pb -","- C24 H52 Br12 N8 Pb4 -","4","1","","Han, Keke; Wei, Zhenhong; Ye, Xing; Li, Bo; Wang, Pan; Cai, Hu","A lead bromide organic-inorganic hybrid perovskite material showing reversible dual phase transition and robust SHG switching","Dalton Transactions","2022","","","","","10.1039/D2DT01040B","","","0.71073","MoKα","","0.0301","0.0222","","","0.0497","0.0512","","","","","","1.04","","","","has coordinates","274812","2022-05-02","23:12:53",""
"7710147","13.4853","0.0005","24.7376","0.0013","34.1042","0.0018","90","","90","","90","","11377","0.9","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C120 H164 Ge4 N8 O2 -","- C120 H164 Ge4 N8 O2 -","- C480 H656 Ge16 N32 O8 -","4","1","","Liu, Jingjing; Shang, Jianxuan; Wei, Jing; Gao, Fangfang; Hou, Lei; Zeng, FanLong; Li, Anyang; Wang, Wenyuan","An α-diiminato germylene family: syntheses, structures, and reactivity towards C-C coupled digermylene and digermylene oxide","Dalton Transactions","2022","","","","","10.1039/D2DT00981A","","","1.34138","GaKα","","0.0441","0.0365","","","0.0909","0.095","","","","","","1.009","","","","has coordinates,has disorder","274814","2022-05-02","23:15:40",""
"7710178","9.20754","0.00008","14.47998","0.00012","22.6523","0.0002","90","","90","","90","","3020.12","0.05","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 Cl N2 O P Pd -","- C35 H30 Cl N2 O P Pd -","- C140 H120 Cl4 N8 O4 P4 Pd4 -","4","1","","Huang, Jun-Jian; Zhang, Xiao-Qi; Yang, Jing-Jing; Gong, Jun-Fang; Song, Mao-Ping","Chiral (phosphine)-(imidazoline) PCN pincer palladium(II) complexes: synthesis and application in asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine","Dalton Transactions","2022","","","","","10.1039/D2DT01078J","","x-ray","1.54184","CuKα","","0.0302","0.0279","","","0.0694","0.0712","","","","","","1.031","","","","has coordinates","274859","2022-05-03","22:53:30",""
"7710179","9.34262","0.00012","14.76131","0.00019","24.6818","0.0003","90","","90","","90","","3403.85","0.07","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 Cl N2 O P Pd -","- C41 H32 Cl N2 O P Pd -","- C164 H128 Cl4 N8 O4 P4 Pd4 -","4","1","","Huang, Jun-Jian; Zhang, Xiao-Qi; Yang, Jing-Jing; Gong, Jun-Fang; Song, Mao-Ping","Chiral (phosphine)-(imidazoline) PCN pincer palladium(II) complexes: synthesis and application in asymmetric hydrophosphination of 2-alkenoylpyridines with diphenylphosphine","Dalton Transactions","2022","","","","","10.1039/D2DT01078J","","x-ray","1.54184","CuKα","","0.0382","0.032","","","0.0684","0.0723","","","","","","1.013","","","","has coordinates","274859","2022-05-03","22:53:30",""
"7710208","9.0576","0.0008","9.9193","0.0007","15.8622","0.0013","90","","90","","90","","1425.1","0.2","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Co3 Cs2 O16 S4 -","- Co3 Cs2 O16 S4 -","- Co12 Cs8 O64 S16 -","4","1","","Nekrasova, Diana O.; Mentré, Olivier; Siidra, Oleg I.; Henry, Natacha; Colmont, Marie","Multiple dimensionalities in A2M3(SO4)4 (A = Rb, Cs; M = Co, Ni) analogues","Dalton Transactions","2022","","","","","10.1039/D1DT04202E","","x-ray","0.56086","AgKα","","0.0483","0.0328","","","0.0536","0.0596","","","","","","1.072","","","","has coordinates","275284","2022-05-09","22:54:28",""
"7710326","9.4175","0.0004","9.4368","0.0003","21.9641","0.0006","90","","90","","90","","1951.97","0.12","123","2","123.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-((μ-phenylphosphinate)-bis(3-methoxyphenyl)-bismuth)","","- C20 H20 Bi O4 P -","- C20 H20 Bi O4 P -","- C80 H80 Bi4 O16 P4 -","4","1","","Herdman, Megan E.; Werrett, Melissa V.; Andrews, Philip C.","Aryl bismuth phosphinates [BiAr<sub>2</sub>(O(O)PRR')]: structure-activity relationships for antibacterial activity and cytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2022","51","24","9323","9335","10.1039/d2dt00346e","","","0.71073","MoKα","","0.0342","0.0264","","","0.0463","0.0482","","","","","","1.044","","","","has coordinates","276605","2022-07-06","08:03:15",""
"7710335","13.5949","0.0013","17.6861","0.0017","28.194","0.003","90","","90","","90","","6779","1.2","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H50 F12 N4 S4 Zn -","- C66 H50 F12 N4 S4 Zn -","- C264 H200 F48 N16 S16 Zn4 -","4","1","","Wu, Tengdie; Wang, Shen; Lv, Yongxin; Fu, Tianyue; Jiang, Jinhai; Lu, Xin; Yu, Zhi-Peng; zhang, jie; Wang, Lianke; Zhou, Hong-Ping","A New Bis(thioether)-Dipyrrin N2S2 Ligand and Its Coordination Behaviors to Nickel, Copper and Zinc","Dalton Transactions","2022","","","","","10.1039/D2DT01282K","","","0.71073","MoKα","","0.0895","0.0527","","","0.1135","0.1302","","","","","","1.039","","","","has coordinates,has disorder","275646","2022-05-25","22:53:59",""
"7710362","13.612","0.002","14.755","0.002","17.022","0.003","90","","90","","90","","3418.8","0.9","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Cl F4 N4 O7 Ru2 -","- C30 H24 Cl F4 N4 O7 Ru2 -","- C120 H96 Cl4 F16 N16 O28 Ru8 -","4","1","","Inchausti, Almudena; Terán, Aarón; Manchado-Parra, Alberto; de Marcos-Galán, Alessandra; Perles, Josefina; Cortijo, Miguel; González-Prieto, Rodrigo; HERRERO (DOMINGUEZ), SANTIAGO; Jimenez-Aparicio, Reyes","New insights in the progressive ligand replacement from [Ru2Cl(O2CCH3)4]: synthetic strategies and variation of redox potentials and paramagnetic shifts","Dalton Transactions","2022","","","","","10.1039/D2DT00909A","","","0.71073","MoKα","","0.2056","0.0938","","","0.1811","0.2402","","","","","","1.092","","","","has coordinates","275681","2022-05-28","22:46:54",""
"7710365","14.2365","0.0008","16.2626","0.0009","16.8307","0.0009","90","","90","","90","","3896.7","0.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","DYATRIS","","","- C37 H30 Cl F5 N5 O5 Ru2 -","- C37 H30 Cl F5 N5 O5 Ru2 -","- C148 H120 Cl4 F20 N20 O20 Ru8 -","4","1","","Inchausti, Almudena; Terán, Aarón; Manchado-Parra, Alberto; de Marcos-Galán, Alessandra; Perles, Josefina; Cortijo, Miguel; González-Prieto, Rodrigo; HERRERO (DOMINGUEZ), SANTIAGO; Jimenez-Aparicio, Reyes","New insights in the progressive ligand replacement from [Ru2Cl(O2CCH3)4]: synthetic strategies and variation of redox potentials and paramagnetic shifts","Dalton Transactions","2022","","","","","10.1039/D2DT00909A","","","0.71073","MoKα","","0.1022","0.0566","","","0.1197","0.1495","","","","","","1.087","","","","has coordinates,has disorder","275681","2022-05-28","22:46:54",""
"7710397","6.536","0.0013","18.648","0.005","26.673","0.008","90","","90","","90","","3251","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Au Cl N5 O9 -","- C28 H35 Au Cl N5 O9 -","- C112 H140 Au4 Cl4 N20 O36 -","4","1","","Annunziata, Alfonso; Cucciolito, Maria Elena; Ferraro, Giarita; Imbimbo , Paola; Tuzi, Angela; Monti, Daria Maria; Merlino, Antonello; Ruffo, Francesco","Halo complexes of gold(I) containing glycoconjugate carbene ligands: synthesis, characterization, cytotoxicity and interaction with protein and DNA model systems","Dalton Transactions","2022","","","","","10.1039/D2DT00423B","","","0.71073","MoKα","","0.076","0.0392","","","0.0655","0.0746","","","","","","1.017","","","","has coordinates,has disorder","275728","2022-06-01","23:03:28",""
"7710478","12.8865","0.0005","13.4261","0.0005","18.1572","0.0007","90","","90","","90","","3141.5","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H36 F6 Fe N2 P2 -","- C33 H36 F6 Fe N2 P2 -","- C132 H144 F24 Fe4 N8 P8 -","4","1","","Gradiski, Matthew Viktor; Rennie, Benjamin E.; Lough, Alan; Morris, Robert H.","Electronic Insights into Aminoquinoline-Based PNHN Ligands: Protonation State Dictates Geometry While Coordination Environment Dictates N-H Acidity and Bond Strength","Dalton Transactions","2022","","","","","10.1039/D2DT01556K","","","0.71073","MoKα","","0.081","0.0373","","","0.0707","0.0837","","","","","","1.031","","","","has coordinates","276011","2022-06-13","22:57:59",""
"7710558","10.5967","0.0011","12.2575","0.0013","28.2589","0.0019","90","","90","","90","","3670.5","0.6","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 Cl2 N2 O Pd -","- C17 H24 Cl2 N2 O Pd -","- C136 H192 Cl16 N16 O8 Pd8 -","8","2","","de la Cueva-Alique, Isabel; de la Torre-Rubio, Elena; Muñoz, Laura; Calvo-Jareño, Alicia; Perez-Redondo, Adrian; Gude, Lourdes; Cuenca, Tomas; Royo, Eva","Stereoselective synthesis of oxime containing Pd(II) compounds: Highly effective, selective and stereo-regulated cytotoxicity against carcinogenic PC-3 cells","Dalton Transactions","2022","","","","","10.1039/D2DT01403C","","x-ray","0.71073","MoKα","","0.0868","0.0528","","","0.0947","0.1088","","","","","","1.087","","","","has coordinates","276208","2022-06-23","23:10:42",""
"7710559","13.0496","0.0012","15.8129","0.0014","22.4136","0.0014","90","","90","","90","","4625.1","0.7","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H65 Cl N6 O3 Pd -","- C48 H65 Cl N6 O3 Pd -","- C192 H260 Cl4 N24 O12 Pd4 -","4","1","","de la Cueva-Alique, Isabel; de la Torre-Rubio, Elena; Muñoz, Laura; Calvo-Jareño, Alicia; Perez-Redondo, Adrian; Gude, Lourdes; Cuenca, Tomas; Royo, Eva","Stereoselective synthesis of oxime containing Pd(II) compounds: Highly effective, selective and stereo-regulated cytotoxicity against carcinogenic PC-3 cells","Dalton Transactions","2022","","","","","10.1039/D2DT01403C","","x-ray","0.71073","MoKα","","0.0552","0.0373","","","0.0641","0.0707","","","","","","1.101","","","","has coordinates","276208","2022-06-23","23:10:42",""
"7710616","13.3718","0.0002","15.3179","0.0003","28.483","0.0005","90","","90","","90","","5834.11","0.18","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H78 O Si6 U -","- C57 H78 O Si6 U -","- C228 H312 O4 Si24 U4 -","4","1","","Wang, Shichun; Heng, Yi; Li, Tongyu; Wang, Dongwei; Hou, Guohua; Zi, Guofu; Walter, Marc D.","Intrinsic reactivity of [η<sup>5</sup>-1,3-(Me<sub>3</sub>Si)<sub>2</sub>C<sub>5</sub>H<sub>3</sub>]<sub>2</sub>U(η<sup>4</sup>-C<sub>4</sub>Ph<sub>2</sub>) in small molecule activation.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11072","11085","10.1039/d2dt01730j","","x-ray","1.54184","CuKα","","0.044","0.0392","","","0.0996","0.1022","","","","","","1.094","","","","has coordinates","277109","2022-08-06","11:48:19",""
"7710624","7.99","0.003","8.123","0.003","12.009","0.004","90","","90","","90","","779.4","0.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ca H6 N2 O7 S2 -","- Ca H6 N2 O7 S2 -","- Ca4 H24 N8 O28 S8 -","4","1","","Gross, Peter; Zhang, Yue; Bayarjargal, Lkhamsuren; Winkler, Bjoern; Höppe, Henning A.","New Alkaline-Earth Amidosulfates and their Unexpected Decomposition to S4N4","Dalton Transactions","2022","","","","","10.1039/D2DT01380K","","","0.71073","MoKα","","0.0881","0.0658","","","0.15","0.1571","","","","","","1.164","","","","has coordinates","276372","2022-06-28","22:53:28",""
"7710646","10.0553","0.0005","31.7945","0.0016","39.5192","0.0019","90","","90","","90","","12634.4","1.1","100","2","100","2","","","","","","","synthetical product","6","P 21 21 21","P 2ac 2ab","19","bis(mu2-sulfido)-bis(L-histidinato-O,N,N')-dioxo-di-tungsten(V) hydrate (6:17)","bis(mu2-sulfido)-bis(S-2-amino-3-(1H-imidazol-4-yl)propanoato-O,N,N')-dioxo-di-tungsten(V) hydrate (6:17)","","- C72 H130 N36 O53 S12 W12 -","- C72 H130 N36 O53 S12 W12 -","- C288 H520 N144 O212 S48 W48 -","4","1","","Varbanov, Hristo Plamenov; Glasnov, Toma N.; Belaj, Ferdinand; Herbert, Simon; Brumby, Thomas; Moesch-Zanetti, Nadia Carmen","New strategies towards advanced CT contrast agents. Development of neutral and monoanionic sulfur-bridged W(V) dimeric complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01470J","","","0.71073","MoKα","","0.055","0.0387","","","0.0588","0.0636","","","","","","1.014","","","","has coordinates,has disorder","276460","2022-06-30","22:54:38",""
"7710662","11.5192","0.0001","12.8095","0.0001","17.8255","0.0002","90","","90","","90","","2630.25","0.04","100","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 Cl3 N4 V -","- C22 H40 Cl3 N4 V -","- C88 H160 Cl12 N16 V4 -","4","1","","Horrer, Günther; Mann, Sophie; Krummenacher, Ivo; Braunschweig, Holger; Radius, Udo","N-Heterocyclic Carbene and Cyclic (Alkyl)(amino)carbene Complexes of Vanadium(III) and Vanadium(V)","Dalton Transactions","2022","","","","","10.1039/D2DT01250B","","","1.54184","CuKα","","0.026","0.0255","","","0.0681","0.0684","","","","","","1.056","","","","has coordinates","276491","2022-07-01","22:52:43",""
"7710723","6.2958","0.0003","8.4859","0.0004","13.1114","0.0006","90","","90","","90","","700.48","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4-methyl-2,5-diaminotetrazolium azide","4-methyl-2,5-diaminotetrazolium azide","","- C2 H7 N9 -","- C2 H7 N9 -","- C8 H28 N36 -","4","1","","Bauer, Josh; Benz, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg","Chemistry of 2,5-diaminotetrazole.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01480g","","","0.71073","MoKα","","0.0885","0.0831","","","0.2027","0.2093","","","","","","1.1","","","","has coordinates","276835","2022-07-23","00:08:44",""
"7710747","11.3182","0.0004","18.1653","0.0011","19.1481","0.0009","90","","90","","90","","3936.8","0.3","190","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cu N4 O4 -","- C22 H16 Cu N4 O4 -","- C88 H64 Cu4 N16 O16 -","4","1","","Duan, Jingui; Dong, Qiubing; Ge, Kai; Zhang, Mingxing; Wang, Huijie","Rotation Configuration Control of the sp2 Bond in Diimidazole−dicarboxylate Linker for Isomerism of Porous Coordination Polymers","Dalton Transactions","2022","","","","","10.1039/D2DT01982E","","","0.71073","MoKα","","0.0549","0.0474","","","0.1236","0.1264","","","","","","1.055","","","","has coordinates","276838","2022-07-23","00:13:58",""
"7710759","10.20797","0.00011","10.29984","0.0001","16.34059","0.00016","90","","90","","90","","1718.06","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 F6 P2 -","- C12 H28 F6 P2 -","- C48 H112 F24 P8 -","4","1","","Sinclair, Matthew J. G.; Chaplin, Adrian B.","Heterolytic carbon–iodine bond cleavage by a palladium(i) metalloradical","Dalton Transactions","2022","","","","","10.1039/D2DT02152H","","x-ray","1.54184","CuKα","","0.0232","0.0227","","","0.0594","0.0599","","","","","","1.037","","","","has coordinates","276841","2022-07-23","00:17:34",""
"7710770","6.9353","0.0014","10.764","0.002","17.208","0.003","90","","90","","90","","1284.6","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dicarbonyldichloridobis(dimethylselane)ruthenium","","- C6 H12 Cl2 O2 Ru Se2 -","- C6 H12 Cl2 O2 Ru Se2 -","- C24 H48 Cl8 O8 Ru4 Se8 -","4","1","","Taimisto, Marjaana; Bajorek, Tom; Rautiainen, J. Mikko; Pakkanen, Tapani A.; Oilunkaniemi, Raija; Laitinen, Risto S.","Experimental and computational investigation on the formation pathway of [RuCl<sub>2</sub>(CO)<sub>2</sub>(ERR')<sub>2</sub>] (E = S, Se, Te; R, R' = Me, Ph) from [RuCl<sub>2</sub>(CO)<sub>3</sub>]<sub>2</sub> and ERR'.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt02018a","","","0.71073","MoKα","","0.0303","0.0294","","","0.0706","0.071","","","","","","1.038","","","","has coordinates","276845","2022-07-23","00:22:40",""
"7710810","10.7316","0.0001","17.1793","0.0002","20.4541","0.0003","90","","90","","90","","3770.95","0.08","100","0.6","100","0.6","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H60 Al Li N2 O2 -","- C37.002 H60.005 Al Li N2 O2 -","- C148.008 H240.02 Al4 Li4 N8 O8 -","4","1","","Grams, Samuel; Mai, Jonathan; Langer, Jens; Harder, Sjoerd","Alkali Metal Influences in Aluminyl Complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02111K","","x-ray","1.54184","CuKα","","0.0552","0.0463","","","0.1223","0.1286","","","","","","1.078","","","","has coordinates,has disorder","276969","2022-07-27","22:48:34",""
"7710862","10.6001","0.001","17.0958","0.0017","17.6717","0.0018","90","","90","","90","","3202.4","0.5","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 N11 O14 Tb -","- C23 H36 N11 O14 Tb -","- C92 H144 N44 O56 Tb4 -","4","1","","Xia, Cheng-Cai; Ji, Wen-Jie; Zhang, Xin-Yu; Miao, Hao; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of the lanthanide complexes of imidazole-substituted nitronyl nitroxide biradicals","Dalton Transactions","2022","","","","","10.1039/D2DT01652D","","","0.71073","MoKα","","0.035","0.0298","","","0.0654","0.0679","","","","","","1.042","","","","has coordinates","277005","2022-07-29","22:52:15",""
"7710863","10.543","0.0004","16.874","0.0007","17.4368","0.0007","90","","90","","90","","3102.1","0.2","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Dy N11 O13 -","- C22 H32 Dy N11 O13 -","- C88 H128 Dy4 N44 O52 -","4","1","","Xia, Cheng-Cai; Ji, Wen-Jie; Zhang, Xin-Yu; Miao, Hao; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of the lanthanide complexes of imidazole-substituted nitronyl nitroxide biradicals","Dalton Transactions","2022","","","","","10.1039/D2DT01652D","","","0.71073","MoKα","","0.0207","0.0199","","","0.0484","0.0487","","","","","","1.135","","","","has coordinates","277005","2022-07-29","22:52:16",""
"7710864","10.6136","0.0004","17.0969","0.0006","17.6798","0.0006","90","","90","","90","","3208.2","0.2","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 Gd N11 O14 -","- C23 H36 Gd N11 O14 -","- C92 H144 Gd4 N44 O56 -","4","1","","Xia, Cheng-Cai; Ji, Wen-Jie; Zhang, Xin-Yu; Miao, Hao; Zhang, Yi-Quan; Wang, Xin-Yi","Syntheses, structures, and magnetic properties of the lanthanide complexes of imidazole-substituted nitronyl nitroxide biradicals","Dalton Transactions","2022","","","","","10.1039/D2DT01652D","","","0.71073","MoKα","","0.0182","0.0173","","","0.046","0.0465","","","","","","1.025","","","","has coordinates","277005","2022-07-29","22:52:16",""
"7710889","9.9759","0.0001","11.3019","0.0001","22.1158","0.0001","90","","90","","90","","2493.48","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 Cl2 N3 Ti -","- C27 H33 Cl2 N3 Ti -","- C108 H132 Cl8 N12 Ti4 -","4","1","","Koneczny, Marvin; Erol, Arife Büsra; Mauduit, Marc; Eisen, Moris S.; Tamm, Matthias","Titanium complexes with unsymmetrically substituted imidazolin-2-iminato ligands.","Dalton transactions (Cambridge, England : 2003)","2022","51","30","11448","11456","10.1039/d2dt01740g","","","1.54184","CuKα","","0.0227","0.0218","","","0.0504","0.0513","","","","","","1.033","","","","has coordinates","277050","2022-08-02","22:58:51",""
"7710956","9.154","0.0011","15.8407","0.0017","15.8615","0.0017","90","","90","","90","","2300","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H64 Cl2 Eu2 N8 O22 -","- C32 H64 Cl2 Eu2 N8 O22 -","- C64 H128 Cl4 Eu4 N16 O44 -","2","0.5","","Storm Thomsen, Maria; Andersen, Helene O. B.; Sørensen, Thomas Just","Long Story Short: Donor Set Symmetry in Eu.DOTA Crystals Determines the Electronic Structure","Dalton Transactions","2022","","","","","10.1039/D2DT02172B","","","0.71073","MoKα","","0.0158","0.0153","","","0.0376","0.0378","","","","","","1.083","","","","has coordinates,has disorder","277229","2022-08-12","23:02:21",""
"7711021","11.94996","0.00008","12.97812","0.0001","19.21709","0.00012","90","","90","","90","","2980.34","0.04","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 Cl N2 O2.5 Ru S2 -","- C28 H31 Cl N2 O2.5 Ru S2 -","- C112 H124 Cl4 N8 O10 Ru4 S8 -","4","1","","Khamis, Noha; Clarkson, Guy James; Wills, Martin","Heterocycle-containing Noyori-Ikariya Catalysts for Asymmetric Transfer Hydrogenation of Ketones","Dalton Transactions","2022","","","","","10.1039/D2DT02411J","","x-ray","1.54184","CuKα","","0.0293","0.0291","","","0.0789","0.0791","","","","","","1.061","","","","has coordinates,has disorder","277329","2022-08-19","22:59:25",""
"7711024","12.0383","0.0001","12.8861","0.0001","18.521","0.0001","90","","90","","90","","2873.1","0.04","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 Cl N2 O3 Ru S -","- C28 H31 Cl N2 O3 Ru S -","- C112 H124 Cl4 N8 O12 Ru4 S4 -","4","1","","Khamis, Noha; Clarkson, Guy James; Wills, Martin","Heterocycle-containing Noyori-Ikariya Catalysts for Asymmetric Transfer Hydrogenation of Ketones","Dalton Transactions","2022","","","","","10.1039/D2DT02411J","","x-ray","1.54184","CuKα","","0.0202","0.0198","","","0.0514","0.0517","","","","","","1.042","","","","has coordinates","277329","2022-08-19","22:59:25",""
"7711086","4.9065","0.0003","13.8542","0.0008","18.1645","0.0011","90","","90","","90","","1234.74","0.13","100","","100.02","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","TP16H","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Peppas, Anastassios; Sokalis, Demetrios; Perganti, Dorothea; Schnakenburg, Gregor; Falaras, Polycarpos; Philippopoulos, athanassios","Sterically demanding pyridine-quinoline anchoring ligands as building blocks for copper(I)-based dye-sensitized solar cells (DSSCs) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02382B","","x-ray","1.54178","CuKα","","0.0505","0.0405","","","0.0939","0.0988","","","","","","1.066","","","","has coordinates","277448","2022-08-29","23:17:15",""
"7711111","12.9201","0.0009","17.5604","0.0012","18.3558","0.0013","90","","90","","90","","4164.6","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H56 N O3 P2 Rh Si -","- C44 H56 N O3 P2 Rh Si -","- C176 H224 N4 O12 P8 Rh4 Si4 -","4","1","","Rain Talosig, A.; Cosio, Mario N.; Morse, Benjamin; Nguyen, Vinh T.; Kosanovich, Alex J.; Pell, Christopher J.; Li, Chun; Bhuvanesh, Nattamai; Zhou, Jia; Larsen, Anna S.; Ozerov, Oleg. V.","Distinct modes of Si–H binding to Rh in complexes of a phosphine-diarylamido-silane (SiNP) pincer ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02175G","","","0.71073","MoKα","","0.0281","0.0253","","","0.0589","0.0602","","","","","","1.051","","","","has coordinates","277566","2022-09-01","22:51:49",""
"7711153","7.62","0.04","8.38","0.04","16.68","0.08","90","","90","","90","","1065","9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H7 Bi O6 -","- C8 H7 Bi O6 -","- C32 H28 Bi4 O24 -","4","1","","Svensson Grape, Erik; Rooth, Victoria; Smolders, Simon; Thiriez, Ambre; Takki, Sofia; De Vos, Dirk; Willhammar, Tom; Inge, A. Ken","Bismuth gallate coordination networks inspired by an active pharmaceutical ingredient","Dalton Transactions","2022","","","","","10.1039/D2DT02260E","","","0.0251","electron","","0.1541","0.1399","","","0.3413","0.35","","","","","","1.181","","","","has coordinates","277637","2022-09-05","22:52:18",""
"7711155","7.73","0.04","6.84","0.03","16.87","0.08","90","","90","","90","","892","7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 Bi O6 -","- C9 H9 Bi O6 -","- C36 H36 Bi4 O24 -","4","1","","Svensson Grape, Erik; Rooth, Victoria; Smolders, Simon; Thiriez, Ambre; Takki, Sofia; De Vos, Dirk; Willhammar, Tom; Inge, A. Ken","Bismuth gallate coordination networks inspired by an active pharmaceutical ingredient","Dalton Transactions","2022","","","","","10.1039/D2DT02260E","","","0.0251","electron","","0.3377","0.3069","","","0.6519","0.694","","","","","","0.91","","","","has coordinates","277637","2022-09-05","22:52:19",""
"7711156","7.89","0.04","8.61","0.04","17.38","0.09","90","","90","","90","","1181","10","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H9 Bi O6 -","- C9 H9 Bi O6 -","- C36 H36 Bi4 O24 -","4","1","","Svensson Grape, Erik; Rooth, Victoria; Smolders, Simon; Thiriez, Ambre; Takki, Sofia; De Vos, Dirk; Willhammar, Tom; Inge, A. Ken","Bismuth gallate coordination networks inspired by an active pharmaceutical ingredient","Dalton Transactions","2022","","","","","10.1039/D2DT02260E","","","0.0251","electron","","0.1431","0.1409","","","0.3432","0.3442","","","","","","1.281","","","","has coordinates","277637","2022-09-05","22:52:19",""
"7711188","14.6271","0.0003","19.8015","0.0004","25.4081","0.0005","90","","90","","90","","7359.2","0.3","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37 H38 Cl3 Fe N O1.5 P2 Pd -","- C36 H36 Cl2 Fe N O1.5 P2 Pd -","- C288 H288 Cl16 Fe8 N8 O12 P16 Pd8 -","8","2","","Navratil, Michal; Cisarova, Ivana; Štěpnička, Petr","Synthesis and coordination of hybrid phosphinoferrocenes with extended donor pendants","Dalton Transactions","2022","","","","","10.1039/D2DT02514K","","","0.71073","MoKα","","0.0267","0.0243","","","0.0459","0.0466","","","","","","1.049","","","","has coordinates,has disorder","277697","2022-09-06","22:52:45",""
"7711216","9.172","0.005","13.16","0.008","19.751","0.013","90","","90","","90","","2384","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 Cl2 Co N8 O3 -","- C18 H18 Cl2 Co N8 O3 -","- C72 H72 Cl8 Co4 N32 O12 -","4","1","","Luo, Bo-Hong; Zhao, Si-Yang; Pu, Yong-Li; Zhou, Xiang-Yu; Xie, Jun-Zhou; Chen, Long; Wu, Min; Zhou, Min; Zhang, Hua-Xin","Influence of the pendant groups on electrochemical water oxidation catalyzed by cobalt(II) triazolylpyridine complexes","Dalton Transactions","2022","","","","","10.1039/D2DT01780F","","","0.71073","MoKα","","0.1713","0.1032","","","0.2707","0.3709","","","","","","1.234","","","","has coordinates","277740","2022-09-08","22:50:09",""
"7711365","12.8155","0.0005","14.8725","0.0007","20.4489","0.0009","90","","90","","90","","3897.5","0.3","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H37 Cl4 Cu N2 -","- C46 H37 Cl4 Cu N2 -","- C184 H148 Cl16 Cu4 N8 -","4","1","","Gauthier, Etienne S.; Kaczmarczyk, Dominika; Del Fré, Samuel; Favereau, Ludovic; Caytan, Elsa; Cordier, Marie; Vanthuyne, Nicolas; Williams, J. A. Gareth; Srebro-Hooper, Monika; Crassous, Jeanne","Helicenic N-heterocyclic carbene copper(I) complex displaying circularly polarized blue fluorescence.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt01925f","","x-ray","0.71073","MoKα","","0.0725","0.0581","","","0.1529","0.1638","","","","","","1.031","","","","has coordinates","278256","2022-09-28","23:00:12",""
"7711445","18.4701","0.0005","18.7158","0.0005","25.6171","0.0008","90","","90","","90","","8855.4","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C60 H115 Ce N12 Ni4 O33 -","- C60 H115 Ce N12 Ni4 O33 -","- C240 H460 Ce4 N48 Ni16 O132 -","4","1","","Lan, Bi-Liu; Luo, Ai-Yi; Shao, Bing; Gao, Li-Na; Wei, Qin; Liang, Yu-Ning; Huang, Jin; Zhang, Zhong","Structural evolution from preorganized mononuclear triazamacrocyclic metalloligands to polynuclear metallocages and heterometallic 2D layers: modular architectures, assembly tracking and magnetic properties","Dalton Transactions","2022","","","","","10.1039/D2DT02186B","","","0.71073","MoKα","","0.0567","0.047","","","0.1317","0.1338","","","","","","1.026","","","","has coordinates","278495","2022-10-07","22:56:04",""
"7711491","17.2123","0.0005","25.8184","0.0006","27.5581","0.0008","90","","90","","90","","12246.7","0.6","180","","180","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C136 H116 B2 Cl8 Dy2 F4 N12 -","- C136 H116 B2 Cl8 Dy2 F4 N12 -","- C544 H464 B8 Cl32 Dy8 F16 N48 -","4","1","","Liu, Xiaodong; Zhao, Chen; Wu, Jinjiang; Zhu, Zhenhua; Tang, Jinkui","Air-stable chiral double-decker Dy(III) macrocycle with fluoride ion as sole axial ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02902B","","","0.71073","MoKα","","0.0877","0.0544","","","0.1173","0.1403","","","","","","1.065","","","","has coordinates,has disorder","278597","2022-10-14","22:59:36",""
"7711492","17.2406","0.0006","25.9357","0.001","27.55","0.0012","90","","90","","90","","12318.9","0.8","180","","180","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C135 H114 B2 Cl6 Dy2 F4 N12 -","- C135 H114 B2 Cl6 Dy2 F4 N12 -","- C540 H456 B8 Cl24 Dy8 F16 N48 -","4","1","","Liu, Xiaodong; Zhao, Chen; Wu, Jinjiang; Zhu, Zhenhua; Tang, Jinkui","Air-stable chiral double-decker Dy(III) macrocycle with fluoride ion as sole axial ligand","Dalton Transactions","2022","","","","","10.1039/D2DT02902B","","","0.71073","MoKα","","0.0782","0.05","","","0.1071","0.1244","","","","","","1.057","","","","has coordinates,has disorder","278597","2022-10-14","22:59:36",""
"7711496","5.08543","0.00017","13.1667","0.0006","37.3599","0.0014","90","","90","","90","","2501.56","0.17","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1?[Cu2(R-salmet)2]","1?[Cu2(R-salmet)2]","","- C24 H26 Cu2 N2 O6 S2 -","- C24 H26 Cu2 N2 O6 S2 -","- C96 H104 Cu8 N8 O24 S8 -","4","1","","Maxim, Catalin; Ene, Cristian D.; Nicolau, Ioana; Ruta, Lavinia L.; Farcasanu, Ileana C.","Enantiomeric pairs of copper(ii) complexes with tridentate Schiff bases derived from R- and S-methionine: the role of decorating organic groups of the ligand in crystal packing and biological activity","Dalton Transactions","2022","","","","","10.1039/D2DT02620A","","","0.71073","MoKα","","0.0719","0.0557","","","0.1341","0.145","","","","","","1.027","","","","has coordinates","278619","2022-10-17","22:58:23",""
"7711497","5.0681","0.00012","13.2698","0.0004","37.6991","0.001","90","","90","","90","","2535.37","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1?[Cu2(R-salmet)2(H2O)]","1?[Cu2(R-salmet)2(H2O)]","","- C24 H28 Cu2 N2 O7 S2 -","- C24 H28 Cu2 N2 O7 S2 -","- C96 H112 Cu8 N8 O28 S8 -","4","1","","Maxim, Catalin; Ene, Cristian D.; Nicolau, Ioana; Ruta, Lavinia L.; Farcasanu, Ileana C.","Enantiomeric pairs of copper(ii) complexes with tridentate Schiff bases derived from R- and S-methionine: the role of decorating organic groups of the ligand in crystal packing and biological activity","Dalton Transactions","2022","","","","","10.1039/D2DT02620A","","x-ray","0.71073","MoKα","","0.0289","0.0261","","","0.0593","0.0609","","","","","","1.051","","","","has coordinates","278619","2022-10-17","22:58:24",""
"7711500","5.0896","0.0002","13.1708","0.0006","37.3827","0.0019","90","","90","","90","","2505.9","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 Cu2 N2 O6 S2 -","- C24 H26 Cu2 N2 O6 S2 -","- C96 H104 Cu8 N8 O24 S8 -","4","1","","Maxim, Catalin; Ene, Cristian D.; Nicolau, Ioana; Ruta, Lavinia L.; Farcasanu, Ileana C.","Enantiomeric pairs of copper(ii) complexes with tridentate Schiff bases derived from R- and S-methionine: the role of decorating organic groups of the ligand in crystal packing and biological activity","Dalton Transactions","2022","","","","","10.1039/D2DT02620A","","","0.71073","MoKα","","0.0606","0.0388","","","0.0782","0.0851","","","","","","1.026","","","","has coordinates","278619","2022-10-17","22:58:24",""
"7711518","12.366","0.0002","15.6213","0.0003","21.2384","0.0004","90","","90","","90","","4102.69","0.13","149.99","0.1","149.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Cl2 Cu2 N8 O15 -","- C34 H38 Cl2 Cu2 N8 O15 -","- C136 H152 Cl8 Cu8 N32 O60 -","4","1","","Cai, Dai-Hong; Chen, Bai-Hua; Liu, Qi-Yan; Le, Xue-Yi; He, Liang","Synthesis, structural studies, interaction with DNA/HSA and antitumor evaluation of new Cu(ii) complexes containing 2-(1H-imidazol-2-yl)pyridine and amino acids","Dalton Transactions","2022","","","","","10.1039/D2DT02985E","","x-ray","1.54184","CuKα","","0.0592","0.0573","","","0.1596","0.1623","","","","","","1.053","","","","has coordinates","278675","2022-10-20","22:54:52",""
"7711519","7.81416","0.00006","11.08865","0.0001","20.48225","0.00014","90","","90","","90","","1774.76","0.02","149.98","0.1","149.98","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cl Cu N4 O7 -","- C13 H19 Cl Cu N4 O7 -","- C52 H76 Cl4 Cu4 N16 O28 -","4","1","","Cai, Dai-Hong; Chen, Bai-Hua; Liu, Qi-Yan; Le, Xue-Yi; He, Liang","Synthesis, structural studies, interaction with DNA/HSA and antitumor evaluation of new Cu(ii) complexes containing 2-(1H-imidazol-2-yl)pyridine and amino acids","Dalton Transactions","2022","","","","","10.1039/D2DT02985E","","x-ray","1.54184","CuKα","","0.0197","0.0196","","","0.0534","0.0535","","","","","","1.111","","","","has coordinates,has disorder","278675","2022-10-20","22:54:53",""
"7711589","8.54762","0.0001","11.11838","0.00014","34.2531","0.0004","90","","90","","90","","3255.27","0.07","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cu F6 N4 O8 S2 -","- C25 H28 Cu F6 N4 O8 S2 -","- C100 H112 Cu4 F24 N16 O32 S8 -","4","1","","Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I.","Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes","Dalton Transactions","2022","","","","","10.1039/D2DT02895F","","","1.54184","CuKα","","0.0397","0.0382","","","0.1072","0.1118","","","","","","1.035","","","","has coordinates","278841","2022-10-27","22:57:18",""
"7711602","11.1612","0.0009","17.6966","0.0014","9.082","0.0007","90","","90","","90","","1793.8","0.2","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 B N -","- C24 H18 B N -","- C96 H72 B4 N4 -","4","1","","Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi","Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers","Dalton Transactions","2022","","","","","10.1039/D2DT03303H","","","0.71073","MoKα","","0.1192","0.09","","","0.2258","0.2425","","","","","","1.089","","","","has coordinates","278868","2022-10-29","09:06:37",""
"7711608","9.1093","0.0002","11.4141","0.0003","17.639","0.0004","90","","90","","90","","1834.01","0.08","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 B F3 N -","- C24 H15 B F3 N -","- C96 H60 B4 F12 N4 -","4","1","","Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi","Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers","Dalton Transactions","2022","","","","","10.1039/D2DT03303H","","","0.71073","MoKα","","0.046","0.0366","","","0.0872","0.0896","","","","","","1.042","","","","has coordinates","278868","2022-10-29","09:06:38",""
"7711741","7.8958","0.0004","8.1157","0.0004","19.7202","0.0009","90","","90","","90","","1263.67","0.11","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 Cl2 N O2 Pt S -","- C8 H11 Cl2 N O2 Pt S -","- C32 H44 Cl8 N4 O8 Pt4 S4 -","4","1","","Ryan, Aisling L.; Northcote-Smith, Joshua; Mckeon, Aoife M.; Roe, Andrew; O’Dowd, Paul; Twamley, Brendan; Ní Chonghaile, Triona; Suntharalingam, Kogularamanan; Griffith, Darren Martin","A trans-Pt(II) hedgehog pathway inhibitor complex with cytotoxicity towards breast cancer stem cells and triple negative breast cancer cells","Dalton Transactions","2022","","","","","10.1039/D2DT02865D","","x-ray","0.71073","MoKα","K-L~3~","0.0192","0.0163","","","0.0268","0.0274","","","","","","1.091","","","","has coordinates","279219","2022-11-11","00:00:11",""
"7711780","15.1069","0.0004","15.3402","0.0005","21.6504","0.0006","90","","90","","90","","5017.3","0.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H46 F6 Fe N7 P3 Ru S2 -","- C42 H46 F6 Fe N7 P3 Ru S2 -","- C168 H184 F24 Fe4 N28 P12 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0673","0.0638","","","0.163","0.1667","","","","","","1.067","","","","has coordinates","279335","2022-11-17","00:00:45",""
"7711783","15.3525","0.0005","15.8856","0.0007","21.9881","0.0007","90","","90","","90","","5362.5","0.3","293","2","293","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C89 H102 Cl2 F12 Fe2 N14 P6 Ru2 S4 -","- C89 H102 Cl2 F12 Fe2 N14 P6 Ru2 S4 -","- C178 H204 Cl4 F24 Fe4 N28 P12 Ru4 S8 -","2","0.5","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0855","0.0688","","","0.1789","0.1922","","","","","","1.043","","","","has coordinates","279335","2022-11-17","00:00:49",""
"7711788","15.1864","0.0003","15.4588","0.0003","23.6654","0.0006","90","","90","","90","","5555.8","0.2","293","","293","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C52 H66 Fe I N7 P2 Ru S2 -","- C52 H66 Fe I N7 P2 Ru S2 -","- C208 H264 Fe4 I4 N28 P8 Ru4 S8 -","4","1","","He, Yong; Huang, Ying-Ying; Fu, Jin-Hui; Liu, Yang; Wu, Xin-Tao; Sheng, Tian-Lu","Influence of the electronic effect of an ancillary ligand on MMCT and LMCT in localized cyanide-bridged complexes containing non-innocent ligands.","Dalton transactions (Cambridge, England : 2003)","2022","","","","","10.1039/d2dt03048a","","x-ray","0.71073","MoKα","","0.0598","0.0458","","","0.0929","0.0982","","","","","","1.041","","","","has coordinates","279335","2022-11-17","00:00:50",""
"7711860","13.4794","0.0007","17.0612","0.001","18.2148","0.0008","90","","90","","90","","4188.9","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H65 Bi N2 Si -","- C42 H65 Bi N2 Si -","- C168 H260 Bi4 N8 Si4 -","4","1","","Novák, Pavel; Erben, Milan; Jambor, Roman; Hejda, Martin; Růžička, Aleš; Rychagova, Elena; Ketkov, Sergey; Dostál, Libor","The reactivity of antimony and bismuth <i>N</i>,<i>C</i>,<i>N</i>-pincer compounds toward K[BEt<sub>3</sub>H] - the formation of heterocyclic compounds <i>vs</i>. element-element bonds <i>vs.</i> stable terminal Sb-H bonds.","Dalton transactions (Cambridge, England : 2003)","2022","52","1","218","227","10.1039/d2dt03564b","","","0.71073","MoKα","","0.0755","0.0495","","","0.1141","0.1226","","","","","","1.067","","","","has coordinates,has disorder","283232","2023-05-05","01:39:52",""
"7711896","11.0623","0.0009","17.6935","0.0017","19.5062","0.0019","90","","90","","90","","3818","0.6","123","2","123","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","Carbonyl-eta2-diphenylphosphanylethyne-hydrido{tris(3,4,5-trimethylpyrazolyl)borato}-thiophenolato-tungsten(II)","","- C39 H44 B N6 O P S W -","- C39 H44 B N6 O P S W -","- C156 H176 B4 N24 O4 P4 S4 W4 -","4","1","","Ludwig, Stephan; Hamann, Friederike M.; Helmdach, Kai; Villinger, Alexander; Seidel, Wolfram W.","Tuning the potential of redox-active diphosphine ligands based on the alkyne complexes [Tp*W(CO)L{η<sup>2</sup>-C<sub>2</sub>(PPh<sub>2</sub>)<sub>2</sub>}].","Dalton transactions (Cambridge, England : 2003)","2023","52","2","326","337","10.1039/d2dt02794a","","","0.71073","MoKα","","0.0465","0.0369","","","0.0694","0.0725","","","","","","1.083","","","","has coordinates","283291","2023-05-05","02:11:08",""
"7711917","17.7325","0.0003","19.2862","0.0003","21.029","0.0003","90","","90","","90","","7191.76","0.19","123.15","","123.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H66 Eu F15 O8 P2 -","- C73 H66 Eu F15 O8 P2 -","- C292 H264 Eu4 F60 O32 P8 -","4","1","","Tsurui, Makoto; Kitagawa, Yuichi; Shoji, Sunao; Fushimi, Koji; Hasegawa, Yasuchika","Enhanced circularly polarized luminescence of chiral Eu(III) coordination polymers with structural strain.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","796","805","10.1039/d2dt03422k","","x-ray","0.71073","MoKα","","0.0693","0.0576","","","0.1494","0.1546","","","","","","1.033","","","","has coordinates","283346","2023-05-05","02:41:30",""
"7711918","17.6036","0.0003","20.5986","0.0005","20.7174","0.0005","90","","90","","90","","7512.3","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C76 H66 Eu F21 O8 P2 -","- C76 H66 Eu F21 O8 P2 -","- C304 H264 Eu4 F84 O32 P8 -","4","1","","Tsurui, Makoto; Kitagawa, Yuichi; Shoji, Sunao; Fushimi, Koji; Hasegawa, Yasuchika","Enhanced circularly polarized luminescence of chiral Eu(III) coordination polymers with structural strain.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","796","805","10.1039/d2dt03422k","","","0.71073","MoKα","","0.0953","0.0648","","","0.1669","0.1828","","","","","","0.998","","","","has coordinates,has disorder","283346","2023-05-05","02:41:30",""
"7711931","10.312","0.003","11.182","0.003","16.878","0.005","90","","90","","90","","1946.2","1","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[{κP,κC-(i-Pr)2PO-C6H4}{κN-Et2NOH}NiBr]","","- C16 H29 Br N Ni O2 P -","- C16 H29 Br N Ni O2 P -","- C64 H116 Br4 N4 Ni4 O8 P4 -","4","1","","Sarker, Rajib K.; Mangin, Loïc P; Zargarian, Davit","Reactivities of cyclonickellated complexes with hydroxylamines: formation of κ<sup>O</sup>-hydroxylamine and κ<sup>N</sup>-imine adducts and a κ<sup>O</sup>, κ<sup>N</sup>-aminoxide derivative.","Dalton transactions (Cambridge, England : 2003)","2023","52","2","366","375","10.1039/d2dt02979k","","","1.54178","CuKα","","0.0168","0.0168","","","0.0436","0.0436","","","","","","1.094","","","","has coordinates","283290","2023-05-05","02:09:14",""
"7711978","6.8637","0.0004","8.6169","0.0005","36.4304","0.0019","90","","90","","90","","2154.6","0.2","293","","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 Cl2 F3 Fe N5 O3 S -","- C14 H23 Cl2 F3 Fe N5 O3 S -","- C56 H92 Cl8 F12 Fe4 N20 O12 S4 -","4","1","","Mekhail, Magy A.; Pota, Kristof; Kharel, Sugam; Freire, David M.; Green, Kayla N.","Pyridine modifications regulate the electronics and reactivity of Fe-pyridinophane complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","892","901","10.1039/d2dt03485a","","","0.71073","MoKα","","0.1189","0.1186","","","0.2586","0.2587","","","","","","1.133","","","","has coordinates,has disorder","283275","2023-05-05","01:56:47",""
"7711989","9.9428","0.001","16.8849","0.0017","20.512","0.002","90","","90","","90","","3443.6","0.6","193","2","193.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H58 B Li O3 P -","- C34 H58 B Li O3 P -","- C136 H232 B4 Li4 O12 P4 -","4","1","","Omaña, Alvaro A; Frenette, Brandon L.; Dornsiepen, Eike; Kobayashi, Ryo; Ferguson, Michael J.; Iwamoto, Takeaki; Rivard, Eric","Frustrated Lewis pair-ligated tetrelenes.","Dalton transactions (Cambridge, England : 2003)","2023","52","3","774","786","10.1039/d2dt03807b","","","0.71073","MoKα","","0.0936","0.0579","","","0.1361","0.1595","","","","","","1.027","","","","has coordinates,has disorder","283347","2023-05-05","02:41:57",""
"7712014","12.0937","0.0003","17.3507","0.0005","19.0102","0.0006","90","","90","","90","","3989","0.2","150","0.2","150","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H47 B3 Li O P3 Sn -","- C40 H47 B3 Li O P3 Sn -","- C160 H188 B12 Li4 O4 P12 Sn4 -","4","1","","Izod, Keith; Madlool, Atheer M.; Craig, Alex; Waddell, Paul G.","Phosphido-borane-supported stannates.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","947","954","10.1039/d2dt03587a","","x-ray","0.71073","MoKα","","0.0527","0.037","","","0.0655","0.0717","","","","","","1.043","","","","has coordinates,has disorder","283277","2023-05-05","01:57:44",""
"7712054","16.8482","0.0008","18.347","0.0009","22.5335","0.001","90","","90","","90","","6965.4","0.6","297","2","297.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C86 H52 Ir N5 O2 -","- C86 H52 Ir N5 O2 -","- C344 H208 Ir4 N20 O8 -","4","1","","Tong, Jialin; Yang, Xinyue; Song, Xiaoxian; Liang, Jie; Huang, Shanshan; Mao, Huiting; Akhtar, Mansoor; Liu, Ao; Shan, Guo-Gang; Li, Guangfu","AIE-active Ir(III) complexes as type-I dominant photosensitizers for efficient photodynamic therapy.","Dalton transactions (Cambridge, England : 2003)","2023","52","4","1105","1112","10.1039/d2dt03404b","","x-ray","1.54178","CuKα","","0.0446","0.0378","","","0.0905","0.0949","","","","","","1.02","","","","has coordinates","283279","2023-05-05","01:58:58",""
"7712109","10.842","0.002","18.607","0.004","18.765","0.004","90","","90","","90","","3785.6","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 N2 O2 Sm -","- C41 H59 N2 O2 Sm -","- C164 H236 N8 O8 Sm4 -","4","1","","Peedika Paramban, Ramees; Guo, Zhifang; Deacon, Glen B.; Junk, Peter C.","Formation of a cyclooctatetraenylsamarium(III) inverse sandwich that ring-opens tetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d2dt04164b","","","0.71073","Synchrotron","","0.03","0.0292","","","0.076","0.0767","","","","","","1.04","","","","has coordinates","280340","2023-01-13","23:45:27",""
"7712169","10.5166","0.0003","12.0542","0.0005","14.338","0.0004","90","","90","","90","","1817.62","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cu N5 O6 -","- C16 H17 Cu N5 O6 -","- C64 H68 Cu4 N20 O24 -","4","1","","Li, Xi-Li; Li, Yanan; Wang, Ailing; Gao, Congli; Cui, Minghui; Liu, Cai-Ming; Zhou, Liming","Two temperature-induced 1D Cu<sup>II</sup> chain enantiomeric pairs showing different magnetic properties and nonlinear optical responses.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2440","2447","10.1039/d2dt03787d","","","1.54178","CuKα","","0.0468","0.0451","","","0.1009","0.1015","","","","","","1.1","","","","has coordinates","283237","2023-05-05","01:42:05",""
"7712170","11.307","0.003","12.101","0.003","13.657","0.003","90","","90","","90","","1868.6","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cu N5 O6 -","- C16 H17 Cu N5 O6 -","- C64 H68 Cu4 N20 O24 -","4","1","","Li, Xi-Li; Li, Yanan; Wang, Ailing; Gao, Congli; Cui, Minghui; Liu, Cai-Ming; Zhou, Liming","Two temperature-induced 1D Cu<sup>II</sup> chain enantiomeric pairs showing different magnetic properties and nonlinear optical responses.","Dalton transactions (Cambridge, England : 2003)","2023","52","8","2440","2447","10.1039/d2dt03787d","","","0.71073","MoKα","","0.0558","0.0472","","","0.1191","0.1218","","","","","","1.034","","","","has coordinates","283237","2023-05-05","01:42:08",""
"7712221","6.1544","0.0003","14.5977","0.0006","16.1823","0.0007","90","","90","","90","","1453.82","0.11","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C5 H14 Br2.97 Cl1.03 N2 O Pb -","- C5 H14 Br2.971 Cl1.029 N2 O Pb -","- C20 H56 Br11.884 Cl4.116 N8 O4 Pb4 -","4","1","","Fu, Fan; Liu, Die; Zhao, Lili; Li, Huili; Bai, Xinyu; Chen, Mingzhao; Jiang, Zhilong; Su, Peiyang; Zhong, Wanying; Li, Yiming; Liao, Wei-Ming; He, Jun; Wang, Pingshan","Substituents Make a Difference: 6,6’’-modified Terpyridine Complexes with Helix Configuration and Enhanced Emission","Dalton Transactions","2023","","","","","10.1039/D2DT04006A","","","0.71073","MoKα","","0.059","0.0442","","","0.1106","0.1205","","","","","","1.048","","","","has coordinates","280683","2023-01-31","00:13:46",""
"7712313","8.7409","0.0001","16.5403","0.0002","21.5878","0.0003","90","","90","","90","","3121.1","0.07","100","0.1","100","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","VL203","","- C31 H39 Cl3 N O2 P Pd -","- C31 H39 Cl3 N O2 P Pd -","- C124 H156 Cl12 N4 O8 P4 Pd4 -","4","1","","Nolan, Steven P.; Voloshkin, Vladislav; Belis, Marek; Cazin, Catherine; Peng, Min; Liu, Yaxu; Van Hecke, Kristof","Synthesis, characterization, and reactivity of [Pd(phosphine)(py)Cl2] (PEPPSI) and [Pd(phosphine)Cl2]2 com-plexes","Dalton Transactions","2023","","","","","10.1039/D3DT00293D","","x-ray","1.54184","CuKα","","0.026","0.023","","","0.0526","0.054","","","","","","1.036","","","","has coordinates","280999","2023-02-20","10:10:06",""
"7712329","11.9192","0.0005","13.1713","0.0006","25.8199","0.0007","90","","90","","90","","4053.5","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H60 Cl8 Mn2 N4 -","- C24 H60 Cl8 Mn2 N4 -","- C96 H240 Cl32 Mn8 N16 -","4","1","","Jung, Mi Hee","Long-Lived Spin-Triplet Excitons in Manganese Complexes for Room-Temperature Phosphorescence","Dalton Transactions","2023","","","","","10.1039/D2DT03831E","","","0.71073","MoKα","","0.0319","0.0263","","","0.0737","0.0875","","","","","","0.742","","","","has coordinates","281006","2023-02-20","10:18:04",""
"7712353","7.1788","0.0001","20.8576","0.0004","9.8686","0.0002","90","","90","","90","","1477.65","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 Br N2 O2 Pt -","- C17 H11 Br N2 O2 Pt -","- C68 H44 Br4 N8 O8 Pt4 -","4","1","","Makino, Yusuke; Yoshida, Masaki; Hayashi, Shotaro; Sasaki, Toshiyuki; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako","Elastic and bright assembly-induced luminescent crystal of platinum(II) complexes with near-unity emission quantum yield","Dalton Transactions","2023","","","","","10.1039/D3DT00192J","","x-ray","1.54184","CuKα","","0.0252","0.0235","","","0.0622","0.0628","","","","","","1.063","","","","has coordinates","281083","2023-02-22","09:08:28",""
"7712365","7.7997","0.0013","10.8175","0.0017","18.377","0.004","90","","90","","90","","1550.5","0.5","120","2","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 B2 P S -","- C12 H25 B2 P S -","- C48 H100 B8 P4 S4 -","4","1","","Ordyszewska, Anna; Chojnacki, Jarosław; Grubba, Rafał","Reactivity of triphosphinoboranes towards H3B∙SMe2: Access to derivatives of boraphosphacycloalkanes with diversified substituents","Dalton Transactions","2023","","","","","10.1039/D3DT00116D","","","0.71073","MoKα","","0.063","0.0529","","","0.1372","0.1426","","","","","","1.062","","","","has coordinates","281087","2023-02-22","09:16:28",""
"7712383","13.0982","0.0004","17.1018","0.0004","30.9379","0.0009","90","","90","","90","","6930.2","0.3","193","","193","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C69 H70 Au F6 N O4 P3 Rh S2 -","- C69 H70 Au F6 N O4 P3 Rh S2 -","- C276 H280 Au4 F24 N4 O16 P12 Rh4 S8 -","4","1","","González Alférez, Macarena; Moreno, Juan J.; Maya, Celia; Campos, Jesús","Polarized Au(I)/Rh(I) Bimetallic Pairs Cooperatively Trigger Ligand non-Innocence and Bond Activation","Dalton Transactions","2023","","","","","10.1039/D3DT00410D","","","0.71073","MoKα","","0.0789","0.0408","","","0.0802","0.1006","","","","","","1.104","","","","has coordinates","281104","2023-02-23","08:51:46",""
"7712527","9.4579","0.0004","12.7488","0.0005","13.7855","0.0005","90","","90","","90","","1662.21","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H19 B10 Cl O2 -","- C10 H19 B10 Cl O2 -","- C40 H76 B40 Cl4 O8 -","4","1","","Duan, Hui-Xin; Li, Hao-Nan; Yang, Yong; Wu, Xiao-Jun; Wang, You-Qing","Catalytic asymmetric synthesis of carboranylated diols bearing two adjacent stereocenters located at the α,β-position of <i>o</i>-carborane cage carbon.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00129f","","x-ray","1.54184","CuKα","","0.0527","0.0456","","","0.1191","0.1265","","","","","","1.027","","","","has coordinates","281715","2023-03-07","23:59:21",""
"7712558","8.3459","0.0006","12.9372","0.0009","19.0279","0.0014","90","","90","","90","","2054.5","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl Co N4 O4 -","- C20 H24 Cl Co N4 O4 -","- C80 H96 Cl4 Co4 N16 O16 -","4","1","","Castro-Ruiz, Andrés; Grefe, Lea; Mejía, Esteban; Suman, Sigridur G.","Cobalt complexes with α-amino acid ligands catalyze the incorporation of CO2 into cyclic carbonates","Dalton Transactions","2023","52","13","4186","4199","10.1039/D2DT03595B","","","0.71073","MoKα","","0.0302","0.0279","","","0.077","0.0796","","","","","","1.042","","","","has coordinates","282621","2023-04-13","12:20:55",""
"7712585","14.9498","0.0007","18.4428","0.0012","36.696","0.0019","90","","90","","90","","10117.7","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C90 H20 Ag3 Al F100 O6 -","- C90 H20 Ag3 Al F100 O6 -","- C360 H80 Ag12 Al4 F400 O24 -","4","1","","Billion, Andreas; Schorpp, Marcel; Feser, Rebecca; Schmitt, Manuel; Eisele, Lea; Scherer, Harald; Sonoda, Takaaki; Kawa, Hajimu; Butschke, Burkhard; Krossing, Ingo","The Perfluoroadamantoxy Aluminate as an Ideal Weakly Coordinating Anion? – Synthesis and first Applications.","Dalton Transactions","2023","","","","","10.1039/D3DT00199G","","x-ray","0.71073","MoKα","","0.0499","0.0402","","","0.0782","0.0822","","","","","","1.078","","","","has coordinates,has disorder","281819","2023-03-10","23:59:15",""
"7712625","7.5589","0.0005","13.5752","0.0009","20.015","0.0013","90","","90","","90","","2053.8","0.2","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H31 Cl3 N3 O2 Y -","- C14 H31 Cl3 N3 O2 Y -","- C56 H124 Cl12 N12 O8 Y4 -","4","1","","Wedal, Justin C.; Ziller, Joseph W.; Evans, William J.","Trimethyltriazacyclohexane Coordination Chemistry of Simple Rare-Earth Metal Salts","Dalton Transactions","2023","","","","","10.1039/D3DT00242J","","","0.71073","MoKα","","0.0224","0.0188","","","0.0372","0.0377","","","","","","0.958","","","","has coordinates","281880","2023-03-15","00:04:44",""
"7712647","10.5605","0.0005","20.337","0.001","21.8728","0.0009","90","","90","","90","","4697.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H64 Al N4 P Se -","- C47 H64 Al N4 P Se -","- C188 H256 Al4 N16 P4 Se4 -","4","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.0818","0.0466","","","0.0776","0.0838","","","","","","1.015","","","","has coordinates","281900","2023-03-16","00:02:49",""
"7712648","10.6056","0.0004","20.2557","0.0007","21.7565","0.0007","90","","90","","90","","4673.8","0.3","293","","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H64 Al N4 P S -","- C47 H64 Al N4 P S -","- C188 H256 Al4 N16 P4 S4 -","4","1","","Karmakar, Himadri; Kumar, Ravi; Sharma, Jyoti; Bag, Jayanta; Pal, Kuntal; Panda, Tarun K.; Chandrasekhar, Vadapalli","N^N <i>vs.</i> N^E (E = S or Se) coordination behavior of imino-phosphanamidinate chalcogenide ligands towards aluminum alkyls: efficient hydroboration catalysis of nitriles, alkynes, and alkenes.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt00038a","","","0.71073","MoKα","","0.0496","0.0375","","","0.0862","0.0905","","","","","","1.022","","","","has coordinates","281900","2023-03-16","00:02:49",""
"7712670","12.0729","0.0007","16.071","0.0012","19.3022","0.0014","90","","90","","90","","3745.1","0.4","149.98","","149.98","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H33 B F15 N P2 -","- C37 H33 B F15 N P2 -","- C148 H132 B4 F60 N4 P8 -","4","1","","Kim, Hyehwang; Stephan, Douglas W.","Reactive FLP-alkyne addition products: strategy to anionic and zwitterionic phosphines","Dalton Transactions","2023","","","","","10.1039/D3DT00607G","","","0.71073","MoKα","","0.0915","0.0507","","","0.0898","0.1052","","","","","","1.01","","","","has coordinates","282059","2023-03-24","23:55:16",""
"7712703","9.4043","0.0008","12.9146","0.0014","16.6007","0.0015","90","","90","","90","","2016.2","0.3","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N8 S2 Zn -","- C16 H18 N8 S2 Zn -","- C64 H72 N32 S8 Zn4 -","4","1","","Jiang, Ming; Pang, Jinhui; Jia, Xiaoying; Chu, Yong; Li, Wenjuan; Liang, Hong; Yang, Feng","Development of zinc(II) 2-pyridinecarboxaldehyde thiosemicarbazone complex with remarkable antitumor and antiangiogenic activities","Dalton Transactions","2023","","","","","10.1039/D3DT00148B","","x-ray","0.71073","MoKα","","0.0405","0.0345","","","0.0798","0.0856","","","","","","0.9901","","","","has coordinates","282130","2023-03-29","23:17:20",""
"7712892","10.298","0.0005","14.6532","0.0007","17.2961","0.0009","90","","90","","90","","2610","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N3 O Zn -","- C27 H28 Cl2 N3 O Zn -","- C108 H112 Cl8 N12 O4 Zn4 -","4","1","","Kokina, T. E.; Shekhovtsov, Nikita; Vasilyev, Evgene S.; Glinskaya, Ludmila; Mikheilis, Alexsandr V.; Plyusnin, Victor F.; Tkachev, Alexey V.; Bushuev, Mark B.","Efficient emission of Zn(II) and Cd(II) complexes with nopinane-annelated 4,5-diazafluorene and 4,5-diazafluoren-9-one ligands: how slight structural modification alters fluorescence mechanism","Dalton Transactions","2023","","","","","10.1039/D3DT00904A","","","0.71073","MoKα","","0.0697","0.0419","","","0.0857","0.0941","","","","","","0.997","","","","has coordinates","282913","2023-04-28","22:53:51",""
"7712898","7.7672","0.0005","7.7585","0.0014","23.147","0.006","90","","90","","90","","1394.9","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N O6 -","- C12 H11 N O6 -","- C48 H44 N4 O24 -","4","1","","Zhang, Hong-Ying; Qiu, Shu-Juan; Yang, Huan-Huan; Wang, Meng-Ting; Yang, Jie; Wang, Han-Bin; Liu, Nai-Hao; Chen, Xu-Dong","Cubane-type Tungsten-Iron-Sulfur Clusters with Nitrogen Atom in the Core: Terminal Ligand Substitutions and Redox Behaviors","Dalton Transactions","2023","","","","","10.1039/D3DT00865G","","","1.54178","CuKα","","0.039","0.0343","","","0.0955","0.1009","","","","","","1.095","","","","has coordinates","282934","2023-05-01","22:51:43",""
"7712919","9.2345","0.0002","9.4706","0.0002","24.6581","0.0005","90","","90","","90","","2156.51","0.08","199.99","0.1","199.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cl2 N2 O4 Ti -","- C22 H26 Cl2 N2 O4 Ti -","- C88 H104 Cl8 N8 O16 Ti4 -","4","1","","Taha, Mohammad; Tshuva, Edit Y.","Phenolato Ti(IV) Hexacoordinate Complexes as Anticancer Chemotherapy: Enhancement of Solubility, Hydrolytic Stability, and Cytotoxicity","Dalton Transactions","2023","","","","","10.1039/D3DT00984J","","x-ray","0.71073","MoKα","","0.044","0.0376","","","0.0898","0.0927","","","","","","1.059","","","","has coordinates","282966","2023-05-03","22:58:37",""
"7712930","11.5391","0.0003","13.2808","0.0003","14.9093","0.0004","90","","90","","90","","2284.83","0.1","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H15 N6 O4 Re S -","- C23 H15 N6 O4 Re S -","- C92 H60 N24 O16 Re4 S4 -","4","1","","Stephens, Liam J.; Dallerba, Elena; Kelderman, Jenisi T. A.; Levina, Aviva; Werrett, Melissa V.; Lay, Peter A.; Massi, Massimiliano; Andrews, Philip C.","Synthesis and the photophysical and biological properties of tricarbonyl Re(I) diimine complexes bound to thiotetrazolato ligands.","Dalton transactions (Cambridge, England : 2003)","2023","52","15","4835","4848","10.1039/d2dt03237f","","","0.71073","MoKα","","0.0352","0.0296","","","0.052","0.0538","","","","","","1","","","","has coordinates","282980","2023-05-04","05:23:24",""
"7712942","12.543","0.0003","12.7335","0.0003","18.3899","0.0005","90","","90","","90","","2937.17","0.13","200","2","200","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 Fe O2 S2 Si2 -","- C24 H42 Fe O2 S2 Si2 -","- C96 H168 Fe4 O8 S8 Si8 -","4","1","","Wen, Min; Erb, William; Mongin, Florence; Hurvois, Jean-Pierre; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Blot, Marielle; Roisnel, Thierry","From ferrocene to decasubstituted enantiopure ferrocene-1,1'-disulfoxide derivatives.","Dalton transactions (Cambridge, England : 2003)","2023","52","12","3725","3737","10.1039/d2dt03456e","","x-ray","0.71073","MoKα","","0.042","0.0368","","","0.0898","0.0927","","","","","","1.101","","","","has coordinates,has disorder","282981","2023-05-04","05:27:36",""
"7712964","15.3411","0.0003","16.6809","0.0003","19.9753","0.0004","90","","90","","90","","5111.75","0.17","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H72 Cu3 N3 S3 -","- C51 H72 Cu3 N3 S3 -","- C204 H288 Cu12 N12 S12 -","4","1","","Penki, Venkata Sai Sashankh; Chang, Yu-Lun; Chen, Hsing-Yin; Chu, Yu-Ting; Kuo, Yu-Ting; Dorairaj, Dorothy Priyanka Priyanka; Sudewi, Sri; Ding, Shangwu; Hsu, Sodio C. N.","Denticity Governs on the Formation of β-Thioketiminato Tri-Copper(I) and Mono-Copper(I) Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT00474K","","","0.71073","MoKα","","0.0645","0.0576","","","0.1107","0.1133","","","","","","1.038","","","","has coordinates,has disorder","283539","2023-05-05","22:56:47",""
"7713004","7.23112","0.00015","11.8487","0.0003","18.5359","0.0004","90","","90","","90","","1588.14","0.06","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Au(IBiox-iPr)Cl","","- C13 H20 Au Cl N2 O2 -","- C13 H20 Au Cl N2 O2 -","- C52 H80 Au4 Cl4 N8 O8 -","4","1","","Martynova, Ekaterina A.; Zuccarello, Marco; kronenberg, domenic; Belis, Marek; Cavallo, Luigi; Baudoin, Olivier; Kwit, Marcin; Van Hecke, Kristof; Zhang, Ziyun; czapik, agnieszka; Nolan, Steven P.","Simple synthetic access to [Au(IBiox)Cl] complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01357J","","x-ray","0.71073","MoKα","","0.0925","0.0362","","","0.0412","0.0494","","","","","","1.025","","","","has coordinates","283700","2023-05-11","23:06:46",""
"7713005","7.1537","0.0002","11.7842","0.0003","20.3587","0.0005","90","","90","","90","","1716.25","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","EM392","","- C15 H24 Au Cl N2 O2 -","- C15 H24 Au Cl N2 O2 -","- C60 H96 Au4 Cl4 N8 O8 -","4","1","","Martynova, Ekaterina A.; Zuccarello, Marco; kronenberg, domenic; Belis, Marek; Cavallo, Luigi; Baudoin, Olivier; Kwit, Marcin; Van Hecke, Kristof; Zhang, Ziyun; czapik, agnieszka; Nolan, Steven P.","Simple synthetic access to [Au(IBiox)Cl] complexes","Dalton Transactions","2023","","","","","10.1039/D3DT01357J","","x-ray","0.71073","MoKα","","0.0394","0.0289","","","0.0457","0.049","","","","","","1.017","","","","has coordinates","283700","2023-05-11","23:06:47",""
"7713125","13.6877","0.0003","16.4427","0.0003","16.8054","0.0004","90","","90","","90","","3782.27","0.14","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H45 Cl N2 Pd -","- C44 H45 Cl N2 Pd -","- C176 H180 Cl4 N8 Pd4 -","4","1","","Kong, Lingyu; Chou, Yajie; ALBALAT, Muriel; Jean, Marion; Vanthuyne, Nicolas; Nava, Paola; Humbel, Stéphane; Clavier, Hervé","C2-Symmetric Atropisomeric N-Heterocyclic Carbene-Palladium(II) Complexes: Synthesis, Chiral Resolution and Application in enantioselective α-Arylation of Amides","Dalton Transactions","2023","","","","","10.1039/D3DT01182H","","x-ray","0.71073","MoKα","","0.0661","0.0479","","","0.1048","0.1192","","","","","","1.029","","","","has coordinates","283948","2023-05-22","22:57:21",""
"7713177","14.639","0.005","16.495","0.005","21.095","0.006","90","","90","","90","","5094","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C52 H34 Br8 Cl Fe N4 O6 -","- C52 H34 Br8 Cl Fe N4 O6 -","- C208 H136 Br32 Cl4 Fe4 N16 O24 -","4","1","","Sahoo, Dipankar; Mazumdar, Rakesh; Pramanik, Subhadip; Banerjee, Sayantani; Patra, Ranjan; Rath, Sankar Prasad","Modulation of iron spin states in highly distorted iron(III)porphyrin: H-bonding interactions and implications for the hemoproteins","Dalton Transactions","2023","","","","","10.1039/D3DT00846K","","","0.71073","MoKα","","0.0727","0.0499","","","0.0796","0.0887","","","","","","0.961","","","","has coordinates","284051","2023-05-29","22:51:07",""
"7713235","10.8","0.0009","13.739","0.0014","15.4056","0.0015","90","","90","","90","","2285.9","0.4","173","2","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,1?-(1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(propan-2-ol)cobalt(II) tetrachloridocobaltate","","- C14 H32 Cl4 Co2 N4 O2 -","- C14 H32 Cl4 Co2 N4 O2 -","- C56 H128 Cl16 Co8 N16 O8 -","4","1","","Raymond, Jaclyn; Abozeid, Samira M.; Sokolow, Gregory Evan; Bond, Christopher J.; Yap, Constance E.; Nazarenko, Alexander Y.; Morrow, Janet","Co(II) complexes of tetraazamacrocycles appended with amide or hydroxypropyl groups as paraCEST agents","Dalton Transactions","2023","","","","","10.1039/D3DT01572F","","","0.71073","MoKα","","0.0572","0.0311","","","0.0516","0.0569","","","","","","1.071","","","","has coordinates","284603","2023-06-29","10:39:24",""
"7713237","16.8813","0.0008","18.4751","0.0009","20.4087","0.001","90","","90","","90","","6365.1","0.5","173","2","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2,2'-[4,10-bis(2-hydroxypropyl)-1,4,7,10-tetraazadodecanane-1,7-diyl]diacetamide)cobalt(II) tetrachloridocobaltate monohydrate mono(acetonitrile) solvate","","- C40 H86 Cl8 Co4 N14 O10 -","- C40 H86 Cl8 Co4 N14 O10 -","- C160 H344 Cl32 Co16 N56 O40 -","4","1","","Raymond, Jaclyn; Abozeid, Samira M.; Sokolow, Gregory Evan; Bond, Christopher J.; Yap, Constance E.; Nazarenko, Alexander Y.; Morrow, Janet","Co(II) complexes of tetraazamacrocycles appended with amide or hydroxypropyl groups as paraCEST agents","Dalton Transactions","2023","","","","","10.1039/D3DT01572F","","","0.71073","MoKα","","0.0505","0.0352","","","0.0799","0.0882","","","","","","1.034","","","","has coordinates,has disorder","284603","2023-06-29","10:39:25",""
"7713247","12.1755","0.0001","13.5809","0.0002","20.669","0.0003","90","","90","","90","","3417.71","0.08","102","2","102","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 O5 Sb2 -","- C36 H44 O5 Sb2 -","- C144 H176 O20 Sb8 -","4","1","","Lindquist-Kleissler, Brent; Johnstone, Timothy C.","Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01623d","","x-ray","1.54184","CuKα","","0.0339","0.0325","","","0.0852","0.0864","","","","","","1.078","","","","has coordinates","284608","2023-06-29","10:45:04",""
"7713248","15.1979","0.0005","16.323","0.0008","16.9475","0.0006","90","","90","","90","","4204.3","0.3","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 O2 Sb -","- C24 H27 O2 Sb -","- C192 H216 O16 Sb8 -","8","2","","Lindquist-Kleissler, Brent; Johnstone, Timothy C.","Models of the putative antimony(V)-diolate motifs in antileishmanial pentavalent antimonial drugs.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01623d","","x-ray","1.54184","CuKα","","0.0571","0.0483","","","0.1156","0.1199","","","","","","1.08","","","","has coordinates","284608","2023-06-29","10:45:04",""
"7713260","11.8551","0.0004","11.8538","0.0004","38.9071","0.0011","90","","90","","90","","5467.5","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H58 Cl8 N8 O2 Zn2 -","- C50 H58 Cl8 N8 O2 Zn2 -","- C200 H232 Cl32 N32 O8 Zn8 -","4","1","","Tansky, Maxym; Comito, Robert J.","Bimetallic polymerization of lactide with binaphthol-derived bis-heteroscorpionate dizinc and dimagnesium complexes.","Dalton transactions (Cambridge, England : 2003)","2023","52","25","8784","8791","10.1039/d3dt00592e","","","1.54178","CuKα","","0.0401","0.04","","","0.1118","0.1119","","","","","","1.076","","","","has coordinates,has disorder","284610","2023-06-29","10:47:47",""
"7713288","11.0621","0.0002","18.0532","0.0004","18.0532","0.0004","90","","90","","90","","3605.34","0.13","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cl3 O P2 Re -","- C34 H31 Cl3 O P2 Re -","- C136 H124 Cl12 O4 P8 Re4 -","4","1","","Bai, Wei; Li, Lei; Fu, Yukang; Tang, Junping; Zhao, Yue; Wang, Yilun; Yang, Li","Radical metallacyclopropene: synthesis, structure and aromaticity","Dalton Transactions","2023","","","","","10.1039/D3DT01558K","","","0.71073","MoKα","","0.0346","0.0296","","","0.0729","0.0748","","","","","","1.046","","","","has coordinates","284622","2023-06-29","11:01:06",""
"7713318","9.8987","0.0006","16.3369","0.0012","17.8274","0.0014","90","","90","","90","","2882.9","0.4","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27.5 Bi Br6 N3 O S -","- C18 H27.5 Bi Br6 N3 O S -","- C72 H110 Bi4 Br24 N12 O4 S4 -","4","1","","Cao, Jindong; Liu, Kunjie; Quan, Mingzhen; Hou, An; Jiang, Xingxing; Lin, Zheshuai; Zhao, Jing; Liu, Quanlin","Second harmonic generation from symmetry breaking stimulated by mixed organic cations in zero-dimensional hybrid metal halides.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01209c","","","0.71073","MoKα","","0.0512","0.0376","","","0.0838","0.0891","","","","","","1.024","","","","has coordinates,has disorder","284633","2023-06-29","11:13:44",""
"7713319","9.9212","0.0003","16.2506","0.0005","17.7298","0.0005","90","","90","","90","","2858.5","0.15","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27.23 Br6 N3 O S Sb -","- C18.01 H27.232 Br6 N3 O S Sb -","- C72.04 H108.928 Br24 N12 O4 S4 Sb4 -","4","1","","Cao, Jindong; Liu, Kunjie; Quan, Mingzhen; Hou, An; Jiang, Xingxing; Lin, Zheshuai; Zhao, Jing; Liu, Quanlin","Second harmonic generation from symmetry breaking stimulated by mixed organic cations in zero-dimensional hybrid metal halides.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt01209c","","","0.71073","MoKα","","0.0472","0.0421","","","0.1102","0.1132","","","","","","1.037","","","","has coordinates,has disorder","284633","2023-06-29","11:13:47",""
"7713332","9.5264","0.0002","14.3056","0.0004","16.5364","0.0004","90","","90","","90","","2253.59","0.1","184.99","0.1","184.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H28 Cd I4 N2 -","- C10 H28 Cd I4 N2 -","- C40 H112 Cd4 I16 N8 -","4","1","","Zhang, Si-Yue; Zhang, Zhi-Cheng; Zhang, Tie; Ni, Hao-Fei; Zhang, Zhixu; Fu, Da-Wei; Lu, Hai-Feng","Methyl Regulation Triggers High-Temperature Ferroelastic Phase Transition","Dalton Transactions","2023","","","","","10.1039/D3DT01574B","","x-ray","0.71073","MoKα","","0.0315","0.0281","","","0.0688","0.0714","","","","","","1.06","","","","has coordinates","284731","2023-06-30","22:51:01",""
"7713421","15.7298","0.0003","16.3326","0.0004","47.7251","0.001","90","","90","","90","","12261","0.5","180","","180","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C144 H126 B2 Cl2 Dy2 N18 O2 -","- C132 H108 B2 Cl2 Dy2 N12 O2 -","- C528 H432 B8 Cl8 Dy8 N48 O8 -","4","1","","Zhao, Chen; Wang, Tingting; Liu, Xiaodong; Zhu, Zhenhua; Ying, Xu; Li, Xiao-Lei; Tang, Jinkui","Peroxido-bridged chiral double-decker dysprosium macrocycles","Dalton Transactions","2023","","","","","10.1039/D3DT01540H","","","0.71073","MoKα","","0.0731","0.0474","","","0.113","0.1321","","","","","","1.061","","","","has coordinates","285128","2023-07-10","22:50:21",""
"7713422","15.745","0.0003","16.324","0.0004","47.7781","0.0012","90","","90","","90","","12280","0.5","180","","180","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C144 H126 B2 Cl2 Dy2 N18 O2 -","- C132 H108 B2 Cl2 Dy2 N12 O2 -","- C528 H432 B8 Cl8 Dy8 N48 O8 -","4","1","","Zhao, Chen; Wang, Tingting; Liu, Xiaodong; Zhu, Zhenhua; Ying, Xu; Li, Xiao-Lei; Tang, Jinkui","Peroxido-bridged chiral double-decker dysprosium macrocycles","Dalton Transactions","2023","","","","","10.1039/D3DT01540H","","","0.71073","MoKα","","0.0577","0.0438","","","0.1044","0.1149","","","","","","1.032","","","","has coordinates","285128","2023-07-10","22:50:21",""
"7713439","9.508","0.007","9.719","0.007","16.852","0.013","90","","90","","90","","1557","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 N5 O3 Zn -","- C12 H16 N5 O3 Zn -","- C48 H64 N20 O12 Zn4 -","4","1","","Pandit, Nithun Ranjan; Bej, Sourav; Das, Riyanka; Ghosal, Nirajan; Mondal, Ananya; Pal, Ranjana; Ghosh, Meenakshi; Banerjee, Priyabrata; Biswas, Biplab","Anion directed structural tuning of azomethine derived two Zn2±complexes with optoelectronic recognition of Cu2+ from aqueous medium with Anti-cancer activities: Expedition from micromolar to femtomolar sensitivity with DFT revelation","Dalton Transactions","2023","","","","","10.1039/D3DT01901B","","","0.71073","MoKα","","0.1382","0.0867","","","0.1738","0.1948","","","","","","1.012","","","","has coordinates","285186","2023-07-12","23:00:35",""
"7713465","8.494","0.003","11.359","0.005","13.096","0.005","90","","90","","90","","1263.5","0.9","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H19 B9 O2 -","- C6 H19 B9 O2 -","- C24 H76 B36 O8 -","4","1","","Korábková, Tereza; Bartáček, Jan; Marek, Lukáš; Hanusek, Jiri; R°užička, Aleš; Váňa, Jiří","Switchable Cyclopalladation of Substrates Containing Two Directing Groups: on the Way to Non-symmetrical [2.2]-Dipalladaparacyclophanes","Dalton Transactions","2023","","","","","10.1039/D3DT02019C","","","0.71073","MoKα","","0.0564","0.0442","","","0.0928","0.0978","","","","","","1.079","","","","has coordinates","285207","2023-07-13","23:01:00",""
"7713545","12.268","0.004","19.291","0.007","21.58","0.006","90","","90","","90","","5107","3","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H88.07 Ga3 P2 Ru -","- C48 H88.06 Ga3 P2 Ru -","- C192 H352.24 Ga12 P8 Ru4 -","4","1","","Bühler, Raphael; Muhr, Maximilian; Stephan, Johannes; Wolf, Robert; Schütz, Max; Gemel, Christian; Fischer, Roland A.","Photochemically Generated Reactive Sites at Ruthenium/Gallium Complexes: Catalysis vs. Cluster Growth.","Dalton Transactions","2023","","","","","10.1039/D3DT01847D","","x-ray","0.71073","MoKα","","0.0183","0.0172","","","0.0451","0.0455","","","","","","1.051","","","","has coordinates,has disorder","285302","2023-07-20","22:54:36",""
"7713586","15.10287","0.00019","16.6186","0.0002","17.2511","0.0003","90","","90","","90","","4329.83","0.11","140","0.1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H40 Cl3 F6 P3 Ru -","- C44 H40 Cl3 F6 P3 Ru -","- C176 H160 Cl12 F24 P12 Ru4 -","4","1","","Pereira, Sarah; Romano-deGea, Jan; Barbosa, Ana Isabel; Costa Lima, Sofia A.; Dyson, Paul Joseph; Saraiva, M. Lúcia M.F.S.","Fine-tuning the cytotoxicity of ruthenium(II) arene compounds to enhance selectivity against breast cancers","Dalton Transactions","2023","","","","","10.1039/D3DT02037A","","x-ray","1.54184","CuKα","","0.0404","0.0376","","","0.0998","0.1025","","","","","","1.049","","","","has coordinates,has disorder","285378","2023-07-28","22:56:45",""
"7713587","9.30092","0.00008","10.67827","0.00008","32.0935","0.0002","90","","90","","90","","3187.45","0.04","140","0.1","140","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 Cl F6 N3 P3 Ru -","- C31 H35 Cl F6 N3 P3 Ru -","- C124 H140 Cl4 F24 N12 P12 Ru4 -","4","1","","Pereira, Sarah; Romano-deGea, Jan; Barbosa, Ana Isabel; Costa Lima, Sofia A.; Dyson, Paul Joseph; Saraiva, M. Lúcia M.F.S.","Fine-tuning the cytotoxicity of ruthenium(II) arene compounds to enhance selectivity against breast cancers","Dalton Transactions","2023","","","","","10.1039/D3DT02037A","","x-ray","1.54184","CuKα","","0.0226","0.0215","","","0.0513","0.0517","","","","","","1.038","","","","has coordinates,has disorder","285378","2023-07-28","22:56:45",""
"7713667","12.4989","0.0005","12.5715","0.0005","15.7661","0.0006","90","","90","","90","","2477.33","0.17","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 Cl3 N3 O3 V -","- C21 H31 Cl3 N3 O3 V -","- C84 H124 Cl12 N12 O12 V4 -","4","1","","Zhang, Guoqi; Neary, Michelle C.; Zeng, Haisu; Zheng, Shengping; Tang, Quan; Ates, Selin","Vanadium-catalysed regioselective hydroboration of epoxides for synthesis of secondary alcohols","Dalton Transactions","2023","","","","","10.1039/D3DT01865B","","","0.71073","MoKα","","0.0522","0.0359","","","0.08","0.0867","","","","","","1.053","","","","has coordinates","285587","2023-08-08","22:50:55",""
"7713789","11.6436","0.0008","15.564","0.0011","21.8392","0.0015","90","","90","","90","","3957.7","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H49 F6 N4 O3 Ru Sb -","- C39 H49 F6 N4 O3 Ru Sb -","- C156 H196 F24 N16 O12 Ru4 Sb4 -","4","1","","Lamata, Pilar; Beard, Sophie; Grasa, Alejandro; Viguri, Fernando; Ricardo, Rodriguez Martinez; López, José A.; Lahoz, Fernando J.; García-Orduña, Pilar; Carmona, Daniel","Molecular hydrogen and water activation by transition metal frustrated Lewis pairs containing ruthenium or osmium components: catalytic hydrogenation assays","Dalton Transactions","2023","","","","","10.1039/D3DT02339G","","","0.71073","MoKα","","0.0686","0.0411","","","0.0851","0.0983","","","","","","1.068","","","","has coordinates","285867","2023-08-24","23:00:40",""
"7713793","10.3721","0.0002","12.2081","0.0003","21.1481","0.0005","90","","90","","90","","2677.85","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cl2 Cu N5 O10 -","- C21 H29 Cl2 Cu N5 O10 -","- C84 H116 Cl8 Cu4 N20 O40 -","4","1","","Du, Xiaodi; Gao, Cong-Li; Zhang, Zhiqiang; Su, Bing; Li, Xi-Li","A pair of ionic 1D Cu(II) chain enantiomers simultaneously displaying large second- and third-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT01923C","","","0.71073","MoKα","","0.0824","0.0621","","","0.1527","0.1639","","","","","","1.096","","","","has coordinates","285880","2023-08-25","22:53:47",""
"7713794","10.4203","0.0003","12.3268","0.0003","21.0653","0.0006","90","","90","","90","","2705.82","0.13","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cl2 Cu N5 O10 -","- C21 H29 Cl2 Cu N5 O10 -","- C84 H116 Cl8 Cu4 N20 O40 -","4","1","","Du, Xiaodi; Gao, Cong-Li; Zhang, Zhiqiang; Su, Bing; Li, Xi-Li","A pair of ionic 1D Cu(II) chain enantiomers simultaneously displaying large second- and third-harmonic generation responses","Dalton Transactions","2023","","","","","10.1039/D3DT01923C","","","0.71073","MoKα","","0.082","0.0528","","","0.1113","0.1219","","","","","","0.996","","","","has coordinates","285880","2023-08-25","22:53:48",""
"7713821","12.7929","0.0003","18.4722","0.0004","37.6599","0.0007","90","","90","","90","","8899.5","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(C,R,R)-(Bdan)OsO . CH3OH","(C,R,R)-Oxo(2,3-butanediylbis(2-(2-oxy-3,5-di-tert-butylphenyl)amido)benzoate)osmium methanol solvate","","- C47 H60 N2 O8 Os -","- C47 H60 N2 O8 Os -","- C376 H480 N16 O64 Os8 -","8","2","","Carbonel, Halen; Mikulski, Timothy D.; Nugraha, Kahargyan; Johnston, James; Wang, Yichun; Brown, Seth N.","Optically active bis(aminophenols) and their metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02436A","","","1.54178","CuKα","","0.0279","0.0254","","","0.0575","0.0586","","","","","","1.02","","","","has coordinates","285899","2023-08-29","22:56:18",""
"7713822","14.7503","0.0005","19.4021","0.0006","31.1892","0.0011","90","","90","","90","","8925.9","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(C,R,R)-(Bdan)Pd . 0.25 CH3OH","(C,R,R)-[2,3-butanediyl-di-2-(2-oxy-3,5-di-tert-butylphenyl-imino)benzoate]palladium hemidemimethanol solvate","","- C46.25 H57 N2 O6.25 Pd -","- C46.25 H57 N2 O6.25 Pd -","- C370 H456 N16 O50 Pd8 -","8","2","","Carbonel, Halen; Mikulski, Timothy D.; Nugraha, Kahargyan; Johnston, James; Wang, Yichun; Brown, Seth N.","Optically active bis(aminophenols) and their metal complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02436A","","","0.71073","MoKα","","0.0495","0.0384","","","0.0661","0.0693","","","","","","1.07","","","","has coordinates,has disorder","285899","2023-08-29","22:56:18",""
"7713854","10.279","0.0007","10.361","0.0008","25.022","0.001","90","","90","","90","","2664.9","0.3","293","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 O3 -","- C28 H42 O3 -","- C112 H168 O12 -","4","1","","Kim, Yoseph; Kim, Jaehoon; Lee, Ji Hye; Moon, Hyung kwon; Noh, Gae Hee; Hwang, Hyonseok; Lee, Junseong; Park, Jun Hui; Kim, Youngjo; Park, Myung Hwan","Highly emissive 4-carbazole–appended salen–indium complex: the effect of strong donor–acceptor interaction","Dalton Transactions","2023","","","","","10.1039/D3DT02129G","","","0.7107","MoKα","","","0.0658","","","","0.1297","","","","","","1.612","","","","has coordinates","285956","2023-09-01","22:53:51",""
"7713952","7.818","0.003","13.426","0.006","16.796","0.007","90","","90","","90","","1763","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Cl N3 O Zn -","- C17 H22 Cl N3 O Zn -","- C68 H88 Cl4 N12 O4 Zn4 -","4","1","","Das, Athulya; Sankaralingam, Muniyandi","Are Zn(II) pincer complexes efficient apoptosis inducers? A deeper insight against A549 lung cancer cells","Dalton Transactions","2023","","","","","10.1039/D3DT02419A","","","1.54178","CuKα","","0.0411","0.04","","","0.1092","0.11","","","","","","1.124","","","","has coordinates","286347","2023-09-14","22:57:58",""
"7713953","5.471","0.0011","12.167","0.002","50.751","0.01","90","","90","","90","","3378.3","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C76 H64 N20 O8 -","- C76 H64 N20 O8 -","- C152 H128 N40 O16 -","2","0.5","","Siddique, Rashid G.; Whittaker, Jacob J.; AL-Fayaad, Hydar; McMurtrie, John C.; Clegg, Jack Kay","Remote stereocentres do not disrupt the stereochemical coupling in homochiral [M2L3] helicates and [M4L6] tetrahedra","Dalton Transactions","2023","","","","","10.1039/D3DT02486E","","","0.7108","synchrotron","","0.1487","0.1236","","","0.336","0.3588","","","","","","1.07","","","","has coordinates","286360","2023-09-15","22:51:52",""
"7714047","9.2443","0.0001","10.6401","0.0001","37.94","0.0003","90","","90","","90","","3731.79","0.06","130","2","130","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-methylpyridinium iodobismuthate","","","- C18 H24 Bi2 I9 N3 -","- C18 H24 Bi2 I9 N3 -","- C72 H96 Bi8 I36 N12 -","4","1","","Abdi, Gisya; Gryl, Marlena; Sławek, Andrzej; Kowalewska, Ewelina; Mazur, Tomasz; Podborska, Agnieszka; Mech, Krzysztof; Zawal, Piotr; Pritam, Anurag; Kmita, Angelika; Alluhaibi, Lulu; Maximenko, Alexey; Chakkooth, Vijayakumar; Szacilowski, Konrad","Influence of Crystal Structure and Composition on Optical and Electronic Properties of Pyridinium-based Bismuth Iodide Complexes","Dalton Transactions","2023","","","","","10.1039/D3DT02910G","","x-ray","0.71073","MoKα","","0.0472","0.0405","","","0.0951","0.0978","","","","","","0.94","","","","has coordinates","286597","2023-09-28","22:56:31",""
"7714103","8.8637","0.0009","13.6251","0.0014","15.3577","0.0016","90","","90","","90","","1854.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N2 P -","- C18 H27 N2 P -","- C72 H108 N8 P4 -","4","1","","Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian","Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts","Dalton Transactions","2023","","","","","10.1039/D3DT02690F","","","0.71073","MoKα","","0.0535","0.0393","","","0.0873","0.0937","","","","","","1.023","","","","has coordinates,has disorder","286642","2023-10-03","22:57:13",""
"7714123","5.1711","0.0001","8.6207","0.0001","18.5151","0.0002","90","","90","","90","","825.38","0.02","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H4 Li O10 S2 Sc -","- H4 Li O10 S2 Sc -","- H16 Li4 O40 S8 Sc4 -","4","1","","Geng, Zilong; Tang, Hong-Xin; Fu, Ruibiao; Ma, Zuju; Wu, Xintao","A Lithium-Scandium Sulfate with Second-Harmonic Generation Response and Deep-Ultraviolet Transparency","Dalton Transactions","2023","","","","","10.1039/D3DT03071G","","x-ray","1.3405","GaKα","","0.0222","0.022","","","0.0597","0.0598","","","","","","1.1","","","","has coordinates","286691","2023-10-05","22:50:59",""
"7714124","10.9192","0.0003","10.9751","0.0003","18.2572","0.0005","90","","90","","90","","2187.93","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Bi N6 S3 -","- C18 H21 Bi N6 S3 -","- C72 H84 Bi4 N24 S12 -","4","1","","Kulkarni, Atharva Yeshwant; Karmakar, Gourab; Shah, Alpa Y.; Nigam, Sandeep; Kumbhare, Gayatri; Tyagi, Adish; Butcher, Raymond J.; Chauhan, Rohit Singh; Kumar, N. Naveen","Controlled Synthesis of Photoresponsive Bismuthinite (Bi2S3) Nanostructures Mediated Through a New 1D Bismuth-pyrimidylthiolate Coordination Polymer as Molecular Precursor","Dalton Transactions","2023","","","","","10.1039/D3DT02143B","","","0.41328","synchrotron","","0.0159","0.0157","","","0.0352","0.0352","","","","","","1.044","","","","has coordinates","286832","2023-10-06","22:56:51",""
"7714166","9.4658","0.0007","12.5449","0.0009","18.9905","0.0013","90","","90","","90","","2255.1","0.3","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sn(tbta)2","","","- C20 H38 N4 Sn -","- C20 H38 N4 Sn -","- C80 H152 N16 Sn4 -","4","1","","Park, Hyeonbin; Choi, Heenang; Shin, Sunyoung; Park, Bo Keun; Kang, Kibum; Ryu, Ji Yeon; Eom, Taeyong; Chung, Taek-Mo","Evaluation of tin nitride (Sn<sub>3</sub>N<sub>4</sub>) <i>via</i> atomic layer deposition using novel volatile Sn precursors.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02138f","","","0.71073","MoKa","","0.0181","0.0173","","","0.0446","0.0451","","","","","","1.093","","","","has coordinates","286856","2023-10-09","22:59:12",""
"7714258","10.1971","0.0004","14.3001","0.0005","27.0785","0.0011","90","","90","","90","","3948.6","0.3","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Moiras Complex A","","- C38 H40 Cu2 N4 O8 S2 -","- C38 H40 Cu2 N4 O8 S2 -","- C152 H160 Cu8 N16 O32 S8 -","4","1","","Ojo, Oluwarotimi Stephen; Sale, Halilu; Symes, Mark D.; Wilson, Claire","Synthesis of a chiral dinuclear Cu(II)-benzothiazolamine complex: evidence of cuprophilic interaction in its structure, exploration of its electrochemical property, and catalytic performance.","Dalton Transactions","2023","","","","","10.1039/D3DT02994H","","","0.71073","MoKα","","0.0544","0.0405","","","0.084","0.0896","","","","","","1.013","","","","has coordinates","287040","2023-10-19","22:50:12",""
"7714352","9.922","0.006","15.46","0.01","16.46","0.011","90","","90","","90","","2525","3","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H45 O Rh -","- C27 H45 O Rh -","- C108 H180 O4 Rh4 -","4","1","","Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.","Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates","Dalton Transactions","2023","","","","","10.1039/D3DT03279E","","","0.71073","MoKα","","0.1233","0.0655","","","0.1307","0.1594","","","","","","0.957","","","","has coordinates","287184","2023-11-01","00:01:53",""
"7714392","4.9316","0.0002","12.4514","0.0005","20.7391","0.0009","90","","90","","90","","1273.49","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-methylsalicylaldehyde 2-furoyl hydrazone","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","","Moura, Fagner da Silva; Sobrinho, Ygor S.; Stellet, Carolina; Serna, Jilder D. P.; Ligiero, Carolina B. P.; Yoguim, Maurício I; Cukierman, Daphne S.; Diniz, Renata; Alves, Odivaldo C.; Morgon, Nelson H.; de Souza, Aguinaldo R.; Rey, Nicolás A","Copper(II) complexes of a furan-containing aroylhydrazonic ligand: syntheses, structural studies, solution chemistry and interaction with HSA.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt02597g","","","0.71073","MoKα","","0.0517","0.0384","","","0.098","0.1127","","","","","","1.202","","","","has coordinates,has disorder","287268","2023-11-05","00:15:11",""
"7714443","11.5348","0.0002","12.0028","0.0002","14.9796","0.0003","90","","90","","90","","2073.92","0.06","149.99","0.1","149.99","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Me-tBu-POCN-Ni-Cl","","- C20 H27 Cl N Ni O P -","- C20 H27 Cl N Ni O P -","- C80 H108 Cl4 N4 Ni4 O4 P4 -","4","1","","Mao, Jia-Xue; Chang, Jiarui; Zhang, Jie; Chen, Xuenian","Structures of nickel chloride and thiolate complexes supported by PCN and POCOP pincer ligands and catalytic reactivity of the chloride complexes","Dalton Transactions","2023","","","","","10.1039/D3DT03109H","","x-ray","1.54184","CuKα","","0.0301","0.0289","","","0.0699","0.0712","","","","","","1.063","","","","has coordinates","287500","2023-11-09","23:55:59",""
"7714455","10.081","0.0011","14.5969","0.0016","29.227","0.003","90","","90","","90","","4300.8","0.8","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47.99 H58.99 Ga N4 O2 -","- C48 H59 Ga N4 O2 -","- C192 H236 Ga4 N16 O8 -","4","1","","Puthiyaveetil, Sruthi S.; Kassymbek, Aishabibi; Dmitrienko, Anton; Pilkington, Melanie; Nikonov, Georgii I.","1,3-C-H bond activation on a transient gallium(I)/isocyanate adduct.","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03367h","","","0.71073","MoKα","","0.0393","0.0355","","","0.0835","0.0855","","","","","","1.049","","","","has coordinates,has disorder","287571","2023-11-13","23:54:35",""
"7714555","4.80963","0.00005","10.61773","0.00011","24.017","0.0002","90","","90","","90","","1226.48","0.02","292.85","0.1","292.85","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 O3 P S2 -","- C12 H9 O3 P S2 -","- C48 H36 O12 P4 S8 -","4","1","","Letheux, Geoffrey; Ganesan, Parameshwari; Veillon, Fabien; Varignon, Julien; Perez, Olivier; Cardin, Julien; Labbé, Christophe; Rogez, Guillaume; Ligeour, Mathilde; Jaffrès, Paul-Alain; Rueff, Jean-Michel","A new series of magnetic and luminescent layered hybrid materials obtained from thianthrene phosphonic acid: M(H<sub>2</sub>O)PO<sub>3</sub>-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub> (M = Cu, Zn) and M(H<sub>2</sub>O)<sub>2</sub>(PO<sub>2</sub>OH-S<sub>2</sub>C<sub>12</sub>H<sub>7</sub>)<sub>2</sub> (M = Mn, Co).","Dalton transactions (Cambridge, England : 2003)","2023","","","","","10.1039/d3dt03153e","","x-ray","1.54184","CuKα","","0.0244","0.024","","","0.0658","0.066","","","","","","1.047","","","","has coordinates","287822","2023-11-28","00:02:08",""
"7714633","9.4427","0.0007","16.5209","0.0013","20.958","0.0016","90","","90","","90","","3269.5","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 B Cl F4 N3 Ru -","- C36 H30 B Cl F4 N3 Ru -","- C144 H120 B4 Cl4 F16 N12 Ru4 -","4","1","","Sumithaa, Chezhiyan; Gajda-Morszewski, Przemyslaw; Ishaniya, Wickneswaran; Khamrang, Themmila; Velusamy, Marappan; Bhuvanesh, Nattamai; Brindell, Malgorzata; Mazuryk, Olga; Ganeshpandian, Mani","Design of an anticancer organoruthenium complex as the guest and polydiacetylene-coated fluorogenic nanocarrier as the host: engineering nanocarrier using ene-yne conjugation for sustained guest release, enhanced anticancer activity and reduced <i>in vivo</i> toxicity.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","966","985","10.1039/d3dt03358a","","","0.71073","MoKα","","0.0861","0.0691","","","0.1565","0.1706","","","","","","1.036","","","","has coordinates","289548","2024-02-04","12:07:28",""
"7714644","8.75","0.002","8.991","0.003","15.956","0.005","90","","90","","90","","1255.3","0.6","149.68","","149.68","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H21 B F4.25 N2 -","- C8 H21 B F4.25 N2 -","- C32 H84 B4 F17 N8 -","4","1","","Bedi, Vaibhav; Mandal, Dipendu; Hussain, Zahid; Chen, Shi-Ming; Wu, Yile; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.","The impact of Lewis acid variation on reactions with di-<i>tert</i>-butyl diazo diesters.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","439","443","10.1039/d3dt03506a","","","0.71073","MoKα","","0.0908","0.0744","","","0.1971","0.2216","","","","","","1.0762","","","","has coordinates,has disorder","289525","2024-02-04","12:02:28",""
"7714726","10.0587","0.0006","11.4836","0.0006","15.7711","0.0008","90","","90","","90","","1821.72","0.17","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 Ni O2 -","- C20 H22 N2 Ni O2 -","- C80 H88 N8 Ni4 O8 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.031","0.0294","","","0.0713","0.072","","","","","","1.085","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714727","9.0157","0.0003","14.8412","0.0005","15.2205","0.0005","90","","90","","90","","2036.56","0.12","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 Ni O2 -","- C22 H26 N2 Ni O2 -","- C88 H104 N8 Ni4 O8 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0384","0.0319","","","0.0672","0.0697","","","","","","1.03","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714728","9.1875","0.0007","13.4808","0.001","17.0727","0.0015","90","","90","","90","","2114.5","0.3","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 Ni O2 -","- C23 H28 N2 Ni O2 -","- C92 H112 N8 Ni4 O8 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0582","0.0424","","","0.0747","0.0792","","","","","","1.057","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714729","9.5852","0.0003","15.2321","0.0006","15.8061","0.0005","90","","90","","90","","2307.73","0.14","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 Ni O2 -","- C26 H26 N2 Ni O2 -","- C104 H104 N8 Ni4 O8 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0461","0.033","","","0.0687","0.0736","","","","","","1.028","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714730","9.4289","0.0005","13.1499","0.0006","17.094","0.0009","90","","90","","90","","2119.47","0.19","200","","200","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 Ni O2 -","- C23 H28 N2 Ni O2 -","- C92 H112 N8 Ni4 O8 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0575","0.0424","","","0.0999","0.1097","","","","","","1.035","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714734","9.5632","0.0003","14.2948","0.0005","16.1641","0.0006","90","","90","","90","","2209.7","0.13","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 N2 Ni O2 S -","- C22 H26 N2 Ni O2 S -","- C88 H104 N8 Ni4 O8 S4 -","4","1","","Sanz-Garrido, Jorge; Martin, Avelino; González-Arellano, Camino; Flores, Juan C.","Half-sandwich Ni(II) complexes bearing enantiopure bidentate NHC-carboxylate ligands: efficient catalysts for the hydrosilylative reduction of acetophenones.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1460","1468","10.1039/d3dt03739h","","","0.71073","MoKα","","0.0481","0.0338","","","0.0753","0.0832","","","","","","1.046","","","","has coordinates","289500","2024-02-04","11:56:19",""
"7714804","12.6502","0.0005","13.2027","0.0005","22.541","0.0008","90","","90","","90","","3764.7","0.2","295","","295","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Co F6 N2 O0.25 P3 S2 -","- C36 H32 Co F6 N2 O0.25 P3 S2 -","- C144 H128 Co4 F24 N8 O P12 S8 -","4","1","","Gioftsidou, Dimitra K.; Kallitsakis, Michael G.; Kavaratzi, Konstantina; Hatzidimitriou, Antonios G.; Terzidis, Michael A.; Lykakis, Ioannis N.; Angaridis, Panagiotis A.","Synergy of redox-activity and hemilability in thioamidato cobalt(III) complexes for the chemoselective reduction of nitroarenes to anilines: catalytic and mechanistic investigation.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1469","1481","10.1039/d3dt02923a","","","0.71073","MoKα","","0.0367","0.0305","","0.0541","0.0521","0.0521","","","","","","1.0003","","","","has coordinates","289493","2024-02-04","11:54:13",""
"7714823","10.508","0.002","14.06","0.003","18.959","0.004","90","","90","","90","","2801","1","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H48 Be Br N O Si -","- C25 H48 Be Br N O Si -","- C100 H192 Be4 Br4 N4 O4 Si4 -","4","1","","Hadlington, Terrance J.","An anionic beryllium hydride dimer with an exceedingly short Be⋯Be distance.","Dalton transactions (Cambridge, England : 2003)","2024","53","3","882","886","10.1039/d3dt03976e","","","0.71073","MoKα","","0.062","0.0417","","","0.086","0.0928","","","","","","1.014","","","","has coordinates","289547","2024-02-04","12:07:18",""
"7714838","9.0549","0.0005","17.2496","0.0009","17.9774","0.0009","90","","90","","90","","2808","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 Cl P2 Ru -","- C28 H40 Cl P2 Ru -","- C112 H160 Cl4 P8 Ru4 -","4","1","","Donnelly, Laurie J.; Lin, Jian-Bin; Gelfand, Benjamin S.; Chang, Chia Yun; Piers, Warren E.","Ruthenium polyhydrides supported by rigid PCP pincer ligands: dynamic behaviour and reactions with CO<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","4","1862","1869","10.1039/d3dt04014c","","","1.54178","CuKα","","0.1072","0.0715","","","0.1616","0.1805","","","","","","1.011","","","","has coordinates,has disorder","289496","2024-02-04","11:55:29",""
"7714861","10.0999","0.0006","16.8384","0.0011","19.342","0.001","90","","90","","90","","3289.4","0.3","149.99","","149.99","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 B Cl2 N3 P Si -","- C29 H45 B Cl2 N3 P Si -","- C116 H180 B4 Cl8 N12 P4 Si4 -","4","1","","Major, Christopher J.; Chen, Shi-Ming; Stephan, Douglas W.","Boron diamide derivatives containing N-N and N-P molecular fragments.","Dalton transactions (Cambridge, England : 2003)","2024","53","5","2159","2166","10.1039/d3dt03665k","","","0.71073","MoKα","","0.0473","0.0341","","","0.0689","0.0749","","","","","","1.069","","","","has coordinates","289488","2024-02-04","11:52:31",""
"7714934","10.4466","0.0004","14.3125","0.0006","14.7885","0.0007","90","","90","","90","","2211.13","0.16","153","2","153","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H27 Cl4 Mn2 N O6 -","- C13 H27 Cl4 Mn2 N O6 -","- C52 H108 Cl16 Mn8 N4 O24 -","4","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Chen, Li; Chen, Chao; Ren, Xiao-Ming","Supramolecular crystals of Mn(15-crown-5)(MnCl<sub>4</sub>)(DMF) with dielectric phase transition, high quantum yield and phase transition-induced luminescence enhancement behavior.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2687","2695","10.1039/d3dt03838f","","","0.71073","MoKα","","0.0355","0.0276","","","0.0508","0.0545","","","","","","1.065","","","","has coordinates,has disorder","290183","2024-03-04","20:18:37",""
"7714935","10.2522","0.0004","14.7124","0.0007","15.6349","0.0008","90","","90","","90","","2358.28","0.19","297","2","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H27 Cl4 Mn2 N O6 -","- C13 H27 Cl4 Mn2 N O6 -","- C52 H108 Cl16 Mn8 N4 O24 -","4","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Chen, Li; Chen, Chao; Ren, Xiao-Ming","Supramolecular crystals of Mn(15-crown-5)(MnCl<sub>4</sub>)(DMF) with dielectric phase transition, high quantum yield and phase transition-induced luminescence enhancement behavior.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2687","2695","10.1039/d3dt03838f","","","0.71073","MoKα","","0.0876","0.0517","","","0.1064","0.1295","","","","","","1.065","","","","has coordinates,has disorder","290183","2024-03-04","20:18:39",""
"7714936","10.292","0.002","14.75","0.004","15.679","0.004","90","","90","","90","","2380.2","1","360","2","360","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H27 Cl4 Mn2 N O6 -","- C13 H27 Cl4 Mn2 N O6 -","- C52 H108 Cl16 Mn8 N4 O24 -","4","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Chen, Li; Chen, Chao; Ren, Xiao-Ming","Supramolecular crystals of Mn(15-crown-5)(MnCl<sub>4</sub>)(DMF) with dielectric phase transition, high quantum yield and phase transition-induced luminescence enhancement behavior.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2687","2695","10.1039/d3dt03838f","","","0.71073","MoKα","","0.1072","0.062","","","0.1475","0.1832","","","","","","1.047","","","","has coordinates,has disorder","290183","2024-03-04","20:18:40",""
"7714981","5.4597","0.0005","11.4059","0.0012","18.188","0.0016","90","","90","","90","","1132.62","0.19","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 O3 -","- C15 H10 O3 -","- C60 H40 O12 -","4","1","","Das, Namisha; Bora, Bidisha; Upadhyay, Aarti; Das, Dhananjay; Bera, Arpan; Goswami, Tridib K.","Cu(II) flavonoids as potential photochemotherapeutic agents.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3316","3329","10.1039/d3dt02663a","","","0.71073","MoKα","","0.0514","0.0407","","","0.0872","0.0923","","","","","","1.06","","","","has coordinates","290193","2024-03-04","20:20:30",""
"7715000","8.7055","0.0007","15.5617","0.0012","17.0736","0.0013","90","","90","","90","","2313","0.3","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cd Cl4 N2 S2 -","- C20 H18 Cd Cl4 N2 S2 -","- C80 H72 Cd4 Cl16 N8 S8 -","4","1","","Li, Kai; Ying, Jun; Liu, Tao; Tian, Aixiang; Wang, Xiuli","A series of viologen complexes containing thiophene and Br<sup>-</sup> dual fluorescent chromophores for continuous visual sensing of pH and Hg<sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2741","2748","10.1039/d3dt03415a","","","0.71073","MoKα","","0.0772","0.0697","","","0.1887","0.1931","","","","","","1.119","","","","has coordinates","290177","2024-03-04","20:17:43",""
"7715001","8.6729","0.0004","16.0066","0.0008","17.115","0.0008","90","","90","","90","","2376","0.2","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br4 N2 S2 Zn -","- C20 H18 Br4 N2 S2 Zn -","- C80 H72 Br16 N8 S8 Zn4 -","4","1","","Li, Kai; Ying, Jun; Liu, Tao; Tian, Aixiang; Wang, Xiuli","A series of viologen complexes containing thiophene and Br<sup>-</sup> dual fluorescent chromophores for continuous visual sensing of pH and Hg<sup>2</sup>.","Dalton transactions (Cambridge, England : 2003)","2024","53","6","2741","2748","10.1039/d3dt03415a","","","0.71073","MoKα","","0.0634","0.0388","","","0.0723","0.0829","","","","","","1.025","","","","has coordinates,has disorder","290177","2024-03-04","20:17:44",""
"7715012","8.6197","0.0003","9.7216","0.0004","14.5517","0.0006","90","","90","","90","","1219.39","0.08","136.01","","136.01","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C2 H12 Cl3 N6 Np O2 -","- C2 H12 Cl3 N6 Np O2 -","- C8 H48 Cl12 N24 Np4 O8 -","4","1","","Rajapaksha, Harindu; Benthin, Grant C.; Markun, Emma L.; Mason, Sara E.; Forbes, Tori Z.","Synthesis, characterization, and density functional theory investigation of (CH<sub>6</sub>N<sub>3</sub>)<sub>2</sub>[NpO<sub>2</sub>Cl<sub>3</sub>] and Rb[NpO<sub>2</sub>Cl<sub>2</sub>(H<sub>2</sub>O)] chain structures.","Dalton transactions (Cambridge, England : 2003)","2024","53","7","3397","3406","10.1039/d3dt03630h","","","0.71073","MoKα","","0.0071","0.007","","","0.0174","0.0174","","","","","","1.161","","","","has coordinates","290191","2024-03-04","20:20:09",""
"7715141","10.884","0.0001","16.2724","0.0001","17.2809","0.0001","90","","90","","90","","3060.6","0.04","150","0.1","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H49 Cu N2 -","- C32 H49 Cu N2 -","- C128 H196 Cu4 N8 -","4","1","","Babula, Dawid J.; Charman, Rex S. C.; Hobson, Josie A.; Mahon, Mary F.; Liptrot, David J.","Dial-a-base mechanochemical synthesis of N-heterocyclic carbene copper complexes.","Dalton transactions (Cambridge, England : 2003)","2024","53","9","3990","3993","10.1039/d4dt00334a","","x-ray","1.54184","CuKα","","0.0243","0.0234","","","0.0636","0.0643","","","","","","1.063","","","","has coordinates","290208","2024-03-04","20:24:36",""
"7715215","10.7733","0.0002","12.1983","0.0002","34.4222","0.0006","90","","90","","90","","4523.63","0.14","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H58 B Br N6 Ni O -","- C48 H58 B Br N6 Ni O -","- C192 H232 B4 Br4 N24 Ni4 O4 -","4","1","","Luff, Martin S.; Walther, Luis; Finze, Maik; Radius, Udo","NHC-ligated nickel(II) cyanoborate complexes and salts.","Dalton transactions (Cambridge, England : 2003)","2024","53","12","5391","5400","10.1039/d4dt00231h","","","1.54184","CuKα","","0.0424","0.0391","","","0.0993","0.1011","","","","","","1.041","","","","has coordinates","290978","2024-04-04","23:35:15",""
"7715241","10.264","0.0019","18.797","0.003","22.81","0.004","90","","90","","90","","4400.8","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 Cl4 Ga2 N4 -","- C40 H58 Cl4 Ga2 N4 -","- C160 H232 Cl16 Ga8 N16 -","4","1","","Helling, Christoph; Döhler, Lotta; Kysliak, Oleksandr; Görls, Helmar; Liebing, Phil; Wölper, Christoph; Kretschmer, Robert; Schulz, Stephan","Metal-metal cooperativity boosts Lewis basicity and reduction properties of the bis(gallanediyl) <sup>Cy</sup>L<sub>2</sub>Ga<sub>2</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","11","4922","4929","10.1039/d4dt00172a","","","0.71073","MoKα","","0.0446","0.0312","","","0.0629","0.068","","","","","","1.057","","","","has coordinates","290976","2024-04-04","23:34:21",""
"7715273","10.986","0.005","11.629","0.006","31.308","0.015","90","","90","","90","","4000","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Zn(SSiPh3)2TMEDA","","- C42 H46 N2 S2 Si2 Zn -","- C42 H44 N2 S2 Si2 Zn -","- C168 H176 N8 S8 Si8 Zn4 -","4","1","","Samii, Rouzbeh; Barkas, Essi; Zanders, David; Fransson, Anton; Lahtinen, Manu; Kessler, Vadim; Tuononen, Heikki M.; Moilanen, Jani O.; O'Brien, Nathan J","Synthesis, characterisation and reactivity of a zinc triazenide for potential use in vapour deposition.","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5911","5916","10.1039/d4dt00084f","","","0.71073","MoKα","","0.028","0.026","","","0.0622","0.0629","","","","","","1.045","","","","has coordinates,has disorder","290933","2024-04-04","23:25:23",""
"7715340","7.5495","0.0002","10.6591","0.0003","28.6528","0.0007","90","","90","","90","","2305.72","0.11","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Fe3 N O6 S2 -","- C21 H17 Fe3 N O6 S2 -","- C84 H68 Fe12 N4 O24 S8 -","4","1","","Aguado, Sergio; García-Álvarez, Pablo; Cabeza, Javier A.; Casarrubios, Luis; Sierra, Miguel A.","A cross-metathesis approach for polymetallic [FeFe]-hydrogenase mimics.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3756","3764","10.1039/d3dt04197b","","","1.5418","CuKα","","0.0661","0.0655","","","0.1542","0.1551","","","","","","1.15","","","","has coordinates","290052","2024-03-04","06:28:34",""
"7715348","13.4719","0.0001","14.866","0.0001","24.064","0.0002","90","","90","","90","","4819.38","0.06","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H53 Cl4 Dy2 N7 O15 -","- C31 H46 Cl4 Dy2 N6 O13 -","- C124 H184 Cl16 Dy8 N24 O52 -","4","1","","Qin, Wen-Wen; Long, Bing-Fan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Coordination recognition of differential template units of lanthanide chiral chain.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3675","3684","10.1039/d3dt04028c","","x-ray","1.54184","CuKα","","0.0464","0.0451","","","0.1242","0.1249","","","","","","1.092","","","","has coordinates","290056","2024-03-04","06:30:58",""
"7715349","13.0603","0.0001","17.6285","0.0002","17.9734","0.0002","90","","90","","90","","4138.08","0.07","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H43 Cl4 Dy2 N6 O13 -","- C28 H33 Cl4 Dy2 N6 O10 -","- C112 H132 Cl16 Dy8 N24 O40 -","4","1","","Qin, Wen-Wen; Long, Bing-Fan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Coordination recognition of differential template units of lanthanide chiral chain.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3675","3684","10.1039/d3dt04028c","","x-ray","1.54184","CuKα","","0.0416","0.0403","","","0.1038","0.1046","","","","","","1.045","","","","has coordinates","290056","2024-03-04","06:30:58",""
"7715350","13.075","0.0001","17.6728","0.0002","18.0533","0.0002","90","","90","","90","","4171.61","0.07","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 Cl4 Dy2 N6 O13 -","- C28 H33 Cl4 Dy2 N6 O10 -","- C112 H132 Cl16 Dy8 N24 O40 -","4","1","","Qin, Wen-Wen; Long, Bing-Fan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Coordination recognition of differential template units of lanthanide chiral chain.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3675","3684","10.1039/d3dt04028c","","x-ray","1.54184","CuKα","","0.0406","0.039","","","0.0992","0.1004","","","","","","1.03","","","","has coordinates","290056","2024-03-04","06:30:58",""
"7715351","13.4764","0.0001","14.8666","0.0001","24.0565","0.0002","90","","90","","90","","4819.68","0.06","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H54 Cl4 Dy2 N6 O15 -","- C31 H46 Cl4 Dy2 N6 O13 -","- C124 H184 Cl16 Dy8 N24 O52 -","4","1","","Qin, Wen-Wen; Long, Bing-Fan; Zhu, Zhong-Hong; Wang, Hai-Ling; Liang, Fu-Pei; Zou, Hua-Hong","Coordination recognition of differential template units of lanthanide chiral chain.","Dalton transactions (Cambridge, England : 2003)","2024","53","8","3675","3684","10.1039/d3dt04028c","","x-ray","1.54184","CuKα","","0.0437","0.0431","","","0.1135","0.1138","","","","","","1.115","","","","has coordinates","290056","2024-03-04","06:30:59",""
"7715387","8.4828","0.0002","13.6588","0.0005","15.2488","0.0005","90","","90","","90","","1766.8","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Ga N2 -","- C20 H23 Ga N2 -","- C80 H92 Ga4 N8 -","4","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.04","0.038","","","0.0961","0.0971","","","","","","1.079","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715401","8.4966","0.0002","13.6726","0.0003","15.2417","0.0003","90","","90","","90","","1770.64","0.07","100.01","0.1","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Al N2 -","- C20 H23 Al N2 -","- C80 H92 Al4 N8 -","4","1","","Werner, Luis; Hagn, Julika; Gerstner, Alexander; Radius, Udo","NHC-ligated indenyl- and fluorenyl-substituted Alanes and Gallanes: synthons towards indenyl- and fluorenyl-bridged (AlC)<sub><i>n</i></sub>-heterocycles (<i>n</i> = 2,3).","Dalton transactions (Cambridge, England : 2003)","2024","53","13","5932","5946","10.1039/d4dt00244j","","","1.54184","CuKα","","0.0385","0.0358","","","0.0909","0.0927","","","","","","1.066","","","","has coordinates","290932","2024-04-04","23:25:12",""
"7715440","7.6475","0.0005","17.5134","0.0011","19.0088","0.0012","90","","90","","90","","2545.9","0.3","296","2","296","2","","","","","","","Synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Fe Li N2 O10 -","- C22 H26 Fe Li N2 O10 -","- C88 H104 Fe4 Li4 N8 O40 -","4","1","","Long, Chanreingam; Ray, Manabendra","Water-soluble chiral coordination polymers of Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, and Ba<sup>2+</sup> with an anionic iron(III) complex of a L-threonine derivative and a significant red shift of visible spectra with Al<sup>3+</sup> salt.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6642","6652","10.1039/d3dt03945e","","x-ray","0.71073","MoKα","","0.0317","0.0289","","","0.076","0.0782","","","","","","1.116","","","","has coordinates","291645","2024-05-05","03:05:17",""
"7715441","14.0394","0.0004","17.8936","0.0005","23.9512","0.0007","90","","90","","90","","6016.9","0.3","293","2","293","2","","","","","","","Synthesis","6","P 21 21 21","P 2ac 2ab","19","FeNa","FeNa","","- C49 H72 Fe2 N4 Na2 O23 -","- C49 H72 Fe2 N4 Na2 O23 -","- C196 H288 Fe8 N16 Na8 O92 -","4","1","","Long, Chanreingam; Ray, Manabendra","Water-soluble chiral coordination polymers of Li<sup>+</sup>, Na<sup>+</sup>, K<sup>+</sup>, and Ba<sup>2+</sup> with an anionic iron(III) complex of a L-threonine derivative and a significant red shift of visible spectra with Al<sup>3+</sup> salt.","Dalton transactions (Cambridge, England : 2003)","2024","53","15","6642","6652","10.1039/d3dt03945e","","x-ray","0.71073","MoKα","","0.0597","0.0441","","","0.1111","0.1254","","","","","","0.857","","","","has coordinates","291645","2024-05-05","03:05:17",""
"7715564","4.641","0.0008","13.252","0.003","27.377","0.005","90","","90","","90","","1683.8","0.6","273.15","","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","NK_293","","- C96 H64 N8 O8 -","- C96 H64 N8 O8 -","- C96 H64 N8 O8 -","1","0.25","","Kamboj, Nisha; Dey, Ayan; Birara, Sunita; Majumder, Moumita; Sengupta, Srijan; Metre, Ramesh K.","Designing one-compartment H<sub>2</sub>O<sub>2</sub> fuel cell using electroactive phenalenyl-based [Fe<sub>2</sub>(hnmh-PLY)<sub>3</sub>] complex as the cathode material.","Dalton transactions (Cambridge, England : 2003)","2024","53","16","7152","7162","10.1039/d4dt00134f","","","0.71073","MoKα","","0.0966","0.0653","","","0.1632","0.1897","","","","","","1.14","","","","has coordinates","291628","2024-05-05","02:52:07",""
"7715629","17.0712","0.00016","17.8569","0.00017","26.8416","0.0002","90","","90","","90","","8182.36","0.13","113","","113","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32.33 H34.67 Cl0.67 N2 O2 Pt -","- C32.3333 H34.6667 Cl0.666667 N2 O2 Pt -","- C388 H416 Cl8 N24 O24 Pt12 -","12","3","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted trans-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00273C","","","0.71075","MoKα","","0.0163","0.0152","","","0.0356","0.0358","","","","","","1.025","","","","has coordinates","290764","2024-04-03","22:55:56",""
"7715630","12.075","0.003","10.511","0.002","22.225","0.005","90","","90","","90","","2820.8","1.1","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 N2 O2 Pt -","- C34 H38 N2 O2 Pt -","- C136 H152 N8 O8 Pt4 -","4","1","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted trans-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00273C","","","0.71075","MoKα","","0.0474","0.0341","","","0.0644","0.0684","","","","","","0.991","","","","has coordinates","290764","2024-04-03","22:55:56",""
"7715635","22.1932","0.0006","32.7977","0.0007","32.8261","0.0009","90","","90","","90","","23893.7","1.1","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H42 N2 O2 Pt -","- C36 H42 N2 O2 Pt -","- C1152 H1344 N64 O64 Pt32 -","32","8","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted trans-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00273C","","","0.71075","MoKα","","0.1163","0.0579","","","0.0884","0.1049","","","","","","0.969","","","","has coordinates","290764","2024-04-03","22:55:57",""
"7715636","30.3209","0.0007","9.4282","0.0003","11.2103","0.0003","90","","90","","90","","3204.71","0.15","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 N2 O2 Pt -","- C38 H46 N2 O2 Pt -","- C152 H184 N8 O8 Pt4 -","4","1","","Ikeshita, Masahiro; Ma, Shing Cho; Muller, Gilles; Naota, Takeshi","Linker-dependent control of the chiroptical properties of polymethylene-vaulted trans-bis[(β-iminomethyl)naphthoxy]platinum(II) complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00273C","","","0.71075","MoKα","","0.0406","0.0341","","","0.0876","0.0906","","","","","","1.018","","","","has coordinates","290764","2024-04-03","22:55:57",""
"7715703","18.7698","0.0005","15.2043","0.0003","5.0653","0.0001","90","","90","","90","","1445.54","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 N3 O3 Pt -","- C17 H11 N3 O3 Pt -","- C68 H44 N12 O12 Pt4 -","4","1","","Mochizuki, Takanari; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako","Controlled crystallisation of porous crystals of luminescent platinum(II) complexes by electronic tuning of ancillary ligands","Dalton Transactions","2024","","","","","10.1039/D4DT00713A","","x-ray","1.54184","CuKα","","0.0533","0.05","","","0.1448","0.1485","","","","","","1.114","","","","has coordinates","291150","2024-04-09","22:54:08",""
"7715705","11.9374","0.0002","14.5137","0.0002","23.8247","0.0003","90","","90","","90","","4127.77","0.1","120","0.1","120","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 Fe N10 O13 -","- C38 H44 Fe N10 O13 -","- C152 H176 Fe4 N40 O52 -","4","1","","Jornet-Mollá, Verónica; Rodríguez-Tarrazó, Marina Iris; Dolz Lozano, Miquel Jordi; Giménez-Saiz, Carlos; Romero, Francisco M.","Hydrogen-bonded assemblies of iron(II) spin crossover complexes","Dalton Transactions","2024","","","","","10.1039/D4DT00579A","","","0.71073","MoKα","","0.0879","0.0613","","","0.1145","0.1238","","","","","","1.073","","","","has coordinates","291151","2024-04-09","22:54:36",""
"7715753","12.549","0.0015","21.076","0.003","30.415","0.004","90","","90","","90","","8044.2","1.8","291.81","","291.81","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C300 H266 Fe8 N104 O13 S16 -","- C300 H266 Fe8 N104 O13 S16 -","- C300 H266 Fe8 N104 O13 S16 -","1","0.25","","Wang, Jun-Li; Zhou, Hang-Yue; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Reversible Light-Induced Spin State Switching in a Dinuclear Fe(II) Spin Crossover Complex","Dalton Transactions","2024","","","","","10.1039/D3DT02691D","","","0.71073","MoKα","","0.1178","0.0666","","","0.1601","0.1816","","","","","","1.082","","","","has coordinates,has disorder","291241","2024-04-16","23:07:32",""
"7715754","12.3484","0.001","20.7584","0.0016","30.015","0.002","90","","90","","90","","7693.8","1","90","2","89.94","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C75 H68 Fe2 N26 O4 S4 -","- C75 H68 Fe2 N26 O4 S4 -","- C300 H272 Fe8 N104 O16 S16 -","4","1","","Wang, Jun-Li; Zhou, Hang-Yue; Zhao, Liang; Meng, Yin-Shan; Liu, Tao","Reversible Light-Induced Spin State Switching in a Dinuclear Fe(II) Spin Crossover Complex","Dalton Transactions","2024","","","","","10.1039/D3DT02691D","","","0.71073","MoKα","","0.0966","0.0583","","","0.1086","0.1207","","","","","","1.026","","","","has coordinates,has disorder","291241","2024-04-16","23:07:32",""
"7715798","4.7884","0.0002","9.0172","0.0004","9.5801","0.0004","90","","90","","90","","413.65","0.03","423","2","423","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- F K Mn O4 P -","- F K Mn O4 P -","- F4 K4 Mn4 O16 P4 -","4","1","","Yakubovich, Olga Vsevolodovna; Shvanskaya, Larisa Victorovna; Kiriukhina, Galina; Simonov, Sergey Vladimirovich; Volkov, Anatoly; Dimitrova, Olga; Korolev, Vladimir V.; Ovchenkov, Yevgeny; Vasiliev, Alexander","Crystal structure of KMnPO4F with short and long range order inside the layered magnetic system","Dalton Transactions","2024","","","","","10.1039/D4DT00878B","","","0.71073","MoKα","","0.0241","0.0238","","","0.0652","0.0653","","","","","","1.262","","","","has coordinates","291323","2024-04-22","23:25:48",""
"7715815","5.0408","0.0004","16.6643","0.0013","19.8837","0.0018","90","","90","","90","","1670.3","0.2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N4 -","- C21 H18 N4 -","- C84 H72 N16 -","4","1","","Vorobyeva, Sofia; Bautina, Sof’ya; Shekhovtsov, Nikita; Nikolaenkova, Elena B.; Sukhikh, Taisiya Sergeevna; Golubeva, Yuliya; Klyushova, Lyubov; Krivopalov, Viktor P.; Rakhmanova, Marianna I.; Gourlaouen, Christophe; Bushuev, Mark B.","N^N^C-Cyclometalated rhodium(III) complexes with isomeric pyrimidine-based ligands: unveiling the impact of isomerism on structural motifs, luminescence and cytotoxicity","Dalton Transactions","2024","","","","","10.1039/D4DT00824C","","","0.71073","MoKα","","0.0881","0.0543","","","0.1025","0.1159","","","","","","1.044","","","","has coordinates","291340","2024-04-23","22:52:12",""
"7715934","12.422","0.0006","13.8004","0.0006","18.5331","0.0009","90","","90","","90","","3177.1","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 Cu F3 N4 O3 S -","- C35 H32 Cu F3 N4 O3 S -","- C140 H128 Cu4 F12 N16 O12 S4 -","4","1","","Grasruck, Alexander; Schall, Kristina; Heinemann, Frank W.; Langer, Jens; Herrera, Alberto; Frieß, Sybille; Schmid, Günter; Dorta, Romano","Dibenzoazepine hydrazine is a building block for <i>N</i>-alkene hybrid ligands: exploratory syntheses of complexes of Cu, Fe, and Li.","Dalton transactions (Cambridge, England : 2003)","2024","","","","","10.1039/d4dt00749b","","","0.71073","MoKα","","0.0341","0.0266","","","0.0592","0.0642","","","","","","1.076","","","","has coordinates","291467","2024-05-02","22:57:05",""
"7715988","9.5881","0.0001","17.1596","0.0001","17.2604","0.0001","90","","90","","90","","2839.82","0.04","123.01","0.1","123.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","[K([18]crown-6)][1,2,3-P3C2tBu2]","","- C22 H42 K O6 P3 -","- C22 H42 K O6 P3 -","- C88 H168 K4 O24 P12 -","4","1","","Uttendorfer, Maria Katharina; Hierlmeier, Gabriele; Balazs, Gabor; Wolf, Robert","Access to 1,2,3-triphospholide ligands by reduction of di-tert-butyldiphosphatetrahedrane","Dalton Transactions","2024","","","","","10.1039/D4DT01067A","","x-ray","1.54184","CuKα","","0.0238","0.0236","","","0.0632","0.0634","","","","","","1.069","","","","has coordinates","291779","2024-05-08","23:00:18",""
"7715994","10.8548","0.0016","13.219","0.002","23.317","0.004","90","","90","","90","","3345.7","0.9","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Ce F9 O8 -","- C30 H22 Ce F9 O8 -","- C120 H88 Ce4 F36 O32 -","4","1","","Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardia, Merce; Vicente, Ramon","New series of Mononuclear β-diketonate Cerium(III) Field Induced Single-Molecule Magnets","Dalton Transactions","2024","","","","","10.1039/D4DT00848K","","","0.71073","MoKα","","0.0659","0.0527","","","0.1414","0.1523","","","","","","1.056","","","","has coordinates","291783","2024-05-08","23:02:29",""
"7715995","10.8091","0.0003","14.0772","0.0005","21.079","0.0007","90","","90","","90","","3207.42","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Ce F9 O8 -","- C30 H22 Ce F9 O8 -","- C120 H88 Ce4 F36 O32 -","4","1","","Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardia, Merce; Vicente, Ramon","New series of Mononuclear β-diketonate Cerium(III) Field Induced Single-Molecule Magnets","Dalton Transactions","2024","","","","","10.1039/D4DT00848K","","","0.71073","MoKα","","0.0377","0.0307","","","0.0599","0.0633","","","","","","1.085","","","","has coordinates","291783","2024-05-08","23:02:30",""
"8000036","20.673","0.002","11.733","0.002","18.113","0.003","90","","90","","90","","4393","1","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H43 N7 O6 -","- C51 H43 N7 O6 -","- C204 H172 N28 O24 -","4","1","","Tatsuya Minami; Shigeru Koyamoto; Masayuki Kobayashi; Rika Tanaka; Yasuo Hatanaka","Helical Stereocontrol of 2,6-Bis{(2-arylcarbamoylphenyl)carbamoyl}pyridine Derivatives by Use of Chiral Auxiliaries","Chemistry Letters","2005","34","3","434","","10.1246/cl.2005.434","","","1.5418","CuKα","","","0.0848","","","","0.2418","","","","","","1.807","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8000098","8.2806","0.0003","10.7885","0.0003","11.9985","0.0004","90","","90","","90","","1071.89","0.06","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 I N2 -","- C8 H15 I N2 -","- C32 H60 I4 N8 -","4","1","","Nakakoshi, Masamichi; Shiro, Motoo; Fujimoto, Takashi; Machinami, Tomoya; Seki, Hiroko; Tashiro, Mitsuru; Nishikawa, Keiko","Crystal Structure of 1-Butyl-3-methylimidazolium Iodide","Chemistry Letters","2006","35","12","1400","","10.1246/cl.2006.1400","","","0.71075","MoKα","","","0.0258","","","","0.0602","","","","","","1.11","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000111","10.8286","0.0016","20.198","0.002","29.719","0.003","90","","90","","90","","6500","1.3","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C24 H72 Cl6 Co2 N8 Na4 O40 Pt2 S4 -","- C24 H72 Cl6 Co2 N8 Na4 O40 Pt2 S4 -","- C96 H288 Cl24 Co8 N32 Na16 O160 Pt8 S16 -","4","1","","Igashira-Kamiyama, Asako; Fujioka, Junji; Kodama, Tomoki; Kawamoto, Tatsuya; Konno, Takumi","Anion-controlled Preparation of Chiral S-Bridged CoIIIPtII2 and CoIII2PtII2 Complexes Consisting of [Co(D-penicillaminato-N,O,S)2]− and [Pt(CH3NH2)2]2+ Units","Chemistry Letters","2006","35","5","522","","10.1246/cl.2006.522","","","0.71075","MoKα","","0.034","0.0297","","","0.058","0.0598","","","","","","1.054","","","","has coordinates,has disorder","210358","2020-10-21","18:00:00",""
"8000148","13.859","0.006","18.244","0.007","25.48","0.01","90","","90","","90","","6442","5","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C62 H92 Cl6 O15 -","- C62 H91 Cl6 O15 -","- C248 H364 Cl24 O60 -","4","1","","Yoshida, Sanae; Kito, Keijiro; Ooi, Takashi; Kanoh, Kaneo; Shizuri, Yoshikazu; Kusumi, Takenori","Four Pimarane Diterpenes from Marine Fungus: Chloroform Incorporated in Crystal Lattice for Absolute Configuration Analysis by X-ray","Chemistry Letters","2007","36","11","1386","","10.1246/cl.2007.1386","","","0.7107","MoKα","","","0.059","","","","0.129","","","","","","1","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000149","12.653","0.006","13.068","0.007","25.67","0.01","90","","90","","90","","4245","3","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20.5 H30.5 Cl1.5 O6 -","- C20.5 H30.5 Cl1.5 O6 -","- C164 H244 Cl12 O48 -","8","2","","Yoshida, Sanae; Kito, Keijiro; Ooi, Takashi; Kanoh, Kaneo; Shizuri, Yoshikazu; Kusumi, Takenori","Four Pimarane Diterpenes from Marine Fungus: Chloroform Incorporated in Crystal Lattice for Absolute Configuration Analysis by X-ray","Chemistry Letters","2007","36","11","1386","","10.1246/cl.2007.1386","","","0.7107","MoKα","","","0.036","","","","0.055","","","","","","1.001","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000158","7.7284","0.0002","13.6981","0.0003","25.2319","0.0006","90","","90","","90","","2671.16","0.11","296.1","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium benzoate hydrate","","","- C30 H34 N2 O7 -","- C30 H34 N2 O7 -","- C120 H136 N8 O28 -","4","1","","Watabe, Tsuyoshi; Hisaki, Ichiro; Tohnai, Norimitsu; Miyata, Mikiji","Four Kinds of 21 Helical Assemblies with the Molecular Tilt as Well as Three-directional and Facial Chirality","Chemistry Letters","2007","36","2","234","","10.1246/cl.2007.234","","x-ray","1.54187","CuKα","","","0.0649","","","","0.2151","","","","","","1.129","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8000167","8.4702","0.0012","12.985","0.002","16.275","0.003","90","","90","","90","","1790","0.5","123.1","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 Ir O2 P S2 W -","- C13 H24 Ir O2 P S2 W -","- C52 H96 Ir4 O8 P4 S8 W4 -","4","1","","Arashiba, Kazuya; Tanabe, Yoshiaki; Ishii, Youichi","Synthesis and Reactivities of Sulfido-bridged Ir‒W and Ir‒Re Heterodinuclear Complexes with Imido Ligands","Chemistry Letters","2007","36","5","622","","10.1246/cl.2007.622","","","0.7107","MoKα","","","0.022","","","","0.0254","","","","","","1.005","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000177","8.15","0.004","9.612","0.005","16.02","0.008","90","","90","","90","","1255","1.1","296.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 B F4 N O -","- C12.51 H18 B1.08 F5.49 N1.19 O1.12 -","- C50.04 H72 B4.32 F21.96 N4.76 O4.48 -","4","1","","Yonekuta, Yasunori; Oyaizu, Kenichi; Nishide, Hiroyuki","Structural Implication of Oxoammonium Cations for Reversible Organic One-electron Redox Reaction to Nitroxide Radicals","Chemistry Letters","2007","36","7","866","","10.1246/cl.2007.866","","","0.71075","MoKα","","","0.0872","","","","0.0706","","","","","","2.009","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000181","11.659","0.0003","15.682","0.0003","19.626","0.0006","90","","90","","90","","3588.35","0.16","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C35 H49 Fe N2 O5 P2 Rh -","- C35 H49 Fe N2 O5 P2 Rh -","- C140 H196 Fe4 N8 O20 P8 Rh4 -","4","1","","Kubo, Kazuyuki; Akimoto, Takashi; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Synthesis of a Hetero-bimetallic Complex with an Inorganic Cyclic Framework Using a Bis(iminophosphorane)iron Complex as a Chelating Ligand","Chemistry Letters","2008","37","2","166","","10.1246/cl.2008.166","","","0.71069","MoKα","","0.0559","0.0489","","","0.1013","0.1053","","","","","","1.072","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000183","6.882","0.006","10.123","0.006","22.22","0.03","90","","90","","90","","1548","3","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C64 H64 N8 O16 S4 -","4","1","","Nakao, Yoshiaki; Takeda, Masahide; Chen, Jinshui; Hiyama, Tamejiro; Ichikawa, Yoshitaka; Shintani, Ryo; Hayashi, Tamio","Rhodium-catalyzed Addition of Organo[2-(hydroxymethyl)phenyl]dimethylsilanes to Arenesulfonylimines","Chemistry Letters","2008","37","3","290","","10.1246/cl.2008.290","","","0.71075","MoKα","","","0.0435","","","","0.0486","","","","","","1.014","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8000200","4.4782","0.0004","11.8813","0.001","21.849","0.003","90","","90","","90","","1162.5","0.2","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H3 F7 O2 -","- C14 H3 F7 O2 -","- C56 H12 F28 O8 -","4","1","","Peng, Yu; Ye, Huanqing; Li, Zhe; Motevalli, Majid; Hernández, Ignacio; Gillin, William P.; Wyatt, Peter B.","Visible-Range Sensitization of Er3±Based Infrared Emission from Perfluorinated 2-Acylphenoxide Complexes","The Journal of Physical Chemistry Letters","2014","5","9","1560","","10.1021/jz500519e","","","0.71075","MoKα","","0.1131","0.0641","","","0.1146","0.1352","","","","","","1.039","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000227","10.73807","0.00019","18.8417","0.0003","27.9758","0.0005","90","","90","","90","","5660.16","0.17","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C66 H78 O6 -","- C66 H78 O6 -","- C264 H312 O24 -","4","1","","Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi","Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies.","The journal of physical chemistry letters","2016","7","5","783","788","10.1021/acs.jpclett.6b00179","","","1.54187","CuKα","","","0.0661","","","","0.1876","","","","","","1.055","","","","has coordinates","177426","2020-10-21","18:00:00",""
"8000240","6.2782","0.0002","11.0313","0.0003","20.7739","0.0007","90","","90","","90","","1438.73","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","204","","","- C18 H16 O2 S -","- C18 H16 O2 S -","- C72 H64 O8 S4 -","4","1","","Wiedbrauk, Sandra; Maerz, Benjamin; Samoylova, Elena; Mayer, Peter; Zinth, Wolfgang; Dube, Henry","Ingredients to TICT Formation in Donor Substituted Hemithioindigo.","The journal of physical chemistry letters","2017","8","7","1585","1592","10.1021/acs.jpclett.7b00371","","","0.71073","MoKα","","0.0423","0.037","","","0.0877","0.0906","","","","","","1.073","","","","has coordinates","196162","2020-10-21","18:00:00",""
"8000287","7.472","0.002","9.4907","0.0006","9.7169","0.0008","90","","90","","90","","689.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0257","0.0257","","0.0307","0.0307","0.0824","","","3.0967","3.0967","3.0967","","","","","has coordinates,has disorder","220563","2020-10-21","18:00:00",""
"8000288","7.472","0.002","9.4907","0.0006","9.7169","0.0008","90","","90","","90","","689.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0173","0.0173","","0.0153","0.0153","0.0824","","","1.5629","1.5629","1.5629","","","","","has coordinates,has disorder","220563","2020-10-21","18:00:00",""
"8000289","7.472","0.002","9.4907","0.0006","9.7169","0.0008","90","","90","","90","","689.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0178","0.0178","","0.0162","0.0162","0.0824","","","1.659","1.659","1.659","","","","","has coordinates,has disorder","220563","2020-10-21","18:00:00",""
"8000290","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0245","0.0245","","0.0297","0.0297","0.061","","","2.4429","2.4429","2.4429","","","","","has coordinates,has disorder","220564","2020-10-21","18:00:00",""
"8000291","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0161","0.0161","","0.0153","0.0153","0.061","","","1.2718","1.2718","1.2718","1.078","","","","has coordinates,has disorder","220564","2020-10-21","18:00:00",""
"8000292","7.4583","0.0004","9.4892","0.0007","9.7301","0.0006","90","","90","","90","","688.63","0.08","12","2","12","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Gly-Ala_HAR-ELMO_12K","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0167","0.0167","","0.0162","0.0162","0.061","","","1.3447","1.3447","1.3447","1.078","","","","has coordinates,has disorder","220564","2020-10-21","18:00:00",""
"8000293","7.462","0.001","9.49","0.002","9.727","0.0001","90","","90","","90","","688.81","0.17","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0258","0.0258","","0.0295","0.0295","0.0647","","","2.1406","2.1406","2.1406","","","","","has coordinates,has disorder","220565","2020-10-21","18:00:00",""
"8000294","7.462","0.001","9.49","0.002","9.727","0.0001","90","","90","","90","","688.81","0.17","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0179","0.0179","","0.0167","0.0167","0.0647","","","1.2239","1.2239","1.2239","1.037","","","","has coordinates,has disorder","220565","2020-10-21","18:00:00",""
"8000295","7.462","0.001","9.49","0.002","9.727","0.0001","90","","90","","90","","688.81","0.17","50","2","50","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0187","0.0187","","0.0179","0.0179","0.0647","","","1.3097","1.3097","1.3097","1.037","","","","has coordinates,has disorder","220565","2020-10-21","18:00:00",""
"8000296","7.529","0.002","9.516","0.001","9.688","0.001","90","","90","","90","","694.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0299","0.0299","","0.0298","0.0298","0.0746","","","2.739","2.739","2.739","","","","","has coordinates,has disorder","220566","2020-10-21","18:00:00",""
"8000297","7.529","0.002","9.516","0.001","9.688","0.001","90","","90","","90","","694.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0193","0.0193","","0.0153","0.0153","0.0746","","","1.4226","1.4226","1.4226","","","","","has coordinates,has disorder","220566","2020-10-21","18:00:00",""
"8000298","7.529","0.002","9.516","0.001","9.688","0.001","90","","90","","90","","694.1","0.2","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0206","0.0206","","0.0167","0.0167","0.0746","","","1.5517","1.5517","1.5517","","","","","has coordinates,has disorder","220566","2020-10-21","18:00:00",""
"8000299","7.487","0.002","9.496","0.0001","9.7099","0.0004","90","","90","","90","","690.34","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0251","0.0251","","0.0291","0.0291","0.0642","","","3.0926","3.0926","3.0926","1.095","","","","has coordinates,has disorder","220567","2020-10-21","18:00:00",""
"8000300","7.487","0.002","9.496","0.0001","9.7099","0.0004","90","","90","","90","","690.34","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0161","0.0161","","0.0142","0.0142","0.0642","","","1.5282","1.5282","1.5282","","","","","has coordinates,has disorder","220567","2020-10-21","18:00:00",""
"8000301","7.487","0.002","9.496","0.0001","9.7099","0.0004","90","","90","","90","","690.34","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Glycil-L-Alanine","Glycil-L-Alanine","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.5259","synchrotron","","0.0168","0.0168","","0.0154","0.0154","0.0642","","","1.6507","1.6507","1.6507","","","","","has coordinates,has disorder","220567","2020-10-21","18:00:00",""
"8000309","5.9587","0.0002","12.2796","0.0004","5.7876","0.0002","90","","90","","90","","423.48","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0269","0.0269","","0.0295","0.0295","0.065","","","4.1247","4.1247","4.1247","","","","","has coordinates,has disorder","220570","2020-10-21","18:00:00",""
"8000310","5.9587","0.0002","12.2796","0.0004","5.7876","0.0002","90","","90","","90","","423.48","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0198","0.0198","","0.0149","0.0149","0.065","","","2.0966","2.0966","2.0966","1.113","","","","has coordinates,has disorder","220570","2020-10-21","18:00:00",""
"8000311","5.9587","0.0002","12.2796","0.0004","5.7876","0.0002","90","","90","","90","","423.48","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0204","0.0204","","0.0164","0.0164","0.065","","","2.2979","2.2979","2.2979","1.113","","","","has coordinates,has disorder","220570","2020-10-21","18:00:00",""
"8000312","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0284","0.0284","","0.0317","0.0317","0.0694","","","2.28","2.28","2.28","","","","","has coordinates,has disorder","220571","2020-10-21","18:00:00",""
"8000313","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0195","0.0195","","0.0163","0.0163","0.0694","","","1.1829","1.1829","1.1829","1.071","","","","has coordinates,has disorder","220571","2020-10-21","18:00:00",""
"8000314","5.9279","0.001","12.2597","0.0017","5.7939","0.0009","90","","90","","90","","421.07","0.11","23","","23","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0204","0.0204","","0.0178","0.0178","0.0694","","","1.2913","1.2913","1.2913","1.071","","","","has coordinates,has disorder","220571","2020-10-21","18:00:00",""
"8000315","5.9596","0.0002","12.2828","0.0003","5.7899","0.0001","90","","90","","90","","423.824","0.019","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0279","0.0279","","0.033","0.033","0.0739","","","2.6228","2.6228","2.6228","1.106","","","","has coordinates,has disorder","220572","2020-10-21","18:00:00",""
"8000316","5.9596","0.0002","12.2828","0.0003","5.7899","0.0001","90","","90","","90","","423.824","0.019","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.0202","0.0202","","0.0222","0.0222","0.0739","","","1.7754","1.7754","1.7754","1.106","","","","has coordinates,has disorder","220572","2020-10-21","18:00:00",""
"8000317","5.9596","0.0002","12.2828","0.0003","5.7899","0.0001","90","","90","","90","","423.824","0.019","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Alanine","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","x-ray","0.71073","MoKα","","0.021","0.021","","0.0235","0.0235","0.0739","","","1.877","1.877","1.877","1.106","","","","has coordinates,has disorder","220572","2020-10-21","18:00:00",""
"8000318","10.851","0.004","13.095","0.003","21.192","0.004","90","","90","","90","","3011.3","1.4","","","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leu-enkephalin trihydrate","","","- C28 H43 N5 O10 -","- C28 H43 N5 O10 -","- C112 H172 N20 O40 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.71073","MoKα","","0.0557","0.0557","","0.0337","0.0337","","","","1.0304","1.0304","1.0304","","","","","has coordinates,has disorder","220573","2020-10-21","18:00:00",""
"8000319","10.851","0.004","13.095","0.003","21.192","0.004","90","","90","","90","","3011.3","1.4","","","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leu-enkephalin trihydrate","","","- C28 H43 N5 O10 -","- C28 H43 N5 O10 -","- C112 H172 N20 O40 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.71073","MoKα","","0.0423","0.0423","","0.0232","0.0232","","","","0.7104","0.7104","0.7104","","","","","has coordinates,has disorder","220573","2020-10-21","18:00:00",""
"8000320","10.851","0.004","13.095","0.003","21.192","0.004","90","","90","","90","","3011.3","1.4","","","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leu-enkephalin trihydrate","","","- C28 H43 N5 O10 -","- C28 H43 N5 O10 -","- C112 H172 N20 O40 -","4","1","","Malaspina, Lorraine A.; Wieduwilt, Erna K.; Bergmann, Justin; Kleemiss, Florian; Meyer, Benjamin; Ruiz-López, Manuel F; Pal, Rumpa; Hupf, Emanuel; Beckmann, Jens; Piltz, Ross O.; Edwards, Alison J.; Grabowsky, Simon; Genoni, Alessandro","Fast and Accurate Quantum Crystallography: From Small to Large, from Light to Heavy.","The journal of physical chemistry letters","2019","","","6973","6982","10.1021/acs.jpclett.9b02646","","","0.71073","MoKα","","0.043","0.043","","0.0242","0.0242","","","","0.7383","0.7383","0.7383","","","","","has coordinates,has disorder","220573","2020-10-21","18:00:00",""
"8000354","4.266","0.005","13.533","0.005","19.669","0.005","90","0.005","90","0.005","90","0.005","1135.5","1.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Br -","- C16 H9 Br -","- C64 H36 Br4 -","4","1","","Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh","Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores.","The journal of physical chemistry letters","2016","7","22","4751","4756","10.1021/acs.jpclett.6b02310","","","0.71073","MoKα","","0.0591","0.0379","","","0.0744","0.0851","","","","","","1.1","","","","has coordinates","236650","2020-10-21","18:00:00",""
"8000396","7.54153","0.00019","12.0777","0.0004","45.1161","0.0016","90","","90","","90","","4109.4","0.2","295.65","0.1","295.65","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Cu4 I4 N4 -","- C32 H44 Cu4 I4 N4 -","- C128 H176 Cu16 I16 N16 -","4","1","","Yao, Li; Niu, Guangda; Li, Junze; Gao, Liang; Luo, Xufeng; Xia, Bing; Liu, Yuhao; Du, Peipei; Li, Dehui; Chen, Chao; Zheng, Youxuan; Xiao, Zewen; Tang, Jiang","Circularly Polarized Luminescence from Chiral Tetranuclear Copper(I) Iodide Clusters.","The journal of physical chemistry letters","2020","","","1255","1260","10.1021/acs.jpclett.9b03478","","x-ray","1.54184","CuKα","","0.0551","0.0418","","","0.0992","0.108","","","","","","1.016","","","","has coordinates","247448","2020-10-21","18:00:00",""
"8000397","7.54722","0.00004","12.06809","0.00005","45.0822","0.0002","90","","90","","90","","4106.11","0.03","294.7","0.2","294.7","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H44 Cu4 I4 N4 -","- C32 H44 Cu4 I4 N4 -","- C128 H176 Cu16 I16 N16 -","4","1","","Yao, Li; Niu, Guangda; Li, Junze; Gao, Liang; Luo, Xufeng; Xia, Bing; Liu, Yuhao; Du, Peipei; Li, Dehui; Chen, Chao; Zheng, Youxuan; Xiao, Zewen; Tang, Jiang","Circularly Polarized Luminescence from Chiral Tetranuclear Copper(I) Iodide Clusters.","The journal of physical chemistry letters","2020","","","1255","1260","10.1021/acs.jpclett.9b03478","","x-ray","1.54178","CuKα","","0.0298","0.0295","","","0.0738","0.074","","","","","","1.095","","","","has coordinates","247449","2020-10-21","18:00:00",""
"8000415","7.3855","0.0002","9.2351","0.0003","24.6276","0.0008","90","","90","","90","","1679.75","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 -","- C18 H19 N O6 -","- C72 H76 N4 O24 -","4","1","","Xue, Shixin; Zhang, Nan; Hu, Xiaoling; Zeng, Yongfei; Zhang, Jingbo; Xing, Pengyao; Zhao, Yanli","Self-Assembly Evolution of <i>N</i>-Terminal Aromatic Amino Acids with Transient Supramolecular Chirality.","The journal of physical chemistry letters","2020","11","4","1490","1496","10.1021/acs.jpclett.0c00033","","","1.54178","CuKα","","0.0324","0.0315","","","0.0777","0.0787","","","","","","1.083","","","","has coordinates","248718","2020-10-21","18:00:00",""
"8000430","11.0166","0.0002","12.3581","0.0003","22.5772","0.0006","90","","90","","90","","3073.76","0.12","173","0.1","173","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Cl2 Fe N2 O6 -","- C31 H30 Cl2 Fe N2 O6 -","- C124 H120 Cl8 Fe4 N8 O24 -","4","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.1566","0.1435","","","0.3263","0.335","","","","","","1.117","","","","has coordinates,has disorder","252623","2020-10-21","18:00:00",""
"8000431","11.0155","0.0002","12.3587","0.0003","22.5754","0.0005","90","","90","","90","","3073.35","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Cl2 Fe N2 O6 -","- C31 H30 Cl2 Fe N2 O6 -","- C124 H120 Cl8 Fe4 N8 O24 -","4","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","","1.54178","CuKα","","0.1411","0.1365","","","0.3295","0.3326","","","","","","1.088","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000434","5.4967","0.0003","13.8112","0.0006","19.849","0.0009","90","","90","","90","","1506.86","0.13","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(4-Iodobenzyl)-9H-Carbazole","9-(4-Iodobenzyl)-9H-Carbazole","","- C19 H14 I N -","- C19 H14 I N -","- C76 H56 I4 N4 -","4","1","","Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui","Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly.","The journal of physical chemistry letters","2020","11","13","4962","4969","10.1021/acs.jpclett.0c01272","","","0.71073","MoKα","","0.0328","0.0274","","","0.0616","0.0656","","","","","","1.046","","","","has coordinates","253750","2020-10-21","18:00:00",""
"8000435","5.5364","0.0006","13.6786","0.0014","19.513","0.002","90","","90","","90","","1477.7","0.3","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(4-bromobenzyl)-9H-carbazole","9-(4-bromobenzyl)-9H-carbazole","","- C19 H14 Br N -","- C19 H14 Br N -","- C76 H56 Br4 N4 -","4","1","","Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui","Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly.","The journal of physical chemistry letters","2020","11","13","4962","4969","10.1021/acs.jpclett.0c01272","","","0.71073","MoKα","","0.0457","0.0312","","","0.071","0.0766","","","","","","1.021","","","","has coordinates","253750","2020-10-21","18:00:00",""
"8000449","3.9649","0.0002","5.7919","0.0004","25.7992","0.0016","90","","90","","90","","592.46","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","potassium 2-furoate","furan-2-carboxylic acid, potassium salt (1:1)","","- C5 H3 K O3 -","- C5 H3 K O3 -","- C20 H12 K4 O12 -","4","1","","Frankhouser, Amy D.; Kanan, Matthew W.","Phase Behavior That Enables Solvent-Free Carbonate-Promoted Furoate Carboxylation.","The journal of physical chemistry letters","2020","","","7544","7551","10.1021/acs.jpclett.0c02210","","x-ray","0.71073","MoKα","","0.0355","0.029","","","0.0552","0.0572","","","","","","1.079","","","","has coordinates","255698","2020-10-21","18:00:00",""
"8000453","11.6357","0.0006","12.2736","0.0006","16.6608","0.0007","90","","90","","90","","2379.4","0.2","282","2","282","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H Mn N10 O -","- C18 H Mn N10 O -","- C72 H4 Mn4 N40 O4 -","4","1","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.0804","0.0623","","","0.1837","0.1943","","","","","","1.085","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000469","8.264","0.004","8.901","0.002","8.9223","0.0014","90","0","90","0","90","0","656.3","0.4","122.4","0.5","122.4","0.5","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","xylitol","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Wieduwilt, Erna K.; Macetti, Giovanni; Genoni, Alessandro","Climbing Jacob’s Ladder of Structural Refinement: Introduction of a Localized Molecular Orbital-Based Embedding for Accurate X-ray Determinations of Hydrogen Atom Positions","The Journal of Physical Chemistry Letters","2020","","","463","471","10.1021/acs.jpclett.0c03421","","","0.71073","MoKα","","0.018","0.018","","0.013","0.013","","0.0327","","0.8238","0.8238","0.8238","","","","","has coordinates,has disorder","288574","2023-12-31","01:38:45",""
"8000520","14.844","0.008","18.882","0.01","20.014","0.01","90","","90","","90","","5610","5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H49 Eu F9 N3 O11 -","- C59 H49 Eu F9 N3 O11 -","- C236 H196 Eu4 F36 N12 O44 -","4","1","","Okayasu, Yoshinori; Yuasa, Junpei","Structure Determination of Europium Complexes in Solution Using Crystal-Field Splitting of the Narrow <i>f</i>-<i>f</i> Emission Lines.","The journal of physical chemistry letters","2021","","","6867","6874","10.1021/acs.jpclett.1c01885","","","0.71073","MoKα","","0.0258","0.0224","","","0.0524","0.0545","","","","","","0.713","","","","has coordinates,has disorder","267659","2021-07-21","00:02:02",""
"8000526","8.055","0.004","10.096","0.006","11.687","0.005","90","","90","","90","","950.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Liu, Xiaoqing; Pan, Yanyan; Lei, Yunxiang; Liu, Nannan; Dai, Wenbo; Liu, Miaochang; Cai, Zhengxu; Wu, Huayue; Huang, Xiaobo; Dong, Yuping","Influence of Guest/Host Morphology on Room Temperature Phosphorescence Properties of Pure Organic Doped Systems.","The journal of physical chemistry letters","2021","","","7357","7364","10.1021/acs.jpclett.1c01893","","","0.71073","MoKα","","0.0404","0.0342","","","0.0799","0.0845","","","","","","1.035","","","","has coordinates","267833","2021-07-30","23:59:28",""
"8000551","13.117","0.003","24.758","0.004","37.628","0.007","90","","90","","90","","12220","4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C92 H64 Ag6 N28 O31 Yb2 -","- C92 H64 Ag6 N28 O31 Yb2 -","- C368 H256 Ag24 N112 O124 Yb8 -","4","1","","Zakrzewski, Jakub J.; Kumar, Kunal; Zychowicz, Mikolaj; Jankowski, Robert; Wyczesany, Maciej; Sieklucka, Barbara; Ohkoshi, Shin-Ichi; Chorazy, Szymon","Combined Experimental and Ab Initio Methods for Rationalization of Magneto-Luminescent Properties of Yb<sup>III</sup> Nanomagnets Embedded in Cyanido/Thiocyanidometallate-Based Crystals.","The journal of physical chemistry letters","2021","","","10558","10566","10.1021/acs.jpclett.1c02942","","x-ray","0.71073","MoKα","","0.123","0.095","","","0.2356","0.254","","","","","","1.089","","","","has coordinates,has disorder","270298","2021-11-04","02:02:25",""
"8100047","10.7723","0.0009","11.7128","0.0008","33.392","0.003","90","","90","","90","","4213.2","0.6","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H66 Fe N4 O6 -","- C42 H66 Fe N4 O6 -","- C168 H264 Fe4 N16 O24 -","4","1","","Nöth, Heinrich; Beck, Wolfgang; Dialer, H.; Habereder, T.","Crystal structure of (2R,2'R,5R,5'R)-1,1'-bis[1-(2-tert-butyl-1-carboxy- tert-butyl-3-methyl-4-oxo-imidazolidine-5-yl)-1-methyl]ferrocene, Fe(C~21~H~33~N~2~O~3~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","132","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100071","10.5617","0.0005","19.158","0.0009","21.5366","0.0009","90","","90","","90","","4357.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","SY-9, 20-oxo-salinomycin","","","- C42 H67 Na O11 -","- C42 H67 Na O11 -","- C168 H268 Na4 O44 -","4","1","","Paulus, E. F.; Vértesy, L.","Crystal structure of 2-(6-[2-(5-ethyl-5-hydroxy-6-methyl-tetrahydro- pyran-2-yl)-15-oxo-2,10,12-trimethyl-1,6,8-trioxa-dispiro[4.1.5.3] pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl-5-methyl- tetrahydro-pyran-2-yl)-butyrate sodium, Na(C~42~H~67~O~11~), SY-9 ‒ antibiotic 20-oxo-salinomycin","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","2","184","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100124","8.4324","0.0002","10.7639","0.0002","21.1593","0.0006","90","","90","","90","","1920.53","0.08","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O4 -","- C21 H34 O4 -","- C84 H136 O16 -","4","1","","Nascimento, M. C. B. S.; Santos, G. L.; Malta, V. R. S.; De Simone, C. A.; Pereira, M. A.; Conserva, L. M.; Anselmo, A. M.; Braz-Filho, R.","Crystal structure of ent-(16R,17R)-17-hydroxy-17-methoxykauran-19- oic acid, C~21~H~34~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100137","4.953","0.0001","9.0831","0.0002","26.4657","0.0001","90","","90","","90","","1190.65","0.04","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Acetyl-D-2-(1,4-cyclohxadienyl)glycine ethyl ester","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C48 H68 N4 O12 -","4","1","","Dialer, Harald; Nöth, Heinrich; Seifert, Thomas; Beck, Wolfgang","Crystal structure of N-acetyl-D-2-(1,4-cyclohexadienyl)glycine ethyl ester, C~12~H~17~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","309","310","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100151","6.3814","0.0006","7.3111","0.0006","15.3672","0.0014","90","","90","","90","","716.96","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Bi Cl2 K O4 S -","- Bi Cl2 K O4 S -","- Bi4 Cl8 K4 O16 S4 -","4","1","","Khelifi, Mabrouk; Loukil, Mohamed; Kabadou, Ahlem; Zouari, Ridha; Ben Salah, Abd Elhamid; Fuess, Hartmut","Crystal structure of potassium bismuth dichloride sulfate, KBiCl~2~SO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","3","203","204","10.1524/ncrs.2004.219.14.223","","","","","","","","","","","","","","","","","","","","","has coordinates","256935","2020-10-21","18:00:00",""
"8100163","5.9386","0.0002","8.8513","0.0003","21.5491","0.0009","90","","90","","90","","1132.71","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Altinbas, Ozgul; Dondas, H. Ali; Arslan, Hakan; Kulcu, Nevzat; Killner, Colin","Crystal structure of E-benzaldehyde O-benzoyloxime, C~14~H~11~NO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","379","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100179","7.0751","0.0006","11.3427","0.0008","26.268","0.002","90","","90","","90","","2108","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O10 -","- C18 H26 N2 O10 -","- C72 H104 N8 O40 -","4","1","","Chen, Fan; Hu, Mao-Lin; Wang, Shun; Wu, Hua-Yue","Crystal structure of (1S,6S)-8-benzyl-7,9-dioxo-8-aza-2-azoniabicyclo [4,3,0]-nonane (2S,3S)-(-)-hydrogen tartrate dihydrate, (C~4~H~5~N~2~O~10~) (C~14~H~17~O~2~) · 2H~2~O, a chiral inclusion","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","417","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100181","8.213","0.003","17.274","0.006","18.96","0.006","90","","90","","90","","2689.7","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 La O12 -","- C27 H27 La O12 -","- C108 H108 La4 O48 -","4","1","","Li, Xia; Zou, Ying-Quan","Crystal structure of catena-poly[μ-tris(2,3-dimethoxybenzoato) lanthanum(III)], La(C~9~H~9~O~4~)~3~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","421","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100183","17.1538","0.0003","17.2598","0.0003","17.3568","0.0002","90","","90","","90","","5138.85","0.14","150","1","150","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H48 Zr -","- C28 H48 Zr -","- C224 H384 Zr8 -","8","2","","Ernst, Richard D.; Harvey, Benjamin G.; Arif, Atta M.","Crystal structure of di(n-butyl)bis(η^5^-pentamethylcyclopentadienyl) zirconium, Zr(C~4~H~9~)~2~(C~10~H~15~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","398","400","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100201","7.097","0.004","9.49","0.006","28.687","0.006","90","","90","","90","","1932.1","1.7","289","2","289","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N2 O11 -","- C15 H28 N2 O11 -","- C60 H112 N8 O44 -","4","1","","Van Meervelt, Luc","Crystal structure of 2'-O-(4-methoxy-tetrahydropyran-4-yl)-uridine trihydrate, C~15~H~22~N~2~O~8~ · 3H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","437","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100206","8.435","0.004","10.743","0.003","39.659","0.008","90","","90","","90","","3594","2","289","2","289","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H38 N4 Ni O5 -","- C42 H38 N4 Ni O5 -","- C168 H152 N16 Ni4 O20 -","4","1","","Uytterhoeven, Koen; Soloshonok, Vadim; Van Meervelt, Luc","Crystal structure of {(S)-N-[2-(N-benzylprolyl)aminobenzophenone]- [(2S,3R)-3-N-[(4-methoxycarbonyl)phenylamine]-3-phenylpropanoic acid- O,N,N',N""]}nickel(II), Ni(C~42~H~38~N~4~O~5~)","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","453","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100211","8.529","0.002","10.799","0.001","19.661","0.003","90","","90","","90","","1810.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 O Sn -","- C21 H22 O Sn -","- C84 H88 O4 Sn4 -","4","1","","Reuter, Hans","Crystal structure of tribenzyltin(IV) hydroxide, (C~7~H~7~)~3~SnOH","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","487","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100234","5.4163","0.0004","9.2982","0.0008","10.2061","0.0009","90","","90","","90","","514","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Nd2 O6 Te -","- Nd2 O6 Te -","- Nd8 O24 Te4 -","4","1","","Meier, Steffen F.; Schleid, Thomas","Crystal structure of dineodymium(III) hexaoxotellurate(VI), Nd~2~TeO~6~","Zeitschrift für Kristallographie - New Crystal Structures","2004","219","4","359","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100268","19.276","0.005","19.439","0.005","13.352","0.005","90","0.05","90","0.05","90","0.05","5003","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","butyloxycarbonyl-tryptophan(N^indole^-formyl)-dehydro-phenylalanyl-isoleucyl- dehydro-phenylalanyl-Leucine-methyl ester","","","- C48 H59 N6 O10 -","- C48 H53 N6 O10 -","- C192 H212 N24 O40 -","4","1","","Vijayaraghavan, R.; Makker, J.; Kumar, P.; Dey, S.; Singh, T. P.","Crystal structure of Boc-Trp(CHO)-ΔPhe-Ile-ΔPhe-Leu-OCH~3~, C~48~H~59~N~6~O~10~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","52","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100275","6.396","0.0003","15.3916","0.0004","17.1953","0.0008","90","","90","","90","","1692.79","0.12","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O8 -","- C19 H18 O8 -","- C76 H72 O32 -","4","1","","Roengsumran, S.; Khorphueng, P.; Chaichit, N.; Jaiboon-Muangsin, N.; Petsom, A.","Crystal structure of 6-deoxyclitoriacetal, C~19~H~18~O~8~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","105","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100281","21.146","0.003","11.1981","0.0017","18.2","0.004","90","","90","","90","","4309.6","1.3","220","2","220","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H42 Cl Ir O8 P2 -","- C48 H39 Cl Ir O8 P2 -","- C192 H156 Cl4 Ir4 O32 P8 -","4","1","","Konkol, Marcin; Wagner, Christoph; Bruhn, Clemens; Steinborn, Dirk","Crystal structure of chloro[1,2,3,4-(tetramethoxycarbonyl)buta-1,3- dien-1,4-diyl]-bis(triphenylphosphine)iridium(III), [Ir{C~4~(COOCH~3~) ~4~}Cl{P(C~6~H~5~)~3~}~2~]","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","1","115","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100328","10.121","0.002","17.115","0.002","22.835","0.002","90","","90","","90","","3955.5","1","218","2","218","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 Br2 N2 Ni -","- C41 H48 Br2 N2 Ni -","- C164 H192 Br8 N8 Ni4 -","4","1","","Amort, Christoph; Bildstein, Benno; Wurst, Klaus","Crystal structure of [1R,7,7-trimethylbicyclo[2.2.1]heptan-2,3-bis (2,6-diisopropylphen-1-yl)imine]nickeldibromide]—toluene (1:1), C~34~H~48~Br~2~N~2~Ni~ ~· C~7~H~8~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","187","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100337","4.828","0.002","10.497","0.003","14.83","0.004","90","","90","","90","","751.6","0.4","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H8 Cl2 N2 -","- C4 H8 Cl2 N2 -","- C16 H32 Cl8 N8 -","4","1","","Noll, Andrea; Müller, Ulrich","Crystal structure of 1-[[(Z)-1-chloroethylidene]-amino]-ethaneiminium chloride, [CH~3~ClNCNH~2~CH~3~]Cl","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","2","216","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100393","9.1243","0.0006","9.3896","0.0007","33.962","0.002","90","","90","","90","","2909.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5,19-Bis(acetyloxy)-13-deoxy-10-deoxy- 20-(ethylthio)-2,20-dihydro, (2α,5β,19R)-enmain","","","- C28 H38 O10 S -","- C28 H38 O10 S -","- C112 H152 O40 S4 -","4","1","","Shi, Hao; Guo, Yue-Wei; Yu, Jia-Ling; Sun, Jie","Crystal structure of 5,19-bis(acetyloxy)-13-deoxy- 10-deoxy-20-(ethylthio)- 2,20-dihydro-(2α,5β,19R)-enmein, C~28~H~38~O~10~S","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","3","328","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100437","6.285","0.002","9.044","0.004","35.52","0.02","90","0.04","90","0.03","90","0.04","2019.2","1.6","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O6 -","- C21 H24 N2 O6 -","- C84 H96 N8 O24 -","4","1","","Euler, H.; Kirfel, A.; Valder, C.; Neugebauer, M.; Meier, M.; Braun, N. A.","Crystal structure of (1R*,2S*,5S*,6S*,7R*)-6-(3,5-dinitro-benzoyloxy) methyl-2,7-dimethyl-tricyclo [5.2.2.0^1,5^]undec-8-ene, C~21~H~24~N~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","471","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100481","11.295","0.001","18.628","0.001","21.823","0.001","90","","90","","90","","4591.5","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","SY-1, 20-deoxy-salinomycin","","","- C43 H73 Na O11 -","- C42.693 H71.772 Na O10.693 -","- C170.772 H287.088 Na4 O42.772 -","4","1","","Paulus, E. F.; Vértesy, L.","Crystal structure of the antibiotic SY-1 (20-deoxy-salinomycin): sodium 2-(6-[2-(5-ethyl-5-hydroxy-6-methyl-tetrahydro-pyran-2-yl)-2,10,12- trimethyl-1,6,8-trioxa-dispiro[4.1.5.3]pentadec- 13-en-9-yl]-2-hydroxy- 1,3-dimethyl-4-oxo-heptyl-5-methyl-tetrahydro-pyran-2-yl)-butyrate — methanol solvate (1:0.69),C~42~H~69~NaO~10~ · 0.69CH~3~OH","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","575","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100487","18.092","0.0001","5.8896","0.0001","14.6011","0.0002","90","","90","","90","","1555.82","0.04","298.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl N2 -","- C17 H19 Cl N2 -","- C68 H76 Cl4 N8 -","4","1","","Hu, Xiu-Rong; Gu, Jian-Ming; Lu, Guang-Lie","Crystal structure of 1-[(4-chloro-phenyl)-phenyl-methyl]piperazine, C~17~H~19~ClN~2~","Zeitschrift für Kristallographie - New Crystal Structures","2003","218","4","497","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","277875","2022-09-15","11:59:40",""
"8100538","7.0875","0.0018","8.692","0.002","17.531","0.003","90","","90","","90","","1079.9","0.4","220","2","220","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O8 -","- C10 H10 O8 -","- C40 H40 O32 -","4","1","","Bruhn, Clemens; Arendt, Yvonne; Steinborn, Dirk","Crystal structure of 4,8-di(acetoxy)-2,6-dioxabicyclo[3.3.0]octane- 3,7-dione(O^2^,O^5^-diacetylglucaric acid-1,4:6,3-dilactone), C~10~H~10O8~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","63","64","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100542","9.812","0.002","12.026","0.002","21.347","0.004","90","","90","","90","","2518.9","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 N4 O14 Zr -","- C18 H36 N4 O14 Zr -","- C72 H144 N16 O56 Zr4 -","4","1","","Haussühl, Eiken; Giester, G.; Tillmanns, E.","Crystal structure of bis(trimethylammonium) zirconium bis(nitrilotriacetate) dihydrate, [NH(CH~3~)~3~]~2~Zr[N(CH~2~COO)~3~]~2~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","69","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100572","6.396","0.001","10.661","0.002","30.43","0.006","90","","90","","90","","2075","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,4-bis(tosyl)-1,4-diazacycloheptane-6-amine","","- C19 H25 N3 O4 S2 -","- C19 H25 N3 O4 S2 -","- C76 H100 N12 O16 S8 -","4","1","","Romba, J.; Steinhauser, S.; Hegetschweiler, K.","Crystal structure of 1,4-bis(tosyl)-1,4-diazacycloheptane-6-amine, C~19~H~25~N~3~O~4~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","1","133","134","","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210358","2020-10-21","18:00:00",""
"8100614","12.714","0.003","15.495","0.003","15.596","0.003","90","","90","","90","","3072.5","1.1","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Co2 O5 Ti -","- C31 H39 Co2 O5 Ti -","- C124 H156 Co8 O20 Ti4 -","4","1","","Spannenberg, Anke; Dallmann, Kai; Burlakov, Vladimir V.; Rosenthal, Uwe","Crystal structure of bis(η^5^-pentamethylcyclopentadienyl)(μ~3~- (oxymethylidin)-cyclo-(tricarbonylcobalt)(monocarbonylcobalt)-(μ~2~- η^2^-3-trimethylpropinyl)titan, C~31~H~39~Co~2~O~5~Ti","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","241","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100622","5.621","0.001","12.369","0.002","31.24","0.006","90","","90","","90","","2172","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 Cl N2 O3 -","- C20 H35 Cl N2 O3 -","- C80 H140 Cl4 N8 O12 -","4","1","","Karolak-Wojciechowska, Janina; Fruziński, Andrzej; Misztal, Stanisław; Mokrosz, Maria","Crystal structure of 2-[4-(cyclohexanecarboxamido)butyl]-1,2,3,4-tetrahydroisoquinoline chloride dihydrate, (C~20~H~31~N~2~O)Cl · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","261","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100634","9.6226","0.0004","12.5066","0.0006","20.314","0.0009","90","","90","","90","","2444.71","0.19","210","2","210","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N O4 Si -","- C27 H33 N O4 Si -","- C108 H132 N4 O16 Si4 -","4","1","","Kelling, Alexandra; Schilde, Uwe; Sefkow, Michael","Crystal structure of dimethyl-carbamic acid 2-(tert-butyl-diphenyl- silanyl)-3-hydroxymethyl-6-methoxy-phenyl ester, C~27~H~33~NO~4~Si","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","2","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100700","11.753","0.003","14.991","0.011","21.464","0.003","90","","90","","90","","3782","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","tert-butyloxy-carbonyl-leucyl-dehydro-phenylalanyl-dehydro- phenylalanyl-isoleucine methyl ester","","","- C36 H48 N4 O7 -","- C36 H48 N4 O7 -","- C144 H192 N16 O28 -","4","1","","Makker, J.; Dey, S.; Mukherjee, S.; Kumar, P.; Singh, T.P.","Crystal structure of Boc-Leu-ΔPhe-ΔPhe-Ile-OCH~3~, C~36~H~48~N~4~O~7~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","372","374","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100713","5.5206","0.0006","14.0083","0.0009","15.6557","0.0009","90","","90","","90","","1210.72","0.17","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","","Gültekin, Zeynep; Frey, Wolfgang; Jäger, Volker","Crystal structure of (3aS,4R,5S,6R)-4-acetoxy-5,6-isopropylidenedioxy- 3a,4,5,6-tetrahydro-3H-cyclopent[c]isoxazole, C~11~H~15~NO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","405","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100714","11.2063","0.0006","12.3253","0.0008","13.9731","0.0015","90","","90","","90","","1930","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O6 -","- C16 H26 N2 O6 -","- C64 H104 N8 O24 -","4","1","","Gültekin, Zeynep; Frey, Wolfgang; Jäger, Volker","Crystal structure of 4-O-acetyl-2,3-O-isopropylidene-D-lyxo-5-hexenose- N-(tert-butoxycarbonyl) hydrazone, C~16~H~26~N~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","3","407","408","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100742","5.3685","0.0004","12.957","0.002","17.174","0.001","90","","90","","90","","1194.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","YISI","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Gupta, Sakuntala; Henk, Schenk; Kees, Goubitz; Yeow, Yeap Guan; Sen Gupta, S.P.","Crystal structure of E-1-(phenyl)-3-(4-hydroxyphenyl)-2-propene-1- one, C~15~H~12~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","503","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100767","9.486","0.001","10.823","0.001","23.322","0.001","90","0.01","90","0.01","90","0.01","2394.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","butyloxycarbonyl-tryptophan-dehydro-phenylalanyl-methyl ester","","","- C25 H26 N3 O5 -","- C25 H26 N3 O5 -","- C100 H104 N12 O20 -","4","1","","Makker, J.; Kumar, S.; Dey,S.; Singh, T.P.","Crystal structure of Boc-Trp-ΔPhe-OH, C~25~H~26~N~3~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","565","566","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100768","6.033","0.002","17.658","0.008","13.224","0.005","90","","90","","90","","1409","","294","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23 N3 O2 -","- C12 H23 N3 O2 -","- C48 H92 N12 O8 -","4","1","","Klepp, O. Kurt; Schmidt, Harald","Crystal structure of 1,3,5-tri-2-propyl-2,4-dioxohexahydro-1,3,5-triazine, C~12~H~23~N~3~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","567","568","","","","","","","","","","","0.048","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100770","4.7785","0.0016","10.51","0.004","15.876","0.005","90","","90","","90","","797.3","0.5","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 Br O2 -","- C9 H5 Br O2 -","- C36 H20 Br4 O8 -","4","1","","Huang, Victor; Staples, Richard J.","Crystal structure of 3-bromochromone, C~9~H~5~BrO~2~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","554","554","10.1524/ncrs.2002.217.jg.554","","","","","","","","","","","","","","","","","","","","","has coordinates","264418","2021-04-22","14:27:15",""
"8100773","11.8187","0.0005","16.1775","0.0006","29.9927","0.0014","90","","90","","90","","5734.5","0.4","173","1","173","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Cl N Ru S -","- C21 H20 Cl N Ru S -","- C252 H240 Cl12 N12 Ru12 S12 -","12","3","","Brunner, H.; Zwack, Th; Zabel, M.","Crystal structure of η^6^-benzene(chloro)(N-[(S)-(‒)1-phenylethyl]- thiobenzamidato)ruthenium(II), (C~6~H~6~)Ru(C~15~H~14~NS)Cl","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","551","553","","","","","","","","","","","","","","","","","","","","","","has coordinates","203913","2020-10-21","18:00:00",""
"8100795","7.8782","0.0001","14.2772","0.0002","15.7818","0.0002","90","","90","","90","","1775.12","0.04","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Punnapayak, H.; Pechwang, J.; Chaichit, N.; Jaiboon, N.; Pornpakakul, S.; Petsom, A.","Crystal structure of ent-(7β,11α)-dihydroxy-1-oxo-kaur-16-en-19-oic acid, C~20~H~28~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","603","604","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100816","6.681","0.002","6.425","0.002","11.602","0.003","90","","90","","90","","498","0.3","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- As K -","- As K -","- As8 K8 -","8","2","","Hönle, Wolfgang; Buresch, Jutta; Peters, Karl; Chang, Jen-Hui; von Schnering, Hans Georg","Crystal structure of the catena-pentelides KAs and Na(As~0.5~Sb~0.5~)","Zeitschrift für Kristallographie - New Crystal Structures","2002","217","4","483","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100832","8.877","0.017","11.574","0.005","19.72","0.02","90","","90","","90","","2026","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N3 O2 -","- C23 H27 N3 O2 -","- C92 H108 N12 O8 -","4","1","","Eriksson, Lars; Wadsten, Tommy; Werner, Per-Erik","Crystal structure of (3aS-cis)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo [2,3-b]indol-5-yl 3,4-dihydro-2(1H)-isoquinolinecarboxylate, C~23~H~27~N~3~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","145","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100833","8.804","0.003","11.005","0.004","21.222","0.008","90","","90","","90","","2056.2","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Cérésiat, Marcel; Marchand-Brynaert, Jacqueline","Crystal structure of (2S,7R)-N-benzhydryl-2-(1'-hydroxyethyl)-6-phenyl- 5,6-dehydromorpholin-3-one, C~25~H~23~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","51","52","10.1524/ncrs.2001.216.14.51","","","","","","","","","","","","","","","","","","","","","has coordinates","256522","2020-10-21","18:00:00",""
"8100837","11.68","0.001","12.146","0.002","21.517","0.006","90","","90","","90","","3052","1","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H16 Cl6 N2 Te -","- C5 H16 Cl6 N2 Te -","- C20 H64 Cl24 N8 Te4 -","4","1","","Baldé, Lamine; Julien, René; Silvestre, Jean-Pierre; Jouan, Michel","Crystal structure of cadaverine (1,5-pentanediamine)hexachlorotellurate (IV), [C~5~N~2~H~16~][TeCl~6~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","59","60","","","","","","","","0.0268","","","0.027","","","","","","","","","","","has coordinates","183086","2020-10-21","18:00:00",""
"8100847","7.932","0.001","10.312","0.001","18.524","0.002","90","","90","","90","","1515.2","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","1","","Henkel, Sonja; Kleban, Martin; Jäger, Volker","Crystal structure of (3aS,4S,5R,6S,6aS)-1-benzyl-4,5,6-trihydroxy- 4,5-O-isopropylidene-3,3a,4,5,6,6a-hexahydro-1H-cyclopent[c]-isoxazole, C~16~H~21~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","89","90","","","","","","","","0.0482","","","0.1281","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100848","9.854","0.003","13.353","0.003","14.949","0.003","90","","90","","90","","1967","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O7 -","- C19 H23 N O7 -","- C76 H92 N4 O28 -","4","1","","Frey, Wolfgang; Hilgers, Petra; Kleban, Martin; Jäger, Volker","Crystal structure of (3aR,4R,5S,6S,6aR)-4,5,6-triacetoxy-1-benzyl- 3,3a,4,5,6,6a-hexahydro-1H-cyclopent[c]-isoxazole, C~19~H~23~NO~7~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","91","92","","","","","","","","0.0585","","","0.1193","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100850","5.7551","0.0007","5.7518","0.0008","34.459","0.005","90","","90","","90","","1140.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","","Frey, Wolfgang; Hilgers, Petra; Jäger, Volker","Crystal structure of (3aS,4R,5S,6R,6aS)-4,5,6-trihydroxy-1-phenyl- 3,3a,4,5,6,6a-hexahydro-1H-cycopent[c]-isoxazole, C~12~H~15~N~1~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","95","96","","","","","","","","0.0391","","","0.1041","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100859","7.511","0.002","9.557","0.001","24.411","0.005","90","","90","","90","","1752.3","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H32 O3 -","- C19 H32 O3 -","- C76 H128 O12 -","4","1","","Peters, E.-M.; Peters, K.; Michieletto, I.; Fabris, F.; De Lucchi, O.","Crystal structure of (2R,3S)-2exo-[1R-(2S-isopropyl-5R-methylcyclohexyloxy)]- 2endo,3exo-dihydroxymethyl-bicyclo[2.2.1]hept-5-ene, (CH~2 ~OH)~ 2~C~7~H~7~OC~6~H~9~(CH~3~)(C~3~H~7~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","117","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100872","14.857","0.003","16.266","0.003","17.769","0.003","90","","90","","90","","4294.1","1.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H54 Mo7 N4 Na2 O31 -","- C16 H54 Mo7 N4 Na2 O31 -","- C64 H216 Mo28 N16 Na8 O124 -","4","1","","Klinga, Martti; Turpeinen, Urho; Hämäläinen, Reijo","Crystal structure of catena-poly[(dimethyl(2-hydroxyethyl)ammonium)- {sodium-μ-[aquatris(dimethyl(2-hydroxyethyl)ammonium)-sodiumheptamolybdato (VI)-O',O'',O''':O'''',O''''',O'''''']}diwater], {(C~4~H~12~NO)[(C~4~H~12~NO) ~3~(H~2~O)Na~2~Mo~7~O~24~] · 2H~2~O}~n~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","1","132","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100926","7.907","0.004","12.824","0.004","19.001","0.005","90","","90","","90","","1927","1","298","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 Cl7 N3 Te -","- C7 H21 Cl7 N3 Te -","- C28 H84 Cl28 N12 Te4 -","4","1","","Baldé, Lamine; Julien, Rene; Morgant, Georges","Crystal structure of 5-azoniaoctane-1,8-diammonium hexachloro tellurate (IV)‒hydrogen chloride (1/1), (TeCl~6~)(C~7~N~3~H~21~) · HCl","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","229","230","","","","","","","","0.0443","","","0.0513","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8100927","9.339","0.002","11.751","0.007","23.888","0.007","90","","90","","90","","2621.4","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H40 Cl Ir N2 O3 -","- C23 H40 Cl Ir N2 O3 -","- C92 H160 Cl4 Ir4 N8 O12 -","4","1","","Polborn, Kurt; Hoffmüller, Wilfried; Beck, Wolfgang","Crystal structure of chloro-pentamethylcyclopentadienyl-S-leucyl-S- leucyl methylester-iridium(III), C~23~H~40~ClIrN~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","231","232","","","","","","","","0.0281","","","0.075","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8100929","7.702","0.001","9.844","0.001","12.706","0.002","90","","90","","90","","963.3","0.2","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","10,11-didehydro-quincoridine","","","- C10 H15 N O -","- C10 H15 N O -","- C40 H60 N4 O4 -","4","1","","Wartchow, R.; Frackenpohl, J.; Hoffmann, H. M. R.","Crystal structure of (1S,2R,4S,5S)-5-ethynyl-2-hydroxymethyl-1-azabicyclo [2.2.2]octane, (HC~2~)(HOCH~2~)(C~7~H~11~N)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","235","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100959","8.115","0.001","8.706","0.001","19.989","0.002","90","","90","","90","","1412.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Peters, Eva-Maria; Peters, Karl; Seyberlich, Birgit; Tochtermann, Werner","Crystal structure of (3R,5R)-(+)-3-methyl-1-oxa-spiro[4.10]pentadec- 9-en-2,6-dione, (OCOCHCH~3~CH~2~)(C)(COC~9~H~16~)","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","2","225","226","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8100990","7.946","0.0016","12.255","0.003","15.389","0.003","90","","90","","90","","1498.6","0.5","173","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N3 O Si -","- C14 H21 N3 O Si -","- C56 H84 N12 O4 Si4 -","4","1","","Ducray, Richard; Grosvalet, Laurent; Ciufolini, Marco A.; Perrin, Monique","Crystal structure of (3aS,4S,5R)-4-trimethylsilyl-3a,4,5,6-tetrahydro- 3H-1,2,10b-triaza-benzo[e]azulen-5-ol, C~14~H~21~N~3~OSi","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","347","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101005","7.2843","0.0003","10.8584","0.0008","24.407","0.002","90","","90","","90","","1930.5","0.2","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N4 O6 -","- C20 H20 N4 O6 -","- C80 H80 N16 O24 -","4","1","","Muthuraman, M.; Nicoud, J.-F.; Masse, R.; Desiraju, Gautam R.","Crystal structure of N,N'-di-5-nitrosalicylidene-(R,R)-1,2-cyclohexanediamine, C~20~H~20~N~4~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","381","382","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101008","6.811","0.005","10.095","0.005","19.343","0.005","90","0.005","90","0.005","90","0.005","1330","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H15 Al3 F12 N2 O -","- C4 H15 Al3 F12 N2 O -","- C16 H60 Al12 F48 N8 O4 -","4","1","","Dadachov, Mike S.; Tang, Liqiu; Zou, Xiaodong","Crystal structure of piperazine oxonium dodecafluorotrialuminate, (C~4~H~12~N~2~)(H~3~O)[Al~3~F~12~]","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","385","386","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101050","8.769","0.005","9.5","0.003","18.916","0.008","90","","90","","90","","1575.8","1.2","294","2","294","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N5 -","- C18 H17 N5 -","- C72 H68 N20 -","4","1","","Borassi, A.; Di Braccio, M.; Grossi, G. C.; Izzo, G.; Mugnoli, A.","Crystal structure of N,N-dimethyl-1-phenyl-4H-[1,2,4]triazolo[4,3-a][1,5]- benzodiazepin-5-amine, C~18H~17N~5~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","3","474","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101073","22.576","0.005","5.5979","0.0008","26.12","0.006","90","","90","","90","","3300.9","1.1","220","2","220","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O19 -","- C28 H38 O19 -","- C112 H152 O76 -","4","1","","Bruhn, Clemens; Arendt, Yvonne; Steinborn, Dirk","Crystal structure of O^1^,O^2^,O^3^,O^6^-tetraacetyl-O4-[tetra-O-acetyl- β-D-glucopyranosyl]-α-D-glucopyranose(octa-O-acetyl-α- D-cellobiose), C~28~H~38~O~19~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","587","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101087","18.675","0.009","23.928","0.008","11.356","0.008","90","","90","","90","","5074","4","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H45 Cl6 N O7 -","- C57 H45 Cl6 N O7 -","- C228 H180 Cl24 N4 O28 -","4","1","","Wang, S.; Warrener, R. N.; Russell, R. A.; Tiekink, E. R. T.","Crystal structure of (1α,2β,3α,4β,5α, 12α,13β,14α,15β,16α,17β,18α, 25α,26β)-N-(2-methoxyethyl)-5,12,18,25-tetraphenyl-27, 28,29,30-tetraoxadeca-cyclo-[14.10.1.1^3,14^.1^5,12^.1^18,25^.0^2, 15^.0^4,13^.0^6,11^.0^17,26^.0^19,24^]triaconta-6,8,10,19,21,23-exaen- 2,15-carboximide—chloroform (1/2), C~55~H~43~NO~7 ~· 2CHCl~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","535","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101088","6.608","0.002","23.111","0.01","4.687","0.004","90","","90","","90","","715.9","0.6","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 Br N O -","- C7 H6 Br N O -","- C28 H24 Br4 N4 O4 -","4","1","","Ward, A. D.; Ward, V. R.; Tiekink, E. R. T.","Crystal structure of anti-4-bromobenzaldehyde oxime, C~7~H~6~BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","561","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101093","17.17","0.01","19.346","0.004","14.525","0.004","90","","90","","90","","4824","3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H23 Cl O6 -","- C30 H23 Cl O6 -","- C240 H184 Cl8 O48 -","8","2","","Kerr, P. J.; Pyke, S. M.; Ward, A. D.; Tiekink, E. R. T.","Crystal structure of (Z)-3-(1,3-benzodioxol-5-yl)-3-chloro-1-[2,4- di(benzyloxy)-6-hydroxyphenyl]-2-propen-1-one, C~30~H~23~ClO~6~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","558","560","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101094","5.679","0.002","10.333","0.006","31.485","0.013","90","","90","","90","","1847.6","1.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Henkel, Sonja; Shaw, Duncan; Lieberknecht, Albrecht; Jäger, Volker","Crystal structure of methyl 2,3-di-O-benzyl-4,6-cyclo-4,6-dideoxy- β-D-galactopyranoside, C~21~H~24~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","609","610","","","","","","","","0.0366","","","0.0901","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101095","7.6015","0.0003","9.4921","0.0002","20.0478","0.0008","90","","90","","90","","1446.53","0.09","291","1","291","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Canisius, Johannes; Schürmann, Markus; Preut, Hans; Krause, Norbert","Crystal structure of ethyl (Z)-2-(acetylamino)-6,6-dimethyl-2-hepten- 4-ynoate, C~13~H~19~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","599","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101096","6.9748","0.0009","12.655","0.002","17.837","0.003","90","","90","","90","","1574.4","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 I N2 O3 -","- C14 H17 I N2 O3 -","- C56 H68 I4 N8 O12 -","4","1","","Henkel, Sonja; Shaw, Duncan; Jäger, Volker","Crystal structure of (3R,4R,5R)-5-iodomethyl-3,4-O-isopropylidenedioxy- 1-phenylamino-pyrrolidine-2-one, C~14~H~17~IN~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","611","612","","","","","","","","0.0677","","","0.1137","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101099","6.958","0.002","17.885","0.002","18.008","0.002","90","","90","","90","","2241","0.7","","","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 O3 -","- C28 H24 O6 -","- C112 H96 O24 -","4","1","","Do Valle, N.T.; De Simone, Carlos A.; Pereira, Mariano A.; Pinto, A.V.; Malta, Valéria R.S.","Crystal structure of 2,2-dimethyl-naphto[1,2b]1,2-dihydrofuran-4,5- dione, C~14~H~12~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","603","604","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101104","15.675","0.003","19.863","0.004","6.1999","0.0027","90","","90","","90","","1930.4","0.8","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Gream, G. E.; Kirkbride, P. K.; Tiekink, E. R. T.","Crystal structure of 2RS-p-methoxyphenyl-8SR-5-phenyl-3,5,7-triazatricyclo [6.5.1.0^3,7^]tetradeca-9,11,13-triene-4,6-dione, C~24~H~21~N~3~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","571","572","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101109","14.742","0.002","21.389","0.003","22.688","0.003","90","","90","","90","","7153.9","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 I2 N4 O8 -","- C26 H42 I2 N4 O8 -","- C208 H336 I16 N32 O64 -","8","2","","Henkel, Sonja; Shaw, Duncan; Dong, Han-Qing; Jäger, Volker","Crystal structure of (1S,2R,3R,5aR,6S,7R,8R,10aR)-5,10-di-(tert-butoxycarbonyl)- 3,8-di-(iodomethyl)-1,2:6,7-di-isopropylidenedioxy-perhydro-dipyrrolo [1,2-b:1,2-e]-1,2,4,5-tetrazine, C~26~H~42~I~2~N~4~O~8~","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","613","615","","","","","","","","0.0672","","","0.1058","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101114","9.828","0.005","13.723","0.005","17.716","0.011","90","","90","","90","","2389.4","2.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 O3 Si -","- C25 H30 O3 Si -","- C100 H120 O12 Si4 -","4","1","","Tinant, Bernard; Depré, Dominique; Ghosez, Léon","Crystal structure of (1S,5R,6R,7R)-7-(tert-butyldiphenylsilyloxy)- 6-vinyl-2-oxabicyclo[3.3.0]octan-3-one, C~25~H~30~O~3~Si","Zeitschrift für Kristallographie - New Crystal Structures","2001","216","4","639","640","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101159","7.428","0.002","10.898","0.002","16.906","0.003","90","","90","","90","","1368.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O5 -","- C14 H20 O5 -","- C56 H80 O20 -","4","1","","Lamarque, Laurent; Méou, Alain; Brun, Pierre; Pèpe, Gérard","Crystal structure of (1S,3S,5R,7R,8R)-1,4,4-trimethyl-8-carbomethoxy- 8-hydroxy-10-oxatricyclo[5.3.0.0^3,5^]decan-9-one, C~14~H~20~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","59","60","","","","","","","","0.0443","","","0.0986","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101160","8.57","0.001","9.459","0.001","12.232","0.002","90","","90","","90","","991.6","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Pèpe, Gérard; Lamarque, Laurent; Méou, Alain; Brun, Pierre","Crystal structure of (1β,6β,7α)-7-carbomethoxy-9- oxabicyclo[4.3.0]non-2-en-8-one, C~10~H~12~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","61","62","","","","","","","","0.0317","","","0.0652","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101161","15.4958","0.0009","17.9197","0.001","22.2069","0.0008","90","","90","","90","","6166","3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C70 H90 N2 O6 -","- C70 H90 N2 O6 -","- C280 H360 N8 O24 -","4","1","","Thuéry, Pierre; Nierlich, Martine; Abidi, Rym; Baklouti, Lassaad; Asfari, Zouhair; Vicens, Jacques","Crystal structure of 5,11,17,23-tetra(tert-butyl)-25,27-di(phenylmethoxy)- 26,28-di(diethylacetamido)calix[4]arene, C~70~H~90~N~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","65","68","","","","","","","","0.062","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101162","6.0534","0.001","11.703","0.004","22.88","0.009","90","0.05","90","0.05","90","0.05","1620.8","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Br N O4 -","- C16 H20 Br N O4 -","- C64 H80 Br4 N4 O16 -","4","1","","Pulz, R.; Schade, W.; Reißig, H.-U.; Rademacher, O.","Crystal structure of (3R,5R,4'S)-2-benzyl-5-bromo-3-(2',2'-dimethyl- 1',3'-dioxolan-4'-yl)-3,4,5,6-tetrahydro-2H-1,2-oxazin-4-one, C~16~H~20~BrNO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","73","74","","","","","","","","0.0382","","","0.0944","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101182","8.4415","0.0014","12.961","0.002","23.313","0.005","90","","90","","90","","2550.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H33 N O11 S2 -","- C18 H33 N O11 S2 -","- C72 H132 N4 O44 S8 -","4","1","","Frey, Wolfgang; Zimmermann, Peter Jan; Jäger, Volker","Crystal structure of (2S,3R,4R,5R,1'R,2'S)-3,4-dimethanesulfonyloxy- 2-[2,3-O-isopropylidenedioxy-1-(tert-butoxycarbonylamino)propyl]-5- methyl-tetrahydrofuran, C~18~H~33~NO~11~S~2~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","125","126","","","","","","","","0.0645","","","0.1073","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101191","6.232","0.001","8.444","0.001","26.141","0.004","90","","90","","90","","1375.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N O5 -","- C14 H15 N O5 -","- C56 H60 N4 O20 -","4","1","","Henkel, Sonja; Fengler-Veith, Marion; Jäger, Volker","Crystal structure of (+)-(3aS,6aS,1'R)-6-oxo-3-(1'-O-benzyl-1',2'- dihydroxyethyl)-3a,4,6a-tetrahydrofuro[3,4-d]isoxazole, C~14~H~15~NO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","131","132","","","","","","","","0.0598","","","0.1349","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101193","11.7604","0.0008","12.9764","0.0006","14.4341","0.001","90","","90","","90","","2202.8","0.2","","","293","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Cedrelone","","","- C26 H29 O5 -","- C26 H29 O5 -","- C104 H116 O20 -","4","1","","Zeumer, Britta; Zukerman-Schpector, J.; Caracelli, I.; Castro-Gamboa, Ian; Da Silva, M. F.; Fernandes, J. B.; Vieira, P. C.","Crystal structure of 6-(3-furyl)-17-hydroxy-1,7,11,15,15-pentamethyl- 3-oxapentacyclo[8.8.0.0^2,4^.0^2,7^.0^11,16^]octadeca-12,16(17)diene- 14,18-dione, cedrelone, C~26~H~30~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","143","144","10.1515/ncrs-2000-0172","","","","","","","0.0415","","","0.1124","","","","","","","","","","","has coordinates","209513","2020-10-21","18:00:00",""
"8101196","7.1256","0.001","14.871","0.002","16.954","0.002","90","","90","","90","","1796.6","0.4","","","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Zukerman-Schpector, J.; Camillo, Robinson L.; Lemos, Francisco C. D.; Truiti, M. C. T.; Sarragiotto, Maria Helena","Crystal structure of 11-hydroxy-5-(5-hydroxy-4-methylpent-3-enyl)- 4,5,13-trimethyl-3,8-dioxatricyclo[7.4.0.0^2,6^]trideca-1(13),2(6), 9(10),11-tetraen-7-one, C~20~H~24~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","145","146","10.1515/ncrs-2000-0173","","","","","","","0.0473","","","0.1126","","","","","","","","","","","has coordinates","209540","2020-10-21","18:00:00",""
"8101206","9.456","0.006","11.218","0.003","8.658","0.006","90","","90","","90","","918.4","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5-phenylhydantoic acid","","","- C9 H10 N2 O3 -","- C9 H10 N2 O3 -","- C36 H40 N8 O12 -","4","1","","Isea, Raúl; Capparelli, Mario V.; Gómez, Dora; Gil, Herminia","Crystal structure of 5-phenylhydantoic acid, C~6~H~5~NHCONHCH~2~COOH","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","1","167","168","","","","","","","","0.0348","","","0.0915","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101256","5.8623","0.0004","8.5835","0.0004","35.864","0.002","90","","90","","90","","1804.6","0.2","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O3 -","- C22 H24 O3 -","- C88 H96 O12 -","4","1","","Avery, T. D.; Fallon, G. D.; Taylor, D. K.; Tiekink, E. R. T.","Crystal structure of <i>tert</i>-butyl 2-(2-benzoyl-3-phenylcyclopropyl) acetate, C~22~H~24~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","2","257","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101274","5.275","0.001","8.022","0.002","15.865","0.003","90","","90","","90","","671.3","0.2","299","2","299","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Lithium L-pyroglutamate monohydrate","","","- C5 H8 Li N O4 -","- C5 H8 Li N O4 -","- C20 H32 Li4 N4 O16 -","4","1","","Schreuer, Jürgen","Crystal structure of lithium (S)-2-pyrrolidone-5-carboxylate monohydrate, LiC~5~H~6~NO~3~ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","371","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101283","7.002","0.001","7.432","0.001","16.762","0.002","90","","90","","90","","872.3","0.2","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Br N O -","- C8 H12 Br N O -","- C32 H48 Br4 N4 O4 -","4","1","","Wartchow, R.; Frackenpohl, J.; Hoffmann, H. M. R.","Crystal structure of (1S,2R,4S)-2-bromomethyl-1-azabicyclo[2.2.2]- octan-5-one, C~8~H~12~BrNO","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","435","436","","","","","","","","0.0305","","","0.0473","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101290","7.096","0.001","11.671","0.001","19.277","0.002","90","","90","","90","","1596.5","0.3","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O3 -","- C17 H20 N2 O3 -","- C68 H80 N8 O12 -","4","1","","Frackenpohl, J.; Röper, S.; Hoffmann, H. M. R.; Wartchow, R.","Crystal structure of (1S,2R,5R,6R)-2-methoxy-6-(16-nitrophenylethynyl)- 1-azabicyclo[3.2.2]nonane, C~17~H~20~N~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","3","437","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101326","5.822","0.001","6.375","0.002","29.932","0.007","90","","90","","90","","1110.9","0.5","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 O4 -","- C10 H20 O4 -","- C40 H80 O16 -","4","1","","Wattenbach, Carsten; Sippel, Heike; Müller, Ulrich; Frauenrath, Herbert","Crystal structure of (2S*,4R*,5R*)-2-tert-butyl-5-hydroxy-4-methoxy- 5-methyl-1,3-dioxane, C~10~H~20~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","503","504","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101327","9.804","0.002","9.898","0.002","12.358","0.002","90","","90","","90","","1199.2","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 O4 -","- C10 H20 O4 -","- C40 H80 O16 -","4","1","","Wattenbach, Carsten; Sippel, Heike; Müller, Ulrich; Frauenrath, Herbert","Crystal structure of (2R*,4R*,5R*)-2-tert-butyl-5-hydroxy-4-methoxy- 5-methyl-1,3-dioxane, C~10~H~20~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","505","506","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101333","6.1338","0.0019","13.6642","0.0015","16.565","0.031","90","","90","","90","","1388.4","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O6 -","- C13 H20 O6 -","- C52 H80 O24 -","4","1","","Kelling, Alexandra; Schilde, Uwe; Sefkow, Michael","Crystal structure of (3aR,4'R,7R,7aS)-tetrahydro-7-hydroxy-2,2,2', 2'-tetramethylspiro[1,3-benzodioxole-5(4H),4'-[1,3]dioxolan]-5'-one, C~13~H~20~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","513","514","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101336","8.081","0.001","9.689","0.001","19.338","0.002","90","","90","","90","","1514.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Mn N2 O7 S -","- C12 H14 Mn N2 O7 S -","- C48 H56 Mn4 N8 O28 S4 -","4","1","","Zheng, Yue-Qing; Lin, Jian-Li; Kong, Zu-Ping","Crystal structure of triaqua-(1,10-phenanthroline-N,N')sulfatomanganese (II), Mn(C~12~H~8~N~2~)(H~2~O)~3~SO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","531","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101383","4.698","0.001","12.653","0.001","14.808","0.002","90","","90","","90","","880.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cis-2-Azido-indan-1-ol","","","- C9 H9 N3 O -","- C9 H9 N3 O -","- C36 H36 N12 O4 -","4","1","","Steinwascher, Jörg; Lex, Johann; Griesbeck, Axel G.","Crystal structures of cis- and trans-2-azido-indan-1-ol, C~9~H~9~N~3~O","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","627","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101404","5.895","0.003","7.505","0.005","18.909","0.007","90","","90","","90","","836.6","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Cl N O4 -","- C6 H8 Cl N O4 -","- C24 H32 Cl4 N4 O16 -","4","1","","Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Martin-Gil, J.","Crystal structure of anilinium perchlorate, C~6~H~5~NH~3~^+^ClO~4~^‒^","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","85","86","","","","","","","","0.0389","","","0.0916","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101431","5.9528","0.0008","10.224","0.003","10.975","0.003","90","","90","","90","","667.7","0.3","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,5-dichloro-1,2,3-dithiazolium","","- C2 Cl3 N S2 -","- C2 Cl3 N S2 -","- C8 Cl12 N4 S8 -","4","1","","Rabe, Susanne; Müller, Ulrich","Crystal structure of 4,5-dichloro-1,2,3-dithiazolium chloride, [C~2~NS~2~Cl~2~]Cl","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","68","68","10.1515/ncrs-1999-0137","","","","","","","0.0244","","","0.0601","","","","","","","","","","","has coordinates","210238","2020-10-21","18:00:00",""
"8101434","4.835","0.001","6.984","0.001","8.449","0.001","90","","90","","90","","285.28","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dysprosium hydroxide carbonate","","","- C H Dy O4 -","- C Dy O4 -","- C4 Dy4 O16 -","4","1","","Doert, Thomas; Rademacher, Otto","Crystal structure of dysprosium hydroxide carbonate, DyOHCO~3~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","11","12","","","","","","","","0.0375","","","0.0951","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101450","8.565","0.003","8.92","0.003","18.612","0.003","90","","90","","90","","1422","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N O -","- C15 H23 N O -","- C60 H92 N4 O4 -","4","1","","Frenzen, Gerlinde; Tomm, Sabine; Frauenrath, Herbert","Crystal structure of anti-3-(N,N-diethylamino)-2-ethyl-3-phenylpropanale, C~15~H~23~NO","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","1","127","128","","","","","","","","0.0812","","","0.1526","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101481","10.308","0.003","14.317","0.004","17.623","0.004","90","0.02","90","0.02","90","0.02","2600.7","1.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","5,7,14,16-Tetraamino-1,2,3,10,11,12-hexathia[3,3]metacyclophan * 2 DMF","","","- C18 H26 N6 O2 S6 -","- C18 H26 N6 O2 S6 -","- C72 H104 N24 O8 S24 -","4","1","","Getzschmann, Jürgen; Rademacher, Otto; Doert, Thomas; Böttcher, Peter","Crystal structure of 6,8,14,16-tetraamino-2,3,4,10,11,12-hexathiatricyclo [11.3.1.15,9]octadeca-5,7,9(18),13(17),14,16-hexaen‒dimethylformamide (1/2), [C6H2(NH2)2(S3)]2 · 2DMF","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","2","255","256","","","","","","","","0.0432","","","0.1179","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101519","9.266","0.003","14.659","0.005","30.703","0.017","90","","90","","90","","4171","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C160 H208 N32 O32 -","8","2","","Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.; Martin-Gil, J.","Crystal structure of L-argininium diphenylacetate, C~6~H~15~N~4~O~2~ ^+^C~14~H~11~O~2~^‒^","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","326","328","","","","","","","","0.0669","","","0.179","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101520","5.0321","0.0003","14.8258","0.0009","17.427","0.001","90","","90","","90","","1300.1","0.1","296.7","","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O6 S -","- C11 H13 N O6 S -","- C44 H52 N4 O24 S4 -","4","1","","Shan, Yongkui; Huang, Songping D.","Crystal structure of R-(-)-N-benzenesulphonylglutamic acid, C~11~H~13~NO~6~S","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","379","380","","","","","","","","0.0274","","","0.0411","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101526","5.848","0.001","12.707","0.001","18.919","0.002","90","","90","","90","","1405.9","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 Cl5 F3 N Nb -","- C8 H4 Cl5 F3 N Nb -","- C32 H16 Cl20 F12 N4 Nb4 -","4","1","","Stumpf, Klaus; Blachnik, Roger; Roth, Georg","Crystal structure of {3-(trifluormethyl)benzonitrile}pentachloro-niobium(V), NbCl~5~(m-CF~3~)C~6~H~4~CN","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","397","398","","","","","","","","0.0177","","","0.0324","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101528","8.297","0.004","9.266","0.004","25.173","0.011","90","","90","","90","","1935.3","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O7 -","- C19 H23 N O7 -","- C76 H92 N4 O28 -","4","1","","Henkel, Sonja; Kuban, Juraij; Pruschek, Petra; Jäger, Volker","Crystal structure of (3aS,4R,5S,6R,6aS)-4,5,6-triacetoxy-1-benzyl- 3,3a,4,5,6,6a-hexahydro-1H-cyclopent[c]-isoxazole, C~19~H~23~NO~7~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","401","402","","","","","","","","0.0574","","","0.1602","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101553","5.239","0.0013","6.2624","0.0016","24.755","0.005","90","","90","","90","","812.2","0.3","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cesium hydrogen sulfamate","","","- Cs H5 N2 O6 S2 -","- Cs H5 N2 O6 S2 -","- Cs4 H20 N8 O24 S8 -","4","1","","Schreuer, Jürgen","Crystal structure of cesium hydrogen sulfamate, CsH~2~NSO~3~ · H~3~NSO~3~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","3","307","308","","","","","","","","0.0227","","","0.0492","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101566","8.7185","0.0001","11.4066","0.0001","22.9699","0.0003","90","","90","","90","","2284.32","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Mo N3 O4 -","- C24 H17 Mo N3 O4 -","- C96 H68 Mo4 N12 O16 -","4","1","","Shamsudin, M.; Affan, M. A.; Hitam, R.; Yamin, B. M.; Fun, H. K.; Ibrahim, R. A.","Crystal structure of methylpyridylbenzophenoneazine tetracarbonylmolybdenum(0), C~24~H~17~MoN~3~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","499","500","","","","","","","","0.027","","","0.0506","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101581","6.625","0.001","14.297","0.004","14.377","0.003","90","","90","","90","","1361.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N4 O5 -","- C11 H16 N4 O5 -","- C44 H64 N16 O20 -","4","1","","Poje, Nevenka; Poje, Mirko; Vicković, Ivan","Crystal structure of (-)-4R,5R-(2R,3R-butylenedioxy)-3,7- dimethyltetrahydropurine-2,6,8-trione, C~11~H~16~N~4~O~5~","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","531","532","","","","","","","","0.04","","","","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101590","10.054","0.002","13.01","0.003","20.87","0.004","90","","90","","90","","2729.8","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","bis(butylamine) zirconium bis(nitrilotriacetate) dihydrate","","","- C20 H40 N4 O14 Zr -","- C20 H40 N4 O14 Zr -","- C80 H160 N16 O56 Zr4 -","4","1","","Hausühl, Eiken; Giester, Gerald; Tillmanns, Ekkehart","Crystal structure of the low temperature phase of bis(butylamine) zirconium bis(nitrilotriacetate) dihydrate, [NH~3~(CH~2~)~4~]~2~Zr [N(CH~2~COO)~3~]~2~ ·2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","571","573","","","","","","","","0.0233","","","0.0467","","","","","","","","","","","has coordinates","134198","2020-10-21","18:00:00",""
"8101592","11.221","0.001","11.261","0.001","13.165","0.002","90","","90","","90","","1663.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O3 Si -","- C17 H22 O3 Si -","- C68 H88 O12 Si4 -","4","1","","Tinant, Bernard; Declercq, Jean-Paul; Demaret, Christian; Adam, Jean-Michel; Ghosez, Leon","Crystal structure of (1R,2S,3R,5S)-2-(dimethylphenylsilyl)-6-oxobicyclo [3.2.0]hept-3-yl acetate, C~17~H~22~O~3~Si","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","577","578","","","","","","","","0.0354","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8101642","7.998","0.006","12.332","0.009","18.619","0.003","90","","90","","90","","1836.4","0.2","294","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H22 Cl17 N3 Pt -","- C7 H21 Cl7 N3 Pt -","- C28 H84 Cl28 N12 Pt4 -","4","1","","Delafontaine, Jean-Marc; Julien, René; Mazurier, Alain; Tomas, Alain; Legendre, Bernard","Crystal structure of 4-azaoctane-1,8-diammonium hexachloroplatinate (IV) hydrogenchloride solvate, [C~7~H~21~N~3~]PtCl~6~ · HCl","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","699","700","","","","","","","","0.059","","","0.045","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101647","10.175","0.002","10.106","0.002","38.82","0.006","90","","90","","90","","3991.8","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H44 B F4 O4 P -","- C45 H44 B F4 O4 P -","- C180 H176 B4 F16 O16 P4 -","4","1","","Frey, Wolfgang; Lieberknecht, Albrecht; Griesser, Helmut; Bravo, Rudolfo D.; Colinas, Pedro A.; Grigera, Raul J.","Crystal structure of (2<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2- (4,5-dibenzyloxy-6-benzyloxymethyl tetrahydropyranyl)triphenylphosphonium tetrafluoroborate, <i>α</i>-C~45~H~44~PBF~4~O~4~ and of (2<i> R</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2-(4,5-dibenzyloxy-6-benzyloxymethyl tetrahydropyranyl)triphenylphosphonium tetrafluoroborate,<i>β </i>-C~45~H~44~PBF~4~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","737","740","","","","","","","","0.059","","","0.1415","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101648","11.527","0.002","13.883","0.003","25.008","0.004","90","","90","","90","","4002","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H44 B F4 O4 P -","- C45 H44 B F4 O4 P -","- C180 H176 B4 F16 O16 P4 -","4","1","","Frey, Wolfgang; Lieberknecht, Albrecht; Griesser, Helmut; Bravo, Rudolfo D.; Colinas, Pedro A.; Grigera, Raul J.","Crystal structure of (2<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2- (4,5-dibenzyloxy-6-benzyloxymethyl tetrahydropyranyl)triphenylphosphonium tetrafluoroborate, <i>α</i>-C~45~H~44~PBF~4~O~4~ and of (2<i> R</i>,4<i>R</i>,5<i>R</i>,6<i>R</i>)-2-(4,5-dibenzyloxy-6-benzyloxymethyl tetrahydropyranyl)triphenylphosphonium tetrafluoroborate,<i>β </i>-C~45~H~44~PBF~4~O~4~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","737","740","","","","","","","","0.0546","","","0.1236","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101655","5.021","0.001","12.857","0.002","20.978","0.004","90","","90","","90","","1354.2","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O3 -","- C11 H19 N O5 -","- C44 H76 N4 O20 -","4","1","","Henkel, Sonja; Menzel, Andreas; Jäger, Volker","Crystal structure of methyl <i>N</i>,<i>O</i>-diacetyl-<i>α </i>-L-acosaminide, C~11~H~19~NO~5~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","795","796","","","","","","","","0.0534","","","0.1244","","","","","","","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101659","5.4734","0.0003","11.8407","0.0007","28.508","0.003","90","","90","","90","","1847.57","0.24","","","191","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 I N O2 -","- C19 H24 I N O2 -","- C76 H96 I4 N4 O8 -","4","1","","Zukerman-Schpector, J.; Carvalho, Cristina C.; Ferraz, Helena M.C.; Pereira, Fernando L.C.; Zinner, L.B.; Vicentini, G.","Crystal structure of 1-benzyl-2-methyl-3-carbethoxy-7<i>S</i>-iodo- 4,5,6,7-3a(<i>R</i>),7a(<i>S</i>)-hexahydroindole, C~19~H~24~INO~2~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","735","736","","","","","","","","0.0315","","","0.0803","","","","","","","","","","","has coordinates,has disorder","130149","2020-10-21","18:00:00",""
"8101660","5.2","0.0014","9.592","0.002","15.215","0.003","90","","90","","90","","758.9","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H8 Cl N3 O S -","- C3 H8 Cl N3 O S -","- C12 H32 Cl4 N12 O4 S4 -","4","1","","Pilz, Astrid; Müller, Ulrich; Díaz, Isabel; Fernández, Vicente","Crystal structure of 2-amino-5-methyl-3<i>H</i>-1,3,4-thiadiazolium chloride hydrate, [C~2~N~2~SH(CH~3~)(NH~2~)]^+^Cl^-^ · H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","773","774","","","","","","","","0.029","","","0.0714","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101661","10.735","0.001","17.56","0.003","17.685","0.001","90","","90","","90","","3333.7","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 Br2 Cl2 Ni O2 P2 -","- C32 H32 Br2 Cl2 Ni O2 P2 -","- C128 H128 Br8 Cl8 Ni4 O8 P8 -","4","1","","Frenzen, Gerlinde; Pilz, Astrid; Frauenrath, Herbert; Reim, Stefan","Crystal structure of dibromo[(-)-2,2-dimethyl-4,5-bis(diphenylphoshinomethyl)- 1,3-dioxolane-<i>P</i>,<i>P</i>'] nickel-dichloromethane (1/1), C~31~H~32~Br~2~NiO~2~P~2~ · CH~2~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","775","776","","","","","","","","0.0687","","","0.1734","","","","","","","","","","","has coordinates","201213","2020-10-21","18:00:00",""
"8101662","9.8823","0.0008","17.411","0.002","18.608","0.005","90","","90","","90","","3201.8","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 I2 Ni O2 P2 -","- C31 H32 I2 Ni O2 P2 -","- C124 H128 I8 Ni4 O8 P8 -","4","1","","Frenzen, Gerlinde; Rabe, Susanne; Frauenrath, Herbert; Reim, Stefan","Crystal structure of diiodo[(-)-2,2-dimethyl-4,5-bis(diphenylphoshinomethyl)- 1,3-dioxolane-<i>P</i>,<i>P</i>'] nickel, C~31~H~32~I~2~NiO~2~P~2~","Zeitschrift für Kristallographie - New Crystal Structures","1998","213","4","777","778","","","","","","","","0.0465","","","0.1137","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8101673","8.8739","0.0005","9.5664","0.0005","10.7489","0.0006","90","","90","","90","","912.49","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5S,8S)-8-hydroxymethyl-1-methyl-2,7-dioxa-1-aza-spiro[4,4]nonan-6-one","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C32 H52 N4 O16 -","4","1","","W. Frey; M. Imerhasan; Y. Bathich; V. Jäger","Crystal structure of (5S,8S)-8-hydroxymethyl-1-methyl-2,7-dioxa-1- aza-spiro[4,4]nonan-6-one, C~8~H~13~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","151","152","","","","1.54178","CuKα","","0.0503","0.0483","","","0.1302","0.1337","","","","","","1.061","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101724","9.8316","0.0002","10.0682","0.0002","22.5002","0.0005","90","","90","","90","","2227.22","0.08","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","aqua(2,2'-bipyridine-N,N')bis(2-fluorobenzoato)cadmium(II)","","- C24 H18 Cd F2 N2 O5 -","- C24 H18 Cd F2 N2 O5 -","- C96 H72 Cd4 F8 N8 O20 -","4","1","","Zhang, B.-S.; Zeng, X.-R.; Fang, X.-N.; Huang, C.-F.","Crystal structure of aqua(2,2'-bipyridine-N,N')bis(2-fluorobenzoato) cadmium(II), Cd(H~2~O)(C~10~H~8~N~2~)(C~7~H~4~FO~2~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","141","142","","","","0.71073","MoKα","","0.1008","0.0271","","","0.0656","0.0692","","","","","","1.005","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101728","10.725","0.003","14.328","0.003","23.814","0.006","90","","90","","90","","3659.4","1.6","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis-4-methyl-2,4,6-triphenyl-4H-thiopyran-1-oxide","","- C24 H20 O S -","- C24 H20 O S -","- C192 H160 O8 S8 -","8","2","","Jafarpour, F.; Pirelahi, H.","Crystal structures of cis- and trans-4-methyl-2,4,6-triphenyl-4H-thiopyran- 1-oxide, C~24~H~20~OS","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","165","168","","","","0.71073","MoKα","","0.0752","0.0542","","","0.0925","0.0983","","","","","","1.006","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101748","9.8053","0.0007","10.9184","0.0008","15.3758","0.0015","90","","90","","90","","1646.1","0.2","293","","293","","","","","","","","IVAX Pharmaceuticals, Czech Republic","4","P 21 21 21","P 2ac 2ab","19","","1-methyl-10α-methoxy-9,10-dihydrolysergol","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C72 H96 N8 O8 -","4","1","","Cejka, J.; Kratochvíl, B.; Cvak, L.; Jegorov, A.","Crystal structure of 1-methyl-10α-methoxy-9,10-dihydrolysergol, C~18~H~24~N~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","207","208","","","","1.5418","CuKα","","0.0368","0.0362","","0.0457","0.0449","0.0449","","","","","","1.0856","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101755","10.748","0.001","16.038","0.001","18.019","0.002","90","","90","","90","","3106.1","0.5","273.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","μ~3~-chloro-μ~3~-hydroxo-tri(μ-chloro)- tris[tetramethylethylenediaminenickel(II)] chloride","","- C18 H49 Cl5 N6 Ni3 O -","- C18 H49 Cl5 N6 Ni3 O -","- C72 H196 Cl20 N24 Ni12 O4 -","4","1","","K. Miyamoto; R. Koizumi; E. Horn; Y. Fukuda","Refinement of the crystal structure of μ3-chloro-μ3- hydroxo-tris(μ-chloro)-tris[tetramethylethylenediamine-nickel (II)] chloride, {[Ni(C~6~H~16~N~2~)]~3~Cl~4~OH}Cl","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","226","228","","","","0.7107","MoKα","","","0.0432","","","","0.0492","","","","","","0.136","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101757","7.924","0.002","13.2874","0.0012","16.138","0.004","90","","90","","90","","1699.2","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","triphenyl thiophosphate","","- C18 H15 O3 P S -","- C18 H15 O3 P S -","- C72 H60 O12 P4 S4 -","4","1","","J. Clade; M. Jansen","Crystal structures of triphenyl thiophosphate and selenophosphate, (C~6~H~5~)~3~PO~3~X (X = S, Se)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","2","234","236","","","","0.71073","MoKα","","0.0426","0.0269","","0.0974","0.0738","","","","1.325","1.107","1.107","","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101778","8.196","0.0001","17.83","0.0004","41.908","0.001","90","","90","","90","","6124.2","0.2","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-benzoylmorphin-6-one-17-carboxamide","","- C74 H66 N6 O16 -","- C24.6667 H22 N2 O5.33333 -","- C296 H264 N24 O64 -","12","3","","M. Chudik; A. Jegorov; H. Petrickova; B. Kratochvil; I. Cisarova","Crystal structure of 3-benzoylmorphin-6-one-17-carboxamide ethanol solvate (1:0.333), C~24~H~20~N~2~O~5~ · 0.333 C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","348","350","","","","0.71073","MoKα","","0.0901","0.0659","","0.0914","0.0731","0.0731","","","","","","1.147","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8101793","9.8679","0.001","10.8765","0.001","15.458","0.002","90","","90","","90","","1659.1","0.3","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-hydroxymethyl-10α-methoxy-9,10-dihydrolysergol","","- C18 H24 N2 O3 -","- C18 H24 N2 O3 -","- C72 H96 N8 O12 -","4","1","","J. Cejka; B. Kratochvíl; L. Cvak; A. Jegorov","Crystal structure of 1-hydroxymethyl-10α-methoxy-9,10-dihydrolysergol, C~18~H~24~N~2~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","351","352","","","","1.5418","CuKα","","0.0664","0.0654","","0.0802","0.0794","","","","","","","1.1145","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101803","7.2528","0.0008","12.3005","0.001","15.2083","0.0012","90","","90","","90","","1356.8","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","naphthalen-1-yl-(4-nitro-benzylidene)-amine","","- C17 H12 N2 O2 -","- C17 H12 N2 O2 -","- C68 H48 N8 O8 -","4","1","","Wen, P.-H.","Crystal structure of naphthalen-1-yl-(4-nitro-benzylidene)amine, C~17~H~12~N~2~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","397","398","","","","0.71073","MoKα","","0.0759","0.0457","","","0.0962","0.1074","","","","","","1.019","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101816","9.476","0.0019","16.223","0.003","18.615","0.004","90","","90","","90","","2861.7","1","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Me-Butiphane Rh (NBD)","(η^4^-norborna-2,5-dien)-(2,3-bis((S,S)-2,5-dimethyl- phospholanyl)-benzothiophene)-rhodium(I) tetrafluoroborate","","- C27 H36 B F4 P2 Rh S -","- C27 H36 B F4 P2 Rh S -","- C108 H144 B4 F16 P8 Rh4 S4 -","4","1","","H.-J. Drexler; J.-T. Sun; D. Heller; U. Berens; M. Kesselgruber","Crystal structure of (h^4^-norborna-2,5-dien){2,3-bis[(S,S)-2,5-dimethyl- phospholanyl]benzothiophene}rhodium(I) tetrafluoroborate, [Rh(C~7~H~8~) (C~20~H~28~P~2~S)][BF~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","435","436","","","","0.71073","MoKα","","0.0602","0.0446","","","0.1021","0.1083","","","","","","0.765","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101823","7.3522","0.0015","8.8559","0.0018","29.34","0.006","90","","90","","90","","1910.3","0.7","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7α-acetyl-6,14-endo-ethanotetrahydrothebaine","","- C23 H29 N O4 -","- C23 H29 N O4 -","- C92 H116 N4 O16 -","4","1","","A. Amani; G. Rezanejade Bardajee; G. Samavati; R. Mansouri","Crystal structure of 7α-acetyl-6,14-endo-ethanotetrahydrothebaine, C~23~H~29~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","453","454","","","","0.71073","MoKα","","0.0742","0.0483","","","0.0887","0.097","","","","","","1.003","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101827","16.546","0.0008","17.995","0.0011","11.817","0.0014","90","","90","","90","","3518.5","0.5","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)- pyridin-2-yl-methylene]amino-palladium(II)","","- C29 H36 Cl8 N2 Pd -","- C29 H36 Cl8 N2 Pd -","- C116 H144 Cl32 N8 Pd4 -","4","1","","H. Maisel; S. Keller; T. Irrgang; R. Kempe","Crystal structure of (2,6-diisopropyl-phenyl)-[6-(2,6-dimethyl-phenyl)- pyridin-2-yl-methylene]-aminopalladium(II) dichloromethane trisolvate, Pd(C~26~H~30~N~2~)Cl~2~ · 3CH~2~Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","465","466","","","","0.71069","MoKα","","0.0387","0.0371","","","0.0983","0.099","","","","","","1.155","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101835","5.5442","0.0006","8.3603","0.0004","27.427","0.003","90","","90","","90","","1271.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-tryptophanium phosphite","","- C11 H15 N2 O5 P -","- C11 H15 N2 O5 P -","- C44 H60 N8 O20 P4 -","4","1","","M. Ramos Silva; J. A. Paixão; A. Matos Beja","Crystal structure of L-tryptophanium phosphite, (C~11~H~13~N~2~O~2~) [H~2~PO~3~]","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","487","488","","","","0.71073","MoKα","","0.1343","0.0529","","","0.1207","0.1462","","","","","","1.013","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101847","5.8157","0.0011","13.426","0.003","17.801","0.003","90","","90","","90","","1389.9","0.5","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-poly[(p-hydroxybenzoato)silver(I)- μ-(1R,2R)-(-)-1,2-cyclohexanediamine-κ^2^N:N']","","- C13 H19 Ag N2 O3 -","- C13 H19 Ag N2 O3 -","- C52 H76 Ag4 N8 O12 -","4","1","","J.-C. Lee; H. Takahashi; Y. Matsui","Crystal structure of catena-poly[(p-hydroxybenzoato)-silver(I)-μ- (1R,2R)-(-)-1,2-cyclohexanediamine-k^2^N,N'], Ag(C~7~H~5~O~3~)(C~6~H~14~N~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","3","493","494","","","","0.71073","MoKα","","0.0339","0.0292","","0.0667","0.0656","0.0667","","","","","","0.9745","","","","has coordinates","194598","2020-10-21","18:00:00",""
"8101852","8.0754","0.0013","8.8987","0.0014","14.571","0.002","90","","90","","90","","1047.1","0.3","193","2","193","2","","","","","","","Aldirch","4","P 21 21 21","P 2ac 2ab","19","R,S-(-)-N-methylephedrine","R,S-(-)-N-methylephedrine","","- C11 H17 N O -","- C11 H17 N O -","- C44 H68 N4 O4 -","4","1","","Staples, R. J.; Cho, E.","Crystal structure of R,S-(-)-N-methylephedrine, C~11~H~17~NO","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","543","544","","","x-ray","0.71073","MoKα","","0.0409","0.0381","","","0.1011","0.1051","","","","","","1.054","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101877","5.959","0.005","8.099","0.005","33.942","0.005","90","","90","","90","","1638.1","1.7","173","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1R,5S,8R,9S-8-azidomethyl-2-benzyl-6,6-dimethyl-3,7-dioxa-2-aza- bicyclo[3.3.1]nonan-9-ol","","- C16 H22 N4 O3 -","- C16 H22 N4 O3 -","- C64 H88 N16 O12 -","4","1","","Al-Harrasi, A.; Brüdgam, I.; Hartl, H.; Reißig, H.-U.","Crystal structure of 1R,5S,8R,9S-8-azidomethyl-2-benzyl-6,6-dimethyl- 3,7-dioxa-2-aza-bicyclo[3.3.1]nonan-9-ol, C~16~H~22~N~4~O~3~","Zeitschrift für Kristallographie - New Crystal Structures","2005","220","4","599","600","","","","0.71069","MoKα","","0.0733","0.0511","","","0.1055","0.113","","","","","","1.081","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101911","10.1064","0.001","11.5006","0.0011","22.425","0.002","90","","90","","90","","2606.5","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R-1,1'-bi-2-naphthol 1,3-bis(pyrid-4-yl)propane","","- C33 H28 N2 O2 -","- C33 H28 N2 O2 -","- C132 H112 N8 O8 -","4","1","","Ma, Z.-C.","Crystal structure of (R)-1,1'-bi-2-naphthol 1,3-bis(pyrid-4-yl)propane, C~20~H~14~O~2~ · C~13~H~14~N~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","65","67","","","","0.71073","MoKα","","0.0769","0.062","","","0.1174","0.1236","","","","","","1.133","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101915","7.737","0.002","10.131","0.002","20.229","0.003","90","","90","","90","","1585.6","0.6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","dichloro((N-(N',N'-dimethylammonio)ethyl)-2,4-dichlorosalicylaldiminato- N,O)copper(II)","","- C11 H14 Cl4 Cu N2 O -","- C11 H14 Cl4 Cu N2 O -","- C44 H56 Cl16 Cu4 N8 O4 -","4","1","","Ma, J.-Y.; Wu, T.-X.; She, X.-G.; Pan, X.-F.","Crystal structure of dichloro((N-(N',N'-dimethylammonio)-ethyl)-2, 4-dichlorosalicylaldiminato-N,O)copper(II), Cu(C~11~H~14~Cl~2~N~2~O) Cl~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","53","54","","","","0.71073","MoKα","","0.0678","0.0402","","","0.0716","0.0793","","","","","","1.036","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8101925","6.054","0.002","11.479","0.005","29.21","0.003","90","","90","","90","","2029.9","1.1","125","2","125","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(diphenyl)methyl-3(S)-[1'(R)-hydroxoethyl]-4(S)-[2"",2""-dimethyl-1""- oxopropyl]-2-azetidinone","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Tinant, B.; Laurent, M.; Marchand-Brynaert, J.","Crystal structure of N-(diphenyl)methyl-3(S)-[1'(R)-hydroxoethyl]- 4(S)-[2'',2''-dimethyl-1''-oxopropyl]-2-azetidinone, C~23~H~27~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","71","72","","","","0.71069","MoKα","","0.0511","0.0472","","","0.1175","0.1209","","","","","","1.07","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101931","9.4637","0.00003","12.29468","0.00003","40.46176","0.00004","90","","90","","90","","4707.85","0.019","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","taxuspinanane A acetonitrile solvate","","- C49 H62 N2 O14 -","- C49 H62 N2 O14 -","- C196 H248 N8 O56 -","4","1","","Buchta, M.; Jegorov, A.; Hušák, M.; Cejka, J.; Kratochvíl, B.; Kuzma, M.; Sedmera, P.","Crystal structure of taxuspinanane A acetonitrile solvate, C~47~H~59~NO~14~ · CH~3~CN","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","97","100","","","","1.5418","CuKα","","0.1038","0.1019","","0.0995","0.0991","0.0991","","","","","","0.964","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101934","9.748","0.001","11.701","0.002","15.552","0.002","90","","90","","90","","1773.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dimethyl (2S,3R,3aS,4S,5R,6R)-6-iodomethyl-4,5-isopropylidenedioxy- hexahydropyrrolo[1,2-b]pyrazole-2,3-dicarboxylate","","- C14 H21 I N2 O6 -","- C14 H21 I N2 O6 -","- C56 H84 I4 N8 O24 -","4","1","","Frey, W.; Shaw, D.; Jégou, A.; Jäger, V.","Crystal structure of dimethyl (2S,3R,3aS,4S,5R,6R)-6-iodomethyl-4, 5-isopropylidenedioxy-hexahydro-pyrrolo[1,2-b]pyrazole-2,3-dicarboxylate, C~14~H~21~IN~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","1","87","88","","","","0.71073","MoKα","","0.0601","0.0495","","","0.1134","0.1204","","","","","","1.014","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8101978","11.587","0.005","8.13","0.005","15.239","0.005","90","0.005","90","0.005","90","0.005","1435.5","1.2","293","2","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 -","- C18 H20 N2 -","- C72 H80 N8 -","4","1","","De Simone, C. A.; Malta, V. R. S.; Lamenha, G. S.; Humberto, M. M. S.; Porto, K. R. A.; Sant'Ana, A. E. G.","Crystal structure of 1,2,5-trimethyl-1,2,3,4-tetrahydropyrido[4,3- b]carbazole (guatambuine), C~18~H~20~N~2~, from Aspidosperma subincanum Mart.","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","2","233","234","","","x-ray","0.71073","MoKα","","","0.0553","","","","0.1371","","","","","","1.061","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102014","10.817","0.002","11.463","0.002","13.025","0.002","90","","90","","90","","1615","0.5","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","sinoacutine","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Wang, X.-L.","Refinement of the crystal structure of sinoacutine, C~19~H~21~NO~4~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","361","362","","","","0.71073","MoKα","","0.0592","0.0381","","","0.0779","0.0831","","","","","","0.981","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102038","6.5566","0.0006","9.0679","0.0011","25.316","0.0018","90","","90","","90","","1505.2","0.3","258","2","258","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","di-n-pentyltindichloride","","- C10 H22 Cl2 Sn -","- C10 H22 Cl2 Sn -","- C40 H88 Cl8 Sn4 -","4","1","","Reuter, H.; Izaaryene, M.","Crystal structure of dichloro-bis(n-pentyl)tin(IV), Sn(C~5~H~11~)~2~Cl~2~, tin-halide compounds - part VI","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","423","424","","","","0.71073","MoKα","","0.0671","0.0624","","","0.1605","0.1671","","","","","","1.074","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102049","9.9317","0.0008","11.1822","0.0005","29.204","0.003","90","","90","","90","","3243.3","0.4","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-(3-acetyl-1-(4-bromophenyl)-5-[(R)-4-chlorophenyl]-1,2,4-triazolo-4-yl)- 2-deoxy-1,3,4,6-tetraacetyl-β-D-glucose","","- C30 H31 Br Cl N3 O10 -","- C30 H31 Br Cl N3 O10 -","- C120 H124 Br4 Cl4 N12 O40 -","4","1","","Abdel-Jalil, R. J.; Voelter, W.; Maichle-Mössmer, C.; Baqi, Y.; Machulla, H.-J.","Crystal structure of 2-(3-acetyl-1-(4-bromophenyl)-5-((R)-4-chlorophenyl)- 1,2,4-triazolo-4-yl)-2-deoxy-1,3,4,6-tetraacetyl-β-D-glucose, C~30~H~31~BrClN~3~O~10~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","463","464","","","","1.54184","CuKα","","0.0984","0.0609","","","0.1498","0.1721","","","","","","1.021","","","","has coordinates","211332","2020-10-21","18:00:00",""
"8102053","8.162","0.0011","10.9586","0.0016","29.056","0.004","90","","90","","90","","2598.9","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","stigmasta-4,25-diene-3β,6β-diol","","- C29 H48 O2 -","- C29 H48 O2 -","- C116 H192 O8 -","4","1","","He, Z.-Z.; Lei, X.-X.; Zhou, Y.; Sun, J.-Z.; Zhang, A.-J.","Crystal structure of stigmasta-4,25-diene-3b,6b-diol, C~29~H~48~O~2~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","477","478","","","","0.71073","MoKα","","0.1228","0.108","","","0.225","0.2337","","","","","","1.239","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102059","11.0771","0.0006","17.1592","0.0009","18.4825","0.001","90","","90","","90","","3513","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","aqua[N,N,N',N'-tetrakis(2-pyridylmethyl)-1,2-diaminocyclohexane]manganese(II) dibromide tetrahydrate","","- C30 H44 Br2 Mn N6 O5 -","- C30 H44 Br2 Mn N6 O5 -","- C120 H176 Br8 Mn4 N24 O20 -","4","1","","Hwang, I.-C.; Ha, K.","Crystal structure of aqua(N,N,N',N'-tetrakis(2-pyridylmethyl)-1,2- diaminocyclohexane)manganese(II) dibromide tetrahydrate, [Mn{C~6~H~10~N~2~ (C~6~H~6~N)~4~}(H~2~O)]Br~2~ · 4H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","468","470","","","","0.71073","MoKα","","0.1057","0.0653","","","0.1119","0.1246","","","","","","0.964","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102068","7.5235","0.0009","9.459","0.001","21.3518","0.0002","90","","90","","90","","1519.5","0.2","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3'-formyl-benzo-15-crown-5","","- C15 H20 O6 -","- C15 H20 O6 -","- C60 H80 O24 -","4","1","","Wang, H.-T.; Lei, X.-X.; Zhang, L.-X.; Zhang, C.-Y.","Crystal structure of 3'-formyl-benzo-15-crown-5, C~15~H~20~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","505","506","","","","0.71073","MoKα","","0.0937","0.076","","","0.1345","0.1416","","","","","","1.241","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102091","10.64","0.002","16.007","0.003","19.46","0.004","90","","90","","90","","3314.3","1.1","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Et-Ferrotane (COD)","(η^4^-cyclo-octa-1,5-dien)-((+)-1,1'-bis((2R,4R)-2,4-diethyl-phosphotano)- ferrocene)-rhodium(I) tetrafluoroborate","","- C32 H48 B F4 Fe P2 Rh -","- C32 H48 B F4 Fe P2 Rh -","- C128 H192 B4 F16 Fe4 P8 Rh4 -","4","1","","Dai, Z.; Heller, D.; Spannenberg, A.; Drexler, H.-J.","Crystal structure of (h^4^-cycloocta-1,5-dien)-((+)-1,1'-bis((2R,4R)- 2,4-diethyl-phosphotano)-ferrocene)-rhodium(I) tetrafluoroborate, [Rh(C~8~H~12~)Fe(C~12~H~18~FeP)~2~][BF~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","2","109","110","","","","0.71073","MoKα","","0.0515","0.0435","","","0.0862","0.0889","","","","","","0.967","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102114","11.246","0.002","12.222","0.002","19.637","0.004","90","","90","","90","","2699.1","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","dichloro((S)-2-(anilinomethyl)-pyrrolidine)palladium(II)","","- C11 H16 Cl2 N2 Pd -","- C11 H16 Cl2 N2 Pd -","- C88 H128 Cl16 N16 Pd8 -","8","2","","El Firdoussi, Larbi; Ait Ali, Mustapha; Karim, Abdallah; Spannenberg, Anke","Crystal structure of dichloro((S)-2-(anilinomethyl)pyrrolidine)-palladium (II), Pd(Cl)~2~(C~11~H~16~N~2~)","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","195","196","","","","0.71073","MoKα","","0.0316","0.0265","","","0.0587","0.0604","","","","","","0.986","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102116","9.8038","0.0012","13.3687","0.0016","21.574","0.003","90","","90","","90","","2827.6","0.6","295","2","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","bromo-(1,10-phenanthroline-N,N')- (4-(N,N-dimethylamino)phenyldiphenylphosphine)-copper(i)","","- C32 H28 Br Cu N3 P -","- C32 H28 Br Cu N3 P -","- C128 H112 Br4 Cu4 N12 P4 -","4","1","","Al-Fayez, Sahar; Abdel-Rahman, Laila H.; Shemsi, Ahsan M.; Seddigi, Zaki S.; Fettouhi, Mohammed","Crystal structure of bromo-(1,10-phenanthroline-N,N')-(4-(N,N-dimethylamino) phenyldiphenylphosphine)-copper(I), CuBr(C~12~H~8~N~2~)(C~20~H~20~NP)","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","205","206","","","","0.71073","MoKα","","0.0522","0.0364","","","0.0792","0.0859","","","","","","1.022","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102133","6.6095","0.0005","13.1672","0.0009","21.4674","0.0014","90","","90","","90","","1868.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-(N,N-dimethyl)aminodithiocarbamoyloxymatrine","","- C18 H29 N3 O S2 -","- C18 H29 N3 O S2 -","- C72 H116 N12 O4 S8 -","4","1","","Wang, Wei; Duan, Zhen-Hua; Zhang, Jing-Tao; Li, Bao-Lin","Crystal structure of 4-(N,N-dimethyl)aminodithiocarbamoyloxymatrine, C~18~H~29~N~3~OS~2~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","239","240","","","","0.71073","MoKα","","0.0367","0.0319","","","0.0763","0.0793","","","","","","1.058","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102135","13.491","0.001","14.26","0.001","21.43","0.002","90","","90","","90","","4122.7","0.6","273.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","aqua(benzoylacetonato)(R,R-dibenzoylstilbene-diamine)(nitro)nickel(II) ethanol solvate","","- C41.88 H48.43 N3 Ni O7.91 -","- C41.82 H48.46 N3 Ni O7.91 -","- C167.28 H193.84 N12 Ni4 O31.64 -","4","1","","Miyamoto, Keiko; Yajima, Tomoko; Horn, Ernst; Fukuda, Yutaka","Crystal structure of aqua(benzoylacetonato)(R,R-dibenzylstilbene-diamine) (nitrato)nickel(II) ethanol disolvate, Ni(H~2~O)(C~10~H~10~O~2~)(C~28~H~28~N~2~) (NO~3~) · 1.9C~2~H~5~OH","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","243","245","","","","0.7107","MoKα","","","0.05","","","","0.0528","","","","","","0.252","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8102139","8.6267","0.0007","23.4871","0.0019","28.7","0.002","90","","90","","90","","5815.1","0.8","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","tetraphenylphosphonium dichlorotetrakis(3-phenoxypropionato)diruthenium(II,III)","","- C60 H56 Cl2 O12 P Ru2 -","- C60 H56 Cl2 O12 P Ru2 -","- C240 H224 Cl8 O48 P4 Ru8 -","4","1","","González-Prieto, Rodrigo; Jiménez-Aparicio, Reyes; Luis Priego, J.; Rosario Torres, M.","Crystal structure of tetraphenylphosphonium dichlorotetrakis (3-phenoxypropionato)diruthenium(II,III), [P(C~6~H~5~)~4~][Ru~2~Cl~2~(O~3~C~9~H~9~)~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","271","273","","","","0.71073","MoKα","","0.1663","0.0639","","","0.1506","0.1837","","","","","","0.879","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102168","7.6112","0.0002","9.2521","0.0004","20.2174","0.0009","90","","90","","90","","1423.7","0.1","200","0.1","200","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","bis(η^5^-6,6-dimethylcyclohexadienyl)chromium","","- C16 H22 Cr -","- C16 H22 Cr -","- C64 H88 Cr4 -","4","1","","Ernst, Richard D.; Basta, Rehan; Arif, Atta M.","Crystal structure of bis(η^5^-6,6-dimethylcyclohexadienyl)chromium, Cr(C~8~H~11~)~2~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","335","336","","","","0.71073","MoKα","","0.0837","0.0456","","","0.0739","0.0847","","","","","","1.041","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102173","9.5027","0.0013","10.2463","0.0012","21.1","0.002","90","","90","","90","","2054.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3S,4R,5R)-3-(tert-butoxycarbonylamino-1,2-O-isopropylidene-4-O-methoxy- methyl-5-methylhexane-1,2,4,6-tetrol","","- C17 H33 N O7 -","- C17 H33 N O7 -","- C68 H132 N4 O28 -","4","1","","Frey, Wolfgang; Li, Feng; Jäger, Volker","Crystal structure of (2S,3S,4R,5R)-3-(tert-butoxycarbonylamino-1,2- O-isopropylidene-4-O-methoxymethyl-5-methylhexane-1,2,4,6-tetrol, C~17~H~33~NO~7~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","353","354","","","","1.54178","CuKα","","0.1375","0.077","","","0.1831","0.241","","","","","","1.046","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102174","7.5297","0.0018","7.7321","0.0017","18.921","0.003","90","","90","","90","","1101.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3R,4S)-1'-deoxy-omuralide","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Frey, Wolfgang; Li, Feng; Jäger, Volker","Crystal structure of (2S,3R,4S)-1'-deoxy-omuralide, C~10~H~15~NO~3~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","355","356","","","","0.71073","MoKα","","0.0742","0.0573","","","0.1329","0.1413","","","","","","1.091","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102176","9.1627","0.0007","11.9106","0.0012","16.6391","0.0013","90","","90","","90","","1815.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3S,4R)-1-tert-butoxycarbonylamino-3-hydroxy-2-isobutyl-4-methylproline methyl ester","","- C16 H29 N O5 -","- C16 H29 N O5 -","- C64 H116 N4 O20 -","4","1","","Frey, Wolfgang; Li, Feng; Jäger, Volker","Crystal structure of (2S,3S,4R)-1-tert-butoxycarbonylamino-3-hydroxy- 2-isobutyl-4-methylproline methyl ester, C~16~H~29~NO~5~","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","359","360","","","","1.54178","CuKα","","0.0874","0.0613","","","0.1564","0.2027","","","","","","1.066","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102188","10.147","0.002","13.246","0.003","18.827","0.004","90","","90","","90","","2530.5","0.9","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","(R)-catASium M-Rh-NBD","(2,3-bis((2R,5R)-2,5-dimethylphosphonalyl)maleic anhydride)- (η^4^-norbornadiene)-rhodium(I) tetrafluoroborate","","- C23 H32 B F4 O3 P2 Rh -","- C23 H32 B F4 O3 P2 Rh -","- C92 H128 B4 F16 O12 P8 Rh4 -","4","1","","Holz, Jens; Börner, Armin; Heller, Detlef; Drexler, Hans-Joachim","Crystal structure of (2,3-bis((2R,5R)-2,5-dimethyl-phosphonalyl)maleic anhydride)-(η^4^-norbornadiene)-rhodium(I) tetrafluoroborate, [Rh(C~7~H~8~)(C~16~H~24~O~3~P~2~)][BF~4~]","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","4","463","464","","","","0.71073","MoKα","","0.0272","0.0252","","","0.0665","0.067","","","","","","1.048","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102214","4.8525","0.0009","16.741","0.004","19.351","0.004","90","","90","","90","","1572","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","manganese(II) biquinolinedicarboxylate monohydrate","","- C20 H12 Mn N2 O5 -","- C20 H10 Mn N2 O5 -","- C80 H40 Mn4 N8 O20 -","4","1","","Sangeetha Karthikeyan; Torsten Irrgang; Rhett Kempe","Crystal structure of manganese(II) biquinolinedicarboxylate monohydrate, Mn(H2O)(C2H10N2O4)","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","1","53","","","","","0.71073","MoKα","","0.1719","0.0946","","","0.1282","0.1532","","","","","","1.076","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102233","5.3692","0.0004","13.1524","0.0011","22.0043","0.0018","90","","90","","90","","1553.9","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","trans-3,4,5-trimethoxy-4'-hydroxystilbene","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Jian Guo; Baolin Li; Wei Wang; Yitian Lai","Crystal structure of (E)-1-(4-hydroxyphenyl)-2-(3,4,5-trimethoxyphenyl)-ethene, C17H18O4, a trans-stilbene","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","2","127","","","","","0.71073","MoKα","","0.0624","0.0423","","","0.1125","0.1264","","","","","","1.073","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102235","7.177","0.0006","10.396","0.0009","11.121","0.0009","90","","90","","90","","829.76","0.12","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","aquazinc(II) glutamate hydrate","","- C5 H11 N O6 Zn -","- C5 H11 N O6 Zn -","- C20 H44 N4 O24 Zn4 -","4","1","","Sebastian Proch; Jose M. Rivera Villanueva; Torsten Irrgang; Christian Döring; Rhett Kempe","Refinement of the crystal structure of aquazinc(II) glutamate hydrate, Zn(H2O)(C5H7NO4) · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","1","55","","","","","0.71069","MoKα","","0.0187","0.0177","","","0.0423","0.0425","","","","","","1.102","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102255","7.1918","0.0011","9.569","0.0014","14.822","0.002","90","","90","","90","","1020","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-((2aR,2a^1^S,3S,5aS,7R)-3,7-dihydroxy-2a,2a^1^,3,5a,6, 7-hexahydroindeno[1,7-cd]isoxazol-5a-yl)acetamide","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","1","","Brian O. Patrick; Brian A. Mendelsohn; Marco A. Ciufolini","Crystal structure of N-((2aR,2a1S,3S,5aS,7R)-3,7-dihydroxy-2a,2a1,3,5a,6,7-hexahydroindeno[1,7-cd]-isoxazol-5a-yl)acetamide, C11H14N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","3","203","","","","","0.71073","MoKα","","0.0489","0.0367","","","0.0776","0.0828","","","","","","1.031","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102257","5.2287","0.001","10.839","0.002","13.542","0.003","90","","90","","90","","767.5","0.3","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H10 Co N2 O5 -","- C4 H10 Co N2 O5 -","- C16 H40 Co4 N8 O20 -","4","1","","Wen Wu; Ji-Min Xie; Ya-Wen Xuan; Yan-Min Hou","Crystal structure of monoaqua-bis(glycinato-N,O)-cobalt(II), Co(H2O)(C2H4NO2)2","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","2","133","","","","","0.71073","MoKα","","0.049","0.0437","","","0.1127","0.1204","","","","","","1.087","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102292","10.4449","0.0019","11.327","0.002","15.937","0.003","90","","90","","90","","1885.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","methyl 3-O-acetyl-2-[1-imidazol-1-yl-(E)-ethylideneamino]-2,4,6-trideoxy-4,6-diiodo-a-D-galactopyranoside","","- C14 H19 I2 N3 O4 -","- C14 H19 I2 N3 O4 -","- C56 H76 I8 N12 O16 -","4","1","","Wolfgang Frey; Robert Sardzik; Volker Jäger","Crystal structure of methyl 3-O-acetyl-2-[1-imidazol-1-yl-(E)-ethylideneamino]-2,4,6-trideoxy-4,6-diiodo-α-D-galactopyranoside, C14H19I2N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","3","257","","","","","0.71073","MoKα","","0.0698","0.0472","","","0.0814","0.0887","","","","","","1.104","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102305","8.304","0.004","13.779","0.007","15.104","0.008","90","","90","","90","","1728.2","1.5","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N4 O S -","- C18 H18 N4 O S -","- C72 H72 N16 O4 S4 -","4","1","","Qi-Chun Ding; Jian-Yu Jin; Li-Xue Zhang; Chang-Feng Zhou; Xiao-Qing Cai","Crystal structure of (E)-3-(2-ethoxyphenyl)- 4-(4-methylbenzylidene- amino)-1H-1,2,4-triazole-5(4H)-thione, C18H18N4OS","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","3","287","","","","","0.71073","MoKα","","0.0757","0.0704","","","0.1421","0.1444","","","","","","1.284","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102320","6.587","","13.118","","25.322","","90","","90","","90","","2188.03","","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(2S,3S,1'S)-2-ethyl-N-(1-hydroxymethyl-2-methylpropyl)-2-methyl-3- phenyl-3-phenylamino propanamide","","- C23 H32 N2 O2 -","- C23 H32 N2 O2 -","- C92 H128 N8 O8 -","4","1","","Vito Capriati; Leonardo Degennaro; Saverio Florio; Renzo Luisi; Corrado Cuocci; Gaetano Campi","Crystal structure of (+)-(2S,3S,1'S)-2-ethyl-N-(1-hydroxymethyl-2-methylpropyl)-2-methyl-3-phenyl-3-phenylamino propanamide, C23H32N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","481","","","","","0.71073","MoKα","","0.1442","0.0775","","","0.1807","0.2171","","","","","","1.036","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102338","7.6873","0.0002","11.9159","0.0003","12.1398","0.0003","90","","90","","90","","1112.02","0.05","233","2","233","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H11 Cl3 N2 Pt -","- C7 H11 Cl3 N2 Pt -","- C28 H44 Cl12 N8 Pt4 -","4","1","","Gino Bentivoglio; Klaus Wurst; Gerhard Laus; Gerhard Nauer; Herwig Schottenberger","Crystal structure of h2-1-allyl-3-methylimidazolium trichloroplatinate(II), [C7H11N2][PtCl3]","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","441","","","","","0.71073","MoKα","","0.0183","0.0181","","","0.0447","0.0447","","","","","","1.093","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102352","15.0009","0.0016","20.005","0.002","23.115","0.003","90","","90","","90","","6936.6","1.4","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C79 H74 O16 -","- C79 H74 O16 -","- C316 H296 O64 -","4","1","","Hui-Liang Wen; Bo-Wen Lai; Xiu-Li Du; Ming-Yong Xie; Xiao-Bo Hu; Zi-Sheng Wu","Crystal structure of acetic acid 4,5-diacetoxy-2-(3,4-diacetoxy-2,5-bis-trityloxymethyl-tetrahydrofuran-2-yloxy)-6-trityloxymethyl-tetrahydro-pyran-3-ylester, C79H74O16","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","517","","","","","0.71073","MoKα","","0.1152","0.0668","","","0.1804","0.2178","","","","","","1.025","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8102355","4.933","0.0001","16.711","0.0004","17.1695","0.0004","90","","90","","90","","1415.37","0.06","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-((2R,3R,4S,5R)-3,4-Dihydroxy-5-hydroxymethyltetrahydrofuran-2-yl)-2- propylsulfanyl-1H-pyrimidin-4-one C12 H18 N2 O5 S","","- C12 H18 N2 O5 S -","- C12 H18 N2 O5 S -","- C48 H72 N8 O20 S4 -","4","1","","Harald Euler; Armin Kirfel; Ali El-Tayeb; Christa E. Müller","Crystal structure of 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydrofuran-2-yl)-2-propylsulfanyl-1H-pyrimidin-4-one, C12H18N2O5S","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","107","","10.1524/ncrs.2009.0050","","","0.71073","MoKα","","0.0591","0.0393","","","0.1013","0.1086","","","","","","0.999","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102381","24.7379","0.0014","10.512","0.0008","10.3749","0.0006","90","","90","","90","","2697.9","0.3","210","2","210","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl 3,4,6-tri-O-benzyl-2-deoxy- 2-C-nitromethyl-β-D-galactopyranoside","","- C29 H33 N O7 -","- C29 H33 N O7 -","- C116 H132 N4 O28 -","4","1","","Elangovan Elamparuthi; Torsten Linker; Alexandra Kelling; Uwe Schilde","Crystal structure of methyl 3,4,6-tri-O-benzyl-2-deoxy-2-C-nitromethyl-β-D-galactopyranoside, C29H33NO7","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","67","","","","","0.71073","MoKα","","0.0596","0.0422","","","0.0978","0.1054","","","","","","0.95","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102382","6.3919","0.0001","7.3659","0.0002","22.8347","0.0005","90","","90","","90","","1075.11","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O3 -","- C11 H19 N O3 -","- C44 H76 N4 O12 -","4","1","","Jian-Feng Liu; Hui-Duo Xian; Hua-Qiong Li; Guo-Liang Zhao","Crystal structure of adamantylammonium bicarbonate, [C10H18N]HCO3","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","69","","","","","0.71073","MoKα","","","0.0438","","","0.1194","0.1293","","","","","","1.079","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102407","7.324","0.0013","11.946","0.002","19.336","0.004","90","","90","","90","","1691.8","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","R-(+)-2-bromo-alpha-methyl benzylalcohol","R-(+)-2-bromo-α-methyl benzylalcohol","","- C8 H9 Br O -","- C8 H9 Br O -","- C64 H72 Br8 O8 -","8","2","","Richard J. Staples; Peter A. Wood","Crystal structure of R-(+)-1-(2-bromophenyl)ethanol, C8H9BrO","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","119","","","","","0.71073","MoKα","","0.1026","0.0484","","","0.085","0.1","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"8102409","12.191","0.002","14.123","0.003","14.496","0.003","90","","90","","90","","2495.8","0.8","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chloro bis((R,E)-N-((furan-2-yl)methylene)-1-phenylethanamine) palladium(II)","","","- C26 H26 Cl2 N2 O2 Pd -","- C26 H26 Cl2 N2 O2 Pd -","- C104 H104 Cl8 N8 O8 Pd4 -","4","1","","Ming Yue; Yue Zou","Crystal structure of dichloro-bis((R,E)-N-((furan-2-yl)methylene)-1-phenylethanamine)palladium(II), PdCl2(C13H13NO)2","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","1","155","","","","","0.71073","MoKα","","0.0304","0.0272","","","0.0579","0.0592","","","","","","1.033","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8102440","12.196","0.002","14.143","0.003","14.479","0.003","90","","90","","90","","2497.5","0.8","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chloro bis((S,E)-N-((furan-2-yl)methylene)-1-phenylethanamine) palladium(II)","chloro bis((S,E)-N-((furan-2-yl)methylene)-1 -phenylethanamine) palladium (II), [Pd(Cl)~2~(C~13~H~13~NO)]","","- C26 H26 Cl2 N2 O2 Pd -","- C26 H26 Cl2 N2 O2 Pd -","- C104 H104 Cl8 N8 O8 Pd4 -","4","1","","Ming Yue; Yue Zou","Crystal structure of dichlorobis((S,E)-N-((furan-2-yl)methylene)-1-phenylethanamine)palladium(II), PdCl2(C13H13NO)2","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","449","","","","","0.71073","MoKα","","0.0376","0.0326","","","0.0671","0.0693","","","","","","1.008","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102452","9.1036","0.0018","10.325","0.002","26.343","0.005","90","","90","","90","","2476.1","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Crystal structure of (3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-oxoisochroman-7-carboxylic acid","","- C13 H14 O6 -","- C13 H14 O6 -","- C104 H112 O48 -","8","2","","Hong Chang; Xiang Li; Jing Fu; Kui Cheng; Yong-Hao Ye; Jian-Hua Guo","Crystal structure of (3R,4S)-6,8-dihydroxy-3,4,5-trimethyl-1-oxoisochroman-7-carboxylic acid, C13H14O6","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","425","","","","","0.71073","MoKα","","0.0488","0.0405","","","0.1105","0.1211","","","","","","1.061","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102470","5.7479","0.0008","10.9085","0.0015","15.37","0.002","90","","90","","90","","963.7","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Ce N2 O7 -","- C6 H8 Ce N2 O7 -","- C24 H32 Ce4 N8 O28 -","4","1","","Xun Feng; Jian-She Zhao; Xin-Ge Shi; Fang Ruan","Crystal structure of triaqua-(pyrazine-2,3- dicarboxylato)cerium(III), Ce(H2O)3(C6H2N2O4)","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","71","","","","","0.71073","MoKα","","0.0464","0.0446","","","0.1211","0.1233","","","","","","1.046","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102498","9.1876","0.0016","9.2514","0.0015","23.697","0.003","90","","90","","90","","2014.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2,3,4,6-tetra-O-acetyl-1-thio-α-D-mannopyranoside","","- C16 H24 O9 S -","- C16 H24 O9 S -","- C64 H96 O36 S4 -","4","1","","Wolfgang Frey; Sascha Wilhelm Schäfer; Jörg Pietruszka","Crystal structure of ethyl 2,3,4,6-tetra-O-acetyl-1-thio-a-D-mannopyranoside, C16H24O9S","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","551","","","","","0.71073","MoKα","","0.1023","0.07","","","0.1451","0.158","","","","","","1.061","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102499","8.7728","0.0011","11.9","0.0014","16.6878","0.0018","90","","90","","90","","1742.1","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2,3,4-tri-O-acetyl-1-thio-β-L-rhamnopyranoside","","- C14 H22 O7 S -","- C14 H22 O7 S -","- C56 H88 O28 S4 -","4","1","","Wolfgang Frey; Sascha Wilhelm Schäfer; Jörg Pietruszka","Crystal structure of ethyl 2,3,4-tri-O-acetyl-1-thio-b-L-rhamnopyranoside, C14H22O7S","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","553","","","","","1.54178","CuKα","","0.0961","0.0638","","","0.1338","0.1638","","","","","","1.039","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102500","8.7575","0.0014","9.128","0.002","25.386","0.005","90","","90","","90","","2029.3","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl 2,3,4,6-tetra-O-acetyl-1-thio-β-D-galactopyranoside","","- C16 H24 O9 S -","- C16 H24 O9 S -","- C64 H96 O36 S4 -","4","1","","Wolfgang Frey; Sascha Wilhelm Schäfer; Jörg Pietruszka","Crystal structure of ethyl 2,3,4,6-tetra-O-acetyl-1-thio-b-D-galactopyranoside, C16H24O9S","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","555","","","","","0.71073","MoKα","","0.0988","0.0595","","","0.1091","0.1208","","","","","","1.063","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102509","7.9366","0.0006","11.2874","0.0006","13.7704","0.0011","90","","90","","90","","1233.6","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3S)-3-(Aminomethyl)-3-(methylamino)-pentane-1,2,5-triol bis(hydrochloride)","","- C7 H20 Cl2 N2 O3 -","- C7 H20 Cl2 N2 O3 -","- C28 H80 Cl8 N8 O12 -","4","1","","Wolfgang Frey; Mohammad Ibrahim; Volker Jäger","Crystal structure of (2S,3S)-3-(aminomethyl)-3-(methylamino)pentane-1,2,5-triol bis(hydrochloride), [C7H20N2O3]Cl2","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","585","","","","","1.54178","CuKα","","0.0574","0.0525","","","0.1292","0.1363","","","","","","1.059","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102510","8.0695","0.0018","9.942","0.003","21.151","0.004","90","","90","","90","","1696.9","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,1?S)-3-(1?,2?-O-cyclohexylidenedioxyethyl)-2,5,5-trimethyl-3-nitro-methyltetrahydro-1,2-oxazole","","- C15 H26 N2 O5 -","- C15 H26 N2 O5 -","- C60 H104 N8 O20 -","4","1","","Wolfgang Frey; Mohammad Ibrahim; Volker Jäger","Crystal structure of (3R,1'S)-3-(1',2'-O-cyclohexylidenedioxyethyl)-2,5,5-trimethyl-3-nitromethyltetrahydro-1,2-oxazole, C15H26N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","587","","","","","0.71073","MoKα","","0.1156","0.0688","","","0.1279","0.1424","","","","","","1.062","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102530","8.9228","0.0009","11.6108","0.0011","13.8766","0.0014","90","","90","","90","","1437.6","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","trichlorido-3-(2-(N-1<i>H</i>-methylpyrrolidinyl)) pyridine-zinc(II), [ZnCl~3~[H-(Nicotine)]]","","- C10 H15 Cl3 N2 Zn -","- C10 H15 Cl3 N2 Zn -","- C40 H60 Cl12 N8 Zn4 -","4","1","","Zheng-Jing Jiang; Guo-Dong Tang; Yu Zhang; Jian-Ying Zhao; Gang Wang","Crystal structure of [3-(2-(N-1H-methylpyrrolidinyl))pyridine]zinc(II) trichloride, Zn(C10H15N2)Cl3","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","577","","","","","0.71073","MoKα","","0.028","0.0253","","","0.0671","0.0681","","","","","","1.068","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8102545","6.0742","0.0003","9.7189","0.0006","26.7002","0.0011","90","","90","","90","","1576.23","0.14","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2S,4S,7S)-7,7-Dichloro-4-(1-chloro-1-methyl-ethyl) -1-(2,2,2-trichloro-ethyl)bicyclo[4.1.0]heptane","","- C12 H16 Cl6 -","- C12 H16 Cl6 -","- C48 H64 Cl24 -","4","1","","Brahim Boualy; Larbi El Firdoussi; Mustapha Ait Ali; Abdallah Karim; Anke Spannenberg","Crystal structure of (2S,4S,7S)-7,7-dichloro-4-(1-chloro-1-methyl-ethyl)-1-(2,2,2-trichloroethyl)-bicyclo[4.1.0]heptane, C12H16Cl6","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","631","","","","","0.71073","MoKα","","0.0205","0.0185","","","0.0442","0.0445","","","","","","0.967","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102591","4.1116","0.0006","8.4365","0.0013","22.272","0.003","90","","90","","90","","772.56","0.19","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C2 H2 Cl2 N2 Pb S2 -","- C2 H2 Cl2 N2 Pb S2 -","- C8 H8 Cl8 N8 Pb4 S8 -","4","1","","Pu-Zhou Hu; Jian-Hua Qin","Crystal structure of catena-poly[(1,3,4-thiadiazolium-2-thiolato)lead(II) dichloride], Pb(C2H2N2S2)Cl2","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","705","","","","","0.71073","MoKα","","0.0268","0.0241","","","0.0511","0.0522","","","","","","1.072","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102596","6.3193","0.0006","10.1109","0.001","26.565","0.003","90","","90","","90","","1697.3","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2-bis(4-chlorophenoxy)benzo[d][1,3]dioxole, C~19~H~12~Cl~2~O~4~","","- C19 H12 Cl2 O4 -","- C19 H12 Cl2 O4 -","- C76 H48 Cl8 O16 -","4","1","","Chenzhong Cao; Yueping Shan","Crystal structure of 2,2-bis(4-chlorophenoxy)benzo[d][1,3]dioxole, C19H12Cl2O4","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","4","723","","","","","0.71073","MoKα","","0.0379","0.0291","","","0.0668","0.0709","","","","","","1.034","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102598","5.769","0.0007","13.3296","0.0016","15.1264","0.0018","90","","90","","90","","1163.2","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(3-Bromopropyloxy)naphthalene","","- C13 H13 Br O -","- C13 H13 Br O -","- C52 H52 Br4 O4 -","4","1","","Pu-Zhou Hu; Shao-Bin Miao; Jian-Ge Wang; Bang-Tun Zhao","Crystal structure of 2-(3-bromopropyloxy)naphthalene, C13H13BrO","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","77","","","","","0.71073","MoKα","","0.0601","0.036","","","0.0856","0.0926","","","","","","1.054","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102623","5.7011","0.0004","8.9203","0.0006","23.571","0.002","90","","90","","90","","1198.72","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 N O4 S -","- C11 H13 N O4 S -","- C44 H52 N4 O16 S4 -","4","1","","Carolin Lauf; Clemens Bruhn; Herbert Frauenrath","Crystal structure of N-tosyl-2-methylserine-b-lactone, C11H13NO4S","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","1","137","","","","","0.71073","MoKα","","0.0358","0.0282","","","0.0601","0.0618","","","","","","0.983","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102689","6.532","0.002","6.746","0.0017","32.69","0.009","90","","90","","90","","1440.5","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3S)-3-(1-Adamantyl)-3-aminopropane-1,2-diol hydrochloride monohydrate, C~13~H~24~ClNO~2~ H~2~O","","- C13 H26 Cl N O3 -","- C13 H26 Cl N O3 -","- C52 H104 Cl4 N4 O12 -","4","1","","Wolfgang Frey; Alevtina Baskakova; Volker Jäger","Crystal structure of (2S,3S)-3-(1-adamantyl)-3-aminopropane-1,2-diol hydrochloride monohydrate, [C13H24NO2]Cl · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","247","","","","","0.71073","MoKα","","0.112","0.0764","","","0.1712","0.1867","","","","","","1.106","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102733","7.396","0.0014","11.492","0.002","16.03","0.003","90","","90","","90","","1362.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","","Xue-Kui Xia; Yong-Gang Zhang; Xin Liu; Wen-Peng Yuan; Mian-Song Zhang; Xiao-Jun Wang; Xiu-Mei Meng; Chang-Heng Liu","Crystal structure of (R)-benzyl 2-oxoazepan-3-ylcarbamate, C14H18N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","2","387","","","","","0.71073","MoKα","","0.0458","0.0312","","","0.072","0.0796","","","","","","1.004","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102761","10.4874","0.0004","15.9036","0.0005","26.136","0.0012","90","","90","","90","","4359.2","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C68 H80 N8 Ni4 O34 -","- C68 H67 N8 Ni4 O34 -","- C136 H134 N16 Ni8 O68 -","2","0.5","","Li-Jing Fan; Ying-Ying Liu","Crystal structure of aquabis(m4-benzene-1,3,5-tricarboxylato-k4O1:O2:O3:O5)-[m2-N,N'-bis(3-pyridylmethylammonium)butane-k2N:N']dinickel(II) tetrahydrate, Ni2(H2O)(C9H3O6)2(C16H24N4) · 4H2O","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","3","486","","","","","0.71073","MoKα","","0.1212","0.0588","","","0.1249","0.1383","","","","","","0.965","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8102767","6.358","0.0011","9.4232","0.0015","12.9682","0.0018","90","","90","","90","","777","0.2","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","fluorinated gallium phosphite, (C~2~N~2~H~10~)[GaF~3~(HPO~3~)]","","- C2 H11 F3 Ga N2 O3 P -","- C2 H11 F3 Ga N2 O3 P -","- C8 H44 F12 Ga4 N8 O12 P4 -","4","1","","Xing-Chao Duan","Crystal structure of (ethan-1,2-diammonium) (m3-hydrogen phosphito)trifluorogallium(III), (C2H10N2)[GaF3(HPO3)]","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","787","","","","","0.71073","MoKα","","0.0412","0.0393","","","0.1051","0.1059","","","","","","1.08","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102794","8.1093","0.0006","9.8455","0.0006","12.1579","0.0006","90","","90","","90","","970.69","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,1'S)-3-(1',2'-dihydroxyethyl)-2,3-dimethyl-tetrahydro-1,2-oxazolium chloride'","","- C7 H16 Cl N O3 -","- C7 H16 Cl N O3 -","- C28 H64 Cl4 N4 O12 -","4","1","","Wolfgang Frey; Yaser Bathich; Marco Henneböhle; Volker Jäger","Crystal structure of (3S,1'S)-3-(1',2'-dihydroxyethyl)-2,3-dimethyl-tetrahydro-1,2-oxazolium chloride, C7H16ClNO3","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","3","585","","","","","1.54178","CuKα","","0.0686","0.0583","","","0.138","0.1499","","","","","","1.039","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102800","10.2132","0.0015","13.211","0.002","15.574","0.003","90","","90","","90","","2101.3","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4R,5R,6R)-2-benzyl-3-methyl-4,5-O-isopropylidene- dioxy-6-(N-benzyl-hydroxylamino)-tetrahydro-1,2-oxazine","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","","Wolfgang Frey; Hua Yang; Andreas Marc Palmer; Volker Jäger","Crystal structure of (3R,4R,5R,6R)-2-benzyl-3-methyl-4,5-O-isopropylidenedioxy-6-(N-benzylhydroxylamino)-tetrahydro-1,2-oxazine, C22H28N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","3","587","","","","","0.71073","MoKα","","0.0516","0.0416","","","0.0994","0.1053","","","","","","1.067","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102801","5.4614","0.0011","17.508","0.004","18.562","0.003","90","","90","","90","","1774.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R,4R,5R,6S,1'R)-2-benzyl-3-methyl-4,5-O-isopropylidene- dioxy-6-(1'-nitroethyl)-tetrahydro-1,2-oxazine","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C68 H96 N8 O20 -","4","1","","Wolfgang Frey; Hua Yang; Volker Jäger","Crystal structure of (3R,4R,5R,6S,1'R)-2-benzyl-3-methyl-4,5-O-isopropylidene-dioxy-6-(1'-nitroethyl)-tetrahydro-1,2-oxazine, C17H24N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","3","589","","","","","0.71073","MoKα","","0.0671","0.0485","","","0.1242","0.1354","","","","","","1.04","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8102803","7.0524","0.0019","11.472","0.003","16.774","0.005","90","","90","","90","","1357.1","0.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Formylanonaine","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C72 H60 N4 O12 -","4","1","","Xiao-Ling Wang; Bin-Rui Liu","Crystal structure of N-formylanonaine, C18H15NO3, at 103 K","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","3","559","","","","","0.71073","MoKα","","0.0351","0.0323","","","0.0751","0.0768","","","","","","1.001","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102827","6.5482","0.0013","12.609","0.003","16.605","0.003","90","","90","","90","","1371","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(5-methyl-3-phenyl-1H-pyrazol-1-yl)propanamidemonohydrate, (C~13~H~15~N~3~O^.^H~2~O)","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C52 H68 N12 O8 -","4","1","","Cheng-Jun Hao; Yao-Ling Wang; Song-Tao Chen","Crystal structure of 3-(5-methyl-3-phenyl-1H-pyrazol-1-yl)propanamide hydrate, C13H15N3O · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","727","","","","","0.71073","MoKα","","0.0627","0.0431","","","0.1055","0.1299","","","","","","1.086","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102857","9.7438","0.0003","15.4432","0.0005","18.3668","0.0006","90","","90","","90","","2763.75","0.15","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-((6-(3-(1-(2-cyanobenzyl)-3-methyl-2,4-dioxo- 1,2,3,4-tetrahydropyrimidin-1-yl)aminopiperidin-1-yl)-3-methyl-2,4-dioxo- 1,2,3,4-tetrahydropyrimidin-1-yl)methyl)benzonitrile, C~31~H~30~N~8~O~4~","","- C31 H30 N8 O4 -","- C31 H30 N8 O4 -","- C124 H120 N32 O16 -","4","1","","Gerhard Laus; Klaus Wurst; Sven Nerdinger; Herwig Schottenberger","Crystal structure of (R)-2-((6-(3-(1-(2-cyanobenzyl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)aminopiperidin-1-yl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl)benzonitrile, C31H30N8O4","Zeitschrift für Kristallographie - New Crystal Structures","2010","225","4","756","","","","","0.71073","MoKα","","0.0789","0.0457","","","0.0789","0.0864","","","","","","1.015","","","","has coordinates","202018","2020-10-21","18:00:00",""
"8102945","5.038","0.002","12.154","0.002","16.041","0.003","90","","90","","90","","982.2","0.5","293","1","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","indium triiodate dihydrate","","- H4 I3 In O11 -","- I3 In O11 -","- I12 In4 O44 -","4","1","","Phanon, D.; Gautier-Luneau, I.","Crystal structure of indium triiodate dihydrate, In[IO~3~]~3~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","3","247","248","","","","0.56085","AgKα","","0.0303","0.0219","","","0.0389","0.0418","","","","","","1.154","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103023","10.9199","0.0016","11.5088","0.0016","16.173","0.002","90","","90","","90","","2032.5","0.5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 Cl2 Co N5 O10 -","- C12 H22 Cl2 Co N5 O10 -","- C48 H88 Cl8 Co4 N20 O40 -","4","1","","Feng-Mei Nie; Zhi-Yun Dong","Crystal structure of (picolinato-N,O)[tris(2-aminoethyl)amine-N,N', N'',N''']cobalt(III) diperchlorate, [Co(C6H18N4)(C6H4O2N)][ClO4]2","Zeitschrift für Kristallographie - New Crystal Structures","2008","223","4","493","","","","","0.71073","MoKα","","0.0377","0.0285","","","0.0656","0.0704","","","","","","0.984","","","","has coordinates,has disorder","211175","2020-10-21","18:00:00",""
"8103033","7.1355","0.0006","8.7321","0.0008","16.405","0.002","90","","90","","90","","1022.16","0.18","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(Co0.6Mn0.4)2(H2O)[BP3O9(OH)4]","cobalt manganese aqua catena- [monohydrogen-monoborate-tris(monohydrogen-monophosphate)], (Co~0.6~Mn~0.4~)~2~(H~2~O)[BP~3~O~9~(OH)~4~]","","- B Co1.2 H6 Mn0.8 O14 P3 -","- B Co1.2 H6 Mn0.8 O14 P3 -","- B4 Co4.8 H24 Mn3.2 O56 P12 -","4","1","","Ya-Xi Huang; Yurii Prots; Rüdiger Kniep","Crystal structure of cobalt manganese monoaqua catena-[monohydrogenborate-tris(hydrogenphosphate)], (Co0.6Mn0.4)2(H2O)[BP3O9(OH)4]","Zeitschrift für Kristallographie - New Crystal Structures","2009","224","3","371","","","","","0.71073","MoKα","","0.0526","0.0493","","","0.1135","0.1189","","","","","","1.129","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103096","7.402","0.0008","16.6206","0.0018","17.3609","0.0018","90","","90","","90","","2135.8","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-6,6'-Dibromo-2,2'-diethoxy-1,1'-binaphthyl","","- C24 H20 Br2 O2 -","- C24 H20 Br2 O2 -","- C96 H80 Br8 O8 -","4","1","","Lin-Lin Jing; Hai-Bo Wang; Xiao-Li Sun; Hui-Ping Ma; Zheng-Ping Jia","Crystal structure of (S)-6,6'-dibromo-2,2'-diethoxy-1,1'-binaphthyl, C24H20Br2O2","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","1","117","","","","","0.71073","MoKα","","0.0678","0.0458","","","0.1268","0.1391","","","","","","0.997","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103235","4.7452","0.0017","6.412","0.003","24.781","0.008","90","","90","","90","","754","0.5","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","4-Nitrobenzyl chloride","1-Chloromethyl-nitrobenzene","","- C7 H6 Cl N O2 -","- C7 H6 Cl N O2 -","- C28 H24 Cl4 N4 O8 -","4","1","","Richard Betz; Michael Britten-Kelly; Cedric McCleland; Eric Hosten","Refinement of the crystal structure of 1-chloro-methylnitrobenzene, C7H6ClNO2, at 200 K","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","583","","","","","0.71073","MoKα","","0.0366","0.0347","","","0.0886","0.0898","","","","","","1.076","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103261","5.9023","0.0002","7.2617","0.0002","21.5387","0.0007","90","","90","","90","","923.16","0.05","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 Cl N O2 -","- C6 H14 Cl N O2 -","- C24 H56 Cl4 N4 O8 -","4","1","","Richard Betz; Thomas Gerber; Henk Schalekamp; Eric Hosten","Refinement of the crystal structure of L-valinemethylester hydrochloride, C6H13NO2 • HCl, at 200 K","Zeitschrift für Kristallographie - New Crystal Structures","2011","226","4","637","","","","","0.71073","MoKα","","0.0271","0.0262","","","0.0691","0.0699","","","","","","1.046","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103279","4.8534","0.0003","12.4461","0.001","20.7341","0.0019","90","","90","","90","","1252.46","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N'-(5-chloro-2-hydroxybenzylidene)furan-2-carbohydrazide water","","- C12 H11 Cl N2 O4 -","- C12 H11 Cl N2 O4 -","- C48 H44 Cl4 N8 O16 -","4","1","","Hua-Dong Dong","Crystal structure of N'-(5-chloro-2-hydroxybenzylidene)furan-2-carbohydrazide monohydrate, C12H9ClN2O3 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","89","","","","","0.71073","MoKα","","0.083","0.0539","","","0.1083","0.1246","","","","","","1.029","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103281","7.7703","0.0018","13.761","0.003","16.008","0.004","90","","90","","90","","1711.7","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Lu-Tai Pan; Qi-Ji Li; Ya-Hua Liu; Jing-Jie Zhang; Qi-Long Zhang","Crystal structure of 2,16-dien-1,15-dion-6,7-seco-7,20-olide-ent-kaur-6-al, C20H22O5","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","81","","","","","0.71073","MoKα","","0.0494","0.0407","","","0.0866","0.0908","","","","","","1.073","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103282","7.4438","0.0017","14.026","0.003","17.298","0.004","90","","90","","90","","1806","0.7","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O6 -","- C20 H28 O6 -","- C80 H112 O24 -","4","1","","Lu-Tai Pan; Qi-Ji Li; Jing-Jie Zhang; Ya-Hua Liu; Qi-Long Zhang","Crystal structure of 1-oxo-6,15-dihydroxy-6,7-seco-ent-kaura-2,16-dien-7,20-olide monohydrate, C20H26O5 · H2O","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","83","","","","","0.71073","MoKα","","0.0389","0.0355","","","0.0833","0.0857","","","","","","1.032","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103289","6.9826","0.0017","9.271","0.003","24.155","0.008","90","","90","","90","","1563.7","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3S,Z)-3-hydroxy-3,6-dimethyl-2-(3-methylbutylidene)-3,3a,7,7a- tetrahydrobenzofuran-4(2H)-one","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Hubiao Fang; Lei Chen; Nianyu Huang; Junzhi Wang; Zhaojiang Liao","Crystal structure of (3S,Z)-3-hydroxy-3,6-dimethyl-2-(3-methylbutylidene)-3,3a,7,7a-tetrahydrobenzofuran-4(2H)-one, C15H22O3","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","1","87","","","","","0.71073","MoKα","","0.1033","0.0894","","","0.26","0.2848","","","","","","1.013","","","","has coordinates,has disorder","176728","2020-10-21","18:00:00",""
"8103310","6.056","0.005","8.123","0.005","30.747","0.005","90","0.005","90","0.005","90","0.005","1512.5","1.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","not measured","aqua-(5-(4-carboxybenzyloxy)isophthalato)Barium(II)","","- C16 H10 Ba O8 -","- C16 H10 Ba O8 -","- C64 H40 Ba4 O32 -","4","1","","Jing Li; Jian-Fang Ma","Crystal structure of aqua(5-(4-carboxybenzyloxy)isophthalato)barium(II), Ba(H2O)(C16H10O7)","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","277","","","","","0.71069","MoKα","","0.0292","0.0266","","","0.0575","0.0581","","","","","","1.03","","","","has coordinates","201369","2020-10-21","18:00:00",""
"8103323","5.8138","0.0006","11.4314","0.001","17.158","0.002","90","","90","","90","","1140.3","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3-(phenylthio)indene","","- C15 H12 S -","- C15 H12 S -","- C60 H48 S4 -","4","1","","Owen J. Curnow; Kazumi Tsuruta","Crystal structure of 3-(phenylthio)indene, C15H12S","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","127","","","","","0.71073","MoKα","","0.0496","0.0414","","","0.1003","0.1147","","","","","","1.254","","","","has coordinates","176728","2020-10-21","18:00:00",""
"8103333","6.5399","0.0004","6.7787","0.0004","25.943","0.003","90","","90","","90","","1150.11","0.17","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O3 -","- C14 H13 N O3 -","- C56 H52 N4 O12 -","4","1","","Min-Dong Chen; Junfeng Wang; Bo Xiao; Xuan Gong","Crystal structure of N-propynoyl-(5R)-3-methyl-5-phenylmorpholin-2-one, C14H13NO3","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","199","","","","","0.71073","MoKα","","0.0454","0.0443","","","0.1324","0.1332","","","","","","1.068","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103378","7.6061","0.0006","9.4475","0.0008","21.6928","0.0017","90","","90","","90","","1558.8","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 Br Cl2 N O2 -","- C16 H10 Br Cl2 N O2 -","- C64 H40 Br4 Cl8 N4 O8 -","4","1","","Wan-Xi Peng; Cui Le","Crystal structure of 3-(3-bromophenyl)-4-(3,5-dichlorophenylamino)furan-2(5H)-one, C16H10BrCl2NO2","Zeitschrift für Kristallographie - New Crystal Structures","2012","227","2","267","","","","","0.71073","MoKα","","0.0819","0.0385","","","0.0788","0.0894","","","","","","0.986","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8103420","7.53","","12.47","","7.86","","90","","90","","90","","738.047","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ag3 I (N O3)2","","- Ag3 I N2 O6 -","- Ag3 I N2 O6 -","- Ag12 I4 N8 O24 -","4","1","","Birnstock, R.; Britton, D.","Strukturbestimmung von Ag I (Ag N O3)2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1970","132","","87","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103534","6.837","","17.845","","6.633","","90","","90","","90","","809.268","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Rb2 S5 -","- Rb2 S5 -","- Rb8 S20 -","4","1","","Boettcher, P.","Synthesis and crystal structure of the rubidium pentachalcogenides Rb2 S5 and Rb2 Se5","Zeitschrift fuer Kristallographie (149,1979-)","1979","150","","65","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103535","7.135","","18.299","","6.91","","90","","90","","90","","902.193","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Rb2 Se5 -","- Rb2 Se5 -","- Rb8 Se20 -","4","1","","Boettcher, P.","Synthesis and crystal structure of the rubidium pentachalcogenides Rb2 S5 and Rb2 Se5","Zeitschrift fuer Kristallographie (149,1979-)","1979","150","","65","73","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8103602","10.909","","9.762","","9.45","","90","","90","","90","","1006.36","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Tl2 (B4 O6 (O H)2) (H2 O)2","","- B4 H6 O10 Tl2 -","- B4 O10 Tl2 -","- B16 O40 Tl8 -","4","1","","Woller, K.H.; Heller, G.","Roentgenstrukturanalysen an wasserhaltigen Thalliumpolyboraten I. Die Struktur von Tl2 (B4 O6 (O H)2) (H2 O)2","Zeitschrift fuer Kristallographie (149,1979-)","1981","156","","151","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103824","6.1112","","12.136","","27.464","","90","","90","","90","","2036.88","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","K5 ((U O2) (Cr O4)3) (N O3) (H2 O)3","","- Cr3 H6 K5 N O20 U -","- Cr3 K5 N O20 U -","- Cr12 K20 N4 O80 U4 -","4","1","","Krivovichev, S.V.; Burns, P.C.","Structural topology of potassium uranyl chromates: crystal structures of K8 ((U O2) (Cr O4)4) (N O3)2, K5 ((U O2) (Cr O4)3) (NO3) (H2 O)3, K4 ((U O2)3 (Cr O4)5) (H2 O)8 and K2 ((U O2)2 (Cr O4)3(H2 O)2) (H2 O)4","Zeitschrift fuer Kristallographie (149,1979-)","2003","218","","725","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104112","5.25","","8.709","","13.45","","90","","90","","90","","614.964","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Cs Cu S4 -","- Cs Cu S4 -","- Cs4 Cu4 S16 -","4","1","","Dorhout, P.K.; Raymond, C.C.; Miller, S.M.","Crystal structure of cesium copper(I) tetrasulfide, Cs Cu S4","Zeitschrift fuer Kristallographie (149,1979-)","1995","210","","776","776","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104272","10.244","","12.148","","4.34","","90","","90","","90","","540.087","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- As Br3 -","- As Br3 -","- As4 Br12 -","4","1","","Singh, A.K.; Swaminathan, S.","Refinement of the crystal structure of arsenic tribromide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1967","124","","375","377","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104285","4.33","","10.24","","12.2","","90","","90","","90","","540.938","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- As Br3 -","- As Br3 -","- As4 Br12 -","4","1","","Trotter, J.","The crystal structure of arsenic tribromide","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1965","122","","230","236","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104331","6.933","","9.923","","11.374","","90","","90","","90","","782.488","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pb (As O2) Cl","","- As Cl O2 Pb -","- As Cl O2 Pb -","- As8 Cl8 O16 Pb8 -","8","2","","Pertlik, F.","The single chain arsenites Pb(AsO2)Cl and Pb(AsO2)3Cl. Preparation and structure investigation","Zeitschrift fuer Kristallographie (149,1979-)","1988","184","","191","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104376","5.506","","12.449","","15.672","","90","","90","","90","","1074.22","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Na N H2 S O3","","- H2 N Na O3 S -","- H2 N Na O3 S -","- H24 N12 Na12 O36 S12 -","12","3","","Manickkavachagam, R.; Rajaram, R.K.","Crystal structure of anhydrous sodium sulphamate","Zeitschrift fuer Kristallographie (149,1979-)","1984","168","","179","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104423","13.988","","9.819","","8.714","","90","","90","","90","","1196.85","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Na4 As2 Te4","","- As2 Na4 Te4 -","- As2 Na4 Te4 -","- As8 Na16 Te16 -","4","1","","Eisenmann, B.; Zagler, R.","Crystal structure of tetrasodium tetratellurodiarsenate(II)","Zeitschrift fuer Kristallographie (149,1979-)","1991","197","","261","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","173837","2020-10-21","18:00:00",""
"8104524","25.92153","0.0002","15.6783","0.0001","6.74948","0.000048","90","","90","","90","","2743.03","0.03","300","","300","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Au(MAOx)(PPh3)]","[(2-Anthracenoxazolthiolato)(triphenylphosphine)gold(I)]","","- C33 H23 Au N O P S -","- C33 H23 Au N O P S -","- C132 H92 Au4 N4 O4 P4 S4 -","4","1","","Christoph Partes; Bodach, Alexander; Fink, Lothar","Syntheses and structures of two [Au(I)PPh3]-complexes with 2-aceneoxazolethiolates as ligands","Zeitschrift für Kristallographie","2016","231","12","709","714","","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01288","1.389","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"8104548","7.8016","0.0007","13.1609","0.001","30.536","0.002","90","","90","","90","","3135.3","0.4","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 F N O3 -","- C36 H52 F N O3 -","- C144 H208 F4 N4 O12 -","4","1","","Zhang, Mei; Meng, Qing-Guo; Hou, Gui-Ge; Jiang, Sheng; Jin, Yong-Sheng; Gao, Yue","Crystal structure of (8R,10R,14R, Z)-2-((3–Fluoropyridin-4-yl) methylene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6, 6-trimethyltetrahydro-2H-pyran-2-yl) hexadecahydro-3H-cyclopenta[a] phenanthren-3-one, C36H52FNO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1139","1142","10.1515/ncrs-2021-0248","","","0.71073","MoKα","","0.0962","0.0657","","","0.13","0.1435","","","","","","0.982","","","","has coordinates","272837","2022-02-07","12:41:58",""
"8104566","5.5523","0.0007","12.761","0.0017","15.374","0.002","90","","90","","90","","1089.3","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","methyl 4-acetoxy-3-methoxybenzoate","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Xiao, Pan-Lei; Song, Xiu-Ying; Yang, Chen-Yu; Nie, Xu-Liang; Wang, Yi-Hua","Crystal structure of methyl 4-acetoxy-3-methoxybenzoate, C11H12O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1203","1205","10.1515/ncrs-2021-0278","","","0.71073","MoKα","","0.0309","0.0273","","","0.0749","0.0787","","","","","","1.03","","","","has coordinates","273050","2022-02-21","09:33:59",""
"8104568","8.2912","0.0001","9.6221","0.0001","18.5616","0.0002","90","","90","","90","","1480.82","0.03","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Cl2 Sn -","- C14 H14 Cl2 Sn -","- C56 H56 Cl8 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R. T.","Crystal structure of dichlorido-bis(4-methylphenyl-κC 1)tin(IV), C14H14Cl2Sn","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1211","1213","10.1515/ncrs-2021-0281","","","1.54184","CuKα","","0.0143","0.0142","","","0.0346","0.0347","","","","","","1.035","","","","has coordinates","273052","2022-02-21","09:44:06",""
"8104587","9.0071","0.0018","9.4931","0.0019","13.642","0.003","90","","90","","90","","1166.5","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Ag Cl N2 -","- C12 H12 Ag Cl N2 -","- C48 H48 Ag4 Cl4 N8 -","4","1","","Fang, Jianghua; Hu, Minjie; Li, Ying; Xu, Weihong","The crystal structure of poly[μ2-chlorido-(μ2-1,2-bis(4-pyridyl)ethane-κ 2 N:N′silver(I)], C12H12AgClN2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1287","1289","10.1515/ncrs-2021-0307","","","0.71073","MoKα","","0.0163","0.016","","","0.0369","0.037","","","","","","1.1","","","","has coordinates","273091","2022-02-22","09:44:43",""
"8104593","10.638","0.0005","10.6639","0.0005","26.5443","0.0015","90","","90","","90","","3011.3","0.3","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Co N4 O5 -","- C36 H26 Co N4 O5 -","- C144 H104 Co4 N16 O20 -","4","1","","Tai, Xi-Shi; Wang, Zi-Jian; Ouyang, Jian; Li, Yun-Fei; Zhang, Wei; Jia, Wen-Lei; Wang, Li-Hua","The crystal structure of [(phenantroline-κ2 N,N′)-bis(6-phenylpyridine-2-carboxylate-κ2 N,O)cobalt(II)]monohydrate, C36H26N4O5Co","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","6","1309","1311","10.1515/ncrs-2021-0319","","x-ray","0.71073","MoKα","","0.0387","0.033","","","0.0652","0.0681","","","","","","1.044","","","","has coordinates","273097","2022-02-22","10:05:40",""
"8104641","7.651","0.0015","11.465","0.002","14.526","0.003","90","","90","","90","","1274.2","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Shi, Bei-Chen; Chen, Hao-Dong; Zhu, Xian-Dui; Zhang, Meng-Meng; Zhang, Zhi-Fei","Crystal structure of 6-oxo-4-phenyl-1-propyl-1,6-dihydropyridine-3-carbonitrile, C15H14N2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","977","978","10.1515/ncrs-2021-0178","","","0.71073","MoKα","","0.0589","0.0422","","","0.1078","0.1199","","","","","","1.006","","","","has coordinates","273342","2022-03-04","10:38:13",""
"8104674","5.788","0.002","11.079","0.004","18.916","0.007","90","","90","","90","","1213","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol","","- C12 H15 Cl O3 -","- C12 H15 Cl O3 -","- C48 H60 Cl4 O12 -","4","1","","Zou, Long-Sheng; Li, Zhong-Yan; Yuan, Lin","The crystal structure of (2-(4-chlorophenyl)-5-methyl-1,3-dioxan-5-yl)methanol, C12H15ClO3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1091","1092","10.1515/ncrs-2021-0230","","","0.71073","MoKα","","0.0693","0.0559","","","0.172","0.1898","","","","","","1.075","","","","has coordinates","273502","2022-03-07","10:16:28",""
"8104681","4.6321","0.0003","7.5132","0.0004","24.7605","0.0014","90","","90","","90","","861.71","0.09","193","2","193.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C28 H36 Cl4 N8 O8 -","4","1","","Song, Wenqi; Yang, Miaoxiu; Qian, Liwei; Miao, Zongcheng","The crystal structure of 3-(carboxymethyl)-1-ethenyl-1H-imidazol-3-ium chloride, C7H9N2O2Cl","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","5","1115","1116","10.1515/ncrs-2021-0242","","","1.34139","GaKα","","0.0268","0.0257","","","0.0648","0.0653","","","","","","1.048","","","","has coordinates","273524","2022-03-08","09:17:15",""
"8104695","9.7892","0.00012","12.71913","0.00014","20.9423","0.0003","90","","90","","90","","2607.53","0.06","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H32 N2 O2 -","- C32 H32 N2 O2 -","- C128 H128 N8 O8 -","4","1","","Xu, Zeng-Bing; He, Jing-Yuan; Shi, Da-Bin","Crystal structure of 6,6′-((1E, 1′E)-(((1R, 2R)-1,2-diphenylethane-1,2-diyl) bis(azanylylidene))bis(methanylylidene))bis(2-ethylphenol), C32H32N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","731","733","10.1515/ncrs-2021-0060","","x-ray","1.54184","CuKα","","0.0542","0.0535","","","0.1357","0.1365","","","","","","1.075","","","","has coordinates","273556","2022-03-09","09:14:29",""
"8104738","10.414","0.002","10.589","0.002","16.872","0.003","90","","90","","90","","1860.5","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Acetyl-3-thiophene-5-(9-anthryl)-2-pyrazoline","","- C23 H18 N2 O S -","- C23 H18 N2 O S -","- C92 H72 N8 O4 S4 -","4","1","","Usman, Rabia; Khan, Arshad; Refat, Moamen S.; He, Nongyue","Synthesis and crystal structure of the novel chiral acetyl-3-thiophene-5-(9-anthryl)-2-pyrazoline, C23H18N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","4","867","869","10.1515/ncrs-2021-0127","","","0.71073","MoKα","","0.0988","0.0588","","","0.1262","0.1464","","","","","","1.029","","","","has coordinates","273649","2022-03-11","09:45:10",""
"8104792","9.5079","0.0019","18.423","0.004","19.018","0.004","90","","90","","90","","3331.3","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","2","","Zhu, Chao; Wang, Wenxiang","The crystal structure of 1-((dimethylamino)(3-nitrophenyl)methyl)naphthalen-2-ol, C19H18N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","653","655","10.1515/ncrs-2021-0030","","","0.71073","MoKα","","0.1009","0.0555","","","0.1096","0.1275","","","","","","1.132","","","","has coordinates","273792","2022-03-18","08:42:27",""
"8104799","7.7862","0.0005","9.0728","0.0006","25.3797","0.0016","90","","90","","90","","1792.9","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 N S Si -","- C23 H17 N S Si -","- C92 H68 N4 S4 Si4 -","4","1","","Kong, Yuan-Fang; Mu, De-Long","Crystal structure of (R)-6-(benzo[b]thiophen-5-yl)-2-methyl-2,6-dihydrobenzo [5,6] silino[4,3,2-cd]indole, C23H17NSSi","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","679","681","10.1515/ncrs-2021-0039","","x-ray","0.71073","MoKα","","0.032","0.0301","","","0.0769","0.0778","","","","","","1.065","","","","has coordinates","273799","2022-03-18","09:54:26",""
"8104803","11.0576","0.0003","11.8406","0.0003","18.0061","0.0005","90","","90","","90","","2357.51","0.11","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N2 O S -","- C24 H34 N2 O S -","- C96 H136 N8 O4 S4 -","4","1","","Zhao, Benbo; Fu, Kai; Xun, Miao-Miao; Yuan, Changchun","Crystal structure of 1‐tert‐butyl‐3‐(2,6‐diisopropyl‐4‐phenoxyphenyl)‐2-methylisothiourea, C24H34N2OS","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","3","693","695","10.1515/ncrs-2021-0040","","","0.71073","MoKα","","0.0415","0.0334","","","0.0725","0.078","","","","","","1.06","","","","has coordinates","273803","2022-03-18","10:09:37",""
"8104812","6.0087","0.0003","10.1176","0.0006","14.3532","0.0007","90","","90","","90","","872.58","0.08","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-chloro-1-methylpiperidine hydrochloride","4-chloro-1-methylpiperidine hydrochloride","","- C6 H13 Cl2 N -","- C6 H13 Cl2 N -","- C24 H52 Cl8 N4 -","4","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","The crystal structure of 4-chloro-1-methylpiperidin-1-ium chloride, C6H13Cl2N","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","301","303","10.1515/ncrs-2020-0522","","","0.71073","MoKα","","0.0402","0.0304","","","0.0603","0.0632","","","","","","1.035","","","","has coordinates","273860","2022-03-21","08:40:52",""
"8104820","9.1258","0.0004","10.6225","0.0005","30.187","0.0014","90","","90","","90","","2926.3","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-bis(2-benzimidazyl)-1,2,-dihydroxyethane 3-(2-benzimidazyl)-2,3-dihydroxy-propane-<i>ortho</i>-amino-anilide co-crystallizate","1,2-bis(2-benzimidazyl)-1,2,-dihydroxyethane 3-(2-benzimidazyl)-2,3-dihydroxy-propane-<i>ortho</i>-amino-anilide co-crystallizate","","- C32 H30 N8 O5 -","- C32 H30 N8 O5 -","- C128 H120 N32 O20 -","4","1","","Clark, Candyce R.; Hosten, Eric C.; Betz, Richard","The crystal structure of 1,2-bis(1H-benzo[d]imidazol-2-yl)ethane-1,2-diol — N-(2-aminophenyl)-3-(1H-benzo[d]imidazol-2-yl)-2,3-dihydroxypropanamide (1/1), C32H30N8O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","325","327","10.1515/ncrs-2020-0529","","","0.71073","MoKα","","0.049","0.0367","","","0.0791","0.0837","","","","","","1.032","","","","has coordinates","273868","2022-03-21","09:22:48",""
"8104829","7.0417","0.0004","9.1635","0.0005","27.3371","0.0015","90","","90","","90","","1763.97","0.17","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dextromethorphan hydrobromide monohydrate","(9<i>S</i>,13<i>S</i>,14<i>S</i>)-3-methoxy-17-methylmorphinanium bromide monohydrate","","- C18 H28 Br N O2 -","- C18 H28 Br N O2 -","- C72 H112 Br4 N4 O8 -","4","1","","Muller, Kina; Hosten, Eric C.; Betz, Richard","Structure redetermination of dextromethorphan hydrobromide monohydrate, C18H28BrNO2 – localization of hydrogen atoms","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","353","355","10.1515/ncrs-2020-0528","","","0.71069","MoKα","","0.0366","0.0275","","","0.0574","0.0596","","","","","","1.003","","","","has coordinates","273892","2022-03-22","09:30:13",""
"8104833","4.6315","0.0001","9.4846","0.0003","39.7929","0.0011","90","","90","","90","","1748.02","0.08","149.99","0.1","149.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O8 -","- C19 H22 O8 -","- C76 H88 O32 -","4","1","","Tang, Qing; Li, Huan-Yong; Wu, Zhong-Nan; Yan, Ming; Zhang, Yu-Bo; Li, Yao-Lan; Wang, Guo-Cai","Crystal structure of (E)-resveratrol 3-O-β-D-xylopyranoside, C19H22O8","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","367","368","10.1515/ncrs-2020-0554","","x-ray","1.54184","CuKα","","0.0343","0.034","","","0.0889","0.0892","","","","","","1.073","","","","has coordinates","273916","2022-03-23","08:22:20",""
"8104848","8.8018","0.0001","10.9658","0.0001","16.9136","0.0001","90","","90","","90","","1632.48","0.03","100","2","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","trimethylsulfonium tris((trifluoromethyl)sulfonyl)methanide","","- C7 H9 F9 O6 S4 -","- C7 H9 F9 O6 S4 -","- C28 H36 F36 O24 S16 -","4","1","","Wirthensohn, Raphael; Finze, Maik","The crystal structure of trimethylsulfonium tris(trifluoromethylsulfonyl)methanide, C7H9F9O6S4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","417","419","10.1515/ncrs-2020-0612","","x-ray","1.54184","CuKα","","0.0222","0.0222","","","0.0604","0.0604","","","","","","1.085","","","","has coordinates","273931","2022-03-23","10:23:48",""
"8104855","4.7019","0.0006","6.47","0.0009","25.283","0.004","90","","90","","90","","769.14","0.19","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","<i>para</i>-nitrobenzylbromide","<i>para</i>-nitrobenzylbromide","","- C7 H6 Br N O2 -","- C7 H6 Br N O2 -","- C28 H24 Br4 N4 O8 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of para-nitrobenzylbromide, C7H6BrNO2 – A second polymorph and correction of 3D coordinates","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","2","443","445","10.1515/ncrs-2020-0564","","","0.71073","MoKα","","0.0382","0.0294","","","0.0649","0.0671","","","","","","0.996","","","","has coordinates","273969","2022-03-25","07:52:13",""
"8104867","8.17152","0.00014","17.6728","0.0003","23.1916","0.0005","90","","90","","90","","3349.18","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H58 O6.5 -","- C34 H56 O6 -","- C136 H224 O24 -","4","1","","Zhao, Ruo-Lin; Wang, Hui-Yun; Wang, Xiao-Hui; Luan, Ming-Zhu; Zhao, Feng-Lan; Meng, Qing-Guo","The crystal structure of (3S,12R,20R,24R)-3,12-diacetyl-20,24-epoxy-dammarane-3,12,25–triol–ethyl acetate (4/1), C34H56O6⋅ 0.25(C4H8O2)","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","7","9","10.1515/ncrs-2020-0462","","","1.54184","CuKα","","0.047","0.0416","","","0.1088","0.1143","","","","","","1.023","","","","has coordinates","273981","2022-03-25","08:38:43",""
"8104869","5.2759","0.0001","10.3482","0.0003","23.5372","0.0006","90","","90","","90","","1285.04","0.06","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","","Yan, Ming; Li, Huan-Yong; Luo, Ding; Chen, Si; Zhang, Yu-Bo; Li, Yao-Lan; Wang, Guo-Cai","Crystal structure of 10-oxysophoridine, C15H22N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","15","16","10.1515/ncrs-2020-0469","","x-ray","1.54184","CuKα","","0.0361","0.0338","","","0.0836","0.0852","","","","","","1.087","","","","has coordinates","273983","2022-03-25","08:46:27",""
"8104870","12.34133","0.00014","16.50759","0.00015","26.8804","0.0002","90","","90","","90","","5476.23","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C240 H384 O32 -","8","2","","Sun, Ke-wei; Wang, Hui-yun; Ma, Guang-qun; Luo, Qin; Wang, Yun-Hui; Meng, Qing-Guo","The crystal structure of (5R,8R,9R,10R,12R,13R,14R)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)tetradecahydro-3H-cyclopenta[a]phenanthrene-3,6(2H)-dione, C30H48O4","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","17","20","10.1515/ncrs-2020-0459","","x-ray","1.54184","CuKα","","0.0507","0.0422","","","0.0899","0.099","","","","","","1.065","","","","has coordinates","273984","2022-03-25","09:43:22",""
"8104876","11.6608","0.001","14.8098","0.0015","15.9975","0.0016","90","","90","","90","","2762.7","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O5 -","- C30 H48 O5 -","- C120 H192 O20 -","4","1","","Wang, Xiao-Hui; Wang, Hui-yun; Zhang, Sheng-Nan; Song, Jia; Liang, Lun-Hai; Zhao, Feng-Lan; Meng, Qing-Guo","The crystal structure of (8R,10R,12R,14R)- 12-hydroxy-16-(5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)- 4,4,8,10,14-pentamethyltetradecahydro-3H- cyclopenta[a]phenanthrene-3,6(2H)-dione, C30H48O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","39","42","10.1515/ncrs-2020-0453","","","1.54178","CuKα","","0.1265","0.0586","","","0.1201","0.158","","","","","","0.903","","","","has coordinates","273991","2022-03-25","10:05:57",""
"8104887","11.4608","0.0005","12.1489","0.0005","23.1684","0.0007","90","","90","","90","","3225.9","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 Cl N3 O7 -","- C36 H32 Cl N3 O7 -","- C144 H128 Cl4 N12 O28 -","4","1","","Li, Wu-Wu; Gu, Yuan-Zi; Cao, Lei","Synthesis and crystal structure of tert-butyl (2′R,3R,3′R,4a′R,9a′S)-1-acetyl-5-chloro-3″-methyl-2,5″,9′-trioxo-1″-phenyl-1″,4a′,5″,9a′-tetrahydro-1′H,3′H,9′H-dispiro[indoline-3,4′-xanthene-2′,4″-pyrazole]-3′-carboxylate, C36H32ClN3O7","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","77","80","10.1515/ncrs-2020-0408","","","1.54184","CuKα","","0.069","0.0588","","","0.1469","0.1546","","","","","","1.063","","","","has coordinates","274023","2022-03-28","07:34:03",""
"8104902","5.8085","0.0013","16.533","0.004","18.171","0.004","90","","90","","90","","1745","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-azido-<i>N</i>-phenylacetamide","","- C8 H8 N4 O -","- C8 H8 N4 O -","- C64 H64 N32 O8 -","8","2","","Guerrab, Walid; Missioui, Mohcine; Zaoui, Younes; Mague, Joel T.; Ramli, Youssef","Synthesis and crystal structure of 2-azido-N-phenylacetamide, C8H8N4O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","133","134","10.1515/ncrs-2020-0409","","","1.54178","CuKα","","0.0416","0.0399","","","0.1055","0.1078","","","","","","1.044","","","","has coordinates","274041","2022-03-28","09:30:24",""
"8104904","5.0604","0.0012","14.672","0.003","14.846","0.003","90","","90","","90","","1102.3","0.4","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","benzanthrone","benzanthrone","","- C17 H10 O -","- C17 H10 O -","- C68 H40 O4 -","4","1","","Manana, Pholani; Hosten, Eric C.; Betz, Richard","Crystal structure of benzanthrone – a redetermination for correct molecular geometry and localization of hydrogen atoms","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","139","141","10.1515/ncrs-2020-0389","","","0.71073","MoKα","","0.0709","0.0432","","","0.0923","0.1022","","","","","","1.017","","","","has coordinates","274058","2022-03-29","07:04:00",""
"8104914","4.9287","0.0005","10.1752","0.0008","10.9156","0.001","90","","90","","90","","547.42","0.09","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,6-difluorophenol","2,6-difluorophenol","","- C6 H4 F2 O -","- C6 H4 F2 O -","- C24 H16 F8 O4 -","4","1","","Manana, Pholani; Cuthbertson, Jarryd; Hosten, Eric C.; Betz, Richard","The crystal structure of 2,6-difluorophenol, C6H4F2O","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","177","178","10.1515/ncrs-2020-0432","","","0.71073","MoKα","","0.0264","0.0248","","","0.0688","0.0705","","","","","","1.094","","","","has coordinates","274068","2022-03-29","07:46:41",""
"8104920","5.6954","0.0003","10.0307","0.0006","20.4422","0.0014","90","","90","","90","","1167.84","0.12","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","butyrylferrocene","butyrylferrocene","","- C14 H16 Fe O -","- C14 H16 Fe O -","- C56 H64 Fe4 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","The crystal structure of butyrylferrocene, C14H16FeO","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","193","195","10.1515/ncrs-2020-0505","","","0.71073","MoKα","","0.0352","0.0267","","","0.0537","0.0559","","","","","","1.009","","","","has coordinates","274074","2022-03-29","08:17:14",""
"8104925","6.0044","0.0006","8.966","0.0011","18.0544","0.0018","90","","90","","90","","971.97","0.18","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","6-diazo-3,5-dichloro-2,4-dinitrocyclohexadiene-1-one","","- C6 Cl2 N4 O5 -","- C6 Cl2 N4 O5 -","- C24 Cl8 N16 O20 -","4","1","","Wang, Haifang","The crystal structure of 3,5-dichloro-6-diazo-2,4-dinitrocyclohexa-2,4-dien-1-one, C6Cl2N4O5","Zeitschrift für Kristallographie - New Crystal Structures","2021","236","1","213","214","10.1515/ncrs-2020-0491","","","0.71073","MoKα","","0.0911","0.0501","","","0.0826","0.0987","","","","","","1.115","","","","has coordinates","274079","2022-03-29","08:36:18",""
"8104970","8.7848","0.0009","9.8894","0.0011","18.802","0.0019","90","","90","","90","","1633.5","0.3","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 F6 N4 O P S2 -","- C10 H17.01 F6 N4 O P S2 -","- C40 H68.04 F24 N16 O4 P4 S8 -","4","1","","Eigner, Václav; Holakovský, Roman","Crystal structure of 2-(3-((carbamimidoylthio)methyl)benzyl)isothiouronium hexafluorophosphate monohydrate, C10H17F6N4OPS2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","93","95","10.1515/ncrs-2021-0418","","x-ray","1.5418","CuKα","","0.0364","0.0348","","","0.0929","0.0943","","","","1.62","1.62","1.59","","","","has coordinates","274164","2022-03-31","07:46:03",""
"8104978","9.2618","0.0002","12.4066","0.0002","27.2256","0.0005","90","","90","","90","","3128.42","0.1","173.2","0.1","173.2","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H49 N3 O6 S -","- C32 H49 N3 O6 S -","- C128 H196 N12 O24 S4 -","4","1","","Liu, Si-Jie; Fan, Yuan; Shang, Ruofeng","Crystal structure of 14-O-[(4-(4-hydroxypiperidine-1-yl)-6-methylpyrimidine-2-yl)thioacetyl]-mutilin monohydrate, C32H49N3O6S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","1","125","127","10.1515/ncrs-2021-0403","","x-ray","1.54184","CuKα","","0.058","0.0517","","","0.1293","0.1355","","","","","","1.04","","","","has coordinates","274172","2022-03-31","08:26:39",""
"8105017","7.401","0.003","12.005","0.005","13.808","0.005","90","","90","","90","","1226.8","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 Cl N2 O3 -","- C13 H9 Cl N2 O3 -","- C52 H36 Cl4 N8 O12 -","4","1","","Song, Wei; Yang, Yanju; Li, Jin","Crystal structure of (E)-3-chloro-2-(((4-nitrophenyl)imino)methyl)phenol, C13H9ClN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","61","62","10.1515/ncrs-2019-0476","","","0.71073","MoKα","","0.1071","0.0673","","","0.1375","0.1473","","","","","","1.024","","","","has coordinates","274319","2022-04-04","09:24:58",""
"8105037","6.71147","0.00014","16.6565","0.0004","25.0815","0.0006","90","","90","","90","","2803.85","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H52 O3 -","- C30 H52 O3 -","- C120 H208 O12 -","4","1","","Zhao, Ruo-Lin; Wang, Hui-Yun; Luan, Ming-Zhu; Zheng, Xia; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (3R,5R,8R,9R,10R,12R,13R,14R)-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol, C30H52O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","129","131","10.1515/ncrs-2019-0533","","x-ray","1.54184","CuKα","","0.047","0.0405","","","0.1027","0.1092","","","","","","1.037","","","","has coordinates","274349","2022-04-05","09:29:58",""
"8105049","6.3728","0.0006","14.3835","0.0014","20.453","0.002","90","","90","","90","","1874.8","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O10 -","- C20 H24 O10 -","- C80 H96 O40 -","4","1","","Li, Yu-Yan; Nie, Xu-Liang; Fu, Xiao-Xiang; Li, Bao-Tong; Peng, Wen-Wen","Crystal structure of 2-((2-(3-hydroxy-7-methylene-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl)propan-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol – a marmesin derivative, C20H24O10","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","171","173","10.1515/ncrs-2019-0561","","","0.71073","MoKα","","0.0292","0.0272","","","0.0551","0.0558","","","","","","1.038","","","","has coordinates","274384","2022-04-06","09:01:29",""
"8105307","7.0752","0.0001","7.5085","0.0001","29.3383","0.0005","90","","90","","90","","1558.57","0.04","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Nicotin-1,1'-diium tetrachloridozincate(II) monohydrate","3-((1<i>R</i>,2<i>S</i>)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridozincate(II) monohydrate","","- C10 H18 Cl4 N2 O Zn -","- C10 H18 Cl4 N2 O Zn -","- C40 H72 Cl16 N8 O4 Zn4 -","4","1","","Reiss, Guido J.; Sergeeva, Alena","The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridozincate(II) monohydrate, C10H18Cl4ZnN2O","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","851","854","10.1515/ncrs-2020-0054","","","0.71073","MoKα","","0.0352","0.033","","","0.066","0.0672","","","","","","1.04","","","","has coordinates","275548","2022-05-19","09:18:48",""
"8105341","5.5244","0.0003","11.0915","0.0006","16.0339","0.0012","90","","90","","90","","982.46","0.11","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>S</i>)-(+)-1-cyclohexylethylammoniumchloride","(<i>S</i>)-(+)-1-cyclohexylethan-1-aminiumchloride","","- C8 H18 Cl N -","- C8 H18 Cl N -","- C32 H72 Cl4 N4 -","4","1","","Scherer, Ann-Kathrin; Frank, Walter","Crystal structure of (S)-(+)-1-cyclohexylethylaminium chloride, C8H18NCl","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","4","951","953","10.1515/ncrs-2020-0121","","","0.71073","MoKα","","0.0296","0.0295","","","0.0784","0.0785","","","","","","1.186","","","","has coordinates","275857","2022-06-07","07:22:35",""
"8105388","14.4994","0.0016","19.799","0.002","20.04","0.002","90","","90","","90","","5753","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H44 Cl N5 Ni O7 -","- C23 H44 Cl N5 Ni O7 -","- C184 H352 Cl8 N40 Ni8 O56 -","8","2","","Ou, Guang-Chuan; Zhou, Qiang; Wang, Qiong","Crystal structure of (4-aminobenzoato-κ2 O,O′)-[5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4 N,N′,N′′,N′′′]nickel(II) perchlorate monohydrate, C23H44ClN5NiO7","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1095","1097","10.1515/ncrs-2020-0184","","","0.71073","MoKα","","0.0594","0.0409","","","0.0963","0.1061","","","","","","1.055","","","","has coordinates","275982","2022-06-13","07:32:17",""
"8105416","3.9894","0.0004","13.6128","0.0011","14.7495","0.0012","90","","90","","90","","801","0.12","150.03","","150.03","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H5 Br F N O3 -","- C6 H5 Br F N O3 -","- C24 H20 Br4 F4 N4 O12 -","4","1","","Cai, Bin; Meng, Yu-Ning; Zhu, Meng-En; Yao, Xi-Shuang; Chen, Gang","The crystal structure of 5-bromo-2-fluoronicotinic acid monohydrate, C6H5BrFNO3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1187","1188","10.1515/ncrs-2020-0241","","","0.71073","MoKα","","0.0248","0.0213","","","0.0459","0.0465","","","","","","1.05","","","","has coordinates","276027","2022-06-14","09:33:50",""
"8105420","26.784","0.01","8.837","0.003","12.759","0.004","90","","90","","90","","3019.9","1.8","100","2","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C128 H196 N4 O8 P4 Rh4 -","- C128 H196 N4 O8 P4 Rh4 -","- C128 H196 N4 O8 P4 Rh4 -","1","0.25","","Mokolokolo, Pennie P.; Alexander, Orbett T.; Schutte-Smith, Marietjie; Brink, Alice; Roodt, Andreas","Crystal structure of monocarbonyl[2-((cyclopentylmethylene)amino)-5-methylphenolato-κ2N,O] (tricyclohexylphosphine)rhodium(I), C32H48NO2PRh","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1199","1201","10.1515/ncrs-2020-0248","","","0.71073","MoKα","","0.0432","0.04","","","0.0906","0.092","","","","","","1.165","","","","has coordinates","276040","2022-06-15","06:55:27",""
"8105424","8.042","0.0005","11.7999","0.0006","30.1609","0.0017","90","","90","","90","","2862.1","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O3 -","- C32 H50 O3 -","- C128 H200 O12 -","4","1","","Latolla, Nehemiah; Hosten, Eric C.; Hlangothi, Buyiswa G.","The crystal structure of 4a-formyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-1-2-6a,6b,9,9,12a-heptamethylpicen-10-yl acetate, C32H50O3","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","5","1213","1215","10.1515/ncrs-2020-0259","","","0.71073","MoKα","","0.1027","0.0712","","","0.1817","0.2046","","","","","","1.075","","","","has coordinates","276044","2022-06-15","07:25:27",""
"8105501","6.7876","0.0002","8.8984","0.0002","22.3399","0.0006","90","","90","","90","","1349.3","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 N2 O4 -","- C13 H16 N2 O4 -","- C52 H64 N8 O16 -","4","1","","Caracelli, Ignez; Zukerman-Schpector, Julio; Rodrigues, Alessandro; Vinhato, Elisângela; Olivato, Paulo R.; Tiekink, Edward R.T.","Crystal structure of ethyl 4-methyl-2-oxo-5-phenyl-1,3,4-oxadiazinane-3-carboxylate, C13H16N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1485","1487","10.1515/ncrs-2020-0365","","","0.71073","MoKα","","0.0447","0.0384","","","0.0898","0.0947","","","","","","1.084","","","","has coordinates","276232","2022-06-24","07:47:06",""
"8105503","7.5992","0.0003","9.6634","0.0005","34.7499","0.0018","90","","90","","90","","2551.8","0.2","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 Cl N O5 -","- C24 H46 Cl N O5 -","- C96 H184 Cl4 N4 O20 -","4","1","","Ning, Xue-Jing; Yang, Xiao-Bin; Du, Jiang","Crystal structure of (1S)-N-(chloromethyl)-1-((4S,6aR,8aS, 8bR,9aR)-4-methoxy-6a,8a-dimethyl-1,3,4, 5,6,6a,6b,7,8,8a,9a,10,10a,10b-tetradecahydro-8bH-naphtho[2′,1′:4,5] indeno[1,2-b]oxiren-8b-yl)-N-methylethan-1-amine, C24H46ClNO5","Zeitschrift für Kristallographie - New Crystal Structures","2020","235","6","1493","1494","10.1515/ncrs-2020-0367","","","0.71073","MoKα","","0.0822","0.0554","","","0.1306","0.1479","","","","","","1.06","","","","has coordinates","276234","2022-06-24","07:53:13",""
"8105567","9.263","0.01","9.847","0.011","15.431","0.016","90","","90","","90","","1408","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N2 O4 -","- C14 H19 N2 O4 -","- C56 H76 N8 O16 -","4","1","","Yin, Mei; Jing, Lin-Lin; Li, Bo; Liu, Yu-Zhi; Gao, Peng; Wang, Hai-Bo","The crystal structure of 2-[4-hydroxy-3-methoxyphenyl]-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl, C14H19N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","137","138","10.1515/ncrs-2018-0228","","","0.71073","MoKα","","0.0892","0.0542","","","0.1132","0.1323","","","","","","1.089","","","","has coordinates","276398","2022-06-29","09:43:29",""
"8105570","7.871","0.0016","13.8","0.003","24.561","0.005","90","","90","","90","","2667.8","1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 O3 -","- C30 H48 O3 -","- C120 H192 O12 -","4","1","","Deng, Jian-Qiang; Mu, Xiao-Dong; Zhao, Ruo-Lin; Liu, Zhi; Tang, Hang-Jun; He, Meng; Meng, Qing-Guo","Crystal structure of (20R)-20,25-epoxy-dammaran-3,12-dione, C30H48O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","145","147","10.1515/ncrs-2018-0237","","","0.71073","MoKα","","0.0684","0.0488","","","0.1141","0.1264","","","","","","1.239","","","","has coordinates","276403","2022-06-29","09:53:24",""
"8105584","11.2301","0.0012","11.9074","0.0013","20.738","0.002","90","","90","","90","","2773.1","0.5","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 F N2 O9 S -","- C24 H27 F N2 O9 S -","- C96 H108 F4 N8 O36 S4 -","4","1","","Liu, Jin-Qiang; Ji, Li","Crystal structure of 4-(acetoxymethyl)-6-(3-acetyl-3-(4-fluorophenyl)thioureido)cyclohex-4-ene-1,2,3-triyl triacetate, C24H26FN2O9S","Zeitschrift für Kristallographie - New Crystal Structures","2018","234","1","189","190","10.1515/ncrs-2018-0326","","","0.71073","MoKα","","0.0539","0.0389","","","0.0934","0.1022","","","","","","1.032","","","","has coordinates","276439","2022-06-30","08:42:09",""
"8105605","6.1516","0.001","13.711","0.002","13.7392","0.0018","90","","90","","90","","1158.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 N2 O2 -","- C11 H16 N2 O2 -","- C44 H64 N8 O8 -","4","1","","Li, Linglan; Liu, Hui; Wu, Zhongjun; Miao, Junfeng; Zhang, Shu","Crystal structure of 2-(dimethylamino)ethyl 4-aminobenzoate, C11H16N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","245","246","10.1515/ncrs-2018-0284","","x-ray","0.71073","MoKα","","0.104","0.0657","","","0.168","0.194","","","","","","1.04","","","","has coordinates","276476","2022-07-01","07:28:39",""
"8105615","8.7252","0.0005","15.6732","0.0008","18.9746","0.0009","90","","90","","90","","2594.8","0.2","276","2","276","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 N3 O S -","- C31 H29 N3 O S -","- C124 H116 N12 O4 S4 -","4","1","","Zhang, Jun na; Liu, Peng; Wei, He","Crystal structure of 1-((R)-(2′-(dimethylamino)-[1,1′-binaphthalen]-2-yl))-3-((S)-2-hydroxy-1-phenylethyl)thiourea, C31H29N3OS","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","271","273","10.1515/ncrs-2018-0311","","","0.71073","MoKα","","0.215","0.0689","","","0.0903","0.1179","","","","","","0.996","","","","has coordinates","276513","2022-07-04","07:43:25",""
"8105619","10.0908","0.0001","18.5381","0.0002","19.7643","0.0002","90","","90","","90","","3697.19","0.07","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H31 Al Cl6 N2 -","- C39 H31 Al Cl6 N2 -","- C156 H124 Al4 Cl24 N8 -","4","1","","Zhong, Hailan; Peng, Ziyi; Lei, Hao","Crystal structure of trichloro-(4-chloro-2,6-bis(diphenylmethyl)-N-((pyridin-2-yl)methylene)aniline)-aluminum dichloromethane solvate, C39H31AlCl6N2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","285","287","10.1515/ncrs-2018-0332","","","1.54178","CuKα","","0.0529","0.0516","","","0.1421","0.143","","","","","","1.136","","","","has coordinates","276517","2022-07-04","07:57:08",""
"8105638","6.7397","0.0007","12.0404","0.0012","30.864","0.003","90","","90","","90","","2504.6","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H50 O -","- C30 H50 O -","- C120 H200 O4 -","4","1","","He, Kang; Fan, Lin-Lin; Wu, Tian-Tai; Xu, Hong; Zhang, Qi-Long; Zou, Juan","Crystal structure of (4S,4aS,6aR,6bR,12aS,12bR,14aS,14bR)-3,3,6a,6b,9,9,12a-heptamethyloctadecahydro-1H,3H-4,14b-ethanophenanthro[1,2-h]isochromene, C30H50O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","341","342","10.1515/ncrs-2018-0404","","","0.71073","MoKα","","0.0844","0.0555","","","0.1131","0.1234","","","","","","1.043","","","","has coordinates","276538","2022-07-04","09:38:00",""
"8105647","12.159","0.007","14.299","0.008","19.186","0.011","90","","90","","90","","3336","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Cl6 Cu4 N8 O -","- C20 H24 Cl6 Cu4 N8 O -","- C80 H96 Cl24 Cu16 N32 O4 -","4","1","","Li, Ting; Xing, Zheng","Crystal structure of hexa-μ2-chlorido-μ4-oxido-tetrakis(1-vinyl-1H-imidazole-κN)tetracopper(II), C20H24Cu4Cl6N8O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","2","363","365","10.1515/ncrs-2018-0421","","","0.71073","MoKα","","0.0579","0.0382","","","0.0569","0.0615","","","","","","1.034","","","","has coordinates","276556","2022-07-05","07:37:37",""
"8105654","12.6527","0.0016","16.395","0.002","20.606","0.003","90","","90","","90","","4274.5","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N24 O33 -","- C21 H30 N24 O33 -","- C84 H120 N96 O132 -","4","1","","Shen, Fanfan","The pseudosymmetric crystal structure of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane dimethyl carbonate (2/3), C21H30N24O33","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","387","389","10.1515/ncrs-2018-0141","","","0.71073","MoKα","","0.048","0.0367","","","0.0848","0.0907","","","","","","1.027","","","","has coordinates","288505","2023-12-22","15:12:04",""
"8105658","11.9922","0.0009","16.7099","0.0008","29.1262","0.0016","90","","90","","90","","5836.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 N2 O2 S -","- C31 H50 N2 O2 S -","- C248 H400 N16 O16 S8 -","8","2","","Wang, Jia-Zhen; Weng, Wei-Zhao; Ma, Ying; He, Xiu-Ting; Meng, Qing-Guo","Crystal structure of (1S,3aR,3bR,10aR,10bR,12aR)-8-amino-3a,3b,6,6,10a-pentamethyl-1-((S)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[2,3-d]thiazol-12-ol – a panaxadiol dervative, C31H50N2O2S","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","397","400","10.1515/ncrs-2018-0238","","","1.54178","CuKα","","0.1398","0.0654","","","0.0935","0.123","","","","","","0.965","","","","has coordinates","276725","2022-07-07","08:14:04",""
"8105660","5.2601","0.0003","12.7161","0.0006","22.0116","0.0011","90","","90","","90","","1472.31","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C68 H64 O24 -","4","1","","Cisterna, Jonathan; Bórquez, Jorge; Muñoz, Rubén; Simirgiotis, Mario; Cárdenas, Alejandro; Brito, Iván","Crystal structure of 5,4′-dihydroxy-7,3′-dimethoxyflavanone, C17H16O6","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","405","407","10.1515/ncrs-2018-0295","","","1.54178","CuKα","","0.065","0.043","","","0.0982","0.1089","","","","","","1.041","","","","has coordinates","276727","2022-07-07","08:23:07",""
"8105691","11.6524","0.001","11.9777","0.001","15.9058","0.0013","90","","90","","90","","2220","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 F2 N4 O2 -","- C23 H26 F2 N4 O2 -","- C92 H104 F8 N16 O8 -","4","1","","Zhong, Liang; Wang, Jiu-Long; Zhu, Shuang-Shi; Chen, Shang-Xing; Peng, Da-Yong","Crystal structure of 3-(difluoromethyl)-1-methyl-N-(4,11,11-trimethyl-1,2,3,4-tetrahydro-1,4-methanoacridin-9-yl)-1H-pyrazole-4-carboxamide monohydrate, C23H26F2N4O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","341","343","10.1515/ncrs-2022-0030","","","0.71073","MoKα","","0.0375","0.0305","","","0.0697","0.0751","","","","","","1.023","","","","has coordinates","277374","2022-08-24","08:23:23",""
"8105701","10.586","0.0009","10.6497","0.0006","26.4492","0.0015","90","","90","","90","","2981.8","0.3","200","0.1","200","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 N4 Ni O5 -","- C36 H26 N4 Ni O5 -","- C144 H104 N16 Ni4 O20 -","4","1","","Wang, Li-Hua; Tai, Xi-Shi; Ren, Xiu-Jie","The crystal structure of [(1,10-phenanthroline-κ2 N,N)-bis(6-phenylpyridine-2-carboxylate-κ2 N,O)nickel(II)] monohydrate, C36H26N4O5Ni","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","3","377","379","10.1515/ncrs-2022-0046","","x-ray","0.71073","MoKα","","0.0383","0.0341","","","0.0684","0.0703","","","","","","1.077","","","","has coordinates","277385","2022-08-24","09:31:09",""
"8105735","5.5648","0.0005","17.6062","0.0015","21.5033","0.0019","90","","90","","90","","2106.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 Cl N0 O2 -","- C25 H23 Cl O2 -","- C100 H92 Cl4 O8 -","4","1","","Zheng, Jun; Liu, Sen; Zhang, Yaru; Huang, Xianqiang","The crystal structure of 3-(4-chlorophenyl)-1,5-di-p-tolylpentane-1,5-dione, C25H23ClO2","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","505","507","10.1515/ncrs-2022-0110","","","0.71073","MoKα","","0.1249","0.0529","","","0.1127","0.1371","","","","","","0.889","","","","has coordinates","277538","2022-09-01","08:03:12",""
"8105738","5.7576","0.0002","7.7223","0.0004","41.671","0.0016","90","","90","","90","","1852.77","0.14","170","","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 O3 -","- C23 H24 O3 -","- C92 H96 O12 -","4","1","","Wang, Li-li; Xue, De-dong","Crystal structure of 3-phenylpropyl 2-(6-methoxynaphthalen-2-yl)propanoate, C23H24O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","517","519","10.1515/ncrs-2022-0114","","","0.71073","MoKα","","0.0726","0.0442","","","0.0882","0.1068","","","","","","1.074","","","","has coordinates","277541","2022-09-01","08:17:41",""
"8105746","11.355","0.005","15.084","0.007","20.078","0.009","90","","90","","90","","3439","3","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol","","- C44 H40 O8 -","- C44 H40 O8 -","- C176 H160 O32 -","4","1","","Liu, Mei-Feng; Zhang, Xing-Yu; Du, Yi-Mei; Chen, Yan","Crystal structure of 1-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol from Arundina graminifolia, C22H20O4","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","547","549","10.1515/ncrs-2021-0485","","","0.71073","MoKα","","0.0481","0.0382","","","0.092","0.0994","","","","","","1.036","","","","has coordinates","277583","2022-09-02","07:36:57",""
"8105766","7.5177","0.001","12.4761","0.0016","16.118","0.002","90","","90","","90","","1511.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","1","","Chen, Shi-Jun; Zhu, Hao; Zhang, Meng-Meng; Xu, Wen-Wu; Wang, Yu-Cai; Zhang, Zhi-Fei","Crystal structure of 1-benzyl-3-cyano-6-phenyl-1,2-dihydropyridine, C19H16N2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","519","520","10.1515/ncrs-2018-0516","","","0.71073","MoKα","","0.0528","0.0424","","","0.0917","0.0967","","","","","","1.077","","","","has coordinates","277803","2022-09-13","09:30:37",""
"8105777","6.53","0.002","11.728","0.004","35.236","0.012","90","","90","","90","","2698.5","1.5","220","","220","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 N2 O -","- C31 H48 N2 O -","- C124 H192 N8 O4 -","4","1","","Tan, Bo; Wu, Qi-Yun; Wu, Ji-Chun; Huo, Shao-Jie; He, Xi-Cheng; Du, Jiang","Crystal structure of N-((3R,10S,13S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylbenzamide, C31H48N2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","3","551","553","10.1515/ncrs-2018-0557","","","0.71073","MoKα","","0.0724","0.0492","","","0.0937","0.1034","","","","","","0.921","","","","has coordinates","277865","2022-09-15","08:24:38",""
"8105814","9.4097","0.0006","13.2837","0.0009","20.64","0.0014","90","","90","","90","","2579.9","0.3","293","2","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Bis(2-phenylpyridinato-C^2^,N)iridium(O,O'-diethyldithiophosphate)","","- C26 H26 Ir N2 O2 P S2 -","- C26 H26 Ir N2 O2 P S2 -","- C104 H104 Ir4 N8 O8 P4 S8 -","4","1","","Chen, Lianqing; Wu, Zhongda","Crystal structure of the phosphorescent complex diethyldithiophosphonato-κ2 S,S′-bis(2-phenylpyridinato-κ2 C,N)iridium(III), C26H26N2O2PS2Ir","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","669","671","10.1515/ncrs-2019-0020","","","0.71073","MoKα","","0.0249","0.0202","","","0.0457","0.0471","","","","","","0.975","","","","has coordinates","278028","2022-09-21","07:54:55",""
"8105841","7.7781","0.0009","9.7129","0.0015","19.158","0.002","90","","90","","90","","1447.3","0.3","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 Br3 N2 Pb -","- C8 H15 Br3 N2 Pb -","- C32 H60 Br12 N8 Pb4 -","4","1","","Zhang, Hui; Yu, Shan Shan","The crystal structure of 3-butyl-1-methyl-1H-imidazol-3-ium catena-poly[tris(μ2-bromido-κ 2 Br:Br)lead(II)], C8H15Br3N2Pb","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","757","759","10.1515/ncrs-2019-0093","","x-ray","0.71073","MoKα","","0.044","0.0376","","","0.0743","0.078","","","","","","1.045","","","","has coordinates","278084","2022-09-22","09:45:21",""
"8105848","11.8748","0.0012","13.3493","0.0013","16.4721","0.0017","90","","90","","90","","2611.2","0.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Cl4 Cu N4 O5 -","- C24 H24 Cl4 Cu N4 O5 -","- C96 H96 Cl16 Cu4 N16 O20 -","4","1","","Liu, Zhi-Min","The crystal structure of 2,6-bis(pyridin-1-ium-3-ylmethyl)hexahydro-4,8-ethenopyrrolo-[3,4-f] isoindole-1,3,5,7-tetrone tetrachloridocuprate(II) monohydrate, C24H24Cl4CuN4O5","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","779","781","10.1515/ncrs-2019-0102","","","0.71073","MoKα","","0.0474","0.0351","","","0.0815","0.0873","","","","","","1.001","","","","has coordinates","278113","2022-09-23","08:48:03",""
"8105850","5.3476","0.0001","14.4068","0.0002","22.3285","0.0004","90","","90","","90","","1720.23","0.05","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 Cl N4 O -","- C18 H26 Cl N4 O -","- C72 H104 Cl4 N16 O4 -","4","1","","Jing-Min, Ye; Hui-Qing, He; Xu-Hong, Jiang; Zhan-Mei, Liu; Xing-An, Cheng; Zhao-Chang, He","The crystal structure of a matrine derivative, 13-(4-Cl-pyrrole)-matrine, C18H26ClN4O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","785","786","10.1515/ncrs-2019-0105","","x-ray","1.54184","CuKα","","0.0372","0.035","","","0.0935","0.095","","","","","","1.082","","","","has coordinates","278115","2022-09-23","09:03:17",""
"8105855","9.7616","0.0001","16.7411","0.0002","18.6843","0.0002","90","","90","","90","","3053.39","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 N4 O6 S2 -","- C32 H34 N4 O6 S2 -","- C128 H136 N16 O24 S8 -","4","1","","Tan, Sang Loon; Tiekink, Edward R.T.","Crystal structure of 2-(4-ammoniocyclohexyl)-3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium 2-[(2-carboxylatophenyl)disulfanyl]benzoate dihydrate, [C18H22N4][C14H8O4S2] ⋅ 2H2O","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","4","797","799","10.1515/ncrs-2019-0120","","","1.54178","CuKα","","0.0292","0.0273","","","0.0665","0.0679","","","","","","1.015","","","","has coordinates","278120","2022-09-23","09:22:37",""
"8105919","10.8192","0.0012","16.4915","0.0017","28.832","0.003","90","","90","","90","","5144.3","0.9","293","2","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C60 H96 O4 -","- C60 H96 O4 -","- C240 H384 O16 -","4","1","","He, Kang; Fan, Lin-Lin; Wu, Tian-Tai; Zhang, Qi-Long; Zou, Juan","Crystal structure of (4S,4aS,6aR,6bR,12aS,12bR,14aS,14bR)-3,3,6a,6b,9,9,12a-heptamethyloctadecahydro-1H,3H-4,14b-ethanophenanthro[1,2-h]isochromene-1(6bH)-one, C30H48O2","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","5","1005","1007","10.1515/ncrs-2019-0217","","","0.71073","MoKα","","0.1174","0.0582","","","0.1","0.1169","","","","","","1.026","","","","has coordinates","278686","2022-10-21","07:11:30",""
"8105961","3.9935","0.0016","16.629","0.007","19.406","0.008","90","","90","","90","","1288.7","0.9","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 O3 -","- C16 H12 O3 -","- C64 H48 O12 -","4","1","","Pan, Jun; Jia, Guo-Kai; Liu, Fang; Chen, Xiao-Ming; Zhang, Xing-Yu","Crystal structure of 4-methoxyphenyl-3-phenylpropiolate, C16H12O3","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1147","1148","10.1515/ncrs-2019-0279","","","0.71073","MoKα","","0.0523","0.0387","","","0.0994","0.1084","","","","","","1.035","","","","has coordinates","278741","2022-10-24","09:13:30",""
"8106000","14.09","0.003","15.642","0.003","25.956","0.006","90","","90","","90","","5721","2","250","2","250","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 O4 -","- C32 H50 O4 -","- C256 H400 O32 -","8","2","","He, Kang; Wu, Tian-Tai; Shen, Lin-Yan; Fan, Lin-Lin; Ye, Jiang-Hai; Zou, Juan","Crystal structure of (4aR,6aR,6bR,10S,12aR)-10-acetoxy-1,2,3,4, 4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a, 12b,13,14b-icosahydro-2,2,4a,6b,9,9,12a-heptamethylpicene-6a-carboxylic acid, C32H50O4","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1261","1263","10.1515/ncrs-2019-0390","","","0.71076","MoKα","","0.0895","0.0679","","","0.1637","0.1764","","","","","","1.053","","","","has coordinates","279079","2022-11-08","08:40:34",""
"8106023","8.1234","0.0003","10.7966","0.0003","24.9785","0.0008","90","","90","","90","","2190.74","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 Cl2 N2 O3 Sn -","- C22 H20 Cl2 N2 O3 Sn -","- C88 H80 Cl8 N8 O12 Sn4 -","4","1","","Lo, Kong Mun; Lee, See Mun; Zaldi, Nordiyana Binti; Hussen, Rusnah Syahila Duali; Tiekink, Edward R.T.","Crystal structure of catena-{di-aqua-sodium [n-butyl(methyl)carbamothioyl]sulfanide}n, [C6H16NNaO2S2]n","Zeitschrift für Kristallographie - New Crystal Structures","2019","234","6","1333","1335","10.1515/ncrs-2019-0514","","","0.71073","MoKα","","0.0317","0.0271","","","0.0624","0.0645","","","","","","1.001","","","","has coordinates","279102","2022-11-08","10:38:32",""
"8106056","8.5017","0.0006","11.437","0.0007","22.2285","0.0012","90","","90","","90","","2161.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O5 Si -","- C21 H30 O5 Si -","- C84 H120 O20 Si4 -","4","1","","Wang, Kun-Yan; Wei, Pengfei; Yang, Xiao-Li","A derivative of the Corey lactone – crystal structure of (3aR,4S,5R,6aS)-4-(((tert-butyldimethylsilyl)oxy)methyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl benzoate, C21H30O5Si","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","1","91","92","10.1515/ncrs-2017-0184","","","0.71073","MoKα","","0.0802","0.0499","","","0.0879","0.0972","","","","","","1.031","","","","has coordinates","279196","2022-11-10","09:56:42",""
"8106098","8.1564","0.0016","16.937","0.003","24.686","0.005","90","","90","","90","","3410.2","1.1","153","2","153.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C152 H216 N8 O24 -","8","2","","Wang, Hui P.; Xu, Juan; Ning, Li F.; Li, Peng; Chen, Xiao F.","The crystal structure of the formamide solvate of (17b)-estra-1,3,5(10)-triene-3,17diol, C19H27NO3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","199","201","10.1515/ncrs-2017-0198","","","0.71073","MoKα","","0.0719","0.0651","","","0.1298","0.1345","","","","","","1.124","","","","has coordinates","279292","2022-11-15","10:06:49",""
"8106102","8.6321","0.0017","12.12","0.002","13.54","0.003","90","","90","","90","","1416.6","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","","Li-Hua, Wang; Qing-Yun, Liu; Xi-Shi, Tai","The crystal structure of N′-(2-nitrobenzylidene)-2-phenylacetohydrazide, C15H13N3O3","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","2","213","214","10.1515/ncrs-2017-0205","","","0.71073","MoKα","","0.0519","0.0453","","","0.1076","0.1141","","","","","","1.026","","","","has coordinates","279296","2022-11-15","10:18:19",""
"8106162","14.4634","0.0011","17.7866","0.0018","20.5509","0.0019","90","","90","","90","","5286.8","0.8","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H52 Ag2 N2 O6 P2 -","- C61 H52 Ag2 N2 O6 P2 -","- C244 H208 Ag8 N8 O24 P8 -","4","1","","Zhu, Ning; Ma, Yan; Liu, Jian-Ming; Li, Yue-Xue; Liu, Min; Xin, Xiu-Lan; Jin, Qiong-Hua","Crystal structure of catena-poly[aqua-(methanol-κO)-bis(μ2-4-(pyridin-4-yl)benzoato-κ2 N:O)-bis(triphenylphospine-κP)disilver(I)], C61H52Ag2N2O6P2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","391","393","10.1515/ncrs-2017-0284","","","0.71073","MoKα","","0.098","0.0424","","","0.0769","0.0997","","","","","","1.027","","","","has coordinates","279396","2022-11-18","10:19:54",""
"8106173","6.3761","0.0002","12.0521","0.0004","17.3288","0.0005","90","","90","","90","","1331.64","0.07","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Zhang, Mao-Yuan; Shi, Da-Bin","Crystal structure of methyl 4′-amino-3′,5′-dimethyl-[1,1′-biphenyl]-4-carboxylate, C16H17NO2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","431","433","10.1515/ncrs-2017-0329","","","1.54178","CuKα","","0.048","0.0462","","","0.1216","0.1243","","","","","","1.033","","","","has coordinates","279421","2022-11-21","08:16:34",""
"8106175","8.0343","0.0008","17.7992","0.0016","24.153","0.003","90","","90","","90","","3454","0.6","293","2","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>,12<i>R</i>,20<i>R</i>,24<i>S</i>)-3,12-diacetyl-20,24-epoxy- dammarane-3,12,25-triol","","- C34 H56 O6 -","- C34 H56 O6 -","- C136 H224 O24 -","4","1","","Hongzhang, Liu; Yingting, Wang","The crystal structure of (3S,12R,20R,24S)-3,12-diacetyl-20,24-epoxy-dammarane-3,12,25-triol acetone solvate, C34H56O6","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","437","439","10.1515/ncrs-2017-0331","","","1.54178","CuKα","","0.1396","0.0642","","","0.1182","0.1573","","","","","","0.882","","","","has coordinates","279423","2022-11-21","08:41:56",""
"8106187","8.0489","0.0004","10.6418","0.0005","24.485","0.001","90","","90","","90","","2097.26","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N Na O11 S -","- C21 H22 N Na O11 S -","- C84 H88 N4 Na4 O44 S4 -","4","1","","Chen, Hai-Lin; Pan, Li-Wei; Zhang, Hui-Ying; Yin, Xiu-Ju","Synthesis and crystal structure of poly[aqua{μ3-(1S,2S)-1-((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)pyrrolidin-1-ium-2-carboxylato-κ4 O,O′:O′′:O′′′}sodium(I)] monohydrate, C21H22NNaO11S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","3","469","471","10.1515/ncrs-2017-0360","","","1.54178","CuKα","","0.0821","0.0513","","","0.1143","0.135","","","","","","1.038","","","","has coordinates","279435","2022-11-21","10:05:32",""
"8106266","7.3832","0.0003","14.4702","0.0007","15.2806","0.0007","90","","90","","90","","1632.52","0.13","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N6 S -","- C17 H14 N6 S -","- C68 H56 N24 S4 -","4","1","","Aouad, Mohamed Reda; Messali, Mouslim; Rezki, Nadjet; Shivalingegowda, Naveen; Warad, Ismail","Crystal structure of 4-phenyl-3-((4-phenyl-1H-1,2,3-triazol-1-yl)methyl)-1H-1,2,4-triazole-5(4H)-thione, C17H14N6S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","697","698","10.1515/ncrs-2018-0025","","","1.54178","CuKα","","0.0359","0.0358","","","0.0944","0.0946","","","","","","1.075","","","","has coordinates","279587","2022-11-28","08:33:17",""
"8106269","6.1984","0.0002","14.394","0.0005","18.9651","0.0006","90","","90","","90","","1692.06","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Cl N O3 S -","- C17 H20 Cl N O3 S -","- C68 H80 Cl4 N4 O12 S4 -","4","1","","Zhao, Li-Xia; Wang, Qing-Rui; Zou, Yue-Li; Wu, Hao; Ye, Fei","Crystal structure of methyl (R)-4-(o-chlorobenzoyl)-1-thia-4-azaspiro[4.5]decane-3-carboxylate, C17H20ClNO3S","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","4","709","710","10.1515/ncrs-2018-0032","","","1.54178","CuKα","","0.027","0.0263","","","0.0676","0.0683","","","","","","1.006","","","","has coordinates","279590","2022-11-28","09:21:51",""
"8106301","7.9366","0.0011","10.2389","0.0015","26.313","0.004","90","","90","","90","","2138.2","0.5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Mn N4 O4 -","- C25 H18 Mn N4 O4 -","- C100 H72 Mn4 N16 O16 -","4","1","","Yan, Lingling; Yang, Peng; Zhi, Guanghui","Crystal structure of hexaaqua-{(E)-N′-(1-(pyrazin-2-yl)ethylidene)isonicotinohydrazide-κ3 N,N′,O}praseodym(III) trichloride monohydrate, C12H25Cl3N5O8Pr","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","803","804","10.1515/ncrs-2018-0007","","","0.71073","MoKα","","0.0613","0.0385","","","0.075","0.0832","","","","","","1.03","","","","has coordinates","279641","2022-11-30","08:28:49",""
"8106308","6.449","0.008","10.548","0.014","17.84","0.02","90","","90","","90","","1214","3","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-(3,4-dimethylphenyl)-1,8-naphthyridine","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Jia, Guo-Kai; Chen, Xiao-Ming; He, Fu-Lin; Chen, Xiu-Wen; Wang, Zong-Cheng","Crystal structure of 2-(3,4-dimethylphenyl)-1,8-naphthyridine, C16H14N2","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","819","820","10.1515/ncrs-2018-0031","","","0.71075","MoKα","","0.058","0.0406","","","0.0857","0.0933","","","","","","0.999","","","","has coordinates","279648","2022-11-30","09:27:16",""
"8106311","7.302","0.004","11.307","0.005","20.414","0.01","90","","90","","90","","1685.5","1.4","173","2","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Zou, Juan; Zhao, Chen-Liang; Ye, Jiang-Hai; He, Kang; Tang, Ren-Tao; Pan, Lu-Tai","Crystal structure of 7β,9β-dihydroxy-15-oxo-ent-kauran-16-en-19,6β-olide, C20H26O5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","825","826","10.1515/ncrs-2018-0037","","","0.71073","MoKα","","0.1036","0.067","","","0.1556","0.1748","","","","","","1.026","","","","has coordinates","279687","2022-12-05","09:41:33",""
"8106348","9.6178","0.0008","13.3335","0.0011","19.0758","0.0016","90","","90","","90","","2446.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N O5 -","- C26 H41 N O5 -","- C104 H164 N4 O20 -","4","1","","Liang, Yan; Fu, Yun-Xing; Liang, Jian-Ping","Crystal structure of (3aR,4R,5R,7R,8S,9R,9aS,12R)-7-ethyl-5-(1-hydroxy-2-((R)-3-hydroxypyrrolidin-1-yl)ethoxy)-4,7,9,12-tetramethyldecahydro-4,9a-propanocyclopenta[8]annulene-3,8-diol – a pleuromutilin derivative, C26H41NO5","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","923","925","10.1515/ncrs-2018-0107","","","0.71073","MoKα","","0.0472","0.0389","","","0.084","0.0888","","","","","","1.002","","","","has coordinates","279763","2022-12-07","08:26:09",""
"8106361","9.7453","0.0013","9.9023","0.0013","21.885","0.003","90","","90","","90","","2111.9","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 Br N O10 -","- C16 H22 Br N O10 -","- C64 H88 Br4 N4 O40 -","4","1","","Lin, Ping; Nie, Xu-Liang; Yin, Zhong-Ping; Li, Zhong-Chao; Liu, Jia; Shang-Guan, Xin-Chen; Peng, Da-Yong","Crystal structure of 6-(2-bromoacetamido)tetrahydro-2H-pyran-2,3,4,5-Tetrayl tetraacetate, C16H22BrNO10","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","5","955","957","10.1515/ncrs-2018-0158","","","0.71073","MoKα","","0.0473","0.0357","","","0.0911","0.0981","","","","","","1.017","","","","has coordinates","279776","2022-12-07","10:09:56",""
"8106384","4.3976","0.0006","10.8753","0.0014","19.678","0.003","90","","90","","90","","941.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Sheng, Liang-Quan","Crystal structure of 2-(4-(4H-1,2,4-triazol-4-yl)phenyl)acetic acid, C10H9N3O4","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1021","1022","10.1515/ncrs-2018-0145","","","0.71073","MoKα","","0.0519","0.0415","","","0.1005","0.1075","","","","","","1.03","","","","has coordinates","279859","2022-12-13","08:22:54",""
"8106397","6.3752","0.0016","12.607","0.003","26.943","0.007","90","","90","","90","","2165.5","0.9","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H41 N O -","- C24 H41 N O -","- C96 H164 N4 O4 -","4","1","","Huo, Shao-Jie; Wu, Ji-Chun; He, Xi-Chen; Wu, Qi-Yun; Du, Jiang","Crystal structure of 3β-methoxy-20α-dimethylamino-pregn-5-ene, C24H41NO","Zeitschrift für Kristallographie - New Crystal Structures","2018","233","6","1057","1058","10.1515/ncrs-2018-0168","","","0.71073","MoKα","","0.0987","0.0578","","","0.1063","0.1232","","","","","","0.958","","","","has coordinates","279900","2022-12-15","08:12:08",""
"8106415","6.2039","0.0003","13.1634","0.0008","22.8258","0.0012","90","","90","","90","","1864.06","0.17","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O5 -","- C22 H20 O5 -","- C88 H80 O20 -","4","1","","Brito, Iván; Simirgiotis, Mario; Muñoz, Rubén; Benites, Julio; Pasten, Leyla; Bórquez, Jorge; Cárdenas, Alejandro","Crystal structure of 11-(p-coumaroyloxy)-tremetone, C22H20O5","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","13","14","10.1515/ncrs-2016-0105","","","1.54178","CuKα","","0.1063","0.0532","","","0.0973","0.1169","","","","","","0.998","","","","has coordinates","280144","2023-01-06","08:12:05",""
"8106420","7.697","0.014","13.91","0.02","16.75","0.03","90","","90","","90","","1793","5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","","Zhao, Neng-Wu; Ye, Jiang-Hai; Zhao, Chen-Liang; Zhang, Jing-Jie; Pan, Lu-Tai","Crystal constructure of 16(S)-methyl-6α-carboxy-1, 15-dioxo-6, 7-seco-ent-kaur-2-en-7, 20-olide, C20H24O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","27","28","10.1515/ncrs-2016-0112","","","0.71073","MoKα","","0.0638","0.043","","","0.0958","0.1087","","","","","","1.028","","","","has coordinates","280149","2023-01-06","08:27:39",""
"8106422","7.5187","0.0003","8.0634","0.0003","17.532","0.0006","90","","90","","90","","1062.9","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 Br N2 S -","- C9 H11 Br N2 S -","- C36 H44 Br4 N8 S4 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Hayal Alotaibi, Mohammad; Kariuki, Benson M.","Crystal structure of 3-(2-bromophenyl)-1,1-dimethylthiourea, C9H11BrN2S","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","31","32","10.1515/ncrs-2016-0116","","","1.54184","CuKα","","0.023","0.0216","","","0.0524","0.0536","","","","","","1.04","","","","has coordinates","280151","2023-01-06","08:37:04",""
"8106426","9.7186","0.0012","13.4479","0.0016","13.6679","0.0017","90","","90","","90","","1786.3","0.4","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","orthorhombic","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","","Qiu, Rui-Xia; Li, Guo-Qiang; Chen, Hong-Ji; Wang, Lin; Wang, Chun-Hua","Crystal structure of methyl 2b-ethyl-1a,2a,2b,2b1,3,5,10,11-octahydro-1H-oxireno[2′,3′:6,7]indolizino[8,1-cd]carbazole-4-carboxylate, C21H24N2O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","43","45","10.1515/ncrs-2016-0129","","","0.71073","MoKα","","0.0393","0.0346","","","0.0895","0.0938","","","","","","1.044","","","","has coordinates","280220","2023-01-06","10:02:15",""
"8106447","5.9066","0.0002","15.7928","0.0003","21.7829","0.0006","90","","90","","90","","2031.95","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 Cl N2 O2 -","- C24 H25 Cl N2 O2 -","- C96 H100 Cl4 N8 O8 -","4","1","","Alshammari, Mohammed B.; Smith, Keith; Hegazy, Amany S.; Kariuki, Benson M.; El-Hiti, Gamal A.","Crystal structure of 3-(2-(4-chlorophenyl)-3-hydroxy-3,3-diphenylpropyl)-1,1-dimethylurea, C24H25ClN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","101","103","10.1515/ncrs-2016-0170","","","1.54184","CuKα","","0.0364","0.0319","","","0.0814","0.0838","","","","","","1.053","","","","has coordinates","280297","2023-01-12","10:09:43",""
"8106468","7.0057","0.0003","7.4317","0.0003","29.251","0.0013","90","","90","","90","","1522.93","0.11","110","0.1","110","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-((1<i>R</i>,2<i>S</i>)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridocobaltate(II) monohydrate","","- C10 H18 Cl4 Co N2 O -","- C10 H18 Cl4 Co N2 O -","- C40 H72 Cl16 Co4 N8 O4 -","4","1","","Reiss, Guido J.; Sergeeva, Alena","The crystal structure of 3-((1R,2S)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridocobaltate(II) monohydrate, C10H18Cl4CoN2O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","1","159","161","10.1515/ncrs-2016-0245","","x-ray","0.71073","MoKα","","0.038","0.0356","","","0.0725","0.0737","","","","","","1.005","","","","has coordinates","280334","2023-01-13","08:58:46",""
"8106481","5.6736","0.0002","7.7803","0.0004","28.7821","0.0013","90","","90","","90","","1270.51","0.1","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Smaail, Radi; Tighadouini, Said; Eddike, Driss; Tillard, Monique; Mabkhot, Yahia N.","Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy-3-phenylprop-2-en-1-one, C14H14N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","201","202","10.1515/ncrs-2016-0194","","","0.71073","MoKα","","0.0925","0.0454","","","0.076","0.0879","","","","","","0.965","","","","has coordinates","280376","2023-01-17","10:07:35",""
"8106494","6.0741","0.0004","14.9623","0.0008","16.2178","0.0009","90","","90","","90","","1473.91","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl2 N2 O2 -","- C16 H12 Cl2 N2 O2 -","- C64 H48 Cl8 N8 O8 -","4","1","","He, Jing","Crystal structure of 2-amino-4-(2,3-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C16H12Cl2N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","2","237","238","10.1515/ncrs-2016-0221","","","0.71073","MoKα","","0.0477","0.0376","","","0.0828","0.0918","","","","","","1.025","","","","has coordinates","280435","2023-01-19","08:44:36",""
"8106542","7.5352","0.0002","10.6639","0.0003","17.5406","0.0005","90","","90","","90","","1409.47","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Morales, Glauco; Paredes, Adrián; Brito, Iván; Cárdenas, Alejandro","Crystal structure of 1α,11-dihydroxyeremophil-9-en-8-one, C15H24O3","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","379","381","10.1515/ncrs-2016-0275","","","1.54178","CuKα","","0.0344","0.0315","","","0.0816","0.0838","","","","","","1.051","","","","has coordinates","280518","2023-01-23","08:50:18",""
"8106578","8.3007","0.0004","12.0111","0.0006","17.0604","0.0009","90","","90","","90","","1700.93","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","","Yousaf, Muhammad; Nur-e-Alam, Mohammad; Ghabbour, Hazem A.; Al-Oqai, Mai; Al-Rehaily, Adnan J.","Crystal structure of (16S)-12,16-epoxy-11,14-dihydroxy-17(15/16)-abeo-3a,18-cyclo-8,11,13-abietatrien-7-one, C20H24O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","483","484","10.1515/ncrs-2016-0330","","","1.54178","CuKα","","0.1126","0.0621","","","0.12","0.1413","","","","","","0.986","","","","has coordinates","280584","2023-01-25","08:54:20",""
"8106588","4.4804","0.0006","11.7784","0.0012","16.7613","0.0016","90","","90","","90","","884.53","0.17","120","2","120","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","1,2,3,4,5-pentamethyl-1,3-cyclopentadiene","","- C10 H16 -","- C10 H16 -","- C40 H64 -","4","1","","Benda, Christian; Klein, Wilhelm; Fässler, Thomas F.","Crystal structure of 1,2,3,4,5-pentamethyl-1,3-cyclopentadiene, C10H16","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","3","511","512","10.1515/ncrs-2016-0402","","","0.71073","MoKα","","0.1162","0.036","","","0.0523","0.0596","","","","","","0.674","","","","has coordinates","280595","2023-01-25","09:51:41",""
"8106606","8.44861","0.00004","17.00722","0.00009","20.1555","0.0001","90","","90","","90","","2896.09","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H41 N3 O2 -","- C33 H41 N3 O2 -","- C132 H164 N12 O8 -","4","1","","Xu, Juan; Li, Peng; Wang, Hui P.; Ning, Li F.","Crystal structure of 11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one – acetonitril (1/2), C33H41N3O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","573","575","10.1515/ncrs-2016-0344","","","1.54178","CuKα","","0.0355","0.0347","","","0.0924","0.0934","","","","","","1.046","","","","has coordinates,has disorder","280639","2023-01-27","10:26:15",""
"8106643","5.4922","0.0003","7.4024","0.0005","17.5083","0.001","90","","90","","90","","711.81","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(aminoiminomethyl)amino]ethylcarbamic acid, inner salt","","- C4 H10 N4 O2 -","- C4 H10 N4 O2 -","- C16 H40 N16 O8 -","4","1","","Matulková, Irena; Charvátová, Hana; Císařová, Ivana; Štěpnička, Petr","The crystal structure of the inner salt of 2-[(aminoiminomethyl)amino]ethylcarbamic acid [systematic name: (2-((diaminomethylene)ammonio)ethyl)carbamate], C4H10N4O2","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","4","685","687","10.1515/ncrs-2017-0003","","","0.71073","MoKα","","0.0522","0.0395","","","0.0873","0.0923","","","","","","1.037","","","","has coordinates","288183","2023-12-08","14:43:01",""
"8106664","7.9366","0.0011","10.2389","0.0015","26.313","0.004","90","","90","","90","","2138.2","0.5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H18 Mn N4 O4 -","- C25 H18 Mn N4 O4 -","- C100 H72 Mn4 N16 O16 -","4","1","","Yin, Wei-Dong; Li, Gui-Lian","Crystal structure of poly[μ4-(4-(carboxylatomethyl)benzoato-κ4 O:O′:O′′:O′′′)-(2-(4-(1H-imidazol-1-yl)phenyl)-1H-benzo[d]imidazole-κN)manganese(II)] [Mn(C9H6O4)(C16H12N4)]","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","749","751","10.1515/ncrs-2017-0007","","","0.71073","MoKα","","0.0613","0.0385","","","0.075","0.0832","","","","","","1.03","","","","has coordinates","280754","2023-02-02","09:12:41",""
"8106680","7.1591","0.0014","10.236","0.002","16.713","0.003","90","","90","","90","","1224.7","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O4 -","- C12 H18 N2 O4 -","- C48 H72 N8 O16 -","4","1","","Ye, Fei; Li, Juan-Juan; Xu, Zhao-Zheng; Fu, Ying","Crystal structure of 2-(8a-methyl-5-oxo-hexahydroimidazo [1,2-a]pyridin-1(5H)-yl)-2-oxoethyl acetate, C12H18N2O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","791","793","10.1515/ncrs-2017-0041","","","0.71073","MoKα","","0.036","0.0333","","","0.08","0.081","","","","","","1.121","","","","has coordinates","280779","2023-02-06","08:44:11",""
"8106685","7.475","0.003","12.246","0.005","24.615","0.011","90","","90","","90","","2253.2","1.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 Cd F4 N4 O6 -","- C20 H22 Cd F4 N4 O6 -","- C80 H88 Cd4 F16 N16 O24 -","4","1","","Hou-Qun, Yuan; Wen-Min, Wang; Chang-Gan, Huang; Wei, Xiao; Guang-Ming, Bao","Crystal structure of catena-poly[aqua-(μ 2-hexamethylenetetramine-κ 2 N:N′)-bis(2,6-difluorobenzoato-κ 2 O:O′)cadmium(II)]monohydrate, C20H22CdF4N4O6","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","807","809","10.1515/ncrs-2017-0053","","","0.71073","MoKα","","0.0266","0.0245","","","0.0621","0.0706","","","","","","1.214","","","","has coordinates","280784","2023-02-06","09:11:28",""
"8106693","9.5498","0.0014","13.4996","0.0018","17.428","0.003","90","","90","","90","","2246.8","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O3 P Rh -","- C24 H25 N O3 P Rh -","- C96 H100 N4 O12 P4 Rh4 -","4","1","","Elmakki, Mohammed A.; Alexander, Orbett T.; Venter, Gertruida J. S.; Venter, Johan A.","The crystal structure of carbonyl(2-oxopyridin-1(2H)-olato-κ 2 O,O′)-(diphenylcyclohexylphosphine-κ P)rhodium(I), C24H25NO3PRh","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","5","831","833","10.1515/ncrs-2017-0066","","","0.71073","MoKα","","0.0177","0.0163","","","0.037","0.0376","","","","","","1.047","","","","has coordinates","280792","2023-02-06","09:43:07",""
"8106715","7.6656","0.0005","16.6097","0.0011","20.9423","0.0014","90","","90","","90","","2666.4","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Carbonyl-[4-(2,4-dichlorophenylamino)pent-3-en-2-onato]-triphenylphosphine- rhodium(I)","","- C30 H25 Cl2 N O2 P Rh -","- C30 H25 Cl2 N O2 P Rh -","- C120 H100 Cl8 N4 O8 P4 Rh4 -","4","1","","Venter, Gertruida J.S.","The crystal structure of carbonyl-[4-(2,4-dichlorophenylamino)pent-3-en-2-onato-κ2 N,O]-(triphenylphosphine-κP)rhodium(I), RhC30H25Cl2NO2P","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","901","903","10.1515/ncrs-2017-0059","","x-ray","0.71073","MoKα","","0.0828","0.065","","","0.142","0.1632","","","","","","1.055","","","","has coordinates","280816","2023-02-08","09:48:11",""
"8106738","9.922","0.002","9.96","0.002","10.967","0.002","90","","90","","90","","1083.8","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","","Zhang, Yun-Peng; Li, Bing","The crystal structure of (S)-2-benzylsuccinic acid, C11H12O4","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","975","976","10.1515/ncrs-2017-0106","","","0.71073","MoKα","","0.0986","0.0505","","","0.1277","0.1861","","","","","","1.085","","","","has coordinates","280841","2023-02-09","09:50:04",""
"8106754","8.6213","0.0001","18.2577","0.0001","25.6873","0.0002","90","","90","","90","","4043.31","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N3 O2 -","- C23 H31 N3 O2 -","- C184 H248 N24 O16 -","8","2","","Xing-An, Cheng; Zhan-Mei, Liu; Wei-Xin, Liang; Bo, Wu; Xu-Hong, Jiang","The crystal structure of the Matrine derivative: 12-(1H-indol-1-yl)dodecahydro-1H,5H,10H-dipyrido[2,1-f:3′,2′,1′-ij][1,6]naphthyridin-10-one hydrate, C23H29N3O","Zeitschrift für Kristallographie - New Crystal Structures","2017","232","6","1017","1019","10.1515/ncrs-2017-0144","","","1.54178","CuKα","","0.0318","0.0305","","","0.0793","0.0807","","","","","","1.001","","","","has coordinates","280858","2023-02-13","08:28:11",""
"8106773","8.9287","0.0007","15.0252","0.0012","18.4531","0.0014","90","","90","","90","","2475.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 N O3 Sn -","- C27 H23 N O3 Sn -","- C108 H92 N4 O12 Sn4 -","4","1","","Wang, Qi-Bao; Ding, Rui-Fang; Sun, Shan-Shan; Ding, Lin","Crystal structure of catena-poly[(μ2-acetamido-benzoato-κ2 O:O′)triphenyltin(IV)], C27H23NO3Sn","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","21","23","10.1515/ncrs-2014-9058","","","0.71073","MoKα","","0.0368","0.0315","","","0.0823","0.0861","","","","","","1.025","","","","has coordinates","280878","2023-02-14","09:27:19",""
"8106813","8.977","0.002","11.751","0.003","14.224","0.004","90","","90","","90","","1500.5","0.7","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 Cd N2 O4 S -","- C16 H10 Cd N2 O4 S -","- C64 H40 Cd4 N8 O16 S4 -","4","1","","Yao, Li-Ping; Zhang, Li","Crystal structure of poly-[μ 2-4,4′-bipyridine-κ 2 N:N′−μ 3-thiophene-2,3-di-carboxylato-κ 4 O,O′, O′′:O′′′ -cadmium(II)]","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","161","163","10.1515/ncrs-2015-0067","","","0.71073","MoKα","","0.0206","0.0188","","","0.0431","0.0444","","","","","","1.04","","","","has coordinates,has disorder","281245","2023-03-02","08:51:19",""
"8106856","7.0418","0.0002","10.8802","0.0003","23.5506","0.0006","90","","90","","90","","1804.36","0.08","100.3","0.6","100.3","0.6","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 Cl N3 O S -","- C19 H22 Cl N3 O S -","- C76 H88 Cl4 N12 O4 S4 -","4","1","","Al-Alshaikh, Monirah A.; Ghabbour, Hazem A.; Al-Tamimi, Abdul-Malek S.; Abdelbaky, Mohammed S.M.; Garcia-Granda, Santiago; El-Emam, Ali A.","Crystal structure of 5-(adamantan-1-yl)-3-[(4-chloroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione, C19H22ClN3OS","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","301","303","10.1515/ncrs-2015-0151","","x-ray","1.54184","CuKα","","0.0416","0.0413","","","0.1106","0.111","","","","","","0.969","","","","has coordinates","281691","2023-03-07","09:09:03",""
"8106864","11.0768","0.0004","15.662","0.0005","16.683","0.0005","90","","90","","90","","2894.25","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 Cl2 F3 N5 O6 -","- C25 H30 Cl2 F3 N5 O6 -","- C100 H120 Cl8 F12 N20 O24 -","4","1","","Barakat, Assem; Ghabbour, Hazem A.; Al-Majid, Abdullah Mohammed; Quah, Ching-Kheng; Fun, Hoong-Kun","Crystal structure of 5,5′-((4-(trifluoromethyl)phenyl)methylene)bis(1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione) – diethylamine – dichloromethane (1/1/1) C25H32Cl2F3N5O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","1","321","323","10.1515/ncrs-2015-0170","","","0.71073","MoKα","","0.0615","0.0509","","","0.1406","0.1498","","","","","","1.035","","","","has coordinates,has disorder","281699","2023-03-07","10:09:53",""
"8106920","5.8499","0.0003","8.6822","0.0004","24.6389","0.0013","90","","90","","90","","1251.41","0.11","113.9","","113.9","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-(4-chlorophenoxy)-2-chlorophenyl)ethanone","","- C14 H10 Cl2 O2 -","- C14 H10 Cl2 O2 -","- C56 H40 Cl8 O8 -","4","1","","Lizhen, Chen; Jianlong, Wang","The crystal structure of 1-(4-(4-chlorophenoxy)-2-chlorophenyl)ethanone, C14H10Cl2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","497","498","10.1515/ncrs-2015-0159","","","0.7107","MoKα","","0.0388","0.0355","","","0.0743","0.0764","","","","","","1.058","","","","has coordinates","281812","2023-03-10","10:21:59",""
"8106945","7.542","0.0007","11.6929","0.0011","22.657","0.002","90","","90","","90","","1998.1","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 O3 -","- C21 H34 O3 -","- C84 H136 O12 -","4","1","","Brito, Iván; Bórquez, Jorge; Simirgiotis, Mario; Cárdenas, Alejandro; Molina-Salinas, Gloria M.; Jerz, Gerold; Peña-Rodriguez, Luis Manuel; Winterhalter, Peter","Crystal structure of methyl 8-hydroxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e]indene-3a(1H)-carboxylate, C21H34O3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","579","582","10.1515/ncrs-2015-0197","","","1.54178","CuKα","","0.04","0.0383","","","0.1069","0.1132","","","","","","1.067","","","","has coordinates","281996","2023-03-23","08:28:51",""
"8106968","7.9882","0.0002","11.4053","0.0003","16.2381","0.0005","90","","90","","90","","1479.42","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Mierina, Inese; Gudelis, Emilis; Stepanovs, Dmitrijs; Jure, Mara; Mishnev, Anatoly; Kolympadi, Maria; Marković, Dean","Crystal structure of 3-(4-hydroxy-3-methoxyphenyl)-N-phenylpropanamide, C16H17NO3","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","2","657","659","10.1515/ncrs-2015-0235","","","0.71073","MoKα","","0.079","0.048","","","0.0879","0.0991","","","","","","1.06","","","","has coordinates","282019","2023-03-23","10:24:31",""
"8106993","6.222","0.002","13.705","0.005","21.903","0.008","90","","90","","90","","1867.7","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","Zhao, Chen-Liang; Zhang, Jing-Jie; Zhang, Qi-Long; Pan, Lu-Tai","Crystal structure of 5,5,9,13-tetramethyltetracyclo[10·2·1·01,10·04,9]pentadecane-3,7,14-triol, C20H34O4","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","745","746","10.1515/ncrs-2015-0254","","","0.71073","MoKα","","0.1091","0.0627","","","0.1393","0.1736","","","","","","1.033","","","","has coordinates","282200","2023-04-03","07:32:49",""
"8107009","9.8678","0.0004","13.874","0.0006","14.7557","0.0006","90","","90","","90","","2020.14","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Br2 N3 Pd -","- C18 H25 Br2 N3 Pd -","- C72 H100 Br8 N12 Pd4 -","4","1","","Li, Guo-Xing","Crystal structure of (1-((1-benzylpyrrolidin-2-yl-κN)methyl)-3-isopropyl-1H-imidazol-2(3H)-ylidene–κC)dibromidopalladium(II), C18H25Br2N3Pd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","795","796","10.1515/ncrs-2015-0271","","","0.71073","MoKα","","0.0194","0.0182","","","0.0443","0.0445","","","","","","1.088","","","","has coordinates","282240","2023-04-04","09:04:11",""
"8107011","9.646","0.0018","13.883","0.003","14.52","0.003","90","","90","","90","","1944.5","0.7","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 Cl2 N3 Pd -","- C17 H23 Cl2 N3 Pd -","- C68 H92 Cl8 N12 Pd4 -","4","1","","Qian, Peng-Cheng","Crystal structure of ((1-((1-benzylpyrrolidin-2-yl)methyl)-3-ethyl-1H-imidazol-2(3H)-ylidene)-κ2 C,N)dichloridopalladium(II), C17H23Cl2N3Pd","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","799","800","10.1515/ncrs-2015-0273","","","0.71073","MoKα","","0.0381","0.0373","","","0.0911","0.0917","","","","","","1.168","","","","has coordinates,has disorder","282242","2023-04-04","09:25:24",""
"8107014","7.5411","0.0002","11.5148","0.0002","12.537","0.0002","90","","90","","90","","1088.64","0.04","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M.","Crystal structure of 3-tert-butyl-3-hydroxy-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one, C11H14N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","809","810","10.1515/ncrs-2015-0276","","","1.54184","CuKα","","0.0323","0.0301","","","0.081","0.0826","","","","","","1.036","","","","has coordinates","282252","2023-04-04","09:35:21",""
"8107026","10.392","0.0006","10.7709","0.0008","14.881","0.0011","90","","90","","90","","1665.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","","Barakat, Assem; Al-Majid, Abdullah Mohammed; Ali, M.; Ghabbour, Hazem A.; Al-Marashdah, M.S.; Siddiqui, Mohammed Rafiq","Crystal structure of 6-hydroxy-5-((2-hydroxy-6-oxocyclohex-1-en-1-yl)(phenyl)methyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione, C19H20N2O5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","849","851","10.1515/ncrs-2015-0290","","","0.71073","MoKα","","0.0941","0.0504","","","0.0934","0.1068","","","","","","1.053","","","","has coordinates","282380","2023-04-05","07:35:18",""
"8107039","5.979","0.004","16.735","0.012","20.323","0.015","90","","90","","90","","2033","2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O6 -","- C22 H30 O6 -","- C88 H120 O24 -","4","1","","Liu, Ya-Hua; Zhang, Jing-Jie; Ye, Jiang-Hai; Zhao, Chen-Liang; Pan, Lu-Tai","Crystal structure of 1α,7β-dihydroxy-11β-acetoxy-ent-7β,20-epoxykaur-16-en-15-one, C22H30O6","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","891","892","10.1515/ncrs-2015-0306","","","0.71073","MoKα","","0.0888","0.0498","","","0.1052","0.1209","","","","","","0.991","","","","has coordinates","282394","2023-04-05","08:47:11",""
"8107041","8.435","0.003","11.693","0.004","18.015","0.006","90","","90","","90","","1776.8","1.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Xin, Lai-Xiang; Zhang, Jing-Jie; Ye, Jiang-Hai; Zhao, Chen-Liang; Pan, Lu-Tai","Crystal structure of ent-1β,7α,11α-trihydroxy-7β,20-epoxykaur-16-en-15-one, C20H28O5","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","3","895","896","10.1515/ncrs-2015-0308","","","0.71073","MoKα","","0.0391","0.0364","","","0.0914","0.0933","","","","","","1.073","","","","has coordinates","282450","2023-04-06","06:40:02",""
"8107100","7.3227","0.0003","10.9955","0.0004","26.3709","0.0009","90","","90","","90","","2123.3","0.14","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C88 H112 N16 O16 -","8","2","","El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Masmali, Ali M.; Kariuki, Benson M.","Crystal structure of 3-tert-butyl-7-azadioxindole, C11H14N2O2","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1069","1070","10.1515/ncrs-2016-0054","","","1.54184","CuKα","","0.0452","0.0372","","","0.0851","0.0907","","","","","","1.056","","","","has coordinates","282768","2023-04-20","09:03:36",""
"8107140","5.4475","0.0003","12.2779","0.0007","18.0975","0.0011","90","","90","","90","","1210.43","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Amr, Abd El-Galil E.; Hafez, Naglaa A. Abdel; Ali, Korany A.; Al-Omar, Mohamed A.; Ghabbour, Hazem A.","Crystal structure of 1,4-dihydro-1-phenylchromeno[4,3-c]pyrazole, C16H12N2O","Zeitschrift für Kristallographie - New Crystal Structures","2016","231","4","1185","1187","10.1515/ncrs-2016-0126","","","0.71073","MoKα","","0.0351","0.0326","","","0.0836","0.0855","","","","","","1.075","","","","has coordinates","283613","2023-05-09","07:52:59",""
"8107167","6.7563","0.0009","7.2512","0.0012","25.884","0.003","90","","90","","90","","1268.1","0.3","170","","170","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 N8 O8 -","- C8 H6 N8 O8 -","- C32 H24 N32 O32 -","4","1","","Yong, Wang; Bingheng, Wu; Jun, Yuan; Duanlin, Cao; Jianlong, Wang; Lizhen, Chen","Crystal structure of 1,2-bis(4,5-dinitro-1H-imidazol-1-yl)ethane, C8H6N8O8","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","611","612","10.1515/ncrs-2022-0150","","","0.71073","MoKα","","0.071","0.0473","","","0.0984","0.117","","","","","","1.08","","","","has coordinates,has disorder","283650","2023-05-10","08:20:03",""
"8107170","8.6797","0.0003","9.8809","0.0003","24.7824","0.0008","90","","90","","90","","2125.42","0.12","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Cl N2 O3 -","- C22 H27 Cl N2 O3 -","- C88 H108 Cl4 N8 O12 -","4","1","","Zhang, Jingxiao; Gu, Miao; Bai, Xinyu","The crystal structure of (1S,3R)-1-(4-isopropylphenyl)-3-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-iumchloride monohydrate, C22H27ClN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","619","621","10.1515/ncrs-2022-0069","","","0.71073","MoKα","","0.0788","0.0478","","","0.093","0.1082","","","","","","1.087","","","","has coordinates","283653","2023-05-10","08:34:32",""
"8107192","10.7134","0.0007","10.7573","0.001","26.6304","0.0018","90","","90","","90","","3069.1","0.4","219.99","0.1","219.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Mn N4 O5 -","- C36 H26 Mn N4 O5 -","- C144 H104 Mn4 N16 O20 -","4","1","","Hua-Xiang, Zhang; Xi-Shi, Tai","The crystal structure of [(1,10-phenantroline-κ2 N,N′)-bis(6-phenylpyridine-2-carboxylato-κ2 N,O)manganese(II)] monohydrate, C36H26N4O5Mn","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","697","699","10.1515/ncrs-2022-0164","","x-ray","0.71073","MoKα","","0.0605","0.0454","","","0.082","0.089","","","","","","1.027","","","","has coordinates","283721","2023-05-12","08:58:59",""
"8107202","7.685","0.0001","10.803","0.0001","25.9262","0.0002","90","","90","","90","","2152.42","0.04","100","0.4","100","0.4","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N Na O12 S -","- C21 H22 N Na O12 S -","- C84 H88 N4 Na4 O48 S4 -","4","1","","Chen, Hai-Lin; Huang, Xiu-Xiang; Lan, Jian-Jing; Yao, Dong-Mei; Wang, Yan-Ping; Liu, Qiu-Ping","Synthesis and crystal structure of poly[aqua(μ4-(1R,2S,4R)-4-hydroxy-1-((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)pyrrolidin-1-ium-2-carboxylate-κ4 O:O′:O″:O‴)sodium(I)] monohydrate, C21H22NNaO12S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","4","733","735","10.1515/ncrs-2022-0208","","x-ray","1.54184","CuKα","","0.0311","0.0309","","","0.0817","0.0818","","","","","","1.072","","","","has coordinates,has disorder","283767","2023-05-15","08:15:57",""
"8107224","10.5248","0.0007","12.6248","0.0007","16.8913","0.0009","90","","90","","90","","2244.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((3<i>R</i>,10<i>S</i>,13<i>R</i>,17<i>S</i>)-10,13-dimethyl-3- (phenylamino)hexadecahydro-1<i>H</i>-cyclopenta [<i>α</i>] phenanthren-17-yl)ethan-1-one","","- C27 H39 N O -","- C27 H39 N O -","- C108 H156 N4 O4 -","4","1","","Zhang, Wen-Wen; Ye, Jiang-Hai; Zou, Juan; He, Kang","Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3- (phenylamino)hexadecahydro-1H-cyclopenta[α] phenanthren-17-yl)ethan-1-one, C27H39NO","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","815","817","10.1515/ncrs-2022-0266","","","0.71076","MoKα","","0.0763","0.0435","","","0.093","0.1033","","","","","","1.046","","","","has coordinates","283917","2023-05-22","07:21:51",""
"8107254","5.6068","0.0002","10.0191","0.0004","18.3799","0.0008","90","","90","","90","","1032.49","0.07","140","","140","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H5 N9 O6 -","- C5 H5 N9 O6 -","- C20 H20 N36 O24 -","4","1","","Huipeng, Zhao; Pengbao, Lian; Yumin, Yan; Lizhen, Chen; Jianlong, Wang","The crystal structure of 3-amino-1,2,4-triazolium 2,4,5-trinitroimidazolate, C5H5O6N9","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","5","927","928","10.1515/ncrs-2022-0321","","","0.71073","MoKα","","0.0423","0.034","","","0.0728","0.0776","","","","","","1.108","","","","has coordinates","283961","2023-05-23","08:51:34",""
"8107302","8.0778","0.0006","11.1909","0.001","14.3114","0.0012","90","","90","","90","","1293.72","0.19","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-iodophenyl)-4-phenyl-1H-1,2,3-triazole","","- C14 H10 I N3 -","- C14 H10 I N3 -","- C56 H40 I4 N12 -","4","1","","Caracelli, Ignez; Teixeira, Wystan K. O.; de Albuquerque, Danilo Yano; Schwab, Ricardo S.; Tiekink, Edward R. T.","The crystal structure of 1-(2-iodophenyl)-4-phenyl-1H-1,2,3-triazole, C14H10IN3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1093","1096","10.1515/ncrs-2022-0408","","","0.71073","MoKα","","0.0362","0.0312","","","0.0758","0.079","","","","","","1.041","","","","has coordinates","284393","2023-06-07","07:50:00",""
"8107316","5.8776","0.001","7.6503","0.0013","36.447","0.006","90","","90","","90","","1638.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Jin, Kun-Sheng; Wu, Wei-Na","Crystal structure of (E)-N-(4-morpholinophenyl)-1-(quinolin-2-yl)methanimine, C20H19N3O","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1137","1138","10.1515/ncrs-2022-0222","","","0.71073","MoKα","","0.0536","0.0374","","","0.0866","0.095","","","","","","1.026","","","","has coordinates","284408","2023-06-08","08:32:49",""
"8107323","10.801","0.002","13.24","0.003","15.545","0.003","90","","90","","90","","2223","0.8","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Fe2 N O10 S -","- C15 H15 Fe2 N O10 S -","- C60 H60 Fe8 N4 O40 S4 -","4","1","","Xia, Yu-Pei","Crystal structure of bis(tricarbonyl)-{(S)-(tert-butoxycarbonyl)(1-methoxy-1-oxo-3-sulfido-k2 S:S′-propan-2-yl)amido-k2N:N′}diiron(I) (Fe—Fe), C15H15Fe2NO10S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1161","1162","10.1515/ncrs-2022-0435","","","0.71073","MoKα","","0.0374","0.0321","","","0.0783","0.0814","","","","","","1.065","","","","has coordinates","284418","2023-06-09","06:27:16",""
"8107324","5.7516","0.0007","7.4097","0.0012","27.461","0.003","90","","90","","90","","1170.3","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Cl O2 S -","- C11 H11 Cl O2 S -","- C44 H44 Cl4 O8 S4 -","4","1","","Yuan, Fei; Guo, Ya-Fei; Ma, Jun-Ying; Guo, Ke-Wen; Xu, Zhi-Cong","Crystal structure of (E)-3-((4-chlorophenyl)thio)-4-hydroxypent-3-en-2-one, C11H11ClO2S","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1163","1165","10.1515/ncrs-2022-0465","","x-ray","0.71073","MoKα","","0.0825","0.0564","","","0.0877","0.099","","","","","","1.047","","","","has coordinates","284419","2023-06-09","06:30:48",""
"8107329","11.01","0.01","13.227","0.012","16.458","0.014","90","","90","","90","","2397","4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-butyl 2-(4-(12-bromo [2.2] Paracyclophanyl) carbamoyl) pyrrolidine-1-carboxylate","","- C26 H31 Br N2 O3 -","- C26 H31 Br N2 O3 -","- C104 H124 Br4 N8 O12 -","4","1","","Zhen, Chen; Yanwen, Sun; Yingying, Meng","The crystal structure of tert-butyl 2-(4-(12-bromo [2.2]paracyclophanyl)carbamoyl)pyrrolidine-1-carboxylate, C26H31BrN2O3","Zeitschrift für Kristallographie - New Crystal Structures","2022","237","6","1185","1187","10.1515/ncrs-2022-0458","","","0.71073","MoKα","","0.0713","0.0367","","","0.0695","0.0775","","","","","","1","","","","has coordinates,has disorder","284424","2023-06-09","06:52:46",""
"8107344","10.5758","0.001","12.3659","0.0009","18.0301","0.0016","90","","90","","90","","2358","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((3<i>R</i>,10<i>S</i>,13<i>R</i>,17<i>S</i>)-10,13-dimethyl-3- (<i>p</i>-tolylamino)hexadecahydro-1<i>H</i>-cyclopenta [<i>α</i>] phenanthren-17-yl)ethan-1-one","","- C28 H41 N O -","- C28 H41 N O -","- C112 H164 N4 O4 -","4","1","","Huang, Hua; Zhang, Wen-Wen; Ye, Jiang-Hai; Zou, Juan; He, Kang","Synthesis and crystal structure of 1-((3R,10S,13R,17S)-10,13-dimethyl-3-(p-tolylamino)hexadecahydro-1H-cyclopenta-[a]phenanthren-17-yl)ethan-1-one, C28H41NO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","31","33","10.1515/ncrs-2022-0455","","","0.71073","MoKα","","0.1331","0.0524","","","0.0967","0.122","","","","","","0.997","","","","has coordinates","284447","2023-06-12","07:47:40",""
"8107357","8.2437","0.0001","13.1867","0.0002","22.849","0.0004","90","","90","","90","","2483.85","0.06","169.99","0.1","169.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N O8 -","- C26 H41 N O8 -","- C104 H164 N4 O32 -","4","1","","Liu, Huan-Ni; Hao, Yi-Kun; Chen, Neng-Hua; Li, Lai-Ming","Crystal structure of 14-O-acetyldelcosine, C26H41NO8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","1","75","77","10.1515/ncrs-2022-0501","","x-ray","1.54184","CuKα","","0.0364","0.0357","","","0.0969","0.0975","","","","","","1.09","","","","has coordinates","284461","2023-06-13","08:01:00",""
"8107390","23.2297","0.0005","16.3509","0.0003","8.73","0.0002","90","","90","","90","","3315.89","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Cl2 O5 -","- C16 H14 Cl2 O5 -","- C128 H112 Cl16 O40 -","8","2","","Zhang, Meng; Bai, Yu-Bin","The crystal structure of (2R,6′R)-2′,7-dichloro-4,6-dimethoxy-6′-methyl-3H-spiro[benzofuran-2,1′-cyclohexan]-2′-ene-3,4′-dione, C16H14Cl2O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","185","187","10.1515/ncrs-2022-0538","","x-ray","1.54184","CuKα","","0.05","0.0472","","","0.1236","0.1268","","","","","","1.056","","","","has coordinates","284497","2023-06-20","07:26:05",""
"8107391","10.448","0.0005","12.4188","0.0006","18.3905","0.001","90","","90","","90","","2386.2","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-((3<i>R</i>,10<i>S</i>,13<i>R</i>,17<i>S</i>)-3- ((4-methoxyphenyl)amino)-10,13-dimethylhexadecahydro- 1<i>H</i>-cyclopenta[<i>α</i>]phenanthren-17-yl)ethan -1-one","","- C28 H41 N O2 -","- C28 H41 N O2 -","- C112 H164 N4 O8 -","4","1","","Zhang, Wen-Wen; Ye, Jiang-Hai; Huang, Hua; Zou, Juan; He, Kang","Synthesis and crystal structure of 1-((3R,10S,13R,17S)-3-((4-methoxyphenyl)amino)-10,13-dimethylhexadecahydro-1H-cyclopenta[α]-phenanthren-17-yl)ethan-1-one, C28H41NO2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","189","191","10.1515/ncrs-2022-0516","","","0.71073","MoKα","","0.1229","0.0608","","","0.1271","0.151","","","","","","1.01","","","","has coordinates","284498","2023-06-20","07:30:05",""
"8107393","22.6816","0.0012","7.3911","0.0003","15.6072","0.0008","90","","90","","90","","2616.4","0.2","273","2","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 O11 -","- C26 H44 O11 -","- C104 H176 O44 -","4","1","","Wang, Lei; Li, Guang-Jie; Ye, Jiang-Hai; He, Kang; Zou, Juan","Crystal structure of (−)-β-D-19-glucopiranosyl-9,15-dihydroxy kaurenoate, C26H40O9","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","197","199","10.1515/ncrs-2022-0551","","","0.71073","MoKα","","0.0549","0.0455","","","0.118","0.123","","","","","","1.055","","","","has coordinates","284500","2023-06-20","07:49:06",""
"8107419","11.3511","0.0007","12.135","0.0008","17.382","0.0011","90","","90","","90","","2394.3","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cr F6 N6 P -","- C22 H16 Cr F6 N6 P -","- C88 H64 Cr4 F24 N24 P4 -","4","1","","Zhuo, Linhai; Zhang, Jinjun","The crystal structure of cis-Dicyano-bis(2,2′-bipyridine)k2 N,N′-chromium(III) hexafluorophosphate, C22H16N6F6PCr","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","289","291","10.1515/ncrs-2022-0577","","","0.71073","MoKα","","0.053","0.0388","","","0.0925","0.1023","","","","","","0.974","","","","has coordinates","284529","2023-06-26","08:21:21",""
"8107426","6.5012","0.0003","15.3297","0.0007","26.8138","0.0014","90","","90","","90","","2672.3","0.2","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3a7<i>R</i>,13b<i>R</i>)-3-((1<i>R</i>)-1-hydroxy-1-(5-methyl-6- oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-3a,11,11,13b-tetramethyl-2,3, 3a,4,5,11,11a,12,13,13b-decahydroindeno[5',4':4,5] cyclohepta[1,2-<i>c</i>]oxepin-9(1<i>H</i>)-one","","- C30 H40 O5 -","- C30 H40 O5 -","- C120 H160 O20 -","4","1","","Ye, Jiang-Hai; Chen, Ren-Song; Xu, Chuan-Yan; Zou, Juan; Zhang, Jing-Jie","Crystal structure of (3a7R,13bR)-3-((1R)-1-hydroxy-1-(5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-3a,11,11,13b-tetramethyl-2,3,3a,4,5,11,11a,12,13,13b-decahydroindeno[5′,4′:4,5] cyclohepta[1,2-c]oxepin-9(1H)-one, C30H40O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","313","315","10.1515/ncrs-2022-0564","","","0.71073","MoKα","","0.0881","0.0537","","","0.1201","0.1355","","","","","","1.014","","","","has coordinates","284751","2023-07-03","07:18:08",""
"8107431","5.2364","0.0008","10.025","0.0014","59.689","0.009","90","","90","","90","","3133.4","0.8","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 F2 N6 O9 S -","- C30 H36 F2 N6 O9 S -","- C120 H144 F8 N24 O36 S4 -","4","1","","Xia, Ying-Fan; Lu, Rong-Bin; Sun, Wei-Jie; Lin, Shu-Ting; Zhang, Jia-Rong; Jiang, Cheng-Jun","The crystal structure of 3,4-dihydroxybenzoic acid – 3-[7-{[2-(3,4-difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3] triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)cyclopentane-1,2-diol – water (1/1/1), C30H36F2N6O9S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","331","333","10.1515/ncrs-2022-0572","","","1.34139","GaKα","","0.0399","0.0384","","","0.0963","0.0969","","","","","","1.043","","","","has coordinates,has disorder","284820","2023-07-05","06:49:27",""
"8107437","11.4194","0.0005","13.4657","0.0006","14.7549","0.0007","90","","90","","90","","2268.86","0.18","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,2,3,5,13-pentamethoxy-6,7-dimethyl-1,2,3,4, 4a,5,6,7,8,13b-decahydrobenzo[3',4'] cycloocta[1',2':4,5]benzo[1,2-<i>d</i>][1,3]dioxole","","- C24 H30 O7 -","- C24 H30 O7 -","- C96 H120 O28 -","4","1","","Chen, Ren-Song; Ye, Jiang-Hai; Luo, Yu-Ling; Xu, Chuan-Yan; Zou, Juan; Zhang, Jing-Jie","Crystal structure of 1,2,3,5,13-pentamethoxy-6,7-dimethyl-1,2,3,4,4a,5,6,7,8,13b-decahydrobenzo[3′,4′]cycloocta[1′,2′:4,5]benzo[1,2-d][1,3]dioxole, C24H30O7","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","349","351","10.1515/ncrs-2022-0580","","","0.71073","MoKα","","0.1295","0.0535","","","0.1014","0.1239","","","","","","1.006","","","","has coordinates","285034","2023-07-06","08:09:41",""
"8107441","7.6087","0.0004","9.6681","0.0004","18.66","0.0009","90","","90","","90","","1372.66","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(2-(4-methoxyphenyl)-2H-indazol-3-yl)acetonitrile, C16H13N3O1? C~16~H~13~N~3~O~1~","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Cui, Beibei; Mi, Xia; Zhang, Jingyu","Crystal structure of 2-(2-(4-methoxyphenyl)-2H-indazol-3-yl)acetonitrile, C16H13N3O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","361","362","10.1515/ncrs-2023-0025","","x-ray","1.54184","CuKα","","0.0515","0.042","","","0.1005","0.1093","","","","","","1.047","","","","has coordinates","285107","2023-07-10","07:20:09",""
"8107453","7.7152","0.0003","10.6132","0.0002","25.599","0.0007","90","","90","","90","","2096.12","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N4 O3 S -","- C20 H30 N4 O3 S -","- C80 H120 N16 O12 S4 -","4","1","","Al-Sanea, Mohammad M.; Abdelbaky, Mohammed S. M.; Garcia-Granda, Santiago; Mohamed, Ahmed A. B.; Tiekink, Edward R. T.; El-Emam, Ali A.","Crystal structure of ethyl 4-{[5-(adamantan-1-yl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]methyl}piperazine-1-carboxylate, C20H30N4O3S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","2","403","405","10.1515/ncrs-2022-0536","","x-ray","1.54184","CuKα","","0.1288","0.0579","","","0.0911","0.1216","","","","","","0.996","","","","has coordinates","285119","2023-07-10","09:09:04",""
"8107458","8.36","0.0004","12.0085","0.0008","14.3665","0.0006","90","","90","","90","","1442.27","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Cl3 N2 O -","- C14 H11 Cl3 N2 O -","- C56 H44 Cl12 N8 O4 -","4","1","","Li, Yingju; Yang, Zhimao","The crystal structure of 1-(2-chlorobenzyl)-3-(3,5-dichlorophenyl)urea, C14H11Cl3N2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","421","423","10.1515/ncrs-2022-0549","","","0.71073","MoKα","","0.0597","0.046","","","0.0865","0.0944","","","","","","1.035","","","","has coordinates","285141","2023-07-11","07:14:05",""
"8107482","7.5455","0.0015","12.735","0.003","18.333","0.004","90","","90","","90","","1761.7","0.7","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","7<i>α</i>,11<i>α</i>-dihydroxy-15-oxo-ent-kauran- 16-en-19,6<i>β</i>-olide","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Zhang, Lu; Yuan, Hang; Ye, Jiang-Hai; He, Kang; Lai, Chun-Hua; Zou, Juan","Crystal structure of 7α,11α-dihydroxy-15-oxo-ent-kauran-16-en-19,6β-olide, C20H26O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","513","515","10.1515/ncrs-2023-0061","","","0.71073","MoKα","","0.0904","0.0529","","","0.1228","0.1407","","","","","","1.033","","","","has coordinates","285241","2023-07-17","08:41:57",""
"8107491","8.9579","0.0003","12.2172","0.0004","12.5669","0.0005","90","","90","","90","","1375.33","0.08","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl N2 O -","- C14 H19 Cl N2 O -","- C56 H76 Cl4 N8 O4 -","4","1","","Li, Yuanci; Feng, Zhiqiang; Tong, Hongjuan","The crystal structure of 1-(2-chlorophenyl)-3-cycloheptylurea, C14H19ClN2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","3","547","549","10.1515/ncrs-2023-0080","","","0.71073","MoKα","","0.0713","0.0541","","","0.1338","0.1449","","","","","","1.043","","","","has coordinates","285978","2023-09-04","07:56:29",""
"8107539","3.9566","0.0001","12.2859","0.0003","24.5014","0.0006","90","","90","","90","","1191.02","0.05","302","2","302","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Tetracene-5,12-dione","Tetracene-5,12-dione","","- C18 H10 O2 -","- C18 H10 O2 -","- C72 H40 O8 -","4","1","","Zheng, Xiaoxin; Jiang, Jinke; Liu, Yang","Crystal structure of tetracene-5,12-dione, C18H10O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","717","718","10.1515/ncrs-2023-0166","","","1.54178","CuKα","","0.085","0.0609","","","0.1391","0.166","","","","","","1.08","","","","has coordinates","286508","2023-09-25","09:03:32",""
"8107542","6.8619","0.0002","12.0735","0.0004","16.6591","0.0005","90","","90","","90","","1380.16","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N2 O4 S -","- C13 H18 N2 O4 S -","- C52 H72 N8 O16 S4 -","4","1","","Wang, Zhen; Zhao, Feng-Lan; Hou, Gui-Ge; Meng, Qing-Guo","Crystal structure of methyl ((4-aminobenzyl)sulfonyl)-L-prolinate, C13H18N2O4S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","725","727","10.1515/ncrs-2023-0173","","","1.54178","CuKα","","0.0245","0.0236","","","0.0599","0.0604","","","","","","1.039","","","","has coordinates","286521","2023-09-26","06:40:34",""
"8107545","11.1838","0.0003","11.7824","0.0003","16.316","0.0005","90","","90","","90","","2149.99","0.1","293","0.1","293","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O5 -","- C23 H34 O5 -","- C92 H136 O20 -","4","1","","Li, Shi-Qing; Zhou, Jian; Dong, Zhang-Chao; Pan, Bo Wen; Shi, Yang; Zhou, Ying","Synthesis and crystal structure of (S,E)-4-hydroxy-3-(2-((4aR,6aS,7R,10aS,10bR)-3,3,6a,10b-tetramethyl-8-methylenedecahydro-1H-naphtho[2,1-d][1,3]dioxin-7-yl)ethylidene)dihydrofuran-2(3H)-one, C23H34O5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","735","737","10.1515/ncrs-2023-0179","","x-ray","1.54184","CuKα","","0.0493","0.0399","","","0.1052","0.1097","","","","","","1.055","","","","has coordinates","286524","2023-09-26","06:48:09",""
"8107563","11.849","0.002","14.373","0.003","17.183","0.003","90","","90","","90","","2926.4","0.9","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-benzhydrylideneamino-12-(4- tert-butyl oxazolin-2-yl)[2.2]paracyclophane","","- C36 H36 N2 O -","- C36 H36 N2 O -","- C144 H144 N8 O4 -","4","1","","Chen, Zhen; Sun, Yanwen; Chen, Chao; Xu, Nuo; Wang, Xiaozhong; Li, Sijun","The crystal structure of (S, R p )-4–benzhydrylideneamino-12-(4-tert-butyl oxazolin-2-yl)[2.2]paracyclophane, C36H36N2O","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","791","793","10.1515/ncrs-2023-0212","","","1.54178","CuKα","","0.086","0.0514","","","0.1094","0.1272","","","","","","1.005","","","","has coordinates","286574","2023-09-28","07:31:04",""
"8107582","6.9928","0.0006","8.9764","0.0008","21.216","0.002","90","","90","","90","","1331.7","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 F3 N O -","- C16 H12 F3 N O -","- C64 H48 F12 N4 O4 -","4","1","","Pu, Xuewei; Meng, Fanjie; Zhang, Shaoliang","The crystal structure of [1-(4-(trifluoromethyl)phenyl)-3,4-dihydroquinolin-2(1H)-one], C16H12F3NO","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","857","859","10.1515/ncrs-2023-0240","","","0.71073","MoKα","","0.08","0.0583","","","0.1474","0.1552","","","","","","1.044","","","","has coordinates,has disorder","286673","2023-10-05","08:21:43",""
"8107584","5.907","0.0003","9.2731","0.0007","17.5641","0.0014","90","","90","","90","","962.09","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-(4-bromophenyl)-3-methyl-1H-pyrazole","","- C10 H9 Br N2 -","- C10 H9 Br N2 -","- C40 H36 Br4 N8 -","4","1","","Kočović, David; Mugoša, Snežana; Shova, Sergiu; Tomić, Zoran D.; Jaćimović, Željko K.","Crystal structure of 3-(4-bromophenyl)-5-methyl-1H-pyrazole, C10H9BrN2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","863","865","10.1515/ncrs-2023-0242","","x-ray","0.71073","MoKα","","0.1036","0.0504","","","0.0798","0.0947","","","","","","1.001","","","","has coordinates","286675","2023-10-05","08:51:24",""
"8107606","6.3277","0.0003","11.9665","0.0007","32.2419","0.0019","90","","90","","90","","2441.4","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3<i>E</i>,5<i>S</i>,10<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>Z</i>)-17 -ethylidene-10,13-dimethylhexadecahydro-3<i>H</i>-cyclopenta[<i>α</i>] phenanthren-3-one <i>O</i>-(4-fluorobenzoyl) oxime","","- C28 H36 F N O2 -","- C28 H36 F N O2 -","- C112 H144 F4 N4 O8 -","4","1","","Yue, Lan; Wei, Peng; Ye, Jiang-Hei; He, Kang; Zou, Juan","Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α] phenanthren-3-one O-(4-fluorobenzoyl) oxime, C28H36FNO2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","941","943","10.1515/ncrs-2023-0290","","","0.71073","MoKα","","0.0851","0.0537","","","0.1264","0.1403","","","","","","1.03","","","","has coordinates","286908","2023-10-11","08:34:12",""
"8107613","17.175","0.0007","19.1188","0.0007","19.4359","0.0008","90","","90","","90","","6382.1","0.4","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H94 B2 Ge N8 -","- C63 H94 B2 Ge N8 -","- C252 H376 B8 Ge4 N32 -","4","1","","Wang, Bing; Hu, Yi-Fei; Wu, Di","Crystal structure of 1,3-diisopropyl-4,5-dimethylimidazol-2-ylidene-N,N′-bis(1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-1,3,2-diazaborol-2-yl)-l 2-germenediamine, C63H94B2GeN8","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","965","968","10.1515/ncrs-2023-0300","","","1.34138","GaKα","","0.0824","0.0539","","","0.1356","0.1483","","","","","","1.051","","","","has coordinates,has disorder","286916","2023-10-12","08:12:32",""
"8107623","6.2578","0.0002","15.4188","0.0005","17.6841","0.0007","90","","90","","90","","1706.3","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N7 O9 -","- C11 H19 N7 O9 -","- C44 H76 N28 O36 -","4","1","","Guannan, Zhao; Tong, Zhang; Jun, Chen; Hongxia, Pan; LiZhen, Chen; Jianlong, Wang","The crystal structure of the co-crystal 1,4-dioxane–4,6-bis(nitroimino)-1,3,5-triazinan-2-one(2/1), C11H19N7O9","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","5","1001","1003","10.1515/ncrs-2023-0320","","","0.71073","MoKα","","0.0637","0.0428","","","0.088","0.0972","","","","","","1.054","","","","has coordinates","286926","2023-10-12","08:46:57",""
"8107658","5.1481","0.0004","8.9342","0.0007","25.733","0.002","90","","90","","90","","1183.57","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 Li N O5 -","- C12 H14 Li N O5 -","- C48 H56 Li4 N4 O20 -","4","1","","Yin, Dejing; Wang, Lingling; Yuan, Zhenbo","Crystal structure of poly[(μ-benzoato)-(μ-cis-4–hydroxy-D-proline)lithium], C12H14LiNO5","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1055","1056","10.1515/ncrs-2023-0289","","","1.54178","Cukα","","0.0648","0.0539","","","0.1364","0.1478","","","","","","1.066","","","","has coordinates","287731","2023-11-22","10:00:32",""
"8107681","7.6139","0.0007","12.489","0.0013","13.9382","0.0013","90","","90","","90","","1325.4","0.2","296.15","","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 N4 O4 Zn -","- C12 H10 N4 O4 Zn -","- C48 H40 N16 O16 Zn4 -","4","1","","Liu, Fang-Fang; Ping, Zhao-Yan; Zhou, Wei-Wei; Zhao, Wang","The crystal structure of poly[bis(μ 2−3−aminopyridine−4−carboxylato−κ 2 N:O)Zinc(II)], [Zn(C6H5N2O2)2] n","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1131","1132","10.1515/ncrs-2023-0358","","","0.71073","MoKα","","0.0583","0.0391","","","0.0659","0.071","","","","","","0.983","","","","has coordinates","287801","2023-11-27","08:15:04",""
"8107703","7.2516","0.0006","11.378","0.0009","17.1177","0.0013","90","","90","","90","","1412.36","0.19","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 F N2 O2 -","- C16 H15 F N2 O2 -","- C64 H60 F4 N8 O8 -","4","1","","Wen, Juanjuan; Liu, Langlang; Tang, Wenqiang; Liu, Bin","The crystal structure of (E)-4-fluoro-N′-(1-(4-hydroxyphenyl)propylidene)benzohydrazide, C16H15FN2O2","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1205","1207","10.1515/ncrs-2023-0404","","x-ray","0.71073","MoKα","","0.0687","0.0498","","","0.1098","0.1201","","","","","","1.081","","","","has coordinates","287965","2023-12-04","09:00:20",""
"8107705","5.6392","0.0002","7.793","0.0003","28.2476","0.0008","90","","90","","90","","1241.38","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H10 Br N S -","- C14 H10 Br N S -","- C56 H40 Br4 N4 S4 -","4","1","","Wang, Ning; Guo, Ya-Fei; Ma, Jun-Ying; Liu, Ming-Ming; Qu, Yu-Long","Crystal structure of 3-((4-bromophenyl)thio)-1H-indole, C14H10BrNS","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1211","1213","10.1515/ncrs-2023-0409","","x-ray","1.54184","CuKα","","0.047","0.0414","","","0.1017","0.1079","","","","","","1.054","","","","has coordinates","287968","2023-12-04","09:21:28",""
"8107712","7.8101","0.0005","13.1592","0.0007","30.5721","0.0015","90","","90","","90","","3142","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H52 F N O3 -","- C36 H52 F N O3 -","- C144 H208 F4 N4 O12 -","4","1","","Liu, Zi-Yu; Wang, Wen-Shui; Jiang, Sheng; Zhao, Feng-Lan; Meng, Qing-Guo","Crystal structure of (5R,8R,9R,10R,12R,13R,14R, 17S,17Z)-2-((3-fluoropyridin-4-yl)methylene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one, C36H52FNO3","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","6","1237","1239","10.1515/ncrs-2023-0429","","","0.71073","MoKα","","0.065","0.0488","","","0.0958","0.1048","","","","","","1.033","","","","has coordinates","287976","2023-12-04","09:48:08",""
"8107715","4.0853","0.0002","9.6025","0.0004","21.989","0.001","90","","90","","90","","862.61","0.07","","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","p-bromophenacyl bromide","","","- C8 H6 Br2 O -","- C8 H6 Br2 O -","- C32 H24 Br8 O4 -","4","1","","Hosten, Eric C.; Betz, Richard","Redetermination of the crystal structure of p-bromophenacyl bromide at 200 K – Localization of hydrogen atoms, C8H6Br2O","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","2","59","60","10.1515/ncrs-2014-9027","","x-ray","0.71073","MoKα","","","0.0208","","","0.0492","","","","","","","","","","","has coordinates","288116","2023-12-07","09:04:36",""
"8107717","4.501","0.002","16.229","0.008","24.2","0.01","90","","90","","90","","1767.7","1.4","","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-bromo-4-(2-bromo-ethyl)-5-(4-chloro-phenyl)-2-p- tolyl-furan","","","- C19 H15 Br2 Cl O -","- C19 H15 Br2 Cl O -","- C76 H60 Br8 Cl4 O4 -","4","1","","Li, Shi-Hui; Zhao, Yan; Zhang, Meng-Yin","Crystal structure of 3-bromo-4-(2-bromo-ethyl)-5-(4-chloro-phenyl)-2-ptolyl- furan, C19H15Br2ClO","Zeitschrift für Kristallographie - New Crystal Structures","2015","230","2","63","64","10.1515/ncrs-2014-9050","","x-ray","0.71073","MoKα","","","0.035","","","0.0637","","","","","","","","","","","has coordinates","288213","2023-12-11","09:41:03",""
"9000041","8.21","","18.42","","5.4","","90","","90","","90","","816.632","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 Br N2 O4 -","- C4 Br N2 O4 -","- C16 Br4 N8 O16 -","4","1","","Barney, E.","The structure of diglycine hydrobromide","American Mineralogist","1947","32","","685","685","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000249","18.29","","5.75","","9.31","","90","","90","","90","","979.109","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Arsenoclasite","- As2 H4 Mn5 O12 -","- As2 H4 Mn5 O12 -","- As8 H16 Mn20 O48 -","4","1","","Moore, P. B.; Molin-Case J","Crystal chemistry of the basic manganese arsenates: V. Mixed manganese coordination in the atomic arrangement of arsenoclasite","American Mineralogist","1971","56","","1539","1552","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000252","4.333","","7.062","","7.764","","90","","90","","90","","237.576","","","","","","","","","","","","","2","P 21 21 21","","","","","Naumannite","- Ag2 Se -","- Ag2 Se -","- Ag8 Se4 -","4","1","","Wiegers, G. A.","The crystal structure of the low-temperature form of silver selenide","American Mineralogist","1971","56","","1882","1888","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000514","7.055","","8.542","","5.683","","90","","90","","90","","342.479","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Vuagnatite","- Al Ca H O5 Si -","- Al Ca H O5 Si -","- Al4 Ca4 H4 O20 Si4 -","4","1","","McNear, E.; Vincent, M. G.; Parthe, E.","The crystal structure of vuagnatite, CaAl(OH)SiO4","American Mineralogist","1976","61","","831","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9001490","6.674","","9.161","","7.398","","90","","90","","90","","452.318","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Chalcomenite","- Cu H4 O5 Se -","- Cu H4 O5 Se -","- Cu4 H16 O20 Se4 -","4","1","","Robinson, P. D.; Sen Gupta, P. K.; Swihart, G. H.; Houk, L.","Crystal structure, H positions, and the Se lone pair of synthetic chalcomenite, Cu(H2O)2[SeO3]","American Mineralogist","1992","77","","834","838","","","","","","","","","","","","","","","","","","","","","","has coordinates","284020","2023-05-26","06:36:20",""
"9001875","5.837","","7.211","","8.693","","90","","90","","90","","365.894","","","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Mozartite","- Ca H Mn O5 Si -","- Ca H Mn O5 Si -","- Ca4 H4 Mn4 O20 Si4 -","4","1","","Nyfeler, D.; Hoffmann, C.; Armbruster, T.; Kunz, M.; Libowitzky, E.","Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A single-crystal X-ray, FTIR, and structure modeling study Sample: at T = 100 K","American Mineralogist","1997","82","","841","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001876","5.842","","7.228","","8.704","","90","","90","","90","","367.535","","","","300","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Mozartite","- Ca H Mn O5 Si -","- Ca H Mn O5 Si -","- Ca4 H4 Mn4 O20 Si4 -","4","1","","Nyfeler, D.; Hoffmann, C.; Armbruster, T.; Kunz, M.; Libowitzky, E.","Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A single-crystal X-ray, FTIR, and structure modeling study Sample: at T = 300 K","American Mineralogist","1997","82","","841","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001877","5.846","","7.248","","8.726","","90","","90","","90","","369.736","","","","500","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Mozartite","- Ca H Mn O5 Si -","- Ca H Mn O5 Si -","- Ca4 H4 Mn4 O20 Si4 -","4","1","","Nyfeler, D.; Hoffmann, C.; Armbruster, T.; Kunz, M.; Libowitzky, E.","Orthorhombic Jahn-Teller distortion and Si-OH in mozartite, CaMnO[SiO3OH]: A single-crystal X-ray, FTIR, and structure modeling study Sample: at T = 500 K","American Mineralogist","1997","82","","841","848","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002232","11.2706","","7.1055","","20.807","","90","","90","","90","","1666.29","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Wyartite","- C H15 Ca O19 U3 -","- C H15 Ca O19 U3 -","- C4 H60 Ca4 O76 U12 -","4","1","","Burns, P. C.; Finch, R. J.","Wyartite: Crystallographic evidence for the first pentavalent-uranium mineral","American Mineralogist","1999","84","","1456","1460","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:35",""
"9004061","7.4","","5.84","","9.21","","90","","90","","90","","398.019","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Conichalcite","- As Ca Cu H O5 -","- As Ca Cu H O5 -","- As4 Ca4 Cu4 H4 O20 -","4","1","","Qurashi, M. M.; Barnes, W. H.","The structures of the minerals of the descloizite and adelite groups: IV - descloizite and conichalcite (part 2) The structure of conichalcite","The Canadian Mineralogist","1963","7","","561","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004063","7.6","","6.07","","9.44","","90","","90","","90","","435.486","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Descloizite","- H O5 Pb V Zn -","- H O5 Pb V Zn -","- H4 O20 Pb4 V4 Zn4 -","4","1","","Qurashi, M. M.; Barnes, W. H.","The structures of the minerals of the descloizite and adelite groups: V - descloizite and conichalcite (part 3). The structure of descloizite","The Canadian Mineralogist","1964","8","","23","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004190","7.455","","8.955","","5.916","","90","","90","","90","","394.949","","","","","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","Nickelaustinite","- As Ca Co0.04 Cu0.01 H Mg0.06 Ni0.67 O5 Zn0.22 -","- As Ca Co0.04 Cu0.01 H Mg0.06 Ni0.67 O5 Zn0.22 -","- As4 Ca4 Co0.16 Cu0.04 H4 Mg0.24 Ni2.68 O20 Zn0.88 -","4","1","","Cesbron, F. P.; Ginderow, D.; Giraud, R.; Pelisson, P.; Pillard, F.","La nickelaustinite Ca(Ni,Zn)(AsO4)(OH): Nouvelle espece minerale du district cobalto-nickelifere de Bou-Azzer, Maroc Note: signs changed on y-coordinates of O1 and O2","The Canadian Mineralogist","1987","25","","401","407","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004202","7.401","","7.412","","9.99","","90","","90","","90","","548.014","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","Leucophanite","- Be Ca F Na O6 Si2 -","- Be Ca F Na O6 Si2 -","- Be4 Ca4 F4 Na4 O24 Si8 -","4","1","","Grice, J. D.; Hawthorne, F. C.","Refinement of the crystal structure of leucophanite","The Canadian Mineralogist","1989","27","","193","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004266","5.838","","7.224","","8.69","","90","","90","","90","","366.49","","","","","","","","","","","","Cerchiara Mine, Northern Apennines, Italy","5","P 21 21 21","P 2ac 2ab","19","","","Mozartite","- Al0.06 Ca Mn0.94 O5 Si -","- Al0.06 Ca Mn0.94 O5 Si -","- Al0.24 Ca4 Mn3.76 O20 Si4 -","4","1","","Basso, R.; Lucchetti, G.; Zefiro, L.; Palenzona, A.","Mozartite, CaMn(OH)SiO4, a new mineral species from the Cerchiara Mine, Northern Apennines, Italy","The Canadian Mineralogist","1993","31","","331","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004667","9.748","","10.133","","11.954","","90","","90","","90","","1180.77","","","","293","","","","","","","","Ilimaussaq alkaline complex, South Greenland","5","P 21 21 21","P 2ac 2ab","19","","","Nabesite","- Be H8 Na2 O14 Si4 -","- Be H8 Na2 O14 Si4 -","- Be4 H32 Na8 O56 Si16 -","4","1","","Petersen, O. V.; Giester, G.; Brandstatter, F.; Niedermayr, G.","Nabesite, Na2BeSi4O10.4H2O, a new mineral species from the Ilimaussaq alkaline complex, South Greenland Sample: T = 293 K Locality: Ilimaussaq alkaline complex, South Greenland","The Canadian Mineralogist","2002","40","","173","181","10.2113/gscanmin.40.1.173","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9004670","7.2298","","11.324","","12.0134","","90","","90","","90","","983.54","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Mo2 Na2 O10 U -","- Mo2 Na2 O10 U -","- Mo8 Na8 O40 U4 -","4","1","","Krivovichev, S. V.; Finch, R. J.; Burns, P. C.","Crystal chemistry of uranyl molybdates. V. Topologically distinct uranyl dimolybdate sheets in the structures of Na2[(UO2)(MoO4)2] and K2[(UO2)(MoO4)2](H2O)","The Canadian Mineralogist","2002","40","","193","200","10.2113/gscanmin.40.1.193","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9004764","10.7662","","11.9621","","12.8995","","90","","90","","90","","1661.28","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- H4 Mo3 Na1.5 O15.5 Tl2.5 U -","- H3 Mo3 Na1.5 O15.5 Tl2.5 U -","- H12 Mo12 Na6 O62 Tl10 U4 -","4","1","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of uranyl molybdates. VIII. Crystal structures of Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1), Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4 Sample 3","The Canadian Mineralogist","2003","41","","707","719","10.2113/gscanmin.41.3.707","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005087","12.356","","12.762","","11.427","","90","","90","","90","","1801.89","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","Dinite","- C20 H36 -","- C20 H36 -","- C80 H144 -","4","1","","Franzini, L.; Pasero, M.; Perchiazzi, N.","Re-discovery and re-definition of dinite, C20H36, a forgotten organic mineral from Garfagnana, northern Tuscany, Italy Locality: Garfagnana, northern Tuscany, Italy","European Journal of Mineralogy","1991","3","","855","861","10.1127/ejm/3/5/0855","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005868","10.0443","","10.0735","","10.0036","","90","","90","","90","","1012.18","","","","4.2","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","Langbeinite","- K2 Mn2 O12 S3 -","- K2 Mn2 O12 S3 -","- K8 Mn8 O48 S12 -","4","1","","Oelkrug, H.; Bruckel, T.; Hohlwein, D.; Hoser, A.; Prandl, W.","The magnetic structure of the langbeinite K2Mn2(SO4)3 Sample at T = 4.2 K Note, there is something wrong with this dataset.","Physics and Chemistry of Minerals","1988","16","","246","249","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:43",""
"9006968","26.1753","","4.98437","","8.2006","","90","","90","","90","","1069.91","","","","388.15","","","","","","","","Synthetic","2","P 21 21 21","P 2ac 2ab","19","","","Tridymite","- O2 Si -","- O2 Si -","- O48 Si24 -","24","6","","Graetsch, H.","X-ray powder diffraction study on the modulated high temperature forms of SiO2 tridymite between 110 and 220 C Sample: superstructure, T = 115 C","Physics and Chemistry of Minerals","2001","28","","313","321","10.1007/s002690100160","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007483","11.868","","11.996","","6.857","","90","","90","","90","","976.221","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","Epsomite","- H14 Mg O11 S -","- H14 Mg O11 S -","- H56 Mg4 O44 S4 -","4","1","","Baur, W. H.","On the crystal chemistry of salt hydrates. IV. The refinement of the crystal structure of MgSO4*7H2O (epsomite) Note: Mg z-coordinate altered in order to reproduce Mg-O bond lengths","Acta Crystallographica","1964","17","11","1361","1369","10.1107/S0365110X64003449","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:21",""
"9007489","10.063","","10.522","","6.107","","90","","90","","90","","646.627","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Euchroite","- As Cu2 H7 O8 -","- As Cu2 H7 O8 -","- As4 Cu8 H28 O32 -","4","1","","Finney, J. J.","Refinement of the crystal structure of euchroite, Cu2(AsO4)(OH)*3H2O","Acta Crystallographica","1966","21","","437","440","10.1107/S0365110X66003104","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007519","18.331","","9.012","","5.949","","90","","90","","90","","982.769","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Ylid","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Christensen, A. T.; Thom, E.","The crystal structure of 2-dimenthylsulfuranylidene-1,3-indanedione","Acta Crystallographica, Section B","1971","27","","581","586","10.1107/S0567740871002590","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007547","8.413","","13.039","","6.219","","90","","90","","90","","682.206","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Cr H4 N Na O6 -","- Cr H4 N Na O6 -","- Cr4 H16 N4 Na4 O24 -","4","1","","Khan, A. A.; Baur, W. H.","Salt hydrates. VIII. The crystal structures of sodium ammonium orthochromate dihydrate and magnesium diammonium bis(hydrogen orthophosphate) tetrahydrate and a discussion of the ammonium ion","Acta Crystallographica, Section B","1972","28","","683","693","10.1107/S0567740872003024","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007578","7.723","","10.395","","6.716","","90","","90","","90","","539.164","","","","","","","","","","","","Daniel Mine, Wittichen, Baden, Germany","3","P 21 21 21","P 2ac 2ab","19","","","Wittichenite","- Bi Cu3 S3 -","- Bi Cu3 S3 -","- Bi4 Cu12 S12 -","4","1","","Kocman, V.; Nuffield, E. W.","The crystal structure of wittichenite, Cu3BiS3","Acta Crystallographica, Section B","1973","29","","2528","2535","10.1107/S0567740873006953","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007582","7.434","","7.434","","6.945","","90","","90","","90","","383.811","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","1","","Baur, W. H.","Reconstruction of local atomic environments in the disordered hydrogen-bonded crystal structures of paraelectric ammonium dihydrogen phosphate and potassium dihydrogen phosphate Note: known as KDP Note: polymorph of archerite","Acta Crystallographica, Section B","1973","29","","2726","2731","10.1107/S0567740873007454","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007583","7.4997","","7.4997","","7.5493","","90","","90","","90","","424.614","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H6 N O4 P -","- H6 N O4 P -","- H24 N4 O16 P4 -","4","1","","Baur, W. H.","Reconstruction of local atomic environments in the disordered hydrogen-bonded crystal structures of paraelectric ammonium dihydrogen phosphate and potassium dihydrogen phosphate Note: polymorph of biphosphammite","Acta Crystallographica, Section B","1973","29","","2726","2731","10.1107/S0567740873007454","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007731","7.514","","12.557","","4.888","","90","","90","","90","","461.199","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Muckeite","- Bi0.9 Cu Ni S3 Sb0.1 -","- Bi0.9 Cu Ni S3 Sb0.1 -","- Bi3.6 Cu4 Ni4 S12 Sb0.4 -","4","1","","Bente, K.; Doering, T.; Edenharter, A.; Kupcik, V.; Steins, M.; Wendschuh-Josties M","Structure of the new mineral muckeite, BiCuNiS3","Acta Crystallographica, Section C","1990","46","","127","128","10.1107/S0108270189008231","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007741","4.868","","6.736","","9.359","","90","","90","","90","","306.89","","","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- F H O3 S -","- F H O3 S -","- F4 H4 O12 S4 -","4","1","","Bartmann, K.; Mootz, D.","Structures of two strong Bronsted acids: (I) fluorosulfuric acid and (II) trifluoromethanesulfonic acid Sample: T = 123 K","Acta Crystallographica, Section C","1990","46","","319","320","10.1107/S0108270189010395","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:20:56",""
"9007765","9.22","","12.831","","13.906","","90","","90","","90","","1645.1","","","","213","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- As Na3 O15 S -","- As H24 Na3 O15 S -","- As4 H96 Na12 O60 S4 -","4","1","","Kempa, P. B.; Wiebcke, M.; Felsche, J.","Structure of trisodium monothioarsenate dodecahydrate Sample: T = 213 K","Acta Crystallographica, Section C","1990","46","","729","732","10.1107/S0108270189009650","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007771","7.914","","12.806","","14.357","","90","","90","","90","","1455.03","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 Cl4 Hf O2 -","- C8 H16 Cl4 Hf O2 -","- C32 H64 Cl16 Hf4 O8 -","4","1","","Duraj, S. A.; Towns, R. L. R.; Baker, R. J.; Schupp, J.","Structure of cis-tetrachlorobis(tetrahydrofuran)hafnium(IV)","Acta Crystallographica, Section C","1990","46","","890","892","10.1107/S010827018901382X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007796","14.38","","19.17","","8.28","","90","","90","","90","","2282.5","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 Br4 P2 Ta -","- C16 H22 Br4 P2 Ta -","- C64 H88 Br16 P8 Ta4 -","4","1","","Hovnanian, N.; Hubert-Pfalzgraf L G; Borgne, G. L.","Structures of two polymorphs of cis-TaBr4(PhPMe2)2 Sample: 2","Acta Crystallographica, Section C","1990","46","","1207","1209","10.1107/S0108270189011613","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007803","10.0673","","14.047","","7.0673","","90","","90","","90","","999.425","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- K2 O10 Si4 Zn -","- K2 O10 Si4 Zn -","- K8 O40 Si16 Zn4 -","4","1","","Kohara, S.; Kawahara, A.","Structure of synthetic dipotassium zinc tetrasilicate","Acta Crystallographica, Section C","1990","46","","1373","1376","10.1107/S0108270189013351","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007835","12.821","","12.537","","7.029","","90","","90","","90","","1129.82","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Ca H16 N2 O12 P3 -","- Ca H16 N2 O12 P3 -","- Ca4 H64 N8 O48 P12 -","4","1","","Averbuch-Pouchot M T","Crystal chemistry of cyclo-hexaphosphates. XII. structure of ammonium calcium cyclo-hexaphosphate hexahydrate","Acta Crystallographica, Section C","1990","46","","2005","2007","10.1107/S010827019000289X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007864","8.331","","8.899","","23.337","","90","","90","","90","","1730.15","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 O U -","- C21 H20 O U -","- C84 H80 O4 U4 -","4","1","","Spirlet, M. R.; Rebizant, J.; Apostolidis, C.; Van den Bossche, G.; Kanellakopulos, B.","Structure of Tris(n5-cyclopentadienyl)phenolatouranium(IV)","Acta Crystallographica, Section C","1990","46","","2318","2320","10.1107/S0108270190005054","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007874","7.499","","26.895","","4.705","","90","","90","","90","","948.931","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 N Na O3 S2 -","- C7 H6 N Na O3 S2 -","- C28 H24 N4 Na4 O12 S8 -","4","1","","Penavic, M.; Jovanovski, G.; Grupce, O.","Structure of sodium thiosaccharinate monohydrate","Acta Crystallographica, Section C","1990","46","","2341","2344","10.1107/S0108270190003559","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9008159","10.24","","11.98","","6.44","","90","","90","","90","","790.028","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- Cl4 H4 Li2 O2 Zn -","- Cl4 H4 Li2 O2 Zn -","- Cl16 H16 Li8 O8 Zn4 -","4","1","","Jacobi, H.; Brehler, B.","Die kristallstruktur des Li2ZnCl4*2H2O","Zeitschrift fur Kristallographie","1969","128","","390","405","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9008996","13.64","","7.85","","12.91","","90","","90","","90","","1382.32","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- B Cl -","- B Cl -","- B32 Cl32 -","32","8","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:29",""
"9009214","4.1","","13.17","","6.78","","90","","90","","90","","366.1","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Br Cl Hg -","- Br Cl Hg -","- Br4 Cl4 Hg4 -","4","1","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York","Crystal Structures","1963","1","","308","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009344","7.505","","9.037","","5.921","","90","","90","","90","","401.578","","","","","","","","","","","","Kamareza, Laurion, Greece","5","P 21 21 21","P 2ac 2ab","19","","","Austinite","- As Ca H O5 Zn -","- As Ca H O5 Zn -","- As4 Ca4 H4 O20 Zn4 -","4","1","","Giuseppetti, G.; Tadini, C.","The crystal structure of austinite, CaZn(AsO4)(OH), from Kamareza, Laurion (Greece) Locality: Kamareza, Laurion, Greece","Neues Jahrbuch fur Mineralogie, Monatshefte","1988","1988","","159","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9009360","5.836","","7.43","","9.347","","90","","90","","90","","405.3","","","","","","","","","","","","Molinello mine, Val Graveglia, Northern Appenines, Eastern Liguria, Italy","7","P 21 21 21","P 2ac 2ab","19","","","Tangeite","- As0.41 Ca0.924 Cu H O5 Pb0.076 V0.59 -","- As0.41 Ca0.924 Cu H O5 Pb0.076 V0.59 -","- As1.64 Ca3.696 Cu4 H4 O20 Pb0.304 V2.36 -","4","1","","Basso, R.; Palenzona, A.; Zefiro, L.","Crystal structure refinement of a Sr-bearing term related to copper vanadates and arsenates of adelite and descloizite groups Locality: Molinello mine, Val Graveglia, Northern Appenines, Eastern Liguria, Italy","Neues Jahrbuch fur Mineralogie, Monatshefte","1989","1989","","300","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009409","7.51","","9.004","","5.948","","90","","90","","90","","402.204","","","","","","","","","","","","Glucksstern min, Gottlob hill, Friedrichroda, Thuringia, Germany","6","P 21 21 21","P 2ac 2ab","19","","","Gottlobite","- As0.25 Ca H Mg O5 V0.75 -","- As0.25 Ca H Mg O5 V0.75 -","- As Ca4 H4 Mg4 O20 V3 -","4","1","","Witzke, T.; Steins, M.; Doering, T.; Kolitsch, U.","Gottlobite, CaMg(VO4,AsO4)(OH), a new mineral from Friedrichroda, Thuringia, Germany Locality: Glucksstern min, Gottlob hill, Friedrichroda, Thuringia, Germany","Neues Jahrbuch fur Mineralogie, Monatshefte","2000","2000","","444","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009424","7.646","","9.363","","6.077","","90","","90","","90","","435.049","","","","","","","","","","","","Tsumeb, Namibia","5","P 21 21 21","P 2ac 2ab","19","","","Arsendescloizite","- As H O5 Pb Zn -","- As H O5 Pb Zn -","- As4 H4 O20 Pb4 Zn4 -","4","1","","Keller, P.; Lissner, F.; Schleid, T.","The crystal structure of arsendescloizite, PbZn(OH)[AsO4], from Tsumeb (Namibia) Locality: Tsumeb, Namibia","Neues Jahrbuch fur Mineralogie, Monatshefte","2003","2003","","374","384","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009509","7.5092","","9.0438","","5.9343","","90","","90","","90","","403.008","","","","","","","","","","","","Sonora, Mexico","5","P 21 21 21","P 2ac 2ab","19","","","Austinite","- As Ca H O5 Zn -","- As Ca H O5 Zn -","- As4 Ca4 H4 O20 Zn4 -","4","1","","Clark, L. A.; Pluth, J. J.; Steele, I. M.; Smith, J. V.; Sutton, S. R.","Crystal structure of austinite, CaZn(AsO4)OH","Mineralogical Magazine","1997","61","","677","683","10.1180/minmag.1997.061.408.06","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009511","7.768","","9.211","","5.999","","90","","90","","90","","429.235","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Duftite","- As Cu H O5 Pb -","- As Cu H O5 Pb -","- As4 Cu4 H4 O20 Pb4 -","4","1","","Kharisun; Taylor, M. R.; Bevan, D. J. M.; Pring, A.","The crystal chemistry of duftite, PbCuAsO4(OH) and the beta-duftite problem Note: sample is synthetic","Mineralogical Magazine","1998","62","","121","130","10.1180/002646198547413","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009562","10.207","","13.241","","7.174","","90","","90","","90","","969.572","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","Umbite","- H2 K2 O10 Si3 Ti0.14 Zr0.86 -","- H2 K2 O10 Si3 Ti0.14 Zr0.86 -","- H8 K8 O40 Si12 Ti0.56 Zr3.44 -","4","1","","Ilyushin, G. D.","New data on the crystal structure of umbite K2ZrSi3O9*H2O","Izvestiya Akademii Nauk SSSR Neorganicheskie Materialy","1993","29","","971","975","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009593","6.634","","9.597","","7.428","","90","","90","","90","","472.915","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Teineite","- Cu H4 O5 Te -","- Cu H4 O5 Te -","- Cu4 H16 O20 Te4 -","4","1","","Effenberger, H.","Verfeinerung der kristallstruktur von synthetischem teineit CuTeO3*2(H2O) Note: Synthetic sample.","Tschermaks Mineralogische und Petrographische Mitteilungen","1977","24","","287","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009796","4.62","","7.039","","4.535","","90","","90","","90","","147.479","","","","","","","","","","","","","3","P 21 21 21","","","","","Behoite","- Be H2 O2 -","- Be H2 O2 -","- Be4 H8 O8 -","4","1","","Seitz, A.; Rosler, U.; Schubert, K.","Kristallstruktur von beta-Be(OH)2","Zeitschrift fur Anorganische und Allgemeine Chemie","1950","261","","94","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9009799","8.646","","8.449","","4.626","","90","","90","","90","","337.93","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- As2 O5 -","- As2 O5 -","- As8 O20 -","4","1","","Jansen, M.","Die kristallstruktur von As2O5, eine neue raumnetzstruktur","Zeitschrift fur Anorganische und Allgemeine Chemie","1978","441","","5","12","10.1002/zaac.19784410101","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009892","9.11","","18.032","","5.6923","","90","","90","","90","","935.083","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","Gatehouseite","- H4 Mn5 O12 P2 -","- H4 Mn5 O12 P2 -","- H16 Mn20 O48 P8 -","4","1","","Ruszala, F. A.; Anderson, J. B.; Kostiner, E.","Crystal structures of two isomorphs of arsenoclasite: Co5(PO4)2(OH)4 and Mn5(PO4)2(OH)4","Inorganic Chemistry","1977","16","","2417","2422","10.1021/ic50175a051","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9009893","8.903","","17.397","","5.5154","","90","","90","","90","","854.255","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- Co5 H4 O12 P2 -","- Co5 H4 O12 P2 -","- Co20 H16 O48 P8 -","4","1","","Ruszala, F. A.; Anderson, J. B.; Kostiner, E.","Crystal structures of two isomorphs of arsenoclasite: Co5(PO4)2(OH)4 and Mn5(PO4)2(OH)4 Locality: synthetic","Inorganic Chemistry","1977","16","","2417","2422","10.1021/ic50175a051","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010743","11.897133","","11.90851","","6.78729","","90","","90","","90","","961.604","","","","2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Epsomite (deuterated)","- D14 Mg O11 S -","- D14 Mg O11 S -","- D56 Mg4 O44 S4 -","4","1","","Fortes, A. D.; Wood, I. G.; Alfredsson, M.; Vocadlo, L.; Knight, K. S.","The thermoelastic properties of MgSO4*7D2O (epsomite) from powder neutron diffraction and ab initio calculation Locality: synthetic Sample: T = 2 K","European Journal of Mineralogy","2006","18","","449","462","10.1127/0935-1221/2006/0018-0449","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:45",""
"9011107","5.394","","12.95","","8.72","","90","","90","","90","","609.112","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Nd2 O7 Si2 -","- Nd2 O7 Si2 -","- Nd8 O28 Si8 -","4","1","","Smolin, Y. I.; Shepelev, Y. F.","The crystal structures of the rare earth pyrosilicates","Acta Crystallographica, Section B","1970","26","","484","492","10.1107/S0567740870002698","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011395","7.4919","","8.9946","","5.9158","","90","","90","","90","","398.646","","","","","","","","","","","","Dome Rock, Mingary, South Australia, Australia","6","P 21 21 21","P 2ac 2ab","19","","","Cobaltaustinite","- As Ca Co0.95 Cu0.05 H O5 -","- As Ca Co0.95 Cu0.05 H O5 -","- As4 Ca4 Co3.8 Cu0.2 H4 O20 -","4","1","","Yang, H.; Costin, G.; Keogh, J.; Lu, R.; Downs, R. T.","Cobaltaustinite, CaCo(AsO4)(OH)","Acta Crystallographica, Section E","2007","63","","i53","i55","10.1107/S1600536807003029","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011513","8.828","","6.821","","15.25","","90","","90","","90","","918.291","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Mg Na O4 P -","- Mg12 Na12 O48 P12 -","- Mg12 Na12 O48 P12 -","","","","Alkemper, J.; Fuess, H.","The crystal structures of NaMgPO~4~, Na~2~CaMg(PO~4~)~2~ and Na~18~Ca~13~Mg~5~(PO~4~)~18~: new examples for glaserite related structures","Zeitschrift für Kristallographie","1998","213","5","282","287","10.1524/zkri.1998.213.5.282","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:26:29",""
"9011811","5.1465","","9.014","","9.315","","90","","90","","90","","432.128","","","","","","","","","","","","Synthetic","3","P 21 21 21","P 2ac 2ab","19","","","Shannonite","- C O4 Pb2 -","- C4 O16 Pb8 -","- C4 O16 Pb8 -","","","","Krivovichev, S. V.; Burns, P. C.","Crystal chemistry of basic lead carbonates. I. Crystal structure of synthetic shannonite, Pb2O(CO3) Locality: synthetic","Mineralogical Magazine","2000","64","","1063","1068","10.1180/002646100550065","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:04",""
"9011883","11.768","","12.021","","6.758","","90","","90","","90","","956.008","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","Morenosite","- H14 Ni O11 S -","- H14 Ni O11 S -","- H56 Ni4 O44 S4 -","4","1","","Iskhakova, L. D.; Dubrovinskii, L. S.; Charushnikova, I. A.","Crystal structure, theoretical parameters of potential of atomic interaction (PPAI), and thermochemical properties of NiSO4*nH2O (n=7,6)","Soviet Physics Crystallography","1991","36","","360","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:27:04",""
"9012218","9.277","","9.339","","11.245","","90","","90","","90","","974.243","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H In2 K2 O10 P2 -","- H In2 K2 O10 P2 -","- H4 In8 K8 O40 P8 -","4","1","","Hriljac, J. A.; Grey, C. P.; Cheetham, A. K.; VerNooy, P. D.; Torardi, C. C.","Synthesis and structure of KIn(OH)PO4: Chains of hydroxide-bridged InO4(OH)2 octahedra","Journal of Solid State Chemistry","1996","123","","243","248","10.1006/jssc.1996.0174","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9012333","21.152","","11.441","","7.581","","90","","90","","90","","1834.6","","","","","","","","","","","","Synthetic","1","P 21 21 21","P 2ac 2ab","19","","","Sulfur","- S18 -","- S72 -","- S72 -","","","","Schmidt, V. M.; Wilhelm, E.; Debaerdemaeker, T.; Hellner, E.; Kutoglu, A.","Darstellung und kristallstruktur von cyclooktadekaschwefel, S18, und cycloikosaschwefel, S20 Note: structure for S18","Zeitschrift fur Anorganische und Allgemeine Chemie","1974","405","","153","162","10.1002/zaac.19744050204","","","","","","","","","","","","","","","","","","","","","has coordinates","282067","2023-03-26","07:49:22",""
"9012343","9.1607","","8.7524","","4.9035","","90","","90","","90","","393.153","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- As O5 Sb -","- As4 O20 Sb4 -","- As4 O20 Sb4 -","","","","Jansen, M.; Begemann, B.; Geb, J.","Mischkristallbildung in den systemen As2O5/SbAsO5 und As2O5/AsPO5 bestimmung der spontanen deformationen und verfeinerung der kristallstrukturen der ternaren randphasen","Zeitschrift fur Anorganische und Allgemeine Chemie","1992","610","","139","144","10.1002/zaac.19926100123","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012344","8.417","","8.171","","4.536","","90","","90","","90","","311.965","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- As O5 P -","- As4 O20 P4 -","- As4 O20 P4 -","","","","Jansen, M.; Begemann, B.; Geb, J.","Mischkristallbildung in den Systemen As2O5/SbAsO5 und As2O5/AsPO5: bestimmung der spontanen deformationen und verfeinerung der kristallstrukturen der ternaren randphasen","Zeitschrift fur Anorganische und Allgemeine Chemie","1992","610","","139","144","10.1002/zaac.19926100123","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:29:59",""
"9012353","4.5356","","4.6317","","7.0379","","90","","90","","90","","147.849","","","","245","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Behoite (deuterated)","- Be D2 O2 -","- Be4 D8 O8 -","- Be4 D8 O8 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 245 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012354","4.526","","4.6318","","7.0192","","90","","90","","90","","147.147","","","","50","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Behoite (deuterated)","- Be D2 O2 -","- Be4 D8 O8 -","- Be4 D8 O8 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 50 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012355","4.5259","","4.6314","","7.0193","","90","","90","","90","","147.133","","","","5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Behoite (deuterated)","- Be D2 O2 -","- Be4 D8 O8 -","- Be4 D8 O8 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 5 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012356","4.90855","","5.14641","","8.488","","90","","90","","90","","214.419","","","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Wulfingite (deuterated)","- D2 O2 Zn -","- D8 O8 Zn4 -","- D8 O8 Zn4 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 298 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012357","4.88877","","5.12854","","8.5029","","90","","90","","90","","213.187","","","","120","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Wulfingite","- D2 O2 Zn -","- D8 O8 Zn4 -","- D8 O8 Zn4 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 120 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012358","4.88626","","5.12609","","8.5066","","90","","90","","90","","213.068","","","","50","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Wulfingite","- D2 O2 Zn -","- D8 O8 Zn4 -","- D8 O8 Zn4 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 50 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012359","4.88564","","5.12565","","8.50702","","90","","90","","90","","213.033","","","","5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Wulfingite","- D2 O2 Zn -","- D8 O8 Zn4 -","- D8 O8 Zn4 -","","","","Jacobs, H.; Niemann, A.; Kockelmann, W.","Low temperature investigations of hydrogen bridge bonds in the hydroxides beta-Be(OH)2 and epsilon-Zn(OH)2 by Raman-spectroscopy as well as X-ray and neutron diffraction Locality: synthetic Sample: T = 5 K","Zeitschrift fur Anorganische und Allgemeine Chemie","2005","631","","1247","1254","10.1002/zaac.200500030","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012418","13.902","","8.892","","13.952","","90","","90","","90","","1724.7","","","","","","","","","","","","","5","P 21 21 21","","","","","Gismondine","- Al2 Ca H4 O10 Si2 -","- Al2 Ca H4 O10 Si2 -","- Al16 Ca8 H32 O80 Si16 -","8","2","","Vezzalini, G.; Quartieri, S.; Alberti, A.","Structural modifications induced by dehydration in the zeolite gismondine Locality: Montalto di Castro, Italy Sample: dehydration t = 24 hr","Zeolites","1993","13","","34","42","10.1016/0144-2449(93)90020-4","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9012622","10.124","","14.794","","10.132","","90","","90","","90","","1517.52","","","","","","","","","","","","Khibini alkaline massif, Kola Peninsula, Russia","4","P 21 21 21","P 2ac 2ab","19","","","Olympite","- Li Na5 O8 P2 -","- Li8 Na40 O64 P16 -","- Li8 Na40 O64 P16 -","","","","Rastsvetaeva, R. K.; Khomyakov, A. P.","A comparative crystal-chemical study of the lithium-sodium phosphates (lithiophosphate, nalipoite, olympite, and Na3PO4) Note: O5(y) made negative to match reported bond distances","Crystallography Reports","1994","39","","35","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:12",""
"9012715","6.087","","13.813","","5.597","","90","","90","","90","","470.594","","","","","","","","","","","","Kalabi, Jadotville, Katanga","4","P 21 21 21","P 2ac 2ab","19","","","Garhardtite","- Cu2 H3 N O6 -","- Cu8 H12 N4 O24 -","- Cu8 H12 N4 O24 -","","","","Bovio, B.; Locchi, S.","Crystal structure of the orthorhombic basic copper nitrate, Cu2(OH)3NO3","Journal of Crystallographic and Spectroscopic Research","1982","12","","507","517","10.1007/BF01160904","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:12",""
"9012798","7.468","","8.953","","5.941","","90","","90","","90","","397.221","","","","","","","","","","","","Langban, Sweden","6","P 21 21 21","P 2ac 2ab","19","","","Adelite","- As0.931 Ca H Mg O5 P0.069 -","- As3.7248 Ca4 H4 Mg4 O20 P0.2752 -","- As3.7248 Ca4 H4 Mg4 O20 P0.2752 -","","","","Effenberger, H.; Krause, W.; Bernhardt, H. J.","Structural investigations of adelite and cobaltaustinite, two members of the adelite-descloizite group","Experimental Mineralogy, Petrology and Geochemistry Abstract Volume","2002","9","","30","30","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:34",""
"9012846","8.646","","8.45","","4.626","","90","","90","","90","","337.97","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- As2 O5 -","- As8 O20 -","- As8 O20 -","","","","Jansen, M.","Kristallstruktur von As2O5","Angewandte Chemie","1977","89","","326","327","10.1002/ange.19770890511","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:34",""
"9013406","11.82","","12.02","","6.81","","90","","90","","90","","967.54","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Morenosite","- H14 Ni O11 S -","- H14 Ni O11 S -","- H56 Ni4 O44 S4 -","4","1","","Beevers, C. A.; Schwartz, C. M.","The crystal structure of nickel sulphate heptahydrate NiSO4*7H2O Note: hydrogen positions from Acta Crystallographica B24 (1968) 1131-1133 Note: all atoms shifted .25, 0, 0","Zeitschrift fur Kristallographie","1935","91","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013441","7.7152","","12.838","","4.9248","","90","","90","","90","","487.79","","","","","","","","","","","","Yanshan Mountains, Hebei, China","4","P 21 21 21","P 2ac 2ab","19","","","Lisiguangite","- Bi Cu Pt S3 -","- Bi4 Cu4 Pt4 S12 -","- Bi4 Cu4 Pt4 S12 -","","","","Yu, Z.; Cheng, F.; Ma, H.","Lisiguangite, CuPtBiS3, a new platinum-group mineral from the Yanshan Mountains, Hebei, China Locality: Yanshan Mountains, Hebei, China","Acta Geologica Sinica","2009","83","","238","244","10.1111/j.1755-6724.2009.00040.x","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013493","26.163","","4.987","","8.199","","90","","90","","90","","1069.76","","","","413","","","","","","","","Synthetic","2","P 21 21 21","P 2ac 2ab","19","","","Tridymite","- O2 Si -","- O48 Si24 -","- O48 Si24 -","","","","Hirose, T.; Kihara, K.; Okuno, M.; Fujinami, S.; Shinoda, K.","X-ray, DTA and Raman studies of monoclinic tridymite and its higher temperature orthorhombic modification with varying temperature. Note: T = 413 K","Journal of Mineralogical and Petrological Sciences","2005","100","","55","69","10.2465/jmps.100.55","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:31:36",""
"9013618","8.8932","","8.4881","","12.4401","","90","","90","","90","","939.058","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Sanderite","- H4 Mg O6 S -","- Mg O6 S -","- Mg8 O48 S8 -","8","2","","Ma, H.; Bish, D. L.; Wang, H. W.; Chipera, S. J.","Determination of the crystal structure of sanderite, MgSO4*2H2O, by X-ray powder diffraction and the charge flipping method Locality: synthetic Note: x-coordinate of O4 changed by the author","American Mineralogist","2009","94","","622","625","10.2138/am.2009.3110","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:28",""
"9013995","3.786","","10.916","","23.379","","90","","90","","90","","966.207","","","","","","","","","","","","Gumeshevsk Deposit the Urals","5","P 21 21 21","P 2ac 2ab","19","","","Fukalite dimorph","- C H2 Ca4 O10.99 Si1.98 -","- C H2 Ca4 O10.99 Si1.98 -","- C4 H8 Ca16 O43.96 Si7.92 -","4","1","","Rastsvetaeva, R. K.; Bolotina, N. B.; Zadov, A. E.; Chukanov, N. V.","Crystal structure of fukalite dimorph Ca4[Si2O6](CO3)(OH)2 from the Gumeshevsk Deposit the Urals","Doklady Earth Sciences","2005","","","1347","1351","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014489","7.0755","","4.8739","","8.4471","","90","","90","","90","","291.301","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Gd O4 -","- C H Gd O4 -","- C4 H4 Gd4 O16 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014623","6.666","","9.169","","7.373","","90","","90","","90","","450.642","","","","","","","","","","","","Baccu Locci, Sardinia, Italy","4","P 21 21 21","P 2ac 2ab","19","","","Chalcomenite","- Cu H4 O5 Se -","- Cu4 H16 O20 Se4 -","- Cu4 H16 O20 Se4 -","","","","Pasero, M.; Perchiazzi, N.","Chalcomenite from Baccu Locci, Sardinia, Italy: mineral data and structure refinement","Neues Jahrbuch fur Mineralogie, Monatshefte","1989","1989","","551","556","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014709","7.1002","","4.8932","","8.453","","90","","90","","90","","293.68","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Eu O4 -","- C H Eu O4 -","- C4 H4 Eu4 O16 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014803","4.5328","","4.6252","","7.0379","","90","","90","","90","","147.55","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Behoite","- Be H2 O2 -","- Be4 H8 O8 -","- Be4 H8 O8 -","","","","Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H.","Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: combined X-ray and Neutron diffraction","Zeitschrift fur Anorganische und Allgemeine Chemie","1998","624","","1130","1136","10.1002/(SICI)1521-3749(199807)624:7<1130::AID-ZAAC1130>3.0.CO;2-G","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014825","6.9591","","4.8141","","8.4722","","90","","90","","90","","283.834","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H O4 Y -","- C H O4 Y -","- C4 H4 O16 Y4 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014848","7.3849","","5.8379","","9.1937","","90","","90","","90","","396.362","","","","","","","","","","","","Higgins mine, Arizona, USA","6","P 21 21 21","P 2ac 2ab","19","","","Conichalcite","- As Ca Cu0.96 H Mg0.04 O5 -","- As4 Ca4 Cu3.84 H4 Mg0.16 O20 -","- As4 Ca4 Cu3.84 H4 Mg0.16 O20 -","","","","Sakai, S.; Yoshiasa, A.; Sugiyama, K.; Miyawaki, R.","Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH)","Journal of Mineralogical and Petrological Sciences","2009","104","","125","131","10.2465/jmps.080430","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014857","4.976","","5.023","","7.115","","90","","89.89","","90","","177.835","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H6 Mg O6 Si -","- H24 Mg4 O24 Si4 -","- H24 Mg4 O24 Si4 -","","","","Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S.","The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, LDA from P2_12_12_1","American Mineralogist","2012","97","","1043","1048","10.2138/am.2012.4022","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014914","17.9733","","5.6916","","9.13","","90","","90","","90","","933.97","","","","","","","","","","","","Iron Monarch quarry, Iron Knob, South Australia, Australia","6","P 21 21 21","P 2ac 2ab","19","","","Gatehouseite","- As0.06 H4 Mn5 O12 P1.76 Si0.18 -","- As0.24 H16 Mn20 O48 P7.04 Si0.72 -","- As0.24 H16 Mn20 O48 P7.04 Si0.72 -","","","","Elliott, P.; Pring, A.","The crystal structure of gatehouseite","Mineralogical Magazine","2011","75","","2823","2832","10.1180/minmag.2011.075.6.2823","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015158","4.5336","","4.6255","","7.0384","","90","","90","","90","","147.596","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Behoite","- Be D2 O2 -","- Be4 D8 O8 -","- Be4 D8 O8 -","","","","Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H.","Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: Neutron diffraction","Zeitschrift fur Anorganische und Allgemeine Chemie","1998","624","","1130","1136","10.1002/(SICI)1521-3749(199807)624:7<1130::AID-ZAAC1130>3.0.CO;2-G","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015295","6.9028","","4.7833","","8.5086","","90","","90","","90","","280.938","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H O4 Tm -","- C H O4 Tm -","- C4 H4 O16 Tm4 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015327","10.506","","10.506","","6.103","","90","","90","","90","","673.625","","","","","","","","","","","","Coller cliff, Montana, USA","4","P 21 21 21","P 2ac 2ab","19","","","Euchroite","- As Cu2 H7 O8 -","- As Cu2 H7 O8 -","- As4 Cu8 H28 O32 -","4","1","","Eby, R. K.; Hawthorne, F. C.","Euchroite, a heteropolyhedral framework structure","Acta Crystallographica, Section C","1989","45","","1479","1482","10.1107/S0108270189003148","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015477","5.1943","","9.6198","","11.6746","","90","","90","","90","","583.358","","","","","","","","","","","","Otto Mountain, Baker, California","5","P 21 21 21","P 2ac 2ab","19","","","Paratimroseite","- Cu2 H2 O7 Pb Te -","- Cu2 H2 O7 Pb Te -","- Cu8 H8 O28 Pb4 Te4 -","4","1","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.; Thorne, B.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: V. Timroseite, Pb2Cu2+5(Te6+O6)2(OH)2, and paratimroseite, Pb2Cu2+4(Te6+O6)2(H2O)2, two new tellurates with Te-Cu polyhedral sheets","American Mineralogist","2010","95","","1560","1568","10.2138/am.2010.3514","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015545","4.905","","5.143","","8.473","","90","","90","","90","","213.743","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Wulfingite","- H2 O2 Zn -","- H8 O8 Zn4 -","- H8 O8 Zn4 -","","","","Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H.","Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: X-ray single-crystal","Zeitschrift fur Anorganische und Allgemeine Chemie","1998","624","","1130","1136","10.1002/(SICI)1521-3749(199807)624:7<1130::AID-ZAAC1130>3.0.CO;2-G","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015629","4.53","","4.621","","7.048","","90","","90","","90","","147.537","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","Behoite","- Be H2 O2 -","- Be4 H8 O8 -","- Be4 H8 O8 -","","","","Stahl, R.; Jung, C.; Lutz, H. D.; Kockelmann, W.; Jacobs, H.","Kristallstrukturen und Wasserstoffbruckenbindungen bei beta-Be(OH)2 und epsilon-Zn(OH)2 Note: X-ray single-crystal","Zeitschrift fur Anorganische und Allgemeine Chemie","1998","624","","1130","1136","10.1002/(SICI)1521-3749(199807)624:7<1130::AID-ZAAC1130>3.0.CO;2-G","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015908","6.9583","","4.8121","","8.4558","","90","","90","","90","","283.134","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Ho O4 -","- C H Ho O4 -","- C4 H4 Ho4 O16 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9015977","7.1362","","9.9084","","12.9414","","90","","90","","90","","915.065","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- K2 O10 Si3 Ti -","- K8 O40 Si12 Ti4 -","- K8 O40 Si12 Ti4 -","","","","Dadachov, M.; Le Bail, A.","Structure of zeolitic K2TiSi3O9*(H2O) determined ab initio from powder diffraction data _cod_database_code 1000136","European Journal of Solid State and Inorganic Chemistry","1997","34","","381","390","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016089","7.0256","","4.8577","","8.4657","","90","","90","","90","","288.92","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H O4 Tb -","- C H O4 Tb -","- C4 H4 O16 Tb4 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016258","7.429","","5.852","","9.215","","90","","90","","90","","400.618","","","","","","","","","","","","Gozaisho mine, Fukushima, Japan","6","P 21 21 21","P 2ac 2ab","19","","","Conichalcite","- As Ca Cu0.87 H Mg0.13 O5 -","- As4 Ca4 Cu3.48 H4 Mg0.52 O20 -","- As4 Ca4 Cu3.48 H4 Mg0.52 O20 -","","","","Sakai, S.; Yoshiasa, A.; Sugiyama, K.; Miyawaki, R.","Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH)","Journal of Mineralogical and Petrological Sciences","2009","104","","125","131","10.2465/jmps.080430","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016264","6.9386","","4.7963","","8.4863","","90","","90","","90","","282.421","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Er O4 -","- C H Er O4 -","- C4 H4 Er4 O16 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016350","9.7128","","10.1352","","11.8919","","90","","90","","90","","1170.65","","","","","","","","","","","","Kvanefjeld, Ilimaussaq alkaline complex, South Greenland","5","P 21 21 21","P 2ac 2ab","19","","","Nabesite","- Be H7.532 Na2 O13.766 Si4 -","- Be H7.532 Na2 O13.766 Si4 -","- Be4 H30.128 Na8 O55.064 Si16 -","4","1","","Armstrong, J. A.; Friis, H.; Lieb, A.; Finch, A. A.; Weller, M. T.","Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals","American Mineralogist","2010","95","","519","526","10.2138/am.2010.3276","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9016368","5.173","","5.21","","7.371","","90","","89.88","","90","","198.658","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- H6 Mg O6 Si -","- H24 Mg4 O24 Si4 -","- H24 Mg4 O24 Si4 -","","","","Wunder, B.; Jahn, S.; Koch-Muller M; Speziale, S.","The 3.65 A phase, MgSi(OH)6: structural insights from DFT-calculations and T-dependent IR spectroscopy Note: theoretical structure, GGA from P2_12_12_1","American Mineralogist","2012","97","","1043","1048","10.2138/am.2012.4022","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016606","7.328","","9.123","","5.769","","90","","90","","90","","385.677","","","","","","","","","","","","Tsumeb, Namibia","6","P 21 21 21","P 2ac 2ab","19","","","Hermannroseite","- As0.5 Ca Cu H O5 P0.5 -","- As0.5 Ca Cu H O5 P0.5 -","- As2 Ca4 Cu4 H4 O20 P2 -","4","1","","Schluter, J.; Pohl, D.; Gebhard, G.","The new mineral hermannroseite, CaCu(PO4,AsO4)(OH), the phosphate analogue of conichalcite, from Tsumeb, Namibia","Neues Jahrbuch fur Mineralogie, Abhandlungen","2011","188","","135","140","10.1127/0077-7757/2011/0186","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016652","6.9813","","4.8336","","8.4449","","90","","90","","90","","284.972","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","","- C H Dy O4 -","- C H Dy O4 -","- C4 H4 Dy4 O16 -","4","1","","Tahara, T.; Nakai, I.; Miyawaki, R.; Matsubara, S.","Crystal chemistry of RE(CO3)OH","Zeitschrift fur Kristallographie","2007","222","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016796","7.265","","20.522","","7.12","","90","","90","","90","","1061.54","","","","","","","","","","","","Sierra Gorda, Chile","5","P 21 21 21","P 2ac 2ab","19","","","Sideronatrite","- Fe H7 Na2 O12 S2 -","- Fe H7 Na2 O12 S2 -","- Fe4 H28 Na8 O48 S8 -","4","1","","Scordari, F.; Ventruti, G.","Sideronatrite, Na2Fe(SO4)2(OH)*3H2O: Crystal structure of the orthorhombic polytype and OD character analysis","American Mineralogist","2009","94","","1679","1686","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016968","13.6801","","10.467","","13.8667","","90","","90","","90","","1985.57","","","","348.15","","","","","","","","Rio Pian del Foco, Genova province, Italy","5","P 21 21 21","P 2ac 2ab","19","","","Gismondine","- Al2 Ca H6 O11 Si2 -","- Al2 Ca H6 O11 Si2 -","- Al16 Ca8 H48 O88 Si16 -","8","2","","Wadoski-Romeijn E; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 75 C, Phase B, Path 1","American Mineralogist","2013","98","","1988","1997","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016969","13.9014","","8.9469","","13.9697","","90","","90","","90","","1737.47","","","","423.15","","","","","","","","Rio Pian del Foco, Genova province, Italy","5","P 21 21 21","P 2ac 2ab","19","","","Gismondine","- Al4 Ca1.941 H8 O20 Si4 -","- Al4 Ca1.941 H8 O20 Si4 -","- Al16 Ca7.764 H32 O80 Si16 -","4","1","","Wadoski-Romeijn E; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 150 C, Phase C, Path 1","American Mineralogist","2013","98","","1988","1997","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017208","12.356","","12.762","","11.427","","90","","90","","90","","1801.89","","","","","","","","","","","","Garfagnana, northern Tuscany, Italy","1","P 21 21 21","P 2ac 2ab","19","","","Dinite","- C5 -","- C80 -","- C80 -","","","","Franzini, L.; Pasero, M.; Perchiazzi, N.","Re-discovery and re-definition of dinite, C20H36, a forgotten organic mineral from Garfagnana, northern Tuscany, Italy","European Journal of Mineralogy","1991","3","","855","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:33",""
"9017386","9.963","","10.4348","","4.7044","","90","","90","","90","","489.078","","","","","","","","","","","","Khibiny massif, Kola Peninsula, Russia","4","P 21 21 21","P 2ac 2ab","19","","","Lisitsynite","- B K O6 Si2 -","- B4 K4 O24 Si8 -","- B4 K4 O24 Si8 -","","","","Sokolova, E. V.; Uvarova Yu, A.; Hawthorne, F. C.; Khomyakov, A. P.","First edition. A A Balkema, Rotterdam, Netherlands Crystal chemistry of a novel zeolite mineral from the Kbibiny Alkaline Massif, Kolal Peninsula","Applied Mineralogy in Research, Economy, Technology, and Culture","2000","1","","254","248","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58",""
"9017411","4.3668","","6.5831","","8.4282","","90","","90","","90","","242.286","","","","","","","","","","","","theoretical","3","P 21 21 21","P 2ac 2ab","19","","","Vaterite","- C Ca O3 -","- C4 Ca4 O12 -","- C4 Ca4 O12 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","A new structural model for disorder in vaterite from first-principles calculations","CrystEngComm","2012","14","","44","47","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:23",""
"9017505","7.22","","7.09","","7.3","","90","","90","","90","","373.686","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","Cristobalite","- O2 Si -","- O16 Si8 -","- O16 Si8 -","","","","Le Bail, A.","Modelling the silica glass structure by the Rietveld method Note: model for amorphous silica based on cristobalite-type topology","Journal of Non-Crystalline Solids","1995","183","","39","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:03",""
"9017540","11.728","","11.973","","6.772","","90","","90","","90","","950.92","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","Goslarite","- H14 O11 S Zn -","- H14 O11 S Zn -","- H56 O44 S4 Zn4 -","4","1","","Anderson, J. L.; Peterson, R. C.; Swaison, I. P.","Combined neutron powder and X-ray single-crystal diffraction refinement of the atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O) Note: Single crystal X-ray diffraction","Mineralogical Magazine","2005","69","","259","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017541","11.8176","","12.0755","","6.827","","90","","90","","90","","974.236","","","","","","","","","","","","Synthetic","4","P 21 21 21","P 2ac 2ab","19","","","Goslarite","- H14 O11 S Zn -","- H14 O11 S Zn -","- H56 O44 S4 Zn4 -","4","1","","Anderson, J. L.; Peterson, R. C.; Swaison, I. P.","Combined neutron powder and X-ray single-crystal diffraction refinement of the atomic structure and hydrogen bonding of goslarite (ZnSO4*7H2O) Note: Combined neutron powder X-ray refinement","Mineralogical Magazine","2005","69","","259","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017593","3.55645","","6.35194","","19.2534","","90","","90","","90","","434.941","","","","","","","","","","","","Fuka, Okayama Prefecture, Japan","3","P 21 21 21","P 2ac 2ab","19","","","Shimazakiite","- B2 Ca2 O5 -","- B8 Ca8 O20 -","- B8 Ca8 O20 -","","","","Kusachi, I.; Kobayashi, S.; Takechi, Y.; Nakamuta, Y.; Nagase, T.; Yokoyama, K.; Momma, K.; Miyawaki, R.; Shigeoka, M.; Matsubara, S.","Shimazakiite-4M and shimazakiite-4O, Ca2B2O5, two polytypes of a new mineral from Fuka, Okayama Prefecture, Japan Note: polytype Shimazakiite-4O","Mineralogical Magazine","2013","77","","93","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:09:17",""
"9017757","5.0052","","7.9921","","13.5969","","90","","90","","90","","543.904","","","","","","","","","","","","Roter Bar mine, Harz Mountains, Germany","4","P 21 21 21","P 2ac 2ab","19","","","Roterbarite","- Bi Cu Pd Se3 -","- Bi4 Cu4 Pd4 Se12 -","- Bi4 Cu4 Pd4 Se12 -","","","","Vymazalova, A.; Cabral, A. R.; Laufek, F.; Liebmann, W.; Stanley, C. J.; Lehmann, B.","Roterbarite, PdCuBiSe3, a new mineral species from the Roter Bar mine, Harz Mountains, Germany","Mineralogy and Petrology","2020","114","","443","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:20",""
"9017834","7.77","","9.209","","5.995","","90","","90","","90","","428.966","","","","","","","","","","","","Cassiterite-sulfide field, Festivalnyi, East Siberia, Russia","5","P 21 21 21","P 2ac 2ab","19","","","Duftite","- As Cu H O5 Pb -","- As Cu H O5 Pb -","- As4 Cu4 H4 O20 Pb4 -","4","1","","Sokolova, E. V.; Egorov-Tismenko Y K","Study of crystalline structures of rare arsenates: duftite and mimetite","Vestnik Moskovskogo Universiteta Geologiya","1982","37","","50","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017892","11.8664","","12.015","","6.8598","","90","","90","","90","","978.035","","","","","","","","","","","","Fornovolasco, Apuan Alps, Tuscany, Italy","5","P 21 21 21","P 2ac 2ab","19","","","Epsomite","- Fe0.17 H14 Mg0.83 O11 S -","- Fe0.17 H14 Mg0.83 O11 S -","- Fe0.68 H56 Mg3.32 O44 S4 -","4","1","","Mauro, D.; Biagioni, C.; Pasero, M.; Skogby, H.","Crystal-chemistry of sulfates From the Apuan Alps (Tuscany, Italy). III. Mg-rich sulfate assemblages from the Fornovolasco mining complex","Atti della Societa Toscana di Scienze Naturali, Memorie, Serie A","2019","126","","33","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:49",""
"9017907","9.837","","10.517","","18.7594","","90","","90","","90","","1940.77","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","Artesunate","- C19 O8 -","- C76 O32 -","- C76 O32 -","","","","Lisgarte, J. N.; Potter, B.; Palmer, R. A.; Chimanuka, B.; Aymami, J.","Structure, absolute configuration, and conformation of the antimalarial drug artesunate","Journal of Chemical Crystallography","2002","32","","43","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:29",""
"9017916","7.2226","","7.393","","20.0542","","90","","90","","90","","1070.83","","","","","","","","","","","","Alcaparrosa mine, Chile","4","P 21 21 21","P 2ac 2ab","19","","","Parabutlerite","- Fe H5 O7 S -","- Fe H5 O7 S -","- Fe8 H40 O56 S8 -","8","2","","Plasil, J.; Petricek, V.; Majzlan, J.","A commensurately modulated structure of parabutlerite, Fe3+SO4(OH)*2H2O","Acta Crystallographica, Section B","2017","73","","856","862","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""